smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC(=O)[C@H]1CN(C(=O)CSc2ccc(O)cc2)c2ccccc2O1 47895473 TZCZDAGFTLOBEN-MRXNPFEDSA-N 358.419 2.025 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 105928918 KOYDMSFKNYFJQO-GZCFXPHUSA-N 356.513 2.487 0 40 FEAB O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)Nc1ccc(Cl)cc1 3274223 ZGOBHHPNANFOPK-UHFFFAOYSA-N 357.753 2.387 0 40 FEAB Cc1ccc(C[C@H](NC(=O)C(=O)Nc2cnn(C)c2)c2ccccn2)cc1 79094594 FZSDNEZSOKJRIO-SFHVURJKSA-N 363.421 2.162 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC 2132908 WWWDAHVNLIIAGH-ZFWWWQNUSA-N 354.406 2.125 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CC2)s1 3552831 AANDWPIFGJDSKS-UHFFFAOYSA-N 356.407 2.430 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1C 4550060 ZITWZMBSRZTPNG-UHFFFAOYSA-N 370.361 2.219 0 40 FEAB COc1ccc(C(=O)NCC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1 57335205 LQWURSGDJNMOTM-LBPRGKRZSA-N 362.376 2.451 0 40 FEAB CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 6366323 YUJGENHUVQPFMW-UHFFFAOYSA-N 363.483 2.176 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCCC1 10009911 AHOIMSLEDJBLQR-UHFFFAOYSA-N 365.499 2.211 0 40 FEAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12607166 CXEVCQDIMFTOIA-UHFFFAOYSA-N 363.414 2.260 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12621883 DPCXKQUDQYJNIO-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB O[C@@H](CNc1nccc(C(F)(F)F)n1)COc1ccc2c(c1)OCO2 58160184 PAMKJLMIQKMMIH-VIFPVBQESA-N 357.288 2.076 0 40 FEAB Cn1c(S)nc2cc(C(=O)NCCc3cccc(F)c3)ccc2c1=O 10101841 HKBSXWQCLMVMAA-UHFFFAOYSA-N 357.410 2.334 0 40 FEAB O=C(CCc1ccccc1OC(F)(F)F)N1CCN([C@@H]2CCOC2)CC1 84502458 QLWMCJWFXUGCIO-OAHLLOKOSA-N 372.387 2.451 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102082016 OUINHSIMBCNMMJ-HCXPVWKYSA-N 350.418 2.375 0 40 FEAB CCN1C(=O)C(=NNc2cccc(Br)c2)C(=O)N(CC)C1=O 103462152 UQPUCIPJSQVKBN-UHFFFAOYSA-N 367.203 2.048 0 40 FEAB CCCCN(C)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57525935 PQNPMKARMXLVQN-UHFFFAOYSA-N 359.470 2.468 0 40 FEAB CCn1ncc(C(=O)N2CCC(c3cc4nc(C)cc(O)n4n3)CC2)c1C 100137455 GQYGCMCQUMWLHL-UHFFFAOYSA-N 368.441 2.288 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102082824 KSEOEMAANVXKNP-QMWCDGKBSA-N 350.418 2.295 0 40 FEAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1C 12227140 VFVRTTHMGZZTJO-UHFFFAOYSA-N 370.453 2.103 0 40 FEAB COc1ccc(-c2noc(C(=O)NC[C@@H](O)c3ccccc3)n2)cc1OC 12389802 NIXOAAQXYLMCBY-CQSZACIVSA-N 369.377 2.217 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)cc1 107738975 MJUFYZKUQWDMKV-AZUAARDMSA-N 357.454 2.199 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 100817962 YZRQPYPGJKUENX-YHIXANTKSA-N 352.173 2.277 0 40 FEAB C[C@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C\c3cccc(O)c3)c1=O)=N2 102450062 IVAZWLLTTJQLBN-FMJPRLEPSA-N 364.426 2.166 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 27745433 LSYWUFJKTCJQMU-YOEHRIQHSA-N 362.401 2.376 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NCCc3ccc(C(=O)O)cc3)ccc21 13443708 BJQRKRJDYGIYBA-UHFFFAOYSA-N 352.390 2.266 0 40 FEAB COc1ccc(CNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5253903 AOZUBMRUCPCHOO-UHFFFAOYSA-N 357.797 2.375 0 40 FEAB COc1cc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc2c1OCCO2 62001414 HCBHUGFDFNCLMN-ICSRJNTNSA-N 352.390 2.391 0 40 FEAB biogenic O=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)N1CCCCCC1 14140753 UFEIQUAHVVNJNX-UHFFFAOYSA-N 362.449 2.378 0 40 FEAB O=C(NC1CCN(c2ncccn2)CC1)c1cc2c(cc1O)CCCC2 65618386 KRQUNIXPPYBPQM-UHFFFAOYSA-N 352.438 2.460 0 40 FEAB O=C(NCCNC(=O)c1ccccc1F)c1nc(-c2cccs2)no1 15082106 KZSCGKITZIKFSK-UHFFFAOYSA-N 360.370 2.097 0 40 FEAB Cc1nnc(S)n(/N=C/c2ccc(-n3cnc4ccccc43)cc2)c1=O 6980636 YMTSMFULEOBCBK-KEBDBYFISA-N 362.418 2.457 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 7250665 QWSMOORNWWGHNU-UHFFFAOYSA-N 358.379 2.162 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc21 7705504 KAXSTZHMBGRVJS-INIZCTEOSA-N 372.446 2.262 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1/C(=O)Nc2ccccc21 96843555 XEPRRJJJELQSQK-BPKVKKHESA-N 357.435 2.352 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 8753577 BHHFAQPGIYIDDC-VXGBXAGGSA-N 373.906 2.498 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cn3c(nnc3C(=O)NC(C)C)C[C@H]2C1 306143651 YHYVGFXXLAFYJC-KBPBESRZSA-N 359.499 2.091 0 40 FEAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1 408627430 ZOFJILIVUVRGSD-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 120786681 ZFBMKTZQJPPVIQ-XJKSGUPXSA-N 368.424 2.492 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409374925 BRBISIWUVKSVML-HUUCEWRRSA-N 368.499 2.319 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)COc1c[nH]c(C)cc1=O)CC3 524731783 KMDZXMVAVYXPGF-UHFFFAOYSA-N 367.405 2.137 0 40 FEAB biogenic C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)[C@H]21 408670674 IYYAXVMNCOYEMB-QCSYZSNVSA-N 368.433 2.297 0 40 FEAB CC(C)(C)Cc1csc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)n1 538485807 JWGDROWSAGEWJD-UHFFFAOYSA-N 364.471 2.439 0 40 FEAB COc1ccc(CCNCC(=O)Nc2ccccc2N2CCOCC2)cc1 35311452 PZMMKZHLDPTWDK-UHFFFAOYSA-N 369.465 2.303 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1OC 32964117 AWHPUVPKTGLEMG-UGSOOPFHSA-N 364.467 2.116 0 40 FEAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccncc3)cs2)cn1C 72403178 HDDPLNNHFSXNMZ-UHFFFAOYSA-N 356.407 2.230 0 40 FEAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72379233 SWDROKDXOIVWKC-OAHLLOKOSA-N 350.426 2.329 0 40 FEAB Cc1cc(C(=O)N2CCCN(Cc3ncc(C(C)(C)C)o3)CC2)n(C)n1 72254613 ANOKPLKTPDYQQT-UHFFFAOYSA-N 359.474 2.362 0 40 FEAB Cc1noc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)n1 38575683 CANGYCIMSFNDSL-UHFFFAOYSA-N 363.424 2.007 0 40 FEAB COc1cc(C(=O)NCCCN2CCCC2=O)nc2c(C)cc(F)cc12 72329552 HEMFMHIKAXXAIC-UHFFFAOYSA-N 359.401 2.433 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](C(F)(F)F)SCC(O)=N2 79477320 ARJHBRUAFIVUHP-OIBJUYFYSA-N 369.390 2.489 0 40 FEAB O=C(NC1CCCC1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 66907462 LNAUSZOIHKYWFB-UHFFFAOYSA-N 370.497 2.236 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)s1 223501788 RYMIMJUPEXPFJS-LLVKDONJSA-N 368.484 2.461 0 40 FEAB COc1ccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(C)c1 224180208 BUDKFIBZQFIPAF-UHFFFAOYSA-N 371.441 2.260 0 40 FEAB C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F 40016058 DOPPDSCZTUNZJJ-NSHDSACASA-N 351.403 2.034 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)Nc2c[nH]nc2-c2nccs2)[C@]12CCCO2 571249139 JSZYHPMXBXRLKG-XHBSWPGZSA-N 363.443 2.381 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1 49131242 RECNUEHOMUTYGU-SMDDNHRTSA-N 358.360 2.406 0 40 FEAB O=C(CSC1CCCC1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225636672 WDCJDADHMQUDPL-OAHLLOKOSA-N 362.451 2.499 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1cccnc1)C2 96044983 JGANIGFSPLLBGN-GOSISDBHSA-N 356.470 2.358 0 40 FEAB CCC1=NC2(CCC(C(=O)Nc3nccs3)CC2)C(=O)N1CCOC 96261384 OCCXZFFDDGTTTH-UHFFFAOYSA-N 364.471 2.308 0 40 FEAB Cc1ccsc1CN1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 96218537 ARZBQHMPGWZIMV-HNAYVOBHSA-N 357.479 2.469 0 40 FEAB Cc1ccc(C(=O)NC2CCN(C(=O)c3c[nH]cc(C)c3=O)CC2)s1 332314800 NNJXPESEYINYQM-UHFFFAOYSA-N 359.451 2.088 0 40 FEAB CCOC(=O)[C@H]1CS[C@H](c2cc(Br)c(O)c(OC)c2)N1 98072851 FSYZTUGKSYJGJG-BXKDBHETSA-N 362.245 2.430 0 40 FEAB CCCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96228244 HJEPZJVEZMGDKX-UHFFFAOYSA-N 350.484 2.383 0 40 FEAB CCOc1ccccc1CN1CCN(c2ccc(C(=O)O)nn2)[C@H](C)C1 520411653 ASQVZHHDCJABBR-CQSZACIVSA-N 356.426 2.284 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@@H]2COC 253493225 SOXVKTWGOAMBSQ-MRXNPFEDSA-N 372.556 2.258 0 40 FEAB CN1CCN(C(=O)c2ccnnc2)C[C@@H](Cc2cccc3cccnc23)C1 257245284 IOVFRVDICRJHOY-INIZCTEOSA-N 361.449 2.271 0 40 FEAB Cc1cc(N2CCC[C@H](Cc3cc(C(=O)N(C)C)ncn3)CC2)ncn1 257276186 NSROVCQECDCYBR-HNNXBMFYSA-N 354.458 2.126 0 40 FEAB C[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 589053623 DOEHRFPFUGMHNU-XSLAGTTESA-N 357.498 2.455 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)c1ccc(F)c(Cl)c1 671094359 HHYLBBVYPLNRPE-CABZTGNLSA-N 364.808 2.053 0 40 FEAB O=C(c1cc(F)ccc1N1CCOCC1)N1CCC(c2cn[nH]c2)CC1 605546891 GPIGUQHGAZCGIC-UHFFFAOYSA-N 358.417 2.405 0 40 FEAB Cn1cc(N2C[C@H](c3nc(-c4ccc(C(F)F)nc4)no3)CC2=O)cn1 624653955 YARLFEXZPHJONZ-SNVBAGLBSA-N 360.324 2.323 0 40 FEAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095812 NAIHIYPIXCYVGR-AWEZNQCLSA-N 354.401 2.214 0 40 FEAB CCOC(=O)CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 5007842 SQVSCRVGKSFVKX-SFQUDFHCSA-N 370.380 2.276 0 40 FEAB COC[C@@H](C)NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14400361 ORPNGYOGYIXEBR-OAHLLOKOSA-N 356.488 2.001 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 16740489 SCAVAGXCTVXUAG-UHFFFAOYSA-N 367.515 2.435 0 40 FEAB CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 17072723 ZERQHLIPAQPRIP-DTVLGXAZSA-N 350.440 2.485 0 40 FEAB CCn1cc(-c2cc(C(=O)NCCn3nc(C)c(C)c3C)on2)c(C)n1 19524723 PZCPOQMAZJTNHR-UHFFFAOYSA-N 356.430 2.418 0 40 FEAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)C(C)C)c2)CC1 19698133 YGURCBRXCGFRBC-LJQANCHMSA-N 358.486 2.378 0 40 FEAB CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCC(C)CC1 4304897 LNSYWHHVUCPEHH-UHFFFAOYSA-N 363.483 2.479 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(Cc5nc(C(C)C)no5)C[C@@H]4C3)n1)CCC2 1888869886 UUXGONXAHRXMCI-HUUCEWRRSA-N 368.485 2.348 0 40 FEAB CCS(=O)(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888882061 PLEBBQINUSYKJR-CYBMUJFWSA-N 365.430 2.333 0 40 FEAB O=C([C@H]1CN(Cc2c(F)cccc2Cl)CCO1)N1CCSCC1 1888910401 ZKVHPCZITBUCDG-OAHLLOKOSA-N 358.866 2.255 0 40 FEAB CCN=c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]1 1889119532 OBIDMOKUFIIHBN-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CN2CCC(C(=O)Nc3ccccc3)CC2)C1=O 23641257 BAXRVELGYWJYLO-HXUWFJFHSA-N 370.453 2.015 0 40 FEAB O=C(CN1CCN(c2cnc3ccccc3n2)CC1)N1CCCCCC1 26137619 IIKIKIQBHYWOQQ-UHFFFAOYSA-N 353.470 2.154 0 40 FEAB Cc1cc(O[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)n1C 238848821 IZAOONUPFIHSIR-CQSZACIVSA-N 371.393 2.108 0 40 FEAB O=C(N1CCC[C@@]2(COCCN(Cc3ccccn3)C2)C1)C1(F)CCC1 1614929028 XKGUPQHUBWKIDY-IBGZPJMESA-N 361.461 2.415 0 40 FEAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)C1CC1)CC2 1142677291 OIJZNKZZCLQNDP-UHFFFAOYSA-N 355.463 2.410 0 40 FEAB Cc1ccccc1C(=O)N1CCC2(CC1)CCN(c1ccn(C)n1)C2=O 1565550507 AYPJTVBFVKWPMC-UHFFFAOYSA-N 352.438 2.388 0 40 FEAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)c1 22459006 FDBOYXVCVMWXJU-HNNXBMFYSA-N 373.482 2.150 0 40 FEAB COc1cc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2=O)ccn1 1775973697 QPXLJBJWAXBDNN-UHFFFAOYSA-N 368.418 2.189 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)NC1CCCC1 4853654 BBUUGROWSPJHTB-UHFFFAOYSA-N 357.432 2.088 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1 30436623 YANHCBBCCCMHFQ-UHFFFAOYSA-N 371.412 2.289 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)n1 40121571 BNNNANHXEUCGRH-AWEZNQCLSA-N 372.469 2.398 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 51527344 ILXBENTXEYLHSM-UHFFFAOYSA-N 372.446 2.465 0 40 FEAB O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc3nncn3n2)CC1 20745004 OYWRKDKMPTYYGK-UHFFFAOYSA-N 370.844 2.311 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2=O)cc1 101507982 HNNDYARFOQKDEP-SJLPKXTDSA-N 364.357 2.213 0 40 FEAB COC(=O)c1cn(-c2cccnc2O)cc2c(=O)n(-c3ccccc3)nc1-2 101716344 QSLPAWOTNIOXDO-UHFFFAOYSA-N 362.345 2.015 0 40 FEAB Cn1c(S)nc2cc(C(=O)NCCc3ccccc3F)ccc2c1=O 102178172 NSBCSZBXSPZIAX-UHFFFAOYSA-N 357.410 2.334 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)NCCCO[C@@H](C)c1ccccc1 32759995 SWCXXNKJYJIOIO-DZGCQCFKSA-N 353.488 2.061 0 40 FEAB CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 601249 RHLJLALHBZGAFM-UHFFFAOYSA-N 373.457 2.068 0 40 FEAB world Cc1nn(C)c2ncc(NC(=O)CNC(=O)c3cccc(Cl)c3)cc12 41868411 HGKQWDNTVAYBNF-UHFFFAOYSA-N 357.801 2.299 0 40 FEAB O=C(Nc1nncs1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36367220 TYSFPXBJDYTUCF-UHFFFAOYSA-N 353.363 2.142 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1 796716 MVSPVPCXKDPSEM-HNNXBMFYSA-N 368.499 2.258 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801569 GHMNKYJQISVFAT-OAHLLOKOSA-N 368.842 2.403 0 40 FEAB O=C1c2ccccc2C(=O)N1CSc1nnnn1CCc1cccs1 10919174 YJCFMRBCOAUXAH-UHFFFAOYSA-N 371.447 2.323 0 40 FEAB CCCCOC[C@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999401 MHYSYYXGTKZGOS-GTTSAUCSSA-N 354.428 2.006 0 40 FEAB biogenic CCOc1cc(NC(=S)NCCOC)c(OCC)cc1NC(C)=O 4127378 UTHZXRZIEZJATK-UHFFFAOYSA-N 355.460 2.375 0 40 FEAB CC[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 4966881 UGCNAUKHHGVTLZ-INIZCTEOSA-N 372.421 2.053 0 40 FEAB CCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 6964066 MFXPGFYOJXSVJC-UVTDQMKNSA-N 358.394 2.498 0 40 FEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(Cc2ccccc2)CC1 20649992 GZQNKSQMIBDSTM-IBGZPJMESA-N 365.481 2.037 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)nc12 7725107 HNHYRXOTLQXGHY-UHFFFAOYSA-N 358.423 2.408 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102129947 XMQSCAGQNHTEKI-IYBDPMFKSA-N 355.390 2.062 0 40 FEAB COc1ccc(CC(=O)OCCN2C(=O)c3ccccc3C2=O)c(OC)c1 21594770 TYZRZLUZEWVVFX-UHFFFAOYSA-N 369.373 2.086 0 40 FEAB COc1ccc2cc(CN(CCO)C(=O)C3[C@@H]4CCCC[C@@H]34)c(=O)[nH]c2c1 100773779 ZIMMGOQPAZKXIB-IAGOWNOFSA-N 370.449 2.294 0 40 FEAB Cc1ccc(CN2CCO[C@@H]3C[C@@H](COCC(=O)N(C)C)C[C@H]32)s1 107747535 RHUBDYCJYGVWOQ-USXIJHARSA-N 352.500 2.141 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102428363 XZSOZTCBWLBHRY-ZIAGYGMSSA-N 366.339 2.273 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2)C1 32912995 ZTDSENCKOXFFCA-HNNXBMFYSA-N 352.456 2.280 0 40 FEAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 102609895 UXDJWMJAFYTNPD-VDERGJSUSA-N 357.797 2.252 0 40 FEAB COc1cc(NC(=S)NC[C@@H]2CCCN(C)C2)cc(OC)c1OC 9876280 HJBRULBGMMGZFB-LBPRGKRZSA-N 353.488 2.341 0 40 FEAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1 12094779 FSEVOOVTGYSLDG-UKRRQHHQSA-N 367.467 2.427 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)CCc3ccco3)CC2)c(OC)c1 56026887 AMXXXTZOTIPOLX-UHFFFAOYSA-N 372.421 2.214 0 40 FEAB C[C@H](C(=O)Nc1ccnc2ccnn12)N1CCN(c2ccc(F)cc2)CC1 118677171 AHUDHJDYKDDQRZ-CQSZACIVSA-N 368.416 2.018 0 40 FEAB CCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2123729 MGKIVAFTMPEAKQ-LBPRGKRZSA-N 367.785 2.372 0 40 FEAB biogenic Cc1nc(Cc2nnc(SCCn3nc4ccccn4c3=O)o2)cs1 48332447 AVJCXKIFFJDOBT-UHFFFAOYSA-N 374.451 2.027 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCCN(c3nccs3)CC2)c1 64750740 UHJSQLBTAOMGPI-UHFFFAOYSA-N 372.494 2.229 0 40 FEAB C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)N(C)C(=O)N(C)C1=O 5274407 VWFVWDKSWMXPKS-XJKCOSOUSA-N 355.438 2.130 0 40 FEAB CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccccc2)nc1C 4436599 SDMUAGHGSSVGPH-UHFFFAOYSA-N 368.436 2.041 0 40 FEAB Cc1ccccc1-n1cnnc1SCC(=O)NC(=O)NCc1ccco1 4510186 BXQWDDQNBKSKAC-UHFFFAOYSA-N 371.422 2.287 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccc1 4691390 WUMKHPMNYBDSCA-HNNXBMFYSA-N 370.380 2.038 0 40 FEAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccccc1 4711145 PGMUOVNOWJQFQY-UHFFFAOYSA-N 371.412 2.130 0 40 FEAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 5804561 MQASXDMRITUTSX-LAUBAEHRSA-N 361.401 2.481 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 7212448 GZECETLROKOANZ-ZDUSSCGKSA-N 362.517 2.040 0 40 FEAB COc1ccc2c(ccn2CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 80309588 BIIPULDKRMGACD-IBGZPJMESA-N 363.417 2.089 0 40 FEAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)Nc1cccc(Br)c1 8924307 VIIDTGAOFLHLBN-UHFFFAOYSA-N 370.228 2.422 0 40 FEAB CN(Cc1ccccc1)C[C@@H](O)CN1C(=O)NC2(CCCCCC2)C1=O 75582435 WLYFPGHYJQSCSH-QGZVFWFLSA-N 359.470 2.124 0 40 FEAB Cn1ncc(NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c1C1CC1 97163161 FTMWSBNTDUPNSB-GOSISDBHSA-N 358.417 2.449 0 40 FEAB CC1(CS(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)COC1 97104243 WNFJIFPGLGDTMW-CYBMUJFWSA-N 350.440 2.374 0 40 FEAB COC(=O)CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CCOCC1 72314221 UGYBWJSTAVFDJM-ZIAGYGMSSA-N 353.365 2.297 0 40 FEAB CON(C)C[C@@H](O)Cn1cc(NCc2cnc(C(C)(C)C)s2)cn1 95462151 CUUOTEAPSDXARG-CYBMUJFWSA-N 353.492 2.103 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c(C)c1 28207591 FBPLCHOGRGSANV-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2F)[C@@]2(N3CCOCC3)CCC[C@@H]12 32912774 OGKHVMWUNALZGM-LIRRHRJNSA-N 361.417 2.393 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(CC)CC)cc1Cl 408606048 LDNGUMJQIIYAPY-LLVKDONJSA-N 362.879 2.274 0 40 FEAB CCOC[C@H]1CCN(CC2CC2)C2(C1)CN(C(=O)Cc1ccccn1)C2 306140578 UXQJNAIHZJRKTK-SFHVURJKSA-N 357.498 2.364 0 40 FEAB CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccc4ccccc4n3)O2)C1 306137863 RIODOFNKROMGRB-CTNGQTDRSA-N 369.465 2.121 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1OC 32094459 MQOSLNAPWPNVPA-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985544 TXUFWMIGJLXOSW-UHFFFAOYSA-N 350.415 2.153 0 40 FEAB COc1ccc(C[C@@]2(c3ccc(Br)cc3)NC(N)=NC2=O)cc1 71974989 ONHSLAWXZDCERC-KRWDZBQOSA-N 374.238 2.340 0 40 FEAB CCN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)CC1 35132366 UPFOBZMYUGWFKE-UHFFFAOYSA-N 373.478 2.146 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc21 47080891 UDVOAOGQBORAIQ-BJMVGYQFSA-N 352.350 2.437 0 40 FEAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222955510 QRLZPPOVGHZZNE-UHFFFAOYSA-N 374.875 2.378 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1cnccn1)c1ccccc1O2 96156913 VINCKOJMXYQBOA-MRXNPFEDSA-N 366.421 2.111 0 40 FEAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)n1 95479774 PRNOIYBMTMEPCI-UHFFFAOYSA-N 370.388 2.005 0 40 FEAB COc1ccc2nc3n(c2c1)[C@@H](CNS(=O)(=O)c1ccccc1)COC3 96112593 NOCQNZJSRDKDAW-ZDUSSCGKSA-N 373.434 2.095 0 40 FEAB biogenic,in-vitro O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCSCC1 95477754 ZDKJQWMAJACGKM-CYBMUJFWSA-N 351.863 2.076 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)n1 257274081 NJKNRKNNLHYUEB-CQSZACIVSA-N 366.425 2.187 0 40 FEAB Cc1cc2nc(C3CCN(C(=O)COc4cccnc4)CC3)ccn2n1 257213295 CGYHJTHZCIEWQI-UHFFFAOYSA-N 351.410 2.218 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3cnccn3)C2)cn1 257209608 BRBIRZVQINLDKS-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)cc2)n1 604382113 FCVLDYJTNOWOQM-UAFMIMERSA-N 373.472 2.429 0 40 FEAB biogenic,in-vitro Cc1c([C@H]2CNC[C@@H]2C(=O)N(C)Cc2cc3ccccc3o2)cnn1C 643717772 GAZDZHBJBJADAP-MSOLQXFVSA-N 352.438 2.436 0 40 FEAB O=C(CCCSc1ccccc1)N1C[C@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1776006078 LYSGOOQXUSOXLH-HDICACEKSA-N 363.435 2.337 0 40 FEAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2Cl)c2cccc(O)c2)C1 575420715 JJZOASRDNAJKDI-IAGOWNOFSA-N 367.854 2.210 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)CCc2cnn(C)c2)C1 585277366 STEFGCOQJUSYEH-HXUWFJFHSA-N 357.454 2.094 0 40 FEAB NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2Cc1ccccc1 12114165 LWZDUIRPZXDXMH-UHFFFAOYSA-N 363.352 2.073 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(CC1=Cc3ccccc3OC1)C2 12142738 SBBHUEZKGCIYDB-UHFFFAOYSA-N 364.449 2.204 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCN3CCc4ccccc43)N2C=C1 12148437 KVAVUDVUQVBXSG-OAQYLSRUSA-N 364.449 2.028 0 40 FEAB O=C([C@H]1CCCO1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12158153 KITHXIVCCQPQKQ-MRXNPFEDSA-N 373.478 2.389 0 40 FEAB Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063871 SIIFPKHMOHSVSK-AWEZNQCLSA-N 350.802 2.077 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)N2CCCN32)cc1 19168966 VMPLOLLWEOXXKB-QYZOEREBSA-N 363.417 2.231 0 40 FEAB CCCc1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(C3CC3)C1=O)OCO2 19525465 FNXBHEMWCBRFLL-LJQANCHMSA-N 373.409 2.027 0 40 FEAB Cc1cc(=O)cc([C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)[nH]1 19570199 YLFZZEZDJUSBNI-AWEZNQCLSA-N 354.454 2.315 0 40 FEAB Cc1cc(NCCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c2ccccc2n1 19656282 HSACMSMQBPKCMF-HNNXBMFYSA-N 354.454 2.328 0 40 FEAB C[C@H]1C(=O)N(CC(=O)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 20671118 BBOMSGMOQWFDEW-ZDUSSCGKSA-N 355.369 2.299 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)[C@@]4(C)CC=CCC4)C3)C2)cn1 1614933807 QQWYLDRAHOUYKY-AJPWXKBRSA-N 356.470 2.277 0 40 FEAB Cc1cnnn1Cc1ncn2c1CN(C(=O)C1CCC(C)CC1)CCC2 1565550176 SNUFSDAZUUTXGU-UHFFFAOYSA-N 356.474 2.390 0 40 FEAB COc1cnccc1C(=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565549636 XIZBOLRFYIGFQC-HXUWFJFHSA-N 366.421 2.145 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(CC4(O)CCCCC4)CC3)nn2)n1 2298188601 NZFSOHVQOGNGBG-UHFFFAOYSA-N 370.501 2.096 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@H](O)c3ccco3)CC2=O)cc1C 77111345 VPAQLOLOQBYEFW-RDJZCZTQSA-N 356.422 2.489 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 40120160 MNZBJVJTOWNENS-KDURUIRLSA-N 371.481 2.283 0 40 FEAB Cc1cc(C)n(C[C@@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)n1 958909 HTNQNCLPEJJKPK-HNNXBMFYSA-N 352.438 2.144 0 40 FEAB biogenic CC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccc(OC)cc1 25515094 PNRUNFSKCZSNHK-QGZVFWFLSA-N 366.421 2.458 0 40 FEAB CCN(CCCNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 25605259 SZRUNHDTZZRCCR-UHFFFAOYSA-N 350.422 2.341 0 40 FEAB COc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1OC 12699826 YFMXPVUDRGEOCN-UHFFFAOYSA-N 367.405 2.189 0 40 FEAB biogenic CO[C@@H]1CCCC[C@@H]1OC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 107334084 XCUHNVQLHJUIKH-GUXCAODWSA-N 374.437 2.263 0 40 FEAB CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 4101124 PWNUQCSPOMLBLH-UHFFFAOYSA-N 360.418 2.310 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)NC1CC1 12616171 CWRJIVHDRMMDDH-UHFFFAOYSA-N 371.412 2.122 0 40 FEAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCNC1=O 6588994 PKKRNGBZMXRJTM-UHFFFAOYSA-N 356.329 2.293 0 40 FEAB CCOC(=O)COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC 6954767 WBPQVNXPNQPDCR-MDWZMJQESA-N 367.448 2.468 0 40 FEAB O=S(=O)(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 58177864 BHGYZCLOBVGGBN-SFHVURJKSA-N 364.442 2.178 0 40 FEAB COc1cc(OC)c(C(=O)N2CCN(c3nccs3)CC2)cc1OC 10269943 WJEUUOPWICMXDV-UHFFFAOYSA-N 363.439 2.131 0 40 FEAB Cc1noc(C)c1CC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 58224015 HRHCMRCJQSTMQM-CYBMUJFWSA-N 372.343 2.409 0 40 FEAB CN(Cc1ccc(O)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 58230865 IEAJQOGUQBZDES-UHFFFAOYSA-N 374.871 2.044 0 40 FEAB C[C@H](NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 36393573 NHQZKLIBZSNVIT-AWEZNQCLSA-N 358.442 2.302 0 40 FEAB CC(C)(CNC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)OCO2 60448558 CACVNMHXIKWYIP-UHFFFAOYSA-N 369.421 2.291 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195316 SDTYKHKBISIIIT-ZDUSSCGKSA-N 372.874 2.179 0 40 FEAB CSCC(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 108528609 JQSDAJSWTPEUHT-UHFFFAOYSA-N 354.516 2.007 0 40 FEAB O=C(Nc1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1)c1ccccc1 47172532 XWHCVQIMDVQGAF-QGZVFWFLSA-N 351.406 2.337 0 40 FEAB O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)C1CC1 12522688 FUJDTWHFEYSBFA-UHFFFAOYSA-N 370.331 2.018 0 40 FEAB CC(C)[C@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1 12996978 MRXTZQNNSRIZHA-QUCCMNQESA-N 367.449 2.253 0 40 FEAB CCCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1=O 12984997 HKKGXTJEBVIBOF-BEFAXECRSA-N 362.426 2.130 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4)[C@H]3C2=O)c1 101887887 PAMGBPNCTKIXMJ-BSPHMWTBSA-N 368.433 2.131 0 40 FEAB COc1cccc(C(N)=O)c1OCC(=O)NCCSc1ccc(C)cc1 12947707 OAMKYAAKYXRZCJ-UHFFFAOYSA-N 374.462 2.390 0 40 FEAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 13541169 PFNMRVNAXGQENG-UHFFFAOYSA-N 369.400 2.242 0 40 FEAB Cc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)o1 6083384 RYJCYPJAQIOAOZ-CQSZACIVSA-N 370.405 2.371 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 39584020 JFNMZTXSPODGBX-UHFFFAOYSA-N 351.358 2.407 0 40 FEAB COc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C)c3ccccc32)cc1 9340245 ADRSISOZUWUSFJ-HXUWFJFHSA-N 367.405 2.032 0 40 FEAB Cc1cc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)no1 6112369 VQDGIGDGIFEPFQ-UHFFFAOYSA-N 363.171 2.094 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)c1 14182852 IHBADPWFXHJWQX-UHFFFAOYSA-N 374.462 2.156 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993098 IORBCSNSQPXSIN-LLVKDONJSA-N 365.817 2.393 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C[C@@H](C)O1 15375807 TYGBJPRPPULCMB-HUUCEWRRSA-N 371.437 2.257 0 40 FEAB CC(C)CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 80330259 COZVQMQHXMJGOS-CQSZACIVSA-N 366.893 2.332 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 16371580 WMLCYLVXFQCBDV-UHFFFAOYSA-N 360.443 2.477 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@H]2CCCCO2)c(C)c1 69343172 YAEHVMJHRDFKLS-LSDHHAIUSA-N 355.456 2.083 0 40 FEAB COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)[nH]c(=O)n2CC(C)C 8345977 RDUQQNHIFHVOPL-UHFFFAOYSA-N 371.368 2.334 0 40 FEAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc(C)c1Cl 17074672 FSFYESIJGXUIFN-KBPBESRZSA-N 362.813 2.318 0 40 FEAB Cc1ccc2nc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)sc2c1 8708556 MNOQHXDCVNAGLT-KRWDZBQOSA-N 358.423 2.264 0 40 FEAB Cc1cc(CN2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)on1 92363341 UOGHFSOIDPQFPG-UHFFFAOYSA-N 357.458 2.183 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccnc(F)c1 97000586 UZQKMDOWQGOFKY-UHFFFAOYSA-N 373.369 2.064 0 40 FEAB CC(=O)Nc1cc(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)ccc1F 96013185 FURPKUWOPKELJE-AWEZNQCLSA-N 361.373 2.215 0 40 FEAB O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@H](N2CCCC2)[C@H](O)C1 72306029 OAESIMMNXNGIEP-UONOGXRCSA-N 365.503 2.259 0 40 FEAB Cc1ccccc1CN1CCN(Cn2nnc(-c3cccs3)n2)CC1 22789419 YIZHZWCAMCWRMA-UHFFFAOYSA-N 354.483 2.485 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 9909948 ZBANYPCKPVBDOP-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cc1ccc(C[C@H](C)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 557593503 WRBDIEIIKQSLCL-JQHSSLGASA-N 366.527 2.398 0 40 FEAB CCCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217551099 ZSDXMNATIQVHOZ-GFCCVEGCSA-N 356.444 2.054 0 40 FEAB CCn1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1=O 47182004 YBEOOWAGSUHIPS-MRXNPFEDSA-N 355.394 2.238 0 40 FEAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(S(C)(=O)=O)cc1 223083579 MBHMLVKECHGVDZ-CQSZACIVSA-N 372.468 2.125 0 40 FEAB CON(C)C(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Br 227158923 YPDWMJIGPJRFQP-JTQLQIEISA-N 354.204 2.422 0 40 FEAB CCn1nc(C)c2ncnc(N3CCN(c4ccccc4OC)CC3)c21 96193130 DSZRZAHCXMTQMR-UHFFFAOYSA-N 352.442 2.490 0 40 FEAB Cn1ccnc1CN1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 96160036 QDOGGNRVVFQCRF-FXAWDEMLSA-N 356.470 2.403 0 40 FEAB CN(C)c1nc(N2CCOCC2)nc2c1CN(CC1CCCCC1)CC2 96254022 PLZOSEAORJSPJU-UHFFFAOYSA-N 359.518 2.318 0 40 FEAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(Cc1ccoc1)C2 96050476 RLJOCZYQVNBDDK-GOSISDBHSA-N 359.451 2.181 0 40 FEAB O=C([C@H]1CCCO1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 96239635 YHYQYMJCZMHPQM-PBHICJAKSA-N 351.397 2.325 0 40 FEAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96052590 NHJDRFYRMVWJFP-HNNXBMFYSA-N 364.449 2.274 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(c1ncccn1)C2 96056051 OTNPOFFGNFVGAM-JXFKEZNVSA-N 370.453 2.351 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 257242771 IEBNTNQOJVYNTP-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)n1 257201130 AGKYBMBBWVEMLE-OAHLLOKOSA-N 352.442 2.270 0 40 FEAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1 85559437 DDSNCMTVTPNKAJ-NSHDSACASA-N 359.856 2.348 0 40 FEAB CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCN(C)C2 257235968 HAHKLHVMOHEZAG-OAHLLOKOSA-N 351.454 2.136 0 40 FEAB Cc1cc(-c2ncc(C)s2)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257307240 SXUVWZHKWYQHMJ-CYBMUJFWSA-N 367.500 2.160 0 40 FEAB CN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2cncc3ccccc23)C1 257257940 KRSGFPITHKZTDT-INIZCTEOSA-N 363.465 2.215 0 40 FEAB C[C@]1(Cn2c(Cc3ccccn3)nnc2N2CCSCC2)CCCO1 1303992239 WTTURMBBGWPEQG-GOSISDBHSA-N 359.499 2.386 0 40 FEAB COCc1nocc1CN1CCC(=O)N(C[C@@H]2CCCC2(F)F)C1=O 1775997100 VQHRLGHHKDUNRL-LBPRGKRZSA-N 357.357 2.411 0 40 FEAB CCOC(=O)c1cnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 1614702815 VXTPQWQDUUGQGC-CYBMUJFWSA-N 350.419 2.147 0 40 FEAB C[C@@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CC[C@H]1C(=O)O 626756757 WAXQXEGNZPSFEL-NVXWUHKLSA-N 370.453 2.378 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)c(C)c1 96096365 HLKWPNJNDWXRCU-QGZVFWFLSA-N 366.439 2.123 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2coc(C)n2)[C@@H]1Cc1ccc(F)cc1 585269410 SNTYVJVBNUBJPR-WMZOPIPTSA-N 359.401 2.474 0 40 FEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)N1CCc2ccccc2C1 35436287 WFWUYNYGONRRKJ-UHFFFAOYSA-N 369.490 2.091 0 40 FEAB CCC(CC)[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccs1 56008156 BSAABANQKSWBNG-MRXNPFEDSA-N 373.482 2.485 0 40 FEAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccc(Cl)c(Cl)c1 13636920 UCZXXVUBFFVERX-NXEZZACHSA-N 363.222 2.007 0 40 FEAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(-n2cncn2)cc1 14289518 QKNACRRCNDAYNK-UHFFFAOYSA-N 368.418 2.071 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 18063873 SXZWHZZLUUPBFN-LBPRGKRZSA-N 371.220 2.422 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)c2nccnc21 19289348 YNHSELZBRPLWLX-CQSZACIVSA-N 351.410 2.148 0 40 FEAB CC[C@@H]1CCCCN1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19500943 KWAUXDRUIIMFQG-SJLPKXTDSA-N 371.529 2.093 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)nc(O)c2C1 19590230 HYONWHANIUOWOD-HNNXBMFYSA-N 358.486 2.456 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3ccccc3C)n2CC1 19710706 KPDJXUNDBICVGU-SFHVURJKSA-N 353.470 2.328 0 40 FEAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1cccc(Br)c1 5505414 FQBUIAAVVDIKKG-VOTSOKGWSA-N 356.172 2.050 0 40 FEAB Cc1nnc(CN(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)o1 1888888455 JIVBFKWXKHKLOU-UHFFFAOYSA-N 354.389 2.295 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1cccc(C(=O)NC2CC2)c1 24835266 FXAPRFWMKYWONG-LBPRGKRZSA-N 355.442 2.368 0 40 FEAB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 63193913 ABGYGNPAZDASEX-BXKDBHETSA-N 365.268 2.479 0 40 FEAB Cc1ccc(N2CCn3c2nn(Cc2ccc(F)cc2)c(=O)c3=O)cc1 8849777 YBWVUVHBWFTZLI-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377545 RBFZONRYEOTPMK-NRUUGDAUSA-N 368.258 2.098 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)CCc4ccccc4F)C[C@H]3C2)ncn1 1889314303 IFTNJGKTSMEKMD-CALCHBBNSA-N 354.429 2.452 0 40 FEAB CCOc1ccccc1NC(=O)C(=O)NCc1nc(-c2ccccc2)no1 38718176 JLNMFZXZSBTBSO-UHFFFAOYSA-N 366.377 2.390 0 40 FEAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccccn1 43980752 ZQGRTWBGDXADDM-UHFFFAOYSA-N 353.422 2.129 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 49026600 WMUBYQVCWFAIIY-KGLIPLIRSA-N 362.385 2.214 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 102231272 UBDREKUPTAWTRJ-BETUJISGSA-N 368.311 2.475 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O 21559213 JQNMRWLVTSSDJG-BDJLRTHQSA-N 373.236 2.454 0 40 FEAB Cc1nn(C)c(=O)c(C(=O)N(C)Cc2csc(Br)c2)c1C 102836549 GPTZNFFDLYZZBO-UHFFFAOYSA-N 370.272 2.493 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1C(=O)O 24433034 BEJJHEUPDOGCRC-UHFFFAOYSA-N 353.327 2.331 0 40 FEAB CC(=O)Nc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)ccc1F 24459230 KPJIODLWJITRGU-ZDUSSCGKSA-N 357.389 2.429 0 40 FEAB O=C(OC[C@@H]1CO[C@H](COC(=O)c2ccccc2)CO1)c1ccccc1 712552 IUGQYFOYHIEZQN-ROUUACIJSA-N 356.374 2.484 0 40 FEAB COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1420712 KHNDFFYHELWSII-LBPRGKRZSA-N 358.435 2.406 0 40 FEAB COC(=O)C(C)(C)C(C)(C)NCc1ccc(S(=O)(=O)N2CCCC2)o1 79109517 JSXADGJMBRKUJQ-UHFFFAOYSA-N 372.487 2.132 0 40 FEAB COc1ccccc1N1CCN(Cn2nc(-c3ccco3)ccc2=O)CC1 79474429 CEMBPPTVJCEGLZ-UHFFFAOYSA-N 366.421 2.292 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)CCOC(C)C)cc1 107542346 JZORLFBONGUKJF-ROUUACIJSA-N 371.499 2.122 0 40 FEAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(-n2cncn2)cc1 7281897 HTVJWAVDBVNSQD-UHFFFAOYSA-N 355.325 2.455 0 40 FEAB Cc1cc(C)n2cc(CSc3nnc(-c4ccncc4)n3N)nc2n1 12620475 CXBJOVHQPDXZSP-UHFFFAOYSA-N 352.427 2.006 0 40 FEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 58182237 HZHIHDCIBKGUJR-MRXNPFEDSA-N 365.361 2.432 0 40 FEAB Cc1cc2nc(N[C@H]3CCCN(S(C)(=O)=O)C3)c3ccccc3n2n1 58169073 NCNRIPCPRWTLEN-ZDUSSCGKSA-N 359.455 2.027 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NC[C@H]2Cc3ccccc3O2)c1 45687963 HJPVESFLRMJQOZ-MRXNPFEDSA-N 350.382 2.096 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 29073312 ULYDTNCVUKIPBX-HNNXBMFYSA-N 370.434 2.110 0 40 FEAB Nn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1C(F)(F)F 2660645 LZDVBKNSWCXFSX-UHFFFAOYSA-N 357.361 2.230 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc2C)c1 102608175 AOALFSXXHFNACC-LMSBXDPUSA-N 351.406 2.215 0 40 FEAB O=C(NC(=S)NC[C@@H](c1cccs1)N1CCOCC1)c1ccco1 25325912 JPLYITDFPXDADO-LBPRGKRZSA-N 365.480 2.019 0 40 FEAB Cn1ccnc1CN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CC1 48362966 UHLJYKRTYCEQID-HNNXBMFYSA-N 356.451 2.414 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12940137 LZEDPWLEMVZTQN-UHFFFAOYSA-N 374.418 2.265 0 40 FEAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9322079 PCZTWYNBAJUCHC-CYBMUJFWSA-N 353.378 2.153 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1 13257622 HRRPBKCBMNYLGH-OAHLLOKOSA-N 365.382 2.175 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(F)F)c(OC)c1 6053341 WDVIOJMXWQHEKD-ZDUSSCGKSA-N 356.325 2.488 0 40 FEAB COc1ccc(N(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 65575261 SSUKCKNCDMXMRM-MRXNPFEDSA-N 355.394 2.484 0 40 FEAB Cc1c(NC(=O)COC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C 6785201 YOVRVRXURRXUFJ-UHFFFAOYSA-N 371.418 2.341 0 40 FEAB COc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 7195540 KRYYLWYFALFNMR-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)C1 7780988 JXSQOONMPYBJJC-STQMWFEESA-N 358.891 2.465 0 40 FEAB Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8075123 LVYHGOIQURDNRD-UHFFFAOYSA-N 373.478 2.211 0 40 FEAB COc1ccc(C)cc1CN(C)C(=O)Cn1cnc2ccccc2c1=O 8348106 RRXLEVPHKYTDRC-UHFFFAOYSA-N 351.406 2.372 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 72281023 FUCWZEGZTCYXNG-IEBWSBKVSA-N 372.465 2.398 0 40 FEAB O=C(CCn1cnc2ccccc21)N[C@@H]1CN(c2ccc(F)cc2)C1=O 97108752 FSTUOKDZKSMXRZ-MRXNPFEDSA-N 352.369 2.097 0 40 FEAB CC(C)NC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 72404001 CUFPQOBOWXCYFU-UHFFFAOYSA-N 362.773 2.219 0 40 FEAB Cn1c([C@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)nc2ccccc21 75104892 LSNKPDRFGRGEBL-MRXNPFEDSA-N 369.469 2.431 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccc3c(c2)OCO3)C[C@@H](C)O1 21063543 QLIRZTFMDMNKQS-HUUCEWRRSA-N 362.470 2.352 0 40 FEAB COc1ccc(CNC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1OC 65232566 TZQUMSXOUSUYGW-UHFFFAOYSA-N 352.394 2.348 0 40 FEAB Cc1cccc(OCC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 72264672 MIVRTCOJSCVCQB-HXUWFJFHSA-N 354.450 2.252 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 36676731 HWLIGURQZFYCMG-MRXNPFEDSA-N 351.406 2.405 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217530429 OKAHHCAIZFSRJY-LBPRGKRZSA-N 370.471 2.443 0 40 FEAB CCc1ccc(S(=O)(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)s1 36611311 HSUBRUIGSSGDLG-NSHDSACASA-N 360.354 2.280 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 72355413 TXPCCCBJXXLQFT-MRXNPFEDSA-N 363.421 2.447 0 40 FEAB Cc1cc(C(=O)NC2CCN(c3nccn3C)CC2)ccc1-n1cccn1 562950429 LCGRKFUKRJPBJR-UHFFFAOYSA-N 364.453 2.313 0 40 FEAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NS(C)(=O)=O 42279494 OWAJRVZWXNJBBW-UHFFFAOYSA-N 360.844 2.373 0 40 FEAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1COc2ccccc2O1 75156976 FOGMTVQDKNURCS-SFHVURJKSA-N 370.405 2.088 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C)ccc2OC)s1 225821692 YIMHBJJEZNUSFK-UHFFFAOYSA-N 356.429 2.004 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 43730466 VCHIEKONPXTXBN-GORZOVPNSA-N 367.449 2.020 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC[C@@H](C)C1 223517632 QJQVGNFFBOQRFO-RHSMWYFYSA-N 368.499 2.498 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCCC[C@@H]3C)c(=O)cc2OC)cc1 96101189 XHUJWXAEVGFMTR-AWEZNQCLSA-N 371.437 2.329 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(c4ccccn4)C3)OCC2=O)s1 96078356 SUBYFRWZUXFXQK-GOSISDBHSA-N 359.451 2.090 0 40 FEAB Cc1ccsc1CN1CC[C@H]2[C@H](CC(=O)N3CCCO3)OC[C@H]2C1 96207320 RNUZAOPHJFZFFW-OAGGEKHMSA-N 350.484 2.447 0 40 FEAB COc1ccccc1OCC(=O)N1CC2(C1)OCC[C@@H]2CCN1CCCC1 247890356 AMDJOSRIDLTHAV-KRWDZBQOSA-N 374.481 2.177 0 40 FEAB CN(C)c1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257323125 WIVWKRZWGZLOAZ-CQSZACIVSA-N 350.426 2.210 0 40 FEAB CN(C(=O)c1ccc(Cc2cccc(F)c2)nc1)[C@H]1CCS(=O)(=O)C1 257235071 GWHRBBJLENGKAZ-KRWDZBQOSA-N 362.426 2.071 0 40 FEAB O=C(CN1CCC(O)(COc2ccc(F)cc2)CC1)NCc1ccccc1 257277749 NZEVRPSHZJCNGL-UHFFFAOYSA-N 372.440 2.348 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc2c1OCCO2 590466348 JAZSCPSEOLTIDH-UHFFFAOYSA-N 356.334 2.164 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cn1 1775976629 CLKSSOOMFRZZIK-OAHLLOKOSA-N 363.464 2.161 0 40 FEAB Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3c3ccc(N(C)C)nn3)cc12 643907436 JPPOJXTWUGXXAS-OAHLLOKOSA-N 351.414 2.100 0 40 FEAB CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cccc(CC(=O)O)c2)C1 653640774 HIKNRPQGHKMSML-HNNXBMFYSA-N 360.454 2.328 0 40 FEAB COc1cccc2c1CC[C@]2(CO)NC(=O)Nc1cc(C)cc(C(N)=O)c1 1218244244 OLKKHEKZTGZQCJ-HXUWFJFHSA-N 369.421 2.058 0 40 FEAB CCO[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 390823188 VQCWRPMIHXJERW-SRBMLKMVSA-N 371.477 2.361 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CCO1 51712565 CGPWIADVVHWAOD-HNNXBMFYSA-N 365.861 2.048 0 40 FEAB COC(=O)[C@H](NC(=O)c1coc(C2CCOCC2)n1)c1cccs1 509919212 KPTXDWZMISIGBD-CYBMUJFWSA-N 350.396 2.274 0 40 FEAB COc1ccccc1OCCN(C)C(=O)c1cccc(-n2cnnc2)c1 12222420 YGYXUQQHZBWITA-UHFFFAOYSA-N 352.394 2.427 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2c(C)c(=O)nc3n2CCC3)C1 19554839 LWWKDBWXMDKMPT-AWEZNQCLSA-N 356.426 2.123 0 40 FEAB Cc1ncc(-c2ccccn2)c(CCNC(=O)c2c(C)cc(C)[nH]c2=O)n1 19566673 MOJRDIMXEOELSX-UHFFFAOYSA-N 363.421 2.125 0 40 FEAB CN(C)c1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1 19657495 PGAZJJWAGVQAAB-UHFFFAOYSA-N 353.422 2.410 0 40 FEAB CCc1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1 1888843233 KZOUWXWPIITBLL-UHFFFAOYSA-N 354.458 2.050 0 40 FEAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@H]1CCN(C2CCOCC2)C1 1888922173 PIYKGJMEQKDSHQ-SFHVURJKSA-N 372.444 2.059 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 21913457 RVUCFULWAHQWIY-VIFPVBQESA-N 358.833 2.397 0 40 FEAB Cn1cc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037839743 CAEJBQMLBXCOAW-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB Cc1cc(N2CC[C@@H]3CN(C(=O)c4cnc(C)nc4)C[C@@H]3CC2)ccn1 2056224717 QXTCIXZVWSZRJK-CALCHBBNSA-N 351.454 2.477 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3ncccc3Br)C2)nc1 2086966138 DWYCGQCBNDJRQD-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421020 CCWWDIBNNQQCAZ-UHFFFAOYSA-N 359.336 2.411 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)Nc4cccnc4)C[C@H]3C2)o1 2055729976 KYWYHNMOOWXOBL-YQQAZPJKSA-N 369.421 2.489 0 40 FEAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2)N1CCCCCC1 2055713621 OJIIOMRDTBVWHN-INIZCTEOSA-N 358.486 2.474 0 40 FEAB Cn1ccc([C@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3F)C2)n1 585389715 KHAQUOJBISWPAH-LBPRGKRZSA-N 355.410 2.408 0 40 FEAB COc1ccc2c(c1)CN(C(=O)CCCN)C[C@@]1(CCCN(C)CC1)O2 19588831 FIVVTKVJCPASNN-FQEVSTJZSA-N 361.486 2.010 0 40 FEAB O=C(COC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(F)cc1 17073143 QJDUCQIWLQHGBF-UHFFFAOYSA-N 353.305 2.295 0 40 FEAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)cnn1C 103507386 GLOLZFARZHROEH-WMZOPIPTSA-N 360.373 2.174 0 40 FEAB COc1ccccc1OCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 40047430 BXDRRVUWVJDFLR-HUUCEWRRSA-N 350.459 2.078 0 40 FEAB O=C(COc1ccc(C(F)(F)F)cc1)NCCc1nnc2ccccn12 40141472 VULVASISXPKLGP-UHFFFAOYSA-N 364.327 2.486 0 40 FEAB CCCCSc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1 20100347 UUPXJFSSUCFUJC-UHFFFAOYSA-N 371.517 2.116 0 40 FEAB COc1cccc(C(=O)NCCNC(=O)c2cc3ccccc3n2C)c1 20731486 QXAVFEMTRKZZLZ-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB COc1cc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2cc1OC 20715148 FAEYEGWZZBMOKO-UHFFFAOYSA-N 371.437 2.420 0 40 FEAB CC(C)C[C@@H](C(=O)NCc1cccc(O)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102135593 XYSDEZYGTDBZJN-KSZLIROESA-N 370.449 2.374 0 40 FEAB Cc1ccc2nc(COC(=O)[C@@H]3CC(c4ccccc4)=NO3)cc(=O)n2c1 41830339 NFZCZSIYFCFBCU-KRWDZBQOSA-N 363.373 2.239 0 40 FEAB CCONC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22875440 WUEGHIJYVOITNP-MRXNPFEDSA-N 350.440 2.210 0 40 FEAB CCn1c(SCC(=O)c2ccc3c(c2)CCO3)nnc1N1CCOCC1 22988574 KMCKSPAENOUDSP-UHFFFAOYSA-N 374.466 2.045 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1COc2ccccc2O1 23717298 MMBLHHIRDNRVEK-QGZVFWFLSA-N 354.362 2.103 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)nc1 23995339 FFDDXMKDAHGXIS-UHFFFAOYSA-N 368.437 2.007 0 40 FEAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCSCC2)c2ccc(F)cc21 36358269 ICPYABLFROVPEI-MRXNPFEDSA-N 366.414 2.430 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6726420 TVIBHIQPSDGCPZ-HCXYKTFWSA-N 356.466 2.120 0 40 FEAB CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692182 RKJLEVUJTRVBKI-UHFFFAOYSA-N 365.282 2.281 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 102243983 MKJSABMEFJYXED-KBPBESRZSA-N 368.389 2.069 0 40 FEAB O=C1NC(=O)c2ccccc2/C1=C\NCc1ccccc1Cn1cccn1 102207061 TWZIMADHUBQFFA-CPNJWEJPSA-N 358.401 2.332 0 40 FEAB Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33040103 VMCMZYNGCUFGJF-KGLIPLIRSA-N 361.467 2.320 0 40 FEAB Cc1ccccc1OCc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1 11851771 VTJKCQGAGBTZDS-AWEZNQCLSA-N 363.435 2.426 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 46214074 DDQVMVAHINQIDO-HOCLYGCPSA-N 351.516 2.362 0 40 FEAB COc1ccc(N[C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c(OC)c1 101274956 ZUKKDCUVRQJNGL-OAHLLOKOSA-N 370.361 2.146 0 40 FEAB O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)NC[C@H]1CCCO1 103562788 KNUQOPGAJDBQKG-QGZVFWFLSA-N 370.453 2.211 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 879167 GRXZNHDODKZEPI-UHFFFAOYSA-N 363.391 2.071 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 23130464 OOHBNZVIBPOGQI-UHFFFAOYSA-N 374.368 2.136 0 40 FEAB O=C(c1cc2ccccc2oc1=O)N1CCN(CCc2ccccn2)CC1 54240240 DTXMNXKKQFTCHP-UHFFFAOYSA-N 363.417 2.189 0 40 FEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC(=O)Nc1ccccc1F 7046968 XYFDVJKTJSJSKQ-UHFFFAOYSA-N 361.373 2.183 0 40 FEAB O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1COCCO1 55846230 CMYKCPPABSVZHY-HNNXBMFYSA-N 369.508 2.466 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c(OC)c1 56355099 TVBBXSPMXIFSMT-UHFFFAOYSA-N 361.442 2.114 0 40 FEAB C[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1Sc1ccccc1 107356052 XORQFOUCMMWULT-ZDUSSCGKSA-N 364.492 2.392 0 40 FEAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1 12374092 VURJQDYWPNSBIM-UHFFFAOYSA-N 365.437 2.411 0 40 FEAB COc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1 57335209 LQWURSGDJNMOTM-GFCCVEGCSA-N 362.376 2.451 0 40 FEAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525616 MVBDKMDZFUHVAH-UHFFFAOYSA-N 351.406 2.210 0 40 FEAB COCCn1cnn(CN2CCN(c3ccccc3Cl)CC2)c1=S 27191307 KYUXVIUZLGOWNY-UHFFFAOYSA-N 367.906 2.494 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(S(N)(=O)=O)c1 27398228 LVZBLMIJACYVBQ-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB CCCCN1CCCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1 58148420 PJLJGUPLEMXCHI-GOSISDBHSA-N 359.518 2.464 0 40 FEAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408605417 KCLPJSGZDNQTMK-LLVKDONJSA-N 362.879 2.322 0 40 FEAB Cc1ccc(N2CCN(CCCCN3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 2183394 HRJHDAXXWFXELB-LJQANCHMSA-N 370.497 2.324 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)O[C@H](C(N)=O)c3ccccc3)cn2)C[C@@H](C)O1 47864164 MKOCXKRCGFTYBC-IYOUNJFTSA-N 369.421 2.079 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccc(F)c2)N1)OCCCO4 12630182 MAKKWRBPBLUKKS-MRXNPFEDSA-N 353.357 2.433 0 40 FEAB O=C(O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3309084 VDHKYRRCXFELNR-UHFFFAOYSA-N 352.375 2.210 0 40 FEAB O=C(COC(=O)Cc1ccc(Cl)cc1)NC(=O)NCc1ccccc1 3308823 GTPAWUOCCMLCLC-UHFFFAOYSA-N 360.797 2.452 0 40 FEAB CCN(C(=O)CN(C)S(=O)(=O)c1c(C)noc1C)c1ccccc1C 12914630 ABSQWSWVNANZJW-UHFFFAOYSA-N 365.455 2.273 0 40 FEAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccco1)N1CCOCC1 15831817 SHDAWZKCIBYMHZ-QGZVFWFLSA-N 358.438 2.465 0 40 FEAB CCCCN(C(=O)CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8388909 QASLHAFSNJEKJF-UHFFFAOYSA-N 358.442 2.100 0 40 FEAB Cc1c(NCC(=O)N2CCC[C@H]3CCCC[C@H]32)cccc1C(=O)NCCO 177242625 RKLIHABNLHDAIA-VQIMIIECSA-N 373.497 2.310 0 40 FEAB COc1cccc(CNC(=O)c2nsc(C(=O)NC3CCCC3)c2N)c1 65118377 UBKSKVCTMGZUMS-UHFFFAOYSA-N 374.466 2.336 0 40 FEAB COc1ccc(CNC(=O)CCNC(=O)c2ccccc2C)cc1OC 7955543 ZWWVBLZZMXGXKU-UHFFFAOYSA-N 356.422 2.449 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc2c(c1)OCO2 18156553 JEYDURLZOJXYPT-UHFFFAOYSA-N 370.405 2.202 0 40 FEAB CN(C(=O)COc1ccc(Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 8726094 FPMVAMBJQSSYGL-QGZVFWFLSA-N 374.462 2.455 0 40 FEAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCO2 9512760 ZWTNKWMJXFKEJR-NSHDSACASA-N 371.418 2.107 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)NC[C@H](c3ccco3)N(C)C)CC2=O)cc1 9605008 DSRNCOZYGBUFHK-QZTJIDSGSA-N 369.465 2.356 0 40 FEAB CC(C)c1nnc(NC(=O)CCc2nc3ccccc3n(C)c2=O)s1 72405977 UJELUFLAPXLSCM-UHFFFAOYSA-N 357.439 2.480 0 40 FEAB Cc1c(C(=O)NCC(C)(C)N(C)C)nnn1-c1cccc2cnccc12 95953767 VCBBNTRIFABJEJ-UHFFFAOYSA-N 352.442 2.194 0 40 FEAB CN1C(=O)C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 89374743 RHRNQVYZSGDCCS-UWJYYQICSA-N 368.408 2.391 0 40 FEAB CCNC(=O)COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OCC 9913427 VUKRCTYXWFTWDT-IBGZPJMESA-N 369.421 2.454 0 40 FEAB COC(=O)[C@H](Cc1cc(OC)c(OC)cc1F)NC(=O)OC(C)(C)C 65735066 XSGLZBFKZWVZOE-LBPRGKRZSA-N 357.378 2.452 0 40 FEAB in-vitro O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCCCO1 555122780 HDNWBRIPEKYDOV-CYBMUJFWSA-N 373.331 2.428 0 40 FEAB O=C(NCCO)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408975356 ARTDWAHGBXMGCY-UHFFFAOYSA-N 371.400 2.476 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1nc2ccccc2[nH]1 513956371 ZSNBWCBIYQMYMY-OAHLLOKOSA-N 350.382 2.438 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)c1 39220755 MQZJEUGDMFGOCM-KRWDZBQOSA-N 351.406 2.405 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OC)C2=O)o1 33803274 LIEREAIURIJDPE-LCYFTJDESA-N 356.334 2.168 0 40 FEAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218399212 QBSMVEUEHCUFIK-ZIFCJYIRSA-N 359.447 2.195 0 40 FEAB O=C(CCC(F)(F)F)N1CCCN(S(=O)(=O)c2ccccc2)CC1 79724760 VGQBVDNTEMQGKJ-UHFFFAOYSA-N 364.389 2.252 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031247 XSNBCAXEMQFVII-OAHLLOKOSA-N 374.491 2.244 0 40 FEAB COc1cc(OC)cc([C@H](C(=O)O)N2CCC[C@H](c3nc(C)no3)C2)c1 567596099 XMRZKJOQLQSEOA-BLLLJJGKSA-N 361.398 2.401 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2cnc3ccccc3n2)CC1 44448803 ITJMWAKWWQCUTK-UHFFFAOYSA-N 351.410 2.193 0 40 FEAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN(c2ccccc2F)CC1 225720378 PPUGEPZOSKTSRQ-UHFFFAOYSA-N 365.408 2.489 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)Nc2c[nH]nc2-c2nccs2)[C@]12CCCO2 571249136 JSZYHPMXBXRLKG-HWWQOWPSSA-N 363.443 2.381 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(O)CCc2ccccc21 75155743 HKFBZURSSSATJU-QGZVFWFLSA-N 367.854 2.461 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)ccc1Cl 223876641 RZTCLQUVVHJXBH-ZIAGYGMSSA-N 361.847 2.051 0 40 FEAB Cc1ncc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(C(C)C)n1 333650888 YYOIUVCUHWKBKM-UHFFFAOYSA-N 354.458 2.185 0 40 FEAB O=C(N1CCCC1)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 96217957 JOONZTNHKKFLJJ-AWEZNQCLSA-N 354.414 2.204 0 40 FEAB Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 96111818 KFLSJZPCIFAPEQ-RDJZCZTQSA-N 352.438 2.199 0 40 FEAB biogenic,in-vitro O=C(NCc1cccnc1)[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1 247507204 RVJKDJATTMCLDH-LJQANCHMSA-N 368.481 2.058 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257308317 TWHOKFXVVSNEJH-CYBMUJFWSA-N 360.435 2.271 0 40 FEAB Nc1cnc(C[C@@H]2CCCN(S(=O)(=O)c3cccs3)CC2)cn1 257241436 HYANRZZGIOILFM-GFCCVEGCSA-N 352.485 2.154 0 40 FEAB COC(=O)c1ccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1F 597118094 ZMFFXPMHURSJCA-UHFFFAOYSA-N 371.412 2.068 0 40 FEAB CCS(=O)(=O)N[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988464 GBKBNVONRHMKRK-WDEREUQCSA-N 360.361 2.141 0 40 FEAB Cc1nn(C)c(=O)c(-c2nc(CN[C@](C)(CO)C(C)C)cs2)c1C 685598261 COKGEQDNFPLNNJ-QGZVFWFLSA-N 350.488 2.017 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Cl)c23)C[C@H]1c1cnn[nH]1 622165830 SUWSXXGYENWYCC-XHDPSFHLSA-N 359.817 2.123 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H](C)O2)n1 628856469 HSSCEGQLGHFDJJ-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB CCc1noc(COC2CN(C(=O)[C@H](C)c3c(F)cccc3F)C2)n1 644217842 MGZFYBKMSSGCHL-SNVBAGLBSA-N 351.353 2.441 0 40 FEAB O=S1(=O)CC[C@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 575420033 DJRQFHIRGIYVQJ-FQEVSTJZSA-N 358.507 2.466 0 40 FEAB COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2nccn2C)C[C@H]3OC)c1 585290961 JKUYCGQBOIMDHW-ILZDJORESA-N 357.454 2.202 0 40 FEAB COc1ccc(S(=O)(=O)N(C2CCCCC2)C2CC2)cc1C(N)=O 58381896 YZSLRIYYOPPIIU-UHFFFAOYSA-N 352.456 2.280 0 40 FEAB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859042 PHQUVNZHPNRIJE-NRUUGDAUSA-N 366.723 2.124 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2CCC[C@@H](C)C2)n1 12186031 HXYSXYFZNPLQDJ-IUODEOHRSA-N 357.458 2.080 0 40 FEAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 12221858 XRPKKLNDMWYVBX-LLVKDONJSA-N 367.384 2.216 0 40 FEAB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1 8371574 UOPKFDPJKGWNAP-LFIBNONCSA-N 364.357 2.448 0 40 FEAB COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 8106385 YDIXRGTVZUSYID-UQCOIBPSSA-N 358.579 2.213 0 40 FEAB O=C(Nc1cc(-c2ccncc2)[nH]n1)C1CN(C(=O)C2CCCCC2)C1 519692254 ZBAAHMRIJADOBT-UHFFFAOYSA-N 353.426 2.449 0 40 FEAB O=C(c1cncc(Br)c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 244933289 CKRIWGAKBKIEPQ-CYBMUJFWSA-N 362.231 2.400 0 40 FEAB CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O 1848356884 ZZULQYUGMZENDD-QGPMSJSTSA-N 359.474 2.416 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 28267995 NUCVRVJEKFORAM-UHFFFAOYSA-N 371.462 2.329 0 40 FEAB Cc1ocnc1C(=O)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037984696 KRPNQPDSFHGGCM-PBHICJAKSA-N 359.401 2.490 0 40 FEAB O=C(c1cccc(Cl)n1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552591 OEUSFYPUPRGBFL-SCLBCKFNSA-N 373.844 2.401 0 40 FEAB CC(C)N(C)CC(=O)N1CC[C@@]2(COc3ccc(-c4cnn(C)c4)cc32)C1 1565553538 CGWPQAKBGCXKAT-NRFANRHFSA-N 368.481 2.290 0 40 FEAB CCCc1nc(SCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4139008 WZFXXRYXGVJATI-UHFFFAOYSA-N 374.441 2.411 0 40 FEAB O=C(NCCNC(=O)c1nc(-c2cccs2)no1)c1cccc(F)c1 15082104 MFHWIIRFLQDWLA-UHFFFAOYSA-N 360.370 2.097 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]2O1)NC1CCC1 2055714571 IKPYUAVWCLGKTJ-NTHZEELISA-N 360.479 2.436 0 40 FEAB O=C([C@H]1CN(c2nc3ccccc3o2)CCO1)N1CCC(F)(F)CC1 2086889240 UZTKVAAXUDVJAG-CQSZACIVSA-N 351.353 2.291 0 40 FEAB CCc1sc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1C 40052400 CHZASJCOZVVPSJ-UHFFFAOYSA-N 362.499 2.369 0 40 FEAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40159528 RELHRQJPQOEKML-AWEZNQCLSA-N 372.391 2.047 0 40 FEAB CCCn1c(=O)n(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 58407588 NLYVWIRJRWRIDY-SFHVURJKSA-N 374.462 2.350 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N(C)CCOc3ccccc3)cnc12 16202999 BCVIVIUTPBMKDK-UHFFFAOYSA-N 351.406 2.242 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCCCCC1 3563589 JBDIBGPUPXPVHV-HXUWFJFHSA-N 355.438 2.219 0 40 FEAB CCOCCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 4861475 JTCHTEKTTICVCI-UHFFFAOYSA-N 363.418 2.280 0 40 FEAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 7223078 JAVXLQXJIWSCBV-LBPRGKRZSA-N 363.439 2.172 0 40 FEAB O=c1n(CCN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccn12 32778013 UUMXWJCEVJINEP-INIZCTEOSA-N 366.421 2.104 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 32899175 JBYSSXUXTGKXJO-AWEZNQCLSA-N 372.450 2.160 0 40 FEAB Cn1ncc2c(SCC(=O)c3ccc(N4CCCC4=O)cc3)ncnc21 11685391 UIVDZDVJVNOQRQ-UHFFFAOYSA-N 367.434 2.465 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 102687980 YZRQPYPGJKUENX-QYOFDKIESA-N 352.173 2.277 0 40 FEAB CCOc1cc(CN(CC(=O)NC(=O)NC)C2CC2)ccc1OC(F)F 16419387 KCUHKGYXBFQAAW-UHFFFAOYSA-N 371.384 2.107 0 40 FEAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 2625469 PXEPOXBUJXFVGX-UHFFFAOYSA-N 369.406 2.430 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc1 22413958 CMWOYYRUIFFDFS-OAHLLOKOSA-N 363.414 2.321 0 40 FEAB COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 22697941 HXUWRPPFJXOHJT-GOSISDBHSA-N 358.438 2.329 0 40 FEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(Br)c1 823446 KWIHVPCYHAZRLA-GFCCVEGCSA-N 355.188 2.259 0 40 FEAB O=C(N[C@H]1CCCCNC1=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 54003067 IZIRUZWEOYSBDC-HNNXBMFYSA-N 374.391 2.038 0 40 FEAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 23076675 GDPXTDFTELQANR-QPJJXVBHSA-N 355.325 2.190 0 40 FEAB CNC(=O)c1ccc(NC(=O)N(CCO)Cc2ccccc2OC)c(C)c1 47541734 IAFVUBVNOYONHG-UHFFFAOYSA-N 371.437 2.390 0 40 FEAB CCN(C(C)=O)c1nc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cs1 24808947 GNVMQTZWOZJJIB-UHFFFAOYSA-N 371.466 2.384 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CCOc2ccc(C)c(C)c2)CC1 28295320 CPIMLNMJMJEIKM-KRWDZBQOSA-N 350.459 2.207 0 40 FEAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 28207194 DIWMACCPLSHQDL-AWEZNQCLSA-N 362.451 2.193 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 57478875 KIJUNUAGPXULGH-UHFFFAOYSA-N 373.434 2.282 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccnc(N3CCCCC3)c2)C1 57991950 BUEJGZACOIPYSM-KRWDZBQOSA-N 373.501 2.130 0 40 FEAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc(Cl)c2)cc1 58162195 FADPRAOBWYNIDR-UHFFFAOYSA-N 363.830 2.331 0 40 FEAB COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(C)nc2)CC1 58282105 GJIRCJJWQZODNC-UHFFFAOYSA-N 367.449 2.362 0 40 FEAB COc1cccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1 12630167 LEXSNYWOKNVSQO-QGZVFWFLSA-N 365.393 2.303 0 40 FEAB Cc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1Cl 2263164 IZOBQDFYLUTZOX-APSNUPSMSA-N 370.865 2.150 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 20492157 RZCTXEWQKIZYOD-CYBMUJFWSA-N 352.456 2.477 0 40 FEAB Cn1c(=O)n(CC(=O)Nc2cccc(N3CCCC3=O)c2)c2ccccc21 12739515 BFJFGVRDJNHJSC-UHFFFAOYSA-N 364.405 2.106 0 40 FEAB COC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 12862240 RQJFJXVGDCYKHR-UHFFFAOYSA-N 368.389 2.400 0 40 FEAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)c1nc(N)nc(N(C)C)n1 12917865 VEISBRDTESEYTE-SECBINFHSA-N 369.454 2.020 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 13061165 WSBLTJYFXHKWNW-ZDUSSCGKSA-N 353.850 2.291 0 40 FEAB C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 8311934 MUHJSZSXIZAGRR-QEEYODRMSA-N 357.454 2.407 0 40 FEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 5252786 LIINWKLQOMJOMV-UHFFFAOYSA-N 360.391 2.159 0 40 FEAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2ncccn2)CC1 14158998 YQMWAXGYHAUPKV-QGZVFWFLSA-N 355.442 2.025 0 40 FEAB COc1ccc(/C=C/C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4505012 KEVANGKAHCYNTL-YXMGTMDOSA-N 351.468 2.380 0 40 FEAB COc1ccccc1CCNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 17128764 XQOISQGRSBEPPZ-UHFFFAOYSA-N 366.421 2.316 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)cc1 4694866 JJCFOHGLADYCNF-UHFFFAOYSA-N 352.843 2.325 0 40 FEAB C[C@@H](Sc1nnc(Cc2cccs2)o1)c1nc(N)nc(N(C)C)n1 66261610 OQZIRQPXMLQOQY-MRVPVSSYSA-N 363.472 2.408 0 40 FEAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 7131604 LHSIZYMMNHZCMV-GOSISDBHSA-N 365.380 2.181 0 40 FEAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cccc(Cl)c1 18263955 YZLOYHHMXVLCLT-SNVBAGLBSA-N 367.810 2.416 0 40 FEAB C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cnc2ccccc2c1=O 96118863 MNRWJSYFKVQTDX-CYBMUJFWSA-N 361.405 2.193 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2F)N1)OCCCO4 9835482 ZUXCJQURDFDGJN-INIZCTEOSA-N 353.357 2.433 0 40 FEAB CC(C)C(=O)NCCN(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 95453645 NFLURGJDCJACLN-INIZCTEOSA-N 374.485 2.161 0 40 FEAB CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cnn(C)c1 78751537 IMHDNHDMQAGENW-UHFFFAOYSA-N 373.848 2.115 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)Cn1c(=O)n(C)c2ccccc21 9960596 CUZKDDIDUCBQCS-UHFFFAOYSA-N 368.389 2.295 0 40 FEAB CN(C)CCOc1cccc(CNC(=O)N2CCC(N3CCCC3)CC2)c1 79180828 UVBXHRSOPAGUII-UHFFFAOYSA-N 374.529 2.397 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)cc1Cl 20634499 XGPCZWCBLGOJBY-OAHLLOKOSA-N 364.829 2.119 0 40 FEAB COc1cc2c3cnn(CN4CCCCC4)c(=O)c3n(C)c2cc1OC 79191104 OLJZJUAWZOEURW-UHFFFAOYSA-N 356.426 2.349 0 40 FEAB biogenic CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)s1 548537279 QAERERXTIKCEBK-MNOVXSKESA-N 361.485 2.204 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 31357595 BJBNUOXYXHSSPS-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cn1cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(C(F)F)n1 1519144401 HYIATJMYYWGPET-UHFFFAOYSA-N 370.381 2.150 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2cc[nH]c2c1 72406293 JGZJBPBKSIBXJL-UHFFFAOYSA-N 369.402 2.341 0 40 FEAB COc1cc(OC)cc(-c2cccc(NC(=O)[C@H]3CCNC(=O)C3)n2)c1 563845338 HCDXPDBNBXQJEC-LBPRGKRZSA-N 355.394 2.231 0 40 FEAB O=C(N[C@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1)c1ccc2nsnc2c1 225627584 FKPMNAHJIRCYOG-MEDUHNTESA-N 365.418 2.021 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(c2ccccc2)CC1 225834880 QOZBWUNXEPRERV-UHFFFAOYSA-N 363.421 2.413 0 40 FEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)COc1ccc2c(c1)CCC(=O)N2 525530474 MUHOPPNDOMEFPI-ZMYBRWDISA-N 358.438 2.270 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)no1 96106758 SHKLJVKJFXKFCA-INIZCTEOSA-N 357.410 2.359 0 40 FEAB CC(C)(C)n1ncc2c(O)nc(NC[C@H](CO)c3ccc(F)cc3)nc21 576089200 OECCAXQMLFLYMT-GFCCVEGCSA-N 359.405 2.614 0 40 FEAB CN1C[C@H]2C3(CCN(Cc4ccccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036288 BOWQIGSJDKFXMM-GHTZIAJQSA-N 356.514 2.094 0 40 FEAB Cc1cnc(C(=O)N2Cc3cncn3C[C@@H](COCC3CCC3)C2)cn1 96206620 WFRFDLTUJNYISR-INIZCTEOSA-N 355.442 2.070 0 40 FEAB Cn1nccc1C(=O)N1Cc2cccn2[C@@H](CCOc2ccccn2)C1 248077291 ZMLUHRPFSUJAQA-INIZCTEOSA-N 351.410 2.283 0 40 FEAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCC1(C(F)(F)F)CC1 582187237 KAGWPPJSHABDGA-UHFFFAOYSA-N 356.348 2.443 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C(=O)C4CC4)CCN3C(C)(C)C2)cc1 253409200 ZUKBDDMMMXNPGK-GOSISDBHSA-N 357.498 2.212 0 40 FEAB biogenic,in-vitro CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCc2cccs2)n1 257300292 RTSWOUNCAQAQGH-QGZVFWFLSA-N 358.467 2.471 0 40 FEAB Cc1cc(C)nc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257224000 DZWKELVZNOJJMW-QGZVFWFLSA-N 357.410 2.130 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)cnn1C 257293022 QNVPMHDAVWIZKL-INIZCTEOSA-N 352.442 2.339 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cnccn3)C2)n1 257306435 SUGQEYHTBQCSKB-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257333012 XZRCLNVPOQOKIP-AWEZNQCLSA-N 370.428 2.412 0 40 FEAB O=C(CCCn1ccnc1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257302838 SERHDWZOOBXIHG-HNNXBMFYSA-N 354.414 2.165 0 40 FEAB Cn1cc(CC(=O)N2C[C@@H]3CC[C@]3(Nc3nc4ccccc4o3)C2)cn1 1615831921 HXEQHZRUILIGFI-LIRRHRJNSA-N 351.410 2.207 0 40 FEAB O=C(NC1CCS(=O)(=O)CC1)c1ncsc1Nc1ccccc1 666392142 YSQPDZXDIWRUHI-UHFFFAOYSA-N 351.453 2.194 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CCO1 669503374 FEJHUCFDQAGRAP-QWHCGFSZSA-N 360.332 2.045 0 40 FEAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-n3cnnn3)c(C)c1)CCO2 681010980 QXGCUQFCFXQQIM-INIZCTEOSA-N 365.393 2.233 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C)N2CCc3ccccc32)C1 1775957168 GUXRQHLFPIMVRC-YLQAJVPDSA-N 356.426 2.118 0 40 FEAB Cc1noc(Cc2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)n1 96097019 PAIQYWSVZZGFMY-UHFFFAOYSA-N 361.365 2.197 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)c1cscn1 585112845 XGKNCZHUCZUJSX-CYBMUJFWSA-N 357.439 2.310 0 40 FEAB O=S(=O)(NCC[C@@H]1CCOC12CN(C1CCCC1)C2)c1ccccc1 585103307 UICNSLNJYCUUNW-MRXNPFEDSA-N 364.511 2.389 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)n1 75605266 WOAQZZFATGXTIY-UHFFFAOYSA-N 369.498 2.366 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)nn1-c1ccccc1 106078768 YASCAWYKOWWRIG-NVXWUHKLSA-N 368.481 2.391 0 40 FEAB Cn1cnc2c(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)ncnc21 1775969217 BZYSZAQEWXLEON-UHFFFAOYSA-N 367.457 2.059 0 40 FEAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000108 HROGLJKCUFQPDV-UHFFFAOYSA-N 373.796 2.001 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)NCc3cccs3)C2)n1C 5001467 IJKOSIRDGKDEGU-GFCCVEGCSA-N 365.528 2.094 0 40 FEAB CC1(C)C[C@@H](CC(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)C(=O)O1 12220934 VGGJQMUCVCWUKX-QWHCGFSZSA-N 356.426 2.396 0 40 FEAB CN(C)CC(=O)N1Cc2ccccc2OC2(CCC(CN(C)C)CC2)C1 12365614 PXCMJJYYPDFQAO-UHFFFAOYSA-N 359.514 2.460 0 40 FEAB Cn1c(N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)nc2ccccc21 19289977 KUAYJQIPFSJUBZ-MRXNPFEDSA-N 366.469 2.193 0 40 FEAB CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929817 WBXNTBMIJAOXSX-UHFFFAOYSA-N 368.499 2.417 0 40 FEAB C[C@@H](c1ccccc1)n1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1 4986266 IHWBXVFYMUQQNG-HOCLYGCPSA-N 364.405 2.457 0 40 FEAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCC(N)=O 8179401 OWYLLAURJJXBML-DHDCSXOGSA-N 366.373 2.212 0 40 FEAB Cc1nc(C)n(CC(=O)N2C[C@H]3CCc4cn(C(C)(C)C)nc4[C@H]3C2)n1 19285767 AJUSAJRCSLBXSC-ZBFHGGJFSA-N 356.474 2.035 0 40 FEAB CC(C)(C)n1cc(CNc2ccc(C(=O)N3CCC(CO)CC3)cc2)nn1 579929628 MQCJKVQSYYBJTG-UHFFFAOYSA-N 371.485 2.490 0 40 FEAB O=C1[C@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C(=O)N1Cc1ccccc1 1888856658 RSLHEPOJWPVBNT-KBPBESRZSA-N 354.435 2.037 0 40 FEAB O=C(COc1ccccc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888869428 MKARNACBSWREFZ-CALCHBBNSA-N 364.449 2.328 0 40 FEAB Cc1ccc(C)c(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1889119507 AYCOIAJMUAMRPB-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@H]3CN(c4ccccn4)C[C@@H]32)c1 1889139340 LAVICOYJFVMENG-KSSFIOAISA-N 353.422 2.450 0 40 FEAB CN1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3ccccc3F)[C@@H](O)[C@@H]21 1848354856 GKPDGZIAFMSHPQ-UTRMSSBJSA-N 356.397 2.345 0 40 FEAB COC(=O)c1n[nH]c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc12 28025816 WMMREJGTEBQTER-UHFFFAOYSA-N 366.377 2.108 0 40 FEAB O=C(c1n[nH]c2c1CCCC2)N1CCC(O)(COc2ccccc2)CC1 2037909248 IHUZNLNMUKLEHE-UHFFFAOYSA-N 355.438 2.335 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037989193 YTWPLHXVOOQQTF-UHFFFAOYSA-N 368.437 2.132 0 40 FEAB COc1ccc(OC)c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1 10325720 PJPZLDCXGPNWSK-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1ccc2c(c1)OCCO2 13707530 FNIQSQWKYTZINK-UHFFFAOYSA-N 352.350 2.418 0 40 FEAB COc1ccc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1 1137036372 HWKJZLKWZWFVRQ-UHFFFAOYSA-N 353.348 2.221 0 40 FEAB CC(=O)Nc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 12142842 LKHMCIUSRZBPOB-UHFFFAOYSA-N 366.469 2.176 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@](C)(O)Cc2ccc(OC)cc2)cc1 75155546 FXNILWMVCVPUPI-HXUWFJFHSA-N 357.406 2.205 0 40 FEAB O=C(Nc1ccccc1)N1CCN(Cn2c(=O)oc3ccccc32)CC1 23702976 TUZMDNJYAOPGCP-UHFFFAOYSA-N 352.394 2.402 0 40 FEAB C[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)N(C)C 40121223 PITUDSKJZDQCLR-CQSZACIVSA-N 354.454 2.483 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1 40158441 FBHVRKHTHWAHMU-UHFFFAOYSA-N 374.466 2.256 0 40 FEAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCC1=CCCCC1 40161534 DWLXSYDJYBXJTN-UHFFFAOYSA-N 355.482 2.451 0 40 FEAB COCc1[nH]c2nc(C(F)(F)F)nn2c(=N)c1-c1ccc(OC)cc1 105886703 QVZICKAVXDDIIQ-UHFFFAOYSA-N 353.304 2.378 0 40 FEAB CC(C)CCN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408561 UZUCQQXWIFSCAI-JKSUJKDBSA-N 370.902 2.200 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 3550346 JOJOSZXHFBSFCB-UHFFFAOYSA-N 370.438 2.142 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 4497840 WFZGTNVZMQDOLD-UHFFFAOYSA-N 354.472 2.156 0 40 FEAB CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2113799 VLYUYUFHKXMBBC-HNNXBMFYSA-N 373.405 2.338 0 40 FEAB biogenic O=C(CCn1ccnc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 58218774 MZUCSJZRYPQFEO-UHFFFAOYSA-N 362.455 2.087 0 40 FEAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)[C@@H]1c1cccs1 106674003 OHDSCTPUHQZEOS-XTQGRXLLSA-N 358.467 2.195 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)CC[C@@H]3CCCO3)c(C)c12 58330150 MIJBROKKLAMDAE-DOMZBBRYSA-N 374.485 2.275 0 40 FEAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cnn2cccnc12 604850825 IETGADINGKKLQC-GFCCVEGCSA-N 373.363 2.339 0 40 FEAB Cc1ccc(OCC(=O)NCCn2cc(Br)cn2)cc1C 28241262 FHMIFLYEAASFHW-UHFFFAOYSA-N 352.232 2.458 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(CCOc2ccccc2F)CC1 24258864 VMZQGTARDLBKIG-UHFFFAOYSA-N 370.471 2.273 0 40 FEAB Nc1ncnc2sc3c(c12)CCN(C(=O)COc1ccc(F)cc1)C3 12555202 IVRVOYCIQVRPRK-UHFFFAOYSA-N 358.398 2.376 0 40 FEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCC1 12772659 WCTYZUFPPVSQNY-OAHLLOKOSA-N 363.483 2.343 0 40 FEAB CCc1cc2c(=O)n(NC(=O)CCCNC(=O)C(C)(C)C)cnc2s1 12977272 FGKJPMNBAUDANZ-UHFFFAOYSA-N 364.471 2.033 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408602179 IDQKSQXHZSSRQX-JTQLQIEISA-N 370.377 2.279 0 40 FEAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(C)on2)cc1 5033982 OJOUTQSCZVSHLB-SNVBAGLBSA-N 360.399 2.087 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C(N)=O)c2ccccc2)c1 14050353 BAJJZBCBRRXYTI-AWEZNQCLSA-N 367.810 2.127 0 40 FEAB CN1CCN([C@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 20141831 IPUZWWUITFBFJF-QGZVFWFLSA-N 354.483 2.120 0 40 FEAB Cc1sc2nc([C@H](C)N3CCN(C(=O)C(C)C)CC3)[nH]c(=O)c2c1C 14114452 DNBNHBQDUGTUMZ-LBPRGKRZSA-N 362.499 2.463 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5557952 APXKNGYHQLXJKZ-INIZCTEOSA-N 366.417 2.170 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCN(C)CC2)nc1 6865216 OKGIXFHIELDQGE-UHFFFAOYSA-N 374.510 2.439 0 40 FEAB CSCc1nnc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 9722040 DIXFMWOJHXGFGI-SECBINFHSA-N 364.452 2.399 0 40 FEAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1N1CCOCC1 7722802 IDVLROBFLRHADI-UHFFFAOYSA-N 350.419 2.249 0 40 FEAB CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7987094 PATZWEHFDRJKRR-UHFFFAOYSA-N 366.483 2.274 0 40 FEAB O=C(CSc1nnc(NC2CC2)s1)NC(=O)NCc1cccs1 16674854 NQPIZZCOYPFNEA-UHFFFAOYSA-N 369.497 2.292 0 40 FEAB Cc1cccc(CN(C)[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)n1 72308491 FMFHMFTYMKLQCP-QGZVFWFLSA-N 368.481 2.265 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)nc1C 95453326 WVZLQPFJYQGHRG-XJKSGUPXSA-N 351.472 2.044 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306140040 UHZNTWWLIZXWRK-LSDHHAIUSA-N 373.888 2.374 0 40 FEAB CSCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccc(C)n1 306135057 OGIYIICKIWXKRO-HNNXBMFYSA-N 350.484 2.277 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2O1 69614897 OVASGHPSTPPQLD-SFHVURJKSA-N 371.389 2.214 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2cnc3cc(C)nn3c2C)c1 532603179 QAZDBQHDJDPVJZ-MRXNPFEDSA-N 368.393 2.301 0 40 FEAB CC(C)CCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217635327 KMRJQYMEFUHOAT-CYBMUJFWSA-N 370.471 2.300 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 552449553 HGGMNPTWXCFPMG-IRXDYDNUSA-N 370.474 2.299 0 40 FEAB C[C@@H]1Cc2c(NC(=O)c3ccc(Br)o3)nn(C)c2NC1=O 35597739 FMSJWZNSFPICAB-ZCFIWIBFSA-N 353.176 2.159 0 40 FEAB CCc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 216290695 CFLNDJZTRFWDQM-UHFFFAOYSA-N 364.442 2.471 0 40 FEAB COc1cccc(N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c1 30963651 CPKMLPQXYBRLHG-UHFFFAOYSA-N 370.478 2.395 0 40 FEAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOC[C@@H](C3CCC3)C2)c1 562626431 YXIJFQMTDYHLOU-INIZCTEOSA-N 366.483 2.391 0 40 FEAB CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 33738611 GGQHQUAQSCSDQZ-UHFFFAOYSA-N 366.414 2.166 0 40 FEAB O=C(O)c1oc2ccc(Br)cc2c1CN1CCS(=O)CC1 563278818 WEFWVBNVGJQFHY-UHFFFAOYSA-N 372.240 2.458 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c(C)c1 69343166 YAEHVMJHRDFKLS-GJZGRUSLSA-N 355.456 2.083 0 40 FEAB CCOc1ccnc(N2CCCN(C(=O)[C@H]3Cc4ccccc43)CC2)n1 330177828 DFSWSVNDLPXRSU-KRWDZBQOSA-N 352.438 2.254 0 40 FEAB O=S1(=O)N[C@@H]2CN(CCCc3ccccc3)C[C@@H]2Oc2ccccc21 514288859 CNWQLECQZHUEKA-AEFFLSMTSA-N 358.463 2.043 0 40 FEAB biogenic,in-vitro Cc1nocc1C(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96228173 FVKZTXUPHXMUQB-UHFFFAOYSA-N 354.410 2.175 0 40 FEAB COc1ccccc1CNC(=O)c1noc(-c2ccc3c(c2)OCO3)n1 96125459 OQXSYHKDHBMXLJ-UHFFFAOYSA-N 353.334 2.404 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247821009 DAJVVEGNDGQPNI-HNNXBMFYSA-N 371.462 2.402 0 40 FEAB CN1CCC(CC(=O)N2CCC[C@H](CN(C)Cc3cccnc3)C2)CC1 585085491 DBKOXRQANJVFGQ-HXUWFJFHSA-N 358.530 2.484 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3c(C)oc4c3CCCC4)CCO2)n1 257281659 OQIXHEQQSFCHQN-MRXNPFEDSA-N 357.410 2.485 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 257247005 IWXVZIFVBBHOBT-JFIYKMOQSA-N 372.513 2.376 0 40 FEAB Cc1nc(C[C@@H]2CCCN(c3ccnc(C)n3)C2)cc(C(=O)N(C)C)n1 257317903 VLQHYGQPCUFKNW-HNNXBMFYSA-N 354.458 2.044 0 40 FEAB CC(C)OC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 252587385 XUDVSBBARMDEJE-SYNHAJSKSA-N 373.453 2.188 0 40 FEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1(F)F 289909600 YDEPBYRPAYQOFL-SECBINFHSA-N 362.379 2.027 0 40 FEAB COc1ccc([C@@H](CNc2nc(N)nc(Cl)c2N)N(C)C)cc1OC 1639151243 YUPAYZWBLCDAPR-SNVBAGLBSA-N 366.853 2.026 0 40 FEAB C[C@@H](CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 299615368 VUKCICXLWBAIHW-JKSUJKDBSA-N 367.515 2.151 0 40 FEAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093445 WYHVNOCSXLTMGR-INIZCTEOSA-N 353.369 2.093 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)c1cccnc1 585112425 PXUSVKHKXGRBEX-SFHVURJKSA-N 362.437 2.050 0 40 FEAB Cc1csc(=O)n1CCCC(=O)NCCc1ccc2c(c1)OCCO2 31352336 DXUKUJURRQYUCM-UHFFFAOYSA-N 362.451 2.129 0 40 FEAB CN(C)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1 1163637357 KWJHVOVRXJTZKZ-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NC[C@H]3COC4(CCCCCC4)O3)cc12 95991689 AVWUOQUXDHLRND-HNNXBMFYSA-N 358.442 2.472 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H](N)CCO1 652384603 GOMOPULICNMTSF-BZUAXINKSA-N 356.463 2.184 0 40 FEAB CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CC1 19766924 HHLAWGSQFFWTDB-QGZVFWFLSA-N 373.501 2.073 0 40 FEAB CO[C@]1(COc2cccc(F)c2)CCN(C2CCN(C(C)=O)CC2)C1 1615143427 GFYJIJRBKIPIIJ-LJQANCHMSA-N 350.434 2.306 0 40 FEAB CCn1ncc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)OC)C2)c1C 12157227 OASUQEVXOJQEAK-SJORKVTESA-N 359.401 2.379 0 40 FEAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 15197746 QWVZSPBFGBUKKW-PXAZEXFGSA-N 361.419 2.107 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 19173340 MOPBWSNXSDONPH-OAHLLOKOSA-N 360.479 2.404 0 40 FEAB O=C(CCCN1C(=O)CCC1=O)N1CCC(Oc2ccccc2F)CC1 19350116 OCLINJPMLHWNDG-UHFFFAOYSA-N 362.401 2.125 0 40 FEAB CNc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(c3ccccc3OC)C2)s1 19560914 OVQBEZGBUXMNHD-LLVKDONJSA-N 360.439 2.037 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCc3[nH]c(C)nc3C1)CC2 163485526 OBLLVMKEMNEFLC-AWEZNQCLSA-N 355.438 2.425 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4nccn5nccc45)C[C@@H]3C2)nn1 1888897370 TXNDOEXVKFVTJZ-GASCZTMLSA-N 363.469 2.389 0 40 FEAB CN(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1cccc(F)c1 14140450 IQUIGXLJPOYCJL-UHFFFAOYSA-N 361.392 2.305 0 40 FEAB Cc1ccc(OCCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 25051565 VOPPZSUUCOSLFC-AWEZNQCLSA-N 362.451 2.289 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCn3ccnc3)C2)cc1C 2037913205 ZFWNECUYWXPJSV-HXUWFJFHSA-N 357.454 2.323 0 40 FEAB CCn1ccnc1CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037980991 POGZFRQBGDITCA-UHFFFAOYSA-N 353.470 2.370 0 40 FEAB O=C1CO[C@@]2(CCCN(C[C@H]3CCOC3)CC2)CN1c1cccc(F)c1 2037989058 SVKNUYIHZADHSV-OXQOHEQNSA-N 362.445 2.450 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(CCc3cccnc3)CC2)n1 2086928703 LVKJJCVRBJCINT-UHFFFAOYSA-N 352.486 2.145 0 40 FEAB CCc1cnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)nc1 2086964127 XTYFEJZJIOCHIR-HOTGVXAUSA-N 350.470 2.199 0 40 FEAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(C(=O)C1(F)CCC1)CC2 1565553681 HWRINPMYYKHBBK-UHFFFAOYSA-N 374.441 2.032 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 5245934 VSUQKKOSJVKIKA-QXSJWSMHSA-N 359.378 2.236 0 40 FEAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 5250979 QWGVCOIUPNNWKX-UHFFFAOYSA-N 360.797 2.409 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2cccnc2)CN1c1ccc(Cl)cc1 8808614 UXWLWFDYOYLASN-LBPRGKRZSA-N 365.842 2.066 0 40 FEAB COc1ccc(NC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 12342434 BWGHGRFMVANPMR-UHFFFAOYSA-N 365.389 2.108 0 40 FEAB COc1ccc(-n2c(C)nc3ccc(NS(C)(=O)=O)cc3c2=O)cc1 23143954 HXWBABRFGDOGMI-UHFFFAOYSA-N 359.407 2.074 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)n1)CCC2 585617410 KDAGNJWIDWJYFU-HZPDHXFCSA-N 350.470 2.253 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2ncccn2)cc1Cl 618256300 GBRDNWPSMMFAOC-CYBMUJFWSA-N 366.874 2.386 0 40 FEAB COC(=O)c1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 40040674 JDAHTGRKUACAKC-UHFFFAOYSA-N 357.406 2.392 0 40 FEAB CC(C)C(=O)NCCNC(=O)c1cnc2ccccc2c1N1CCCC1 40088096 HRMOSFQLOQVSNA-UHFFFAOYSA-N 354.454 2.337 0 40 FEAB COc1ncccc1CNC(=O)CCc1c(C)nc2cc(C)nn2c1C 31320581 ZTVBYOKJKAOZLJ-UHFFFAOYSA-N 353.426 2.307 0 40 FEAB CCSc1ncc2c(=O)n(CC(=O)N(C)C3CCCCC3)cnc2n1 20190969 TZCPRARNKUFWDT-UHFFFAOYSA-N 361.471 2.090 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(I)c1 1008747 ZCSUGMQAQRSLBZ-QMMMGPOBSA-N 369.224 2.377 0 40 FEAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2C(C)C)cc1 3522090 BHJNRRZZLSIVIS-JTQLQIEISA-N 363.443 2.210 0 40 FEAB CCC(CC)C(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 4222804 DHOXLUCHQWVEAQ-YLFCFFPRSA-N 362.426 2.322 0 40 FEAB biogenic,in-vitro O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1cccs1 6818005 HOLZECVJNZVEIG-UHFFFAOYSA-N 372.497 2.417 0 40 FEAB CN(CCOc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7684498 KHTVJEXHAKDZLV-UHFFFAOYSA-N 360.435 2.271 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)cc1 52987001 WWQPPIDTCSLOJM-QGZVFWFLSA-N 365.393 2.005 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@H](c1ccccc1F)c1nccn1C 36697756 KYFVHNPQFBDCHR-MRXNPFEDSA-N 374.441 2.387 0 40 FEAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NC[C@@H]1CCCO1 8272548 ANBCLEGXHBXWCA-AWEZNQCLSA-N 356.422 2.499 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2c(S)nc(C[C@H]3C[C@H]4CC[C@H]3C4)nc21 101266665 AOZDGYAUXZAFJW-SDDRHHMPSA-N 360.483 2.403 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 28922508 DFSUUDVBRHCLSG-FQEVSTJZSA-N 370.449 2.195 0 40 FEAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(-n2cncn2)cc1 11605572 RTXGBKLTOPGKAH-HNNXBMFYSA-N 373.420 2.398 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H](COc2ccc(F)cc2)[C@@H]2CC[C@@H]1C2 100113151 FBNRYCJPHOMJAM-FRFSOERESA-N 354.447 2.398 0 40 FEAB O=C(c1cc(NC2CCC(O)CC2)nc2ccccc12)N1CCOCC1 53214605 BUUUTOIKJOHOKT-UHFFFAOYSA-N 355.438 2.423 0 40 FEAB COC(=O)C[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(Cl)cc1 23056417 GUFVKWNYPFEODD-HNNXBMFYSA-N 360.797 2.473 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 939650 XCNIOVNMZMKALL-INIZCTEOSA-N 362.382 2.154 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cs1 57762998 UWKDHLOIWCNZFU-UHFFFAOYSA-N 368.436 2.305 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CSCN1S(=O)(=O)c1cccs1 46814081 LZJFLNIVVVTKQC-CYBMUJFWSA-N 368.505 2.128 0 40 FEAB O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccccc1 24653650 YEFWXTRKFRMJEB-CQSZACIVSA-N 350.465 2.390 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 22273516 IUFOSGUCNRZNAH-UHFFFAOYSA-N 350.415 2.250 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 35325524 PGHMHMROKMZTBL-KRWDZBQOSA-N 357.841 2.499 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2 57835867 BRYNFPIZYLUVFV-UHFFFAOYSA-N 361.419 2.100 0 40 FEAB O=C(NCc1ccccc1)NCc1cccc(OCCN2CCOCC2)c1 58159960 LJWCGAWHBJLTPY-UHFFFAOYSA-N 369.465 2.397 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nncn2-c2cccc(OC)c2)CCO1 58227661 VERKISAKUIUENW-CQSZACIVSA-N 362.455 2.005 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)cc1 3222897 FTUJXKGIWFGDPR-UHFFFAOYSA-N 370.438 2.430 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)CC1 58304479 YKQFFKAECUYXCO-ZDUSSCGKSA-N 362.426 2.060 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C[C@H]1C=CCC1 13001034 RZHKUXFRYPEDHK-LBPRGKRZSA-N 350.440 2.431 0 40 FEAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20488313 CSJRTQZQBRQOFG-CQSZACIVSA-N 353.488 2.267 0 40 FEAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(C(=O)O)cc1 13626020 FKOQCQLRMMLTHQ-UHFFFAOYSA-N 359.407 2.078 0 40 FEAB CSc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000089 XVQPXLUURQKDKX-UHFFFAOYSA-N 355.419 2.061 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1 4306713 SWHVZVDZSCSKHI-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1cccnc1N1CCCC1 65478769 CBXHQQSSJQLGMK-WMZOPIPTSA-N 373.501 2.304 0 40 FEAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1C 5345123 NHXQQIGBSYTARL-UHFFFAOYSA-N 372.402 2.310 0 40 FEAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)NC2CCCC2)cc1 14197751 BKSTURHRZMWZMD-GFCCVEGCSA-N 361.471 2.269 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 4555272 RHEDVHBVGVHZLP-HNNXBMFYSA-N 353.374 2.474 0 40 FEAB COCCCn1cnnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 6589512 GTMQLRCKFQZFDX-SNVBAGLBSA-N 355.851 2.482 0 40 FEAB COC(=O)c1cc(NC(=O)COc2ccc(F)cc2)cc(C(=O)OC)c1 5680435 CCLWRNNJTMNVFJ-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB Cc1ccccc1CCNC(=O)CCC(=O)Nc1sccc1C(N)=O 8724692 KESKTCWLGJKKLW-UHFFFAOYSA-N 359.451 2.233 0 40 FEAB COc1ccccc1-n1c(=O)c2c(c3c(N)ncnc31)CC(C)(C)OC2 8792550 DPJMZHJZFDENRF-UHFFFAOYSA-N 352.394 2.223 0 40 FEAB biogenic CCCNC(=O)CCn1ccn2nc(-c3ccc(OCC)cc3)cc2c1=O 67261161 BHXIQDLXUHBFBH-UHFFFAOYSA-N 368.437 2.478 0 40 FEAB CCCCN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335882 NAMASAXFRSWGTB-UHFFFAOYSA-N 373.482 2.348 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 67477126 VZUJBPDKFLZOHL-SFHVURJKSA-N 365.433 2.218 0 40 FEAB CN(C)S(=O)(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408722506 UWVBPFJHHHMZIO-KDOFPFPSSA-N 364.467 2.253 0 40 FEAB COc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842587 LRBMAONFWJXKBN-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC 7655256 TVKPEVWRLJJHCE-UHFFFAOYSA-N 371.372 2.444 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 8263537 QPVDJBPHHAXGSN-ZFWWWQNUSA-N 367.515 2.304 0 40 FEAB CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CC(=O)c1ccccc1 9305005 MUBTUFHYZPOLCU-UHFFFAOYSA-N 356.403 2.156 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1F 83854336 FTDWFNJEEHUPMQ-DLBZAZTESA-N 364.417 2.219 0 40 FEAB CCCn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c2ccccc21 89960706 DLEXOLJMMGUNRA-RBZFPXEDSA-N 368.437 2.159 0 40 FEAB COc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1OC 9639666 QKXLABFYRHAFCX-UHFFFAOYSA-N 370.434 2.489 0 40 FEAB CCOCCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 78725726 RUECZUYEIJLKSF-ZDUSSCGKSA-N 360.332 2.233 0 40 FEAB COC(=O)CC(C)(C)CC(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 95451467 RBDOIACJNQVZDR-UHFFFAOYSA-N 356.444 2.284 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(-n2ccnc2)c1 95410203 QGNHSWMPKZAAGX-OAHLLOKOSA-N 351.385 2.415 0 40 FEAB CC(=O)N(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1 95961856 MFNYVFJVFCHIFA-INIZCTEOSA-N 354.472 2.105 0 40 FEAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 32777457 HIECUIFSBVWUKB-VIFPVBQESA-N 365.436 2.277 0 40 FEAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408550459 CKKJVTCWYRXWNB-LLVKDONJSA-N 362.879 2.322 0 40 FEAB NC(=O)c1ccc(C(=O)N2CCN(c3ccnc4ccccc34)CC2)s1 556833005 PKAXPQCRUCEAEW-UHFFFAOYSA-N 366.446 2.358 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@H]1C2 306124907 CBYLNNKMCSGWQL-HZPDHXFCSA-N 374.448 2.230 0 40 FEAB CC(=O)N1CCCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 30995096 DXZXUGZVHPCMLX-UHFFFAOYSA-N 359.348 2.349 0 40 FEAB CCOC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 36662988 HLDZJDHBNJZUGU-NSHDSACASA-N 373.477 2.004 0 40 FEAB CC(C)(C)OC(=O)N1CCN(Cc2cnc(Cl)s2)[C@@H](C(=O)O)C1 72203758 IHUVORYVZKTCEN-SNVBAGLBSA-N 361.851 2.302 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 223271898 DFCWZCDZIIXOED-UHFFFAOYSA-N 362.407 2.257 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCC(Nc2ncccc2F)CC1 84486424 UOPCVZJSLVBNNG-QGZVFWFLSA-N 357.385 2.464 0 40 FEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 329103442 NPZVVTNBHANBIM-ZNMIVQPWSA-N 367.478 2.916 0 40 FEAB CN(C)c1ncc(NS(=O)(=O)c2cccc(Cl)c2)c(N(C)C)n1 224342345 WSFBWNUTGMDMBQ-UHFFFAOYSA-N 355.851 2.063 0 40 FEAB Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 44388462 IXANUFAIXNNQFD-MRXNPFEDSA-N 370.540 2.016 0 40 FEAB CCN(CC)Cc1nc(C2(O)CCN(C(=O)NC(C)C)CC2)cs1 225463710 VPTRUVKNNJKCND-UHFFFAOYSA-N 354.520 2.386 0 40 FEAB biogenic,in-vitro O=C(NCCc1cccs1)c1cn(C[C@@H](O)c2ccccc2F)nn1 225580972 QRCSVJMEBIEIBY-MRXNPFEDSA-N 360.414 2.185 0 40 FEAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 223683074 LOGAOTUAHVBLAW-IRXDYDNUSA-N 358.467 2.264 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21 96043366 ZYVYKPRPYYATSP-OWCLPIDISA-N 358.467 2.404 0 40 FEAB CC(C)NC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145367 BTIPHWADUKQJCC-IAGOWNOFSA-N 365.499 2.031 0 40 FEAB O=C(CC1CC1)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244239 BTBLUZNMWWYQAC-FQEVSTJZSA-N 368.437 2.482 0 40 FEAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]12 96083125 IODZMYQIKWHJLO-VDZJLULYSA-N 355.438 2.284 0 40 FEAB CC(C)n1nnnc1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 583621860 DWJGUZSIRVYQCQ-SNVBAGLBSA-N 359.356 2.469 0 40 FEAB O=C(c1ncccn1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257296539 RDGDLJXIMRRPAT-PXNSSMCTSA-N 353.422 2.457 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257318991 VQFXDSTZLSZCCS-HNNXBMFYSA-N 357.458 2.382 0 40 FEAB Cn1cc([C@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CCO2)cn1 267634986 GLLQFYMRTZAFMB-WOJBJXKFSA-N 368.481 2.375 0 40 FEAB COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cn2c(n1)C[C@H](C)CC2 631641350 KSKCYFDXXQSIRM-GFCCVEGCSA-N 356.426 2.428 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NCc2cccc(F)c2)c1 575420696 JFHCCIUVKZYCKW-KRWDZBQOSA-N 362.426 2.355 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)c1cccnc1 585112345 NQGZMCVZHMICAQ-INIZCTEOSA-N 351.410 2.248 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108831 QQSZUCUOFMLQBK-BQFCYCMXSA-N 357.385 2.205 0 40 FEAB Cc1nnc(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)s1 49365603 LHIBWQULFCZZRJ-UHFFFAOYSA-N 374.466 2.436 0 40 FEAB Cc1ccc(C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)cn1 78189571 WEMAEAAUBDSBKY-UHFFFAOYSA-N 359.451 2.233 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 69343151 TUNFZCXEHAKJDN-LSDHHAIUSA-N 355.456 2.083 0 40 FEAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)S1 12686069 ZJWRGPPCISSOHW-AWEZNQCLSA-N 365.455 2.372 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585808 GVPRLUGFBKCKIZ-CYBMUJFWSA-N 356.469 2.192 0 40 FEAB COc1cc(C[C@H]2CC(CNCC3CCOCC3)=NO2)cc2c1OCO2 15085782 MKSDHDCWWWKTFP-INIZCTEOSA-N 362.426 2.128 0 40 FEAB COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccc(OC)cc1 15676514 MZUNWHCJIJZQBN-INIZCTEOSA-N 357.410 2.213 0 40 FEAB biogenic,in-vitro O=c1nc(-c2ccc(F)c(F)c2)c(-c2nnnn2-c2ccccc2)c[nH]1 16523871 LDHCYRPXUQLIQF-UHFFFAOYSA-N 352.304 2.358 0 40 FEAB CC1(C)Cc2cc(CN3CCC[C@H](c4nnc5n4CCNC5)C3)ccc2O1 19711023 RQJMHFXZJGVRCI-INIZCTEOSA-N 367.497 2.474 0 40 FEAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(C)=O)s2)cc1OC 19974540 OIPAICUADJPGEG-UHFFFAOYSA-N 356.425 2.472 0 40 FEAB Cc1nnc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)s1 42380373 VRDBIWWVAKFRSK-GFCCVEGCSA-N 358.423 2.161 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 1888856806 PMPKNAVMEOGDKJ-UHFFFAOYSA-N 366.347 2.195 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888857232 NUGLMNUAKPUJGA-ZDUSSCGKSA-N 373.457 2.057 0 40 FEAB CC1(C)C[C@@H]1C(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863736 CNGVUOUKIQNYNM-TZMCWYRMSA-N 355.442 2.275 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)nc(O)c1F 1888904267 QHVSQZGEOWDNID-STQMWFEESA-N 368.416 2.089 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cc[nH]n3)CC2)CN1c1ccc(F)cc1 2037989103 VSJYCFFBPHCDAF-LJQANCHMSA-N 358.417 2.337 0 40 FEAB Cn1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1O 2037834904 GDLXLEQBPFRONN-CQSZACIVSA-N 357.382 2.320 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 4359984 XJECCDAXMZVMCG-OAHLLOKOSA-N 367.405 2.328 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c1 8895924 NOFUUEDVVJGZTO-CQSZACIVSA-N 370.496 2.347 0 40 FEAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccco1 11739198 TWPGFQHORVADNS-UHFFFAOYSA-N 358.379 2.323 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cccnc2OC)CC1 2055739300 QKENMDAUUNHIAA-UHFFFAOYSA-N 372.444 2.422 0 40 FEAB CN(C(=O)c1ccno1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974817 RLIYRUDXOVYFNG-UHFFFAOYSA-N 371.347 2.371 0 40 FEAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(F)c1 40030622 UMRITHOXODAAFI-KRWDZBQOSA-N 364.442 2.005 0 40 FEAB O=C(NCCCOCc1ccco1)[C@@H]1CCCN(C(=O)c2ccco2)C1 40042652 WUQXNZHWILKOFV-OAHLLOKOSA-N 360.410 2.448 0 40 FEAB COc1cccc2ccn(CCC(=O)N[C@@H](CCSC)C(=O)O)c12 40313160 CGMQPBMOKKBBSC-ZDUSSCGKSA-N 350.440 2.363 0 40 FEAB biogenic CC(=O)Nc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)s1 11107815 JKFPNHVQMMHQBK-UHFFFAOYSA-N 358.375 2.160 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681432 LPDVWJFXNIYTJX-UHFFFAOYSA-N 350.465 2.245 0 40 FEAB O=C(Cc1noc(C(=O)NCCc2ccccc2)n1)Nc1ccccc1 32096001 CPUYBWZBHLGFSI-UHFFFAOYSA-N 350.378 2.223 0 40 FEAB COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 10029812 ZETAZEFPJUQOOO-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C[C@@H](C)O1 21065135 WJLJEUKXKXQXCI-SJJOOFSGSA-N 350.503 2.386 0 40 FEAB O=C1CCc2cc(C(=O)Nc3nc(CN4CCOCC4)cs3)ccc2N1 21129390 XHRWYPKFWLZKBX-UHFFFAOYSA-N 372.450 2.112 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 36773695 WNUAFDROKPQUMB-CYBMUJFWSA-N 355.369 2.177 0 40 FEAB COc1ccccc1[C@@H]1NC(N)=Nc2nc3cc4c(cc3n21)OCCCO4 9835538 RAIMZAQKINERHN-QGZVFWFLSA-N 365.393 2.303 0 40 FEAB COc1cccc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 6810276 KRTSUZOCGXSVNB-OAHLLOKOSA-N 363.435 2.426 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(C)cs1 2639533 HVMHNZSOFDCOMD-AWEZNQCLSA-N 365.480 2.167 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7843601 WLVQEGAPRKWEQN-UHFFFAOYSA-N 365.484 2.203 0 40 FEAB CCCCn1c(SCC(=O)N2CCc3sccc3C2)n[nH]c1=O 22316209 QDTKIDMJXMMQIK-UHFFFAOYSA-N 352.485 2.110 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)o1 2647287 WVCYIBIQAFDULY-LJQANCHMSA-N 354.362 2.350 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c(Cl)c1 107579885 RIHALBLZORCZNF-UHFFFAOYSA-N 362.879 2.179 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccc(C)c2)N2NC(c3cccs3)=NC2=N1 940769 UIOYSPBXLLYKOK-HNNXBMFYSA-N 351.435 2.494 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(Cc2nccn2C)CC1 106164711 WAMSHXUYHAOKHE-OAHLLOKOSA-N 358.490 2.479 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)C1 35278932 NGMOXEWVPQEXKE-IAGOWNOFSA-N 358.486 2.341 0 40 FEAB O=C(CNC(=O)NCc1ccco1)NCc1cc(-c2ccccc2)no1 57380353 WKJGBMCIMNPYLB-UHFFFAOYSA-N 354.366 2.050 0 40 FEAB Cc1ccc(-n2cnnc2SCC(=O)NCCCC(=O)O)cc1Cl 12635887 BWQKEUWQTHSNKP-UHFFFAOYSA-N 368.846 2.302 0 40 FEAB CC[S@](=O)c1ccccc1C(=O)NCc1nnc(S)n1C(C)C 108898844 XUNQLXYEDXUDRR-HSZRJFAPSA-N 352.485 2.205 0 40 FEAB Cc1nnc2n(c1=O)N=C(c1ccc(NC(=O)CC(C)C)cc1)CS2 10031278 NTCCCQYJGPKCMN-UHFFFAOYSA-N 357.439 2.289 0 40 FEAB Cc1cc(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c(C)s1 3356213 QYZUHZPYPLEAPL-UHFFFAOYSA-N 358.467 2.467 0 40 FEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 44839839 FLQWMXIAORDIRP-OAHLLOKOSA-N 365.433 2.451 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2c(s1)CN(C)CC2 27988488 IAFPHYAGGSXRBM-UHFFFAOYSA-N 354.435 2.196 0 40 FEAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2ccccn2)CC1 67284454 GUAUAZASPRGMJJ-UHFFFAOYSA-N 367.388 2.045 0 40 FEAB O=C([C@H]1CCCN(Cn2ncc3ccccc3c2=S)C1)N1CCOCC1 12943053 NNWCCFXLMPDAKZ-INIZCTEOSA-N 372.494 2.294 0 40 FEAB COc1ccccc1CNC(=O)CNC(=O)c1ccc(Br)o1 8115848 HLJHIHNMSWGHCD-UHFFFAOYSA-N 367.199 2.097 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 5212612 PCZVNASTQHOMHY-UHFFFAOYSA-N 366.845 2.452 0 40 FEAB CC[C@H](C)NC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 5302040 BHCCTECSZQFTJY-ZDUSSCGKSA-N 356.426 2.214 0 40 FEAB COC(=O)c1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 6406068 OODJQQZWZGKBIN-GOSISDBHSA-N 355.390 2.169 0 40 FEAB Cc1ccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)c(C)s2)c(C)c1 14186874 DUYVKZGJGTYCNK-UHFFFAOYSA-N 356.451 2.382 0 40 FEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@H](C)CC)c(=O)[nH]c1=O 14250078 WQOKSWVROTZXIV-GFCCVEGCSA-N 362.430 2.091 0 40 FEAB COc1ccc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=S)N2C)c(OC)c1 4648693 KDKDUATVJYPCIV-BUYRESAOSA-N 362.451 2.283 0 40 FEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 5638247 DRVRPFJXZRHFSN-UHFFFAOYSA-N 372.874 2.490 0 40 FEAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2C)n1 6786289 FZFBUAGVNOIRMR-UHFFFAOYSA-N 356.459 2.489 0 40 FEAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)C(C)(C)C)cc1 17857576 AQSZQAOIIGZPNB-LUKYLMHMSA-N 365.433 2.324 0 40 FEAB Cc1ccsc1CN(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8780530 IULNIXADTUDQDA-UHFFFAOYSA-N 373.521 2.500 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(F)c3)nc2c1 71327522 KWJKHIWBTZKBQQ-UHFFFAOYSA-N 359.382 2.328 0 40 FEAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1cccc(C(C)=O)c1 9384747 XWBLRCATJLEXEE-IBGZPJMESA-N 367.401 2.395 0 40 FEAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-n2cncn2)cc1 9467308 AXNGSQHDEJEQOZ-GFCCVEGCSA-N 352.423 2.396 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)COc2ccccc21 9466374 GTSYZPFBRKWOJM-UHFFFAOYSA-N 354.362 2.146 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Cl)cn2C)c1C 9871461 SNCAQWNQSHNHPZ-UHFFFAOYSA-N 352.774 2.450 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)NCCn2ccc3ccc(F)cc32)cc1 72400452 UMGDANCBIBMXSL-UHFFFAOYSA-N 364.384 2.495 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(-c2ccccc2)cn1 84562675 LTWDWTZEMUBZPO-UHFFFAOYSA-N 357.373 2.492 0 40 FEAB C[C@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c1ccc2ccccc2c1 84600531 BDAWISKNZYJLQH-LSDHHAIUSA-N 360.479 2.470 0 40 FEAB C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)C[C@@H](C)O1 84706150 NXRKTRXVHNBHFY-FPAYPSAMSA-N 366.477 2.139 0 40 FEAB COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)cc1OC 35148013 XNIJZVNDDZTSNI-HNNXBMFYSA-N 373.413 2.321 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218410358 WFMPCWCTXNIOTK-MOPGFXCFSA-N 358.507 2.401 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218034979 MKBAIRRQJRJAHB-ZIFCJYIRSA-N 359.447 2.135 0 40 FEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CC 222978279 SYWPCSSJCROQFB-OAHLLOKOSA-N 350.459 2.365 0 40 FEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC2CCCC2)s1 223842984 YIARSOXHKHKFQL-UHFFFAOYSA-N 366.468 2.320 0 40 FEAB Cn1nccc1N1CCC[C@@H](NC(=O)C(C)(C)c2ccc3c(c2)OCO3)C1 580665491 MMLWXMOWAMYNDE-OAHLLOKOSA-N 370.453 2.212 0 40 FEAB CC(=O)c1cn(CCC(=O)/N=c2\[nH]nc([C@H]3CCCO3)[nH]2)c2ccccc12 95473988 IPRVKVGSNSIOGZ-MRXNPFEDSA-N 367.409 2.264 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CCN(C(=O)c1cccnc1)C2 96046576 WVCYAGHEECIZIU-UHFFFAOYSA-N 350.422 2.245 0 40 FEAB Cc1ccccc1NC(=O)N1Cc2cncn2C[C@@H](C(=O)NCC2CC2)C1 96260690 OAOZVAYBYMXBFL-INIZCTEOSA-N 367.453 2.382 0 40 FEAB CCOC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 252515218 HWYPYRVZECPIFU-MJBXVCDLSA-N 362.289 2.084 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 250669779 LFLCPOZBYHTADZ-WBVHZDCISA-N 358.438 2.210 0 40 FEAB COc1ccc(F)cc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257277327 NXMZMFUQPLSPEL-OAHLLOKOSA-N 359.401 2.285 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCOc4ccccc43)CCO2)cn1 267550132 CBDAJLWCTKFIGK-KDOFPFPSSA-N 356.426 2.069 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)C1 654354104 DCBYQQWDWLZTMI-IRXDYDNUSA-N 353.507 2.134 0 40 FEAB COc1cc2c(nn1)CCN(C(=O)c1cc(OC)nc3ccccc13)C2 612502841 PHFSDCKLEWHNNL-UHFFFAOYSA-N 350.378 2.241 0 40 FEAB COc1cccc([C@@H](C(=O)O)N2CCC(Oc3ncc(C)cn3)CC2)c1 634693183 RVPAKAGUQSSHGE-KRWDZBQOSA-N 357.410 2.463 0 40 FEAB CCCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575405525 TUEHZGFJVPGXGB-INIZCTEOSA-N 360.483 2.377 0 40 FEAB COc1cccc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)c1 585112431 PUHNZVZGQBOTBH-SFHVURJKSA-N 369.469 2.254 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2)CC1 585113202 CCLFQRGJNIIVAN-SFHVURJKSA-N 364.511 2.282 0 40 FEAB O=S(=O)(c1c[nH]c2cccc(F)c12)N1CCN(c2ccncc2)CC1 681201897 KHCOTVUBYRGEJY-UHFFFAOYSA-N 360.414 2.213 0 40 FEAB O=C(CCNc1ncccn1)N1CCCN(Cc2ccccc2F)CC1 58355894 KGSUCKMAMGXTTI-UHFFFAOYSA-N 357.433 2.152 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 100220931 JDDJRVAFESPPHC-RKGSWTEASA-N 364.445 2.076 0 40 FEAB Cn1cnc(CCNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 582471638 HHTVMKFKOGIVPJ-QRVBRYPASA-N 354.454 2.177 0 40 FEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 11176599 BZSGUILTDXXLAL-UHFFFAOYSA-N 362.363 2.017 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1OC 12825298 GFNQEWJCQSIJGB-UHFFFAOYSA-N 373.434 2.368 0 40 FEAB O=C(NCCCSc1ccc(F)cc1)c1cnc2n(c1=O)CCS2 15533502 LRJURMNTLYQLEE-UHFFFAOYSA-N 365.455 2.400 0 40 FEAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1 19289000 DIJBJZZVJNDCTL-QGZVFWFLSA-N 365.481 2.483 0 40 FEAB CCc1nc(CNC(=O)c2cn([C@@H](CC)c3ccc(F)cc3)nn2)no1 19523183 NGDHGMPEZYRNRT-AWEZNQCLSA-N 358.377 2.292 0 40 FEAB CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3)c3ncccc23)C1 19587914 SYHCQZJYNGOOHE-QGZVFWFLSA-N 363.465 2.209 0 40 FEAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)cn1 19719094 VRQJHPBATJNCRF-UHFFFAOYSA-N 363.439 2.338 0 40 FEAB O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(c2ccccc2)CC1 19937285 SEPGMPYZLHUSSC-UHFFFAOYSA-N 360.417 2.399 0 40 FEAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)c1OC 35313221 MSSMFPAZXQIIHR-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB CC(=O)Nc1ccccc1CC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 683452229 JJGCEFQADFVFHE-NRFANRHFSA-N 363.417 2.310 0 40 FEAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 5443791 YVIWHXGXJBCTKC-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCC1(N2CCSCC2)CCOCC1 1888846814 WGFCTZASKRNBQV-INIZCTEOSA-N 364.511 2.168 0 40 FEAB O=c1c2c3cccnc3sc2n(CC2CC2)c(=O)n1C[C@@H]1CCCO1 1889149412 SJCNTAGBNQYLDX-LBPRGKRZSA-N 357.435 2.362 0 40 FEAB Cc1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)[nH]c2c1C(=O)CCC2 31410430 SKEOBKHIFVCFTP-UHFFFAOYSA-N 361.348 2.489 0 40 FEAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(CCn2nccn2)C1 1776000865 NQGUZRWBJZUJQB-CYBMUJFWSA-N 355.364 2.483 0 40 FEAB Cc1cnc(C)c(OC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1 2087044505 IKLCORWRMPBKJR-UHFFFAOYSA-N 365.441 2.456 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O)c1ccccc1 2195229 BVTDQQYWQZZBOX-OAHLLOKOSA-N 367.283 2.224 0 40 FEAB COc1ccccc1CNC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193730 MJPXQESLHUTYNH-OAHLLOKOSA-N 357.385 2.439 0 40 FEAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NC[C@@H]1CCCO1 11737841 KZEYGORZUIUJKM-AWEZNQCLSA-N 372.450 2.116 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)cn1 2055718399 TTYXBOJPSFDTSZ-GVDBMIGSSA-N 359.451 2.211 0 40 FEAB O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1cnccn1 38669174 YCFQQGVLUBXVDA-UHFFFAOYSA-N 368.397 2.359 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(C[C@@H]2CCCOC2)CC1 585503662 VSOMAERDMJRCIJ-SFHVURJKSA-N 368.481 2.444 0 40 FEAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc(O)nc3ccccc23)n[nH]1 225556448 GKJUFFRPODOKCT-MRXNPFEDSA-N 365.393 2.130 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 40160397 WKSIAWBDIMTFSA-HXUWFJFHSA-N 370.497 2.390 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2Cl)n1 2809708 SRNHROZOPRNPHB-SDSIWUNFSA-N 357.797 2.252 0 40 FEAB O=C1CCCN2N=C(SCC(=O)N3CCc4ccccc43)SC2=N1 4088861 BZNVAOCLEDZSBS-UHFFFAOYSA-N 360.464 2.305 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 4895845 XCYWVLORRUNPAS-ZDUSSCGKSA-N 353.488 2.234 0 40 FEAB Cc1nnc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)s1 28965218 LYEOWGXWSZSGJR-UHFFFAOYSA-N 365.216 2.442 0 40 FEAB CC(C)CNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101634929 QCZRWLNRULVEFB-GASCZTMLSA-N 357.454 2.268 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1C 21525821 SHFDBIWDKDBERO-RYUDHWBXSA-N 365.474 2.036 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O 10541377 DLDOMKKNSMYNCI-GFCCVEGCSA-N 374.890 2.373 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)SCc2cc(=O)n3ccsc3n2)no1 32854088 KXSCGKUGSRUQRF-SECBINFHSA-N 350.425 2.313 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)c1cccc(OC[C@H]2CCCO2)c1 32903065 GRLIPUYWCBSBON-MRXNPFEDSA-N 365.389 2.338 0 40 FEAB O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc(C(F)(F)F)c[nH]c1=O 58421241 REFCCWHLKGLHOM-SNVBAGLBSA-N 351.284 2.458 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(-c2nnco2)c1 103032689 KHCIZIINFSCYJX-GASCZTMLSA-N 368.393 2.240 0 40 FEAB Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCOCC3)nc2)c1 22378711 BTOVAMXMORDTMV-UHFFFAOYSA-N 355.438 2.230 0 40 FEAB Cc1ccc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 22547059 WYBXOTONWKDFCG-UHFFFAOYSA-N 351.516 2.233 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccn(COc2ccccc2F)n1 2798439 RZDFGUOGKPADES-UHFFFAOYSA-N 354.341 2.410 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 23157122 QIOWAMYYTUXEAA-WFASDCNBSA-N 362.451 2.291 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 54224044 GBWJUBACLCACNA-HIFRSBDPSA-N 372.498 2.052 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 24098308 BNMCRUMCEQEQSV-INIZCTEOSA-N 374.437 2.226 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1-n1cccn1 47298748 BPKAEDCVFQHGCF-UHFFFAOYSA-N 363.421 2.034 0 40 FEAB Nc1nc(CN2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nc2ccccc12 25060288 DCMDXYDPIIXNMI-OAHLLOKOSA-N 351.454 2.213 0 40 FEAB Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 29666911 QYHVPZKPXVDIFQ-UHFFFAOYSA-N 352.390 2.322 0 40 FEAB Cc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)c(F)c1F 55615033 XAACLHPVXYNZTG-UHFFFAOYSA-N 362.304 2.451 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 25461730 WZFGLKLBGYNHGN-CQSZACIVSA-N 370.361 2.146 0 40 FEAB COc1cc(F)ccc1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC 57117344 QUHMMRRQLDQCHN-UHFFFAOYSA-N 369.370 2.271 0 40 FEAB COc1cc(OC)nc(NC(=O)CN(Cc2ccco2)Cc2ccco2)n1 57593890 OKUODSIWQLDUKG-UHFFFAOYSA-N 372.381 2.321 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 12569689 FHGNOGSUGISTRC-VFNWGFHPSA-N 369.465 2.419 0 40 FEAB COc1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 58192237 LHRWASGCFXXQSB-AWEZNQCLSA-N 368.499 2.257 0 40 FEAB CCOC(=O)c1cnc(SCc2cccc(C(=O)N(C)C)c2)nc1N 58168835 KDHRHLSXGWYZRU-UHFFFAOYSA-N 360.439 2.230 0 40 FEAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 58137693 HRCIUXSQKMWWLO-MRXNPFEDSA-N 371.456 2.401 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1NC(C)=O 113970169 SVPOTGHRRVZGIS-UHFFFAOYSA-N 352.387 2.271 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccccc1 3409771 HFOCLJWUMVMECO-UHFFFAOYSA-N 371.422 2.287 0 40 FEAB Cc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)cc1C 17057380 UCDNZHDQQCKXSP-GOSISDBHSA-N 363.417 2.083 0 40 FEAB Cc1nc(C)c(C(=O)N2CCN(c3ccc4[nH]ncc4c3)C(=O)C2)s1 82106406 CNLVVSSEMZYJQE-UHFFFAOYSA-N 355.423 2.125 0 40 FEAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)NCc1ccco1 39996915 GNIGDCOXMSJVTI-UHFFFAOYSA-N 372.812 2.473 0 40 FEAB COc1ccccc1N(CC(F)(F)F)C(=O)CSc1n[nH]c(N)n1 14093046 GFLYLONYXZKSRB-UHFFFAOYSA-N 361.349 2.083 0 40 FEAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Br)cc1 14129626 RCNUMXJGJSEYQC-QMMMGPOBSA-N 365.187 2.005 0 40 FEAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NC1CCCCC1 5797395 CUAVYTNCWAJYGB-UHFFFAOYSA-N 368.393 2.301 0 40 FEAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1 408595557 QSWAEOBIDRBKRM-UHFFFAOYSA-N 362.455 2.338 0 40 FEAB CCC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 69882209 BDKVWFNHAFLKMP-MOPGFXCFSA-N 373.497 2.431 0 40 FEAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccc2c(c1)OCO2 67260007 MURRTULKTAUSKZ-UHFFFAOYSA-N 364.336 2.474 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H](CO)Cc1ccccc1 67645355 LDAYPDHBKUGCLE-QGZVFWFLSA-N 368.412 2.414 0 40 FEAB CC1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1=O 7426407 SYQDFZDDFYYTAV-KRWDZBQOSA-N 365.433 2.417 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1ccccc1SCc1ccco1 9532699 DOURNDBRIGLXMR-UHFFFAOYSA-N 360.391 2.281 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9503946 NLPILLCAYRQRTC-CQSZACIVSA-N 352.431 2.015 0 40 FEAB CC(C)C[C@@H]1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC(=O)N1 95468861 NBPYFINBSKRCFL-JZXOWHBKSA-N 366.502 2.114 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[C@H]3O)cc2)CC1 77152551 HOENHQLJHFJTEU-AZUAARDMSA-N 359.514 2.498 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)c1 66871681 KHEVNPIMXIBBJQ-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB CC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 306130068 IVTBRCKLRZXBBQ-PMACEKPBSA-N 360.454 2.108 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218653510 LKTKXNZPVNDZGW-FGTMMUONSA-N 364.898 2.498 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccco1)c1cccs1 225589229 LMYOXWKKNICSNC-OAHLLOKOSA-N 368.436 2.160 0 40 FEAB Cc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)c2nn(C)c(C)c2n1 41070268 DGFVJWYUCZNEDD-UHFFFAOYSA-N 366.425 2.196 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2C)s1 223002042 IUPRZLCTSREFET-SNVBAGLBSA-N 354.457 2.235 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C(C)C)C(C)C)cc1 224720649 WKZOZMVJKHNVDK-UHFFFAOYSA-N 356.488 2.113 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2cccs2)n[nH]1 225776020 URIVBKKZGDPRPS-UHFFFAOYSA-N 371.447 2.340 0 40 FEAB O=C(c1ccccc1F)N1CCN(c2ccc(-n3cccc3)nn2)CC1 75172215 NPTYUSVCVMONPQ-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@]3(C[C@@H](Nc4ccccn4)CO3)C2)cn1 96222951 USKMZEFTNSHLLM-BEFAXECRSA-N 353.426 2.056 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(C2CC2)s1 95473835 XEYOXFCBKCJZDO-NSHDSACASA-N 357.395 2.144 0 40 FEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC)cc2F)o1 96115995 XCOPOKYWZXLBFD-ZDUSSCGKSA-N 366.341 2.335 0 40 FEAB biogenic Cc1ccc([C@H]2[C@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1 96181570 CKBHCDKLCKJEBP-VQTJNVASSA-N 352.434 2.252 0 40 FEAB NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515337 IVOJQXDNJLFQSY-XHSDSOJGSA-N 354.834 2.075 0 40 FEAB CCC1(N2CCOCC2)CCN(C(=O)Nc2cc(C)cc(C(N)=O)c2)CC1 626577601 DSJIRKDJHQJFIS-UHFFFAOYSA-N 374.485 2.203 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F 665763013 XEODLYHAEPELES-ZFWWWQNUSA-N 374.409 2.497 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)[C@H](C)C2 666782727 AYIJJXWZLICZEA-JJXUHFIVSA-N 373.497 2.243 0 40 FEAB CN(CCN1CCCCC1=O)c1nc(-c2ccccc2)nc2c1CCNC2 67434533 DIWJRJDDIIKVEG-UHFFFAOYSA-N 365.481 2.238 0 40 FEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCO[C@@H](c2cccc(O)c2)C1 675942557 GHZLUOSAIZAJCV-HXUWFJFHSA-N 368.433 2.443 0 40 FEAB Cc1cc(C(=O)NCc2ncc3c(n2)CCOC3)nn1-c1ccc(F)cc1 650362132 SJAWZVIAOBDKCG-UHFFFAOYSA-N 367.384 2.113 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)NC[C@H]2CCC3(CCCC3)O2)C1 654354103 DCBYQQWDWLZTMI-IAGOWNOFSA-N 353.507 2.134 0 40 FEAB COc1cccc([C@H](NC(=O)c2cnn(C3CCOCC3)c2C)C(=O)O)c1 659173115 BDBIKKOKCCQUPR-KRWDZBQOSA-N 373.409 2.107 0 40 FEAB O=C(CSCc1ccccc1)NCCn1ccnc1-c1ncccn1 96099068 LMMQQAJRCUYBRO-UHFFFAOYSA-N 353.451 2.390 0 40 FEAB COCCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@@H]2COC 585104116 WQDRAJPJUSSSBG-MRXNPFEDSA-N 366.527 2.472 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)CC1 585280492 JKUZFABXMVLMQJ-UXHICEINSA-N 358.482 2.005 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585273372 SZZMMVTXRLFRPJ-NRFANRHFSA-N 355.434 2.070 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCOCC2)C3)cc1 585104911 WXWFPISRUJRYLY-IBGZPJMESA-N 358.482 2.339 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2cc(C)n(C(C)C)c2C)C3)o1 685941448 ZGTBZAFGXFGKHK-KXBFYZLASA-N 358.442 2.417 0 40 FEAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 48260619 AHYMRPCMCBMUSY-UHFFFAOYSA-N 356.426 2.449 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(Cc2ccc(O)cc2)CC1 12121297 LVZHNSBYGZKQRT-UHFFFAOYSA-N 353.469 2.027 0 40 FEAB COc1ccccc1CN1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 12471314 BEHMYMYHXSXSHC-OAHLLOKOSA-N 365.441 2.051 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1 13692988 ICTGZRRHFOEWDR-UHFFFAOYSA-N 351.409 2.285 0 40 FEAB CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14685914 DALSKOBLRSANAJ-CYBMUJFWSA-N 356.463 2.387 0 40 FEAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 16642386 NQJMPLNDHGLKJE-LSDHHAIUSA-N 368.474 2.485 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)c1 16777804 ZDVLXYCKBDVBDH-UHFFFAOYSA-N 373.438 2.491 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344364 KFRYFRJGPRABKO-LLVKDONJSA-N 355.423 2.241 0 40 FEAB CC(C)n1cc(C(=O)N2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cn1 19454879 KMXFXCNULQTESM-FQEVSTJZSA-N 352.438 2.425 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1 19552068 AEPBIUCAEWXLDE-GUYCJALGSA-N 358.438 2.378 0 40 FEAB Cn1cc(CCNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(F)ccc21 19662178 JHBPLUZJHRNRAD-UHFFFAOYSA-N 364.384 2.266 0 40 FEAB CN(CC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)C(=O)c1ccnnc1 643586262 QNXDPIQSCFOMOZ-FSPWUOQZSA-N 359.401 2.296 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 13170927 YTWSGQOVMANINM-SECBINFHSA-N 360.179 2.290 0 40 FEAB O=C(COc1ccccc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888866971 KVIMJHABVXAIPZ-CALCHBBNSA-N 364.449 2.328 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4cc(F)ccc34)C[C@@H]2C(=O)N1c1ccccc1 1888930489 XIHZUEAEGPNFCC-IYBDPMFKSA-N 362.364 2.395 0 40 FEAB COc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1F 1889191912 MZUPPKXBDRXQNV-UHFFFAOYSA-N 368.416 2.132 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CCNC(=O)c1ccsc1)CC2 31209302 YVHNJKWJCCEDHV-UHFFFAOYSA-N 374.462 2.470 0 40 FEAB O=C(COc1ccccc1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840260 KUVZCWIZCBDOHS-NRFANRHFSA-N 366.417 2.100 0 40 FEAB CO[C@@H]1CCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)c2ccccc21 1614941153 POEJTJSICNQMRJ-QGZVFWFLSA-N 365.495 2.463 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)on1 1565544521 JJPIYLDUSWMQRN-UHFFFAOYSA-N 361.423 2.404 0 40 FEAB Cc1ccc(C)c(Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 8848982 VCOGIUMXVXEKOM-UHFFFAOYSA-N 366.396 2.361 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 19901547 YYURVCYQHWNCOP-IKGGRYGDSA-N 356.507 2.353 0 40 FEAB Cc1nnsc1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 207999927 SQAPZZKGHCTLGC-LBPRGKRZSA-N 357.395 2.135 0 40 FEAB O=C(CN1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1)NC1CC1 40105880 OMNZQSNGDBQCEX-UHFFFAOYSA-N 369.387 2.132 0 40 FEAB C[C@@H](Cn1ccnc1)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 40092405 VZKOILFQWUYVPT-KMYSJOAASA-N 358.486 2.111 0 40 FEAB COc1ccccc1CC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 40107012 GASSZCBHPGUEPE-ZDUSSCGKSA-N 362.451 2.487 0 40 FEAB COCCCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955097 VXUFHHLUUUQGDJ-UHFFFAOYSA-N 358.442 2.101 0 40 FEAB O[C@H]1CCCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)C1 1347376 YAOWEKREWGANJY-JTQLQIEISA-N 362.796 2.023 0 40 FEAB COc1cc(CNC(=O)COC(=O)c2cccs2)cc(OC)c1OC 8066625 APUQMYWSIBUMMY-UHFFFAOYSA-N 365.407 2.247 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(OC)c4)[C@@H]3C2=O)cc1 101277706 BALCFQTUNZJSSZ-HOTGVXAUSA-N 352.350 2.202 0 40 FEAB CCn1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 6094728 XIQBFZOGYFHBAL-UHFFFAOYSA-N 365.418 2.271 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 8093171 CHIOJYKHVNAVHY-UHFFFAOYSA-N 369.421 2.407 0 40 FEAB COc1ccc(CN2C(=O)[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2=O)cc1 101359104 VMSAHJGSAMXLGR-DOTOQJQBSA-N 354.337 2.122 0 40 FEAB COc1ccccc1NC(=O)c1nnn2c1[nH]c(=O)c1cc(Cl)ccc12 20746105 WXPCKELUKMHPEA-UHFFFAOYSA-N 369.768 2.485 0 40 FEAB CC(C)(C)n1nc(C(=O)OCC(=O)NC(=O)c2ccco2)cc1C1CC1 51700565 SQARCLUBLKJSSJ-UHFFFAOYSA-N 359.382 2.222 0 40 FEAB COC(=O)Cn1/c(=N\C(=O)c2ccnn2C)sc2cc(Cl)ccc21 101335330 KFYIUCNNTWLNIP-OBGWFSINSA-N 364.814 2.004 0 40 FEAB O=C(c1cccc(F)c1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108525122 OYMNFIGDCIHEHU-OALUTQOASA-N 355.413 2.336 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(O)CC2)cc1 8115019 RSUKVRUICXXOLC-UHFFFAOYSA-N 374.462 2.109 0 40 FEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCc2ccccn2)CC1=O 21773504 KZHRQMVLVLDZTJ-ZDUSSCGKSA-N 373.840 2.455 0 40 FEAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1 2631683 UVNKGGGHQLLTDY-ZDUSSCGKSA-N 361.423 2.197 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)CC1 100746283 QZTCWOCAWLBLFN-LESCRADOSA-N 358.486 2.381 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 26528026 VPRNDPOGXNCXRJ-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB CNC(=O)COc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1 55856555 FXKSKKGUWULZMA-UHFFFAOYSA-N 362.813 2.403 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1 56071940 JAYDZMDGSGGWDA-LBPRGKRZSA-N 364.471 2.073 0 40 FEAB O=C(CCc1cn[nH]c1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 12449441 UVTUHASCTXTQEN-FQEVSTJZSA-N 367.497 2.498 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 27476915 MGGCQPPPDAKQOD-UHFFFAOYSA-N 373.478 2.264 0 40 FEAB Cc1ccccc1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 58185962 PMJDIJDONNMINL-IBGZPJMESA-N 371.462 2.182 0 40 FEAB COC(=O)c1ccc(N2CCN(Cc3nc(C4CC4)no3)[C@H](C)C2)cc1 58192422 DCKFUEYVEAXPEB-CYBMUJFWSA-N 356.426 2.444 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)nn1)OCC 58264655 FKQJLOHMSMZICW-LLVKDONJSA-N 368.384 2.446 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCn2cnc3ccccc32)C1 58216939 KCSPAQPJVBNNCG-HNNXBMFYSA-N 356.470 2.437 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CN3C)N(C)C)cc1 58213183 AMXBXZAJFMWKJG-IBGZPJMESA-N 366.465 2.416 0 40 FEAB Cc1nc2ccccc2nc1OCC(=O)NCc1ccc2c(c1)OCO2 3378913 AJESJCLLVMBZFW-UHFFFAOYSA-N 351.362 2.362 0 40 FEAB O=C(COCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 306135747 OZQIZIMCPNPBEO-KRWDZBQOSA-N 358.442 2.062 0 40 FEAB CC[C@H](C)c1ccc(S(=O)(=O)NNc2cc(C)nc3ncnn23)cc1 14077094 SFAVPSCBJJRHJU-NSHDSACASA-N 360.443 2.252 0 40 FEAB O=C(COc1ccc(Oc2ccccc2)cc1)NCCN1CCOCC1 14266782 FZEDWQAQYRIQPW-UHFFFAOYSA-N 356.422 2.306 0 40 FEAB Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 8747429 ZTIBBKNTABJCHJ-UHFFFAOYSA-N 367.492 2.438 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)ccc21 5805058 IWCFWPKQFJYYCJ-UHFFFAOYSA-N 353.334 2.220 0 40 FEAB Cc1ccc(NC(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 5938017 QNTRPASJEXESSG-MRXNPFEDSA-N 354.362 2.267 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2ccc(C)cc2)cc1OC 7070181 HMWUPAZLDDGYRF-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3ccc(F)cc3s2)C1=O 8877245 FHRGBIPZPMSVJE-INIZCTEOSA-N 362.386 2.094 0 40 FEAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccccc1Br)C(=O)OC 7247118 XUPLZERMKLAFFQ-BXKDBHETSA-N 364.261 2.315 0 40 FEAB CCc1nc2cc(S(=O)(=O)NCc3ccnc(N(C)C)c3)ccc2o1 96007606 ABOLWIJQMLMZDZ-UHFFFAOYSA-N 360.439 2.330 0 40 FEAB CS(=O)(=O)NC1CCC(NC(=O)CCc2ccc(Cl)cc2)CC1 72295749 RDMZBIBMEJEXKS-UHFFFAOYSA-N 358.891 2.249 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O 72558179 PBWKJBXCBZIFMV-LJQANCHMSA-N 364.453 2.233 0 40 FEAB Cc1ccccc1C(C)(C)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 60354709 LUNKFCTTYUOOFR-UHFFFAOYSA-N 351.406 2.232 0 40 FEAB Cc1nsc(N2CCCN(CCOCCOc3ccccc3)CC2)n1 75967548 STRBGSGIVNFOCP-UHFFFAOYSA-N 362.499 2.454 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9989367 BIRWVIJINXYPLX-UHFFFAOYSA-N 353.422 2.341 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 79004516 XLXBVIHHIYNFBL-KRWDZBQOSA-N 359.401 2.059 0 40 FEAB O=C(c1cc([C@H]2CCCN(CCc3ccccc3)C2)n[nH]1)N1CCOCC1 72380534 QAALKGZGDIUKQO-SFHVURJKSA-N 368.481 2.304 0 40 FEAB Cn1cc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)cn1 306138074 ROLAFCQEWRKGBT-QZTJIDSGSA-N 367.478 2.365 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(Cl)c4Cl)C(=O)[C@@H]13)O2 4237640 RRDTTXDOBVEPKD-OVZMXSCWSA-N 354.189 2.360 0 40 FEAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)c1 306128534 HDBBZHAFYIAGAP-DLBZAZTESA-N 365.481 2.173 0 40 FEAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306124732 BXXVBVAGVVYDOH-UHFFFAOYSA-N 371.510 2.460 0 40 FEAB Cc1nc(C)n([C@H](C)CNC(=O)[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C)n1 36740687 GSZWQJQJKWQNNB-CZIZLABSSA-N 359.405 2.150 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CO)C(=O)O)cc1 218401127 DSHNHVNKAHUZPF-AOIWGVFYSA-N 360.431 2.306 0 40 FEAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@@H]1NCCc2[nH]cnc21 72423479 WOGIRUJXDPODMN-QGZVFWFLSA-N 359.380 2.023 0 40 FEAB Cc1ccc(C[C@H](C)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 557593502 WRBDIEIIKQSLCL-CGTJXYLNSA-N 366.527 2.398 0 40 FEAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CCCC2 49550886 HFDRXCXTYJRGNZ-GOSISDBHSA-N 372.465 2.044 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@@H](O)c1cccs1 77114189 XUHWDXVJAKBTOC-CQSZACIVSA-N 353.465 2.152 0 40 FEAB CC(C)NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 96296052 ONQRAODOWPZCMU-YTQUADARSA-N 351.491 2.110 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cnn2ncccc12)C(F)(F)F 578836724 OAEJIZHJCAQRDX-CYBMUJFWSA-N 352.320 2.113 0 40 FEAB Cn1cnc(S(=O)(=O)NCc2nn(C3CCCC3)c3c2CCCC3)c1 96099258 HKEGJXKBPGPPGF-UHFFFAOYSA-N 363.487 2.089 0 40 FEAB O=C(c1cccs1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247801443 GBZVVKPECKZHLF-ZDUSSCGKSA-N 354.439 2.119 0 40 FEAB O=C(NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccco1 247493876 NPZZUPTUUXAXOU-QGZVFWFLSA-N 372.469 2.155 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 247953910 NDWGAJHSHGEKTJ-WBYQLDIESA-N 356.422 2.229 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)Cc1cccs1 257264284 LTSDAWYZDRZXBE-MRXNPFEDSA-N 358.467 2.389 0 40 FEAB CNc1nccnc1[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 257274100 NJOLMPJFYNJAGD-INIZCTEOSA-N 350.426 2.482 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1OC 257221372 DOTLHDANYBBJNM-XLIONFOSSA-N 373.497 2.063 0 40 FEAB COCC[C@H](C)CCS(=O)(=O)NC1CCC(O)(c2cccnc2)CC1 585084734 CKQHZKGTNHVBPM-ZLPCBKJTSA-N 370.515 2.194 0 40 FEAB COC1(CS(=O)(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)CCC1 634793860 DQFADGJSSLGAHE-GFCCVEGCSA-N 352.456 2.467 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](N)CCO1 652384602 GOMOPULICNMTSF-ARFHVFGLSA-N 356.463 2.184 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CC(F)(F)C[C@@H]3C(=O)O)cccc2c1 585124123 HRUSZADANJXZOV-LLVKDONJSA-N 356.350 2.026 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585278760 VCVIVOYYKYQALX-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 585292535 ODJZWQZKKZFXLM-LQYUOIDQSA-N 362.393 2.980 0 40 FEAB O=C(Cc1ccccc1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585103025 OEGAZEPIDSEBFX-NQIIRXRSSA-N 356.466 2.107 0 40 FEAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@@]2(CCN(CC(C)C)C2=O)C1 585093177 HOUHKGWKXMQLJU-INIZCTEOSA-N 355.385 2.339 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(I)cc1 49452395 BZVLZHWVXDHQQT-UWVGGRQHSA-N 374.222 2.324 0 40 FEAB CC(C)N(C)S(=O)(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 58067034 NWLFLYVYPFZLAH-UHFFFAOYSA-N 368.499 2.444 0 40 FEAB O=c1[nH]c(CN2CCN(CCc3cccs3)CC2)nc2ccccc12 58179635 GBJAGXHLBOKSJR-UHFFFAOYSA-N 354.479 2.345 0 40 FEAB CCN(CC)[C@@H](C)CNC(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1 58191823 ZBKSNOLVTPUBTR-NSHDSACASA-N 364.515 2.381 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1 96374485 NFUUNSRANCWVFZ-UHFFFAOYSA-N 366.483 2.320 0 40 FEAB CNC(=O)[C@H]1CCCN(c2nc(Nc3ccccc3)c3nc[nH]c3n2)C1 663588618 LIDDAWHQVGDWKR-LBPRGKRZSA-N 351.414 2.059 0 40 FEAB COc1cc2sc(NC(=O)c3ccc(=O)n(C)n3)nc2cc1Cl 19288530 KQAJGKTZWUCHBU-UHFFFAOYSA-N 350.787 2.304 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)c2nccnc21 19404371 WMMNEQZUMOTMAT-INIZCTEOSA-N 370.501 2.461 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)OCc2cccnc2Cl)[C@H]1c1cnn(C)c1 78755962 LCYYABNQWRNXII-UKRRQHHQSA-N 362.817 2.121 0 40 FEAB COc1ccc(C)c2sc(N3CCO[C@@H](C(=O)N4CCCC4)C3)nc12 1889141280 KVDXBRHCTSAPLJ-CQSZACIVSA-N 361.467 2.441 0 40 FEAB COc1cc(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)cc(OC)c1OC 29259707 FVVNGEVZLLDWLM-UHFFFAOYSA-N 372.421 2.012 0 40 FEAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1C 262410305 LIUPDGNRWVPHOQ-UHFFFAOYSA-N 350.234 2.243 0 40 FEAB Cc1nn(C(=O)c2c(Br)cnn2C)c(C)c1Br 1437008 JXLNFJMBRLMGAC-UHFFFAOYSA-N 362.025 2.447 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)NCCc3ccccc3)CC2=O)c1 5189453 SFVLBDYJEWEODH-MRXNPFEDSA-N 353.422 2.342 0 40 FEAB O=c1c(NCc2ccc3c(c2)OCO3)nccn1-c1ccc2c(c1)OCO2 9320321 NXADWMPTQMHENS-UHFFFAOYSA-N 365.345 2.302 0 40 FEAB O=C([C@H]1CN(Cc2ccc(Cl)cc2Cl)CCO1)N1CCOCC1 1889133933 DHMOOTBTZTWUFJ-OAHLLOKOSA-N 359.253 2.053 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@H]2CCCC[C@H]2O)CC1 585503439 RJOCHHXBYCVTOD-VQTJNVASSA-N 368.481 2.321 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19333381 AKTZVIWKOMQXKI-HNNXBMFYSA-N 354.429 2.210 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 96025767 VOHPEKLHRZYNRB-KRWDZBQOSA-N 359.451 2.202 0 40 FEAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1CN1CCc2ccccc21 50033133 XSOPXKIRXLFLRH-KRWDZBQOSA-N 353.470 2.492 0 40 FEAB CN1CCN(C(=O)CNC(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 30030408 IEQMTSMLWNJYCF-LJQANCHMSA-N 366.465 2.001 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)NCCOc1ccc(F)cc1 40071863 DGTBOPYPADPYFV-UHFFFAOYSA-N 356.357 2.399 0 40 FEAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 6324784 KJMDJGCVWRDGDJ-LLVKDONJSA-N 362.879 2.419 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2)c1C 3365492 FEGXCFGGGURNRZ-UHFFFAOYSA-N 358.394 2.281 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)Sc2nc3ncccn3n2)cc1OC 10077750 MNZSJRGUNDVCBY-SNVBAGLBSA-N 359.411 2.261 0 40 FEAB Cc1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc1F 10054427 TUDMPRQIYOYOIX-UHFFFAOYSA-N 369.400 2.464 0 40 FEAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298499 NHSMDRBINKNYSU-DBVUQKKJSA-N 371.529 2.390 0 40 FEAB biogenic,in-vitro O=C(CCc1ccc(-c2ccccc2F)o1)N[C@H]1CCS(=O)(=O)C1 58263430 JRSYKMVWZMNWJC-LBPRGKRZSA-N 351.399 2.322 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 55526406 PBRZUXBXMLQNPI-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1)c1ccco1 9059164 WDQKCUQKTKBMQR-UHFFFAOYSA-N 367.383 2.496 0 40 FEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 9746105 RHOWLLNRROCHFF-UHFFFAOYSA-N 369.373 2.466 0 40 FEAB Cc1nn([C@@H](C)CCNS(=O)(=O)c2cnn(C)c2C)c(C)c1Cl 36614528 XLDYSYJSXAWRCL-VIFPVBQESA-N 359.883 2.125 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 100634893 JDRAQFXCNZIIPO-IEKXTCBJSA-N 357.406 2.101 0 40 FEAB COC(=O)c1cc(CNC(=O)[C@@H]2COc3ccccc3C2)ccc1OC 12790214 GHQULAJLNQJOKR-HNNXBMFYSA-N 355.390 2.349 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 55425470 MWFGCXDIGCNQGY-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 12455683 FJIFCJUDNGIWDC-UHFFFAOYSA-N 367.810 2.159 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015713 GPAXRTBXSSRFDR-UHFFFAOYSA-N 353.426 2.157 0 40 FEAB COCCn1cc(C(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1=O 48276110 KSIZWCRGEZQBBY-GFCCVEGCSA-N 350.365 2.134 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2C)cc1 12885291 JBKYIGUFFZSEOL-UHFFFAOYSA-N 362.451 2.149 0 40 FEAB Cc1ccsc1C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 12989684 VPQQWCWBODZVLL-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC 20024762 MWKXDXJXGWUTED-UHFFFAOYSA-N 374.340 2.273 0 40 FEAB Nc1cc(OC(=O)c2ccc(F)cc2)nn1S(=O)(=O)c1ccccc1 4251530 MOWJXMYIFFQPBU-UHFFFAOYSA-N 361.354 2.061 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(c2ccccc2F)CC1 9423629 VUTXZQDBCUGTAH-UHFFFAOYSA-N 369.444 2.181 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)c1 6552437 YVWZALFIIUFBHL-BQYQJAHWSA-N 374.462 2.443 0 40 FEAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3-c3ccccc3)nc12 7096463 IAZXQJITOBBFQF-UHFFFAOYSA-N 350.407 2.500 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409392226 QHYGXYVCFODDEV-UHFFFAOYSA-N 354.472 2.075 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)C1=O 15858377 RLBWGQSLWANUPF-SECBINFHSA-N 358.847 2.181 0 40 FEAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024599 IFSJXCYDBHORNJ-UJKGCTCZSA-N 373.428 2.001 0 40 FEAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCN(c3ccccn3)CC2)cc1 16483966 ATYMWSPNAMSDHA-HNNXBMFYSA-N 352.438 2.433 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O 8361848 OCLGPNDQLLUIIF-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB COc1cc(C(=O)OC/C=C/c2ccccc2)cc(OC)c1OCC(N)=O 8546857 QKOVJMRNCYLZLO-RMKNXTFCSA-N 371.389 2.438 0 40 FEAB CC(C)Cc1ccc([C@H](C)NC(=O)CN[C@H](CO)c2cnn(C)c2)cc1 95941434 YZKUQQNPDLRWPO-HNAYVOBHSA-N 358.486 2.119 0 40 FEAB COC(=O)CNC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9154653 BKPHSPPTQRHJSU-UHFFFAOYSA-N 372.859 2.316 0 40 FEAB Cc1c(C(=O)N(CCO)CCCO)cnn1-c1cccc(C(F)(F)F)c1 89544930 FGDKCABOVKEUNH-UHFFFAOYSA-N 371.359 2.016 0 40 FEAB CN1CCN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H]1Cc1ccccc1 552457905 KXLIGNXPJKOFEJ-GOSISDBHSA-N 363.465 2.414 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1C 408612881 ZJZCNXYUXQRSEJ-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB CCOc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCC 62715240 MEWCPXFVGNFIGD-AATRIKPKSA-N 358.232 2.368 0 40 FEAB O=C(NCCc1cccc(F)c1)c1ccc(=O)n(Cc2ccccc2)n1 24320175 CORHJMVVKDWTHU-UHFFFAOYSA-N 351.381 2.403 0 40 FEAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nn(-c3ccccc3)cc2C1=O 306124861 CAZFRXSDXKJMPU-UHFFFAOYSA-N 364.449 2.228 0 40 FEAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30872831 SZZVCOCRSZOKCN-QGZVFWFLSA-N 352.500 2.186 0 40 FEAB O=C(NN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Br)cc1 34553875 KJDNIXCMYMBSNO-TXEJJXNPSA-N 351.200 2.269 0 40 FEAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217510255 KWUPYFFGNVLWEH-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB CCc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 139004329 PMFPSXSMCWDEQG-UHFFFAOYSA-N 358.394 2.420 0 40 FEAB CCN(CC)CCNC(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O 199401475 UCIZSBIEJBYXOP-KNTRCKAVSA-N 369.465 2.313 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccccc2)s1 225380506 TVGXOENTQBIHKA-LLVKDONJSA-N 354.457 2.316 0 40 FEAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 40267342 UMDQKMSWEDOFHB-HYVNUMGLSA-N 355.438 2.493 0 40 FEAB CSc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)C(C)C 223604804 QGINHUSEEQFDQI-LBPRGKRZSA-N 372.512 2.460 0 40 FEAB C[C@H](CO)NC(=O)c1ccc(NCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 332160727 PYPVDKVIGKRXSZ-GPMSIDNRSA-N 373.497 2.390 0 40 FEAB O=C(NCCCc1nnc2ccccn12)c1ccc2c(c1)N=C(O)CO2 95478498 KTLLNDQINRRHKI-UHFFFAOYSA-N 351.366 2.072 0 40 FEAB CC(C)(C)c1nc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)no1 500413595 XJQWJWAONMIWJJ-PBHICJAKSA-N 355.442 2.356 0 40 FEAB CN1[C@H](COCC2CC2)CCC12CCN(C(=O)C1CCOCC1)CC2 96208740 CKDYIBNPCIJBRZ-SFHVURJKSA-N 350.503 2.295 0 40 FEAB CC(C)N(C)Cc1n[nH]c2c1CCN(S(=O)(=O)c1cccs1)C2 96084104 ZBQYUMYNOWGJFM-UHFFFAOYSA-N 354.501 2.058 0 40 FEAB Cc1occc1C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247991253 AWUAAJXVIGHTRO-HNNXBMFYSA-N 357.410 2.468 0 40 FEAB COC[C@H]1CN(Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 247866337 ITFGUXTUGAKHRV-GOSISDBHSA-N 357.498 2.487 0 40 FEAB CN(c1ccncn1)C1CC2(CCN(C(=O)CCc3cccnc3)C2)C1 257207734 BIZRYQRLEUHGTE-UHFFFAOYSA-N 351.454 2.322 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)n1 257333266 YAWWSNIRAALEKR-HNNXBMFYSA-N 354.414 2.002 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1 257301752 RZVABVPVBIRDAE-SFHVURJKSA-N 355.438 2.284 0 40 FEAB COc1cccc2c1OC1(CCN(C(=O)CCN)CC1)[C@H]1CCCO[C@H]21 257235637 GYSSKVVLLKOWBJ-MAUKXSAKSA-N 360.454 2.265 0 40 FEAB CN1C(=O)CCc2cc(C(=O)NC[C@H]3CCCN3CC(F)F)ccc21 628618807 WVSWEAVELMIPNO-CQSZACIVSA-N 351.397 2.055 0 40 FEAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC(c2nccs2)CC1 654638148 WBXIITKABXAFCK-GFCCVEGCSA-N 362.459 2.202 0 40 FEAB Cc1noc([C@@]23CCN(C)C[C@@H]2CN([C@@H](C)c2cnc(C)nc2C)C3)n1 1775960528 PZTXEZNLWTXHPC-URKNILKWSA-N 356.474 2.051 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@@H]1C)C2 585106579 BXFGOWLIBMCFLK-CKJXQJPGSA-N 366.465 2.422 0 40 FEAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NCc1cccc2c1OCCO2 685940542 CSTAWDDHXGQXNH-UKRRQHHQSA-N 358.442 2.183 0 40 FEAB COc1ccccc1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1 31663655 LSXZXTYDJVKSOU-KRWDZBQOSA-N 355.438 2.236 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 60239962 LHJMIXCPAMEMMP-CQSZACIVSA-N 374.416 2.183 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154591 FZFIOCAJKOJNHK-LJQANCHMSA-N 373.384 2.160 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267459 LXJRMQGILGSJSL-MRXNPFEDSA-N 367.449 2.106 0 40 FEAB CCCCNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585847 YANZMQARQMRWDX-UHFFFAOYSA-N 370.496 2.420 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2cnc3scc(C)n3c2=O)N(C)C)cc1 19136541 SBNHBTLIFSGWNT-INIZCTEOSA-N 370.478 2.406 0 40 FEAB O=C(CCn1ccc2ccncc21)N1CCC(C(=O)N2CCCC2)CC1 19404734 ICLFYHAMECIMHE-UHFFFAOYSA-N 354.454 2.287 0 40 FEAB O=C(CSc1ccncc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792039 UFMYXRJAMMVPKU-UHFFFAOYSA-N 369.494 2.191 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)nn1 1888856483 CGXDLBUCOJAZHS-GASCZTMLSA-N 351.454 2.378 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)n1 1848353921 YZEPXBHTXSDNJL-AWEZNQCLSA-N 356.357 2.325 0 40 FEAB O=C1COC[C@]2(CN(CCc3ccccc3)CCO2)CN1c1ccccc1 2037981047 RVZRRNGZXNHHIY-QFIPXVFZSA-N 366.461 2.364 0 40 FEAB O=C(c1ccnc(F)c1)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056224558 VHSJCRUZVIJWNI-HNNXBMFYSA-N 358.442 2.106 0 40 FEAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cccc(Cl)n1)CC2 1565553937 NDQFMMPLKNZIEQ-UHFFFAOYSA-N 364.858 2.134 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565545754 NVJKYZCYJIUTCS-INIZCTEOSA-N 355.442 2.302 0 40 FEAB CC1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)N2CCCCC2)C3)CC1 2055713863 SCPYVXMPLIPCHT-MRXNPFEDSA-N 358.486 2.330 0 40 FEAB Cc1ccc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)cc1 2055746245 FESHWLBCGCVQGN-UHFFFAOYSA-N 355.486 2.263 0 40 FEAB CCCCN1CC[C@]2(COCc3cnc(NCc4cncn4C)nc32)C1 503735365 WZUIZMFTKIKYIL-LJQANCHMSA-N 356.474 2.096 0 40 FEAB Cn1ccc2c(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298194797 NLTSDMGMQXDVGM-CYBMUJFWSA-N 363.412 2.442 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c2N)cc1 19558615 KWSUNDUQRMTWLV-AWEZNQCLSA-N 368.437 2.294 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)c1 40040370 GBIUJBOYIWGYDU-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB Nc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)cc1Cl 101337965 IXUDUEIGWLCXNX-JTQLQIEISA-N 362.282 2.210 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)s2)NC(=O)N[C@@H]1C 32679656 FIYVIKDRSICKDW-SECBINFHSA-N 357.863 2.352 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cccc(C)c1 41097414 PWRZKABZPGZKGO-GOSISDBHSA-N 368.433 2.015 0 40 FEAB COc1ccc(OC)c(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 53347395 SXRHSVOOBLFFQY-HNNXBMFYSA-N 372.421 2.004 0 40 FEAB COC(=O)c1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 23994665 YABJNRQEHHHVKM-LJQANCHMSA-N 368.433 2.277 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(=O)[nH]c2ccc(F)cc12 78032869 UIESSJPSTUILRQ-GFCCVEGCSA-N 354.337 2.237 0 40 FEAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1cccc(Br)c1 78461131 PWTVMGKVVHQTKJ-LBPRGKRZSA-N 357.273 2.408 0 40 FEAB CNC(=O)Cc1nc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)cs1 79024230 OOPRXONMNSEQLP-OAHLLOKOSA-N 364.492 2.424 0 40 FEAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc3ccccc3n2C)CC1 56098235 JWKMSNNVWQPGHQ-UHFFFAOYSA-N 370.497 2.195 0 40 FEAB O=C1N[C@@H](c2cccs2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269925 DHXMJAXEVDILKL-UHIISALHSA-N 371.340 2.247 0 40 FEAB CC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 25665219 FCSRIEYWAOJMGK-KRWDZBQOSA-N 366.373 2.260 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 12604269 ZYTCPGSVXKCMEY-MSOLQXFVSA-N 361.401 2.407 0 40 FEAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 6628029 DXJZLBLZMGYGOH-ZDUSSCGKSA-N 369.446 2.499 0 40 FEAB CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128428 GWMKYMGDJMMHTJ-MRXNPFEDSA-N 366.870 2.366 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1 58014342 ZOTRHWZVIXWDHM-STQMWFEESA-N 371.455 2.099 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1 72405522 HONFHMLGSNZZHR-UHFFFAOYSA-N 350.378 2.302 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 12616503 ZMOZJUGHXZSNLO-YWZLYKJASA-N 367.405 2.240 0 40 FEAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ncccn2)CC1 57413269 YJWLJMQYJNZSQA-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC2(CC1)OCCO2)CC3 2209162 KXNKNINNZCJHII-UHFFFAOYSA-N 369.465 2.200 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 10958632 IHESFTOFMFJOGV-CQSZACIVSA-N 363.439 2.331 0 40 FEAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCc3cccs3)ccc21 20214996 DGBYSIPPIFFKMI-UHFFFAOYSA-N 365.480 2.383 0 40 FEAB CCN(CC(=O)NCc1ccc(C)cc1)CC(=O)NCc1ccc(F)cc1 12763374 NUGCMLSEEWEZEC-UHFFFAOYSA-N 371.456 2.389 0 40 FEAB CS[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1N(C)C 95996477 YWGMZYKFXMOBOL-NKWVEPMBSA-N 355.411 2.066 0 40 FEAB O=C(CSc1nncn1-c1ccccc1)NCc1ccc2c(c1)OCO2 3453530 WZXKYIRWBNFUAY-UHFFFAOYSA-N 368.418 2.405 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 3463797 ZALHYLWGSRWMFS-OAQYLSRUSA-N 363.417 2.005 0 40 FEAB O=C(OCC(=O)N1CCCC1=O)c1c2c(nc3ccccc13)CCCC2 3510651 ZDDKLGMZOGPIJO-UHFFFAOYSA-N 352.390 2.419 0 40 FEAB COCCOc1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc1 48765204 ILSRSTYQCLUDLD-KRWDZBQOSA-N 370.405 2.290 0 40 FEAB NC(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 22240703 IXGPOJMFUUCAAG-UHFFFAOYSA-N 362.430 2.085 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCc4ccncc4)nn12)CCC3 13206933 HENIGLVVUUABCH-UHFFFAOYSA-N 364.434 2.461 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 4070118 JEGKWXNFOFBMMS-OAHLLOKOSA-N 364.398 2.246 0 40 FEAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9421715 MTXVXHJYFPKBCQ-YOEHRIQHSA-N 350.403 2.193 0 40 FEAB CCOC(=O)c1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 5216667 PSALNFQFMJZBGG-INIZCTEOSA-N 371.389 2.198 0 40 FEAB Cc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1C 14198093 IHSKXDKRARWANO-OAHLLOKOSA-N 373.453 2.236 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14171275 HYJDCSPUAGKBFA-CYBMUJFWSA-N 350.440 2.281 0 40 FEAB Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NCCCO)cc2oc1=O 6658910 FDRROBVEOCFJRE-NSHDSACASA-N 353.802 2.329 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)C1 4721857 JLCANQGLAATBTK-QZTJIDSGSA-N 372.513 2.405 0 40 FEAB CS(=O)(=O)Nc1ccc2c(c1)Cc1cc(NS(C)(=O)=O)ccc1-2 4783706 FZGLQESTMFSVOO-UHFFFAOYSA-N 352.437 2.001 0 40 FEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1cn2ccccc2n1 7138198 OATXAVFMEYIHMC-MRXNPFEDSA-N 356.451 2.467 0 40 FEAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)NCc1nnc2ccccn12 7241175 LQOFDNLOSJPRKX-MDZDMXLPSA-N 358.405 2.304 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 7230186 BGRBCMNKGNFUTF-UHFFFAOYSA-N 355.393 2.107 0 40 FEAB C[C@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 7801801 QPLROISVVUVYGD-AWEZNQCLSA-N 360.454 2.268 0 40 FEAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccco2)CC1 408626916 JJWDPFDOACCLAK-UHFFFAOYSA-N 372.450 2.075 0 40 FEAB COc1ccc2c(c1)N(C(=O)[C@H](C)n1nnc(-c3ccccc3)n1)CCO2 81279617 UKHOOQBRXJIKLJ-ZDUSSCGKSA-N 365.393 2.335 0 40 FEAB Cn1ccc(C(=O)N2CC[C@]3(Cc4ncc(-c5cccs5)n4C3)C2)n1 306144679 ZLYITQOHMAMXTD-SFHVURJKSA-N 353.451 2.434 0 40 FEAB O=c1c(F)cn(COCc2ccccc2)c(=O)n1COCc1ccccc1 22056876 XRGJHDWFSNOWRO-UHFFFAOYSA-N 370.380 2.498 0 40 FEAB in-vitro CN(Cc1ccccc1F)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 8502420 KMNKCQHDWRNYIV-FQEVSTJZSA-N 369.396 2.251 0 40 FEAB Cc1nnnn1-c1cc(NC(=O)NC[C@H](O)c2ccc(F)cc2)ccc1F 69717336 CWQUIKUEOALKOE-INIZCTEOSA-N 374.351 2.104 0 40 FEAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CC1 18006757 LMMKUHMQSOHSEB-YHFFBGSDSA-N 358.397 2.320 0 40 FEAB COc1cc(OC)c(OC)cc1/C=c1\sc2nc3ccccc3n2c1=O 9097164 GSGIBAYBCBPOGN-MFOYZWKCSA-N 368.414 2.483 0 40 FEAB CCOc1ccc(C[C@H](CNC(=O)c2c(C)noc2C)C(=O)OC)cc1 60100620 ZHBYFJVUJZYSIN-OAHLLOKOSA-N 360.410 2.452 0 40 FEAB O=C(c1ccc(-n2cccn2)nn1)N1CCN(c2cccc(Cl)c2)CC1 70641161 PFHKLCDUOVARSP-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)n[nH]c1C 79485419 NHGISEMRBQAYRW-LLVKDONJSA-N 350.371 2.145 0 40 FEAB O=C(CSC1CCCC1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170958 UVSPBGLUJNHECN-UHFFFAOYSA-N 372.494 2.295 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218427090 DKHUZSXPMRLOQT-IAGOWNOFSA-N 364.898 2.492 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCCN1CCOCC1 223169116 NYQSGGRTISJJTH-ZWKOTPCHSA-N 371.510 2.105 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 223279262 QDGHDBVSQJLEPV-UHFFFAOYSA-N 366.464 2.334 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccccc2O)CC1 194258586 YJDOTNUYZVEKOG-UHFFFAOYSA-N 350.418 2.479 0 40 FEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(C2OCCO2)CC1 69198876 JCZGQGORNNKTPE-UHFFFAOYSA-N 365.373 2.479 0 40 FEAB O=C(Cn1nnc2ccccc21)N[C@H](c1cccnc1)C1CCOCC1 225621779 JTCBBFOTTWXHFQ-IBGZPJMESA-N 351.410 2.110 0 40 FEAB O=C(/C=C/c1ccco1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036315 YYNUCJLLOFVPIN-BQYQJAHWSA-N 354.406 2.457 0 40 FEAB C[C@H]1CCS(=O)(=O)CCN1C(=O)NCc1cnccc1C(C)(C)C 332307825 IEMHTIJKFIPYHP-ZDUSSCGKSA-N 353.488 2.098 0 40 FEAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(F)cc1)C2 96086944 AJJRBBZQJUCDDZ-MRXNPFEDSA-N 361.465 2.115 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245284179 QIXLOBSYAGYSSQ-BFHYXJOUSA-N 370.405 2.060 0 40 FEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]21 257333731 YCVRGZPKUJDYFD-FGTMMUONSA-N 351.454 2.178 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1Cl 257204183 ATKWZNBVXWUEDI-PBHICJAKSA-N 350.846 2.498 0 40 FEAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccsc3)cn2)CC1 257241995 IAOMPJXYMVTCOW-UHFFFAOYSA-N 358.467 2.269 0 40 FEAB CCCn1ccnc1CN1CCC[C@H]1c1nc(C)ncc1CNC(C)=O 257255103 KGDHLYWJEOEDPL-KRWDZBQOSA-N 356.474 2.365 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cn2cccn2)c2ccccn2)CC1 257328183 XENFLZCJLHJRLK-MBOZVWFJSA-N 369.469 2.078 0 40 FEAB CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)c3cccnc3F)c2C1 1262832832 DNQUNGHQDHVEBD-UHFFFAOYSA-N 362.361 2.387 0 40 FEAB COc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 1615557127 FJDRLALDXXJBAC-CVEARBPZSA-N 358.467 2.307 0 40 FEAB CCN1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@]12CCOC2 1615589849 WFACSQMPOWCVAL-QGZVFWFLSA-N 352.818 2.006 0 40 FEAB CCn1cnnc1[C@H]1CN(C(=O)Cc2nsc3ccccc23)CCO1 643828145 UUNCGHSCNWKEBN-CQSZACIVSA-N 357.439 2.050 0 40 FEAB Cc1cc(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C2CC2)nn1C 1687962076 VQHBQZCYPSXNAJ-LISAXSMJSA-N 358.486 2.179 0 40 FEAB C[C@H]1[C@H](NC(=O)N(C)CC2=CCCOC2)CC(=O)N1Cc1ccccc1 661126510 PBFIKMQIZWEHCP-MAUKXSAKSA-N 357.454 2.164 0 40 FEAB COc1nc(CNC(=O)Nc2ccccc2C(F)(F)F)nc(OC)n1 575604187 UHECVFYZXYECBL-UHFFFAOYSA-N 357.292 2.229 0 40 FEAB Cc1cncc(C(=O)N2CC3(CC[C@H](CN4CCCCC4=O)CO3)C2)c1 575406203 VYJPDXFQZAKBMP-MRXNPFEDSA-N 357.454 2.024 0 40 FEAB CCc1cnc(OC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc1 1776008887 RDDRHHDPODICRM-UHFFFAOYSA-N 357.336 2.484 0 40 FEAB CO[C@@]1(COc2ccc(F)cc2)CCN(C2CCN(C(C)=O)CC2)C1 1615145744 WQQROUFIFDDFKO-IBGZPJMESA-N 350.434 2.306 0 40 FEAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCC(O)CC1 1772595517 CLCXKHHQLVMNEE-HBFSDRIKSA-N 356.466 2.061 0 40 FEAB Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)c3cnn4cccnc34)[C@@H]1CC2 12120813 IFBBEHNVRKINAE-OXQOHEQNSA-N 362.437 2.336 0 40 FEAB COc1ncc(C2(O)CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)n1 12186351 RQZCQKBFZOWFFD-UHFFFAOYSA-N 365.380 2.256 0 40 FEAB O=C(O)/C=c1\sc2n(c1=O)[C@H](c1ccccc1)c1cc(Cl)ccc1N=2 6475823 KKFKCNHJGXTYEG-IHWMJMDHSA-N 370.817 2.331 0 40 FEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)c(C)c1 35311418 BECIVDFLIJNEBB-UHFFFAOYSA-N 351.366 2.324 0 40 FEAB c1ccc(CCCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1 1889128427 ITDACBWNHMLECH-UHFFFAOYSA-N 367.497 2.068 0 40 FEAB O=C([C@H]1CN(c2nc3c(Cl)cccc3s2)CCO1)N1CCOCC1 1889139083 ZQFLDRUXKGQBPB-GFCCVEGCSA-N 367.858 2.014 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCC2)nc1 20374399 QLSPHAWWTPHJGW-UHFFFAOYSA-N 364.405 2.307 0 40 FEAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCOCC2)cc1 25685841 XQJIJHCQIGJXGP-UHFFFAOYSA-N 367.449 2.196 0 40 FEAB O=C(Cc1cccc2ccccc12)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100038683 DRWVSWJWKXPVCN-TWYNJABESA-N 372.424 2.467 0 40 FEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1OC 100049548 YTLUPIQXIOUUPD-USJZOSNVSA-N 353.418 2.444 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 1565548653 HETZCYAGZLHOIE-IYBDPMFKSA-N 357.404 2.493 0 40 FEAB CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 100173542 RFMPETSDZRKPCC-PFRQMTDMSA-N 365.470 2.317 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1cncc(-c2ccoc2)c1 575620809 QSKRJXLKFJBEFU-UHFFFAOYSA-N 361.357 2.254 0 40 FEAB COc1cccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc(F)cc3)n2)c1 36869854 LLIIUDQDRZOJJS-LBPRGKRZSA-N 355.373 2.365 0 40 FEAB Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1 40033553 BJXJPIDLCQHUQW-QGZVFWFLSA-N 353.422 2.434 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)c1 51356974 HAXOUUSLUNJBSR-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1cn2c(=O)c(S(=O)(=O)Nc3ccc(F)cc3)c(C)nc2s1 20921866 WQCKYZSRFUPAMZ-UHFFFAOYSA-N 353.400 2.313 0 40 FEAB Cc1nc(N2C[C@H](O)C[C@H]2C(N)=O)c2c(-c3ccccc3)csc2n1 102399193 NYJKEKBTKCIVBI-OCCSQVGLSA-N 354.435 2.092 0 40 FEAB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 102558326 DJLFQOGKQHIIKW-GDBMZVCRSA-N 370.748 2.361 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(c2ccccc2)=NO1 32922862 DFXANHNQGOZUAQ-KRWDZBQOSA-N 352.394 2.050 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 33163361 JIDWIIKDUGLODC-XJKSGUPXSA-N 352.438 2.462 0 40 FEAB O=C(c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 103108004 IWIXXVARLOJWRQ-MYEOSFSRSA-N 359.219 2.498 0 40 FEAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)nc1 22386968 MYXQZIYMNKTTPO-UHFFFAOYSA-N 366.421 2.297 0 40 FEAB Cc1ccc(OCc2nnc(SCC(N)=O)n2Cc2ccco2)cc1 780172 DYOQYVAWKMGTHV-UHFFFAOYSA-N 358.423 2.384 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cc2ccccc2[nH]1 104044285 BTWVAHSKKMOEOU-HOTGVXAUSA-N 353.422 2.349 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 54002806 VVAAVWAJJSHZIP-UKRRQHHQSA-N 372.494 2.298 0 40 FEAB CC(C)n1nccc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 23175670 GALPZJNFUNFHIO-UHFFFAOYSA-N 372.454 2.128 0 40 FEAB CCCOc1ccc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc1 104548505 PENSSWZGYDZRTH-LOEKEGPCSA-N 366.442 2.112 0 40 FEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 23718885 FTXYKNRFNAVXSO-YVEFUNNKSA-N 370.430 2.446 0 40 FEAB CCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC 28002629 VRGJEUKQTJRLKD-WBMJQRKESA-N 367.877 2.127 0 40 FEAB NC(=O)c1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1 67833247 MGTXOLNMZHWYFY-UHFFFAOYSA-N 351.450 2.428 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 10744330 SEOBMGNSINCPQS-QGZVFWFLSA-N 350.484 2.487 0 40 FEAB COc1cccc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)c1 783271 IZVRWLQCAHDGEG-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB Cc1nc(N[C@H](CC(N)=O)C(=O)O)c2cc(-c3ccccc3)sc2n1 20315042 LKHJTXLHPYVCJJ-GFCCVEGCSA-N 356.407 2.407 0 40 FEAB CN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc(F)cc2)nc1 31745055 FYSPZEZKJISFPM-UHFFFAOYSA-N 354.428 2.446 0 40 FEAB O=C(NCCc1nnc2n1CCC2)c1ccc(CN2CCCCC2)cc1 69391568 YGWCKENQMGKBNA-UHFFFAOYSA-N 353.470 2.183 0 40 FEAB Cc1ccc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 10131140 FAPKRWLJHOMSPJ-UHFFFAOYSA-N 360.479 2.242 0 40 FEAB Cc1cc(O)n2nc(C3CCN(C(=O)c4c(C)noc4C)CC3)cc2n1 100137449 ZLHWLAWFIGUPDP-UHFFFAOYSA-N 355.398 2.368 0 40 FEAB NC(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 2634522 IFARSHLNVNXURS-UHFFFAOYSA-N 353.407 2.097 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1 32913156 OKWPEOUMETXFHK-UHFFFAOYSA-N 357.391 2.460 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)C1 53390419 JKOPFWZFSQPVCP-KSSFIOAISA-N 364.511 2.414 0 40 FEAB CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59444139 SHTHTJZRDPHHLF-UHFFFAOYSA-N 360.479 2.365 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C1 102705177 YVPMPGVUUVTGBF-UTUOFQBUSA-N 361.467 2.382 0 40 FEAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]1CN(C)CCO1 105471379 ACSNFXCRNKCWDI-HNNXBMFYSA-N 350.413 2.188 0 40 FEAB COCCOc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1C 47593695 WHSNSKJDRJQVCA-UHFFFAOYSA-N 350.440 2.236 0 40 FEAB COCCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc21 24893579 DSHCWEDDIJGGTR-LLVKDONJSA-N 373.486 2.369 0 40 FEAB Cc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 57521322 CQOPNZKSRXBLOF-UHFFFAOYSA-N 356.451 2.287 0 40 FEAB O=C(Cn1cnnn1)Nc1ccc(Br)cc1C(F)(F)F 27977646 LUHYXRGKYMEDPH-UHFFFAOYSA-N 350.098 2.093 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21 10236633 RIORWNDOCNZAEQ-UHFFFAOYSA-N 355.394 2.479 0 40 FEAB CCN1CCN(CCCNC(=O)c2cc(C)nc3cc(F)ccc23)CC1 58225155 BXYJGTUXDAUQTL-UHFFFAOYSA-N 358.461 2.440 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1 12772875 XYOCYTBIHGSKTD-UHFFFAOYSA-N 356.513 2.470 0 40 FEAB Nc1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)ccc1Cl 3451308 MXTDHAYVOANSPQ-UHFFFAOYSA-N 361.785 2.105 0 40 FEAB Cc1cc(NC(=O)COC(=O)COc2ccc(Br)cc2)no1 3483986 DPXWTTKOHKICGO-UHFFFAOYSA-N 369.171 2.306 0 40 FEAB CC[C@H](Sc1nc(O)cc(O)n1)C(=O)Nc1nnc(C(C)C)s1 13566162 YISOYILZBKOMGP-ZETCQYMHSA-N 355.445 2.372 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)c(F)c1 5148743 YVCMIBOCHYIFPM-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cccc(OC)c3)C2=O)cc1 14084898 KVGSQTKHVGUMJH-HXUWFJFHSA-N 368.389 2.354 0 40 FEAB CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 5365570 LYSXNDNXDQIGLU-AWEZNQCLSA-N 373.453 2.262 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1F 20455163 QICJUYXJVLJERU-UHFFFAOYSA-N 354.378 2.047 0 40 FEAB NC(=O)c1cc(NC(=O)CSc2ccccc2Cl)cc(C(N)=O)c1 6640493 NQAXMWVAFDONKU-UHFFFAOYSA-N 363.826 2.269 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1 14621292 LTONDQPBGCDYHI-UHFFFAOYSA-N 359.407 2.170 0 40 FEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC1 8428972 IEEJRXDNBLGVDJ-UHFFFAOYSA-N 350.484 2.416 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1CCCn1c(=O)[nH]c2ccccc21 8718417 RFXDGHWWOXKJRG-UHFFFAOYSA-N 356.426 2.365 0 40 FEAB COc1ccc(N2C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)N=C2O)cc1 9052372 PIDPTIMUCIQFAH-OAHLLOKOSA-N 373.331 2.377 0 40 FEAB Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)CC2CCCCC2)cn1 89755158 IBRBWTYIIOJYFC-INIZCTEOSA-N 353.488 2.367 0 40 FEAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCO[C@H](c2ccccc2)C1 72404722 RIYVWGAPDDLNJS-IBGZPJMESA-N 363.417 2.456 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCCS(=O)(=O)C1 95461098 SJFHEPYSQCYJCX-GXTWGEPZSA-N 354.472 2.478 0 40 FEAB CC[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(OC)cc1 24595409 LLUZOILTDQDXLZ-OAHLLOKOSA-N 359.426 2.127 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)C(=O)O)cc1 218524050 HMHPTOJAENQHEU-AOIWGVFYSA-N 359.447 2.273 0 40 FEAB Cc1cccc(N2C(=O)CN(C3CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080491 MHHPHBUIOJQOIN-ZWKOTPCHSA-N 362.495 2.142 0 40 FEAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCN(C(N)=O)CC1 78503895 CMSBYYCNVCJTKT-JTQLQIEISA-N 360.241 2.374 0 40 FEAB COc1ccccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946199 XULLPWHTJTUXST-OAHLLOKOSA-N 366.414 2.453 0 40 FEAB COCc1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 223836479 XNWNAQJFKUOUFS-UHFFFAOYSA-N 366.414 2.377 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2cccnc2)C(=O)CO3)s1 96240154 RDLDFPZHYXTVSX-IBGZPJMESA-N 373.478 2.086 0 40 FEAB COc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N2CCCC2)cc1 96057959 CSKDWVJUKLDUQY-QKNQBKEWSA-N 374.481 2.066 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)N4CCCC4)C3)C2=O)n1 96048834 WVUDXNMTHNPEDV-FQEVSTJZSA-N 356.470 2.420 0 40 FEAB CN1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O 96263479 HYOUJBMUCVIUER-UHFFFAOYSA-N 350.484 2.192 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1 96259331 DYZDCMOGUBEPEV-UHFFFAOYSA-N 360.483 2.074 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107675 WPMRETWTOFRYEC-LIRRHRJNSA-N 355.394 2.400 0 40 FEAB N[C@@H](Cc1ccccc1)[C@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1 98092077 BBMPHERXUYPXDO-RBBKRZOGSA-N 362.477 2.355 0 40 FEAB CCn1cc(NC(=O)c2nnn(Cc3ccccc3Cl)c2OC)cn1 96183548 JZAPHAJNMIQMHQ-UHFFFAOYSA-N 360.805 2.457 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)c1 248011461 JCVKAJUWVIWVAI-INIZCTEOSA-N 351.468 2.344 0 40 FEAB Cc1ccc(CN2CC3(C[C@@H](CCOCC(=O)N(C)C)CCO3)C2)cc1 247991321 LMPGPDFPMIPPOZ-SFHVURJKSA-N 360.498 2.471 0 40 FEAB O=C(c1cccc(Cl)c1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247961765 XTIJIKMNNCCBGH-OAHLLOKOSA-N 364.873 2.293 0 40 FEAB CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 252587384 XUDVSBBARMDEJE-KNBMTAEXSA-N 373.453 2.188 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c(F)c1)c1ncon1 585082044 VLLAMIJEVPXYQS-INIZCTEOSA-N 361.421 2.088 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 674651881 PJTROPMKKPVRDC-LBPRGKRZSA-N 360.435 2.192 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 585111448 AVARNTDHYVRAEO-HNNXBMFYSA-N 360.487 2.010 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1 12144544 ODVJLWXAYFGZCI-UHFFFAOYSA-N 374.391 2.237 0 40 FEAB O=C(COc1ccc2nncn2n1)NC1(c2ccccc2F)CCCC1 12197927 WCZZUKGIODJGEE-UHFFFAOYSA-N 355.373 2.228 0 40 FEAB O=C(CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)NCC1CC1 12251578 UJJLKGQVHHJOIU-UHFFFAOYSA-N 370.430 2.231 0 40 FEAB COCCCNC(=O)CN[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 16695680 WOBPATDAKNZZTF-LJQANCHMSA-N 350.459 2.287 0 40 FEAB COc1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)c(OC)c1 16777916 DPLIYQDJWCNGOK-UHFFFAOYSA-N 359.411 2.183 0 40 FEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)C[C@H]2CCCO2)on1 19123435 IRLCNELIPJSPMK-CYBMUJFWSA-N 359.430 2.034 0 40 FEAB O=C(c1cnccn1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406693 FPFDGRYQKCQQBG-UHFFFAOYSA-N 367.434 2.308 0 40 FEAB COCCNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19593451 ZDKMFLRTTYWCKK-INIZCTEOSA-N 364.417 2.268 0 40 FEAB COCc1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)o1 19594500 RPJOKSGZAUJDRN-UHFFFAOYSA-N 366.421 2.172 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169684030 VSUQKKOSJVKIKA-JJXSEGSLSA-N 359.378 2.236 0 40 FEAB O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)c1cc[nH]c1)CC2 1565545218 BNRMKJAHGLGUSY-UHFFFAOYSA-N 362.433 2.445 0 40 FEAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 12200104 BHHSXSHWZDZKQJ-UHFFFAOYSA-N 372.402 2.343 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 2055795980 DFECKJONDLVSQU-SFHVURJKSA-N 351.450 2.470 0 40 FEAB Cn1cc(-c2cc(CNC(=O)c3ccc4nsnc4c3)ccn2)cn1 575619523 UXNMAMKQYQFULU-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cnc3ccccc3n2)c1 24866415 QUKASINACRCHOW-UHFFFAOYSA-N 371.418 2.237 0 40 FEAB O=C(NC(=O)c1ccccc1)NC1(C(Cl)(Cl)Cl)OCCO1 1470974 GUIVAQULGXHVFB-UHFFFAOYSA-N 353.589 2.197 0 40 FEAB Cc1c(NC(=O)CSc2ncccn2)c(=O)n(-c2ccccc2)n1C 3237457 UHNODAGSOMIHMD-UHFFFAOYSA-N 355.423 2.005 0 40 FEAB Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 25324724 JRAMCKXDPAVPSH-UHFFFAOYSA-N 371.509 2.228 0 40 FEAB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@@H]1N2C(=O)c1ccccc1 4530708 JGICJNXMOZOXPZ-FEXTZGFWSA-N 367.401 2.365 0 40 FEAB CCCOC(=O)c1ccc(OC[C@H](O)Cn2c[n+](C)c3ccccc32)cc1 4535235 OFSTYKHJXMYLRY-QGZVFWFLSA-N 369.441 2.473 0 40 FEAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)NC4CC4)CC3)coc2c1C 35392537 BVTFLRJQDBNIFF-UHFFFAOYSA-N 369.465 2.015 0 40 FEAB COC(=O)C1=NNC2(c3ccccc3Sc3ccccc32)[C@@H]1C(=O)OC 6384840 GHHOYJUHYLRLBX-HNNXBMFYSA-N 368.414 2.316 0 40 FEAB CCCCN(C)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428755 HHXCDZRBTULVRB-UHFFFAOYSA-N 371.462 2.472 0 40 FEAB O=C(c1ccncc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999065 VEIDOKDIZGWZLB-KRWDZBQOSA-N 371.462 2.079 0 40 FEAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 48182078 LWXPDIATKBHWSH-UHFFFAOYSA-N 362.430 2.097 0 40 FEAB CCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1=O 27018460 AEADHXNGORRDGY-LLVKDONJSA-N 356.382 2.015 0 40 FEAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2091770 NYJXDEFJAKVHJE-XHDPSFHLSA-N 361.394 2.492 0 40 FEAB biogenic Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC[C@H](C)c1ccccc1 58184900 XSIFZCBWQLBIJY-LBPRGKRZSA-N 352.442 2.176 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc(F)c(F)c1)CS2 3366880 PQGSSDAVBVQKGN-WBMJQRKESA-N 355.362 2.145 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCCc3ccccc32)cc1 45041549 NSGGZBYDCNRDSL-MRXNPFEDSA-N 373.478 2.253 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCc4ccccc4C3)N2)cc1 2239119 COLSTPIQCSHBLN-GOSISDBHSA-N 362.433 2.236 0 40 FEAB Cc1csc2nc(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cc(=O)n12 10537539 CQMFESWORNAURM-BTDLBPIBSA-N 360.439 2.065 0 40 FEAB CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Br)CC1 26511541 PMVCKHACNZQUGU-UHFFFAOYSA-N 363.259 2.137 0 40 FEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1ccc(N2CCOCC2)cc1 11240835 MNVIKOLKAJZQGA-UHFFFAOYSA-N 374.466 2.149 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)c1 45812168 TZKWNTWTVLTKIL-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1F 101458929 QPIDHXUXYDMZMB-BJDJZHNGSA-N 358.163 2.405 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 47173567 KNNZUGGKYHZQLB-UHFFFAOYSA-N 371.462 2.277 0 40 FEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 12592827 PYJPXLUCILXDMD-LBPRGKRZSA-N 351.424 2.491 0 40 FEAB Cc1ccc(C)c(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 12754760 UIMDEAGHKLFJHI-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)/N=c1\[nH]cn[nH]1 12974043 RPDMGNGGLIBNIA-GFCCVEGCSA-N 370.240 2.317 0 40 FEAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@@H]1CCCO1)n2C 13690556 BJKWOYJINBUEER-KRWDZBQOSA-N 372.469 2.396 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2[nH]nc3ccccc23)c(OC)c1 6370651 MVHKLMKVBGNBBZ-UHFFFAOYSA-N 355.350 2.376 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 14016142 FKUDXUJAKWOJFK-HXPMCKFVSA-N 371.368 2.091 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)c(F)c1F 6476947 YGTWQAUKPVSFSV-UHFFFAOYSA-N 350.344 2.260 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 6654539 JDQWPYOZACIYAN-FQEVSTJZSA-N 360.373 2.347 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 7323448 WSBQZLAVWTWVDV-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccco2)sc1C 91037930 NUVPSKOVIMUILX-AWEZNQCLSA-N 368.480 2.427 0 40 FEAB CCCNC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1 8022641 FLCWSYWKBKCKMD-CYBMUJFWSA-N 353.469 2.367 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccco1 16781048 IXAXCJZJNBPYRV-UHFFFAOYSA-N 352.394 2.244 0 40 FEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1(C(=O)O)CCCCC1 72277000 FEGZSSLCPCPEIB-KRWDZBQOSA-N 358.438 2.426 0 40 FEAB C[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 92314226 KQFUIFYQXOTFAC-ZOBUZTSGSA-N 370.453 2.367 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CC34CCOCC4)C2)nc1 72312759 BSZQGKGWTJGEPM-JKSUJKDBSA-N 357.454 2.384 0 40 FEAB CO[C@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)nc3ncnn3c2C)C1(C)C 75293385 ZWWUZGZXOBJSGJ-DNVCBOLYSA-N 359.474 2.336 0 40 FEAB COc1cccc(OCC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1 75379528 YHIVLHLZEOTSEG-UHFFFAOYSA-N 364.405 2.375 0 40 FEAB CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 502496638 TUSJDFVXDLXNCZ-HUUCEWRRSA-N 358.360 2.261 0 40 FEAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3nc(C)sc3c2)n[nH]1 520937382 IVJWSGYZOHCMHX-UHFFFAOYSA-N 366.424 2.305 0 40 FEAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 30944340 NSPJBTQZJSTGNM-QGZVFWFLSA-N 365.905 2.000 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@]1(C)Sc2ccccc2NC1=O 71195604 KNPAGMGCIWTWAE-KPZWWZAWSA-N 356.451 2.417 0 40 FEAB Cc1cc(CNc2nc(C(C)C)nc(N(C)C)n2)cc(N2CCCC2)n1 562238343 MOZYDZLBWNZCJI-UHFFFAOYSA-N 355.490 2.977 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C(F)(F)F)SCC(O)=N2 79477309 ARJHBRUAFIVUHP-XCBNKYQSSA-N 369.390 2.489 0 40 FEAB COc1ccc(Br)c(C(=O)NC[C@H](O)c2cccn2C)c1 75155089 WRSPIFJQBMKTTJ-AWEZNQCLSA-N 353.216 2.260 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 72345744 JUAQYBDURFJZRS-UHFFFAOYSA-N 371.372 2.447 0 40 FEAB NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 565596765 KWQIQVCWMQHPON-QGZVFWFLSA-N 367.405 2.087 0 40 FEAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 223850545 VSUXHESZXPQKJZ-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CCOCc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OC 224407611 BXTZBBVMQKAHOA-UHFFFAOYSA-N 350.415 2.146 0 40 FEAB CC(C)OCCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225375108 DZVUYSOOELQGDE-UHFFFAOYSA-N 359.517 2.184 0 40 FEAB COc1ccccc1CN(C)C(=O)c1ccccc1N(C)S(C)(=O)=O 44900411 NSADOWJZQOKGTR-UHFFFAOYSA-N 362.451 2.363 0 40 FEAB O=C(c1cc(O)nc2ccccc12)N1CCC[C@H](Oc2cnccn2)C1 225473458 AKCJZKKNRYLYGK-ZDUSSCGKSA-N 350.378 2.414 0 40 FEAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222985971 VWGLKFFSGGINRH-YJBOKZPZSA-N 362.470 2.364 0 40 FEAB Cc1ccoc1C(=O)N1C[C@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241017 DXSYSDNHABYETC-MRXNPFEDSA-N 369.421 2.491 0 40 FEAB CC(C)n1cnc2c1[C@H](C(=O)N1CCC(N(C)C)CC1)N(CC1CC1)CC2 96147236 VKWGGYVWDSRUJA-HXUWFJFHSA-N 373.545 2.326 0 40 FEAB COc1cccc([C@@H](C)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 96105484 AYMGIIOXVDLOSK-CYBMUJFWSA-N 359.426 2.127 0 40 FEAB CN(C)c1ncc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1C 331917231 SSZMCPSSJQQZQW-UHFFFAOYSA-N 362.522 2.082 0 40 FEAB COc1ccc2c(c1)CCN([C@@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 582736844 KFFRDCXANKPWNI-AWEZNQCLSA-N 368.433 2.456 0 40 FEAB O=C(NC[C@@H]1CCOC2(CCC2)C1)Nc1nnc(C2CCOCC2)s1 333667909 NFRJJDRMALPXTN-GFCCVEGCSA-N 366.487 2.903 0 40 FEAB COCCN1C(=O)C2(CCN(c3ncc(F)cn3)CC2)c2ccccc21 96161113 XCHBUTLMWIJMHW-UHFFFAOYSA-N 356.401 2.147 0 40 FEAB O=C(Cc1ccccn1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 247808592 CVWPOPWIZMTIIB-KRWDZBQOSA-N 366.396 2.450 0 40 FEAB C[C@@H]1[C@@H](N2CN=C(NS(=O)(=O)c3ccc(F)cc3)NC2)CCC[C@H]1C 248134194 CBRVECYDAHLVGN-WWGRRREGSA-N 368.478 2.105 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257234882 GVLRJWZOBOLRAG-LLVKDONJSA-N 353.831 2.404 0 40 FEAB O=C(c1occc1Br)N1CCC(n2ncc3c2CNC3)CC1 643843549 GVXGUYLOHFBXCV-UHFFFAOYSA-N 365.231 2.319 0 40 FEAB CC(C)(C)n1ncc2c(N)nc(N3CCC[C@@H]([C@H]4CCCNC4)C3)nc21 656607547 OSMMDHZJHXSYKN-UONOGXRCSA-N 357.506 2.380 0 40 FEAB OCC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 668550611 VGMUYEZJCMBECU-UHFFFAOYSA-N 364.449 2.254 0 40 FEAB O=C(O)[C@H]1CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CCO1 669503372 FEJHUCFDQAGRAP-CHWSQXEVSA-N 360.332 2.045 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cc(F)cc3c2OCOC3)C1 1775973767 NZHAMVNMNASBSB-KBPBESRZSA-N 356.397 2.473 0 40 FEAB CSCC(=O)N1C[C@@H]2OC[C@H](CCOCc3cccc(C)n3)[C@@H]2C1 575406914 XYXYOUYEZVSTGT-XIRDDKMYSA-N 350.484 2.133 0 40 FEAB O=C(Cc1ccccc1F)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 585261372 QGLGXOJARLUYCB-ROUUACIJSA-N 354.381 2.011 0 40 FEAB O=C(Nc1ccc2c(n1)OCCO2)[C@H]1CCCn2cc(C(F)(F)F)nc21 585123955 SPYNQBUCNCLXEH-VIFPVBQESA-N 368.315 2.584 0 40 FEAB CCOc1ccc(CNC(=O)C2CCN(c3cc(OC)ncn3)CC2)cc1 1775986035 QFNBRWXHIHQSFQ-UHFFFAOYSA-N 370.453 2.417 0 40 FEAB O=c1ccc(-c2ccccc2)nn1C1CCN(S(=O)(=O)C2CC2)CC1 1776001362 PFZHQQBWKUDMRP-UHFFFAOYSA-N 359.451 2.039 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H]1CO 39160151 WPPIPCNSRTXZPI-CABCVRRESA-N 350.415 2.283 0 40 FEAB in-vitro CCCS(=O)(=O)Cc1noc([C@@H](C)n2ccc(C(F)(F)F)n2)n1 632114272 DPRCFPFFCVFYFJ-MRVPVSSYSA-N 352.338 2.219 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)C3CCC3)CC1)CC(=O)N2CC1CC1 1772596620 ZNJOOEZMIFREGU-UHFFFAOYSA-N 356.470 2.456 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2ccccc2n1 5845915 XAXCBLWUNGMNKC-UHFFFAOYSA-N 355.375 2.191 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(O)(c2ccccc2F)CC1 12113140 NNSRAOYLZYTZQI-UHFFFAOYSA-N 360.433 2.098 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2nc(-c3ccc4cc[nH]c4c3)no2)n1 12407855 IFBJKBZFHMVARZ-UHFFFAOYSA-N 350.382 2.461 0 40 FEAB COc1ccc(OCCC(=O)OCc2nnnn2-c2ccccc2)cc1 17654158 FYQIELUQEHHHFR-UHFFFAOYSA-N 354.366 2.183 0 40 FEAB CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1 19452744 KQLWEKXAQMAVTM-CQSZACIVSA-N 371.441 2.060 0 40 FEAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)c(C)n1 19524661 OPSMSQOIWDQZLR-OAHLLOKOSA-N 351.476 2.251 0 40 FEAB CN1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 19588007 GDGZIJVETDVEPV-MRXNPFEDSA-N 365.481 2.160 0 40 FEAB Cc1nccn1CCC1CCN(C(=O)c2cnc3sccn3c2=O)CC1 19656420 ZYPFXPXQGNQKAI-UHFFFAOYSA-N 371.466 2.203 0 40 FEAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCC3)nc21 19697992 OBUMZERTPAJEFO-UHFFFAOYSA-N 374.485 2.249 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)n1 19715564 KCLSILUWRMHGCY-ZDUSSCGKSA-N 370.432 2.329 0 40 FEAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 6326296 KTJHYTBHFALFMW-QPEQYQDCSA-N 363.395 2.403 0 40 FEAB Cc1cc(OC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc(C)n1 390826901 RCLYCVPETNARGU-GOSISDBHSA-N 369.421 2.303 0 40 FEAB C[C@@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)OCCO2 6879959 QQBJIDNXTPTSKF-GFCCVEGCSA-N 370.434 2.470 0 40 FEAB COc1ccc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cn1 1888860514 QDEAGTAWNJPIIR-UHFFFAOYSA-N 352.316 2.123 0 40 FEAB Cc1cc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n2ncnc2n1 1888890394 LQQMMCWPXPCWEH-UHFFFAOYSA-N 370.436 2.023 0 40 FEAB CC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)C[C@H]1C(N)=O 1848353591 MNVLZMFFURBGSV-IBGZPJMESA-N 355.413 2.011 0 40 FEAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 238883124 PPJKBQLETGISAD-CYBMUJFWSA-N 362.377 2.300 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)C2CCC2)CC1 2055756547 VLUNXKSQOQNYEU-UHFFFAOYSA-N 359.470 2.022 0 40 FEAB O=C(/C=C/c1cccs1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772653 JUKKWHVDMQSISX-AATRIKPKSA-N 370.478 2.208 0 40 FEAB O=C(Nc1nc(C(=O)Nc2ccc3c(c2)OCO3)co1)c1ccncc1 211072563 MFQSBZXECJUGDY-UHFFFAOYSA-N 352.306 2.303 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 225658838 GPJRNBJBFXKIHO-HNNXBMFYSA-N 358.891 2.487 0 40 FEAB COc1ccc(/C=C/C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1OC 575615642 GQLBLEPRZGUYJV-JXTAAOLFSA-N 374.481 2.334 0 40 FEAB c1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(-n2cccn2)c1 2298063127 DJWXKYLVVAUZFB-UHFFFAOYSA-N 353.455 2.323 0 40 FEAB c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(-n2cccn2)c1 2298064230 DUOYWJWUHPLZFW-UHFFFAOYSA-N 361.453 2.263 0 40 FEAB O=C(NC1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCC1 377521419 ZWKPOWWHTISREA-UHFFFAOYSA-N 355.482 2.347 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 8856366 VDOKWIVLGJZAIF-QGZVFWFLSA-N 361.394 2.268 0 40 FEAB biogenic COc1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1Br 16226542 GQDBVKHRPXFPFP-XFFZJAGNSA-N 357.229 2.453 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)CCNC(=O)c3ccoc3)cn2)C[C@@H](C)O1 40142655 FWXGWKDKUAPGKU-OKILXGFUSA-N 372.425 2.047 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(Cc2ccco2)CC1 32824710 WNZIBKRHDIVEKK-UHFFFAOYSA-N 367.409 2.002 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C 32901322 YQDQPUSIHTVFEN-OLZOCXBDSA-N 369.446 2.091 0 40 FEAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NC[C@H]1CCCO1 22790209 YBJLWLKONFZHPP-HXUWFJFHSA-N 367.493 2.253 0 40 FEAB COc1ccc(Oc2cc(N[C@@H](C)C(=O)NC(N)=O)ccc2OC)cc1 23626858 YKYCJTGKNNFVQO-NSHDSACASA-N 359.382 2.491 0 40 FEAB CCn1c(CNC(=O)c2ccc3c(c2)OCC(=O)N3)nc2ccccc21 36398139 PJSWWTYXZQHWIF-UHFFFAOYSA-N 350.378 2.317 0 40 FEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 924221 VHLNLSNOZLIBRR-UHFFFAOYSA-N 357.757 2.361 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n2ccccc2n1 28724620 DSGXUCUPFRYRMJ-HNNXBMFYSA-N 360.421 2.468 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)c1 2626115 SJQIJEADTOWUFA-KRWDZBQOSA-N 360.410 2.368 0 40 FEAB C[C@H](c1ccccc1)N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 103346084 FCTNPQJIUDFVBM-BEFAXECRSA-N 351.450 2.118 0 40 FEAB O=C(CCn1cncn1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 24030234 DPTRJTBSRJXLBY-UHFFFAOYSA-N 368.466 2.322 0 40 FEAB CCN1CCC(n2nccc2NC(=O)C(=O)NCCC2=CCCCC2)CC1 89488035 DMFUCZCXALBGNY-UHFFFAOYSA-N 373.501 2.485 0 40 FEAB O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1cccs1 25826030 OMYZQBFFWBWVTD-UHFFFAOYSA-N 357.479 2.259 0 40 FEAB O=C(NC1CC1)[C@H](NCc1cccc(Cn2cncn2)c1)c1ccccc1 56178627 NPWKIWJGQCWDLH-HXUWFJFHSA-N 361.449 2.436 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCN(C(=O)C(C)C)CC3)n2)c(C)c1 57498302 VQHUTZCHMOKADH-UHFFFAOYSA-N 369.469 2.133 0 40 FEAB Cc1cc(=O)n(CC(=O)NC(C)(C)C)c(N2CCc3ccccc3C2)n1 57506623 MFUNRGAFNSDSQX-UHFFFAOYSA-N 354.454 2.029 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 12538924 VISNWTHWMPCRQU-GHMZBOCLSA-N 359.382 2.325 0 40 FEAB C[C@H](C(=O)NC1CC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 7607152 XGDOCZMHBSLXIW-SNVBAGLBSA-N 359.348 2.123 0 40 FEAB CN(C)c1nc(N)nc(CSCCC(=O)Nc2ccccc2Cl)n1 27188964 LYBRQUZGRPDMOO-UHFFFAOYSA-N 366.878 2.435 0 40 FEAB Cc1c(O)ccc2c(CC(=O)N[C@H](C(=O)O)c3ccccc3)cc(=O)oc12 2098976 NVUSCGNULWDBOO-SFHVURJKSA-N 367.357 2.292 0 40 FEAB biogenic CC1CCN([C@@H](C)CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 58197803 ZJQMRUPKUUFBLB-KRWDZBQOSA-N 368.481 2.147 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)CCC2 58123703 RUYLDHMUHDLIEX-UHFFFAOYSA-N 353.422 2.165 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccc(F)cc1 10297470 WUKXNEXFDYSZIC-AWEZNQCLSA-N 351.301 2.263 0 40 FEAB CCc1noc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)n1 58265142 AORYUUKGZQQETE-AWEZNQCLSA-N 356.426 2.260 0 40 FEAB O=C(Cc1cccc(F)c1)NCC(=O)Nc1nnc(-c2ccccn2)s1 58378285 YYTABJVKCFIGAA-UHFFFAOYSA-N 371.397 2.037 0 40 FEAB COCCNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 2249983 MDSSYFYKQZQDGD-UHFFFAOYSA-N 351.406 2.216 0 40 FEAB O=C1NCCCC[C@H]1Sc1nnc(S[C@@H]2CCCCNC2=O)s1 48279162 NZRRVIJBPYONJJ-NXEZZACHSA-N 372.541 2.060 0 40 FEAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCC2)c(=O)[nH]c1=O 7796339 WIMBWYAIZSITFQ-UHFFFAOYSA-N 370.453 2.252 0 40 FEAB COc1cc(CC(=O)NCc2ccc3c(c2)OCCO3)cc(OC)c1OC 12977340 DZXVXXOMKNKGHE-UHFFFAOYSA-N 373.405 2.343 0 40 FEAB O=C(NCc1nnc2ccccn12)c1nn(-c2ccccc2)c2c1CCC2 12921967 XWLBRCVNFVMUSC-UHFFFAOYSA-N 358.405 2.334 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 12942408 RMTQPHGFMRXGKS-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB COc1ccc(OCCOC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3549054 DONWMIQGSRKDQM-UHFFFAOYSA-N 354.362 2.178 0 40 FEAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 22540076 WVWKPNCIILOWKO-CVEARBPZSA-N 352.500 2.461 0 40 FEAB CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1 13957213 IMCJEQSEBJBOHA-UHFFFAOYSA-N 365.430 2.166 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 4476937 YBJUFWQQLJAPHA-UVFQYZLESA-N 357.454 2.457 0 40 FEAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 4505406 FCUCCEHZTPMQMI-HNNXBMFYSA-N 359.513 2.281 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 6649432 AQQJAPFFKAFMHM-UHFFFAOYSA-N 366.483 2.158 0 40 FEAB CCOc1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)cc1 4999909 WFMAZICFSUSINV-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB CN1C(=O)C[C@@H](NC(=O)CC2(O)CCCC2)[C@H]1c1ccc(Cl)cc1 91771440 IHZHQONSSDWWOF-RHSMWYFYSA-N 350.846 2.423 0 40 FEAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccccc1Br 8769855 IOWYVEKRWXVGAB-UHFFFAOYSA-N 369.240 2.373 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 8937575 FFRTZJJMRUYSFS-UHFFFAOYSA-N 354.454 2.348 0 40 FEAB CN1CCN2c3ccccc3C[C@@]3(C(=O)N(C(C)(C)C)C(=O)N=C3O)[C@H]2C1 9087313 NSWSAHFNABCYGA-FOIQADDNSA-N 370.453 2.067 0 40 FEAB CSc1nn(CCCN(C)C)c2nc3sc4c(c3c(=O)n12)CCC4 71281741 BTHQMECNTJDMFN-UHFFFAOYSA-N 363.512 2.268 0 40 FEAB Cc1cc(C)n(CCCNC(=O)c2cccc(CN3CCCC3=O)c2)n1 9496284 RUEDMMMDDUHWLZ-UHFFFAOYSA-N 354.454 2.442 0 40 FEAB Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N1CCNC(=O)C1 84090523 JJCSCOKEIVHPSZ-UHFFFAOYSA-N 369.446 2.043 0 40 FEAB C[C@@H](C(=O)NC[C@H]1CCCOC1)n1c(S)nnc1-c1cccs1 95393901 CQQSJDHNDQJKNT-WDEREUQCSA-N 352.485 2.399 0 40 FEAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 95465267 IKCNNFCESGIBMU-YGRLFVJLSA-N 373.858 2.380 0 40 FEAB Cc1cc(=O)c(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)cn1C 79501710 GBVSCCGDICDAIJ-UHFFFAOYSA-N 357.385 2.052 0 40 FEAB COc1ccc(OC)c([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 38541252 OQIIVSXXNYALGJ-XJKSGUPXSA-N 365.474 2.303 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)c1c(OC)cccc1OC 408563465 NBMTZXGAVLMEKQ-UHFFFAOYSA-N 358.394 2.332 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@H]1COc2ccccc2O1 79440290 MYVIGGGVAAROKN-XJKSGUPXSA-N 362.426 2.342 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(C=O)cc1 7091225 CHKXWVXALDZQHT-CYBMUJFWSA-N 366.373 2.420 0 40 FEAB CCCCC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980561 XRYCJXITFDYKGJ-QGZVFWFLSA-N 360.454 2.481 0 40 FEAB Cc1cc(-c2cc3nc4c(c(N5CCNC(=O)C5)n3n2)CCCC4)c(C)o1 72337452 UTRUWXDXLXVXIJ-UHFFFAOYSA-N 365.437 2.421 0 40 FEAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 223646431 YUSNVSNSNUQHNT-IAGOWNOFSA-N 358.467 2.264 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2c(F)cccc2Cl)n1 224177110 SPFJHBUDGALFRU-UHFFFAOYSA-N 364.808 2.344 0 40 FEAB COc1cccc([C@@H]2C[C@H]2NC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 572934419 BHMONBUHEJEUCH-ZWKOTPCHSA-N 357.454 2.205 0 40 FEAB C[C@@]12CCCC(CO)(CO)[C@H]1CC[C@H](CO)[C@H]2CCC1=CCOC1=O 85340887 ISJXTDPNEXILTC-VXNCWWDNSA-N 352.471 2.046 0 40 FEAB biogenic,in-vitro Cc1ccnc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)c1 96110940 HAXZGRYEYWPTIC-FUHWJXTLSA-N 357.479 2.425 0 40 FEAB O=S1(=O)CC[C@H](c2nn3c(-c4ccc(Cl)cc4)nnc3s2)C1 96231167 BWBAGYFSBJSBDB-VIFPVBQESA-N 354.844 2.408 0 40 FEAB Cc1cccc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)n1 96229252 YUCXBHRCWWGJIC-GOSISDBHSA-N 359.499 2.361 0 40 FEAB O=C1CCCN1CC[C@H]1CCOC12CN(Cc1ccc3c(c1)OCO3)C2 247849416 GBUUBSUBXHKNPX-INIZCTEOSA-N 358.438 2.019 0 40 FEAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccccc1C(F)(F)F 257271521 MYQRPRNMXBPVLU-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB Cc1ccsc1CN1Cc2cncn2[C@H](COCC(=O)N2CCCC2)C1 253599854 VKXPTPXJVYPAIS-KRWDZBQOSA-N 374.510 2.449 0 40 FEAB COc1cccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1F 618198866 JZLUPIQVTDKMKW-UGSOOPFHSA-N 357.385 2.179 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(=O)O)C1 659173511 NVIQUSWUWVAVLL-NJBDSQKTSA-N 373.327 2.327 0 40 FEAB CCc1ccccc1CC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1cncn1C 1775958982 TWIUZEFGQGHVFZ-OXQOHEQNSA-N 354.454 2.003 0 40 FEAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12)c1ccccc1 100354759 RDYMIHWYFYTXOE-BBRMVZONSA-N 354.749 2.467 0 40 FEAB biogenic CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccsc1 96097418 LPFMMTQQIXRQKQ-OAHLLOKOSA-N 368.480 2.116 0 40 FEAB CN(C)C(=O)COCC[C@H]1CN(Cc2ccncc2)Cc2cccn2C1 585095217 ILDVHGZNTDETOG-SFHVURJKSA-N 356.470 2.010 0 40 FEAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)CN(C)C(C)C)CC3)cc1 585110369 LFNGBCUVBQTGDS-UHFFFAOYSA-N 356.470 2.353 0 40 FEAB CCCn1ccnc1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O 585182024 FUPQGNBCMOVUBZ-CYBMUJFWSA-N 351.476 2.147 0 40 FEAB CC(C)Cc1noc(CCCNS(=O)(=O)N(C)C2CCCCC2)n1 48369017 XCWYNNZCBNHNTL-UHFFFAOYSA-N 358.508 2.300 0 40 FEAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)Nc2ccccn2)CC1 72341584 AJZQHOKZBSVPEE-UHFFFAOYSA-N 370.428 2.287 0 40 FEAB COCCn1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)n(C2CC2)c1=O 77150314 SDZDEWGOUZTLAF-INIZCTEOSA-N 370.453 2.046 0 40 FEAB COc1cc([C@@]2(O)c3cc4c(cc3CCN2C)OCO4)cc(OC)c1OC 5599939 RTTXTEBVRWYZRR-HXUWFJFHSA-N 373.405 2.122 0 40 FEAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 16032049 LCNHIWMMRQVBHU-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)Cc2noc3ccccc23)c1 18965589 UDITXRRMYACYPH-UHFFFAOYSA-N 374.418 2.364 0 40 FEAB COc1ccc(O[C@@H](C)CNC(=O)c2cc(C(C)C)n3ncnc3n2)cc1 19452617 VVEKWVIQDGDMIA-ZDUSSCGKSA-N 369.425 2.454 0 40 FEAB CCc1nc(C)cc(N2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)n1 19523161 IDNLMTPDLCKRDH-UHFFFAOYSA-N 374.510 2.308 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C)C1 19715923 PUEVNZQBXBHOBM-AWEZNQCLSA-N 373.482 2.482 0 40 FEAB CCc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 1247974 LGOZLFHOISXMTO-RVDMUPIBSA-N 360.435 2.144 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(Cc3csc(C)n3)CC2)n1 1889091481 VPQFAQDJAQETSG-UHFFFAOYSA-N 358.515 2.472 0 40 FEAB CCOc1ccccc1S(=O)(=O)N1CC(Cn2cc(Cl)cn2)C1 1848698244 FNRDWELFQBVNQC-UHFFFAOYSA-N 355.847 2.256 0 40 FEAB CCCC(CCC)C(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O 38486407 YWYLFZADJWXCNQ-UHFFFAOYSA-N 363.458 2.013 0 40 FEAB O=C(CCn1ncc(=O)c2ccccc21)NCCc1nc2ccccc2[nH]1 40012977 DMOXIOVPRXOKRI-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB O=C1CN(c2ccc(NC(=O)[C@H]3CCCc4ccccc43)cn2)CCN1 40089067 YFXSYJBMTWDNEM-KRWDZBQOSA-N 350.422 2.076 0 40 FEAB COCc1cccc(C(=O)NS(=O)(=O)N2CCCc3ccccc32)c1 105766861 RQSXMMYRZNEDIF-UHFFFAOYSA-N 360.435 2.260 0 40 FEAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2[nH]c1=O 96115923 OSNMVTXVATZPGH-LBPRGKRZSA-N 355.346 2.190 0 40 FEAB biogenic Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 24598128 CNANEDSFHLICFU-QGZVFWFLSA-N 366.417 2.482 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O 4514767 UHUWITGOOVXUPR-HWPZZCPQSA-N 350.806 2.174 0 40 FEAB COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@]2(OC)COC(=O)[C@H]12)OCO3 4571065 WRLLJZYUHKBCFJ-HBFSDRIKSA-N 370.357 2.464 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1C 4619704 AGIRRZZOODJSLQ-JFRXWTBNSA-N 354.450 2.475 0 40 FEAB COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc2c1OCO2 35324362 OGRKKMZWFITXAD-CYBMUJFWSA-N 364.361 2.479 0 40 FEAB O=C(O)CS[C@H](C(=O)N1CCOCC1)c1ccc(Br)cc1 6526855 WOWKFPIFLLLCBS-ZDUSSCGKSA-N 374.256 2.167 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(F)c1 6584635 OGHZWQCUNJKBKN-UHFFFAOYSA-N 350.415 2.269 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1OC 10008900 KEZAVHUYCSBGOD-UHFFFAOYSA-N 352.387 2.385 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2CCC[C@@H](C)C2)c1C 57863833 AXARUMCJNWCPRM-CYBMUJFWSA-N 367.515 2.224 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)C2=NO[C@@H](c3ccccc3)C2)n1 58282197 SKKOJUXZGBZFAA-MRXNPFEDSA-N 352.394 2.352 0 40 FEAB CC(C)CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 58281678 CXUKNKITEYLWRW-LBPRGKRZSA-N 362.517 2.066 0 40 FEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)N(C)C 10399861 AUGLYBRKXPMEQC-CYBMUJFWSA-N 371.528 2.215 0 40 FEAB C[C@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)NCc1ccco1 58313528 UTIMPXPKYDZDHY-LSDHHAIUSA-N 370.453 2.207 0 40 FEAB COC(=O)c1cccc(OS(=O)(=O)c2cc(OC)c(OC)cc2F)c1 27943680 MUBJCFUHLGUWOW-UHFFFAOYSA-N 370.354 2.397 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102084305 GFPJPVZTFFRJSX-QMWCDGKBSA-N 350.418 2.241 0 40 FEAB Cc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 104278632 ZUESLWDLCMWIST-HNNXBMFYSA-N 364.829 2.119 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3ccccc3C2)s1 28651781 IEDGBYACQKCFNJ-UHFFFAOYSA-N 364.492 2.038 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 100344134 RLZOQDXGOUUIHZ-BZUAXINKSA-N 350.484 2.374 0 40 FEAB C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1 46037287 QVDNFZTVDPAIEJ-XOKHGSTOSA-N 359.470 2.152 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1 55111893 CKVIWTUHDZGPLV-UHFFFAOYSA-N 358.394 2.089 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12767687 QXEODLRRROKMBZ-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc21 12561963 YHEZNXOPALCISN-GFCCVEGCSA-N 366.421 2.134 0 40 FEAB CCN1C[C@H](CN(C)c2cncc(-n3cccn3)n2)Oc2ccccc21 48308536 FYQSKHRWZFYIAF-HNNXBMFYSA-N 350.426 2.386 0 40 FEAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 12854644 VBTJXPQXLQDVTO-UHFFFAOYSA-N 356.378 2.225 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1C 3456011 IKEDQTOIKUFZAD-UHFFFAOYSA-N 363.439 2.337 0 40 FEAB CC(C)c1ccc(OCCNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 48496695 QIKBLNAZAXLCHZ-INIZCTEOSA-N 371.524 2.225 0 40 FEAB NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 5016987 BWRXIZVVJWDPRY-LBPRGKRZSA-N 352.847 2.355 0 40 FEAB COc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 4555271 RHEDVHBVGVHZLP-OAHLLOKOSA-N 353.374 2.474 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C)CC2)nc1 6581631 RWAQIAXDQPQIJW-UHFFFAOYSA-N 360.483 2.049 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC[C@@H](C)C2)C1=O 5797809 RGIPEQUGHAEXDM-VLIAUNLRSA-N 373.453 2.111 0 40 FEAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6848694 GBMDFMYYJIKNCG-MHWRWJLKSA-N 374.462 2.357 0 40 FEAB NC(=O)COc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1 9691607 DJOBPFGODWESQQ-UHFFFAOYSA-N 364.348 2.125 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nc(O)c2ccccc2n1 6909565 ZSLPDQIUTTUTDY-UHFFFAOYSA-N 360.420 2.227 0 40 FEAB O=C(Nc1nnc(S)s1)c1cc2c(=O)n3ccccc3nc2s1 15441471 MNUVEMRPFGPLDT-UHFFFAOYSA-N 361.433 2.302 0 40 FEAB CC(=O)N1CCN(Cc2nc(N)c3c4c(sc3n2)CCCCC4)CC1 15554300 DJMJKZCYXWSGFJ-UHFFFAOYSA-N 359.499 2.207 0 40 FEAB Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1C 7598890 JOSWZWWETOGJQJ-UHFFFAOYSA-N 371.418 2.485 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1 7564303 CZQWJPJNVOOPIW-UHFFFAOYSA-N 374.368 2.136 0 40 FEAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccccc1 16041893 CBVABNCXHHQEEV-RQXXJAGISA-N 373.412 2.118 0 40 FEAB biogenic Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 16153564 PQFDDZDSJPPFQE-UHFFFAOYSA-N 374.422 2.350 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC(=O)Nc2ccccc21 7990539 GHQRZHAUDSWNEU-LLVKDONJSA-N 357.797 2.444 0 40 FEAB CN1CCN2c3ccccc3C[C@]3(C(=O)N(C(C)(C)C)C(=O)N=C3O)[C@@H]2C1 16993884 NSWSAHFNABCYGA-YWZLYKJASA-N 370.453 2.067 0 40 FEAB COC(=O)c1sccc1NC(=O)Cn1cnc2c(C)cccc2c1=O 8326152 BZQLMXYFBNRABS-UHFFFAOYSA-N 357.391 2.192 0 40 FEAB Cc1nnc(SCc2cc(=O)c3c(=O)n(-c4ccccc4)[nH]c3[nH]2)s1 18222208 LWXNKZIESBLZQS-UHFFFAOYSA-N 371.447 2.459 0 40 FEAB COc1ccc([C@@H](CNC(=O)Cn2c(=O)oc3ccccc32)N(C)C)cc1 9166021 MQWLYQJRTCZFAA-QGZVFWFLSA-N 369.421 2.022 0 40 FEAB Cc1ccccc1C1(O)CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 72303044 GOIBIHKUZWEEOW-UHFFFAOYSA-N 352.434 2.296 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1N1CCCC1=O 113950229 GORHNYQTQWDZIW-NFAWXSAZSA-N 364.467 2.289 0 40 FEAB COCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 409132711 QYHDFMMZKWQUKT-FMIVXFBMSA-N 353.396 2.395 0 40 FEAB COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c(Cl)c1Cl 530142662 IORLVSPWBQZQAH-OCAPTIKFSA-N 368.238 2.486 0 40 FEAB Cc1ccc(Nc2cc(N[C@H]3CCCC[C@H]3N)nnc2C(N)=O)nc1C 217036432 XJZVCDVZCRLIKN-OLZOCXBDSA-N 355.446 2.013 0 40 FEAB Cn1nc(C2CCN(C(=O)c3ccco3)CC2)n(-c2ccccc2)c1=O 77146488 NYKCGQOXKIEZCM-UHFFFAOYSA-N 352.394 2.184 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccccc2)CC1 44973408 GWZHXOWCYSEOJG-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)c(Cl)cc21 223361004 ILGZGLZQOXLJGG-UHFFFAOYSA-N 367.814 2.141 0 40 FEAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H]1O 514288665 KAEGQKKSMKRFEO-HRCADAONSA-N 355.866 2.322 0 40 FEAB biogenic,in-vitro CC(C)(C)N1C[C@@H](C(=O)Nc2nc(Cc3ccc(F)cc3)n[nH]2)CC1=O 95472264 HEADITJFWMRHGV-LBPRGKRZSA-N 359.405 2.120 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(=O)O)s1 583758104 UBSIESQAKOYKNF-JTQLQIEISA-N 354.453 2.287 0 40 FEAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncnc1C1CC1 579085220 FLEJCJJQBMUQEZ-QGZVFWFLSA-N 364.449 2.318 0 40 FEAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1Cc1ccoc1 96109813 CMENEZAGRSRSCR-HNNXBMFYSA-N 358.442 2.192 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 97653876 HQXULSKHEAPNSO-OQLLNIDSSA-N 373.796 2.394 0 40 FEAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(CC(C)C)C3=O)[C@H]2C1 96261557 COWQSJNAFJPBCG-SOLBZPMBSA-N 369.531 2.114 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc12 96242056 YPNAHLHFYRZUGD-OAHLLOKOSA-N 364.511 2.336 0 40 FEAB Cn1ccnc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 248139963 PVVUJLUASIFFGY-UHFFFAOYSA-N 370.428 2.214 0 40 FEAB Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)cs1 257216511 CUUUOKXLBMMHOP-AWEZNQCLSA-N 357.439 2.496 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2cccnc2)C1 70037461 GILIYRGIWXEMCL-MSOLQXFVSA-N 367.449 2.250 0 40 FEAB CCn1nc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cc1C 257205020 AXHLIRPVSITUDJ-GOSISDBHSA-N 355.442 2.220 0 40 FEAB CCc1nc(CN2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)no1 270600574 WFHKEKZDDSKANQ-KRWDZBQOSA-N 370.453 2.094 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)cc1 1629316027 UTHYJBFWGNIHAF-JLTOFOAXSA-N 355.438 2.315 0 40 FEAB CCOc1cncc(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 621728505 RFQXOTSMVYRJBY-SJORKVTESA-N 367.449 2.489 0 40 FEAB CC[C@H](NC(=O)c1snnc1C1CC1)C(=O)NCc1cccs1 648559132 HSJTUEVYQAIONI-NSHDSACASA-N 350.469 2.302 0 40 FEAB C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1cnn(C)n1 606442834 QCIPWEWEABBEQA-CYBMUJFWSA-N 351.410 2.289 0 40 FEAB NC(=O)C[C@@H]1COCCN1C(=O)CCn1c2ccccc2c2ccccc21 654519612 IENOFJRGZTYNKZ-OAHLLOKOSA-N 365.433 2.287 0 40 FEAB Cc1c(C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)nc(O)c2ccccc12 655123441 SHICTRRXRYINMR-CKEIUWERSA-N 356.422 2.251 0 40 FEAB O=C(N[C@H](Cc1ccncc1)C(=O)O)c1ccc(N2CCCCCC2)nc1 655601863 TYOYUXVIWWSTDA-QGZVFWFLSA-N 368.437 2.283 0 40 FEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 665648496 XZDFBGOJYKZSHR-WMLDXEAASA-N 353.426 2.421 0 40 FEAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 585105495 XZIRVKSTDGMSKD-INIZCTEOSA-N 368.499 2.461 0 40 FEAB COC1(CS(=O)(=O)N2CC3(CCC3)[C@H]2c2cccnc2)CCOCC1 1562012032 CMPMLUOWCOXEGL-MRXNPFEDSA-N 366.483 2.134 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCOc1cccc2c1OC(C)(C)C2 52642848 OZCLSSUEOZWKNB-CYBMUJFWSA-N 372.421 2.307 0 40 FEAB Cc1cc(C(=O)NCC(=O)NCCOc2cccc(Cl)c2)c(C)o1 56749161 QWWZSUMINNDDGV-UHFFFAOYSA-N 350.802 2.475 0 40 FEAB Cc1occc1C(=O)NCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 57265355 DIKXCUOVIJWUEE-LJQANCHMSA-N 370.405 2.357 0 40 FEAB C[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)n1ccc(C(F)(F)F)n1 632079550 VQYHPVKJBYLUBV-RYUDHWBXSA-N 353.348 2.253 0 40 FEAB CC(C)NC(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12184733 KYKRKWSWEJOAKX-UHFFFAOYSA-N 351.834 2.409 0 40 FEAB Cn1nccc1C(=O)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 12444242 LZWCWKCAHBIBRW-UHFFFAOYSA-N 363.393 2.270 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccccc1)N(C)C 12784141 SICXXMXWVQNCGY-GOSISDBHSA-N 369.465 2.234 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1 19554067 LSAZNSSKOCHWEE-OAHLLOKOSA-N 363.417 2.490 0 40 FEAB CN1CCc2nc([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)ncc2C1 19590620 GGJZUASEYNNQFM-OAHLLOKOSA-N 354.429 2.162 0 40 FEAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3OC)C2)no1 19593554 IZIMZZOHQCZWLJ-HNNXBMFYSA-N 373.453 2.439 0 40 FEAB CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@H]2CCCN2)n1 19759819 VRGYEMDGPOGKLM-QGZVFWFLSA-N 353.470 2.452 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169616572 JPUFBYQNQKVOGO-ASHKBJFXSA-N 373.714 2.164 0 40 FEAB O=C1N[C@@]2(CCc3ccccc31)CCN(S(=O)(=O)c1ccc(F)cc1)C2 19375282 DSPQBBPSHNKJMJ-IBGZPJMESA-N 374.437 2.335 0 40 FEAB Cc1ccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2N)cc1 6622088 RXCOVAZXQVTTAP-UHFFFAOYSA-N 364.434 2.496 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)C1CC1 1889104398 NIEBMSKQWZFSOL-MRVPVSSYSA-N 355.407 2.213 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 23135135 MKPMJSZXEGDZHU-UHFFFAOYSA-N 365.480 2.365 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N(C)C 11899024 NNCKPAYMNDOMEG-MRXNPFEDSA-N 362.861 2.345 0 40 FEAB O=C(CCc1ccccc1F)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750847 DVFROGNIXAMQSP-UXHICEINSA-N 369.440 2.265 0 40 FEAB Cc1cc(N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)ncn1 585415110 CEMUHSUOGOEUOB-TXEJJXNPSA-N 350.348 2.166 0 40 FEAB CCCn1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O 20757887 LASZFLTWLZDASN-KRWDZBQOSA-N 368.437 2.101 0 40 FEAB biogenic C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(N)=O)n2Cc2ccco2)C1 103419383 OCYNWQCHWXHPCY-FRRDWIJNSA-N 363.487 2.368 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1OC 782990 URYZBROSEVXQIV-UHFFFAOYSA-N 372.396 2.441 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 23822744 SEAUASYEMJYODK-MRXNPFEDSA-N 369.469 2.249 0 40 FEAB CCN(Cn1nc(-c2ccc(C)cc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 24177831 FFNQCPJYMXKIOV-CQSZACIVSA-N 366.512 2.383 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)OCc1ccccc1 10766680 NMCWQRQRXIQDJH-UHFFFAOYSA-N 362.403 2.365 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c(=O)[nH]1 7118540 BXIMYUMBDTXPJJ-HNNXBMFYSA-N 361.467 2.124 0 40 FEAB O=c1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)oc2ccccc12 1857683 FSBZDDLUXFKIGG-UHFFFAOYSA-N 374.400 2.128 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078959 XUIWVCFZTBMYSG-OXTHUFEASA-N 369.465 2.161 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(O[C@@H](C)CC)cc1 6462625 RSFDBTJJIAKORA-NSHDSACASA-N 362.459 2.387 0 40 FEAB COc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C 2404926 IUFXRMMUMAITTR-UHFFFAOYSA-N 354.410 2.473 0 40 FEAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2c(C)noc2C)c(C)c1 7305748 MUMTUHDJIALSOJ-UHFFFAOYSA-N 351.428 2.134 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)/N=c1/sccn1C 103038700 ZEEXCYHDLKULCS-MMOSJZJFSA-N 353.394 2.247 0 40 FEAB Cn1nc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 21528338 OQKGRJLVRWYJCS-UHFFFAOYSA-N 361.405 2.172 0 40 FEAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(NC(C)=O)c1 32833832 HMUQHBNMJAITBT-UHFFFAOYSA-N 366.395 2.442 0 40 FEAB CC[C@@H](OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1 11352785 MQUWMNCXTOXYAU-SMDDNHRTSA-N 362.357 2.498 0 40 FEAB CN1C(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2C1=O 102836978 OENAGPBUEGLCFG-VHEBQXMUSA-N 351.387 2.207 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 41815168 NDFLJAAUPZGKJJ-GFCCVEGCSA-N 361.423 2.160 0 40 FEAB COc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OC 730186 WLWLKSFAKDQRAT-NTEUORMPSA-N 371.443 2.444 0 40 FEAB COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)c1 22730353 QZTSCSVSUHJRCC-STQMWFEESA-N 351.447 2.225 0 40 FEAB CCOc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1OCC 53850283 IGCVOXRPMNWBKI-UHFFFAOYSA-N 370.452 2.445 0 40 FEAB c1ccc([C@H](CN2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 23845531 KMMKCXPGHXBSSS-SFHVURJKSA-N 350.426 2.148 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@@H]3CCCO3)cc2)CC1 24502908 MYEVHKUNIQGPSU-INIZCTEOSA-N 367.467 2.443 0 40 FEAB COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)ccc1OCC(N)=O 24993265 VEBIJYKMOGRZER-INIZCTEOSA-N 373.453 2.079 0 40 FEAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1-n1cnnn1 44246203 HNSBNFDEQWVXEP-INIZCTEOSA-N 374.351 2.104 0 40 FEAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35414294 QXWOBPBOTGKPFQ-KRWDZBQOSA-N 351.450 2.496 0 40 FEAB COc1ccc(CCNC(=N)NCC(=O)N(C)Cc2ccccc2)cc1 58111952 DYAMKKAJFRYCHS-UHFFFAOYSA-N 354.454 2.010 0 40 FEAB CCC[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc(C)on1 10214041 QCFPMFZKZWFFOH-ZDUSSCGKSA-N 370.365 2.184 0 40 FEAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1ccc(C(F)(F)F)cc1 10275019 LXDFVVALPJZQMC-UHFFFAOYSA-N 358.345 2.095 0 40 FEAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccn(CC(N)=O)n1 58224722 HXLBNCXMXUQZNQ-MRVPVSSYSA-N 357.197 2.081 0 40 FEAB O=C([C@H]1CCOC1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 58357726 CJJXICAXBPAAPW-AWEZNQCLSA-N 358.360 2.266 0 40 FEAB CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1 15911742 ZEVCIYOFTPDXFC-UHFFFAOYSA-N 372.406 2.079 0 40 FEAB Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1N 2254971 AVUGZJDSTLLMKP-UHFFFAOYSA-N 366.812 2.464 0 40 FEAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 3397660 ULFDWNPYCTWAFG-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16015905 PVGBXASYUKTFDJ-KRWDZBQOSA-N 365.433 2.076 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12889047 AUVZMQOPUIVCFP-BBWFWOEESA-N 361.486 2.198 0 40 FEAB C[C@@H](OCC1CC1)C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 68351806 VSMBVKAUGMREGL-MRXNPFEDSA-N 358.482 2.450 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594785 ANNGDLCQMKRJDE-OAQYLSRUSA-N 363.417 2.039 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3517566 DHAIPOMEYDHKKM-DHZHZOJOSA-N 374.437 2.372 0 40 FEAB CCOc1ncccc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 13010392 NLZOTKCDRXQYQC-UHFFFAOYSA-N 357.395 2.283 0 40 FEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cccnc1N1CCCC1 16289792 LNJXTONWLCHJLR-UHFFFAOYSA-N 365.433 2.424 0 40 FEAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 64033345 ADMNMSGFIBHPRG-GOSISDBHSA-N 362.376 2.265 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccccc1F 8134844 WZVPJSXQKRBRAJ-UHFFFAOYSA-N 354.385 2.030 0 40 FEAB COCCn1c(S[C@@H](C)C(=O)N2CCCC2)nc2ccccc2c1=O 5015916 SVYMJYPDXIPPKT-ZDUSSCGKSA-N 361.467 2.146 0 40 FEAB COc1ccc(CNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1OC 4354700 KFOCXWVREHCPLD-UHFFFAOYSA-N 368.389 2.191 0 40 FEAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)c(C)c1 14135999 OMHFFUMXHGHOCM-UHFFFAOYSA-N 357.443 2.052 0 40 FEAB CCc1nnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1 14182187 YLCKWFFXGYGLSA-UHFFFAOYSA-N 359.386 2.346 0 40 FEAB Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc1 4562832 NOTHGLAEHFXYTP-UHFFFAOYSA-N 357.391 2.230 0 40 FEAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)cc2)C1=O 409229939 WCGWGAPAHDXEIS-GXDHUFHOSA-N 365.407 2.311 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1nnc2ccccn12 5488523 PTIDNWMZBGJOML-YOEHRIQHSA-N 365.437 2.361 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C 5492000 RUBYXJOBSYNOJW-UHFFFAOYSA-N 371.372 2.484 0 40 FEAB Cc1cc(OCC(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCC3 6659056 ZSUXOZXKLIFEQA-UHFFFAOYSA-N 358.438 2.037 0 40 FEAB COc1cc(CC(=O)NC[C@H]2COc3ccccc3O2)cc(OC)c1OC 5631428 QKDHBAXGEUWCAE-AWEZNQCLSA-N 373.405 2.211 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 66842726 YDVRLPXBYNBBMQ-GOSISDBHSA-N 364.511 2.379 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 5976279 FHBMQDKLRPXFLK-UHFFFAOYSA-N 355.181 2.147 0 40 FEAB O=C(CCNC(=O)c1ccccc1)Nc1ccccc1N1CCOCC1 8778977 KZBNEONCTACFGU-UHFFFAOYSA-N 353.422 2.282 0 40 FEAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccc2c(c1)OCO2)C3 9368038 OIBCZBOLGZXFRO-UHFFFAOYSA-N 354.391 2.201 0 40 FEAB CCc1c(C(=O)CN2C(=O)C[C@]3(CCSC3)C2=O)[nH]c(C)c1C(C)=O 72311155 MQZNJEMSLKCXHF-SFHVURJKSA-N 362.451 2.153 0 40 FEAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 409213142 ORWMIOGVGHZOLM-WQLSENKSSA-N 354.453 2.246 0 40 FEAB COCCn1cc(NC(=O)NC[C@H](C)N2CCc3sccc3C2)cn1 79506364 QUSZOMGOLFQDMM-ZDUSSCGKSA-N 363.487 2.159 0 40 FEAB CN1CCN(C(=O)C2CC2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 306125679 CXOKBWPPNVSKDL-GOSISDBHSA-N 362.437 2.016 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc2c(c1)NC(=O)CO2 95949153 PSIWMPNXXRCHJZ-FZMZJTMJSA-N 372.450 2.320 0 40 FEAB C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 74217478 DNLBDAVWUUAPJB-STQMWFEESA-N 373.906 2.041 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 20480940 JOAHDABWCCGOBV-UHFFFAOYSA-N 362.407 2.374 0 40 FEAB COCC(=O)N1CCc2cc(NC(=O)c3cnc4ccccn34)ccc21 547984216 NRZWBTMFHMEEQB-UHFFFAOYSA-N 350.378 2.122 0 40 FEAB CN1C(=O)N[C@@H]2CN(C(=O)c3cnccc3Oc3ccccc3)CC[C@@H]21 556741954 COACPXUZBVCNDX-CVEARBPZSA-N 352.394 2.112 0 40 FEAB COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219429093 NISDHLMARLAJQT-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1 31072240 KUQXNRWJNVPJJD-AWEZNQCLSA-N 352.412 2.183 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1N1CCCC1 217606072 ZKZFPDJOCNXGLO-UHFFFAOYSA-N 360.435 2.464 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218594528 TXHSFSZKJDXHRF-INMHGKMJSA-N 365.838 2.370 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 43730158 DEWDBMMNZPWYTG-GXYOHSSGSA-N 369.465 2.172 0 40 FEAB Cc1cc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1C 329105798 DDHGBVVJVUCVCI-LBPRGKRZSA-N 354.332 2.436 0 40 FEAB COCc1nnc(NC(=O)CCn2sc3ccccc3c2=O)s1 40266595 LMKBWKCWUBSOPP-UHFFFAOYSA-N 350.425 2.090 0 40 FEAB O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 40088036 MIGLNXZMGMCGCV-UHFFFAOYSA-N 354.815 2.304 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc12 96079111 UOPUINCPOLQYPO-ZWKOTPCHSA-N 371.481 2.442 0 40 FEAB COc1ncccc1CN1CCOC[C@@H]1c1nccc(N2CCCC2)n1 96209632 VOZIGVAZMDPWDS-MRXNPFEDSA-N 355.442 2.054 0 40 FEAB COc1ccc(-c2cc(C(=O)NCCc3ccccn3)n[nH]2)cc1OC 95477499 CKLCRIAJLGYNQK-UHFFFAOYSA-N 352.394 2.461 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(c4ccc(C)nn4)C3)C2=O)c1 96088841 JOPALOSKUYSUFG-HXUWFJFHSA-N 352.438 2.423 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 247953909 NDWGAJHSHGEKTJ-QMERHICCSA-N 356.422 2.229 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)s1 257203342 APOWCNHDCIICMR-NSHDSACASA-N 353.469 2.203 0 40 FEAB O=C(c1cccnc1O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257210870 BWMIZSLFAWGZHA-PXNSSMCTSA-N 354.406 2.378 0 40 FEAB O=C(Cn1cccn1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257332783 XYPNNIPVJRNGEZ-ICSRJNTNSA-N 355.438 2.250 0 40 FEAB COc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 257302601 SDNJVBADWYXDOA-KRWDZBQOSA-N 354.397 2.003 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnccn2)CC1 257307940 TUUNEGGIZFUEAW-BXWFABGCSA-N 367.453 2.285 0 40 FEAB O=C(CNC(=O)[C@@H]1CNC[C@H]1C(F)(F)F)Nc1cccc2ccccc12 653084528 JAGHSZJYNJTWJI-ZIAGYGMSSA-N 365.355 2.292 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3)C2)s1 663430201 VEEXEBWQVXJJOY-GFCCVEGCSA-N 353.421 2.288 0 40 FEAB CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](N3CCc4ccccc4CC3)C2)[C@@H]1C(C)C 1775956868 XMMLRSAECHCBGQ-YUMYIRISSA-N 356.510 2.484 0 40 FEAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2ccccc2F)CC1 58197271 GRNWSKATAICIIH-UHFFFAOYSA-N 374.441 2.209 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)c2ncc(Cc3ccccc3)o2)c1 1538816968 NFDXKFQRVDRJGQ-UHFFFAOYSA-N 357.391 2.165 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)s1 39197616 XMZWOGHZUUSJJE-UHFFFAOYSA-N 357.479 2.477 0 40 FEAB O=C(c1cccs1)N1CCC2(CC1)C[C@@](O)(c1nccs1)CO2 12119040 BLMZYRIOQCYCSW-INIZCTEOSA-N 350.465 2.488 0 40 FEAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)NC(C)C)nc3c2c1C 12182032 MFTYLEJZIFTQGZ-UHFFFAOYSA-N 359.455 2.125 0 40 FEAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCC(N)=O 14249004 CDUGFRJQFDXRSA-AUWJEWJLSA-N 370.336 2.043 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19496456 GBBQIRFNKIROLS-IAGOWNOFSA-N 372.513 2.018 0 40 FEAB CCn1cc(CN2CCN(C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)CC2)cn1 19524963 UYHGKRNVRVQKPH-MRXNPFEDSA-N 368.481 2.113 0 40 FEAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3nonc3N)c2)C1 19712232 LNLUFUQXNPDKRL-CABCVRRESA-N 359.430 2.466 0 40 FEAB CCc1noc(C)c1C(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1 19748671 NTXBYUQJHXBUBQ-UHFFFAOYSA-N 359.401 2.115 0 40 FEAB COC(=O)[C@@H]1CCc2nnc(COc3ccc(Br)cc3)n2C1 601045194 TYZLFSLIKXGULY-SNVBAGLBSA-N 366.215 2.355 0 40 FEAB COc1cccc(N2CCN(C3CCN(C[C@H]4CCCO4)CC3)CC2)c1 252510562 ZNSBQXNPMGDSNE-OAQYLSRUSA-N 359.514 2.461 0 40 FEAB Cc1ncnc(OC[C@@]23CCC[C@H]2CN(c2ccc4nncn4n2)C3)c1C 1888904033 XPJPINNPNNXPLQ-KXBFYZLASA-N 365.441 2.217 0 40 FEAB CS(=O)(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 24844071 YVSGPIUCRUKKCI-UHFFFAOYSA-N 357.785 2.272 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCc2c(COCC3CC3)cncc2C1 1565551770 RUZGASGZCGLNSR-UHFFFAOYSA-N 360.845 2.443 0 40 FEAB Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc(F)cc3F)nc2c1 4503814 HKFZTSMGTLSIOY-UHFFFAOYSA-N 362.361 2.407 0 40 FEAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258794 SRYYJKOZRZNNBV-CQSZACIVSA-N 365.336 2.255 0 40 FEAB C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1nc2c(cc1=O)CCC2 585150455 LSXCWSODSQHSPE-NSHDSACASA-N 367.434 2.450 0 40 FEAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 40069985 HSGJQTRHRKPOEF-GOSISDBHSA-N 373.428 2.008 0 40 FEAB COCCn1cc(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)cn1 79506368 QUSZOMGOLFQDMM-CYBMUJFWSA-N 363.487 2.159 0 40 FEAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 1825647 YZRQPYPGJKUENX-WKYFLPQNSA-N 352.173 2.277 0 40 FEAB COC(=O)Nc1ccc(CNS(=O)(=O)N(C)C2CCCCC2)cc1 56074385 LCTOSTMHFPJFFT-UHFFFAOYSA-N 355.460 2.464 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(Cc2ccccc2)CC1 25507765 GJLULJIQVCYPGX-LPHOPBHVSA-N 357.498 2.054 0 40 FEAB O=C(CN1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1)NC1CC1 56267962 FUQFKDUZMRJYBW-UHFFFAOYSA-N 371.403 2.024 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12604638 IRFZARJWHQRUHE-UHFFFAOYSA-N 360.391 2.078 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1 7604514 OMXUTNWIIWPDOR-UHFFFAOYSA-N 374.890 2.420 0 40 FEAB O=C(NC[C@@H]1CCOC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48183125 ZRPICOBRKFFHKL-UONOGXRCSA-N 370.371 2.207 0 40 FEAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)NCCOc1ccccc1 8943219 XBRRRDOXCATHBL-UHFFFAOYSA-N 357.797 2.245 0 40 FEAB Cc1ccn2cc(C(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)nc2c1 8279974 VVUNOSZHKPCART-CYBMUJFWSA-N 372.450 2.123 0 40 FEAB O=C(NC1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1)c1cccs1 58178162 HGXJMIOUVATXEA-UHFFFAOYSA-N 368.462 2.379 0 40 FEAB Cc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1 2183398 PBFQNWKRAQODNQ-LJQANCHMSA-N 370.497 2.324 0 40 FEAB aggregator COc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2ccc(F)cc2)cc1 58215373 BNMCGSHFKSBOOT-SFHVURJKSA-N 357.385 2.065 0 40 FEAB CNc1cc(CCNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2ccncc2)n1 100776852 DDHZGZIEVOTTSO-WOVMCDHWSA-N 369.469 2.444 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)C1 58406270 DPDWXUCQOGBXQB-HNNXBMFYSA-N 360.454 2.110 0 40 FEAB CCCCn1c(=O)c2sccc2n(CC(=O)NCCC(C)C)c1=O 57427159 QTYWAZOPHDNKPF-UHFFFAOYSA-N 351.472 2.187 0 40 FEAB Cc1cnc(N2CCC3(CC2)C[C@@H](N(C)Cc2ccccn2)CO3)nc1 104952909 YVLTXLYELFVVSD-GOSISDBHSA-N 353.470 2.440 0 40 FEAB CNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1 2622766 JSMMXPOTBNGHNK-UHFFFAOYSA-N 367.452 2.167 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc(Cl)c1 101916680 NOYPKTFHVOEILH-WQXBFISLSA-N 356.809 2.332 0 40 FEAB CCN(CC)CC1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 48343308 OXCCWOCNHQVATL-LJQANCHMSA-N 370.501 2.037 0 40 FEAB CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 3403170 MLOSMISTVLYBQA-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB C[C@@H](N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(C)(C)C 12947191 XHBKSPUWDISEPX-GFCCVEGCSA-N 351.472 2.008 0 40 FEAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCc2ccccc21 3552405 WVZULHHZCPEXLZ-CYBMUJFWSA-N 373.430 2.225 0 40 FEAB Cc1c(NC(=O)c2cccc(N3CCCC3=O)c2)cccc1-n1cnnn1 9049249 IMZCQVLCPGZHPW-UHFFFAOYSA-N 362.393 2.350 0 40 FEAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cccc(F)c1 19530275 KEEIFDHKAAPMCU-KRWDZBQOSA-N 361.417 2.483 0 40 FEAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 4270532 SZNMHWXTDDUOAG-UHFFFAOYSA-N 353.421 2.094 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1 9244965 IYWVDDRRMNXTJB-UHFFFAOYSA-N 374.462 2.197 0 40 FEAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC(=O)O 5246770 ZRNPUXNZYSDVOX-HNNXBMFYSA-N 362.426 2.329 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NCCO 5279153 JCWMTPBGENDDTJ-AWEZNQCLSA-N 354.406 2.225 0 40 FEAB NC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 5310395 XOXUHYMZWHSMKJ-UHFFFAOYSA-N 361.814 2.441 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)NCCSc1ccc(Cl)cc1 5318429 SKESIHWMHWZYIY-UHFFFAOYSA-N 374.853 2.353 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 6646490 ZMMQJUVBQASTOC-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB CCOC(=O)c1nnn([C@H](C)C(=O)Nc2ccc(C)cc2)c1C(=O)OCC 4878207 UJDHIYACVQZITF-GFCCVEGCSA-N 374.397 2.140 0 40 FEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1c(F)cccc1F 96221808 FPBRTMQWEGOGKI-DZKIICNBSA-N 369.437 2.307 0 40 FEAB biogenic Cc1nn(C[C@H](C)C(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1Cl 6921017 WVZXQEDYLXQXRX-MADCSZMMSA-N 352.744 2.258 0 40 FEAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 7056467 ICYIHNITNHCQRR-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB COC(=O)[C@@H](OC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)C(C)C 71794785 MQGYNZWAQHLJJI-LBPRGKRZSA-N 364.423 2.067 0 40 FEAB C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)c1ccc2c(c1)CCC2 7581446 MGGUGLBSNPLEJE-ZDUSSCGKSA-N 367.401 2.468 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCn3c2nc2ccccc23)c1 26817790 LTDMZUCDYFQLOF-UHFFFAOYSA-N 371.418 2.340 0 40 FEAB O=C1CN(C(=O)CNc2ccccc2N2CCCC2=O)c2ccccc2N1 9616654 DVSSXWVRCKFXKW-UHFFFAOYSA-N 364.405 2.211 0 40 FEAB Cc1ccc(SCCNC(=O)Cn2nnc3ccccc3c2=O)cc1 8719631 SJMGLQOXGWYTFE-UHFFFAOYSA-N 354.435 2.008 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)C(C)(C)CNC(=O)OC(C)(C)C 84761315 HXLLPNALHMATKQ-UHFFFAOYSA-N 357.495 2.301 0 40 FEAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CCCn1cncn1 76041754 DUHJWSFYPOCSQL-HUUCEWRRSA-N 365.478 2.258 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)[C@@H]2C1 408678579 FTDCJYFOKWQFQZ-HLLBOEOZSA-N 368.433 2.441 0 40 FEAB CNc1nc2c(s1)[C@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2 66091373 WURHEQRYYIBSTJ-QMMMGPOBSA-N 363.395 2.405 0 40 FEAB C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 72293613 ABZXEICJDNFFSL-ZJUUUORDSA-N 353.362 2.117 0 40 FEAB Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3cc[nH]c3C)CC2)c1 121440807 HHSTVOYCBGIAHR-UHFFFAOYSA-N 355.438 2.303 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@H]1c1cccc(F)c1 72241676 UVWQPNVQHCLISJ-QZTJIDSGSA-N 360.360 2.180 0 40 FEAB CCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 32116713 ISZWKXRUIFIUSX-UHFFFAOYSA-N 360.479 2.446 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3ccccc3C)nc2s1 41077277 IJAKOTWKFGDTBI-UHFFFAOYSA-N 359.407 2.353 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)nn1 570024946 BKUJMOXCIHEVCX-SUMWQHHRSA-N 356.401 2.406 0 40 FEAB CNC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754474 JCWMRCWQALCVLA-UHFFFAOYSA-N 366.414 2.160 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(CCc1ccccc1)S(C)(=O)=O 226039681 ZNKICXNQUXKJBY-MRXNPFEDSA-N 372.490 2.469 0 40 FEAB Cc1ncsc1CN1CC[C@H]2O[C@H](C(=O)Nc3cnccn3)CC[C@H]21 96040905 BIARCNNVRYNVGJ-MCIONIFRSA-N 359.455 2.002 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc12 96242055 YPNAHLHFYRZUGD-HNNXBMFYSA-N 364.511 2.336 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96240809 XFZQPBNUDRQUGU-GOSISDBHSA-N 374.456 2.150 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242548249 LFLHUJWIIGKJIL-WOSRLPQWSA-N 374.890 2.073 0 40 FEAB CC[C@@H]1CN(C)CCN1C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 585085985 LHJZCSRMKZWBEN-MRXNPFEDSA-N 364.453 2.290 0 40 FEAB C[C@@H]1[C@@H](NC(=O)N(C)CC2=CCCOC2)CC(=O)N1Cc1ccccc1 661126514 PBFIKMQIZWEHCP-QAPCUYQASA-N 357.454 2.164 0 40 FEAB COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1cnn(-c2ccccc2)n1 90608594 BIWCCBFEQGIJOA-MRXNPFEDSA-N 368.418 2.241 0 40 FEAB Cn1cc(CC(=O)N2C[C@@H]3CN(C[C@H]4CCC(F)(F)C4)C[C@]3(C)C2)cn1 1616034105 XOMIAYDEAHHEPM-QILLFSRXSA-N 366.456 2.178 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 643994447 GPLUFCUHVUPYST-HXUWFJFHSA-N 353.422 2.273 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)Cn3nc(C)cc3C)C2)c1 585272119 LBCUNBHCAFADPI-HXUWFJFHSA-N 357.454 2.241 0 40 FEAB CO[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CC[C@@H]1Cc1ccc(C)cc1 585278260 AQAZGVJGZOKJDK-MJGOQNOKSA-N 354.450 2.414 0 40 FEAB C[C@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)C1=CCCC1 585098441 YLCXELAAUQJYQD-LBPRGKRZSA-N 357.389 2.405 0 40 FEAB CC(C)(C)CC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775963842 GMOXWVZXGXZYEW-AWEZNQCLSA-N 371.441 2.381 0 40 FEAB biogenic,in-vitro Cc1ocnc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615124262 WFCLIRFXWWKPPF-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)Nc3cc(C)on3)nc2C2CC2)on1 105750067 DVGHTALMLRNHEH-UHFFFAOYSA-N 355.354 2.019 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)ncc2C1 19018577 BADXVNWDEMJRRS-SFHVURJKSA-N 350.422 2.359 0 40 FEAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O 19237622 AHPPFQZHCMTNRN-OAHLLOKOSA-N 354.435 2.108 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(F)cc1 19291208 COHRLYXSFJFRQE-KRWDZBQOSA-N 366.396 2.256 0 40 FEAB CCN(CC)C(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19526141 URLRJUGJHOXNCH-INIZCTEOSA-N 373.497 2.243 0 40 FEAB COc1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)ccc1O 19550073 WMKGVOXAEFZVEK-OAHLLOKOSA-N 366.425 2.114 0 40 FEAB Cc1cc(OC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc(C)n1 390826902 RCLYCVPETNARGU-SFHVURJKSA-N 369.421 2.303 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1)C1CC1 1888869619 SQZWBIFTNJJIQF-SNVBAGLBSA-N 350.271 2.439 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 14519524 PYWLQHMECQIFSM-BZNIZROVSA-N 351.366 2.044 0 40 FEAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 24032375 NRVAKHYFRKQGJN-GOSISDBHSA-N 371.437 2.350 0 40 FEAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CC(=O)N2CCCC2)CC1 25194224 JNBYCAWUZJQWQJ-VMPITWQZSA-N 361.873 2.120 0 40 FEAB COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 240068087 SHWYKKTWBZTLTF-HDJSIYSDSA-N 363.439 2.154 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565544551 LDBMMZQKJQCFFB-KRWDZBQOSA-N 369.469 2.390 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1ccc(F)cc1 49410368 YJFNHIGYVYCNRT-UHFFFAOYSA-N 350.415 2.210 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](OCCO)c1cccs1 575622184 XHUWITILYUFGMP-NBUZRDOWSA-N 361.419 2.356 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19580762 WKYXPRXQVOSYLZ-GOSISDBHSA-N 369.469 2.414 0 40 FEAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 16034002 RVCBCMYGHRUFDK-YZVOILCLSA-N 351.450 2.083 0 40 FEAB Cc1ccc(-c2noc(CN3CCN(c4cc(C)nc(N)n4)CC3)n2)cc1 40071562 AIRMHWOQFOBVEK-UHFFFAOYSA-N 365.441 2.048 0 40 FEAB CC(C)Oc1ccc(CNC(=O)CCS(=O)(=O)C2CCCC2)cn1 40121745 SGOCDRUPCSMWAY-UHFFFAOYSA-N 354.472 2.233 0 40 FEAB O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N(C[C@H]2CCOC2)C2CC2)C1 40107956 XKTUPNVEMWKVJA-MOPGFXCFSA-N 370.493 2.495 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4ccc(C)cc4)=NO[C@H]3C2=O)cc1 101507985 HNNDYARFOQKDEP-FUHWJXTLSA-N 364.357 2.213 0 40 FEAB NC(=O)[C@@H]1CCCN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 103437780 HDAAJYPXRASPLV-ROUUACIJSA-N 365.433 2.103 0 40 FEAB CNC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)C2CC2)CC1 54213221 ZRGYAYZBKARWSN-UHFFFAOYSA-N 363.845 2.287 0 40 FEAB COc1ccccc1NC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 36398867 RRWDRFPFFOPXLW-GOSISDBHSA-N 368.437 2.071 0 40 FEAB COc1cc(C(=O)Nc2ncc(C)s2)cc(Cl)c1OCC(N)=O 10817448 RPJZPOVLCWIQGL-UHFFFAOYSA-N 355.803 2.230 0 40 FEAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2COCCO2)cc1 30844806 ZVPZBCNQZAWAKS-HXUWFJFHSA-N 354.450 2.447 0 40 FEAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)s1 31812470 JUABJGVVGKYBAH-NSHDSACASA-N 350.831 2.487 0 40 FEAB C[C@H]1CCc2sc3nc(NCCN4CCOCC4)n4ncnc4c3c2C1 20502455 VYZCACUIXDRLRZ-LBPRGKRZSA-N 372.498 2.208 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(F)c1 8035124 LTBABUYBBNJZDB-UHFFFAOYSA-N 365.361 2.032 0 40 FEAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccco2)n2nnnc2N3)cc1 10295615 CLAOXSBIIVDZIN-OAHLLOKOSA-N 363.337 2.132 0 40 FEAB CCCc1noc(CCC(=O)NCc2cccc(N3CCCC3=O)c2)n1 32312445 GIVFFLSVFRLLLE-UHFFFAOYSA-N 356.426 2.398 0 40 FEAB O=S1(=O)N=C(NCCNc2ccc3ccccc3n2)c2ccccc21 67540946 HCMKGSXQDYAPFG-UHFFFAOYSA-N 352.419 2.385 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 2636377 UIYFCFXGVIUSEF-HNNXBMFYSA-N 357.435 2.452 0 40 FEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NCc1ccccc1 2624339 BMTMZIWOIAASER-UHFFFAOYSA-N 370.800 2.020 0 40 FEAB O=C1CN(C(=O)CCCNC(=O)c2ccc(F)cc2F)c2ccccc2N1 22632841 JBDMVZDIJUQCRE-UHFFFAOYSA-N 373.359 2.460 0 40 FEAB COc1ccc(-c2nn3c(O)cc([C@H]4CC(=O)N(C)C4)nc3c2C)cc1 100775736 DGRYHXPJDDDPII-ZDUSSCGKSA-N 352.394 2.365 0 40 FEAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(N2CCNC2=O)c1 47042074 MXDWJSVBFFQBCM-MRXNPFEDSA-N 351.362 2.457 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377576 JLCFJNZTUINILZ-NFAWXSAZSA-N 353.300 2.045 0 40 FEAB COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1Br 23641469 WOOKUYOWKQBWJX-UHFFFAOYSA-N 371.275 2.298 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NC(=O)NC1CCCCC1 54658657 ZAOGGDMMZNFHAG-UHFFFAOYSA-N 354.410 2.069 0 40 FEAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(-n2cnnn2)c1 24389808 LTBBIWURPCIXIQ-UHFFFAOYSA-N 362.437 2.188 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccs2)n(C)c1 24477709 UGVNLJZYNAQCEX-UHFFFAOYSA-N 355.485 2.047 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 25561338 QRTYZRPTMZLNAS-UHFFFAOYSA-N 356.470 2.267 0 40 FEAB COc1ccc(C(=O)N2CCN(c3cc(-c4cccnc4)n[nH]3)CC2)cc1 62007428 LVDIBNSWRSHIGP-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB CN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCc2ccccc21 26915770 YTMAFFJNZRXANE-LJQANCHMSA-N 365.481 2.135 0 40 FEAB CCc1noc([C@H](C)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)n1 58180013 AQFNSQRXMKOZMZ-HNNXBMFYSA-N 372.469 2.479 0 40 FEAB CCN(CC)Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)o1 58174719 DDGAOIUUPBOFOD-UHFFFAOYSA-N 357.458 2.310 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2139810 JLBAEVOIHDERHA-HNNXBMFYSA-N 361.394 2.350 0 40 FEAB biogenic C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCSCC2)c1 58202432 QSLRUUUOHWSDQL-PBHICJAKSA-N 361.511 2.336 0 40 FEAB Cc1nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2s1 3326856 JTCBAMXQHITFSH-UHFFFAOYSA-N 366.402 2.247 0 40 FEAB CCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 7675917 HIWUCWKBOGGATE-UHFFFAOYSA-N 351.362 2.133 0 40 FEAB Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(=O)O)c(=O)n(-c2ccccc2)n1C 7785569 CKZWCTGBJCHEDJ-VXGBXAGGSA-N 363.439 2.018 0 40 FEAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)no1 306138016 RMQUQHCBMBMQMW-CQSZACIVSA-N 369.412 2.126 0 40 FEAB CC1CCC(N(C)C(=O)c2ccc(CN3C(=O)C(=O)N(C)C3=O)cc2)CC1 13003471 IJVOYTZUNXVMRQ-UHFFFAOYSA-N 371.437 2.258 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCO1 13133622 GISIHURYIOSURF-MRXNPFEDSA-N 352.456 2.287 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cccc(C)c1C)n2C 7990778 MXPVMAROKKFPCX-UHFFFAOYSA-N 355.442 2.452 0 40 FEAB Cc1nc(-c2cccc(NC(=O)c3sccc3-n3cnnn3)c2)no1 64329318 WDBHHFUOYPXXOY-UHFFFAOYSA-N 353.367 2.335 0 40 FEAB O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccc[nH]c1=O 65257799 ZGTOELKVBVUESR-UHFFFAOYSA-N 365.393 2.409 0 40 FEAB CN(C)CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 5245659 AWWXWMAKYRORCR-UHFFFAOYSA-N 358.438 2.119 0 40 FEAB CC[C@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 8403170 PXEUWBVJEQCHHS-CQSZACIVSA-N 371.462 2.035 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)no1 14249462 JNMLIKVNVUYJSD-SECBINFHSA-N 361.379 2.211 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NCCc1ccc2c(c1)OCCO2 14866892 DLGQIHKXLDCZGP-UHFFFAOYSA-N 364.405 2.319 0 40 FEAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)n[nH]1 8611634 UZSXMXZFWBXAAA-UHFFFAOYSA-N 359.791 2.049 0 40 FEAB O=C(OCC(=O)c1ccc(O)cc1O)c1cnn(Cc2ccccc2)c1 18348444 GKJZEQIMTVYWDL-UHFFFAOYSA-N 352.346 2.382 0 40 FEAB CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1 18958792 FZCYJZNGGANIIW-UHFFFAOYSA-N 365.389 2.247 0 40 FEAB O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303332 OMPWKHKHGNHKOJ-CYBMUJFWSA-N 363.414 2.260 0 40 FEAB COc1ccccc1[C@H](NS(=O)(=O)c1ccccc1)c1nccn1C 9338301 SMKFYFIYXTYGQA-KRWDZBQOSA-N 357.435 2.497 0 40 FEAB COc1ccccc1CC(=O)OCC(=O)NCc1cccc(OC)c1OC 72333732 DVWLPNAMMZCRTO-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB Cc1ccn2ncc(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)c2n1 87500429 OZNBAZSPHMZCTJ-GFCCVEGCSA-N 357.364 2.325 0 40 FEAB Cn1cnnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24267800 KHACTYJDIFEZOW-AWEZNQCLSA-N 374.466 2.432 0 40 FEAB CC(C)(C)OC(=O)NCC1(C(=O)NC[C@@]2(O)CCSC2)CCCC1 79093273 JQQGNNWEEINKNI-KRWDZBQOSA-N 358.504 2.056 0 40 FEAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 74682570 UUCNEZRLNKOPKB-IRXDYDNUSA-N 357.454 2.089 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 9973848 OULDFQCEVDLAKZ-LLVKDONJSA-N 352.387 2.140 0 40 FEAB Cc1nccn1-c1cncc(N2CCC[C@H](CNC(=O)c3ccco3)C2)n1 509481167 VEXKDUKUIPGPEI-OAHLLOKOSA-N 366.425 2.210 0 40 FEAB Cc1c(F)cccc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 409000722 FOBUGDHBBOKGQZ-MRXNPFEDSA-N 373.384 2.243 0 40 FEAB Cc1cccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)n1 306124000 BCSOBMNXDRYJIE-CGTJXYLNSA-N 357.479 2.328 0 40 FEAB CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409067092 JFQFYGJHSLGEER-UHFFFAOYSA-N 350.415 2.153 0 40 FEAB Cc1ccnc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)c1 70638125 ADSHZGYVLOVURZ-OAHLLOKOSA-N 363.425 2.221 0 40 FEAB CCOC(=O)C(C)(C)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 557440557 KIFVLVYXSHZFGD-UHFFFAOYSA-N 371.437 2.136 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1F 37498753 DSLJZNKBVTYNNW-CYBMUJFWSA-N 355.207 2.471 0 40 FEAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 75433458 AHKRATNUYSVEFA-UHFFFAOYSA-N 364.448 2.087 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1N1CCCCC1 217628231 TUEJOIIXLXSROV-UHFFFAOYSA-N 364.423 2.447 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)C2(CN)CN)cc1 218390458 IEWOSWZVKGMLJN-DLBZAZTESA-N 364.898 2.492 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)c1cc(=O)c2ccccc2o1 70930481 IFJMCDVUCBOGQB-UHFFFAOYSA-N 364.405 2.229 0 40 FEAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217520145 ZVRRIBLJZWQYNU-AWEZNQCLSA-N 370.471 2.300 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCC2)s1)c1ccccc1 223133194 MUTPTJAQIBTULF-UHFFFAOYSA-N 366.468 2.401 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 195529620 ZOMWSYXRZYXWQI-UXLLHSPISA-N 361.486 2.169 0 40 FEAB OCCNc1nc(N2CCCCC2)nc2c1cnn2-c1ccc(F)cc1 40217214 NKFQZSIEVIWTSF-UHFFFAOYSA-N 356.405 2.349 0 40 FEAB COc1cc(C)n(CCNC(=O)c2ccc(-n3cccc3)cc2)c(=O)c1 225615726 XEOYLIKQCDECAM-UHFFFAOYSA-N 351.406 2.386 0 40 FEAB CN(c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1)S(C)(=O)=O 225399785 GLADMQGWFFVTLN-UHFFFAOYSA-N 362.407 2.106 0 40 FEAB CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 96098678 OPTQYELEJJRTNZ-UHFFFAOYSA-N 370.457 2.295 0 40 FEAB CCS(=O)(=O)N1CCC[C@]2(CCCN2C(=O)CCc2ccccc2)C1 96214534 JJNOMTOALZLQQG-IBGZPJMESA-N 364.511 2.426 0 40 FEAB O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 247805426 ATLQXFAUVITTMM-AWEZNQCLSA-N 352.398 2.041 0 40 FEAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(C(=O)c3ccoc3)CC2)C1 247937813 LWODURLGOJVVCE-SFHVURJKSA-N 360.454 2.407 0 40 FEAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1ccc3ccccc3n1)C2 248030583 TVNXPFCXAVXVFB-KRWDZBQOSA-N 371.506 2.400 0 40 FEAB Cc1cccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)n1 257308821 TYGODDVGZVKNGB-GJZGRUSLSA-N 369.469 2.058 0 40 FEAB COCCOc1cc(C(=O)NCc2nc(-c3ccccc3)no2)ccn1 253401695 NKYHZEOVXVGGBT-UHFFFAOYSA-N 354.366 2.087 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513867 AMKRFJXITVXSSX-IIAWOOMASA-N 351.811 2.062 0 40 FEAB C=CC(=O)N(C)CC(=O)Nc1cccc(I)c1C 1633772728 GONXYSTUPNQMNQ-UHFFFAOYSA-N 358.179 2.183 0 40 FEAB O=C(Cc1cnn2c1CCCC2)N1CCC(c2nnc3ccccn23)CC1 630556432 XNOBEZCPCYLRHB-UHFFFAOYSA-N 364.453 2.211 0 40 FEAB Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 684156451 PNSTYALQIHBHSE-CQSZACIVSA-N 372.469 2.075 0 40 FEAB Cc1scc(CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)c1C 1775961722 UZPZXPROJKIWFQ-UHFFFAOYSA-N 360.483 2.225 0 40 FEAB Cc1nc(C)c(CN2CCC[C@@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)s1 585099458 LIEVTIYOJKCZPL-LJQANCHMSA-N 372.494 2.088 0 40 FEAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCCc1cccs1 585095768 JANUFSILPGPRME-INIZCTEOSA-N 372.494 2.377 0 40 FEAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccc(F)cc1 12084774 HQKRZUMQYRUHPL-CQSZACIVSA-N 357.429 2.399 0 40 FEAB COCCn1c(=O)n(CC(=O)Nc2ccccc2Cl)c2cccnc21 12117511 RIMJGHIUSNJZBM-UHFFFAOYSA-N 360.801 2.137 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CN2CC=C(c3ccccc3)CC2)c1 12533724 XVTRMIWHICLCJW-UHFFFAOYSA-N 371.462 2.062 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCCCOC2CCCCC2)cc1 15359834 RGXXVUHDDRQHLR-UHFFFAOYSA-N 355.456 2.491 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC 16681786 IXFBIIJCSUSHJW-CYBMUJFWSA-N 362.451 2.484 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 17054738 AFFBOSLHERYNIZ-AWEZNQCLSA-N 368.499 2.257 0 40 FEAB CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CN(C)CC2 19711433 MKTXHJRXOVBSPH-HNNXBMFYSA-N 357.502 2.402 0 40 FEAB C[C@]12CCC[C@](CO)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 257410937 DWSHSMIESAAXBC-TYVQWCHMSA-N 352.471 2.180 0 40 FEAB biogenic,in-vitro O=C1COc2ccc(C(=O)Cn3cccc(C(F)(F)F)c3=O)cc2N1 12983486 XTTLCNLRVDXIID-UHFFFAOYSA-N 352.268 2.081 0 40 FEAB CN([C@H]1CCN(c2ccnc(C3CC3)n2)C1)S(=O)(=O)Cc1ccccc1 1888876375 UAVDYPIZOOSJAN-KRWDZBQOSA-N 372.494 2.395 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(I)cc1 31551413 SQZCFOJYGMNXHH-CABZTGNLSA-N 372.206 2.392 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)CC4(O)CCC4)C3)C2=O)n1 1565551509 GOJAYAGBHQUOTK-HXUWFJFHSA-N 371.481 2.036 0 40 FEAB O=C(NCc1nnnn1-c1ccccc1)c1ccccc1Br 10592946 LLFYMRRWWLUNDY-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(F)cc1 13036709 MSBDSMMZGLRJBB-UHFFFAOYSA-N 367.315 2.244 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@@]1(CC2)CCN(C(=O)[C@@]2(C)CC=CCC2)C1 2055794523 ZCKZIBRIMPJJEQ-PMACEKPBSA-N 371.485 2.037 0 40 FEAB CN1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)[C@H](c2ccccc2)C1 30029336 BRVAKZHMEKQDOF-SFHVURJKSA-N 373.478 2.187 0 40 FEAB Cc1cc(C)c(C(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)cc1C 40156485 GSXHYKLCYWURLB-GOSISDBHSA-N 369.417 2.129 0 40 FEAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)O[C@H]1CCOC1=O 10811814 SHANYQOCCXBKCT-INIZCTEOSA-N 353.378 2.291 0 40 FEAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 7685059 DDXPCKPUNXNMOU-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB COc1ccc(CC(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1 32090905 CUJFGUPXHMMGDW-UHFFFAOYSA-N 365.433 2.276 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CNC(=O)COc3ccccc3)sc2C1 11448999 COBPNHFOVNPJII-LBPRGKRZSA-N 359.451 2.402 0 40 FEAB COc1ccccc1CNC(=O)c1nn(-c2ccc(C)c(C)c2)nc1CO 21149162 VKWSZHSMTZUSBT-UHFFFAOYSA-N 366.421 2.315 0 40 FEAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 21733530 FLWBQIUFIZFJGU-NSHDSACASA-N 351.380 2.388 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 52939259 UDSAIPCFCZOLEZ-OAHLLOKOSA-N 372.918 2.451 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102082051 YONVZRPTOMXTJX-FECKYUFXSA-N 350.418 2.375 0 40 FEAB COc1ccc(CNC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 42115589 LCBZSOWKIXBKMB-UHFFFAOYSA-N 358.442 2.327 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N1CCc3ccc(Cl)cc31)[C@H]1C=C[C@H]2C1 104041415 CXMHWFDHCRKVCQ-SYWGBEHUSA-N 356.809 2.036 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)NC[C@@H]1CCCc2ccccc21 46754825 NHNZDRCRTYUJLP-AWEZNQCLSA-N 370.478 2.452 0 40 FEAB O=C(NCCc1nnc2n1CCC2)c1ccc(COc2ccccc2)o1 42502725 JLBIRBMQMXOPSI-UHFFFAOYSA-N 352.394 2.369 0 40 FEAB Cc1ccn2ncc(C(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)c2n1 106707549 VHZGCPYQDCJLMU-ZDUSSCGKSA-N 357.364 2.325 0 40 FEAB Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1F 25263384 ATAOIGNIYIYFRF-UHFFFAOYSA-N 368.405 2.258 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 27133003 CHTDMOIVUJRWNQ-GFCCVEGCSA-N 366.361 2.338 0 40 FEAB CC(C)N(Cc1cnn(C)c1)C(=O)CCc1nc(-c2cccnc2)no1 56026003 KDDMWMWCTYCHFP-UHFFFAOYSA-N 354.414 2.235 0 40 FEAB CN1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3)cn2)CC1 26284624 TUBBOVCZARKTET-UHFFFAOYSA-N 373.888 2.486 0 40 FEAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1 108062272 HQXBOADYQGICBX-BPUTZDHNSA-N 355.438 2.295 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2C(=O)CC3(CCCC3)C2=O)cc1 8328140 YKYNQROWJAXOLU-LBPRGKRZSA-N 357.410 2.291 0 40 FEAB CC1CCN([C@@H](C)CNC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 58179255 JJZKTWAJLPAXPL-ZDUSSCGKSA-N 359.392 2.104 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 3204712 OCKZDKNMEUQGEQ-GFCCVEGCSA-N 374.890 2.279 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 48253404 TVQVAINAMJPBBN-MRXNPFEDSA-N 358.438 2.158 0 40 FEAB O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 48373397 XKWYFABPKKVYAN-GOSISDBHSA-N 370.497 2.337 0 40 FEAB CCCCNC(=O)N(O)[C@@H]1N(CCCC)C(=O)N(CC(=O)OC)C1(C)C 3876654 KCOGKASIXVPPTP-AWEZNQCLSA-N 372.466 2.003 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c1C 5212070 GFRDZOKCGPMLTI-ZDUSSCGKSA-N 358.394 2.280 0 40 FEAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1 5345759 CVOBBKBPZOIDPM-UHFFFAOYSA-N 358.375 2.001 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nncn1C1CC1 14115511 IBCJUQMWXLXISS-CYBMUJFWSA-N 360.439 2.004 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 14163812 XANBHBDAGLYACU-WGAFOPHPSA-N 374.437 2.130 0 40 FEAB CSc1nc(-n2ncc(C#N)c2N)c2c3c(oc2n1)COC(C)(C)C3 4548262 VGCRRITZHZDCEX-UHFFFAOYSA-N 356.411 2.436 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6636660 FIQWRSHSBWSNMP-HNNXBMFYSA-N 368.499 2.273 0 40 FEAB COc1ccc(C(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6649561 BRJRCJJMIUZTJY-NSHDSACASA-N 352.346 2.360 0 40 FEAB O=C(C[C@H](CN1CCOCC1)C(=O)O)Nc1cccc(C(F)(F)F)c1 71282808 VFUAKIMJRXJOFC-LLVKDONJSA-N 360.332 2.067 0 40 FEAB COC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 15791187 TWSYGULWSOCWPL-LBPRGKRZSA-N 366.414 2.391 0 40 FEAB O=C(NCCC1=CCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858484 IEIYNHIDEIXARN-UHFFFAOYSA-N 362.451 2.373 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)NCCc3cccs3)ccc21 9479186 FOUVSKDPOOYAQZ-UHFFFAOYSA-N 350.465 2.043 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCN(C)c2ccccc2)c1 24357800 PUEHLJGOROVMAU-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccco1 409062379 SSGFLSCMGRBPGT-GDNBJRDFSA-N 372.402 2.436 0 40 FEAB Cn1c(SCCN2C(=O)c3ccccc3C2=O)nc2sccc2c1=O 20861751 FHGDHROQWOZYKH-UHFFFAOYSA-N 371.443 2.383 0 40 FEAB COc1cccc2c1OC[C@H](NC(=O)Nc1cnn(CC(F)F)c1)C2 72549858 YHVNGVJARIZEFO-LLVKDONJSA-N 352.341 2.282 0 40 FEAB O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1cccc(Cl)c1 95436042 TTWDJMSNJAYDIS-GOEBONIOSA-N 355.843 2.103 0 40 FEAB C[C@@H](c1ccccc1)N1CC[C@H](NCCS(=O)(=O)NCC2CCC2)C1 88718363 QCOJSBSMRFKYGL-LPHOPBHVSA-N 365.543 2.131 0 40 FEAB O=C(c1cc([C@H]2CCCN(Cc3ccccc3)C2)n[nH]1)N1CCOCC1 72380490 LZKMSOGJXXWZDY-KRWDZBQOSA-N 354.454 2.262 0 40 FEAB CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2N1Cc1ccccc1 306127205 FRRQQSABNPIJJY-SOUVJXGZSA-N 370.371 2.213 0 40 FEAB Cc1csc(CNC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1 506601904 MSSSODXOMHNPGM-STQMWFEESA-N 350.467 2.014 0 40 FEAB COC(=O)c1ccc(OCCCN(C)C)c(I)c1 39951856 UXHBXNKAENMECQ-UHFFFAOYSA-N 363.195 2.408 0 40 FEAB CN1C(=O)N[C@@](C)(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)C1=O 1530052446 MYPBMWMYKMANHV-KRWDZBQOSA-N 358.785 2.384 0 40 FEAB CC[C@@H](C)C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980666 WBFQITNXZKBFHC-NVXWUHKLSA-N 360.454 2.337 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)NCCc3nn(C)c4ccccc34)C2)n1 185496485 SUIAAOJMKQUFSQ-AWEZNQCLSA-N 368.441 2.396 0 40 FEAB CN1C(=O)CC[C@H](C(=O)OCc2cccnc2Cl)[C@@H]1c1cnn(C)c1 78755981 LCYYABNQWRNXII-ZFWWWQNUSA-N 362.817 2.121 0 40 FEAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCN(C(N)=O)CC1 78503898 CMSBYYCNVCJTKT-SNVBAGLBSA-N 360.241 2.374 0 40 FEAB CCCn1cc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)c(C)n1 40284833 LEDAAJGYAVGGOK-UHFFFAOYSA-N 369.347 2.270 0 40 FEAB CCNC(=O)c1nsc(C(=O)NCc2ccc(SC)cc2)c1N 49006215 ZFMRAOQKGMDNQN-UHFFFAOYSA-N 350.469 2.127 0 40 FEAB COc1cccc(CCNC(=O)[C@@H]2c3c(ncn3C)CCN2C(C)C)c1 96147153 HBZSHNPTQJSJGN-IBGZPJMESA-N 356.470 2.095 0 40 FEAB O=C(O)c1cn([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)s3)C2)nn1 577274685 HAEZDELWGDVGNP-GFCCVEGCSA-N 374.401 2.009 0 40 FEAB CS(=O)(=O)c1ccc2ncn(CCc3ccc(F)c(F)c3)c(=O)c2c1 577308854 UJEQNLWCRURTAA-UHFFFAOYSA-N 364.373 2.321 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1 96050679 IYPIZERUSKAJBQ-OAQYLSRUSA-N 365.433 2.355 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc2n[nH]cc12 581867244 JDGRGWWGVDWWGJ-QGZVFWFLSA-N 362.455 2.304 0 40 FEAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 95101350 HVZJRELUYWVPSK-SIXWZSSISA-N 360.410 2.131 0 40 FEAB COc1ccc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cc1 248138548 OQOUJPPWIAVUQZ-GOSISDBHSA-N 364.405 2.390 0 40 FEAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3coc(C4CCC4)n3)C2)nn1 583618950 LPZJOWOCBFHRTD-SFHVURJKSA-N 359.430 2.238 0 40 FEAB Cc1c(CCC(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cnn1C 257278716 ODIWCHQXAKAJNN-QWFCFKBJSA-N 357.454 2.138 0 40 FEAB NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516391 SIKQPQOTOFKFHB-BBWFWOEESA-N 351.855 2.217 0 40 FEAB CN1CC=C(CNC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)CC1 537256019 ZNEXKPHPFUIXCZ-UHFFFAOYSA-N 368.359 2.296 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)CCO2)cn1 267550134 CBDAJLWCTKFIGK-KSSFIOAISA-N 356.426 2.069 0 40 FEAB COCCCS(=O)(=O)N1CCN(c2nc3cccc(C)c3s2)CC1 684578625 UXBUQBUQAKYOHV-UHFFFAOYSA-N 369.512 2.093 0 40 FEAB CCc1nc(C)cc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)n1 1615591691 OTMVHCOAOVTCDY-SJORKVTESA-N 373.501 2.230 0 40 FEAB O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 294053248 MKIVHOPJEDJXED-GFCCVEGCSA-N 364.442 2.407 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)CCc3c(C)n[nH]c3C)C2)cc1 585272662 PCOQULWDYCGGJR-HXUWFJFHSA-N 357.454 2.310 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)nc3C2)n(C)n1 585111677 FHOXQHINENDUGV-KBPBESRZSA-N 371.485 2.393 0 40 FEAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1(F)CCC1)c1ccccc1 585108243 BZZJWWWUWQDKJK-ULQDDVLXSA-N 360.429 2.315 0 40 FEAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 55546090 HFBIICVTFSSYMV-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1nc[nH]n1 12409592 OVOKCSSKVABMJC-UHFFFAOYSA-N 356.382 2.490 0 40 FEAB CCc1nnc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)s1 13122800 NICFEXNQGZLQRZ-UHFFFAOYSA-N 362.440 2.322 0 40 FEAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 13669902 IDFXPPSZZBEJHY-CQSZACIVSA-N 374.462 2.439 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 17334687 RUMPJKSFOBBBJG-ZDUSSCGKSA-N 350.415 2.151 0 40 FEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1F)C[C@H]2CO 19375515 YZDWZODOQODNLD-LAUBAEHRSA-N 354.425 2.365 0 40 FEAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458437 QKZOKICPDSADQL-LBPRGKRZSA-N 352.369 2.391 0 40 FEAB CCc1[nH]c(=O)c(C(=O)Nc2cc(C)nn2Cc2ccncc2)cc1C 19521480 YBOLMRRJCXNUNN-UHFFFAOYSA-N 351.410 2.446 0 40 FEAB CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CCN(C)C2 19708857 IRABJNGVZXKPTN-HNNXBMFYSA-N 357.502 2.402 0 40 FEAB COCCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@H]2NC(=O)CCCC[C@H]21 19712839 PXTKHRKBGDHJIM-QKLQHJQFSA-N 360.454 2.085 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4cccc(F)c4)CO3)C2)cn1 643586030 PTYFEYRPCIMPAW-YVWKXTFCSA-N 356.397 2.289 0 40 FEAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2cnc3ccccc3n2)CN(C)C1=O 1888870173 MRNQWQUGEFHUFW-HXYJGCDHSA-N 352.438 2.377 0 40 FEAB CC(=O)OC(C)(C)C(=O)N1CC[C@H](Oc2ncccc2Br)C1 238894461 QXMJNFJQRMPAAY-NSHDSACASA-N 371.231 2.166 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839757 CHNALQIDCIDZOL-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@]12CCN(C(=O)[C@H]1CCOC1)C2 1565547433 PMDZSFOZNOLWIZ-LAUBAEHRSA-N 366.465 2.003 0 40 FEAB C[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 4479663 JMSCYCRGTCUGDY-KBPBESRZSA-N 359.426 2.005 0 40 FEAB COc1ccc(OCC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 8924903 AXJJSDPGILQWPH-HNNXBMFYSA-N 354.406 2.243 0 40 FEAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1 11694272 IFTTYOFSDJUBOU-UHFFFAOYSA-N 364.471 2.401 0 40 FEAB Cc1csc2c(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)ncnc12 2086889751 WOLQSVLUHICOLY-LBPRGKRZSA-N 366.512 2.393 0 40 FEAB CC(=O)Oc1ccc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575611115 ALVQMVUVMOGPTQ-HNNXBMFYSA-N 361.785 2.349 0 40 FEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1nnc2n1CCCCC2 40025735 BNFSVJCRLCGJER-AWEZNQCLSA-N 371.466 2.124 0 40 FEAB CCOc1ccc(CCC(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 55288563 SOSITBFNMKNEIT-IYBDPMFKSA-N 362.470 2.160 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 24840587 RZGUVOKIFJYDPK-MRXNPFEDSA-N 359.403 2.119 0 40 FEAB O=C(Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21)NC1CC1 1340196 ZSUOXXFXCZNJRN-UHFFFAOYSA-N 372.494 2.420 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc2ccccn2c1=O 25250382 HEQSZHQXXHRJHT-UHFFFAOYSA-N 362.433 2.089 0 40 FEAB CC[C@H](c1ccccc1)N(CC(=O)OC)CC(=O)N1C[C@@H](C)O[C@H](C)C1 107367125 GZZCAQFGQHOHTD-JFIYKMOQSA-N 362.470 2.249 0 40 FEAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)C2)no1 108130900 NGPSEHLIPKBMFC-MWDXBVQZSA-N 374.485 2.408 0 40 FEAB CCc1cc2c(=O)n(C[C@H](O)COc3ccc4c(c3)OCO4)cnc2s1 58163070 SJKWULRXXYLSKM-NSHDSACASA-N 374.418 2.189 0 40 FEAB CN(Cc1ccncc1)C(=O)CNC(=O)COc1ccc(F)c(Cl)c1 58180735 DUEUBACDSGTSQT-UHFFFAOYSA-N 365.792 2.028 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3C[C@@H]2C[C@H]3C=C[C@H]2C3)n1 100737800 VXOZUBGEFHHEOQ-NFAOJTSKSA-N 355.482 2.122 0 40 FEAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CCS(=O)(=O)C3)c2cc1Cl 10993078 CGYURNBCKVHARM-JTQLQIEISA-N 370.810 2.233 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 58309757 LALGUHGTKYVYHW-RHSMWYFYSA-N 361.442 2.377 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21)n1cccn1 58377870 NETOLLUJXMWORX-CRAIPNDOSA-N 354.454 2.439 0 40 FEAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 2329414 COFZOQSTDLCJTJ-QGZVFWFLSA-N 351.358 2.339 0 40 FEAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cn(C(F)F)nc1C 36614780 PUCNVPKNFXPIRR-UHFFFAOYSA-N 367.809 2.277 0 40 FEAB CCn1cc(NC(=O)[C@@H](C)n2nc(C(F)F)c(Cl)c2C)c(C(N)=O)n1 2778976 PWPDSMDHFQNQAV-SSDOTTSWSA-N 374.779 2.298 0 40 FEAB COC(=O)C1CCN(C(=O)CCCNC(=O)c2cc3ccccc3[nH]2)CC1 12390829 UQJIISUZYQTKHL-UHFFFAOYSA-N 371.437 2.090 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CCCCC3)C1=O 48273525 YPFLIEIUKCQUKI-QGZVFWFLSA-N 362.455 2.071 0 40 FEAB CCOc1cc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc(Cl)c1OC 3486798 ZDISOFKNSNPVMJ-SNAWJCMRSA-N 366.845 2.484 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)s1 62689281 CDIXHNLEKXAGSZ-INIZCTEOSA-N 364.492 2.481 0 40 FEAB Cc1cc(C)n(CC(=O)NCC(=O)Nc2ccccc2Br)n1 9364953 XJSNOQBOHSNJKV-UHFFFAOYSA-N 365.231 2.017 0 40 FEAB CCc1[nH]c(C(=O)OCN2C(=O)c3ccccc3C2=O)c(C)c1C(=O)OC 9428761 IMTHAABRZLMHQT-UHFFFAOYSA-N 370.361 2.083 0 40 FEAB CCNC(=O)COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OC 9549630 YDJQAIGLPFHSFI-GOSISDBHSA-N 355.394 2.064 0 40 FEAB COc1cc(C(=O)Nn2cn[nH]c2=S)cc(OC)c1Br 9530662 BNESTBHBZLSBCF-UHFFFAOYSA-N 359.205 2.104 0 40 FEAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(OC)CC1 9515878 RHHLBYMGENGRQF-UHFFFAOYSA-N 364.261 2.257 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@H](c3ccco3)N(C)C)CC2=O)cc1 9605012 DSRNCOZYGBUFHK-ZWKOTPCHSA-N 369.465 2.356 0 40 FEAB O=C(NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 6987291 DNNOAQFAVKFZHX-UHFFFAOYSA-N 371.481 2.058 0 40 FEAB O=C1/C(=C\Nc2nnc[nH]2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 7016498 FRPQDURGBAIILF-JYRVWZFOSA-N 366.768 2.493 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1F 7052161 HFSKRCDQEOWLLT-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 84733808 FAEIZMBHBGMZGZ-AWEZNQCLSA-N 372.469 2.304 0 40 FEAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1C(=O)c2ccccc2C1=O 7215780 AMBRSOLAIDGXCF-LRDDRELGSA-N 350.374 2.311 0 40 FEAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1 17056245 WWJRGTMCBZRFRI-UHFFFAOYSA-N 366.421 2.251 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)CCC2 8757262 JCVORFVSAHVNIY-UHFFFAOYSA-N 363.439 2.039 0 40 FEAB COc1ccc(CNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OC 72325220 YGVZLKYYFFENBB-UHFFFAOYSA-N 367.405 2.189 0 40 FEAB biogenic COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 9060976 XRHNAKUMQJTHNU-QWHCGFSZSA-N 360.888 2.061 0 40 FEAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cccc(Cl)c3)no2)cn1 96001762 MKFAKTQZBMQXAI-CQSZACIVSA-N 373.800 2.337 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 32633911 WYBYDJIUXQHKBL-UHFFFAOYSA-N 363.417 2.499 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)c(C)o1 408469524 PIPOQEKAWFKCBH-MRXNPFEDSA-N 353.422 2.306 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCOCC4)c3)C(=O)[C@@H]2C1 408686326 SDXVSMXYGWJAKU-IAGOWNOFSA-N 354.406 2.005 0 40 FEAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1 30756596 JLJFPWHULBQDNJ-HNNXBMFYSA-N 353.488 2.069 0 40 FEAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@H]3C2)c1 306128536 HDBBZHAFYIAGAP-IRXDYDNUSA-N 365.481 2.173 0 40 FEAB CN(C(=O)Nc1cnn(-c2ncccn2)c1)[C@H]1CCO[C@@H]1c1cccnc1 517251432 JGDVLLQXQJJBMQ-JKSUJKDBSA-N 365.397 2.051 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2OC)OCO3)C1=O 409107688 TXCVJGSXBXJIOF-ZGJMHTSCSA-N 365.363 2.022 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc2c1C 551218194 HRUYKBKMJVDHRO-OALUTQOASA-N 356.470 2.399 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218410602 WFMPCWCTXNIOTK-RBUKOAKNSA-N 358.507 2.401 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCCN3CCc3ccccc3)n2CC1 72372807 NVHBCYFCBLXNQF-LJQANCHMSA-N 367.497 2.452 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1Cl 71284101 WPBKAIVPKRLXPC-QWHCGFSZSA-N 354.790 2.220 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655775 MTSLBSUASCADPC-UHFFFAOYSA-N 370.359 2.230 0 40 FEAB C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccccc1 32954602 WPYGCRWMUMREJK-CLWVCHIJSA-N 372.421 2.121 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 32716653 BUSKVTKJJUTVPN-UHFFFAOYSA-N 350.415 2.064 0 40 FEAB COc1cccc(-n2cc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@@H](C)C3)nn2)c1 565757191 UDTMEGOVDTYJKC-ZRGWGRIASA-N 369.469 2.078 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 35877118 YHJBFALZYUQLJS-FUZBQXNDSA-N 369.465 2.170 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 41396470 AHKLUTQQSAHPFD-AWEZNQCLSA-N 356.344 2.169 0 40 FEAB COc1cccc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 222788761 MOTNPPQPLZGDBE-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 46317508 IBKDYXPCVYHISZ-BXUZGUMPSA-N 368.380 2.022 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)c1cc2ccccc2s1 1589091563 DFTDUZTYSWSJLA-WCQYABFASA-N 360.435 2.402 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)NC1CCCC1)C2 96238033 PLPBYVVFSXYQAE-HXUWFJFHSA-N 374.460 2.201 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCOCC1)c1ccccc12 96079350 JYWQVKOBZYSBMA-KRWDZBQOSA-N 371.481 2.048 0 40 FEAB Cc1noc(C)c1CN1CC[C@H](NC(=O)c2nn(C)c3ccccc23)C1 98211958 OFBVOHYOFZUKEA-AWEZNQCLSA-N 353.426 2.182 0 40 FEAB CCN1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 249680486 ALKFUBDKEXSQQR-ZRRCRCOKSA-N 354.450 2.211 0 40 FEAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1ccc(Cl)cc1)C2 247985304 KKTQQNMSAQMHTM-INIZCTEOSA-N 352.862 2.178 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257223927 DZONTKWSCCYWGL-QGZVFWFLSA-N 351.472 2.127 0 40 FEAB CN1[C@@H]2CN(C(=O)COc3ncnc4ccccc34)[C@@H]3CCC[C@H]1[C@]3(C)C2 257207758 BJCIYIFBEOKBQO-HEFCWWFNSA-N 366.465 2.482 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257332221 XWHHRGIPGWCESW-HNNXBMFYSA-N 355.398 2.336 0 40 FEAB CN(C(=O)c1cccc(Cc2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 257304564 SMFXFAPOTCDUAI-INIZCTEOSA-N 362.426 2.071 0 40 FEAB O=C(CN1CCCCC1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257290616 QDPWJLFRTWDYQD-HNNXBMFYSA-N 356.430 2.066 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cn(C)cn2)CC1 257207291 BHCSBTJWWAILHT-GPMSIDNRSA-N 369.469 2.229 0 40 FEAB Cn1ncc(C(F)(F)F)c1CNCc1cccc(NS(C)(=O)=O)c1 657294791 FFSWSIIJJFBYGN-UHFFFAOYSA-N 362.377 2.100 0 40 FEAB CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccccc2Br)C1 659786743 ZXPKJLPOHLYVIB-SMDDNHRTSA-N 355.232 2.175 0 40 FEAB CN(C(=O)CCCC(C)(C)C)[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1775996948 OGOFFBBKTDDFLC-HNNXBMFYSA-N 367.534 2.424 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)cc1 575404191 MQUUDDOTHLLGKI-INIZCTEOSA-N 374.462 2.391 0 40 FEAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2Cl)c2cccc(O)c2)C1 575420716 JJZOASRDNAJKDI-IRXDYDNUSA-N 367.854 2.210 0 40 FEAB C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096276 FDGKUZCOCPAAAE-CYBMUJFWSA-N 365.437 2.294 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2 585107031 ORVPLAXEIWQWSX-FQEVSTJZSA-N 370.428 2.268 0 40 FEAB CC(C)[C@@H](CCO)NC(=O)CCNC(=O)c1ccc(Br)cc1 79096688 JSIDMEIQZQLSEV-CQSZACIVSA-N 371.275 2.092 0 40 FEAB O=C(CCn1cccn1)N1CCC(c2noc(-c3cccnc3)n2)CC1 12187008 QIZMGPTWLSZHFS-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 12550135 VXZPTVRWGBIVEC-UHFFFAOYSA-N 357.385 2.035 0 40 FEAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc3c(c1)CCO3)C2 12666406 LLKOANZMVCBEMP-UHFFFAOYSA-N 360.417 2.325 0 40 FEAB COc1cc(C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)ccn1 19021005 BMGUXROSMQPEQT-MRXNPFEDSA-N 374.466 2.276 0 40 FEAB CC(=O)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365890 KPSJPFNMTNAOEQ-ZWKOTPCHSA-N 352.862 2.003 0 40 FEAB C[C@@H](Cc1ccccn1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 19457106 RZHIODHECWGSMC-NSHDSACASA-N 368.842 2.416 0 40 FEAB CN(C[C@H]1CCCN(Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 19461282 VJPLICXXVQSGRV-MOPGFXCFSA-N 350.528 2.408 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 19521185 VNKGZGOWXOXGAS-GFCCVEGCSA-N 352.394 2.412 0 40 FEAB CNc1cc(CNC(=O)c2cc(C3CC3)on2)nc(-c2ccncc2)n1 19592333 RHAMVQFMXYSHBA-UHFFFAOYSA-N 350.382 2.376 0 40 FEAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 8105114 OJWPSNQPNNRGAX-WQLSENKSSA-N 354.815 2.139 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1C[C@@H](C)O[C@H](C)C1 11613527 DXYSJVJARQLNGW-JHJVBQTASA-N 351.472 2.039 0 40 FEAB CN1CCN([C@H](CC(=O)Nc2c(Cl)cccc2Cl)C(=O)O)CC1 22585020 FGWOKPSFDVEPTO-GFCCVEGCSA-N 360.241 2.023 0 40 FEAB CCc1ncnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)c1F 1888843501 FWADBYMUOVHOPV-UHFFFAOYSA-N 372.448 2.189 0 40 FEAB O=C(c1cccnc1O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888866906 WOFCFCXWVWSUFJ-XIKOKIGWSA-N 358.373 2.038 0 40 FEAB Cc1c(Cl)ccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc12 1888919450 XCJGRJZNEVNZTO-UHFFFAOYSA-N 350.831 2.437 0 40 FEAB Cn1nccc1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)o1 1888926432 HPLKJAHMATWRAW-UHFFFAOYSA-N 359.407 2.094 0 40 FEAB Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2C)n(C)n1 227116444 ICQUXLMMTITJKA-UHFFFAOYSA-N 358.261 2.278 0 40 FEAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccoc1 252482600 DKBCPZJSMVKQLJ-UHFFFAOYSA-N 356.367 2.080 0 40 FEAB COC1(CC(=O)N2CC[C@]3(CCc4nc(C)cc(=O)n4CC3)C2)CCC1 1614937880 SKOSYAHHSJXQOZ-IBGZPJMESA-N 359.470 2.066 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1ccsc1 8863741 OIUOQVUACKWURM-HNNXBMFYSA-N 365.886 2.437 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CC1=CCCCC1)C2 2055812532 RIHZHSSDPORPJP-NRFANRHFSA-N 368.481 2.222 0 40 FEAB Cc1noc(-c2ccn3c(CNC(=O)CSC4CCCC4)nnc3c2)n1 225743921 DOPMFXOWUHNDOI-UHFFFAOYSA-N 372.454 2.380 0 40 FEAB CCSc1ncc2c(=O)n(CC(=O)NCCC3=CCCCC3)cnc2n1 20190977 KTKIDIXPRWCZTA-UHFFFAOYSA-N 373.482 2.305 0 40 FEAB O=C(CC1CCCCC1)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 20727711 KRRZUFPGLLNYMH-KRWDZBQOSA-N 371.481 2.242 0 40 FEAB CC[C@H](CO)NS(=O)(=O)c1cc(C)c(Br)cc1Cl 41096239 DNERKHCJTMVUDO-MRVPVSSYSA-N 356.669 2.460 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3=O)cc2)s1 32769066 HATBTAAPVCIVQR-UHFFFAOYSA-N 371.462 2.230 0 40 FEAB CCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 794511 QSPCUCBHPKHCLZ-UHFFFAOYSA-N 357.435 2.207 0 40 FEAB CCN1C[C@H](CN(C)c2nn3c(=O)cc(C)nc3s2)Oc2ccccc21 24840431 RQCUGSKEBMXWCX-ZDUSSCGKSA-N 371.466 2.183 0 40 FEAB NC1(CCNC(=O)c2ccccc2)CCN(C(=O)c2ccccc2)CC1 1857400 CQQJPLXACFHFNJ-UHFFFAOYSA-N 351.450 2.440 0 40 FEAB CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 3009221 YWWZBCHJYNFQHG-UHFFFAOYSA-N 351.403 2.424 0 40 FEAB O=C(O)[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 62133658 DATRMNDWEKATGM-SNVBAGLBSA-N 352.188 2.406 0 40 FEAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(OC)c1)CC(=O)N2 4944393 FVDSFDGBHHQQGM-JTQLQIEISA-N 361.423 2.460 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CCOc2ccccc2)cc1OC 7215171 NDHIONIMNLZJGJ-UHFFFAOYSA-N 351.424 2.403 0 40 FEAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 7506917 VUBVYXLRYFATKA-VMPITWQZSA-N 367.357 2.465 0 40 FEAB COc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccccc1 8433590 ASUZQEBHJATODQ-UHFFFAOYSA-N 370.405 2.274 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560417 NAJNVXWXDRXUGY-ZDUSSCGKSA-N 354.472 2.398 0 40 FEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1nnnn1-c1ccccc1)CC3 26725242 YLFQYDOKKBCINV-UHFFFAOYSA-N 374.404 2.493 0 40 FEAB CCOC(=O)c1c(C)c2c(O)nnc(SCC(=O)OC(C)C)n2c1C 58155481 ZNQKLTUAOKFLER-UHFFFAOYSA-N 367.427 2.272 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 58265908 PBELWJWJXQSHET-UHFFFAOYSA-N 363.421 2.091 0 40 FEAB O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 58227608 VVIGZRNMIZEYIH-UHFFFAOYSA-N 350.465 2.048 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 58343911 SGINMHWMCQHBPK-CABCVRRESA-N 374.485 2.306 0 40 FEAB Cc1cc(CNC(=O)[C@H]2CCC[C@H](C(=O)NCc3cc(C)on3)C2)no1 58328821 JEAJBGQAQNXZRU-KBPBESRZSA-N 360.414 2.018 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CCN(Cc1cccnc1)C2=O 108526510 IKQNUJGJYSGJMS-FQEVSTJZSA-N 353.470 2.220 0 40 FEAB CCOC(=O)c1c(CN2CCN(C(C)=O)CC2)nc2ccccc2c1C 36722500 LAHXLYBRNNFLJL-UHFFFAOYSA-N 355.438 2.384 0 40 FEAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 10296135 LXZCHZGWRIARBY-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB Cc1cccc2sc(NC(=O)CCn3cnc4c(cnn4C)c3=O)nc12 48260247 UJKKTMVFJOPCDY-UHFFFAOYSA-N 368.422 2.077 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(Cl)cc1 3420146 XANVYIRCVMOKOL-JTQLQIEISA-N 356.806 2.275 0 40 FEAB COc1cccc(CN(C)C(=O)NCc2cccnc2N2CCOCC2)c1 12983835 YPYFWNNXFRXAJH-UHFFFAOYSA-N 370.453 2.268 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)[C@@H]1C 12983591 NMNHCVRDQOYUHX-UMVBOHGHSA-N 363.483 2.008 0 40 FEAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCOCC1 3564006 LGKJRPMHRIXXNL-UHFFFAOYSA-N 371.365 2.289 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 13195815 HRBNNPYTUUXJCT-AWEZNQCLSA-N 365.407 2.198 0 40 FEAB O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1Cc1ccc(F)cc1 4004664 CRYXAAVTCSNUTR-UHFFFAOYSA-N 369.352 2.239 0 40 FEAB aggregator CN(C)[C@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 95408054 QECIBAMOIHSKIB-GJZGRUSLSA-N 367.440 2.464 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12 65026736 RZOSQVXIMGAEKP-ZDUSSCGKSA-N 366.377 2.034 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc2c(c1)OCCO2 4469401 BAVKQNYUCVHDMG-UHFFFAOYSA-N 373.409 2.041 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC=C(c2ccccc2)CC1 14165668 YDYJBDKRWRXUQK-UHFFFAOYSA-N 362.437 2.182 0 40 FEAB CCOCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 4510361 QLMVOIALZRDJPG-UHFFFAOYSA-N 353.400 2.353 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 14254175 QHDUMHRZWLAVJF-LLVKDONJSA-N 365.407 2.472 0 40 FEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CCOc1ccccc1F 14246758 SDNUAPPESDNNRS-LBPRGKRZSA-N 372.400 2.333 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5517324 CGXGXUFMSOLDRU-AWEZNQCLSA-N 369.343 2.192 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 5622288 JMVFBUSJITZYMN-UHFFFAOYSA-N 362.403 2.375 0 40 FEAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3c(F)cccc3Cl)ccc21 4938112 QNHSAOPPGFNSME-UHFFFAOYSA-N 368.817 2.477 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1 6949152 RQCYNZVWYKZCHH-HNNXBMFYSA-N 363.439 2.392 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2C2CC2)n1 9595762 KGIVVMVTNSILKG-UHFFFAOYSA-N 355.431 2.120 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460410 RVEDBEVQJZTJMS-KDOFPFPSSA-N 374.462 2.399 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)c1 7805604 PATAZHVYWFWHRW-UHFFFAOYSA-N 352.500 2.491 0 40 FEAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnnn1C1CC1 8389066 NQSYUSLWOYBENT-UHFFFAOYSA-N 360.468 2.368 0 40 FEAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 20898337 WMXRCOSMNXGYOI-UHFFFAOYSA-N 364.511 2.487 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 17521746 GBAWRLQEFGGCFV-AWEZNQCLSA-N 364.402 2.232 0 40 FEAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1)c1ccco1 67896843 CQTFDYHHENEANY-VQIMIIECSA-N 370.405 2.203 0 40 FEAB biogenic,in-vitro CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ncccn3n2)c1C 8980893 DOVNHAQJLYPCNY-UHFFFAOYSA-N 359.411 2.221 0 40 FEAB CCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 409412577 XVTJOJUFYUEBPC-UHFFFAOYSA-N 373.478 2.265 0 40 FEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 23316090 ADWCHJORTKKHIX-SFHVURJKSA-N 367.449 2.188 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@H](Oc2cnsn2)C1 675008040 QWKMNJANVVGMSF-AWEZNQCLSA-N 365.480 2.259 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306135546 OUOUWZYCCPZNEV-CABCVRRESA-N 369.444 2.004 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)n2ncnc2n1 35315279 BCUZUDHOPYGLMS-KRWDZBQOSA-N 364.453 2.008 0 40 FEAB O=c1c(Br)c(NCCc2ccccn2)cnn1-c1ccccn1 558888074 VDBUUKXONIYORM-UHFFFAOYSA-N 372.226 2.440 0 40 FEAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3F)O2)no1 77262754 KJZXYZWNDDCXFM-ZYSHUDEJSA-N 364.417 2.201 0 40 FEAB biogenic,in-vitro COc1cccc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)c1 72374038 SVTQJMBHWFJKPF-KRWDZBQOSA-N 369.469 2.028 0 40 FEAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCCC2)c1Cl 35380716 LFOOWEIEFQWRTR-UHFFFAOYSA-N 352.605 2.403 0 40 FEAB COc1ccc2nnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)n2n1 71286361 SOTKKYBJDXBRRI-UHFFFAOYSA-N 361.789 2.366 0 40 FEAB CN(C)CC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2cccc(F)c2)C1 72346181 FUSKHGQHPXOCAZ-CQSZACIVSA-N 357.433 2.133 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NC3CC3)c2)cc1 224281558 LKIAJABXQZAZSX-UHFFFAOYSA-N 360.435 2.413 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccc(Cl)c1 224203892 XVZCBQXOJQWONK-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB CCCN(C(=O)c1ccc(O)nn1)C1CCN(c2cc(C)nc(C)n2)CC1 332503209 HEOCDBOOPBMINR-UHFFFAOYSA-N 370.457 2.110 0 40 FEAB O=C(N1CCOCC1)N1CCc2ncnc(-c3cccc(F)c3)c2CC1 96187665 SMTJLIIGCJXQRS-UHFFFAOYSA-N 356.401 2.136 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96227477 DZKWCUBOYHKPBP-FXAWDEMLSA-N 353.397 2.389 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1n[nH]c2cccc(F)c12 95479541 FNLDBTCLYNEAKC-UHFFFAOYSA-N 355.373 2.166 0 40 FEAB CN(C)c1ncc(-c2cc(C(=O)N3CCC[C@H](O)C3)n(CC3CC3)c2)cn1 96266414 JCQCQBVYFNNRAK-KRWDZBQOSA-N 369.469 2.018 0 40 FEAB O=C(Cc1ccccn1)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 96183555 YPVZESIQMKKLCA-PKOBYXMFSA-N 355.413 2.127 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 25106743 YEGNXXVWGXINLJ-UKRRQHHQSA-N 350.426 2.447 0 40 FEAB biogenic Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc(C)on2)C3)n1 247883765 SDYHMJIPZMIMIY-INIZCTEOSA-N 357.410 2.277 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)N(C)Cc1cccs1)OCC(=O)N2 252478303 AJANBQPWWHAWTF-UHFFFAOYSA-N 352.437 2.208 0 40 FEAB Cc1ccccc1[C@@H]1CN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CCO1 654638758 IPHWNMWHNJLWLL-CVEARBPZSA-N 371.441 2.248 0 40 FEAB COCC(=O)N1CCc2cc(NCc3ccccc3-n3cncn3)ccc21 681699315 VUJQPZLSSUEEEV-UHFFFAOYSA-N 363.421 2.415 0 40 FEAB Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cn1 96098431 UEXOSSIOOJIUJC-UHFFFAOYSA-N 372.406 2.017 0 40 FEAB COc1ccc(CN2CCN(c3nccc4nccnc34)CC2)cc1F 621246663 MXGGKLRBSRFBFU-UHFFFAOYSA-N 353.401 2.495 0 40 FEAB CC[C@@H](C)N(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 575423599 OVOKLIFNJJSZOY-UKRRQHHQSA-N 369.483 2.174 0 40 FEAB Cc1c(C(=O)N2Cc3ccnn3[C@H](C(=O)NC3CC3)C2)oc2ccccc12 575402472 ATESFYJXMVPWPN-INIZCTEOSA-N 364.405 2.413 0 40 FEAB CS(=O)(=O)c1nsc(NC(=O)c2cccc(C(F)(F)F)c2)n1 72424492 GLGKQIYKRTYCTF-UHFFFAOYSA-N 351.331 2.213 0 40 FEAB Cc1ccccc1C1(CNC(=O)NCCc2cnn(C)c2)CCOCC1 56948454 XSIXBXYHHDQSKX-UHFFFAOYSA-N 356.470 2.319 0 40 FEAB CS[C@H](CO)[C@H](C)NC(=O)c1cccc(I)c1 95426669 SKXNEVSGNXOHIE-GZMMTYOYSA-N 365.236 2.133 0 40 FEAB CCn1ccc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)n1 649677718 CYASBJDBUDIOOW-UHFFFAOYSA-N 366.425 2.297 0 40 FEAB Clc1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1 675719766 FTTLLFWUBGEFGY-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)CN3C)n2)cc1 12529923 FWMINUACPGWVJC-ZFWWWQNUSA-N 359.430 2.198 0 40 FEAB biogenic,in-vitro Cc1nccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)n1 19287536 WQXMKMOIDFIKAG-MRXNPFEDSA-N 362.437 2.310 0 40 FEAB Cc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19287717 KGEIYZVEPHYQIF-KSSFIOAISA-N 368.485 2.017 0 40 FEAB CC1CCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19496854 DKYNVAKOQJMIFI-QGZVFWFLSA-N 372.513 2.018 0 40 FEAB CCn1cc(C(=O)N2CCC(c3nnc(-c4ccccn4)o3)CC2)cn1 19524862 QTADGZJZWRCZID-UHFFFAOYSA-N 352.398 2.368 0 40 FEAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)c1 19819423 QSFICXGTGYEOIO-UHFFFAOYSA-N 359.451 2.327 0 40 FEAB COC(=O)[C@H]1CCc2nnc(-c3cc(Br)cn3C)n2CC1 601045537 YCHXYLTYPAJHMP-VIFPVBQESA-N 353.220 2.172 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 4308897 UNYPAELSCJNCTH-XOBRGWDASA-N 355.438 2.072 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)nc2ccccc21 1888856971 DHWDPXOPBRAIDD-RVKKMQEKSA-N 354.454 2.037 0 40 FEAB O=C1[C@H]2CN(c3ncnc4sccc34)C[C@@H]2C(=O)N1c1ccccc1 1888890319 XOWUCGFVTGCRFU-KBPBESRZSA-N 350.403 2.317 0 40 FEAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 1848355514 ITSPAUUCKBEQSS-KRWDZBQOSA-N 355.486 2.416 0 40 FEAB CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)N1CCOCC1 26062222 CJMPJABXOYLFBO-WBVHZDCISA-N 352.450 2.456 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)CCN(c2cccnc2)C3=O)CCC1 1565551228 NWKODUOUDWNBEA-UHFFFAOYSA-N 357.454 2.386 0 40 FEAB CCO[C@H](NC(=O)Cn1nnc2ccccc21)C(Cl)(Cl)Cl 1274094 XLVIJDCKSNKEMG-NSHDSACASA-N 351.621 2.280 0 40 FEAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(F)cc1F 4941315 LRTKAWIQLHDMHU-LBPRGKRZSA-N 354.353 2.095 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940811 HHKIKUBCWWOHTL-GFCCVEGCSA-N 374.418 2.175 0 40 FEAB O=c1c(=O)n2c(nn1Cc1cccc(Cl)c1)N(c1ccc(F)cc1)CC2 8849069 DQHAIXKPYKESGE-UHFFFAOYSA-N 372.787 2.398 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccccc2OC)c1C 17287828 BHYAPWZGSCXYST-UHFFFAOYSA-N 365.455 2.228 0 40 FEAB COc1ccc(CCC(=O)N2C[C@@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)cc1 1775975373 FTGBNWVLJFILTQ-HDICACEKSA-N 366.465 2.321 0 40 FEAB Cc1cc(OC2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc(=O)o1 206973453 OQXDGMSIEVMJMI-UHFFFAOYSA-N 367.405 2.368 0 40 FEAB CC(=O)c1ccc(NC(=O)COc2cc(=O)n3cccc(C)c3n2)cc1 35597034 CFABJZPIOJWAIV-UHFFFAOYSA-N 351.362 2.223 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)s1 19216837 XENCVVGHVMLCSP-CYBMUJFWSA-N 355.467 2.390 0 40 FEAB Cc1ccc(C)n1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 40150418 BZRSIHKRSGFESA-HNNXBMFYSA-N 369.421 2.412 0 40 FEAB CC(=O)N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 20755673 UYSXNCFZCCQNEU-VGUOSERISA-N 358.482 2.385 0 40 FEAB biogenic COC(=O)c1cn(CC(=O)O[C@H](C(N)=O)c2ccccc2)c2ccccc12 21493233 NUNWZRSZJMHWNT-SFHVURJKSA-N 366.373 2.198 0 40 FEAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102427837 GETZHWXJKPIZOU-HOTGVXAUSA-N 356.422 2.150 0 40 FEAB Cc1cc(Cl)ccc1OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 22961238 RPKNZOSNUDDOCE-UHFFFAOYSA-N 372.816 2.303 0 40 FEAB O=C(NCCCC(=O)N1CCN(CC2CC2)CC1)c1ccc(Cl)cc1 55668992 GOQKLAKMVCWXEU-UHFFFAOYSA-N 363.889 2.404 0 40 FEAB C[C@@H](C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)S(C)(=O)=O 55647883 AGJMYBFCTCMMBE-KGLIPLIRSA-N 362.451 2.271 0 40 FEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccnc(-n2cncn2)c1 55982703 GBNUSSXJAIPDLE-CYBMUJFWSA-N 364.409 2.443 0 40 FEAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)c1 3620987 XZEBAWDDXBQABY-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB COc1ccc(CCN[C@H](CC(=O)Nc2ccccc2)C(=O)O)cc1OC 4279939 UUCAUMNFBSIZQF-MRXNPFEDSA-N 372.421 2.318 0 40 FEAB C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)c1ccccc1 4321020 ZEDRFKZDHHSZGL-YOEHRIQHSA-N 369.421 2.034 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1 6778869 ATNOHOMTEIFNHM-UHFFFAOYSA-N 362.459 2.387 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 57621628 HWYIHLOVYWELHP-UHFFFAOYSA-N 373.416 2.391 0 40 FEAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)NC1CCCCC1 8475737 SMXXYWBWMUAAQP-UHFFFAOYSA-N 354.472 2.444 0 40 FEAB COCCN(C(C)=O)c1nc(C)c(C(=O)NC2Cc3ccccc3C2)s1 44918335 SCDBTZGLDJCHEG-UHFFFAOYSA-N 373.478 2.348 0 40 FEAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(O)=NC1=O 59192897 AEMKVHDKSZHGIU-KBPBESRZSA-N 362.382 2.126 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCC[C@H](C)C3)CC2=O)cc1 28831869 WDWIXGHKOJDNEA-HOTGVXAUSA-N 358.438 2.150 0 40 FEAB CC1CCC(N(C)C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 25626628 ADNPDNQCDWRWPV-UHFFFAOYSA-N 363.483 2.104 0 40 FEAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccccc2F)CC1 37195096 PZVABMVUAJBPPB-KRWDZBQOSA-N 356.401 2.202 0 40 FEAB C[C@H]1CCCCN1CCCNC(=O)CCc1nc(-c2cccnc2)no1 46786373 BMPGVWPCSKAUKH-HNNXBMFYSA-N 357.458 2.445 0 40 FEAB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 12454232 WXBARTHRNXAKHK-OAHLLOKOSA-N 366.377 2.115 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 3594794 XMPNSDYEOGYUPH-HXUWFJFHSA-N 365.389 2.027 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1 20768444 MTAIMIGWYAMEJV-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 6173305 FTCFFJKQGVSZHO-UHFFFAOYSA-N 372.450 2.268 0 40 FEAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 14078949 NZPHKEWPTNYIMY-GOSISDBHSA-N 353.422 2.269 0 40 FEAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc2c(c1)OCCO2 9421602 BSFUHZKDAPWYCX-VIFPVBQESA-N 357.395 2.243 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCCCCCC1 14163481 HKKGEWYCJDUOHI-FQEVSTJZSA-N 371.437 2.009 0 40 FEAB O=C(NCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccco1 14185997 YSYABQCIDKKJNK-HNNXBMFYSA-N 369.421 2.277 0 40 FEAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)Nc4nnn[nH]4)c(C)c32)c1C 9477239 KRJQANWVVQNRLZ-UHFFFAOYSA-N 367.365 2.467 0 40 FEAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NCCC1=CCCCC1 6879075 HYQAYEWRSNUVJW-UHFFFAOYSA-N 372.404 2.196 0 40 FEAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(O)CC1 71798507 VHDLZSJFPXCKMQ-CARYKQCGSA-N 362.514 2.327 0 40 FEAB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4987269 WCYJMJPDFSJWLV-GOEBONIOSA-N 358.373 2.428 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 16016911 QYXMHHAPFXOMAZ-UHFFFAOYSA-N 370.361 2.191 0 40 FEAB CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1 7785361 DZTRXZUPPGDOSA-UHFFFAOYSA-N 361.467 2.007 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccoc1C 7848971 WXRUJFBIPXHCFM-UHFFFAOYSA-N 353.352 2.162 0 40 FEAB Cc1ccc([C@H](NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2)cc1 95997655 XUTNZWXHRWIRFF-CDHQVMDDSA-N 366.461 2.476 0 40 FEAB COc1ccccc1OCCNC(=O)NCCOc1ccccc1OC 9606897 JOVARFLCBRTCKC-UHFFFAOYSA-N 360.410 2.461 0 40 FEAB CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCc2ccccc21 8540944 LPHUWAIDXKTJAC-MRXNPFEDSA-N 355.438 2.387 0 40 FEAB CCO[C@H]1C[C@H](OC(=O)Cn2nnc3ccccc3c2=O)C12CCCCC2 84800870 IABWEEQOVBBPKQ-IRXDYDNUSA-N 371.437 2.463 0 40 FEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCC(C)C)cc1 408596804 SGVRMTLKTXXMKA-CQSZACIVSA-N 356.488 2.160 0 40 FEAB O=C(NCc1ccccc1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022672 MKNZDUVBRSSHFF-UHFFFAOYSA-N 362.437 2.195 0 40 FEAB CC(C)C[C@H](NS(=O)(=O)c1c(C(=O)O)cnn1C)c1cccs1 530150272 QDJHQHKUNVXCQB-NSHDSACASA-N 357.457 2.246 0 40 FEAB O=C(NCCOc1ccccc1)NCC1CCN(c2ncccn2)CC1 75170354 RPWREHYRZWXWGA-UHFFFAOYSA-N 355.442 2.071 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1Cl 71980118 TUVWCHHRRJIFQU-CQSZACIVSA-N 352.818 2.078 0 40 FEAB CCN1CCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C[C@@H]1c1ncc[nH]1 569105270 FBFIODFUUNPBIQ-GOSISDBHSA-N 364.453 2.423 0 40 FEAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cn2ccc3ccccc32)n[nH]1 225551761 MESHPBRXDDSDJB-QGZVFWFLSA-N 351.410 2.217 0 40 FEAB Cc1nn2c(nnc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccccc1 40390999 DHOYHSKXQVQCQA-UHFFFAOYSA-N 363.377 2.279 0 40 FEAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 226002146 ZXQOIOXFOZXVNB-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB COc1ccc(CN2C[C@@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)cc1 96056333 OOJLYLSWEXOAKH-QWFCFKBJSA-N 369.465 2.196 0 40 FEAB COc1ccc(N2CCN(CCc3nc(O)c4ccccc4n3)CC2)nc1 577974973 UMJJZGFWHUDPJL-UHFFFAOYSA-N 365.437 2.104 0 40 FEAB CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 580638696 ZWTKTQVWLPCZRO-GFCCVEGCSA-N 356.455 2.636 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 96227455 JQJPFNIZFXLFIT-YLJYHZDGSA-N 356.470 2.404 0 40 FEAB COCC(=O)NCC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 247841184 NZALBRJQTBNULU-MRXNPFEDSA-N 367.453 2.074 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 247995564 BDLCGDOLIAWKPK-MRXNPFEDSA-N 374.462 2.249 0 40 FEAB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 245230544 UGMVWRUROSQBMX-XNJHUCFUSA-N 368.433 2.449 0 40 FEAB O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1noc2c1CCCC2 257253038 JXJDIMDETJBFLS-QGPMSJSTSA-N 357.410 2.039 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2ccc(C)nc2O)ccn1 257342064 ZMXVLVDEXFEULZ-QGZVFWFLSA-N 354.410 2.104 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)NC[C@H]2CCC3(CCCC3)O2)C1 654354105 DCBYQQWDWLZTMI-SJORKVTESA-N 353.507 2.134 0 40 FEAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)oc1C 657145348 IQFYBJUWZDNLJS-DZGCQCFKSA-N 353.444 2.169 0 40 FEAB O=C(NCCC1CS(=O)(=O)C1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 623922962 OYHVEBANYYUGOE-AWEZNQCLSA-N 372.437 2.289 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390826977 DEXODGZSSPMTKN-CQSZACIVSA-N 369.418 2.401 0 40 FEAB NC(=O)C1CCN(c2ccccc2NC(=O)c2cccc(C(=O)O)c2)CC1 575987757 HPZGFLYKRQOUMO-UHFFFAOYSA-N 367.405 2.339 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2ccncc2)no1 585094573 CBSJVOMDQQQQCA-KRWDZBQOSA-N 353.426 2.255 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)C1CC(F)C1 585096501 QYDRQLCBPRFAGB-PNESKVBLSA-N 360.389 2.057 0 40 FEAB Cc1cc(C)cc(OC[C@@]2(O)CN(Cc3ccc(O)cc3)CC[C@@H]2O)c1 585287301 MHNPKZKGAINFAQ-SFTDATJTSA-N 357.450 2.386 0 40 FEAB C[C@@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)C1CC=CC1 585097297 JYAGMFIWCXTONZ-GFCCVEGCSA-N 357.389 2.261 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 30211197 ZIJQSLYCKWQSCJ-UHFFFAOYSA-N 361.419 2.149 0 40 FEAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3nonc3C)CC2)on1 12118321 OCPJIAOOZRPVDQ-UHFFFAOYSA-N 354.370 2.151 0 40 FEAB NC(=O)C1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 12187286 XRRPGFOFDXPIQX-UHFFFAOYSA-N 350.369 2.088 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C(C)=O)c1C 12600128 AYSFTXBXGCGCCK-UHFFFAOYSA-N 372.377 2.416 0 40 FEAB COc1cc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc(OC)c1 12905543 SCSZFAIJRRQFQL-UHFFFAOYSA-N 360.410 2.352 0 40 FEAB O=C1/C(=C/c2cc3c(cc2Br)OCO3)NC(=S)N1C1CC1 15011349 ZVXHKVKAIRECNU-KMKOMSMNSA-N 367.224 2.398 0 40 FEAB O=C(CN1CCCC1)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 19336175 LXXHDCWGSRODFJ-JKSUJKDBSA-N 360.458 2.483 0 40 FEAB O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3cccnc3)CC2)no1 19338957 WGUHDWQDRXRTLK-QGZVFWFLSA-N 370.453 2.358 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)cc2C[C@@H]1C 19497820 UIXLAXDBKOCIHC-KBPBESRZSA-N 373.478 2.289 0 40 FEAB CCCc1nnc(S/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)O)[nH]1 7342296 CUPVABIHWYVYRL-WQLSENKSSA-N 363.395 2.438 0 40 FEAB Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)no1 23127513 ABLFUAMZYKNBDB-UHFFFAOYSA-N 362.455 2.011 0 40 FEAB CC(C)(C)NC(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888875632 YVXSQDLJVHMILV-UHFFFAOYSA-N 355.442 2.479 0 40 FEAB Fc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c(F)c1 1889184610 XXGNGQDTICIQFP-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100080408 VSUQKKOSJVKIKA-VGWMRTNUSA-N 359.378 2.236 0 40 FEAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCOCC1 2720436 ZEYDNKFDURMTLT-UHFFFAOYSA-N 369.830 2.253 0 40 FEAB CCN(CC)C(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583895 IFZUQOCNRMGQMK-UHFFFAOYSA-N 370.449 2.445 0 40 FEAB COc1ccccc1CN1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772976 FNQPPDGLBDDIOO-UHFFFAOYSA-N 368.481 2.409 0 40 FEAB COCCn1/c(=N/C(=O)c2cc(C)n(C)n2)sc2cc(F)cc(F)c21 101025455 AMTPGNRWSFKLFV-MNDPQUGUSA-N 366.393 2.410 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2COc3ccccc3O2)c1 810371 OJKLVKACUJUKNJ-MRXNPFEDSA-N 371.345 2.038 0 40 FEAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 101407737 SVODXASRTNDFIO-WCIQWLHISA-N 373.412 2.463 0 40 FEAB C[C@@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)N1CCC[C@@H](C)C1 40120440 WRBCFWLPJJFROZ-CABCVRRESA-N 359.474 2.458 0 40 FEAB COc1ccccc1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 40160024 BWIRSJMLQZSPQP-SFHVURJKSA-N 373.474 2.454 0 40 FEAB O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31604854 MOUIYIIDFMHNFZ-HNNXBMFYSA-N 365.437 2.064 0 40 FEAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 101713945 JPJSCHDWDCVFQB-CQSZACIVSA-N 365.368 2.344 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nncs1 21215228 CABNTCYNCWXRDU-UHFFFAOYSA-N 371.348 2.183 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1C 32716946 WNOADWCFOSSCCX-MRXNPFEDSA-N 374.418 2.191 0 40 FEAB O=C1CCCC[C@@H]1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 32776935 JRODCBOMXAEVIV-OCCSQVGLSA-N 371.480 2.204 0 40 FEAB Cc1cccc(OCCCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 32986165 VJYLIJCWZZJGGY-GOSISDBHSA-N 354.406 2.434 0 40 FEAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 32901009 CGMWFVFGOSLIFZ-GFCCVEGCSA-N 354.815 2.220 0 40 FEAB CC[C@@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 22877749 WOPGOGKEHOBTBB-AWEZNQCLSA-N 372.446 2.141 0 40 FEAB O=C1CN(C(=O)CSc2nnc(NC3CC3)s2)c2ccccc2N1 7577495 IUVPEXXXJOCNID-UHFFFAOYSA-N 361.452 2.190 0 40 FEAB O=C1CS[C@@H](c2ccc(F)cc2)N1NS(=O)(=O)c1ccc(F)cc1 1084160 QOADQBBGEJQLKB-HNNXBMFYSA-N 370.402 2.432 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944344 AJYPYCJROMWOPJ-SNVBAGLBSA-N 361.423 2.373 0 40 FEAB Cc1sc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCCC1 6679709 UNBGBPKMHIXGLB-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 6817987 ROADQKSVYADXFA-SECBINFHSA-N 352.441 2.027 0 40 FEAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN(C)C)cc1 6878649 HFUCEBNHQRHOKX-JXAWBTAJSA-N 371.437 2.127 0 40 FEAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 6891022 GPHPUKASZPMXNW-SFHVURJKSA-N 360.479 2.411 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 7214893 FHEDJDGQBXTZLZ-UHFFFAOYSA-N 368.405 2.292 0 40 FEAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 8297984 FNUMJEPNCUJEEA-JQHSSLGASA-N 371.460 2.319 0 40 FEAB biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2C(=O)CC3(CCCC3)C2=O)cc1 8328141 YKYNQROWJAXOLU-GFCCVEGCSA-N 357.410 2.291 0 40 FEAB CCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8315788 KARWWJSEAKBWKC-UHFFFAOYSA-N 368.499 2.408 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F 32776020 WMJSLGDYOJUFMC-NXEZZACHSA-N 366.320 2.247 0 40 FEAB CCC(CC)CN(CC(=O)OC)CN1C(=O)NC2(CCCCCC2)C1=O 32916183 LBANNBLVDZGZOA-UHFFFAOYSA-N 367.490 2.500 0 40 FEAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccnc(OCCN(C)C)c1 89505592 OFVJXLCARDJEJB-UHFFFAOYSA-N 367.400 2.412 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 54670820 OHEWRGOAIJXQLH-DOTOQJQBSA-N 358.438 2.210 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2nncn2C)c1 22556606 QWZMHUMZKIHCSI-GHMZBOCLSA-N 350.444 2.190 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F 57505081 IOSFWDIRPKNICP-SNVBAGLBSA-N 351.353 2.007 0 40 FEAB Cc1cccc(N2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1C 23641570 OEFRTKNNMGXXJR-FQEVSTJZSA-N 356.470 2.103 0 40 FEAB CC(C)CCN1CC(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]21 63387391 CJYWTETVWSXBGI-HOTGVXAUSA-N 370.902 2.200 0 40 FEAB O=C(Cc1ccccc1)NCCC(=O)N1CCN(Cc2ccsc2)CC1 25397551 DJQFKGFCJUWFIL-UHFFFAOYSA-N 371.506 2.141 0 40 FEAB c1nc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2nc[nH]c2n1 58159698 XXCUFKSDINIZHN-UHFFFAOYSA-N 353.382 2.242 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(c2ccccc2)CCC1 10221568 FGPAMBRONLHXTN-UHFFFAOYSA-N 374.462 2.194 0 40 FEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1 12606153 OEMLRIAPPUXDIW-UHFFFAOYSA-N 373.478 2.115 0 40 FEAB CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(C)s1 3323537 IPRMVGIXOAFMTM-UHFFFAOYSA-N 374.462 2.378 0 40 FEAB FC(F)(F)c1ccc(-n2nnnc2CSc2nnnn2C2CC2)cc1 48375436 HBBNAAVLQXZBJS-UHFFFAOYSA-N 368.348 2.295 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2 12892695 ZVZYXODMIYOIQV-AWEZNQCLSA-N 350.415 2.271 0 40 FEAB biogenic CCOc1ccc(OC[C@H](O)CN2C(=O)CCN([C@H](C)CC)C2=O)cc1 12943800 CDYWYMHZDKKUNG-HUUCEWRRSA-N 364.442 2.278 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 12939753 ZVZYVTAPWAMFSV-WFASDCNBSA-N 362.401 2.442 0 40 FEAB Cc1ccc(O)c(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 7840041 AAXXZINDNAFVQP-GFCCVEGCSA-N 354.362 2.231 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@H]1CCCO1 13006370 FJXPUYNTIVBSPZ-GFCCVEGCSA-N 361.467 2.022 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)NCc1ccccn1 68734242 PJSHOKCJIGEXGG-MDWZMJQESA-N 359.432 2.496 0 40 FEAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)CC)s1 13629599 SEKOKHXEJMFFNP-JTQLQIEISA-N 373.431 2.267 0 40 FEAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O 64987613 YNHNZRXFERPTSB-UHFFFAOYSA-N 364.405 2.408 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)cc1OC 6213797 ZOFWBTRHFATGLC-UHFFFAOYSA-N 357.409 2.353 0 40 FEAB CCCn1nnc(NC(=O)c2cc(Br)cc(C)c2OC)n1 6274429 OYIUDFUJOGGZOY-UHFFFAOYSA-N 354.208 2.415 0 40 FEAB CC(=O)c1ccccc1OCCSc1n[nH]c(=O)n1C[C@@H]1CCCO1 14116553 WNMKDAHAVQRTIA-ZDUSSCGKSA-N 363.439 2.124 0 40 FEAB Cc1sc2nc([C@@H](C)N3CCN(C(=O)C(C)C)CC3)[nH]c(=O)c2c1C 14114454 DNBNHBQDUGTUMZ-GFCCVEGCSA-N 362.499 2.463 0 40 FEAB CCNC(=O)c1cc2c(CNC(=O)c3ccc(C)nc3)nn(C)c2s1 306126681 FBYSOYXLLGOKBH-UHFFFAOYSA-N 357.439 2.018 0 40 FEAB NC(=O)CSc1ncnc2c1cnn2-c1ccc(Br)cc1 5575365 QPZDYBNESQYVDT-UHFFFAOYSA-N 364.228 2.155 0 40 FEAB CCc1c(C)sc2nc(SCC(N)=O)n(C[C@H]3CCCO3)c(=O)c12 5571501 MPDFDWIPBFXANC-SNVBAGLBSA-N 367.496 2.085 0 40 FEAB CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408595861 VMULSQLCUFIYSX-UHFFFAOYSA-N 369.487 2.408 0 40 FEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1C(N)=O 7022691 CQWBICJQURGQNS-MRXNPFEDSA-N 374.824 2.134 0 40 FEAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCN(C)CC2)cs1 27269531 CFYKVUWHAHHYLO-UHFFFAOYSA-N 356.495 2.255 0 40 FEAB CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccn3)c2C)cn1C 75215637 QXSGYSFVJJZILJ-UHFFFAOYSA-N 353.382 2.343 0 40 FEAB COc1ccc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)c(OC)c1 8990505 QNUAKTVFMLMUTA-UHFFFAOYSA-N 362.777 2.074 0 40 FEAB O=C(NCc1noc(-c2ccccc2)n1)[C@H]1CCCN(c2ncccn2)C1 8992489 STFNQXPOJFEQIT-HNNXBMFYSA-N 364.409 2.059 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060376 MMUOMHHHRBXVGW-JTQLQIEISA-N 358.352 2.486 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 93008423 IROITVOSGXFGEA-QGZVFWFLSA-N 360.433 2.192 0 40 FEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCCn2nc(C)nc21 83740537 XNZVOZWOPVGEFZ-LSDHHAIUSA-N 371.441 2.293 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 9386600 KUUMTBDDAYIICP-VBKZILBWSA-N 373.453 2.154 0 40 FEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CN(Cc2ccccc2)CCO1 78077414 UXXNZRPSAOGUMB-GOSISDBHSA-N 363.421 2.107 0 40 FEAB O=C(CN1Cc2ccccc2C1)NCC(=O)Nc1cccc2cccnc12 84582077 GGCTUHAXNFRDHI-UHFFFAOYSA-N 360.417 2.305 0 40 FEAB C[C@@H](NC(=O)c1cnc2ccccn12)c1cccc(NS(C)(=O)=O)c1 84656207 AFMDOQLZGVLXGJ-GFCCVEGCSA-N 358.423 2.197 0 40 FEAB CC(C)n1c(CCNC(=O)[C@@](C)(O)c2cccc(F)c2)n[nH]c1=S 73497209 RCNLDWASMWZZLW-INIZCTEOSA-N 352.435 2.227 0 40 FEAB CCC[C@@H](CC(=O)O)NC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 95989917 WRCKXZCNWWDUCJ-LBPRGKRZSA-N 353.375 2.026 0 40 FEAB O=C1N(CC2CCOCC2)C[C@@]2(F)CN(Cc3ccsc3)C[C@@]12F 306140695 VBBAHXGFZHPKRD-DLBZAZTESA-N 356.438 2.249 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cc2c1C 551218195 HRUYKBKMJVDHRO-RBUKOAKNSA-N 356.470 2.399 0 40 FEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 409308505 YSINIBFGKBGLPS-BMQTXXJKSA-N 363.369 2.216 0 40 FEAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 306145085 ZXLCQSUBUZSMSD-MRXNPFEDSA-N 367.449 2.403 0 40 FEAB C[C@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1nnc2n1CCCC2 527825573 XIGTWXYSUBYTDU-GOEBONIOSA-N 360.506 2.382 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 553080487 LZPFHKPCMLHVFM-ZWKOTPCHSA-N 362.495 2.484 0 40 FEAB COc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 72242061 PJFCGFUGZDVOHB-HKUYNNGSSA-N 353.422 2.316 0 40 FEAB CC(=O)c1cccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 44846919 DZHSKIUDBGLAOF-UHFFFAOYSA-N 352.456 2.056 0 40 FEAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 225093994 UMHAUDPVQUUAMA-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2CCCS2(=O)=O)cc1 574822263 CWCSNDPZIGNQAN-CABCVRRESA-N 367.467 2.193 0 40 FEAB COc1ccccc1COc1cc(NC(=O)c2snnc2C)ncn1 77199831 WMZKUQGTQJSGLA-UHFFFAOYSA-N 357.395 2.476 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)ncn1 248123999 OARRYTQMYRWAMU-HNNXBMFYSA-N 355.442 2.002 0 40 FEAB COc1ccccc1OCC(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252570590 WWHLYBGDHKREQL-SHTZXODSSA-N 357.410 2.370 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1CC(=O)O 271609053 KDMICGRRDXWXAR-UHFFFAOYSA-N 361.419 2.464 0 40 FEAB O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CC[C@@](F)(CO)C1 637588407 FQESNXWLSSFOKZ-YCPHGPKFSA-N 360.788 2.425 0 40 FEAB NC(=O)Nc1ccc(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1 1623771559 DURUWCXERJDSJF-CYBMUJFWSA-N 356.407 2.384 0 40 FEAB COc1ccc(CNC(=O)N2CC[C@H](Oc3nc(C)cc(C)n3)C2)cc1 390826923 CNZCOAVDPQWTDY-KRWDZBQOSA-N 356.426 2.465 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)c1 575402410 AHGBCFSEZZAWQL-SFHVURJKSA-N 372.465 2.008 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NC3CCCC3)C2)c1 575402455 AOEYGEHPOISZMI-SFHVURJKSA-N 352.438 2.447 0 40 FEAB Cc1nc2ccc(NC(=S)N[C@]3(C)CCS(=O)(=O)C3)cc2s1 575421478 JMEIKPUFYQYPQV-CQSZACIVSA-N 355.510 2.468 0 40 FEAB Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2ncccc2F)n[nH]1 585097061 HBJXEOKEBUKKIW-INIZCTEOSA-N 356.405 2.302 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12183462 UAQAKPFKUGQDIA-HZPDHXFCSA-N 371.481 2.390 0 40 FEAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c2c(C)nn(C)c2n1 12862286 MIXFVUIANOIYFF-UHFFFAOYSA-N 366.425 2.069 0 40 FEAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)CC1 4107674 SLQIFNRBXIEPQD-NSHDSACASA-N 353.513 2.168 0 40 FEAB Cc1cnn(CC(=O)N2Cc3ccccc3NCC[C@@H]3CC[C@H](C2)N3C)c1 643588349 DVJNJZPQDRWEFE-RBUKOAKNSA-N 367.497 2.499 0 40 FEAB O=C(NCCc1ccccc1)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 12229768 KKPXRHXXNOQICO-INIZCTEOSA-N 373.478 2.093 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)s1 32548899 VBNHCUAVCBYVDR-UHFFFAOYSA-N 356.444 2.044 0 40 FEAB CCS(=O)(=O)N1CCC(NCc2csc(Br)c2)CC1 30667895 YOKDTPVWWSEYBT-UHFFFAOYSA-N 367.334 2.414 0 40 FEAB Cc1ccc2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc2c1C 2086992530 OSGKYWBDTUBHFL-UHFFFAOYSA-N 355.467 2.333 0 40 FEAB Cc1noc(CC(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)n1 1565543147 LBDLLRPHBYDQKS-QGZVFWFLSA-N 360.439 2.028 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1F 4940663 KJBMFGFDDOQHEI-UHFFFAOYSA-N 362.382 2.307 0 40 FEAB O=C(NCCCn1nc(-c2cccnc2)ccc1=O)c1ccc(F)cc1F 11745583 WQDIYRSSLKZZBD-UHFFFAOYSA-N 370.359 2.404 0 40 FEAB CC[C@H]1CCCCN1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O 15962667 YYXCXSSGNJZPJH-HNNXBMFYSA-N 372.469 2.093 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(c4ncccn4)C3)C2)cc1 2055835292 PBOHYLJULDZFMW-LJQANCHMSA-N 367.409 2.239 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ccccn1)C(F)(F)F 19944398 GWSASPQVMVTSFR-HNNXBMFYSA-N 371.290 2.494 0 40 FEAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1nncn1C 40087119 NDIABXRUNBJEDL-UHFFFAOYSA-N 373.638 2.235 0 40 FEAB O=C(Cn1ncc2ccccc2c1=O)NCCCc1nc2ccccc2[nH]1 30584244 KATQGWKVMDUJDA-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1Br 25044474 GZCQDFKDHKDGLF-UHFFFAOYSA-N 356.195 2.359 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)(C)C)cnc32)cc1C 1330658 XJPFVLKBSYELRY-UHFFFAOYSA-N 353.426 2.114 0 40 FEAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12 1331690 VIPPTEHQWJAXOJ-UHFFFAOYSA-N 371.466 2.169 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 1381569 ADPPSTOCYBRXMH-NXEZZACHSA-N 358.489 2.005 0 40 FEAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(Cc1cccs1)C1CC1 56035893 UBBYXCRDGXMRDP-UHFFFAOYSA-N 369.468 2.310 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)cc1 4338228 SUVHYGQCFPQLJM-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1OC)CC(=O)N2 4944432 KTBHVXMSJGTWGC-LLVKDONJSA-N 361.423 2.373 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1770484 QVMDAAMLBMFLLB-OAHLLOKOSA-N 361.394 2.184 0 40 FEAB biogenic Cc1csc(=O)n1CCCC(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 26585141 KNPUQURDFBHHIX-OCCSQVGLSA-N 354.472 2.237 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108532619 IDDDDGMQATVFLW-OAHLLOKOSA-N 353.426 2.138 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(-c2nnco2)c1 27110752 IJVWYVVHPFLBMO-UHFFFAOYSA-N 361.361 2.475 0 40 FEAB O=C(CCc1ccccc1O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12693040 GOBYKIPJRITYMB-UHFFFAOYSA-N 360.435 2.404 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 58283363 HGMCYNDDLRSFFQ-HNNXBMFYSA-N 352.394 2.419 0 40 FEAB COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)NC3CC3)o2)n1 36356877 FAQMUNRXGSJTGH-UHFFFAOYSA-N 361.379 2.446 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 11707200 HNYMXAQZDRQTSM-UHFFFAOYSA-N 362.407 2.059 0 40 FEAB O=C(NCCCN1CCCC1)N1CCCC[C@H]1c1nnc2n1CCCC2 95460998 PBERRHWTZXJCNO-INIZCTEOSA-N 360.506 2.337 0 40 FEAB Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)s1 12165784 MDFCVITVFBQXLX-UHFFFAOYSA-N 356.407 2.377 0 40 FEAB O=C(c1cccc[n+]1[O-])N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 95435832 KHHBVSDLFDCERC-HIFRSBDPSA-N 352.312 2.287 0 40 FEAB Cc1csc(SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)n1 3308757 NNRGPEUIAPCMTC-LBPRGKRZSA-N 350.421 2.026 0 40 FEAB CCOc1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC 3342152 JLYZBOBIRBKUFB-ZIAGYGMSSA-N 365.426 2.277 0 40 FEAB CCN1CCC[C@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1 174235588 YOQRHZVASFVSLN-JTQLQIEISA-N 350.410 2.488 0 40 FEAB CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(=O)[nH]c1 12818580 LKHRDRNUSKKIMJ-UHFFFAOYSA-N 351.200 2.288 0 40 FEAB C[C@@H]1NC(=S)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O 67256085 YSAQIIYUJZZHGQ-ZDUSSCGKSA-N 353.447 2.269 0 40 FEAB COc1ccc2c(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3C)c[nH]c2c1 13653997 MMKJVQDMNYBDJE-MJGOQNOKSA-N 372.446 2.455 0 40 FEAB COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 39954273 UCMPQDOFNHHSGW-KBPBESRZSA-N 365.382 2.315 0 40 FEAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccco1 14120583 DEGVYYVPLKCBIR-LBPRGKRZSA-N 358.423 2.182 0 40 FEAB COc1ccccc1CCNC(=O)CSc1nnnn1C1CCCC1 14236143 RPMSAVDLGBWSCU-UHFFFAOYSA-N 361.471 2.248 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 5634097 IMIXSRAZENYRER-UHFFFAOYSA-N 364.833 2.239 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)cc(N)n1)CC2 7094408 KSAWZSRJWCSUEV-UHFFFAOYSA-N 374.466 2.061 0 40 FEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NC1CC1 408597789 YEYNWIQLQDUVFA-UHFFFAOYSA-N 372.874 2.218 0 40 FEAB COc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842583 PQVWLNLTYDJZQJ-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB O=C(COC(=O)c1cnccn1)c1ccc(NC(=O)c2ccco2)cc1 9952792 HNXJUKOMSVRXES-UHFFFAOYSA-N 351.318 2.362 0 40 FEAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc(Cl)c1 8007524 OGTZRBIDXKEVRG-UHFFFAOYSA-N 369.808 2.350 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 8235307 UVJIYUKUEBNUTG-IBGZPJMESA-N 363.433 2.231 0 40 FEAB CN1CCN[C@@H](CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 97166258 DFHHANKUUCAPNB-HNNXBMFYSA-N 363.383 2.404 0 40 FEAB CCSc1cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccn1 92525844 SQQHDUWTDQJDBT-UHFFFAOYSA-N 355.423 2.330 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992914 UYPWVWHKONPWGR-SNVBAGLBSA-N 357.805 2.256 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 408661405 VSFRDUSEFFKLFP-AWEZNQCLSA-N 374.437 2.358 0 40 FEAB Cc1ccc(C)c(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306141351 VSYSBLFPLUJMIG-QZTJIDSGSA-N 367.497 2.337 0 40 FEAB COc1cccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 66683626 KUDKXQFXNHTIIX-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccccc1F)C[C@H]2O 30588741 WDXIZGXCNDEMPZ-MRXNPFEDSA-N 374.412 2.008 0 40 FEAB Cc1nc(C)n(C2CN(C(=O)c3c(F)cccc3Br)C2)n1 555544733 QBXZMOUVQDVSRX-UHFFFAOYSA-N 353.195 2.494 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1OCC 408696721 DTZRXFYNFHASLK-UHFFFAOYSA-N 354.472 2.446 0 40 FEAB O=C(CCc1cc(Cl)no1)N1CCC(O)(c2cccnc2F)CC1 72340026 OZQSWSWLWARTJZ-UHFFFAOYSA-N 353.781 2.305 0 40 FEAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCNC5)ncc4C3)ccc2O1 72390934 YLYWPCUOPDLYTL-UKRRQHHQSA-N 364.449 2.075 0 40 FEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H](C1CC1)N1CCCC1 123189628 HBBCGWKTOGYSAY-KBXCAEBGSA-N 364.511 2.484 0 40 FEAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614983 OWNGYEBGIUIGJN-UHFFFAOYSA-N 361.418 2.066 0 40 FEAB Cc1c(F)cccc1NC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224147312 FNHGSYBWUNCFSB-UHFFFAOYSA-N 374.420 2.471 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 41247856 OJWRGSMTNFEYIM-NSHDSACASA-N 360.863 2.028 0 40 FEAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc2c(c1)CCO2 225625142 LVZDTDPXVRKFBE-LJQANCHMSA-N 374.462 2.463 0 40 FEAB COC[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cncn2C1 96215193 SZSLOQUGURDAHD-GFCCVEGCSA-N 359.817 2.103 0 40 FEAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NC[C@@H]1CCCO1 96223097 WITOQQOQSNWKBU-ZDUSSCGKSA-N 369.446 2.488 0 40 FEAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1cccs1)C2 96039754 RUSLCUHAPSHNIG-WMZOPIPTSA-N 352.500 2.224 0 40 FEAB COCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCCCO3)[C@H]2C 96109637 WTOVMOFSLNCUDD-ZDUSSCGKSA-N 357.410 2.408 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H](N(C)Cc2cccnc2)C[C@H]1C(=O)O 96198750 KGVIYGNQUJLCFP-WBVHZDCISA-N 357.410 2.173 0 40 FEAB COc1ccc(C[C@H]2CN(S(C)(=O)=O)CC[C@@H]2OCC2CC2)cc1 96111194 CBMAATSWBARJNI-WMZOPIPTSA-N 353.484 2.314 0 40 FEAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)C(=O)c1ccc(Cl)s1 582217902 WWFAUEQHNQQBHA-UHFFFAOYSA-N 363.782 2.279 0 40 FEAB COc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 96047571 GQGJJUPTGWJLGK-QFBILLFUSA-N 358.417 2.470 0 40 FEAB C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 243278638 KZEQUKUBDWPJAK-CQSZACIVSA-N 364.442 2.465 0 40 FEAB CN(C)Cc1cnc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)[nH]1 257293612 QQJIECCTPABPFG-QGZVFWFLSA-N 353.426 2.166 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257249270 JHNLOIGRLWMAOG-HNNXBMFYSA-N 358.423 2.351 0 40 FEAB COCC(=O)N1CC[C@H](c2cc(-c3ccccc3C(=O)O)nc(C)n2)C1 257280080 OJIZZFJVRUMSDA-ZDUSSCGKSA-N 355.394 2.113 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1nccs1)C[C@H]2c1ccccc1 257204324 ATZIUFWCAZHRHE-XFKSJGNHSA-N 371.506 2.340 0 40 FEAB CC(=O)N1CCC[C@@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 257247128 IXQFQLOEWXBYTR-OAHLLOKOSA-N 359.426 2.313 0 40 FEAB CN(CCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Br 262450972 FPXGKXXMEPLDMZ-UHFFFAOYSA-N 356.625 2.198 0 40 FEAB O=C(NCc1nc(C(F)F)no1)N1Cc2ccc(O)cc2C2(CC2)C1 1123621082 FCRAPGGLLFWMCJ-UHFFFAOYSA-N 350.325 2.470 0 40 FEAB CO[C@H](CS(=O)(=O)Nc1ccc(-c2coc(C)n2)cc1)[C@H]1CCOC1 656615785 GIRZHJFHYNBWHS-WMLDXEAASA-N 366.439 2.443 0 40 FEAB Cc1cccc(N2CCN(c3ncc(C(=O)N(C)C)cc3Cl)CC2)n1 1163667835 GBKUCAPQIMTGCL-UHFFFAOYSA-N 359.861 2.467 0 40 FEAB CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccccc2Cl)CC1 670416121 MVXAUUMIUANMPK-LBPRGKRZSA-N 373.844 2.062 0 40 FEAB COc1ccccc1-c1n[nH]c2c1CCN(C(=O)CN(C)C(C)C)CC2 585110364 KKEGDXBSNDOXAA-UHFFFAOYSA-N 356.470 2.353 0 40 FEAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)n1 72363618 CXCLWDFAMTUNNR-CYBMUJFWSA-N 360.487 2.253 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 43979999 KDVHLSHIICMXJS-UHFFFAOYSA-N 364.389 2.107 0 40 FEAB Cc1nccc(-c2ccc(-c3noc(CN4CCC[C@H](O)C4)n3)cc2)n1 12337094 FWLRCNLTGZZAQH-INIZCTEOSA-N 351.410 2.459 0 40 FEAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCSCC1)c1ccccc1 12602626 XZSBEWDFTRKEFZ-GBESFXJTSA-N 359.539 2.176 0 40 FEAB biogenic,in-vitro Cc1cc2nc(C[C@H](NC(=O)c3cnccn3)c3ccccc3)cc(O)n2n1 19130067 DYLCESBEAVCSKT-INIZCTEOSA-N 374.404 2.247 0 40 FEAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc(OC)c3)C2)no1 19593546 CFCPBSXIWHOMAC-INIZCTEOSA-N 373.453 2.439 0 40 FEAB CC(=O)N1CCN(C(=O)NCCC[C@@H]2CCOC2)CC12CCCCC2 653252621 IESSTUWXULZQLK-QGZVFWFLSA-N 351.491 2.380 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)ccc1NC(=O)CC(C)C 152466709 ZAEGAJCXLZLEAY-ZWKOTPCHSA-N 359.470 2.135 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 7287728 AUQPNRVDAIJUFC-UHFFFAOYSA-N 359.401 2.181 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1888857106 MQTRISRMAHIXND-UHFFFAOYSA-N 354.386 2.175 0 40 FEAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23347957 KWQGLKFNLPQXMA-UHFFFAOYSA-N 371.422 2.063 0 40 FEAB Cc1ccccc1-n1c(=O)cc(N2CCN(c3ccccc3)CC2)[nH]c1=O 4251622 FROHFENRJZYKQK-UHFFFAOYSA-N 362.433 2.161 0 40 FEAB CCOC(=O)c1c(SCC(=O)Nc2ccc(C)cc2)nc(=O)[nH]c1C 4317571 HUHMFTVLPGZUNG-UHFFFAOYSA-N 361.423 2.294 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(Cl)cc2)n1 7418976 NBGZHAWRNVTBEN-UHFFFAOYSA-N 373.800 2.243 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2nccs2)C1 2055751237 YKMHDVDOLAGZEX-LJQANCHMSA-N 374.510 2.352 0 40 FEAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=N)n(-c2ccccc2)c1=O 101411473 GTJPNGHQBFPTBS-UHFFFAOYSA-N 369.446 2.361 0 40 FEAB Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(F)cc3C)cn2n1 207995653 YZEDHRSUPWVPSK-UHFFFAOYSA-N 362.430 2.396 0 40 FEAB O=C(CN1CCC(C(=O)N2CCSCC2)CC1)Nc1ccc(F)cc1 2298112363 DIRSBOVKOHCGMX-UHFFFAOYSA-N 365.474 2.052 0 40 FEAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cncc(N)c3)C2)on1 13226030 VRUUYDZKTLAJTQ-LLVKDONJSA-N 370.438 2.499 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)[nH]n1 19083683 CZAORXGLWYCHJH-CYBMUJFWSA-N 368.485 2.163 0 40 FEAB Cc1ccc(-c2nnc(CCC(=O)Nc3nc(CC(N)=O)cs3)o2)cc1 40033960 JCTSILSREQEIQG-UHFFFAOYSA-N 371.422 2.101 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC2(O)CCCCC2)C1=O 40158420 RNVVFRAHMYUFQF-IBGZPJMESA-N 374.437 2.310 0 40 FEAB O=C(NCc1cccc2c1OCO2)NC[C@@H]1CCN(CC(F)(F)F)C1 50145819 LMURUQDAMNARRN-NSHDSACASA-N 359.348 2.099 0 40 FEAB Cc1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)nn12 32090534 VNROCKISTUMDIR-ZDUSSCGKSA-N 354.389 2.427 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1 101371532 LRWTYMVGOKIRTD-JYJNAYRXSA-N 365.433 2.247 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)s1 21348530 OPOSOGYTDXOUTM-YUTCNCBUSA-N 366.483 2.413 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)NCCCO[C@@H](C)c1ccccc1 32759997 SWCXXNKJYJIOIO-ZFWWWQNUSA-N 353.488 2.061 0 40 FEAB Cc1ccc(-c2cc(C(=O)NC3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325490 CULKNMSUZFMGAF-HNNXBMFYSA-N 359.451 2.110 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1 665226 UBDFBZBGYROPMC-CQSZACIVSA-N 374.462 2.384 0 40 FEAB COc1ccc(CN2CCN(Cc3ccon3)C[C@H]2CCO)c(C)c1C 104402518 JWOXBXQFQGVBSH-LJQANCHMSA-N 359.470 2.369 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)[C@H]1CC(=O)N(c2ccccc2F)C1 23171498 IESIUUCHAKPXCK-ZDUSSCGKSA-N 365.368 2.398 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N3CCN(c4ccccc4F)CC3)cc12 23703287 YCYZUQVOWKFITB-UHFFFAOYSA-N 353.401 2.378 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1 851356 URJDAXAJTCWNLZ-LLVKDONJSA-N 354.362 2.327 0 40 FEAB CCC(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 1378077 VCHZXMLUNAZQHQ-OAHLLOKOSA-N 372.421 2.217 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(C)c1C 25179844 OADYMTHDBZTURV-MRXNPFEDSA-N 374.462 2.465 0 40 FEAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC2(CC1)OCCO2 2497034 RYTODPRDLHIJTR-QGZVFWFLSA-N 366.502 2.463 0 40 FEAB O=C(NCCOc1ccc2c(c1)CCC2)C1CCN(c2ncccn2)CC1 56009880 AEOMRGBRMOPPSA-UHFFFAOYSA-N 366.465 2.377 0 40 FEAB CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)S(=O)(=O)c1ccccc1 43780202 CZHLKJRVOPJLMC-RDJZCZTQSA-N 350.484 2.488 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2oc1=O 4061978 CILMVYLOUANTLX-CQSZACIVSA-N 359.378 2.173 0 40 FEAB biogenic CN(Cc1ccco1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 43998259 ODMQBPZUWSERRS-CVEARBPZSA-N 362.426 2.220 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1CCCN(c2cc(C)nc3ncnn23)C1 4898172 XAWUUZIJCGCRNW-CQSZACIVSA-N 366.425 2.296 0 40 FEAB COCCN(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2C1=O 7967432 XKGONUQWLRJDLH-UHFFFAOYSA-N 366.417 2.348 0 40 FEAB CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1cnccn1 58264371 YLBLPFIWWKNYCB-UHFFFAOYSA-N 357.483 2.100 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1C 9974245 CTPWGLKWTVKVGV-AWEZNQCLSA-N 368.499 2.319 0 40 FEAB Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 56841891 MPYDBJDJDOOJGA-CRAIPNDOSA-N 367.405 2.153 0 40 FEAB O=C1CCc2cc(OC(=O)[C@H]3CCCN(c4ncccn4)C3)ccc2N1 45235855 SWFXXOXCOWCYTI-AWEZNQCLSA-N 352.394 2.183 0 40 FEAB CC(=O)N1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 36646264 IPZZKXWJBNTLRB-UHFFFAOYSA-N 364.453 2.491 0 40 FEAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)c1 108532436 SMPSXXWJMNCINU-MRXNPFEDSA-N 370.490 2.197 0 40 FEAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 101276086 ZVHBLVKWHJSTLP-HNNXBMFYSA-N 356.378 2.456 0 40 FEAB CCOc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 3403223 KYZYLLHTNBIHNQ-UHFFFAOYSA-N 354.362 2.227 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303420 OVFJCMFLDNCEDT-CYBMUJFWSA-N 363.414 2.260 0 40 FEAB Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)no1 49951542 ZNTKYMRQUYBIRG-UHFFFAOYSA-N 352.188 2.456 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCCCOc1ccc(F)cc1 6354017 SRJJAENIBDSXJB-UHFFFAOYSA-N 357.337 2.434 0 40 FEAB O=C(O)CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 4507408 KWIVRQHBCYQKAN-RAXLEYEMSA-N 362.769 2.295 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6525458 VOZRRPISIXYRAI-HOCLYGCPSA-N 371.437 2.408 0 40 FEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046891 HQEFRFZXWVKLER-KRWDZBQOSA-N 370.449 2.012 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 4332844 HIZFEAVFHUJMGC-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cccc1C(=O)N1CCOCC1 67456155 RNYKOPCWQGRBBU-JKSUJKDBSA-N 372.421 2.073 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cc1 7756923 INJKXJCWKROVFD-YCABEKBOSA-N 353.374 2.443 0 40 FEAB CNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 8028764 ASJOXGIAHAUTSL-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB COCCN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 72273951 UOBXRACRMQOXBJ-ZDUSSCGKSA-N 354.834 2.252 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)n(C)c1 8883814 RNADTRKNTYNXEI-UHFFFAOYSA-N 361.467 2.259 0 40 FEAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(c2ncccn2)CC1 9053451 YSJOENKMSWDPRC-UHFFFAOYSA-N 366.450 2.266 0 40 FEAB CNC(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 72309957 HIQRZAFXZROSDH-LBPRGKRZSA-N 357.376 2.368 0 40 FEAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c2ccccc2N1 84578824 LIWGEHVGLJBOLL-NVXWUHKLSA-N 367.405 2.013 0 40 FEAB Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)s1 56997487 GCCNFXMZJRFSNH-UHFFFAOYSA-N 365.524 2.157 0 40 FEAB Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)c1 27743592 BBOZOHXQYRUALZ-UHFFFAOYSA-N 370.228 2.203 0 40 FEAB COc1ccc(C(=O)Nn2c(C)nnc2SC)cc1Br 33654169 LYXBVKILCDRMLQ-UHFFFAOYSA-N 357.233 2.463 0 40 FEAB CCOc1c(Br)cc([C@@H]2CC(=O)N=C3N=CNN32)cc1OC 409375580 MRGZHIQCCLXGJB-JTQLQIEISA-N 367.203 2.032 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccoc3Cl)CC2)[C@H]2COC[C@H]21 1026096376 WSXGEDBGNQABGM-UONOGXRCSA-N 352.818 2.033 0 40 FEAB Cc1ncc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C2CC2)n1 529250750 MAEVBOCTQPOBNA-UHFFFAOYSA-N 366.421 2.387 0 40 FEAB COc1ccccc1-n1cc(C(=O)N2CCOCC2)c2ccccc2c1=O 79477482 RSSMDAMKSRHKIO-UHFFFAOYSA-N 364.401 2.472 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408598137 XGEVMPKNKRWKON-UONOGXRCSA-N 362.451 2.239 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217430060 AOCVBGXVXLLLMI-YPMHNXCESA-N 356.444 2.053 0 40 FEAB NS(=O)(=O)CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 78672120 ABNNJEZKCOJNIO-UHFFFAOYSA-N 357.785 2.259 0 40 FEAB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 48400549 NLRAYSFLJNVQTI-ZDUSSCGKSA-N 363.435 2.355 0 40 FEAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(F)c(F)c1 223993946 MEAYSZZQBFHYAF-UHFFFAOYSA-N 360.426 2.427 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1 225840608 RDMJERIZZXYUDM-UHFFFAOYSA-N 356.513 2.478 0 40 FEAB CCN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223039683 RCUXCVNLTQYSQI-UHFFFAOYSA-N 360.479 2.497 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1OC 222914495 QTUSLEBXPIWJSG-UHFFFAOYSA-N 366.414 2.409 0 40 FEAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)C1 223201847 NGCORUDRTSVNNX-OXQOHEQNSA-N 357.454 2.333 0 40 FEAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96043098 DRWDEMAXIWZWPO-YTQUADARSA-N 355.438 2.013 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192186 WLGGSKBHEFNTOW-LLVKDONJSA-N 358.364 2.247 0 40 FEAB Cc1cnc(C(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96215398 TZHZQZMWNSAPKZ-FQEVSTJZSA-N 358.486 2.140 0 40 FEAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)CCc4ccccc4C)C[C@H]3O2)o1 96216291 YIZMKCSPHAHZQK-RCCFBDPRSA-N 355.438 2.478 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cscn2)C3)n1 247883861 SFEAREAMSSDMSU-HNNXBMFYSA-N 359.451 2.437 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1cccc(OC)c1 257256573 KMBAERNKOVMWME-MJGOQNOKSA-N 361.486 2.015 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cn1 257223714 DYPJXPNSMYITHI-OAHLLOKOSA-N 354.458 2.126 0 40 FEAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cnn3cccnc23)nc1 257237482 HGRBXJBVTZUALV-QGZVFWFLSA-N 350.426 2.163 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2sccc2C)Cc2ccnn21 253599908 WYJMVNADNYRJEJ-OAHLLOKOSA-N 368.528 2.139 0 40 FEAB O=C(O)[C@@H]1CC[C@H](C(=O)NCCCc2ccco2)N1Cc1ccccc1 630649672 LLVLTZGRYDCQFW-MSOLQXFVSA-N 356.422 2.446 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 1123672175 RVKYVIJRQCEIMY-GDBMZVCRSA-N 372.421 2.117 0 40 FEAB CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(=O)N(C)CC2)N(C)C)cc1 664907799 VSQKIFIHDRAKIF-LJQANCHMSA-N 374.529 2.362 0 40 FEAB O=C(Nc1cccc(CNc2ncnc3nccnc23)c1)[C@H]1CCCO1 677001039 GWWKYPWMBGBBJZ-CQSZACIVSA-N 350.382 2.149 0 40 FEAB C=CC(=O)N(C)CC(=O)Nc1ccc(F)cc1I 1629355883 SYGSGEMJCNZSRI-UHFFFAOYSA-N 362.142 2.013 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585270776 ANBXKUSHKCIYJQ-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)N1CCCC1 585112289 MUHGNHPKBNMGLZ-QGZVFWFLSA-N 354.458 2.031 0 40 FEAB O=S(=O)(CCC(F)(F)F)N1CCCN(C2CCSCC2)CC1 1775995375 RGVGUCMCTJRUKS-UHFFFAOYSA-N 360.467 2.172 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)N(C)[C@H]3CCc4ccccc43)ccc2c1=O 51034544 TVPNCSJCTKDDLE-SFHVURJKSA-N 363.417 2.469 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Cl)c1 56100050 DQUIPPCPVUNBNS-LLVKDONJSA-N 370.837 2.216 0 40 FEAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N)c1 5242016 GQJUNXQVNOOYSB-UHFFFAOYSA-N 357.395 2.185 0 40 FEAB Cc1nc(N)sc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12222920 HNHBHXMZGPMUBW-UHFFFAOYSA-N 370.438 2.499 0 40 FEAB COc1ccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 18217523 KIIMMCVVQQVNNR-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB CC(C)C(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1 19085188 GRYCHRWDDDHOSJ-UHFFFAOYSA-N 369.465 2.283 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2F)CC3)cn1 19239082 WQUIBJVKAULZTO-UHFFFAOYSA-N 351.385 2.233 0 40 FEAB Cn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2nccnc21 19289421 NYDRPDAAHAARFK-UHFFFAOYSA-N 353.401 2.451 0 40 FEAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 19372489 TTXNJFMWXQLHFC-IRXDYDNUSA-N 363.410 2.185 0 40 FEAB C[C@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19496457 GBBQIRFNKIROLS-DLBZAZTESA-N 372.513 2.018 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(C[C@@H]4CC=CCC4)CC3)n2CC1 19709400 NFTMFDWJEPZSDH-QGZVFWFLSA-N 357.502 2.218 0 40 FEAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)CCC(F)(F)F 225712857 CWDIEBFGOCQNOW-AWEZNQCLSA-N 367.389 2.091 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)nn1C1CCCCC1 537388987 JPKJOZNSSYIHMK-MRXNPFEDSA-N 359.474 2.327 0 40 FEAB Cc1noc(C)c1CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575606308 IBSMDODWVDULHM-UHFFFAOYSA-N 359.352 2.043 0 40 FEAB C[C@@]1(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)CC1(Cl)Cl 5560507 ZSOQADJDPTUCIG-AWEZNQCLSA-N 358.177 2.327 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2cc(Cl)ccc2Cl)C1=O 21559219 JQNMRWLVTSSDJG-MEDUHNTESA-N 373.236 2.454 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C(C)(C)C)nn23)cc1 4251430 BCPNYLABSNIRET-UHFFFAOYSA-N 372.454 2.149 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 4359985 XJECCDAXMZVMCG-HNNXBMFYSA-N 367.405 2.328 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cccn2C)C1 2055751298 GQRMXHKRPQMAIC-FQEVSTJZSA-N 354.454 2.200 0 40 FEAB O=C(NCC(F)(F)F)C1CCN(C(=O)Cc2noc3ccccc23)CC1 44454577 BACMRUDGGUXUMW-UHFFFAOYSA-N 369.343 2.287 0 40 FEAB Cc1nc2c(c(N3CC(Cn4nc(-c5ccncc5)ccc4=O)C3)n1)CCC2 585606160 SULOCBPVAZQDQU-UHFFFAOYSA-N 374.448 2.029 0 40 FEAB COC(=O)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)o2)o1 226794739 GEXKUYYKXRUGMZ-UHFFFAOYSA-N 363.351 2.118 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c(OC)c1 51356573 VRKPILCGVSJBDR-UHFFFAOYSA-N 365.332 2.455 0 40 FEAB O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 101385254 SUXPSJLNGRLVJE-WOJBJXKFSA-N 354.498 2.479 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 21937380 AVXBGKQTTGNENO-UHFFFAOYSA-N 370.375 2.428 0 40 FEAB Cc1ccc(CNC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1F 22057491 NRNTUUVPSUBMGN-UHFFFAOYSA-N 357.429 2.278 0 40 FEAB COc1ccc(C)cc1CN1CCN([C@H](C)C(=O)Nc2cc(C)on2)CC1 22924157 DICJOVKCNPMORX-MRXNPFEDSA-N 372.469 2.445 0 40 FEAB CNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 10157663 HOJATERQKBJTFZ-OAHLLOKOSA-N 351.454 2.183 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29506575 BGHHEORWDFFDAO-QZTJIDSGSA-N 372.465 2.327 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)c1 55526481 KZLDBIZNZINHJL-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CCCn1c(SCc2cc(=O)oc3cc(NC(C)=O)ccc23)n[nH]c1=O 21460958 AFKZPJOLJNMBOZ-UHFFFAOYSA-N 374.422 2.339 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(NCCc2cccs2)s1 9952608 MTFCTOZLSFRXHW-UHFFFAOYSA-N 371.513 2.192 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C)cc2C)c2ccccc2O1 29767465 KRWHRAKFORJZQQ-GOSISDBHSA-N 354.406 2.222 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCNC(=O)c1ccccc1 102890465 KDLBQZQWXGDAFY-AJHHTPGJSA-N 356.466 2.254 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)Nc1ccn(Cc2cccc(Cl)c2)n1 2805076 KLGKWBJTZJFUEJ-UHFFFAOYSA-N 365.846 2.428 0 40 FEAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC(=O)O 959174 OITDLGFSXSDKJB-GFCCVEGCSA-N 367.357 2.428 0 40 FEAB biogenic O=C(/N=c1/ccccn1Cc1ccccc1)c1cnc2sccn2c1=O 104892735 BCHVMFSNPDCHFH-PGMHBOJBSA-N 362.414 2.347 0 40 FEAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN(Cc1ccc(F)cc1)C1CC1 23642111 COTIKNGXSAYAHB-UHFFFAOYSA-N 359.401 2.481 0 40 FEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1cccs1 21556916 BBRMCHYFYDNLPN-INIZCTEOSA-N 366.508 2.410 0 40 FEAB COc1ccc(CN(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 25449259 JJENFKAPUPNJDH-UHFFFAOYSA-N 373.453 2.298 0 40 FEAB COCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)cc1Cl 44641341 JETRFBMGMYPFMT-VIFPVBQESA-N 354.255 2.059 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 58195485 HWSAWISYAGZHPJ-INIZCTEOSA-N 366.389 2.044 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58195088 ZCZZJFWOGFIRDB-HXUWFJFHSA-N 369.396 2.251 0 40 FEAB Cc1cc(NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccncc2)n1 58223832 UOZZZXXBKWANMX-HUUCEWRRSA-N 355.442 2.285 0 40 FEAB Cc1nc(-c2ccc(OS(=O)(=O)c3ncn(C)c3Cl)cc2)no1 27958972 NKNYGUQVOSSPGJ-UHFFFAOYSA-N 354.775 2.200 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H](C)CC2)cc(Cl)c1OCC(N)=O 58424862 URGOZHUHZYJTFX-LLVKDONJSA-N 354.834 2.475 0 40 FEAB COc1ccc(CCOC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc1 12880226 ZQFHOLBHUOUUFO-UHFFFAOYSA-N 363.435 2.359 0 40 FEAB C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)NC(C)(C)C 8173460 OQRGLBWDEDPCJR-LBPRGKRZSA-N 366.483 2.447 0 40 FEAB CC(C)C(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1CCCO1)n2C 13693778 PQRAYFSBTAZXHX-MRXNPFEDSA-N 358.442 2.006 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 4372262 HRVVRSSFNCUKIK-UHFFFAOYSA-N 366.464 2.046 0 40 FEAB CCc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1 16960501 SCNMFOYZYGULIN-UHFFFAOYSA-N 358.394 2.383 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 14121855 VCTFWGPKKDTIII-XIKOKIGWSA-N 361.467 2.134 0 40 FEAB COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CCCCCN32)cc1 14246101 LLHOOUNJNYOGBR-KRWDZBQOSA-N 368.437 2.102 0 40 FEAB O=C(Cc1noc(-c2ccc(OCC(F)F)nc2)n1)NC1CCCC1 90094679 IBYGMKZWUDDHAL-UHFFFAOYSA-N 352.341 2.377 0 40 FEAB COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(OC)c1 7183252 JBKDTARFSQJYEM-UHFFFAOYSA-N 371.345 2.074 0 40 FEAB CCc1nn(C)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 92248357 OUZYNSSBPXZEQB-UHFFFAOYSA-N 353.426 2.103 0 40 FEAB CC(C)c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)n1Cc1ccco1 9498813 RYDCRDBCDPXQAW-NSHDSACASA-N 363.443 2.075 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)no1 9721526 GOJIGSRNEKLFCJ-LJQANCHMSA-N 368.393 2.095 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)cc1OC 79044926 YYUDOPJOBHSEHP-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1nc2ccccc2n(CC(=O)N2CCO[C@H](c3ccccc3)C2)c1=O 79474897 IYTQMCZDVRFLHU-IBGZPJMESA-N 363.417 2.305 0 40 FEAB CNC(=O)[C@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 97569819 FPXOSZYTAMIZIW-VIFPVBQESA-N 368.352 2.082 0 40 FEAB C[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 84637363 OSAZRYBQVZHRJV-QMTHXVAHSA-N 359.253 2.485 0 40 FEAB CCS[C@H](C)c1noc(CN2CCN(C(=O)N(C)C)CC2(C)C)n1 95464641 LSSHUVBALPZBFA-GFCCVEGCSA-N 355.508 2.462 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCC(=O)O 95425303 AHXUCNKETQMXCV-HNNXBMFYSA-N 354.834 2.466 0 40 FEAB Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 20049263 NQGOXHUGXDEPTA-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NC[C@H]1CCCO1 409202191 PWBGNGWWABVNHX-HRYODUOUSA-N 364.398 2.157 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C 36386902 JXCHNRYDXKVRCO-UHFFFAOYSA-N 365.477 2.378 0 40 FEAB CCN(C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 79413315 NIUUJVJDAOCBOI-MSOLQXFVSA-N 361.486 2.477 0 40 FEAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCN(C(=O)CCC(N)=O)C2)n1 72384477 BYQHERIELGYKJX-HNNXBMFYSA-N 368.437 2.467 0 40 FEAB COCc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 72240281 ZHPSMGWTLIGCOU-UHFFFAOYSA-N 360.479 2.340 0 40 FEAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 9497802 BUXKGRTWBCVENV-QMMMGPOBSA-N 365.436 2.148 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2CN2C(=O)CNC2=O)c1 40135026 PFWZHNFFFDUFFY-UHFFFAOYSA-N 373.434 2.156 0 40 FEAB O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1CCCN(c2cccnn2)C1 135307366 LXHRXOVKPBIWQZ-SJLPKXTDSA-N 352.438 2.266 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 47081131 FINKABHFZXVIIF-UHFFFAOYSA-N 369.421 2.396 0 40 FEAB Cc1nc(N(C)C)nc(C)c1NC(=O)CN(C)C(=O)c1ccccc1F 224298455 LNUWOVXKRMSSBL-UHFFFAOYSA-N 359.405 2.009 0 40 FEAB Cc1cc(CNC(=O)Nc2cc(F)cc(F)c2)nc(N2CCOCC2)n1 224228836 HJPGSNYNFMTTGX-UHFFFAOYSA-N 363.368 2.222 0 40 FEAB CS(=O)(=O)N1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1 77196522 CTMRQWZFFQLYEC-SNAWJCMRSA-N 369.493 2.174 0 40 FEAB N[C@@H]1CC[C@H]2CN(C(=O)c3occc3CN3C(=O)Cc4ccccc43)C[C@@H]12 579240830 DHOMATVXKYQBLK-USXIJHARSA-N 365.433 2.178 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@@H]21 96043513 OUROXTGYHCJDTR-GUDVDZBRSA-N 355.438 2.218 0 40 FEAB C[C@H]1N(Cc2cccnc2)C(=O)COC12CCN(Cc1ccoc1)CC2 96062262 HFCNZWBUCHVDGM-MRXNPFEDSA-N 355.438 2.457 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 96249717 RIEWSKNXKYCKKC-IEBWSBKVSA-N 355.438 2.346 0 40 FEAB COc1ccc(-c2nn(CCCC(=O)NC(C)C)c(=O)cc2OC)cc1 96101194 YMIUFOQKZGVQQX-UHFFFAOYSA-N 359.426 2.232 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1 96037477 KEXZTZYNFZGLCR-UHFFFAOYSA-N 373.478 2.023 0 40 FEAB Cc1ccc(N2CCC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)nn1 90592294 GJVQTDKUJFTALL-UHFFFAOYSA-N 374.466 2.044 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2cnccn2)C1 257280465 OLABXWCVSZRZEE-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCc2ccccc2C1 85560476 PFODXVKHVZDVIE-FQEVSTJZSA-N 370.474 2.383 0 40 FEAB C=CC(=O)N(C)CC(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1647898788 SYCJYIBGHGACAP-FQEVSTJZSA-N 359.245 2.077 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3C[C@H](C(F)(F)F)OC[C@@H]3C)cc2=O)cc1 672174781 ZBKXPKOJVZTHLR-SMDDNHRTSA-N 369.343 2.266 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)c(OC)c1 604419506 HBHYNNHMATWAKC-OAHLLOKOSA-N 358.394 2.378 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2cccnn2)CC1 96119314 GUSYKYYSZBYYHU-UHFFFAOYSA-N 363.421 2.405 0 40 FEAB Cc1cncc(CN2CC(F)(F)C[C@@]3(CCN(CC4CC4)C3=O)C2)n1 585093233 JZMNKBVDPVXSCY-KRWDZBQOSA-N 350.413 2.255 0 40 FEAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CCn3ccc(C)n3)[C@H]2O)cc1 585284519 JDNRNWXWFKXACI-YVWKXTFCSA-N 357.454 2.225 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)c1 664430033 MCDCOAREULSRKD-YPMHNXCESA-N 374.890 2.156 0 40 FEAB O=C(COc1ccccc1F)Nc1ccc(N2CCCS2(=O)=O)cc1 5314835 WXJRUWPVTOSMNX-UHFFFAOYSA-N 364.398 2.383 0 40 FEAB CCOc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12146632 SJUUGPPLODTQPV-UHFFFAOYSA-N 354.366 2.123 0 40 FEAB Cc1cccc(C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)c1 12336933 QIFCDZGWUBOAFO-UHFFFAOYSA-N 352.398 2.021 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(OC)c1 12978091 QCIWZDNWOIJJKB-KSSFIOAISA-N 364.467 2.116 0 40 FEAB CCCCOC(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@H](C)C(=O)OCCCC 16951691 RFNDXDCWEVTDGH-BTUFVMOBSA-N 372.414 2.093 0 40 FEAB Cc1ccc2nc(COC(=O)C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc(=O)n2c1 18323156 VDRAZPSJSFPNGH-XFKLWTPLSA-N 368.433 2.377 0 40 FEAB O=C(c1ccc(-n2cccn2)nc1)N(Cc1ccccn1)C[C@@H]1CCCO1 19663862 HMZSQMAUQVRXQG-SFHVURJKSA-N 363.421 2.484 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3ccoc3Br)C[C@@H](C)O2)n1 628863559 ZVLQCKDIYOCQQM-GMSGAONNSA-N 356.176 2.336 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(CC(N)=O)cs1 10999948 IDXVUTAYIWGWGV-UHFFFAOYSA-N 358.427 2.057 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 17297150 OFQOQJXKTIKIMN-KRWDZBQOSA-N 358.438 2.354 0 40 FEAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCOCC2)c1 23157883 JHVYKKQAAJZRIN-AWEZNQCLSA-N 360.439 2.235 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(c3nc4ccsc4c(=O)n3C)C2)nc1 2086881948 IXNLHJXEWIOEJO-ZDUSSCGKSA-N 370.482 2.199 0 40 FEAB Cc1nnsc1C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 36705668 OQPIIXMQEGGDJG-MRVPVSSYSA-N 374.451 2.368 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225636276 WYXDCMMDBTZZEQ-MRXNPFEDSA-N 371.393 2.060 0 40 FEAB CCOC(=O)c1s/c(=N\C(=O)c2ccc3c(c2)OCCO3)n(C)c1C 4194664 JAHFSCZOGLVHPZ-ZCXUNETKSA-N 362.407 2.084 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)n1 40121561 PVGPGLIKYPVPPY-WMLDXEAASA-N 372.469 2.398 0 40 FEAB COc1ccc(OC)c(CNC(=O)NC[C@H]2COc3ccccc3O2)c1 31033902 AMFGINSBHSYIEX-HNNXBMFYSA-N 358.394 2.343 0 40 FEAB CN(CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cnccn1 58713596 OXPLATAOOYFICT-UHFFFAOYSA-N 365.389 2.251 0 40 FEAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)N3CCNC3=O)nc21 7187599 ITDZMWVHJZGAER-JTQLQIEISA-N 370.438 2.032 0 40 FEAB CCCOc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 10927490 QETAZHFBRDQCBF-UHFFFAOYSA-N 373.409 2.147 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCC1 1346820 UZDAJLKNSRKDQO-LLVKDONJSA-N 360.410 2.400 0 40 FEAB CCc1cccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OC)c1 31618239 KDFKSFQOPZWAOV-UHFFFAOYSA-N 361.423 2.158 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 8559281 POPDQGVSGBNWHS-SECBINFHSA-N 369.303 2.136 0 40 FEAB COc1ccc(OC)c(CNC(=O)C[C@H]2Oc3ccccc3NC2=O)c1 32909904 ZATSBOVADXSZKY-QGZVFWFLSA-N 356.378 2.110 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(CCc2ccccn2)CC1 21786933 UQMUUMHAXNSOSG-MRXNPFEDSA-N 357.429 2.375 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)cc1 7361831 CDMZCKAHZDKHSA-UHFFFAOYSA-N 351.380 2.268 0 40 FEAB COc1ccc(OC)c(CCNS(=O)(=O)c2ccccc2OC)c1 53690727 DLTADXMDZKFWPV-UHFFFAOYSA-N 351.424 2.233 0 40 FEAB O=C(O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8391789 BJUSTMVNHZAMDR-UHFFFAOYSA-N 373.368 2.498 0 40 FEAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccncc1 24955114 QCTLNEDWXPDXOR-UHFFFAOYSA-N 354.435 2.117 0 40 FEAB NC(=O)CN1CCCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 54389055 FGSYCEUAXREQNC-UHFFFAOYSA-N 367.478 2.356 0 40 FEAB O=C(COc1ccc(Cl)cc1Cl)NCCCn1ncccc1=O 23137371 ZZBXEVDEGUGJQI-UHFFFAOYSA-N 356.209 2.135 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24799657 YPTHTYQDWZLJOE-KBPBESRZSA-N 367.405 2.173 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCCc1ccc(OC)cc1 106110730 GPAFMBNSVUMKLE-WDSOQIARSA-N 374.481 2.160 0 40 FEAB NC(=O)CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 58530836 ZUMRDIAURFMWRA-HNNXBMFYSA-N 355.369 2.160 0 40 FEAB C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1cccc(C(F)(F)F)c1 106516468 ODSVMXOORVTOHS-ZDUSSCGKSA-N 358.408 2.141 0 40 FEAB CC(=O)Nc1cc(NCC(=O)NC(=O)NCc2ccccc2)ccc1F 24363463 FNYGUNCYZKQKSF-UHFFFAOYSA-N 358.373 2.222 0 40 FEAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 25653201 KUYWWNRDAPOQTG-KRWDZBQOSA-N 350.484 2.245 0 40 FEAB Cn1nc(C(=O)NCCCOCc2ccccc2)c2ccccc2c1=O 25769627 JAIZWOYXBMJGPX-UHFFFAOYSA-N 351.406 2.270 0 40 FEAB CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 56638796 FSPORRWPEAJJKG-LBPRGKRZSA-N 357.863 2.025 0 40 FEAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 108169588 IKCNNFCESGIBMU-HZMBPMFUSA-N 373.858 2.380 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 58218947 HEVWUQIYDDSZAK-MRXNPFEDSA-N 355.438 2.233 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cccn3)CC2)cc1Cl 58224597 SAMOAECBCAASPT-UHFFFAOYSA-N 361.833 2.221 0 40 FEAB COCCNC(=O)CCNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 58309634 SFLZGCWVWGXVQB-UHFFFAOYSA-N 372.469 2.210 0 40 FEAB O=C(CNc1ccc(Br)c(C(F)(F)F)c1)N1CCNC1=O 12633436 ZIMKTESSJUIVPN-UHFFFAOYSA-N 366.137 2.432 0 40 FEAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc(F)c(F)c1F 48332321 PXMUZFHKBHEBRX-UHFFFAOYSA-N 368.340 2.163 0 40 FEAB COc1cc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc(OC)c1OC 12924463 JZSADRNLELOOEA-GTNSWQLSSA-N 366.439 2.105 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 12997028 UNCFSCGJOPWBSE-LLVKDONJSA-N 354.453 2.314 0 40 FEAB C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 16418469 MXFNUQAKZGRAQH-WDEREUQCSA-N 357.815 2.159 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc3ccccn13)OCO2 8275582 YFQDGGRSIXZVKQ-UHFFFAOYSA-N 370.390 2.391 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1CCCO1 14141977 IVGQMVCMNBJARR-KRWDZBQOSA-N 368.389 2.463 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1OC 14188944 JEJUWGBDLSRLGT-HNNXBMFYSA-N 373.405 2.227 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 14160219 LESBGFBBGOQSKP-UHFFFAOYSA-N 364.492 2.457 0 40 FEAB CC(=O)c1sc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)nc1C 6606500 BGPDCWYWGPWALF-UHFFFAOYSA-N 356.407 2.462 0 40 FEAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 8492711 ISFIDVYFINZOTR-GFCCVEGCSA-N 354.410 2.324 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccccc2O1 14820704 JEAPKRCDCUFERX-KRWDZBQOSA-N 365.389 2.112 0 40 FEAB O=C(CN1CCc2sccc2C1)Nc1cc(C(F)(F)F)c[nH]c1=O 58811318 PPBGNLSTOWOEMW-UHFFFAOYSA-N 357.357 2.452 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 8775981 SYDTVWDROCJDTC-UHFFFAOYSA-N 358.379 2.162 0 40 FEAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N(Cc3ccco3)C2=O)cc1 9048567 YWQNTNNNLBRWTO-HNNXBMFYSA-N 357.366 2.332 0 40 FEAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc21 71853342 ROGATRCTHFTEQX-OAHLLOKOSA-N 353.426 2.453 0 40 FEAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1N 9221006 DPMILYIGQYZALJ-UHFFFAOYSA-N 367.405 2.500 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 9885415 GLPNXCGNWHAAQF-GFCCVEGCSA-N 368.231 2.417 0 40 FEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nnc(C)s1 28248413 NYBHZPUBADZYTH-UHFFFAOYSA-N 356.429 2.004 0 40 FEAB CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)CCS1 72305253 UVPAALIPRJUGQY-ZFWWWQNUSA-N 370.540 2.491 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@](C)(C(N)=O)c2ccccc2)cc1Cl 84656419 ZTQGDUCGHRTESS-MRXNPFEDSA-N 368.842 2.028 0 40 FEAB COc1cc(/C=C/C(=O)NC2(CCO)CCOCC2)ccc1OC(F)F 95997294 XTSJAJVPAGZPRA-HWKANZROSA-N 371.380 2.358 0 40 FEAB Cc1nnccc1C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 89272619 YGZDYGBHYVASIS-CQSZACIVSA-N 364.327 2.117 0 40 FEAB C[C@H](Sc1nncn1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 9905269 YUQXVMYALLJATN-AWEZNQCLSA-N 357.483 2.442 0 40 FEAB CCCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O 409242061 UGVRATKNYWFFPM-NTEUORMPSA-N 364.423 2.396 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 35311571 MZGSRJKLQJEMBE-GJZGRUSLSA-N 367.515 2.434 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408600677 BXZQTZXDIBJBMF-UHFFFAOYSA-N 354.472 2.156 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306129187 HWYVWXVCMJCVPC-CYBMUJFWSA-N 373.384 2.396 0 40 FEAB O=C(O)CCC(=O)CCc1ccc(S(=O)(=O)Nc2nccs2)cc1 216645581 XMQHXZRWVDNESS-UHFFFAOYSA-N 368.436 2.310 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1-n1ccnc1 30855314 OPMIAJZMURPDRV-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCN1CCOCC1 219464729 YTGYTIDXXZKDHS-UHFFFAOYSA-N 367.449 2.029 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 40104180 UJIFEEOTYIXGBP-UHFFFAOYSA-N 357.313 2.314 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cnccn2)C1 225469785 FZFCQOOEFLWFOM-CSPWOOARSA-N 353.378 2.289 0 40 FEAB CN(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1 225656433 MQAVDNMJNCCEQJ-UHFFFAOYSA-N 370.540 2.489 0 40 FEAB COc1cc(NC(=O)c2cc(N3CCOCC3)on2)c(OC)cc1Cl 224081359 SWMITLYNHCFRQA-UHFFFAOYSA-N 367.789 2.434 0 40 FEAB O=S(=O)(C1CC1)N1CCC2(CC1)CCn1c(-c3cccnc3)cnc12 96263413 FPXVMCGCSGVZKV-UHFFFAOYSA-N 358.467 2.175 0 40 FEAB COc1cccc(CC(=O)N2CCc3ncnc(NC(C)C)c3CC2)c1 96255551 ZJBOZKFQLWCBTE-UHFFFAOYSA-N 354.454 2.475 0 40 FEAB O=C(NCc1cccnc1)[C@H]1CN(CC2CCOCC2)Cc2cccn2C1 247507194 RVJKDJATTMCLDH-IBGZPJMESA-N 368.481 2.058 0 40 FEAB Oc1cc(CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)ncn1 257250692 JNOHDZCSETYMBJ-ZDUSSCGKSA-N 354.332 2.434 0 40 FEAB CCOc1ncccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 585138590 JNEFDFIIAURTHO-MRXNPFEDSA-N 367.413 2.117 0 40 FEAB CC(C)CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@@H]1Cc1ccccc1 257320808 VYTIYNKZRQRMTG-SFHVURJKSA-N 357.498 2.054 0 40 FEAB Cc1nonc1CC(=O)N(C)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257259597 KZAYAAFUPNKLEP-ZHALLVOQSA-N 359.426 2.130 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCO[C@H](CCc2ccncn2)C1 257228623 FUPJMTTVJWDRES-GOSISDBHSA-N 355.438 2.196 0 40 FEAB COc1ccccc1-c1cc(NC(=O)[C@H](C(C)C)N2CCCC2=O)n[nH]1 591449135 NEHBRGTVJFMOBN-SFHVURJKSA-N 356.426 2.671 0 40 FEAB COC[C@]1(C(=O)O)CCN(C(=O)NCCc2cn(C)c3cc(C)ccc23)C1 635514731 MOHUQPFCCAPJRN-FQEVSTJZSA-N 373.453 2.162 0 40 FEAB CC1(C)C(c2cc(NC(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)n[nH]2)C1(C)C 646533594 UFPRVZULCQWLTM-UYHHGJEOSA-N 360.502 3.030 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N3CC(C)(C)O[C@]4(CCOC4)C3)cc12 684681522 KWNLUSWCIYXORJ-GOSISDBHSA-N 359.430 2.079 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)O)cn1)C1CCN(CC(F)(F)F)CC1 647741584 VTUUVJYGMVZRCW-JTQLQIEISA-N 359.348 2.172 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C 585096388 LEPBKVGVOGLVBG-BZPMIXESSA-N 358.467 2.434 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)C1CC(F)C1 585096500 QYDRQLCBPRFAGB-HIFPTAJRSA-N 360.389 2.057 0 40 FEAB COC(=O)c1oc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1C 95948926 VQGZCJQIWUCUOH-UHFFFAOYSA-N 360.385 2.472 0 40 FEAB CC(C)NC(=O)Nc1ccc(C(=O)NCCc2nnc3n2CCCC3)cc1 96012139 SFEIONZYZZFFIO-UHFFFAOYSA-N 370.457 2.117 0 40 FEAB CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCC/C=C/1C(=O)OC 5105737 DVEZQQPWLQWKCS-FUNAXGEOSA-N 354.399 2.122 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1c1ccc(F)cc1 12116051 YFEZERWLDYBJBP-CVEARBPZSA-N 371.412 2.456 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)cc1OC 12156124 OKEGBOYPNHTILR-UHFFFAOYSA-N 357.410 2.172 0 40 FEAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12786903 QPJMLFIFVKFPNQ-UHFFFAOYSA-N 355.350 2.050 0 40 FEAB Cc1cnc(C(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cn1 19239005 RHQMITFGGYNVRT-UHFFFAOYSA-N 364.453 2.177 0 40 FEAB CC(C)n1c(=O)n(CC(=O)Nc2ccc3c(c2)COC3=O)c2cccnc21 19454700 LIIBYOZJWZGNSY-UHFFFAOYSA-N 366.377 2.088 0 40 FEAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3nonc3N)cc2)C1 19711830 MMIBTZLROVLZEJ-CABCVRRESA-N 359.430 2.466 0 40 FEAB Cc1cnc2c(C(=O)N3CCC[C@@](C)(C(=O)NC4CCCC4)C3)cnn2c1 19746680 GBGAFQOCKQUDBF-HXUWFJFHSA-N 369.469 2.339 0 40 FEAB COc1ccnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888897178 CTVXJUFMZBXBPH-UHFFFAOYSA-N 367.457 2.152 0 40 FEAB COc1cc(C(=O)NCCc2cccs2)cc(Cl)c1OCC(N)=O 40032421 KWPOZRLFHGMZQR-UHFFFAOYSA-N 368.842 2.247 0 40 FEAB CC(C)(C)c1nccc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087126996 RKIMCEIDAUAPJJ-CYBMUJFWSA-N 368.428 2.237 0 40 FEAB CC(C)N1CCC[C@H]1C(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565554810 GBSISAILNVTXEG-IBGZPJMESA-N 365.481 2.339 0 40 FEAB CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940742 XLCIUVCCYYJFJL-GFCCVEGCSA-N 374.418 2.257 0 40 FEAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 5190023 CVVZSRXHQKIPQW-UHFFFAOYSA-N 361.354 2.288 0 40 FEAB Cn1/c(=N\C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(F)ccc21 11853044 WRKRLKPPPMHBNS-CZIZESTLSA-N 369.377 2.102 0 40 FEAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCC(C(N)=O)CC2)cc1 22609251 QVHAWSQZEAIBON-AWEZNQCLSA-N 371.466 2.092 0 40 FEAB O=C(Nc1ccccc1N1CCCC1)N1CCN(c2ncccn2)CC1 40103783 DFFYYBVVTFYQJY-UHFFFAOYSA-N 352.442 2.431 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)n3nc(N)c4ccccc43)ccc21 40150503 ALTRGMPCXOIVCS-UHFFFAOYSA-N 370.434 2.019 0 40 FEAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1 928680 FJHOZNRBOHUGDD-UHFFFAOYSA-N 371.422 2.497 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccccc1Cl 2438537 MQZDXXPAXQZQIW-CYBMUJFWSA-N 360.797 2.215 0 40 FEAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCc1ccco1 3602509 KJWWGTRDFKNJQM-UHFFFAOYSA-N 359.363 2.467 0 40 FEAB COc1ccccc1NC(=O)CSc1nc(=O)n2cc(C)ccc2n1 4499837 JYGQGCBWESVZKG-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1 6817955 GIEPFYDQJPSWST-UHFFFAOYSA-N 352.441 2.028 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(Cn2cnc3sccc3c2=O)n1 8403317 PIVFLFMPLJFVKF-UHFFFAOYSA-N 365.422 2.326 0 40 FEAB CCOC(=O)c1ccc(COC(=O)CCc2nc3ccccc3[nH]c2=O)o1 8582697 SGTQUPZGIHJJBN-UHFFFAOYSA-N 370.361 2.369 0 40 FEAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 8748609 NHOWEFKODFBCKJ-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccccc3F)C[C@H]1O2 107264580 VHYKJQHVLUHDMS-JENIJYKNSA-N 355.413 2.126 0 40 FEAB COc1cc(NC(=O)Cc2cccc(F)c2)ccc1NS(C)(=O)=O 32818596 ZNGYZWZPTGFORM-UHFFFAOYSA-N 352.387 2.387 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)CC1 53387367 GTXVILFHTORIEP-CQSZACIVSA-N 364.511 2.414 0 40 FEAB COc1cc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc(OC)c1OC 9926871 JCKNLZRHCWEJIB-ZDUSSCGKSA-N 372.377 2.441 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC 2626970 IGNGBYMICMKFLP-HXUWFJFHSA-N 368.389 2.354 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 53175998 LLTFBSOVBUBJRY-UHFFFAOYSA-N 368.861 2.417 0 40 FEAB C[C@@H](NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccccc1F 21895540 MOEXIMZLXQTXEL-GFCCVEGCSA-N 355.369 2.369 0 40 FEAB C[C@H]1CC(=O)NN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 104740633 QENSFGHYFJVNLB-YOEHRIQHSA-N 351.406 2.279 0 40 FEAB CCCCn1nc(C(=O)N[C@H](CC(=O)OC)c2ccc(C)cc2)ccc1=O 24489637 XUKGUPBRRDSWCB-QGZVFWFLSA-N 371.437 2.386 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NC[C@H]1CCN(c2ccccc2)C1 24816045 YMQMEVMNUDQXQA-OAHLLOKOSA-N 355.413 2.198 0 40 FEAB CC(=O)c1ccccc1OCCN1C(=O)N[C@@H](Cc2ccccc2)C1=O 24968410 QRFJNKSQXBBDIV-KRWDZBQOSA-N 352.390 2.431 0 40 FEAB COC(=O)c1ccc(OC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 55554074 NXFPOWQISMFEOS-UHFFFAOYSA-N 355.346 2.342 0 40 FEAB COc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)ccc1OC 55651057 UTIORMFOZAVNHJ-UHFFFAOYSA-N 351.380 2.227 0 40 FEAB COc1cc(CNCc2cccnc2)ccc1OCC(=O)N1CCCC1 25259171 IRRSMVIFAJWKOG-UHFFFAOYSA-N 355.438 2.381 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)cc1 20768495 AJKIXQFIYGAAGZ-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)C2)no1 108130897 NGPSEHLIPKBMFC-QAETUUGQSA-N 374.485 2.408 0 40 FEAB O=C(Nc1ccccn1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58208925 DEILYURBYOCFFO-HOTGVXAUSA-N 362.389 2.294 0 40 FEAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c12 58377915 CWGZFTQLCLSIEG-INIZCTEOSA-N 373.501 2.328 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 3399696 VNSIVDGOEACNRI-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB Cc1csc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1 48231360 YNHKKAKUJXZQBF-UHFFFAOYSA-N 358.398 2.375 0 40 FEAB CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)NC2CCCCCC2)s1 48365650 RKYCDAXHKJGCNI-NSHDSACASA-N 374.532 2.361 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1nc2ccccc2[nH]1 12821468 XJJQAUWHQZDKSE-UHFFFAOYSA-N 357.435 2.247 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1S(=O)(=O)N(C)C 12927821 GTVLDLKDSBIVKN-MRXNPFEDSA-N 374.462 2.363 0 40 FEAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C)s1 38535089 ACFYKQPADNMLPA-MRVPVSSYSA-N 361.456 2.156 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccco3)CS[C@H]21 4081905 UJTTYOZBRAIZAM-KPZWWZAWSA-N 374.418 2.183 0 40 FEAB biogenic C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 8274046 RNKMSOYMJCXKDM-CYBMUJFWSA-N 362.389 2.160 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 8704683 SIHSFTHUBWIBJA-FQEVSTJZSA-N 366.373 2.108 0 40 FEAB CNC(=O)c1ccc(CN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8704378 AMUPLDOLFDYSNI-UHFFFAOYSA-N 370.384 2.092 0 40 FEAB COc1ccc(C2=NO[C@H](CNC(=S)NCc3cccnc3)C2)cc1 5216012 MYXHFPJFZREMTC-INIZCTEOSA-N 356.451 2.248 0 40 FEAB O=C1O[C@H](C(=O)NCc2ccc(Cn3cccn3)cc2)Cc2ccccc21 14125001 XUEQORSEHYNICN-IBGZPJMESA-N 361.401 2.329 0 40 FEAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1CCOCC1 14183629 MNVQJKZGHJRHKX-CVEARBPZSA-N 361.486 2.318 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2ccc(Cn3cccn3)cc2)n1 14149865 ABGYSUYOZKYOHH-UHFFFAOYSA-N 356.407 2.492 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@H]2CCCc3ccccc32)c1 14237018 FWKOQZJLQDDQFC-KRWDZBQOSA-N 354.406 2.367 0 40 FEAB COc1ccc(CCN2CN(CCO)c3nc4ccccc4n3C2)cc1 6585817 FKSDLRSWKVUQSG-UHFFFAOYSA-N 352.438 2.317 0 40 FEAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2ccccc2n1 8704198 IUMGQBBMSCXWRH-SFHVURJKSA-N 350.374 2.455 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1Cl 17636174 CKNMTBYOXBJAJY-MRVPVSSYSA-N 352.637 2.019 0 40 FEAB COCCCn1c(S[C@@H](C)C(=O)NC2CC2)nc2ccccc2c1=O 5801752 RUCQKGRJCWZEIE-LBPRGKRZSA-N 361.467 2.192 0 40 FEAB CCCCNC(=O)c1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 408699741 YWKOOPKWOGZRAN-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB Cc1c(CCC(=O)N2CCC3(CC2)OCCO3)c(=O)oc2cc(O)ccc12 9183939 JHUAQPJGMKJBGI-UHFFFAOYSA-N 373.405 2.105 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9225903 AEHGTHWPTPMYOX-LSDHHAIUSA-N 368.499 2.319 0 40 FEAB CCOc1ccccc1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 9337857 RYXZVAPNZNXNPA-UHFFFAOYSA-N 373.800 2.120 0 40 FEAB CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)[C@H]1CCS(=O)(=O)C1 9495082 DGPIGBFVIYMQQF-INIZCTEOSA-N 361.463 2.500 0 40 FEAB COC[C@@H](O)CN1CCC(NCc2cccc(-c3ccccn3)c2)CC1 89801013 UOGPGRSCRIJQIX-FQEVSTJZSA-N 355.482 2.310 0 40 FEAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCCC1 72406245 LEXIHVYSGHEHGM-AWEZNQCLSA-N 364.877 2.183 0 40 FEAB Cc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Br 76101980 UDDGNRUGDZKQQM-JTQLQIEISA-N 361.261 2.314 0 40 FEAB Cn1ncc(Cl)c1-c1nn2c(-c3c(Cl)cnn3C)nnc2s1 95476430 IBEMHPULRRPHEL-UHFFFAOYSA-N 355.214 2.294 0 40 FEAB CC(C)(C)c1ccc(OCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 79002134 OYAXUAVSMGZWLS-AWEZNQCLSA-N 353.484 2.304 0 40 FEAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCc1ccccc1 38187907 SDDSXZZMSUONCO-HNNXBMFYSA-N 350.378 2.450 0 40 FEAB COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(OC)c1 31701025 MWYZRXKQCQAOOU-UHFFFAOYSA-N 371.345 2.074 0 40 FEAB Cc1ccccc1OCCCNC(=O)[C@@]1(C)CC(=O)N2C=CC=CC2=N1 35316637 VJYPUAPHUUXNFP-HXUWFJFHSA-N 353.422 2.353 0 40 FEAB O=C(O)/C(=C/c1cn(-c2ccccc2)nn1)S(=O)(=O)c1ccccc1 33552988 PBBDIIUJENNITD-WJDWOHSUSA-N 355.375 2.167 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)nn1C1CCCCC1 537388986 JPKJOZNSSYIHMK-INIZCTEOSA-N 359.474 2.327 0 40 FEAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)o1 72327411 HMUJNPGRFCLLOC-UONOGXRCSA-N 364.405 2.231 0 40 FEAB O=C(NCC1CC1)c1ccc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1 72374416 HKACZCOJKXIZFW-SFHVURJKSA-N 371.481 2.497 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1F 40013281 BUVQSVUAKALGIE-HNNXBMFYSA-N 362.430 2.324 0 40 FEAB CCSc1nnc(NS(=O)(=O)c2cc(OC)ccc2OC)s1 222973505 KAOTZGGWUURUKH-UHFFFAOYSA-N 361.470 2.468 0 40 FEAB c1nc(Nc2ccc3c(c2)OCCO3)c2cnn(C3CCNCC3)c2n1 228932322 DZPLFBHUXWOWGI-UHFFFAOYSA-N 352.398 2.266 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107568 IZLISJMXEKJEFC-KXBFYZLASA-N 357.385 2.458 0 40 FEAB COCCNC(=O)N1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96078862 DXONIGJQWGRSOC-UHFFFAOYSA-N 367.453 2.191 0 40 FEAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3Cl)C[C@H]1O2 96252890 CKGNKQQAUPEXGQ-TYNCELHUSA-N 351.834 2.486 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(CN)C(=O)O)cc1 252513878 ANFAEMZBMOTOPN-NUJGCVRESA-N 363.410 2.104 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)cc1 257209470 BQMXFKMPWTXNMQ-OAHLLOKOSA-N 354.454 2.481 0 40 FEAB CCOC(=O)CN(C)C(=O)CN1CCCN(C)c2ccc(Cl)cc21 533525504 DYPWQYQBLCBECM-UHFFFAOYSA-N 353.850 2.008 0 40 FEAB Cc1cccn2cc(CC(=O)N3CC4(CCCC4)OC[C@@H]3CN(C)C)nc12 620915194 DXAQIAWZEJFGEJ-SFHVURJKSA-N 370.497 2.287 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)cc1F 90612657 WITXDHVXKBWDPM-HNNXBMFYSA-N 374.368 2.041 0 40 FEAB Cc1nn(C)c(=O)c(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)c1C 648505499 LLMOMXWKDRSWQH-AWEZNQCLSA-N 351.410 2.455 0 40 FEAB O=C(NC1CC1)[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 575405120 RDJFUJKFUSNDIZ-TYUXRXASSA-N 368.481 2.261 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2cccnc2N)[C@H]1Cc1ccccc1 585278510 TXDQTOOBKDPBPY-ROUUACIJSA-N 352.438 2.016 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)cn1 585111575 CTXUGQKCYRGMMJ-SFHVURJKSA-N 371.489 2.023 0 40 FEAB Cc1c(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[nH]c2c1C(=O)CCC2 54016099 DVCFMQCJVGXQLC-ZDUSSCGKSA-N 353.426 2.031 0 40 FEAB O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2cccs2)cc1 54002898 VRCWXYPISJXIFA-HNNXBMFYSA-N 371.462 2.077 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(OC)ccc1OC 5082845 DMUNFNNYTPUFIP-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1C 5143813 CBHVUEKKYMSONN-UHFFFAOYSA-N 361.452 2.202 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2N)cc1 5993310 ALSNCWIAFWASJE-MRVPVSSYSA-N 373.360 2.333 0 40 FEAB CCCOc1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)nn1 11027444 KUUFXOWZZFYZGY-UHFFFAOYSA-N 374.416 2.132 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@@H]1c1ccccc1F 12143303 HNNOWTOEJRHOHD-SJORKVTESA-N 373.428 2.444 0 40 FEAB Cc1noc(C)c1-c1nc(N2CCC[C@H](O)C2)ncc1-c1cnccn1 12155800 VKJVOQUFPKQLEX-ZDUSSCGKSA-N 352.398 2.167 0 40 FEAB CCc1ccc(C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)cc1 12276670 USEGKTISBCXGST-UHFFFAOYSA-N 366.425 2.275 0 40 FEAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)s1 13569775 UDIDEKIWVALCJN-VDTYLAMSSA-N 370.283 2.471 0 40 FEAB Cc1nn2c(nc(N(C)[C@H]3CCS(=O)(=O)C3)c3ccccc32)c1Cl 14111211 LBIZXMPFWVKGQS-NSHDSACASA-N 364.858 2.468 0 40 FEAB Cc1n[nH]c(SCC(=O)Nc2ccc(I)cc2)n1 14152490 MKZSMOTTZXGYTD-UHFFFAOYSA-N 374.207 2.449 0 40 FEAB CCS(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12 17316695 LSIJTXSTEUPFBD-UHFFFAOYSA-N 350.469 2.248 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19078832 LCSSFCCCGUEILS-UGSOOPFHSA-N 370.428 2.392 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225716871 BEOHWBRANHJMHB-CYBMUJFWSA-N 367.471 2.220 0 40 FEAB CO[C@@H]1CN(C(=O)COc2cc(C)ccc2C(C)C)C[C@H]1c1cnn[nH]1 622170251 SMSSLCPKZDNUPM-MAUKXSAKSA-N 358.442 2.256 0 40 FEAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCCCCC3)n2)c1 5409535 WDWWQCAYAHSHKW-UHFFFAOYSA-N 371.437 2.330 0 40 FEAB Clc1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888888265 GTJUBVIVPQFNCJ-NSHDSACASA-N 371.832 2.350 0 40 FEAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888914265 QAGZOJZTWADHLZ-SOUVJXGZSA-N 358.438 2.125 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1cccc(Br)c1 12776506 ALOPWLMHZORILB-UHFFFAOYSA-N 359.289 2.354 0 40 FEAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc3ncccn23)CC1 2037834952 LGOCJOHMQYLYLU-HNNXBMFYSA-N 350.426 2.377 0 40 FEAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c1C 4479204 NGVYYXDQEIYLIS-UHFFFAOYSA-N 365.437 2.258 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1C 4585935 VOJFRNNOYIQCDO-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccc(F)cc1F 11745230 AMKVZZDVDWQCMN-UHFFFAOYSA-N 371.347 2.405 0 40 FEAB COc1cccc(NC2(C(=O)NC3CC3)CCN(Cc3cn[nH]c3)CC2)c1 2055750537 BCRIUZSLDQFEGC-UHFFFAOYSA-N 369.469 2.144 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907373 PLHRCNKOBKBMAG-KRWDZBQOSA-N 355.438 2.020 0 40 FEAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967249 JVBOKTPVFZEODW-INIZCTEOSA-N 355.438 2.094 0 40 FEAB Cc1nc2ccccc2nc1N1CCCN(c2ccc3nnc(C)n3n2)CC1 1775967073 DNXARAPQPDSFLV-UHFFFAOYSA-N 374.452 2.401 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn([C@@H]2CCOC2)c1 211124818 WNQLSUQIPOOKRJ-ZIAGYGMSSA-N 350.419 2.183 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H](c3ccccc3)C(C)(C)C)cnc21 40090454 BKNWLUPVQPMOHL-KRWDZBQOSA-N 367.453 2.424 0 40 FEAB Cc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C 40087731 ZFFYGRZJMZFBPZ-HUUCEWRRSA-N 356.470 2.268 0 40 FEAB Cc1oc(C(=O)N[C@@H](C)c2ccncc2)cc1S(=O)(=O)N1CCCC1 40130230 PAVGDCPJUDCLHZ-LBPRGKRZSA-N 363.439 2.259 0 40 FEAB CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)o1)[C@@H]1CCc2ccccc21 30572227 UCKILVFKUDXRQF-OAHLLOKOSA-N 360.435 2.480 0 40 FEAB COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 20103357 SCRQZRMXWZGISX-HNNXBMFYSA-N 366.377 2.229 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)Nc2ccc3c(c2)OCO3)c1 11009301 NEBCIRLSQKUYKK-UHFFFAOYSA-N 363.395 2.109 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1cccn1 28793873 OKIUGSZTSZWYSJ-MRXNPFEDSA-N 362.433 2.366 0 40 FEAB COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)cc1NC(C)=O 4241521 HMBGZUOVQQJXEN-LLVKDONJSA-N 356.444 2.225 0 40 FEAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccco2)CC1 32097234 BDGJTMNNFDMQOH-KRWDZBQOSA-N 353.378 2.345 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCC(=O)O 6951180 OGEYKQUZCRJEIJ-IZZDOVSWSA-N 368.773 2.115 0 40 FEAB O=C(COc1ccc(F)c(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 7126432 VLODGDAMXSJBAA-UHFFFAOYSA-N 369.780 2.144 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 102422971 LTWTUHJVHMNYHC-BQFCYCMXSA-N 360.479 2.040 0 40 FEAB CCn1c(=O)n(CC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c2ccccc21 75094488 CSXLVBXKNQXEPO-INIZCTEOSA-N 373.453 2.156 0 40 FEAB COc1ccc(C)cc1NC(=O)CNc1cccc(-n2nnnc2C)c1 29686825 CKULYSVCWINHRD-UHFFFAOYSA-N 352.398 2.338 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CNC[C@@H]2COc3ccccc3O2)c1 2639312 KVZPZSCYPJCPEG-SJLPKXTDSA-N 357.406 2.059 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccc2ccccc2c1 103064000 YERNBHHNAYYKPD-QGZVKYPTSA-N 360.413 2.263 0 40 FEAB CCN(CC)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 2651199 JCWVMPFAMAAWBF-UHFFFAOYSA-N 351.410 2.276 0 40 FEAB CCCN1CCC(N(C)C(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 60404632 VRWGAMOHEHWSNC-UHFFFAOYSA-N 361.486 2.465 0 40 FEAB CCSc1nnc(C(F)F)n1NC(=O)Cn1cc(Cl)c(C)n1 2792576 RHRDTJFFIDLKOV-UHFFFAOYSA-N 350.782 2.256 0 40 FEAB Cc1ccc(N2C(=O)c3sc4nc5c(c(=O)n4c3C2=O)CCC5)cc1 946906 IVUXXHXSVKFORB-UHFFFAOYSA-N 351.387 2.354 0 40 FEAB Cc1c(C(=O)OCc2nnsc2Cl)sc2ncn(C)c(=O)c12 23230606 IIXWZYQLCVWYRU-UHFFFAOYSA-N 356.816 2.165 0 40 FEAB CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc3c(cc21)OCO3 12324615 XNNIMQXOZBCOHM-UHFFFAOYSA-N 351.362 2.075 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12558647 UUZFZMQKEXJTOV-CWSCBRNRSA-N 366.723 2.124 0 40 FEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 108904840 MGTKHQAUNWVZTJ-ULQDDVLXSA-N 362.495 2.346 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 2171070 DTGAWPFCSNMFGI-UHFFFAOYSA-N 360.435 2.171 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)N1C[C@@H](C)O[C@H](C)C1 58265462 SBYYRAXEEKWANK-RKVPGOIHSA-N 374.485 2.289 0 40 FEAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(Cc2ccsc2)CC1 48277518 UZJYUDAAONKYKM-UHFFFAOYSA-N 372.494 2.270 0 40 FEAB C[C@H]1C[C@@H](N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C(=O)O1 12803860 UYSJZWLQQJLALW-XJKSGUPXSA-N 350.374 2.186 0 40 FEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12877676 IYNRZAVBTGJWDI-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460165 OVAUOSKWLGDTOI-HXUWFJFHSA-N 351.406 2.112 0 40 FEAB CCc1nnsc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 12973037 BRPAYPBMFZSDDZ-UHFFFAOYSA-N 360.487 2.285 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38833316 RAJFWFFCXAYEOK-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]c1=O 4198233 UMHQGIGLARXNFZ-UHFFFAOYSA-N 354.863 2.086 0 40 FEAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)C(C)(C)C)ccc21 13722551 CQRWIIIKUDOUAE-OAHLLOKOSA-N 358.442 2.353 0 40 FEAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1 13744504 KDAJNXBEMNPAGC-UHFFFAOYSA-N 368.393 2.385 0 40 FEAB CN(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)C1CCCCC1 8667958 USRGJRSUUOJJTH-UHFFFAOYSA-N 372.421 2.007 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1C 14241469 HSZKUYMFAPDBST-QGZVFWFLSA-N 362.495 2.493 0 40 FEAB Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)S2 9238506 PSAHCCLMHRBHCL-GJZGRUSLSA-N 373.413 2.394 0 40 FEAB O=C(NCc1cn2ccccc2n1)C1CCN(C(=O)c2ccco2)CC1 8725208 NZAVFQUKBHHXTA-UHFFFAOYSA-N 352.394 2.096 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nncn1-c1ccccc1 6867195 QWNUJEPTLHIMNB-UHFFFAOYSA-N 359.436 2.159 0 40 FEAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12 8916628 RXSFMPBURQSOHO-OAQYLSRUSA-N 360.369 2.489 0 40 FEAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 92772272 FVOCQSVKYKMZGK-AWEZNQCLSA-N 366.414 2.240 0 40 FEAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(N)(=O)=O)c1 7619343 QVTPILGSJYFKLT-ZDUSSCGKSA-N 359.451 2.114 0 40 FEAB CC(C)NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2)s1 7733768 GCTULJQQRBOGQW-UHFFFAOYSA-N 365.484 2.015 0 40 FEAB CC(C)(O)[C@@H]1CCCN1Cc1nnnn1-c1ccccc1Br 89761627 WJMIZWOHVQJICW-ZDUSSCGKSA-N 366.263 2.160 0 40 FEAB Cc1cc(C)n(C[C@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 84102248 UNYCXXXSLPQXQW-GOEBONIOSA-N 370.453 2.209 0 40 FEAB CCN(C(=O)CN1CCN(C(=O)OC)CC1)[C@@H](C)c1ccc(F)cc1 97493366 NMUYYLUXVUQLSQ-AWEZNQCLSA-N 351.422 2.119 0 40 FEAB CCOC(=O)CN1C(=O)[C@]2(CCN(CC(F)(F)F)C2)c2ccccc21 97673633 IPBLJGNZWVAFDT-INIZCTEOSA-N 356.344 2.102 0 40 FEAB O=C(CN1CCN(CC(F)(F)F)CC1)N[C@@H]1CCCc2ccccc21 95469881 BSDFWCBNWFFVGP-MRXNPFEDSA-N 355.404 2.360 0 40 FEAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 85877582 RMAGJYOIAKOSKZ-HNNXBMFYSA-N 350.378 2.217 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)NC3CCCCC3)C2=O)cc1 23055031 AFNMERMVRXWPPV-GOSISDBHSA-N 360.414 2.009 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2[C@@H](CCOCc2cccnc2)C1 306122949 AAFVADYZBUAQOI-KRWDZBQOSA-N 367.409 2.379 0 40 FEAB CS(=O)(=O)N(CC(N)=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 33746598 ZUFHZJZMOLSYHZ-UHFFFAOYSA-N 362.495 2.406 0 40 FEAB O=C(O)[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428845 CEIGEEVEAUKEIG-VYDXJSESSA-N 366.822 2.343 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 408594165 SQQWTSQJLKCGHW-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1cnn(C(F)F)c1C 36614590 VMMHJKOXTXXPJY-UHFFFAOYSA-N 361.418 2.322 0 40 FEAB COc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC 30855318 ARLUXNCKNQAQGV-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 72326960 AZYLCOQHARWZNX-LJQHDNKASA-N 370.497 2.042 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)n1 225403372 OZJLIMWKXZANJH-OAHLLOKOSA-N 351.410 2.317 0 40 FEAB CCOC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)Cc1ccccc1)C2 96039382 ZZVCHSPHACEVHK-MSOLQXFVSA-N 353.484 2.424 0 40 FEAB COCCN1CC2(CCN(Cc3ccsc3)CC2)[C@H](COC)C1=O 96208249 JBCGCMWFEGSTGQ-MRXNPFEDSA-N 352.500 2.082 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2=O)c1 96050697 IYXPJMJEEUICMK-OAQYLSRUSA-N 372.465 2.073 0 40 FEAB COc1ccc(NCc2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 95533829 DGJAOJAGIJOPKI-SFHVURJKSA-N 369.425 2.491 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)nc(O)c2C1 248095311 XKWJJBLKOGPMKN-HUUCEWRRSA-N 356.470 2.232 0 40 FEAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 243444512 NDTRRZIDKHDDAU-INIZCTEOSA-N 350.846 2.487 0 40 FEAB Cc1c(CCC(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cnn1C 257242897 IEQKMGFYCKYVHW-IBGZPJMESA-N 357.458 2.183 0 40 FEAB CCO[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2ccnn2C1 253382789 JHIBQIQMWIMKGB-MRXNPFEDSA-N 357.410 2.106 0 40 FEAB COc1ccc(CNC(=O)c2ccnc(OCC3CCOCC3)c2)cn1 253470889 AEBPHHKWDKAWJH-UHFFFAOYSA-N 357.410 2.221 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)COc2ccccc2F)n1 257213739 CIWUFEOGHXPRMW-MRXNPFEDSA-N 358.417 2.420 0 40 FEAB Cn1cc([C@@H]2CNC[C@H]2C(=O)NCc2csc(C(F)(F)F)c2)cn1 638727779 GHDHLKJEWJMQBJ-NWDGAFQWSA-N 358.389 2.120 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(Cc2cccc3cccnc23)C1 643723694 ZWNAPONLKLVLEA-IBGZPJMESA-N 351.410 2.164 0 40 FEAB CN(CCC1CCOCC1)c1nc(-c2ccncc2)nc2c1CCNC2 71764211 HHUDTRGXGXAEIF-UHFFFAOYSA-N 353.470 2.437 0 40 FEAB CCN(C)C[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)CO1 585104142 LVXWYKQANAUDKP-MRXNPFEDSA-N 352.500 2.198 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cccnc2N2CCCC2)c1 47225893 KEEXJQWKUZSXKL-UHFFFAOYSA-N 359.451 2.479 0 40 FEAB COC(=O)NCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 61508337 KMGZGXQFTFZTFQ-UHFFFAOYSA-N 352.394 2.057 0 40 FEAB CCc1ccc(S(=O)(=O)Nc2cc(C)nc(N3CCOCC3)n2)s1 95944120 VUWWHAZDNLPZOH-UHFFFAOYSA-N 368.484 2.046 0 40 FEAB CCN1OC[C@H](N2CCN(C(=O)c3sc4ccccc4c3C)CC2)C1=O 659945751 CRZOAWUZJXOINP-HNNXBMFYSA-N 373.478 2.130 0 40 FEAB CCCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 13002849 MHYSYYXGTKZGOS-AMKSKSKJSA-N 354.428 2.006 0 40 FEAB biogenic COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 19564440 HORDJKVFCWSOIU-HNNXBMFYSA-N 352.438 2.151 0 40 FEAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 607916957 SZIMKIVQHBLVKW-HZPDHXFCSA-N 369.469 2.022 0 40 FEAB CN(C)c1ccccc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 527901129 QOALUXIETKUSNZ-UHFFFAOYSA-N 353.422 2.477 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)C1 630284137 VTUPITCESNVUKG-VGWMRTNUSA-N 364.486 2.373 0 40 FEAB Cc1nc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)cc(C(F)(F)F)n1 1888834316 BPSRUNMIVZBACR-GFCCVEGCSA-N 358.364 2.022 0 40 FEAB C[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@H]2N1c1nccc(C(F)(F)F)n1 1888842573 NYYGMAKKCNVIOZ-IJLUTSLNSA-N 350.348 2.389 0 40 FEAB Cc1ccccc1CC(=O)N1C[C@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888870146 GUNJLYBYBDVLBQ-HOTGVXAUSA-N 370.428 2.075 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)c4cc(C)on4)CC3)ccc2n1 1888882120 CVZZKAMVQYKSEO-UHFFFAOYSA-N 355.398 2.265 0 40 FEAB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncnc2c1cnn2C 1121006908 OESCFKSIIYKXLX-UHFFFAOYSA-N 360.462 2.447 0 40 FEAB CC(C)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 26233647 AHQRCMJGYIJJDK-HNNXBMFYSA-N 360.907 2.365 0 40 FEAB Cn1nc(C(=O)O)cc1C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 630215485 NCQROSWNYHUJNY-HZPDHXFCSA-N 357.410 2.232 0 40 FEAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 5269099 SAUQJDXUZQSBBS-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(F)cc1 9036334 KUEXXKAVLRMWKB-GFCCVEGCSA-N 366.389 2.296 0 40 FEAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(Cc3ccco3)cc2n(C)c1=O 12323085 XQXUHTDQBASHJQ-UHFFFAOYSA-N 353.353 2.486 0 40 FEAB COCCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[nH]c1=O 20102266 XBINXXWPDQKSQN-UHFFFAOYSA-N 355.398 2.271 0 40 FEAB Cc1csc2c(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)ncnc12 2086889750 WOLQSVLUHICOLY-GFCCVEGCSA-N 366.512 2.393 0 40 FEAB CN([C@H]1CCCN(Cc2csc(C3CC3)n2)C1)S(=O)(=O)C1CC1 2086889166 IUBYAXSUEZYKFY-AWEZNQCLSA-N 355.529 2.409 0 40 FEAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1Br 225632625 MHOIZEZUTWQICW-JSGCOSHPSA-N 370.243 2.171 0 40 FEAB COc1cccc(OCC(=O)N2CCC[C@H](Oc3ccnc(C)n3)C2)c1 575609847 QSMHEWKJUJYEOY-KRWDZBQOSA-N 357.410 2.242 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)C3CC3)c2N)cc1 19558714 XTFCJOPRVQGQSG-MRXNPFEDSA-N 354.410 2.047 0 40 FEAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)Nc1ccc2c(c1)CCC2 30587935 OZMOGOKGECGSIM-UHFFFAOYSA-N 371.462 2.362 0 40 FEAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccccc2F)cc1F 36392279 DQZRYPKIVCBSRP-UHFFFAOYSA-N 354.378 2.445 0 40 FEAB Cc1nn(C)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 10953280 JXMWMKIORRMKHC-UHFFFAOYSA-N 367.308 2.154 0 40 FEAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1Cc2ccccc2O1 31582151 AXJKZJGJAJSDEO-SFHVURJKSA-N 354.406 2.486 0 40 FEAB N=c1c2nc(-c3ccc(Cl)cc3)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100914765 YKFRKMWHVRIKKB-UHFFFAOYSA-N 365.780 2.202 0 40 FEAB CCC[C@@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975983 ABQWWDQYHLPSSF-GRYCIOLGSA-N 354.476 2.264 0 40 FEAB CCc1nc(CNC(=O)c2ccccc2I)no1 6169027 UNRGKOQDQPYAJG-UHFFFAOYSA-N 357.151 2.167 0 40 FEAB CCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 6946313 CUGZCMXCWMSOAZ-NSHDSACASA-N 362.879 2.419 0 40 FEAB CCCC(=O)N1CCC[C@H](C(=O)NC2CCN(CCOC(C)C)CC2)C1 75092040 FHHBVEPYFITXKU-KRWDZBQOSA-N 367.534 2.031 0 40 FEAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccccc1F 8732500 FTDYLYAKUKVXJE-GFCCVEGCSA-N 372.352 2.281 0 40 FEAB COc1ccc(OC)c(N2C[C@H](C(=O)NCCc3cccs3)CC2=O)c1 32795016 KUJVXISQNNLGER-CYBMUJFWSA-N 374.462 2.477 0 40 FEAB CCCn1nc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)ccc1=O 36764132 KVIZATODRJVOIK-UHFFFAOYSA-N 352.398 2.103 0 40 FEAB C[C@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccc(Cl)cc1 32824311 SCFVLLYINAAZGM-NSHDSACASA-N 370.858 2.447 0 40 FEAB CN(CCCOc1ccccc1)Cc1ccc(S(=O)(=O)N(C)C)o1 52640174 IKXKEFSXKLBJPJ-UHFFFAOYSA-N 352.456 2.431 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc21 102950250 NTOOLKXDSWDFJL-OKILXGFUSA-N 366.421 2.336 0 40 FEAB CCn1nnc2cc(C(=O)N(C)Cc3cc(C(=O)OC)c(C)o3)ccc21 21966064 QEUQGDWOFYCRNL-UHFFFAOYSA-N 356.382 2.411 0 40 FEAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 105216321 WILIVLNMUBRNBN-BGZHZEKZSA-N 374.433 2.398 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)s3)CCO2)cn1 75107465 LKSRTHNNJNZVIN-JTQLQIEISA-N 356.245 2.458 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]1O2 107264495 TXXSTDGSRJRIQF-GBESFXJTSA-N 355.413 2.126 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCN1CCN(CC(F)(F)F)CC1 54171013 FOSMAGYNLAJTAS-UHFFFAOYSA-N 369.387 2.243 0 40 FEAB Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)[nH]c2c1C(=O)CCC2 23605961 KLNNDCHAMIREDP-UHFFFAOYSA-N 364.405 2.351 0 40 FEAB COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1OCc1cccnc1 105471338 KFFPJOMFZOSJDY-GOSISDBHSA-N 357.454 2.089 0 40 FEAB CC(=O)NCc1ccc(C(=O)COC(=O)c2sc(C)nc2C)s1 24847754 OPAPPXPZKMHKMO-UHFFFAOYSA-N 352.437 2.497 0 40 FEAB C[C@H]1CN(Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@H](C)O1 55869920 YXYSJSRRAMGIAV-STQMWFEESA-N 359.392 2.386 0 40 FEAB CN(c1ccccc1)c1ccccc1C(=O)NCCC(=O)N1CCOCC1 56677019 GBBMLRXGDJVDAD-UHFFFAOYSA-N 367.449 2.433 0 40 FEAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 57463161 AQZLDJWNNSHLPH-OAHLLOKOSA-N 374.466 2.082 0 40 FEAB Cc1ccc(Nc2nc(N)nc(CSc3nnnn3C(C)C)n2)cc1 12534127 DBNMEKPQICHROD-UHFFFAOYSA-N 357.447 2.366 0 40 FEAB C[C@@H](C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)S(C)(=O)=O 58218058 RNQFPLDRHVNCAM-NSHDSACASA-N 352.387 2.062 0 40 FEAB Cc1ccc(NCc2nnnn2-c2ccccc2)c(OCC(=O)N(C)C)c1 58311674 YMQDYMPQLYNGKV-UHFFFAOYSA-N 366.425 2.050 0 40 FEAB C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccnc1 27957517 WZAXCSJDUPGUHR-SNVBAGLBSA-N 374.871 2.178 0 40 FEAB Cn1ccs/c1=N\C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 16044351 VJZWDHPZWJMQMU-MSUUIHNZSA-N 365.480 2.002 0 40 FEAB CCc1ccc(-c2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12764780 BUQVBSQSBHDXBV-CQSZACIVSA-N 366.512 2.246 0 40 FEAB COC(=O)c1sccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 48355522 OGBOTJITUGRXBF-UHFFFAOYSA-N 360.391 2.437 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1 7803745 NBGXQPSSEDUPPE-UHFFFAOYSA-N 364.492 2.132 0 40 FEAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)NC(N)=O)o3)cc2C1 12807188 CEYJYCDVKYVVIE-SSDOTTSWSA-N 352.441 2.210 0 40 FEAB Cc1cc(NC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)no1 12890054 XCIFFPQTBQPIEG-UHFFFAOYSA-N 366.443 2.133 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2ccc(F)cc2)c1 12819898 PFZAZOJPXIYRBV-UHFFFAOYSA-N 350.415 2.446 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 3400391 IRQIOEQVBPLKQW-UHFFFAOYSA-N 356.378 2.335 0 40 FEAB O=S(=O)(Cc1ccccc1)Nc1cccc(N2CCCS2(=O)=O)c1 7997274 SAHIDGXFOASCTA-UHFFFAOYSA-N 366.464 2.168 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1 12998385 GMBWBCMZHSHBTA-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB COc1ccc(CN(C)C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1F 12910888 WAZSZEAXCWBUJJ-HUUCEWRRSA-N 374.412 2.134 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(OC)cc1OC 16635539 PRTWXOBPFGVBIV-UHFFFAOYSA-N 358.394 2.471 0 40 FEAB CC1CCC(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 39192575 DWPPCIXRWPBFJB-KVULBXGLSA-N 364.442 2.272 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 8244170 JQIUXQTUXZZXEM-QGZVFWFLSA-N 362.495 2.493 0 40 FEAB O=C(CSc1nnnn1Cc1cccs1)c1ccc2c(c1)OCO2 8232468 NKGJYTMSBDUIPX-UHFFFAOYSA-N 360.420 2.487 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1OC 4308717 DUAOFCBCLOUFIR-BLVKFPJESA-N 360.410 2.387 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1C 8473968 ASWDBZQVKTZXDM-UHFFFAOYSA-N 374.466 2.214 0 40 FEAB NS(=O)(=O)c1cccc(CCNC(=O)Nc2cccc(Cl)c2)c1 26780113 JKXNITDYWWQXRV-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB Cc1c(O[C@@H](C)C(=O)NCCCN(C)C)ccc2c3c(c(=O)oc12)CCC3 6660130 RNEJENQANFIOKH-AWEZNQCLSA-N 372.465 2.425 0 40 FEAB COCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N2CCCC2)n1 67256913 UIASCHWTDPJPRV-UHFFFAOYSA-N 370.453 2.245 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 18204222 HUKGLGURQPMNBS-LBPRGKRZSA-N 367.405 2.360 0 40 FEAB O=C(NCC1(c2ccccc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1 8935865 SWXKEFOEDUHHJX-UHFFFAOYSA-N 363.417 2.200 0 40 FEAB Cc1ccc(-n2c(O)nc3nc(NC[C@@H]4CCCO4)ncc3c2=O)c(C)c1 67263951 HZHXBYBIKSNENJ-ZDUSSCGKSA-N 367.409 2.089 0 40 FEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 8922877 JTOYEBXSZRBZJE-HOTGVXAUSA-N 373.453 2.302 0 40 FEAB CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(F)cc3[nH]cnc23)no1 96000955 TXFBBUCDLVHZPR-ZDUSSCGKSA-N 359.361 2.422 0 40 FEAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)c1 19819427 YSQWXTPHAWFMNT-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB O=C1NCCN(C(=O)c2ccc(Br)o2)[C@@H]1c1cccs1 72303145 COQPGOWAVZUHPM-LLVKDONJSA-N 355.213 2.417 0 40 FEAB COC(=O)c1cccn1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 95395506 FUXNPHKKOARRQA-UHFFFAOYSA-N 354.410 2.419 0 40 FEAB C[C@@H](C(=O)Nc1nncn1-c1ccccc1)n1nnc(-c2ccccc2)n1 95456432 YECKTLYNEQXQHG-ZDUSSCGKSA-N 360.381 2.121 0 40 FEAB O=C(CN1CCN(Cc2cc(-c3ccccc3)no2)CC1)N1CCCCC1 95946901 PHJSRAHXHKKGLL-UHFFFAOYSA-N 368.481 2.472 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)N2CCc3c(Cl)cccc32)=NN1c1ccccc1 79094398 UTGJSFCEBAPREE-KRWDZBQOSA-N 368.824 2.349 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 9954833 YPWMOXJKOULAMB-LBPRGKRZSA-N 354.362 2.226 0 40 FEAB CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1 21633127 ZRINDYBGWPBUJY-UHFFFAOYSA-N 357.391 2.380 0 40 FEAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)cc1 20153651 LSVFUAJOOIOWGP-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218586814 CPCIUZYFGZHWEX-RLFYNMQTSA-N 368.499 2.118 0 40 FEAB O=C1Cc2ccc(CC(=O)N3C[C@H](O)C[C@H]3c3cc(F)ccc3F)cc2N1 183873285 ZPBCXBWBCPGOBT-KDOFPFPSSA-N 372.371 2.336 0 40 FEAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCOCC3)c(Cl)cc12 32738667 WFMOPOOMPLWNPQ-LLVKDONJSA-N 351.786 2.381 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217565698 YMCIHMOZERCKFL-NSHDSACASA-N 356.444 2.053 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217528220 CKLAFZOANOWPSB-RYUDHWBXSA-N 358.460 2.299 0 40 FEAB CSc1nnc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)s1 224926610 MIEWHEIZCBSUKE-VIFPVBQESA-N 372.497 2.053 0 40 FEAB Cc1ccc2c(cnn2CCC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 226745718 DXBZPDLARHILQS-OAHLLOKOSA-N 354.454 2.252 0 40 FEAB CC(=O)N1CC2(CCN(Cc3ccc(F)cc3)CC2)[C@@]2(CCN(C)C2=O)C1 96036397 LGRFKNDDGIYDIN-NRFANRHFSA-N 373.472 2.119 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1n[nH]c2cccc(F)c12 95472904 AOJUKRPCIANSAA-CYBMUJFWSA-N 367.340 2.431 0 40 FEAB NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242718295 XIHCLCRTZLATCX-BBWFWOEESA-N 351.855 2.217 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 247867573 PDLHYIKQVBCKRG-OAHLLOKOSA-N 369.421 2.395 0 40 FEAB COCC(=O)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257244722 IMNGQQPJQIKNSM-UHFFFAOYSA-N 355.442 2.433 0 40 FEAB Cc1cc([C@@H]2CCCCN2C(=O)CCc2ccnn2C)nc2nccn12 257225102 FEVCWUYVFWAWEW-KRWDZBQOSA-N 352.442 2.458 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1CC1CCC1 253590930 HSBRWTGSROPGCJ-HNNXBMFYSA-N 353.470 2.314 0 40 FEAB Fc1cccc(OCc2nc(CN3CCOCC3)n(-c3cccnc3)n2)c1 584896744 BBXOSGNWALNNRC-UHFFFAOYSA-N 369.400 2.213 0 40 FEAB Cc1c[nH]c(-c2cc([C@H]3CCN(C(=O)C4CCOCC4)C3)nc(C)n2)n1 257244047 IJQLOAXECVDSTR-HNNXBMFYSA-N 355.442 2.226 0 40 FEAB C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[nH]1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653542515 SWEASLBQTKYHCO-HRDYMLBCSA-N 360.336 2.174 0 40 FEAB O=C(c1cccnc1N[C@H]1COC[C@H]1Cc1ccncc1)N1CCCC1 1704335629 CKAFFXUCSONHER-AEFFLSMTSA-N 352.438 2.382 0 40 FEAB O=C1C[C@@H](c2noc(C3CCN(CC(F)(F)F)CC3)n2)CN1C1CC1 680757203 QAZUUTZVWVBRSZ-LLVKDONJSA-N 358.364 2.290 0 40 FEAB O=C(C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1)N1CC(F)(C2CC2)C1 585101212 OCXZNWNUGGSKNE-IBGZPJMESA-N 372.444 2.153 0 40 FEAB O=C(NCCC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccc1 55799053 YMLUOKBKXWDGHF-IBGZPJMESA-N 367.449 2.409 0 40 FEAB O=C(NCC1CCN(CC(F)(F)F)CC1)[C@@H]1COc2ccccc2O1 275389832 BFMOPYTVWIIXIL-HNNXBMFYSA-N 358.360 2.217 0 40 FEAB O=C(NCc1ccc(Cl)s1)N1CCC[C@@H](n2cc(CO)nn2)C1 581869197 JPOWLKXLUYSVJR-LLVKDONJSA-N 355.851 2.032 0 40 FEAB COc1ncc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccc(F)cc2)cn1 1615086789 SYUATESBQNUGMU-IRXDYDNUSA-N 358.417 2.060 0 40 FEAB COc1ccc(OC)c(CC(=O)N2CCC(O)(c3ccccn3)CC2)c1 12114607 KCZIANBJYCFXAN-UHFFFAOYSA-N 356.422 2.152 0 40 FEAB COc1ccc(-c2nc(N3CCN(C)CC3)ncc2-c2ncc[nH]2)cc1 12221366 QMCFPMRDMNPHET-UHFFFAOYSA-N 350.426 2.294 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C[C@@H]2CCOC2)C1 12365304 SBCLPCGVKDQZDE-STQMWFEESA-N 358.891 2.354 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSc1ccccc1 13688733 KUKCKQWLVWZDKR-IYBDPMFKSA-N 358.463 2.236 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)c1csc2c1CCCC2 17073633 ZAXVJMCAJYSASA-OJXGSEEGSA-N 356.447 2.469 0 40 FEAB CCc1ccc(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 18023719 FFDSMCNNCNLFBZ-UHFFFAOYSA-N 359.426 2.160 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)sc1C 19124736 QABVNNIMJNMBNC-UHFFFAOYSA-N 358.467 2.190 0 40 FEAB CC1(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CCC1 19751578 GHXBBKQAXGZKGZ-UHFFFAOYSA-N 357.385 2.299 0 40 FEAB O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncnc1C1CC1 579085218 FLEJCJJQBMUQEZ-KRWDZBQOSA-N 364.449 2.318 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 8313777 BUOMPTLOGDMIEE-LJQANCHMSA-N 352.346 2.145 0 40 FEAB O=C1[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)N1c1ccccc1 1888850065 COHMNZBWSHTFIG-VXGBXAGGSA-N 362.311 2.121 0 40 FEAB COc1ccc(C(=O)N2CC(Cn3cc(Br)cn3)C2)cc1 1888880011 HPDJPAXUEKFJDX-UHFFFAOYSA-N 350.216 2.426 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3ncnc4sccc34)CC2)n1 1888897634 IBCYVYJFXUYLQN-UHFFFAOYSA-N 354.439 2.391 0 40 FEAB Cc1nocc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984772 NKWNOEQEYZLQTK-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB CC(C)C[C@@H](NS(=O)(=O)c1cscc1Br)C(=O)O 630412145 YMKLHZARVIPQMI-MRVPVSSYSA-N 356.263 2.288 0 40 FEAB CN(C)C(=O)[C@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226358 PRCDXRJAXQUSEK-NVXWUHKLSA-N 372.387 2.154 0 40 FEAB CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(F)cc1 4653266 SJFLAQGUWRMCJC-UHFFFAOYSA-N 354.447 2.453 0 40 FEAB CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 4615887 BFFABFIMFXUFQE-GOPGUHFVSA-N 368.455 2.396 0 40 FEAB O=C(CN1CCC(C(=O)NCc2ccccn2)CC1)Nc1ccc(F)cc1 9067939 OBFUTUQWFCYASX-UHFFFAOYSA-N 370.428 2.188 0 40 FEAB COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)c1 11693710 OBRYNYVATXXTPY-UHFFFAOYSA-N 371.437 2.067 0 40 FEAB Cc1cccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c1 12068922 VWYOUJPOXPSJPQ-UHFFFAOYSA-N 373.522 2.486 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccco1)C1CC1 75154989 MMYAWBRWRZYOGJ-GOSISDBHSA-N 360.435 2.354 0 40 FEAB CC(C)(C)NC(=O)CCc1cc(S(=O)(=O)NC(C)(C)C)ccc1O 12364987 VRBCJZSRBHZVMQ-UHFFFAOYSA-N 356.488 2.316 0 40 FEAB Cn1cc([C@@H](O)CNC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21 96337325 HNAWKCTXACNJNM-IBGZPJMESA-N 369.465 2.335 0 40 FEAB CN1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](c2ccccc2)C1 30029809 UBCJVFBPASASJY-QGZVFWFLSA-N 351.406 2.146 0 40 FEAB COC(=O)[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 30810596 UIKWAYWASPFPLZ-LBPRGKRZSA-N 352.394 2.235 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)COc1ccc(-n2cnnn2)cc1 45443296 LNXDDYGKOYBGRE-UHFFFAOYSA-N 355.373 2.229 0 40 FEAB Cc1cc(C)c(C(=O)NC[C@@H]2CCCO2)c(C)c1C(=O)NC[C@@H]1CCCO1 3214667 AUWCTYRHLWMLHQ-IRXDYDNUSA-N 374.481 2.429 0 40 FEAB O=C(CN1CCC[C@@H](C(=O)NC2CC2)C1)NC1(c2ccccc2)CCC1 51044425 NQXAXYCDIOKMLE-MRXNPFEDSA-N 355.482 2.173 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 7928729 NQZACVDMYZFHBA-CQSZACIVSA-N 369.373 2.440 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 101815034 VISNWTHWMPCRQU-PHIMTYICSA-N 359.382 2.325 0 40 FEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102043459 VCQPJDVXBKOSTO-YPMHNXCESA-N 361.467 2.300 0 40 FEAB COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16040193 HWGSIQVTOVKMIE-KGLIPLIRSA-N 367.405 2.286 0 40 FEAB biogenic CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ncccc2c1=O 32876492 CKRWUCBHTNSYLL-UHFFFAOYSA-N 372.425 2.359 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccc(Cl)cc32)cc1 21721058 QBLMFYJKOHQGQL-HNNXBMFYSA-N 366.826 2.090 0 40 FEAB COc1ccc(OCCN(C)C(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 29756913 YMEHMHGNBVBMGB-MRXNPFEDSA-N 370.453 2.239 0 40 FEAB Cc1c(NC(=O)c2cnn(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 7735155 XUUXSYMKRZJCMN-UHFFFAOYSA-N 374.404 2.317 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CCc2cc(OC)cc(OC)c2)CC1 21970662 UVRZNAZFVKMENL-UHFFFAOYSA-N 364.442 2.374 0 40 FEAB O=C(O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 22130400 LUPUUBLLBPVNOE-UHFFFAOYSA-N 367.818 2.244 0 40 FEAB Cn1ccnc1CN1CCOC[C@]2(C[C@@H](CNc3ccccc3)CO2)C1 107243482 OWJVHMMTWBUSTI-PXNSSMCTSA-N 356.470 2.140 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cn(C)cn2)CC1 100750179 BHCSBTJWWAILHT-FCEWJHQRSA-N 369.469 2.229 0 40 FEAB CCn1/c(=N\C(=O)c2cc(C)n(C)n2)sc2cc(C(=O)OC)ccc21 101025447 ZLGICTPATMYASC-ISLYRVAYSA-N 358.423 2.292 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2)cc1 979772 SAQVXWCFNNOKFW-UHFFFAOYSA-N 358.463 2.465 0 40 FEAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)COCc1ccccc1F 24833642 IHWFPIAIZUGPFW-OAHLLOKOSA-N 362.332 2.359 0 40 FEAB CCc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2CC)cc1 12413373 JYCNLFBNRVJTDK-UHFFFAOYSA-N 357.439 2.433 0 40 FEAB biogenic,in-vitro CN(C(=O)CN1CCOCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 25427067 FXONBPHXTWKTDO-LJQANCHMSA-N 364.873 2.469 0 40 FEAB CCCCN(C)C(=O)Cn1c(=O)n(CCCC)c(=O)c2sccc21 57427169 LXEDHADGWVPIBA-UHFFFAOYSA-N 351.472 2.283 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1Cc2ccccc2O1 29844911 DQIWXURTHVIVDU-WBVHZDCISA-N 358.463 2.241 0 40 FEAB NC(=O)CCSc1nnc(N2CCCC2)n1-c1ccccc1Cl 10377241 BZBOEUXIRSDCGQ-UHFFFAOYSA-N 351.863 2.488 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(C)n3C3CC3)oc(C)c12 8072354 SHSMNQQMAYZGDE-UHFFFAOYSA-N 374.426 2.099 0 40 FEAB Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1CC(N)=O 48289383 GBWUDYUMNQOTFO-JFGNBEQYSA-N 355.529 2.464 0 40 FEAB Cc1cc(F)ccc1C(=O)N1C[C@H]2OC[C@@H](CNc3ncccn3)[C@H]2C1 306132998 LYNMZEBAPUMJGU-KBRIMQKVSA-N 356.401 2.123 0 40 FEAB CCOc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1 4272795 FQZVEMPLUPEHCB-UHFFFAOYSA-N 354.414 2.342 0 40 FEAB O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(Cc1ccsc1)C2)C1CC1 306124849 CAUDVRRODXLDCL-QAPCUYQASA-N 357.483 2.203 0 40 FEAB O=C(/C=C/c1cccs1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 306138038 RNIJHRALYODERY-RDFMZFSFSA-N 357.435 2.390 0 40 FEAB COc1cc(OC)c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 69929278 ZBUQRSKYSSNYSJ-UHFFFAOYSA-N 371.393 2.155 0 40 FEAB Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)no1 8853285 QCENASPNUYFALQ-UHFFFAOYSA-N 355.803 2.329 0 40 FEAB CCN1CCN(Cc2c(C)nc3ccc(N4CCOCC4)cc3c2O)CC1 19793576 BVVBCWAURPISBX-UHFFFAOYSA-N 370.497 2.223 0 40 FEAB Cc1cc(N)nc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1 9338739 TVYSABMYIUROQI-UHFFFAOYSA-N 357.439 2.225 0 40 FEAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2cnnc12)CN(C)CC3 19996135 FDMLPWKTVNPCEG-UHFFFAOYSA-N 351.435 2.391 0 40 FEAB CNC(=O)NC(=O)CCCSc1nnc(-c2ccc(Cl)cc2)n1C 83881862 FIBSYGCLTZSSBI-UHFFFAOYSA-N 367.862 2.463 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 9607179 GBMQHBVESOYLSB-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)c1ccco1 26142416 BWOGLAMYAPOQBM-UHFFFAOYSA-N 361.829 2.121 0 40 FEAB Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cs1 95461340 SOVWAMOWERHHMC-UHFFFAOYSA-N 355.423 2.439 0 40 FEAB COc1ccc(Cl)cc1COC(=O)C1CCN(S(C)(=O)=O)CC1 9986008 SUZQXOOWKYCPRO-UHFFFAOYSA-N 361.847 2.063 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCOc2ccc(OC)cc2)cc1 30438160 VHJUHGZRHHJROI-UHFFFAOYSA-N 351.424 2.451 0 40 FEAB O=C(c1cscn1)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327397 ROIVYTJEOHVUFP-NEPJUHHUSA-N 352.419 2.083 0 40 FEAB COc1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 35310714 VHFZHUVEMMNCSA-UHFFFAOYSA-N 364.453 2.052 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331204 DUNDKCHFAJVNRD-UHFFFAOYSA-N 356.809 2.394 0 40 FEAB CC(=O)NCC(=O)N1CCC(c2nccnc2Oc2cccc(C)c2)CC1 72362731 WWSVWIUGRKQGQQ-UHFFFAOYSA-N 368.437 2.419 0 40 FEAB C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)CCN1C(=O)OC(C)(C)C 85340216 SBYBWPWXYIGEND-CZUORRHYSA-N 362.426 2.294 0 40 FEAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 45866059 WFKHKLIOADIQDK-UHFFFAOYSA-N 353.421 2.094 0 40 FEAB CCOc1ccc(CN2CCN(c3nccc4c(O)ncnc34)CC2)cc1 574413296 FIBGRFDIENNYAA-UHFFFAOYSA-N 365.437 2.451 0 40 FEAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 222774604 FMZQJOUUUABFTQ-SJORKVTESA-N 367.482 2.395 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 96051510 HIUXDYUBKFQPPD-INIZCTEOSA-N 354.410 2.193 0 40 FEAB Cc1cc(C(=O)N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)cc(C)n1 247856458 CVBJXRRJIIQZLP-INIZCTEOSA-N 367.453 2.222 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242701945 WUDWCYMAKWHYLQ-LMMKCTJWSA-N 359.447 2.195 0 40 FEAB Cc1ccccc1CN1CC2(C[C@@H](CCOCC(=O)N(C)C)CCO2)C1 248017774 QRWZTYJHCYOUJY-SFHVURJKSA-N 360.498 2.471 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)on1 257231868 GIMBNJSLSWVQMV-OAHLLOKOSA-N 359.430 2.144 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc(-c3nccs3)c2)C1 257288534 PUONETLIKLXIPT-CYBMUJFWSA-N 352.485 2.191 0 40 FEAB Cc1nc(C[C@H]2CCCN(Cc3cscn3)C2)cc(C(=O)N(C)C)n1 257200508 ADPMOEDRAIMAJY-CQSZACIVSA-N 359.499 2.398 0 40 FEAB Cc1cc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)n2ncnc2n1 275663652 LEQVBVZESYSWGM-QGZVFWFLSA-N 351.458 2.319 0 40 FEAB O=C(O)c1ccc(OCCN2CCN(c3cnccn3)CC2)c(Cl)c1 652393045 UZQHCVNXJHKTHR-UHFFFAOYSA-N 362.817 2.029 0 40 FEAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@@H]([C@H]2CCCCO2)C1 660971089 JKLMKAMCOAUAOF-IAGOWNOFSA-N 372.531 2.192 0 40 FEAB O=C1NCC[C@@H]1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 661390588 QNEYHASSOUMUPO-INIZCTEOSA-N 351.397 2.208 0 40 FEAB CCn1cnnc1NC(=O)c1cc(Br)c2c(c1)OCCO2 285783183 LVBRTWXXRJEKPV-UHFFFAOYSA-N 353.176 2.084 0 40 FEAB CCCn1ccnc1CN1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O 585182025 FUPQGNBCMOVUBZ-ZDUSSCGKSA-N 351.476 2.147 0 40 FEAB CCCNC(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594809 YOZMUGWUQZVZMD-INIZCTEOSA-N 374.485 2.247 0 40 FEAB CCCn1ncc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c1C 12183519 DNKHDOGNCQGNMK-UHFFFAOYSA-N 368.437 2.356 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 12276531 KJIIBOWLBAVHKL-HNNXBMFYSA-N 354.414 2.017 0 40 FEAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 14005006 YPBGFTFIWSSHFW-UHFFFAOYSA-N 369.855 2.114 0 40 FEAB CCN1CCN(C(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 19527786 ALKFUBDKEXSQQR-LDBRAYGESA-N 354.450 2.211 0 40 FEAB COc1ccc2cccc(CC(=O)N3CCNC[C@@H]3c3nccn3C)c2c1 644129789 UVOIKMUYROJJNZ-LJQANCHMSA-N 364.449 2.298 0 40 FEAB CCc1[nH]nc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)c1Br 647140050 RDBWZOLVDBDBBU-AWEZNQCLSA-N 368.235 2.481 0 40 FEAB COc1ccccc1CN1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037980656 CUGLAALCPZPCLL-DBXWQHBBSA-N 352.434 2.178 0 40 FEAB O=C(c1csnn1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 1565554177 LJVVXOQJDUEJEP-UHFFFAOYSA-N 364.496 2.107 0 40 FEAB O=C(COc1ccccc1)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9034567 UWNYWYQZBSAQIW-INIZCTEOSA-N 356.397 2.369 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1OC 9616511 YAUBHKRZLYJMIF-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB O=C(NCCc1ccccc1)C(=O)NCCc1ccc(N2CCCC2)cc1 17178897 OJRWTXKLMKAMOV-UHFFFAOYSA-N 365.477 2.304 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)c1 40081889 HTQJVRDVDKQAQA-SFHVURJKSA-N 373.434 2.159 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 645943 BDVUPIPVTFGSAN-UHFFFAOYSA-N 350.783 2.123 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)c(OC)c1 2429063 GKQCPRVRYQQNGW-INIZCTEOSA-N 372.421 2.287 0 40 FEAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(C)nc1 25189562 NPPDEZAWIJQUNR-UHFFFAOYSA-N 355.394 2.266 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(CC)o3)CC2)nc1 25116330 MILJZEFNOPXSIQ-UHFFFAOYSA-N 357.410 2.376 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)c1csc2c1CCCC2 6861661 ZAXVJMCAJYSASA-CJXOWJITSA-N 356.447 2.469 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1770400 ABWAKXBPPYHKRA-UHFFFAOYSA-N 366.417 2.485 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cnc2ccccc2c1 100466786 ZJEUUDOBFLQKBE-CRODYANQSA-N 373.412 2.226 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)Nc2cccc(C)n2)c1C 58178039 INXHREQURDHNLD-UHFFFAOYSA-N 372.425 2.270 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 58213851 QONCQUDNGJLMBP-CQSZACIVSA-N 355.442 2.259 0 40 FEAB CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 2393752 ZULIZQXKUMTYLY-SFHVURJKSA-N 374.466 2.215 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)c3ccccc3C2)cc1 68864969 GHTBRPFNBPDPPZ-UHFFFAOYSA-N 373.478 2.077 0 40 FEAB Cc1noc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)n1 29136079 PNPLXWWDEODXOK-UHFFFAOYSA-N 362.430 2.079 0 40 FEAB CN(CC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)OC(C)(C)C 60378318 TVKJOELMXLPQNF-UHFFFAOYSA-N 371.547 2.331 0 40 FEAB COc1ccc([C@@H]2C(c3ccccc3)=C(O)[C@H](O)N2c2nnn[nH]2)cc1 106105457 XTHASLIJCUNAHN-WBVHZDCISA-N 351.366 2.057 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2O1 12517255 RRPGYBBBSYJENV-GOSISDBHSA-N 353.422 2.256 0 40 FEAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2CC(=O)O)c1 12779005 MZYKPCCLIHJYHC-UHFFFAOYSA-N 374.466 2.489 0 40 FEAB CC(=O)Nc1ccc(SCC(=O)N2CCN(C(=O)C(C)C)CC2)cc1 12746239 ZXNIWILTUAAZQU-UHFFFAOYSA-N 363.483 2.064 0 40 FEAB O=c1oc(-c2ccco2)nn1C[C@@H](O)COCc1ccccc1Cl 12805317 VMYMVHZZPKCERJ-GFCCVEGCSA-N 350.758 2.327 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccc(O)cc3)c(-c3ccccc3)cn21 62720479 GMLJBPRNSFXYRD-UHFFFAOYSA-N 373.372 2.038 0 40 FEAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H]1COc2ccccc2O1 6260948 UWLYUROOHAYOOW-HNNXBMFYSA-N 371.389 2.233 0 40 FEAB CS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2c(=O)o1)OCCCO3 13984304 ZQSVKNYOSYOREJ-UHFFFAOYSA-N 373.386 2.420 0 40 FEAB Cn1cccc1C(=O)NC(=O)CSc1nnc(Cc2ccccc2)o1 13985241 ZLNAZYKMRWFAIN-UHFFFAOYSA-N 356.407 2.048 0 40 FEAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 14183418 OWLIPOCVNDXVPJ-UHFFFAOYSA-N 371.462 2.294 0 40 FEAB CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)C(C)C 14183109 AVNMWKGAAURBDH-SFHVURJKSA-N 367.396 2.377 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1cccc(Cl)c1 14167924 GXXDTGAVQNDACD-NSHDSACASA-N 350.854 2.245 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)C[C@@H](NC(N)=O)c1cccs1 14521528 OEAMKBKCXSWMBH-GFCCVEGCSA-N 361.423 2.235 0 40 FEAB COC(=O)Cc1c(O)ccn(CCc2c[nH]c3ccc(OC)cc23)c1=O 5703719 OJNOVOZVNZXVOP-UHFFFAOYSA-N 356.378 2.002 0 40 FEAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccccc1 4829333 QQBTUKYKZLHKAT-CYBMUJFWSA-N 350.374 2.390 0 40 FEAB O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 97032310 YQVUIXGWAPWSIU-KSZLIROESA-N 353.418 2.281 0 40 FEAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 7052295 SKSMXYBYZOPFKU-UHFFFAOYSA-N 366.464 2.014 0 40 FEAB C[C@H](C(=O)N1CCOc2cc(F)ccc21)n1nnc(-c2ccccc2)n1 80366427 KDIGYDGNIOZNIS-GFCCVEGCSA-N 353.357 2.466 0 40 FEAB Cc1c(C(N)=O)sc2ncn([C@H](C)C(=O)Nc3ccccc3)c(=O)c12 7994964 PUQMBHCJNGLSBK-SNVBAGLBSA-N 356.407 2.065 0 40 FEAB NC(=O)C1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 8036461 YESFJBDRMQDBEV-UHFFFAOYSA-N 368.433 2.368 0 40 FEAB CCc1ccccc1Nc1nc(N)nc(CSc2nnnn2C2CC2)n1 8025746 RHEIKXQMQLAFMN-UHFFFAOYSA-N 369.458 2.374 0 40 FEAB O=C(NCCNc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccnc1 71953961 HNBLMFOJWPPXAJ-UHFFFAOYSA-N 369.812 2.123 0 40 FEAB O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@@H](CN2CCOCC2)C1 69745916 HWITVEXWFAJDAA-INIZCTEOSA-N 360.454 2.032 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2F)C[C@H]1C(=O)O 95080817 HXCZLUDZLXHJRH-AWEZNQCLSA-N 352.362 2.149 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 95478163 LYIYMAXKVLBTTI-UHFFFAOYSA-N 365.372 2.040 0 40 FEAB CCc1cc(=O)c2cc(NC(=O)CCS(=O)(=O)CC(C)C)ccc2[nH]1 95468130 KUTSJLPJVDRXCN-UHFFFAOYSA-N 364.467 2.490 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 75488113 DBNIMGFUZPKXFN-JQWIXIFHSA-N 363.483 2.217 0 40 FEAB O=C(CN1CCC(N2CCCCC2)CC1)Nc1ccc2c(c1)OCCO2 26439240 FLTOHMIGWFVAMQ-UHFFFAOYSA-N 359.470 2.347 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C)cc1 28614125 IXXYVTJNVNWHTB-UHFFFAOYSA-N 357.362 2.342 0 40 FEAB Cc1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3N)CC2)cc1 70461877 FJIFUPMSOJZQLV-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB COCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157912 TXKPXWXKXICPCF-LJQANCHMSA-N 354.450 2.489 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 225543423 KTZGJNVSOLGRHN-LLVKDONJSA-N 366.468 2.211 0 40 FEAB C[C@@H](CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1 84838954 VEAMHVBDSQATMY-ZDUSSCGKSA-N 368.474 2.392 0 40 FEAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(S(C)(=O)=O)cc1 223083641 MBHMLVKECHGVDZ-AWEZNQCLSA-N 372.468 2.125 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1sccc1-n1cnnn1 40093134 DPUZQHMYLUUUAS-ZDUSSCGKSA-N 374.495 2.352 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1Cl 49705974 SVTLWCIJKIMHSN-UHFFFAOYSA-N 361.847 2.266 0 40 FEAB C[C@H](NC(=O)N1CCN(C(=O)C2CC2)C1)c1ccc(Br)cn1 333636397 BOIWIQOZGPUPRE-JTQLQIEISA-N 367.247 2.126 0 40 FEAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4ccccn4)C3)CC2=O)cs1 96050929 VUXOHSTXSBADNJ-GOSISDBHSA-N 356.451 2.111 0 40 FEAB Cc1nc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cs1 96111138 CLKQRYVBOHIFKB-OAHLLOKOSA-N 351.472 2.129 0 40 FEAB Cc1occc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96230436 MBABFTXBCWUYCC-FQEVSTJZSA-N 353.422 2.151 0 40 FEAB CN(CC(N)=O)c1c(C(=O)C(F)(F)F)ccc(Br)c1F 585138376 LNJAYRSHTROOQV-UHFFFAOYSA-N 357.101 2.255 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 248180333 YDUUOEDIJZCELO-DOTOQJQBSA-N 354.447 2.462 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)cc1 248166255 ZYSLPBZBZZYRDV-SFHVURJKSA-N 368.481 2.140 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)n1 257249149 JGZYTNNOEZJDKD-KRWDZBQOSA-N 354.458 2.099 0 40 FEAB Cc1cccnc1C(=O)N(C)C[C@]1(O)CCCN(c2ccc(F)cn2)C1 257325485 WTBSHWRRXADLKK-LJQANCHMSA-N 358.417 2.028 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253595979 LQNLFZZVNGUMCJ-CPUXHMLJSA-N 371.481 2.009 0 40 FEAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)CN)[C@H]1CCCC(=O)N2 257263719 LRDRNMAQSUKRMP-ZQIUZPCESA-N 369.387 2.365 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 257295126 QXBKZWDFCHFSDX-OAHLLOKOSA-N 357.458 2.468 0 40 FEAB C=CC(=O)N(C)CC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 1637728451 YTCWXFUVCNXFRA-BZSNNMDCSA-N 370.449 2.144 0 40 FEAB Cc1cc(C(=O)N2CCN([C@@H]3CCOC3)CC2)ccc1OC(F)(F)F 626081976 PIFRRZNEINEEOT-CQSZACIVSA-N 358.360 2.440 0 40 FEAB NC1CCN(CCNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 1120533679 SZDSDKDVSZSTQG-HNNXBMFYSA-N 358.408 2.055 0 40 FEAB Cn1cc(CC(=O)N2C[C@@H]3CC[C@@]3(Nc3nc4ccccc4o3)C2)cn1 1615831919 HXEQHZRUILIGFI-IFXJQAMLSA-N 351.410 2.207 0 40 FEAB C[C@]1(CNC(=O)Cc2ccon2)CN(c2nc3ccccc3s2)CCO1 1775992495 SEVOXVBEINVMIA-SFHVURJKSA-N 372.450 2.239 0 40 FEAB COc1ccc(C(=O)CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 575421599 JDUZBOVCMPAVSZ-OAHLLOKOSA-N 369.483 2.032 0 40 FEAB COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2cnn(C)c2)C[C@H]3OC)c1 585290821 HANRRYSWTKTQRL-DFQSSKMNSA-N 357.454 2.202 0 40 FEAB CC[C@@H]1C[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(=O)N1 680431292 URUGNASWDNQGHA-WOJBJXKFSA-N 371.525 2.458 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H](C)C1 36047888 RCXCLLFEQPTQEZ-YOEHRIQHSA-N 350.484 2.022 0 40 FEAB CO[C@@]1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 96097702 DXZYHRRUGWMNRF-GFCCVEGCSA-N 371.402 2.386 0 40 FEAB CC(C)n1cnc(S(=O)(=O)NCC2CCN(CC(F)(F)F)CC2)c1 188324957 MZUPSDUHUJTQAK-UHFFFAOYSA-N 368.425 2.017 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 571401435 JLKSSDPGBHZBOW-ZIAGYGMSSA-N 361.822 2.036 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCN(c2ccccn2)CC1 6227809 OCHXHLLIPXXKPG-RMKNXTFCSA-N 370.453 2.457 0 40 FEAB O=C1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2N1 5253469 CAGKNNOQVIHWNK-UHFFFAOYSA-N 368.780 2.035 0 40 FEAB COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16576547 ALPLMKZWADJIRT-HNNXBMFYSA-N 368.499 2.161 0 40 FEAB CC(=O)N1C(=O)[C@@]2(N=C(N)N=C3Sc4ccccc4N32)c2ccccc21 17074728 QOFXXCGSXHCQBY-GOSISDBHSA-N 363.402 2.029 0 40 FEAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)[C@H]2CC=CCC2)CC1 19288999 DIJBJZZVJNDCTL-KRWDZBQOSA-N 365.481 2.483 0 40 FEAB O[C@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 19335401 YMPDUNYOBVFIQS-GOSISDBHSA-N 358.413 2.453 0 40 FEAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 19346306 LZVFCTQJWWFJBR-MJGOQNOKSA-N 374.506 2.197 0 40 FEAB CN(C)c1ccc(CCNC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 19657106 SBJFVJSZDHUOML-GOSISDBHSA-N 353.422 2.201 0 40 FEAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(OC)c1OC 868323 JYBMXHGYNPPNCP-MHWRWJLKSA-N 368.414 2.483 0 40 FEAB CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601890 PDPFZVAEDACRHX-UHFFFAOYSA-N 355.394 2.116 0 40 FEAB O=C(NCC1(O)CSCCSC1)c1cccc(Br)c1 1888863903 BTDGJTROCCQMBE-UHFFFAOYSA-N 362.314 2.390 0 40 FEAB Cc1cc(C)c(CNC(=O)c2ccccc2OCc2noc(C)n2)c(=O)[nH]1 23697399 VDROZQQBXOZEKB-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CC[C@H](Oc2ccncc2)C1 240122557 WCWFGLZOGJPGFZ-INIZCTEOSA-N 355.419 2.472 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 1565541797 FCKQDOQPYWOIJG-GHTZIAJQSA-N 368.408 2.293 0 40 FEAB Cc1ccc(-n2nnc3c(SCC(=O)N4CCCC4)ncnc32)cc1 4166578 HJGXWBMCSCPTIU-UHFFFAOYSA-N 354.439 2.233 0 40 FEAB CCOc1ccc(N2C[C@H](NC(=O)NCc3ccccn3)CC2=O)cc1 4272640 PDKQYEWPEKLABV-OAHLLOKOSA-N 354.410 2.085 0 40 FEAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)C1CC1 9573755 SMOSVYYVRGIVIO-UHFFFAOYSA-N 370.478 2.383 0 40 FEAB CN(C)c1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1 2086884628 WHMLEAWQAXNTJO-UHFFFAOYSA-N 353.417 2.017 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1C[C@@H](C)C(=O)N2 36705531 AUUGVWSEVAVWHE-SECBINFHSA-N 365.393 2.162 0 40 FEAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)c1cccs1 4295947 XLFNYHYQPWIONB-JJXSEGSLSA-N 350.399 2.229 0 40 FEAB O=C(NCCCn1ccnc1)c1ccc(I)cc1 12546492 YULOHVRGXUAELV-UHFFFAOYSA-N 355.179 2.308 0 40 FEAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccc(-n2cncn2)nc1 40107031 JIKPTAXFORSVFX-UHFFFAOYSA-N 373.420 2.097 0 40 FEAB CCOc1ccc(C(=O)[C@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 31762283 CZFYBCMXYPVWTR-LBPRGKRZSA-N 365.393 2.282 0 40 FEAB O=C(COC(=O)Cn1ncc2ccccc2c1=O)NC1CCCCCCC1 51458781 LAQGGKJEODGPGL-UHFFFAOYSA-N 371.437 2.169 0 40 FEAB Cc1nc(N2C[C@@H](O)C[C@H]2C(N)=O)c2c(-c3ccccc3)csc2n1 102399195 NYJKEKBTKCIVBI-JSGCOSHPSA-N 354.435 2.092 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)no1 102613694 BHOVFMBNHGMVBU-BZUAXINKSA-N 367.405 2.490 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2C)cc1 53214264 NZAWWOPOGDLOKX-LLVKDONJSA-N 350.465 2.416 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 33542322 DEWDBMMNZPWYTG-OSAWLIQMSA-N 369.465 2.172 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc3c(c2)OCO3)C[C@@H](C)O1 41911348 NIOYWSHRRLPNOE-WVOQPWCKSA-N 360.454 2.433 0 40 FEAB CS(=O)(=O)NCCCNc1ncnc2sc3c(c12)CCCCC3 23057499 ZQKRLJABECVPFN-UHFFFAOYSA-N 354.501 2.311 0 40 FEAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)c1C 23248987 FLBUZYGDDRTZBL-QGZVFWFLSA-N 374.529 2.163 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1 3269782 HHLDCIKMGSVNKQ-UHFFFAOYSA-N 362.407 2.022 0 40 FEAB Cc1ccc(CNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)o1 3911040 ODGQMGURLQGAMH-UHFFFAOYSA-N 369.421 2.468 0 40 FEAB CC(C)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 57525574 TYNBAIUSGZRBTC-UHFFFAOYSA-N 351.406 2.462 0 40 FEAB Cc1ccc(N(C[C@H](O)CN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 1814864 HVDDNZRUHMWIMK-GOSISDBHSA-N 362.495 2.421 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)c(C)c1 58173911 KKIKCSOCQMSREA-UHFFFAOYSA-N 366.527 2.426 0 40 FEAB Cn1cc(CCN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cn1 95398718 ATGZJCGIBASYGX-IBGZPJMESA-N 354.454 2.243 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@H](C)c2cccc(F)c2)nn1)OCC 58228401 SXLXBSJFVYULKI-GFCCVEGCSA-N 350.394 2.307 0 40 FEAB O=C(CSc1cnnn1-c1ccccc1C(F)(F)F)N1CCOCC1 28296027 WQHIOSXSUDLNRV-UHFFFAOYSA-N 372.372 2.237 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3ncccc3C)c(=O)c2cc1OC 36358688 AJKBFJVNTVSGHM-UHFFFAOYSA-N 368.393 2.146 0 40 FEAB CC(C)Nc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1 3383243 VAMRXIVWCQCUIP-UHFFFAOYSA-N 363.468 2.436 0 40 FEAB CN(C)C(=O)NCCNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 95458350 QSEYWTKROXWQDR-UHFFFAOYSA-N 354.336 2.241 0 40 FEAB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F 47317884 CZXODJUZAVDCEE-UHFFFAOYSA-N 355.318 2.399 0 40 FEAB COC(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12409043 VYWUDRHHVZRKBR-UHFFFAOYSA-N 355.423 2.232 0 40 FEAB O=C(Cc1c(F)cccc1Cl)NCCNC(=O)c1ccc(O)cc1 47552602 JRDHLWNZMCXEET-UHFFFAOYSA-N 350.777 2.273 0 40 FEAB COc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)c(OC)c1 12796726 NSNCEIHUGNIWGU-UHFFFAOYSA-N 356.422 2.265 0 40 FEAB CN(C)CCN(Cc1ccccc1F)S(=O)(=O)N1CCCCCC1 48263704 YYSMDDPQRRUUFS-UHFFFAOYSA-N 357.495 2.310 0 40 FEAB CCN1C[C@@H](CN(C)c2cncc(-n3cccn3)n2)Oc2ccccc21 48308538 FYQSKHRWZFYIAF-OAHLLOKOSA-N 350.426 2.386 0 40 FEAB CC(C)c1cc(N2CCC(O)(CN3CCOCC3)CC2)nc(C(C)C)n1 95468687 YWZYZZVMWPZQJY-UHFFFAOYSA-N 362.518 2.387 0 40 FEAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 12876089 RTKGTZWFZPYVAA-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 13260607 IRGCACYPPCTUQZ-NEPJUHHUSA-N 350.802 2.016 0 40 FEAB COC(=O)c1sccc1NC(=S)N1CCN(c2ccccn2)CC1 3906953 CHDVXEHZONRPSO-UHFFFAOYSA-N 362.480 2.449 0 40 FEAB Cc1cccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1C 9483153 GJCDYELOJAPYRF-ZDUSSCGKSA-N 362.455 2.098 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 65489796 ILTLSNHWSXYGEK-UHFFFAOYSA-N 371.437 2.264 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1CCO 5343657 VZQGXXUAZYPCHX-SFHVURJKSA-N 351.362 2.025 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccco1 7185771 ZATUDWRNYUIWAZ-XCLFUZPHSA-N 367.405 2.240 0 40 FEAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7297312 KBVSKVXZPZERSE-VIFPVBQESA-N 354.395 2.018 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 7996976 DETMUZHYZPYMCU-UHFFFAOYSA-N 355.419 2.055 0 40 FEAB CCCN(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 63761924 NBBZKQULYOZQAA-UHFFFAOYSA-N 367.515 2.450 0 40 FEAB CC[C@H](Nc1ncnc2c1cnn2CC(=O)OC)[C@@H](O)c1ccccc1F 72304137 CZLIJJUYAJPIMX-HOCLYGCPSA-N 373.388 2.063 0 40 FEAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)Nc2nc3c(s2)CCC3)C1=O 72325531 HPXOQBFRRJSZNK-JTQLQIEISA-N 370.434 2.310 0 40 FEAB biogenic Cc1cccc(N2CCN(C(=O)Cn3cnc4sccc4c3=O)CC2)c1 22062595 BZNAIXIXNDNEJA-UHFFFAOYSA-N 368.462 2.115 0 40 FEAB COc1ncccc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 306135134 OITNWGQGQJWSIQ-INIZCTEOSA-N 364.453 2.426 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccs2)cc1 67896307 OKZIOWRWBDUEEM-RHSMWYFYSA-N 360.435 2.281 0 40 FEAB biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)CC3 524732212 LHXXRSPSSWWKCJ-UHFFFAOYSA-N 353.378 2.072 0 40 FEAB biogenic COCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2C)s1 35316112 DQXSUDARGDVDMW-UHFFFAOYSA-N 366.468 2.471 0 40 FEAB CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 306130872 JROWWQQTWLJABL-QGZVFWFLSA-N 361.461 2.413 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218548060 YZCITRQNVYXEPP-YESZJQIVSA-N 351.855 2.278 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)n2cc(Br)cn2)CC1 32611232 NKUOHVMZLKEOTE-SNVBAGLBSA-N 358.236 2.008 0 40 FEAB C[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)N1CCc2ccccc2C1 79158416 CYSIGEUATRRJKK-GQWLDOHISA-N 365.477 2.391 0 40 FEAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN([C@@H](C)C(N)=O)C2)on1 72342821 HIPWLQXLNYNYLO-KBPBESRZSA-N 368.441 2.054 0 40 FEAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 224861769 KTCDLIOGJLUIAW-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB COc1cc(N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)ncn1 96228161 QBAZBAGZQOTADQ-UHFFFAOYSA-N 353.426 2.042 0 40 FEAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]1O2 96253356 QUTDZOCRHHQQHI-FGTMMUONSA-N 366.421 2.019 0 40 FEAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(Cc1ccc3c(c1)OCO3)CC2 247980960 HCSSQILLPJYTMA-CYBMUJFWSA-N 356.426 2.327 0 40 FEAB O=C(c1ncccn1)N1CC2(C[C@@H](CCOCc3ccncc3)CCO2)C1 247864410 NXPAHVCONQWTRP-INIZCTEOSA-N 368.437 2.100 0 40 FEAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1 248069124 FTTZWTIXPVZYQA-KRWDZBQOSA-N 353.422 2.485 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)c1 257340699 ZHFMJJVPNCKUPK-SFHVURJKSA-N 355.438 2.299 0 40 FEAB COCC(=O)N1CC[C@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257229107 FWRVCNNDYIWDQR-CQSZACIVSA-N 354.406 2.484 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cccc2nccnc12 619289118 HERZPNQLTYBQHH-SCLBCKFNSA-N 351.410 2.261 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 643994407 FPKCIVOTUIIZGB-OAQYLSRUSA-N 352.434 2.125 0 40 FEAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 647585450 QSVJKLMKBHKWBX-VQHPVUNQSA-N 358.438 2.199 0 40 FEAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2nc[nH]n2)CC1 649930701 JPBIPKPEVOSCBO-UHFFFAOYSA-N 354.336 2.173 0 40 FEAB CC(C)C[C@H](NC(=O)N1CCN(c2nncn2C)CC1)c1cccs1 654394539 SRTSIVGZBUNDMF-AWEZNQCLSA-N 362.503 2.496 0 40 FEAB O=C(CN1CCC[C@](O)(C2CC2)C1)Nc1ccc(N2CCCCC2)nc1 661629609 ZJUOPWXUISQMHG-HXUWFJFHSA-N 358.486 2.247 0 40 FEAB Cc1oc(C(C)C)cc1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 671769705 QMRQWQFVHYZIQG-WRFANHODSA-N 356.422 2.248 0 40 FEAB Cc1cc(Br)cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 682611287 VEBBAMWUGHTGTP-LEWSCRJBSA-N 351.244 2.484 0 40 FEAB COCc1cc(N2CCC(NS(C)(=O)=O)CC2)c2cc(F)ccc2n1 685902857 UAEBOEBMYMFXAP-UHFFFAOYSA-N 367.446 2.038 0 40 FEAB CCn1cnc2c1CCN(C(=O)Cc1ccc(F)cn1)C21CCOCC1 1775962767 DICVNQXBORMWID-UHFFFAOYSA-N 358.417 2.070 0 40 FEAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N1CCC(C(F)(F)F)CC1 585280398 HQZDCJQJYRLZMZ-TZMCWYRMSA-N 350.381 2.061 0 40 FEAB CCOCC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CCF 585106777 HWCBAJHCINELLN-LJQANCHMSA-N 358.417 2.126 0 40 FEAB CC[C@H]1C[C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(=O)N1 680431289 URUGNASWDNQGHA-PMACEKPBSA-N 371.525 2.458 0 40 FEAB Cc1cc(CC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n(C)n1 685942701 MKCOAEQODDTLSO-LIRRHRJNSA-N 355.442 2.112 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5524722 SCRCGIHQSKHGKJ-ZENOOKHLSA-N 365.311 2.186 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2n1 12337289 OWRABZFHXKDTMZ-ZDUSSCGKSA-N 358.446 2.054 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580522 VSBMFEHKPNCYFH-STQMWFEESA-N 372.462 2.150 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCSCc1ccccc1 14228966 IYIMFFWBZAJTKS-UHFFFAOYSA-N 364.492 2.306 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2cccc(N3CCCC3=O)c2)n1 15513108 HHXPNKDVEWBXDS-UHFFFAOYSA-N 359.407 2.374 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC1 16428744 YQWWGTMWCQSFPP-UHFFFAOYSA-N 366.483 2.253 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(C3CCCCC3)C2)c2nccnc21 19021526 KERVPYRTLUWTHF-HNNXBMFYSA-N 356.474 2.084 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)Cn3cncn3)C2)c2sccn12 19240724 VZFYAWDPJGQWDT-GXTWGEPZSA-N 358.471 2.338 0 40 FEAB CNC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927330 VZMFRAWSVASEFJ-JTQLQIEISA-N 353.879 2.381 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccnc1 20061436 APQDIJAGASSNJV-UHFFFAOYSA-N 359.451 2.105 0 40 FEAB Cc1cccc(C2(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCC2)c1 24595126 XGAXJUZSOKCHMG-UHFFFAOYSA-N 372.490 2.423 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 24690227 WHHGWVBMPAAMLD-CYBMUJFWSA-N 364.389 2.249 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 25542068 HIJOSZQJTJCRBI-UHFFFAOYSA-N 374.462 2.499 0 40 FEAB Cc1ccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)nn1 1565545009 WOFLMJWMLCNFCG-GOSISDBHSA-N 362.449 2.123 0 40 FEAB CSc1cccc(C(=O)N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c1 1565520802 QZHVFEGKBQCKLM-UHFFFAOYSA-N 368.466 2.115 0 40 FEAB Cc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1 4251529 NJKKMIMKWGJQSO-UHFFFAOYSA-N 357.391 2.230 0 40 FEAB Cc1ccc(Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9001161 KFTHYNXZENWBJS-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB Cn1cc(C(=O)N2CCC(COc3cccc(C(F)(F)F)n3)CC2)nn1 585532812 XCGCULFQNAKWTR-UHFFFAOYSA-N 369.347 2.160 0 40 FEAB C[C@H]1COC[C@@H](C)N1CN1C(=O)C(=O)c2cc(Br)ccc21 72422400 ADDSAHPSEUENCH-AOOOYVTPSA-N 353.216 2.045 0 40 FEAB COc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 39995583 BKAXKWCAYLMVKG-FUHWJXTLSA-N 359.447 2.336 0 40 FEAB CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1OC(F)F 40090591 WEDYLGKRHDVHQL-LLVKDONJSA-N 369.368 2.186 0 40 FEAB CCOc1cc(C(=O)N[C@H]2CCCCNC2=O)cc(OCC)c1OCC 40092233 BOCWSVQCCBMXDM-AWEZNQCLSA-N 364.442 2.281 0 40 FEAB CCc1nnc(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)s1 21288976 NYSCYGKCYDLORW-VIFPVBQESA-N 354.457 2.184 0 40 FEAB Cc1cc(C)n(-c2nnc(SCc3nc4ccccc4nc3C)n2N)n1 52475602 MHLGXYSGCOOWRV-UHFFFAOYSA-N 366.454 2.338 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3s2)C1 21636607 KJPKIXSAUTWDRF-CHWSQXEVSA-N 364.492 2.437 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2)n1 102608161 VMLRCFXKDZKCPG-BDXSIMOUSA-N 351.406 2.215 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(c2ncnc3cc(Cl)ccc23)C1 32923710 AIHDIMZQAKONNU-NSHDSACASA-N 354.863 2.049 0 40 FEAB COc1ccc([C@H](NC(=O)COc2ccccc2C(N)=O)C2CC2)cc1 21738856 WOYFCYQTENDWBM-LJQANCHMSA-N 354.406 2.440 0 40 FEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nnnn1C1CC1 52798840 IFRMTCOCUUHWPL-UHFFFAOYSA-N 368.363 2.487 0 40 FEAB CCSc1cc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)ccn1 53808498 ZBSZLIUEKBWHQF-KRWDZBQOSA-N 367.540 2.131 0 40 FEAB O=C(NS(=O)(=O)c1cccs1)c1ccc(OC[C@H]2CCCO2)cc1 42243218 LCOHVNVALPVUPE-CQSZACIVSA-N 367.448 2.425 0 40 FEAB NC(=O)CCSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 22845379 XHDPSYNJDOPUBY-CYBMUJFWSA-N 350.419 2.231 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899779 MTRYEHLLDXBELI-UHFFFAOYSA-N 362.426 2.114 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)NCCCn3nc(C)cc3C)CC2=O)cc1 23245982 MTAZUCCRRLIGIZ-IBGZPJMESA-N 368.481 2.363 0 40 FEAB CCS(=O)(=O)CCNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 68056371 BUMLWFWLELPXFM-VIFPVBQESA-N 354.255 2.312 0 40 FEAB COCCCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 4160934 WGFDTYNVLPSNBK-UHFFFAOYSA-N 361.467 2.148 0 40 FEAB COc1ccc(CN(C)CC(=O)NCC(=O)Nc2c(C)cccc2C)cc1 7652858 ZEOAXJOPMYNMBQ-UHFFFAOYSA-N 369.465 2.499 0 40 FEAB CCC(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 6026100 FBYZRYOKVPIJNB-UHFFFAOYSA-N 350.469 2.356 0 40 FEAB CC(=O)c1ccc(OC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 29235943 ZOUXJVNFNOSCTR-QGZVFWFLSA-N 369.352 2.054 0 40 FEAB O=C(c1cccc(Cl)c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 32667797 MYPZPSPKPIRQMC-GJZGRUSLSA-N 357.859 2.148 0 40 FEAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 46111462 KKQNVKAVOKQGFU-SECBINFHSA-N 356.494 2.454 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc2NC1=O 32772919 CHHRRNORVVBOFS-BXUZGUMPSA-N 369.377 2.242 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)Oc3ccccc3N2C(C)=O)cc1 9288681 ZQZHMMCYYZXOPU-MRXNPFEDSA-N 354.362 2.365 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)no1 32841919 ULNIGLLHXBYECN-UHFFFAOYSA-N 356.382 2.042 0 40 FEAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 32913894 HTEWOFUZLBUCNY-YOEHRIQHSA-N 365.437 2.034 0 40 FEAB C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)NC(=O)NC1CC1 21976360 IJUCAEFDLMKAFS-SNVBAGLBSA-N 370.858 2.493 0 40 FEAB CCc1ccc([C@@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 53637414 BFHVKQSITAEYMN-LLVKDONJSA-N 352.442 2.306 0 40 FEAB COc1ccc2[nH]c(C(=O)NCC(=O)Nc3ncc(C)s3)cc2c1OC 12409424 OKYQUQWYJINGFL-UHFFFAOYSA-N 374.422 2.319 0 40 FEAB CCOC(=O)Cn1c(C(=O)OCC)nc2sc3c(c2c1=O)CCCC3 956598 NACTZRMOAJALPH-UHFFFAOYSA-N 364.423 2.077 0 40 FEAB COc1ccc(CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1 23495048 VYMZBGWXUAVFMD-UHFFFAOYSA-N 355.398 2.031 0 40 FEAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1 57395559 ORBDQBJPAMRENH-QGZVFWFLSA-N 366.465 2.223 0 40 FEAB COc1cccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1 12630169 LEXSNYWOKNVSQO-KRWDZBQOSA-N 365.393 2.303 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(Cc2nc(C3CC3)no2)CC1 58182595 GJLJBWNGGFKOTC-UHFFFAOYSA-N 360.845 2.487 0 40 FEAB CCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 20068862 VDAJLYPMVMEOGC-GJZGRUSLSA-N 361.471 2.271 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnc(-c3ccoc3C)n2C)CCO1 58209598 IMLYROYPKNJXCD-LBPRGKRZSA-N 350.444 2.113 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1 12752652 QGBMTKGRVXQZJB-UHFFFAOYSA-N 357.819 2.204 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N(C)CC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 58406061 MPIKDFKIPXXZFS-QAICXNGDSA-N 356.532 2.489 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(O)nc3ccccc23)c1 10547403 XWNZERBJGXQQKC-UHFFFAOYSA-N 371.418 2.242 0 40 FEAB Cc1ccc2nc(COC(=O)c3cccc(C[S@](C)=O)c3)cc(=O)n2c1 10777920 GUZUOEXZCDPLJU-AREMUKBSSA-N 370.430 2.238 0 40 FEAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2ncsc2=S)C1 12733943 MDBOBNPLODZOLK-JTQLQIEISA-N 361.539 2.382 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)[nH]1 16468432 BFOYTSRKNQYTRF-UHFFFAOYSA-N 368.481 2.285 0 40 FEAB COc1cc(OC)c(NC(=O)NCCC(=O)N2CCCC2)cc1Cl 48361851 MEHXITJQGAZYCQ-UHFFFAOYSA-N 355.822 2.491 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCOc3ccccc32)c1 48313750 YNHCKRPMOIRJQA-INIZCTEOSA-N 360.435 2.157 0 40 FEAB COc1cccc(OC)c1OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 12971262 JKCHADCDFFGFBU-UHFFFAOYSA-N 365.407 2.125 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)N1 12940289 GKJGRJMIBYLNJD-UHFFFAOYSA-N 365.389 2.293 0 40 FEAB C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(N2CCc3ccccc32)cc1 63094490 XHPCWOLKIYIWLQ-CYBMUJFWSA-N 359.451 2.257 0 40 FEAB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 63193911 ABGYGNPAZDASEX-SKDRFNHKSA-N 365.268 2.479 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2ccc(Cl)cc2)nc(=O)[nH]c1C 31618318 NBSIFPDZFNNHOO-UHFFFAOYSA-N 367.814 2.249 0 40 FEAB Cc1ccc(N([C@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1C 5002455 QCHGHAGQIMJNMN-CQSZACIVSA-N 350.440 2.367 0 40 FEAB CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1C1OCCO1)c1cccs1 69283350 WNPHGBOXTHKRIA-KGLIPLIRSA-N 352.456 2.069 0 40 FEAB COc1ccc(NC(=O)CN2CCC[C@H](C3OCCO3)C2)cc1Cl 69232418 ISTFNFWJXQKOQY-LBPRGKRZSA-N 354.834 2.372 0 40 FEAB O=C(COc1ccc(F)cc1Cl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 39982343 WGWCKVRYHUTJMH-GFCCVEGCSA-N 361.822 2.036 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)nc1 14014280 PECZXRBCVDGNLB-MRXNPFEDSA-N 361.467 2.258 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 6995447 HXKIRZJXBWPKQH-UHFFFAOYSA-N 360.439 2.412 0 40 FEAB CN(C)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15718008 SGYODQIMURAFFS-UHFFFAOYSA-N 373.478 2.206 0 40 FEAB CN(CC(=O)Nc1cccc2cccnc12)S(=O)(=O)c1ccccc1 24847371 OFNNRPNAEKEDPD-UHFFFAOYSA-N 355.419 2.494 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1C 8921575 GLEKIKJBPYGKSL-UHFFFAOYSA-N 357.341 2.150 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)c1C 9313889 CBHMMZVMHIDGDB-UHFFFAOYSA-N 369.377 2.091 0 40 FEAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c(C)c1 72054834 AECKWTXXLJDHFU-AWEZNQCLSA-N 356.513 2.234 0 40 FEAB O=C(c1cccc2nccn12)N1CCc2c(cccc2N2CCOC2=O)C1 89800224 JRLCUBZQULIIRP-UHFFFAOYSA-N 362.389 2.489 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)NCC[C@H](O)C(F)(F)F)C(C)C)cc1 72288849 MXVFVAQVVWHHLK-KBPBESRZSA-N 360.376 2.179 0 40 FEAB O=C(c1cc(F)ccc1F)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331369 UFDCFVKCDIECPT-UHFFFAOYSA-N 358.344 2.019 0 40 FEAB O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)c1c[nH]c2ccccc2c1=O 84587588 ARRKNJPHUZWLLO-SFHVURJKSA-N 367.449 2.439 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@H]2CCO[C@H](C)C2)nn1-c1ccccc1F 95457825 JSIZRIFUMOUNFG-KGLIPLIRSA-N 359.401 2.225 0 40 FEAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 84721881 DZIYQIUAQFVNJJ-CQSZACIVSA-N 373.457 2.174 0 40 FEAB Cc1cc(C)c(/C=C/C(=O)OC[C@@H]2CNC(c3ncccn3)=NO2)cc1C 85983564 GBFJSUPVIJBRLL-RTRPANQVSA-N 366.421 2.308 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@H]2CC23CCOCC3)C1 75093990 BEGIAGPAQKIKDO-JKSUJKDBSA-N 361.417 2.365 0 40 FEAB Cc1cc(NC(=O)c2ccc3ccn(C)c3c2)n([C@H]2CCS(=O)(=O)C2)n1 79488432 HJAKTZLZZDMLEG-HNNXBMFYSA-N 372.450 2.295 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)ccc1OC 20039240 YNLTXKZCKXKFMN-CYBMUJFWSA-N 362.451 2.403 0 40 FEAB Cc1cc(C)nc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)n1 36741411 ZVLKYRRWIIWDKM-LPHOPBHVSA-N 368.481 2.272 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 40614280 MYYZWJCUBMDFAH-MRXNPFEDSA-N 350.440 2.404 0 40 FEAB CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)cc1 39985205 IDSWJHBDTNFBIS-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCCCCC2)Oc2ccc(Cl)cc21 38835835 PYYHJLSTAZKJHB-HNNXBMFYSA-N 372.874 2.270 0 40 FEAB COc1ccc(S(=O)(=O)NCC(C)(C)c2ccsc2)cc1C(N)=O 1565520378 PFJYMBDPPPHGMS-UHFFFAOYSA-N 368.480 2.112 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)nc1 40286457 ZFEBGYOSEKDQPI-UHFFFAOYSA-N 367.283 2.084 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96240816 IZOYIGCKQIPJFH-KRWDZBQOSA-N 357.454 2.473 0 40 FEAB COc1ccc(CN2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)cc1 96047425 VHCQDBIUATURQR-SFHVURJKSA-N 352.500 2.475 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)n1 96108174 SUFOLHQJLJPOPJ-MAUKXSAKSA-N 357.479 2.425 0 40 FEAB O=C(CCNc1ncccn1)N1CCC(O)(c2ccc(Cl)cc2)CC1 95477982 BOYMWTINFJQWFK-UHFFFAOYSA-N 360.845 2.442 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242543280 JVEFSRVRWZLJPV-QWFCFKBJSA-N 373.474 2.443 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1CC1CCC1 253590931 HSBRWTGSROPGCJ-OAHLLOKOSA-N 353.470 2.314 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1snnc1C)CC2 584237252 QXZUCLOIZGQWJB-ZDUSSCGKSA-N 363.439 2.438 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2ccnnc2)C1 257314957 UZHAZKNIBGYWRZ-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cn1ccnc1CN1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 257223183 DWHAEZMZXWSNNQ-CQSZACIVSA-N 350.430 2.123 0 40 FEAB CCCS(=O)(=O)N1CCN(C=O)C[C@@H]1c1ccc(OC(C)C)cc1 257320937 VZJAYPYKCJXVJJ-QGZVFWFLSA-N 354.472 2.029 0 40 FEAB Cc1oc(-c2ccccc2)nc1CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 625621824 YEXKFJZGVMMCOR-QZTJIDSGSA-N 354.410 2.008 0 40 FEAB O=c1ccc(-c2ccccc2F)nn1Cc1nnc([C@H]2CCCOC2)o1 643645963 SPXNUEVHUCPPNY-LBPRGKRZSA-N 356.357 2.375 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNc1nccc(-c2cnccn2)n1 663258267 DOXVQWVPKWKBCL-SUMWQHHRSA-N 351.414 2.247 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)ncc1I 584277895 ZMZVFHJRMFWWNY-AXTRIDKLSA-N 358.179 2.358 0 40 FEAB C[C@@H]1c2ncc(CCOc3ccncc3)n2CCN1Cc1cnn(C)c1 585097322 INBRJRSZOZQPFO-OAHLLOKOSA-N 352.442 2.210 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4conc4C)C3)C2=O)n1 585100979 PNLNIAFNRJKBRU-HXUWFJFHSA-N 368.437 2.341 0 40 FEAB Cc1ncc(C(=O)NC[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cn1 585284204 GDUMLDWOQJYOMZ-FSPWUOQZSA-N 359.401 2.263 0 40 FEAB O=C1CC[C@@H](C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)CN1 51569817 HSLYQLJFFJGGOX-SNVBAGLBSA-N 369.299 2.325 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615124106 ULQIUIKVZPYEOP-HXUWFJFHSA-N 369.396 2.259 0 40 FEAB CN1Cc2ccccc2NC2(CCN(Cc3nccn3C)CC2)CC1=O 1615528804 CJNMLLYLSHBRRC-UHFFFAOYSA-N 353.470 2.229 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NC[C@H]1CCCO1 11895557 CCWKSXOQGYBBCJ-VPMLRQHESA-N 352.437 2.080 0 40 FEAB CCSc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1 5924072 VZMJTIBPJZEPAL-UHFFFAOYSA-N 358.470 2.409 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2F)n1 12366047 XDCMGZWZOQIKEO-XEWABKELSA-N 357.429 2.249 0 40 FEAB C[C@@]12CCC(=O)N1CCN2C(=O)c1cc(-c2ccncc2)c2cnccc2n1 19461782 JIDFBEQLRXRIJF-OAQYLSRUSA-N 373.416 2.486 0 40 FEAB Cc1ncccc1C(=O)N1CCC[C@]2(CNC(=O)c3ccccc3O2)C1 19582903 UHISXOZTGKBRGZ-FQEVSTJZSA-N 351.406 2.187 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(CCc2ccccc2)CC3)C1 19709530 PNMIBIIPFXHQAQ-IBGZPJMESA-N 367.497 2.105 0 40 FEAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2nccc(OC)n2)CC1 1888869968 XKZUWSPKQWBAGG-UHFFFAOYSA-N 354.458 2.350 0 40 FEAB Cc1c(-c2ccccc2)n(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n12 2398696 QPWYVLXDAWKMGC-UHFFFAOYSA-N 351.410 2.243 0 40 FEAB CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)S[C@H](C)C2 4107909 OCNKLHHKLCWDJI-MRVPVSSYSA-N 368.509 2.487 0 40 FEAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 17178599 JLAHUNDHVBEVKD-LJQANCHMSA-N 373.497 2.015 0 40 FEAB O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 2055713305 XQPWKYSAYFJZCZ-RLFYNMQTSA-N 367.405 2.420 0 40 FEAB Cc1nc2ccccc2n1C1CN(C(=O)Cn2c(=O)oc3ccccc32)C1 1775974519 ULGXDAQMTZGJEY-UHFFFAOYSA-N 362.389 2.336 0 40 FEAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccnn3C(C)C)CC2)cc1 40009477 QRWWUAFLPLHYIL-UHFFFAOYSA-N 369.469 2.427 0 40 FEAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1ccc(C(F)(F)F)nc1 40286455 PQPGJTXARRCRDK-UHFFFAOYSA-N 353.300 2.103 0 40 FEAB CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 8074618 QKZFWDABLNANOY-UHFFFAOYSA-N 351.422 2.389 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@H]1CCOc2ccccc21 8029468 XHKQSEPGLAKDNH-AWEZNQCLSA-N 357.435 2.452 0 40 FEAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(C)C 20744629 TXCADTQQYUTQQZ-RDJZCZTQSA-N 374.416 2.404 0 40 FEAB COc1ccc(CCNC(=N)NC[C@H](O)c2cc(OC)ccc2OC)cc1 58326918 IFZDTGMEBLLXGN-SFHVURJKSA-N 373.453 2.102 0 40 FEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCC(C)CC2)N[C@@H]1c1ccc(F)cc1 8559813 CGAHEZWJOBJDIX-HZPDHXFCSA-N 361.417 2.264 0 40 FEAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 8732517 JBSOAEMRJORDHU-AWEZNQCLSA-N 368.389 2.450 0 40 FEAB CSc1nnc(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)s1 11913924 PZDNKIZCUJZXHS-UHFFFAOYSA-N 359.436 2.367 0 40 FEAB O=C(NC1=NCCS1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 692700 FBSOABSHMOWCQN-UHFFFAOYSA-N 351.387 2.320 0 40 FEAB Cc1ccc(-c2nnc3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n23)cc1 633626 LKJZQUJLESMPQG-SXGWCWSVSA-N 363.398 2.403 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@@H]1C[C@H]3CC[C@H]1C3)C2=O 103434378 RUTXBEPHCXLYSC-FXNYUYLHSA-N 361.486 2.428 0 40 FEAB COc1ccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 22777451 ZSJLTHUFIJHSJY-UHFFFAOYSA-N 356.422 2.447 0 40 FEAB Cn1c(=O)oc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc21 867245 OAYCKVDVLHIMJJ-UHFFFAOYSA-N 367.390 2.082 0 40 FEAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1nccs1 12296854 OHJMNFSHAKDXLR-UHFFFAOYSA-N 355.423 2.331 0 40 FEAB biogenic COc1ccc(-n2nnnc2SCC(=O)Nc2ccnn2C(C)C)cc1 8283809 HUFMTKUBKIRQRR-UHFFFAOYSA-N 373.442 2.179 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(Cc2cccs2)CC1 23263398 CUGFOCYFTTVRBA-OAHLLOKOSA-N 361.515 2.243 0 40 FEAB Cc1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c(C)o1 25132570 YKWZQTGXGGLUMV-UHFFFAOYSA-N 356.831 2.258 0 40 FEAB O=C(NC[C@H]1COCCO1)c1nc(-c2ccccc2)n2c1CCCCC2 55847370 VDLDVJYPUQQWKU-INIZCTEOSA-N 355.438 2.422 0 40 FEAB COc1ccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20236644 ZCFOYBGELZXOQS-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CCn1c(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc2ccccc21 58065249 DGPRTUUCDDJTHQ-QGZVFWFLSA-N 369.465 2.372 0 40 FEAB Cn1c(SCCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 58183804 ZSEDVQAWUKEECY-UHFFFAOYSA-N 364.434 2.448 0 40 FEAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(C(N)=O)CC1 27771886 KJMPJXLKDAJRLS-UHFFFAOYSA-N 357.410 2.208 0 40 FEAB CCc1cccc(CC)c1NC(=O)Cn1nnn(-c2cccs2)c1=O 10660577 SAGBHGBNULHYAK-UHFFFAOYSA-N 357.439 2.254 0 40 FEAB COc1cccc(C(N)=O)c1OCC(=O)N(C)Cc1cccc(Cl)c1 12765135 NAWZCNNBMSSJEU-UHFFFAOYSA-N 362.813 2.485 0 40 FEAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2sccc2-n2cccc2)CC1 48253260 WVDDICAHQQGCKS-HNNXBMFYSA-N 374.510 2.211 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Br)c[nH]1 48237930 GJDPAHZTHMRQPC-UHFFFAOYSA-N 361.199 2.286 0 40 FEAB Cc1cc2nnc(S(=O)(=O)CCO[C@@H]3CCCC[C@@H]3C)n2c(C)n1 48285608 SUOFEYSUKAWCKQ-SMDDNHRTSA-N 352.460 2.110 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)O1 48252839 HWOHYMHVFQYIDJ-MGPQQGTHSA-N 357.410 2.258 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1OC 22496060 CJXRTFJTFVTSHM-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)OC(F)(F)O3)CS2 13001667 YOHNMCPSQHIXOR-LKFCYVNXSA-N 356.350 2.401 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2)cc1 28209453 ASRYRZFSBUVQOA-MRXNPFEDSA-N 358.419 2.313 0 40 FEAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NCC1(N(C)C)CCCCC1 49545607 JAOOFTNFWFOOAF-UHFFFAOYSA-N 361.442 2.012 0 40 FEAB Cc1cc(=O)c(C(=O)NCCCOCC2CC2)nn1-c1ccccc1F 39996925 YIDOZBQRVCYKQV-UHFFFAOYSA-N 359.401 2.227 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 6378131 WWLGYAQNMBZJLT-SFHVURJKSA-N 352.434 2.403 0 40 FEAB biogenic NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Cl)cc1F 14124930 TXUQWVFDEJQWCB-INIZCTEOSA-N 361.804 2.330 0 40 FEAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 14160339 ALUMUZAGYGKXER-SFHVURJKSA-N 365.433 2.117 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 6552989 ZUYXLVHHQVGAHN-NRFANRHFSA-N 365.433 2.203 0 40 FEAB O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1 4682679 ACEPPCUYYYSWSZ-UHFFFAOYSA-N 371.412 2.130 0 40 FEAB COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(OC)cc1 4607846 MMSYLVKHCRBRET-UHFFFAOYSA-N 374.418 2.374 0 40 FEAB O=C(O)CNc1nc(C(F)(F)F)nc2c1cnn2Cc1ccccc1 6649796 OOWAAHJHLFYNIG-UHFFFAOYSA-N 351.288 2.390 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OC(F)F)cc1 6881290 DYWVKFIFSLGQTJ-UHFFFAOYSA-N 362.380 2.444 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2ncnc3nc[nH]c23)cc1 7344073 OAZKUTISDNOWIY-UHFFFAOYSA-N 357.395 2.260 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccncc1 15711601 RHABDOYOSNEYSH-UHFFFAOYSA-N 359.451 2.315 0 40 FEAB COC(=O)c1sc2nc(C)nc(N3CCC(C(=O)OC)CC3)c2c1C 7778559 LKVARWADRMZDLZ-UHFFFAOYSA-N 363.439 2.484 0 40 FEAB CCOC(=O)c1csc(NC(=O)CCCc2nnc3ccccn23)n1 96118096 KGGQGMSJKVQCAU-UHFFFAOYSA-N 359.411 2.324 0 40 FEAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)C(=O)N1CCC(O)CC1 89865387 FYEUQSYSIXVENP-UHFFFAOYSA-N 365.433 2.303 0 40 FEAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)n1 61619994 JNOPWOIZXIDUQG-UHFFFAOYSA-N 356.470 2.000 0 40 FEAB NC(=O)c1cc2c(nc1N1CCC[C@]3(C1)C(=O)Nc1ccccc13)CCC2 72143288 CRGYZXIEIWWFFS-OAQYLSRUSA-N 362.433 2.160 0 40 FEAB CN(CC(=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1)S(C)(=O)=O 72404709 JIPOVIXYABRENN-UHFFFAOYSA-N 374.422 2.185 0 40 FEAB CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc[nH]c2=O)CC1)c1ccccc1 84734216 JQEOFXARNGRSOV-QGZVFWFLSA-N 367.449 2.290 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999136 IADSMKRIZAXTSU-QGZVFWFLSA-N 371.462 2.079 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217524490 KHMFRIDFLWNJSU-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC2CCCC2)cc1 25245906 NNCQWRFAGVXDQV-UHFFFAOYSA-N 370.540 2.408 0 40 FEAB O=C(Cc1csc(-n2cccc2)n1)Nc1ccc(-n2cnnn2)cc1 36708372 UJSLHCUWVCNULZ-UHFFFAOYSA-N 351.395 2.091 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)c(Br)cc21 408526349 BBRPLUMCIHVBMS-UHFFFAOYSA-N 352.110 2.140 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)ccc1C 408625326 RYYSZXZYOSVYGI-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NC1CCCCCC1 71283663 JQNJIHBYCKBMQV-UHFFFAOYSA-N 358.486 2.357 0 40 FEAB Cc1ccn(CCCNS(=O)(=O)c2c(Cl)ccc3nsnc23)n1 32579226 ZCHWFLCEJYIPIU-UHFFFAOYSA-N 371.875 2.218 0 40 FEAB COc1ccc(CCNC(=O)c2cc(-c3cccnc3)[nH]n2)cc1OC 74629727 NHXWSXZILMDNHS-UHFFFAOYSA-N 352.394 2.461 0 40 FEAB biogenic COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 72242059 PJFCGFUGZDVOHB-MJGOQNOKSA-N 353.422 2.316 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222881473 NKXZEOMZNGWKQA-UHFFFAOYSA-N 374.462 2.295 0 40 FEAB NC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1 225735401 PJLRTNAEGPRCLB-UHFFFAOYSA-N 355.781 2.393 0 40 FEAB Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040380 AADCZWHOXDNGAO-APWZRJJASA-N 357.410 2.468 0 40 FEAB O=C(c1ccco1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 96206609 KWHBSWIOLWQVPF-OAHLLOKOSA-N 357.410 2.408 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1 96209555 DHUBYUHGDNNIBQ-RDTXWAMCSA-N 358.467 2.092 0 40 FEAB CN1CCN(Cc2cccnc2)[C@]2(CCN(Cc3ccsc3)C2)C1=O 96229604 UTKVTQWUSKNFKT-IBGZPJMESA-N 356.495 2.062 0 40 FEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(F)cc1OC)C2 96039292 HKZJXSSTOLBPSG-HKUYNNGSSA-N 351.418 2.421 0 40 FEAB CS(=O)(=O)C(Br)(Br)C(=O)c1ccccc1F 96518471 OYMQENVMIGHGHO-UHFFFAOYSA-N 374.025 2.497 0 40 FEAB COc1cccc(C(=O)N2C[C@H](C(=O)N3CCCC3)C3(CCOCC3)C2)c1 96240917 YQHIPCKTQMQZMW-GOSISDBHSA-N 372.465 2.186 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107848 XKCSOAVILJLBGD-BEFAXECRSA-N 356.426 2.059 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N4CCC(O)CC4)[C@@H]31)O2 248337833 QIZZSSZJWRBTRM-WBHLOVLFSA-N 355.434 2.338 0 40 FEAB CCN(CC)C(=O)CN1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257241749 HZLWERSWTKCSBP-GOSISDBHSA-N 369.469 2.462 0 40 FEAB CCc1nnsc1C(=O)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257315131 UZZZLIOUVUTOMG-LBPRGKRZSA-N 358.427 2.216 0 40 FEAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(F)cc1 85467690 TZQAFTLQKOVDOE-KRWDZBQOSA-N 359.376 2.331 0 40 FEAB CC(=O)NC[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1c1cncn1C 1615545599 BKCQTJGRZUEWFD-QZTJIDSGSA-N 360.502 2.459 0 40 FEAB CCc1nc(S(=O)(=O)N2CCN(C)Cc3ccccc32)cn1CC1CC1 585094230 SMIGUXWZWQPJHZ-UHFFFAOYSA-N 374.510 2.496 0 40 FEAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cn2)no1 96001262 OWYBMLSTLIPBLL-CQSZACIVSA-N 357.414 2.444 0 40 FEAB COc1ncccc1NC(=O)[C@@H]1CN(C)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595552 FKLHXIFFMANZJZ-KEYYUXOJSA-N 357.385 2.479 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3n2CCCCC3)c1C 14164863 NOKJFVAGKQCKTI-UHFFFAOYSA-N 373.457 2.099 0 40 FEAB CC(=O)NCC(=O)Nc1nc(-c2cn(C)nc2-c2ccc(F)cc2)cs1 19697054 IPTSZAGGFYDLSM-UHFFFAOYSA-N 373.413 2.424 0 40 FEAB c1nc(N2CCOCC2)ncc1-c1cncn1CCCN1CCCCC1 19719347 HYTMOFBAICEIOH-UHFFFAOYSA-N 356.474 2.053 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(OC)cc3)ccc21 19936731 AJPMGZTWEWUUBI-UHFFFAOYSA-N 362.407 2.102 0 40 FEAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 4475262 CACYOWGGWFRXPB-UHFFFAOYSA-N 350.400 2.073 0 40 FEAB Fc1cnc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)nc1 1888843776 NQDFBAGNCCAXLX-SNVBAGLBSA-N 368.210 2.464 0 40 FEAB Cc1nc(C(=O)N2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cs1 1565553055 ILXZECIQLJQDNU-GUYCJALGSA-N 359.455 2.117 0 40 FEAB COc1ccccc1CNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374091 VKWFKHSTZLTJAR-HNNXBMFYSA-N 357.385 2.439 0 40 FEAB CN(C)CCN(C(=O)C1=COCCO1)c1nc2c(F)cccc2s1 4359295 ISLWVEQDBSJLJB-UHFFFAOYSA-N 351.403 2.218 0 40 FEAB O=C(NCc1ccccc1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9738293 WNTWSSXUAXOZCU-UHFFFAOYSA-N 363.417 2.167 0 40 FEAB Cn1c(=O)c2c(Nc3ccc(OC(F)(F)F)cc3)ccnc2n(C)c1=O 12227476 UMTILTYQXUJYPB-UHFFFAOYSA-N 366.299 2.274 0 40 FEAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1ccc(COC)cc1 2055713384 IEEWXWDQOPQJIP-MRXNPFEDSA-N 355.438 2.339 0 40 FEAB Cc1nc(C(=O)N2CC[C@@H](C(=O)N(C)C)c3nc(C)sc3C2)cs1 2055730035 UCOXGLHIJVKNOC-LLVKDONJSA-N 364.496 2.434 0 40 FEAB CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35876839 YXAQONGAXQMECY-MOPGFXCFSA-N 357.498 2.291 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)c2cncc(Br)c2)c1 40090899 KNUOEFHXOVIYIH-UHFFFAOYSA-N 359.187 2.381 0 40 FEAB COc1ccc(Oc2ccc(CNC(=O)[C@@H](C)n3cncn3)cn2)cc1 40142412 IEFBWFPTAGSWLS-CYBMUJFWSA-N 353.382 2.351 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccnc2)CC1 36451899 KACODYMBPJEZAC-UHFFFAOYSA-N 352.438 2.095 0 40 FEAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)N(C)C 904624 QZLGPNDGQOLNLW-UHFFFAOYSA-N 350.444 2.066 0 40 FEAB CCCc1nc2oc3c(N(CCO)CCO)ncnc3c2c2c1CCCC2 2439707 NFQXIFRBTRJASS-UHFFFAOYSA-N 370.453 2.393 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)o1 31491179 BXCUQYZRUZXEIK-UHFFFAOYSA-N 362.329 2.137 0 40 FEAB Cc1nnc(NC(=O)c2cn(-c3ccccc3Br)nn2)s1 31877569 XJWDRXNPXRLKAC-UHFFFAOYSA-N 365.216 2.442 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCc1nc(-c2cccs2)no1 7216115 YVIIGLUIYASQDP-UHFFFAOYSA-N 368.374 2.251 0 40 FEAB CN1CCCN(C(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124708 VJLNLVUXIAWGDB-PXDUREFJSA-N 354.450 2.211 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OCC 103155541 JFSDGUHUVNAULE-LMSBXDPUSA-N 359.422 2.189 0 40 FEAB COc1ccccc1N(C)Cc1nnc2n(C)c(=O)c3sccc3n12 53267342 JBVPTZVOPKEPPQ-UHFFFAOYSA-N 355.423 2.288 0 40 FEAB O=C(c1ccn(COc2ccc(Br)cc2)n1)N1CCOCC1 27972908 FDHJSXMLHLNMQL-UHFFFAOYSA-N 366.215 2.155 0 40 FEAB CCc1nc(COC(=O)c2ccc(CCNS(C)(=O)=O)s2)cs1 22988819 QGKQIJDJDDVSDK-UHFFFAOYSA-N 374.509 2.216 0 40 FEAB C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCCO2 42347062 LBPAQBNXNPZFRZ-ZDUSSCGKSA-N 363.458 2.465 0 40 FEAB CCn1c(CN[C@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 12529448 SJUIRGHLZKADRH-CYBMUJFWSA-N 352.504 2.441 0 40 FEAB CNC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 24923317 NBXBFRFPRXVQED-UHFFFAOYSA-N 369.421 2.439 0 40 FEAB Cc1[nH]c(C(=O)Nc2cccc(OCC(N)=O)c2)c(C)c1C(=O)OC(C)C 26002273 PFMXIJBYXIYIFD-UHFFFAOYSA-N 373.409 2.313 0 40 FEAB Cc1c([C@@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 57036555 JPRMDZAFTXUCBS-ZIAGYGMSSA-N 364.467 2.037 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1cccs1 57577972 RTKUFIJTRAKUAS-LBPRGKRZSA-N 356.469 2.099 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cccc(Br)c1 8212236 WSZFENDORJKKFU-UHFFFAOYSA-N 369.244 2.400 0 40 FEAB O=C(CN1CCC[C@@H](O)C1)Nc1ccc(NC(=O)c2cccs2)cc1 58190772 CTAGFCMANCMKJQ-OAHLLOKOSA-N 359.451 2.396 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)c1 58293414 KAHHWESBGFKGNJ-UXLLHSPISA-N 362.470 2.418 0 40 FEAB C[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC(C)(C)O1 58222974 YOHUTLWCZQBKMS-CYBMUJFWSA-N 357.410 2.097 0 40 FEAB COc1ccc(CN2CCC(CNS(=O)(=O)N(C)C(C)C)CC2)cc1 58210355 RPZJRFDFCTVRGP-UHFFFAOYSA-N 369.531 2.082 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-n2cnnn2)cc1 3333705 DXZKXXBUXPPNPV-KRWDZBQOSA-N 366.425 2.212 0 40 FEAB CC(C)OC(=O)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 10667344 HDESRWZTHQFPAX-UHFFFAOYSA-N 364.417 2.136 0 40 FEAB CC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1)C1CCCC1 12838127 MUMVFQSABJJMGW-BONVTDFDSA-N 367.833 2.300 0 40 FEAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 3429662 GGYSKCYQCYAXNV-UHFFFAOYSA-N 368.462 2.281 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1C 3414221 RCUINVWFQUDHPS-UHFFFAOYSA-N 374.344 2.351 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC(C(=O)OCC)CC2)c1C 13135243 XJIRUWOEMVEDNR-UHFFFAOYSA-N 364.442 2.266 0 40 FEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 20957063 QYSVFFQBGVYWOW-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB COc1ccc2c(COC(=O)CCNC(=O)c3ccco3)cc(=O)oc2c1 6180270 ZZNFIQLIXXKPJK-UHFFFAOYSA-N 371.345 2.258 0 40 FEAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccn1 5111244 IVDPSYOMWVQFIJ-UHFFFAOYSA-N 369.406 2.337 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4393165 CTXFKMOJUSGMSO-CYBMUJFWSA-N 353.440 2.407 0 40 FEAB COc1ccc(CNC(=O)CCn2cnc3sccc3c2=O)cc1OC 14270752 DVOGYADQDKGREN-UHFFFAOYSA-N 373.434 2.182 0 40 FEAB COc1cccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 14242218 ZUSJOBZFJQGJEV-IBGZPJMESA-N 356.353 2.484 0 40 FEAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 6879483 QIRCLUFQYGUENK-JSGCOSHPSA-N 352.456 2.464 0 40 FEAB Cc1cc(N)nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 7049279 WQGLKJUPNXRWLY-NSHDSACASA-N 360.439 2.108 0 40 FEAB CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 7640510 YEIBYQRQUXKVCV-ZDUSSCGKSA-N 370.471 2.091 0 40 FEAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 16038802 SVODXASRTNDFIO-ZGXWSNOMSA-N 373.412 2.463 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9459994 LEJNYQOEICIRQN-UHFFFAOYSA-N 354.410 2.341 0 40 FEAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 78479805 CGTFXVAXJREHRZ-CHWSQXEVSA-N 359.426 2.355 0 40 FEAB Oc1nc(CN2CCN(c3cnccn3)CC2)nc2ccc(Cl)cc12 97046561 HXCKTVYYDKEOMP-UHFFFAOYSA-N 356.817 2.101 0 40 FEAB CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1ccc(Br)cc1 95943964 SSPNFBJWVODJRM-HNNXBMFYSA-N 358.232 2.272 0 40 FEAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1cc(Cl)ccc1Cl 20635176 LEGIZPRHPGEKRY-ZJUUUORDSA-N 363.222 2.007 0 40 FEAB CCCNC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1C 408626695 VWSIAXYHENGYDN-UHFFFAOYSA-N 356.488 2.228 0 40 FEAB O=C(c1cccnc1)N1CCC(N2CCC[C@H](c3cc(O)ncn3)C2)CC1 1506400203 BNWPAIZYLYTAJU-INIZCTEOSA-N 367.453 2.061 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2c3c(nn2C)CSC3)c1C 524734051 RAAIGBWNFDGTAK-UHFFFAOYSA-N 361.456 2.073 0 40 FEAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)N2C=C1 36741129 BBDADGHXQMSZFR-FVJLSDCUSA-N 372.513 2.334 0 40 FEAB Cc1ccc(F)cc1NC(=O)CSc1nnnn1C[C@H]1CCCO1 32828871 JFWWIYRXXRQVMG-GFCCVEGCSA-N 351.407 2.030 0 40 FEAB COc1ccc(CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 72325760 SZNLJTWQBZQSTF-UHFFFAOYSA-N 373.478 2.391 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1C 30332644 WBCHJBIHSUQCKO-UHFFFAOYSA-N 351.424 2.370 0 40 FEAB O=C1N[C@]2(COC3(CCN(C(=O)c4ccco4)CC3)C2)Nc2ccccc21 72325202 GXHIWXZODWPULE-HXUWFJFHSA-N 367.405 2.227 0 40 FEAB Cc1nn(C[C@@H](C)C(=O)N2CCN(CCOC(C)C)CC2)c(C)c1C 72390334 HNIZXYXYIZPDIF-OAHLLOKOSA-N 350.507 2.014 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 40051458 FXACSTYYLZGEPL-MRXNPFEDSA-N 353.378 2.155 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 19654498 HEKDVWZYPWMLTI-AWEZNQCLSA-N 352.442 2.190 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cn2cnnn2)CC1 40286839 RQMURJQDHQACDU-UHFFFAOYSA-N 352.442 2.320 0 40 FEAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc(-c2ccncc2)[nH]n1 576930145 UYCAYHQHYLGZRK-UHFFFAOYSA-N 362.368 2.978 0 40 FEAB Cc1occc1C(=O)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96229132 FAXBFDLBGJBDPP-LJQANCHMSA-N 356.426 2.137 0 40 FEAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3nnn[nH]3)n2)cc1 95481816 DSEZOOKNBHTTDU-UHFFFAOYSA-N 363.337 2.178 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96216187 XDJWHPLRMSFUGR-PXNSSMCTSA-N 353.422 2.457 0 40 FEAB COc1cc(N2CC3(C[C@H](OCc4cnccc4C)CCO3)C2)ncn1 247831520 LMYVZVJMZDFGCO-MRXNPFEDSA-N 356.426 2.143 0 40 FEAB O=C(C1CCOCC1)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 247866796 OXIKWISVDMKACZ-MRXNPFEDSA-N 360.454 2.285 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]1c1ccccc1 257285831 PJCAQMFNLZMYRQ-MJGOQNOKSA-N 371.437 2.178 0 40 FEAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)c1 257317388 VJOSUKSORMIBCF-KRWDZBQOSA-N 355.486 2.148 0 40 FEAB CCn1cc(C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)c(C)n1 626583743 RQVYGXFGXBQQKV-UHFFFAOYSA-N 370.482 2.487 0 40 FEAB COc1cc(Cl)c(CNC2CCN(CCN(C)C)CC2)cc1OC 631039333 FUQFTBJUWVAFOX-UHFFFAOYSA-N 355.910 2.473 0 40 FEAB CCc1cc(NC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)n(C)n1 649739467 WXCYGNZMOCRNQA-UHFFFAOYSA-N 354.414 2.192 0 40 FEAB Cc1cc(CNC(=O)c2c(C)nn(C)c2OC[C@H]2CCCCO2)nc(C)n1 606442401 DHYPLLVXIRTDGM-MRXNPFEDSA-N 373.457 2.013 0 40 FEAB CC[C@@H](NC(=O)C1(c2ccccc2F)CCCC1)C(=O)N1CCOCC1 674531842 YYALDNYLMHGSET-QGZVFWFLSA-N 362.445 2.391 0 40 FEAB CCc1noc(C)c1C(=O)NC/C=C/CNC(=O)c1cccc(OC)c1 1775996846 KNMZISUMBWPDDN-AATRIKPKSA-N 357.410 2.270 0 40 FEAB CCc1cccc(CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)c1 1775961369 WBDPSBTXDRAKNI-UHFFFAOYSA-N 354.454 2.109 0 40 FEAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN([C@@H]2CCNC2)CC1 97819470 ILNSJXAWWRZPJH-QGZVFWFLSA-N 367.453 2.385 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)N(C)c3ccccc3)CC2)o1 51097893 UTSZKRQCBNCVGO-UHFFFAOYSA-N 355.438 2.445 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1 1646236330 XJWVQDGJNGWSIT-UHFFFAOYSA-N 353.426 2.356 0 40 FEAB O=C(O)c1cc(NC(=O)c2c[nH]c3ccccc3c2=O)cc(C(=O)O)c1 5491525 HYHCEAUFHPVINP-UHFFFAOYSA-N 352.302 2.177 0 40 FEAB CC(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 13686817 BPLBWGAOPFSXAX-STQMWFEESA-N 368.480 2.146 0 40 FEAB NCCn1nc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 19293384 FNNYQDKGYILLLO-CQSZACIVSA-N 356.861 2.428 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)nc(O)c2C1 19590229 HYONWHANIUOWOD-OAHLLOKOSA-N 358.486 2.456 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 4359883 SSFCJYBKRHVNBM-INIZCTEOSA-N 353.422 2.342 0 40 FEAB Cc1nc2ccccn2c(=O)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 13707498 PYVKJHOEZJRGBE-LBPRGKRZSA-N 367.361 2.138 0 40 FEAB Cc1nc(C(=O)N2CCc3nn4ccc(N5CCCC5)nc4c3C2)cs1 2055713469 TVGGXONMFXDLIX-UHFFFAOYSA-N 368.466 2.293 0 40 FEAB COCc1nsc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1 1775975915 QHIKIHMAZJPVEY-UHFFFAOYSA-N 368.466 2.468 0 40 FEAB CCc1c(C)ncnc1N1CCN(c2cc(C)nc3cc(C)nn23)CC1 1775975715 MPWPUKDLSREHME-UHFFFAOYSA-N 351.458 2.334 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@@H]1c1cccc(O)c1 95115997 QEVSHLYMMKEMJB-GOSISDBHSA-N 371.462 2.464 0 40 FEAB C[C@H](OC(=O)Cc1ccc2c(c1)CCC2)C(=O)NC(=O)NCC(F)(F)F 26398888 SQPCJIYAIQRHIW-JTQLQIEISA-N 372.343 2.038 0 40 FEAB CCCCOc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1 101495853 XEVGYKSYYQIEEL-UHFFFAOYSA-N 369.425 2.476 0 40 FEAB COc1ccc([C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C(C)C)cc1 39983221 AMYQOBNHULUYCO-QGZVFWFLSA-N 373.453 2.373 0 40 FEAB COc1ccc2nc(C)c(C(=O)NCc3cccnc3-n3cncn3)cc2c1 40108927 ZHAOKVUTHTVQFC-UHFFFAOYSA-N 374.404 2.458 0 40 FEAB CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2-n2cccc2)cn1 40121325 GWBHMLZIGMKWTK-UHFFFAOYSA-N 352.442 2.382 0 40 FEAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc2[nH]cnc2c1 30690216 KEOVNCGQFQTOFM-LJQANCHMSA-N 350.422 2.366 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)n2)cc1 7499574 IWHOCQLSGYKCLZ-INIZCTEOSA-N 359.451 2.490 0 40 FEAB C[C@H](NC(=O)COc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 10967927 HFJNAECQAHEMDG-LBPRGKRZSA-N 351.399 2.485 0 40 FEAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cn(CC)nc1C 17075842 PXVKLBWHGJCODB-LLVKDONJSA-N 370.335 2.197 0 40 FEAB Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2)n1 1223622 RKFALIJNBNYXHR-UHFFFAOYSA-N 354.233 2.134 0 40 FEAB C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619289 CMBDLVIIDRDTHT-HNNXBMFYSA-N 364.453 2.396 0 40 FEAB NC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 6508816 JFCDEVURNVHIOC-UHFFFAOYSA-N 366.406 2.040 0 40 FEAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 7230425 BTMBZSYYXRVKEN-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCCCCCC2)cc1 45640831 ZBEINEUUIIMQIH-UHFFFAOYSA-N 353.488 2.249 0 40 FEAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1cccc(C(F)(F)F)c1 11330994 PWOIVNZSIOIINU-UHFFFAOYSA-N 358.345 2.095 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCCCC3)c[nH]c2c1 32093989 SNDQHCXJPNQROH-DKFQHHCZSA-N 371.393 2.359 0 40 FEAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N1CCC[C@H]1C(=O)O 11866820 KGRXOVGCSWWERT-BZNIZROVSA-N 371.389 2.125 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC[S@](=O)Cc2ccccc2)cc1 32765039 QEOULUGAOFAHQI-HSZRJFAPSA-N 367.492 2.265 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)c1ccccc1S(C)(=O)=O 32707903 OLIXUXBZPKCJTM-UHFFFAOYSA-N 352.364 2.217 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 103029682 GBQXAAOANBJVOQ-NXKWAJLKSA-N 367.430 2.350 0 40 FEAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1 32902723 DRZORCRAQAVTEG-UHFFFAOYSA-N 356.469 2.061 0 40 FEAB O=C1NCCCC[C@@H]1Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 58341954 NEXUTRNQNWLQKF-CJNGLKHVSA-N 373.478 2.336 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)CCc1c(C)nn(C)c1C 23013632 DRHAVRYJLJKBHG-UHFFFAOYSA-N 362.499 2.196 0 40 FEAB O=c1[nH]c(CN2CCN(CC(F)(F)F)CC2)nc2sc3c(c12)CCC3 23249131 ICZGHANUZPNVEG-UHFFFAOYSA-N 372.416 2.153 0 40 FEAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nc(N)cc(N)n2)cc1 12537996 LCEUDHUKYVFSFI-UHFFFAOYSA-N 369.454 2.174 0 40 FEAB COc1ccc(C(=O)NCC(=O)N(C)CCOc2ccccc2C)cc1 24221260 JRZHNIBZPDGHRB-UHFFFAOYSA-N 356.422 2.271 0 40 FEAB CN(C)Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 24810007 NLRVXJZZJFAIDL-HOTGVXAUSA-N 357.454 2.252 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1)[C@H]1CCCO1 106525050 BROLNPSKZBXNIC-PURYLZLUSA-N 360.454 2.281 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NOCc2ccccc2)cc1 25037381 CSUWYOBMWGNOBD-SFHVURJKSA-N 374.462 2.396 0 40 FEAB CC(C)c1nnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 25324006 URMRCGMTPOPUPK-UHFFFAOYSA-N 365.459 2.197 0 40 FEAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 25764478 NIAPNSAWYBGWMH-MOPGFXCFSA-N 362.514 2.346 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)NCCc2c(F)cccc2F)c1 57110648 MWTJOEPOMAAARG-UHFFFAOYSA-N 354.378 2.309 0 40 FEAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F 35307946 HMONGVNOGFEVQD-UHFFFAOYSA-N 356.401 2.296 0 40 FEAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)O)c1OC 3209303 UGWBWWQLGYGIJU-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)C/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1 62001796 WGHBXBWXUZQIKP-SDXDJHTJSA-N 362.341 2.281 0 40 FEAB biogenic Cc1noc(C)c1CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 108420948 NLZPSNJHBKDCDN-SFHVURJKSA-N 356.470 2.279 0 40 FEAB NS(=O)(=O)c1ccc(OCCSc2ccc3c(c2)OCCO3)cc1 7695909 NQFBOEPOMPNUFN-UHFFFAOYSA-N 367.448 2.276 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2NC1=O 12790652 FENAQTJSRIRLOV-GXFFZTMASA-N 351.362 2.471 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@@H]2c1cccnc1 111999915 BWLCJLPBUGUJHN-OAHLLOKOSA-N 362.328 2.065 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1O)N1CCN(c2nccs2)CC1 48324872 IHGIFHDPXXYKDN-UHFFFAOYSA-N 358.345 2.225 0 40 FEAB O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8071876 BBFQFTIHXJYMCX-CQSZACIVSA-N 350.440 2.002 0 40 FEAB Cc1ccc(C(=O)CSc2nnc3[nH]c(=O)c(C(C)(C)C)nn23)cc1 4251420 FMJCBKFLRVKEHA-UHFFFAOYSA-N 357.439 2.394 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccccc2)c2nnn[nH]2)c(OC)c1 13942899 QLXXMGHCDGWFPK-OAHLLOKOSA-N 353.382 2.182 0 40 FEAB CNc1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 14021745 HSSLRKXUKUHAKS-QMMMGPOBSA-N 352.441 2.106 0 40 FEAB O=S(=O)(c1ccc2[nH]c(COc3ccccc3)nc2c1)N1CCOCC1 6498372 UPNSNSLJBWGWPN-UHFFFAOYSA-N 373.434 2.163 0 40 FEAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 4783846 CYNZXBYRORJCTH-UHFFFAOYSA-N 368.499 2.326 0 40 FEAB C/C(NCCc1ccccc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 5624592 IRORXWRISHLQPQ-OBGWFSINSA-N 363.417 2.371 0 40 FEAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(c2ncccn2)CC1 6849868 OBKDDIFNGBUCDW-UHFFFAOYSA-N 362.865 2.253 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(C(=O)OC)c2)cc1 20489197 MHFCBQVOVHHLKL-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB O=C1CN(C(=O)COC(=O)CSCc2ccccc2)c2ccccc2N1 6943031 HQGUODVJXXMPOH-UHFFFAOYSA-N 370.430 2.448 0 40 FEAB CCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O 19320070 RFIKAABEJSOEQU-UHFFFAOYSA-N 353.466 2.131 0 40 FEAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnc(NC(C)C)s1 9451432 AONRFUCQHSAZKA-JTQLQIEISA-N 360.505 2.154 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)N1CC[C@H](Oc2cccnc2)C1 97137585 SPGXTQAIRSRJKE-AWEZNQCLSA-N 359.407 2.206 0 40 FEAB O=C(O)[C@H](CNS(=O)(=O)c1cccc(F)c1F)Cc1cccs1 97101864 PFSCQBGMBPRNFP-VIFPVBQESA-N 361.391 2.248 0 40 FEAB CC[C@](C)(CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C)[C@@H](C)O 89942059 DZYXWHLXDCDRCX-WIBUTAKZSA-N 364.486 2.363 0 40 FEAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](C)CCc1cccn1C 95466056 WQDOIIPCCSLFII-LBPRGKRZSA-N 368.455 2.267 0 40 FEAB C[C@H]1C[C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)CCO1 95457893 OXOYTRUEYZDKSM-JKSUJKDBSA-N 354.450 2.430 0 40 FEAB COCCC(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 95998487 ZMAHRMMLZUWUNW-SFHVURJKSA-N 357.454 2.485 0 40 FEAB COC(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 89401161 YWOOXKYAPQKYEX-ZDUSSCGKSA-N 369.377 2.214 0 40 FEAB Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccccc1Cl 409171315 ZUGLCJNNEYUWJM-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB CN(C)[C@H](CNC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 32747846 LRQQWSWNSHUQGK-GOSISDBHSA-N 367.449 2.221 0 40 FEAB CCc1nnc([C@@H]2CN(C(=O)c3ccc(Cn4cccn4)cc3)CCO2)o1 548662304 LESBEUYGZQVNOL-INIZCTEOSA-N 367.409 2.091 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 4096155 YCLWEYIBFOLMEM-FZPGBCFJSA-N 362.466 2.070 0 40 FEAB biogenic,in-vitro O=C(Cn1ccc2ccccc21)NCCn1nc(-c2ccco2)ccc1=O 38488826 NZZDIBQHUMXHRF-UHFFFAOYSA-N 362.389 2.274 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 33363617 UBWZMPMLSDJDSU-OVWROTJASA-N 370.486 2.014 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218653675 LKTKXNZPVNDZGW-KZNAEPCWSA-N 364.898 2.498 0 40 FEAB Clc1cccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 158699896 CUGJSGVXEFNXAI-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB CCn1nc(C)c2nc(C(C)C)nc(N3CCN(c4ncccn4)CC3)c21 226688524 MSXOUKKWGHSKAO-UHFFFAOYSA-N 366.473 2.395 0 40 FEAB O=C(CN1CCSC1=O)Nc1nc2ccccc2nc1N1CCCC1 40025148 BGTSQFVVQYNIPB-UHFFFAOYSA-N 357.439 2.337 0 40 FEAB O=C(Cc1cccs1)NCCN1Cc2cc(Cl)ccc2OCC1=O 225772417 FHLDFNGBAPYARB-UHFFFAOYSA-N 364.854 2.481 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O 577778945 KBICROGNTXAMCM-IYWMVGAKSA-N 363.498 2.295 0 40 FEAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCCO3)C1 583619756 DDHOTCVOZPPJBG-DOMZBBRYSA-N 358.360 2.271 0 40 FEAB O=C(CCc1ccccc1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 247873269 RWFJSFOZGUTQTF-KRWDZBQOSA-N 353.422 2.248 0 40 FEAB NC[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495194 FZAWCYLHPHPMGY-BBWFWOEESA-N 369.845 2.356 0 40 FEAB O=C(COc1ccc(F)cc1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 247753760 YATRWNGMPJXUOO-SFHVURJKSA-N 359.401 2.239 0 40 FEAB O=C(NC[C@@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1 247495901 OCKZYYXEYDHKBA-QGZVFWFLSA-N 353.470 2.330 0 40 FEAB C[C@H](NC(=O)c1cccc(C(=O)O)c1)c1ccccc1NS(C)(=O)=O 534907021 XVXZYTMKDRMFQI-NSHDSACASA-N 362.407 2.247 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 257303315 SGSDJTMSRJRSKE-GOSISDBHSA-N 359.451 2.244 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCC(c2ccnc3ccnn23)CC1 257326041 WVNPSRAKLPWYDV-UHFFFAOYSA-N 356.451 2.439 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1cncs1)C[C@H]2c1ccccc1 257283466 OYLQRCMIOMPGHR-NMLBUPMWSA-N 371.506 2.340 0 40 FEAB COc1cc(CCC(=O)N(C)[C@H]2CCCN(c3cccc(C)n3)C2)on1 257226645 FLNVLIZKAMZHEP-HNNXBMFYSA-N 358.442 2.447 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2nccn2C)CC1 257332453 XXJVTMAPYKBRIR-JFIYKMOQSA-N 369.469 2.229 0 40 FEAB COc1nc(C)cc(C)c1CNC(=O)N[C@@H]1CCO[C@H]1c1cccnc1 623096986 NIZRLJLTWURPAU-SJORKVTESA-N 356.426 2.431 0 40 FEAB O=C(O)[C@@H]1CCCN1C(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21 630175039 PJVBRNNMCYCQMV-ZOBORPQBSA-N 350.212 2.410 0 40 FEAB Cc1noc(COC2CN(C(=O)[C@@H]3CC(C)(C)Oc4ccccc43)C2)n1 644203929 PIFPMMVBUOFQKB-OAHLLOKOSA-N 357.410 2.450 0 40 FEAB Cn1cnc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 96025772 JNIOJPAUYVEKOW-IBGZPJMESA-N 371.462 2.273 0 40 FEAB COc1ccc(CCC(=O)N2CCc3ncncc3C2)c(OC)c1OC 96122776 QDGGEQYNSMXOJV-UHFFFAOYSA-N 357.410 2.020 0 40 FEAB O=C(CSc1ccncc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605336 JSBJAYJWCFKQLK-LBPRGKRZSA-N 350.831 2.297 0 40 FEAB CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H](O)C1=O 585088724 WMUVEVNFOJTVKD-SJLPKXTDSA-N 350.434 2.355 0 40 FEAB COc1ccccc1[C@H](C)N(C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 48831492 FMQYQTGMIKVRQI-QWHCGFSZSA-N 357.497 2.135 0 40 FEAB CC(=O)N1CCN2CC(=O)Nc3cc(-c4ccccc4)ccc3OC[C@@H]2C1 1772594456 BMDIBXPZLSFARA-SFHVURJKSA-N 365.433 2.217 0 40 FEAB C[C@H]1CCCCN1C(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 12239880 LSLPGOFZVSBBHT-NSHDSACASA-N 359.817 2.099 0 40 FEAB COc1ccccc1NC(=O)CSc1nc(O)c(CC(C)C)c(=O)[nH]1 13453811 OJYRNDGJNHMWID-UHFFFAOYSA-N 363.439 2.413 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccco1 15936081 HNFJIGDCBJKQKC-UHFFFAOYSA-N 352.387 2.002 0 40 FEAB Cc1ncc(CNc2ccc(N3CCN(CCO)CC3)c(Cl)c2)cn1 19287295 GJVISPMNUKTQRM-UHFFFAOYSA-N 361.877 2.165 0 40 FEAB CN1CCC2(CC1)CN(CC(=O)NC1CCCC1)C(=O)c1ccccc1O2 19588388 KSAZLJDEGNNGSO-UHFFFAOYSA-N 371.481 2.044 0 40 FEAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)CC3)C1 19709547 GTLLAZKYEQCRJO-QGZVFWFLSA-N 359.518 2.442 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C1 4468894 UTRGKGPWIRBVAW-PZPWOCDFSA-N 369.465 2.275 0 40 FEAB CCc1ncnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)c1F 1776008296 AIDRRROXWNGCDW-UHFFFAOYSA-N 365.416 2.357 0 40 FEAB Cn1cnc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037846734 WRIFJEAVHVQMHC-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)CCCn3cncn3)CC2)cc1C 2037915934 BYZSVQNBXMLMFS-UHFFFAOYSA-N 372.469 2.108 0 40 FEAB O=C([C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCC(F)(F)CC1 2087136679 JLRSBHFLOUHBAY-OAHLLOKOSA-N 360.351 2.423 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541917 QPWMGJKCHWXUKK-HNAYVOBHSA-N 356.447 2.215 0 40 FEAB O=C(N1CCC[C@]2(COCCN(Cc3ccccn3)C2)C1)C1(F)CCC1 1565546254 XKGUPQHUBWKIDY-LJQANCHMSA-N 361.461 2.415 0 40 FEAB CCSc1nnc(NC(=O)c2cnc3sc(C)cn3c2=O)s1 4517333 QTNHTOVPTSOIAZ-UHFFFAOYSA-N 353.454 2.280 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 12180130 QMGKANATMRUCEC-FUHWJXTLSA-N 358.486 2.192 0 40 FEAB Cc1ccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c(C)c1 17025898 ZMROTFKJSSYLHM-UHFFFAOYSA-N 351.410 2.025 0 40 FEAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2OC)C1=O 17269381 BPNWIBPVOUBYOA-OKILXGFUSA-N 350.440 2.293 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c(C)c1 49403972 IUPAQDRHUDFVKY-UHFFFAOYSA-N 370.434 2.210 0 40 FEAB O=C1C[C@@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1CCc1ccccc1 367956712 MJQGJWIGASBJJY-QGZVFWFLSA-N 369.465 2.332 0 40 FEAB COc1ccc(CC(=O)NC[C@@]2(O)CCOc3ccccc32)cc1OC 85470328 OTEABRPQGJTNFV-FQEVSTJZSA-N 357.406 2.033 0 40 FEAB COc1cccc(CO[C@@H](C)C(=O)NCc2ccnc(-n3cccn3)c2)c1 40094001 GOHOVRNEGBJXTB-HNNXBMFYSA-N 366.421 2.497 0 40 FEAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40058431 RVABICWWYZAZCW-INIZCTEOSA-N 361.829 2.285 0 40 FEAB CS(=O)(=O)NC1(C(=O)NCCc2c[nH]c3ccccc23)CCCCC1 40155384 GXTZLGGFLAPYEO-UHFFFAOYSA-N 363.483 2.079 0 40 FEAB CC1CCN(Cc2ccc(CNC(=O)CN3CSCC3=O)cc2)CC1 31200898 VTVCUTNCKYIUAB-UHFFFAOYSA-N 361.511 2.068 0 40 FEAB COc1ccc(OCC(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1 100849800 NSPFMPPBZJDQLA-UHFFFAOYSA-N 357.391 2.217 0 40 FEAB CN1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2ccccc21 51276234 AEGKIAYNLUFAJZ-CVEARBPZSA-N 370.497 2.310 0 40 FEAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 68822541 JZCWBGULLMDZHJ-AWEZNQCLSA-N 368.499 2.182 0 40 FEAB Cn1cccc1/C=C(/NC(=O)c1cccs1)C(=O)NCCN1CCCC1 4983469 UFOLGHLTNBFCAW-JQIJEIRASA-N 372.494 2.070 0 40 FEAB COC(=O)c1cc(CNC(=O)NCc2ncc(C)c(OC)c2C)oc1C 51755691 SHXJMHVEAVHHRG-UHFFFAOYSA-N 361.398 2.394 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1c(F)cccc1Cl 6149673 OQVABZTUJOBXFB-UHFFFAOYSA-N 354.765 2.387 0 40 FEAB CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 6418629 RGCABDBAGSYNCO-UHFFFAOYSA-N 353.378 2.242 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1cccc(F)c1 10297481 QUPQNDISSFXNNF-AWEZNQCLSA-N 351.301 2.263 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1OC(F)(F)F 32837414 DISCEVTTZJWIFI-UHFFFAOYSA-N 364.283 2.329 0 40 FEAB Cc1cccn2c(=O)cc(COC(=O)CCc3nc(C(C)C)no3)nc12 32936210 JMASFYARHYDINA-UHFFFAOYSA-N 356.382 2.185 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 21894192 BZTCWLKBVZZVHM-ZDUSSCGKSA-N 353.378 2.153 0 40 FEAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 22741138 LFCXMSWHHUYSRQ-AWEZNQCLSA-N 356.494 2.487 0 40 FEAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)nc2)[nH]c2c1C(=O)CCC2 22189073 BIRXUPKSYXUUMW-UHFFFAOYSA-N 354.410 2.326 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3cccnc3)=NC2=N1 940737 CTDSFWAHCYIJJK-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB COc1ccc(CN2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1 23248887 CZDCTWHUJWYFPP-UHFFFAOYSA-N 370.478 2.311 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 57122938 LWJWTKLYMCLDKJ-UHFFFAOYSA-N 371.361 2.426 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)c1 26541535 BNFAFPSXRRIQFL-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H]2Cc3ccccc3O2)cs1 44499407 OXXLWVNNDIUISQ-AWEZNQCLSA-N 359.451 2.400 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)/C=C/c1cccnc1 58162466 YYJURZUWAZAAFJ-HEWZJLJBSA-N 353.422 2.405 0 40 FEAB CN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58393581 HHLKASMKDWXDAB-CYBMUJFWSA-N 352.429 2.185 0 40 FEAB Cc1ccc(S(=O)(=O)c2nc([S@@](=O)CCO)sc2Cl)cc1 28051562 XPCQLFIXGRGVHH-HXUWFJFHSA-N 365.885 2.038 0 40 FEAB Cc1nc(C(=O)N2CC(=O)Nc3ccccc32)nn1-c1ccc(F)cc1 12779254 IPGFVSXAFZRBCN-UHFFFAOYSA-N 351.341 2.314 0 40 FEAB O=C(NCCc1ccccn1)c1ccc(C(=O)NCCc2ccccn2)cc1 12730994 IZLITJVWXZKXPU-UHFFFAOYSA-N 374.444 2.422 0 40 FEAB CCc1nnc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)s1 12914645 HWNOKVBAPOCMJK-UHFFFAOYSA-N 366.365 2.450 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)CN(C)[C@@H](C)c2ccccc2)c2ccccc2O1 12987841 BMFAZEDIKAQUFV-KXBFYZLASA-N 367.449 2.220 0 40 FEAB CCOCC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12933602 NLWOVIWEEWPERI-UHFFFAOYSA-N 351.406 2.488 0 40 FEAB COC(=O)[C@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(C)C 13000223 NICUINBYCVJOOR-CYBMUJFWSA-N 350.806 2.157 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 6226508 KSSJGMYVDXAYET-UHFFFAOYSA-N 351.453 2.063 0 40 FEAB CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 14118421 LCSNOIOOYLTOPN-UHFFFAOYSA-N 369.468 2.258 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 14180725 AZWCOKIODNXUSO-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)N1CCCC1 14239212 MDODVZHGIIQBBH-CJNGLKHVSA-N 364.417 2.134 0 40 FEAB CCN(C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)C1=CCCCC1 6552620 HKAOXFZURIGWRU-UHFFFAOYSA-N 369.421 2.284 0 40 FEAB O=c1c2cnc(NCc3ccc(F)cc3)nc2nc(O)n1Cc1ccco1 67263874 ULNJDOHOLHGVHE-UHFFFAOYSA-N 367.340 2.285 0 40 FEAB O=S(=O)(NCCCOC1CCCCC1)c1ccc2c(c1)OCCO2 15359764 RASMLOCPIIKQTK-UHFFFAOYSA-N 355.456 2.476 0 40 FEAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC[C@]2(CCCOC2)C1 80102545 GZCRUHIRXYPRME-SFHVURJKSA-N 359.451 2.245 0 40 FEAB CNC(=O)[C@H]1CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2O1 7253792 QTYOYSSOULXCBC-MRXNPFEDSA-N 350.378 2.250 0 40 FEAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 18209074 DNHODRZUCGXYKU-BGYRXZFFSA-N 372.428 2.418 0 40 FEAB biogenic,in-vitro NC(=O)c1ccccc1NS(=O)(=O)c1cccc(Br)c1 13135474 SFKCKQIYMGZNAU-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB CC(=O)N[C@@]1(CC(=O)Nc2ccc(F)cc2)C(=O)N(C)c2ccccc21 9134178 VFHUKELDUJQYKC-LJQANCHMSA-N 355.369 2.162 0 40 FEAB CCc1noc2ncc(S(=O)(=O)N3CC[C@H](Oc4cccnc4)C3)cc12 97140050 DIJLLTCBLTZQNT-ZDUSSCGKSA-N 374.422 2.022 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)OCc1cncc(Br)c1 95954268 DILIVVCOQRZCOL-SECBINFHSA-N 350.234 2.099 0 40 FEAB CCS[C@@H](C)c1noc(CN(C)CC(=O)N(C)CC(F)(F)F)n1 89274793 ABTIKFMGCAYVIN-VIFPVBQESA-N 354.398 2.336 0 40 FEAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(CCC(C)C)c3n2)c(=O)o1 1547138222 CEZYEOUTNLINDN-UHFFFAOYSA-N 357.366 2.177 0 40 FEAB biogenic CC(C)[C@H]1NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 21701930 JLPXSDHGXOKWFU-LHZUZIDFSA-N 361.486 2.284 0 40 FEAB COc1ccc([C@](O)(CCN2CCOCC2)c2ccc3c(c2)OCO3)cc1 31623916 ARBLWOAVYXCWCG-OAQYLSRUSA-N 371.433 2.382 0 40 FEAB Cc1ccc(N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3cccnc32)cc1 65183423 DUQFEKNGCMWBAG-UHFFFAOYSA-N 370.434 2.251 0 40 FEAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(Cl)sc1Cl 547874175 QIGSLJHKESFHMM-RNFRBKRXSA-N 374.267 2.213 0 40 FEAB COc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cc1F 306136421 PSZDGUATJFQFGD-HDMKZQKVSA-N 371.412 2.428 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218034900 MKBAIRRQJRJAHB-AOIWGVFYSA-N 359.447 2.135 0 40 FEAB O=C1CCC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 564587754 DQZAFISVUGNWEX-CYBMUJFWSA-N 352.316 2.498 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2ccccc2=O)o1 32899674 GZTXNTOIOXSMRM-UHFFFAOYSA-N 352.346 2.148 0 40 FEAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 33024158 SLYUFBDSHOQHHZ-CQSZACIVSA-N 357.237 2.457 0 40 FEAB O=C(CSc1ccc(F)cc1)NCCN1Cc2ccccc2OCC1=O 225769984 SJJHPACYDMODHS-UHFFFAOYSA-N 374.437 2.455 0 40 FEAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccccc1Br 77107186 NCQHAGBGPCTNTB-GFCCVEGCSA-N 368.318 2.232 0 40 FEAB N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCCO3)C1 583619759 DDHOTCVOZPPJBG-WFASDCNBSA-N 358.360 2.271 0 40 FEAB C[C@H]1CN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)CC[S@@](=O)C1 581057701 LQJLIUGZVJGYOD-UOXLDJKESA-N 361.471 2.229 0 40 FEAB O=C(c1ccc(O)cc1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257302742 SECZOJUYUDWSMY-GOSISDBHSA-N 368.424 2.481 0 40 FEAB COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@@H]2Cc1ccccc1 257343863 ZURUPSNPZYCMGU-BFUACXKISA-N 372.509 2.392 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257207145 BGNMKYQQEDSVJD-AWEZNQCLSA-N 359.430 2.162 0 40 FEAB O=C(CCc1ccccc1F)N1CCO[C@H](CCc2cc(O)ncn2)C1 257236506 HCMOACPYGLIQOA-MRXNPFEDSA-N 359.401 2.114 0 40 FEAB COc1ccc([C@@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1O 257309584 UBLXNVXMRPLHLO-PBOLBBRVSA-N 361.438 2.453 0 40 FEAB COc1ccc2[nH]nc(NC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)c2c1 613135834 UTULLVZVMBWCGL-IUODEOHRSA-N 355.398 2.411 0 40 FEAB CO[C@@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)[C@@H]1CCOC1 666562930 YNFAFTBCHWINGF-SJKOYZFVSA-N 373.384 2.463 0 40 FEAB C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)[C@H]1C(=O)[C@H](CO)N(C)C1=O 575623571 JTDBLZHVKWRMGZ-IJSJDRDLSA-N 373.493 2.395 0 40 FEAB in-vitro COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 585103820 DCSRGOWUBDQILD-HNNXBMFYSA-N 369.483 2.292 0 40 FEAB Cc1ccc(COc2ccc(C=c3sc4n(c3=O)CCN=4)cc2)cc1 585680293 CGHMDXMGXFRWMV-UHFFFAOYSA-N 350.443 2.259 0 40 FEAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1c[nH]nc1Cl 1561738095 KRFMJQZKKKZKRW-CYBMUJFWSA-N 351.815 2.228 0 40 FEAB Cn1nnc2cc(NC(=O)c3nc(N4CCCC4)ncc3Cl)ccc21 648531993 OTOJDIIMBCRIBU-UHFFFAOYSA-N 357.805 2.264 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)n1 2393329 RPEHDXGXEJLCRE-VMPITWQZSA-N 350.835 2.263 0 40 FEAB CC1(C)C(O)=NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)N21 5861622 GNGTYDVXUHHKCG-JTQLQIEISA-N 366.830 2.130 0 40 FEAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(N)=O)C3)cc2N1 12182910 YLUNUKSSNLUXBH-GMXVVIOVSA-N 359.396 2.101 0 40 FEAB CC1CCN(CC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 12186104 QUVJGQGTTBMRBB-CQSZACIVSA-N 350.484 2.312 0 40 FEAB CC(C)(C)N1C[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)CC1=O 12219841 MPZOHYCBCWFFOK-KGLIPLIRSA-N 369.469 2.311 0 40 FEAB C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sccc1C(N)=O 12259825 HJMHKVDVRXDLCM-SSDOTTSWSA-N 353.473 2.382 0 40 FEAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)c4ccccn4)C3)nc12 12276429 VZEVNLDAVUOAHV-CYBMUJFWSA-N 351.410 2.330 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 19211320 DGJCTXMGOZFMLD-CYBMUJFWSA-N 371.422 2.013 0 40 FEAB O=C(CCCN1C(=O)CCC1=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 19375773 RXGKFPKHBMCVCH-AWEZNQCLSA-N 368.437 2.198 0 40 FEAB O=c1cc(CCn2ncc3c2CCCC3)nc(NCCc2ccccn2)[nH]1 19401365 LEPZZOKVMPQDCT-UHFFFAOYSA-N 364.453 2.138 0 40 FEAB Cc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1C 19946668 TZPIPUBQYYOJKP-UHFFFAOYSA-N 360.479 2.428 0 40 FEAB CCOc1cc(OCC)c(/C=C2/NC(=O)NC2=O)cc1Br 4526102 BUOATCAHYIPCGH-UXBLZVDNSA-N 355.188 2.427 0 40 FEAB O=C(NCCC1=CCCCC1)C1CN(c2cc(-n3ccnc3)ncn2)C1 575605004 KBYWPUMUWJUGSP-UHFFFAOYSA-N 352.442 2.105 0 40 FEAB COC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 7212195 AQWGXVLGYBVIPK-UHFFFAOYSA-N 368.274 2.084 0 40 FEAB COc1nn(C)cc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 883972951 AVIOEXIDIPTMQJ-UHFFFAOYSA-N 351.410 2.392 0 40 FEAB O=C(CCn1cccn1)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056223781 ALNUQJIZMDEAGB-KDURUIRLSA-N 353.470 2.039 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(CC4CCCC4)CC[C@H]3C2)nc1 2056224241 MUXZFMMWOBYOBB-CALCHBBNSA-N 358.486 2.459 0 40 FEAB CSc1nccc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)n1 2086988571 FPEKTRPCQXXYPJ-UHFFFAOYSA-N 365.466 2.377 0 40 FEAB O=C([C@@H]1CN(c2nc3cnccc3s2)CCO1)N1CCC(F)(F)CC1 2087131806 YICDHTBEDFWYFV-LBPRGKRZSA-N 368.409 2.154 0 40 FEAB CC1CCC(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)CC1 1565544324 IHSVCEBWOARGBA-GMNCBBECSA-N 351.535 2.066 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 1565547075 KAXPMPNAIWPDCL-CMKODMSKSA-N 371.412 2.133 0 40 FEAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(F)cc1 2952377 WHCYKOXCJBYMLB-UHFFFAOYSA-N 369.396 2.316 0 40 FEAB COC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21 4359024 DTSADOQHDWSTIZ-UHFFFAOYSA-N 364.357 2.380 0 40 FEAB O=C(Cc1cccs1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 10251827 NMGISADUYRNKOT-UHFFFAOYSA-N 369.381 2.096 0 40 FEAB COc1ccc2nccc(N3CCN([C@H](C)C(=O)NC(C)C)CC3)c2c1 2086869128 VZJUEJQBFHBMJC-OAHLLOKOSA-N 356.470 2.279 0 40 FEAB CCc1cc(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)nc(C2CC2)n1 2086854841 YAGBVBNGVYDVEV-KRWDZBQOSA-N 357.502 2.048 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)O)c(=S)[nH]c2c1 2969911 XMPLMDFRCFNLJA-UHFFFAOYSA-N 350.396 2.491 0 40 FEAB NC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 10218990 PGKIKEGGKXMSQA-UHFFFAOYSA-N 370.427 2.179 0 40 FEAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19335735 LHWMMZPGNFPKLS-SFHVURJKSA-N 370.428 2.394 0 40 FEAB COc1c(C)cc(S(=O)(=O)NC[C@](O)(c2ccco2)C2CC2)cc1C 75154969 FQZBHQDHASJBOX-GOSISDBHSA-N 365.451 2.481 0 40 FEAB CCCNC(=O)c1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 40134400 BALDXQKPDBGRTD-KDOFPFPSSA-N 361.467 2.219 0 40 FEAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703212 YZBWAFSEYZADDN-HNNXBMFYSA-N 367.405 2.307 0 40 FEAB O=S(=O)(c1ccc(Br)cc1)n1cnc2c(S)ncnc21 6225705 NJSYAIMNFYZPQK-UHFFFAOYSA-N 371.241 2.115 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Br)c1 9042535 JFWMTUJXGCDBDT-UHFFFAOYSA-N 374.194 2.091 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 29079682 VPEZURLLNROXCU-UHFFFAOYSA-N 369.420 2.084 0 40 FEAB O=C(NCCc1ccco1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8263239 BSEHSQRSVKYVKY-UHFFFAOYSA-N 374.418 2.324 0 40 FEAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476157 PPLVXTMQIJDNMC-CYBMUJFWSA-N 354.472 2.398 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1cccc(Br)c1 8534495 JLJKMQJHDLTDLE-ZAZJYDDPSA-N 352.184 2.432 0 40 FEAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@@H](C2)N1C(=O)CCN 100222792 FZJODZHBADYZGP-HOCLYGCPSA-N 366.469 2.223 0 40 FEAB COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1 53574281 RSBDSDFRFIMECR-UHFFFAOYSA-N 353.378 2.451 0 40 FEAB O=c1c2cnn(-c3ccccc3)c2ncn1C[C@H]1COc2ccccc2O1 32722800 SCEFWGWCFCWFFC-HNNXBMFYSA-N 360.373 2.422 0 40 FEAB COc1cc(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc(OC)c1 32808559 ODERTQGXJXATKY-VMPITWQZSA-N 356.378 2.220 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)c1cccnc1 32916092 DAAUKEJHQWESBR-UHFFFAOYSA-N 353.831 2.303 0 40 FEAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)NCc1ccccc1 958848 HETWRPPEPQUVCF-UHFFFAOYSA-N 354.435 2.048 0 40 FEAB CC1(C)OC[C@@H](COc2c(F)c(N3CCOCC3)nc(F)c2Cl)O1 1258240 WNOOCLQDMXSNLZ-SECBINFHSA-N 364.776 2.380 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccs1 25010464 ZQDYWZSQCXIDAU-LBPRGKRZSA-N 350.465 2.346 0 40 FEAB CCOc1cc2c(cc1CN1CCN(C)[C@]3(CCNC(=O)CC3)C1)CCC2 107408644 DZVLJLMEEWUHEL-JOCHJYFZSA-N 371.525 2.360 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2C(N)=O)c1 58183999 UQXLZZKJKLYWOW-UHFFFAOYSA-N 374.828 2.191 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)o2)C1=O 58181502 CXWQPLDFCPUWER-LJQANCHMSA-N 371.393 2.311 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1 27905990 VTCBTJKWZPFVOA-GOSISDBHSA-N 365.437 2.274 0 40 FEAB C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)NC1CCCCC1 10655615 SGAJOYPZZPPKQE-AWEZNQCLSA-N 356.426 2.321 0 40 FEAB CCCc1nnc(S)n1CC(=O)N(C)CCOc1ccccc1F 24214663 DCAXXXCFWQBYNM-UHFFFAOYSA-N 352.435 2.196 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC(C)C)c1 22230152 RAZTZGYWTAEBSC-MRXNPFEDSA-N 368.499 2.319 0 40 FEAB Cc1ncc(CN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)s1 48364786 HARLIBVPFPKJFV-AWEZNQCLSA-N 350.440 2.190 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)CCn2c(=O)oc3ccccc32)CC1 12803979 SZSGDUOIPMFKNN-CQSZACIVSA-N 360.410 2.175 0 40 FEAB O=C(Nc1ncccn1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12877853 QIAQSSGXLKVXTM-JTQLQIEISA-N 361.199 2.231 0 40 FEAB O=C1COc2cc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc2N1 12800691 XJNAEWPOYCHQMH-UHFFFAOYSA-N 365.389 2.296 0 40 FEAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(Br)cc1F 8319497 LTGSMDHUDWQCNG-LURJTMIESA-N 360.212 2.231 0 40 FEAB Cc1nn(C/C=C/c2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1 8351866 IKUQNOHEXHHCQE-RMKNXTFCSA-N 361.467 2.234 0 40 FEAB COc1ccc(CCN2CC(=O)N3Cc4ccccc4C[C@@H]3C2=O)cc1 4029839 DAQZAPRPEFOALM-LJQANCHMSA-N 350.418 2.033 0 40 FEAB biogenic COc1ccc(-c2csc(CN3CCN(C(C)=O)CC3)n2)cc1OC 63864438 GDUFURINIUKTNR-UHFFFAOYSA-N 361.467 2.491 0 40 FEAB Nc1nsc(N2CCN(C(=O)CCSc3ccc(F)cc3)CC2)n1 75109525 AFRNROWKPYNGQY-UHFFFAOYSA-N 367.475 2.090 0 40 FEAB Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(F)c1 4877209 LBWUFMSMWDOJQW-UHFFFAOYSA-N 357.414 2.207 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN(CCOC)CCOC)c(OC)c1 6904385 MLOHZAVXDIVOHQ-FUTAKVPZSA-N 353.459 2.063 0 40 FEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)CC)ncn3n2)cc1 15772653 DESKKTNHEZGEHN-ZDUSSCGKSA-N 353.426 2.035 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 7622666 ZUJVEFLEXKZFJW-UHFFFAOYSA-N 364.423 2.037 0 40 FEAB O=C(NC1CCCCC1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 9217332 JRTXPIWKRVGOKB-INIZCTEOSA-N 351.472 2.113 0 40 FEAB CCO[C@@H]1C[C@H](OC(=O)Cn2nnc3ccccc3c2=O)C12CCCCC2 84800867 IABWEEQOVBBPKQ-SJORKVTESA-N 371.437 2.463 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 79192471 LPTWCXNOBVMYIA-KRWDZBQOSA-N 373.453 2.224 0 40 FEAB biogenic O=C(O)[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 95960918 UJSIDDXJFSCUSV-AWEZNQCLSA-N 351.834 2.417 0 40 FEAB COc1ccc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)cc1O 79478791 DHZHAEAVJWSNMD-UHFFFAOYSA-N 369.381 2.279 0 40 FEAB COc1cccc(CN(Cc2cc(=O)n3nccc3[nH]2)C[C@@H]2CCCO2)c1 66496725 XQZTVVAIXCYOGQ-SFHVURJKSA-N 368.437 2.212 0 40 FEAB COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 409340076 QBEOFQCWKDCXJJ-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(C)C 1907656 GTLGIRWPQZLHMU-SJCJKPOMSA-N 361.394 2.183 0 40 FEAB biogenic CS(=O)(=O)N1CC[C@H](C(=O)N2CCc3ccccc32)Oc2ccccc21 30947008 KGFIPXMYKDDPTP-GOSISDBHSA-N 372.446 2.193 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCOc1ccccc1)C2=O 39998467 JHLMUBNYENXLDZ-YWZLYKJASA-N 373.453 2.072 0 40 FEAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 35485353 WNYJHPPZISCSFD-OALUTQOASA-N 357.498 2.291 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 33363618 UBWZMPMLSDJDSU-XNLPWMHUSA-N 370.486 2.014 0 40 FEAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NCc1ccccn1 72404084 NQHWNMDIXCIWAR-UHFFFAOYSA-N 360.215 2.364 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](C)C2)cc1 225499488 CNGXRUGIOMIKRP-CYBMUJFWSA-N 356.513 2.288 0 40 FEAB CCc1nn2c(nnc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccccc1 40388382 ZPCMLAGSWUTOSQ-NSHDSACASA-N 363.377 2.314 0 40 FEAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N(C)Cc3ccccc3)snc2c1=O 49409899 ABKYRYAUURHQKM-UHFFFAOYSA-N 372.450 2.075 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 225387290 UOFPJYHEMIAOMM-SECBINFHSA-N 353.300 2.196 0 40 FEAB CN(C)c1ncc(-c2cc(C(=O)N3CCC[C@@H](O)C3)n(CC3CC3)c2)cn1 96266415 JCQCQBVYFNNRAK-QGZVFWFLSA-N 369.469 2.018 0 40 FEAB CC(C)CS(=O)(=O)N[C@H](C)c1onc(-c2cccnc2)c1C(=O)O 96297054 RLWUGDNYZPIZFB-SNVBAGLBSA-N 353.400 2.071 0 40 FEAB biogenic,in-vitro CC(C)Oc1ncnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96255660 RBYFOLMLHKBTII-UHFFFAOYSA-N 355.394 2.234 0 40 FEAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccs2)[C@H](C(=O)O)C1 96198766 WHGCNHKZWDOEMO-GJZGRUSLSA-N 359.451 2.333 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@H]2CCN1CCCC1 248045584 WVJDFJCMFIKHJI-QGZVFWFLSA-N 364.511 2.261 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]23)cc1 257244945 INKVJAIQFYTYLN-GUDVDZBRSA-N 352.438 2.045 0 40 FEAB C[C@H]1[C@H](C)CC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ncc[nH]1 585138645 XLRWWZWBCMFLAA-AGIUHOORSA-N 372.491 2.112 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516835 XDSNOFOTBQUVAA-UXLLHSPISA-N 365.838 2.309 0 40 FEAB CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4)[C@@H]3O)ccc21 257229799 FZNGHZXFIRINBV-GUDVDZBRSA-N 367.453 2.398 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260808050 FBEMCAWLUBJHAB-WSMBLCCSSA-N 366.483 2.155 0 40 FEAB CN1C(=O)[C@@H](NC(=O)c2cccc(OCC(F)F)n2)Cc2ccccc21 617497121 NFDOBTUZVZAXCJ-ZDUSSCGKSA-N 361.348 2.043 0 40 FEAB C[C@]1(C2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)NC(=O)NC1=O 673941074 CXQNCKUOLUTREQ-GOSISDBHSA-N 374.828 2.272 0 40 FEAB O=C(Nc1ccc2nn[nH]c2c1)C1CN(c2cc(-c3ccccc3)ncn2)C1 390827277 GAHUSJLVXDGRAW-UHFFFAOYSA-N 371.404 2.490 0 40 FEAB COCCN1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 585102078 QIMZHGZNEDNKKM-OAQYLSRUSA-N 371.481 2.362 0 40 FEAB C[C@@H]1[C@H](C(=O)N2CCC(c3ncc(C(N)=O)[nH]3)CC2)[C@@H]1c1ccccc1 685943645 ZTVKPALXCVFKMY-ZLIFDBKOSA-N 352.438 2.264 0 40 FEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)c1cccc3c1OCC(=O)N3)O2 95991668 VISXZRJFDRGWQH-FWHMADFJSA-N 360.410 2.069 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1Cl 96380248 WLRJTUZRWDGYEE-UHFFFAOYSA-N 365.904 2.092 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)c1 1256917539 KMZVCCAFAYFATF-UHFFFAOYSA-N 351.403 2.156 0 40 FEAB Cc1cc(SC(=O)c2cnccn2)nc(SC(=O)c2cnccn2)n1 5537567 CUNLBIPIQMLADL-UHFFFAOYSA-N 370.419 2.230 0 40 FEAB COCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC1CC1 5861184 OHDBGFABTUORFA-CYBMUJFWSA-N 360.483 2.275 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCOC3)nn2c1O 12161808 VJYMLSSVDYGGDF-BBRMVZONSA-N 358.442 2.396 0 40 FEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184778 OSQUKUJNMBEZBW-LJQHDNKASA-N 370.449 2.190 0 40 FEAB Cc1ncccc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225247 LHDOZKHYCOGOGT-UHFFFAOYSA-N 351.406 2.187 0 40 FEAB COc1ccccc1OCCN(C)C(=O)Cn1c(=O)oc2ccc(C)cc21 12290613 URGZYJGKQIKWMD-UHFFFAOYSA-N 370.405 2.449 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)cc21 12428009 YDXIWVYDLUXKAY-AXFHLTTASA-N 370.858 2.499 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc1 13063370 UWFXTOFSORFDDH-UHFFFAOYSA-N 371.462 2.062 0 40 FEAB O=C(CC1CCCCC1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268114 QQSRSNMYUDHMNE-UHFFFAOYSA-N 353.426 2.494 0 40 FEAB O=C1C[C@@H](c2cc(=O)[nH]c(N3CCCCCC3)n2)CN1Cc1ccccn1 19401470 BMPTWMGKWYEIDT-OAHLLOKOSA-N 367.453 2.061 0 40 FEAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 19573665 AMFZWMZXLUHNLM-UKRRQHHQSA-N 358.417 2.197 0 40 FEAB COc1ccccc1Cc1nnc(NC(=O)CCc2nc(C)no2)s1 19658149 NWLSAUPRITUTKC-UHFFFAOYSA-N 359.411 2.400 0 40 FEAB COC(=O)c1cc(I)cn1CCBr 145395108 CORBUKCCWPMZLC-UHFFFAOYSA-N 357.973 2.274 0 40 FEAB Cc1c(NC(=O)c2cc3c(nn2)CCCC3)c(=O)n(-c2ccccc2)n1C 1888901285 XWMRLZWBCAZJCI-UHFFFAOYSA-N 363.421 2.406 0 40 FEAB O=C(c1ccc(Br)s1)N1CCN(c2cnccn2)CC1 25832979 PFEYQJLKXJAMPF-UHFFFAOYSA-N 353.245 2.263 0 40 FEAB O=C(c1cnco1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037983741 DLWUAYUTYMGRBN-LJQANCHMSA-N 355.394 2.103 0 40 FEAB C[C@H]1CN(c2ncnc3ncn(C)c23)CCN1Cc1cc(F)cc(F)c1 2086992593 BEJSKDFVYXPCLK-LBPRGKRZSA-N 358.396 2.352 0 40 FEAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)CCF)CC2 1565554144 KXBHLCIWTAJBCJ-UHFFFAOYSA-N 361.442 2.360 0 40 FEAB O=C(CCCc1ccccc1)N1CCCN(c2ccc3nncn3n2)CC1 1565523661 WRFFYCKQWPMPKD-UHFFFAOYSA-N 364.453 2.186 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 1565542611 RJNYQWFNVCZPJC-DENIHFKCSA-N 364.445 2.428 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)o1 2055704335 NJZGIVSBGLSYJV-IJEWVQPXSA-N 360.435 2.053 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OCC)c1 7553132 AEFKGUCWMJWLPT-HNNXBMFYSA-N 350.440 2.450 0 40 FEAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2cccnc2)cnn1-c1ccccc1 19374440 SJYVEWYNLAIKKX-KRWDZBQOSA-N 361.405 2.337 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)Oc3ccc4ccccc4c3)ccc21 68868899 RFRMNORNDXZSSR-UHFFFAOYSA-N 353.355 2.491 0 40 FEAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccc(C)cc2)C1=O 100749531 ITUDISPPZOMWDW-GDNBJRDFSA-N 365.393 2.273 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc1 30434230 OBZVHCJVIMNMGW-UHFFFAOYSA-N 357.410 2.431 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 11463105 BMCDSYRKPCETBF-UHFFFAOYSA-N 373.356 2.149 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)OCC(=O)c1ccc2c(c1)OCO2 7555579 HTJLGQFOTQIWCU-UHFFFAOYSA-N 356.330 2.155 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 10706468 IVLOGLCMYNBAAT-UHFFFAOYSA-N 372.368 2.424 0 40 FEAB CCSc1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102297072 XULZBAOTZLEHPC-AOOOYVTPSA-N 368.484 2.154 0 40 FEAB COC(=O)C[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cccs1 32900780 OHZKGJBAUZNWGN-OCCSQVGLSA-N 374.418 2.258 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3ncsc3c2)C1=O 9750713 REKBJGYRSBIPJU-SFHVURJKSA-N 366.402 2.408 0 40 FEAB O=C1COCCN1c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1 41379029 JAQHQNIZUTYCCC-UHFFFAOYSA-N 364.398 2.131 0 40 FEAB O=C(OCC(=O)N1CCCc2ccccc21)[C@H]1COc2ccccc2O1 2659173 PYJAISYNGVLKEA-GOSISDBHSA-N 353.374 2.349 0 40 FEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cn1ncn(C)c1=S 29889424 VEMIRVCWENUKST-UHFFFAOYSA-N 373.404 2.333 0 40 FEAB CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O 54360968 BBVGSZXAKXDHQG-LCYFTJDESA-N 367.858 2.054 0 40 FEAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178339 OSQUKUJNMBEZBW-IWMXFIMRSA-N 370.449 2.190 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccnc1-n1cncn1 47122088 UKODXXIJKTWKFU-UHFFFAOYSA-N 374.404 2.485 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)c1 75164043 IBAHADFBNGRQNP-QGZVFWFLSA-N 366.377 2.051 0 40 FEAB COc1cccc(N(CCCC(=O)NC2CCCC2)S(C)(=O)=O)c1 113967425 VDUDEKBKNDSLNE-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB COc1ccc(COC[C@H](O)Cn2c(NCCO)nc3ccccc32)cc1 12548358 GKNQZXCSEKBUSS-MRXNPFEDSA-N 371.437 2.027 0 40 FEAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nnc(C)o1 58015919 SKDLJYSBVPHEHB-AWEZNQCLSA-N 361.398 2.058 0 40 FEAB Oc1ccc([C@@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232565 OXDRSKRIYZZQPM-MRXNPFEDSA-N 359.349 2.236 0 40 FEAB NC(=O)[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccccc1 10268150 OBYRNUUMRMSCOU-QGZVFWFLSA-N 355.419 2.156 0 40 FEAB C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3nc[nH]n3)cc2F)C[C@@H](C)O1 76091899 YITGJSXRDJXFNU-VXGBXAGGSA-N 362.409 2.221 0 40 FEAB COC(=O)c1cccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c1 7692632 IZZGKGWLIDDOSN-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cn2cncn2)cc1 48277812 FCZGOIZIICOEMM-UHFFFAOYSA-N 364.405 2.370 0 40 FEAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 48301894 HKHHNAVAPVXWCO-HZPDHXFCSA-N 370.497 2.389 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 12921833 HYTVDGYHWLUXGW-KRWDZBQOSA-N 374.462 2.032 0 40 FEAB CC(C)=C[C@@H]1[C@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1(C)C 39559029 LOOSFZRTJGOVFK-MLGOLLRUSA-N 356.426 2.149 0 40 FEAB CCOC(=O)c1sc2nc(C)nc(N3CCN(C(C)=O)CC3)c2c1C 6561711 XDKLMOIRAHOCGC-UHFFFAOYSA-N 362.455 2.153 0 40 FEAB CC(=O)Nc1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 14632477 CWSXGJMVGLXKHU-GJZGRUSLSA-N 364.398 2.486 0 40 FEAB CCCn1c(N)c(C(=O)CSc2ccc3ccccc3n2)c(=O)[nH]c1=O 5627292 UZRZJRAVTJCTQM-UHFFFAOYSA-N 370.434 2.052 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 8395681 ICTCOMASIBHPBL-SFHVURJKSA-N 365.393 2.472 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 25105336 ADXPEABRPITELT-OAQYLSRUSA-N 364.445 2.269 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1cccc(F)c1)C2=O 8940754 YAOLPMBUFQQZAN-ORAYPTAESA-N 361.417 2.285 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1 9002277 OEECHWJWJGGXRJ-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CCOC1 96014136 IASOKYDHAPZAEX-YVEFUNNKSA-N 351.834 2.339 0 40 FEAB Cc1ccc2c(c1)N(C(=O)COC(=O)[C@H]1COc3ccccc3O1)CCO2 72330866 REXXVAGXAVMOGX-GOSISDBHSA-N 369.373 2.104 0 40 FEAB CCN(CC)C(=O)Cn1nc(C(=O)OC)c(Br)c1C1CC1 95452521 PICFHEJVNRVBIT-UHFFFAOYSA-N 358.236 2.178 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3ccc4nsnc4c3)CC2)cs1 95456800 FGDSWQUMEBIQFK-UHFFFAOYSA-N 359.480 2.414 0 40 FEAB Cc1cc(N2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)n1 95469779 KCAVAOKMJBSBMP-UHFFFAOYSA-N 353.470 2.330 0 40 FEAB CSc1ccc(-c2csc(NC(=O)Cn3ccc(=O)[nH]c3=O)n2)cc1 9953179 JCQZNEHXAKHDOR-UHFFFAOYSA-N 374.447 2.021 0 40 FEAB COC(=O)/C=C(\Nc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 21946367 JSLOMZBLMPFYBY-WJDWOHSUSA-N 354.362 2.170 0 40 FEAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 36093537 LUMKJOWRBZJZOT-KFWWJZLASA-N 368.499 2.259 0 40 FEAB Cn1c(O)nc2ccc(C(=O)NCc3ccccc3N3CCOCC3)cc21 503414362 XLSUIDRIDIVITA-UHFFFAOYSA-N 366.421 2.046 0 40 FEAB Oc1cc(I)c(O)c(I)c1 5783951 TXLWEPPRCDCHRB-UHFFFAOYSA-N 361.904 2.307 0 40 FEAB biogenic,in-vitro CC[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1nc(C)cs1 188551819 BPWKLFYJAKJURC-KGLIPLIRSA-N 354.520 2.389 0 40 FEAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC 218208924 HWYPYRVZECPIFU-RDBSUJKOSA-N 362.289 2.084 0 40 FEAB CCCn1nc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1=O 36624519 GZEZGOKGVCFNFU-AWEZNQCLSA-N 351.410 2.330 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)n2ncnc2n1 35313387 YZBPZBMGGTYUEN-ZDUSSCGKSA-N 354.389 2.427 0 40 FEAB O=C(Cc1noc(C(=O)NC2CCCCCC2)n1)NCc1ccccc1 36359690 UYRYKCUQZANYGS-UHFFFAOYSA-N 356.426 2.381 0 40 FEAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)s1 49030766 LMZVKRSXSHNLQI-UHFFFAOYSA-N 360.464 2.475 0 40 FEAB CCOc1ccccc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225163667 LRENLKDYELTUSR-INIZCTEOSA-N 363.435 2.402 0 40 FEAB Cc1cccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc12 226035126 OYMBKWPZXZCTQS-UHFFFAOYSA-N 358.375 2.001 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1OC 45203051 ZPYFBHJHIBBMSO-INIZCTEOSA-N 359.378 2.169 0 40 FEAB Cc1cc(Sc2ncccn2)nc(NC(=S)NC[C@H]2CCCO2)n1 225909819 SLDMRBIWWFEISZ-LLVKDONJSA-N 362.484 2.192 0 40 FEAB Cc1ccccc1C(=O)N1C[C@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96240833 WJMUNZIOIHFFPF-GOSISDBHSA-N 356.466 2.390 0 40 FEAB Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 577851939 QCWDMVXYXDPFOH-KXBFYZLASA-N 350.422 2.267 0 40 FEAB Cn1cc(CN2CC[C@@]23CCN(c2nccc(C(F)(F)F)n2)C3)cn1 96076111 QHERZIJIIKPGLC-OAHLLOKOSA-N 352.364 2.084 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96048684 WCZLXXXBIIOMTR-FQEVSTJZSA-N 350.422 2.132 0 40 FEAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(C(C)C)c2ccccc23)cn1 96144462 KLVRFZQKDAVGRA-TZIWHRDSSA-N 366.465 2.357 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccccc1C(F)(F)F 96121113 GJFAHOVGYKFWKV-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)cs1 248032566 MGPFLNDCHCGRET-HNNXBMFYSA-N 366.483 2.268 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 242548428 LKTKXNZPVNDZGW-SQNIBIBYSA-N 364.898 2.498 0 40 FEAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2)nc1 257302967 SFEUUQZRGWFVDJ-IBGZPJMESA-N 353.422 2.460 0 40 FEAB Cc1nc2ccccn2c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 257294416 QUAOUHHITOMJRW-OAHLLOKOSA-N 351.406 2.484 0 40 FEAB CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cncc(-c2cnc(N)nc2)c1 257298976 RODYKFJBIISCAL-QGZVFWFLSA-N 361.405 2.197 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(F)cc2nc[nH]c12 619294845 QZGHFEDXUMZNDJ-APPDUMDISA-N 357.389 2.333 0 40 FEAB O=C(c1cc(C2CC2)no1)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962871 RFMGMBWPUVCNJY-UHFFFAOYSA-N 373.453 2.186 0 40 FEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCn2nc(C3CC3)cc2C1 390829922 HNJVBUNDBRAOFY-UHFFFAOYSA-N 364.405 2.070 0 40 FEAB CCO[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 390823187 VQCWRPMIHXJERW-MLMGXCOMSA-N 371.477 2.361 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCn3ccc(C)n3)C2)cc1 585271617 IADMOISQVODBGI-HXUWFJFHSA-N 357.454 2.323 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)COc3cccnc3)C2)cc1 585274063 ZTKKXMXHGZZOOA-HXUWFJFHSA-N 356.422 2.201 0 40 FEAB COCc1c(C(=O)N[C@]2(C(=O)OC)CCOC2)sc2cccc(F)c12 79071141 PWCMKDWKXSYMOS-QGZVFWFLSA-N 367.398 2.249 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 106135218 GBWJUBACLCACNA-UKRRQHHQSA-N 372.498 2.052 0 40 FEAB Cc1cc(NC(=O)Cn2oc3cc(Br)ccc3c2=O)on1 1613821074 DGTOSJPQCKJKAN-UHFFFAOYSA-N 352.144 2.292 0 40 FEAB Cc1ccc(CNC(=O)Cn2ncc3c4oc(C)cc4n(C)c3c2=O)o1 12145122 NMJKOXXIZQANFK-UHFFFAOYSA-N 354.366 2.007 0 40 FEAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(C(N)=O)CC1 12791428 OEQBYJIXEVGQSE-UHFFFAOYSA-N 361.423 2.239 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 14048977 HOQOWMWBLSTQTD-UHFFFAOYSA-N 352.387 2.003 0 40 FEAB O=C(CN1CCCCC1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19344718 FAQCJFJFKOUMAO-CYBMUJFWSA-N 362.455 2.184 0 40 FEAB CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1 19452746 KQLWEKXAQMAVTM-AWEZNQCLSA-N 371.441 2.060 0 40 FEAB O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857025 YCDWLJXCTUYULF-MRXNPFEDSA-N 350.484 2.287 0 40 FEAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1onc2c1CCCC2 612235560 LEXCQQYTMOCUGK-AWEZNQCLSA-N 361.348 2.367 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 219322115 AZGQCEDXQTYMJD-AWEZNQCLSA-N 368.405 2.120 0 40 FEAB COC1CCN(c2cnn(-c3ccc(C(=O)O)cc3)c(=O)c2Cl)CC1 13462551 HLONMGODCVYQLR-UHFFFAOYSA-N 363.801 2.199 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)nc2ccccc21 1888856968 DHWDPXOPBRAIDD-DAYGRLMNSA-N 354.454 2.037 0 40 FEAB CN(C)c1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)nn1 1888897308 UBMLDKFHNHDRMK-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Cc1cn2nc(N3CCN(c4cc(C)nc5cc(C)nn45)CC3)ccc2n1 1888913991 SPINVSVRTUUKRW-UHFFFAOYSA-N 362.441 2.024 0 40 FEAB O=C1[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C(=O)N1Cc1ccccc1 1888930610 ZCBPZRVBJOFCTJ-HZPDHXFCSA-N 358.401 2.251 0 40 FEAB CSc1ncc(Br)c(=N[C@H]2CCN(C3CCOCC3)C2)[nH]1 1889072774 FPAPTRQEOWQOCU-JTQLQIEISA-N 373.320 2.048 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1nc2ccccc2c(=O)[nH]1 14185703 INWJLIWFIWLRRX-LBPRGKRZSA-N 361.361 2.422 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)s1 2037985632 QDUMJPIYZXEWET-SFHVURJKSA-N 365.499 2.392 0 40 FEAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)C2=CC=NC(=O)C2)C3)cc1 2056224642 NKMPAXCPOFZARU-HNNXBMFYSA-N 371.462 2.121 0 40 FEAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(F)cc1 11666351 UDXSJNBWPBFOSX-UHFFFAOYSA-N 363.352 2.336 0 40 FEAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccco1 36708354 WJTIZTDUTBYGHU-RIYZIHGNSA-N 360.435 2.081 0 40 FEAB Cc1ccccc1-n1ccn(Cc2nc(-c3ccccc3)no2)c(=O)c1=O 49407737 LHFDUSOTVUUYFM-UHFFFAOYSA-N 360.373 2.406 0 40 FEAB COc1nc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)ncc1Br 2298045048 NZPDSKAURSWFKK-JTQLQIEISA-N 371.279 2.379 0 40 FEAB O=C(COc1ccccc1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40072464 NWBKMDYHWDMAAV-UHFFFAOYSA-N 361.361 2.126 0 40 FEAB COc1cc(C(=O)O[C@H]2CCOC2=O)ccc1OCc1c(C)noc1C 3418489 FSTVEWKEDSLUDQ-HNNXBMFYSA-N 361.350 2.351 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nnc(-c2ccccc2)o1 4493020 XGYQODJHMMVTQF-UHFFFAOYSA-N 362.345 2.259 0 40 FEAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1OC 101269972 AYPJNWFGYRSSJS-PBHICJAKSA-N 370.336 2.135 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)nsc2N)cc1 7547953 PZOXUNBFBIMTGE-SECBINFHSA-N 362.411 2.176 0 40 FEAB CCCN1C(=O)[C@H]2[C@@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@@H]2C1=O 101129260 YULTWXOVXVYXQZ-OTWHNJEPSA-N 365.433 2.217 0 40 FEAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 20745121 PAJNGKBTDUWMJS-SNVBAGLBSA-N 364.203 2.125 0 40 FEAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102592993 YTBGQGXXTYULJY-UJWMZTGESA-N 366.417 2.077 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2nccn2C)CC1 100750174 XXJVTMAPYKBRIR-SOLBZPMBSA-N 369.469 2.229 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 46214076 DDQVMVAHINQIDO-ZBFHGGJFSA-N 351.516 2.362 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)NCc3ccccc3)c(=O)c2cc1OC 17029029 KGOUPEHRNZQCAY-UHFFFAOYSA-N 354.362 2.181 0 40 FEAB biogenic C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 32795876 PYXXLYOADZOXGV-NEPJUHHUSA-N 367.243 2.049 0 40 FEAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 9450913 JQCRVYWOBDOWTH-SFHVURJKSA-N 366.465 2.339 0 40 FEAB O=C(CN1CCCc2cc(C(F)(F)F)ccc21)N[C@H]1CCCCNC1=O 52584299 WLMISMBKRPHAQT-AWEZNQCLSA-N 369.387 2.243 0 40 FEAB COc1ncccc1CNC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O 53445921 SJSAJHYLUBLGTK-KRWDZBQOSA-N 353.422 2.376 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H](O)C1)c1ccc(Oc2ccccc2)cc1 22737817 DOUSCRKZOUXDTQ-MRXNPFEDSA-N 354.406 2.192 0 40 FEAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1 42476633 YXODKSMLCQRUJI-QGZVFWFLSA-N 357.410 2.269 0 40 FEAB c1ccc2c(c1)ncn2CN1CCN(Cc2nnc3n2CCCCC3)CC1 23258856 KGFUOQACYAIMRW-UHFFFAOYSA-N 365.485 2.130 0 40 FEAB Cn1c(CN2C(=O)N[C@]3(CCSC3)C2=O)nc2cc(Cl)ccc21 47350110 XAWPVNICUWXHQP-HNNXBMFYSA-N 350.831 2.154 0 40 FEAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1n[nH]c2ccccc12 58161407 SZPQDCAYPGRBKA-UHFFFAOYSA-N 374.397 2.494 0 40 FEAB CCc1nc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)sc1C 47424812 SCKCZSXCUSEUQK-UHFFFAOYSA-N 363.439 2.400 0 40 FEAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 47667617 SABHMYMPMCEPKW-AWEZNQCLSA-N 359.376 2.367 0 40 FEAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 12521244 AXORMKIMGWHRCM-UHFFFAOYSA-N 374.871 2.439 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)OCCCOc2ccc(F)cc2)c1 24782273 MQILNHKRQHGHOY-UHFFFAOYSA-N 371.361 2.238 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1ccccc1 12599283 GUKJVLQQLMKSQQ-GXTWGEPZSA-N 360.435 2.287 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccsc1 25329721 JVIVDITXIXIKMI-MRXNPFEDSA-N 366.508 2.325 0 40 FEAB NC(=O)c1ccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 56250476 NYAAQETYMKTSGJ-UHFFFAOYSA-N 356.397 2.403 0 40 FEAB CS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 108795470 UUNDAIZJBNWHPD-CQSZACIVSA-N 363.838 2.204 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc12 2087359 AAAPEXAGBQZUNL-UHFFFAOYSA-N 361.394 2.495 0 40 FEAB biogenic O=C(COc1ccc(Cl)c2ccccc12)NC[C@H]1CCS(=O)(=O)C1 44720238 CPIOCOITLNURHP-GFCCVEGCSA-N 367.854 2.423 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)c1 3345552 MBHODGIIZLMLTQ-OAHLLOKOSA-N 355.438 2.443 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1cccs1 12895300 SKDDAKOATDDCGC-UHFFFAOYSA-N 352.481 2.046 0 40 FEAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13327849 AAZIEAIDPNXESF-HNNXBMFYSA-N 371.264 2.386 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)nc2n1 7987650 IGHVIRCKPHQINS-UHFFFAOYSA-N 373.800 2.498 0 40 FEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2[nH]1 6173446 MDHGRLQRUCJZPE-LBPRGKRZSA-N 372.450 2.304 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 4308898 UNYPAELSCJNCTH-JLTOFOAXSA-N 355.438 2.072 0 40 FEAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 13849602 KDIIRMZJSZYCRM-UHFFFAOYSA-N 369.240 2.278 0 40 FEAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(N)=O)cc1 14197529 IWYSBBUHDSWSHY-UHFFFAOYSA-N 368.437 2.205 0 40 FEAB Cc1cc(C)c(C(N)=O)c(NC[C@H](c2cccs2)N2CCOCC2)n1 14112808 ABDARHHOEAYRJB-CQSZACIVSA-N 360.483 2.344 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)cc1 5555407 QZLXRABRCBJFHB-UHFFFAOYSA-N 361.419 2.335 0 40 FEAB CCCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1 4731560 FJTBQSKKCBDWIU-UHFFFAOYSA-N 353.469 2.434 0 40 FEAB CS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4816438 LDPSOWZDMYMXHK-UHFFFAOYSA-N 363.830 2.413 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4834980 AIMOBCRJRGDBLQ-OAHLLOKOSA-N 368.499 2.273 0 40 FEAB Cc1c(C(=O)N[C@@H](C)c2ccccn2)nnn1-c1ccc2c(c1)OCCO2 67134500 PVZCCEFONWVTMC-LBPRGKRZSA-N 365.393 2.233 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1nc2ccccc2o1 69951141 PRUNWYGWNVPAAI-UHFFFAOYSA-N 373.390 2.034 0 40 FEAB O=C(CNc1cnn(-c2ccccc2)c(=O)c1Cl)NCc1ccco1 9114183 PSOYGXDPVIZCHW-UHFFFAOYSA-N 358.785 2.207 0 40 FEAB C[S@](=O)C[C@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 72298099 FPKNAZOPURDENK-UPCLLVRISA-N 350.484 2.015 0 40 FEAB COC(=O)[C@@H](Cc1ccc(F)cc1)Nc1ccc(NS(C)(=O)=O)cc1 97103813 GPNVLHHHWBGIJF-MRXNPFEDSA-N 366.414 2.393 0 40 FEAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1 97356955 NYDXZQCVJIZBRI-UHFFFAOYSA-N 355.446 2.060 0 40 FEAB CC(C)[C@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2C[C@H]1C 95948021 QDEHBUDTBRUUFS-WBMJQRKESA-N 354.410 2.218 0 40 FEAB Cc1ccc(C[C@H](CNC(=O)c2ccc(-n3cncn3)cc2)C(=O)O)cc1 95970689 VSEPVZYLUCTTFB-QGZVFWFLSA-N 364.405 2.249 0 40 FEAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cc1 36089861 HPFJEEZHHKEDPX-KRWDZBQOSA-N 359.495 2.475 0 40 FEAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)C2 225521894 TVMKVINHCUYGFQ-OCCSQVGLSA-N 372.856 2.398 0 40 FEAB CNS(=O)(=O)CCc1ccc2c(c1)c(C1CCN(C)CC1)cn2N=O 44135878 PJYPKUNIMYGSTA-UHFFFAOYSA-N 364.471 2.072 0 40 FEAB in-vitro CC1CCC(N(C(=O)CN2CCC[C@H](S(C)(=O)=O)CC2)C2CC2)CC1 328655859 NESHQNZZQXSFMY-HTWSVDAQSA-N 370.559 2.455 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(N)=O)c2)cc1 224347968 TZNHZLDFNLLLHU-UHFFFAOYSA-N 354.815 2.273 0 40 FEAB COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(F)cc1 224912731 MFLPCNAWDHOHRW-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB COc1ccccc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O 223820562 YKJWXIBDINHNNI-UHFFFAOYSA-N 352.456 2.078 0 40 FEAB Cc1ccc2c(c1)C1(CCN(C(N)=O)CC1)CN2C(=O)c1cccnc1 96161012 BHPFVMWWQFXQMH-UHFFFAOYSA-N 350.422 2.463 0 40 FEAB O=C(O)c1ccc(CN2C[C@H](OCc3nc4cnccc4[nH]3)[C@H](F)C2)cc1 96112116 BKEPAJRRMBMRJN-PBHICJAKSA-N 370.384 2.395 0 40 FEAB biogenic,in-vitro CCCCOc1ccc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257242807 IEFFCKDRUUCBQX-ICSRJNTNSA-N 362.470 2.420 0 40 FEAB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 257199005 ORJWKYZXZHZGBX-CADBVGFASA-N 374.533 2.202 0 40 FEAB CCCS(=O)(=O)N1CCN(C=O)C[C@H]1c1ccc(OC(C)C)cc1 257320936 VZJAYPYKCJXVJJ-KRWDZBQOSA-N 354.472 2.029 0 40 FEAB Nc1cnc(C[C@H]2CCCN(S(=O)(=O)c3cccs3)CC2)cn1 257241437 HYANRZZGIOILFM-LBPRGKRZSA-N 352.485 2.154 0 40 FEAB O=c1/c(=C/Nc2nc(-c3ccc(Cl)cc3)cs2)sc2ncnn12 256055312 BKGKBJWHEWHBDO-WZUFQYTHSA-N 361.839 2.497 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCCC3)cc2)[C@H]1O 257294269 QTIHVZZWHRRSPB-VAMGGRTRSA-N 368.481 2.282 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3ccc4oc(=O)n(C)c4c3)CCO2)ccn1 257209226 BPMNNQKDHJUFBN-QGZVFWFLSA-N 353.378 2.049 0 40 FEAB Cc1nn(C)c(C)c1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 257274762 NMMVYHANXAUBII-MRXNPFEDSA-N 351.458 2.392 0 40 FEAB C[C@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CC[C@H]1C(=O)O 626756755 WAXQXEGNZPSFEL-DOTOQJQBSA-N 370.453 2.378 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2Cl)C1 1119524334 KWBDHKXEBYGENL-MLGOLLRUSA-N 370.840 2.305 0 40 FEAB Cc1ccc(Cl)c(OCC(=O)N2CCC(n3cnnc3O)CC2)c1 655041459 MRHITGDIRGKKJV-UHFFFAOYSA-N 350.806 2.188 0 40 FEAB CCN(CC)Cc1cccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)c1 663600739 QCVYILAEMZVVPN-INIZCTEOSA-N 355.429 2.440 0 40 FEAB Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)c1 669253368 YCMCFDINACCYDV-ZIAGYGMSSA-N 352.442 2.334 0 40 FEAB CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2nnc(C3CCC3)n2C)C1 1775957398 SFWFAFZWVDCAFT-DOTOQJQBSA-N 357.458 2.146 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575403790 OFCSWNACNBBBLY-HNNXBMFYSA-N 371.437 2.470 0 40 FEAB O=C(NCc1ccccc1N1CCOCC1)N1CCc2ccc(O)cc2C1 62561212 IWXPIMHAPWEKDO-UHFFFAOYSA-N 367.449 2.497 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)c2nccnc21 12365140 BWDAGQOIEXROJZ-ZDUSSCGKSA-N 369.400 2.287 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 12565662 XUIWVCFZTBMYSG-XXHMAFKTSA-N 369.465 2.161 0 40 FEAB Cc1nc(C(=O)N2CCN(Cc3ccncc3)CC2)cc(C(F)(F)F)n1 1888844375 NPUIXQUPKUJRFX-UHFFFAOYSA-N 365.359 2.157 0 40 FEAB COc1ccc2c(C)cc(N3CCO[C@@H](C(=O)N4CCCC4)C3)nc2c1 1889139418 OVOGCZNXCVJYGC-GOSISDBHSA-N 355.438 2.379 0 40 FEAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cc(C3CC3)on1)C2 1146921864 QRRXXAUAAJYFBL-UHFFFAOYSA-N 358.446 2.030 0 40 FEAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@@H]3C2)cs1 1565542577 PDGNFFFBYVXLMH-KBPBESRZSA-N 360.458 2.119 0 40 FEAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CCCC1 12440178 MKSHBUOOUUVOTB-UHFFFAOYSA-N 351.410 2.031 0 40 FEAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCC(O)CC2)c1 22609792 XDLWNWHVBZWWNZ-CQSZACIVSA-N 360.439 2.051 0 40 FEAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(F)cc1 100160085 JDJYNLNTKHNGIU-UJARPBSLSA-N 354.381 2.207 0 40 FEAB O=C(CN1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1)c1ccco1 36708285 BRRCHZTVMFVKHJ-UHFFFAOYSA-N 370.434 2.372 0 40 FEAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1sc2ccccc2c1Cl 955991 HDYGFENINIRPHY-JTQLQIEISA-N 366.826 2.058 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N2CCCc3c(F)cc(F)cc32)CC1 40090405 KCDVGWRHKMGGKD-UHFFFAOYSA-N 372.437 2.306 0 40 FEAB COc1cc([C@H]2C3=C(COC3=O)Nc3c2c(C)nn3C)cc(OC)c1OC 20086618 ZQFYMZBYKWLZOJ-OAHLLOKOSA-N 371.393 2.123 0 40 FEAB O=C(NC1CCN(C(=O)C2=Cc3ccccc3OC2)CC1)c1ccncc1 40135063 PBMDNNXDDIILGQ-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB COCCNC(=O)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10943128 JVGMLYMAQJSWRM-UHFFFAOYSA-N 360.439 2.072 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)NCCc1c[nH]c2ccccc12 7737422 KQGJBKWALJEJPC-UHFFFAOYSA-N 352.419 2.298 0 40 FEAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1 4093251 RKOLUXDOLGUJQM-UHFFFAOYSA-N 361.467 2.019 0 40 FEAB CC[C@H](C)N(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1 4965203 DAMRPPBALIVYQB-NSHDSACASA-N 350.419 2.234 0 40 FEAB COC(=O)c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 7062810 HCCAKQCXMKPFKY-UHFFFAOYSA-N 367.357 2.455 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1cccnc1)c1ccc(F)cc1 7504921 OCKLWLLIYKJNHV-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB O=C(COc1ccc(Br)cc1F)NCC(=O)N1CCCCC1 45849973 FFINIJFVJIDPFK-UHFFFAOYSA-N 373.222 2.096 0 40 FEAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc5nnnn5c4)nn23)c1 20717996 KHDSAJRWCPONSQ-UHFFFAOYSA-N 356.321 2.236 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(F)cc1Cl 8208089 SSDQJTLQGIKPNK-CYBMUJFWSA-N 359.781 2.340 0 40 FEAB CCn1ncc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1C 100120961 UCKIZMZRTDKXDP-VQIMIIECSA-N 368.485 2.100 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2[nH]c3ccccc3c2C1 11981226 VWZMEHFIHBGYJH-UHFFFAOYSA-N 369.446 2.322 0 40 FEAB O=c1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)[nH]c2ccnn12 104101168 YGWKAYMYJZLWIE-QGZVFWFLSA-N 356.401 2.343 0 40 FEAB O[C@H]1C[C@](CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@H]1O 107430339 QMFHRRPHNIWWGO-REPLKXPHSA-N 362.857 2.406 0 40 FEAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941349 ZWTZVKJNSUHECV-WDEREUQCSA-N 362.879 2.418 0 40 FEAB O=C1CN(NC(=O)CCN2c3ccccc3Sc3ccccc32)C(=O)N1 25612681 KCGKSLFZQUUEQP-UHFFFAOYSA-N 368.418 2.262 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1C 10026580 LOWVXAOFQHGXOO-UHFFFAOYSA-N 373.361 2.229 0 40 FEAB O=C(NC[C@H]1CCOC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48183130 ZRPICOBRKFFHKL-ZIAGYGMSSA-N 370.371 2.207 0 40 FEAB CCOCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2110833 BSIROPLMUGMXLQ-UHFFFAOYSA-N 359.426 2.322 0 40 FEAB biogenic CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2103190 OHLPCNJMPWHYJG-CQSZACIVSA-N 361.394 2.330 0 40 FEAB biogenic COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(C(=O)N(C)C)c1 58218852 FPGFDJJIFINPQF-IBGZPJMESA-N 352.434 2.488 0 40 FEAB COc1ccccc1N1CC[C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 58209168 GDUSRYDAHBWNFF-YWZLYKJASA-N 368.433 2.478 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)s1 12789237 YLALUCGGUXVSKL-UHFFFAOYSA-N 350.465 2.203 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1 306144225 YZRCAPYOHTYCBM-INIZCTEOSA-N 366.473 2.195 0 40 FEAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccccc1-n1cnnn1 12868756 LLLXKXBUJWXBNA-UHFFFAOYSA-N 358.741 2.401 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(c2nccs2)CC1 12894763 FROPYFFOXVQBJJ-UONOGXRCSA-N 360.483 2.346 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 3484692 YUNUQYVZFDDEOY-GOSISDBHSA-N 363.417 2.277 0 40 FEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 12996127 DZBMWUMZVMJGGV-NSHDSACASA-N 374.418 2.176 0 40 FEAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3600529 YRRYIHBFFTUPJJ-QGZVFWFLSA-N 351.834 2.412 0 40 FEAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccc(F)c3)CC2)C1 306143676 YIQGQIQKULEPAB-UHFFFAOYSA-N 373.432 2.299 0 40 FEAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 64347484 JFJKMQYANFRWRM-UHFFFAOYSA-N 360.439 2.388 0 40 FEAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cc1 306127683 GETASFKCPCGMSS-IAGOWNOFSA-N 365.481 2.037 0 40 FEAB CCN(CC(=O)Nc1ccc(Cl)cn1)Cc1nc2ccccc2c(=O)[nH]1 39990569 XMRVXDNIOWBCKJ-UHFFFAOYSA-N 371.828 2.432 0 40 FEAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(N2CCOCC2)ccn1 14096000 JOKPFDSFIFUPID-UHFFFAOYSA-N 366.421 2.297 0 40 FEAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 14137197 AWFURJCCDSLHKU-UHFFFAOYSA-N 363.439 2.088 0 40 FEAB CCN1CCN(c2cnn(Cc3ccc(F)cc3)c(=O)c2Cl)CC1 6662847 JJRBTRZCDOXHFH-UHFFFAOYSA-N 350.825 2.226 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 17328059 PEUZZCRBKPZJMP-IHRRRGAJSA-N 354.472 2.013 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NC(C)C)c2c1 17300680 MMAQXKDWXVNZBT-UHFFFAOYSA-N 365.455 2.109 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc(N2CCCC2=O)c1 6987963 QSFLAUCHUWNXQA-UHFFFAOYSA-N 351.406 2.111 0 40 FEAB CCCN(CCC)C(=O)Cn1ccn(-c2ccccc2OCC)c(=O)c1=O 67256573 HSHAHLSIKKLMQD-UHFFFAOYSA-N 373.453 2.047 0 40 FEAB C[C@@H]1CN(Cc2cccc(CNC(=O)NCc3cccnc3)c2)CCO1 67588590 OFMBXTIICKMPKD-MRXNPFEDSA-N 354.454 2.302 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)n(C)c1 8704770 BBSZNTLVWYNJKW-UHFFFAOYSA-N 365.455 2.317 0 40 FEAB COCCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8745613 USQHJLIRWFDZOR-UHFFFAOYSA-N 367.496 2.108 0 40 FEAB COCCn1nc(C)c(CNC(=O)[C@H]2CSc3ccccc3O2)c1C 84013905 KCBMIAXILZEYHM-MRXNPFEDSA-N 361.467 2.316 0 40 FEAB CCCCOC(=O)[C@@H](C)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 72303218 GGLFCOBJELVDMK-CQSZACIVSA-N 359.426 2.013 0 40 FEAB COCCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 409250232 QCBWTVFDLIFQAR-ACCUITESSA-N 352.412 2.189 0 40 FEAB COc1cccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)c1OC 655259001 SFBATVWUIWVYRG-UHFFFAOYSA-N 357.410 2.486 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)n1 408618482 CVVUOXLMXNOZHR-UHFFFAOYSA-N 373.269 2.763 0 40 FEAB CCOC(=O)c1cn(CC(=O)OC)c2ccc(Br)cc2c1=O 78400835 OFTLGQWBTSSHIA-UHFFFAOYSA-N 368.183 2.114 0 40 FEAB COCC(=O)N1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342937 VBYUNCJSMPTIJV-CQSZACIVSA-N 369.425 2.354 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)NCc2cccc3ccccc23)s1 222897476 IGCMIGSLXWPGHB-UHFFFAOYSA-N 362.436 2.128 0 40 FEAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccc2c(c1)OCO2 225752304 OKOUUISXYMUVBB-UHFFFAOYSA-N 354.337 2.186 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2C)cc1OC 224792266 WCCBOQJMPSMEEP-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CC1(CN)CC1 570443832 FKEZZVACQMAONC-ZDUSSCGKSA-N 374.407 2.091 0 40 FEAB CN([C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O 223677025 INEXLEXWYYXNNA-MRXNPFEDSA-N 350.415 2.075 0 40 FEAB Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1C 224358213 GSKVNQOBLKWHAY-UHFFFAOYSA-N 355.442 2.248 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1csc2ccccc12 225698117 XGYXCJDNJYPRNX-AWEZNQCLSA-N 360.460 2.429 0 40 FEAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)NCc1ccccc1)CC2 96217773 RVYAOABWYUPBAR-HXUWFJFHSA-N 359.470 2.390 0 40 FEAB CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)NCCOC)N=C1O 95471907 LLQSPYCCGRKQPL-LLVKDONJSA-N 357.476 2.168 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc12 96079112 UOPUINCPOLQYPO-QZTJIDSGSA-N 371.481 2.442 0 40 FEAB CC(C)NC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143022 BICZXUHQWIQBPF-GOSISDBHSA-N 363.483 2.120 0 40 FEAB O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccc(F)cc1)C2 96059578 YPLSNLDHTJSEHG-UHFFFAOYSA-N 356.445 2.384 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)nc(O)c2C1 248095307 XKWJJBLKOGPMKN-CABCVRRESA-N 356.470 2.232 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2cccc(F)c2)Cc2cncn21 247525379 ZDGZFWNHBKICND-IBGZPJMESA-N 365.412 2.291 0 40 FEAB CC(C)[C@H]1COC(=O)N1c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 257229629 FYVDZKGUCBQIHY-OAHLLOKOSA-N 367.471 2.202 0 40 FEAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cn1cnnn1 618238440 YPAGZCAIDJKWBV-OAHLLOKOSA-N 369.347 2.196 0 40 FEAB COc1cnccc1N1CCN(C(=O)C2CCC(C(C)(C)O)CC2)CC1 651961498 BBWUPXJTFWADME-UHFFFAOYSA-N 361.486 2.316 0 40 FEAB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 667191293 MTJDRLLTPOHRLQ-LBPRGKRZSA-N 371.478 2.471 0 40 FEAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3csc(C)n3)CS2)C1 575403841 OXQUGQPHYBKIAY-ZDUSSCGKSA-N 362.542 2.268 0 40 FEAB O=S1(=O)C[C@@H](O)[C@H](N(C(=S)Nc2ccccc2)c2ccccc2)C1 575420051 DUWRTSHIPZYDDM-HZPDHXFCSA-N 362.476 2.048 0 40 FEAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(Oc2ccccc2)cc1 585294796 KIDMANQTYVCZMO-MHTWAQMVSA-N 357.450 2.402 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cn1 825658334 HQRPXWRXTWQUPL-GFCCVEGCSA-N 369.493 2.222 0 40 FEAB Cc1nnc(CN(C)C(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)o1 1146577302 BLKKPAYQSHEWHF-UHFFFAOYSA-N 356.398 2.076 0 40 FEAB Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5598875 TXYTWTQKFAGQTG-UHFFFAOYSA-N 369.406 2.112 0 40 FEAB CCc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2cc3oc(C)cc3n12 12115533 FNEILZSDSFMUFL-GFCCVEGCSA-N 356.426 2.372 0 40 FEAB CN(C)c1ncc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)cn1 12199288 VTPYQXNOHJTNHR-QGZVFWFLSA-N 357.433 2.249 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1 12938826 VLNNJBQJCMPOEV-CYBMUJFWSA-N 352.442 2.476 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526765 CZIQQKVBXUCIGS-KYFSNAEOSA-N 372.465 2.397 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cn2ccccc2n1 19657621 QIEFOOUOAXWIIB-UHFFFAOYSA-N 350.378 2.059 0 40 FEAB COC[C@@H](C)NC(=O)CN1CCc2nc(-c3ccccc3F)sc2C1 19719889 HLBCAXZNRWYWDY-GFCCVEGCSA-N 363.458 2.458 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC3)nc(N)c21 19974102 ODAVMEZQEYEPFC-LBPRGKRZSA-N 366.425 2.032 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1 208909448 OBRBPZHTFGSYPG-GJZGRUSLSA-N 350.415 2.283 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1Cc1ccccc1 9167059 VCQAUXOAUNAIPL-UHFFFAOYSA-N 368.466 2.478 0 40 FEAB Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O 5392446 HOSLYSFSXULKJH-UHFFFAOYSA-N 366.396 2.035 0 40 FEAB O=C(C1CCN(c2ncnc3ncccc23)CC1)N1CCC(F)(F)CC1 1888856795 HDYQBYWNWSTSAL-UHFFFAOYSA-N 361.396 2.499 0 40 FEAB CC(C)c1ncnc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)c1F 1888859331 NDRLOHLBQNMFHA-UHFFFAOYSA-N 358.421 2.439 0 40 FEAB Cc1nnc(N2CC(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)C2)s1 1888890123 TXCDUXFAWRWOSR-UHFFFAOYSA-N 372.429 2.005 0 40 FEAB O=C(c1ccc2ncsc2c1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888890327 ZCIQWYPWMSYYRU-ZIAGYGMSSA-N 351.435 2.295 0 40 FEAB COc1cccc2sc(N3CCC(NS(=O)(=O)C4CC4)CC3)nc12 1888890455 TYSYVRLJTZEWQZ-UHFFFAOYSA-N 367.496 2.356 0 40 FEAB O=S(=O)(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 26871318 BEVZNTYHNDOZDN-VXGBXAGGSA-N 362.904 2.410 0 40 FEAB Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c(-n3cnnn3)c2)n1 33082143 JIHSDZHKDHFYTB-UHFFFAOYSA-N 355.427 2.108 0 40 FEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H](CF)C1 881591330 MSWWVVLTGSYVJT-CQSZACIVSA-N 354.447 2.293 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(c3nccs3)C(=O)C2)cc1Cl 1565523246 IUKWULCQDAMYSP-UHFFFAOYSA-N 371.871 2.142 0 40 FEAB CCc1ccc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)cn1 1565554152 KZWHKDUWTOZOAT-PBHICJAKSA-N 370.478 2.140 0 40 FEAB COc1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1OC 4851135 CPPJZMAMKPETDD-UHFFFAOYSA-N 356.378 2.007 0 40 FEAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc(OC)cc(OC)c1 10256029 KTZIKLXFCCWNMI-SFHVURJKSA-N 354.406 2.411 0 40 FEAB NS(=O)(=O)c1ccc(-n2c(S)nnc2-c2cccc(F)c2F)cc1 12324651 IUUVSXWWZFARBC-UHFFFAOYSA-N 368.390 2.149 0 40 FEAB CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)Cn1ccccc1=O)C2 2055718348 DNZJALYQJDGBLM-UHFFFAOYSA-N 365.437 2.018 0 40 FEAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1 38671338 DPJFDKDNATXBOQ-UHFFFAOYSA-N 372.410 2.093 0 40 FEAB O=C1NCCN1C(=O)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575616090 WDVRABFJVKTZIT-UHFFFAOYSA-N 368.441 2.335 0 40 FEAB CN(C)CCCN[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 56964163 BIRUITNWPJGDDI-CYBMUJFWSA-N 362.257 2.317 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 30343559 NBSGJWHXTPWECL-IBGZPJMESA-N 373.384 2.234 0 40 FEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)NC)c2C)C1 40134100 FJRKPZCWIZXWDL-OAHLLOKOSA-N 374.485 2.467 0 40 FEAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1ccc(Br)cc1 1514775 AYXGHSZQYVNXRC-ZDUSSCGKSA-N 369.190 2.269 0 40 FEAB O=C1CC[C@H](C(=O)/N=c2/sccn2Cc2cccc3ccccc23)N1 100868906 GZTWJTSSKYEZFU-QQMHEVNUSA-N 351.431 2.457 0 40 FEAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(F)c1 4855218 FZBGICWVQMUPIS-UHFFFAOYSA-N 357.414 2.453 0 40 FEAB COCCN(Cc1cc2cccc(C)c2n2nnnc12)C(=O)C(F)(F)F 4898755 DRNNLECBRZEUJT-UHFFFAOYSA-N 367.331 2.123 0 40 FEAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4ccc(F)cc4)n3)c2n1 32102350 FOKXQKMUDDPKLJ-UHFFFAOYSA-N 366.356 2.465 0 40 FEAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2CCc2cccs2)on1 29036336 LZZIENVARWVOCY-JTQLQIEISA-N 364.456 2.393 0 40 FEAB Cc1sc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N(C)C 6679590 GLMJRNDTIZXABW-UHFFFAOYSA-N 352.481 2.279 0 40 FEAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(F)cc3)n2)cc1 20869400 JNYKUSMHXGZOMW-UHFFFAOYSA-N 370.384 2.227 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2)cc1Cl 102015266 JGRCKUHDLGBJIH-AJNGGQMLSA-N 357.797 2.252 0 40 FEAB Cn1c(S)nc2cc(C(=O)NCCCOc3ccccc3)ccc2c1=O 102190084 KQHMVIVGZQDIEH-UHFFFAOYSA-N 369.446 2.421 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2622095 HBEPZSVFWDPFTH-OAQYLSRUSA-N 363.417 2.433 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)C[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 102613362 WJXZXBZHONCJPI-KSVNGYGVSA-N 366.502 2.162 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 2640937 YRWAIVXMOQMSNB-ZIAGYGMSSA-N 368.355 2.497 0 40 FEAB Cc1oncc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108535471 RTGTWIPKLMJGCS-UHFFFAOYSA-N 354.410 2.033 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1 33019026 WHZSGNPQCBEXMU-QWHCGFSZSA-N 350.415 2.370 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCc2ccccc21 58173624 HNNGBOGTMMQTFP-UHFFFAOYSA-N 374.444 2.089 0 40 FEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1ccc2c(c1)OCCO2 22544626 BGFIOOSWCJFLCQ-GFCCVEGCSA-N 362.411 2.158 0 40 FEAB Cc1ccc(-n2nnnc2N2CCCN(C(=O)c3ccsc3)CC2)cc1 54124911 JACAXNWDAQPVPY-UHFFFAOYSA-N 368.466 2.385 0 40 FEAB CCOC(=O)c1sc2ncn([C@@H](CC)C(=O)OCC)c(=O)c2c1C 921187 YIDWFHNRROPRHK-JTQLQIEISA-N 352.412 2.457 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(CCOc2ccc(F)cc2)CC1 23717995 QATQXDGKVIMQCM-UHFFFAOYSA-N 364.442 2.211 0 40 FEAB COc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1 23818497 NCMWRKANTBGDDI-UHFFFAOYSA-N 351.410 2.462 0 40 FEAB Cc1ccc(-c2nnn(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1 1223104 DKHKQMLBXBEHLI-UHFFFAOYSA-N 360.421 2.489 0 40 FEAB CCn1c(=O)n(CC(=O)NC[C@H](c2ccsc2)N(C)C)c2ccccc21 25331583 UOPYRAICBLZDJM-QGZVFWFLSA-N 372.494 2.304 0 40 FEAB COC(=O)c1cccc2c3c([nH]c12)CCN(c1ncnc2c1cnn2C)C3 25577965 WVUXCHUREZUQLK-UHFFFAOYSA-N 362.393 2.194 0 40 FEAB CC1CCN(S(=O)(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 56114066 PUFLHBFPFXMGLH-UHFFFAOYSA-N 369.506 2.356 0 40 FEAB O=C(NCCOc1ccc(F)cc1)N1CCN(Cc2cscn2)CC1 56662765 MQSZTPCVNXJDTJ-UHFFFAOYSA-N 364.446 2.188 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12558652 UUZFZMQKEXJTOV-KWBADKCTSA-N 366.723 2.124 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 58186163 YPDPRRDIGFIRQC-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB CN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 3178782 UNNSFYHJUJHHKT-UHFFFAOYSA-N 373.950 2.423 0 40 FEAB CCOC(=O)c1ccc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)nc1 47865160 JRWUQRSLYRNXLF-UHFFFAOYSA-N 373.457 2.261 0 40 FEAB Cc1csc([C@](O)(CC(=O)NCc2ccnc(C)n2)C(F)(F)F)n1 58332593 ROVMBFWKDDYKJH-CYBMUJFWSA-N 360.361 2.006 0 40 FEAB COC1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 58306903 SWQOKYOYBAQLCK-UHFFFAOYSA-N 363.527 2.285 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccn(-c2ccccc2)n1 58356903 UJZZBSRBVYCATJ-UHFFFAOYSA-N 361.357 2.325 0 40 FEAB C[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(C)(=O)=O 58413589 UOKZMLKRSKANKR-CYBMUJFWSA-N 357.435 2.075 0 40 FEAB O=C(COC(=O)COc1ccc(Br)cc1)NC1CCCC1 3260007 ALCWSODCXVGQLC-UHFFFAOYSA-N 356.216 2.430 0 40 FEAB CCN(CC)c1ccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cn1 48177138 ICRWJBJLNVZRBG-UHFFFAOYSA-N 359.474 2.450 0 40 FEAB CON(C)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 3486755 SYBPNYTVCQZKEV-UHFFFAOYSA-N 360.435 2.067 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496701 KCBIYIJZLAWFDW-UHFFFAOYSA-N 359.382 2.284 0 40 FEAB Cc1noc(C)c1C(=O)NCC(=O)Nc1ccccc1Br 8390619 QSOVBULUABOFBQ-UHFFFAOYSA-N 352.188 2.422 0 40 FEAB COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1S(=O)(=O)NC1CCCC1 8316109 GAOCKQNTZPAFKN-LBPRGKRZSA-N 366.483 2.444 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccco1 12982429 UDXWESCRTPZAST-VOJFVSQTSA-N 359.357 2.063 0 40 FEAB CSCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8379506 CCSJENAYDUZAKA-UHFFFAOYSA-N 364.492 2.036 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408586098 AFEMXXZSFSBRGG-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB Cn1nc(C(=O)Nc2ccnn2Cc2ccccc2)c2ccccc2c1=O 5256240 NYKJKVKQEFBBPP-UHFFFAOYSA-N 359.389 2.431 0 40 FEAB CCOCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 14157658 KRFOSKGNIGKVOT-UHFFFAOYSA-N 361.467 2.366 0 40 FEAB O=c1n(Cc2nc(-c3cccc(Cl)c3)no2)nnn1-c1ccccc1 14120025 SBFAPTQSVRDHOL-UHFFFAOYSA-N 354.757 2.181 0 40 FEAB Cn1nc2c(c1NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)CCC2 65855909 NIGUOFNARDHUBR-UHFFFAOYSA-N 373.478 2.200 0 40 FEAB COc1ccccc1NS(=O)(=O)NC(=O)c1cn(C)c2ccccc12 6672288 MMEXDNGWZNHYJF-UHFFFAOYSA-N 359.407 2.274 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccnc2)nc2ccccc12 17636271 CWIJZOSCCMGUMG-AWEZNQCLSA-N 367.430 2.214 0 40 FEAB CC[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6764326 RJWPBNIEFVGNLT-MRVPVSSYSA-N 354.428 2.151 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408605101 MOJJMQUKAPIXJQ-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12 16045341 WNEYDXXMXXMJOU-CYBMUJFWSA-N 350.374 2.440 0 40 FEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 7779216 WHDAZDQGNHFVDL-CYBMUJFWSA-N 366.377 2.489 0 40 FEAB CC(=O)NCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 9483945 WUCOTEOYRHRSAW-UHFFFAOYSA-N 374.441 2.460 0 40 FEAB COC(=O)C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1cccs1 83884639 QOESTJHEIPMSHG-AWEZNQCLSA-N 370.430 2.484 0 40 FEAB CN(C)CCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 9850337 HRPCJMXJVADTPW-UHFFFAOYSA-N 355.438 2.046 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCOc4ccccc4C3)ccc2N1 79283614 ZWHXICUTMLJOSB-UHFFFAOYSA-N 358.419 2.155 0 40 FEAB O=C(NCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1c[nH]c2ccccc12 84587922 DUZDHGITBAWCSX-ZWKOTPCHSA-N 355.438 2.458 0 40 FEAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@H]1CCS(=O)(=O)C1 72712705 YHFRKTQLZVHCFT-HNNXBMFYSA-N 367.902 2.478 0 40 FEAB CN1CCN([C@@H]2CCCCN(CC(=O)N(C3CCCC3)C3CC3)C2)CC1 95405706 WRWJJKZWBICWJV-HXUWFJFHSA-N 362.562 2.022 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N2CCCCCC2)S(=O)(=O)N(C)C)c1 216152427 PEYDCFHJKJKACG-UHFFFAOYSA-N 367.515 2.319 0 40 FEAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC)C1 72389011 ABYRHBXTZNBMHK-NRFANRHFSA-N 367.449 2.045 0 40 FEAB COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1C 6418385 GVOQVVHVIGRDCP-MRXNPFEDSA-N 361.394 2.186 0 40 FEAB biogenic C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccncc1)C2=O 36661924 GFRCRSKQZPURHM-NBQZKYEYSA-N 370.453 2.246 0 40 FEAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218586673 CPCIUZYFGZHWEX-RVKKMQEKSA-N 368.499 2.118 0 40 FEAB CCn1c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)nc2cccnc21 562229588 VHAVGDAHOQZDKP-UHFFFAOYSA-N 350.382 2.447 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2snnc2-c2cccs2)CC1 225790035 PVQVFIPEGMDCNY-UHFFFAOYSA-N 352.441 2.181 0 40 FEAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947902 WILXQKKHEHUQRE-BEFAXECRSA-N 372.446 2.238 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223418439 WLXVZLZKYYVEFF-HUUCEWRRSA-N 368.380 2.074 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)s1 223255585 FBBXUQXMPXAISD-VIFPVBQESA-N 366.468 2.025 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223007 JPTWRRGPARKDFH-HNAYVOBHSA-N 356.401 2.492 0 40 FEAB Cn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCOC2 96104020 YVPOCIIVXUAQHM-UHFFFAOYSA-N 355.316 2.321 0 40 FEAB COCCn1ccc2cc(C(=O)NCCc3nnc4ccccn34)ccc21 95473560 BSNPUDVEWOIUBV-UHFFFAOYSA-N 363.421 2.303 0 40 FEAB CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1ccccc1 96251077 IZIGHXNVTVREAE-KZNAEPCWSA-N 364.511 2.406 0 40 FEAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248379903 OHEYYUJZPXPOOX-ZVZLPEGASA-N 355.442 2.371 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242498478 HHBOGWJEQVAYCR-ZMSDIMECSA-N 366.822 2.343 0 40 FEAB Cc1cccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)n1 257311864 ULIBSHIZIGASRX-KSSFIOAISA-N 371.412 2.314 0 40 FEAB CN(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)C1CCC(F)(F)CC1 585083258 JCBFRXWGGFAEEI-UHFFFAOYSA-N 371.409 2.388 0 40 FEAB Cc1cc(CN2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)no1 257312058 UMGXJLLFPZVMRV-MSOLQXFVSA-N 355.438 2.187 0 40 FEAB CN(C)c1cncc([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 257249016 JGIWDIPNOBJAQY-KRWDZBQOSA-N 353.474 2.270 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 257253786 KAHRZFPMCVAOTI-INIZCTEOSA-N 350.426 2.329 0 40 FEAB C[C@]12CCN(C(=O)c3cnccn3)[C@H]1CCC(=O)N2Cc1ccccc1F 257268604 MMJYAAITIKZSJA-PXNSSMCTSA-N 368.412 2.412 0 40 FEAB Cn1cc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c(C(F)F)n1 1123456018 DWEIEVXYCGXBLY-VIFPVBQESA-N 367.331 2.424 0 40 FEAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCO[C@]4(CCCOC4)C3)cnc21 606446282 MIKHZXKVBQZLIP-HXUWFJFHSA-N 372.469 2.287 0 40 FEAB FC(F)(F)c1ccc(-n2nnnc2CN2CCC[C@@H]3COC[C@@H]32)cc1 657304519 LXXLRLPQTQTKHM-RISCZKNCSA-N 353.348 2.292 0 40 FEAB COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](C)C2)C1 1697213386 ROEZVUHOQARMRF-HUUCEWRRSA-N 361.490 2.175 0 40 FEAB CNS(=O)(=O)c1cccc2c1CCN(Cc1ccc3nc[nH]c3c1)C2 671309117 MHLHAYKUMUJNOW-UHFFFAOYSA-N 356.451 2.029 0 40 FEAB CO[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@H]1Cc1ccccc1 585280641 MQVOOYFUTUICDP-UXHICEINSA-N 358.482 2.351 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102859 LIDUMUMRICLIAV-GHTZIAJQSA-N 374.456 2.246 0 40 FEAB CCOC(=O)C1(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCCCC1 58549147 KNTRXXBSXMKMHX-CYBMUJFWSA-N 372.421 2.053 0 40 FEAB C[C@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)N1CCCC1 65532857 BVZPJIMZRFJXEE-HNNXBMFYSA-N 372.465 2.397 0 40 FEAB Cc1nc2cc(C3CCN(C(=O)c4ccccn4)CC3)nn2c(O)c1C 12134029 NFINEBUUXIFONS-UHFFFAOYSA-N 351.410 2.467 0 40 FEAB CC(C)n1ncc2cc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)cnc21 13006120 RRVJIUQRUDTWNR-UHFFFAOYSA-N 372.429 2.061 0 40 FEAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 15197752 QWVZSPBFGBUKKW-YVEFUNNKSA-N 361.419 2.107 0 40 FEAB COc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 15674504 ARHGFRZUHIVBFS-CVEARBPZSA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19569859 DEKDBCQKAPUFRF-GOSISDBHSA-N 366.465 2.427 0 40 FEAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COC(C)C)n1 19698250 NAGKVICTNQWQBA-IBGZPJMESA-N 360.502 2.230 0 40 FEAB Cc1c(-c2cc(CN3CCN(c4ncncc4Cl)CC3)on2)cnn1C 606442253 QSBCFNHHURMGAS-UHFFFAOYSA-N 373.848 2.149 0 40 FEAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(N2CCCC2=O)cc1 4890433 ZZIMRLQVETZRDJ-UHFFFAOYSA-N 369.402 2.240 0 40 FEAB O=S(=O)(NC[C@@]1(O)CCCc2sccc21)c1ccc2c(c1)CCO2 1889148788 MLDFCYANWSYLNK-KRWDZBQOSA-N 365.476 2.185 0 40 FEAB CN(C)CCCC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840825 SLWOMNCZMXTIFJ-NRFANRHFSA-N 373.497 2.143 0 40 FEAB Cc1nc(N(C)CC2CN(c3ncnc4ccsc34)C2)nc(O)c1F 2087022434 LAXNIUKTOZWRHX-UHFFFAOYSA-N 360.418 2.207 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)c1cc[nH]c1)CCO2 2055822736 XEYOMDFLWSZMRF-LJQANCHMSA-N 358.442 2.127 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 16020418 NTUKPSYPNBWTMB-RBUKOAKNSA-N 355.482 2.141 0 40 FEAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)c(OC)c1 67980897 KACDEALTAKKAHI-MRXNPFEDSA-N 353.382 2.113 0 40 FEAB O=C(OCCn1c(=O)oc2ccccc21)c1cc2ccccc2c(=O)[nH]1 30739296 FWAVBMLHRQVOSM-UHFFFAOYSA-N 350.330 2.293 0 40 FEAB CNC(=O)NC(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 3515149 AAJKYXABCHABEK-SFQUDFHCSA-N 368.389 2.235 0 40 FEAB CCC(=O)Nc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1C 4125332 NGVDIIMWKIEVBQ-UHFFFAOYSA-N 360.443 2.029 0 40 FEAB Cn1cnc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4N=C3O)ccc21 101414502 DNFHRDMIOCJULL-HNNXBMFYSA-N 363.377 2.302 0 40 FEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(-c2nnco2)cc1 36826532 NQDNDMJZCPHYOF-SFHVURJKSA-N 365.389 2.432 0 40 FEAB CC[C@H](CNC(=O)CN(C)C(=O)c1ccco1)N1CCc2ccccc2C1 46246522 VADUYEAPTQAYKZ-GOSISDBHSA-N 369.465 2.305 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1OC(F)(F)F 53210719 MIQRLFZCTKOWBT-UHFFFAOYSA-N 371.315 2.388 0 40 FEAB O=C(C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1)N1CCCCC1 41775534 JQBXVPCNIYOTQN-LJQANCHMSA-N 369.465 2.431 0 40 FEAB CCc1cccc(C)c1NC1=NN/C(=c2\ccc3c(c2)CC(=O)N=3)CS1 104980772 QNQVGZIPFFSLMO-SAPNQHFASA-N 364.474 2.087 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)cc1 24051245 SOHXUPHWECPLDP-NSHDSACASA-N 357.428 2.269 0 40 FEAB COc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CCCN3S(C)(=O)=O)oc12 25199810 PVQMOJGWSXJZMM-YPMHNXCESA-N 366.439 2.043 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccncc3)C2)cc1 22258741 OJFCSQQGPPOJQY-OAHLLOKOSA-N 359.451 2.429 0 40 FEAB CC1=NN(c2ccc(C(=O)OCCNC(=O)c3ccncc3)cc2)CC1 56218028 LCQLHEQSDQDPBD-UHFFFAOYSA-N 352.394 2.254 0 40 FEAB CC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1OCC(=O)NC 56333965 UVNGJQXTHHCFHU-OAHLLOKOSA-N 357.410 2.223 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C(=O)NCc1ccco1)C(C)C 43894725 KSHZMUJBPCVJPB-CYBMUJFWSA-N 353.806 2.473 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(CCc2ccccn2)CC1 35310583 KRYGSFHUPKBJSY-UHFFFAOYSA-N 371.506 2.119 0 40 FEAB CN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O 22230571 UYERYOGLVCZBAN-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H](C)O 108502674 NFUJRIWHHGWWRE-QWQRMKEZSA-N 357.406 2.160 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(C(C)=O)cn2C)cc1 58141536 STFWQLLJZCSSIZ-KRWDZBQOSA-N 369.421 2.480 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(Cc2ccccc2)no1 47854349 KPAUKKFSYLMSAU-GOSISDBHSA-N 362.433 2.333 0 40 FEAB CCN(CC)C(=O)CN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1=O 16029478 CRBIAHFYKVJFNL-UGSOOPFHSA-N 353.422 2.051 0 40 FEAB biogenic COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC[C@H]2CCCO2)CC1=O 58404944 FSKJDMDDAMANRP-TZMCWYRMSA-N 366.845 2.387 0 40 FEAB Cc1cc(NC(=O)COC(=O)C2=COCCO2)ccc1Br 3235735 LYCLIKLMVFFFMU-UHFFFAOYSA-N 356.172 2.127 0 40 FEAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c1 113893971 HCANNWIKFWEKQB-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 3459538 LRFTWEHLSJVOAI-GOSISDBHSA-N 359.332 2.371 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1C 3479851 QWTGFUDMPLNJBO-UHFFFAOYSA-N 371.393 2.017 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12998863 PLIZFLGDDHMKAX-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8052380 JTJHRXFCTYCBHL-MRXNPFEDSA-N 374.506 2.365 0 40 FEAB CCN(CC)CCCNC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 13682329 NKBMVNHJHSOWMU-UHFFFAOYSA-N 367.885 2.047 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5166073 QBSGYLMBYDEUCK-LBPRGKRZSA-N 363.373 2.058 0 40 FEAB COc1ccccc1N1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 5427218 BWLHTYCXIUAZOP-QGZVFWFLSA-N 365.433 2.219 0 40 FEAB O=C(CN1CC(=O)Nc2ccccc21)Nc1ccc2c(c1)OCCCO2 6507787 MQXLHMAZVOYHGO-UHFFFAOYSA-N 353.378 2.245 0 40 FEAB Cc1cc(C(=O)CCC(=O)Nc2nc(CC(N)=O)cs2)c(C)s1 14332491 HDGPYMRVWDOLEB-UHFFFAOYSA-N 351.453 2.451 0 40 FEAB CNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 4694644 URNNYXKCYGAPME-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB COCCCN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 4648664 LZQDNWXYJNWEHB-UKTHLTGXSA-N 353.396 2.482 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(C)ccc2O)s1 14679725 ANPDSMRBHKKXLU-UHFFFAOYSA-N 361.419 2.480 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(C)c1 4943996 DGPNFSXCDUMGJJ-UHFFFAOYSA-N 368.499 2.465 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9544701 CBZGXCNFMDPIAD-QBUOGWAXSA-N 367.442 2.034 0 40 FEAB Cc1ccc(-c2n[nH]c3c2[C@]2(C(=O)N(C)c4ccccc42)N(C)C3=O)c(O)c1 8845753 IAYCUTOIWLPXPX-OAQYLSRUSA-N 374.400 2.396 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 408610740 VMTINBHHIYIIAI-LLVKDONJSA-N 352.387 2.140 0 40 FEAB O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 19229200 AQWUBYMQCHAICF-KRWDZBQOSA-N 359.389 2.291 0 40 FEAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(F)cccc1F 71283066 GTILBJXPKAPGJP-JTQLQIEISA-N 354.305 2.201 0 40 FEAB COc1ccc(C(=O)NCC2CCCCC2)cc1S(=O)(=O)N(C)C 9613692 LSPRZNMKCOIBFD-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB CC(C)NC(=O)Nc1cccc(C(=O)N(CCS(C)(=O)=O)C(C)C)c1 89885279 DRVLOSHLYGDUEA-UHFFFAOYSA-N 369.487 2.112 0 40 FEAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306135841 PCLATLFARMEFGQ-UHFFFAOYSA-N 368.485 2.042 0 40 FEAB CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 408908080 SZYUZUPGHPSAFL-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)NC4CCCCC4)nc3c2c1C 64945590 QPSQTMLCZNWZBG-UHFFFAOYSA-N 359.455 2.171 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C2CCCCC2)cc1 32843944 ZFEMKQBMCIWKBU-CYBMUJFWSA-N 354.472 2.153 0 40 FEAB CCS(=O)(=O)N1CC[C@@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 72383741 YUVSQDXFTINFCR-CQSZACIVSA-N 361.471 2.371 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)F)c(Cl)c1 32912515 NQXPSMSDVIMSFK-OIBJUYFYSA-N 351.758 2.091 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@@H](c1ccccc1F)c1nccn1C 36697755 KYFVHNPQFBDCHR-INIZCTEOSA-N 374.441 2.387 0 40 FEAB COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2cccnc2)C1 72354475 CRBGHOPWXSOFRO-IBGZPJMESA-N 353.466 2.345 0 40 FEAB COCC(=O)N1CCC[C@H](c2nccnc2-c2cccc(NC(C)=O)c2)C1 72358768 LWKCVFFGESDJID-INIZCTEOSA-N 368.437 2.454 0 40 FEAB CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 44034363 PYLGLVORJNXWRB-UHFFFAOYSA-N 369.465 2.435 0 40 FEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(=O)O)cc1 45896180 GVPZJLVCBAYVRM-CQSZACIVSA-N 357.370 2.004 0 40 FEAB O=C(O)[C@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCCC2 49467031 BANJIZZIGAOHQU-GOSISDBHSA-N 372.465 2.346 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)N4CCCC4)C3)C2=O)c1 96159837 MBIXDHGVWPCLBG-HXUWFJFHSA-N 357.454 2.335 0 40 FEAB CCN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccc[nH]1)CC2 96199511 XQTOLVDSJOGCRX-INIZCTEOSA-N 352.438 2.421 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2O1)NCc1cccs1 96208490 VKJYYSDOYFPZDG-XYJFISCASA-N 357.479 2.439 0 40 FEAB COc1cc(N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)ncn1 96106889 SCNXETLSJCCKOH-MRXNPFEDSA-N 356.426 2.225 0 40 FEAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC(C)C)C1 96252948 YUCNITGYNMFXAP-FGTMMUONSA-N 359.470 2.066 0 40 FEAB O=C(c1n[nH]c2c1CCCCC2)N1CCN(CCc2ccccn2)CC1 96231761 GIRWGSCUHXSERE-UHFFFAOYSA-N 353.470 2.074 0 40 FEAB COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(O)nc2c1 524731915 OZOHBKJFKISAMU-CYBMUJFWSA-N 366.373 2.397 0 40 FEAB biogenic Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2cocn2)C3)cs1 248047110 RAPWBEVOTLQFQO-GFCCVEGCSA-N 351.453 2.356 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 257244373 IKZVXLMKIWYIHK-INIZCTEOSA-N 356.426 2.053 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)cc1 583622148 SKLYDMNSOPTCTI-AZUAARDMSA-N 357.454 2.476 0 40 FEAB CCCN(CCN1CCN(CC)CC1)C(=O)c1cc2c(s1)CCOC2 585085151 MQQKSCZOTAKXJQ-UHFFFAOYSA-N 365.543 2.311 0 40 FEAB CN(C)c1cccc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257206560 BDZZTTQZBWBLKU-IBGZPJMESA-N 357.454 2.092 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 260903968 ZCCOTIOUZSLDJE-UONOGXRCSA-N 356.488 2.401 0 40 FEAB O=C(O)COc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1 621538466 QIBMWAHHENBNNI-FQEVSTJZSA-N 353.374 2.422 0 40 FEAB O=C(O)c1ccc(OC[C@@H](O)CN2CCc3c(F)cc(F)cc3C2)cc1 652435049 KMUIYENTJSNESM-HNNXBMFYSA-N 363.360 2.461 0 40 FEAB O=C(CN1CCC[C@@](O)(C2CC2)C1)Nc1ccc(N2CCCCC2)nc1 661629565 ZJUOPWXUISQMHG-FQEVSTJZSA-N 358.486 2.247 0 40 FEAB CCc1cnccc1C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962861 PEGMZLUZXYNSIU-UHFFFAOYSA-N 371.481 2.278 0 40 FEAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(C(=O)O)cn1 642207568 WFUAHMYTCVEFJX-AWEZNQCLSA-N 356.378 2.472 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)c1 575402338 AWFOXAYZVPHIJX-KRWDZBQOSA-N 353.422 2.485 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cc1 575403213 GNXXCLIFJLBPRY-INIZCTEOSA-N 351.468 2.344 0 40 FEAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/CN(C)C)s1 585292711 RMOZECRPVRSYNE-HZRUHFOJSA-N 372.498 2.766 0 40 FEAB COCc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C)cc1 64587528 RKZNGTQHEHIELO-UHFFFAOYSA-N 367.449 2.470 0 40 FEAB Cc1cc(O[C@H](C)C(=O)NCCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 5562873 CFYYCTMNMVXAMO-GFCCVEGCSA-N 373.405 2.338 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575607570 NRUOYLHYOJNQFA-IUODEOHRSA-N 357.859 2.065 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)co1 2037839762 CJNJPCPFRUXVJL-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB Cn1ccnc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840457 NCRYHOWZZINAPV-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB Cc1ccc(Cn2c(=O)c3c(ncn3Cc3ccccc3)n(C)c2=O)cc1 970204 PQZAJLFOWQAPPJ-UHFFFAOYSA-N 360.417 2.302 0 40 FEAB biogenic O=C(NCC(F)(F)F)[C@@]1(n2ccnc2)CCCN(Cc2ccco2)C1 2055771754 USDQRUCSNOZAFT-OAHLLOKOSA-N 356.348 2.146 0 40 FEAB Cc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 7994966 DRYAJWAAAHMVCU-NSHDSACASA-N 370.434 2.373 0 40 FEAB O=C(c1cccnc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20436577 FMBWSAMRWYXTHY-UHFFFAOYSA-N 359.813 2.422 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1COCC 6386685 XZUFCEMECMQYES-UHFFFAOYSA-N 362.382 2.362 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)N2CCc3ccccc3C2)c1 7456806 KFYKSKQCFRBSHG-UHFFFAOYSA-N 367.449 2.150 0 40 FEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(=O)n(Cc2ccccc2)n1 46278509 IQPABFFOSUYDIK-KRWDZBQOSA-N 361.401 2.025 0 40 FEAB C[C@H](OC(=O)c1ccc(F)c(F)c1)C(=O)Nc1sccc1C(N)=O 8327547 MPRWONJKLIZIMH-ZETCQYMHSA-N 354.334 2.309 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 2636677 SKROYZRWEZFXAJ-UHFFFAOYSA-N 355.438 2.072 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)cc1 101118338 ZFGQLFJKDPMQRR-IGXNXKSNSA-N 369.508 2.336 0 40 FEAB CC1CCN(C(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)CC1 12003195 VEFDKWWMMFWLSU-UHFFFAOYSA-N 370.858 2.279 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)CC1=O 100775506 JIUOGFIRQQQYBO-ZDUSSCGKSA-N 370.384 2.203 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 32836628 ICPRLEIKYFMXHR-UHFFFAOYSA-N 364.442 2.190 0 40 FEAB Cc1nn(CC(=O)N[C@@H](Cn2cccn2)C(C)(C)C)cc1Br 2781598 HIQCUMYBZGRECD-ZDUSSCGKSA-N 368.279 2.382 0 40 FEAB COc1ccccc1CNC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102527688 YHBQTIJYAVVCQL-HZPDHXFCSA-N 356.422 2.043 0 40 FEAB CC(C)c1nc(CSc2nnc(N3CCOCC3)n2C2CC2)no1 52891534 GQDYNJKGWYMLGM-UHFFFAOYSA-N 350.448 2.248 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)oc1C 22008979 YMTLSEMDFIDGMD-INIZCTEOSA-N 357.362 2.115 0 40 FEAB CCn1c(S)nc2cc(C(=O)NCc3ccc(C)nc3)ccc2c1=O 103549097 FYCCSDFMEFEQMI-UHFFFAOYSA-N 354.435 2.339 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F 56106737 OPJXUFHJBOOPKK-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB COc1ccc(CN2CCN(CCC(=O)Nc3cc(C)on3)CC2)cc1 23301393 SZLAFIPCRACKCO-UHFFFAOYSA-N 358.442 2.138 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 24480137 IHODOAZDMMEARG-UHFFFAOYSA-N 369.469 2.191 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 1397138 KOOMEWSHBUZPBG-UHFFFAOYSA-N 357.841 2.419 0 40 FEAB CCOc1ccccc1OCC(=O)Nc1ccccc1NS(C)(=O)=O 24882904 HBMZGPQYQCBCJD-UHFFFAOYSA-N 364.423 2.474 0 40 FEAB Cc1cc(NC(=O)C(=O)NCC2(c3ccccc3C)CCOCC2)no1 56365169 VUZKTUNJHNYJNG-UHFFFAOYSA-N 357.410 2.095 0 40 FEAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O 60350361 JCAKLCZRYLBEMO-LBPRGKRZSA-N 373.428 2.456 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)Cc1cccc2ccccc12 57380686 UQWGLZMKGACBJR-GOSISDBHSA-N 370.449 2.202 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1 12654919 QIARSOAQIVZRKQ-CYVLTUHYSA-N 366.417 2.325 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccnc(NC2CC2)c1 58018952 AQRAFVQFGLHILI-UHFFFAOYSA-N 358.486 2.421 0 40 FEAB COc1cccc(OC)c1OC[C@@H](O)CNC(=O)Nc1cccc(F)c1 58193346 YLAWPSNTVYMPSQ-AWEZNQCLSA-N 364.373 2.404 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941351 ZWTZVKJNSUHECV-MNOVXSKESA-N 362.879 2.418 0 40 FEAB CCNC(=O)C1(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)CCCCC1 58225802 ILZCIGQQAUVNDE-FMIVXFBMSA-N 357.454 2.015 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)NCC(C)C)n2)c(OC)c1 58217497 HSROLHIHSOYNBB-UHFFFAOYSA-N 350.444 2.353 0 40 FEAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 12757004 LJLKHHCENIIAQY-GFCCVEGCSA-N 355.369 2.096 0 40 FEAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)N3CCOCC3)o2)cc1 48325918 CCNJSZIYNRURPQ-CYBMUJFWSA-N 363.439 2.296 0 40 FEAB O=C(NCCOc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(Cc2ccco2)C1 48375251 CSFFSXZLMWGPAA-KRWDZBQOSA-N 368.433 2.312 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584253 NMJAWAVRTOZJAK-UHFFFAOYSA-N 374.890 2.466 0 40 FEAB CCOc1ccccc1C(=O)NCc1ccccc1CS(=O)(=O)NC 12893750 FFXFRABZZHCEFV-UHFFFAOYSA-N 362.451 2.065 0 40 FEAB Cc1cnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)s1 12950365 DHJAUBXZQOMGIQ-CYBMUJFWSA-N 351.453 2.243 0 40 FEAB Cc1cc(C)n(-c2nnc3n2N=C(c2cccs2)[C@H](CC(=O)O)S3)n1 13013830 BXASEGSJQSBJAC-NSHDSACASA-N 374.451 2.344 0 40 FEAB CCOC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc(C)c1C 4392477 SCYZXSYMOOTJAI-NSHDSACASA-N 359.469 2.305 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCCN2)sc(CC)c1C 14185475 DJDXVERCCZMRDO-NSHDSACASA-N 368.455 2.029 0 40 FEAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(c2nccs2)CC1 14121657 YGIKDTQOMGJWQR-UHFFFAOYSA-N 363.386 2.071 0 40 FEAB COC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 4511593 YORUTYJCCJYASJ-UHFFFAOYSA-N 374.780 2.491 0 40 FEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CCOc1ccccc1F 14246757 SDNUAPPESDNNRS-GFCCVEGCSA-N 372.400 2.333 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)C(C)C)CC3)cc2)n1 14245305 NBOUIQDOOYQQHD-UHFFFAOYSA-N 354.454 2.430 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCc2ccccc2C1 6587841 BKWOAAGGPJCAQM-UHFFFAOYSA-N 355.438 2.216 0 40 FEAB O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 6579000 FEVXOLYFSFINDZ-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB O=C(NCCc1ccccc1)c1nn(-c2ccccc2Cl)nc1CO 8613431 AFMOIRKUKPNAAL-UHFFFAOYSA-N 356.813 2.386 0 40 FEAB COc1cc(C(=O)N2N=CC[C@@]2(O)C(F)(F)F)ccc1OC(F)F 6641890 NGWQBHAZCUPFJR-GFCCVEGCSA-N 354.231 2.379 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCCOc1ccc(F)cc1 7796423 PTNURAUYELMVQZ-UHFFFAOYSA-N 373.388 2.017 0 40 FEAB CCn1nnc2cc(C(=O)N(C)Cc3ccc(C(=O)NC)cc3)ccc21 7847663 GDTWZLWTHSWBJB-UHFFFAOYSA-N 351.410 2.083 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1csc(-c2ccccn2)n1 19942428 UFRKGYFYMHXWKD-UHFFFAOYSA-N 364.452 2.331 0 40 FEAB COCCn1nc(C)c(CNC(=O)[C@@H]2CSc3ccccc3O2)c1C 84013903 KCBMIAXILZEYHM-INIZCTEOSA-N 361.467 2.316 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 75566937 QRSKUGXYZGSRGE-ZWKOTPCHSA-N 367.405 2.080 0 40 FEAB CCOC(=O)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)[C@@H](C)CC 72303241 FXYZFPFONABXPJ-LIRRHRJNSA-N 360.454 2.450 0 40 FEAB CC1(C)NC(=O)N(Cc2noc(C(=O)c3ccc4c(c3)CCCC4)n2)C1=O 97377765 PCPPKLPAEHJROX-UHFFFAOYSA-N 368.393 2.010 0 40 FEAB COc1c(N[C@H](C)Cn2cc(Br)cn2)cccc1C(N)=O 97370226 OARMQEPDRLCFSS-SECBINFHSA-N 353.220 2.254 0 40 FEAB O=C(NS(=O)(=O)[C@@H]1CCOC1)c1cc2c(s1)-c1ccccc1CC2 408384683 JUZULXKQISQSBK-CYBMUJFWSA-N 363.460 2.362 0 40 FEAB O=C(CN1CCC(c2nnc3ccccn23)CC1)NCCc1ccsc1 95958663 ZTUISPFEXQCRQU-UHFFFAOYSA-N 369.494 2.329 0 40 FEAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCCO2 22511957 HGDGXGPHESWGGY-UHFFFAOYSA-N 371.418 2.122 0 40 FEAB Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 3849108 XKUKRFJMBGKQEU-PBHICJAKSA-N 352.321 2.261 0 40 FEAB biogenic Cc1ccnc2nc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)nn12 32739521 CNAAYLGSXNAVAW-UHFFFAOYSA-N 360.757 2.214 0 40 FEAB N[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225665070 JOUCWNPHJYAEHM-YCPHGPKFSA-N 351.811 2.062 0 40 FEAB C[C@@H](O)c1ccc(CCNC(=O)C(=O)Nc2ccc(N(C)C)cc2)s1 225689853 VZRVUWTUAJOVLG-GFCCVEGCSA-N 361.467 2.165 0 40 FEAB COC(=O)c1ccccc1NC(=S)N1CCN(Cc2ccccn2)CC1 225226127 QWKRMKWANHRSRT-UHFFFAOYSA-N 370.478 2.383 0 40 FEAB COc1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222614153 IPNLCXDNLZGSCE-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB Cn1ncc2c(N)nc(N[C@@H]3CCN(Cc4ccccc4)CC3(C)C)nc21 328807133 NOMOOVUBLIEONZ-MRXNPFEDSA-N 365.485 2.658 0 40 FEAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 96043074 ULSSLYXDSTZREY-CWRNSKLLSA-N 358.467 2.465 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)c2ccccc2)C1 96244420 FGAGIVKIPLVBMI-HXUWFJFHSA-N 352.438 2.165 0 40 FEAB CCN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1ccc[nH]1)CC2 96199512 XQTOLVDSJOGCRX-MRXNPFEDSA-N 352.438 2.421 0 40 FEAB Cc1ccc(CN2CC[C@H]3C(=O)N(Cc4cccnc4)CCO[C@H]3C2)o1 96107099 XMFLCAZGEWYHEN-MOPGFXCFSA-N 355.438 2.233 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccco1 248073445 YXOWMSVOCVNCIB-CQSZACIVSA-N 361.467 2.456 0 40 FEAB CCN(CC)C[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 247869533 CPZKGYSEOPXWLD-SFHVURJKSA-N 374.460 2.499 0 40 FEAB COc1cccc2c(C(=O)N3CCN(Cc4cccnc4)C[C@H]3C)n[nH]c12 585084692 UGZNGERXTMCVSX-CQSZACIVSA-N 365.437 2.313 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2F)C1=O 41098360 UEAUQGLSAJMAPJ-SNVBAGLBSA-N 353.369 2.253 0 40 FEAB CN(C(=O)c1ccc(Cc2ccccc2F)nc1)[C@H]1CCS(=O)(=O)C1 257319003 VQGZNDGUGWWDQY-INIZCTEOSA-N 362.426 2.071 0 40 FEAB Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3F)Cc3cncn32)n1 253478092 JCIUMYXCPMYIDR-OAHLLOKOSA-N 367.384 2.397 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ocnc3C)CC[C@H]21 257291159 QFXOWBVRVHZMTP-KZNAEPCWSA-N 353.422 2.460 0 40 FEAB CN(C)Cc1cc(O[C@H]2CCN(Cc3nnsc3Cl)C2)ccn1 1775959355 XGSYKABIXCPUPN-ZDUSSCGKSA-N 353.879 2.301 0 40 FEAB COc1c2c(c(CNC(=O)CC3CCCC3)c3c1C(=O)N(C)CC3)OCO2 604404477 OKSLQEBFKNXAKI-UHFFFAOYSA-N 374.437 2.249 0 40 FEAB biogenic C[C@@H]1CN(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC[C@H]1C(=O)O 626760084 DFBUPALCLXJWLO-IUODEOHRSA-N 362.430 2.032 0 40 FEAB CC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)C(=O)NCc1cccs1 648555567 PRTUPKXOXSGCOG-HACGYAERSA-N 374.462 2.488 0 40 FEAB CN(C)CC(=O)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1 585095283 NHPGDXGGVRHLLI-HNNXBMFYSA-N 360.433 2.011 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@H]21 1551453261 RGDJLKMUFOOUCG-OIMNJJJWSA-N 373.375 2.220 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC(F)F)cc1 5215994 UEYVKXNQDFBUIP-UHFFFAOYSA-N 367.329 2.315 0 40 FEAB COc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2N)cc1OC 11692185 MDNBEVVYZIITNS-UHFFFAOYSA-N 366.421 2.444 0 40 FEAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](C(=O)Nc3cccc(F)c3)O[C@@H]2O1 11859906 RNIOLUYSZZRASJ-XSEXMBABSA-N 367.373 2.161 0 40 FEAB CCN1CCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)CC1 12183226 HFSMWBKOIWCNDK-UHFFFAOYSA-N 351.498 2.485 0 40 FEAB COCCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 12322459 DWEZVWNVDVHESC-UHFFFAOYSA-N 361.829 2.396 0 40 FEAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C 16024064 QBFXRSFIBIVMED-ZDUSSCGKSA-N 362.451 2.437 0 40 FEAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCOCC1 19347106 NXTZNUZJDDBYIJ-UHFFFAOYSA-N 370.478 2.213 0 40 FEAB CCCCN1C(=O)S/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)C1=O 5552469 VFNMFZNRLWNCPJ-YPKPFQOOSA-N 360.391 2.324 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F 665763012 XEODLYHAEPELES-UKRRQHHQSA-N 374.409 2.497 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(C[C@H]4CCCO4)CC3)cnc2c1 1849465617 CPYYBANXTPVFNZ-QGZVFWFLSA-N 357.454 2.296 0 40 FEAB FC(F)(F)c1nnc2ccc(N3CC(COc4cccnc4)C3)nn12 1776001744 JFMNXGQFHONWJK-UHFFFAOYSA-N 350.304 2.053 0 40 FEAB Cn1ccc2cc([C@@H](O)CNC(=O)[C@@H]3COc4ccccc4O3)ccc21 238952612 XGNHEUIOTSHNCO-LPHOPBHVSA-N 352.390 2.168 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(c4ccnc(C)c4)CC[C@H]3C2)cn1 2056224108 DFJHUQSLINLPTB-IYBDPMFKSA-N 367.453 2.177 0 40 FEAB O=C(O)CCCCCOC(=O)CCCCCNC(=O)CCCCCO 2060999802 PJMMWTADQQGQSI-UHFFFAOYSA-N 359.463 2.404 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1csc(C)n1)CC2 1565556163 XODVDQUAGGDARH-CQSZACIVSA-N 365.499 2.189 0 40 FEAB CCOC(=O)C1(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)CC1 1565554781 FGAGCQQISFZRNK-UHFFFAOYSA-N 372.469 2.029 0 40 FEAB CC1CCC(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)CC1 1565547230 MNQVNQVGSXHLMW-NUUXYWTLSA-N 364.486 2.373 0 40 FEAB O=C(Nc1nnc(C2=COCCO2)o1)c1cccc(Br)c1 4264391 MFFJNDLOMREIGQ-UHFFFAOYSA-N 352.144 2.430 0 40 FEAB COc1ccc(C(=O)NCCS(=O)(=O)N(CC(C)C)CC(C)C)cc1 4940932 JNRDWBNGXWHOBG-UHFFFAOYSA-N 370.515 2.369 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H]1COC2(CCCCC2)O1 7595495 KQDCCUGDDWVLHW-CQSZACIVSA-N 355.456 2.358 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9036308 CSMZELNQFCVRFF-AWEZNQCLSA-N 362.426 2.466 0 40 FEAB Cc1cccc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1 17122644 LUPJAFQTTKWNHE-UHFFFAOYSA-N 358.463 2.113 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CCN(c1ncccn1)C2 2055798613 DBHWPLNBINZHAW-UHFFFAOYSA-N 353.426 2.475 0 40 FEAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ncn[nH]3)C2)n1 220816777 TUGNYUQDSPICKH-ZDUSSCGKSA-N 352.398 2.258 0 40 FEAB Cc1nccn1-c1cccc(N2CCN(c3ncc(Cl)cn3)CC2)n1 2298062002 XOLHRQLMRASTRS-UHFFFAOYSA-N 355.833 2.346 0 40 FEAB COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nn2)cc1OC 40073483 BMJMGPAEMLUWGM-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB CC1CCN([C@@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)CC1 50156555 MCPRMKJMLRCIOD-IBGZPJMESA-N 372.513 2.367 0 40 FEAB Cn1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1=O 30876326 KBDBRYFMHMTMKP-UHFFFAOYSA-N 365.433 2.082 0 40 FEAB Cc1ccc2c(COC(=O)c3c(C)c(C)nn(C)c3=O)cc(=O)oc2c1C 30816117 CNIYPSQDJSXZQE-UHFFFAOYSA-N 368.389 2.477 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cn3ccsc3n2)c1 28813443 CXVWWZDZDCIMBZ-UHFFFAOYSA-N 365.436 2.076 0 40 FEAB COc1ccccc1CNC(=O)CSc1nnnn1-c1ccc(C)cc1 3478107 UTQPRDHSNKQLDD-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB COCCOc1ccccc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 54086632 NHMXIRGEKCWUKP-UHFFFAOYSA-N 370.453 2.269 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccnc1OCCOC 53029578 NEQKRHSHYFILKC-UHFFFAOYSA-N 358.394 2.498 0 40 FEAB CC(C)Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc(F)c1 8938513 ULZRJKDRSXCDAT-UHFFFAOYSA-N 351.403 2.475 0 40 FEAB CCOC(=O)C1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 53558675 WJDKQQBXOUNVDO-UHFFFAOYSA-N 358.442 2.411 0 40 FEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3nnc4ccccn34)c12 22506791 FWZBMFDOKHGFAH-UHFFFAOYSA-N 363.425 2.373 0 40 FEAB O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CCCN(c2ncccn2)C1 8992488 STFNQXPOJFEQIT-OAHLLOKOSA-N 364.409 2.059 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@H]1CCCO1 804598 CHQOWKKOIQKQBC-GOSISDBHSA-N 374.462 2.325 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)CCO3)C2=O 23102340 SDBICOMOXXPROJ-BLVKFPJESA-N 357.410 2.061 0 40 FEAB CC(=O)Nc1cccc2c1CCN(CCc1nc3ccccc3c(=O)[nH]1)C2 54394204 NMQMYLOZYBRPLB-UHFFFAOYSA-N 362.433 2.482 0 40 FEAB Fc1ccc([C@@H](CNc2nnnn2-c2ccccc2)N2CCOCC2)cc1 23381264 GJYLSHAATDKEFG-GOSISDBHSA-N 368.416 2.287 0 40 FEAB COc1cccc(C(=O)N2CCN(Cc3nc(C)cs3)CC2)c1OC 21686979 MELMISLZFLHKSP-UHFFFAOYSA-N 361.467 2.427 0 40 FEAB Cc1ccc(O)c(CNCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)n1 108420620 ZZBVUBCPLANJFO-GOSISDBHSA-N 368.481 2.083 0 40 FEAB C[C@H](C(=O)Nc1nc2c(s1)CCCC2)n1nnc2ccccc2c1=O 44450410 LAIIHCTYIMJQHT-SNVBAGLBSA-N 355.423 2.327 0 40 FEAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 8263702 MBHLTIQSJKBKBL-ZDUSSCGKSA-N 364.829 2.105 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 58051730 IXIPBMOMGDKMHJ-UHFFFAOYSA-N 356.407 2.496 0 40 FEAB CN1CCc2nc(NC(=O)c3csc(-c4cnn(C)c4)n3)sc2C1 44904502 DHROJELWONKISK-UHFFFAOYSA-N 360.468 2.240 0 40 FEAB NC(=O)CCSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 10377353 KWDQNTUEJAMCDP-UHFFFAOYSA-N 351.863 2.488 0 40 FEAB CC(C)[C@@H](NC(=O)CN1C[C@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 12755393 ZHSOZLNHDZUNFN-QEEYODRMSA-N 362.470 2.380 0 40 FEAB C[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 12820285 QWEYRKRQTXQRDQ-QGZVFWFLSA-N 351.516 2.486 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)N[C@@H](c1ccccc1)c1cccs1 12910800 LIKZWOHMWHDDHF-YOEHRIQHSA-N 369.446 2.380 0 40 FEAB O=C(NCCCc1ccccc1)c1nn(-c2ccccc2F)nc1CO 8613534 RFSPICDDBFHQDO-UHFFFAOYSA-N 354.385 2.261 0 40 FEAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1cccnc1N1CCCC1 65478766 CBXHQQSSJQLGMK-SJLPKXTDSA-N 373.501 2.304 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCCc1ccc(OC)cc1 15084005 LFESVAGDXFPWJM-UHFFFAOYSA-N 355.437 2.064 0 40 FEAB Cc1cc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)[nH]n1 6953437 QSDPRAYNUOYKBI-UHFFFAOYSA-N 353.411 2.348 0 40 FEAB CCOC(=O)C1CCN(Cn2nc(-c3cccnc3)n(C)c2=S)CC1 8708854 OAQKLDCNFHJBIT-UHFFFAOYSA-N 361.471 2.246 0 40 FEAB CC(C)n1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 7236959 BKKDJYZBRZNNDO-ZDUSSCGKSA-N 361.467 2.365 0 40 FEAB O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842436 QJWDYKVJXUQXPE-UHFFFAOYSA-N 362.451 2.373 0 40 FEAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccc2c(c1)OCO2 7535621 SEPIXBUDWCUNCL-UHFFFAOYSA-N 361.781 2.471 0 40 FEAB CC(C)Oc1ccc(C(=O)COC(=O)CSc2nnc(N)s2)cc1 9194183 ZNUCNKYFGSGBKB-UHFFFAOYSA-N 367.452 2.426 0 40 FEAB CN(C)[C@@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 71824171 XEKQIXSVRKZQAE-ZDUSSCGKSA-N 361.364 2.084 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1F 83854337 FTDWFNJEEHUPMQ-SJORKVTESA-N 364.417 2.219 0 40 FEAB CN(Cc1cccc(C(N)=O)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 83864114 KQKSAXJINADDBI-INIZCTEOSA-N 369.446 2.247 0 40 FEAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc2c(c1)CCC2 9690497 SWTSPKRIIMQXRB-NSHDSACASA-N 372.498 2.269 0 40 FEAB CCCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22230147 ZFAPGZWXQVONMK-INIZCTEOSA-N 368.499 2.463 0 40 FEAB O=C(NCCO)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 98067138 WBWFHIXUBCNVPR-UHFFFAOYSA-N 372.805 2.002 0 40 FEAB CC(C)(NS(C)(=O)=O)c1nc(-c2cc(Br)cs2)no1 95964292 SGDAGXQQDYAJNC-UHFFFAOYSA-N 366.262 2.345 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCCC[C@@H]3CCCC[C@@H]3O)CC2=O)c1 89470144 VILXMUMVRGNFLM-FCEWJHQRSA-N 374.481 2.496 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCC(N)=O 409075567 XACRCXSEJQXIQV-MDWZMJQESA-N 350.396 2.006 0 40 FEAB Cn1nccc1[C@H]1[C@H](NCc2nc3ccccc3o2)CC(=O)N1C1CC1 500425268 NVDKOTGWANDIMS-AUUYWEPGSA-N 351.410 2.156 0 40 FEAB Cc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)n1 36741414 ZVLKYRRWIIWDKM-VQIMIIECSA-N 368.481 2.272 0 40 FEAB CCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35349306 LABSMHVVDHJZJF-RBUKOAKNSA-N 351.450 2.085 0 40 FEAB CCc1cc(N2C[C@H](C(N)=O)CC2=O)cc(C)c1I 45889747 KAOFPQUOUYKSRZ-SNVBAGLBSA-N 372.206 2.000 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)ccc2C)c1 225927452 CKIFSMFGZWFSBL-UHFFFAOYSA-N 368.480 2.321 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c2cccnc12 223281860 XMXSEHAKTPWOCD-UHFFFAOYSA-N 371.418 2.452 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCCC1 225202721 OMEGLCXYWFWBCD-CYBMUJFWSA-N 354.472 2.254 0 40 FEAB Cc1ccc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 95483516 XVWGFAWMLKPGRR-UHFFFAOYSA-N 354.479 2.382 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 96216007 YVKWPBTXWLKNTF-IBGZPJMESA-N 355.442 2.210 0 40 FEAB Cc1cncc(C(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)c1 96254651 SRKVCBCVLIJZHU-UHFFFAOYSA-N 351.454 2.330 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccnnc3)CCO2)n1 257276664 NUQVDWMIDCMWES-KRWDZBQOSA-N 365.393 2.357 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)s1 257281681 OQLNSMYIXRCWBL-HOTGVXAUSA-N 356.447 2.309 0 40 FEAB COc1ccc(NC(=O)CN2CCNC[C@H]2c2ccccc2OC)cc1 262311528 YZLCMKVDEGNXFZ-SFHVURJKSA-N 355.438 2.289 0 40 FEAB Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccn(C2CCOCC2)n1 656636563 MXWSRDSZKQMJRL-UHFFFAOYSA-N 365.411 2.042 0 40 FEAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 1252559376 NYCLBBTYXTYWMM-UHFFFAOYSA-N 350.484 2.288 0 40 FEAB O=C(c1ccc2ncsc2c1)N1CCC(Cn2cnccc2=O)CC1 585636935 BIISLIUFPRIGTN-UHFFFAOYSA-N 354.435 2.405 0 40 FEAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccccc1F 585262285 BJSXVMHADFNNMF-BDXSIMOUSA-N 363.360 2.026 0 40 FEAB O=C(NCc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CCC[C@H](O)C1 684886280 IBNQWKIJNGOHMO-CVEARBPZSA-N 367.877 2.279 0 40 FEAB Cc1ccccc1-n1c(=O)cc(Nc2ccc3c(c2)OCCO3)[nH]c1=O 44019608 WDMCGOUKHBXPFT-UHFFFAOYSA-N 351.362 2.349 0 40 FEAB CC(C)N(C)S(=O)(=O)NCc1ccc(NC(=O)c2ccco2)cc1 58210212 COHOQNSZMXRGPP-UHFFFAOYSA-N 351.428 2.207 0 40 FEAB CCn1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 12142562 HCTSJTLEYDVTJJ-QFBILLFUSA-N 368.485 2.100 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)C[C@H]3CC(C)(C)OC3=O)cc2n1 12154070 IYJYLKBELDZMGE-GXTWGEPZSA-N 372.425 2.139 0 40 FEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)CC[C@@H]2CCCO2)on1 12337716 FGKNHHIUHCTKDK-AWEZNQCLSA-N 373.457 2.424 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)cc2o1 12508368 WRUQIPVKKJBSGK-UHFFFAOYSA-N 368.374 2.379 0 40 FEAB COc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1 19240591 UURDELLDFCUTPC-BURFUSLBSA-N 355.438 2.464 0 40 FEAB Cc1nc(CN2CCN(C(=O)[C@@H](C)Cn3cc(Cl)cn3)CC2)cs1 19285562 ZCCANMCNDWVWJR-LBPRGKRZSA-N 367.906 2.282 0 40 FEAB O=C(COc1ccccn1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19402192 QGQKZBJERQHMKQ-UHFFFAOYSA-N 364.405 2.103 0 40 FEAB C[C@@]1(NC(=O)CCn2c(C(F)F)cc3cccnc32)CCS(=O)(=O)C1 19461296 AMWQEJLLZYTSBH-MRXNPFEDSA-N 371.409 2.057 0 40 FEAB CC[C@H]1CCCCN1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19500944 KWAUXDRUIIMFQG-AEFFLSMTSA-N 371.529 2.093 0 40 FEAB COc1ccc(OC)c(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 19551647 QDIXTQZYMBHEQW-GOSISDBHSA-N 354.454 2.477 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c1 19564735 XFHFVXLTIZQFKC-OAHLLOKOSA-N 352.438 2.151 0 40 FEAB Cn1cc(-c2noc([C@]3(C4CCCC4)CCNC3=O)n2)c(C(F)(F)F)n1 624632731 JZQUMXFJKIBWRO-HNNXBMFYSA-N 369.347 2.437 0 40 FEAB Cn1c(O)nc2ccc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)cc21 676908254 PPAOUUAZUTWZMK-UHFFFAOYSA-N 368.412 2.376 0 40 FEAB O=C1[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)N1c1ccccc1 1888850064 COHMNZBWSHTFIG-TXEJJXNPSA-N 362.311 2.121 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@H](c2ccccc2)C1 30765993 XZFUHGZVPRLKCE-IBGZPJMESA-N 366.417 2.402 0 40 FEAB Cc1nc2ccccc2n1C1CN([C@H]2CCN(CC(F)(F)F)C2=O)C1 1776008696 MTEYXULJQPAMMW-HNNXBMFYSA-N 352.360 2.365 0 40 FEAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226564 VBTIBTJWKVBDDN-GPANFISMSA-N 360.495 2.177 0 40 FEAB Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)nn12 264560264 OLGUPWWJZBTYBL-UHFFFAOYSA-N 370.844 2.439 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccco1 4328091 BAJQFJZGCQJMPX-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB C[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 4479660 JMSCYCRGTCUGDY-ZIAGYGMSSA-N 359.426 2.005 0 40 FEAB COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(OC)c(OC)c1 4751477 SUCOMIFIMIQSRV-XHDPSFHLSA-N 350.367 2.076 0 40 FEAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccco3)cc21 5442196 NMVOORRFGXEUJI-UHFFFAOYSA-N 369.421 2.470 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 8961782 GIODEZYSSAUPTC-UHFFFAOYSA-N 370.789 2.402 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1nccs1 12361087 WLKABAYXEHVMKA-UHFFFAOYSA-N 372.428 2.124 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@H](N4CCCC4)C3)cc2NC1=O 69491493 SHQWCLLUYIQPIV-ZFWWWQNUSA-N 358.442 2.498 0 40 FEAB CC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 11188270 VZZQRFVLWRXPGQ-CYBMUJFWSA-N 364.496 2.121 0 40 FEAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 920884 VIMVZEZSGRYXAQ-UHFFFAOYSA-N 372.512 2.082 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4133547 JFRVGPHECFBAMY-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB CCCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11566119 FXJZXEQAERASRJ-UHFFFAOYSA-N 368.499 2.417 0 40 FEAB CCCCn1nnnc1CN1CCC(C(=O)NCc2ccccc2)CC1 29188711 NXUIOGMDJFSWDQ-UHFFFAOYSA-N 356.474 2.002 0 40 FEAB COc1cc2c(cc1NC(=O)CN(C)S(C)(=O)=O)oc1ccccc12 46121411 UYCFIXCCWLQCAZ-UHFFFAOYSA-N 362.407 2.425 0 40 FEAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)NCc3ccccc3)cnc12 32102202 MJSRVBNGIWKOMJ-UHFFFAOYSA-N 362.389 2.471 0 40 FEAB COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)NC1CCCCC1 8475746 MEWLATPPZNCLIF-UHFFFAOYSA-N 352.456 2.198 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)COc2ccccc2)cc1 8492778 SBINAZFQTFXHEN-UHFFFAOYSA-N 355.390 2.170 0 40 FEAB COc1cccc(CNC(=O)c2nn(-c3ccc(C)cc3)nc2CO)c1 21172705 DXPWLPJOCHETTL-UHFFFAOYSA-N 352.394 2.007 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 102342439 DNEIWPBFXZVYKF-HAGHYFMRSA-N 368.477 2.286 0 40 FEAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)Cc2nonc2C)c1 100112425 KCEOYCYUDAUBKF-LBTNJELSSA-N 357.410 2.388 0 40 FEAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3nc4ccccc4o3)o2)C1 21625027 AFANYVRYPBNWRG-JTQLQIEISA-N 365.436 2.480 0 40 FEAB CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)N2CCNC2=O)o1 21622695 HCDCKCDEFRDMSW-SNVBAGLBSA-N 362.411 2.168 0 40 FEAB CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1C(=O)NC 103068798 VEQYLSIGAPGHQD-HNNXBMFYSA-N 356.426 2.012 0 40 FEAB CC1(C)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 41626298 OROITRWADQOKMG-UHFFFAOYSA-N 364.877 2.183 0 40 FEAB CCCC[C@H](c1nnnn1CCOC)N1CCN(c2ccccc2)CC1 57670059 DQMSWOJQZHAWFP-GOSISDBHSA-N 358.490 2.373 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 22557224 IXJWHUOHKDQRJQ-KBPBESRZSA-N 370.405 2.432 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cc(N3CCOC3=O)ccc2F)[C@H]2C=C[C@H]1C2 103767851 ZJUPDNXLBXLTMR-CHPZLBCBSA-N 360.341 2.244 0 40 FEAB CC[C@@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063913 CRUMSDYFBKFSDU-SNVBAGLBSA-N 368.455 2.129 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 839316 VSZUOQGWEJBGLL-NSHDSACASA-N 352.346 2.081 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2cnn3cccnc23)CC1 42919664 XJBBWSCNJTXCSW-UHFFFAOYSA-N 363.421 2.072 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 20041405 WMUDIVCQTNKERM-XYPHTWIQSA-N 356.422 2.214 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12525845 XXINZLMKKUYKPZ-UHFFFAOYSA-N 362.407 2.022 0 40 FEAB O=C(OCC(=O)C1CCCCC1)c1ccccc1CN1C(=O)CNC1=O 23204226 PMWUGEKGLOYYNS-UHFFFAOYSA-N 358.394 2.045 0 40 FEAB CNC(=O)c1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 47777185 XTUXKOKQPIPIHI-UHFFFAOYSA-N 373.384 2.416 0 40 FEAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 57427099 AVPVFGHWSVUNNZ-UHFFFAOYSA-N 371.462 2.341 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1 3246208 NJSDXBRXMJVKOD-UHFFFAOYSA-N 366.417 2.247 0 40 FEAB aggregator COc1ccc(Cl)cc1CNC(=O)c1cnn(-c2ccc(O)nn2)c1C 58114306 MQGWFIAQRXMTSE-UHFFFAOYSA-N 373.800 2.268 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc3c(c2)OCO3)C1 26772237 YWZRZBRWSJYIKP-QWHCGFSZSA-N 369.446 2.393 0 40 FEAB CN(C)C1(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CCCC1 58268919 NWCJTYSZZQEOLQ-UHFFFAOYSA-N 374.485 2.155 0 40 FEAB O=S(=O)(c1cccc(CN2CCOc3ccccc32)c1)N1CCOCC1 58366433 RCIXGKZKJMWYFV-UHFFFAOYSA-N 374.462 2.107 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccnc2S)CC1 58426640 DHGYQVQKYRGAOB-UHFFFAOYSA-N 359.426 2.037 0 40 FEAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 172921406 AFDKNWBEGHVNSX-UHFFFAOYSA-N 372.465 2.341 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 28259108 QSQYQXPKDFPMQO-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 3595806 SFCDCHHSPVFQSJ-DJJJIMSYSA-N 359.426 2.443 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 13061280 HAYIJDSGTQNIGA-UHFFFAOYSA-N 360.435 2.101 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)o1 48985496 OKKNBSZZTDOUBX-CYBMUJFWSA-N 357.410 2.414 0 40 FEAB COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2OC)c(C(=O)O)c1 13316186 PVIWONBLMZTWEI-LBPRGKRZSA-N 359.378 2.486 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)NC(C)(C)C 6212973 UXNVQDCWAGOGMI-UHFFFAOYSA-N 372.425 2.270 0 40 FEAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCOCC3)o2)cc1 14137212 UTJUUNOQTQSGAQ-GFCCVEGCSA-N 363.439 2.475 0 40 FEAB CCCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843741 NXSQXALWTDIJKI-GOSISDBHSA-N 374.466 2.297 0 40 FEAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@H](O)COCc1ccc(Cl)cc1 69951129 WSKBQDGUMLNPCF-YOEHRIQHSA-N 369.870 2.100 0 40 FEAB O=C(Cn1ccccc1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7399152 YWOZJCMHNFNHIJ-UHFFFAOYSA-N 363.421 2.472 0 40 FEAB COc1cc(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1C 76494773 LTAGGMZSPWEKIM-NVXWUHKLSA-N 353.484 2.360 0 40 FEAB CS[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@H]1N(C)C 95996474 YWGMZYKFXMOBOL-RQJHMYQMSA-N 355.411 2.066 0 40 FEAB COC(=O)C[C@H](NC(=O)CCOC(C)=O)c1ccc(Br)cc1 79016218 PQIFKLPDTNAWQA-ZDUSSCGKSA-N 372.215 2.123 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 79415964 CTKGQILSIQZGRL-INIZCTEOSA-N 367.858 2.141 0 40 FEAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 20035296 SIWZAIUKKAZUFD-KRWDZBQOSA-N 353.894 2.251 0 40 FEAB COc1ccc(C[C@H](C)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 548673293 GOUXQDZYSKXBBD-XXHMAFKTSA-N 370.497 2.477 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(C)cc2)C1 72362734 XMHUSBDWGGVHHV-INIZCTEOSA-N 368.437 2.419 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N1CCCCC[C@@H]1c1cccn1C)n1cccn1 120249712 XPKVGWNVQNYKOS-FUHWJXTLSA-N 371.485 2.385 0 40 FEAB COCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)CC1 72396743 USYPANIEGXZTQM-UHFFFAOYSA-N 369.425 2.468 0 40 FEAB CN(C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1 222757755 XVSUIBAAFXYJKS-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB CC(C)[C@H](C(=O)NC[C@H]1COCCO1)n1cnc2cc(F)c(F)cc21 61411008 UBCQWSIBTPJODB-MEDUHNTESA-N 353.369 2.043 0 40 FEAB COc1ncccc1CN1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107611 YIUVWBSWGXVCCA-ICSRJNTNSA-N 355.438 2.435 0 40 FEAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)C(=O)N1CC1CC1 96261491 BHYNCIZNNSIAQP-OXFYSEKESA-N 358.486 2.390 0 40 FEAB Cc1ncc(CNCCO)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95473417 OCVASGHKGCXLMT-UHFFFAOYSA-N 368.389 2.220 0 40 FEAB COc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 96111714 ZDKHFLQNQIMPSL-BBRMVZONSA-N 352.390 2.334 0 40 FEAB biogenic,in-vitro O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)N1CC[C@]2(CCNC2)C1 578966797 HVBKJWQLIWSTMW-IBGZPJMESA-N 363.425 2.033 0 40 FEAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(N)=O)c3)cc21 96183413 ZJTMOMKDWMIBPP-UHFFFAOYSA-N 373.434 2.206 0 40 FEAB COc1ccc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccn3)C2)cc1 248138550 OQOUJPPWIAVUQZ-SFHVURJKSA-N 364.405 2.390 0 40 FEAB COc1cc(N2CC3(C[C@@H](CCOc4ccccn4)CCO3)C2)ncn1 247878439 HZRKOXKQGXLRKZ-HNNXBMFYSA-N 356.426 2.335 0 40 FEAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@H]1c1ncon1 246483670 CNPCRTGOZIMYKB-MSOLQXFVSA-N 370.453 2.414 0 40 FEAB Cc1cc(C)n(CCCC(=O)NCc2ccnc([C@]3(C)CCCO3)n2)n1 257207287 BHCOLERNZUTXFB-IBGZPJMESA-N 357.458 2.412 0 40 FEAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)nn1C 585138490 VZXVQEUSUBUQEB-UHFFFAOYSA-N 374.249 2.442 0 40 FEAB COCc1c(C(=O)N2CCC[C@H]2c2cc(N(C)C)nc(C)n2)noc1C 257224897 FDWBLINHBCYPLR-HNNXBMFYSA-N 359.430 2.271 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2ccn(C)n2)C1 257255767 KITQSYQFTNENMM-CQSZACIVSA-N 366.425 2.187 0 40 FEAB O=C(c1cc2occc2s1)N1CCC(c2nnc3n2CCNC3)CC1 646346726 TTXRUVLHEMVLAP-UHFFFAOYSA-N 357.439 2.209 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)N[C@@H]1CCc2c(nnn2C)C1 654532780 AOWXSSDHKWVHHG-CYBMUJFWSA-N 353.426 2.269 0 40 FEAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cc4ccccc4n3C)C2)n1 1775958101 CZZBCJKPNIWOKN-JJRVBVJISA-N 354.410 2.154 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365568 MUXQVZKTLDWTFE-CQSZACIVSA-N 373.459 2.380 0 40 FEAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3)C2)c1 585112660 UUNCLXZXCXFTLW-GOSISDBHSA-N 374.510 2.423 0 40 FEAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)NC2CC2)C1 55339523 OFZUNIKJOWDCKM-SNVBAGLBSA-N 367.247 2.367 0 40 FEAB C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)NC(N)=O 56187512 GYVOYWABGJZSNB-QMMMGPOBSA-N 351.300 2.099 0 40 FEAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 56951837 MJRIZQRZRQXXMN-SJLPKXTDSA-N 368.437 2.049 0 40 FEAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 752041 NNAGHKDZEISWHG-UHFFFAOYSA-N 352.346 2.098 0 40 FEAB COCC(=O)N1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 1534646963 YKQBRLOJFGRZSC-STQMWFEESA-N 350.390 2.048 0 40 FEAB CC1=NN(CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)CC1 12239285 PZBWYCXXXPVCNK-UHFFFAOYSA-N 368.441 2.309 0 40 FEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)CC[C@H]2CCCO2)on1 12337717 FGKNHHIUHCTKDK-CQSZACIVSA-N 373.457 2.424 0 40 FEAB O=S1(=O)N[C@H](C2CCN(Cc3ccccn3)CC2)Nc2ccccc21 13267404 JBJFBFITIMEEAU-GOSISDBHSA-N 358.467 2.024 0 40 FEAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 14142305 GPAOVLCPDGNSFT-IBGZPJMESA-N 369.377 2.278 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(F)cc2)cc1 15789576 ADDNDRNGYVWQDD-UHFFFAOYSA-N 364.442 2.114 0 40 FEAB CCn1cncc1C(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 19705909 PJIAIRGQROVDRI-OAHLLOKOSA-N 355.442 2.020 0 40 FEAB O=C(O)CCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 3904530 VKGITFIUIGCQGE-QFBVAWSSSA-N 356.378 2.025 0 40 FEAB COc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)ccc1O 19550079 KHNWXOITVLJJAN-INIZCTEOSA-N 366.425 2.114 0 40 FEAB Cc1cc(O[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)nc(C)n1 575609122 JBSAKMPYHDFHLK-MRXNPFEDSA-N 369.421 2.435 0 40 FEAB Fc1cncnc1N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775994985 AIAQEYHSSILVOQ-UHFFFAOYSA-N 368.420 2.038 0 40 FEAB O=C(COc1ccccc1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840261 KUVZCWIZCBDOHS-OAQYLSRUSA-N 366.417 2.100 0 40 FEAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)N(C)Cc4ccccn4)O[C@H]3C2)C1 1565548451 DALVJWITCWPTTR-ZEBNZUKZSA-N 371.481 2.092 0 40 FEAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCC(C)CC3)cnc21 4479004 UGBHGCNESNMAJX-UHFFFAOYSA-N 365.437 2.149 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccc(F)cc2)cc1 9570509 IMNXSWOTKDLYFN-UHFFFAOYSA-N 355.373 2.059 0 40 FEAB COc1ccc(-c2n[nH]c(NCc3ccc4c(c3)OCO4)nc2=O)cc1 16048500 AEGFFQQQCOVXQC-UHFFFAOYSA-N 352.350 2.181 0 40 FEAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccn(C)c1=O 23136209 NPCFQHPOPHYBLH-UHFFFAOYSA-N 373.413 2.051 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)Cc1ccco1 206621714 CIDQVOCOPMSACS-INIZCTEOSA-N 354.765 2.121 0 40 FEAB CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19533028 GZODYSKOYQJXTE-LJQANCHMSA-N 366.465 2.427 0 40 FEAB CCn1c(O)c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 5445120 AZNKJPMUSRXBBR-UHFFFAOYSA-N 366.373 2.386 0 40 FEAB Cc1ccc(C(=O)C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c(C)c1 40086392 RYRCBKWEEARDKF-GOSISDBHSA-N 358.482 2.493 0 40 FEAB C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)Cn1cccn1 40154834 ZNSMRYFDABUSCM-NVXWUHKLSA-N 372.444 2.327 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)nc1 40122106 TYTDZXFQFWFDRR-DOTOQJQBSA-N 358.486 2.241 0 40 FEAB N=C(NC1=N[C@H](CC(=O)Nc2ccc(F)cc2)C(O)=N1)Nc1ccccc1 20101678 YRDJDWQYVNURJM-CQSZACIVSA-N 368.372 2.485 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 2440513 QJRQSKXFWWADBJ-CMDGGOBGSA-N 354.318 2.216 0 40 FEAB O=C(O)CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCC3)c2c1 31819997 FFOCXHQSWNAGKM-KRWDZBQOSA-N 359.382 2.193 0 40 FEAB NC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 7573889 STPFXLOXHDSINC-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1 32819439 IMMWNVAQHJPFEU-UHFFFAOYSA-N 362.389 2.297 0 40 FEAB COc1ccccc1[C@@H](C)NCCOc1ccc(S(N)(=O)=O)cc1 32850948 VYZDSTIFLMRPPE-CYBMUJFWSA-N 350.440 2.072 0 40 FEAB COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 10112601 DRNGPBIWNMTMIY-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CN2CCCC2=O)c1 52559476 ANOTUJOTWPETCZ-CQSZACIVSA-N 357.454 2.442 0 40 FEAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2F)n1 11916953 HSNMSSDNNKOPSH-UHFFFAOYSA-N 374.191 2.034 0 40 FEAB c1cc2c(cc1[C@H](c1nnnn1C1CCCCC1)N1CCOCC1)OCO2 33428867 VGDGJWGKXWWENF-GOSISDBHSA-N 371.441 2.329 0 40 FEAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccs1 23108084 ZHZWRVUWZIFBMJ-HNNXBMFYSA-N 370.471 2.239 0 40 FEAB O=C(c1ccccc1)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 23409508 ZCFDKFZYDASPJA-IBGZPJMESA-N 372.440 2.161 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)CCNC(=O)c1ccc2ccccc2c1 24754230 GRMJDZBRJLYDIK-UHFFFAOYSA-N 350.422 2.352 0 40 FEAB Cc1cc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 25054215 LWRHLGXCEJYTPO-ZDUSSCGKSA-N 372.425 2.366 0 40 FEAB CCN(CC)[C@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 106920718 JYSRBIVQRLSWPA-CABCVRRESA-N 353.457 2.428 0 40 FEAB O=C(NC1CC1)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 55914935 OPTPYSXLQBWXID-UHFFFAOYSA-N 370.902 2.104 0 40 FEAB C[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35301295 PHMVSNAYUYVIRB-QGZVFWFLSA-N 351.450 2.149 0 40 FEAB CCN(c1cccnc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 57875209 PRSLDXDWJJVWGV-UHFFFAOYSA-N 374.871 2.354 0 40 FEAB Cn1c(CN2CCCc3ccc(C(F)(F)F)cc32)cc(=O)n(C)c1=O 12543033 QOKFNWHYWBYZDF-UHFFFAOYSA-N 353.344 2.056 0 40 FEAB CN(C)c1ccc(NC(=O)CCSc2nnnn2C)c(C(F)(F)F)c1 58230122 HPPNGZPTCYQWSS-UHFFFAOYSA-N 374.392 2.416 0 40 FEAB CCS(=O)(=O)N(C)CCCNCc1c[nH]nc1-c1ccc(Cl)cc1 58264649 JXXLKUCESZJDGC-UHFFFAOYSA-N 370.906 2.491 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C1 58325328 OHWAMAVNTMJNLD-SFHVURJKSA-N 361.461 2.119 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(F)cc2)ccc1O 3271523 ONVDPFLLLVAVNZ-WEVVVXLNSA-N 359.353 2.413 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 12604581 IZCWQHMHXUQBIU-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccnc(-n2cccn2)c1 48289502 IKRSCAZQAKSXGN-FZKQIMNGSA-N 350.378 2.112 0 40 FEAB CCCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 8407000 NCGRBJGYDJVXMK-UHFFFAOYSA-N 360.845 2.335 0 40 FEAB COc1ccccc1NC(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N 3894940 AMBQALGSDOMMJH-UHFFFAOYSA-N 359.363 2.131 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)n2N)cc1 6100728 UOLHFXBTQVSMCZ-LBPRGKRZSA-N 361.471 2.018 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 4469353 LSLXEUOOUISDIQ-UHFFFAOYSA-N 351.353 2.404 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)nn12 14168623 VUQHCSRDLULCRA-UHFFFAOYSA-N 374.408 2.228 0 40 FEAB CC(C)(C)n1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 14158710 RWYMNFCWFIZPAO-CQSZACIVSA-N 361.471 2.120 0 40 FEAB O=C(NCc1cccnc1-n1cccn1)c1ccc(N2CCCC2=O)cc1 24642602 IQGRNWIGHODOTR-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB CCc1nn2c(C)c(C(=O)OCCOC)nnc2c1-c1ccc(OC)cc1 20797795 IYWPCQIXQNTSKB-UHFFFAOYSA-N 370.409 2.474 0 40 FEAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2 18149053 RSURMRTXGBZJNJ-GJZGRUSLSA-N 370.405 2.128 0 40 FEAB CCOC(=O)c1sc(NC(=O)N2CCOCC2)c(C(=O)OCC)c1C 6760738 RAWWMAVVXTUZRP-UHFFFAOYSA-N 370.427 2.274 0 40 FEAB O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1 66863168 DCJIDXPNZBTQOR-KRWDZBQOSA-N 367.449 2.012 0 40 FEAB CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1 15858558 LQCBMSZNDCINHK-UHFFFAOYSA-N 372.402 2.208 0 40 FEAB CN(C)C(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306139078 SOVPSHOFSGAZEP-IAGOWNOFSA-N 356.401 2.190 0 40 FEAB Cc1ccc(C)n1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 84191311 USDQFAXHPPDDQN-UHFFFAOYSA-N 358.394 2.448 0 40 FEAB CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)[C@H](CN)C1 97019729 WQPXVCLFCKDUSP-MRXNPFEDSA-N 350.422 2.210 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1 97124123 NROPACVLUOVRHT-LXXRFIIISA-N 353.447 2.313 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408595598 QWCQYPKULDVFKE-KBPBESRZSA-N 356.488 2.303 0 40 FEAB CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 95957012 NVRGGZAEVXFTMZ-ZBFHGGJFSA-N 357.497 2.202 0 40 FEAB Cc1[nH]nc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1C 408173914 FFIXZWDRZAJDEP-UHFFFAOYSA-N 352.438 2.468 0 40 FEAB Cn1cc2c(n1)N(C(=O)c1ccsc1)CC[C@H]2NC(=O)c1ccncc1 306127130 FPEIDBHIRFLBOD-OAHLLOKOSA-N 367.434 2.398 0 40 FEAB Cc1cc(O)ncc1C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 531581386 CQOIXTZYQAYCBT-UHFFFAOYSA-N 353.382 2.061 0 40 FEAB O=C(Nc1nnc(Cc2ccccc2)s1)C1(n2cnnn2)CCCCC1 72402286 UVFVLDSRRUKKLF-UHFFFAOYSA-N 369.454 2.414 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)CCc1ccccc1 71980311 TWYLMJYAIVHIDI-KRWDZBQOSA-N 360.454 2.133 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 30976439 DKHFBMRDUOHPSP-ACJLOTCBSA-N 355.394 2.085 0 40 FEAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(C)c2)c1 30336652 SELJLFXRQRBZFC-UHFFFAOYSA-N 351.424 2.370 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N1CCCC1=O 30849524 XKFJQIMBCYDVNO-UHFFFAOYSA-N 352.456 2.387 0 40 FEAB CCC1(c2ccccc2)CN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 566841124 DVDNDIOXZQINGQ-HNNXBMFYSA-N 350.484 2.184 0 40 FEAB COc1ccc(/C=C/C(=O)N2C(=O)CN(C)C(=O)c3ccccc32)cc1 40385945 OWGQQTOUPYXVMD-FMIVXFBMSA-N 350.374 2.354 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 48278366 FODOBFAOZUXPNC-OXQOHEQNSA-N 372.396 2.170 0 40 FEAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2ccc(C)cc2)s1 224617592 SQBZQPXDRKALNR-UHFFFAOYSA-N 373.481 2.054 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 45687938 DBRUCQFPHHEMCA-UHFFFAOYSA-N 352.354 2.021 0 40 FEAB COCCOCCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 48299441 ORICGEONIIYCDM-UHFFFAOYSA-N 359.341 2.176 0 40 FEAB Cc1nc(C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)cs1 225771826 KWOUMPVEIRTZRO-UHFFFAOYSA-N 365.842 2.256 0 40 FEAB O=C1c2nn(CCc3ccccc3)c(=O)n2CCN1Cc1cccc(F)c1 98213185 OVQBYVWDJOCFMM-UHFFFAOYSA-N 366.396 2.083 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21)Nc1cccnc1 96208210 PHVABDMWGMLSKR-FVQBIDKESA-N 358.467 2.404 0 40 FEAB O=C(NCCc1cccs1)[C@H]1CN(CC2CCOCC2)Cc2cncn21 247508111 SARGRHCRTWWMIG-GOSISDBHSA-N 374.510 2.087 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)N2C(=O)c2c[nH]c(O)n2)N1 257341804 ZMAXZVRMXMINAB-KBMXLJTQSA-N 354.410 2.130 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]23)cc1 257219047 DFKZPWUKVPKBJS-ZHALLVOQSA-N 352.438 2.045 0 40 FEAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)s1)C2 253381335 DJNKLLATQYIJST-CYBMUJFWSA-N 357.497 2.031 0 40 FEAB Cc1noc(C)c1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 252019492 XLHBGHROXXEMBV-KRWDZBQOSA-N 370.453 2.097 0 40 FEAB CC(=O)Nc1cc(CCC2CCN(C(=O)c3nccn3C)CC2)ccn1 257262307 LKXBIWKFOUJIMC-UHFFFAOYSA-N 355.442 2.259 0 40 FEAB COC[C@]1(C(N)=O)CCCN1Cc1coc(-c2c(F)cccc2F)n1 643823541 UPSWUNFCJHULCF-KRWDZBQOSA-N 351.353 2.086 0 40 FEAB O=C(Cc1ccn(-c2ccccc2)n1)Nc1cnn(C[C@@H]2CCCO2)c1 674919538 XZPBXFUYGSAVFR-SFHVURJKSA-N 351.410 2.429 0 40 FEAB COc1cc(C)c(S(=O)(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)cc1OC 680109163 VDIGGGMCBXNJEK-SJORKVTESA-N 355.456 2.248 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccccc1)OC 96385144 AMOTYTYCXBJDND-RDTXWAMCSA-N 356.422 2.376 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc3ccccc3n1)[C@H](C)C2 585097754 NVJUFOZSXILLRB-CYBMUJFWSA-N 351.410 2.060 0 40 FEAB CN(Cc1ccccn1)C(=O)C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 585095800 LUEXTHIQMQRLHC-GOSISDBHSA-N 367.453 2.010 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(Cl)cc3)C2)OC1 585104777 MFZIDJGPYOAGLI-OAHLLOKOSA-N 372.918 2.260 0 40 FEAB Cn1nc(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n(C2CC2)c1=O 77148932 QFIJCYWILCUIBA-UHFFFAOYSA-N 373.432 2.145 0 40 FEAB CN(Cc1ccccc1)C(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188725 LXWBAAFSBLKEOC-OAHLLOKOSA-N 373.478 2.004 0 40 FEAB CC(=O)N1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 13002225 WVDSBJBVJBWLII-UHFFFAOYSA-N 356.422 2.381 0 40 FEAB CCCc1nnc(SCC(=O)Nc2nc(C)cs2)n1CCOC 15935895 KSNZSSHRRRSTIA-UHFFFAOYSA-N 355.489 2.373 0 40 FEAB Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)n1 19237968 CBJFFKYUPHXGFA-KSSFIOAISA-N 368.485 2.017 0 40 FEAB O=C(NCCCO)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293671 ZZOUXGOBJSDUCH-MRXNPFEDSA-N 364.417 2.004 0 40 FEAB COc1cccc(-n2nnc(C(=O)N[C@@H](C)Cc3ccccn3)c2C)c1 19557739 LAEVKDGDGJZKHW-ZDUSSCGKSA-N 351.410 2.340 0 40 FEAB CO[C@H]1CN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)CC[C@@]12CCCO2 257228228 FSXPFPJUROKFTR-ICSRJNTNSA-N 372.469 2.090 0 40 FEAB CSc1nc(C)cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888875770 HVTAOTNLKNTWKU-GASCZTMLSA-N 368.462 2.128 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 1889208815 IKYMVKDHIIWFKW-GOSISDBHSA-N 374.510 2.258 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1166020131 KNXFWOGRNUZNMG-HOTGVXAUSA-N 370.478 2.111 0 40 FEAB CC(C)N1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@H]2C1 1565546373 ZJZZIPMELLKLCX-KBXCAEBGSA-N 368.424 2.301 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccccc3F)n12 4250305 YPTVOCUJSUMAQZ-UHFFFAOYSA-N 361.402 2.240 0 40 FEAB Cc1cc(C)cc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 8954745 CATRBPXWABVZGT-UHFFFAOYSA-N 373.434 2.099 0 40 FEAB Cc1c(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)cnn1C 2055734710 NIXGBLXZMHLICW-UHFFFAOYSA-N 373.476 2.403 0 40 FEAB CN([C@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)S(=O)(=O)C1CC1 2086861482 TUMBEFQIWXJDIH-LBPRGKRZSA-N 363.405 2.493 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](OCCO)c2cccs2)c(C)c1 575621720 RSEJJHLIEPOQCR-CQSZACIVSA-N 371.480 2.094 0 40 FEAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1C 13028014 NYTXBGCFUXAVIB-CQSZACIVSA-N 356.488 2.482 0 40 FEAB Cc1ccccc1N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 17073957 KJLODEQAYMHNBA-UHFFFAOYSA-N 358.423 2.042 0 40 FEAB COc1cc(OC)c(NC(=O)CSc2nc(N)cc(N)n2)cc1Cl 4748573 UJWJPGMMPKSGNN-UHFFFAOYSA-N 369.834 2.042 0 40 FEAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccc([N+](=O)[O-])c1 6962025 DHGVLBPPYGSXND-QPEQYQDCSA-N 353.338 2.104 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 32786898 AJBCGVMAMSTZBS-UHFFFAOYSA-N 365.361 2.100 0 40 FEAB CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102531482 PCTVPHUOMUFQJN-HVCLXXKLSA-N 354.406 2.219 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 32966616 HLFFCZNDFVVLPP-KRWDZBQOSA-N 368.389 2.394 0 40 FEAB O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1 28284044 BUYPLFRPFOWGBK-OLZOCXBDSA-N 372.443 2.111 0 40 FEAB c1nc(N2CCN(CCN3CCCC3)CC2)c2c3c(sc2n1)CCC3 22787295 ZMGSXLAVCUIHKA-UHFFFAOYSA-N 357.527 2.398 0 40 FEAB CCOC(=O)c1ccc(NC(=O)N2CCN(CCN3CCCC3)CC2)cc1 24980274 NAAZITYQHFLPKL-UHFFFAOYSA-N 374.485 2.109 0 40 FEAB O=C1COc2ccccc2N1CCC(=O)N1CCn2c1nc1ccccc12 12535578 DCTGGXBULJVOGO-UHFFFAOYSA-N 362.389 2.199 0 40 FEAB C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118929378 CQRHDJNAPDZBCN-DNCDSNMVSA-N 352.515 2.473 0 40 FEAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 44830187 PSQSXJDHADLZMQ-UHFFFAOYSA-N 354.428 2.056 0 40 FEAB Cc1ccccc1C[C@@H](C)NC(=O)c1cnn(-c2ccc(O)nn2)c1C 58213197 HEEVQXLJOHNTPR-CYBMUJFWSA-N 351.410 2.346 0 40 FEAB Cn1c(SCCNS(=O)(=O)c2ccccc2)nnc1-c1ccco1 48186726 FNXHYSPJSDGUEZ-UHFFFAOYSA-N 364.452 2.146 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC(=O)NC1CCCCC1 3350381 MLALBWOFZFADCW-NSHDSACASA-N 362.382 2.119 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc3ccccn23)C1 12793807 KMFIQYWHXVZEAV-YOEHRIQHSA-N 364.405 2.275 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(=O)c1ccc(Cl)cc1 12925437 OIAYSVFTQLQRBI-UHFFFAOYSA-N 374.824 2.500 0 40 FEAB Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1ccccc1)C(=O)O 71287703 UOXGFKVBOMRDKC-OAHLLOKOSA-N 358.442 2.198 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ncccc1C)C(F)(F)F 6208731 OFLUGIMRGYZOEL-AWEZNQCLSA-N 357.288 2.257 0 40 FEAB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2n1 5355751 GFSJZQCEMOJGOV-UHFFFAOYSA-N 369.402 2.499 0 40 FEAB O=c1c(Cl)c(N2CCOCC2)cnn1CCOc1ccc(Cl)cc1 14199437 XYNRIYBZGOXHMG-UHFFFAOYSA-N 370.236 2.466 0 40 FEAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14235887 JSGLZQDRZXPXHZ-OAHLLOKOSA-N 359.422 2.338 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)n2)nc1C 8734215 CAFDUJDPOPHMBN-UHFFFAOYSA-N 357.395 2.461 0 40 FEAB Cc1cc(Br)ccc1SCC(=O)NCC(=O)NC1CC1 6989559 VBZWYBYHVOJWHO-UHFFFAOYSA-N 357.273 2.244 0 40 FEAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1cnccn1 80329656 MUBPZLGFDOWNHV-UHFFFAOYSA-N 361.405 2.004 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 8993890 RFZCLRNPEZTNLU-UHFFFAOYSA-N 366.870 2.248 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F 8935379 SBDVWYBTMXXVMD-AWEZNQCLSA-N 367.402 2.222 0 40 FEAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCCCO 9451175 ULDWAYJWYUFZMD-UHFFFAOYSA-N 365.813 2.203 0 40 FEAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 9690097 MRYFDDUPMQZXDB-NSHDSACASA-N 351.255 2.235 0 40 FEAB CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CCS(=O)CC1 72297886 GHJDLRIIBSZPSK-XJBYLCIRSA-N 351.468 2.228 0 40 FEAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)c(-c2nnn[nH]2)c1 72306309 MVWGCQZHAUCTOP-UHFFFAOYSA-N 365.365 2.360 0 40 FEAB CC(C)(O)c1cn(C2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)nn1 95998149 GXKVVKAAGFZFOQ-UHFFFAOYSA-N 369.252 2.438 0 40 FEAB COc1ccc2c(c1)C=C(C(=O)N[C@H]1CCc3nnc(C(C)C)n3C1)CO2 95964750 DOHYZQDKLNFGOM-HNNXBMFYSA-N 368.437 2.317 0 40 FEAB COc1cccc(Oc2ccc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C)nc2)c1 517858072 CRMFZQUREKXWMK-BLLLJJGKSA-N 355.394 2.279 0 40 FEAB CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369827 VSSUKWKUEKJICH-UHFFFAOYSA-N 355.398 2.035 0 40 FEAB biogenic COc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1 72345413 SPMSJFZRHWEYKZ-KRWDZBQOSA-N 368.437 2.189 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1 62022040 GYFYUVLJJLAYLZ-UHFFFAOYSA-N 368.359 2.240 0 40 FEAB CCN(CC)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 72341151 WHUZAUXODDSYTD-SFHVURJKSA-N 367.453 2.240 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCC2(OC)Cc3ccccc3C2)cc1 225722390 RPBIBQWZJUBVHO-UHFFFAOYSA-N 368.433 2.324 0 40 FEAB CCOc1ccccc1CNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 44947713 YVBZJRWVOKJSKO-UHFFFAOYSA-N 363.435 2.492 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCOC2CCCC2)ccc1C 224895065 POSVCMPGZRISBY-UHFFFAOYSA-N 355.456 2.409 0 40 FEAB CCN1CCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C[C@H]1c1ncc[nH]1 569105271 FBFIODFUUNPBIQ-SFHVURJKSA-N 364.453 2.423 0 40 FEAB CCc1nnc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2OC)s1 223407262 MVYJRLYMCUATDA-LBPRGKRZSA-N 360.439 2.239 0 40 FEAB Cc1ccc(CN2CC[C@H]3OCC[C@@]3(COCC(=O)N(C)C)C2)s1 96110346 ZKDYDQWECKJRCZ-AEFFLSMTSA-N 352.500 2.142 0 40 FEAB COCCN(Cc1ccccc1F)C(=O)[C@H]1Cc2ccccc2C(=O)N1 97654077 NDZWNGPJOGIPOM-GOSISDBHSA-N 356.397 2.155 0 40 FEAB CC(C)CN1C[C@H]2CCN(C(=O)NC3CCCC3)CC[C@H]2S1(=O)=O 96263772 RDUMKEVUBXUKCQ-GDBMZVCRSA-N 357.520 2.021 0 40 FEAB C[C@@H](Cc1cccc(O)c1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 578006589 LKIFACGAPMGUKZ-KBXCAEBGSA-N 370.449 2.237 0 40 FEAB CCS(=O)(=O)N1CCC[C@@]2(CCCN2C(=O)CCc2ccccc2)C1 96214535 JJNOMTOALZLQQG-LJQANCHMSA-N 364.511 2.426 0 40 FEAB O=C(N[C@@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1)c1ccc2nsnc2c1 230150600 FKPMNAHJIRCYOG-BDJLRTHQSA-N 365.418 2.021 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106904 FNDMNHVADQBXDZ-QGZVFWFLSA-N 353.422 2.457 0 40 FEAB Cc1nc(CN2CCN(C)C3(CCN(Cc4ccoc4)CC3)C2=O)cs1 96050103 QTLFKWXGYFFZEJ-UHFFFAOYSA-N 374.510 2.353 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)CO)cc1 242687729 USVMYHLLOBQKDQ-GVDBMIGSSA-N 351.855 2.278 0 40 FEAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]21 247954926 MTZXWGSEDIMXGZ-ZTFGCOKTSA-N 364.873 2.288 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257268511 MMAJTVVIVIYQGD-SFHVURJKSA-N 355.438 2.299 0 40 FEAB CCCn1nccc1-c1cc(C)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257230067 GAQOUBYVDDTYFV-CQSZACIVSA-N 363.487 2.198 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257303208 SGFHZVTYLRTXCK-AWEZNQCLSA-N 367.446 2.390 0 40 FEAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257241397 HXXOZTDHUJPEOU-CQSZACIVSA-N 363.487 2.368 0 40 FEAB Cc1cc(C(=O)N2Cc3cccn3C[C@H](OCc3ccccn3)C2)on1 253600223 KLMRXMGHQKCUSW-KRWDZBQOSA-N 352.394 2.421 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 257276485 NTXOIYAPSHZCRA-GOSISDBHSA-N 353.422 2.122 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3cncnc3)CCO2)n1 257205815 BASBPJQCQAFJDT-QGZVFWFLSA-N 365.393 2.357 0 40 FEAB O=C([C@H]1CN(c2ccc(F)cc2)CCN1)N(Cc1ccccn1)C1CC1 257270692 MVGOZYNTRCMEQL-LJQANCHMSA-N 354.429 2.190 0 40 FEAB O=C(NC1CCN(C(=O)c2ccnc(C3CC3)n2)CC1)c1ccsc1 601654062 DEZREKCUPUDHJT-UHFFFAOYSA-N 356.451 2.450 0 40 FEAB Cc1cc([C@H](NC(=O)c2ccn(C3CCOCC3)n2)C(=O)O)ccc1F 630188206 GKTPZFDYTBGXBN-INIZCTEOSA-N 361.373 2.238 0 40 FEAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)N[C@@H]1CCc2c[nH]nc2C1 664414768 UVHBKJGHCMRQFR-GOSISDBHSA-N 362.437 2.327 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 676457168 VGSMKCSYOTZJMQ-CEXWTWQISA-N 370.474 2.395 0 40 FEAB O=C(O)C[C@H](NS(=O)(=O)c1cccc2c1OCCO2)c1cccs1 681558076 OUVDYSSDVUADLW-JTQLQIEISA-N 369.420 2.014 0 40 FEAB CN1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CCC12CCOCC2 1615589720 REFIDYAFVOWGIR-UHFFFAOYSA-N 372.444 2.338 0 40 FEAB O=C(c1cnc2ccccn12)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 575403566 HARYYDGQNKFCCL-MRXNPFEDSA-N 374.404 2.202 0 40 FEAB CCCNC(=O)C1=NO[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101218 OMXQSVZKHQPQFI-HNNXBMFYSA-N 371.363 2.137 0 40 FEAB O=C(CC1(O)CCCCC1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585278000 ZLZWFUUVCQFMQL-IBGZPJMESA-N 351.418 2.253 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cccc(Cl)c2Cl)C1 685941407 WIBKOJDQYBMKRZ-KWQFWETISA-N 359.209 2.045 0 40 FEAB CCOC(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(-c3ccccc3)cc2)s1 105739514 QUXPZBRMFHBUFY-MZGHLJKDSA-N 351.427 2.276 0 40 FEAB CN1CC2(CCC(C(=O)N[C@@H]3CCCOC3)CC2)Oc2ccccc2C1=O 12086835 YICWWQLLZKSKBC-ZGOJQLDESA-N 372.465 2.375 0 40 FEAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)on1 12251942 ALQDVWLQJSFOMW-LLVKDONJSA-N 374.426 2.142 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 12255803 PCBYXTNVRVENTB-AWEZNQCLSA-N 363.421 2.087 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)c4ccc(C)s4)C3)ncc2C1 19216856 CUCKHGOSXLNIKP-CQSZACIVSA-N 370.478 2.381 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)c2nccnc21 19289349 YNHSELZBRPLWLX-AWEZNQCLSA-N 351.410 2.148 0 40 FEAB COc1cccc(CN2CC[C@@H](c3nn(CCN)c4ncccc34)C2)c1 19564744 VOTQSAGCNXATDQ-MRXNPFEDSA-N 351.454 2.388 0 40 FEAB CN(C)c1ncc(-c2cncnc2)c([C@H]2CN(CC(C)(C)C)CCO2)n1 19694973 RMRCQYFUHYQQQP-MRXNPFEDSA-N 356.474 2.419 0 40 FEAB O=C(CSC1CCCC1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206693557 UBQLUMWMPSDPTN-HNNXBMFYSA-N 357.497 2.471 0 40 FEAB CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1Cl 548076077 UJCBWBWAWQWSIC-HNNXBMFYSA-N 362.865 2.166 0 40 FEAB Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 668963838 LDSUBBYECHZPSW-NVXWUHKLSA-N 357.458 2.028 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218816 SXJYYCDYRBYVQJ-VOJFVSQTSA-N 365.380 2.133 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5467090 VACHEKKMUPRXNP-UHFFFAOYSA-N 374.890 2.279 0 40 FEAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]ccc34)CC2)c1F 1888897424 VUFCFQIOUCLZJP-UHFFFAOYSA-N 353.405 2.399 0 40 FEAB CC(C)N1C(=O)C[C@H]2[C@H](CNC(=O)CC(C)(C)CC(=O)O)[C@@H](C)C[C@H]21 1775964468 YYLDHCDSHUINFQ-BYNSBNAKSA-N 352.475 2.275 0 40 FEAB biogenic,in-vitro COc1ccc(-c2ncnc(N3CCN(C(=O)C4CC4)CC3)c2F)cc1 1776008740 OKFWUPAARQVOKV-UHFFFAOYSA-N 356.401 2.350 0 40 FEAB Cc1nc2ccccc2n1C1CN(C2=NS(=O)(=O)c3ccccc32)C1 2087079661 SIPXOLAXMAFYLN-UHFFFAOYSA-N 352.419 2.351 0 40 FEAB Cc1cccc(F)c1C(=O)N1CCC[C@@]2(CCN(CCN(C)C)C2=O)C1 1565546665 CDIZBFGKXGUEEG-HXUWFJFHSA-N 361.461 2.150 0 40 FEAB CCNC(=O)c1cc2c(CNC(=O)c3csc(C)n3)nn(C)c2s1 1565554073 JEAQNEQLTFRMPL-UHFFFAOYSA-N 363.468 2.079 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O 4370358 AISXPSLGMRXXJN-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(F)cc3)cc21 5252400 WEWSLBNCNFVWAI-UHFFFAOYSA-N 369.396 2.380 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4278902 RBFZONRYEOTPMK-GIPNMCIBSA-N 368.258 2.098 0 40 FEAB Cc1ccc(-n2nc(C)cc2NC(=O)CCCN2C(=O)CCC2=O)cc1 40115050 NCQRSDCKXNTGHN-UHFFFAOYSA-N 354.410 2.357 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 40145391 WXKYUYFUILVZJS-CYBMUJFWSA-N 356.426 2.441 0 40 FEAB COc1ccc(NC(=O)c2sccc2NS(C)(=O)=O)cc1OC 40135199 DVTWCPWXVPWJHB-UHFFFAOYSA-N 356.425 2.389 0 40 FEAB CCOc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1OCC 932027 DXMXDXBYZBQAPT-UHFFFAOYSA-N 359.430 2.196 0 40 FEAB C[C@]1(NC(=O)CCc2ccccc2Br)CCS(=O)(=O)C1 50906948 WIFMZNHMJZSDKK-AWEZNQCLSA-N 360.273 2.075 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 29199322 IJPGKYPMUUYIIO-OAHLLOKOSA-N 370.902 2.302 0 40 FEAB O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101361097 KXJMSGDMBNHJMB-GDBMZVCRSA-N 370.748 2.361 0 40 FEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)c1 7881861 KEHDJEYKFYWACB-CYBMUJFWSA-N 354.362 2.385 0 40 FEAB O=C(CN1CCN(c2cnc3ccccc3n2)CC1)N1CCc2ccccc21 52357503 QADQQDQGFRABMK-UHFFFAOYSA-N 373.460 2.341 0 40 FEAB Cc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cn1 46229982 FLWCKFOMACBEEG-UHFFFAOYSA-N 361.467 2.047 0 40 FEAB CC(=O)Nc1cccc(OC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 32739231 PLFLXMWNGQAPPV-UHFFFAOYSA-N 374.418 2.186 0 40 FEAB O=C(OCc1nnc(-c2cccs2)o1)c1cccc(-n2cnnn2)c1 32708027 NAUHGZFHXXXLGB-UHFFFAOYSA-N 354.351 2.131 0 40 FEAB C[C@@]12[C@@H](O)O[C@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@H]1[C@H]3[C@@H]2[C@@H]2CC[C@H]5O[C@H](O)[C@](C)([C@@H]3[C@@H]25)[C@@H]14 104294661 RUNWBLQMNLXFAN-SEUCBSFBSA-N 358.478 2.237 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2)cc1Cl 102015260 JGRCKUHDLGBJIH-ZQDZILKHSA-N 357.797 2.252 0 40 FEAB COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 53050215 JRSLARDFVUZKAD-UHFFFAOYSA-N 365.433 2.113 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC(Cc2ccccc2)CC1 103066259 AEHCDOSRWMLSRQ-KDURUIRLSA-N 366.461 2.419 0 40 FEAB CCN(CC)Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)o1 42481079 KPMNEICLSRLTOF-UHFFFAOYSA-N 372.469 2.283 0 40 FEAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1OC 1172867 BYCREGJBSFYVBI-MDWZMJQESA-N 351.380 2.303 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 105928905 KOYDMSFKNYFJQO-HTUGSXCWSA-N 356.513 2.487 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3occc3C)CC2)c(OC)c1 56026959 QMXRSFPQGLFFEX-UHFFFAOYSA-N 358.394 2.203 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 43730386 OJJVXOQKRGGSGH-NWZZKEMCSA-N 369.465 2.172 0 40 FEAB COc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc(OC)c1OC 25970297 XCYLNQPYAKKRNX-LBPRGKRZSA-N 374.393 2.293 0 40 FEAB Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)[nH]c(=O)c2[nH]1 57521161 WRFYQNFIJFWHBP-ZDUSSCGKSA-N 354.435 2.455 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl 3249387 XLXBWDNLKYASNO-UHFFFAOYSA-N 351.790 2.152 0 40 FEAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2103728 WBEYFWVIYMHLEU-NWDGAFQWSA-N 361.394 2.411 0 40 FEAB biogenic O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)O[C@H]1CCOC1=O 3316841 KEASVTSHTMAQQC-INIZCTEOSA-N 355.346 2.067 0 40 FEAB O=C(CSCc1ccccn1)NC1CCN(C(=O)c2ccncc2)CC1 58314450 FXFIRJLSGFXKMZ-UHFFFAOYSA-N 370.478 2.131 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]1 10459418 RBJRGOZZBNVQKK-CQSZACIVSA-N 363.458 2.255 0 40 FEAB CS(=O)(=O)Cc1nc2ccccc2n1C[C@H](O)COCc1ccccc1 12744117 DEAFUZGZBJHFEZ-INIZCTEOSA-N 374.462 2.159 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)cc1Cl 408598153 XLXITERLJXSQSB-QWRGUYRKSA-N 362.879 2.320 0 40 FEAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 12870992 HYXYEZKCUOACJH-ZDUSSCGKSA-N 353.382 2.467 0 40 FEAB COc1ccccc1-n1cnnc1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 6082138 WBOVJMHQWUVBMS-STQMWFEESA-N 362.455 2.004 0 40 FEAB CC(C)C[C@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 6358136 QVQNBLAJWDIELP-MRXNPFEDSA-N 368.389 2.452 0 40 FEAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCOCC1 14085827 GPBKSINNWJKCFU-CYBMUJFWSA-N 358.467 2.484 0 40 FEAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n[nH]c1=O 6482227 SXHXWGCSZQCVMH-SNVBAGLBSA-N 363.443 2.059 0 40 FEAB COc1cccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nnn[nH]2)c1 4673546 BRHOTLDDCAKUIG-HNNXBMFYSA-N 353.382 2.182 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 6623293 CABRFXBJJBAZSZ-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB O=C(COc1cccc2ccccc12)Nc1cccc2c(=O)[nH][nH]c(=O)c12 6694789 LBLWFLVNDCBTJR-UHFFFAOYSA-N 361.357 2.387 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)c1 4906364 DWPGAIGYRFXDGE-UHFFFAOYSA-N 351.380 2.430 0 40 FEAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2ccnc2)cc1 9378123 HEQXBHCRHJZFOI-AWEZNQCLSA-N 359.393 2.339 0 40 FEAB O=C(O)CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)ccc2=O)C1 95992034 MDGCHVMJFCZDRM-ZDUSSCGKSA-N 373.384 2.089 0 40 FEAB CCN1CCN(c2ccccc2CNCC(C)(C)N2CCOCC2)CC1 88669437 PYAMFBPPAXNYAA-UHFFFAOYSA-N 360.546 2.029 0 40 FEAB COCCCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408702211 ACBHMLBRMSXXIF-UHFFFAOYSA-N 362.451 2.281 0 40 FEAB CCn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O 1553793701 FCOYHNIEQQOEIW-YJBOKZPZSA-N 352.394 2.005 0 40 FEAB Cc1nccn1-c1cncc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)n1 509481166 VEXKDUKUIPGPEI-HNNXBMFYSA-N 366.425 2.210 0 40 FEAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4cnccn4)CC3)c2c1 36743661 LPFIOPFBDUQAQA-UHFFFAOYSA-N 365.437 2.280 0 40 FEAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)[C@H]1c1cccs1 71195879 OHDSCTPUHQZEOS-PPHDSNJXSA-N 358.467 2.195 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2C1=O 32860025 PBDBPNATPWUXLZ-UHFFFAOYSA-N 374.400 2.087 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(CCc2ccccn2)CC1 32594204 CLXVJKZZPQZWNN-UHFFFAOYSA-N 363.417 2.189 0 40 FEAB CNC(=O)C1CCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 31027698 FYCAFGFAQGNWRZ-UHFFFAOYSA-N 359.348 2.253 0 40 FEAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c(OC)c1 39998520 OURJPACNXANNGQ-HNNXBMFYSA-N 350.440 2.448 0 40 FEAB O=C(NCCCc1cnc2ncnn2c1)c1ccc(OC(F)(F)F)cc1 225643133 CYMTWRPUEGVHEH-UHFFFAOYSA-N 365.315 2.386 0 40 FEAB CN(C)S(=O)(=O)c1cc(Br)c2c3c(cccc13)C(=O)N2 226863170 VNJGQRLOSZNOLY-UHFFFAOYSA-N 355.213 2.418 0 40 FEAB Cc1cccc(NC(=O)CN2CC(c3nc(-c4ncccn4)no3)C2)c1C 49483095 UIOYFILNDNMMJZ-UHFFFAOYSA-N 364.409 2.181 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 44388891 ZXJHYWDRXMJZHE-KBXCAEBGSA-N 364.511 2.414 0 40 FEAB Cc1ccccc1N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O 224986707 FHFQUEFLZKPGOS-UHFFFAOYSA-N 370.515 2.473 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCOc3ccccc32)c1 225928226 QNOUBAHVCOOSIK-UHFFFAOYSA-N 374.462 2.350 0 40 FEAB CCc1cnc(N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)nc1 96062944 SJVHBIAKEWCXDO-UHFFFAOYSA-N 351.454 2.453 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(CC3CCOCC3)CC[C@@H]12)Nc1cccnc1 96208401 XXZSPGAFCCFOMI-QRQLOZEOSA-N 359.470 2.174 0 40 FEAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3coc(C4CCC4)n3)C2)nn1 583618949 LPZJOWOCBFHRTD-GOSISDBHSA-N 359.430 2.238 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2cn(C(C)C)nc2C)C1 583617639 UXCADPKEACPHKJ-CVEARBPZSA-N 355.446 2.172 0 40 FEAB CNc1cccc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257285757 PIQXCGGPIDZKRR-KRWDZBQOSA-N 352.442 2.356 0 40 FEAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc1 257277289 NXFRQODQGFJZIK-OAHLLOKOSA-N 364.471 2.339 0 40 FEAB CCN1CCN(c2cccc(NC(=O)c3nc[nH]c4nccc3-4)c2)CC1 613603379 QDSPBASNYDOREL-UHFFFAOYSA-N 350.426 2.304 0 40 FEAB CCc1cc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)ccc1C 626384760 FPLREQJKNNTTFG-ROUUACIJSA-N 370.453 2.218 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)/C=C/c3ccccc3)C2)cc1 96121874 GPZVLVQMGAGAOJ-KPKJPENVSA-N 357.431 2.393 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108784 FEHXWEIHKLPVSQ-JYJNAYRXSA-N 352.381 2.402 0 40 FEAB O=C(NCCc1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104372 HUNMUBKALCEJDL-UHFFFAOYSA-N 350.484 2.370 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158522 NJMBOAGSJHRDJG-FQEVSTJZSA-N 369.396 2.259 0 40 FEAB COCC(=O)N1CCC[C@@H]2NC(=O)c3ccccc3OCCCCC[C@@H]21 1615525398 HCLZCQOAKZJCIL-IRXDYDNUSA-N 360.454 2.375 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 5265583 YYUWCQAXXGEKBB-AWEZNQCLSA-N 350.422 2.418 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 12085427 JTHAFZWQKJSCEL-FQEVSTJZSA-N 357.454 2.366 0 40 FEAB CN1CC2(CCC(C(=O)N[C@H]3CCCOC3)CC2)Oc2ccccc2C1=O 12086836 YICWWQLLZKSKBC-TZQQIIETSA-N 372.465 2.375 0 40 FEAB Cc1ccn(CCCNC(=O)c2cn([C@@H](C)c3ccc(F)cc3)nn2)n1 12113288 CRHQKIQOQBEYNT-AWEZNQCLSA-N 356.405 2.352 0 40 FEAB Cc1csc2ncc(C(=O)N3CCc4ncc(Cl)cc4C3)c(=O)n12 12186663 UQSBJHQVZLNXOX-UHFFFAOYSA-N 360.826 2.311 0 40 FEAB CN1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 19589792 YOAJJZSUBPRRHO-UHFFFAOYSA-N 372.494 2.034 0 40 FEAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cc(OC)ccc3OC)C2)n1 19594305 KUAWKAVUYYMLAD-CQSZACIVSA-N 373.453 2.313 0 40 FEAB O=C(CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)N1CCCC1 19748461 BXGNMYNMPKOHII-UHFFFAOYSA-N 357.502 2.301 0 40 FEAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(F)c2F)[C@H](CC(N)=O)O1 643585911 BPGXMMRRAHTFSG-SCLBCKFNSA-N 352.381 2.383 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 15471825 ZAOQYXVLDBUVPT-CYBMUJFWSA-N 362.451 2.437 0 40 FEAB Cc1nc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)co1 1888922135 HFKXLTPDLKVIQJ-UHFFFAOYSA-N 374.466 2.028 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4ccc(F)cc34)C[C@@H]2C(=O)N1c1ccccc1 1888930485 VWAFHTQBCQRCPS-IYBDPMFKSA-N 362.364 2.395 0 40 FEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 2037908947 IBZIINIUVALJLY-HXUWFJFHSA-N 357.454 2.439 0 40 FEAB COc1ccc(-c2coc3cc(OC(=O)COCCO)ccc3c2=O)cc1 2060990671 VWINUWLVGCCSFF-UHFFFAOYSA-N 370.357 2.383 0 40 FEAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3c2CCC3)cc1 9203530 ARPPTUSOQGIXQD-UHFFFAOYSA-N 372.450 2.001 0 40 FEAB Cc1ccc(CNC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127373 LCGXCGNMOXHYGX-UHFFFAOYSA-N 357.498 2.382 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)CCc4ccccc4F)C[C@@H]3C2)ncn1 1889314305 IFTNJGKTSMEKMD-IRXDYDNUSA-N 354.429 2.452 0 40 FEAB CCOC(=O)CCC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035298 CHHHPSIGAGTBMY-UHFFFAOYSA-N 360.332 2.189 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)CC(C)C)C2)cc1 585146904 GTJJXTULPJQEOQ-INIZCTEOSA-N 367.467 2.149 0 40 FEAB O=C1NC2(CCCCC2)C(=O)N1Cc1cn(Cc2ccccc2F)nn1 2298050220 CMGKDKWEHPWTPG-UHFFFAOYSA-N 357.389 2.220 0 40 FEAB O=C(NCCN1CCN(c2ccccc2)CC1)C1=Cc2ccccc2OC1 31539043 ZCFMAIGFDTYHBB-UHFFFAOYSA-N 363.461 2.401 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 40104268 YDZJYPSHXQZAFG-AWEZNQCLSA-N 359.426 2.386 0 40 FEAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1cc(F)ccc1F 59020671 VEHHNMZLDQKJFG-UHFFFAOYSA-N 373.363 2.295 0 40 FEAB Cc1cc(COC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)no1 36648442 BPGCGPQCIZEZDV-SNVBAGLBSA-N 350.396 2.051 0 40 FEAB Cc1ccn(CCCNC(=O)c2cn([C@H](C)c3ccccc3F)nn2)n1 4504583 FBZSKHKWAFYBCO-CQSZACIVSA-N 356.405 2.352 0 40 FEAB CCN1C(=O)N/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 6950772 PWGBISUDLVQRRU-POHAHGRESA-N 355.188 2.379 0 40 FEAB CCc1ccccc1NC(=O)CN(C)Cc1cc(=O)n2ccccc2n1 15418637 JAYPEYOZTDDYLT-UHFFFAOYSA-N 350.422 2.327 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)cc1 8474652 IKACLXIUGBTJEC-UHFFFAOYSA-N 362.411 2.056 0 40 FEAB CC(=O)Nc1ccc(N[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 102248091 YQZXPWBWJLVVRS-SFHVURJKSA-N 351.406 2.427 0 40 FEAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 7195270 HKLJPPBGWKPYCU-KKSFZXQISA-N 366.417 2.128 0 40 FEAB CN(C(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(S(C)(=O)=O)cc1 67656483 KAGPEHULXBZVGJ-UHFFFAOYSA-N 356.403 2.208 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 663866 CTBDWPGVCBSKGH-UHFFFAOYSA-N 361.261 2.059 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 109036638 QDBCSVHQDFLMTQ-UKRRQHHQSA-N 357.462 2.213 0 40 FEAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 54530114 HWAQXERVJCJCGX-UHFFFAOYSA-N 371.412 2.373 0 40 FEAB C[C@@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 103119201 KHGBNZFTJCISQK-KBUPBQIOSA-N 372.421 2.079 0 40 FEAB Cc1cc(=O)c(C(=O)N(C)Cc2cnn(C)c2)nn1-c1ccc(Cl)cc1 25047500 DIWXLGHOBGRRAI-UHFFFAOYSA-N 371.828 2.200 0 40 FEAB O=C(CCn1cc(Br)cn1)Nc1ccc2c(c1)OCCO2 28233915 DBFJDBHGNGFMFS-UHFFFAOYSA-N 352.188 2.446 0 40 FEAB CCN(CC(=O)NCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 34886242 LTRARKBZIIQTQX-UHFFFAOYSA-N 350.422 2.061 0 40 FEAB CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)CCS1 106920899 UVPAALIPRJUGQY-HIFRSBDPSA-N 370.540 2.491 0 40 FEAB CC(C)C[C@@H](C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O 3254285 KJLGDAOABODLMT-KRWDZBQOSA-N 351.406 2.409 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 3208321 LPAJLXOUUPHYBD-ZDUSSCGKSA-N 356.513 2.407 0 40 FEAB N=C1c2ccccc2CN1c1ccc(S(=O)(=O)N2CCOCC2)cc1 3260171 DZMKKOPQDZPNPD-UHFFFAOYSA-N 357.435 2.053 0 40 FEAB CC(C)(C)NC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10086408 MJRGCBJSVHLBFC-UHFFFAOYSA-N 358.417 2.145 0 40 FEAB CS(=O)(=O)CCN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 58192606 LWJLAYPNJQSTCS-QGZVFWFLSA-N 372.446 2.237 0 40 FEAB CC(C)COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 3333707 VVQNXVKZBTVVPT-UHFFFAOYSA-N 362.451 2.299 0 40 FEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC[C@@H]2CCCO2)CC1=O 58404939 FSKJDMDDAMANRP-OCCSQVGLSA-N 366.845 2.387 0 40 FEAB COc1cc(C(=O)N2CCC[C@H](C)CC2)cc(Cl)c1OCC(N)=O 58424864 URGOZHUHZYJTFX-NSHDSACASA-N 354.834 2.475 0 40 FEAB O=C1CCc2cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)ccc2N1 12790159 SDVUECLJYMMJQS-UHFFFAOYSA-N 369.421 2.399 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)noc2N)c1C 12739497 MAAONIGWHAGJBV-JTQLQIEISA-N 363.370 2.115 0 40 FEAB O=C(CCNC(=O)Cc1ccccc1)NCc1cnn(-c2ccccc2)c1 12745268 NKRBDZDPKLVDRA-UHFFFAOYSA-N 362.433 2.238 0 40 FEAB CC(=O)N[C@@H](CC(=O)NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 48272408 BVPHKZLONFEOPZ-KRWDZBQOSA-N 365.861 2.034 0 40 FEAB COc1ccc(CNC(=O)CSc2nnc(C)n2C2CC2)cc1OC 7617448 MHJGVRGMTUUJEK-UHFFFAOYSA-N 362.455 2.347 0 40 FEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cc1 80827175 WJCRFYWMPFMWES-UHFFFAOYSA-N 352.500 2.295 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1ccccc1)c1cccs1 12910803 LIKZWOHMWHDDHF-PBHICJAKSA-N 369.446 2.380 0 40 FEAB O=C(O)C[C@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)O 3534501 ZHNSKKAECWOWAJ-VIFPVBQESA-N 362.201 2.049 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2ccc(C)c(C)c2)nc(=O)[nH]c1C 13637950 XDNHHERSAQRCEY-UHFFFAOYSA-N 361.423 2.213 0 40 FEAB Cc1ccc(NC(=O)COCC(=O)N2CCN(c3ccccc3)CC2)cc1 13943778 QPQHWSNYKAOWCF-UHFFFAOYSA-N 367.449 2.299 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)[C@@H]1C 6649270 YYWJXXIGAWLFNH-LALPHHSUSA-N 357.410 2.021 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 6917597 VSVPQHQLZKJCKQ-UHFFFAOYSA-N 353.382 2.084 0 40 FEAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15197562 FPEUVNFOLHXIOR-ZDUSSCGKSA-N 363.435 2.355 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 8724596 GYROGGDMFIPNRQ-HNNXBMFYSA-N 363.439 2.392 0 40 FEAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)N1CCOCC1 8735100 QFQIAZWMBSDCDB-LBPRGKRZSA-N 359.451 2.071 0 40 FEAB O=C(Nc1ccc(F)cc1Br)N[C@H]1CCN(C2CC2)C1=O 89768443 ZWGDVEXGTRUXGE-LBPRGKRZSA-N 356.195 2.473 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)c(Br)c1 9376223 ULALWTWUVPMQLU-CYBMUJFWSA-N 368.231 2.272 0 40 FEAB COc1cccc([C@@H](Nc2ccccn2)c2oc(CO)cc(=O)c2O)c1 19880803 MAHWFBIBHDZFCZ-QGZVFWFLSA-N 354.362 2.443 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)NCC[C@@H](O)C(F)(F)F)C(C)C)cc1 72288851 MXVFVAQVVWHHLK-KGLIPLIRSA-N 360.376 2.179 0 40 FEAB COCCn1cc(CC(=O)NCc2c(C)nn(C)c2C)c2ccccc21 79479758 CMBLVAVKZRLAHK-UHFFFAOYSA-N 354.454 2.497 0 40 FEAB O=C(Nc1ccsc1C(=O)NCCc1cccnc1)c1cnccn1 67335636 RGACKZNWEALEAJ-UHFFFAOYSA-N 353.407 2.158 0 40 FEAB COc1ccc(N2Cc3nn(Cc4ccccc4C)c(=O)n3C2=O)cc1 1547201153 MPNKQIRNDPHQKH-UHFFFAOYSA-N 350.378 2.398 0 40 FEAB O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cncc(Br)c1 408504676 XPXNRYGCOZNANW-VDDIYKPWSA-N 359.245 2.092 0 40 FEAB NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3ccnn3)cc2)c1 1521030475 LLTYZBIQGDFPPY-UHFFFAOYSA-N 355.785 2.331 0 40 FEAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(-n2cccc2)cc1 1521869275 DZGSZNJXIPNNHQ-FQEVSTJZSA-N 361.445 2.493 0 40 FEAB CC(C)N1[C@@H]2CN(Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O 306134919 OBPMUUIFUQFPIK-SJORKVTESA-N 373.478 2.126 0 40 FEAB Cc1cc2ncn(CCc3noc(CCN4CCOCC4)n3)c2cc1C 76555354 PJPBAFWMGYQADL-UHFFFAOYSA-N 355.442 2.154 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218392045 VPXGMBYPRHJZLA-CVEARBPZSA-N 352.839 2.251 0 40 FEAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 35312089 BEDWEGGKMQNMPK-UHFFFAOYSA-N 360.483 2.275 0 40 FEAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NCc2ccco2)c1 217495101 CLNJBQGQAUQKHM-UHFFFAOYSA-N 364.423 2.447 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2c(c1)OCCO2 79481569 HRUNEVOYYFNPCM-UHFFFAOYSA-N 357.414 2.424 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccccc1Cl 224969942 FBLPEDLNBHJIPZ-UHFFFAOYSA-N 356.831 2.011 0 40 FEAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(F)c1 225105256 MEATWCZEQYXSDW-UHFFFAOYSA-N 371.361 2.342 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOCc2ccccc2)ccc1C 225146675 MRQGJVWLAONZRT-UHFFFAOYSA-N 363.435 2.277 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCC1 225672621 GJPAJSHNXSLICJ-CYBMUJFWSA-N 354.472 2.299 0 40 FEAB Cn1cc(CN2CCC3(CC2)CO[C@@H](COCc2ccccn2)C3)cn1 96209782 PTMNSILBHOVPOA-LJQANCHMSA-N 356.470 2.403 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@H](C2CCOCC2)C1 579721714 BMONNEOLOQLPMS-KSSFIOAISA-N 360.454 2.138 0 40 FEAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc([C@H]2CCCO2)n[nH]1 95474362 PQYCUCFQLGQLRN-GFCCVEGCSA-N 354.370 2.278 0 40 FEAB CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccnc2)[C@@H](C(=O)O)C1 248016322 DBLZPJOSUOOSKB-QZTJIDSGSA-N 353.422 2.271 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2ccnn21 247981437 XTVSDIKIQSBPJN-HNNXBMFYSA-N 368.462 2.360 0 40 FEAB Cc1cccc(COC[C@@H]2CCOC23CN(C(=O)c2cc(C)on2)C3)n1 247870971 LALHICBAEAATAD-HNNXBMFYSA-N 357.410 2.134 0 40 FEAB COc1cc(CCC(=O)N2CCC(c3ccnc4ccnn34)CC2)on1 257303984 SJPDVBLYFFFWES-UHFFFAOYSA-N 355.398 2.065 0 40 FEAB Cc1noc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)n1 257291995 QJNFFIXJNGSXQP-UHFFFAOYSA-N 351.410 2.432 0 40 FEAB CNC(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cn1 590704605 SXHMNJXCWFIGAQ-UHFFFAOYSA-N 363.421 2.337 0 40 FEAB Cc1ccc(CNC(=O)Cn2nc(C)c([C@H]3CCCC(=O)N3)c2C)cc1 664097855 YGEWHVBDYWBNDP-QGZVFWFLSA-N 354.454 2.466 0 40 FEAB CC1(C)[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)[C@@H]1c1ccccc1 606444809 BEALESWEGLWEBD-PVAVHDDUSA-N 361.467 2.315 0 40 FEAB O=C(c1csc2c1CCCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 55103738 LXCMIIKUQWDGEI-CQSZACIVSA-N 362.495 2.338 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cc2ccccc2[nH]c1=O 47048931 MOCBBNLTEYVJPR-MRXNPFEDSA-N 364.401 2.369 0 40 FEAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccccc2OCC(F)(F)F)C1 92843684 JUMMXIKPXNDIBD-ZDUSSCGKSA-N 366.405 2.141 0 40 FEAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc(C)on2)cc1 5034114 BWVYNKNXCPWYNB-NSHDSACASA-N 374.426 2.477 0 40 FEAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)C1CCOCC1)c1ccccc1O2 12086469 JFZPKMGHEOMHDB-UWJYYQICSA-N 372.465 2.434 0 40 FEAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)n1 12231202 SXOPPAXEBRGDEX-LRDDRELGSA-N 352.438 2.426 0 40 FEAB COc1ccc(-c2nnc3s/c(=C/c4cccs4)c(=O)n23)cc1OC 13547413 GGGMEVCXMFCKGC-NTEUORMPSA-N 371.443 2.444 0 40 FEAB COc1cccc([C@H]2NC(=O)N3[C@H](c4cccc(OC)c4)NC(=O)N23)c1 17004195 DPDPGHYGYVIKDZ-IYBDPMFKSA-N 354.366 2.367 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 17916703 ZOGRKOWIHARIQN-NSHDSACASA-N 366.414 2.233 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)c1cccs1)C2 19017171 NTQXRVGJCZKFLA-CQSZACIVSA-N 372.450 2.126 0 40 FEAB COc1ccc(C(=O)NCc2cc3n(n2)CCCO3)cc1OC(F)F 556942210 PGKDGTPLBVIADU-UHFFFAOYSA-N 353.325 2.206 0 40 FEAB COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(OC)=C1c1ccc(O)cc1 31156927 DYMYDSWEIIXYNX-HXUWFJFHSA-N 370.357 2.167 0 40 FEAB biogenic,in-vitro COc1ccccc1CNC(=O)[C@@H](C)n1nc(C(F)(F)F)ccc1=O 1888913489 IZRCTIZQPCQCRA-SNVBAGLBSA-N 355.316 2.148 0 40 FEAB O=C([C@@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1)N1CCSCC1 1889139147 KHUQSQXTRODTKI-AWEZNQCLSA-N 367.858 2.262 0 40 FEAB O=C(COc1ccccc1F)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 1848356984 AQEXOVCJCYCBBK-SQWLQELKSA-N 356.401 2.344 0 40 FEAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)C4CC(C)C4)CC[C@@H]3C2)nc1 1565554166 LGMCERFGKZCMEZ-XYQBIQKZSA-N 358.486 2.139 0 40 FEAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccc(F)c(F)c1 11746378 SCOAIFJMFJUZHE-UHFFFAOYSA-N 370.359 2.404 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)C4CC4)C3)C2)cc1 2055835054 UCSPGDCVOKZQHX-LJQANCHMSA-N 357.410 2.181 0 40 FEAB Fc1cccnc1N1C[C@@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 2086860440 URRVZEPNUOZPSB-GHMZBOCLSA-N 364.222 2.346 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2Br)CC1 2086868833 QCROPXCHXWWEEG-CQSZACIVSA-N 368.319 2.480 0 40 FEAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@H](Oc2cnsn2)C1 618257086 QBRURZGBTMLTJU-ZDUSSCGKSA-N 373.413 2.371 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc23)cc1 13578853 OSHMGHOZNIJFBF-VIFPVBQESA-N 356.411 2.431 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)N1CCCc2ccc(F)cc21 40117286 LAORTRSEGZMVBW-UHFFFAOYSA-N 352.369 2.300 0 40 FEAB CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N(C)C 40105658 NUHUKEMUHWUBRO-LBPRGKRZSA-N 350.843 2.260 0 40 FEAB CCNC(=O)CN1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 40121027 PHMFVAFEVMFSCK-UHFFFAOYSA-N 372.296 2.206 0 40 FEAB CCONC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 30603980 FRTDNEBKTGTWFJ-UHFFFAOYSA-N 366.464 2.176 0 40 FEAB C[C@@]1(C(=O)OCC(=O)NC(=O)NC2CCCCC2)CC1(Cl)Cl 3517317 RWMMYMROJUBHEK-ZDUSSCGKSA-N 351.230 2.272 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)CSc2ccccc2)C1 4029823 AWTOWIPJXQJRGL-GVDBMIGSSA-N 356.491 2.421 0 40 FEAB biogenic COc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)c(OC)c1 32124156 MQVKAHLAVYHQCS-HNNXBMFYSA-N 369.377 2.433 0 40 FEAB biogenic COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1OC 7230503 OOQRAZUMFHZWRI-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB O=C(NCCc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 7345086 GCHQPCDFDXKOFB-UHFFFAOYSA-N 351.381 2.454 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O 11518739 JNUJUATUXYLBQN-UHFFFAOYSA-N 362.361 2.119 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(C)c(C)c2)C1=O 10167153 ANQWNJFVASXALG-UHFFFAOYSA-N 360.410 2.140 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 45866165 ODTMEWHSIDTZKO-AWEZNQCLSA-N 362.382 2.294 0 40 FEAB Cc1cc(NC(=O)CCCN2C(=O)CN(C)C2=O)ccc1Br 20903738 CWURYSBZIAXZIX-UHFFFAOYSA-N 368.231 2.370 0 40 FEAB COc1ccc(CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 2662282 SGVIAEZDXOUKMJ-UHFFFAOYSA-N 371.389 2.216 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 32845430 VFGBIWHNOURNGD-UHFFFAOYSA-N 369.396 2.268 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN([C@H](C)C(=O)Nc3nccs3)CC2)C1 52702787 SFOIVUKTEASEAC-UONOGXRCSA-N 364.515 2.441 0 40 FEAB CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1ccc(F)cc1F 25064330 FYJDJRXNPSLBEX-UHFFFAOYSA-N 368.405 2.439 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)Cc1ccccc1 7428460 XCQHVKZOIZNBAR-UHFFFAOYSA-N 355.390 2.300 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2C1 57621993 BORQTSGKHIJKGT-JTQLQIEISA-N 362.455 2.071 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C)CC1 26981103 HXTMJCTWIQMHHX-GFCCVEGCSA-N 365.528 2.188 0 40 FEAB CC(C)[C@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 21701921 JLPXSDHGXOKWFU-MLMQQJQWSA-N 361.486 2.284 0 40 FEAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H]1Cc1cccc(F)c1 58200983 UEHRPIPUHWUMOU-OAHLLOKOSA-N 367.380 2.203 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCSCC2)c1 58202435 QSLRUUUOHWSDQL-WMLDXEAASA-N 361.511 2.336 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCCC1 3247313 LHRORUZAXUZVTP-UHFFFAOYSA-N 350.440 2.060 0 40 FEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCSCC2)c2ccc(F)cc21 36353615 BIFFTAREHYIFSF-OAHLLOKOSA-N 352.387 2.040 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCCc2ccccc2F)s1 48277113 XJOBQGZUJUTPNP-UHFFFAOYSA-N 356.444 2.044 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1cncn1-c1ccc(F)cc1 48279752 JQBWZUGFBKHIKX-UHFFFAOYSA-N 354.389 2.259 0 40 FEAB COc1ccc(CNC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 3426325 GBRJECTVAHMQQV-UHFFFAOYSA-N 360.361 2.251 0 40 FEAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 12981693 VZMCMVJHRWUTEG-UHFFFAOYSA-N 363.439 2.048 0 40 FEAB C[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(S(C)(=O)=O)cc1 12923884 YRBCZLDBXBLRIC-GFCCVEGCSA-N 370.430 2.423 0 40 FEAB CCCCN(C)C(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13011993 HMEITNSVGJUNCI-OAHLLOKOSA-N 351.472 2.008 0 40 FEAB O=C(NS(=O)(=O)c1ccc(F)cc1F)[C@@H]1COc2ccccc2C1 69525674 OGWJQOIICSKHEG-NSHDSACASA-N 353.346 2.021 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903106 DPAPUEQMLGLLDS-UHFFFAOYSA-N 363.468 2.382 0 40 FEAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(Cl)cc1Cl 13720623 CYLNXQDPBDFDAT-LBPRGKRZSA-N 371.224 2.349 0 40 FEAB O=C([C@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CCN2CCCC[C@@H]2C1 65493069 VJYMUVVCMIOVDV-NVXWUHKLSA-N 363.408 2.014 0 40 FEAB O=C1CCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 14099359 CACIVCGESRBMRQ-UHFFFAOYSA-N 351.255 2.284 0 40 FEAB Cc1cccc(N2CCN(C(=O)CCNC(=O)c3ccco3)CC2)c1C 14095243 WCZSGBKZRWHOBC-UHFFFAOYSA-N 355.438 2.365 0 40 FEAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nc3n(c2=O)CCCCC3)C1 14138165 MHWAHTIZAXIYNM-INIZCTEOSA-N 369.469 2.079 0 40 FEAB Cc1c(C(=O)Nc2ccn(C)n2)sc2nc3n(c(=O)c12)CCCCC3 14122559 DTUNSCFHTAXVKC-UHFFFAOYSA-N 357.439 2.479 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCCO2 4549117 FGEKQHFDKNOQHS-UHFFFAOYSA-N 351.366 2.140 0 40 FEAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(CNC(C)=O)cc1 14241386 BSLGYMOIXUQADI-UHFFFAOYSA-N 362.451 2.152 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 6571804 JNMTZTVBZDVFMQ-AWEZNQCLSA-N 367.453 2.341 0 40 FEAB O=C1[C@@H]2N=C(c3ccccc3)O[C@@H]2C[C@H](CCO)N1Cc1ccccc1 4666936 NBOKTKNVYVFHAT-IPMKNSEASA-N 350.418 2.384 0 40 FEAB Cc1cnc(-c2cccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)c2)o1 66812281 HIMNFUHNTPUFEB-OAHLLOKOSA-N 363.439 2.403 0 40 FEAB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 4952283 CCAAPOQDZMRXPJ-SNVBAGLBSA-N 359.334 2.314 0 40 FEAB C/C=C/Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945212 LDSHGNSLVZRGAD-AATRIKPKSA-N 355.442 2.457 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(OC)c(Br)c1 6957907 PQYCUSRPJHQBKB-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)NC1=O 75107764 HXTYBZYKPBPIKR-KRWDZBQOSA-N 367.405 2.154 0 40 FEAB Cc1ncc2c(c1-c1noc(Cn3c(=O)oc4ccccc43)n1)CCNC2 20166490 HNNDMWNUEWWNKT-UHFFFAOYSA-N 363.377 2.042 0 40 FEAB COc1ccnc(N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)n1 96002423 ZIKCNOMHZLEVBR-LBPRGKRZSA-N 371.363 2.439 0 40 FEAB C[C@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-n2cncn2)cc1 9467305 AXNGSQHDEJEQOZ-LBPRGKRZSA-N 352.423 2.396 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 75380253 ADGXLGFOLSNXSP-GFCCVEGCSA-N 374.441 2.373 0 40 FEAB Cc1cc(OCC(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)no1 76023157 KHTIDQFRWFEMIR-STQMWFEESA-N 353.419 2.171 0 40 FEAB CN(CCCn1ccnc1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 84200093 UEPBKDKFKXBIIE-UHFFFAOYSA-N 350.463 2.379 0 40 FEAB Cn1c(=O)oc2cc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 84200016 LWKXBLXUVSLTCL-NSHDSACASA-N 361.398 2.327 0 40 FEAB CN1C(=O)CC[C@H](C(=O)N[C@@H]2CCCc3occc32)[C@@H]1c1cnn(C)c1 84317410 LZCAJVDBHJCKPL-DAYGRLMNSA-N 356.426 2.116 0 40 FEAB CCC[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)N1CCc2sccc2C1 84739957 HZUAZVRXQJSZJB-IVMMDQJWSA-N 350.484 2.343 0 40 FEAB CN1CCC(CCNC(=O)c2cc(-c3ccccc3)nc3ncnn23)CC1 36619238 GZIJCEYVWRTCHJ-UHFFFAOYSA-N 364.453 2.253 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 36676730 HWLIGURQZFYCMG-INIZCTEOSA-N 351.406 2.405 0 40 FEAB COc1ccc(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2105918 JHNDYDHNIKYTGK-SJORKVTESA-N 352.434 2.435 0 40 FEAB biogenic COc1cc2c(cc1CN1CCn3c(nnc3C3CCNCC3)C1)CCC2 72372116 MEYXRBGARNWTDU-UHFFFAOYSA-N 367.497 2.258 0 40 FEAB CCN(CCc1nc2cccc(C)c2[nH]1)c1cncc(C(=O)N(C)C)n1 1529158516 DOYFQOYMNCYJHT-UHFFFAOYSA-N 352.442 2.432 0 40 FEAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)c2coc(C)n2)n1 72378832 QLVAHFAZQBSUIC-OAHLLOKOSA-N 352.398 2.498 0 40 FEAB CN1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 30879543 SSPFDGHYSIVLSZ-HOTGVXAUSA-N 372.450 2.184 0 40 FEAB biogenic,in-vitro CCCCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 32909657 BNULQRCWNRZCHI-OAHLLOKOSA-N 354.472 2.016 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)s2)cc1 71285099 ZRSRETSISIFPED-QWHCGFSZSA-N 361.423 2.433 0 40 FEAB COc1cccc2c1CCN(C(=O)c1ccc(N3CCNC3=O)cc1)C2 182809087 GXQGVBQIXODZKS-UHFFFAOYSA-N 351.406 2.423 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)Cc3ccccc3)CC2=O)cc1C 70639282 JWKOJGLXGKLWTB-UYAOXDASSA-N 366.461 2.376 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cccn2)nc1 42684558 WRATXECRMIYKLX-OAHLLOKOSA-N 350.378 2.179 0 40 FEAB CS(=O)(=O)c1ccc(CCC(=O)N2CCC3(CC2)OCCS3)cc1 225620418 SAGVSMIBFFEDJP-UHFFFAOYSA-N 369.508 2.105 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220464446 JQHQNWOIOKJZBC-CQSZACIVSA-N 364.442 2.339 0 40 FEAB COc1ccc(CCS(=O)(=O)NC[C@@](O)(c2ccco2)C2CC2)cc1 75154970 MGUKSADJUANJKO-SFHVURJKSA-N 365.451 2.048 0 40 FEAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN(C)C)c1 223257828 SYTIJYHYPRWOTP-JXAWBTAJSA-N 355.438 2.427 0 40 FEAB COC(=O)CC1CCN(C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1 95474048 YATZDFFKJRMIPM-IBGZPJMESA-N 372.465 2.469 0 40 FEAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCCC3)c(=O)cc2OC)cc1 96101076 YEXMFHVMNTYCJZ-ZDUSSCGKSA-N 357.410 2.111 0 40 FEAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3cccc(N(C)C)c3)CC2)C1 96220640 LPVWBXJNFMRQTG-KRWDZBQOSA-N 373.497 2.289 0 40 FEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cccc3nccnc23)o1 96116021 OJOSRRVUNKHMGF-CYBMUJFWSA-N 370.361 2.130 0 40 FEAB biogenic CN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CC(=O)N2C=CC=CC2=N1 141549580 GRGBYRSZFNIWAC-LJQANCHMSA-N 357.385 2.136 0 40 FEAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4cnn(C)c4)[C@@H]3C2)n1 96055537 LJYIVGUFZUYVMG-PWIZWCRZSA-N 356.470 2.320 0 40 FEAB O=S(=O)(N[C@@H]1CCn2nccc2C1)c1ccc(OC(F)(F)F)cc1 245026704 NHMIXBNIAQLOAE-SNVBAGLBSA-N 361.345 2.075 0 40 FEAB CCN1CCC(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)CC1 249700839 YAYRYQRUOMSNDP-SFHVURJKSA-N 373.497 2.200 0 40 FEAB CCc1nccn1CCC(=O)N1CCC[C@H](Cc2nccnc2NC)C1 257218984 DFCZGRCZRNHXDY-OAHLLOKOSA-N 356.474 2.149 0 40 FEAB C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccnc2c1ncn2C 585082813 NXDQKZFAQQTITI-ZDUSSCGKSA-N 353.401 2.458 0 40 FEAB CC(=O)N1CCN(Cc2c[nH]cn2)C[C@H](Cc2cccc3cccnc23)C1 257204637 AVQFFYQRQJCLLX-KRWDZBQOSA-N 363.465 2.481 0 40 FEAB CC(=O)N1CCC(Cc2ccnc(N3CC4(CCOCC4)OC3=O)c2)CC1 257218930 DEWDXXRGGUIJLB-UHFFFAOYSA-N 373.453 2.388 0 40 FEAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCc2cccc(CN)c21 624389874 NPYRJUXCVMENKI-UHFFFAOYSA-N 374.388 2.039 0 40 FEAB CS(=O)(=O)[C@@H]1CN(CCc2ccc(F)c(F)c2)C[C@H]1C(F)(F)F 661185820 DAJAPTNDUCTXFB-ZWNOBZJWSA-N 357.344 2.415 0 40 FEAB COc1cccc2c1OC[C@@H](NC(=O)NCc1noc3c1CCCC3)C2 672825197 ULXOYWCABIOFQO-ZDUSSCGKSA-N 357.410 2.365 0 40 FEAB O=C(Nc1cccc(OC(F)F)c1)c1ccnc(N2CCOCC2)n1 624171042 MNADLFWKRVSWSW-UHFFFAOYSA-N 350.325 2.167 0 40 FEAB COc1ccc2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C)cc4)C3)n2n1 634457889 KAGHACNVJOYZTO-MRXNPFEDSA-N 365.437 2.051 0 40 FEAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 635016148 WLIIVSWJSBKLKX-CQSZACIVSA-N 356.344 2.326 0 40 FEAB O[C@@]1(Cc2nc(-c3ccncn3)no2)CCCN(Cc2ccccc2)C1 643966038 GZSCFVMCYPFCOR-LJQANCHMSA-N 351.410 2.096 0 40 FEAB CO[C@H]1CN(C(=O)CCCn2cncn2)CC[C@@H]1Cc1ccc(C)cc1 585280958 QSZGOTXIWPIVGR-MOPGFXCFSA-N 356.470 2.473 0 40 FEAB CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCc3c[nH]nc3C2)cc1 673084622 XJEYUUDFNJZLKO-GFCCVEGCSA-N 362.455 2.032 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 65522692 IYULEHFFIFBKLZ-GJZGRUSLSA-N 370.902 2.231 0 40 FEAB O=S(=O)(NCc1ccc(C2OCCO2)cc1)N1CCc2ccccc2C1 65547511 PMQJHFRRQKNZIA-UHFFFAOYSA-N 374.462 2.125 0 40 FEAB Cc1cc2nc3n(c(=O)c2n1CC(=O)NCc1ccc(F)cc1)CCCC3 169778272 DUZINJBABFVNPX-UHFFFAOYSA-N 368.412 2.298 0 40 FEAB Cc1cc2n(n1)C1(CCN(Cc3ccnn3C)CC1)CC(=O)N2CC1CC1 1772596388 CMWSTEBUKPUFQV-UHFFFAOYSA-N 368.485 2.063 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(F)c2F)CC1 12981158 HSWBPYUHEJUHGC-UHFFFAOYSA-N 371.409 2.076 0 40 FEAB O=C1NC(=O)/C(=C\c2cc(Br)cc(Br)c2O)N1 14210772 KBPLQCNEBFZOQO-FARCUNLSSA-N 361.977 2.098 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 14867668 FVMHPNJJAHWWTD-UHFFFAOYSA-N 367.448 2.402 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1OC 16681782 LNBCQAFVXRUQEC-UHFFFAOYSA-N 374.462 2.192 0 40 FEAB COc1cccc(NC(=O)NC2(C(=O)N3CCN(C)CC3)CCCCC2)c1 19589697 VCSPLDYCUDMMNB-UHFFFAOYSA-N 374.485 2.294 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4C)CC3)n2CC1 19709456 AXMYUCSQJCPBII-UHFFFAOYSA-N 367.497 2.371 0 40 FEAB N=c1nc(N2CCCC[C@@H]2Cc2ccccc2Br)[nH]c(=N)[nH]1 624247973 XMYPLOGDCMVJRN-LLVKDONJSA-N 363.263 2.061 0 40 FEAB CCO/C=C/[C@@](O)(CNC(=O)COc1ccccc1F)C(F)(F)F 3186410 KNGYAMPULREUKM-HSBSLETESA-N 351.296 2.164 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)nc2ccccc21 1888890515 VUHUKXYYUZWYRR-OKILXGFUSA-N 365.412 2.316 0 40 FEAB Cc1ncnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)c1C 2087122260 BWGZGZDOWHXWOV-UHFFFAOYSA-N 354.458 2.104 0 40 FEAB COc1cc(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)on1 1565552302 ZFCCHEYKEIKRAA-QGZVFWFLSA-N 361.423 2.404 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1 10324753 JGADYHIEDUZJQT-UHFFFAOYSA-N 371.418 2.257 0 40 FEAB CN([C@@H]1CCCN(c2ncnc3sccc23)C1)S(=O)(=O)C1CC1 2086889449 BNIAFOFYSCKJQY-LLVKDONJSA-N 352.485 2.084 0 40 FEAB O=C(NCc1cccs1)N1CCN(C[C@H](O)c2cccs2)CC1 85466949 BJMVPUBCUATUOU-AWEZNQCLSA-N 351.497 2.370 0 40 FEAB O=C(C1CCN(c2ncnc3c2oc2ccccc23)CC1)N1CCOCC1 30763475 MUIQLXHTRIMZMA-UHFFFAOYSA-N 366.421 2.451 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2N1 7364515 VOIAKXQZHLDLMF-UHFFFAOYSA-N 371.462 2.082 0 40 FEAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 1936109 FLACMLVNNGNKIG-UHFFFAOYSA-N 372.764 2.118 0 40 FEAB CC(C)n1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 32095382 MOVDNHZZQTYFBM-UHFFFAOYSA-N 369.446 2.395 0 40 FEAB COCCCNC(=O)c1ccc2c(=O)n(-c3ccccc3OC)cnc2c1 32073942 SGLQSQJSDUGRER-UHFFFAOYSA-N 367.405 2.161 0 40 FEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCCCC3)cc(C3CC3)nc21 32059973 FZEWTLMNXXAZLN-UHFFFAOYSA-N 370.453 2.435 0 40 FEAB O=C1[C@H]2ON=C(c3cccnc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101210351 AQJDONKHRHTKHS-OCCSQVGLSA-N 372.178 2.137 0 40 FEAB COc1cccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)c1 32100864 OPNQIBXPBUTSRB-UHFFFAOYSA-N 359.403 2.448 0 40 FEAB CCc1nnc(S/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)O)o1 7508422 OPERMOIBRXOKJM-XFFZJAGNSA-N 350.352 2.313 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2ccc(-n3cccn3)cc2)c2ccccc21 9962396 PKPUFUUUUBFFRA-UHFFFAOYSA-N 362.389 2.269 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1Cn1cccn1 102952907 AEMRVEJQZHQKIO-IYBDPMFKSA-N 366.421 2.045 0 40 FEAB Cc1nc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc(-n2cccn2)n1 23144301 JYQQVEWCKOTSHE-CMDGGOBGSA-N 374.448 2.333 0 40 FEAB CCN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@H]4CCCO4)ccc1c23 956879 PNPKACKWOIISBC-LBPRGKRZSA-N 360.435 2.277 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 23625763 DRLXKHKMJCXTTH-UHFFFAOYSA-N 354.428 2.422 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1OC(F)F 25291260 XEXHZPUYYXEYIF-UHFFFAOYSA-N 363.364 2.450 0 40 FEAB CCc1ccc(OCC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1 57065675 XIWQTCGVCQVVCP-UHFFFAOYSA-N 359.514 2.114 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccnc1-n1cccn1 58066976 JPKSKTYOPHHKRH-UHFFFAOYSA-N 360.381 2.170 0 40 FEAB Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)N(C)C)cc1 58193682 FRJKXSKPWMLRDG-RBUKOAKNSA-N 367.497 2.421 0 40 FEAB CCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2117248 RPQIRDLZHBGTDT-CYBMUJFWSA-N 361.394 2.330 0 40 FEAB biogenic O=C(NCCN1CCCc2ccccc21)C1CCN(c2ncccn2)CC1 58224652 FTEAQFMVQYFWMC-UHFFFAOYSA-N 365.481 2.262 0 40 FEAB COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(N)=O)cc1OC 58208521 OLSDUDVBOTWWDH-UHFFFAOYSA-N 368.345 2.161 0 40 FEAB O=C(CNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)OCc1ccccc1 58357631 SUVJZBZTYLZGGX-KRWDZBQOSA-N 356.353 2.178 0 40 FEAB COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(CCC(=O)O)cc1 58494835 DLIRPVULQJTGKJ-UHFFFAOYSA-N 361.419 2.464 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 3449574 CDNOARACKZFGDQ-UHFFFAOYSA-N 354.819 2.053 0 40 FEAB Cc1ccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)cc1F 17113058 OIJISKTZMWLZBZ-UHFFFAOYSA-N 356.357 2.241 0 40 FEAB NC(=O)CN1CCC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 68463816 QBJOYIWSOMGLCS-CQSZACIVSA-N 361.442 2.234 0 40 FEAB CSc1ccc(CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 7986201 YJFHCACBQFUTRI-UHFFFAOYSA-N 369.446 2.070 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)Nc3cccnc3N3CCOCC3)C2)n1 69036767 PNHHFYRZXTVDMR-CQSZACIVSA-N 372.429 2.021 0 40 FEAB CNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 5309796 KYYATPDIIPOKTN-UHFFFAOYSA-N 372.764 2.043 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)C2=O 65567049 SZWIZANZJNTQQW-DEXNDLTESA-N 374.441 2.021 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)NC2CC2)c1 14140432 NIFBXVLZILQPJV-UHFFFAOYSA-N 374.418 2.151 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCc3ccccc3F)ccc2N1S(C)(=O)=O 8246571 DUPWZYZXTUSKIX-GFCCVEGCSA-N 362.426 2.466 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cn2ccsc2n1 8216252 WVTTZTFTJFPPEL-UHFFFAOYSA-N 367.434 2.224 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1 5611962 CWXTWAOABBOTEZ-UHFFFAOYSA-N 372.490 2.461 0 40 FEAB Cc1ccc(-c2cc(=O)[nH]c(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 4818161 BYMPFWXYRZAQMI-UHFFFAOYSA-N 364.405 2.301 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(F)cc1 4984882 YBDJAMMGSZWPCO-KRWDZBQOSA-N 367.380 2.416 0 40 FEAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)NC1CC1 7282932 AWQOJYGQLCTBMM-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)Nc1sc2c(c1C(N)=O)CCCC2 8755493 AXLQJBUXJAMOFZ-LLVKDONJSA-N 350.488 2.332 0 40 FEAB COc1ccc(C(=O)Cn2nc(N)n(Nc3ccncc3)c2=S)cc1 28535015 DQLRBLNIMSMWJE-UHFFFAOYSA-N 356.411 2.158 0 40 FEAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1 9184042 QHAUMDGSWYJDRN-JNNRSPCRSA-N 369.352 2.047 0 40 FEAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1-c1ccc(Cl)cc1 9312921 IFOXOECAWNSTQX-INIZCTEOSA-N 369.808 2.120 0 40 FEAB O=C(O)COc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 96635096 PGBCTIHFWHVRJL-VGOFMYFVSA-N 367.313 2.223 0 40 FEAB Cc1cc(CN2CCN(CC(=O)N3c4ccccc4CC[C@H]3C)CC2)on1 29154059 CVXBGURJVFRLBK-QGZVFWFLSA-N 368.481 2.469 0 40 FEAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 77986547 QTUWYKLIIZZJDZ-LLVKDONJSA-N 352.437 2.282 0 40 FEAB CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1ccc(Br)cc1 95943963 SSPNFBJWVODJRM-OAHLLOKOSA-N 358.232 2.272 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(N)=O 408679363 WFGAJQCSAVMEAX-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1CC(C)(C)CN1CCOCC1 72336959 NVFWKHDXSYVDRY-AEFFLSMTSA-N 369.513 2.458 0 40 FEAB CN1C[C@@H](C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)CC1=O 72401935 WBMGXJXBAWUUKO-NSHDSACASA-N 355.350 2.019 0 40 FEAB Cc1ccccc1C(=O)N1CCN(c2ccc(N)cc2-n2cnnc2)CC1 70461826 RFQBJVVLZWERDS-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 72334936 VVZUWWWPDHLJNR-GFCCVEGCSA-N 355.423 2.172 0 40 FEAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 225665010 JOUCWNPHJYAEHM-DZKIICNBSA-N 351.811 2.062 0 40 FEAB Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)N1CCC(C(N)=O)CC1 227151096 SODXAAJDSIYBIO-UHFFFAOYSA-N 370.453 2.062 0 40 FEAB CSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)O)n1 41156667 HQTPLMXAMMOLNA-LLVKDONJSA-N 351.815 2.278 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)NCc1ccco1 96218128 ODIXSHCJPGZXDM-BHIYHBOVSA-N 355.438 2.218 0 40 FEAB COCCN1CC2(CCN(Cc3ccsc3)CC2)[C@@H](COC)C1=O 96208250 JBCGCMWFEGSTGQ-INIZCTEOSA-N 352.500 2.082 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)C3)ncc2C1 247951393 QQQRHZSGJRICLF-NWGLXNPWSA-N 368.481 2.133 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2ccc(C)s2)n1 257336692 YPPLNSQUHUHJJH-KRWDZBQOSA-N 358.467 2.389 0 40 FEAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 257294503 QULMIQKZYVNBJQ-HNNXBMFYSA-N 352.398 2.459 0 40 FEAB CC(=O)N1CCCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)CC1 253406829 VAXORISFNOHXQC-ZDUSSCGKSA-N 357.410 2.089 0 40 FEAB biogenic,in-vitro CCc1noc(COC2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)C2)n1 644216937 NYKBNOOFOXCRDV-LSDHHAIUSA-N 357.410 2.172 0 40 FEAB O=C(CN1Cc2ccccc2C1=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653330641 IFLHQJPIBLEZSF-SJORKVTESA-N 350.374 2.072 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccc2c(c1)nnn2C 657581408 DBDNJPDCBUOJGX-HNAYVOBHSA-N 354.458 2.442 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnn1[C@H]1CCNC1 662545028 KTTDNTWCFJGMMH-NWDGAFQWSA-N 359.396 2.172 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CCO1 665576906 AOKKCZNPFWXYII-SFHVURJKSA-N 359.470 2.173 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)cc1 1304008484 QTJBWLHRNQXVOA-KRWDZBQOSA-N 352.390 2.379 0 40 FEAB COc1ccccc1CC(=O)N1C[C@H](OC)C[C@H]1COc1cccnc1 1775957442 UXBHUOCVUXQQAD-FUHWJXTLSA-N 356.422 2.328 0 40 FEAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575422608 MEERBXWUNOSGKL-MRXNPFEDSA-N 359.513 2.200 0 40 FEAB COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@@H](C)C2 585098675 WSVCWCNBSIQRNL-AWEZNQCLSA-N 354.454 2.003 0 40 FEAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cnccn1)C2 585106690 FKTVKVJBTHOGTM-HXUWFJFHSA-N 360.421 2.244 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@@](CO)(Cc2cccc(C)c2)C1 585279377 YNKLJBGFYSOHHK-NRFANRHFSA-N 355.434 2.450 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2F)CC1=O 44630642 IQHULNZYAPXQPG-AWEZNQCLSA-N 369.396 2.479 0 40 FEAB C[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC=CCC1 655454534 QQEWYFVYAWFMSH-XOBRGWDASA-N 356.422 2.426 0 40 FEAB O=C1C[C@H](c2ccccc2)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 38408379 CIWCEKQWLLHVCC-LJQANCHMSA-N 367.424 2.448 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N2CCCC2=O)c1 11916938 KNDRLJWERYLZCM-UHFFFAOYSA-N 373.434 2.022 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1 12409111 JJLWOQAPQYSNFM-UHFFFAOYSA-N 357.801 2.297 0 40 FEAB COc1ccc(C)cc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 19133546 RJAWQLKHFFECIL-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccc(C)o1)CC3 19216638 FHIKCBFGRKMVHH-UHFFFAOYSA-N 369.421 2.373 0 40 FEAB CSc1nnc([C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)n1C 19288785 BQOIAAUQFHOBJX-QMMMGPOBSA-N 374.392 2.267 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnnc2)cc1)c1cccc(F)c1 19659289 FARRETJAQLWVGS-SFHVURJKSA-N 353.401 2.439 0 40 FEAB CC[C@H]1C(=O)NCCN1C(=O)CCc1c(C)nn(-c2ccccc2)c1C 19717237 GKCUZIVETKJCTR-SFHVURJKSA-N 354.454 2.159 0 40 FEAB COCC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19755479 QSAQXBWTFFGPOJ-INIZCTEOSA-N 372.400 2.486 0 40 FEAB Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccn(C2CCOCC2)n1 630136249 YGKWGYWBXYKBOR-UHFFFAOYSA-N 359.382 2.259 0 40 FEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C2CCSCC2)no1 575615641 FICLEAGRSFSKJH-SNVBAGLBSA-N 370.475 2.210 0 40 FEAB O=C(NCC1(OCCO)CCSCC1)c1nc2ccccc2s1 828765431 OSWFSGVPIJCDLD-UHFFFAOYSA-N 352.481 2.301 0 40 FEAB O=C([C@@H]1CN(c2ncccc2Br)CCO1)N1CCCCC1 1888849961 WLEIVWRVAGMQFH-ZDUSSCGKSA-N 354.248 2.062 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)[C@H](C)n4cccn4)CC3)ccc2n1 1888882259 KCAREVASSAPTTR-HNNXBMFYSA-N 368.441 2.113 0 40 FEAB Cc1ocnc1C(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037989110 VZXQDLZIFWQGMX-UHFFFAOYSA-N 368.437 2.132 0 40 FEAB O=c1c(=O)n2c(nn1Cc1ccc(Cl)cc1)N(c1ccc(F)cc1)CC2 8849063 PJMNOPIJYICORH-UHFFFAOYSA-N 372.787 2.398 0 40 FEAB Cc1nn(CC(=O)NC(C)C)c(=O)c2c1cnn2-c1cccc(Cl)c1 13970699 GXWOSKUWJOHTOB-UHFFFAOYSA-N 359.817 2.069 0 40 FEAB COc1ccc(CC(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1 22765668 KVHFYTDOESJMFQ-GOSISDBHSA-N 360.479 2.489 0 40 FEAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccc(Br)cc1 12274318 CXOKUDCFDRHTBA-ZDUSSCGKSA-N 365.231 2.247 0 40 FEAB Cc1ccccc1CC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 40090552 YGYMRMIWSSNEJY-IAGOWNOFSA-N 358.482 2.412 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)NCc1cc2cc(F)ccc2s1 40135176 YSADBGQPIXVBGG-UHFFFAOYSA-N 368.393 2.462 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2OC)c(OC)c1 11134574 QIAXWEFPVQRMHH-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1 20504037 PTJPHLOIVZIECA-UHFFFAOYSA-N 355.427 2.317 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)NCCC(=O)Nc1ccccn1 45830238 LFHYZZDTYBWJLO-UHFFFAOYSA-N 365.393 2.035 0 40 FEAB CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975988 JOQNWGLCEGIOKR-HBNTYKKESA-N 372.516 2.251 0 40 FEAB CCCCOc1ccc(C(=O)NC(=S)Nc2nnnn2CCC)cc1 6264436 JSPPGSVCNTUCQJ-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)cc1 11750232 CVZZKFWEPMLNOB-UHFFFAOYSA-N 358.463 2.115 0 40 FEAB CCCCN(Cn1c(=O)oc2ccc(Cl)cc21)[C@@H]1CCS(=O)(=O)C1 32776701 OYRMIFOSTQCXNQ-CYBMUJFWSA-N 372.874 2.495 0 40 FEAB COCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10324886 OWLIZPDKVUDUBP-CQSZACIVSA-N 374.462 2.203 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccccc1 2664464 WUWRGPFXJHIFGW-SPLOXXLWSA-N 363.417 2.257 0 40 FEAB COC(=O)c1ccc(F)c(NC(=O)CCn2ncc(=O)c3ccccc32)c1 32903237 MEYGDZAOWMELRO-UHFFFAOYSA-N 369.352 2.351 0 40 FEAB CCOCCOCc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1 32930008 GXYPKSVALRKUCB-UHFFFAOYSA-N 354.406 2.291 0 40 FEAB CN(C)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 21768535 PGBDWQPSJDMIJN-UHFFFAOYSA-N 354.453 2.040 0 40 FEAB O=C(NCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(F)cc1 22611165 ZVLLEWPEJVITSA-UHFFFAOYSA-N 369.440 2.290 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccn1 61718064 NEVRXTPHEBKVOC-AWEZNQCLSA-N 371.416 2.080 0 40 FEAB CONC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 89662704 CYRNIPVHSNHGML-INIZCTEOSA-N 374.441 2.045 0 40 FEAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC(=O)C1CC1 1024949 QOKQBQSKLMBBDX-INIZCTEOSA-N 374.393 2.202 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1C 23683868 VRRRKDPDLWNTEH-RFAUZJTJSA-N 369.468 2.021 0 40 FEAB Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 108532051 RUZRTZXNRVMUPY-NVXWUHKLSA-N 352.429 2.198 0 40 FEAB CCOC(=O)c1c(NC(=O)N2CCN(C(C)=O)CC2)sc(C)c1C 24562543 POACWQNCCGIDMS-UHFFFAOYSA-N 353.444 2.238 0 40 FEAB O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccccc1 24653658 YEFWXTRKFRMJEB-AWEZNQCLSA-N 350.465 2.390 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1cccc(CS(C)(=O)=O)c1 25095413 KZTWWMUDFCVPHH-UHFFFAOYSA-N 351.424 2.113 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@@H]1CC[C@@H]2C(=O)O 118923257 PDRJFMGTKZFELS-CYGWCMMDSA-N 352.471 2.178 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 12616499 ZMOZJUGHXZSNLO-FOIQADDNSA-N 367.405 2.240 0 40 FEAB NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc3c(n2)CCCC3)n1 89814312 RJRSAJZZWMRAMQ-UHFFFAOYSA-N 361.405 2.497 0 40 FEAB O=C(NCc1ccccn1)[C@H]1CCC[C@H](C(=O)NCc2ccccn2)C1 58174044 ARFJJMVLADEQSW-HOTGVXAUSA-N 352.438 2.216 0 40 FEAB O=C(Cc1csc(-c2ncccn2)n1)NC[C@H]1COc2ccccc2O1 58197773 OEJSPWDIVSZTEI-ZDUSSCGKSA-N 368.418 2.099 0 40 FEAB CCC(CC)NC(=O)[C@@H]1CN(CC(=O)NCC2CC2)c2ccccc2O1 58216746 ORXKHGQBBBOQOJ-SFHVURJKSA-N 359.470 2.085 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 3480501 SGYAFKPPUSWBTN-QGZVFWFLSA-N 351.406 2.487 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 12932397 YHUPZLCDPFYWFB-LBPRGKRZSA-N 352.442 2.442 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)cc1OC 63628528 URFPPKVMIJGAHZ-UHFFFAOYSA-N 357.409 2.289 0 40 FEAB Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 17317419 OWDCTUSWLKNNLA-UHFFFAOYSA-N 366.508 2.367 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2C1 14199014 JNYPKSORVHYZBQ-UTUOFQBUSA-N 359.451 2.158 0 40 FEAB Cc1cc(C(=O)COC(=O)Cn2cncn2)c(C)n1Cc1ccc(F)cc1 8919401 LNRUBQVFVGLXJA-UHFFFAOYSA-N 370.384 2.310 0 40 FEAB COC(=O)c1c(CC(=O)Nc2ccc(NC(C)=O)cc2)[nH]c(C(C)=O)c1C 14241238 KJFCDMRJKQJIRW-UHFFFAOYSA-N 371.393 2.452 0 40 FEAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 14249516 YGMCDKXZADHTCI-NRFANRHFSA-N 365.433 2.469 0 40 FEAB Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 6653771 BBUKDZYOVQREBA-UHFFFAOYSA-N 361.427 2.373 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccsc1 5615775 YLWQWTUSNXMBEQ-UHFFFAOYSA-N 354.453 2.188 0 40 FEAB COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)N1CCCCC1 6879481 QIRCLUFQYGUENK-OCCSQVGLSA-N 352.456 2.464 0 40 FEAB O=C(c1ccc(F)cc1F)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 5825404 YWPOZHIVXFKYRM-LBPRGKRZSA-N 355.362 2.387 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1ncn(-c2ccccc2)n1 8704110 FZFLDSXYAHVFPN-UHFFFAOYSA-N 359.436 2.159 0 40 FEAB Cc1ccc(N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1C 409406226 AVXYCBJBOJBAIF-MRXNPFEDSA-N 370.515 2.389 0 40 FEAB COCCNCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 8734930 INLYTZUVTXHRPH-MRXNPFEDSA-N 359.451 2.367 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)CC3(CCCC3)C2=O)n1 8706888 SCCXWRPULOUVJX-UHFFFAOYSA-N 366.425 2.325 0 40 FEAB COC(=O)c1cc(COC(=O)CCN2C(=O)c3ccccc3C2=O)oc1C 18238062 DFBXGGUGJGDOGR-UHFFFAOYSA-N 371.345 2.104 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)cs1 18387285 ALJQMXBRVCJHMQ-UHFFFAOYSA-N 354.434 2.362 0 40 FEAB Cc1cc(C(=O)NCC(C)(C)Cc2ccccc2)nc2nc(O)[nH]c(=O)c12 81411231 DSJDYBPJYFIVTG-UHFFFAOYSA-N 366.421 2.331 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9157486 SNOUVSMWTSSYIW-INIZCTEOSA-N 365.389 2.266 0 40 FEAB NC(=O)C1CCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)CC1 9420988 CKTNAZDOEGKDTJ-UHFFFAOYSA-N 354.435 2.425 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)NC1CC1 9486640 LGUNSNCOVGXXEM-INIZCTEOSA-N 372.400 2.033 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@@H](c2ccccc2)O1 78520184 XZIPYOYPCNOKBP-PXAZEXFGSA-N 350.374 2.172 0 40 FEAB O=C(c1cc(Oc2ccccc2)ccn1)N1CCOC[C@H]1c1ncon1 95995319 QOGFVLQHYAUDEE-INIZCTEOSA-N 352.350 2.471 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)NC1CC1 95999847 MXQBDLZHRLQGGV-LJQANCHMSA-N 368.481 2.200 0 40 FEAB COc1ccc(-n2ccc(C(=O)N[C@H]3CCOC4(CCOCC4)C3)n2)cc1 89455532 WUBWAEVFYBCECI-HNNXBMFYSA-N 371.437 2.339 0 40 FEAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(Cc1ccccc1)CN2 20589245 WCBQXTSIMHVQCV-UHFFFAOYSA-N 352.369 2.050 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 35311584 FKLOCZFZLPXHCR-UHFFFAOYSA-N 366.468 2.471 0 40 FEAB Cc1cc(N2CCC(C(=O)NC3CCC(C)CC3)CC2)n2ncnc2n1 35313384 OBRGVJJGLWRZLU-UHFFFAOYSA-N 356.474 2.344 0 40 FEAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 32909656 BNULQRCWNRZCHI-HNNXBMFYSA-N 354.472 2.016 0 40 FEAB O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32095739 DRJJBWQGYYOQAH-LBPRGKRZSA-N 354.362 2.155 0 40 FEAB CC(C)CCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 37866214 LGDSYPRYABNHCB-ZTFRIQLXSA-N 368.455 2.252 0 40 FEAB Cc1cn2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(O)n1 75163963 NWFWYYRLNVQSBX-UHFFFAOYSA-N 353.260 2.289 0 40 FEAB CC(C)CCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635234 KMRJQYMEFUHOAT-ZDUSSCGKSA-N 370.471 2.300 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1ccc(Br)o1 225775929 YFLSTUPYYPGAJF-UHFFFAOYSA-N 368.212 2.244 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2C)cc1OC 42646065 KBJIMMZIXQWNHV-UHFFFAOYSA-N 360.385 2.449 0 40 FEAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N1CCCCCC1 40161993 PLPCCJRMJFHGKA-UHFFFAOYSA-N 367.467 2.215 0 40 FEAB CCOC(=O)/C=C1\CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1O 146605837 QHPMGOKMOQDGLM-WBBLPQCNSA-N 361.413 2.402 0 40 FEAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)cs1 96041043 BVVCKDMAJRPAFL-JQFCIGGWSA-N 358.467 2.465 0 40 FEAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4occc4C)CC[C@@H]3C2)nn1 96249809 YYDNJTZGUKOQGO-HZPDHXFCSA-N 356.426 2.054 0 40 FEAB CC(C)N1CCc2ncn(C)c2[C@H]1C(=O)N1CCN(c2ccccc2)CC1 96147159 SPAULJPESNWZKN-FQEVSTJZSA-N 367.497 2.077 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 96216010 YVKWPBTXWLKNTF-LJQANCHMSA-N 355.442 2.210 0 40 FEAB O=C1NC2(CCN(C(=O)Cc3cccs3)CC2)C[C@@H]1c1ccncc1 96069652 QOZQNTBEYHXPTE-MRXNPFEDSA-N 355.463 2.351 0 40 FEAB Cc1cccc2c(CC(=O)N3CCC[C@H](n4cc(C(=O)O)nn4)C3)c[nH]c12 580314636 BHATWBZJQVXVGX-AWEZNQCLSA-N 367.409 2.172 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96208230 DNHOHUKSMYSADZ-PKOBYXMFSA-N 358.413 2.321 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247838377 OIEPWMYONQKJRB-OAHLLOKOSA-N 358.467 2.386 0 40 FEAB CN(C)c1nc(COc2ccccn2)cc(On2nnc3ccccc32)n1 257233491 GPNBGVYQETUBNK-UHFFFAOYSA-N 363.381 2.103 0 40 FEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 253596296 POMGNNQCGADPQH-OASIQESESA-N 354.454 2.382 0 40 FEAB COc1ccc2c(c1)N(C(=O)Cn1cc(Br)cn1)C[C@@H](C)O2 266040427 KWDBNXQPMGMVEE-SNVBAGLBSA-N 366.215 2.468 0 40 FEAB CN(C)c1nccc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 607145885 ZMMKGTYLQHKVKB-INIZCTEOSA-N 361.877 2.052 0 40 FEAB CCn1ncc(Cl)c1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 621908008 IYYWZXVCRDDQCI-UHFFFAOYSA-N 360.805 2.076 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644073234 MKJMPWLXJDIGRT-XHSDSOJGSA-N 356.388 2.352 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)cn1 665142570 BMNYXTYGRHMUQY-WDTWZTHCSA-N 350.463 2.407 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)n1 575403984 KHFDQRZMGXRDMR-HNNXBMFYSA-N 358.467 2.040 0 40 FEAB Cc1ccc(O[C@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]2O)cc1C 585267886 MYFYZPPCYWOHME-SFTDATJTSA-N 357.450 2.299 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N4CCC[C@@H](C)C4)nc3C2)n(C)n1 585112229 NFLBNQGFNGAHOI-CYBMUJFWSA-N 357.458 2.147 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCCCCC1 585285114 CNZHSHGZVGYPGD-FQEVSTJZSA-N 367.461 2.353 0 40 FEAB CC(C)(O)C1CN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 547702675 MZIFSAHWPDVHQY-AWEZNQCLSA-N 367.440 2.342 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3[C@@H](C)CCC[C@H]3C)nc12 12117672 FDWVGJLZKXMPGV-OKILXGFUSA-N 355.442 2.260 0 40 FEAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc(Cl)s1 14100843 FUUCRUFLXHKKAN-UHFFFAOYSA-N 354.844 2.461 0 40 FEAB CCN1CCC[C@H]1CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 19527174 DNUKALOVANUHOD-IBGZPJMESA-N 354.502 2.424 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 19765690 QVPZZEVBLUDFRD-MRXNPFEDSA-N 360.458 2.111 0 40 FEAB CO[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@H]1c1cnn[nH]1 623031826 WNIAQNJOTFTENM-DOTOQJQBSA-N 358.417 2.397 0 40 FEAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H](C(=O)O)C2CC2)CC1 635015750 IBOOUUVFZANDAF-XJKSGUPXSA-N 356.426 2.278 0 40 FEAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(CCO)CC1CC1 572262145 XKNQRUFSIRDDGA-UHFFFAOYSA-N 357.332 2.149 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCC1=CCCCC1 3594633 MRASMHIPCJUNKX-OAQYLSRUSA-N 367.449 2.387 0 40 FEAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)NCc1ccc(F)cc1 11314129 MGESRMOQOZVJNX-LLVKDONJSA-N 361.402 2.251 0 40 FEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888897770 KRCQZLOAKROCNE-UHFFFAOYSA-N 357.393 2.194 0 40 FEAB COc1ccc(CCN2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 1889191996 WVWDZOFPAUAVMC-UHFFFAOYSA-N 364.453 2.036 0 40 FEAB COCC(=O)Nc1cccc(NCC(=O)NCCc2ccc(F)cc2)c1 29936974 PIGKSQRRZIZDSZ-UHFFFAOYSA-N 359.401 2.181 0 40 FEAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)C1CCCC1 1775963834 GASSSJLPUMPTJD-HNNXBMFYSA-N 369.425 2.135 0 40 FEAB biogenic,in-vitro COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 8844923 HNGNZCYPAZEMKP-HXUWFJFHSA-N 367.405 2.409 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)NC1CC1 9708293 KBFIKBXJLVZULN-MRXNPFEDSA-N 355.463 2.247 0 40 FEAB O=C(NCCNC(=O)c1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 13854743 RTKMXBJUOQOWDM-UHFFFAOYSA-N 369.396 2.334 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccc2)C1 2055747721 OVRQFTSXPBITRH-FQEVSTJZSA-N 355.413 2.197 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(N)=O)C1 4280367 VVDXFDBBFDQDQC-UHFFFAOYSA-N 357.435 2.312 0 40 FEAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)nc2ccccn2c1=O 96115232 PIWGZGNIKBPITA-AWEZNQCLSA-N 354.362 2.104 0 40 FEAB biogenic Cc1nn2c(=O)cc(CSc3nc(-c4ccccc4)cn3N)nc2s1 40119277 SNBANCFOISWESS-UHFFFAOYSA-N 370.463 2.329 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 40160411 PGHBBZZPIRTSAH-HNNXBMFYSA-N 362.426 2.489 0 40 FEAB COc1ccc(-c2nnn(CC(=O)NCC3CCCCC3)n2)cc1OC 7651503 YDTKRYCWXLJJQN-UHFFFAOYSA-N 359.430 2.054 0 40 FEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 921114 IJDOYIHEQCCWFV-UHFFFAOYSA-N 372.512 2.036 0 40 FEAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 6025786 GTZWMHPSQLYRBW-UHFFFAOYSA-N 353.334 2.130 0 40 FEAB COC(=O)c1cc(NC(=S)NC(=O)C(C)(C)C)cc(C(=O)OC)c1 8555963 RAVGIIBAWDQIHO-UHFFFAOYSA-N 352.412 2.119 0 40 FEAB CCOC(=O)CN1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O 12113068 VMYRNSDJJHUVNZ-NSHDSACASA-N 373.228 2.446 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Cc2c(F)cccc2Cl)s1 22282138 RXFHSUXPQDSNPF-UHFFFAOYSA-N 362.835 2.047 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCC3)cc1OC 42294478 IKSFZNQSYFOLDD-UHFFFAOYSA-N 361.419 2.311 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015898 HGKUSJBUYHQMKC-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(O)c(OC)c1 815862 BAJNXFZYSNHWDF-UHFFFAOYSA-N 361.394 2.324 0 40 FEAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(c2ncccn2)CC1 7955796 HGFOIICFNBAACG-BQYQJAHWSA-N 360.421 2.024 0 40 FEAB COc1cccc(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 23958300 MSYQBYLZLGNZCU-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB NS(=O)(=O)c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 12548549 VFFHAVGRSNFBIP-UHFFFAOYSA-N 364.448 2.063 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 24690224 WHHGWVBMPAAMLD-ZDUSSCGKSA-N 364.389 2.249 0 40 FEAB C[C@@H](NCc1cccc(Cn2cccn2)c1)C(=O)NC(=O)NC(C)(C)C 56207931 XLKKVRZQIZOJPT-CQSZACIVSA-N 357.458 2.034 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 35343800 MZCDUWZFZLIGCD-QGZVFWFLSA-N 363.461 2.422 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48194217 QDWFBLVTWFJPDW-IYBDPMFKSA-N 371.441 2.459 0 40 FEAB CS(=O)(=O)CCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O 58171401 BHPMCUXRKLNZAK-UHFFFAOYSA-N 355.419 2.017 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 58293616 CEAKOOQTKAYTLR-UONOGXRCSA-N 353.260 2.489 0 40 FEAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ncccc2O)cc1 58201220 ZYYJJUNQOSSOJD-AWEZNQCLSA-N 356.382 2.340 0 40 FEAB CC(C)C(=O)N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 36386252 ZOHKRJIUESUCJG-UHFFFAOYSA-N 357.376 2.444 0 40 FEAB O=S(=O)(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(Cl)nc1 48302789 JMMBBIFPDMAFQO-UHFFFAOYSA-N 353.766 2.256 0 40 FEAB CC(C)C[C@H]1NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12853246 JQHHVVJEBUPHJT-HUUCEWRRSA-N 354.834 2.184 0 40 FEAB O=C(COC(=O)c1ccc2ncsc2c1)NCc1ccc2c(c1)OCO2 3479453 PEMVOJDDNRWWQQ-UHFFFAOYSA-N 370.386 2.498 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3nc(C(C)=O)cs3)CC2=O)cc1 12917656 SGNLWBKOFAUALQ-LLVKDONJSA-N 359.407 2.346 0 40 FEAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccncc1 13125211 RQAQDDQLBLVANV-INIZCTEOSA-N 363.381 2.004 0 40 FEAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(Cc2ccsc2)Cc2cncn21 306132544 LLSMTICQUOTVMI-AWEZNQCLSA-N 352.410 2.415 0 40 FEAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c(OC)c1 4009212 LMVXBNQSPWOEQO-HNNXBMFYSA-N 364.398 2.381 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 8392934 XZXLLRLROOBHIZ-UHFFFAOYSA-N 374.462 2.320 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2ccc([S@@](C)=O)cc2)n1 65492611 ONBNFLRBFYUTDJ-QHCPKHFHSA-N 352.437 2.238 0 40 FEAB Cc1ccc(Cl)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1Cl 8726158 DFDNHXNYHPUGEP-UHFFFAOYSA-N 366.208 2.384 0 40 FEAB COc1cc2nc(CN3CCn4cccc4[C@@H]3C)[nH]c(=O)c2cc1OC 14120957 YJYGCOSLUUTKRK-LBPRGKRZSA-N 354.410 2.319 0 40 FEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccco1 5638240 SOCUSCDZQRRGIH-UHFFFAOYSA-N 370.814 2.206 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408922832 UBLNPQGWFREMIE-AWEZNQCLSA-N 362.451 2.166 0 40 FEAB COCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)n[nH]c1=O 7301241 ZYWTUZGZBRNGQV-CYBMUJFWSA-N 364.471 2.344 0 40 FEAB CC(C)CNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858300 LDPKZMCOAQVCLL-SNVBAGLBSA-N 358.847 2.038 0 40 FEAB NC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1F 8855870 IJANQWISBVNHRN-UHFFFAOYSA-N 350.733 2.374 0 40 FEAB O=C(Cn1ncn2nccc2c1=O)O[C@H]1CCC[C@H]1c1ccc(Cl)cc1 70866051 DRLFPFLVNLNPAK-HOCLYGCPSA-N 372.812 2.424 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)c1ccccc1N1CCCC1=O 19175072 REFVVYQDEFCVRC-UHFFFAOYSA-N 363.377 2.146 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1cccc(F)c1 9111997 JACMJXIIJNWYKM-UHFFFAOYSA-N 359.357 2.161 0 40 FEAB Cn1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O 71821424 UCRZTLKVBXSQGI-MRXNPFEDSA-N 371.437 2.460 0 40 FEAB CC1CCN(C(=O)c2ccc(N3CCC[C@H]3c3nncn3C)nc2)CC1 95453341 GLIVBFQFNSHUBO-INIZCTEOSA-N 354.458 2.424 0 40 FEAB COCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 95998527 YQZVWAXLWGXSHF-KRWDZBQOSA-N 359.426 2.044 0 40 FEAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CC[C@H](C)O 75092852 QOKUZFRELZRPRF-GOEBONIOSA-N 352.500 2.076 0 40 FEAB Cn1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)n1 306134320 NIWJCWNVKGSVPI-GOSISDBHSA-N 369.450 2.160 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(Cc3cncn3C)C2)C1 306144888 ZRMVIBAWNBUBOS-QUCCMNQESA-N 355.486 2.071 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70997490 ZAYXABMNWYZWQJ-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB COCCN(Cc1ccncc1)C(=O)NCc1ccc(OC)c(OC)c1 62018229 NTLGONBIXHWHRC-UHFFFAOYSA-N 359.426 2.457 0 40 FEAB CCCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 41115592 ABYVANOZXINPJP-INIZCTEOSA-N 360.907 2.433 0 40 FEAB CCOc1ccccc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O 223649396 OMVHKNDJGZBAFF-UHFFFAOYSA-N 366.483 2.468 0 40 FEAB COc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1OC 224205731 IZGNYIZZDUKEOH-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCc1cccs1 96209381 JBPVEYNPSHTAOC-XYJFISCASA-N 357.479 2.439 0 40 FEAB O=C([C@H]1CCCO1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 96239634 YHYQYMJCZMHPQM-RHSMWYFYSA-N 351.397 2.325 0 40 FEAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2cccnc2)CC3)c1 96051716 ZBCLUNKRBSJAIO-QGZVFWFLSA-N 352.438 2.235 0 40 FEAB O=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96158397 HWHUJXDLHJEGTK-UHFFFAOYSA-N 358.486 2.212 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1nccs1)C2 96240028 WVYFKGJIXWNOLA-UHFFFAOYSA-N 358.467 2.297 0 40 FEAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)ncn1 257330432 XOKQOEMSUJTTSC-ZDUSSCGKSA-N 356.401 2.070 0 40 FEAB CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)on1 257290488 QDDXJUZGMBAINC-BBRMVZONSA-N 357.410 2.022 0 40 FEAB Cc1ccn(-c2ccc(NC(=O)[C@](C)(O)Cn3c(C)cccc3=O)cc2)n1 585082126 KGAYNFUULATCOD-HXUWFJFHSA-N 366.421 2.041 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCCSC[C@@H]2CN(C)C)cc1C 90608992 YWZGPDUBIIEPQF-HNNXBMFYSA-N 372.556 2.452 0 40 FEAB COC[C@H](C)n1c(SC[C@@]2(O)CCCOC2)nc2ccccc2c1=O 656692601 BXZIDIPGXAJNPR-SCLBCKFNSA-N 364.467 2.238 0 40 FEAB C[C@@H]1[C@H](NC(=O)N(C)CC2=CCCOC2)CC(=O)N1Cc1ccccc1 661126509 PBFIKMQIZWEHCP-CRAIPNDOSA-N 357.454 2.164 0 40 FEAB O=C(CN1CCC(Nc2ncccc2C(=O)O)CC1)Nc1ccccc1 643846874 CXSMUJFONOHPEO-UHFFFAOYSA-N 354.410 2.295 0 40 FEAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cc3ccnc(C)c3)CCO2)cc1 585277255 LLVLOVWCCRNOEU-NRFANRHFSA-N 354.450 2.074 0 40 FEAB CS(=O)(=O)NC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1 1650997142 UKBRQZLQPWKVJQ-UHFFFAOYSA-N 360.361 2.141 0 40 FEAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)N1CCOCC1 1265404 QXIGOTZGDUFANA-DUEVJXGLSA-N 358.419 2.138 0 40 FEAB O=C(COC(=O)c1ccoc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 11537816 VCJLOJUFVYVNNE-UHFFFAOYSA-N 359.306 2.071 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2ccc(C)cc2)c1 12735635 KEGYRSCMZKNWBR-UHFFFAOYSA-N 364.467 2.266 0 40 FEAB COCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583442 YATATHQIJRAZOU-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OC 14291906 LAWFFHNHYPGRPN-UHFFFAOYSA-N 362.451 2.314 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1 14848728 FLGGKXPNCKBZPI-UHFFFAOYSA-N 360.502 2.386 0 40 FEAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 15197748 QWVZSPBFGBUKKW-SJCJKPOMSA-N 361.419 2.107 0 40 FEAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15198241 LQRGVYSAJIEZSK-GFCCVEGCSA-N 351.399 2.485 0 40 FEAB Cc1ccn(CCC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)n1 19238052 GDVZKDCDIUESMG-UHFFFAOYSA-N 365.437 2.224 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(F)cc1 19291209 COHRLYXSFJFRQE-QGZVFWFLSA-N 366.396 2.256 0 40 FEAB COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C)CC1 19589942 CJUQJEDLYDLSER-SFHVURJKSA-N 356.474 2.134 0 40 FEAB O=C(C[C@H]1SC2=NCCN2C1=O)NCC1(c2ccccc2Cl)CC1 19661208 BWLZRRNZCZDZAW-CYBMUJFWSA-N 363.870 2.192 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccc3nsnc3c2)cn1)NC1CCCC1 19746186 YWQVWUDTLMZAGF-UHFFFAOYSA-N 370.438 2.199 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(C)o1 657076699 PXGCBHFVELIYRC-XJKSGUPXSA-N 353.444 2.251 0 40 FEAB CN1C[C@H](c2cc(=O)[nH]c(N3CCC(Cc4ccccc4)CC3)n2)CC1=O 19587496 RVFJPMMDIICHER-QGZVFWFLSA-N 366.465 2.175 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)no1 1888843957 HNVFOQOLBJZDHG-QWRGUYRKSA-N 367.331 2.000 0 40 FEAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)on3)C2)nn1 1888890373 FUVZXQILXOTGAZ-CQSZACIVSA-N 365.393 2.376 0 40 FEAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5)C[C@@H]4C3)nn12 1888906308 XCRXBQCDSVBZSQ-GJZGRUSLSA-N 363.425 2.033 0 40 FEAB CC(=O)N1CCC(N2CC[C@H](O)[C@@H](Oc3cccc(F)c3)CC2)CC1 1848356876 CDDSPSBXKOSMBY-OALUTQOASA-N 350.434 2.041 0 40 FEAB COC(=O)c1cccc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c1 31183550 SOZMTNFURVZVBM-INIZCTEOSA-N 370.405 2.184 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037912976 IWRFEBOSCWIJAT-NRFANRHFSA-N 371.481 2.495 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2cccc(F)c2)cn1 2056224942 HSQRBIAZHRODLH-YJYMSZOUSA-N 355.369 2.473 0 40 FEAB Cn1cncc1CN1C[C@H](C(=O)NCCC(C)(C)C)C2(CCOCC2)C1 1565541638 KISQZAHIJFSCSS-QGZVFWFLSA-N 362.518 2.201 0 40 FEAB O=C(CC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(F)cc1F 15826675 WEUSWQUVOBKVNE-UHFFFAOYSA-N 351.334 2.316 0 40 FEAB O=C(CCc1ccccc1F)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 2055772853 NDAWPHDTIGNQPG-WIYYLYMNSA-N 374.456 2.388 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 4280371 CLSRKRMYLZWCAF-UHFFFAOYSA-N 361.398 2.143 0 40 FEAB CCc1nnc(-c2cccc(OCC(=O)Nc3ccc(C(N)=O)cc3)c2)o1 12443776 LFQJULFZWQOCSO-UHFFFAOYSA-N 366.377 2.415 0 40 FEAB CCOc1ccc(NS(=O)(=O)CN2C(=O)c3ccccc3C2=O)cc1 59499325 HZHRTLAHGCSMRX-UHFFFAOYSA-N 360.391 2.081 0 40 FEAB Cc1sc2ncn(CC(=O)NC[C@@H](c3ccco3)N(C)C)c(=O)c2c1C 40159638 XEKUQDRCJDCESM-ZDUSSCGKSA-N 374.466 2.087 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnccn3)cc2)C1 879118 FJBWNHHGLGQPDD-CYBMUJFWSA-N 360.439 2.150 0 40 FEAB COc1ccccc1NC(=O)Cn1cc(I)cn1 1432080 FZYOGBRULOTBOI-UHFFFAOYSA-N 357.151 2.135 0 40 FEAB CCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 4384490 GBIPJNRYDAKHGU-UHFFFAOYSA-N 367.858 2.062 0 40 FEAB CCC[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC(C)(C)C 4898653 FNJHVSBXLUSCAD-OAHLLOKOSA-N 362.426 2.039 0 40 FEAB Cc1cccc(NCCN[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)O)c1 8414783 VSKFKGBPDALIJI-KRWDZBQOSA-N 357.410 2.184 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2S(C)(=O)=O)c1 32754266 QHKVJXCLKWBGBD-UHFFFAOYSA-N 350.371 2.440 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)NCCCN3CCC[C@@H](C)C3)CC2=O)c1 32931219 YEDRDEYZDJTZDM-SJORKVTESA-N 373.497 2.286 0 40 FEAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)COc2ccccc21 9645378 AMUWCXOWAIVLLS-UHFFFAOYSA-N 354.362 2.227 0 40 FEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 59835313 NAUUCYUHFDPVDG-MRXNPFEDSA-N 358.438 2.475 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCc2ccccc21 42043176 UITSRKBLXIKOCX-RDJZCZTQSA-N 350.484 2.037 0 40 FEAB Cn1c(=O)c2nc(Cl)n(Cc3ccc(C(C)(C)C)cc3)c2n(C)c1=O 984109 ULNFVZGCIMAOTE-UHFFFAOYSA-N 360.845 2.433 0 40 FEAB CC(=O)N1CC[C@@H](CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)C1 89545023 RMZZSYWQBLTLQY-HNNXBMFYSA-N 358.417 2.260 0 40 FEAB CC(C)n1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 172332816 ZMOXNAQRKYFTDU-UHFFFAOYSA-N 366.462 2.110 0 40 FEAB CC(C)C(=O)NCCNC(=O)N(C)Cc1ccc(Br)cc1 26249377 BMXYZFVQURPRDC-UHFFFAOYSA-N 356.264 2.363 0 40 FEAB COc1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)c(OC)c1OC 75108038 MNHJYSLUPSOYHL-UHFFFAOYSA-N 352.431 2.421 0 40 FEAB CN1CCN(CCCNS(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 26873836 ZHTWITVXWDJZMD-HXUWFJFHSA-N 373.522 2.344 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 58196846 FCZIXGSKISCUMY-BBWFWOEESA-N 362.470 2.174 0 40 FEAB O=C(NCCCNS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1F 58191645 UDRJXMKXTAYIEP-UHFFFAOYSA-N 372.368 2.202 0 40 FEAB Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3nc[nH]n3)c12 58162905 PMNLQLPTKVAXTH-UHFFFAOYSA-N 360.381 2.372 0 40 FEAB Cc1nnc(NC(=O)CCCCCn2nnc3ccccc3c2=O)s1 36357473 KDUAAFQEPXSBCC-UHFFFAOYSA-N 358.427 2.151 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3294859 AKOKTZCDSLJCJJ-UHFFFAOYSA-N 355.341 2.337 0 40 FEAB CC(C)Cn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O 3493877 WJUDFIGNCCYGPQ-UHFFFAOYSA-N 361.467 2.003 0 40 FEAB CCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12982865 HQLCVWGWICXXMK-OAHLLOKOSA-N 353.488 2.032 0 40 FEAB Cn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccco1 3559178 FVXITENHKNVVBX-UHFFFAOYSA-N 363.443 2.326 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1C 3587378 BFTLDTLCCMOXAD-UHFFFAOYSA-N 370.361 2.205 0 40 FEAB O=C(CCn1ccc2ccc(F)cc21)NCCNC(=O)c1ccncc1 13731312 AYUYPBJDDYBJMJ-UHFFFAOYSA-N 354.385 2.112 0 40 FEAB O=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1ccc(F)cc1 65197737 CQHSKWPCCNVUAK-UHFFFAOYSA-N 368.368 2.381 0 40 FEAB CN(CCOc1ccccc1Cl)C(=O)c1cnc2n(c1=O)CCS2 14169315 FYFYBUNXSWDTNR-UHFFFAOYSA-N 365.842 2.153 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1n[nH]c(=O)c2ccccc12 14139571 FNSPGXQKUGFCKQ-INIZCTEOSA-N 366.421 2.473 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2F)n(C)c1 9048580 CPMSQMZGVDIOQT-UHFFFAOYSA-N 367.446 2.125 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1OC 4966151 YNOJHFHIKHNHAY-INIZCTEOSA-N 370.453 2.069 0 40 FEAB CCn1nnc2cc(C(=O)NC[C@H](c3ccccc3OC)N(C)C)ccc21 6941688 QCPUBLUBEZBVQE-GOSISDBHSA-N 367.453 2.493 0 40 FEAB C[C@H](NC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3)C(=O)N1CCOCC1 68791770 ZURBVNRCPRPGGJ-KGLIPLIRSA-N 369.465 2.270 0 40 FEAB CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NC[C@@H]1CCCO1 89943609 TZQWWKATSZOTEO-HOTGVXAUSA-N 368.499 2.334 0 40 FEAB COc1ccc(CCC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1F 75590448 RZWYXMJNSXLLGB-OAHLLOKOSA-N 356.397 2.458 0 40 FEAB O=C(Nc1cccc(O)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 96965304 UZRLAHCVSMXCCB-GFCCVEGCSA-N 366.464 2.493 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(Br)cc1 97230313 DFKLMNPQPLXLDE-HUUCEWRRSA-N 355.276 2.425 0 40 FEAB CCn1cc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)ccc1=O 78086454 UHDBTGPQLHXLCJ-HNNXBMFYSA-N 362.474 2.274 0 40 FEAB O=C(NC[C@H]1CCOC1)C(=O)Nc1ccc(N2CCc3ccccc32)cc1 84582050 FQUMMAPLHASDBK-OAHLLOKOSA-N 365.433 2.472 0 40 FEAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3CC(N)=O)ccc2c1 95466744 YEFUGSDBGWDBSM-GOSISDBHSA-N 369.465 2.147 0 40 FEAB CNCC1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 95996595 FSTGOKZJDILMLQ-UHFFFAOYSA-N 373.478 2.050 0 40 FEAB CCOc1c(Br)cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc1OC 62714718 HCDIHXCRPYKVQE-CYNONHLPSA-N 372.215 2.459 0 40 FEAB CCNc1nc(Sc2cc(C)nc(Cl)n2)nc(N2CCOCC2)n1 4501763 ITCFBBMGEKSCEY-UHFFFAOYSA-N 367.866 2.043 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccccc1 524730825 YPZULNPGRGRLOB-CDXJDZJCSA-N 350.418 2.455 0 40 FEAB biogenic O=C(c1cscn1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327398 ROIVYTJEOHVUFP-NWDGAFQWSA-N 352.419 2.083 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)nn2)nc1C 75172621 OMDJDECSLFAFOX-UHFFFAOYSA-N 361.427 2.271 0 40 FEAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223574180 GNMGAQYKJBWNPH-QZTJIDSGSA-N 374.510 2.111 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CCCCC1)CC2 96254851 HABKSFXITWIRRS-UHFFFAOYSA-N 358.486 2.129 0 40 FEAB O=C(c1cccs1)N1CCOC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96052036 YMPUZYUPNBJMOE-CRAIPNDOSA-N 350.484 2.092 0 40 FEAB Cn1nnc(-c2ccc(OCC(=O)Nc3ccc4ccn(C)c4c3)cc2)n1 95472986 UCOMAFVCTGCBRZ-UHFFFAOYSA-N 362.393 2.386 0 40 FEAB O=C(NCCc1cncnc1)C1(c2ccc3c(c2)OCCO3)CCCC1 529935466 PHPQZIJKTZGLTK-UHFFFAOYSA-N 353.422 2.419 0 40 FEAB Cc1ccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)nn1 96229182 AEYXNFRLGARBDQ-FQEVSTJZSA-N 353.470 2.299 0 40 FEAB Cc1occc1C(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96048524 LVKBHOCCZFKDGJ-KDOFPFPSSA-N 360.389 2.393 0 40 FEAB Cc1ccc(N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)nn1 96078874 NNJSWPCSJVVMGU-UHFFFAOYSA-N 358.467 2.103 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 95533203 YMLVJQDQZDAEFW-MIALQEHNSA-N 368.518 2.353 0 40 FEAB O=C(O)COc1ccc(CCNC(=O)[C@H]2CSc3ccccc3O2)cc1 583650523 AFRSGJDQYZEITI-MRXNPFEDSA-N 373.430 2.362 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1 252501339 UEKWMQCOKQZZFS-GOSISDBHSA-N 352.390 2.428 0 40 FEAB COc1ncccc1C(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1 257203743 ARLWCJYCSQQQAL-QGZVFWFLSA-N 354.410 2.099 0 40 FEAB Cn1c(=O)nc(O)c2nc(/C=C/c3cccc(Cl)c3Cl)c(=O)[nH]c21 585152459 KCGAUIJHGVJQFG-AATRIKPKSA-N 365.176 2.200 0 40 FEAB COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2c2nc(C)no2)C1 637548180 DHZCIDBHBBZYJF-UNEWFSDZSA-N 372.425 2.416 0 40 FEAB O=C([C@H]1CCCc2nn[nH]c21)N1CCC(n2c(O)nc3ccccc32)CC1 646594676 BBHRWDMLYLWMNJ-ZDUSSCGKSA-N 366.425 2.144 0 40 FEAB CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccccc2Cl)CC1 670416120 MVXAUUMIUANMPK-GFCCVEGCSA-N 373.844 2.062 0 40 FEAB CCOc1cc(C(=O)NCCCN(C(=O)c2ccc(C)nc2)C2CC2)on1 1775996804 JCQQAVHQLIXKOW-UHFFFAOYSA-N 372.425 2.201 0 40 FEAB Cc1noc(Cc2ccccc2NC(=O)CNC(=O)c2ccccc2)n1 96097026 QZCGHXKCBLAHBU-UHFFFAOYSA-N 350.378 2.337 0 40 FEAB CNC(=O)[C@@]1(C)CCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585284065 RDWLTVBJSRFODL-IBGZPJMESA-N 363.477 2.005 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@@H]12 585109675 ZFHPYAXAPLTDAF-ZACQAIPSSA-N 356.447 2.294 0 40 FEAB Cc1noc(C2CN(CC(=O)N3CCC(Cc4ccccc4)CC3)C2)n1 49482555 IBRVFHRDBZBNSA-UHFFFAOYSA-N 354.454 2.259 0 40 FEAB COc1ccc(CC(=O)N2CCCN([C@H]3CCSC3)CC2)cc1OC 1565522738 YXRHXMBWIXIMJP-INIZCTEOSA-N 364.511 2.286 0 40 FEAB COC1CN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)C1 1772595556 FQYWRMWZWZJKOV-AOIWGVFYSA-N 360.429 2.074 0 40 FEAB CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 5778713 CWXPNMWQMWIWBA-MRXNPFEDSA-N 372.446 2.407 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(OC)c1 12978093 QCIWZDNWOIJJKB-KDOFPFPSSA-N 364.467 2.116 0 40 FEAB CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19085832 XGKQIGOWEWLDTD-OAQYLSRUSA-N 367.449 2.030 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@@H]2CCCOC2)n1 19457465 FOBNWFYHHYXPLZ-RYUDHWBXSA-N 351.838 2.262 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)nc(O)c2C1 19590273 JCJUNQOFBBQPIJ-CYBMUJFWSA-N 370.428 2.329 0 40 FEAB CNC(=O)c1c(NCc2cccc(OCc3cccnc3)c2)cnn1C 12238347 WYDNSSJTESJYLD-UHFFFAOYSA-N 351.410 2.366 0 40 FEAB COc1ccc(CN2CCN(c3cc(C)nc(N(C)C)n3)CC2)cc1F 1889128332 AFNAKSMXUHGFPZ-UHFFFAOYSA-N 359.449 2.321 0 40 FEAB COc1ccc(C)cc1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 25432965 KVRHMJNNLBKBKW-UHFFFAOYSA-N 353.378 2.308 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 1641515401 AIUARQCVGMODPU-OAHLLOKOSA-N 367.380 2.486 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)c(C)n23)n(C)c1=O 4250781 TXUMLEIAZAXOQL-UHFFFAOYSA-N 365.437 2.392 0 40 FEAB Cc1nnc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)s1 4326038 ONTZOOVUAIFICD-UHFFFAOYSA-N 360.370 2.028 0 40 FEAB Cc1ccc(-c2noc(CSc3nc(C)c(CCO)c(=O)[nH]3)n2)cc1 12415011 FEOGYRUKNONIHC-UHFFFAOYSA-N 358.423 2.264 0 40 FEAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 17178601 JLAHUNDHVBEVKD-IBGZPJMESA-N 373.497 2.015 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)C3CCC3)CC2)c1 2055750707 RJJFUEXAPCATQP-UHFFFAOYSA-N 359.470 2.357 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccccc1 22767290 ZIFBZBZDATWMCH-MRXNPFEDSA-N 352.481 2.100 0 40 FEAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)N[C@H](C)C(=O)O 16020228 SOJVTVARKODFLQ-LLVKDONJSA-N 366.377 2.493 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116785 PZYFHGAKLMIYDP-INIZCTEOSA-N 371.359 2.245 0 40 FEAB Cc1cc(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1Cl 10929142 KYWIEFGMTSZMOK-UHFFFAOYSA-N 359.769 2.196 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 29207360 PHGDNGOWNXJGAP-LJQANCHMSA-N 372.490 2.436 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 3519932 KIAZYMIFMUBVFZ-UHFFFAOYSA-N 368.345 2.016 0 40 FEAB O=C(NCc1ccccc1)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 4981832 GXCARENKVWLPKV-KRWDZBQOSA-N 359.470 2.484 0 40 FEAB C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 4984970 DBKIYMMKUVZIGI-YOEHRIQHSA-N 355.438 2.039 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(C(F)(F)F)c1)CC(O)=N2 20738262 VTBNTNKWHZKAKF-JTQLQIEISA-N 353.300 2.226 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]21 100864031 JWCLYULVJORWMV-IOQCUFBNSA-N 352.173 2.277 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 10128214 KPYKOQWCHLOEEP-SFHVURJKSA-N 360.479 2.409 0 40 FEAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)no1 52435640 YZFRCXNIYXGVOU-MRVPVSSYSA-N 362.329 2.342 0 40 FEAB C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 2633044 RVVFEISEXJUCPQ-KBXCAEBGSA-N 365.433 2.090 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 21895308 MGONRAZAZBKBCT-GJZGRUSLSA-N 368.499 2.258 0 40 FEAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 103503646 UPTRBEJUXTVCRA-GRDNDAEWSA-N 366.458 2.095 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)c[nH]1 22831821 SBVBHXFNPXPGNN-UHFFFAOYSA-N 352.379 2.366 0 40 FEAB O=C(CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc(F)cc1 104652149 JTMZDKJFEYAGDZ-OQLLNIDSSA-N 355.325 2.063 0 40 FEAB O=C(NC1CCCCC1)c1cc(Br)ccc1-n1cnnn1 12391311 LACBKHPDIDIYDI-UHFFFAOYSA-N 350.220 2.487 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)n3ccnc3)nn2c(O)c1C 100138828 QJUFVMRCRFDAIP-HIFRSBDPSA-N 354.414 2.173 0 40 FEAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc3c(c2)CCO3)ccc1F 24462684 IVBVZOTWJPVVQM-UHFFFAOYSA-N 350.371 2.384 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(=O)n2c(C)csc2n1 106061563 RHADBZSPOIPCNF-QEJZJMRPSA-N 361.467 2.371 0 40 FEAB O=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 12599478 CTSTTYCRLWMNFJ-GJZGRUSLSA-N 363.435 2.241 0 40 FEAB COc1ccccc1CCNC(=O)c1cc(C)ccc1NS(C)(=O)=O 25057570 GFHUWGOGIOGJJU-UHFFFAOYSA-N 362.451 2.348 0 40 FEAB CCOc1cccc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)n1 106874533 SQDLQISVNUHRKM-UHFFFAOYSA-N 355.398 2.446 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103045833 HVXWXKTXPUSNJR-BHWMQLMCSA-N 374.824 2.403 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 107326809 FROOIWUPOHVXFR-RWMBFGLXSA-N 353.440 2.335 0 40 FEAB CN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1 58325606 CGDIMZGBXBYYEH-KRWDZBQOSA-N 372.490 2.435 0 40 FEAB Cc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc(S(N)(=O)=O)c1C 10685837 AZQYPBJSLLFWIS-CYBMUJFWSA-N 361.419 2.379 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc3ccccn23)C1 12793799 KMFIQYWHXVZEAV-PBHICJAKSA-N 364.405 2.275 0 40 FEAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12846991 CQDBZAVZDBWITE-UHFFFAOYSA-N 358.785 2.268 0 40 FEAB CC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497560 DBHQMVSXMLWXJG-KRWDZBQOSA-N 355.346 2.211 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1n[nH]c(=O)c2ccccc12 7986427 KONWRXXQSLIKAK-UHFFFAOYSA-N 365.389 2.357 0 40 FEAB COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2C)c(OC)c1 12904753 DMUFQRFNFJOYIP-UHFFFAOYSA-N 353.382 2.169 0 40 FEAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3ccsc3c2=O)cc1 12904317 KZWAIZXGHVZSKM-HNNXBMFYSA-N 372.446 2.420 0 40 FEAB CCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@@](O)(C(F)(F)F)C1 20059981 DAAWLMYWKNEFMT-HNNXBMFYSA-N 373.331 2.273 0 40 FEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2F)no1 6260647 MUEQCYAJYDNONE-NSHDSACASA-N 351.403 2.499 0 40 FEAB COc1ccc(C(=O)N[C@H](C)c2ccco2)cc1S(=O)(=O)NC1CC1 8328623 JTSKREQRGSKAKG-LLVKDONJSA-N 364.423 2.220 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 6787796 XFXVQEVSIAOWDN-HNNXBMFYSA-N 368.437 2.002 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 14812885 HMMMTSLBZWEOTA-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB COC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2C(C)C)cc1 15320068 URKNAWHGEJMLSB-ZCXUNETKSA-N 362.407 2.296 0 40 FEAB Cc1occc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)n1C 18179241 IPBJFMVIDJMAGK-PHIMTYICSA-N 350.444 2.111 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nnc2n1CCNCC2 67678508 RWLJFPBNQIQGGW-SFHVURJKSA-N 364.453 2.099 0 40 FEAB COC(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3C2)cc(C(=O)OC)c1 9882563 WQFOQIWDNHJMAL-HNNXBMFYSA-N 369.373 2.450 0 40 FEAB COCCOC1CN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 76094629 LDRGUWSCRCHONQ-IBGZPJMESA-N 368.433 2.032 0 40 FEAB O=C(O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(Cl)cc1 95399178 HDCNIWADTYCINT-DZGCQCFKSA-N 364.829 2.231 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1OCC 408587984 VOJUCMZMAQNIMR-LBPRGKRZSA-N 372.443 2.111 0 40 FEAB CC(C)C(=O)N1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 36393221 QGDDZIWNXFMASN-LJQANCHMSA-N 363.477 2.439 0 40 FEAB CSc1nc(OC[C@H]2CCCCN2)cc(OC[C@H]2CCCCN2)n1 72203283 JZOZFXCIMFTPFG-ZIAGYGMSSA-N 352.504 2.240 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980352 PPXZGGBAVKUGND-XZVRFQMRSA-N 358.438 2.214 0 40 FEAB O=C(CN1CCCC1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 39976077 KQWKQNQEBIHBPF-UHFFFAOYSA-N 359.407 2.142 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](c2cccc(F)c2)C1(CO)CO 218551015 NVHUUZYOMJIOAM-CVEARBPZSA-N 370.829 2.390 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1-n1cnnn1 32763744 QTFDITNAPKMPTI-UHFFFAOYSA-N 367.800 2.165 0 40 FEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 40979384 HEKKWIJRUQUWCN-MRXNPFEDSA-N 373.413 2.323 0 40 FEAB biogenic COc1ccccc1CNC(=O)CN1CCN(c2ccccc2F)C1=O 49026157 OMKNZUPPVPMVLE-UHFFFAOYSA-N 357.385 2.393 0 40 FEAB Cc1csc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)n1 223350047 HMLDGKUPUIKZAV-UHFFFAOYSA-N 359.816 2.351 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)n1 96061256 XEGRJWPERHSFRP-QGZVFWFLSA-N 357.454 2.166 0 40 FEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)cs1 96239365 AHTZVRBZXYAUFX-SFHVURJKSA-N 356.451 2.111 0 40 FEAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 247955915 VGVFJBUGDNOYBY-FGTMMUONSA-N 364.445 2.029 0 40 FEAB CCn1cc(CN2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)c(C)n1 257224155 FANNEJZVWBLHBP-CQSZACIVSA-N 351.476 2.065 0 40 FEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC[C@H]2CCCO2)Nc2ccccc21 257228329 FTKQZEGZNOQBTM-XDRXCXCGSA-N 369.465 2.270 0 40 FEAB Cc1nc(OCC(=O)NCc2ccccc2Cl)cc(-n2cccn2)n1 85557306 BRDLQSCDJVDLRC-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)N[C@@H](CO)c2cccc(F)c2)c1 604611398 ALJZCHWTNRBFOJ-HNNXBMFYSA-N 352.387 2.084 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CC[C@H](c3ccccc3)[C@H](CO)C1)CS2 618453061 GLYGTUBRACXLAZ-PFRQMTDMSA-N 374.506 2.065 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3cc4nccnc4cc3F)C[C@@H](C)O2)o1 619281973 NHXUAXLNGSKHMA-RFAUZJTJSA-N 357.345 2.063 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 619315735 SSVUFMDDVXIDOU-XJKSGUPXSA-N 353.378 2.034 0 40 FEAB O=C(O)[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)[C@@H]1CCCO1 630424709 XWOMYZSPRLXXBU-DLBZAZTESA-N 361.419 2.264 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2nc3ccccc3n2C)C1 1775957247 KOUPWJBIGRLSBI-CJNGLKHVSA-N 352.442 2.073 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N2CCCCC2=O)cc1 96025619 PUYIWQQSHPYJRH-UHFFFAOYSA-N 362.455 2.355 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCCc2ccccc21 44364225 NXTJZRYMBDDHNS-HNNXBMFYSA-N 360.435 2.401 0 40 FEAB O=C(CCn1ncc(=O)c2ccccc21)OCC(=O)N1CCCCCCC1 53033176 ALMLLRYGQXOUJB-UHFFFAOYSA-N 371.437 2.123 0 40 FEAB CN[C@@H]1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)C1 97019463 MYUTZLNEURUYAE-OAHLLOKOSA-N 373.526 2.345 0 40 FEAB CO[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1c1cnn[nH]1 668577057 QKCINCLVNUMKHN-GOEBONIOSA-N 358.833 2.463 0 40 FEAB CC(C)c1noc(CN2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)n1 585612858 NCCOHDGUDQIWEX-GASCZTMLSA-N 354.458 2.429 0 40 FEAB Cn1c(CN2CC3(CC(=O)N(Cc4ccccc4)O3)C2)nc2ccccc21 1549166940 KSOXBLCVIHVAMW-UHFFFAOYSA-N 362.433 2.492 0 40 FEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc2c(c1)OCO2 12182704 BAQQXIVJPKNASM-OAHLLOKOSA-N 365.389 2.334 0 40 FEAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12906205 LWKTYZYRNNVPER-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccc(Cl)c(Cl)c1 13636915 UCZXXVUBFFVERX-ZJUUUORDSA-N 363.222 2.007 0 40 FEAB CC[C@H](C(=O)N[C@@H](C)COC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714962 FWSPZOUSFYAREK-SMDDNHRTSA-N 362.879 2.036 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)C[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 17075305 WJXZXBZHONCJPI-ZFCANOHDSA-N 366.502 2.162 0 40 FEAB COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 19554587 WTAPLUFZKQAQJO-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CC1CCN(c2ncc(-c3cncn3[C@H](C)CN3CCOCC3)cn2)CC1 19719981 VPPHBBPBAMNCOJ-QGZVFWFLSA-N 370.501 2.470 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1 4937987 DAPAXWXOBRTSGJ-SECBINFHSA-N 368.390 2.287 0 40 FEAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)n1 2056224493 SEVAEDJNIIFKCB-LJQANCHMSA-N 354.458 2.041 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(Cc4scnc4C)C[C@@H]32)cs1 2056224656 OMKLEVQPSBFLNV-GJZGRUSLSA-N 350.513 2.302 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565523123 YXRWXLBHYQGTQT-QGZVFWFLSA-N 366.527 2.469 0 40 FEAB COc1ccc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)cc1 4518857 RQDIWRSFWFANJE-UHFFFAOYSA-N 373.390 2.288 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2S1(=O)=O 4940762 LBZYAJRPGIOYLH-SECBINFHSA-N 366.345 2.137 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3)CC2=O)cc1OC 5202082 DIXKEKAFJVUSSW-HNNXBMFYSA-N 369.421 2.309 0 40 FEAB CN(C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1 16047658 OIAQQFYABNECLP-AWEZNQCLSA-N 367.405 2.409 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713903 YGBHADRLFOZXCX-AWEZNQCLSA-N 372.494 2.450 0 40 FEAB O=C1Cc2cc(C(=O)N3CCC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)ccc2N1 2055830329 MIZMLSYCQVXFCD-DYESRHJHSA-N 370.449 2.372 0 40 FEAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCN(C)CC2)cc1 22582382 AXJYPLSKVAAONL-OAQYLSRUSA-N 367.493 2.479 0 40 FEAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2Cl)CC1 38490235 MJYURTNEQUYODN-UHFFFAOYSA-N 353.806 2.016 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[C@H]1c1ccccc1 121907253 REZBKXLWJJWOSH-SHJAMOMRSA-N 356.466 2.360 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)c1 40081887 HTQJVRDVDKQAQA-GOSISDBHSA-N 373.434 2.159 0 40 FEAB CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2ccn(C)c(=O)c2)c1 40150480 ZMNOMFQWTDUGGD-UHFFFAOYSA-N 362.451 2.062 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(OC(F)F)c1)CS2 50378957 PHBRRTUYPBMWLD-MLGOLLRUSA-N 356.394 2.358 0 40 FEAB COc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](O)c1ccc(F)cc1 67346333 DEIAWUJHTJCDSB-AWEZNQCLSA-N 366.776 2.276 0 40 FEAB O=C1O[C@@H](NC(=O)c2ccccc2)C(Br)=C1Br 984364 RRYYFWLAUVOENF-SNVBAGLBSA-N 360.989 2.301 0 40 FEAB CSc1ncc(Cl)c(C(=O)OCc2cc(=O)n3ccsc3n2)n1 11572394 GYNLGMCTVDMPRK-UHFFFAOYSA-N 368.827 2.278 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(C)ccc1OC 45822118 FVJOHQYMVGSPLC-IBGZPJMESA-N 353.422 2.340 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)NC1CC1 7272154 FDGZMPPEHLPMPZ-DOMZBBRYSA-N 366.483 2.444 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc2nc(-n3cccc3)sc2c1 20650484 HDCWPXVOZFMIFF-UHFFFAOYSA-N 356.451 2.149 0 40 FEAB CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 102094828 NVALCGNAJQNXPI-PFRQMTDMSA-N 357.406 2.325 0 40 FEAB Cc1cc(CN2CCNC(=O)[C@@H]2c2c(C)nn(-c3ccccc3)c2C)no1 32743475 KXTGNGAZZYRAHC-IBGZPJMESA-N 365.437 2.459 0 40 FEAB Cc1cc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)nn1C 9001894 KPSUNZJZXLQTNG-UHFFFAOYSA-N 359.430 2.440 0 40 FEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 32731358 AIYLUOUMMYDEDV-GDBMZVCRSA-N 370.405 2.258 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102205310 SHFFDPCSBXJBFC-PDUGZTPLSA-N 374.462 2.433 0 40 FEAB O=C(NCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 9233487 BBGIZZZUEKNRJB-UHFFFAOYSA-N 359.179 2.433 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccccc2s1 102363355 AGWNHRTXWPXBQI-NBLIUIFLSA-N 353.403 2.042 0 40 FEAB COc1cc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[nH]2)ccc1O 57525286 WZBFXPIRRCOCED-OAHLLOKOSA-N 367.409 2.496 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccccc1F 21131699 HPBWNUNBIWGRQP-GFCCVEGCSA-N 374.343 2.500 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1OC 32908497 ZGNRIIPKFGMDIF-MRXNPFEDSA-N 374.462 2.363 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc2C)c1 102608177 AOALFSXXHFNACC-AHCXZYCDSA-N 351.406 2.215 0 40 FEAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccccc1C(F)(F)F 41605927 FPBNKDXUYKWAFU-SECBINFHSA-N 374.344 2.399 0 40 FEAB COc1ccc(NC(=O)c2cccc(OS(=O)(=O)N(C)C)c2)cc1 3052346 LUXUEXDAQBVPHW-UHFFFAOYSA-N 350.396 2.133 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cnn(-c3ccccn3)c2C)ccn1 53398123 BTLGUGSGCNMALG-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C1CC1 75109600 PRPFEBJHINLGEC-LBPRGKRZSA-N 362.245 2.069 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 23682460 LITPXQAGHQGLKL-MRXNPFEDSA-N 368.433 2.416 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2F)c1 24061845 IOEYXNHUSLSRFG-UHFFFAOYSA-N 350.415 2.396 0 40 FEAB C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1 106153603 FXPWDYIXZKEGJR-JFIYKMOQSA-N 363.477 2.016 0 40 FEAB COc1cccc(CSc2nc(C)c(CC(=O)NC3CC3)c(=O)[nH]2)c1 23138547 BQWWNLUGQZUHFC-UHFFFAOYSA-N 359.451 2.200 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@H]1CCN(CC(F)(F)F)C1 106530882 NXRGODDPWFKMMV-GJZGRUSLSA-N 370.419 2.449 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CN(Cc2cnn(C)c2)C(C)C)c1 55921014 BXTCLDJZVDZXFK-UHFFFAOYSA-N 357.458 2.019 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(SC(F)F)cc3)cnc21 12616585 IJOGGDATLMHAKC-UHFFFAOYSA-N 365.365 2.083 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCC[C@@H](C(F)(F)F)C3)oc(C)c12 57858319 WACYKTWBQWXEEY-SNVBAGLBSA-N 372.347 2.346 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3C)C2=O)o1 58217998 WWWSGEALDNJNGT-FQEVSTJZSA-N 369.421 2.022 0 40 FEAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)[C@@H]1COc2ccccc2O1 12778661 PQUWUJLRRXREOJ-KRWDZBQOSA-N 363.377 2.454 0 40 FEAB CCOC(=O)c1c(NC(=O)C2=NNC(=O)CC2)sc2c1CC[C@H](C)C2 7698996 BVODWMRKIRGAOJ-VIFPVBQESA-N 363.439 2.254 0 40 FEAB Cc1cccc(COc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1 12948610 XROISZUDCSLOIC-KRWDZBQOSA-N 359.447 2.491 0 40 FEAB CSC[C@H](C(=O)OCc1c(C)noc1C)N1C(=O)c2ccccc2C1=O 7813869 DQKAIEACSLNVBY-OAHLLOKOSA-N 374.418 2.362 0 40 FEAB CC1(C)Cc2nc(NCCO)c(C(=O)NCc3ccccc3)cc2CO1 17251336 NMJRHUMDENMVOY-UHFFFAOYSA-N 355.438 2.267 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1Cc2ccccc2O1 39995679 DUFGANCPPNRMMD-FQEVSTJZSA-N 352.434 2.485 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CC3)cc2[nH]1 8326045 HJLAUVPBIFYCDG-UHFFFAOYSA-N 361.398 2.349 0 40 FEAB Cc1ccc2nc([C@H]3CCCN3C(=O)Cn3nnnc3C(C)C)[nH]c2c1 81935035 XDDIUGUMLCCXMS-OAHLLOKOSA-N 353.430 2.345 0 40 FEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@H](O)c1ccccc1 6659124 GWJFSDPDDYMKFZ-DYVFJYSZSA-N 353.374 2.410 0 40 FEAB biogenic CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O 4999891 WQNIXLNMRLRQQT-UHFFFAOYSA-N 351.406 2.439 0 40 FEAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCNC(=O)C2)c1 8987713 NHXARFOJBARQOT-UHFFFAOYSA-N 360.417 2.420 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3ccc(C(C)=O)cc3)n2n1 71287527 SFKPNELPZWXHAH-UHFFFAOYSA-N 353.382 2.297 0 40 FEAB COc1ccccc1N1C(=S)N(CCC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 9303169 DQBIMIFDTMNFSG-LSDHHAIUSA-N 368.524 2.314 0 40 FEAB CC1(C)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O 9483910 RJXISGXJGXIWNC-UHFFFAOYSA-N 365.187 2.330 0 40 FEAB C[C@H](NCc1cnn([C@@H]2CCS(=O)(=O)C2)c1)c1ccc(F)cc1F 79100028 YGKUCKYTRQJEJQ-SMDDNHRTSA-N 355.410 2.372 0 40 FEAB Cn1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21 79484006 GQBALZHSNLZIJQ-UHFFFAOYSA-N 374.437 2.450 0 40 FEAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(OCC3CC3)nc1)CC2 95939060 TTZAMVBKOOTUQU-HNNXBMFYSA-N 355.442 2.330 0 40 FEAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)NC(=O)C(C)(C)C 95977073 OGJDYOJLDIREIH-QWHCGFSZSA-N 355.479 2.005 0 40 FEAB CC1CCN(Cc2ccc(CNC(=O)Cn3ccccc3=O)cc2)CC1 32769514 KOVSWPZZMYDNFV-UHFFFAOYSA-N 353.466 2.397 0 40 FEAB O=C1S[C@H](CC(=O)N2CCCC[C@H]2CCO)C(=O)N1c1ccccc1 36635256 JWSVIVQPZCTWDP-DZGCQCFKSA-N 362.451 2.409 0 40 FEAB CC(C)c1nnc2c(N3CCC[C@H](CNC(=O)c4ccco4)C3)nccn12 509459794 QGWFLTDIWWPVFZ-CQSZACIVSA-N 368.441 2.487 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)[C@@H]2C1 408686730 SRCKDNNRWPUCEM-IAGOWNOFSA-N 354.406 2.005 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217659834 JVVQFXFSFPVNFU-STQMWFEESA-N 370.471 2.443 0 40 FEAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217630121 JZZCBCJCKRMGHI-NEPJUHHUSA-N 356.444 2.053 0 40 FEAB Cn1cc(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 71195639 MPIQRQKODYPATN-MRXNPFEDSA-N 350.426 2.127 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)c1ccc2nsnc2c1 70930419 SNEQLQQGQKEQGZ-UHFFFAOYSA-N 354.439 2.128 0 40 FEAB CCc1ccc(CNC(=O)c2snc(C(=O)N3CCCC3)c2N)cc1 62006793 FOLZLDWYCZZNCB-UHFFFAOYSA-N 358.467 2.454 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NCCSc1nc(-c2ccccc2)n[nH]1 225884164 HEPZYGDWOMPRLG-UHFFFAOYSA-N 356.455 2.344 0 40 FEAB CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]21 96318855 HDHIZXDDRJMVJT-JFGNBEQYSA-N 363.416 2.141 0 40 FEAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(c1ncccn1)CC2 96260573 WSBONIKKKUROFW-UHFFFAOYSA-N 366.469 2.001 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 96227316 YDUUOEDIJZCELO-WBVHZDCISA-N 354.447 2.462 0 40 FEAB O=C(CC1CC1)NCC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2 96208609 MAINYVLLBFQGCE-QUCCMNQESA-N 350.503 2.200 0 40 FEAB COc1ccc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cc1 96047424 VHCQDBIUATURQR-GOSISDBHSA-N 352.500 2.475 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCc2nc(C)no2)cc1 583616242 ZASLTSUKSAXZMR-LPHOPBHVSA-N 359.426 2.218 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCc2ccncn2)cc1 583622016 WPNRKGDOPZLJBZ-UYAOXDASSA-N 355.438 2.317 0 40 FEAB COc1ccccc1Cc1cncc(C(=O)N2CCC(C)(C(N)=O)CC2)c1 257236621 HCZROBWFXLTURX-UHFFFAOYSA-N 367.449 2.409 0 40 FEAB CCn1nc(C)c(CN2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c1C 257250454 JMOVQECMGFHQDZ-GOSISDBHSA-N 356.474 2.283 0 40 FEAB COCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257263668 LQYKHRLEVKSPHR-QFBILLFUSA-N 366.408 2.356 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2ncccn2)CC1 85557103 MCPMHVPFCZNTFG-HWKANZROSA-N 353.378 2.289 0 40 FEAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 647585449 QSVJKLMKBHKWBX-NCOADZHNSA-N 358.438 2.199 0 40 FEAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2cc[nH]c12 656857867 YRDOQJVUYSTVIX-RDTXWAMCSA-N 351.410 2.134 0 40 FEAB Cn1ccnc1[C@@H]1[C@@H](CN=c2cc[nH]cc2Cl)CCC(=O)N1C1CC1 664659332 BDQSZPUDQZRZFJ-PXAZEXFGSA-N 359.861 2.445 0 40 FEAB O=C(NCCOCCN1C(=O)CCC1=O)c1ccc(-c2cccs2)cc1 575619172 IHRRGGBQYQYWST-UHFFFAOYSA-N 372.446 2.311 0 40 FEAB O=C(c1ccncc1F)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414544 AZOHDGKBGMNQKK-CQSZACIVSA-N 354.428 2.284 0 40 FEAB Cn1cc(-c2cc(F)ccc2NC(=O)NCc2nnn(C(C)(C)C)n2)cn1 585090858 SBQVPHGKPQUDTB-UHFFFAOYSA-N 372.408 2.289 0 40 FEAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 585106148 RZXSKTZWAFZPFN-QRQLOZEOSA-N 369.509 2.385 0 40 FEAB O=C(NC[C@@H]1CCCO1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112733 UQTMNJZTNQUOJV-ROUUACIJSA-N 370.453 2.023 0 40 FEAB COc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1OC 57355201 BJMWHHVLGLWMHU-UHFFFAOYSA-N 355.438 2.465 0 40 FEAB Cc1noc(C)c1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 63447570 UALUUCYHJDPXDM-HNNXBMFYSA-N 363.439 2.473 0 40 FEAB CN(C)C(=O)COc1ccccc1CNC[C@H]1COc2ccccc2C1 58165876 XJGRNPIMQNXQOB-INIZCTEOSA-N 354.450 2.495 0 40 FEAB COc1ccc(CC(=O)OCc2cc(=O)n3ccsc3n2)cc1OC 5665887 BDMJNQQRQBJXTD-UHFFFAOYSA-N 360.391 2.059 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1 16188376 PXOXSKKXKUMKRU-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19448329 VYFGTIMVUNXKLZ-KRWDZBQOSA-N 358.486 2.390 0 40 FEAB CC(=O)N[C@@H]1CN(Cc2ccnc3ccccc23)C2(CCN(C)CC2)C1 19704049 OUKMDLAENQXRID-SFHVURJKSA-N 352.482 2.410 0 40 FEAB Cc1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)cc(=O)o1 206960896 VJFJTSUZNJUKNJ-UHFFFAOYSA-N 354.284 2.265 0 40 FEAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178419 CBMLWLOZICVLDQ-IBGZPJMESA-N 373.497 2.015 0 40 FEAB COc1cc(OC)nc(NC(=O)CN2CC=C(c3ccccc3)CC2)n1 11286799 BBPTZBYALITZST-UHFFFAOYSA-N 354.410 2.222 0 40 FEAB CCn1cnc2c(N3CCN(c4cc(C5CCC5)ncn4)CC3)ncnc21 1888899328 VRXJCRKYOKXQDT-UHFFFAOYSA-N 364.457 2.230 0 40 FEAB O=C([C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCSCC1 1889096863 HBYBYGWZOIPZKS-NSHDSACASA-N 360.405 2.287 0 40 FEAB COc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Br 8132488 NCSSTNKUJWJQFH-UHFFFAOYSA-N 368.212 2.439 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C2CCC2)C1 2055754556 AJEAXBXALFDTRP-HXUWFJFHSA-N 359.470 2.022 0 40 FEAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCc2ccc(Cl)cc2)C1 2055772008 QLBXOUSHAUTXRF-LJQANCHMSA-N 374.872 2.233 0 40 FEAB O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)NC1CCCCCC1 23127488 KICYVVGELJHNSS-UHFFFAOYSA-N 361.486 2.447 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)CSc2ccc(F)cc2)cn1 575619162 IAFDJTHHHDYWDQ-UHFFFAOYSA-N 357.414 2.425 0 40 FEAB CC(C)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccc1 40092273 VYPQGIQBODOJRD-HZPDHXFCSA-N 355.525 2.463 0 40 FEAB CC(=O)Nc1ccc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)c(F)c1 40017801 ZTSQYBXXXBKFGY-UHFFFAOYSA-N 361.325 2.394 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CN1CCCC1=O 40157514 MCGDPLKLGPQRJA-LBPRGKRZSA-N 358.417 2.369 0 40 FEAB CCCNC(=O)[C@H]1CCCN(C(=O)C2(c3ccccc3)CCOCC2)C1 50696416 XDFRSBQUFMGRJS-KRWDZBQOSA-N 358.482 2.500 0 40 FEAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 4944453 BMMLLGBGEXRBOH-JTQLQIEISA-N 359.407 2.475 0 40 FEAB COc1cc(OC)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 6698917 LFYUHFAKNDSODW-QOBDMFJFSA-N 355.774 2.174 0 40 FEAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccccc1N1CCCC1=O 11651887 BEGRUFGKPSNMFQ-UHFFFAOYSA-N 368.418 2.224 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2noc(-c3ccccc3)c2c1 7441037 GSWYATVOGRKVTO-NSHDSACASA-N 367.361 2.496 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)CCCOc2ccccc2)cc1 2627314 CDRURAKDGNGIJR-UHFFFAOYSA-N 356.378 2.126 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1cc2ccccc2cc1O 2636340 RPHJUFZJLLXECE-UHFFFAOYSA-N 359.378 2.162 0 40 FEAB CCN1C[C@@H](CN(C)Cc2nnnn2-c2ccccc2)Oc2ccccc21 58289138 YAIPVTUULFULHS-QGZVFWFLSA-N 364.453 2.382 0 40 FEAB COc1cc2nc(NC(=O)CN3CCSC3=O)sc2cc1OC 21559623 YSOUDKREIHTIME-UHFFFAOYSA-N 353.425 2.421 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 32862309 TUDGERKXUHLCFY-KRWDZBQOSA-N 369.421 2.438 0 40 FEAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)NCc2cccs2)cc1 52714489 VYAYAJZPDCDCON-QGZVFWFLSA-N 373.478 2.476 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 16100008 UYPRFBXXMIAVRI-UHFFFAOYSA-N 368.480 2.152 0 40 FEAB CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 20488629 NGPCWDHYPDOFRI-UHFFFAOYSA-N 365.430 2.102 0 40 FEAB Cc1nn(Cn2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n2)c(C)c1Cl 28576282 XPMOHXRDCQSEJB-QWRGUYRKSA-N 351.838 2.105 0 40 FEAB Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c(S(=O)(=O)N(C)C)c1 53874703 YRLSVSOFEOJWTA-GJZGRUSLSA-N 368.499 2.319 0 40 FEAB O=C(c1cncc(Br)c1)N1CCC(C(=O)N2CCCC2)CC1 22991648 WXGBWDMBHBUFLJ-UHFFFAOYSA-N 366.259 2.319 0 40 FEAB O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccco1 57292599 NTSPLMICCAEDFP-UHFFFAOYSA-N 351.337 2.387 0 40 FEAB O=C(Nc1ccc(-c2csnn2)cc1)N1CCN(c2cnccn2)CC1 56787361 IZQFKCNMKSNZIU-UHFFFAOYSA-N 367.438 2.349 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1/C=C/c1ccccc1OC 26532903 NYGQOPKTDQIOAU-MYSGNRETSA-N 362.451 2.018 0 40 FEAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1 3203318 GWEHQRXKEXMPHP-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB Cc1nc(N2CCC(NS(C)(=O)=O)CC2)c2c3c(sc2n1)CCC3 10044503 XUSTYVSJBVRWPN-UHFFFAOYSA-N 366.512 2.006 0 40 FEAB Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)N(C)C)cc1 58193680 FRJKXSKPWMLRDG-MOPGFXCFSA-N 367.497 2.421 0 40 FEAB O=C(CN1CCN(CCc2cccs2)CC1)NC(=O)Nc1ccccc1 58178341 BYQWRDHYKKWAMV-UHFFFAOYSA-N 372.494 2.257 0 40 FEAB COc1cccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)c1 10297407 REOJRFHCWSNQPM-HNNXBMFYSA-N 363.337 2.132 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)Cn1c(-c2ccccc2)noc1=O 58202365 JGKMLSYICKATBT-UHFFFAOYSA-N 355.398 2.173 0 40 FEAB Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccoc2)N2CCCC2)cc1 58370626 ZAPBWDWPCRFEJQ-GOSISDBHSA-N 355.438 2.271 0 40 FEAB O=C1COc2cc(C(=O)NCc3ccccc3Cn3cccn3)ccc2N1 12869402 BYYXVQDKGQMZQV-UHFFFAOYSA-N 362.389 2.192 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(Br)c1 3606377 LFZIGDAOCRNCFU-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB CC1CCN(C(=O)Cn2nc(Br)nc2Br)CC1 8296520 SXGHIIPCMIGLBL-UHFFFAOYSA-N 366.057 2.062 0 40 FEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OC/C=C/c1ccccc1 39569341 UJMVGHMJABENRI-DNGMOHDESA-N 370.430 2.370 0 40 FEAB COc1cc(Br)c(CC(=O)Nc2ccn(C)n2)cc1OC 39996407 QTXLGYMQLNJOGB-UHFFFAOYSA-N 354.204 2.381 0 40 FEAB C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)NC(N)=O 14093672 GGZPVBUQVXWADY-JSGCOSHPSA-N 374.466 2.405 0 40 FEAB CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)(C)C)s1 14017234 UKRFGIKLEKGMPZ-VIFPVBQESA-N 367.500 2.489 0 40 FEAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(C(=O)C2CC2)CC1 14113659 QLCYASUHRREXKP-UHFFFAOYSA-N 360.797 2.141 0 40 FEAB CCOc1ccc(OCCNC(=O)Cn2cnc3ccsc3c2=O)cc1 14112152 UMHVXHZNYHAPFN-UHFFFAOYSA-N 373.434 2.052 0 40 FEAB O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccco1 14110929 BKRWCGVZVPBSMX-UHFFFAOYSA-N 351.200 2.131 0 40 FEAB CCn1nnc2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 15198251 LMHUTBKZDPMROQ-LBPRGKRZSA-N 372.450 2.346 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 15636533 ZTUDKJUISLSGFJ-UHFFFAOYSA-N 351.453 2.134 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2cc(C)ccc2C)c2ccccc2O1 29767258 JACNUKPADAGVKX-SFHVURJKSA-N 354.406 2.222 0 40 FEAB CCOC(=O)[C@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 7436590 VIXWIZWAIWHRMX-AWEZNQCLSA-N 373.453 2.025 0 40 FEAB Cc1nc(C)c(CCC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(=O)[nH]1 68048828 XPJJKEAHLRTHMD-OAHLLOKOSA-N 359.430 2.093 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)O)C3)c(C)c12 8764929 HCXYZDNJEHTXHL-CYBMUJFWSA-N 373.405 2.284 0 40 FEAB biogenic NC(=O)NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 8707096 XTPQFBUBHQSDON-UHFFFAOYSA-N 369.244 2.103 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(O)c1)CC(O)=N2 71283447 GGVWNHKSANVTCU-OCCSQVGLSA-N 361.423 2.380 0 40 FEAB O=C(c1ccccc1N1CCOCC1)N1CCN(c2ccccc2)CC1 61108508 LMHWHSAEDGOBSH-UHFFFAOYSA-N 351.450 2.486 0 40 FEAB CC(C)n1cc(Br)cc1C(=O)OCCNC(=O)c1ccn[nH]1 96006852 BJCWAXNQOFXDBB-UHFFFAOYSA-N 369.219 2.141 0 40 FEAB O=C(CNC(=O)[C@@H]1COc2ccccc2C1)Nc1ccc(F)c(F)c1F 9495875 UPDHTOONTZOFRL-NSHDSACASA-N 364.323 2.410 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)OC(C)(C)C 89856474 KICOPBIBJSPASS-GXTWGEPZSA-N 352.431 2.271 0 40 FEAB O=S(=O)(CCCF)NC1CCN(Cc2ccc(F)c(F)c2)CC1 72307541 NUSOFQMNRDWIFJ-UHFFFAOYSA-N 350.406 2.208 0 40 FEAB CC(C)=C[C@H]1[C@@H](C(=O)OCCOCCNC(=O)C(F)(F)F)C1(C)C 95997391 NLSCHFVWRSVWHT-RYUDHWBXSA-N 351.365 2.463 0 40 FEAB O=C(Cc1ccsc1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 25445562 AHQICQIYRHUPFG-UHFFFAOYSA-N 370.521 2.453 0 40 FEAB Cn1nnc2cc(C(=O)N3CCC[C@H](Cc4ccc(O)cc4)C3)cnc21 1554009475 DKLBRCMNARJLDV-CQSZACIVSA-N 351.410 2.164 0 40 FEAB Cc1ccc(C)c(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306141353 VSYSBLFPLUJMIG-ZWKOTPCHSA-N 367.497 2.337 0 40 FEAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CC1 408709399 SBXZCEKLMHHGGP-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB CCOc1ccc(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 524005023 QFYUTNIXAHTZCJ-UHFFFAOYSA-N 367.449 2.076 0 40 FEAB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)NCc2cccnc2N(C)C)cn1 1552455441 XVJQVFLREXEDDM-DLBZAZTESA-N 372.473 2.254 0 40 FEAB O=C(c1cnccn1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377788 PQBDPTXYASKEJN-HNNXBMFYSA-N 362.397 2.168 0 40 FEAB COc1ccc2cc(C)c3nn(CN4C[C@H](C)O[C@H](C)C4)c(=O)n3c2c1 72347004 ZATJKEKZBYFUTB-OKILXGFUSA-N 356.426 2.033 0 40 FEAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 32755040 CEACPFCNHHDLAH-UHFFFAOYSA-N 361.828 2.016 0 40 FEAB CN1Cc2ccc(NS(=O)(=O)CCOCc3ccccc3)cc2C1=O 223453789 GALVYTAVCLAHGD-UHFFFAOYSA-N 360.435 2.231 0 40 FEAB COc1ccc(C(C)C)cc1S(=O)(=O)NCCSc1ncn[nH]1 223012397 FCNFDAXIIJIJJI-UHFFFAOYSA-N 356.473 2.007 0 40 FEAB CC(C)NC(=O)CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226752759 DYKKLKHUUSIZCE-UHFFFAOYSA-N 354.332 2.146 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1cccc(F)c1)CCC2 96259351 PKFWNTKCHOQMKC-UHFFFAOYSA-N 356.401 2.191 0 40 FEAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 96112768 WUJZUGMFFFTBSP-HNNXBMFYSA-N 369.400 2.390 0 40 FEAB biogenic,in-vitro COCCN1CCc2cc(C(=O)NC(C)C)c(NCC3CC3)nc2CC1 96260600 KQZCMQIZLPYDAB-UHFFFAOYSA-N 360.502 2.089 0 40 FEAB CCn1c([C@@H](C)Nc2ncc(S(N)(=O)=O)s2)nc2ccccc21 579538074 VNNIGYVTCWDVBC-SECBINFHSA-N 351.457 2.333 0 40 FEAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)C[C@H]1COc2ccccc2O1 333698404 NMFFREJMBAHNPQ-HNNXBMFYSA-N 358.438 2.076 0 40 FEAB Cc1noc(C)c1C(=O)N1CCc2onc(COc3cccnc3)c2C1 96260042 HKQVFPKONBNJHC-UHFFFAOYSA-N 354.366 2.452 0 40 FEAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@H](C)Cc2cccs2)CC1 583623057 HBTVURKGWKFAJK-HIFRSBDPSA-N 366.483 2.241 0 40 FEAB O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3ccccc3)C2)C1 96228966 JAWIWGMTTNGFRS-GOSISDBHSA-N 350.484 2.098 0 40 FEAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2ccc(F)cc2)C1 257209126 BPDISRMMOYPNLJ-CQSZACIVSA-N 351.447 2.407 0 40 FEAB Cc1cncc([C@@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257285763 PISOFZCQNZOCLF-CQSZACIVSA-N 352.394 2.250 0 40 FEAB C[C@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 253603374 KJIXZEHJTYWXJD-PHAGKYIGSA-N 360.502 2.216 0 40 FEAB O=C1NCC[C@@]1(c1nc(-c2ccc3nc(O)[nH]c3c2)no1)C1CCCC1 624521188 VYJYDFBOLSWCEG-GOSISDBHSA-N 353.382 2.266 0 40 FEAB O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(N2CCOCC2)ncn1 632151958 WOXJNDHOXGWASJ-UHFFFAOYSA-N 374.351 2.379 0 40 FEAB CC(C)(C)n1ncc2c(N)nc(N3CCC[C@H]([C@@H]4CCCNC4)C3)nc21 656607546 OSMMDHZJHXSYKN-KGLIPLIRSA-N 357.506 2.380 0 40 FEAB Cc1nc2c(c(N3CCC[C@@H](c4nc(CC(C)C)no4)C3)n1)CCNC2 71763054 DLUORGPCTOJOCR-CQSZACIVSA-N 356.474 2.396 0 40 FEAB Cc1cnc2cc(C(=O)N3CCC([C@@H]4CC[C@H](C(=O)O)O4)CC3)ccn12 1775959968 KJMHTFWBNYLRJS-JKSUJKDBSA-N 357.410 2.127 0 40 FEAB C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1C(=O)c1cocn1 585096913 CHPXXKHZNPQPSQ-CYBMUJFWSA-N 353.382 2.105 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 585095671 AQTHIZOHWYXZOS-KMFMINBZSA-N 372.494 2.233 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc(F)c(Cl)c1)[C@@H](C)C2 585098529 UQPIALMQKYFLFF-JTQLQIEISA-N 352.797 2.304 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cccn2C1 585099105 MOPJUYACDQSMAL-HNNXBMFYSA-N 362.433 2.445 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2nncs2)CC1 824742452 UKMRKDLFZPRZGN-UHFFFAOYSA-N 369.468 2.087 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2N)[C@@H]1SC 597801870 VFYNMSHKRAHANF-OAGGEKHMSA-N 360.483 2.152 0 40 FEAB O=C(CS(=O)(=O)c1cccs1)N1CCN(c2ccccc2F)CC1 11666460 LFFZREDXLQFMCA-UHFFFAOYSA-N 368.455 2.010 0 40 FEAB CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CCN(Cc1ccccc1)C2 12325731 HFERRFLLWHUTFI-UHFFFAOYSA-N 367.497 2.062 0 40 FEAB COCCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12389168 QRPDUKYKBDKJKN-UHFFFAOYSA-N 361.417 2.125 0 40 FEAB Cn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCCC3)nnc12 16320861 YVVMHGWBEHVPBU-UHFFFAOYSA-N 371.466 2.122 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1 16479959 SITWTBYAXKZIRQ-UHFFFAOYSA-N 374.462 2.166 0 40 FEAB NC(=O)C1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1 19405699 ZBOFELUOKMFIPA-INIZCTEOSA-N 353.426 2.092 0 40 FEAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(C2CCCCC2)CC1 19446862 HXFZQIJIHSVIQW-SFHVURJKSA-N 364.538 2.357 0 40 FEAB C[C@H]1Cc2cc(-c3csc(NC(=O)CCn4cnnn4)n3)ccc2O1 19498240 LMQAWHWPVJZPHX-JTQLQIEISA-N 356.411 2.149 0 40 FEAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19500628 UCLJJCHTVUKJLV-OALUTQOASA-N 370.501 2.121 0 40 FEAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2CC1CC1 19706647 HAMAPECXEZDANK-OAHLLOKOSA-N 364.515 2.087 0 40 FEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H]1c1nnc2n1CCNCC2 19710649 MSPKHUDBHIYACY-INIZCTEOSA-N 368.416 2.022 0 40 FEAB O=C(CCn1nc(O)ccc1=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166705 FYSJSGMPHNKNRR-IRXDYDNUSA-N 371.412 2.415 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)nc1C 665398901 VPFNJEAYCSKMMQ-UHFFFAOYSA-N 359.451 2.120 0 40 FEAB O=C(c1ccc2ncsc2c1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888890326 ZCIQWYPWMSYYRU-OKILXGFUSA-N 351.435 2.295 0 40 FEAB COC(=O)[C@@H]1CCCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 238958063 YEDDWNJFJGWRTA-AWEZNQCLSA-N 368.817 2.070 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccco1 3622816 DPLOAKHNWCFIHN-OAHLLOKOSA-N 367.283 2.020 0 40 FEAB CCN(CC)c1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4625856 SZAQZCQNBDHKDQ-RIFZZMRRSA-N 373.453 2.190 0 40 FEAB O=c1c2cccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccco1 6805169 SMBNRCPYHIJXCJ-UHFFFAOYSA-N 351.337 2.387 0 40 FEAB COc1ccc(/C=C\C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1OC 10255707 ZFNYHQGCLZGCOD-SIJIIQCFSA-N 352.390 2.160 0 40 FEAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)nn1 11738975 SGYCEWPQKJMDDG-UHFFFAOYSA-N 374.422 2.327 0 40 FEAB COc1cccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)c1 23105951 PYWAIOSQZPOVOI-FQEVSTJZSA-N 370.449 2.264 0 40 FEAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)CCC2=O)C1 585148729 DUGQGOUIHZUSNP-UHFFFAOYSA-N 368.355 2.245 0 40 FEAB c1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(-n2ccnc2)c1 2298066460 FJQLTCNSNNZYEK-UHFFFAOYSA-N 353.455 2.323 0 40 FEAB Brc1cnc2nc3c(cc2c1)CN(CCn1nccn1)CC3 2298066464 XXWAGZFPHQQWPH-UHFFFAOYSA-N 359.231 2.042 0 40 FEAB O=C(COc1ccc(F)cc1F)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19293077 QSOSSONCTAOYJD-INIZCTEOSA-N 374.391 2.143 0 40 FEAB O=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1 19293078 QSOSSONCTAOYJD-MRXNPFEDSA-N 374.391 2.143 0 40 FEAB CC(C)n1cc(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)cn1 96101489 VBYVJQORHYUDNP-QGZVFWFLSA-N 352.438 2.402 0 40 FEAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCn2ccnc2)cc1 40043264 MNOJRCWGWBSFGA-UHFFFAOYSA-N 356.455 2.319 0 40 FEAB Cn1nc(C(=O)NCc2cccc(Cn3cccn3)c2)c2ccccc2c1=O 40157591 RDLJLXIODFDNAN-UHFFFAOYSA-N 373.416 2.108 0 40 FEAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 50821638 LUZQKFXTFFJTME-CYBMUJFWSA-N 351.403 2.251 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1C1=Cc2ccccc2OC1 28924724 FFOSVAQWRICWLJ-HXUWFJFHSA-N 363.417 2.127 0 40 FEAB C/C(Cl)=C\Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4949961 UYOVLKROODPSRT-FMIVXFBMSA-N 373.844 2.202 0 40 FEAB Cc1ccccc1CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8478145 XTVBQSXWNLHIKX-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB COc1cccc(CNC(=O)c2nn(-c3ccc(C)c(C)c3)nc2CO)c1 21149169 XJONXYFEAXFINS-UHFFFAOYSA-N 366.421 2.315 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@@H](C)O[C@H](C)C3)nc(N)c2c1C 32850900 COILRALCAYJTDF-NXEZZACHSA-N 364.471 2.368 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)N3CCCC3)CC2)c1 32894938 QHRXWIXGLAWCBZ-QGZVFWFLSA-N 358.486 2.464 0 40 FEAB COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Br)cc1 32927468 ZVJNQPSTUBGXCY-UHFFFAOYSA-N 350.234 2.021 0 40 FEAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 32913896 HTEWOFUZLBUCNY-WMLDXEAASA-N 365.437 2.034 0 40 FEAB COC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889155 SDONLGYBNQVVJP-CQSZACIVSA-N 374.462 2.203 0 40 FEAB CCOC(=O)c1sc2ncn3nc(Cn4cc(C)cn4)nc3c2c1C 2790284 BRTUEHXOQAELCG-UHFFFAOYSA-N 356.411 2.377 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 18063720 MRIVEXVONYJRKB-ZDUSSCGKSA-N 370.327 2.134 0 40 FEAB Cc1csc(CN2CCC3(CC2)CC(NS(=O)(=O)C2CC2)C3)n1 108534357 CGKMLYPAUCEYEP-UHFFFAOYSA-N 355.529 2.278 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 811006 MSENXFHKLWZINP-UHFFFAOYSA-N 368.405 2.484 0 40 FEAB CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 12391755 YAIIBDWZPDYANL-MRXNPFEDSA-N 361.398 2.076 0 40 FEAB CO[C@]12C[C@@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 103836151 BMDMNLBIKSAWCI-CFRICLJESA-N 364.445 2.067 0 40 FEAB CCN(Cn1nc(-c2ccc(C)cc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 24177835 FFNQCPJYMXKIOV-AWEZNQCLSA-N 366.512 2.383 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(OC)c2)c1 24153090 VRDWKKDZTRFCEP-UHFFFAOYSA-N 365.407 2.455 0 40 FEAB C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc2c(c1)CCCC2 43076307 YUFOQUSIGVDIQS-CQSZACIVSA-N 350.422 2.252 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCCNC(=O)c1ccco1 25182511 HDGMWFQIGQYLGO-UHFFFAOYSA-N 356.378 2.166 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 56083298 NQOSZRLIVUHLGV-CYBMUJFWSA-N 361.833 2.117 0 40 FEAB C[C@@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1cccs1 12506575 SPUNQQOSZUOBLQ-LLVKDONJSA-N 363.464 2.379 0 40 FEAB Cc1nc(C)c(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c(=O)[nH]1 58297044 CEJPHRQTAIDMDO-GOSISDBHSA-N 368.481 2.100 0 40 FEAB CCS(=O)(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58200891 NDWQFTTWCJZFLR-AWEZNQCLSA-N 366.405 2.018 0 40 FEAB COc1cc(C)ccc1OCc1nnc2n(C)c(=O)c3ccccc3n12 12610132 IEYZMPUKFHSPRK-UHFFFAOYSA-N 350.378 2.477 0 40 FEAB CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CCN2CCOC2=O)c1C 58604041 QPCJVQBUOOQWGN-UHFFFAOYSA-N 353.440 2.181 0 40 FEAB Cc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2N)cc1 3343979 JUJNWWDTYXOJLZ-UHFFFAOYSA-N 359.480 2.437 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1F 48332707 DMNIHLJYMVQTMZ-UHFFFAOYSA-N 357.334 2.401 0 40 FEAB C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(S(N)(=O)=O)cc1 3418174 XYOVOZMXRNCTGT-SNVBAGLBSA-N 370.377 2.426 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)CCc2c(C)noc2C)ccc1C 7979405 UBBKDVPIAWXQEF-UHFFFAOYSA-N 351.428 2.079 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 16694613 BVCVUSDHOWXBQC-WMLDXEAASA-N 363.417 2.127 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc2N1 8163676 ZQAOEEDOCFURQO-UHFFFAOYSA-N 357.435 2.320 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 8184349 HMCBXRYLSMGMEE-CQSZACIVSA-N 372.446 2.390 0 40 FEAB CCOC(=O)c1cn(-c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1N 65336678 BGDNKYRIVPVTSA-UHFFFAOYSA-N 362.382 2.430 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccc(F)cc1 14015347 FVIKXJFMWLAOET-DYVFJYSZSA-N 369.396 2.166 0 40 FEAB CC(C)OCCCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624495 VVEVDRNAWZOIQC-UHFFFAOYSA-N 365.426 2.446 0 40 FEAB biogenic COc1ccc(CNC(=O)N2CCN(c3ccccc3O)CC2)cc1OC 17068915 YRWRVDLVXGOEMU-UHFFFAOYSA-N 371.437 2.441 0 40 FEAB COc1cccc(CNC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1 4852619 YJUONSIYBMOQRZ-UHFFFAOYSA-N 365.437 2.464 0 40 FEAB CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1-c1ccc(C)cc1 4942637 KTCJKPVJYSAHQP-GOSISDBHSA-N 365.393 2.267 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 22682196 SJYQRMIGEHMXFD-HKUYNNGSSA-N 352.434 2.057 0 40 FEAB CC(C)c1nc2sc3c(=O)n(CC(N)=O)cnc3c2c2c1CCCC2 8993118 OXHYLTOGZSBMCY-UHFFFAOYSA-N 356.451 2.494 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSC3=N[C@@H]4CCCC[C@@H]4N3)nc2c1 9478033 SQDSGKHIVOCLCR-BETUJISGSA-N 372.450 2.213 0 40 FEAB O=C(CSCC(=O)Nc1cc(Cl)ccc1Cl)Nc1nc[nH]n1 19850904 OFXXEPJXDQDYQM-UHFFFAOYSA-N 360.226 2.422 0 40 FEAB OCC[C@@H]1CN(C(=S)Nc2ccccc2)CCN1Cc1ccncc1 19871480 ATWLPVSZCJMCNI-GOSISDBHSA-N 356.495 2.347 0 40 FEAB COc1ccc(N2C(=O)C[C@H](N(C)Cc3ccc(C)o3)C2=O)cc1OC 97011558 IHVNERUZZOIJSE-HNNXBMFYSA-N 358.394 2.369 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(N)cc2Cl)s1 95944688 NWCFZKYFKMMJDV-UHFFFAOYSA-N 373.887 2.098 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 408589389 HHLROSDWHCSQFT-NSHDSACASA-N 372.874 2.028 0 40 FEAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Br 170609905 KAGUJKLJYYBMKS-QJPTWQEYSA-N 374.242 2.367 0 40 FEAB Cc1ccc(OCCCCNC(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)cc1 555757278 FQIXLWXEACCYMP-WBVHZDCISA-N 364.442 2.333 0 40 FEAB COC(=O)c1cc(OC(=O)c2ccc(OC)c(Br)c2)n(C)n1 408553679 PAQQUGQVIRQQNV-UHFFFAOYSA-N 369.171 2.197 0 40 FEAB COc1cc2c(=O)ncn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2cc1F 185062150 GSTXPISFVLUZIS-LALPHHSUSA-N 361.417 2.485 0 40 FEAB O=C(O)c1ccc(NC2CC2)c(S(=O)(=O)NCCc2ccccc2)c1 217481941 BPECTPUVFKHHLZ-UHFFFAOYSA-N 360.435 2.480 0 40 FEAB CCN1CCOC[C@@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 540865261 LTTAJCPGANEDPF-QGZVFWFLSA-N 351.410 2.284 0 40 FEAB O=C(COc1cccc(F)c1)N1CCC(c2n[nH]c3nccnc23)CC1 72393778 PFNMAVPMDKKRDP-UHFFFAOYSA-N 355.373 2.277 0 40 FEAB C[C@H](O)C[C@H](C)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 72293612 ABZXEICJDNFFSL-UWVGGRQHSA-N 353.362 2.117 0 40 FEAB Cc1csc(S(=O)(=O)N[C@H](c2nc(C)no2)C2CCOCC2)c1 560285348 VBMGHDPJWSICBL-ZDUSSCGKSA-N 357.457 2.194 0 40 FEAB COc1ccc(CCNC(=O)NCC2CCN(c3cnccn3)CC2)cc1 70930749 OVKXOAPZXKMWAW-UHFFFAOYSA-N 369.469 2.244 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)NCC2([S@](C)=O)CCC2)s[nH]1 573641214 FFPAHXNKZCFBEI-QHCPKHFHSA-N 370.525 2.420 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2ncnc3ccccc23)CC1 40060987 UBTGCTLBUUBZMZ-MRXNPFEDSA-N 353.470 2.153 0 40 FEAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)n1 225500087 WYMKQDUXHYBJKF-CYBMUJFWSA-N 361.373 2.317 0 40 FEAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 224557851 GFWRDGMQAJCMPB-UHFFFAOYSA-N 367.492 2.390 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1F 224214010 RLNNWYDJAOYNOE-UHFFFAOYSA-N 368.409 2.224 0 40 FEAB COC(=O)CC1CCN(C(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)CC1 95474305 FFSPHWPJXIZWIP-QGZVFWFLSA-N 374.485 2.112 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOc2cccc(C)c2)C1 583618775 HPNKBZBNFPWMKZ-SJORKVTESA-N 353.426 2.274 0 40 FEAB Cc1nc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)sc1C 96101400 HDEUXZWJACWDFN-UHFFFAOYSA-N 358.427 2.044 0 40 FEAB O=C(C1CCOCC1)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96057095 OFPPFJBRBAHLOF-XLIONFOSSA-N 360.454 2.285 0 40 FEAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@]3(C)C(=O)CCCC[C@H]23)cc1 247995117 AWKQSOBJXCGMOA-MPGHIAIKSA-N 365.451 2.361 0 40 FEAB O=C(N1CCN(c2ncncc2Cl)CC1)N1CCc2ccccc2C1 585083586 JFJHSSLOZGFUBX-UHFFFAOYSA-N 357.845 2.430 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515654 MKBAIRRQJRJAHB-YQVWRLOYSA-N 359.447 2.135 0 40 FEAB COc1ccc(NC(=O)CN2CCNC[C@@H]2c2ccccc2OC)cc1 262311526 YZLCMKVDEGNXFZ-GOSISDBHSA-N 355.438 2.289 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)on1 270523663 SAAQIDUJAMSGJK-GOSISDBHSA-N 355.438 2.445 0 40 FEAB O=C1NC[C@@H](C(=O)NC[C@@H]2CSc3ccccc3O2)c2ccccc21 627907240 RSLYUFUZVOSAFJ-IUODEOHRSA-N 354.431 2.183 0 40 FEAB COc1cccc([C@@H](NC(=O)c2cc3c(nc2O)CCCC3)C(=O)O)c1 659175526 PANGUOVODDRMQX-MRXNPFEDSA-N 356.378 2.230 0 40 FEAB C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 679424157 BDXPHAXMYYYESV-DJIMGWMZSA-N 368.499 2.029 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccs2)CC1 585113211 HILDICJKSMYEKE-AWEZNQCLSA-N 356.513 2.414 0 40 FEAB CC(C)NC(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 96000069 ZBCLRNZFBOXJMA-INIZCTEOSA-N 369.469 2.366 0 40 FEAB COc1ccc2c(N3CCn4c(nnc4C(F)F)C3)ncnc2c1F 598932652 BTJTWHGSCKDUTD-UHFFFAOYSA-N 350.304 2.327 0 40 FEAB CCn1cnc2c(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)ncnc21 599456937 BZNKBCWDTWRVNA-UHFFFAOYSA-N 372.379 2.087 0 40 FEAB Cn1cc(CC(=O)N2C[C@@H]3CN(C[C@@H]4CCC(F)(F)C4)C[C@]3(C)C2)cn1 1616034106 XOMIAYDEAHHEPM-UWWQBHOKSA-N 366.456 2.178 0 40 FEAB CC(C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584637 KBJFXZPMXYNIEH-UHFFFAOYSA-N 362.451 2.415 0 40 FEAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2cccs2)CC1 14116714 UQJUSARVCGSKAB-HNNXBMFYSA-N 369.490 2.484 0 40 FEAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccnc1N1CCCC1 14123194 AFLYUHBMWSPNJP-UHFFFAOYSA-N 356.407 2.108 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)cc3)C2=O)c1 18265503 HTGHOHDJSZAEOI-MHWRWJLKSA-N 351.362 2.232 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)n1 19290932 JVLQAYQJKCKAHE-LBPRGKRZSA-N 369.450 2.252 0 40 FEAB O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 19372186 SKXKAIDGMNRYKX-UHFFFAOYSA-N 352.434 2.458 0 40 FEAB CCn1cc(CC(=O)N(C)CCCN2CCN(C)CC2)c2ccccc21 19524779 KKKOOZJGVRNOQN-UHFFFAOYSA-N 356.514 2.300 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)s1 19560391 WBSICKLRPQEALZ-CQSZACIVSA-N 372.494 2.212 0 40 FEAB O=C(c1ccc(-n2cccn2)nc1)N(Cc1ccccn1)C[C@H]1CCCO1 19663865 HMZSQMAUQVRXQG-GOSISDBHSA-N 363.421 2.484 0 40 FEAB Cc1nc(N2CCN(c3cc4c(nn3)CCC4)CC2)cc(C(F)(F)F)n1 575608848 POQBDGIHHRPNAO-UHFFFAOYSA-N 364.375 2.409 0 40 FEAB Cc1c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)oc2ccccc12 9388973 KSGJJXAFAQSKNB-UHFFFAOYSA-N 358.419 2.460 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CC[C@H](COc3ccc(C)nn3)C2)cc1 1888881781 UDQHKPHPEVIFRP-KRWDZBQOSA-N 361.467 2.324 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@H]2c2ccnc(CN(C)C)c2)n1 1848352406 HRTYWKAAQQOBGX-INIZCTEOSA-N 357.458 2.385 0 40 FEAB C[C@@]1(Cn2c(Cc3ccccn3)nnc2N2CCSCC2)CCCO1 1303992241 WTTURMBBGWPEQG-SFHVURJKSA-N 359.499 2.386 0 40 FEAB CN1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1 37979349 BGWWPOTYSDEGFX-UHFFFAOYSA-N 360.683 2.080 0 40 FEAB CC(C)(C)c1nccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087126997 RKIMCEIDAUAPJJ-ZDUSSCGKSA-N 368.428 2.237 0 40 FEAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4505309 UWHIALDBOWNFIV-CYBMUJFWSA-N 365.904 2.174 0 40 FEAB Cc1nc2sccn2c(=O)c1NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 13707948 UOEIRJFVGYSLHS-JTQLQIEISA-N 373.390 2.199 0 40 FEAB Cc1nnc(CN2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)o1 1775975150 AOEXASMWTWLEGU-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB O=C(Cc1cccnc1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972509 IQQVZEVBFRODER-UHFFFAOYSA-N 362.433 2.273 0 40 FEAB O=C(/C=C/c1cccnc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 575616940 OMOFFTRZBBYEAW-PCAWENJQSA-N 351.332 2.127 0 40 FEAB Cc1c(O[C@@H](C)C(=O)NCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2410371 KDDMDNCRJZYLLE-LBPRGKRZSA-N 373.405 2.338 0 40 FEAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1F 8082923 LXLCXXLPGTUVOO-UHFFFAOYSA-N 361.398 2.201 0 40 FEAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)NCCCc1ccccc1 36602097 QZSBJOABSKNEBN-QGZVFWFLSA-N 369.421 2.434 0 40 FEAB O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1ccccc1 1082657 WDODZHUPOWPLLQ-UHFFFAOYSA-N 370.434 2.267 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1 6823636 LLNMRJMYXWJDGP-UHFFFAOYSA-N 363.464 2.160 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C(C)C)no2)cc1 7735748 HKRNWIJQOJGSLT-UHFFFAOYSA-N 359.382 2.018 0 40 FEAB CCc1nn2c(O)cc([C@H]3CCN(C(=O)c4cscn4)C3)nc2c1C 100147044 IPFCMLMIBBQUPD-NSHDSACASA-N 357.439 2.392 0 40 FEAB Cc1nnc(O)c2c1[C@@H](c1ccc(Cl)cc1Cl)n1nnnc1N2 10298544 KLYKFGWCITWTGW-LLVKDONJSA-N 350.169 2.479 0 40 FEAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OCC(N)=O 8112753 QDDHEROALXLGGH-UHFFFAOYSA-N 358.394 2.437 0 40 FEAB Cn1cc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)ccc1=O 81645200 YTFTWUOSZNCBFH-OAHLLOKOSA-N 365.433 2.142 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1 32925638 SQCOBRAGSDCWLM-UHFFFAOYSA-N 355.419 2.206 0 40 FEAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 53268447 PQKFHGZHZPIOGA-UHFFFAOYSA-N 364.442 2.483 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CC(=O)n1cccc/c1=N\C1CCCCC1 102844519 BDEJNGAQJSNDPS-LTGZKZEYSA-N 370.453 2.226 0 40 FEAB C[C@H](NC(=O)NC(=O)COC(=O)c1cccc(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 103322460 GVFXYIGOTIRYLN-QCQGSNGOSA-N 360.410 2.200 0 40 FEAB COc1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 790605 RMEDAXOWLFADFH-SFHVURJKSA-N 368.389 2.367 0 40 FEAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1ccc(F)cc1)CC2 12569280 RENLYXRMGGXVMR-UHFFFAOYSA-N 372.396 2.158 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 12543968 UHZSWORKSKPULY-INIZCTEOSA-N 351.472 2.039 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 23432902 VJOIGAHXNHENFI-SJLPKXTDSA-N 364.511 2.431 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)NN1C 1004220 KKTPGKPMSTUMBF-QGZVFWFLSA-N 368.393 2.247 0 40 FEAB COc1ccc(-c2noc(CN3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 21122671 PUCFIIJTSXCUOZ-UHFFFAOYSA-N 358.442 2.436 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccnn2C)c2ccccn2)CC1 100750348 GOJYFXHNFDYBRB-JTDSTZFVSA-N 369.469 2.229 0 40 FEAB O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324702 JBHJVAQCJSXKNT-INIZCTEOSA-N 360.435 2.396 0 40 FEAB CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(N)=O)CC1 107426590 QWYVWSMNHHKXLW-UHFFFAOYSA-N 370.453 2.245 0 40 FEAB CN(C)S(=O)(=O)c1ccc(SCc2nnsc2Cl)nc1 12634776 IJQYDAVEIXWXHQ-UHFFFAOYSA-N 350.878 2.129 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3316355 AYLKWJHVIGVMQB-UHFFFAOYSA-N 359.773 2.190 0 40 FEAB O=C1CCC(=O)N(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)N1 58167430 ODTQENAQGZKSFI-UHFFFAOYSA-N 371.824 2.471 0 40 FEAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCc2ccccc21 3364471 MGHHIBMHPWWQNX-UHFFFAOYSA-N 353.407 2.049 0 40 FEAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F)N1CCCC1 58213457 DNBRWZGLTKTGFT-AWEZNQCLSA-N 358.410 2.130 0 40 FEAB CC(C)C(=O)N1CCC[C@H]1C(=O)NCCNc1ncccc1C(F)(F)F 58210624 VKFYGUPUABMANH-ZDUSSCGKSA-N 372.391 2.276 0 40 FEAB CC(C)[C@H](NC(=O)CN1C[C@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 12755398 ZHSOZLNHDZUNFN-MDOVXXIYSA-N 362.470 2.380 0 40 FEAB C[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)N(C)c1ccccc1 48230501 XQGDMKBFYJYORB-HNNXBMFYSA-N 352.500 2.375 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(CN2CCCC2=O)cc1 8395444 MLLUMKVBOJAKKQ-UHFFFAOYSA-N 362.393 2.037 0 40 FEAB C[C@@H]1C[C@H](N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C(=O)O1 12803866 UYSJZWLQQJLALW-CJNGLKHVSA-N 350.374 2.186 0 40 FEAB CC(C)NC(=O)CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 12936755 REACKOVDNJKQDC-UHFFFAOYSA-N 362.861 2.104 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 3636502 MTDHAZRDRLQDPB-BMIGLBTASA-N 374.418 2.434 0 40 FEAB Cc1ccc(C)c(OCCCN2NS(=O)(=O)c3ccccc3C2=O)c1 8936805 IYJXAUOOLXKEKU-UHFFFAOYSA-N 360.435 2.422 0 40 FEAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 67897204 KAHTWLLHEPWUDE-UXHICEINSA-N 352.434 2.307 0 40 FEAB biogenic,in-vitro CCn1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C(C)C)c(C)n1 13733066 PMEQFRHDYFMEDG-FUHWJXTLSA-N 363.483 2.269 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc(C(C)(C)C)cs2)C1=O 39978215 UHMLFXXWEYXQFJ-UHFFFAOYSA-N 352.460 2.490 0 40 FEAB Cc1ccccc1N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 39990615 VCCVNAUPLBNBIK-UHFFFAOYSA-N 352.438 2.465 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nncn3C(C)C)nc2c1 5254259 YFPOQXZMXWAIHA-UHFFFAOYSA-N 359.411 2.174 0 40 FEAB C[C@H]1CN(Cc2cccc(CNC(=O)NCc3ccccn3)c2)CCO1 65592150 IEHSQHSEZRVOQA-INIZCTEOSA-N 354.454 2.302 0 40 FEAB COC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OC)c(OC)c1 8672647 MTNHKYDMODWZOI-SKDRFNHKSA-N 367.448 2.480 0 40 FEAB NC(=O)c1c(NC(=O)COC(=O)C2CCCC2)sc2c1CCCC2 6640392 XNXYDPIGFOKKPG-UHFFFAOYSA-N 350.440 2.398 0 40 FEAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccco1 6610107 GWBRESOCJKQSNZ-UHFFFAOYSA-N 368.359 2.132 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C2CC2)c1C 9076965 AKWWSWARLJAYIF-JTQLQIEISA-N 363.443 2.493 0 40 FEAB Cc1c(CC(=O)NCCCc2ccco2)c(=O)oc2cc(O)cc(O)c12 8764267 LOGLQRPXNFTWAW-UHFFFAOYSA-N 357.362 2.397 0 40 FEAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1C 7121165 RSBFAAOPFRRUIN-LLVKDONJSA-N 363.370 2.289 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 8772212 YMZPXJDPZLKLLN-UHFFFAOYSA-N 367.384 2.041 0 40 FEAB CC(C)CCNc1nc(C(=O)OCC(=O)NC(=O)NCC(C)C)cs1 7353387 SLTMFVAPBCDJJH-UHFFFAOYSA-N 370.475 2.240 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9225900 AEHGTHWPTPMYOX-HUUCEWRRSA-N 368.499 2.319 0 40 FEAB COc1ccc(CNC(=O)c2noc(-c3ccc4c(c3)OCO4)n2)cc1 96125460 LMAUMFMFAZRWKW-UHFFFAOYSA-N 353.334 2.404 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cccc(-n2ccnn2)c1 89780896 YQLYECRVIBVAIP-AWEZNQCLSA-N 368.828 2.324 0 40 FEAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(C(=O)C2CC2)CC1 96983477 OMEUNYWDZCIZEA-AWEZNQCLSA-N 352.438 2.116 0 40 FEAB CCN(C(=O)c1ccc(-n2ccnc2)nc1)S(=O)(=O)c1ccc(C)cc1 97164823 QPTSRSNFHIXHKP-UHFFFAOYSA-N 370.434 2.427 0 40 FEAB C[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)CC1(C)OCCO1 72305945 ZJPVWPUMSBLXKG-ZDUSSCGKSA-N 362.430 2.127 0 40 FEAB CN(c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 22230521 ZZWFENRDFMMIMB-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB CCCNC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 35380329 TWPQSLJVCRVKOF-RJYAGPCLSA-N 357.498 2.150 0 40 FEAB CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1 306141856 WILBOMVUMUEPMO-SFHVURJKSA-N 370.497 2.435 0 40 FEAB COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1F 30752990 QHRKRWOWFIYQKZ-ZIAGYGMSSA-N 358.479 2.481 0 40 FEAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1OC 524729684 DPIHGXQPVWURQU-LBPRGKRZSA-N 359.378 2.161 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CO)C(=O)O)cc1 218501874 GXOFYNGKDGJTSU-JFIYKMOQSA-N 364.394 2.137 0 40 FEAB O=C(c1cnc(OCC2CC2)cn1)N1CCN(c2ccc(Cl)cn2)CC1 560061223 YDDLVWUFIRNOKR-UHFFFAOYSA-N 373.844 2.276 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358772 RUSFOWHRUBIALY-CQSZACIVSA-N 364.446 2.269 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N(C)c1ccccc1 226069160 JOEGJAABABGUSI-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)cccc1N(C)S(C)(=O)=O 222429891 NQMDLMWWYBJUTB-UHFFFAOYSA-N 362.407 2.372 0 40 FEAB CC[C@@H](C(=O)NCc1cc(C)nc(N2CCOCC2)n1)c1ccccc1 224227639 SQFJEAGHXWHMBY-GOSISDBHSA-N 354.454 2.432 0 40 FEAB Cc1ccc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)s1 43955415 GOBNMQVFWOTUFQ-UHFFFAOYSA-N 352.485 2.041 0 40 FEAB COc1ccn2c(C(=O)N3CC[C@H](c4nc(C5CC5)no4)C3)cnc2c1 580185766 VNJDMVSMVIZKPM-LBPRGKRZSA-N 353.382 2.233 0 40 FEAB O=C(C1CCSCC1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247870995 QRMYMAMNASYYCF-CQSZACIVSA-N 362.499 2.039 0 40 FEAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(Cc4cccs4)C[C@@H]32)cs1 248064879 WPMOWNKTWZIFRD-XNRPHZJLSA-N 363.508 2.390 0 40 FEAB O=C(C1CCOCC1)N1CC2(C[C@H](CCOCc3ccncc3)CCO2)C1 247878898 UWMSFQOTZYEMPL-QGZVFWFLSA-N 374.481 2.423 0 40 FEAB CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1)C1CCCC1 257297587 RHYNRJAZUWFOPA-LPHOPBHVSA-N 373.497 2.032 0 40 FEAB COC(C)(C)C(=O)N1CCO[C@H](c2cccc(Nc3nncs3)n2)C1 257327657 XCFGREBTPOXCMP-LBPRGKRZSA-N 363.443 2.002 0 40 FEAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260720709 SWIUEZPLOPDMIP-QWHCGFSZSA-N 365.503 2.187 0 40 FEAB CO[C@@H](c1cccc(Cl)c1)c1noc(COC2CN(C(C)=O)C2)n1 643956763 SLUYHMSCBIMLJG-HNNXBMFYSA-N 351.790 2.206 0 40 FEAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCc2ccncc21 644417941 ILNNIIIYOZSAHQ-OAQYLSRUSA-N 351.450 2.388 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2ccnn21 585095346 PIZHIEUXBBOMLJ-CQSZACIVSA-N 352.394 2.271 0 40 FEAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCCC1 49093362 LSGRIFYJFLIHMS-UHFFFAOYSA-N 356.392 2.235 0 40 FEAB CCc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)no1 12222256 BVSOIJWVMUEOSV-UHFFFAOYSA-N 354.410 2.254 0 40 FEAB COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1 12328638 NAARWHSQVGWYJT-MRXNPFEDSA-N 365.441 2.051 0 40 FEAB NC(=O)c1cccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12673025 PZAXHRMUXVUYAQ-UHFFFAOYSA-N 364.405 2.141 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccn4)C3)ncc2C1 19018415 MGYKYQHYYIUXKX-MRXNPFEDSA-N 351.454 2.156 0 40 FEAB CCOC(=O)c1c(NC(=O)CN2CCO[C@H](C)C2)sc(C)c1CC 25835500 GYBKINHWYCPWEV-LLVKDONJSA-N 354.472 2.455 0 40 FEAB CC(C)C[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26304433 XJFWAJUOKAIPEX-FQEVSTJZSA-N 374.529 2.265 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3ncc[nH]3)CC2)CN1c1ccc(F)cc1 2037840599 OJRMNYOUQAMIQC-LJQANCHMSA-N 358.417 2.337 0 40 FEAB COc1cccc(CN2CCn3c(CNC(=O)C4CC4)cnc3[C@@H]2C)c1 2055759264 DKPKOCWYJIMFCA-AWEZNQCLSA-N 354.454 2.495 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)c2ccsc2)cc1 96103343 DBKNXRUDISNLCA-CQSZACIVSA-N 355.437 2.201 0 40 FEAB CN1C(=O)c2ccc(NC(=O)CN(C)[C@H]3CCc4ccccc43)cc2C1=O 29487295 VRSVBHHNIHZBKO-SFHVURJKSA-N 363.417 2.470 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860612 LAAWKPONLNXATC-UHFFFAOYSA-N 360.439 2.058 0 40 FEAB COc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC 7813960 GAVHHSWRHYAWJY-UHFFFAOYSA-N 363.435 2.178 0 40 FEAB COc1ccc(Cn2c3c(c(=O)[nH]c2=O)CN(C2CCCCC2)CN3)cc1 20573343 QIWBOQYUSXHNJH-UHFFFAOYSA-N 370.453 2.111 0 40 FEAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(S(N)(=O)=O)cc1 6509876 APBLYOJQBMTPLH-GFCCVEGCSA-N 355.419 2.373 0 40 FEAB Cc1cnc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)s1 20719810 DLKVQJURLIGYDE-UHFFFAOYSA-N 357.443 2.053 0 40 FEAB O=C(COC(=O)c1cc2ccccc2o1)Nc1ccc2[nH]c(=O)[nH]c2c1 8776018 SSRUEZDOPPAJFW-UHFFFAOYSA-N 351.318 2.398 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1)[C@@H]1CCCO1 46218113 BROLNPSKZBXNIC-DACLVMHWSA-N 360.454 2.281 0 40 FEAB O=C(Cc1cccs1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108535854 SAFFYXUZIXZJCM-ROUUACIJSA-N 357.479 2.188 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1cccnc1 32916114 NJHCILGBIJQSHB-UHFFFAOYSA-N 353.831 2.303 0 40 FEAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)cc1 52658726 RLEWHGACZFHONZ-CQSZACIVSA-N 356.426 2.335 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NC(=O)C2CC2)s1 24974125 KXBZBTDQXYRGII-UHFFFAOYSA-N 354.395 2.325 0 40 FEAB Cc1c(C(=O)Nc2cccc(OCC(N)=O)c2)cnn1-c1ccccc1 22754206 JKDBNLXFWUBGPU-UHFFFAOYSA-N 350.378 2.297 0 40 FEAB Nc1nc(CN2CCN(c3cnc4ccccc4n3)CC2)nc2ccccc12 41873389 GEAUEOFMTPOVPH-UHFFFAOYSA-N 371.448 2.477 0 40 FEAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2Cc3ccccc3O2)c1 22602641 YXAZWRMBBOSCJS-GOSISDBHSA-N 351.406 2.328 0 40 FEAB Cc1cc(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)no1 12544464 STIQPJSRFQLRTD-UHFFFAOYSA-N 357.414 2.123 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)NCc1ccccc1 54057133 MMAGFWDFXMEODI-SNVBAGLBSA-N 351.200 2.477 0 40 FEAB Cc1cc(C)n(CCOC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n1 42777315 XDFFANPTBFKYBK-UHFFFAOYSA-N 355.394 2.006 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCC3)cc(C(C)C)nc21 24751659 NGYYIFBLWFULKC-UHFFFAOYSA-N 358.442 2.244 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 3235675 MKEGZKUNNPBQFL-UHFFFAOYSA-N 355.272 2.479 0 40 FEAB C[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 57024539 WIIGESJLIPESNA-MRXNPFEDSA-N 373.478 2.020 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCc2ccccc2C1 26383590 IWLOEPJDYQGEFH-UHFFFAOYSA-N 352.438 2.186 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(C)c3)cn2)C[C@H](C)O1 58158028 USRZCMIEAVDTHX-KBPBESRZSA-N 358.446 2.093 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)CN(C)[C@@H](C)c2ccccc2)c2ccccc2O1 10101873 BMFAZEDIKAQUFV-HNAYVOBHSA-N 367.449 2.220 0 40 FEAB COc1cccc(CCCNC(=O)c2ccccc2NS(C)(=O)=O)c1 66683723 YIRWOEDKOZDZNN-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)c1 20372701 QUIXYCAVWZBQOG-HNNXBMFYSA-N 352.390 2.393 0 40 FEAB Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)o1 48985476 KPLKIZJWBHMLAC-ZDUSSCGKSA-N 357.410 2.035 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)c1ccc(C)o1 81819354 DVIPPKJIVLIHSZ-KRWDZBQOSA-N 351.424 2.019 0 40 FEAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCC 4185486 ZKHWRPKYNWXDPY-UXBLZVDNSA-N 355.188 2.427 0 40 FEAB COc1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1OC 13718651 IUNZKCYHDUZADP-UHFFFAOYSA-N 364.471 2.347 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686408 SKBPTQWCSDEFKK-TZUPDSNESA-N 368.433 2.131 0 40 FEAB Cc1ccccc1-c1nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c(=S)n1C 14166628 FVOSFNMAXJXVAZ-CYBMUJFWSA-N 366.512 2.003 0 40 FEAB CN(C)[C@@H](CNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 14122707 VNIUCFUOUQLQRS-SFHVURJKSA-N 367.449 2.221 0 40 FEAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CC1 6528364 XYBHEYGBGUBUNS-UHFFFAOYSA-N 351.453 2.429 0 40 FEAB COc1cc(OC)c(NC(=O)COc2nnc3ccccn23)cc1Cl 14368788 BGDBEIBQNUJNIS-UHFFFAOYSA-N 362.773 2.417 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ncnc3ccccc23)cc1 6845491 QFGAJDQHPWJSCM-UHFFFAOYSA-N 364.405 2.414 0 40 FEAB Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)c(Cl)c3)c2n(C)c1=O 8716896 PWLKTJVYYZAJIH-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CC1 5970793 NVIZLSSKOFFHHZ-CYBMUJFWSA-N 359.426 2.141 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2cccc(Cl)c2)CC1 8707538 SUQVWLZQWPONRL-LBPRGKRZSA-N 361.881 2.056 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 7751852 VLIHHRFSBBKMIE-FQEVSTJZSA-N 366.417 2.378 0 40 FEAB COc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccccc3)c2N)cc1OC 8991128 IQGPWZXBXJLANE-GFCCVEGCSA-N 367.409 2.358 0 40 FEAB Cc1ccccc1OCC(=O)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306131063 JVLXGRPELHMCPW-YQVWRLOYSA-N 367.449 2.354 0 40 FEAB Cc1noc2ncc(S(=O)(=O)N3CCN(C)c4ccccc4C3)cc12 75943598 NPSMIDCYVWQGQZ-UHFFFAOYSA-N 358.423 2.172 0 40 FEAB Cc1nnc([C@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)o1 84291341 UENNCULQRKSEDD-DJJJIMSYSA-N 356.426 2.498 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@@H]3CCCC[C@@H]3O)s2)cc1 97165558 KJFUQMRVTDHREN-CABCVRRESA-N 360.483 2.170 0 40 FEAB CCn1c(=O)n(CC(=O)NCc2nc3c(C)cccc3[nH]2)c2ccccc21 95451758 SNPBJLKWWODGDT-UHFFFAOYSA-N 363.421 2.324 0 40 FEAB Cc1ccc(-n2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)nn2)cc1 95424047 WKWXELDROYSAEN-MRXNPFEDSA-N 350.378 2.001 0 40 FEAB CCc1nnc(SCC(=O)Nc2cccc(Br)c2)n1N 20842764 VSNJHTWRFYPHKQ-UHFFFAOYSA-N 356.249 2.048 0 40 FEAB CCS(=O)(=O)C[C@H](C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 79094451 YRTNAIXISYEEIF-NSHDSACASA-N 370.471 2.426 0 40 FEAB Cc1nc2ccccc2n(CCNC(=O)[C@@H](C)Oc2ccccc2)c1=O 95943976 DWRLIDGGVOCZLG-OAHLLOKOSA-N 351.406 2.289 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409356229 GBUMXGHBCCMLSX-UHFFFAOYSA-N 374.890 2.466 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)C(=O)c1ccco1 32902084 WGFLWKXTBDBTOE-UHFFFAOYSA-N 363.801 2.068 0 40 FEAB O=C(c1ccccc1C(F)(F)F)N1CCN(CCn2ccnc2)CC1 75158006 PLBNKFWKWCDYQA-UHFFFAOYSA-N 352.360 2.360 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)C(=O)O)cc1 218630455 ZHUZNAAJMSGAJY-XYJFISCASA-N 363.410 2.104 0 40 FEAB Cn1cccc(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1=O 70932076 RARLLLGRQPRPNG-UHFFFAOYSA-N 366.421 2.173 0 40 FEAB O=C(O)c1ccc(OCCN2CCC[C@@H](n3ccnn3)C2)c(Cl)c1 563283121 NDNSPWBFRJSUKT-CYBMUJFWSA-N 350.806 2.346 0 40 FEAB COc1ccc(CCNC(=O)CCc2c(C)nn3cnnc3c2C)cc1 71286215 PAFVDPTYFQKTOM-UHFFFAOYSA-N 353.426 2.041 0 40 FEAB COc1ccccc1CCNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 40038937 DEDXFLMQWBOABL-HZPDHXFCSA-N 363.502 2.425 0 40 FEAB Cc1cc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nn1-c1ccccc1 570035015 KVCSNVYWVHGEKM-TWOQFEAHSA-N 370.453 2.981 0 40 FEAB CCN(c1ccc(C(=O)NCCOC)cc1)S(=O)(=O)c1ccccc1 224353411 KLZYGNKWNBSPLF-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC(F)F 45895939 SIHWMUBMHJVAST-LBPRGKRZSA-N 351.313 2.127 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 77099395 XFRNJWNSPGCXPR-VAWYXSNFSA-N 369.446 2.332 0 40 FEAB O=C(c1ccncc1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96250856 UFXGYYDLJZCPIP-KFKAGJAMSA-N 353.422 2.313 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 96159780 YYHFXKCEFFETQM-FQEVSTJZSA-N 354.454 2.053 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2cnn(C(C)(C)C)c2)C1 583617594 ICRGTXSWHSGAJM-CABCVRRESA-N 355.446 2.038 0 40 FEAB O=C(c1ccsc1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96076783 IARPVGLKUKCNLA-SFHVURJKSA-N 358.467 2.297 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@@H](CNC(=O)c3ccco3)CO2)C1 252011076 SBWINZJFWRZTIV-HNNXBMFYSA-N 359.426 2.295 0 40 FEAB O=C(c1cc[nH]n1)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1 257294344 QTRSJRDINMZPIQ-UHFFFAOYSA-N 364.331 2.491 0 40 FEAB O=C(N1CC(O)C1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257242240 IBQMEJHRVIRXRE-UHFFFAOYSA-N 352.434 2.291 0 40 FEAB COC(=O)[C@@H]1CCC2=C3CC[C@]4(O)C[C@H](O)CC[C@]4(CO)[C@@H]3CC[C@]21C 253596986 YVGMAPVRFOPJJK-WZOOKJDPSA-N 364.482 2.331 0 40 FEAB CN(C)C(=O)c1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 605452226 DWIJWNXPNFFPFC-UHFFFAOYSA-N 373.497 2.040 0 40 FEAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(C)cc(C(N)=O)c2)C1 626578489 OWBVDQDYPJGLGW-FGTMMUONSA-N 374.485 2.199 0 40 FEAB O=C(O)[C@@H](C1CC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 635018165 LIANUTCKFIWHRD-OAHLLOKOSA-N 356.344 2.213 0 40 FEAB Cc1nc(N2CCC([C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)c2cc[nH]c2n1 1775957730 KKBLVSOKYLLCPE-JKSUJKDBSA-N 357.458 2.119 0 40 FEAB O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc2nsnc2c1 96098884 XMRZYEYKBFLFAJ-UHFFFAOYSA-N 350.407 2.380 0 40 FEAB COCCn1nc(C)c(NS(=O)(=O)C[C@H](OC)C2CCCC2)c1C 656624622 QPSCORUYAZPVIX-HNNXBMFYSA-N 359.492 2.093 0 40 FEAB C[C@]1(CNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(F)F 661135083 ARZSHODYWNYRBG-CXAGYDPISA-N 367.396 2.011 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(C)cc(C)cc2C)NC(=S)N1 13684136 AYHYMKAVEUCJDE-KRWDZBQOSA-N 359.495 2.263 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc(C4CCNCC4)ncc3C2)c1 19234809 GZGAPVCSAYLPGY-UHFFFAOYSA-N 350.466 2.379 0 40 FEAB CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 19445987 SGHTVXWIEUDLII-QZTJIDSGSA-N 362.522 2.109 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCc2ccncc2)n1 19457509 HBZTVDKCFMEXPP-LBPRGKRZSA-N 358.833 2.473 0 40 FEAB FC(F)(F)c1ccnc(N2CCN(c3ccc(C4CC4)nn3)CC2)n1 575609245 SAZAHIQBTDTVJT-UHFFFAOYSA-N 350.348 2.489 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 1888869593 HMCGRHUICGHKDG-UHFFFAOYSA-N 365.485 2.379 0 40 FEAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(Cc2ncnn2C)C1 1889084230 NQMUHKVCMVIFCK-GFCCVEGCSA-N 354.380 2.330 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc1 38666537 WZURTMHJAGZBJN-GFCCVEGCSA-N 353.469 2.423 0 40 FEAB O=C(CCn1ccccc1=O)Nc1ccc(I)cc1 32831008 YAPCUDMDCQICTN-UHFFFAOYSA-N 368.174 2.482 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CC(=O)NCc1ccccc1N2 2037978100 AQTLKAMUTLBIAN-HXUWFJFHSA-N 353.470 2.277 0 40 FEAB Cc1ncoc1C(=O)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037985073 WZRZJAXYWGQQFH-PBHICJAKSA-N 359.401 2.490 0 40 FEAB Cn1ccnc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840456 NCRYHOWZZINAPV-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)c3ccnc(F)c3)C2)C1 2056224753 TZRNLQHUZGXQPT-HXUWFJFHSA-N 371.460 2.473 0 40 FEAB C[C@@]1(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)CC=CCC1 1565542700 WDVJDFZCZVSIGR-MAODMQOUSA-N 369.465 2.172 0 40 FEAB CCN1CCN(C(=O)N2CCCC[C@@H](c3ccc(OC)cc3)C2)C(=O)C1=O 206887608 OVSMXMKAAGEGSJ-MRXNPFEDSA-N 373.453 2.075 0 40 FEAB Nc1c(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cnn1-c1ccc(F)cc1 19337011 YNRTVISBGZJMOL-ZDUSSCGKSA-N 356.401 2.425 0 40 FEAB NS(=O)(=O)c1ccc(OCCOc2c(F)c(F)cc(F)c2F)cc1 40009960 SSJFNBGSAKLZLL-UHFFFAOYSA-N 365.304 2.348 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)CCc1ccccc1 40143271 VENOGLZUPHOSKF-NSHDSACASA-N 350.440 2.295 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(N2CCOCC2)nc1 10989683 RGPXCXKQCYHVIY-UHFFFAOYSA-N 365.437 2.044 0 40 FEAB CCN(CC)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCC4 2442962 MIEAXXOKHGYPJB-UHFFFAOYSA-N 372.498 2.289 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1 100568117 VMPLOLLWEOXXKB-OTWHNJEPSA-N 363.417 2.231 0 40 FEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1F 6859776 OHIKEVOPBISORR-UHFFFAOYSA-N 357.363 2.143 0 40 FEAB CC(C)[C@@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)Nc1cccc2ncccc12 51570618 WCFXFALKVQYQNG-SCLBCKFNSA-N 369.421 2.267 0 40 FEAB C[C@H]1NC(C(=O)NCc2ccc(F)c(Cl)c2)=NN(c2ccccc2)C1=O 60355556 DDSLKZAEYJLXPB-LLVKDONJSA-N 374.803 2.434 0 40 FEAB Cc1ccc(OCCN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102878780 YRPBOGHNYKHQDN-CALCHBBNSA-N 358.438 2.007 0 40 FEAB COc1cc(F)c(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1OC 32469681 BXKJLLDYLRJBTH-LLVKDONJSA-N 359.419 2.033 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccc(F)cc1 2619695 WPXTYAAENMMKJV-UHFFFAOYSA-N 361.417 2.129 0 40 FEAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1cccnc1 41254632 CWECECYYFYLQPR-UHFFFAOYSA-N 352.369 2.151 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(C(C)C)cc2O)CC1 52747812 OUSQZBKNFRWTFY-UHFFFAOYSA-N 368.499 2.450 0 40 FEAB O=C(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53677295 ILNACHFZUFZAQD-UHFFFAOYSA-N 362.426 2.125 0 40 FEAB Cc1ccc(-n2ccnc2SCc2cc(=O)n3nc(N)[nH]c3n2)c(C)c1 103936805 OABZGDRLBWJDEF-UHFFFAOYSA-N 367.438 2.095 0 40 FEAB CCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1C 53745372 XCBQBVNHMAVVLS-UHFFFAOYSA-N 373.478 2.058 0 40 FEAB O=C(NCc1cc(O)n2nc(-c3cccs3)cc2n1)c1ccncc1 100769290 OTAJDZOECVCCOE-UHFFFAOYSA-N 351.391 2.488 0 40 FEAB Cc1ccc(CNC(=O)[C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)cc1 23628942 NVFNBDYNCYTZPE-CQSZACIVSA-N 361.467 2.483 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105770227 VNVIKPMFEVIGDB-VJANTYMQSA-N 361.530 2.358 0 40 FEAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)o1 107711870 VFEKKIMUKKVBCV-HKUYNNGSSA-N 350.459 2.064 0 40 FEAB CSc1nnc(CCCNC(=O)[C@@H](C)n2cncn2)n1C1CCCC1 57209897 PDNZCDFEWBYWGP-GFCCVEGCSA-N 363.491 2.017 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(CC(C)C)CC(C)C 57839506 WQBLMHLLVPRLKK-UHFFFAOYSA-N 359.492 2.053 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nnnn3-c3ccccc3)C2)n1 58172488 OAMWHLWKAHLQIN-HNNXBMFYSA-N 363.425 2.221 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)Cc3ccccc3C)CC2)on1 58193586 RYFQPKLZBKNHNT-MRXNPFEDSA-N 370.453 2.005 0 40 FEAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 58182678 IVJWPJLMLVNZKC-MRXNPFEDSA-N 371.481 2.193 0 40 FEAB Cc1cc(C)n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2n1 3222407 VEQMFMGIJZRNMD-UHFFFAOYSA-N 357.395 2.201 0 40 FEAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2152232 NGTMPSSETFGIGO-RYUDHWBXSA-N 361.394 2.492 0 40 FEAB biogenic COc1ccc(COC[C@H](O)CNC(=O)Cc2c[nH]c3ccccc23)cc1 58292164 UCIRGVSHFRZXOB-QGZVFWFLSA-N 368.433 2.413 0 40 FEAB CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(N3CCOCC3)cc2)CC1 58414082 VIEYSPKNEMZLCB-UHFFFAOYSA-N 373.497 2.290 0 40 FEAB COCc1nnc(NC(=O)CCCn2sc3ccccc3c2=O)s1 36354172 FIVJWPMJKFIEQX-UHFFFAOYSA-N 364.452 2.480 0 40 FEAB O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1CC(=O)N(Cc2ccco2)C1 12796912 OKLYDTISTUCKIR-CQSZACIVSA-N 367.361 2.422 0 40 FEAB Cn1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 48289029 HOGOCKIVUSWPII-UHFFFAOYSA-N 368.437 2.163 0 40 FEAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306127863 GJJUWDFUSRZSDU-UHFFFAOYSA-N 367.409 2.208 0 40 FEAB FC(F)(F)c1nnc2ccc(Nc3ccc(N4CCOCC4)nc3)nn12 12924392 ZJJOHZLMVWUTMX-UHFFFAOYSA-N 365.319 2.118 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 12970122 AMLQINQDRNFTJA-UHFFFAOYSA-N 367.354 2.136 0 40 FEAB CCn1cc(C2=NO[C@@H](C(=O)Nc3ccccc3C(=O)OC)C2)c(C)n1 4099229 MEAHRPUDLXWXHN-MRXNPFEDSA-N 356.382 2.130 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4082241 MDFGDESDVKWBNI-LTHLMHMASA-N 350.440 2.188 0 40 FEAB biogenic CCCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 6122994 WDHODBQJCGHURZ-UHFFFAOYSA-N 365.455 2.248 0 40 FEAB COC(=O)c1c(NC(=O)COc2ccc(C(N)=O)cc2)sc(C)c1C 6290079 ANGOPAMJXJWJFU-UHFFFAOYSA-N 362.407 2.268 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3F)ccc21 5279470 QJDKUTCJHVJZHC-UHFFFAOYSA-N 362.426 2.468 0 40 FEAB Cn1c(=O)n(C)c2cc(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)ccc21 6662916 CZPWRAIAUCGAMQ-UHFFFAOYSA-N 371.780 2.321 0 40 FEAB O=C(COC(=O)CCC(=O)c1cccs1)NC(=O)NCc1ccccc1 6600649 DCGLWKKGEDCWBQ-UHFFFAOYSA-N 374.418 2.280 0 40 FEAB CC[C@H](C(=O)Nc1cc(C)ccc1C)n1nnc(C(=O)OC)c1C(=O)OC 4969627 VVUVBOQLVKSRGN-CYBMUJFWSA-N 374.397 2.058 0 40 FEAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(F)c(F)c1 15388470 YVKKWAYNVNBEOF-UHFFFAOYSA-N 373.359 2.460 0 40 FEAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 9033456 VRTGWNWILJIHCI-UHFFFAOYSA-N 371.389 2.216 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 71288549 LCMZLUAARGHJNH-UHFFFAOYSA-N 359.459 2.362 0 40 FEAB O=C(CSc1n[nH]c(=O)n1-c1ccccc1)N1CCc2ccccc21 9239360 LPDWLMKQWAGVCY-UHFFFAOYSA-N 352.419 2.242 0 40 FEAB O=C(CSCc1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 9314037 ZCEZJKFNCYVSJK-UHFFFAOYSA-N 353.469 2.267 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)oc2c(C)c(O)ccc12 9531183 VGJRXSNFVOXFSD-CYBMUJFWSA-N 373.405 2.371 0 40 FEAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(-n2cnnn2)c1 9734544 MVNNPBJEZZEYIK-KRWDZBQOSA-N 370.457 2.322 0 40 FEAB Cc1ccc2[nH]nc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2c1 97494015 UUGFECGPFVATCY-UHFFFAOYSA-N 372.450 2.052 0 40 FEAB CC[C@H](c1ccccc1)N(CC(=O)OC)CC(=O)N1C[C@H](C)O[C@H](C)C1 84734624 GZZCAQFGQHOHTD-SOLBZPMBSA-N 362.470 2.249 0 40 FEAB O=C(CCCCCn1nnc2ccccc2c1=O)NCc1ccccn1 36359464 BOXOFOGJIDXUBU-UHFFFAOYSA-N 351.410 2.063 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCn1cnnn1 524734360 WERKWTOOBQZOQM-MRXNPFEDSA-N 354.414 2.137 0 40 FEAB CCn1nc(C)c(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)c1C 72241655 ZICJZPAQBVOXTQ-QZTJIDSGSA-N 374.416 2.196 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35877137 ZOXZTVVYASKWLB-FLGLUGIDSA-N 369.465 2.170 0 40 FEAB O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2 551714813 XEGYIQJHZWMCDJ-CQSZACIVSA-N 356.401 2.284 0 40 FEAB CN1CCC2(CC1)C[C@@H](NC(=O)CCc1ccnn1C)c1ccccc1O2 129467323 FBHMOFHZRMGKFR-GOSISDBHSA-N 368.481 2.457 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1F)Cc1nc(=O)c2ccccc2[nH]1 32654897 AZJMYZVAQPBIDZ-UHFFFAOYSA-N 358.348 2.272 0 40 FEAB CC1(C)C[C@H](NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)CCO1 72401288 JXZWIYKIDRIJQK-GFCCVEGCSA-N 352.818 2.139 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)CCc2cccs2)CC1 48340823 MLFPMOWYLMGCMB-UHFFFAOYSA-N 351.516 2.130 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 225593369 GNIMDTBYOIUQFV-UHFFFAOYSA-N 372.443 2.331 0 40 FEAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3c[nH]c4ccccc34)CCN12 85436220 XPYGCWJWUOUYHV-QGZVFWFLSA-N 354.454 2.269 0 40 FEAB biogenic,in-vitro COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1OC 225926998 RQVRLFQDGMXXGD-UHFFFAOYSA-N 374.437 2.062 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(CC3CCOCC3)C2)C1 96220677 VLGXJOLPOXZIBT-TZIWHRDSSA-N 359.514 2.279 0 40 FEAB Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cccnc2)CCO3)o1 96158941 BLDWWTSLQYQOEZ-UHFFFAOYSA-N 355.438 2.490 0 40 FEAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(nc3ccc(Cl)cn3c2=O)O1 96231903 XLJCNSPCVCNZAR-GFCCVEGCSA-N 370.748 2.487 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 245230543 UGMVWRUROSQBMX-REEYDVFISA-N 368.433 2.449 0 40 FEAB CCn1ncc(S(=O)(=O)N2CCC(C)(c3nccs3)CC2)c1C 257311464 UJOITSIAUCHLQM-UHFFFAOYSA-N 354.501 2.410 0 40 FEAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 257273772 NICSNJBVAJRUEE-OAHLLOKOSA-N 355.442 2.308 0 40 FEAB O=C(c1cnccn1)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257256851 KNDLNCUHIFFCDZ-UHFFFAOYSA-N 361.409 2.425 0 40 FEAB COc1ccc(C)cc1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257243261 IGCOCDLQDJYNGY-IEBWSBKVSA-N 359.397 2.336 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccccc1N1CCOCC1 657729339 ITBQLOYJBJCIKT-PKOBYXMFSA-N 356.470 2.124 0 40 FEAB Cc1cncc(CCNC(=O)Nc2ccc(F)cc2N2CCOCC2)n1 667228534 HSEYWAYLFNBJLX-UHFFFAOYSA-N 359.405 2.125 0 40 FEAB O=S(=O)(NCC[C@@H]1CCOC12CN(CC1CCC1)C2)c1ccccc1 585103542 XQBQSUKEJXGPFD-QGZVFWFLSA-N 364.511 2.246 0 40 FEAB CCOCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@H]2COC 585103868 SLXFFNOXBCHVRX-INIZCTEOSA-N 366.527 2.472 0 40 FEAB COc1ccc(NC(=O)NCCc2cncc(C)n2)cc1N1CCCC1=O 585100252 NXZRHDVVDPNKGB-UHFFFAOYSA-N 369.425 2.285 0 40 FEAB Cc1noc(C)c1C(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 12290888 DWUCKYLBHOPBHW-UHFFFAOYSA-N 361.417 2.144 0 40 FEAB COc1cc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc(OC)c1OC 12391881 WTCRITJPCTTYCP-UHFFFAOYSA-N 373.344 2.080 0 40 FEAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)c2cccs2)C1 12730399 PLHXOIOOOSLWCV-SECBINFHSA-N 357.482 2.023 0 40 FEAB O=C(c1ccccn1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402900 ANSFLPVFSMLGKA-UHFFFAOYSA-N 361.405 2.247 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]12C 253389615 SZSNPNCTSHASFJ-CHHROLJBSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C 5212065 BEJMMMARQDFNPG-MFKMUULPSA-N 350.415 2.270 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccnc(O)c2)C3)nc1 1888866473 OTYGSRQUJYJRNG-HNAYVOBHSA-N 354.410 2.207 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4nc(C5CC5)ns4)C[C@@H]3C2)c1F 1888866612 GYNHBHDWEKUZDB-RYUDHWBXSA-N 360.462 2.480 0 40 FEAB NC(=O)c1cc(OC2CN(Cc3ccc(Br)s3)C2)ccn1 1889114137 YJXSAIQLPVVEBD-UHFFFAOYSA-N 368.256 2.268 0 40 FEAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCN(C(=O)CN(C)C)C2)n1 2037836031 LNMHTDOQTXWINK-CYBMUJFWSA-N 360.487 2.253 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1OC 100039752 YJWKFEOPTCAJCT-CLJXZBEYSA-N 353.418 2.299 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 5241924 ZKPNZBMFMMUZBM-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB Cc1c(NC(=S)NCCCn2ccnc2)c(=O)n(-c2ccccc2)n1C 8310667 GGCOYSNPYCMSLR-UHFFFAOYSA-N 370.482 2.058 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H](C)S[C@H](C)C1=O 17244020 JOXGZAFLAPTRRI-DTORHVGOSA-N 356.831 2.166 0 40 FEAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)s1 2055772713 STDTUSDZTPXCNL-UHFFFAOYSA-N 358.467 2.117 0 40 FEAB Cc1cc(CNC(=O)c2ccc(Oc3ncccn3)cc2)nc(N(C)C)n1 206727401 GDWFZPDASLSWET-UHFFFAOYSA-N 364.409 2.363 0 40 FEAB O=S(=O)(NCc1nccnc1-c1ccco1)c1cccc2nsnc12 575414231 CSVVZGVXLAOARG-UHFFFAOYSA-N 373.419 2.220 0 40 FEAB Cc1cc(-c2noc(CNC(=O)c3ccc(C(F)(F)F)nc3)n2)no1 575614927 AOASGDRLVZMWGJ-UHFFFAOYSA-N 353.260 2.377 0 40 FEAB C[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)n1ccnc1 40154584 IUPGRRQTLVLVAX-ZDUSSCGKSA-N 359.405 2.396 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)c(OC)c1 4934012 JETGFWTWAVRWAG-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1 878310 OSXVPHVGLOGAHF-UHFFFAOYSA-N 351.410 2.364 0 40 FEAB COc1ccc(-n2nnnc2SCc2nc3ccsc3c(=O)[nH]2)cc1 6038956 QICMOPZEHJZRAG-UHFFFAOYSA-N 372.435 2.261 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)NC1CC1 7272178 FDGZMPPEHLPMPZ-SWLSCSKDSA-N 366.483 2.444 0 40 FEAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 7940227 MUDXMGLMYNNTLO-AWEZNQCLSA-N 374.437 2.358 0 40 FEAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 101385250 SUXPSJLNGRLVJE-PMACEKPBSA-N 354.498 2.479 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 10008775 DYGKNTIPJOSNKN-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8470446 LEALWQJHZLZUMP-GVDBMIGSSA-N 356.422 2.275 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 8515570 ACMFUGOXFYJGOK-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccccc3)C2=O)cc1OC 2649559 AVHSHFXMSMKATJ-INIZCTEOSA-N 354.406 2.486 0 40 FEAB O=C(NCCCN1CCc2ccccc2C1)c1n[nH]c(=O)c2ccccc12 29838550 YSPPMVJYYCACRU-UHFFFAOYSA-N 362.433 2.101 0 40 FEAB Cn1c(CN2CCC[C@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O 57378657 CAXXJQXREUNNEZ-AWEZNQCLSA-N 356.451 2.031 0 40 FEAB CCOC(=O)C1=C(C)N=c2sc(=C(C)C)c(=O)n2[C@@H]1c1ccccc1 832620 GRQDKFDPWNFPDE-OAHLLOKOSA-N 356.447 2.160 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccn1 54223532 OEGDMPSKHASLGJ-SFHVURJKSA-N 373.478 2.037 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@H]2CC[C@H]1C2 105129525 IPAQRZCTTCWFCJ-ZQIUZPCESA-N 364.467 2.082 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 105762668 PIVGQEHQPNRFEU-ABHRYQDASA-N 355.438 2.264 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 56158115 IGQGRGYAWCMUQJ-SECBINFHSA-N 364.402 2.396 0 40 FEAB O=C(CCNC(=O)[C@H]1CCCN1Cc1ccccc1)Nc1ccccn1 57171028 ZDOXVNQORNAFAF-QGZVFWFLSA-N 352.438 2.191 0 40 FEAB COc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c(OC)c1 12548258 LSZUKINRPHNDPM-HNNXBMFYSA-N 373.331 2.216 0 40 FEAB COc1cc2c(cc1OC)CN(CCC(=O)NC(C)(C)CC(C)=O)CC2 10030184 LZTVLFAAGZOQQU-UHFFFAOYSA-N 362.470 2.326 0 40 FEAB O=C(Cc1csc(-c2ncccn2)n1)NC[C@@H]1COc2ccccc2O1 58197776 OEJSPWDIVSZTEI-CYBMUJFWSA-N 368.418 2.099 0 40 FEAB C[C@@H](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1 58182545 NFFIMJHPDMLTJW-ZDUSSCGKSA-N 360.435 2.490 0 40 FEAB NC(=O)NC(=O)CN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 58175022 MCRIQVSIYNWEEW-UHFFFAOYSA-N 370.384 2.026 0 40 FEAB CCCNC(=O)c1cccc(NCc2cc(=O)n3nc(CC)sc3n2)c1 36391694 VSVXHCZJCKMXST-UHFFFAOYSA-N 371.466 2.465 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O 3391433 VKFAFPLTELRCNU-UHFFFAOYSA-N 373.453 2.261 0 40 FEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NCc1ccco1 3590700 FIFLLNABJXBVSI-UHFFFAOYSA-N 350.396 2.390 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(O)c1 7450745 VNAJGBQBSHFWMQ-GOSISDBHSA-N 355.390 2.458 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1OCC 8031608 RCBDEJZWNUPCGV-ZDUSSCGKSA-N 362.426 2.200 0 40 FEAB CCOCCCNC(=O)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 14112495 HCNLHWTWLIRKDW-NSHDSACASA-N 366.389 2.147 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(F)cc3)C2=O)cc1 14123561 OJMGNKOOORIUIS-OXQOHEQNSA-N 372.396 2.341 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242637 RESMJGXNVRLQSL-ZDUSSCGKSA-N 370.421 2.154 0 40 FEAB NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263578 QKIQRROAJMLEHX-NSHDSACASA-N 357.797 2.431 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccccc1Cn1cccn1 8217004 IMLKCLBICGDSMF-UHFFFAOYSA-N 351.435 2.500 0 40 FEAB CCn1c(=O)n(CCC(=O)NC2(C(=O)O)CCCCC2)c2ccccc21 83840156 NAFYDLPSDVICGQ-UHFFFAOYSA-N 359.426 2.117 0 40 FEAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1Cl 8756162 DVKNNDHVMQKDBB-SNVBAGLBSA-N 351.255 2.249 0 40 FEAB CC[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(C)cc1 8993903 UCGFMNVLAJDRHE-MRXNPFEDSA-N 351.406 2.266 0 40 FEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)no2)cc1OCC 23533399 BFMFVNLUOFGYSM-UHFFFAOYSA-N 361.398 2.491 0 40 FEAB O=C(c1ccoc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 78508338 ZOKRIXNXRIRTNY-AWEZNQCLSA-N 352.387 2.002 0 40 FEAB CC(C)CC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 72304313 WVJQGDDPZZBXKB-KRWDZBQOSA-N 374.503 2.273 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2ncc(Cl)cc2F)CC1 79295165 LUOXJSXFUQIAOW-CYBMUJFWSA-N 354.857 2.397 0 40 FEAB CN(C)c1ccc(NS(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 408722762 WUWAKUHZCMFSAH-UHFFFAOYSA-N 373.434 2.207 0 40 FEAB CCn1cccc1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409017927 JXPZHHJVCFUPCU-LFIBNONCSA-N 352.394 2.348 0 40 FEAB CCCN(CC)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccnc2)C1 306134977 ODPHHAULNXWSCT-HXUWFJFHSA-N 369.469 2.168 0 40 FEAB O=C(Cn1nnc2ccccc21)NCc1ccc(OC[C@@H]2CCCO2)cc1 32930245 YEMPROPXAGPGEL-KRWDZBQOSA-N 366.421 2.306 0 40 FEAB Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1 510555728 XFRHZOVKQWMYTK-CQSZACIVSA-N 365.430 2.343 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)N[C@H]1CCNC12CCC2 529303735 BSZRNTWVRWMECT-BBRMVZONSA-N 350.413 2.127 0 40 FEAB CN1C(=O)COc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc21 72405294 SGQQIXPNDTXDCV-UHFFFAOYSA-N 350.378 2.489 0 40 FEAB CNCC(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 72383024 FHFZEPOXCBMMRR-MRXNPFEDSA-N 354.458 2.006 0 40 FEAB O=C(O)c1ccc(OCCN2CCC[C@H](n3ccnn3)C2)c(Cl)c1 563283122 NDNSPWBFRJSUKT-ZDUSSCGKSA-N 350.806 2.346 0 40 FEAB COc1ccc(CCC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)cc1 72374067 IVOJFRIICUINDZ-QGZVFWFLSA-N 369.469 2.076 0 40 FEAB O=C(Nc1nc(-c2cccnc2)cs1)C1(n2cnnn2)CCCCC1 72402443 XWKPVTCNXPSBSR-UHFFFAOYSA-N 355.427 2.490 0 40 FEAB Cc1nn2c(nnc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(F)cc1 40391857 KWPJLAOFMJRABT-UHFFFAOYSA-N 367.384 2.281 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccnc(Cl)c2)c1OC 72330805 DARRZBFBCGAATD-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCCCOC(C)C)cc1 222974521 MXOACAOIVMSFTK-HNNXBMFYSA-N 350.459 2.364 0 40 FEAB COc1ccccc1CCNC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 40038935 DEDXFLMQWBOABL-IYBDPMFKSA-N 363.502 2.425 0 40 FEAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CCOCC1 225820217 CQCNHONGECCFNU-UHFFFAOYSA-N 366.215 2.291 0 40 FEAB O=C(N[C@@H]1CCc2ccccc21)c1cn(C[C@@H](O)c2ccsc2)nn1 225582958 FKYMIVMMUJRIII-NVXWUHKLSA-N 354.435 2.491 0 40 FEAB CN(CCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 45304297 HBFSMHMDYHBNPG-UHFFFAOYSA-N 358.486 2.167 0 40 FEAB O=C1CCCN1CCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225812720 OSDIRYZFBBCKTR-UHFFFAOYSA-N 374.510 2.222 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224150919 LWILALRUHXPJGQ-UHFFFAOYSA-N 366.414 2.027 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCCC1)CN(C(=O)c1ccncn1)C2 96044960 DWDNLGJQWLBSJZ-HNNXBMFYSA-N 355.442 2.157 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)C(=O)O)cc1 242498655 HMHPTOJAENQHEU-ZIFCJYIRSA-N 359.447 2.273 0 40 FEAB Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)[nH]n1 257307709 SZXKVNACSBWPCZ-CQSZACIVSA-N 371.489 2.079 0 40 FEAB CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)ncn1 257302014 SAZGSLDVMXYEIB-HXUWFJFHSA-N 353.470 2.466 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1 257219564 DHGCVURRHGGXON-GOSISDBHSA-N 355.438 2.284 0 40 FEAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cccc2cnccc12)N1CCCC1 1615547103 JKRCTGPFQDHUKP-FHWLQOOXSA-N 365.433 2.229 0 40 FEAB CCOc1cncc(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 621728504 RFQXOTSMVYRJBY-IRXDYDNUSA-N 367.449 2.489 0 40 FEAB O=S(=O)(CC[C@@H]1CCCCO1)N1CC[C@@]2(C1)OCc1ccccc12 641431564 UOTJYFVZPVNYSE-WMZOPIPTSA-N 351.468 2.407 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)cc1 390829023 WBJXKFAAIPLWGE-UHFFFAOYSA-N 356.447 2.417 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccoc2)c(C)c1 96097331 WKGWSKGITFRTNO-HNNXBMFYSA-N 366.439 2.339 0 40 FEAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1 585102599 BUDJIRPXRMILAZ-CQKVTUKBSA-N 361.461 2.127 0 40 FEAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCC1 585282820 IFAJXSOEHRZJPU-MKXGPGLRSA-N 352.519 2.202 0 40 FEAB O=C(NC1CC2(CCN(C(=O)Cc3ccccc3)CC2)C1)c1cnccn1 585103924 HDWFARICZFGUDW-UHFFFAOYSA-N 364.449 2.220 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H]21 1551453257 RGDJLKMUFOOUCG-CDGCEXEKSA-N 373.375 2.220 0 40 FEAB C[C@@H](COc1ccccc1)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 69415259 WJIFCXCFXOMAOR-NSHDSACASA-N 355.419 2.409 0 40 FEAB C[C@H](C(=O)NC[C@@H]1CCCOC1)n1c(S)nnc1-c1cccs1 95393900 CQQSJDHNDQJKNT-MNOVXSKESA-N 352.485 2.399 0 40 FEAB COc1ccc(Cl)cc1NC(=O)COC(=O)CN1CCCCCC1=O 5540817 DSGFEMSEUGGMIC-UHFFFAOYSA-N 368.817 2.233 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@@H](CC)c2ccccc2)NC(=O)N[C@@H]1C 5837938 PYDQGLRIIKLBND-OCCSQVGLSA-N 360.410 2.242 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 12096473 PBMKLROXHNOLBB-ZDUSSCGKSA-N 351.366 2.155 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@H](Cc2ccsc2)c2ccccn2)n1 12229217 MIGBMAOKIIKFQY-MRXNPFEDSA-N 354.435 2.108 0 40 FEAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@H]2CC[C@@H]1C2 13320693 XULZDKXICHYGDJ-CIRFHOKZSA-N 360.429 2.217 0 40 FEAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(O)c(OC)c1 13567456 DBVCEXNADWJBJR-JTQLQIEISA-N 361.423 2.081 0 40 FEAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCCCC1 13585782 PNSMWBCZQFJFNL-UHFFFAOYSA-N 368.480 2.290 0 40 FEAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 14795376 VOVYTEGEHGYUSE-OAHLLOKOSA-N 368.474 2.485 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)NCc2cccc(Cl)c2)cc1 19173442 MNDZNXBTYYHHAY-UHFFFAOYSA-N 352.843 2.236 0 40 FEAB Cn1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 19290895 BWEGVEWYNGHDOB-UHFFFAOYSA-N 369.450 2.252 0 40 FEAB Cc1nn(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c(C)c1C 19557252 VVZPPJFWNPMUFU-UHFFFAOYSA-N 367.409 2.357 0 40 FEAB COC(=O)Cn1cc(CN2CCc3c(O)nc(C)nc3C2)c2ccccc21 19576639 ZBLHVCPLKQZMQI-UHFFFAOYSA-N 366.421 2.177 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCC1CCCC1)CC2 19706505 BWGVWFSGUTUWJZ-QGZVFWFLSA-N 373.501 2.317 0 40 FEAB O=C(C1CC=CC1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863781 PFPKINYENWLHQZ-ZDUSSCGKSA-N 353.426 2.195 0 40 FEAB Cn1cccc1C(=O)N1CCC(n2c(O)nc3ccc(F)cc3c2=O)CC1 238851382 JJFBHCSJXMKIGN-UHFFFAOYSA-N 370.384 2.057 0 40 FEAB O=c1ccc(-c2ccncc2)nn1C1CN(c2ncnc3cc(F)ccc23)C1 1775974305 OUPDUFFIJAJWKH-UHFFFAOYSA-N 374.379 2.449 0 40 FEAB Cn1ccc2c(N3CCN(c4nccc(-c5ccccn5)n4)CC3)ncnc21 2298084952 XETHJGHGCBQLJR-UHFFFAOYSA-N 372.436 2.147 0 40 FEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1cccnc1-n1cncn1)C2 40108932 VFHBIEPJSAXJST-MRXNPFEDSA-N 351.435 2.304 0 40 FEAB CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3CCCN=C3S2)cc1 1101402 ASOPDBOKOUKRQC-UHFFFAOYSA-N 359.407 2.021 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)COc3cc(C)ccc32)cc1OC 51316384 PLASRMNEONQRRC-UHFFFAOYSA-N 370.405 2.054 0 40 FEAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(N2CCOCC2)cc1 6534289 NNPLXDZGSAFFNB-LLVKDONJSA-N 350.469 2.494 0 40 FEAB CCCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 6948076 VNLQVZCWVXSOPE-CQSZACIVSA-N 361.471 2.137 0 40 FEAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cn2cncn2)cc1 21899583 HXEVSBZJYDZTHG-UHFFFAOYSA-N 361.405 2.471 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 172913548 SDCIRNNKYJZVOX-ZOBUZTSGSA-N 364.401 2.005 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 75109598 MTVPHICHQGDLGZ-GFCCVEGCSA-N 351.346 2.325 0 40 FEAB C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCC(Cc2ccccc2)CC1 103286300 QREJJDSJYYHDCZ-LPHOPBHVSA-N 357.498 2.054 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 1003990 XNHBAEMIWPWXAU-VAWYXSNFSA-N 360.391 2.091 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 3015838 WSCHLMRPSJRONG-UHFFFAOYSA-N 353.426 2.021 0 40 FEAB COc1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c(OC)c1 12548257 LSZUKINRPHNDPM-OAHLLOKOSA-N 373.331 2.216 0 40 FEAB COc1ccccc1OCC(=O)N1CCc2c(sc3ncnc(N)c23)C1 12555786 PTEYDYUTUBJSAS-UHFFFAOYSA-N 370.434 2.246 0 40 FEAB Cc1nn(C)c(C)c1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 108420563 SMVINDHISVUMBE-LJQANCHMSA-N 369.513 2.024 0 40 FEAB CCOC(=O)NCCC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 58066226 ZMYXJXFMCKVPJY-UHFFFAOYSA-N 366.437 2.042 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)N1CCC(N2CCCCC2)CC1 58192782 XXSOOWLEAQZFFE-UHFFFAOYSA-N 357.454 2.462 0 40 FEAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NC[C@@H]5CCCO5)nc4c3c2C1 2201115 REVSSVQOXSKYHU-MNOVXSKESA-N 371.466 2.373 0 40 FEAB COc1cccc(N2C(=O)c3ccccc3N3C(=O)CC[C@]23C(=O)O)c1 8264098 JBOFGIOHQGAPEO-IBGZPJMESA-N 352.346 2.263 0 40 FEAB CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)cc1OC 12895589 MLQAZQFSKAEZNL-UHFFFAOYSA-N 368.386 2.133 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@H]1CC[C@@H]2C(=O)O 118923259 PDRJFMGTKZFELS-APYPKHJSSA-N 352.471 2.178 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)C2=O 65567042 SZWIZANZJNTQQW-GPINWOSQSA-N 374.441 2.021 0 40 FEAB CCC(CC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 14158638 OFZJJYYPYPAYGH-AWEZNQCLSA-N 368.499 2.401 0 40 FEAB CCCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n(C)n1 4745482 AUAPSAVYOPBHKM-UHFFFAOYSA-N 353.426 2.423 0 40 FEAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1)c1ccccc1 20486526 QAVGMTUYYUDATK-MRXNPFEDSA-N 362.451 2.484 0 40 FEAB CCCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)n[nH]c1=O 6888241 NHUATVKAAIGLGH-UHFFFAOYSA-N 358.370 2.314 0 40 FEAB CCCn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n[nH]c1=O 4938576 KXVIJLZDAXNUCB-UHFFFAOYSA-N 363.468 2.060 0 40 FEAB COC(=O)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 7212182 ALPUHMYZDOQRIA-UHFFFAOYSA-N 362.245 2.023 0 40 FEAB O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1 7346141 VTCJUZAXIIUJOM-UHFFFAOYSA-N 365.382 2.066 0 40 FEAB COc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 15858551 TZUIMNDVRLNALJ-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB CCn1nnc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21 7782033 JLOCVBMFAHDOGQ-UHFFFAOYSA-N 364.453 2.455 0 40 FEAB Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 9458680 FIPGEBIMAALMTO-VIFPVBQESA-N 365.436 2.277 0 40 FEAB Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cnn1-c1ccccn1 75402188 FOYVAMAWYPLKLR-UHFFFAOYSA-N 363.377 2.183 0 40 FEAB O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCSc2c(F)cccc21 95949515 UWBGSDHXVLEEQO-OAHLLOKOSA-N 374.441 2.487 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 20768374 MAUPXIRWVWWLRC-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 24051080 ZKZUWIOXGWJAJL-UHFFFAOYSA-N 373.883 2.265 0 40 FEAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCc1ccncc1 548350936 RENMHBPMRHVHTP-IRXDYDNUSA-N 360.433 2.348 0 40 FEAB O=C(N1CCN(c2cccc(Cl)c2)CC1)C1(n2cnnn2)CCCCC1 36366597 LCHUHCMZCGQNJE-UHFFFAOYSA-N 374.876 2.335 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217534384 BBTWWXBPIQYDDN-LBPRGKRZSA-N 358.460 2.156 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574050 JMOSYQVSXYVIJF-VYDXJSESSA-N 365.838 2.309 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NCCc1ccccc1 217572730 PDGYITFDXYPURB-UHFFFAOYSA-N 360.435 2.480 0 40 FEAB CC(=O)N1CCn2c(nnc2C2CCN(C(=O)CCC3CCCC3)CC2)C1 72372095 IOGDLOMWBMGESN-UHFFFAOYSA-N 373.501 2.317 0 40 FEAB CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)cc1 41095799 CEJYBEVLXKZTLM-UHFFFAOYSA-N 355.456 2.439 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)OC 15953883 MGOAXPTZZCZRCU-BLLLJJGKSA-N 352.431 2.133 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccccc2F)C(=O)O)cc1 225158019 TZRPWEHHONALKR-INIZCTEOSA-N 351.399 2.451 0 40 FEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 40153770 TVRXGJWMFNPKEM-GFCCVEGCSA-N 360.414 2.233 0 40 FEAB CC(C)NC(=O)C1CCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)CC1 223215466 DTHDLAHWOVYRIJ-FQEVSTJZSA-N 357.454 2.333 0 40 FEAB O=c1c2nn(Cc3ccccc3Cl)c(=O)n2ccn1-c1ccccc1 225546803 NXVFERXJYOVQJN-UHFFFAOYSA-N 352.781 2.349 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2C)ccc1C 225132362 NRMNWDNCZDRHPO-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccc(C)o1)C2 96050140 HKBZXOZJRBNKCV-NRFANRHFSA-N 367.449 2.428 0 40 FEAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)c(C)s1)CC[C@H]2OC 96217669 FLYHHPKSVCRMEJ-ARFHVFGLSA-N 352.500 2.173 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 257334878 YHTITVXWWOPEDG-LBPRGKRZSA-N 354.414 2.175 0 40 FEAB CO[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@]12CCCO2 257243086 IFKGOHMQYBOOFV-QAPCUYQASA-N 370.396 2.496 0 40 FEAB CN(c1cccc(C(=O)NC[C@H]2CCCO2)c1)S(=O)(=O)c1ccccc1 260566739 XHEGOVOHZZIBMW-QGZVFWFLSA-N 374.462 2.421 0 40 FEAB CC(C)n1cc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)cn1 608018824 YOBGPMOPOFMDFK-UHFFFAOYSA-N 374.470 2.075 0 40 FEAB C[C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)n1ccc(C(F)(F)F)n1 632079548 VQYHPVKJBYLUBV-NEPJUHHUSA-N 353.348 2.253 0 40 FEAB O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O 632089720 LGAIKHRFLJTMKX-SNVBAGLBSA-N 371.821 2.137 0 40 FEAB NC(=O)NC1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 646876486 CWMMBRUHKZJJPC-UHFFFAOYSA-N 371.260 2.265 0 40 FEAB Cc1cc(N2CCC(NC[C@@H]3CCCO[C@H]3c3ccnn3C)CC2)n[nH]1 657443015 WBTXZZRWQQMHHB-HNAYVOBHSA-N 358.490 2.178 0 40 FEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccc(OCC(=O)O)c3)C2)n1 659758670 VXPWVLYPLOFGTL-MRXNPFEDSA-N 357.410 2.441 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 674651880 PJTROPMKKPVRDC-GFCCVEGCSA-N 360.435 2.192 0 40 FEAB CN1CCCC[C@H]1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112240 NGOUDZWVDVFEPT-OALUTQOASA-N 368.481 2.146 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N4CCC[C@H](C)C4)nc3C2)n(C)n1 585112232 NFLBNQGFNGAHOI-ZDUSSCGKSA-N 357.458 2.147 0 40 FEAB CO[C@@H]1CCN(CC(=O)Nc2cnn(C)c2)C[C@H]1Cc1ccc(C)cc1 585277354 SOEITDUKMYCARC-IEBWSBKVSA-N 356.470 2.247 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CCO[C@](CO)(Cc2ccccc2)C1 585272000 JMEWMKFFFPIQFY-HXUWFJFHSA-N 351.406 2.009 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccsc2)no1 47851757 JHOZWXNJTJVFKH-HNNXBMFYSA-N 354.435 2.471 0 40 FEAB C[C@@]1(C(=O)O)CCN(C(=O)COc2ccc(Br)cc2F)C1 62913202 HVUZBPPHHYTYIE-CQSZACIVSA-N 360.179 2.290 0 40 FEAB CN(C(=O)CC(C)(C)C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565522540 SSETVLZRSLJXBP-UHFFFAOYSA-N 356.474 2.475 0 40 FEAB Cc1ccc([C@H](NC(=O)c2cc(=O)n(C)c3ccccc23)C(=O)O)cc1 1615052395 AIBQZHBNNQFLII-SFHVURJKSA-N 350.374 2.403 0 40 FEAB Cn1ncc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c1Cc1ccccc1 1645526766 LRIIKAARYNFENM-GOSISDBHSA-N 367.424 2.483 0 40 FEAB CCc1c(C)sc2ncn(C3CCN(CC(=O)NC4CC4)CC3)c(=O)c12 12145456 DWPACPIONNFVEM-UHFFFAOYSA-N 374.510 2.244 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1cccc(Cl)c1 12942588 CPUIMSWUIYTARY-UHFFFAOYSA-N 372.860 2.268 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2cccc(F)c2)CC3)C1 19709484 JBPVSUAILVOQBN-QGZVFWFLSA-N 371.460 2.201 0 40 FEAB O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCOCC1 23143059 VSUQLOAYLFKUSM-UHFFFAOYSA-N 352.438 2.219 0 40 FEAB Cc1cc(C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)no1 1848745203 ASGSXWNLEUFFDM-UHFFFAOYSA-N 370.384 2.384 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 24014299 YXVUGXMWJLMPTD-UHFFFAOYSA-N 354.406 2.382 0 40 FEAB COc1cc(Br)c(CN[C@@H]2CCCCNC2=O)cc1OC 37282624 PXXJKUZHONISEY-GFCCVEGCSA-N 357.248 2.225 0 40 FEAB O=C(Cc1ccccc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565546790 KIWOYLGNIGPNHS-UHFFFAOYSA-N 350.422 2.065 0 40 FEAB Cc1nc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 1565550236 VEHRAOXLGJHOIK-IKGGRYGDSA-N 359.451 2.435 0 40 FEAB CCCSc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 4139117 OSUYMZMUECKBRJ-UHFFFAOYSA-N 372.450 2.205 0 40 FEAB COc1ccccc1CNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193734 MJPXQESLHUTYNH-HNNXBMFYSA-N 357.385 2.439 0 40 FEAB COc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5221301 UWDZKFGXEBLCOR-ZDUSSCGKSA-N 368.389 2.002 0 40 FEAB Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421281 DVOLGPQYAZPBST-UHFFFAOYSA-N 371.372 2.037 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2F)CN1c1ccc(F)cc1 9036438 AOMXDWNLDQVAFA-GFCCVEGCSA-N 366.389 2.296 0 40 FEAB CC(=O)N1CCC(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)CC1 40107512 ZPLJZPAWOWFETJ-LJQANCHMSA-N 360.454 2.119 0 40 FEAB COc1ccccc1NC(=O)NC[C@@]1(N2CCOCC2)CCSC1 31095311 UKPXTMLWHAMALC-KRWDZBQOSA-N 351.472 2.025 0 40 FEAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1c1cccs1 70017269 YTDIRDXLGUNACY-DLBZAZTESA-N 363.527 2.208 0 40 FEAB CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1N1CCC(O)CC1 50928585 ZICYKIANOUAXAR-UHFFFAOYSA-N 360.410 2.390 0 40 FEAB COc1ccc(C2=CC(=C3C(=O)NC(=O)NC3=O)c3ccccc3O2)cc1 2228225 GACOZAJCTIDNPF-UHFFFAOYSA-N 362.341 2.248 0 40 FEAB Cc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1O 3514354 JXOJTPXKFHZTCA-LBPRGKRZSA-N 357.362 2.291 0 40 FEAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3549090 IJKZNSBUZOPCSV-GTNSWQLSSA-N 351.834 2.268 0 40 FEAB Cc1ccc(S(=O)(=O)NCCOC(=O)c2ccc(N(C)C)cc2)cc1 6584465 NPEYASCXLOWICV-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc2C)c1 101591008 AOALFSXXHFNACC-LAQRGFTBSA-N 351.406 2.215 0 40 FEAB CSCC[C@H]1NC(=S)N(Cc2cccc(Cn3cccn3)c2)C1=O 55180293 XOSDCELYDRDMBR-OAHLLOKOSA-N 360.508 2.270 0 40 FEAB Cc1ccc(C(=O)N(C)Cc2nccn2C(F)F)cc1NS(C)(=O)=O 29183858 CNFMKELYOUTPFW-UHFFFAOYSA-N 372.397 2.230 0 40 FEAB Cc1ccc(NC(=O)CN2CCCCCC2)cc1S(=O)(=O)N(C)C 21821766 WLBOKCXVKKXQFT-UHFFFAOYSA-N 353.488 2.060 0 40 FEAB COCCOc1ccccc1C(=O)Nc1cccc(N2CCNC2=O)c1 53056139 YJTJJUPXUCZSHH-UHFFFAOYSA-N 355.394 2.494 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc3c(c2)OCO3)C[C@@H](C)O1 41911355 NIOYWSHRRLPNOE-OCESRQBRSA-N 360.454 2.433 0 40 FEAB COc1ccc(-c2nc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cs2)cc1 22551043 AZZVSQYGBIOTRP-MRXNPFEDSA-N 366.464 2.126 0 40 FEAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813758 BCAGBHWPWUNELW-GFCCVEGCSA-N 374.890 2.279 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2ccccc2)c1 15684533 VCBYZIOJEXWZFA-UHFFFAOYSA-N 361.419 2.205 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1CC[C@@H](C(N)=O)c2ccccc21 89618634 BJISTFRZURFKEL-OAHLLOKOSA-N 353.422 2.421 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 23428982 UBLOTQLOBHMJRM-HZPDHXFCSA-N 350.484 2.394 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23717323 SVRHMOGIHBFJOH-UHFFFAOYSA-N 371.437 2.297 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cn1 61718546 QGMSSMTZABVDIS-UHFFFAOYSA-N 354.341 2.092 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2noc(-c3cccs3)n2)c2ccccc21 24118212 NIKKVSVBZFJUIL-UHFFFAOYSA-N 370.390 2.195 0 40 FEAB CC1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 12543140 DEXOHNXIPVNDCA-LJQANCHMSA-N 372.513 2.414 0 40 FEAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOc2ccccc21 24585779 GDJUKCFWPUVODG-UHFFFAOYSA-N 358.419 2.167 0 40 FEAB O=C(Nn1c(S)nnc1[C@H]1COc2ccccc2O1)c1ccccc1 26841016 HGKPMTQDJXWNKB-CQSZACIVSA-N 354.391 2.463 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccsc2)N(C)C)C1=O 25331731 HNQCHDPVVMODHL-BBRMVZONSA-N 373.478 2.281 0 40 FEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 67795930 QKQDKBMKBGNLMD-YOEHRIQHSA-N 373.453 2.170 0 40 FEAB CCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408625311 XJIAVIZYCMAHAB-UHFFFAOYSA-N 367.343 2.315 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O 1795957 BGORJJLXLJKFMJ-JTQLQIEISA-N 357.375 2.190 0 40 FEAB in-vitro Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1-n1cnnn1 44246204 HNSBNFDEQWVXEP-MRXNPFEDSA-N 374.351 2.104 0 40 FEAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c(C)c1 57493061 SQYIJFAAEKEKQD-UHFFFAOYSA-N 371.462 2.355 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 27394569 AEDOQHFMNIVDPW-MRXNPFEDSA-N 366.483 2.160 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCC2=CCCCC2)Oc2ccccc21 20459603 RUYBCKPXURKIGL-KRWDZBQOSA-N 364.467 2.220 0 40 FEAB CN(c1ccccc1)c1ccccc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58369630 FZSCLBKNWHGQRS-OAHLLOKOSA-N 373.478 2.170 0 40 FEAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12813229 DNHBROMRNCUIOY-NSHDSACASA-N 374.466 2.446 0 40 FEAB COc1cc(CCC(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC 12920530 HNBRLEFBYJFGLK-UHFFFAOYSA-N 366.458 2.018 0 40 FEAB CCOCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccccc1 3626096 XMPQHWJCIKZCER-SFHVURJKSA-N 356.422 2.406 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccc(-n2cncn2)cc1 13199389 LJQIYGIVMOORON-LBPRGKRZSA-N 372.406 2.005 0 40 FEAB CCc1nnc2ccc(N3CCCN(C(=O)c4ccsc4)CC3)nn12 68669235 MTGRYTJJCKBEOR-UHFFFAOYSA-N 356.455 2.101 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 39998422 JKFYMLBLGSXRPN-GOSISDBHSA-N 350.418 2.222 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(F)c2)cc1 113870523 VINLFOUAFTXBCI-UHFFFAOYSA-N 366.370 2.064 0 40 FEAB Nc1nc(N)nc(CSc2nc(C(F)(F)F)nc3ccccc23)n1 14124954 IVSJAHRQBUVENU-UHFFFAOYSA-N 353.333 2.290 0 40 FEAB COc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 8006280 CAJHAKHNEXAOOP-UHFFFAOYSA-N 360.435 2.120 0 40 FEAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8033288 OYDHKXWKCHHLKP-UHFFFAOYSA-N 374.418 2.151 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccc(C(N)=O)cc2)C1 16548323 SRDFKTXWBBBYBT-HNNXBMFYSA-N 362.426 2.476 0 40 FEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 6880076 VRYCFZBTRGHQLM-HNAYVOBHSA-N 367.401 2.457 0 40 FEAB COc1cc(C(=O)OCc2nnnn2-c2ccccc2)cc(OC)c1OC 17528317 HVKGOIDHSMSMAC-UHFFFAOYSA-N 370.365 2.045 0 40 FEAB CN(c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O 22230725 UWCWYFFRAUALPV-UHFFFAOYSA-N 374.462 2.046 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3ncccn3)cn2CCN1CC1CCCC1 306129503 IFELXDHEXAXGBO-OAHLLOKOSA-N 368.485 2.099 0 40 FEAB CN(C(=O)c1sccc1Br)C1CCS(=O)(=O)CC1 72306462 CVIORDFTYCZHMM-UHFFFAOYSA-N 352.275 2.160 0 40 FEAB COC(=O)c1ccc(CN(C)Cn2ncc(Cl)c(Cl)c2=O)cc1 95349855 DUMZPAMIMCTVJD-UHFFFAOYSA-N 356.209 2.426 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cnccn1 85470779 ZWHYHDYHZUJDHI-ZDUSSCGKSA-N 364.384 2.081 0 40 FEAB CC[C@H](C)CS(=O)(=O)NC(=O)c1ccc(OCc2nccn2C)cc1 95958732 SVWOJKWYWBGYQK-ZDUSSCGKSA-N 365.455 2.105 0 40 FEAB COc1ccc(C)cc1CCNC(=O)Cc1n[nH]c(=O)c2ccccc12 9987226 TVSIQQAVQKWQTQ-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB Cc1ccc(-c2ccsc2C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 531382824 HGPQJSIALUOWRP-AWEZNQCLSA-N 355.419 2.100 0 40 FEAB COC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342831 JXDICQLJZUSOCX-AWEZNQCLSA-N 369.425 2.354 0 40 FEAB Cn1cc(C(=O)N2CCN(C3CCCC3)C[C@@H](Cc3ccccn3)C2)cn1 72355208 ZYMGXVXQDYXFBC-QGZVFWFLSA-N 367.497 2.374 0 40 FEAB COc1cccc(-c2cnc(CCC(=O)N3CCC(C(N)=O)CC3)o2)c1 224848683 LLCYEEJEEIVKHU-UHFFFAOYSA-N 357.410 2.007 0 40 FEAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 230217476 HVZJRELUYWVPSK-OGWOLHLISA-N 360.410 2.131 0 40 FEAB CCN1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@H](COC)C1=O 96208190 ARGAWJVAENVIIC-GOSISDBHSA-N 358.482 2.271 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248127556 MEWHXNWQYANNPA-QGZVFWFLSA-N 355.438 2.319 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257309009 TZDKBGSURHHXNQ-AWEZNQCLSA-N 360.435 2.271 0 40 FEAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CCCO3)CC2)nn1C 257239645 HQFXZGDCYYGHPX-BXWFABGCSA-N 362.518 2.393 0 40 FEAB CO[C@@H]1CN(CC(=O)N2CCSc3ccccc32)CC[C@]12CCCO2 257268545 MMESZNAZQIFSRD-IEBWSBKVSA-N 362.495 2.395 0 40 FEAB COCCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257248500 JDXKTXKFJRCHNI-SFHVURJKSA-N 368.861 2.240 0 40 FEAB COc1ccc([C@@H](NC(=O)c2cc(C)nc3c2c(C)nn3C)C(=O)O)cc1 262087442 FLIPSDGZXVXSEQ-MRXNPFEDSA-N 368.393 2.149 0 40 FEAB CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2csc(C(C)(C)C)n2)C1 275602577 IBLXMGTZAXYNOB-LBPRGKRZSA-N 374.514 2.159 0 40 FEAB C[C@H]1C[C@H](CCNS(=O)(=O)c2ccc(C(=O)O)c(F)c2)C[C@@H](C)O1 563637356 SYYSHUUIKNYQIV-ZSBIGDGJSA-N 359.419 2.396 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 575403868 PDJISOZGGQQQAZ-AWEZNQCLSA-N 357.410 2.332 0 40 FEAB NCc1cc(O)nc(CNC(=O)CCOc2ccc(Cl)cc2Cl)n1 662946570 WZHRBDOXCNBPQY-UHFFFAOYSA-N 371.224 2.033 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nccn2CC(F)(F)F)c1C 57792521 KTUOWVNJHHOURY-UHFFFAOYSA-N 372.347 2.449 0 40 FEAB CCOC(=O)CNC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C 4218057 RYNURAKYSLCLAP-MDZDMXLPSA-N 373.434 2.396 0 40 FEAB O=C(O)CCNC(=O)CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O 5544894 DWGCTMAAWNQCPM-UHFFFAOYSA-N 374.780 2.070 0 40 FEAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)C1 19017056 KIHDLSGJCXLELQ-INIZCTEOSA-N 356.470 2.277 0 40 FEAB COc1ncc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cn1 19572155 JLGFABYRHHFNHL-FXAWDEMLSA-N 352.438 2.124 0 40 FEAB O=C(c1ccc2nccnc2c1)N1CC(Cn2cc(Br)cn2)C1 1889214027 MHKSYEQXLQQYDM-UHFFFAOYSA-N 372.226 2.361 0 40 FEAB C[C@H]1CCc2c(sc3ncnc(NCCCNS(C)(=O)=O)c23)C1 29530402 JQVLGILANUQNDO-JTQLQIEISA-N 354.501 2.167 0 40 FEAB Cc1ncnc(N2CCN(C(=O)c3ccc(COC(C)C)o3)CC2)c1F 1776009577 JYNWEGLLXYZDSM-UHFFFAOYSA-N 362.405 2.405 0 40 FEAB Cn1cc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037840409 MAAQMPOCTZMXRM-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3ccncc3Br)C2)nc1 2086966135 COCSNBNEXPIWBV-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)cn1 1565545576 KRFPMTWWUHPRLT-UHFFFAOYSA-N 359.470 2.135 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)cs1 1565542139 UNKCBRHUORVASF-MSOLQXFVSA-N 357.479 2.106 0 40 FEAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1 5328926 XUESRKVAQJDULV-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 11988638 IPPBHEMGTQDINU-UHFFFAOYSA-N 370.380 2.383 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCC(C)C)c(=S)[nH]c2c1 12416134 SIRBYFVSRYQUPX-UHFFFAOYSA-N 363.439 2.008 0 40 FEAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1 16976147 ANWLGKRZIGMQLW-UHFFFAOYSA-N 351.403 2.112 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)[C@H](C)Oc4ccccc4F)C[C@H]3C2)ncn1 1889362913 KYOUNFSCYXHKCQ-HRCADAONSA-N 370.428 2.286 0 40 FEAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)c3ccccc3F)C2)nn1 1889607844 QHHPYXJOCUXGFD-CYBMUJFWSA-N 351.403 2.014 0 40 FEAB Cc1cc(=O)n2nc(N3CCN(c4ccccc4Cl)CC3)sc2n1 40039752 IZGFIMRCNRCPKE-UHFFFAOYSA-N 361.858 2.439 0 40 FEAB Cc1ccc(NC(=O)CN2CCC(c3nnc4n3CCC4)CC2)cc1F 40149553 PTPLESMKVRPXSY-UHFFFAOYSA-N 357.433 2.490 0 40 FEAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NC1CCCC1 11027489 LSUNPDLKHRMACR-UHFFFAOYSA-N 359.470 2.063 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1C 3516475 AYGUNSBDGUUXBD-GFCCVEGCSA-N 350.415 2.412 0 40 FEAB CCOC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 4186294 ORWYPJBPIOYHHB-GOEBONIOSA-N 364.442 2.395 0 40 FEAB CCc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 7605793 QEKAOZWDYXUDMF-CYBMUJFWSA-N 372.446 2.271 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(Cn3cncn3)cc2)cc1OC 11595483 XYUVXACQPIMAII-UHFFFAOYSA-N 366.421 2.316 0 40 FEAB CCc1nn2c(=O)c(CC(=O)OC)c(C)[nH]c2c1-c1ccccc1OC 10338607 URITWDRHYREYSB-UHFFFAOYSA-N 355.394 2.285 0 40 FEAB CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)CC)C(F)(F)F 20828797 AWNJHVMLZCCILB-AWEZNQCLSA-N 350.312 2.263 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 8328432 TVZAAIISUJCZCK-MRXNPFEDSA-N 366.417 2.436 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@H](C)O1 21057207 CMAQTJUHSAJARI-KBPBESRZSA-N 357.454 2.146 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32796070 MFNWIKRFPOOXCZ-MRVPVSSYSA-N 365.149 2.481 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(CN2CCCC2=O)c1 21597849 DJXGUAKTISVTGC-QGZVFWFLSA-N 366.417 2.379 0 40 FEAB Cc1nn(Cn2ccc(C(=O)NCC(C)C)n2)c(C)c1Br 28233989 KELKIRARFDVLHM-UHFFFAOYSA-N 354.252 2.351 0 40 FEAB FC(F)(F)c1nnc2ccc(NCc3ccc(-n4cncn4)cc3)nn12 32935539 UZLFJYLKUIHYKD-UHFFFAOYSA-N 360.303 2.336 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 102696131 JWCLYULVJORWMV-RDBQEKCUSA-N 352.173 2.277 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1Cn1cccn1 102952910 AEMRVEJQZHQKIO-HZPDHXFCSA-N 366.421 2.045 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 53115254 XNRPWOZERRMSPU-DOTOQJQBSA-N 357.458 2.360 0 40 FEAB O=C(c1cnccn1)N1CCO[C@H]2CCN(Cc3ccccc3Cl)C[C@@H]21 108529398 GMGDAYPSEPSMAZ-ROUUACIJSA-N 372.856 2.246 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)COc2ccc(F)cc2)C1 57994239 FZOMNYJCMSRRTD-KGLIPLIRSA-N 351.422 2.151 0 40 FEAB Cn1cnn(CN2CCN(CCOc3ccccc3Cl)CC2)c1=S 23249079 OQVSIYDNGLQHRC-UHFFFAOYSA-N 367.906 2.259 0 40 FEAB O=C(c1ccncc1F)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108529626 OWXPEYDRUXXXJQ-CQSZACIVSA-N 371.416 2.277 0 40 FEAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 61718648 VCHGPCGTYHCITR-UHFFFAOYSA-N 370.438 2.329 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1OC 24433292 RWDYGHONVAAYRF-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CN(CCCNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 12553408 OSOZIRYVNIYOOI-UHFFFAOYSA-N 360.479 2.488 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(Cc4cncc(Cl)c4)C3)C2)cn1 108525087 ONSFVYBMZPHDMV-UHFFFAOYSA-N 359.861 2.253 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CNC(N)=O)cc1 12599266 JGYQCPZRRDEEIM-LBPRGKRZSA-N 371.393 2.048 0 40 FEAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-n2cnnn2)cc1 25175335 OHYCSXQPPOTNRA-UHFFFAOYSA-N 357.801 2.467 0 40 FEAB Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1C 15831857 JYIXCWOSMZDXQQ-GOSISDBHSA-N 358.438 2.465 0 40 FEAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 57993701 NXRGODDPWFKMMV-HUUCEWRRSA-N 370.419 2.449 0 40 FEAB Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1C 62006711 AHJIRTJYHJNWFQ-UHFFFAOYSA-N 365.368 2.439 0 40 FEAB O=C1CCc2cc(OC[C@@H](O)CNc3ncnc4sccc34)ccc2N1 58180103 AABZGKCEGGPTHW-LBPRGKRZSA-N 370.434 2.428 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 10104935 YULGGUPLKFZQRH-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB COC(=O)c1ccccc1NC(=O)CC(=O)Nc1ccccc1C(=O)OC 2250688 WEAXFFZWFSZZNH-UHFFFAOYSA-N 370.361 2.227 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 15905677 ZIBLVJPAVSRSNK-DCXXXQMHSA-N 361.401 2.002 0 40 FEAB CCOc1ccc(NC(=O)CSC)cc1S(=O)(=O)N(CC)CC 7777049 CEMJXIQPDARQHX-UHFFFAOYSA-N 360.501 2.417 0 40 FEAB O=C(Cn1nnc(-c2cccs2)n1)NC(=O)NCCC1=CCCCC1 7718955 APUHOSGBZLTLTC-UHFFFAOYSA-N 360.443 2.118 0 40 FEAB COc1ccc(OC)c(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c1 16628710 HXAPMWMZYUSHKD-HNNXBMFYSA-N 372.421 2.414 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)c2ccc[nH]2)nc1 14094617 YFULKMFINCGBHE-UHFFFAOYSA-N 353.469 2.415 0 40 FEAB CC(C)c1n[nH]c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 14110875 OGZQUASYZMCREN-GFCCVEGCSA-N 362.455 2.319 0 40 FEAB Cc1cc(C)c([C@H](C)NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1C 14198092 IHSKXDKRARWANO-HNNXBMFYSA-N 373.453 2.236 0 40 FEAB COc1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 6723756 QFJUZULYLGHNJF-UHFFFAOYSA-N 355.350 2.201 0 40 FEAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccccn2)CC1 8314016 GPTOYNHJIMXKAC-MRXNPFEDSA-N 368.462 2.233 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 7046834 YOPAAHOXSFLEFT-UHFFFAOYSA-N 372.421 2.430 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 8844936 FLBMGORCCBVIOG-LJQANCHMSA-N 371.368 2.240 0 40 FEAB CCOc1ccccc1-n1nnnc1SCCn1c(C)csc1=O 9050278 QUSZESUQDYJTSJ-UHFFFAOYSA-N 363.468 2.385 0 40 FEAB CCCc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 9484430 RKTQIJXXVDKDJT-GOSISDBHSA-N 358.463 2.240 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 9512138 AWRSIFZISOYCPB-HXUWFJFHSA-N 366.373 2.203 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C(N)=O)C1 9595486 RJINPVDNXGHIQD-HOTGVXAUSA-N 358.486 2.201 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 72284202 YPQGZVXJLNWKKU-PKOBYXMFSA-N 353.422 2.138 0 40 FEAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241673 VACMKVYGCNDYFS-DLBZAZTESA-N 362.426 2.444 0 40 FEAB Cn1nc(-c2ccncc2)cc1NC(=O)C(=O)N[C@H]1CCc2ccccc21 84303633 GDSOEYLYOAYIKJ-INIZCTEOSA-N 361.405 2.224 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)oc1C 25587822 KJPBYWJIAIQOQL-UHFFFAOYSA-N 355.394 2.422 0 40 FEAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1 36700247 VAHVFCKVAMGJDK-IBGZPJMESA-N 360.479 2.429 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)c(OC)c1 39561291 UHDJDQQMFXDOTK-UHFFFAOYSA-N 367.409 2.016 0 40 FEAB COc1ccc(CCNC(=O)C[C@H](c2ccsc2)n2cnnn2)cc1 524734567 RKWLBQYFUVDTJM-MRXNPFEDSA-N 357.439 2.082 0 40 FEAB O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679708 URWJCZYPGBHPJO-GXTWGEPZSA-N 373.434 2.493 0 40 FEAB O=C(COc1ccccc1)N1CCC(c2cncc(-n3ccnc3)n2)CC1 72355414 BCIRTYIEQOEWMO-UHFFFAOYSA-N 363.421 2.447 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218060612 IAIHLIFPOLPONP-HLLBOEOZSA-N 366.822 2.343 0 40 FEAB CC1(C)CC(=O)C([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)C(=O)C1 31772136 UAOPEVVASXATSF-LJQANCHMSA-N 359.422 2.363 0 40 FEAB COC(=O)c1sccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 40448016 BAIMMGNTDBERHX-UHFFFAOYSA-N 370.471 2.466 0 40 FEAB Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCc2ccco2)n1 40389114 FTNXNFLBOUVBNY-UHFFFAOYSA-N 352.398 2.341 0 40 FEAB Cc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)nc1 85877121 YNPXQBJSGZGTHS-UHFFFAOYSA-N 350.378 2.064 0 40 FEAB biogenic CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1F 573303340 OPHJVLCUAJMSIM-ZBEGNZNMSA-N 364.808 2.395 0 40 FEAB COc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C 224295929 UXRKSNDLAZIJFN-UHFFFAOYSA-N 350.444 2.277 0 40 FEAB COc1ccccc1CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1 44921270 AANAJKOOYYFJBK-UHFFFAOYSA-N 351.410 2.260 0 40 FEAB CCCOc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225213122 ZVVZKMSJMNIAAO-AWEZNQCLSA-N 356.488 2.402 0 40 FEAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 1592326239 WDTODHUITSDOAC-RFAUZJTJSA-N 351.414 2.114 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccoc4)C3)OCC2=O)s1 96051455 HHDRHCNNHSWCOW-SFHVURJKSA-N 362.451 2.284 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4cccnc4)CC3)OCC2=O)n1 96062181 WAQPGIPHWVXUIY-UHFFFAOYSA-N 366.465 2.179 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 96240815 IZOYIGCKQIPJFH-QGZVFWFLSA-N 357.454 2.473 0 40 FEAB O=C(c1cncnc1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257229831 FZQGLHGCNAEOLD-ICSRJNTNSA-N 353.422 2.457 0 40 FEAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257248112 JCDUYPQKDFCRQQ-HNNXBMFYSA-N 361.423 2.247 0 40 FEAB Cc1nc2cc(CCC(=O)N3CCC[C@](O)(CN(C)C)CC3)ccc2[nH]1 257319440 VSODJXQTDPGDPD-HXUWFJFHSA-N 358.486 2.109 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257326825 WYTDSJAMORKDGJ-MJGOQNOKSA-N 357.385 2.458 0 40 FEAB COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C(=O)O)cc(Br)c1F 592993197 ZDSVWZFHBHLMMS-RNFRBKRXSA-N 360.135 2.034 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1cc(=O)c2ccccc2o1 90744221 QJCNPVRMWMOJJT-MRXNPFEDSA-N 351.358 2.191 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCc3ccccc32)c1 1261272584 MKRDTRKQVNPKCB-CYBMUJFWSA-N 362.426 2.323 0 40 FEAB CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1C 96389567 XLCGBSDOEDUEMO-SFHVURJKSA-N 370.405 2.209 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3ccco3)[C@@H]3OCC[C@H]32)c1 585109695 ZYKZWXJNCVKWJQ-OTWHNJEPSA-N 368.433 2.442 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109674 ZFHPYAXAPLTDAF-IXDOHACOSA-N 356.447 2.294 0 40 FEAB CC(C)n1ncc2cc(NC(=O)N3CCN(c4cnccn4)CC3)cnc21 48063682 VXDURNCFZHZAEG-UHFFFAOYSA-N 366.429 2.156 0 40 FEAB COC1(CNS(=O)(=O)c2c(C)nn(C)c2C)C2CC3CC(C2)CC1C3 96123900 UGEXCKCRHUHPCW-UHFFFAOYSA-N 367.515 2.157 0 40 FEAB CCCN(CCN(C)C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 78710666 KCXHUSPGJKXNJH-UHFFFAOYSA-N 362.449 2.104 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)NCc2ccc(F)cc2)C1 100216030 WHOURFSYHKBHBU-HUUCEWRRSA-N 357.454 2.481 0 40 FEAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O 8105155 VTCXCBLWBIPKQK-LCYFTJDESA-N 366.464 2.207 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11859903 RNIOLUYSZZRASJ-AQRJEWBLSA-N 367.373 2.161 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 17323768 LORBSOSMCWAVFC-KBPBESRZSA-N 362.451 2.239 0 40 FEAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccnn1C)C2 19289173 YRDOCEUCZHVXNC-IBGZPJMESA-N 355.438 2.422 0 40 FEAB CCC(CC)C(=O)N1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 19500072 CUZCHXHKLBVRCC-HNNXBMFYSA-N 358.490 2.140 0 40 FEAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(CCc1ccccc1)CN2 19939333 XWMTYCOVYQPKBX-UHFFFAOYSA-N 366.396 2.093 0 40 FEAB COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@H]23 253393481 BKMGDPNQILJWLI-MXTMVPOJSA-N 354.450 2.416 0 40 FEAB biogenic,in-vitro O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888849683 INMSOKDLYTXYCC-QWRGUYRKSA-N 351.332 2.032 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888881768 LLIYREYNXLMTCM-CQSZACIVSA-N 359.451 2.444 0 40 FEAB Cc1noc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)n1 1888962471 WYHHNPKGCQELHC-UHFFFAOYSA-N 371.416 2.448 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(Cn2cccn2)c1 31968724 WQFWUPZSXUVXOU-UHFFFAOYSA-N 359.389 2.280 0 40 FEAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cccc(Cl)n1)CC2 1565551533 OSDZTTQZGDTOCP-UHFFFAOYSA-N 359.813 2.466 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374200 KGKWLOJYTGKGLA-CYBMUJFWSA-N 357.341 2.481 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)cn23)n(C)c1=O 4370335 UYUGDIGXSJREFX-UHFFFAOYSA-N 351.410 2.084 0 40 FEAB Cn1cc(C(=O)Nc2nccs2)c2nn(-c3ccccc3)c(=O)c-2c1 9661367 XJCIMOJASVFKID-UHFFFAOYSA-N 351.391 2.385 0 40 FEAB CCOC(=O)[C@](NCc1ccco1)(NC(=O)c1ccco1)C(F)(F)F 19938851 QUDZNXFBDSBETK-AWEZNQCLSA-N 360.288 2.214 0 40 FEAB CC(C)S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973190 JQWQZKIAJVNJRF-UHFFFAOYSA-N 364.446 2.141 0 40 FEAB C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC=CCC1 1784753185 XUDYWNIRTLORLP-NHCUHLMSSA-N 369.465 2.272 0 40 FEAB CCn1cnc2c(N3CCN(Cc4ncoc4C(C)C)CC3)ncnc21 2086865404 UOROCGLEGNDMCR-UHFFFAOYSA-N 355.446 2.280 0 40 FEAB Cc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 49026357 QKZRNNRGDKCTHN-UHFFFAOYSA-N 368.393 2.042 0 40 FEAB C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(-n2ccnc2)cc1 40009641 FLYZERIMUTZGNB-GFCCVEGCSA-N 365.418 2.433 0 40 FEAB Cc1ccc(CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 40058116 ONFWCFJBNDOISE-UHFFFAOYSA-N 358.442 2.049 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 3436213 VHWXRNTYXYNKON-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)c2cc(F)ccc2OC)nc1N 4127258 CIBXYZWFPDQGLI-UHFFFAOYSA-N 365.386 2.358 0 40 FEAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 11665697 PUECKTKGZGDSKZ-CQSZACIVSA-N 370.236 2.480 0 40 FEAB COc1ccc(Br)cc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101675507 XMIUXBIPLDQVFZ-SNVBAGLBSA-N 351.160 2.033 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103239137 ODGDLURDLVPJBV-RCBQFDQVSA-N 360.841 2.338 0 40 FEAB CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)nc2)cc1OC 42289592 WEWUTXRZXQYBCG-UHFFFAOYSA-N 370.814 2.261 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccnc2)s1 24430674 FNMMADSEZAHTSX-ZDUSSCGKSA-N 351.453 2.243 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1OC 58341291 AEKZBCWOHWSMAP-UXLLHSPISA-N 362.470 2.418 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCCc1ccc(OC)cc1 106110726 GPAFMBNSVUMKLE-NEWSRXKRSA-N 374.481 2.160 0 40 FEAB Cc1ccccc1CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 25132775 FJVHWBVPNIWWKN-UHFFFAOYSA-N 366.870 2.286 0 40 FEAB Cc1c(C(=O)NCCN(C)c2ccccc2)sc2ncn(C)c(=O)c12 12548797 DVZVVGWRYZWJRJ-UHFFFAOYSA-N 356.451 2.170 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1=O 57477481 DTGIFSMACQEALG-GASCZTMLSA-N 357.454 2.078 0 40 FEAB Cc1cnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 28223546 PDDBEPMIWOKINJ-CYBMUJFWSA-N 365.480 2.491 0 40 FEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 44839844 FLQWMXIAORDIRP-HNNXBMFYSA-N 365.433 2.451 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)c1ccccc1O 44821473 NBNLWFMBBYDLHQ-CQSZACIVSA-N 354.362 2.364 0 40 FEAB CN(C)C(=O)CCNC(=O)NCc1ccc(Br)cc1Cl 58209829 SSJMCSXDEWOGRP-UHFFFAOYSA-N 362.655 2.380 0 40 FEAB COc1cccc(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2F)n1 27960133 GEKMVJNDCRGOIP-UHFFFAOYSA-N 356.375 2.072 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1F 8260363 QHANXSOBOMAKFD-SECBINFHSA-N 350.371 2.479 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N(C)Cc1ccsc1 12697524 LXFVLOVKVBLQTE-UHFFFAOYSA-N 367.496 2.139 0 40 FEAB NC(=O)c1cn(CC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc12 48309773 TZHGHXGGKQLCSI-IBGZPJMESA-N 363.417 2.340 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)NCc2ccccc2Cl)CC1 13023478 SJWZAFRQFXDXLI-UHFFFAOYSA-N 366.893 2.082 0 40 FEAB CCCC(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 408625377 XYVWBHYEMXXYKV-UHFFFAOYSA-N 374.495 2.452 0 40 FEAB Cc1ccc(C[C@@H](C)NC(=O)NC2CCN(CC(=O)N(C)C)CC2)c(C)c1 69443076 ZIDMTILPSHBSGF-QGZVFWFLSA-N 374.529 2.086 0 40 FEAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2 5002194 CSSNCWXNZDZRAD-UHFFFAOYSA-N 368.455 2.020 0 40 FEAB C[C@H]1CCN(C(=O)COC(=O)c2nccnc2N)c2ccccc2S1 5040429 ZRDMFPOGGVYPMF-NSHDSACASA-N 358.423 2.133 0 40 FEAB COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(OC)cc1C 5016694 CVMCVHNIHZFZJG-UHFFFAOYSA-N 365.407 2.219 0 40 FEAB C[C@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC[C@@H]1c1cccs1 14095909 YHOKXMFBWRKOIW-VXGBXAGGSA-N 367.496 2.085 0 40 FEAB COC(=O)CCn1c(C)cc(C(=O)Cn2cnc3ccccc3c2=O)c1C 5316274 ZHXCHAGBZHEVST-UHFFFAOYSA-N 367.405 2.261 0 40 FEAB O=C(c1cnn(C(=O)[C@@H]2COc3ccccc3O2)c1)c1cc(F)ccc1O 14169884 DHARNUGPKYVBNQ-KRWDZBQOSA-N 368.320 2.439 0 40 FEAB Cc1ccc(NC(=O)C2(N(C)C(=O)Cc3n[nH]c(N)n3)CCCCC2)cc1 6659342 ISJJHDUBHBJPRK-UHFFFAOYSA-N 370.457 2.038 0 40 FEAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1N1CCOCC1 7722893 XIPUXMCKHJEDMX-UHFFFAOYSA-N 365.434 2.005 0 40 FEAB Cc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1N 9339219 JLROGJZXLFIFSL-LBPRGKRZSA-N 356.378 2.168 0 40 FEAB COc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc(OC)c1OC 9485124 QVIBIENJQAUYES-ZDUSSCGKSA-N 372.425 2.358 0 40 FEAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(OCC3CC3)nc1)CC2 95939059 TTZAMVBKOOTUQU-OAHLLOKOSA-N 355.442 2.330 0 40 FEAB C[C@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nn1 95998066 ZKVAWIUVOFBXTR-NSHDSACASA-N 364.833 2.226 0 40 FEAB CN(C)[C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 89313991 XOSMGDBXDMIMDM-JKSUJKDBSA-N 359.470 2.181 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1nc(Cc2ccc(F)cc2)n[nH]1 79475265 WIFFOAFUWGLRBB-OAHLLOKOSA-N 365.368 2.348 0 40 FEAB CC(C)(C)Nc1nc(CC(=O)c2ccccc2)nc(N2CCOCC2)n1 21260855 UKWKIWJDYSHPLJ-UHFFFAOYSA-N 355.442 2.344 0 40 FEAB CCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408597937 WUVTXQRNIBABJI-AWEZNQCLSA-N 356.488 2.305 0 40 FEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217502106 GNRJBCWHGDABQC-OCCSQVGLSA-N 370.471 2.443 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 1566480123 DAVKBGISDLVAQF-INIZCTEOSA-N 354.410 2.365 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218410783 QQPZBFLRJJWFDG-OALUTQOASA-N 360.475 2.468 0 40 FEAB Cc1csc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 571020281 JKEGAVRYUPBSAV-LBPRGKRZSA-N 350.465 2.427 0 40 FEAB Cc1cccc(C(=O)N2C[C@H](C(=O)N3CCCC3)C3(CCOCC3)C2)c1 96240905 SYDMQQXDDNMGMW-GOSISDBHSA-N 356.466 2.486 0 40 FEAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCCC1 96042929 JMALHDIINXVBDV-ZYSHUDEJSA-N 358.438 2.017 0 40 FEAB COc1ccc(-c2nn([C@H](C)C(=O)NCC(C)C)c(=O)cc2OC)cc1 96101082 KJNLFOJIDIQCRL-CYBMUJFWSA-N 359.426 2.261 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1c1ncccn1 96240396 MYZMBVJZIBWTSA-MRXNPFEDSA-N 356.426 2.217 0 40 FEAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1ccc(Cl)cc1)C2 247985308 KKTQQNMSAQMHTM-MRXNPFEDSA-N 352.862 2.178 0 40 FEAB COCC(=O)NCC[C@H]1CN(Cc2sccc2C)Cc2ccnn2C1 253599048 KJNBDAXFEVVBGP-HNNXBMFYSA-N 362.499 2.038 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1 257205814 BASBPJQCQAFJDT-KRWDZBQOSA-N 365.393 2.357 0 40 FEAB Nc1cnc(C[C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)CC2)cn1 257246604 IUVMPHNYXJUELZ-ZDUSSCGKSA-N 352.442 2.211 0 40 FEAB Cc1ncc(CNS(=O)(=O)C2CCCCC2)c([C@@H]2CCCN2C)n1 257221382 DOUOZOGMHSFPLW-INIZCTEOSA-N 352.504 2.304 0 40 FEAB C[C@H](NC(=O)c1cn(C)nc1C1CCOCC1)c1c(F)cncc1F 644478144 GDFACAUCZQUNKS-JTQLQIEISA-N 350.369 2.478 0 40 FEAB COc1cccc([C@](C)(CC(=O)O)NC(=O)[C@@H]2CCc3ncncc3C2)c1 649251616 ISHMSTWRFCCGLT-XCLFUZPHSA-N 369.421 2.096 0 40 FEAB CCOc1cc(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)ncn1 681230847 IKSWOXNXGIGHAB-MRXNPFEDSA-N 362.861 2.384 0 40 FEAB Cn1ccc2c(C(=O)N3CCC([C@@H]4CC[C@H](C(N)=O)O4)CC3)cccc21 1775957841 PMUOTRBRNDIUQF-ZWKOTPCHSA-N 355.438 2.063 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](O)C2)C3)cc1 585105157 ZTMWIZONVWKJIH-PMACEKPBSA-N 372.509 2.463 0 40 FEAB CC(=O)Nc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 585292314 GYBYEBYBRAGSKY-VAMGGRTRSA-N 358.413 2.105 0 40 FEAB O=C(COC1CCCC1)NCC(=O)Nc1ccc(Br)cc1 55549342 CVKDLDNPTVPASN-UHFFFAOYSA-N 355.232 2.463 0 40 FEAB COc1ccc(CN2CCC(CNC(=O)c3cnc(C)cn3)CC2)cc1 12115069 UKVFIBXOYBOMLA-UHFFFAOYSA-N 354.454 2.436 0 40 FEAB C[C@@]1(NC(=O)CCCSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 12535769 LUPULLCQQHRSNS-MRXNPFEDSA-N 367.496 2.129 0 40 FEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccccn1 12668062 SMPIJNJNFXARQS-ZDUSSCGKSA-N 358.467 2.289 0 40 FEAB CC(C)n1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cn1 19454907 OYIPZOIKTJRTIJ-OAHLLOKOSA-N 368.485 2.262 0 40 FEAB Cc1nnsc1C(=O)N1C[C@H]2CCc3nnc(-c4ccccc4)n3[C@H]2C1 19563531 SVSQTGXRWOUMPP-KGLIPLIRSA-N 366.450 2.365 0 40 FEAB Cc1nn(C)cc1NC(=O)CN1CCN(c2nc3ccccc3s2)CC1 19658824 NSAKDRRUQUEJGT-UHFFFAOYSA-N 370.482 2.099 0 40 FEAB Cc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc([C@H]2CCCN2)n1 19698041 SNSNZQJJZLTENF-LJQANCHMSA-N 354.502 2.179 0 40 FEAB c1ccc(N2CCCC2)c(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c1 19711029 MBMNVZVPRWYEKX-SFHVURJKSA-N 366.513 2.361 0 40 FEAB CCc1nnc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)[nH]1 19818948 VMYFPQMPQFBSBI-UHFFFAOYSA-N 372.392 2.084 0 40 FEAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc2c1OCC2 557636603 DVBZPAALVQUJTE-MQVJKMGUSA-N 373.478 2.454 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(N(C)C)ccn2)CC1=O 680258908 YZQAABCTVUFCER-CYBMUJFWSA-N 354.410 2.148 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2O1 7254118 TXFWYIQQBIOQAZ-IBGZPJMESA-N 365.433 2.127 0 40 FEAB O=C1[C@@H](N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CCN1C1CC1 1776009035 RUZKMUBTVPRMCP-ZDUSSCGKSA-N 370.375 2.102 0 40 FEAB O=C(Nc1cc(O)n(-c2ccccc2)n1)c1cccnc1O[C@H]1CCOC1 245093459 ROJXFHAYZUHEBM-AWEZNQCLSA-N 366.377 2.393 0 40 FEAB COc1cc(C(=O)N2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)on1 1614931527 HFTWEWRHBQMLBN-IBGZPJMESA-N 355.394 2.343 0 40 FEAB COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1 4148027 FGLZLWMUWPJZDW-UHFFFAOYSA-N 351.380 2.268 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)c(C)n23)n(C)c1=O 4250771 MBIZOFGIGDIQAK-UHFFFAOYSA-N 365.437 2.392 0 40 FEAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N(C)C)cc1 10331921 UNIPRUREMJVEPQ-MRXNPFEDSA-N 369.421 2.081 0 40 FEAB CCCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12347063 ZLDSTQHFEZDKRL-CRAIPNDOSA-N 371.437 2.105 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@H]2CCCC[C@@H]2O)CC1 585503437 RJOCHHXBYCVTOD-PMACEKPBSA-N 368.481 2.321 0 40 FEAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2N)cc1 9748821 CSNIBFYRRMGTKE-UHFFFAOYSA-N 365.393 2.256 0 40 FEAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1C[C@@H]2CCC[C@H](C1)C2=O 30802935 HBVUCZYHOMEBQS-MZBDJJRSSA-N 358.438 2.396 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078957 XUIWVCFZTBMYSG-LFRPXUGBSA-N 369.465 2.161 0 40 FEAB O=C(COC(=O)c1ccccc1F)Nc1ccccc1N1CCOCC1 6815993 HPVLRQYBOVOYEO-UHFFFAOYSA-N 358.369 2.458 0 40 FEAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 6850387 NRTLEIIZQODUKU-UHFFFAOYSA-N 357.391 2.358 0 40 FEAB CC(C)C(=O)N1CCC(NC(=O)NCCCN2CCc3ccccc32)CC1 29731113 KCIHTCDIJRTCSL-UHFFFAOYSA-N 372.513 2.385 0 40 FEAB Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3C)cc(=O)n2c1 2629134 RSMPYVXCKSNWPW-UHFFFAOYSA-N 364.434 2.486 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCOCC2)nc1 21589438 PXWYAAMDIZOJIQ-UHFFFAOYSA-N 364.409 2.060 0 40 FEAB COc1ccc(Cn2nnnc2SCCC(=O)Nc2cc(C)on2)cc1 32805918 FFHAZPXWRPFQEY-UHFFFAOYSA-N 374.426 2.147 0 40 FEAB Cc1cc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)no1 2637122 FNOQHLASVKCXHP-UHFFFAOYSA-N 350.338 2.129 0 40 FEAB COc1cccc(CN(C)CCC(=O)N2CCN(c3ccccn3)CC2)c1 37170643 FKQHAZXOJGHHMR-UHFFFAOYSA-N 368.481 2.261 0 40 FEAB Cc1cc(C)c(/C=C/C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C 46582558 FBXGUBBWFWLXFO-AATRIKPKSA-N 350.484 2.165 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(-n2ccnc2)nc1 33044075 BOHSPEZTVNAUAL-ACJLOTCBSA-N 350.378 2.112 0 40 FEAB COc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1OCC(N)=O 16960455 XCSLWWAEQLQEOD-UHFFFAOYSA-N 364.442 2.411 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccnc2ccnn12)S(=O)(=O)C1CCCCC1 108718685 NAFLWRCUBJWRMO-INIZCTEOSA-N 364.471 2.440 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCN(Cc2ccsc2)CC1 23248995 LAUWPMMBJKEOMP-CQSZACIVSA-N 364.515 2.023 0 40 FEAB CC(C)[C@@H](CNC(=O)CCn1ccc2ccccc21)N1CCN(C)CC1 42582792 JXDCKLQMDVUDST-HXUWFJFHSA-N 356.514 2.420 0 40 FEAB S=c1n(CN2CCOCC2)nc(CN2CCCC2)n1-c1ccccc1 12542562 ATYUARLNVITOHU-UHFFFAOYSA-N 359.499 2.289 0 40 FEAB CN(C)C(=O)COc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1 55871858 NCJQGQKZWDQNEE-UHFFFAOYSA-N 363.364 2.482 0 40 FEAB COC(=O)c1oc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C 25950271 CBJORUHMGRNHPJ-UHFFFAOYSA-N 360.385 2.472 0 40 FEAB O=C(Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768306 HMLOYCKUHHXLHP-UHFFFAOYSA-N 358.463 2.330 0 40 FEAB CCCn1c(SCC(=O)NCCCOC)nc2ccsc2c1=O 57425137 PVADGZVBRXYFHH-UHFFFAOYSA-N 355.485 2.113 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](CC(C)C)N2CCOCC2)cc1C 24976549 ALFCOVVVCVJOGC-KRWDZBQOSA-N 354.516 2.329 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1 58214500 WJDVRQFUSFINQZ-KRWDZBQOSA-N 370.453 2.481 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)Cc2noc3ccccc23)CC1 58225437 KSVQFUFIJBMLCY-UHFFFAOYSA-N 353.378 2.256 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)COc3ccc(F)cc3)cc21 58208426 AEFBADZJZOPKLM-UHFFFAOYSA-N 373.384 2.313 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2C)CCO1 58210745 YKEWEMQDAJDADI-NSHDSACASA-N 352.485 2.273 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(OC)c1OC 3216407 XCLRLWIWKLBLOH-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCn1nnc2ccccc2c1=O 3347919 WGWNANLBUPYCSN-UHFFFAOYSA-N 372.406 2.243 0 40 FEAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 12863015 OULUDUQAAWKKAR-LLVKDONJSA-N 352.485 2.414 0 40 FEAB Cc1n[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1=O 17056692 MNNZTDRRQUNDJZ-UHFFFAOYSA-N 361.449 2.385 0 40 FEAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 408594079 RYZZIHTYNYZDQV-SZJBZFAYSA-N 352.774 2.495 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(OC)c1 22509320 ZRVRZKQJMMWEQS-UHFFFAOYSA-N 370.453 2.032 0 40 FEAB Cc1ccccc1C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13729635 KOVWUROOBWBYGI-UHFFFAOYSA-N 359.389 2.347 0 40 FEAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cc1C 8508091 FCUARGFWJRJGDW-CQSZACIVSA-N 362.455 2.098 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 5170051 HXPFXYJNELREJH-LBPRGKRZSA-N 363.373 2.047 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1c[nH]c2ccccc12 6384065 XXRZYSRFMMKBRV-UHFFFAOYSA-N 366.373 2.219 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 4452446 JSGUUJJHPGXVAY-UHFFFAOYSA-N 356.330 2.269 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 5517326 CGXGXUFMSOLDRU-CQSZACIVSA-N 369.343 2.192 0 40 FEAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)on1 6832209 HJRIZKJRXAZKJP-ZDUSSCGKSA-N 359.382 2.004 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@H]1C[C@H]1c1cccc(F)c1 67106532 BACMVXQJUJNBDQ-KBPBESRZSA-N 360.414 2.027 0 40 FEAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCCc2ccc(F)cc21 90142302 XYINPBCHRRLABP-MRXNPFEDSA-N 354.385 2.206 0 40 FEAB CCc1cc(N[C@@H]2CCCN(c3ccccc3F)C2=O)n2ncnc2n1 90149874 CLZIQGZUWPFLAD-CQSZACIVSA-N 354.389 2.433 0 40 FEAB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C(=O)OC)cc3)c(=O)c12 7552657 OSYIEOLGQLUAMW-UHFFFAOYSA-N 370.361 2.310 0 40 FEAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc2ccccc2c1 7883110 CPTFTJIEPGVRCT-MRXNPFEDSA-N 369.446 2.499 0 40 FEAB Cn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccc(Cl)cc1 9263887 UJGWIDVPWYMIRX-UHFFFAOYSA-N 367.887 2.447 0 40 FEAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)NCc1ccco1)S2 9236479 ZBYDWVZZGTUGKG-HUUCEWRRSA-N 355.423 2.255 0 40 FEAB Cc1cnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)s1 9377773 NBYJIOAYNFVBLZ-LBPRGKRZSA-N 369.443 2.382 0 40 FEAB CC(C)[C@H](C(=O)N[C@H](C)CCc1ccccc1)N1CCCS1(=O)=O 89775860 LGYWSJUJCPNERZ-NVXWUHKLSA-N 352.500 2.184 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCCc3nc(C)ncc32)c2c(C)nn(C)c2n1 71195908 ZQEHLTFEKFYYRW-INIZCTEOSA-N 350.426 2.491 0 40 FEAB Cc1cc(C)cc(OCC(=O)NCCn2cc(Br)cn2)c1 28246024 XPQULZSBGCZAMW-UHFFFAOYSA-N 352.232 2.458 0 40 FEAB O=S(=O)(N[C@H]1CCOc2ccccc21)c1ccccc1Cn1cncn1 95465337 YVFSXANOSZUXDD-INIZCTEOSA-N 370.434 2.129 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(Cn2ccnc2)c1 25172084 AJLNLIJOLDSMNY-UHFFFAOYSA-N 362.389 2.296 0 40 FEAB C[C@H](O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 68741163 BWFRAFYGIIICJZ-LURJTMIESA-N 351.268 2.383 0 40 FEAB O=C(C1CC1)N1C[C@H](c2nccs2)[C@@]2(CCN(CC3CCC3)C2=O)C1 306133209 MFFRKIGWHUZPIO-DNVCBOLYSA-N 359.495 2.498 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@H]12)C1CC(F)(F)C1 306141167 VMYDGVAXUBGULM-RRFJBIMHSA-N 356.438 2.356 0 40 FEAB O=C(O[C@@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3)CO[C@H]12)c1ccccc1 642033 FQTGYQKXWLOIEK-BRSBDYLESA-N 354.358 2.235 0 40 FEAB biogenic COC(=O)[C@@H](NC(=O)c1coc(C2CCOCC2)n1)c1cccs1 509919213 KPTXDWZMISIGBD-ZDUSSCGKSA-N 350.396 2.274 0 40 FEAB C[C@@H](CC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)S(=O)(=O)c1ccc(F)cc1 519583742 GIZZFOSANPNJFG-MAZHCROVSA-N 369.458 2.261 0 40 FEAB CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 216307919 WXWXDJDFRFGGER-UHFFFAOYSA-N 371.528 2.256 0 40 FEAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOCC 217421510 SFYYFNYZHDYNPI-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB COc1ccc([C@]2(Cc3ccc(Br)cc3)NC(N)=NC2=O)cc1 71974474 ISJJCLDEQLWPKJ-KRWDZBQOSA-N 374.238 2.340 0 40 FEAB CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1sccc1-n1cnnn1 58939108 YRKZMXFYUZSMHX-GFCCVEGCSA-N 365.459 2.212 0 40 FEAB CN(CC(=O)NCc1ccccn1)C(=O)c1ccc(Br)s1 48345740 UMYMXCXFURJLPN-UHFFFAOYSA-N 368.256 2.294 0 40 FEAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 225218524 FJCWORYMACDBFL-HZMBPMFUSA-N 360.863 2.028 0 40 FEAB C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccc(NC(N)=O)cc1 47270438 IHOMVSUCUCPZCV-NSHDSACASA-N 356.382 2.466 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCCN1CCOCC1 223169222 NYQSGGRTISJJTH-ROUUACIJSA-N 371.510 2.105 0 40 FEAB O=C(c1ccncc1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159674 PWWXJTKFOWOONG-HXUWFJFHSA-N 353.397 2.486 0 40 FEAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96240759 MBCLWEOQYZXNKR-KRWDZBQOSA-N 362.445 2.148 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1c1ncccn1 96051813 QVKDOMGHHXHDGY-OAHLLOKOSA-N 356.426 2.217 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C(=O)NC3CCCCC3)C2)C1 96226059 HFMGSQBWUDMYPJ-IBGZPJMESA-N 371.441 2.283 0 40 FEAB Cc1nc(CO[C@H]2CO[C@@]3(CCN(C(=O)N4CCCC4)C3)C2)cs1 96107792 KHUKJWUZNDIFNB-WBVHZDCISA-N 351.472 2.417 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)Cc1cccs1)C2 96227011 CNYWDBXIBQYUKZ-VQIMIIECSA-N 355.463 2.241 0 40 FEAB O=C(NC1CC1)N1CCC2(CC1)C(=O)N(c1ncccn1)c1ccccc12 96078923 NEIHWOPYQMVVBH-UHFFFAOYSA-N 363.421 2.361 0 40 FEAB Cc1ccc(OCC(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)cc1 248115356 ZZRPZZDNCFTEMS-KRWDZBQOSA-N 368.433 2.465 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4ccco4)nc3[C@H]2C)no1 247909534 KVUOWCBRSHIAJH-CYBMUJFWSA-N 355.398 2.279 0 40 FEAB CN(C)C(=O)c1cnn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 257300854 RVYCHBORRUSTGP-UHFFFAOYSA-N 364.453 2.206 0 40 FEAB Cc1cnc(-c2ccc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)s1 257214589 CMOMIWQUBFDJSA-AWEZNQCLSA-N 366.512 2.184 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1OC 257341606 ZLAVLDYWQMUOQP-APWZRJJASA-N 362.470 2.490 0 40 FEAB Cc1nn(C)c2n[nH]c(NC(=O)[C@@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)c12 585139758 YNZWENDESYGVAC-CZUORRHYSA-N 366.425 2.153 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)sc1C 271426962 NEOADAUQCZXWTK-UHFFFAOYSA-N 367.496 2.393 0 40 FEAB COc1cccc(C[C@H](NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C(=O)O)c1 630241905 CSBUZBZSSRUJKR-YDZRNGNQSA-N 351.402 2.393 0 40 FEAB Cc1nc(/C=C/C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cs1 585289887 MIPVHSRRKLRHGA-UCFODXPJSA-N 358.463 2.297 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCc1cccc(N2CCCCC2=O)c1 55669714 QBODHWCEFSPLGL-AWEZNQCLSA-N 366.483 2.031 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 100272218 OOFARBRHWMUVAB-DKKFBQAASA-N 354.450 2.290 0 40 FEAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 585264625 WACUHAHXBOBBKP-HNNXBMFYSA-N 351.468 2.464 0 40 FEAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 5238002 XWNBNHJVZOOLJP-ZETCQYMHSA-N 369.244 2.234 0 40 FEAB O=S1(=O)N[C@H](C2CCN(Cc3ccncc3)CC2)Nc2ccccc21 12089471 NTHSTSFFJYTQCN-GOSISDBHSA-N 358.467 2.024 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@H]2CC[C@@H]1C2 13320695 XULZDKXICHYGDJ-MVJTYMMSSA-N 360.429 2.217 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@H]2c1ccc(Cl)cc1 104138178 HOOFKUCFQZTARO-GDBMZVCRSA-N 373.844 2.302 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)s1 225503846 JDTDUEAJCKRNFX-ZDUSSCGKSA-N 361.471 2.300 0 40 FEAB Cn1cc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@H]3C2)c(C(F)F)n1 1888859238 CJRRMWSLOHEFLT-AOOOYVTPSA-N 353.398 2.023 0 40 FEAB O=S(=O)(NCCn1ccc(-c2cnccn2)n1)c1ccc(Cl)s1 238825150 DOMLYKJAGTXIMS-UHFFFAOYSA-N 369.859 2.034 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 238894272 QXDLLJODESVEGF-STQMWFEESA-N 352.847 2.488 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1 2711795 RWAFOPJEVUGHSV-UHFFFAOYSA-N 363.464 2.384 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)c3ccc(OC)cc3)n12 4250287 DJWUWEVRAMICIU-UHFFFAOYSA-N 358.423 2.354 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(F)c4)cnc32)cc1 10251444 PSGZKMGMKOFADP-UHFFFAOYSA-N 363.352 2.414 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17248294 RMAGYWZFEABDFI-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C(C)(C)C)C1 2055751277 DMCGNKSQCFEUEV-HXUWFJFHSA-N 361.486 2.268 0 40 FEAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745895 NGIBMLOIRPELNA-CYBMUJFWSA-N 372.425 2.239 0 40 FEAB CN(C1CCN(c2ncnc3sccc23)CC1)S(=O)(=O)C1CC1 2086889161 INNYJSQUMJMFJR-UHFFFAOYSA-N 352.485 2.084 0 40 FEAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1nc(-c2ccccn2)cs1 575618357 AUZSBPNWYMHERV-UHFFFAOYSA-N 353.407 2.278 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)CSc1ccc(F)cc1)C2 618257602 ZAXZNBGZEJKFFD-AWEZNQCLSA-N 360.458 2.448 0 40 FEAB CCCOc1ccccc1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10926618 CUOBBVCWEXIHIT-UHFFFAOYSA-N 369.377 2.023 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 2434546 PQCCAYLSFYKSIT-UHFFFAOYSA-N 353.426 2.239 0 40 FEAB Cc1nccc(CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1 69114750 VGOWUCJZMOQEKU-CYBMUJFWSA-N 361.396 2.389 0 40 FEAB O=C(Nc1ccncn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 75107979 WQNRCWNHQIIKKD-UHFFFAOYSA-N 360.439 2.294 0 40 FEAB CCN1C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C2CCC2)Oc2ccccc21 70019609 VGBOLMPHTSGKIB-ZBFHGGJFSA-N 359.470 2.037 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCCC1=CCCCC1 6563811 OJOUMTZTXDYLLB-INIZCTEOSA-N 352.475 2.477 0 40 FEAB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1 6579845 JPMZRHVYYSAAIK-IZZDOVSWSA-N 369.215 2.136 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6764368 MGMSYISBMQMPMW-AXVVYFOYSA-N 350.374 2.200 0 40 FEAB CCN(CC)CCCn1c(S)nnc1Cn1nnc(-c2ccccc2)n1 7263589 WEPSAQLZMZAUGR-UHFFFAOYSA-N 372.502 2.001 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 7954978 RLDUSQUVWAWLNA-UHFFFAOYSA-N 356.397 2.488 0 40 FEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2nccs2)C1=O 32666263 AYJYVMAXYDKZEF-KRWDZBQOSA-N 358.423 2.025 0 40 FEAB Cc1ccc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)[nH]c2c1 32818023 HDMIMSLAWFAHEC-INIZCTEOSA-N 355.438 2.187 0 40 FEAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(O)=NC1=O 59798283 RVUSHBANBDHJMU-WHOFXGATSA-N 362.382 2.126 0 40 FEAB CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1 21839200 VWBBDEUQAPYZGZ-UHFFFAOYSA-N 350.415 2.393 0 40 FEAB CN(Cc1ccncc1)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 104942374 RMBQWMCUUWQNBX-KRWDZBQOSA-N 357.433 2.271 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4cn(C)nc4C)CC3)CC2=O)n1 108527933 FFYBIUSDSSVQMF-UHFFFAOYSA-N 367.497 2.447 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cc1 10146549 DIHQHNLEKPYUAK-SFHVURJKSA-N 358.463 2.163 0 40 FEAB COCc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 48070402 FPOSGFGNQYLYHZ-UHFFFAOYSA-N 356.426 2.386 0 40 FEAB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1sccc1C(N)=O 10032649 RXGDLLHNWIRJQB-ZETCQYMHSA-N 354.334 2.309 0 40 FEAB Cc1ccc(C)c(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 58162563 PDGRBPJZRXFIMR-UHFFFAOYSA-N 357.439 2.295 0 40 FEAB COC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 10199743 PTNALAGCCRWCEV-UHFFFAOYSA-N 358.485 2.300 0 40 FEAB COCCn1c(SCC(=O)N[C@H](C)C(C)C)nc2ccccc2c1=O 3326058 OPNLXPHISJUOGO-CYBMUJFWSA-N 363.483 2.296 0 40 FEAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc[n+]([O-])cc1 3319171 UPXIDYUAQPFGEH-UHFFFAOYSA-N 367.327 2.428 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 306129483 IEPGWEUZFZNNOL-HNNXBMFYSA-N 351.410 2.184 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1 28084139 GLJDFLVGFUMGGB-CJNGLKHVSA-N 366.462 2.215 0 40 FEAB Cc1cccn2cc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)nc12 10864418 YFMBTXKDDOLLAN-HXUWFJFHSA-N 362.389 2.373 0 40 FEAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCCSc2ccccc2)c1 12758298 DHPDEEOSDSZGHY-UHFFFAOYSA-N 368.455 2.256 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1cc(C)on1 12924354 VQNMFMDGSWUSRM-LLVKDONJSA-N 356.425 2.357 0 40 FEAB C[C@@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)c1ccc(Cl)cc1 12996711 PIHCEEQXODQDOV-SECBINFHSA-N 364.810 2.431 0 40 FEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3600386 FZMPKQLFQRMMBJ-QGZVFWFLSA-N 361.785 2.016 0 40 FEAB COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1cccs1 13000541 YJJADLRAQHJQLB-LBPRGKRZSA-N 366.464 2.350 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 4288886 AXPKQHVDUASZHA-QRWLVFNGSA-N 357.454 2.188 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ncccn3n2)cc1 8980856 QGVRDTZANOAMMT-UHFFFAOYSA-N 357.395 2.032 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(O)c1 7101405 STZSMIVOXJIGOM-UHFFFAOYSA-N 358.369 2.037 0 40 FEAB C[C@H]1Cc2cc(C(=O)Nc3cccc(CO)c3)ccc2N1S(C)(=O)=O 8032074 ZFPQTXOPJFURRE-LBPRGKRZSA-N 360.435 2.142 0 40 FEAB COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2cnccn2)CC3)c1 23505802 PITJIGFVWJDANQ-UHFFFAOYSA-N 363.421 2.393 0 40 FEAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)NC(=O)NC2CC2)cc1 9368090 SEDNTMWJBWSIJX-LLVKDONJSA-N 359.455 2.353 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)c1C 9313522 AKAZJLYXYVFZQC-UHFFFAOYSA-N 369.377 2.091 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2ccc(F)cc21 72401930 VETQIRIWHMSFRJ-UHFFFAOYSA-N 364.380 2.376 0 40 FEAB NC(=O)NCc1ccc(C(=O)NCCc2nc3c(s2)CCCC3)cc1 84403095 WJYMIQMBANSVMB-UHFFFAOYSA-N 358.467 2.163 0 40 FEAB O=C1CCSc2ccc(C(=O)N3CCCC[C@H]3C3OCCO3)cc2N1 95393788 NTVAOEXCDVZYTE-AWEZNQCLSA-N 362.451 2.489 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 9919233 SBRSKIKVTRQQDB-CYBMUJFWSA-N 370.405 2.340 0 40 FEAB CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(Cl)c2N)c1 9909133 NLYJBULXNBKEFK-UHFFFAOYSA-N 361.785 2.077 0 40 FEAB CCCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22230149 ZFAPGZWXQVONMK-MRXNPFEDSA-N 368.499 2.463 0 40 FEAB COCCN1CCC[C@]2(CN(C(=O)c3cccs3)CC(F)(F)C2)C1=O 306130355 JDKBHHREEBXTIL-INIZCTEOSA-N 372.437 2.485 0 40 FEAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 30882728 GZWYMNZDRJCGRY-FHWLQOOXSA-N 372.513 2.362 0 40 FEAB biogenic,in-vitro Cc1noc(C2CCN(c3nc(NCCO)c4ccccc4n3)CC2)n1 524274242 WVJSAPCFUGEDTJ-UHFFFAOYSA-N 354.414 2.109 0 40 FEAB CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)cc1 38492468 DYUXGELXFAKZOE-UHFFFAOYSA-N 369.421 2.272 0 40 FEAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)O 409084498 VLJRZEKJZZYXBK-ZROIWOOFSA-N 374.393 2.384 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 36741225 QNWDMYKWYOYKFW-KHYOSLBOSA-N 366.527 2.410 0 40 FEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H](C1CC1)N1CCCC1 123189961 HBBCGWKTOGYSAY-KSSFIOAISA-N 364.511 2.484 0 40 FEAB O=C(CN1C(=O)N2CCCN=C2c2ccccc21)NCc1cccs1 72335724 IDPDHPVPKGSVFL-UHFFFAOYSA-N 354.435 2.457 0 40 FEAB CSc1nc(OC[C@@H]2CCCCN2)cc(OC[C@H]2CCCCN2)n1 72203282 JZOZFXCIMFTPFG-OKILXGFUSA-N 352.504 2.240 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 45865994 BYWILMDMZBKRCM-UHFFFAOYSA-N 351.449 2.380 0 40 FEAB CC1CCN(c2ccc(=O)n(CC(=O)N3CCc4ccccc4C3)n2)CC1 49547326 ITSPHYPBDOTFLH-UHFFFAOYSA-N 366.465 2.065 0 40 FEAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)c[nH]c12 44599020 BUMOXNPZAXIFPZ-ZSOIEALJSA-N 357.435 2.303 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2c(c1)OCCO2 225834668 ZYOJLSVXGNJVCE-UHFFFAOYSA-N 352.350 2.474 0 40 FEAB Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 332717105 IJUKKFWXLNNARY-DWQUBVKVSA-N 350.459 2.469 0 40 FEAB CC(C)(C)CC(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225346 KBRASZKBFSETBA-FQEVSTJZSA-N 372.469 2.272 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 96048390 CQTTWRJIQFGBQA-BEFAXECRSA-N 353.426 2.056 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccccc1)C2 96237895 DZWSOHWWBVBJNF-OAQYLSRUSA-N 367.424 2.389 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cc1 96158660 VTTIVZPBSWBRBS-GOSISDBHSA-N 358.482 2.484 0 40 FEAB Cc1cc(CN2CC3(CC[C@H](CN(C)Cc4ccco4)CO3)C2)n(C)n1 247932934 RIYMFQTWLDJAPL-QGZVFWFLSA-N 358.486 2.435 0 40 FEAB COc1cccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c1 242892551 GMWPBYFFYJQDOZ-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CO)C(=O)O)cc1 242464005 DSHNHVNKAHUZPF-ZIFCJYIRSA-N 360.431 2.306 0 40 FEAB COc1ccc(Cl)c(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)c1 248107659 JADKBEKRWFYJNC-ZDUSSCGKSA-N 362.861 2.379 0 40 FEAB Cc1ocnc1C(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257250729 JNUURWBDVCXQIX-SIXWZSSISA-N 357.410 2.467 0 40 FEAB O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc2cnccc2s1 614712092 UHLBQZNZLFAUHO-GFCCVEGCSA-N 359.455 2.101 0 40 FEAB Cc1cc(S(=O)(=O)NCc2cnc(C3CC3)o2)cc(C(=O)O)c1C 666264937 UIHOUCTYLQJEME-UHFFFAOYSA-N 350.396 2.346 0 40 FEAB CCSc1ccccc1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831446 RWJZIZLGZMCOFR-ZDUSSCGKSA-N 368.466 2.245 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CCCC[C@H]3c3ccnn3C)[nH]2)CC1 685941377 AYXVTFFAHFQIQR-KRWDZBQOSA-N 356.474 2.320 0 40 FEAB O=C(c1cocn1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615160355 ZOBLSDCWHFVYJH-IBGZPJMESA-N 373.384 2.242 0 40 FEAB O=C(NC1CCOCC1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595925 STZWKBAXSAZLCG-HBFSDRIKSA-N 356.466 2.373 0 40 FEAB C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 5369570 ZORQMBLUMWNJEQ-NXBFSHDWSA-N 368.451 2.056 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CO)cc2)cc1 5516259 ZNOPDJOBNNIHDB-UHFFFAOYSA-N 362.451 2.297 0 40 FEAB Cn1cc(NC(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)cn1 12086820 UZRAZTSFODDOSX-UHFFFAOYSA-N 354.410 2.110 0 40 FEAB CCOc1cccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146613 IDJIUYQDNJIZMS-UHFFFAOYSA-N 354.366 2.123 0 40 FEAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccc2c(c1)OCO2 12336869 GSPZMMKGIXQKHQ-DBIVSCPCSA-N 370.405 2.461 0 40 FEAB CN1CCN(c2ccccc2NC(=O)c2ccc(-n3cncn3)cc2)CC1 12551167 RJWFZAXVLJIKMQ-UHFFFAOYSA-N 362.437 2.271 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15272713 FCJBIWHCGDHWFA-UHFFFAOYSA-N 352.387 2.003 0 40 FEAB CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19085834 XGKQIGOWEWLDTD-NRFANRHFSA-N 367.449 2.030 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4)CC3)n2CC1 19708957 YEQBYPNRPQERGM-UHFFFAOYSA-N 353.470 2.062 0 40 FEAB CC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 734557 IMSQHIVUNPJLTJ-UHFFFAOYSA-N 364.405 2.437 0 40 FEAB O=C(NCC1(OCCO)CCSCC1)c1ccc(Br)o1 828765392 MFINTECWOZCFRO-UHFFFAOYSA-N 364.261 2.047 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(Cc5nc(C(C)C)no5)C[C@@H]4C3)n1)CCC2 1888869884 UUXGONXAHRXMCI-GASCZTMLSA-N 368.485 2.348 0 40 FEAB Cc1cc(N2CCN(Cc3c(C)noc3C)CC2)nc(N2CCCC2)n1 1889091566 GVWCJGRLCABEKJ-UHFFFAOYSA-N 356.474 2.312 0 40 FEAB COc1cccc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)n1 2056223578 UESCUPJJVFARIG-FQEVSTJZSA-N 367.453 2.403 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(c3ccc(N(C)C)cc3)=NC2=N1 4189659 FKYKQHCJJBPVBM-GOSISDBHSA-N 374.448 2.190 0 40 FEAB COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940668 KSEHUJKSFDDGSC-UHFFFAOYSA-N 374.418 2.177 0 40 FEAB CCOc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1 8849490 STGMMGZUOKJPCA-UHFFFAOYSA-N 364.405 2.004 0 40 FEAB CCOc1c(CC)cnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 9571780 AGITYHUYYLWDAT-UHFFFAOYSA-N 357.385 2.244 0 40 FEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1COc2ccccc2O1 9701554 RZORPYXSSSQDMO-OAHLLOKOSA-N 367.317 2.244 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccccn2)CC1 2055730157 GLNIVNZSNVHGJF-UHFFFAOYSA-N 370.428 2.396 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)[C@H](C)Oc4ccccc4F)C[C@H]3C2)ncn1 1889362911 KYOUNFSCYXHKCQ-ARFHVFGLSA-N 370.428 2.286 0 40 FEAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)Nc2cccnc2)o1 35597491 HJZZACYYIRMRSF-UHFFFAOYSA-N 350.381 2.184 0 40 FEAB Cc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(N2CCCC2)n1 49411008 IGUQECKVXXXDRJ-UHFFFAOYSA-N 360.845 2.122 0 40 FEAB S=C(NCc1ccc2c(c1)OCO2)N1CCN(Cc2ccncc2)CC1 20623015 YQOMOHLDQLGXRM-UHFFFAOYSA-N 370.478 2.003 0 40 FEAB CC(C)OCCCNC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc21 40127568 WAGAHMTURARKPH-QGZVFWFLSA-N 353.484 2.410 0 40 FEAB C[C@H](NC(=O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 10967959 BQEXODPQEBJEMU-LBPRGKRZSA-N 351.399 2.485 0 40 FEAB O=C(CNC1CCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902136 UYRMDZIWOOVYHP-UHFFFAOYSA-N 365.499 2.332 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100573444 UDMZIZQOKPBLNY-ZACQAIPSSA-N 356.422 2.275 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)NCCN1CCc2ccccc2C1 31338698 XVZVTIDFBJLTNZ-UHFFFAOYSA-N 371.868 2.244 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(C)s2)c1 31646213 DZCPIVKFOXUDIF-UHFFFAOYSA-N 368.480 2.132 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2)cc1Cl 2809658 JGRCKUHDLGBJIH-NMWPEEMBSA-N 357.797 2.252 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ncccn2)C1 32461840 ZINKSMZDRHDGDD-OAHLLOKOSA-N 364.453 2.318 0 40 FEAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 8053712 CWETYGZPCBIHDU-UHFFFAOYSA-N 362.802 2.250 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCSc1n[nH]c(=O)n1C1CC1 32745273 VGSUZQTZORBPLV-UHFFFAOYSA-N 358.423 2.075 0 40 FEAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC)cc2)N(C)C)cc1 10506536 AMJQXFSNPHXHBA-GOSISDBHSA-N 364.467 2.285 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)cc1C 8191962 OXGASPXFNBOBPO-UHFFFAOYSA-N 362.451 2.352 0 40 FEAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1cccc2c1OCO2 81667006 WXFYNVGFTHWJGU-UHFFFAOYSA-N 360.454 2.428 0 40 FEAB COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1 806228 CMJLQEPAHWZPPM-UHFFFAOYSA-N 360.347 2.471 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)ccc21 23236334 VLIXVWMSDUKNRI-KRWDZBQOSA-N 368.437 2.351 0 40 FEAB COC(=O)N1[C@]23CCC[C@@]12[C@@H]1C=C[C@@H]3[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100969066 QGYAHABCWKICOX-SLSXCVKXSA-N 364.401 2.352 0 40 FEAB CCOC(=O)C1=C(CN(C)[C@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@H]1C 104884643 UROXXZZWNLGITJ-WDEREUQCSA-N 367.396 2.476 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CN2CCC(C(=O)Nc3ccccc3)CC2)C1=O 23641254 BAXRVELGYWJYLO-FQEVSTJZSA-N 370.453 2.015 0 40 FEAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1F 24178418 VMWSLDCILHUWNZ-KRWDZBQOSA-N 364.442 2.178 0 40 FEAB CCOC(=O)N1CCN(CC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 34889414 BAFHVNYUYSHAMI-UHFFFAOYSA-N 363.502 2.093 0 40 FEAB Cc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c(C)c1 22273113 ZFGLHRAOZCXUAT-UHFFFAOYSA-N 360.479 2.428 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)cc1 57392255 JRMGVNSUQXGQOD-HNNXBMFYSA-N 355.442 2.025 0 40 FEAB O=C(Nc1cccnc1N1CCCC1)C1CCN(c2ncccn2)CC1 44542431 JJTHQOMZVHFPBU-UHFFFAOYSA-N 352.442 2.327 0 40 FEAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 35709103 DTUFWAHTLFFUCO-HXUWFJFHSA-N 365.477 2.192 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccccc2)c1 3345550 MBHODGIIZLMLTQ-HNNXBMFYSA-N 355.438 2.443 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cc1 58191531 NJQPGGYMUFJMPG-KRWDZBQOSA-N 359.407 2.162 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 58193991 PIHBBNBMRZYOPV-UHFFFAOYSA-N 369.918 2.103 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 58208760 STVZYLYZAPZPKJ-CYBMUJFWSA-N 369.462 2.036 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)c2ccc3c(c2)NC(=O)CO3)o1 58266336 GONNCTUFOPWPLO-UHFFFAOYSA-N 357.410 2.123 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 3460261 QYKVBQRNNBAMEF-GOSISDBHSA-N 359.332 2.371 0 40 FEAB CNC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927326 VZMFRAWSVASEFJ-SNVBAGLBSA-N 353.879 2.381 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 12918074 QXLNZTVTPUVSED-FQEVSTJZSA-N 367.493 2.404 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 408549418 SMMSCJAUVVLYEE-NTEUORMPSA-N 359.769 2.196 0 40 FEAB COC(=O)CCc1csc(NC(=O)CSc2nnc(C)s2)n1 13945728 ZRKIEPDBUAYTBX-UHFFFAOYSA-N 358.470 2.139 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1 5387866 XIVBTGYIZMWCAU-UHFFFAOYSA-N 352.350 2.100 0 40 FEAB CSc1nnc(SCC(=O)N(CCC(N)=O)c2ccccc2)s1 14162307 HJSZNSVMBGAVFD-UHFFFAOYSA-N 368.509 2.261 0 40 FEAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 4548050 QHOFMKZIMOUQBZ-ZDUSSCGKSA-N 361.442 2.360 0 40 FEAB CC(C)CCNC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14751598 VRIZWBVRXJITCP-CQSZACIVSA-N 363.483 2.010 0 40 FEAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc1 4852663 PQHZLOQCSONBCW-UHFFFAOYSA-N 365.393 2.256 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 9479811 RLDCGIRFVPIOBC-INIZCTEOSA-N 367.405 2.415 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)C[C@@](C)(c3ccsc3)C2=O)cc1 89917852 JPSURYTZNUSMJW-IBGZPJMESA-N 372.446 2.090 0 40 FEAB Cc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1C(=O)NC(C)C 97001677 OYERENCZPYUGLY-UHFFFAOYSA-N 351.403 2.468 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[C@H](C)[S@@](C)=O 84622384 ZUKLZDOVZFGRCN-LESHARBVSA-N 368.499 2.211 0 40 FEAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CC(=O)N(C2CC2)C1 78301183 NZTVRSLBEWQUMT-AWEZNQCLSA-N 370.449 2.354 0 40 FEAB CCN(CC(=O)O)C(=O)c1csc(-c2cccc(OC)c2OC)n1 95424626 YYZXXNJPZYWOJI-UHFFFAOYSA-N 350.396 2.374 0 40 FEAB COC(=O)N[C@H](C(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1)C(C)C 95458886 RQAWBQJEAVDUAQ-KCXAZCMYSA-N 352.431 2.268 0 40 FEAB CN(C)[C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 89313993 XOSMGDBXDMIMDM-HOTGVXAUSA-N 359.470 2.181 0 40 FEAB O=C1CC[C@H](COC(=O)c2cc(Br)ccc2OC(F)F)N1 1518133570 AJKHQERVOBHTEK-MRVPVSSYSA-N 364.142 2.486 0 40 FEAB CC(=O)OC[C@@H](OC(C)=O)c1cccc([C@@H](COC(C)=O)OC(C)=O)c1 3845179 KITPMZGMNVDEMM-QZTJIDSGSA-N 366.366 2.021 0 40 FEAB biogenic Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)c1 306128537 HDBBZHAFYIAGAP-SJORKVTESA-N 365.481 2.173 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CC3)CC1)O2 72328061 GWQFLNDFURPMCY-SPLOXXLWSA-N 370.449 2.379 0 40 FEAB COC(=O)CCCNC(=O)c1cc(Br)c(Br)[nH]1 217654998 DHYDCFWYZPUPCK-UHFFFAOYSA-N 368.025 2.223 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2c(F)cccc2F)Oc2ccccc21 44840498 NLTNGNMAFVPWGZ-CQSZACIVSA-N 368.361 2.131 0 40 FEAB O=C(c1cocn1)N1CCC2(CC1)CO[C@@H](COCc1ccncc1)C2 96106169 BNRIQRRRFLCBFA-MRXNPFEDSA-N 357.410 2.298 0 40 FEAB Cc1cccc(CO[C@@H]2CN(C(=O)c3ccnn3C)Cc3cccn3C2)n1 248050519 QXYOMRBFQDTCNL-SFHVURJKSA-N 365.437 2.166 0 40 FEAB COc1ccc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CCO3)C2)cc1 247917527 NFASBWOVIKAUHR-MRXNPFEDSA-N 367.467 2.044 0 40 FEAB COc1ccccc1CN1CC2(CC[C@@H](CNC(=O)c3ccno3)CO2)C1 248154576 YDNARWNTKAQXIX-HNNXBMFYSA-N 371.437 2.094 0 40 FEAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccccc2C)C1 257257045 KNWJRVWXRLYNPA-OAQYLSRUSA-N 353.466 2.489 0 40 FEAB Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C 616190745 IPIUOHLUIGTWFY-HCXYKTFWSA-N 358.482 2.018 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCCc2cccc(CN)c21 624389684 HUWYDNIZXQMPLC-UHFFFAOYSA-N 350.415 2.435 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3ncccc3C(F)(F)F)C[C@@H](C)O2)n1 628858388 UIUZDKZZJQACBW-LDYMZIIASA-N 356.304 2.394 0 40 FEAB O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@](O)(COc2ccccc2)C1 585275477 FEYFHTUVZSXBQQ-HNNXBMFYSA-N 355.316 2.085 0 40 FEAB COc1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1OC 52932130 RNCKMALKAUNENA-UHFFFAOYSA-N 353.378 2.443 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N(C)CCOc3ccccc3)N2C=C1 12290369 BSIACVVIECNPRX-HXUWFJFHSA-N 353.422 2.387 0 40 FEAB COc1cccc(CC(=O)N2CC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)c1 13225666 MPJZPSPTFUGAGZ-OAHLLOKOSA-N 366.421 2.311 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 17073558 AYLPBBDZPMOJQB-VIFPVBQESA-N 356.300 2.227 0 40 FEAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 17851285 ASOXRKCYXYKCPU-LLVKDONJSA-N 352.843 2.407 0 40 FEAB COCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127770 LDPWMOFKYIAWRW-MELADBBJSA-N 356.417 2.457 0 40 FEAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H]4CCCO4)nn3cn2)cc1 19575515 SZNMEMISJLVCLU-MLGOLLRUSA-N 367.409 2.156 0 40 FEAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)ncn2C1CC1)N1CCOCC1 19714281 VNLNKBIGJLMQDI-IBGZPJMESA-N 356.470 2.458 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1 19880194 POXOKTBHWDKHAX-UHFFFAOYSA-N 360.479 2.380 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)c2ccccc2C1=O 8980372 AHKABLGHVMPNFJ-UHFFFAOYSA-N 352.346 2.016 0 40 FEAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)CCc1ccccc1F 1565553712 IMVHTLLGQNHZPI-AWEZNQCLSA-N 368.416 2.198 0 40 FEAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCOCC)ccc2c1=O 3906564 FCJCAWKQNUTLNF-UHFFFAOYSA-N 361.442 2.036 0 40 FEAB COc1ccc(CCNC2=CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4625268 FRTHBNWTRPPUMM-UHFFFAOYSA-N 352.390 2.293 0 40 FEAB CC[C@H](C)NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 6732967 PTQQJMLUFTUIIG-AWEZNQCLSA-N 365.433 2.461 0 40 FEAB COc1ccc(N2C[C@@H](CNC(=O)c3ccccc3OC)CC2=O)cc1 8925246 CITJYVZMJKIAEA-CQSZACIVSA-N 354.406 2.487 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 9570592 LKVYTMBTLHHQFT-UITAMQMPSA-N 363.377 2.029 0 40 FEAB CNC(=O)Cn1c(CO)cnc1SCc1cccc(C(F)(F)F)c1 9827371 DTPZNQSNMBFKLC-UHFFFAOYSA-N 359.373 2.433 0 40 FEAB COc1cccc(CN2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)c1 2055714715 MTIQXVNZXKDTQF-NSISKUIASA-N 367.449 2.423 0 40 FEAB CCN1CCN(C(=O)N[C@@H](C)Cc2csc3ccccc23)C(=O)C1=O 585150723 HBJWCBZUVWEOON-LBPRGKRZSA-N 359.451 2.233 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(Br)o2)C1 225807490 ZMGVVIJDUAEMCO-SECBINFHSA-N 368.187 2.134 0 40 FEAB O=C(C1CCN(c2cc(=O)n3ccccc3n2)CC1)N1CCCCCC1 10996228 ARAKPYRGAGRPIB-UHFFFAOYSA-N 354.454 2.314 0 40 FEAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1 10960462 ZRRLSLRMFYIRMK-UHFFFAOYSA-N 374.462 2.150 0 40 FEAB CC(C)Oc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 45541811 HMVKKBGWVJQKRF-UHFFFAOYSA-N 355.442 2.296 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 2809664 RCWKFRDWFNFKGV-WNKDZCFJSA-N 369.396 2.354 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6325776 CEXKWHZLDPXJAP-UHFFFAOYSA-N 356.488 2.162 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 6589867 JDUORSAEOVRQIR-SNVBAGLBSA-N 354.815 2.442 0 40 FEAB O=C1OCCN1CCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 58839276 OYIWEWVKSOEZPO-HNNXBMFYSA-N 360.410 2.354 0 40 FEAB Cc1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)c(=O)n2C 6916758 KHJTXZPZSVUMGT-UHFFFAOYSA-N 357.797 2.451 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)c2ccco2)c1 7985335 VXJSNZTXJMHIRE-UHFFFAOYSA-N 370.814 2.095 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(O)c1 29654133 IYALWBRYLYCQIA-UHFFFAOYSA-N 368.389 2.028 0 40 FEAB CN1CCN(c2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 32675959 VEFMMHJSQFVINO-UHFFFAOYSA-N 373.478 2.094 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 9329271 GBIJOWBKNCTYBN-SJLPKXTDSA-N 373.497 2.427 0 40 FEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 46429666 MQPDEWNIXNOUDT-GOSISDBHSA-N 372.465 2.259 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cc[nH]n2)c2ccccn2)CC1 100750328 HNQYKAKMJGOINT-RVKKMQEKSA-N 355.442 2.218 0 40 FEAB C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 32926432 DQRIERIWHDKMFK-OAHLLOKOSA-N 374.485 2.304 0 40 FEAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCCCC1)S(C)(=O)=O 22252125 GQMQAOMMIKGSOB-UHFFFAOYSA-N 370.471 2.116 0 40 FEAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 41616241 YRRYZZFVWCRMFV-UHFFFAOYSA-N 351.338 2.050 0 40 FEAB Cc1c(Cl)cccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 12373975 TUNFOTLXBAORJF-UHFFFAOYSA-N 371.828 2.254 0 40 FEAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nnc2ccccn12 22422284 NVZYMAZPPRIACC-MFKMUULPSA-N 353.357 2.172 0 40 FEAB CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)nn(C)c2C)CC1=O 22837914 WAKFDSCOXVXTER-CQSZACIVSA-N 356.426 2.427 0 40 FEAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1 23074735 FMPYPURQCFFOEW-LLVKDONJSA-N 371.784 2.500 0 40 FEAB Nc1ncccc1C(=O)OCC(=O)Nc1ccc(Br)cc1F 24601683 HKLLPTGFNKRCQB-UHFFFAOYSA-N 368.162 2.361 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1cccc(OCc2ccc(F)cc2)c1 25077864 KQTLMYWKFYSHDC-UHFFFAOYSA-N 372.352 2.113 0 40 FEAB C[C@H](C(=O)Nc1ccc(NC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 56343452 ALPWTQPGTCUSGM-SNVBAGLBSA-N 365.386 2.117 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)N2CCCc3ccccc32)Oc2ccccc21 20040935 CMCGMUGTTUBMCC-GOSISDBHSA-N 372.446 2.193 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)c1 3359718 GCCSSYSPUDYZFP-UHFFFAOYSA-N 354.406 2.239 0 40 FEAB Cc1c(C(=O)N[C@H](C)c2ccco2)nnn1-c1ccc2c(c1)OCCO2 109080739 DMZLIICSNVBWQN-LLVKDONJSA-N 354.366 2.431 0 40 FEAB COC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 10032092 YUEUCPPPZZPDLM-VIFPVBQESA-N 367.496 2.107 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1 58245174 HBFDUHCPKPCGFY-HOTGVXAUSA-N 358.486 2.310 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(F)cc3)C2=O)o1 58223793 OJSMCJHALNPTTF-HXPMCKFVSA-N 373.384 2.372 0 40 FEAB O=C(c1cnccn1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48333919 UIUMAIMDTPZJTO-UHFFFAOYSA-N 365.220 2.382 0 40 FEAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12819689 DPAZRSVWDPATOH-XOBRGWDASA-N 360.454 2.444 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCN1C(=O)CCC1=O 12959208 BYRTUNZSZXAKQS-LLVKDONJSA-N 366.801 2.058 0 40 FEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)n1cccn1 12924897 RTJRRCDUNUXAQC-AWEZNQCLSA-N 362.455 2.257 0 40 FEAB Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1 3506142 FZNXJCHPWNIILI-UHFFFAOYSA-N 371.422 2.193 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 8447481 PANFCHIVJWVYLZ-UHFFFAOYSA-N 365.282 2.463 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 13260609 IRGCACYPPCTUQZ-VXGBXAGGSA-N 350.802 2.016 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 7888818 FLVKWEDXRGNSAG-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(I)c1 49452294 LBYFPNSATGJQLQ-NXEZZACHSA-N 374.222 2.324 0 40 FEAB C[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC(N)=O 13637480 PQUHWASYZAETLQ-QMMMGPOBSA-N 374.447 2.327 0 40 FEAB C[C@H](Sc1nnc(C(F)(F)F)n1N)c1nc2ccccc2c(=O)[nH]1 8011505 IEUHWSRXCHNLBR-LURJTMIESA-N 356.333 2.101 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306128810 HLBFWRIASAYZDC-AWEZNQCLSA-N 358.369 2.236 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 16699406 DCPGJAMHSCPTMX-FQEVSTJZSA-N 351.406 2.160 0 40 FEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 8181168 QWMKWRSSWQETRA-UHFFFAOYSA-N 365.382 2.035 0 40 FEAB COc1ccc(CCOC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 6369076 HEQWFMZDHFSEFX-XOBRGWDASA-N 374.437 2.282 0 40 FEAB CCS(=O)(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC 4411749 PHKJHQXZCCKEJA-UHFFFAOYSA-N 372.468 2.112 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c[nH]nc1-c1ccc(OC)cc1 4741720 XQJDUOLYXZPXCH-MRXNPFEDSA-N 356.382 2.276 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 306142110 WPTPLYHQMNHJMP-IEBWSBKVSA-N 369.446 2.435 0 40 FEAB C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1sccc1C(N)=O 8778439 QZRXKOHQVISUMY-SNVBAGLBSA-N 361.423 2.097 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 71329020 BTVHEFNCACUJNV-UTKZUKDTSA-N 367.449 2.064 0 40 FEAB Cc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)n[nH]1 9334834 YGHGTPLCMUISES-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)s1 9482693 JLDUVXJBJLDHMC-CYBMUJFWSA-N 369.450 2.244 0 40 FEAB O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(Cc1ccco1)CN2 20572990 INJPMCRTGAAVLI-UHFFFAOYSA-N 372.812 2.217 0 40 FEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 89448862 WPLWMXVVMMJOJE-IGNZVWTISA-N 368.424 2.226 0 40 FEAB Cc1ccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219016749 KTCRPOHGCZJXDU-HDICACEKSA-N 354.450 2.385 0 40 FEAB CN1C(=O)C[C@H](C(=O)N[C@H]2CCCc3c2cnn3C)[C@H]1c1cccs1 71195880 OHDSCTPUHQZEOS-BNLOLNQZSA-N 358.467 2.195 0 40 FEAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 223043018 KPFCQGSCUNAJQL-ZDUSSCGKSA-N 362.451 2.153 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(c4ncccn4)CC[C@H]3C2=O)c1 96107152 KVRNCMCVHPXAKR-MSOLQXFVSA-N 352.438 2.039 0 40 FEAB COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)CN(C)C)c1 96264517 UMVPBKZLXXRHPV-UHFFFAOYSA-N 373.478 2.137 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccc(F)c1)C2 96237749 CKVLZKYTGJCHPH-OAQYLSRUSA-N 367.424 2.389 0 40 FEAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248147562 SDYGNTOHQFXOCM-INIZCTEOSA-N 370.453 2.214 0 40 FEAB O=C(CCc1ccccc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257226364 FKIVBIFWYXSEFG-GOSISDBHSA-N 352.425 2.314 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 252516010 PGDFWAUAFWHIDW-ZHALLVOQSA-N 360.431 2.252 0 40 FEAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253600957 FEDJAGCXUGAFNR-CQSZACIVSA-N 361.471 2.399 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)nc(C)n1 257270423 MUDYGWDFXSBJAI-GOSISDBHSA-N 351.410 2.492 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N1CCc2nnc(N3CCCC3)cc2C1 621236761 OAAJTHZYCJRZSU-UHFFFAOYSA-N 364.449 2.139 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C(F)(F)F)nc1 623000333 FEHSCFWPTXIOLX-ZDUSSCGKSA-N 370.352 2.500 0 40 FEAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@H]([C@H]2CCCCO2)C1 660971088 JKLMKAMCOAUAOF-DLBZAZTESA-N 372.531 2.192 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CC2(n3cccc3)CCOCC2)CC1 604419189 FOVMVZYINVMWJH-UHFFFAOYSA-N 363.458 2.121 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)s1 96098134 AYXPIBPINODURN-AWEZNQCLSA-N 371.505 2.293 0 40 FEAB CNc1ncccc1C(=O)N1CCC[C@@](O)(COc2cccc(F)c2)C1 585277957 YGZJDIJTNWSLQY-IBGZPJMESA-N 359.401 2.309 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)ccn1 585272343 NIHRXSVYMHFYNQ-MSOLQXFVSA-N 353.422 2.106 0 40 FEAB CCC(CC)NC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585284341 KABJNPDVLSAJIF-WMZOPIPTSA-N 354.878 2.056 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3C)c2C)no1 46178376 AGVQJYAIVZKCOY-UHFFFAOYSA-N 367.409 2.496 0 40 FEAB O=C(NCCc1c(F)cccc1F)[C@@H]1CC(=O)N(Cc2ccccn2)C1 55446364 PNZBXHKXWQCUHN-CYBMUJFWSA-N 359.376 2.067 0 40 FEAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1 53947056 JUGGUNVHOMNESQ-HNNXBMFYSA-N 372.425 2.382 0 40 FEAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)[C@@H]4CCOC4)CC3)n2n1 585581410 YUAQTTKYVHUIQZ-CQSZACIVSA-N 357.458 2.164 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cs1 585610895 FVNQZMJOMVEXRH-OKILXGFUSA-N 355.467 2.327 0 40 FEAB O=C(N[C@H](C(=O)O)C1CCOCC1)c1cccc(OCc2cccnc2)c1 668307460 GFZXJXZEAYPJGM-SFHVURJKSA-N 370.405 2.270 0 40 FEAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NC3CCCC3)c(=O)n12 12181937 KRCMTWHLJZVIOU-UHFFFAOYSA-N 354.410 2.025 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 14396385 VMQTXCGKPFQPTL-AWEZNQCLSA-N 372.421 2.477 0 40 FEAB Cc1cccc2c(C[C@H](C)NC(=O)C[C@@H]3C(=O)NCCN3C(C)C)c[nH]c12 19236601 LXIAALIOWPPTQQ-MAUKXSAKSA-N 370.497 2.122 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccnc2ncnn12 19368153 ZORYVOGXTMTUSN-LBPRGKRZSA-N 363.830 2.304 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19554179 QFNDMHSAFGSDIA-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB Cc1nc(-c2cncnc2[C@@H]2CN(Cc3cnc(C)s3)CCO2)no1 19693762 OIBWSVARBYWNRM-AWEZNQCLSA-N 358.427 2.173 0 40 FEAB Cc1cnc2c(C(=O)N3CCC[C@@]3(C)C(=O)NC3CCCC3)cnn2c1 19746544 JRTJQIPGRIXGJT-IBGZPJMESA-N 355.442 2.091 0 40 FEAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1ccc3c(c1)OCO3)C2=O 22560344 BRXJADANHNQVCH-LBPRGKRZSA-N 366.373 2.025 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 5452821 OONJABNECPKKRY-MRXNPFEDSA-N 353.440 2.386 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 5474593 PCZFAGBRIAAWBD-UHFFFAOYSA-N 371.345 2.306 0 40 FEAB Clc1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1 1888843409 YQNKCQOWNJECHM-UHFFFAOYSA-N 360.849 2.141 0 40 FEAB Cc1cc(C)nc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)n1 1888869582 DSSAIFMTKSXDCJ-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB CN(CCOc1ccc(C[C@@H]2SC(N)=NC2=O)cc1)c1ccccn1 38339132 VQDBYZBZMGVIOT-HNNXBMFYSA-N 356.451 2.096 0 40 FEAB CC(C)N1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2OCC1=O 2037985730 UIKAHOUGWTWSAM-ZBFHGGJFSA-N 350.846 2.438 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CN(c3ncnc4[nH]cnc34)CC[C@@H]21 2037843809 KBBRVNNGSCQLSR-IKGGRYGDSA-N 362.437 2.194 0 40 FEAB O=C(CN1CCCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037908889 DQOCXRIRRJVAEG-IBGZPJMESA-N 350.434 2.044 0 40 FEAB Cc1nnc2sc(SCC(=O)Nc3cccc(Cl)c3)nn2c1=O 4338836 YZIHDPHEBUHNNO-UHFFFAOYSA-N 367.843 2.239 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 10220954 FKZMERDJUDDVSW-UHFFFAOYSA-N 351.406 2.377 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccncc3)cn2)cc1 13809281 YXDBEKIPOXKIJG-UHFFFAOYSA-N 364.405 2.020 0 40 FEAB O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2ccccn2)CC1 225722045 NCJZTIXQJNJNMC-INIZCTEOSA-N 370.478 2.323 0 40 FEAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1ccccc1C(N)=O 75165722 JNBONWDSISMNSJ-MRXNPFEDSA-N 353.378 2.090 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20106107 VSHJJUVZNSSXEH-KRWDZBQOSA-N 374.418 2.055 0 40 FEAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C 45521318 JTOHQJMCFAFYHB-FOIQADDNSA-N 372.421 2.412 0 40 FEAB COc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 810788 DKQNRWJNWPYJMR-UHFFFAOYSA-N 370.405 2.185 0 40 FEAB CC(=O)Nc1cccc(-c2nnc([C@H]3CCC[C@H](NC(C)=O)C3)nn2)c1 1704359 QXEAYYWBHBNGPE-HOCLYGCPSA-N 354.414 2.054 0 40 FEAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1F 32198755 HYOWWQATOOBPBK-CYBMUJFWSA-N 364.442 2.408 0 40 FEAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 20732911 HATUOBNFDVLBMZ-GOSISDBHSA-N 374.481 2.338 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc3c(c2)OCO3)cc1 8181261 XJFJRDOOYCFAIH-UHFFFAOYSA-N 361.419 2.204 0 40 FEAB CCN1C[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)CC1=O 100665289 HECGFNSSUJIMIH-LBPRGKRZSA-N 365.393 2.023 0 40 FEAB Cc1cccc(OCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 32818259 NTJZIUGENFGRAZ-UHFFFAOYSA-N 353.378 2.064 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c(Cl)n1 89626786 NQJKIPSXEHXWSF-UHFFFAOYSA-N 351.819 2.434 0 40 FEAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)c3ccccc3O)cc2)C1=O 53127289 VITBDAFDVZTGQN-UHFFFAOYSA-N 367.405 2.153 0 40 FEAB CC(C)C(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 22278576 HGFVUXQPRKGRNV-UHFFFAOYSA-N 358.417 2.002 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(N2CCCC2)nc1 24032229 WFIYDXGQQXOGRA-UHFFFAOYSA-N 366.421 2.436 0 40 FEAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCC(=O)OC 12394690 BYDZAPAQQNYVDV-SNAWJCMRSA-N 359.172 2.497 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2C)no1 58408659 IGVWRCIKJWJPIJ-UHFFFAOYSA-N 351.790 2.421 0 40 FEAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C(C)(C)C)cc1 24820175 LGCFKBRJVGIIKL-QGZVFWFLSA-N 366.527 2.061 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 47217176 RYLITBVFIATDIJ-ZWKOTPCHSA-N 359.426 2.387 0 40 FEAB C[C@@H](C(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)nn1)n1cncn1 1403855 YDADETGESHJOQR-VIFPVBQESA-N 352.276 2.201 0 40 FEAB CCCOc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cn1 107619806 OKKFQGOVCOTDQE-CYBMUJFWSA-N 362.455 2.348 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)OC[C@H]3CCCCN32)cc1Cl 58160198 IYARUZFATOFYOK-TZMCWYRMSA-N 352.818 2.457 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)N1CCNC1=O 10214935 XJVDJYBDKACESN-LBPRGKRZSA-N 350.374 2.355 0 40 FEAB Cc1ccnc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)c1 58226769 KANLVGXIKPRUQF-RUDMXATFSA-N 357.435 2.483 0 40 FEAB Cc1cc(N)nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 12534354 VSEIPHDSAMNSOZ-NSHDSACASA-N 357.439 2.223 0 40 FEAB CCOc1c(Cl)cccc1NCC(=O)N1CCN(C(=O)C2CC2)CC1 58300102 CMAZGCPAOXLJKQ-UHFFFAOYSA-N 365.861 2.231 0 40 FEAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC[C@@H]4C 2236400 HYECBUNATRZYBS-VIFPVBQESA-N 359.455 2.463 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)COC)sc2c1CC[C@@H](C)C2 3322190 IPPNTCYNRVRFFQ-SNVBAGLBSA-N 369.439 2.178 0 40 FEAB CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 3387987 JVOKQCFUIRMHNA-UHFFFAOYSA-N 352.799 2.442 0 40 FEAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)ccc21 12765794 VTHASKPRZXOJJI-UHFFFAOYSA-N 355.373 2.301 0 40 FEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2cncn2)cc1 12802724 QPOGLBAZQDIWSN-FQEVSTJZSA-N 361.449 2.331 0 40 FEAB COc1ccccc1CNC(=O)CSc1nc2sccc2c(=O)[nH]1 8456447 BXJQSVPSLMVFSG-UHFFFAOYSA-N 361.448 2.402 0 40 FEAB CCOC(=O)Cn1cc(/C=C2\NC(=S)N(CC)C2=O)c2ccccc21 3641833 GOKKAOXNNQLSQA-ZROIWOOFSA-N 357.435 2.282 0 40 FEAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCCN2C(N)=O)cc1 81957078 QPUPKVZXXOZJRE-ROUUACIJSA-N 359.470 2.088 0 40 FEAB Cc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c(n1)c(C)nn2C 28557437 GVKLVABBNMPLAQ-UHFFFAOYSA-N 356.455 2.004 0 40 FEAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 4555444 YVFLUNSIPOUOJU-KRWDZBQOSA-N 367.401 2.470 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1OC 14225093 YBWVKXRGSWZKEE-UHFFFAOYSA-N 365.436 2.187 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 6787797 XFXVQEVSIAOWDN-OAHLLOKOSA-N 368.437 2.002 0 40 FEAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCC[C@H]3C(=O)O)ccc12 4860542 JDCPRLYIRIIRKP-NHYWBVRUSA-N 359.378 2.198 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(O)c1ccccc12 67240301 DUOLLVHESAMLTB-UHFFFAOYSA-N 360.782 2.469 0 40 FEAB COC(=O)CON1C(=O)CN(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 96580719 UXTFZNSAEWYUCD-GOSISDBHSA-N 369.377 2.166 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C(C)C)c1C 9076972 HVZDXPIZQCQAPN-JTQLQIEISA-N 351.432 2.349 0 40 FEAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OC)c2)C1 96000132 YAMGQEOCBFLCQA-OAHLLOKOSA-N 358.442 2.383 0 40 FEAB CCOc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cc1CO 71964158 RRVSNMOMAUAJFM-UHFFFAOYSA-N 362.451 2.293 0 40 FEAB COc1cccc(-c2nc(C(=O)OC[C@H]3CCC(=O)N3)cs2)c1OC 72271164 UFQSQKULYROCEO-SNVBAGLBSA-N 362.407 2.263 0 40 FEAB C[S@@](=O)C[C@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 72298098 FPKNAZOPURDENK-FYSMJZIKSA-N 350.484 2.015 0 40 FEAB O=c1[nH]ncn1-c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 95941733 VAKRQMSAOVIGND-UHFFFAOYSA-N 368.777 2.154 0 40 FEAB CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C 95942033 GUFMIULVJGPHEH-FQEVSTJZSA-N 358.438 2.197 0 40 FEAB Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)NC(=O)c3ccco3)c12 9952662 VGKUZHZSXGAJKQ-UHFFFAOYSA-N 371.349 2.361 0 40 FEAB COc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1OC 21538564 KCIOLRJPBRJHLG-UHFFFAOYSA-N 360.391 2.439 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)CCn1c(S)nnc1-c1cccs1 25048229 VWYWYPZYWKNZHP-UHFFFAOYSA-N 362.484 2.078 0 40 FEAB O=C(CCn1cnc2cc(Cl)ccc2c1=O)NC(=O)NC1CCCC1 25583931 JKEFEDVSUDEJDO-UHFFFAOYSA-N 362.817 2.208 0 40 FEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1 408594450 SBAJVNAVEGPFHJ-UHFFFAOYSA-N 362.455 2.434 0 40 FEAB CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 408619250 GVXKVNKUSOVZTN-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cn1 30019698 QSTJRQSZGZHZMH-GORDUTHDSA-N 350.875 2.493 0 40 FEAB C[C@H](N[C@@H](C)c1nnnn1C)c1cc2c(cc1Br)OCCO2 189833752 YAIJQJXHGSLTPF-IUCAKERBSA-N 368.235 2.156 0 40 FEAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc3ccccc3n2C)cc1 79488951 UKEMZBMBSGJPOO-UHFFFAOYSA-N 372.446 2.391 0 40 FEAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1cc(F)ccc1F 225771480 PJZZVRWWAOBZRI-UHFFFAOYSA-N 364.323 2.255 0 40 FEAB Cc1cc(=O)oc2c(NC(=O)C(=O)NCc3ccccc3)c(O)ccc12 49543503 KWZQELBBYBSAES-UHFFFAOYSA-N 352.346 2.062 0 40 FEAB biogenic Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3nn[nH]n3)cs2)c(C)c1 1591948275 DWEULKQNNVUNIU-UHFFFAOYSA-N 371.470 2.319 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240877 OVYNADDJONMRTK-GOSISDBHSA-N 374.456 2.246 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96217711 MULKHGMPPVEOPR-YLJYHZDGSA-N 352.438 2.281 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC2(CN(Cc3ccc(O)cc3)C2)C1 96202414 TXRLVVSWLGJHGY-UHFFFAOYSA-N 358.463 2.289 0 40 FEAB COc1ccccc1CN1CC2(CC[C@H](CNC(=O)c3ccno3)CO2)C1 248154582 YDNARWNTKAQXIX-OAHLLOKOSA-N 371.437 2.094 0 40 FEAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1ccnn1C)CC2 248072059 XXYJRMJFCFIORR-INIZCTEOSA-N 372.469 2.014 0 40 FEAB O=C(NC[C@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1 247495890 OCKZYYXEYDHKBA-KRWDZBQOSA-N 353.470 2.330 0 40 FEAB CC(=O)N1[C@@H](CNC(=O)COc2ccccc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257254916 KFFOPRNQMBHHPP-RDPOXOKHSA-N 374.481 2.112 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)NCc1ccco1)c1cc2ccccc2s1 253394083 ACDYHAGTZCUKDR-GOSISDBHSA-N 358.419 2.134 0 40 FEAB CC(C)c1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)on1 257287188 POWTZRRTEGVBLP-INIZCTEOSA-N 357.401 2.106 0 40 FEAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)on1 257320463 VWXTXAZBJGDTKB-IBGZPJMESA-N 358.442 2.029 0 40 FEAB CCc1nccn1CCC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257221150 DNRRFXZIZJDTLP-LJQANCHMSA-N 357.458 2.358 0 40 FEAB Cn1cccc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1=O 253406151 UGBASHLPMUONME-KRWDZBQOSA-N 360.460 2.174 0 40 FEAB Cc1noc(C)c1CNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 663816539 WNPMYUBCFQTKPM-NVXWUHKLSA-N 359.430 2.227 0 40 FEAB CN(C)[C@H]1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)C[C@@H]1O 72418069 HMFJCDLRHBFLKO-IRXDYDNUSA-N 355.417 2.037 0 40 FEAB CO[C@@H]1C[C@H](CNc2nc3ccc(F)cc3n2C)N(c2ccncn2)C1 1775959673 OJOABBQWXDNMLX-ZIAGYGMSSA-N 356.405 2.208 0 40 FEAB COc1ccccc1C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962830 MAFBJFKFAGWHGR-UHFFFAOYSA-N 372.465 2.329 0 40 FEAB O=C(Cn1c(O)nc2ccccc2c1=O)N1CC[C@H]1c1cccc(F)c1 608213481 FSIRABNXGGQWDQ-INIZCTEOSA-N 353.353 2.215 0 40 FEAB CCN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C)C[C@@]12CCOC2 1615590177 ZPOQZNNGTRFONG-OAQYLSRUSA-N 368.481 2.426 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 585095673 AQTHIZOHWYXZOS-UNEWFSDZSA-N 372.494 2.233 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)cc2c1OCCO2 57115678 KCBRUUYWWCRRJE-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](C)c2ccccc2)C1 105644530 LMXCHXMUMGLBRV-RDJZCZTQSA-N 352.500 2.358 0 40 FEAB COc1cccc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 75611020 MJDVMAMZUMWFTP-UHFFFAOYSA-N 368.481 2.463 0 40 FEAB Cc1ccnc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)n1 5885813 PHTZIFJLQSVUCG-UHFFFAOYSA-N 362.499 2.271 0 40 FEAB Nc1nc(N)c2c(n1)CC[C@@H](S(=O)(=O)c1ccc3ccccc3c1)C2 5117563 RVGOYYJACXCEJO-CQSZACIVSA-N 354.435 2.125 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12 13598211 PWBLWVLXMGIXNP-QGZVFWFLSA-N 350.374 2.042 0 40 FEAB biogenic CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 14607204 UIVWSBDKRYAFKV-AWEZNQCLSA-N 357.414 2.397 0 40 FEAB COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 16025453 UHBPGAZIRSJCPQ-DZGCQCFKSA-N 367.405 2.286 0 40 FEAB COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 16505806 HHJHSEFFNCEKPL-NSHDSACASA-N 352.387 2.140 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)Cn1ncn2c(cc3ccsc32)c1=O 19455833 MGEFPTYWUBPFCP-GFCCVEGCSA-N 370.434 2.441 0 40 FEAB NC(=O)c1ccc(-c2ccc([C@H]3CN(c4ncccn4)CCO3)nc2)cc1 19692599 AGKUGWYCKUIKHZ-GOSISDBHSA-N 361.405 2.215 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1 19709097 UJPNTSAEWAUSMQ-QGZVFWFLSA-N 372.469 2.233 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O 2657857 VKWGFUJHFMMSHD-VIFPVBQESA-N 358.268 2.478 0 40 FEAB in-vitro O=C(NCCCN1CCOCC1)c1cccc2c1-c1ccccc1C2=O 19202414 AKTYENNISUNANI-UHFFFAOYSA-N 350.418 2.350 0 40 FEAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCC[C@H]1c1ccc(O)nn1 585124105 LTERMEFVSPHRSD-ZDUSSCGKSA-N 374.832 2.203 0 40 FEAB O=C(c1ccno1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888843364 FOJACBXQZXKZEF-QWRGUYRKSA-N 352.316 2.297 0 40 FEAB COc1ccc2nc(N3CCCN(S(=O)(=O)C4CC4)CC3)sc2c1 1889191836 IPGFKPJREQHMHO-UHFFFAOYSA-N 367.496 2.309 0 40 FEAB Nn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccco1 20980995 YTCUKOWKLKFGOR-UHFFFAOYSA-N 374.813 2.434 0 40 FEAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)NC1CC1 1775963775 BXKITTJJJOHPEM-AWEZNQCLSA-N 373.388 2.034 0 40 FEAB biogenic,in-vitro CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 23019762 VMEYOELWFOZDKU-UHFFFAOYSA-N 358.217 2.401 0 40 FEAB COC1(CNC(=O)C(=O)NCCC2=CCCCC2)Cc2ccccc2C1 245108427 SWVJNUNCEFAHFG-UHFFFAOYSA-N 356.466 2.293 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037839744 CAEJBQMLBXCOAW-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCc2[nH]nnc2C1 291850330 DNJXPIRTFDWXFC-ZWKOTPCHSA-N 367.497 2.328 0 40 FEAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 2720161 DJANAAKXQJBCRG-UHFFFAOYSA-N 364.427 2.059 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)c2cccnc2SC)cc1 13717170 UDRILVKMBIROCB-UHFFFAOYSA-N 359.451 2.361 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(C(=O)c3cccc(Cl)n3)C[C@H]2O1)NC1CCC1 2055714857 VLPROTGFYARTMY-NJZAAPMLSA-N 363.845 2.023 0 40 FEAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c1 101271018 JLKJBHYKUVVEPL-HOTGVXAUSA-N 370.340 2.341 0 40 FEAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1 585146940 WVTYHABBLPHEFQ-AWEZNQCLSA-N 357.447 2.266 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2ncc(Cl)cc2Cl)CC1 376425383 ZVCAMJNCZQSERL-UHFFFAOYSA-N 350.271 2.393 0 40 FEAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)O)n1C 72328123 FWHHUNQLPXOYNX-QMMMGPOBSA-N 354.819 2.136 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 40068841 ZUXJHRRMEUHZKM-VXGBXAGGSA-N 367.243 2.097 0 40 FEAB COc1ccccc1OCC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 40047426 BXDRRVUWVJDFLR-GASCZTMLSA-N 350.459 2.078 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N[C@@H]2CCCCNC2=O)cc1C 40127538 SHFSJGDGKSNSJN-MRXNPFEDSA-N 372.494 2.366 0 40 FEAB CSc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 11232990 ITOUXNMGQKGFOZ-UHFFFAOYSA-N 362.432 2.192 0 40 FEAB Cc1cc(I)ccc1S(=O)(=O)n1ccnc1C 831015 WKDFAAUDEJZFGK-UHFFFAOYSA-N 362.192 2.342 0 40 FEAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCSCC3)nn1C)C2 32071775 PQOPHOMADKHUDC-UHFFFAOYSA-N 359.451 2.198 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1 51417885 HUMAZOMXKUBYML-UHFFFAOYSA-N 370.434 2.177 0 40 FEAB CC(C)c1noc(CS(=O)(=O)CCC(=O)Nc2cccc(F)c2)n1 46135364 QSXHZUXYFKPYNT-UHFFFAOYSA-N 355.391 2.276 0 40 FEAB COc1ccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1 7939810 VRZAUOQQTRUDEA-UHFFFAOYSA-N 362.426 2.406 0 40 FEAB Cc1nc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cnn(C)c2n1 67903802 LQKAZOYNSJFNNF-INIZCTEOSA-N 366.425 2.401 0 40 FEAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ncc(C)s3)CC2=O)c1 20721185 MSODOZINIUWAJI-LLVKDONJSA-N 361.423 2.460 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2cc(C)cc(C)c2)c1 55526394 SISYHGIXFJNUNE-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB O=C(c1ccco1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101669061 RCHQSQYPDPZVSV-UHFFFAOYSA-N 367.405 2.256 0 40 FEAB O=C([C@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F)C(F)(F)F 8941487 KLEHINJTODMJFT-XLDPMVHQSA-N 372.290 2.204 0 40 FEAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)n1C 32946962 PNLDMKHIIFIXGP-NWDGAFQWSA-N 350.444 2.159 0 40 FEAB CCOc1cc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1OC 83724415 IVVLIPSGCAWMMM-CQSZACIVSA-N 359.430 2.328 0 40 FEAB Cn1c(=O)n(CCC(=O)OCC(=O)NC2CCCCCC2)c2ccccc21 11962138 NZLNNAGADDDWOY-UHFFFAOYSA-N 373.453 2.112 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1=O 33470995 RZAFOQFXSPNGGS-STXHMFSFSA-N 357.454 2.348 0 40 FEAB CNC(=O)C1CCN([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 12334585 SAAFYNTYGNETKX-QGZVFWFLSA-N 371.525 2.314 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1 12340569 PHJXQOPJNXJNMW-UHFFFAOYSA-N 370.452 2.367 0 40 FEAB O=C(O)[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 89774513 HXGWYFDLPLAKAT-CYBMUJFWSA-N 357.328 2.439 0 40 FEAB CCOc1cc(C)c(Br)cc1S(=O)(=O)N1CCOCC1 8714777 ZFADBSZRZHDEDT-UHFFFAOYSA-N 364.261 2.177 0 40 FEAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccc(Cl)cc1Cl 20635208 KXCKRNXGOMDSCK-UWVGGRQHSA-N 363.222 2.007 0 40 FEAB Oc1c2c(nc3cc([C@@H]4CCCNC4)nn13)CCN(Cc1ccccc1)C2 100003401 HOHOCNXEZPXLTI-MRXNPFEDSA-N 363.465 2.460 0 40 FEAB CCN1CCN(C[C@H](C)CNCc2cnn(-c3ccc(F)cc3)c2)CC1 105440996 WQCGGGCWEWHRIB-QGZVFWFLSA-N 359.493 2.375 0 40 FEAB O=S(=O)(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 24601872 TXVMCDCIFCEKDJ-UHFFFAOYSA-N 360.479 2.138 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)NCc1ccccc1 21131544 ZKTMUUZCMSWQFJ-HNNXBMFYSA-N 370.380 2.038 0 40 FEAB Cc1cc2c(cc1C)[n+](C)cn2C[C@@H](O)COc1ccccc1C(=O)O 26770601 VGGYYSFUMBFARA-OAHLLOKOSA-O 355.414 2.221 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1)[C@H]1CCCO1 107333630 CHXRNUGMUMNIAK-LVEBTZEWSA-N 366.483 2.343 0 40 FEAB O=C(NC1CC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 3234303 WQXXAQBGKFSQQM-GOSISDBHSA-N 374.437 2.220 0 40 FEAB CN(C)[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1cccc(F)c1 57498207 GRLXIVFMRAHHLA-GOSISDBHSA-N 353.401 2.439 0 40 FEAB O=C(O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 3293366 CPFMSAOWIALYPS-UHFFFAOYSA-N 363.016 2.119 0 40 FEAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)Nc1nncs1 58159240 IBJRRLFWLSZODM-SECBINFHSA-N 362.333 2.118 0 40 FEAB CN(C)c1cccc(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 58172007 NHVGLQROLSHYKM-UHFFFAOYSA-N 366.396 2.368 0 40 FEAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCCC(=O)O)c(C)c2oc1=O 2155007 HDHZUYKCECICBX-CYBMUJFWSA-N 361.394 2.467 0 40 FEAB biogenic CN(CCC(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 58304569 AJAPLAHUMOKFLZ-UHFFFAOYSA-N 372.796 2.419 0 40 FEAB CCNc1nc(NC(C)C)nc(OCCNC(=O)Nc2ccccc2)n1 2279322 JAKJXBXIZPCJOD-UHFFFAOYSA-N 359.434 2.324 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1C 58457591 DRVJIDPXOIUDKK-INIZCTEOSA-N 371.524 2.260 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(F)ccc1F 3319835 QNWOZFDHKHZNJQ-LJQANCHMSA-N 371.343 2.297 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1Cc2ccccc2O1 48355255 RDNLYSPAKRCZLX-QGZVFWFLSA-N 361.401 2.030 0 40 FEAB CC(C)(C)N(Cc1ccccc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 12893726 DYNKOCBSHNXLQN-UHFFFAOYSA-N 365.437 2.256 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2cccc(Cl)c2)c2ccccc2O1 7826747 PMJAQECTNMPRPE-MRXNPFEDSA-N 360.797 2.259 0 40 FEAB CC(C)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 3457237 SHGQZVVJRKLDDU-UHFFFAOYSA-N 351.497 2.491 0 40 FEAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCCn1ccnc1 7990296 HSDJVNQAWYDWAX-UHFFFAOYSA-N 362.433 2.486 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)c1 12924374 YIXWKXKKQGRLAU-HNNXBMFYSA-N 350.396 2.295 0 40 FEAB Nc1nc(Cn2c(-c3ccccc3)noc2=O)nc(Nc2ccccc2)n1 70011323 IOYMZUBOHLFGQU-UHFFFAOYSA-N 361.365 2.062 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)ccc1C 8327450 SMLDNJAMHGAICX-UHFFFAOYSA-N 352.378 2.318 0 40 FEAB COc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 4662574 LWURPFSEPLNEAE-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5558380 ZXOINSDJOKJYDR-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB COc1cccc(CN(C)[C@H](C)C(=O)NC(=O)NC2CCCC2)c1OC 8533851 HYBQDJHLOMITNH-CYBMUJFWSA-N 363.458 2.293 0 40 FEAB O=C(c1ncccn1)N1CC2(C[C@@H](COCC3CC3)CCN2CC2CC2)C1 306132041 KWHUPRBUOFXJFR-SFHVURJKSA-N 370.497 2.220 0 40 FEAB Cc1ccc(C(=O)O)cc1N[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 25572634 ADGQSEUNWXQFPE-QGZVFWFLSA-N 352.390 2.475 0 40 FEAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1C 4933161 IFJAMYFJZVKSQK-HNNXBMFYSA-N 361.467 2.169 0 40 FEAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC(C)C)nc23)c(C)c1 67255651 SAZAEYIREVJHRC-UHFFFAOYSA-N 371.466 2.184 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 23603543 BBWUHYAEZDXCPE-UHFFFAOYSA-N 374.462 2.290 0 40 FEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 18749441 INKZJVORBFBLIK-UHFFFAOYSA-N 356.313 2.253 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)C1(n2cnnn2)CCCCC1 71287051 UMJCNQBTJFFBMU-UHFFFAOYSA-N 356.405 2.312 0 40 FEAB C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 27566184 RAHDGKQQMFVOKU-PIKUFOSFSA-N 361.530 2.260 0 40 FEAB CC(C)(C)OC(=O)NCc1ccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)cc1 84240730 LJSGGZXHNMOIHN-CQSZACIVSA-N 369.439 2.055 0 40 FEAB CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@@H]1CCN2CCCC[C@H]12 95351217 UNXAYSLWNXFQQD-CHWSQXEVSA-N 359.396 2.214 0 40 FEAB C[C@@H]1OCC[C@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br 95449007 FROLOMDGRUOZIC-TVQRCGJNSA-N 373.222 2.002 0 40 FEAB O=C1c2nn(Cc3cccc(F)c3)c(=O)n2CCN1Cc1ccccc1F 98213057 ABIZLTZTBNAIND-UHFFFAOYSA-N 370.359 2.027 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1OC 88777292 MXTHGQKJXZFZIM-CYBMUJFWSA-N 365.455 2.304 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2cccc(OC)c2)CC1 20492547 WLGJIJQKXKISCI-INIZCTEOSA-N 350.415 2.153 0 40 FEAB CCC(=O)N1CC(F)(F)C[C@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306142967 XPKKAIQPILYDCG-QGZVFWFLSA-N 368.428 2.115 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)c1 306141580 WAZAIRXHDQHZIE-QGZVFWFLSA-N 363.479 2.051 0 40 FEAB CC(C)c1nnc2ccc(SCC(=O)NCCc3ccccn3)nn12 524733660 BJWJYAUKPLURPK-UHFFFAOYSA-N 356.455 2.094 0 40 FEAB O=C(O)[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218432707 HHBOGWJEQVAYCR-VYDXJSESSA-N 366.822 2.343 0 40 FEAB C[C@@H]1CCCCN1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373068 PGKPIPGUSCGULC-SJORKVTESA-N 372.513 2.160 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 32736740 UFCXKRVLFPWWIU-NSHDSACASA-N 369.259 2.443 0 40 FEAB Cc1nnc(Nc2cccc([C@H]3CCCN(S(C)(=O)=O)C3)n2)s1 72375978 GKHIWNBNIWRWRJ-NSHDSACASA-N 353.473 2.124 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 222863340 XSXODXXNNKELFR-HNNXBMFYSA-N 370.449 2.410 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)c3cccs3)C[C@H]1CN(C(C)=O)C2 96056017 SFMNTZMXNDWSRP-KSSFIOAISA-N 364.467 2.012 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)c(C)c1 96097706 ICHAZLCFCWMQAP-INIZCTEOSA-N 372.512 2.144 0 40 FEAB O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC(CC(F)(F)F)CC1 333095529 ADKZZPSRJJGRRC-UHFFFAOYSA-N 372.395 2.083 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96240810 XFZQPBNUDRQUGU-SFHVURJKSA-N 374.456 2.150 0 40 FEAB COCCN1C(=O)C[C@H](c2ccccc2)C12CCN(CCN(C)C)CC2 96069709 CFHOTJDZIXSTQV-LJQANCHMSA-N 359.514 2.045 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC2(C1)OCC[C@H]2COCC1CC1 247345248 UEFNQNLMRCIATL-AWEZNQCLSA-N 355.431 2.032 0 40 FEAB CC(=O)N1CCN(Cc2ncc[nH]2)C[C@H](Cc2ccc3ncccc3c2)C1 257233677 GQEYPNVBTKWIEL-SFHVURJKSA-N 363.465 2.481 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NC2CCOCC2)[C@@H]1c1ccccc1OC 257220953 DMXWNIQDXHWQSK-APWZRJJASA-N 360.454 2.290 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1ccncc1)C[C@H]2c1ccccc1 257310875 UGZNCYDSZIWMCF-CBPXPLCBSA-N 365.477 2.279 0 40 FEAB COCCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257248499 JDXKTXKFJRCHNI-GOSISDBHSA-N 368.861 2.240 0 40 FEAB CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@@H](OC3CCC3)C1)CC2 654523278 UAJWQKYJXGGAQK-GOEBONIOSA-N 361.490 2.459 0 40 FEAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(N(C)C)cc2)s1 90746381 WWCKSDGCDJWNPN-OAHLLOKOSA-N 354.497 2.388 0 40 FEAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575422333 BGGAGSSZCMWSTB-LSDHHAIUSA-N 359.513 2.280 0 40 FEAB CS(=O)(=O)NCC[C@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112276 MQUATDSJGVJCDO-INIZCTEOSA-N 368.890 2.033 0 40 FEAB Cn1cccc1C(=O)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093165 GOAKNEPPLUPKOQ-KRWDZBQOSA-N 351.397 2.135 0 40 FEAB COCCN1CC[C@]2(CN(Cc3cccc(C)n3)CC(F)(F)C2)C1=O 585093291 NTORLPHTOLQLQY-KRWDZBQOSA-N 353.413 2.096 0 40 FEAB COCCN1CC[C@]2(CN(C(=O)C3=CCCCC3)CC(F)(F)C2)C1=O 585093151 FMVRATJWAUKPEB-KRWDZBQOSA-N 356.413 2.220 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNC2CCCCC2)[C@@H](O)C1 585282557 GSXHCVPCDFIERF-HKUYNNGSSA-N 366.889 2.200 0 40 FEAB NC(=O)c1cc([C@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)[nH]n1 585273221 YLXNASBKIRQSOO-NSHDSACASA-N 358.467 2.469 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 685942266 HHQHLKCGZAFCCO-KYEUOEQNSA-N 358.417 2.028 0 40 FEAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC2(CCOCC2)C1 75342159 BIEKSJOWJOPFIB-GOSISDBHSA-N 356.466 2.249 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 630222267 FUDPRQFHNAAATM-JHJVBQTASA-N 350.381 2.363 0 40 FEAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@@H]3CO)c2c1 1634203625 YZKHZNYVJWFESW-MRXNPFEDSA-N 353.466 2.478 0 40 FEAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396978 ABCDHASODNZKHB-GOEBONIOSA-N 373.478 2.069 0 40 FEAB biogenic,in-vitro Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN([C@@H](C)C(N)=O)C2)on1 12121243 HIPWLQXLNYNYLO-UONOGXRCSA-N 368.441 2.054 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O 12146615 DMGYHTCBLJLEAO-MRXNPFEDSA-N 364.405 2.279 0 40 FEAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)cc1OC)CC2=O 13637218 GNWAUNOHFOXCCP-LLVKDONJSA-N 371.389 2.482 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)[C@H](C)c1ccccc1)C2=O 15523745 KINFNAGDIUBNPA-RDYUPDBUSA-N 372.469 2.211 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(Cl)cc2)n1 17638002 JROQJCYVXDYQIS-LLVKDONJSA-N 356.856 2.380 0 40 FEAB O=C(C1CC1)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19014644 OUEBUKKDCJYCJK-CQSZACIVSA-N 356.470 2.209 0 40 FEAB Cc1cn2c(=O)c(C(=O)NCCCn3ccnc3C(C)C)cnc2s1 19717082 GPPIWFFRTCEIJZ-UHFFFAOYSA-N 359.455 2.204 0 40 FEAB CN(C)c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1889108879 DLSGFHUNPUQKLI-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)n1 1848353926 GWAOESVVYHAFSI-QGZVFWFLSA-N 350.378 2.253 0 40 FEAB CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F 25320024 HANRLJASCBZCOM-JTQLQIEISA-N 352.378 2.144 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909061 QYLINEGFBOPNFA-LJQANCHMSA-N 351.418 2.375 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cc(-c2ccco2)on1 253472968 QUNVEVHIKRLNRS-ZDUSSCGKSA-N 356.334 2.169 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 9708553 PTUYRXMLNADWBT-UHFFFAOYSA-N 363.417 2.085 0 40 FEAB O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)c1cccs1 12068897 AHESECCFJUAYIN-UHFFFAOYSA-N 365.524 2.239 0 40 FEAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c1 33114673 JLKJBHYKUVVEPL-HZPDHXFCSA-N 370.340 2.341 0 40 FEAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCc1cccs1 38479362 ZEANVZHPKJGIFM-UHFFFAOYSA-N 369.402 2.017 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCc2ccc(-c3cnn(C)c3)nc2)c1 575616146 JWZOERAECUVUKT-UHFFFAOYSA-N 370.434 2.163 0 40 FEAB C[C@H]1CN(C(=O)Cn2c(C3CCNCC3)cc3cccnc32)C[C@@H](C)O1 12133717 QGOAPBZSGQKPIK-GASCZTMLSA-N 356.470 2.139 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCOC1 40089196 XJTOBXQRNMRKTA-DOMZBBRYSA-N 370.902 2.344 0 40 FEAB CN1CCN(Cc2ccccc2CNC(=O)Cc2ccccc2F)CC1 40089774 WKFUGNLXXQVPDZ-UHFFFAOYSA-N 355.457 2.432 0 40 FEAB COCCn1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1=O 31033744 CVYRAGJMJSXINE-UHFFFAOYSA-N 357.288 2.041 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc2ncccc12 8072251 CXHJWDGRZGOCIK-UHFFFAOYSA-N 352.394 2.428 0 40 FEAB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@@H]1N2C(=S)SC 4743683 SMMQRRVKRYCIDI-LMYYQBSISA-N 353.465 2.173 0 40 FEAB CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1 4873659 JXZZTUJQAUBQAG-QGZVFWFLSA-N 374.464 2.145 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(Cl)c1 4995284 SZWHDJKVUYDPAW-UHFFFAOYSA-N 366.870 2.465 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1 6817763 ZICCTVBWENDLLP-UHFFFAOYSA-N 370.431 2.104 0 40 FEAB C[C@H](Nc1ncc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2n1)c1cccnc1 101462501 VOPCVRCDQLTULX-ZDUSSCGKSA-N 374.404 2.096 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1 8476035 MZMAYSLNBAESMW-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100421271 CSSBPZDYBJWQFO-KSVNGYGVSA-N 368.389 2.052 0 40 FEAB CC(=O)N1CCN(C(=O)CCC(=O)N[C@H](c2cccs2)C(C)C)CC1 32745046 SQCKUFJWKRZNMD-SFHVURJKSA-N 365.499 2.032 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2)n1 102608164 VMLRCFXKDZKCPG-TVFCKZIOSA-N 351.406 2.215 0 40 FEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c2cccnc12 53513479 MYTIVHKPLTVSLT-NEPJUHHUSA-N 361.829 2.379 0 40 FEAB CC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccnc3)C2)cc1 23190968 DFXVJZVSTHDLMF-QGZVFWFLSA-N 358.423 2.151 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099569 NJQGBENKAPWPLQ-IYBDPMFKSA-N 370.405 2.143 0 40 FEAB C[C@@H]1CN([C@H](C)CNC(=O)CCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 105637250 IUMSQJAGMWUOEM-KZNAEPCWSA-N 370.497 2.419 0 40 FEAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCCC1 24992576 JAMQANIDWCURSC-CHWSQXEVSA-N 364.829 2.247 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CNC(=O)Nc1cccc(C)c1 107340532 SPMXMYMWXVUXJK-XIRDDKMYSA-N 373.453 2.449 0 40 FEAB Cc1c(CC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)ccc12 2158037 NSTZDWNJRDSQJA-SFHVURJKSA-N 367.357 2.292 0 40 FEAB biogenic CCNC(=O)CNC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 48300359 GXGOSDKCFIZDPZ-UHFFFAOYSA-N 358.423 2.434 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3452614 XVCFOQQECYGFEB-LBPRGKRZSA-N 354.362 2.416 0 40 FEAB Cc1nc(SCC(F)(F)F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 12920791 NTVZGZCNLDOKRW-UHFFFAOYSA-N 362.377 2.109 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1OC(F)F 12974501 NLWVXVYJKAQYSO-UHFFFAOYSA-N 353.325 2.091 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 12995252 BXQHVLKYISTGGY-GOSISDBHSA-N 374.462 2.029 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 3595803 SFCDCHHSPVFQSJ-YJYMSZOUSA-N 359.426 2.443 0 40 FEAB COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C)nc23)cc1 306141644 WCULLMWADKPNTP-UHFFFAOYSA-N 366.465 2.413 0 40 FEAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 13300739 VMAFZGXVNBDALP-UHFFFAOYSA-N 370.408 2.214 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 28223288 UDGQYCUXYXKGQQ-SECBINFHSA-N 368.352 2.455 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 8345983 XNFZRFNLERNYNI-UHFFFAOYSA-N 357.341 2.088 0 40 FEAB O=C(C[C@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(Cl)c(Cl)c1 13691198 HYVUHLYJXQIZAN-GFCCVEGCSA-N 371.224 2.349 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3o2)CC1 4332528 NXMFCJORNJMVGM-UHFFFAOYSA-N 359.378 2.391 0 40 FEAB NC(=O)c1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1 65520949 YFRAWYQDKPADJZ-UHFFFAOYSA-N 372.469 2.022 0 40 FEAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)[C@@H]1CCCO1 9516277 YSLTWKMPECPFEI-KRWDZBQOSA-N 358.394 2.435 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(n2cccc2)CC1 72277203 KUMPRRTWXDZOIM-IAGOWNOFSA-N 357.454 2.217 0 40 FEAB C[C@@H](CNC(=O)Nc1nncc(-c2ccccc2)n1)CC1(C)OCCO1 72305942 WZVUPQSRRLAXPN-CYBMUJFWSA-N 357.414 2.449 0 40 FEAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 84752807 XTWNGZCESBNMAG-MJGOQNOKSA-N 365.433 2.176 0 40 FEAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1(C)C 95987030 AUTBBJXIMNVRFC-FASAQXTFSA-N 360.454 2.368 0 40 FEAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c[nH]1 174612031 BFTQOQVAKMDHRY-UHFFFAOYSA-N 363.820 2.434 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N(C)c2cccc3cccnc23)cc1 500563372 JSQYJGQAMYQMEF-UHFFFAOYSA-N 355.419 2.420 0 40 FEAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(OC)cc3OC)C2=O)cc1 36635631 JOWQZJUAMCLQKN-INIZCTEOSA-N 356.378 2.456 0 40 FEAB CC(C)CCc1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)n[nH]1 524730010 RBIPBVZRAHWNJV-RVKKMQEKSA-N 358.486 2.471 0 40 FEAB biogenic COc1cc2c(cc1OC)[C@H](NC(=O)C1(n3cnnn3)CCCCC1)CC2 524735162 BCSZMVITBWDQTR-OAHLLOKOSA-N 371.441 2.153 0 40 FEAB O=C1C[C@H](c2cccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c2)CN1 533399025 XTNQAUCGQIOLMZ-LRDDRELGSA-N 367.380 2.494 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C(F)(F)F)cc1 71980055 DHHODYYOCDDWOL-ZDUSSCGKSA-N 372.343 2.053 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1Cl 71980117 TUVWCHHRRJIFQU-AWEZNQCLSA-N 352.818 2.078 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCN2)N1CCN(c2ccccc2F)CC1 78403702 NMLWCADKJMOKCW-UHFFFAOYSA-N 361.442 2.305 0 40 FEAB COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(Cl)c1 40266333 DEPADLYTZDNFHQ-OAHLLOKOSA-N 366.780 2.032 0 40 FEAB COc1cc2c(cc1S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1O)CCCC2 223126988 CGJTXJSCJYNLKR-HZPDHXFCSA-N 353.484 2.498 0 40 FEAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225223856 UPLDPXKGRXHBPK-AWEZNQCLSA-N 356.488 2.401 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Oc2cnccn2)C1 225468149 ABYXNTPTTYMDSD-GOSISDBHSA-N 363.421 2.405 0 40 FEAB CNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225986362 DNDRQVUCGLUQJF-UHFFFAOYSA-N 352.843 2.454 0 40 FEAB CCS(=O)(=O)C1CCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 192488661 IZMRHBXXZDOPRE-HNNXBMFYSA-N 368.499 2.371 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96226949 XAMPFTGQMYTHDT-XLIONFOSSA-N 353.397 2.389 0 40 FEAB COc1ccc([C@@H]2CCN(c3nccc(N[C@@H]4CCCOC4)n3)C2)cc1 333271836 NVYIUGPIQASXBZ-IAGOWNOFSA-N 354.454 3.070 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NCc1cccnc1 96206462 WWTLRKBPOMMHQG-GUDVDZBRSA-N 355.438 2.218 0 40 FEAB CCS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1N 95932357 VSFZZCFEGIKUHD-UHFFFAOYSA-N 359.495 2.385 0 40 FEAB O=C(NC1CC1)c1ccc(CN(C(=O)CN2CCCCC2=O)C2CC2)cc1 97219589 PMWWSHCCQTUFCJ-UHFFFAOYSA-N 369.465 2.082 0 40 FEAB CCOCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C 96109702 FVNXTBWJTCKDFZ-CYBMUJFWSA-N 357.410 2.294 0 40 FEAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)Cc3cccs3)CC2)N1 96069778 SMQAYUXXTATAQU-INIZCTEOSA-N 355.463 2.351 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)on1 96106250 UABNLPLLYIOCAP-OAHLLOKOSA-N 357.410 2.468 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)c1cccnc1 247468201 DIUFHTIWWRYULG-QGZVFWFLSA-N 351.410 2.248 0 40 FEAB C[C@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257303524 SHOUXEGEYGXHQX-HXUWFJFHSA-N 354.406 2.128 0 40 FEAB CN1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)[C@@H]21 257290144 QBTDAHWENBSEJB-UTRMSSBJSA-N 356.397 2.345 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCC[C@H](C)C2)n1 260743202 ZLNYIJJPOLNHKT-LBPRGKRZSA-N 353.492 2.044 0 40 FEAB C[C@H](c1nccs1)N1CCN(C(=O)NCc2cccc(C(=O)O)c2)CC1 635526472 RTVVOYAYQRBGJS-CYBMUJFWSA-N 374.466 2.430 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(=O)O)C1 659173499 NVIQUSWUWVAVLL-BBGACYKPSA-N 373.327 2.327 0 40 FEAB C[C@H]1OCCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1nc(C2CC2)no1 671597060 FBSAKEBMOYJUNA-BMIGLBTASA-N 357.414 2.151 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1ncnc2ccc(F)cc12 1775957053 XPMGCLCEHFTSLX-FZMZJTMJSA-N 358.377 2.052 0 40 FEAB Brc1cnc(OC[C@H]2CCCN(c3nncs3)C2)nc1 1775996055 SGTXRRPVHQNENR-VIFPVBQESA-N 356.249 2.386 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)cn1 585111529 CTXUGQKCYRGMMJ-GOSISDBHSA-N 371.489 2.023 0 40 FEAB COCc1ccccc1-c1cnc2n1CCN(C(=O)c1ccnnc1)CC2 585111021 AOBQWNAUYXZENT-UHFFFAOYSA-N 363.421 2.185 0 40 FEAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(C(N)=O)cc2)cc1C 56032010 WYMJOFDCRZWNJE-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB O=C(NCC1(OCCO)CCSCC1)c1ccccc1Br 952965347 ZJTYFXRYWVFYRB-UHFFFAOYSA-N 374.300 2.454 0 40 FEAB CCc1nccn1CC1(O)CCN(C(=O)COc2c(C)cccc2C)CC1 12143553 QRBDNGFGRQOTCS-UHFFFAOYSA-N 371.481 2.495 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)Oc2ccccc21 13676874 RCJGUDBRDXQIBH-KDOFPFPSSA-N 374.462 2.481 0 40 FEAB O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 17073301 GEPIJSOBKPDQKK-GMGZGELVSA-N 354.410 2.402 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnc(-c2ccncc2)n1 19347573 QRXRHQSSATYOSD-CQSZACIVSA-N 352.373 2.179 0 40 FEAB O=C(Cc1ccccn1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19374836 BINLLJMSCGKIFC-UHFFFAOYSA-N 365.433 2.244 0 40 FEAB CC(C)N1CCC(NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)CC1 19447844 SARSLTDONDRLRW-CSODHUTKSA-N 369.465 2.063 0 40 FEAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1NC[C@H]1COCCO1 19521637 GKAIGXNJGGNMKX-HNNXBMFYSA-N 360.458 2.321 0 40 FEAB CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C1CCN(C)CC1 19664957 PGUPFCCQAJYNOX-INIZCTEOSA-N 373.497 2.299 0 40 FEAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccccc1 19697236 JSZZWPBULZICMH-UHFFFAOYSA-N 360.417 2.476 0 40 FEAB CCN(CC)C(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935386 XQPNCAJQUKORSZ-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB CC[C@H]1COCCN1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 163922239 NYIFFCQPCPVUON-SFHVURJKSA-N 359.470 2.359 0 40 FEAB O=C(c1ccccc1)N1CCC[C@H](CS(=O)(=O)NCc2ccccn2)C1 521396670 JTQRUNFXICBIDW-INIZCTEOSA-N 373.478 2.053 0 40 FEAB O=C(O)[C@H]1CC[C@H](C(=O)NCCCc2ccco2)N1Cc1ccccc1 630649673 LLVLTZGRYDCQFW-QZTJIDSGSA-N 356.422 2.446 0 40 FEAB NC(=O)c1cc(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cs1 640178578 FDEITZWLBBRLIX-UHFFFAOYSA-N 365.846 2.250 0 40 FEAB CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2ccccc2O1 12236345 DHHCPHUBMTXNSN-MRXNPFEDSA-N 364.442 2.339 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 24487914 CPZYXPUUNYIZPO-UHFFFAOYSA-N 361.442 2.300 0 40 FEAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2ccc(C(F)(F)F)nc21 31450667 FERFKYNMRMVRRE-UHFFFAOYSA-N 353.275 2.301 0 40 FEAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)NCc3ccccc3)[C@@H](C)C[C@H]21 1775964281 AJMHBOCHGFIVGP-DZJNRPSUSA-N 359.470 2.005 0 40 FEAB biogenic,in-vitro Cn1cnc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037846732 WRIFJEAVHVQMHC-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB Cc1ccccc1NC(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 2087061344 MJYDSPNKZBFYNY-HUUCEWRRSA-N 363.425 2.033 0 40 FEAB O=C1C[C@H]2[C@H](CCN2c2cc(C(F)(F)F)ncn2)N1Cc1cncs1 1565541589 BLBHXWDYSXZZQR-QWRGUYRKSA-N 369.372 2.332 0 40 FEAB C[C@]1(C(=O)N2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)CC=CCC1 1565546572 HIPLYUAFBTZZPF-HOJAQTOUSA-N 359.470 2.264 0 40 FEAB CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccnc3)o2)c1 10250723 QRKGJPLWWOLQHW-UHFFFAOYSA-N 358.379 2.178 0 40 FEAB C[C@H](NC(=O)C(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1 38717521 RJJLHHBXVLROKE-ZDUSSCGKSA-N 350.378 2.230 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1 225562874 OCEUQXYQYZCMKS-UHFFFAOYSA-N 360.454 2.094 0 40 FEAB C[C@H](C(=O)NC1CCCC1)n1nc(-c2ccc3c(c2)OCO3)ccc1=O 44391651 DYIJFHOGNAPCAG-GFCCVEGCSA-N 355.394 2.259 0 40 FEAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19335730 LHWMMZPGNFPKLS-GOSISDBHSA-N 370.428 2.394 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 45564857 XTFNHHUEPCIWTQ-AWEZNQCLSA-N 356.426 2.472 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2Cc1ccc(F)cc1 917031 FMUUXWVSVGDXEI-UHFFFAOYSA-N 371.416 2.355 0 40 FEAB O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)N1C(=O)CCC1=O 1687434 DEGFZLVAUFGOGT-UHFFFAOYSA-N 362.385 2.186 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(Br)c1 3899998 JAYMFRYWIBHXEG-XQHKEYJVSA-N 352.184 2.350 0 40 FEAB O=C(NCC1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4217970 CUXHKESCJAOKIJ-UHFFFAOYSA-N 356.875 2.267 0 40 FEAB Cc1sc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)N(C)C 6679514 BTWYDMDKDNKQOB-UHFFFAOYSA-N 368.436 2.257 0 40 FEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1 7061952 KZYVOKHUEARXDP-UHFFFAOYSA-N 370.446 2.365 0 40 FEAB Cc1nc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)sc1C 20728978 RIRUXRXHNBQBHR-UHFFFAOYSA-N 357.443 2.053 0 40 FEAB CSCC[C@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101402629 YZSGGGOTGPUVBM-GRYCIOLGSA-N 367.496 2.379 0 40 FEAB O=C(O)c1nnc2sc(-c3ccc(I)cc3)nn12 57339040 RTWBDSPSFSJREW-UHFFFAOYSA-N 372.147 2.156 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1)NCCCN1CCc2ccccc2C1 29840870 RNIAWVBDSSTIRA-UHFFFAOYSA-N 369.440 2.120 0 40 FEAB CCCn1nnnc1Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 21661944 CNGQVCBNVOWJEK-UHFFFAOYSA-N 364.331 2.374 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 42081012 YWZBRRKSVFOQPZ-GJZGRUSLSA-N 370.419 2.441 0 40 FEAB COc1cccc(CNC(=O)CNc2cc(S(C)(=O)=O)ccc2C)c1 12523032 JYPYSPBTZSKDMN-UHFFFAOYSA-N 362.451 2.135 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)no1 23845923 QRGBLIBKAYYMFV-SFHVURJKSA-N 368.349 2.135 0 40 FEAB CNC(=O)CN(C)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 24275314 CWIKMVRTMDPBCF-UHFFFAOYSA-N 374.441 2.412 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc1 23078084 NFGYZYUMVMYYEF-CYBMUJFWSA-N 353.378 2.153 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(-n2cnnc2)c1 24703845 VODVRKGLNAKXGS-UHFFFAOYSA-N 365.393 2.035 0 40 FEAB Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)sc1C 24742296 MHMCCSFAJSCUGL-LLVKDONJSA-N 359.407 2.480 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1)C(=O)C2 104364067 CMTSKRVNGCMVNO-DHSIGJKJSA-N 365.451 2.127 0 40 FEAB CN(CC(=O)N1CCC[C@@H]1c1ccncc1)S(=O)(=O)c1ccccc1 25094434 ZWQQRJNZLRMBAA-QGZVFWFLSA-N 359.451 2.066 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 47903191 UQJJPRJTQJTUSU-MRXNPFEDSA-N 362.382 2.361 0 40 FEAB COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 44550678 MGIPBCSJDAWPDD-UHFFFAOYSA-N 364.423 2.463 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2Cc3ccccc3O2)c1 57800969 GMIMUZKCDUYEGT-MRXNPFEDSA-N 355.346 2.202 0 40 FEAB CCOC(=O)c1ccc(N2CCCN(C(=O)Nc3ccccn3)CC2)nc1 58050896 GGGVVIFHNWEDPV-UHFFFAOYSA-N 369.425 2.398 0 40 FEAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccccc2-n2cnnn2)c1 58270508 CGZIHKZBQNVBPP-UHFFFAOYSA-N 351.410 2.430 0 40 FEAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccn(Cc2ccncc2)n1 58218083 MAQFSHUHJYVMFG-GFCCVEGCSA-N 355.423 2.145 0 40 FEAB O=C(Cn1c(C2CC2)nc2ccccc21)NCCCCN1CCOCC1 58368935 SLHFECYGLJLHMX-UHFFFAOYSA-N 356.470 2.142 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 36383769 YEAMBWHLNMRBSI-UHFFFAOYSA-N 351.450 2.380 0 40 FEAB Cc1csc2nc(CN3CCC[C@@H](C(=O)NCC(C)C)C3)cc(=O)n12 48287260 XHBSSPZTFFEPLY-CQSZACIVSA-N 362.499 2.049 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1OC 28435074 MYZHUOSJUAOCEK-ZDUSSCGKSA-N 374.462 2.477 0 40 FEAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3449754 XSSGRLPYLRSUBJ-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3480523 NLNGTSNYHDURBK-KRWDZBQOSA-N 351.406 2.487 0 40 FEAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12913108 WOLJWQFIJODZNR-ACJLOTCBSA-N 371.412 2.098 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 3563544 BDGAINWSZKGKED-FQEVSTJZSA-N 350.374 2.367 0 40 FEAB O=C1O[C@H](C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)Cc2ccccc21 69528621 JFXFOJWIFYJZSP-KRWDZBQOSA-N 361.357 2.157 0 40 FEAB O=C(CCc1ccccc1Cl)N1CCN(CC(=O)N2CCCC2)CC1 39976139 SMJRHPQSFOBBTC-UHFFFAOYSA-N 363.889 2.039 0 40 FEAB COc1c(Cl)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 39984287 JOZXQDHEZMKRGH-ZDUSSCGKSA-N 352.239 2.309 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](C)C2 5274329 GEIXYLQGQIUGTC-GFCCVEGCSA-N 354.410 2.105 0 40 FEAB CCOc1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccco2)cc1OC 6510519 ZXTNULGXISKJKO-ZDUSSCGKSA-N 360.410 2.464 0 40 FEAB COc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 4745180 APSSHFCXNRPNIV-GFCCVEGCSA-N 367.357 2.106 0 40 FEAB CCN(CCNC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(C)c1 9117637 CUABGTHRNQJQJS-UHFFFAOYSA-N 354.454 2.420 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 7068276 DDOHYWHBYOAKPJ-KRWDZBQOSA-N 350.382 2.054 0 40 FEAB COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842940 UNXQTYPVZVWGHD-LBPRGKRZSA-N 374.418 2.260 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OC/C=C/c1ccccc1 7771899 UJMVGHMJABENRI-RNVIBTMRSA-N 370.430 2.370 0 40 FEAB CN(Cc1ccncc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005139 UZEYYJKFUSAWIL-QGZVFWFLSA-N 365.499 2.024 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2cccnc2)cs1 96118377 WODBRVZOTKOBAA-UHFFFAOYSA-N 363.406 2.362 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 19797393 BXAOJOHHLXHYBU-CYBMUJFWSA-N 370.430 2.345 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(C)c(O)c2)s1 9315291 GBPCGGUOGKLIRP-UHFFFAOYSA-N 361.419 2.480 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1F 83854335 FTDWFNJEEHUPMQ-IRXDYDNUSA-N 364.417 2.219 0 40 FEAB CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1ccccc1Br 72307399 KNCYXMMIWUYENR-JTQLQIEISA-N 364.261 2.315 0 40 FEAB COCCn1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc2c1=O 72325980 YRQFMRIFWMCSKS-CQSZACIVSA-N 358.438 2.335 0 40 FEAB biogenic C[C@H](O)C[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 84637012 SRIUTSSZKUUXTL-RDJZCZTQSA-N 365.433 2.067 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)o1 95957816 FKSRNCSCSXSEBE-DTWKUNHWSA-N 361.261 2.472 0 40 FEAB Cc1ccc2c(c1)CC[C@H](C(=O)NS(=O)(=O)c1nc(C)c(C)s1)O2 408492129 CJXQLVJPYJTTDG-CQSZACIVSA-N 366.464 2.267 0 40 FEAB O=C(Cc1ccoc1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 121866342 ZPUFNVOUGUMZEM-IBGZPJMESA-N 368.481 2.278 0 40 FEAB CCn1nc2n(CC(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 72347020 OOAXSJDKWOOTIH-KGLIPLIRSA-N 355.442 2.166 0 40 FEAB CC(C)n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccnc21 72346862 UOPZFNRYGFMZSL-UHFFFAOYSA-N 368.393 2.189 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225023362 UZUUMPLYDVCHAI-LLVKDONJSA-N 368.484 2.481 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N2CCCCCc3ccccc32)cn1C 570755751 DFNLYDJLAKJAHK-UHFFFAOYSA-N 361.467 2.306 0 40 FEAB O=C(Cn1cnc2ccccc21)N1CC(n2cc(-c3ccccc3)nn2)C1 225662839 BXIMVYRFJVTZLS-UHFFFAOYSA-N 358.405 2.378 0 40 FEAB CCn1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1=O 47182002 YBEOOWAGSUHIPS-INIZCTEOSA-N 355.394 2.238 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 222755476 LXNHJPGHSYHILC-CQSZACIVSA-N 374.462 2.294 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCc2onc(COCC3CC3)c2C1 96085089 ZYOCKUCBYXSWJP-UHFFFAOYSA-N 366.414 2.487 0 40 FEAB Cc1cnn(C2CCCC2)c1NC(=O)N1CCc2nc[nH]c(=O)c2CC1 96165470 IEAWFFQYSVOHLQ-UHFFFAOYSA-N 356.430 2.023 0 40 FEAB CC(C)Nc1nc(N2CCCC2)nc2c1CCN(C[C@H]1CCOC1)CC2 96083840 KULSVQCVYZDQIF-MRXNPFEDSA-N 359.518 2.334 0 40 FEAB Cc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1 96181571 CKBHCDKLCKJEBP-UXHICEINSA-N 352.434 2.252 0 40 FEAB CCS(=O)(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)OC[C@@H](CO)O1 96531795 CTRJYALJCLKXJQ-MOPGFXCFSA-N 362.447 2.349 0 40 FEAB O=C(NCCc1ccccn1)c1nc2c(s1)CCCN2C(=O)C1CC1 96087993 CMAHEKSQNSZCGR-UHFFFAOYSA-N 356.451 2.200 0 40 FEAB COc1ccc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)cc1 247913304 VFDVESZCUQDAKI-LJQANCHMSA-N 374.481 2.068 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 248151295 UEOJLCZTDXXXBA-INIZCTEOSA-N 362.470 2.033 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 242738854 DEMSHHBTAOZZOF-UHFFFAOYSA-N 367.471 2.178 0 40 FEAB Cn1ccnc1CN1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 257324060 WMYNHQDEKFBEJY-OAHLLOKOSA-N 364.457 2.198 0 40 FEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)cc(N(C)C)n1 257304922 SNRBOKCGLFIWRL-KRWDZBQOSA-N 356.474 2.108 0 40 FEAB CN(C(=O)OC(C)(C)C)C1CCC2(CC1)Cc1c(O)nc(O)nc1O2 257310930 UHFVXOXMBDOUAY-UHFFFAOYSA-N 351.403 2.371 0 40 FEAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)Cc1ccsc1 257252888 JWNRXWZKBZSASD-INIZCTEOSA-N 358.467 2.389 0 40 FEAB COc1cccc2c1CCN(S(=O)(=O)c1ccc3[nH]c(=O)ccc3c1)C2 542050312 COUJKOKMAZCEIR-UHFFFAOYSA-N 370.430 2.284 0 40 FEAB Cc1noc(C)c1-c1ccnc(C2CCN(S(=O)(=O)N(C)C)CC2)c1 257340770 ZHMTVSHYLFHCPS-UHFFFAOYSA-N 364.471 2.339 0 40 FEAB Cc1nc(C[C@H]2CCCN(c3ccnc(C)n3)C2)cc(C(=O)N(C)C)n1 257317904 VLQHYGQPCUFKNW-OAHLLOKOSA-N 354.458 2.044 0 40 FEAB CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC[C@@H](c3ccncc3)C2)C1=O 595487280 FWCXEEWMQVATGK-IAGOWNOFSA-N 359.470 2.204 0 40 FEAB CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)C1 668278097 YBSCRAWQJIGOBV-FZMZJTMJSA-N 369.439 2.322 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nc(C)cs1 71745167 FFYRPXFITVLXRG-SFHVURJKSA-N 370.434 2.389 0 40 FEAB biogenic O=C1CC[C@@]2(CCCN(c3cccnn3)C2)CN1CCc1ccccn1 77457843 DOAVEGANSBMJOP-HXUWFJFHSA-N 351.454 2.323 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NC3CC(F)(F)C3)C2)c1 575403398 HUBYCPVTMZZSHT-INIZCTEOSA-N 374.391 2.303 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1ccco1)CC2 585104336 HFBJXPIHUSAOJG-MRXNPFEDSA-N 350.459 2.146 0 40 FEAB O=C(NC[C@H](O)COc1cccc(F)c1)c1cc2ccccc2oc1=O 56669896 RBHZWIWUMCFPBU-AWEZNQCLSA-N 357.337 2.102 0 40 FEAB NC(=O)[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1 57448296 DPWXNNBZWQEDEM-MRXNPFEDSA-N 354.797 2.482 0 40 FEAB Nc1nc(N)c2c(n1)NCN(OCCOc1ccc(Cl)cc1Cl)C2 13212095 MEMDVUAAXZABLT-UHFFFAOYSA-N 371.228 2.143 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 16090737 SDMZLMQFPSEJJX-LLVKDONJSA-N 374.509 2.038 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)NC[C@H]1CC[C@@H](C(=O)O)CC1 217499501 NVIWNXPQHBCMDR-HAQNSBGRSA-N 359.378 2.048 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@@H]2c1ccc(Cl)cc1 104138176 HOOFKUCFQZTARO-ZBFHGGJFSA-N 373.844 2.302 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1 1888866662 BDFDSSMKHBWOQA-UHFFFAOYSA-N 352.442 2.444 0 40 FEAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888899381 SPKZXYYNSJVGIT-UHFFFAOYSA-N 353.430 2.364 0 40 FEAB O=C(Nc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565551098 ABGPNIZFFHQYLG-UHFFFAOYSA-N 368.422 2.033 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565542586 PNVCLJUZXIFHPE-HBFSDRIKSA-N 371.412 2.133 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5221286 WLUIGKYRLDUVOM-HNNXBMFYSA-N 352.390 2.302 0 40 FEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)C1 12440632 ZHAYIWYHJQEYJQ-KBPBESRZSA-N 355.456 2.492 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 40074552 ABUGDOWNZGARMN-LSDHHAIUSA-N 369.508 2.217 0 40 FEAB Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 40105839 JQIUYQPPPSKYMQ-VIFPVBQESA-N 369.219 2.253 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119975 LLWPWXGDDLMIEH-ZFWWWQNUSA-N 370.371 2.349 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(C(=O)O)cc1 100216094 OIROBBRJWJTYBR-VHRBIJSZSA-N 371.422 2.239 0 40 FEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1 20614214 SFHMLASLOZOWEP-QGZVFWFLSA-N 354.406 2.219 0 40 FEAB CN(C)c1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 20720378 FOKIWSOCAXFXBH-INIZCTEOSA-N 352.394 2.266 0 40 FEAB COc1cc(OC)c(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c(OC)c1 6588205 NRSBPYWMAYJGOU-QPEQYQDCSA-N 351.384 2.357 0 40 FEAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)on1 7939836 KCHTXAGIOYAWHZ-UHFFFAOYSA-N 359.382 2.446 0 40 FEAB COC1CCN(CCNC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 75106164 OSGATWAVKZBIFS-UHFFFAOYSA-N 356.470 2.330 0 40 FEAB Cc1c(C(=O)N2CCCN(C)CC2)sc2nc3n(c(=O)c12)CCCCC3 2633098 PLLTUDWFNHZJLY-UHFFFAOYSA-N 374.510 2.271 0 40 FEAB CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ncccc2c1=O 32885483 HEXFQUHKWPVUGC-NSHDSACASA-N 358.423 2.374 0 40 FEAB Cn1ncc2c(SCCCN3C(=O)c4ccccc4C3=O)ncnc21 21754687 AVKVDRXIUJKSAV-UHFFFAOYSA-N 353.407 2.142 0 40 FEAB CCN(CC)c1cc2c(cc1NC(=O)c1cccnc1)n(C)c(=O)n2C 9975312 CLSWHMFPSNGZJB-UHFFFAOYSA-N 353.426 2.371 0 40 FEAB C[C@H](C(=O)Nc1cccnc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957097 XPYWRBFAHPDTSQ-SNVBAGLBSA-N 355.366 2.153 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N1CC[C@H](OCCCc3ccccc3)C1)CC2 89740836 DVHZZNDKMVXRKJ-MOPGFXCFSA-N 368.481 2.399 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(Br)c2nsnc12 863169 JASXQPDCSVHDCG-UHFFFAOYSA-N 350.263 2.484 0 40 FEAB Cn1/c(=N\C(=O)c2cccnc2N2CCOCC2)sc2ccccc21 104786114 QJHBARVWUCYXFT-CZIZESTLSA-N 354.435 2.213 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)n1 21596174 SPVBFQWKTFTAMF-UHFFFAOYSA-N 352.851 2.038 0 40 FEAB CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NC(=O)NC)nc21 12537584 XOPJSXNDVLFLLF-SNVBAGLBSA-N 372.454 2.326 0 40 FEAB O[C@@H](CN1CCOCC1)CN1CCC(c2nc3ccccc3s2)CC1 26712548 BFHUJJVYIRTWRA-MRXNPFEDSA-N 361.511 2.169 0 40 FEAB COc1cc(C)cc(C(=O)N2CCCN(c3nc(C)ns3)CC2)c1O 76089189 FWPBLXHINGUNBQ-UHFFFAOYSA-N 362.455 2.222 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCCC1 58194914 XZJWSBJRSPISAM-SECBINFHSA-N 368.352 2.134 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 58166629 UIYXCWVOMXRBSF-HNNXBMFYSA-N 358.891 2.215 0 40 FEAB COC[C@@H](C)NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 408680959 UONMIWZVERVJTD-GFCCVEGCSA-N 362.879 2.037 0 40 FEAB O=C(CNC(=O)c1ccoc1)NC[C@@H]1CCCCN1Cc1ccccc1 58202387 WOJBGKFERDWPEJ-SFHVURJKSA-N 355.438 2.180 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@@H](C(=O)O)C2)cc1Br 62118284 BMKVBQXECJGFJI-LLVKDONJSA-N 356.216 2.323 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)CCNC(=O)c1ccc2ccccc2c1 48364714 ONQWPBQPCUJTNY-UHFFFAOYSA-N 367.449 2.041 0 40 FEAB CN(CC(=O)N1CCOCC1)C(=O)c1ccc(Oc2ccccc2)cc1 13013792 IPCKYJPTCFRAAT-UHFFFAOYSA-N 354.406 2.410 0 40 FEAB C[C@@H]1Sc2ccc(C(=O)N3c4ccccc4C[C@H]3C(N)=O)cc2NC1=O 64316578 PMFQFQTWIYOVNA-BONVTDFDSA-N 367.430 2.176 0 40 FEAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 4288887 AXPKQHVDUASZHA-YWZLYKJASA-N 357.454 2.188 0 40 FEAB Cc1cccc(-n2nnnc2Sc2nnnn2-c2ccccc2)c1C 8203318 UBUXUWLDOQQBLU-UHFFFAOYSA-N 350.411 2.406 0 40 FEAB C[S@@](=O)c1ccc(C(=O)NCc2nc(Cc3ccccc3)no2)cc1 65490148 DLGYNXOZGPQXKU-VWLOTQADSA-N 355.419 2.328 0 40 FEAB CCC[C@@H](C)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 6542751 DBRJMFPVNNJANK-CYBMUJFWSA-N 367.442 2.493 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CC1CCCC1 5528891 FSCOGOJNYDFSGO-UHFFFAOYSA-N 350.390 2.346 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2cnc3sccn3c2=O)cc1C 6603637 LRIZXEFFLLEFQD-UHFFFAOYSA-N 357.391 2.168 0 40 FEAB O=C(Nc1ccsc1C(=O)NCCCN1CCCCC1)c1cnccn1 67335702 HBWNQEZMRJZDTK-UHFFFAOYSA-N 373.482 2.396 0 40 FEAB COc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cn1 15658609 JKFDKJRVCSCXFA-UHFFFAOYSA-N 356.407 2.369 0 40 FEAB C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(-n2ccnc2)cc1 18047604 LBWUGALYTMGXNL-OAHLLOKOSA-N 373.416 2.460 0 40 FEAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)Cc1ccccc1C(=O)O 70666444 ZFMUFDZZVKLZQI-UHFFFAOYSA-N 356.378 2.452 0 40 FEAB biogenic COc1ccc(C(=O)Cn2c(=O)nc(N)c3c4c(sc32)CCC4)cc1 71283314 WOLIQHUXZPSMMO-UHFFFAOYSA-N 355.419 2.420 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 9115148 XAPLWMHKMNYNIO-QGZVFWFLSA-N 363.373 2.430 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1Cc2ccccc2O1 9217400 QCFKUYWJXKYOGP-SFHVURJKSA-N 372.446 2.413 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@H]4CCCO4)cc3)C(=O)[C@H]21 408670676 IYYAXVMNCOYEMB-ZSGPHXLJSA-N 368.433 2.297 0 40 FEAB COc1ncccc1CN1Cc2cncn2[C@H](COc2nccc(C)n2)C1 306138041 RNJVUMIXHUYPJQ-KRWDZBQOSA-N 366.425 2.021 0 40 FEAB Cc1ccccc1N(CC(=O)N[C@H]1COc2ccccc21)S(C)(=O)=O 84244040 LTJFGQKGZNNCID-HNNXBMFYSA-N 360.435 2.011 0 40 FEAB CNC[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870915 CORHTNUNKXTNTB-SECBINFHSA-N 353.307 2.049 0 40 FEAB CCO[C@H]1C[C@@H](OC(=O)Cn2nnc3ccccc3c2=O)C12CCCCC2 84800874 IABWEEQOVBBPKQ-DLBZAZTESA-N 371.437 2.463 0 40 FEAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ncccn2)CC1 73625205 XNKPZDLBPLRHNB-OAHLLOKOSA-N 351.454 2.115 0 40 FEAB COCc1ccccc1C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 89420367 DXOMYFGABMVVSP-UHFFFAOYSA-N 370.453 2.442 0 40 FEAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(Cc1ccsc1)C2)C1CC1 306124848 CAUDVRRODXLDCL-MAUKXSAKSA-N 357.483 2.203 0 40 FEAB CCn1cc(-c2nnc(SCC(=O)Nc3nccs3)n2CC)cn1 36631401 NZZNJIKDDQAARJ-UHFFFAOYSA-N 363.472 2.369 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1 32907367 ARWADRQVNLDNGW-UHFFFAOYSA-N 362.474 2.011 0 40 FEAB O=C(CNC(=O)c1ccoc1)Nc1ccc(I)cc1 30716468 CGSIQKVSYAVITM-UHFFFAOYSA-N 370.146 2.253 0 40 FEAB CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)on1 70815336 JSGIOWHYLRRBRW-UHFFFAOYSA-N 371.393 2.412 0 40 FEAB Cc1ccccc1OCCC(=O)N1CCn2c(nnc2[C@@H]2CCCCN2)C1 72374052 ZBKAKNOTWDLGDT-INIZCTEOSA-N 369.469 2.212 0 40 FEAB Cc1nnc(NC(=O)[C@@H](C)Cn2nc(-c3cccs3)ccc2=O)s1 61984106 FDYMUVRWARSACV-VIFPVBQESA-N 361.452 2.407 0 40 FEAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 193404926 AUTPJYCSUZVLFB-UHFFFAOYSA-N 368.418 2.352 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1C 40110912 AOMQKPLLPXXSGZ-FQEVSTJZSA-N 367.405 2.376 0 40 FEAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226277912 AHNTYDCQOIKOIS-UHFFFAOYSA-N 359.348 2.116 0 40 FEAB COc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCCC4)COC[C@H]3C2)cc1 96057211 HISMKXYYZLWSIH-GGPKGHCWSA-N 358.482 2.402 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)s1 582355016 MFXROYUZAVIDHD-UHFFFAOYSA-N 354.428 2.189 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242437524 CEIGEEVEAUKEIG-BFYDXBDKSA-N 366.822 2.343 0 40 FEAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(CC(=O)N(C)C)C2)n1 257252181 JTVBDDRBMKDSOP-CQSZACIVSA-N 374.514 2.479 0 40 FEAB CN1CCN(c2ccc(F)cc2C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 585080046 LTEJHECOIORXPE-QGZVFWFLSA-N 371.460 2.118 0 40 FEAB Cc1nc(CC(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)cs1 257205687 BADOXUSURYNRFD-UHFFFAOYSA-N 357.483 2.302 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)c1C 252496083 PEWIDHHEGOOEHA-NSHDSACASA-N 364.427 2.040 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2C(=O)c2c[nH]c(O)n2)N1 257300666 RVFYUENZQKXWED-KBMXLJTQSA-N 372.400 2.269 0 40 FEAB COc1cccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c1 36601290 PUNDVPAPZHMVHY-MRXNPFEDSA-N 353.378 2.165 0 40 FEAB biogenic Cc1cncnc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 96024474 YINVNZNBWHAXGJ-UHFFFAOYSA-N 368.462 2.449 0 40 FEAB CO[C@H]1[C@H](C(=O)N2CCC(c3ccccn3)CC2)CC[C@H]1N(C)C(C)=O 585281025 VKDRECPFMDSBDK-QRQLOZEOSA-N 359.470 2.060 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2scnc2C)Cc2cccn2C1 585099016 BAVMSLIPGIMMPX-OAHLLOKOSA-N 362.499 2.038 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)NCc1nc(C)c(C(=O)O)s1)C2 679400866 WWZHMFHXIVPKHU-LLVKDONJSA-N 362.407 2.026 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)s1)[C@@H]1CCCO1 49674853 CHXRNUGMUMNIAK-KPWCQOOUSA-N 366.483 2.343 0 40 FEAB COC(=O)c1cnoc1CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599543467 BOSGAWWZINFGJZ-BXUZGUMPSA-N 356.300 2.485 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 599835381 DAUKPUYUFKUUSC-GDBMZVCRSA-N 370.902 2.470 0 40 FEAB Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1N1CCOCC1 1651750543 FKBRILUDCIAIDL-CQSZACIVSA-N 354.454 2.389 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)C[C@H]3CC(C)(C)OC3=O)cc2n1 12154069 IYJYLKBELDZMGE-JSGCOSHPSA-N 372.425 2.139 0 40 FEAB COCCc1ncc(CN2CCC(O)(c3ccccc3OC)CC2)cn1 12292950 DLYHEPFWQRNLIF-UHFFFAOYSA-N 357.454 2.158 0 40 FEAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1CC2 19021921 LOOLJEPFTJHDBL-AEFFLSMTSA-N 358.486 2.088 0 40 FEAB CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19711540 AHVGTDCLFVQOSC-QGZVFWFLSA-N 369.444 2.209 0 40 FEAB Cc1ccc(N2CCC[C@H](NC(=O)c3ccn4cc(C)nc4c3)C2)nn1 635580811 MKWFBBVKRFKCRZ-INIZCTEOSA-N 350.426 2.140 0 40 FEAB O=C(NCc1cccnc1N1CCCC1)c1cccnc1O[C@@H]1CCOC1 253401185 MOVHFLQBKZUVHB-MRXNPFEDSA-N 368.437 2.175 0 40 FEAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12940504 SNANUKNMTGOIMU-FPYGCLRLSA-N 355.325 2.190 0 40 FEAB CCOc1ccc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)cc1 1888897074 KRPMEQCFIJJDAN-UHFFFAOYSA-N 366.425 2.248 0 40 FEAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 1848356844 CYNCNYOUDWXDPS-QZEKMECESA-N 350.422 2.490 0 40 FEAB Cc1ncnc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1F 1776009568 JCLMMBGEBMYQQQ-UHFFFAOYSA-N 358.392 2.444 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)no1 2037845983 JLDNBTJGZGCCSO-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1CC(F)(F)C1)C2 1565553605 FYWJEWMHUMVCPK-INIZCTEOSA-N 369.437 2.043 0 40 FEAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)cc1 4569014 VNGBIRPVVQIIJI-INIZCTEOSA-N 362.426 2.409 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)c1 10063822 YZLXIXRTMONHEM-UHFFFAOYSA-N 359.407 2.249 0 40 FEAB CCc1cnc2c(c1Nc1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C 12227122 HPIOEOUCVUONLD-UHFFFAOYSA-N 353.426 2.004 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1cccs1 12440025 AYJBNIRTSIOGKV-UHFFFAOYSA-N 374.447 2.004 0 40 FEAB COc1cc(C(=O)N2CCC[C@]3(CCCN3Cc3ccncc3)C2)on1 2055785094 DFFIRQKNWXTCCP-IBGZPJMESA-N 356.426 2.349 0 40 FEAB CCc1nc2sc([C@@H](c3cccs3)N3CCN(C)CC3)c(O)n2n1 22577966 IMLQXUXPJAGYAC-CYBMUJFWSA-N 363.512 2.457 0 40 FEAB CN1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccsc2)CC1 22765424 UVVLQDDYZMOOJO-SFHVURJKSA-N 359.495 2.232 0 40 FEAB O=C(c1ccccn1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974466 GYLPJKRKDBJMFU-UHFFFAOYSA-N 350.353 2.142 0 40 FEAB FC(F)(F)c1cccc(OCC2CCN(CCn3ccnn3)CC2)n1 585532064 MJTSIODURUSDCR-UHFFFAOYSA-N 355.364 2.483 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 40073631 YSEPSDVGHVWAJI-LSDHHAIUSA-N 351.516 2.362 0 40 FEAB Cn1cc(C(=O)OCC(=O)NCC2(c3ccc(F)cc3)CCCC2)cn1 50571631 ODQQCERPIZTPIZ-UHFFFAOYSA-N 359.401 2.344 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NCCOc2ccc(F)cc2)c1 45687139 WRPLCRUEYYRRGN-UHFFFAOYSA-N 356.361 2.310 0 40 FEAB CCOC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 866347 NDJZFHOVNXEJSL-UKRRQHHQSA-N 368.455 2.045 0 40 FEAB Nn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O 11518809 MRLINSPZBZPBFL-UHFFFAOYSA-N 374.853 2.172 0 40 FEAB CCCn1c(=O)n(C)c(=O)c2c(S[C@H](C)C(C)=O)nc(C(C)C)nc21 36807362 MJDFOJFNSLEXKH-LLVKDONJSA-N 364.471 2.093 0 40 FEAB O=C(O)CCC(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCCC3)c[nH]c2c1 31818832 OYPRNBJAKQSEIQ-KRWDZBQOSA-N 359.382 2.193 0 40 FEAB CC(C)CC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2cccs2)CC1 58168354 UYGYWNFBWDYEFW-ZDUSSCGKSA-N 365.499 2.020 0 40 FEAB COC(=O)c1nn(CN(CC(C)C)CC(C)C)c(=O)c2noc(C)c12 60349458 XHRJQPWYNPEHBR-UHFFFAOYSA-N 350.419 2.051 0 40 FEAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 60392568 KEMMAELNMQKMNG-UHFFFAOYSA-N 364.398 2.331 0 40 FEAB Nn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1C(F)(F)F 2659098 JLADDGBRVGZWQV-LLVKDONJSA-N 371.388 2.297 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)C2 102263449 MAJRPGDEJXIKJT-LSOBHCKCSA-N 356.466 2.125 0 40 FEAB Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 104278639 BIDSUTJVVLGBAM-HNNXBMFYSA-N 364.829 2.119 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCCC1 32958779 ADCYAHMOAUZLPC-HNNXBMFYSA-N 352.456 2.287 0 40 FEAB CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@H](C)COC)C2)s1 103084125 ABQWWDQYHLPSSF-QJPTWQEYSA-N 354.476 2.264 0 40 FEAB O=C1NCCCC[C@H]1Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 58341951 NEXUTRNQNWLQKF-XJKSGUPXSA-N 373.478 2.336 0 40 FEAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 102015450 HKGFAMQWXBOYHV-NUZBWSBOSA-N 361.419 2.080 0 40 FEAB COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 940443 HGFVOACMWUAOQN-OAHLLOKOSA-N 356.382 2.305 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC=C(c2c[nH]c3ccccc23)CC1 42868548 IUXJBEWAMFMUTG-AWEZNQCLSA-N 359.451 2.154 0 40 FEAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(c2ncccn2)CC1 24260690 JQYAMFWHKWKYJB-UHFFFAOYSA-N 369.450 2.393 0 40 FEAB O=CN1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 22277321 GMISSXQVPSWJAL-UHFFFAOYSA-N 364.858 2.176 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 1295765 SMLKJICDHLUSRA-WDMOLILDSA-N 371.340 2.247 0 40 FEAB CN(Cn1nc2sc3ccccc3n2c1=S)[C@@H]1CCS(=O)(=O)C1 12534380 OZLFAFLNPRRTSQ-SNVBAGLBSA-N 368.509 2.156 0 40 FEAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@H]1CCS(=O)(=O)C1)CO3 57140605 VIWCIPHTANKRMI-AWEZNQCLSA-N 363.435 2.003 0 40 FEAB Nn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 3302889 IALQDURGCWXIGV-UHFFFAOYSA-N 351.863 2.417 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)NCCc2ccccc2F)c1 10356301 FPANZPMZJLNUME-UHFFFAOYSA-N 365.430 2.239 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 3379485 DCCWAOIJUKMUKR-UHFFFAOYSA-N 358.350 2.047 0 40 FEAB Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 10555651 JZKRFCJZXFSHFW-UHFFFAOYSA-N 361.395 2.037 0 40 FEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2c2ccc(F)cc2)c2ccccc21 36360521 WQWXDOVZMMEBJK-JOCHJYFZSA-N 373.387 2.419 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccccc1 36386908 HCYJKOPNOPYTAY-UHFFFAOYSA-N 371.868 2.414 0 40 FEAB O=C(NCCSC(F)(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 48361805 PDVKFMNNMQORAI-UHFFFAOYSA-N 360.357 2.318 0 40 FEAB CC(C)c1cc(C(=O)Nc2ccn(CC(N)=O)n2)c2cnn(C(C)C)c2n1 48361579 JHAJKILZZDXVSM-UHFFFAOYSA-N 369.429 2.070 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1 3480528 IGIBWXWOUIWSTB-KRWDZBQOSA-N 351.406 2.487 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c(OC)c1 12979905 AFHPSBUJQJIEGE-SFHVURJKSA-N 356.378 2.456 0 40 FEAB CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 68340877 YGRXVZPTZLRQOU-MOPGFXCFSA-N 357.498 2.020 0 40 FEAB COc1ccc2[nH]c(C(=O)NCCC(=O)NCc3ccco3)cc2c1OC 13690714 QBYBRDUUBGYXQF-UHFFFAOYSA-N 371.393 2.214 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 6078960 GSOAIPWUJGFXHT-DYVFJYSZSA-N 368.437 2.032 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1 7846568 LNCRQWVNRKHXKA-UHFFFAOYSA-N 365.433 2.445 0 40 FEAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 67870894 RSIJLFBFNWOKOK-UWHLTILDSA-N 371.525 2.238 0 40 FEAB biogenic,in-vitro C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2ccnc2)cc1 7990233 VUMNJMBKOQDSPT-CQSZACIVSA-N 359.393 2.339 0 40 FEAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc(O)cc3O)n2)cc1 5321698 HBKSLDSDLRXYHD-UHFFFAOYSA-N 367.365 2.274 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 6571972 JNMTZTVBZDVFMQ-CQSZACIVSA-N 367.453 2.341 0 40 FEAB O=C(NCCCn1ccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4892250 NEJJIKMXHSDIAX-JXAWBTAJSA-N 364.405 2.454 0 40 FEAB Cc1ccccc1OCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 6810396 YHDIXRPKKIYGRH-OAHLLOKOSA-N 363.435 2.183 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCc4nc[nH]c4C3)c(C)c12 8765510 IDXVDAHNOLHTEQ-UHFFFAOYSA-N 367.405 2.269 0 40 FEAB biogenic COC(=O)c1ccccc1NC(=O)COC(=O)c1cn2ccc(C)cc2n1 8719994 SBHQWOMZCWKYDK-UHFFFAOYSA-N 367.361 2.225 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2C(=O)O)c1 70666569 OVDHXVHMRPCTIB-UHFFFAOYSA-N 371.345 2.139 0 40 FEAB biogenic CC(C)CCNC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 9737717 RMSRCOFNRXGVCF-FQEVSTJZSA-N 357.454 2.322 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3ccccc3n2)cc1 9322902 YOFNZTZGUVSNPL-UHFFFAOYSA-N 371.418 2.160 0 40 FEAB Cc1ccc2c(c1)OCCN2C[C@H](O)Cn1c(-c2ccccc2)noc1=O 97002816 QLQQGMNEOAXIFX-INIZCTEOSA-N 367.405 2.072 0 40 FEAB CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc21 84791059 DAJLRIAOCKBMAD-AWEZNQCLSA-N 353.426 2.176 0 40 FEAB C[C@H]1[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCN1C 95996531 YSCJBXNBDWGETN-QWRGUYRKSA-N 361.414 2.239 0 40 FEAB COc1ccc(-c2cc(C(=O)NCc3nnc4ccccn34)n(C)n2)cc1 79494702 NUYHWNSQEPZZHS-UHFFFAOYSA-N 362.393 2.068 0 40 FEAB COC(=O)C(=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)OC 409038605 ACYDFSPCEYAZDU-UHFFFAOYSA-N 369.373 2.434 0 40 FEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 34378025 UHNVSZUJPQTZTA-NSHDSACASA-N 361.847 2.312 0 40 FEAB O=C(COc1ccc(F)cc1Cl)N(C1CC1)[C@H]1CCS(=O)(=O)C1 39982344 WGWCKVRYHUTJMH-LBPRGKRZSA-N 361.822 2.036 0 40 FEAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C1CCCCC1 30849865 IEJKRRUJFUYBIN-INIZCTEOSA-N 352.456 2.005 0 40 FEAB COc1ccc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 31039748 LFJDJPHNXUGMFZ-AWEZNQCLSA-N 372.421 2.477 0 40 FEAB Cc1noc(C2CN(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)C2)n1 563602090 GLHIQEYDXAFTDS-HNNXBMFYSA-N 370.388 2.149 0 40 FEAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 35425245 BOQROUPGBHRMCO-AWEZNQCLSA-N 369.429 2.250 0 40 FEAB biogenic,in-vitro COC(=O)C1CCN(S(=O)(=O)c2ccc3cc(OC)ccc3c2)CC1 225134682 GZXVRMNWVOJVAV-UHFFFAOYSA-N 363.435 2.422 0 40 FEAB Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(C2CCCCC2)n1 329295706 KDGWJWSOBWUOED-UHFFFAOYSA-N 368.485 2.975 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)c1 47383423 GXYWDOSCOVJFDB-GOSISDBHSA-N 373.434 2.159 0 40 FEAB Cc1ccnc(N2CCN(C(=O)c3ccncc3N3CCCC3)CC2)c1 571244021 RHLJIXYIXJMWET-UHFFFAOYSA-N 351.454 2.348 0 40 FEAB CCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224312233 ICOZGKADBMSMLH-UHFFFAOYSA-N 354.458 2.459 0 40 FEAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@@H]12)N1CCCCO1 96057288 HVAGBEBBEJHASL-ZACQAIPSSA-N 350.484 2.387 0 40 FEAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2cnn(C)c2)n1 96055539 LJYIVGUFZUYVMG-FFZOFVMBSA-N 356.470 2.320 0 40 FEAB O=C1[C@@H]2CCN(Cc3cccc(F)c3)C[C@@H]2OCCN1c1cccnc1 96209484 QWQFGHHTLPCVKR-MOPGFXCFSA-N 355.413 2.475 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccn3)nc21)c1cccs1 96059795 NPXISCLCDUDLBB-OAHLLOKOSA-N 354.435 2.432 0 40 FEAB Cc1cc(F)c(S(=O)(=O)Nc2nncn2-c2cccnc2)cc1F 580357853 PHCDQMYDMDSPGM-UHFFFAOYSA-N 351.338 2.050 0 40 FEAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@H]2O)cc1 96111603 ACMNMTMMEAIRBK-QRVBRYPASA-N 355.438 2.035 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)o1 96207708 QPBAWHLHEFBAQT-YTQUADARSA-N 355.438 2.279 0 40 FEAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc(C)no2)C3)c1 247946241 WMTFIVCEEMIBCZ-INIZCTEOSA-N 357.410 2.277 0 40 FEAB CCC1(CC)CN(C(=O)c2coc(-c3cccnc3)n2)CCS1(=O)=O 585107763 LCPRFMHKNLYIJU-UHFFFAOYSA-N 363.439 2.166 0 40 FEAB Cn1cnc(CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)c1 257279081 OEYMNFIKNYPPHC-SFTDATJTSA-N 354.498 2.064 0 40 FEAB COc1ccc(OCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1 257265199 LXSFVULSILDGLS-KRWDZBQOSA-N 357.410 2.422 0 40 FEAB COC[C@]1(C)CN(Cc2ccc(C(=O)O)cc2Br)CCO1 629378704 IIRQDUNWMYFCKN-HNNXBMFYSA-N 358.232 2.385 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccccc1Br 644073141 FOVBPTOOGOVRAG-DFBGVHRSSA-N 353.260 2.167 0 40 FEAB Cc1cc(C(=O)CCC(=O)NCC(=O)NCC(F)(F)F)c(C)s1 57007818 QRQJZFCHTNFDIV-UHFFFAOYSA-N 350.362 2.123 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)on1 96005352 XVFTWEDKMPRJKF-AWEZNQCLSA-N 369.487 2.265 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(F)F)cc1 5842529 RTWZEPZPCOVWPP-CYBMUJFWSA-N 372.393 2.270 0 40 FEAB O=C(NC(=O)c1cccc(Oc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 5901322 OILUIVMZSVZPPY-CQSZACIVSA-N 374.418 2.105 0 40 FEAB Cc1cccc2nc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cn12 5983319 XGXSAENLJHWVOW-UHFFFAOYSA-N 365.345 2.013 0 40 FEAB O=C(C1CC1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182307 JIIUXWDGDWVFOD-HNNXBMFYSA-N 367.405 2.040 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 13116968 SWOQOKVTDFTGKZ-QZTJIDSGSA-N 350.418 2.254 0 40 FEAB COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 13566284 KBPBMDAPIDSJRH-FZKQIMNGSA-N 373.453 2.208 0 40 FEAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC(C)=O 15018682 HEEWHGZNMLQNPG-YVLHZVERSA-N 366.398 2.391 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCc3ccccc32)cc1 15563630 SAQUIBMZDUWWBV-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)N1CCOCC1 19078215 HMOWVXJCARTLMR-JKSUJKDBSA-N 350.434 2.164 0 40 FEAB CN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 19589952 QOQWFTIWOKVPPI-QGZVFWFLSA-N 372.473 2.259 0 40 FEAB CCOC(=O)N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 36414213 IERAWRDLXBKURB-UHFFFAOYSA-N 359.348 2.418 0 40 FEAB c1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc(C2CC2)n1 1888865582 AUZFQXQZWZZTMZ-UHFFFAOYSA-N 351.458 2.071 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)s1 1888879158 ZLDWDLPGTFRGSG-ZIAGYGMSSA-N 368.466 2.011 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cccnc3)CC2)nc1 30432134 IGAAZCFDKZCEGD-VMPITWQZSA-N 366.421 2.015 0 40 FEAB CC(C)N1C[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)COCC1=O 2037985326 FUEVSQQSYPSAHL-SFHVURJKSA-N 350.846 2.440 0 40 FEAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccccc4)cc1c32 9737968 ZINLKZASBPPBHS-CYBMUJFWSA-N 363.417 2.338 0 40 FEAB Cc1nc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cs1 2055745541 IQAPNDWIUUIXTM-LBPRGKRZSA-N 374.466 2.399 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)cn1 2055812413 MCVVBXBZNUMTDH-LJQANCHMSA-N 370.478 2.015 0 40 FEAB Cc1cc2ncc3c(n2n1)CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)C3 208035287 KYDHEJYFMYAIFW-HWKANZROSA-N 362.389 2.365 0 40 FEAB COc1ccc(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cc1 19553046 NIQFKKZAKVMHNP-HNNXBMFYSA-N 365.437 2.028 0 40 FEAB NC(=O)c1cccc(OCC(=O)NCc2ccccc2OC(F)F)c1 40156826 ZBCWHURSNAAKBQ-UHFFFAOYSA-N 350.321 2.082 0 40 FEAB O=C(NCCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1 55216221 QMIOARKHYZXZCB-UHFFFAOYSA-N 361.461 2.423 0 40 FEAB CN(CC(=O)NCc1ccccc1Sc1ccccc1)S(C)(=O)=O 78554736 AYGYOCSTTUPFQK-UHFFFAOYSA-N 364.492 2.345 0 40 FEAB CCc1nnsc1C(=O)N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 25224511 XCQXXMYJXJVCCU-UHFFFAOYSA-N 358.467 2.316 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccsc1 25332399 ACUCSYPMMGWSOI-GDBMZVCRSA-N 359.499 2.174 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCC(C(=O)NC2CC2)CC1 55915186 HGFIOPMPVQGHCF-JTQLQIEISA-N 369.387 2.422 0 40 FEAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(Br)o1 6971029 BKTOOICSQHWKCT-UXBLZVDNSA-N 362.139 2.104 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 7214248 LUMMGRWAURNGAK-UHFFFAOYSA-N 370.453 2.034 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(-n2cnnn2)cc1 27410977 TVOZDTGPNIQLNG-UHFFFAOYSA-N 365.393 2.096 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1 58174918 FXPWDYIXZKEGJR-JZXOWHBKSA-N 363.477 2.016 0 40 FEAB CC(C)CNC(=O)c1cc(NS(=O)(=O)c2cn[nH]c2)ccc1Cl 58172356 NVJCUPYXBXOJTQ-UHFFFAOYSA-N 356.835 2.250 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(C)c12 2122496 DZZVZQTWJZNCLC-KRWDZBQOSA-N 361.394 2.186 0 40 FEAB biogenic O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 58245731 KMOIGDCMRHRCGM-MRXNPFEDSA-N 370.428 2.276 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CN3C)N(C)C)cc1 58213182 AMXBXZAJFMWKJG-LJQANCHMSA-N 366.465 2.416 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc2)o1 44901109 ZCEAEQREYGCMPI-UHFFFAOYSA-N 354.341 2.439 0 40 FEAB CC(=O)N1CCCc2cc(NS(=O)(=O)C[C@@H]3CCCCO3)ccc21 76936914 WQZPHXWFKLNVNU-INIZCTEOSA-N 352.456 2.297 0 40 FEAB O=C(CSc1nnc2ccccn12)Nc1ccc(N2CCOCC2)cc1 3355087 WTZCAXXGVIHUFO-UHFFFAOYSA-N 369.450 2.297 0 40 FEAB COCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2248111 KHIUSBBEVPIRMU-UHFFFAOYSA-N 353.426 2.486 0 40 FEAB NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 45570645 PVBBAQXUICVJDY-IBGZPJMESA-N 366.465 2.422 0 40 FEAB CCN(Cc1cc(C)on1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 12743234 FKKRLPDDJQIDFP-UHFFFAOYSA-N 358.398 2.259 0 40 FEAB COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC 11610175 VVNDENIGVLOIOG-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc3ncccc3c2)cc1 58404012 YYMIMJPVHAVSEX-UHFFFAOYSA-N 370.434 2.246 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12198528 ZCAWWBIICSJSBX-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 3015764 BKIWHMZLTFZQNG-UHFFFAOYSA-N 353.426 2.013 0 40 FEAB COc1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 12562308 WJCYHXNTYNTQNN-SNVBAGLBSA-N 356.382 2.313 0 40 FEAB CCCCNC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O 51319334 JOGJZTCEKMAWKI-UHFFFAOYSA-N 359.426 2.056 0 40 FEAB CN(Cc1ccccc1Cl)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12771472 AVONZWGQJJRNLE-UHFFFAOYSA-N 371.824 2.392 0 40 FEAB O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 13167329 WUIXJOKNHVSMEG-UHFFFAOYSA-N 360.179 2.290 0 40 FEAB C[C@H](Cc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13686482 AVJKRCUPCIWRIZ-CYBMUJFWSA-N 367.405 2.062 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c(Br)c1 14197995 RVIQCMKZPOTLQK-GFCCVEGCSA-N 361.261 2.120 0 40 FEAB COc1ccc(NC(=O)[C@@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 14167881 QPWUDXKYPIGMFV-WMZOPIPTSA-N 374.462 2.152 0 40 FEAB COc1ccc(Cc2nn(CN(C)CC(=O)NC(C)C)c(=S)o2)cc1 14241310 WGSTTZGNAIQDLQ-UHFFFAOYSA-N 364.471 2.219 0 40 FEAB Cc1occc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 9691044 KVLPLBWCIQRZLL-UHFFFAOYSA-N 350.440 2.346 0 40 FEAB C[C@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@@H](c2ccccc2)O1 67828916 YUTGNHKYNQAUEL-KSSFIOAISA-N 354.406 2.153 0 40 FEAB Cn1nnnc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7735673 YWSNAAZKYFGUPP-UHFFFAOYSA-N 368.394 2.343 0 40 FEAB COc1cccc2c1OCC(C(=O)N[C@@H]1CCc3nnc(C(C)C)n3C1)=C2 95958457 MTTVJDUXDZHGLE-OAHLLOKOSA-N 368.437 2.317 0 40 FEAB C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 8311932 MUHJSZSXIZAGRR-SIFCLUCFSA-N 357.454 2.407 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccnc2)nc2ccccc12 17636268 CWIJZOSCCMGUMG-CQSZACIVSA-N 367.430 2.214 0 40 FEAB CCCCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 69818615 CLCRAXGPDDGANW-CQSZACIVSA-N 368.503 2.118 0 40 FEAB CN(C)CC1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1 89314198 VNGKCDNLPWMWIV-UHFFFAOYSA-N 373.497 2.429 0 40 FEAB COc1cc(C2(C(=O)N3CCO[C@H](c4noc(C)n4)C3)CC2)ccc1C 95468250 SGRPVVNKPJORGS-INIZCTEOSA-N 357.410 2.327 0 40 FEAB Cc1cc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)sn1 62022700 XLVDYTDUDBSAQJ-UHFFFAOYSA-N 369.454 2.282 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)c1 22229581 WXBQFIHUAGWFJX-CQSZACIVSA-N 354.472 2.071 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(CC4CC4)C[C@@H]2C3)cc1 306132418 LIBCCSOTGPGYFE-LSDHHAIUSA-N 367.453 2.053 0 40 FEAB COC(=O)[C@@H](C)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 71329009 BKRIGMXHAIDIRM-LLVKDONJSA-N 374.347 2.233 0 40 FEAB O=C(c1ccoc1)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306130886 JRVUUXJEYKVCRL-ROUUACIJSA-N 362.389 2.198 0 40 FEAB O=C(COc1ccccc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1 72390807 SKLGNTBETFCDBQ-MRXNPFEDSA-N 356.401 2.004 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCOc1ccccc1 39969240 BQOBGGKDZMYAAL-UHFFFAOYSA-N 353.426 2.211 0 40 FEAB COc1ccccc1Cc1nnc(NC(=O)c2cnn3cccnc23)s1 72392127 KBGRXJDSSNUSSM-UHFFFAOYSA-N 366.406 2.433 0 40 FEAB CCOCCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222577528 JINXXEANZMZOCL-UHFFFAOYSA-N 370.515 2.392 0 40 FEAB COc1cc(Sc2ncccn2)nc(NC(=S)NCC(C)C)n1 225890841 UKQMVQNNGBAVFQ-UHFFFAOYSA-N 350.473 2.369 0 40 FEAB COCC(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 134086961 APWWJHFPYNKOLD-INIZCTEOSA-N 361.486 2.241 0 40 FEAB COc1cc(C)n(CCNC(=O)c2ccccc2Br)c(=O)c1 225615934 WSXZSDYQXMYVHB-UHFFFAOYSA-N 365.227 2.358 0 40 FEAB C[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 223857979 SLKNANGDDMNZAN-LBPRGKRZSA-N 371.455 2.410 0 40 FEAB CC(C)(Cc1ccccc1)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223309801 MQVIRCAGBXQRCC-CALCHBBNSA-N 354.450 2.465 0 40 FEAB Cn1cc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)nn1 575109249 ITSKGYVDIRPYCG-UHFFFAOYSA-N 366.418 2.070 0 40 FEAB O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108888 CIKJFTIKVBIODS-IEBWSBKVSA-N 358.463 2.377 0 40 FEAB Cc1cccc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)n1 96159073 XVCCIJIADFVZPB-UHFFFAOYSA-N 357.433 2.191 0 40 FEAB CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@@H]1CCOC1 583615950 VPRVEHHDUTZYCI-NWDGAFQWSA-N 360.380 2.142 0 40 FEAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 96199935 JWPFBBOEVFFSIG-KRWDZBQOSA-N 353.397 2.499 0 40 FEAB Cn1nc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)ccc1=O 90592525 TVIMYALIVOAQLI-UHFFFAOYSA-N 374.872 2.009 0 40 FEAB CN(C)CC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1 248139239 SRLVCMMVVIOVLE-QGZVFWFLSA-N 356.470 2.262 0 40 FEAB CN(C)C(=O)[C@H]1CCN(Cc2ncc(-c3ccccc3C(=O)O)s2)C1 257250451 JMORYPVHNGUBQL-LBPRGKRZSA-N 359.451 2.418 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc(CN3CCOCC3)cn2)no1 257244243 IKMFFYBIPHXHSZ-SFHVURJKSA-N 356.426 2.188 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(CC2=Cc3ccccc3OC2)C1 257252896 JWORNGYKUQTJSM-HNNXBMFYSA-N 359.451 2.079 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1 257256526 KLVVSZJANNBMFS-KRWDZBQOSA-N 352.438 2.377 0 40 FEAB O=C(NCC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1)c1ccccc1 257305723 SREUSJPKPDOGGF-NEWSRXKRSA-N 365.433 2.127 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257246792 IVVYGOUOPQHHTK-INIZCTEOSA-N 350.426 2.329 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2ccccn2)C1 257231609 GHLDVQMKQOFHCI-NSHDSACASA-N 367.434 2.076 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cccc(F)c2)CC1 257239385 HPBLJGZXDGFWHB-UHFFFAOYSA-N 356.401 2.272 0 40 FEAB CCOc1ncccc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C 257339736 ZCZKHLPMZNMZDK-HNNXBMFYSA-N 356.426 2.053 0 40 FEAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 673735572 AJBMYZYPYRAMFH-LLVKDONJSA-N 358.364 2.115 0 40 FEAB CCOc1ccc2nc(NC(=O)c3ccc(-n4cncn4)nn3)sc2c1 96097866 AUDREYNJUPLQQP-UHFFFAOYSA-N 367.394 2.318 0 40 FEAB COc1cccc(CCC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c1OC 601983771 ULDVLUYHDLBJNT-INIZCTEOSA-N 368.433 2.327 0 40 FEAB C[C@@H]1OCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]1C(F)(F)F 622985134 MISGLXDUZNUBJT-BJJXKVORSA-N 370.371 2.213 0 40 FEAB CO[C@@H](CS(=O)(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C1CC1 629331474 RWZKPQKBFJVDBB-ZBEGNZNMSA-N 352.456 2.323 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575402989 HJMCRJGIJQAGBU-INIZCTEOSA-N 352.500 2.116 0 40 FEAB Cc1noc(COCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)n1 74532264 UWXNEAVTZBVQET-HNNXBMFYSA-N 355.398 2.145 0 40 FEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H]1CCc2ccccc2C1 75358647 NFRHNQLHEZKHDZ-DWRORGKVSA-N 373.522 2.386 0 40 FEAB Cn1cc(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cn1 95971365 FLORMMSOMOHDFE-UHFFFAOYSA-N 372.473 2.484 0 40 FEAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NCc1ccc(F)cc1 12114505 FQFOFKBTBGBTIZ-HTZLVSCSSA-N 369.440 2.352 0 40 FEAB COc1ccccc1OCC(=O)N[C@H](C)Cn1c(=O)oc2ccccc21 12142018 LOOHOEICVWKQGH-CYBMUJFWSA-N 356.378 2.187 0 40 FEAB Cc1ccc(-c2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)co2)cc1 12915002 IPHHTUIZNPHAHE-UHFFFAOYSA-N 373.434 2.110 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)NC1CCCC1 14202230 FOLOJAPCRGIUNK-IUODEOHRSA-N 350.415 2.025 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCC(C)C 16575145 DLWVMABDWMBBEG-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc(F)c2)n2nnnc2N1 17045466 UZFMGQPYLLCYED-QGZVFWFLSA-N 364.384 2.418 0 40 FEAB COc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 18180461 NZAGQVXDBMKMPF-UHFFFAOYSA-N 368.437 2.158 0 40 FEAB CCc1c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)c(=O)cc(C)n1C 19608330 CNVAWVQAWWAUSR-UHFFFAOYSA-N 365.437 2.322 0 40 FEAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3snnc3C)c2)C1 19712270 KUQJQELABYFEQD-LSDHHAIUSA-N 360.439 2.455 0 40 FEAB CCOc1ccccc1-c1ccccc1NC(=O)c1cc(=O)n(C)c(=O)[nH]1 19714464 ZHXJKSXYQKHXOJ-UHFFFAOYSA-N 365.389 2.392 0 40 FEAB Cc1nc(N2CCCCC2)ncc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 19714784 BTNCUCDORIMXSB-ZDUSSCGKSA-N 370.501 2.487 0 40 FEAB Cc1nc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cn1C 575613719 SLDPOJQUTBQJOS-GFCCVEGCSA-N 370.862 2.009 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 4307947 UWBDHJNEVMSAGG-SFHVURJKSA-N 361.398 2.101 0 40 FEAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(F)cccc1F 6085383 CWRBNHAVYGSBBP-UHFFFAOYSA-N 374.434 2.353 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnc4n3CCCCC4)cc2N1 6098424 VNJSSJQJADDAFK-UHFFFAOYSA-N 358.423 2.310 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909098 VDIIZYFVQGTHSQ-FQEVSTJZSA-N 357.454 2.268 0 40 FEAB CCCCN1C(=O)N[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O 2503882 URZDOAJZYHLFQA-AWEZNQCLSA-N 361.295 2.166 0 40 FEAB CC(C)CCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2975289 NXNBBSLGSQVNSB-UHFFFAOYSA-N 363.439 2.340 0 40 FEAB O=C(NCc1cccs1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374504 JALFOEMESRKDKN-GFCCVEGCSA-N 373.434 2.124 0 40 FEAB COc1ccc(CCC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954612 JTYLSSZRXCEPSO-UHFFFAOYSA-N 367.405 2.261 0 40 FEAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccon3)ccc21 11612996 GFXZCJPFAZZVCV-UHFFFAOYSA-N 356.426 2.135 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)cn1 2055731591 ICSPRWBLCJDIDP-GOSISDBHSA-N 371.481 2.420 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)CCC1 2055795803 ANIPRKJFWDTCSV-UHFFFAOYSA-N 371.481 2.382 0 40 FEAB O=C(c1ccccn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751089 HFAHVUWAHORIFV-UHFFFAOYSA-N 364.449 2.401 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)cc1 22682935 OIOHCMCYBCUDSL-UHFFFAOYSA-N 357.435 2.493 0 40 FEAB O=C(Nc1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23135136 LLEPUHOKNAUQIB-UHFFFAOYSA-N 369.454 2.074 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccco2)cc1 206866115 ZBIIDJNIQMAGCM-CQSZACIVSA-N 354.384 2.124 0 40 FEAB C[C@@H](O)c1ccc(CCNS(=O)(=O)c2cccc3nsnc23)s1 225689491 STXKSJBMOSWZKX-SECBINFHSA-N 369.493 2.327 0 40 FEAB Cc1c(-c2cncn2CCN[C@H]2CCS(=O)(=O)C2)[nH]c2ccccc12 19719639 UUQBJSSAAFERBD-AWEZNQCLSA-N 358.467 2.117 0 40 FEAB CCN(CC)Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)o1 40092300 ILYNFROVPKFIDX-UHFFFAOYSA-N 372.469 2.283 0 40 FEAB O=C(c1ccccc1F)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 40050151 FXZKBDSJVFJXRP-UHFFFAOYSA-N 352.369 2.300 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCO3)C1 40132896 LHQOCLUHYIMAFW-AWEZNQCLSA-N 352.456 2.012 0 40 FEAB CCOc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 20375768 ILLVYQDLGOSIMH-UHFFFAOYSA-N 370.453 2.250 0 40 FEAB O=C(CC1CCCCC1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 20727717 KRRZUFPGLLNYMH-QGZVFWFLSA-N 371.481 2.242 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1C 32598878 VMOMIVZSUCFUTC-UHFFFAOYSA-N 359.407 2.160 0 40 FEAB O=C(CCNC(=O)NC1CCCCC1)NCCc1cn2ccccc2n1 32614132 LHWMGBOAVFXZRE-UHFFFAOYSA-N 357.458 2.015 0 40 FEAB C[C@H](OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N(C)c1ccccc1 32928536 VUSCGNNQIVMXSQ-HNNXBMFYSA-N 368.437 2.288 0 40 FEAB CC[C@@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 625665 BTPDNNXNQCAUTM-GFCCVEGCSA-N 358.467 2.373 0 40 FEAB CCOC(=O)c1cc2c([nH]c3ccccc32)c(/C=C2\NC(=S)NC2=O)n1 104028382 LOFDVEYFMXHLNT-JYRVWZFOSA-N 366.402 2.238 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1)C1CC1 23801054 ISKWPINDOLVZDZ-UHFFFAOYSA-N 364.449 2.388 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccccc2Br)CC1 24243325 MMBUEHFRCZPEFE-ZDUSSCGKSA-N 366.303 2.234 0 40 FEAB CCOc1ccccc1[C@H](CC(=O)N1CC[C@H](N2CCCC2)C1)NC(C)=O 77326864 VDPYNITTXFIBHT-HKUYNNGSSA-N 373.497 2.349 0 40 FEAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1CCCO1 2778599 LZNFDTKKZQEAQH-BQBZGAKWSA-N 370.169 2.499 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)O[C@@H](C(=O)N(C)C)c1ccccc1 25217653 PMAWFMQOWVXOFZ-LJQANCHMSA-N 368.433 2.488 0 40 FEAB CC(C)N(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(C)C 4250260 SUKMRBRTKDMETO-UHFFFAOYSA-N 359.426 2.044 0 40 FEAB O=C(NCc1cccc(F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 84372506 YPTYHCISCAXYAV-ZDUSSCGKSA-N 356.353 2.224 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082562 UKPDNAJAMSQXGW-CNGUFQHNSA-N 350.418 2.295 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)OCc3ccc(Cl)nc3)ccc21 26626686 LAPRVTWJHBIZLJ-UHFFFAOYSA-N 366.826 2.414 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1C 10301390 MNEVAYSNIROELQ-UHFFFAOYSA-N 368.499 2.417 0 40 FEAB CCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10078764 LKVJMLYRCYWXPK-ZDUSSCGKSA-N 357.451 2.030 0 40 FEAB O=C(CNC(=O)c1ccoc1)NCc1ccnc(OC2CCCCC2)c1 58228576 JXLHEONZAXGPRC-UHFFFAOYSA-N 357.410 2.432 0 40 FEAB Cc1nc(CSCCC(=O)N(C)Cc2nnc3n2CCC3)cs1 58297287 BDHMVZBIVCQWFP-UHFFFAOYSA-N 351.501 2.271 0 40 FEAB O=C1NN(c2cccc(C(=O)N3CCCCC3)c2)C(=O)[C@@H]2CC=CC[C@H]12 58290998 AZBDKFPQAZPSSQ-DLBZAZTESA-N 353.422 2.273 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21)n1cccn1 58377869 NETOLLUJXMWORX-MAUKXSAKSA-N 354.454 2.439 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@H]2COc3ccc(Cl)cc3C2)n(C)n1 11395492 ADKBYMUCXUCEPV-GFCCVEGCSA-N 363.801 2.115 0 40 FEAB Cc1cc(F)ccc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12774215 VQCUVTVMMCOYQF-UHFFFAOYSA-N 361.398 2.201 0 40 FEAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(CCC)C(C)=C1C(=O)OC 12419574 BYTISRNPSSDRQT-HNNXBMFYSA-N 364.364 2.293 0 40 FEAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 100690645 VKJFSKWYIOSLST-AKHDSKFASA-N 371.396 2.284 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)Cc1ccccc1 12777414 SXMUCRLBPWFFEE-UHFFFAOYSA-N 374.462 2.086 0 40 FEAB COc1ccccc1OCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 48236058 OGXCZTDTZWDCNX-UHFFFAOYSA-N 372.406 2.263 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 12946514 PZZQNEWHXNCUTJ-UHFFFAOYSA-N 368.437 2.275 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1C 9316955 INOXZZFEVDFVDW-UHFFFAOYSA-N 359.451 2.494 0 40 FEAB Cc1nc2nc3ccn(CCCN(C)C)c(=O)c3c(-c3ccccc3)n2n1 38828670 JCYIMKLDRDAFGZ-UHFFFAOYSA-N 362.437 2.366 0 40 FEAB CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O 13815167 RLCLZHXXRBWMHL-UHFFFAOYSA-N 359.817 2.030 0 40 FEAB CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6313418 DPXKGIROERCUNZ-UHFFFAOYSA-N 353.728 2.145 0 40 FEAB Cc1cc(C)cc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)c1 306131567 KITAMLQVUAUCKQ-IRXDYDNUSA-N 365.481 2.091 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 6581406 CZHXRYKOFNSDIN-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB CCCCn1nnnc1COC(=O)c1ccc(CNC(=O)NC(C)C)cc1 5562385 KHKHFNWGBCSBPP-UHFFFAOYSA-N 374.445 2.038 0 40 FEAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(C)=O)c2ccccc21 4987808 HYOSRYBJOFYBCE-HXUWFJFHSA-N 355.390 2.288 0 40 FEAB Cc1ccccc1OCCOC(=O)c1cc(S(N)(=O)=O)ccc1F 6914740 MTQVFMAIKKDHIB-UHFFFAOYSA-N 353.371 2.017 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)nc1 83895808 RXTTZRAEMKODPM-UHFFFAOYSA-N 372.396 2.486 0 40 FEAB C[C@@H](Sc1nccn1C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 15703629 DRPUCYRFFAJGAJ-SNVBAGLBSA-N 362.411 2.020 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2cc(Br)ccc2C)n1 7416716 LPCDEVDHGMLBKQ-UHFFFAOYSA-N 371.260 2.470 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1 7982437 WRKAHYXEVBXGOJ-LBPRGKRZSA-N 371.393 2.170 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(F)cc(F)c1 9898773 YDNXXLBAXFAQOE-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB Cc1cc(C)nc(SCC(=O)OCC(=O)N2CCc3ccccc3C2)n1 84114652 YYGNNJGZUCQKPN-UHFFFAOYSA-N 371.462 2.314 0 40 FEAB O=C(COc1ccc(Br)cc1)N1CCC(C2OCCO2)CC1 69198880 XNSXSTLQFSRNSM-UHFFFAOYSA-N 370.243 2.439 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2CN(C)C)c1 9917393 XMYGGRLOPAOBOG-UHFFFAOYSA-N 353.466 2.411 0 40 FEAB CCOc1ccccc1OCCN1CCN(c2nccc(OC)n2)CC1 75717493 KDDKNKDNIIFKSY-UHFFFAOYSA-N 358.442 2.085 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409374923 BRBISIWUVKSVML-CABCVRRESA-N 368.499 2.319 0 40 FEAB CN(C)Cc1cnn2c1CN(C(=O)[C@@H]1COCC[C@@H]1c1ccccc1)CC2 1552257933 PENUZSFRONDNFG-RTBURBONSA-N 368.481 2.107 0 40 FEAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(CC(=O)O)C3)nc(C)n2)n1 72363513 ZRQWXLUJQKDMKP-AWEZNQCLSA-N 356.430 2.199 0 40 FEAB Cc1cc(C)n2nc(CC(=O)Nc3nc(-c4ccccn4)cs3)nc2n1 48276049 CZSITOYDOMRECJ-UHFFFAOYSA-N 365.422 2.441 0 40 FEAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223049503 PRBZVDAKKXHARL-IBGZPJMESA-N 354.450 2.145 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2Cl)CC1 98086730 SNAXCDMJMUKFAP-UHFFFAOYSA-N 362.817 2.440 0 40 FEAB C[C@H]1CN(S(=O)(=O)CC2CC(F)(F)C2)C[C@]2(CCO[C@H](C)C2)O1 578293628 DDKUQTZKCSHBBF-MBNYWOFBSA-N 353.431 2.020 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)c1 96259537 UKTFXAIYBUJJCC-UHFFFAOYSA-N 350.426 2.186 0 40 FEAB CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 249680485 ALKFUBDKEXSQQR-FCBIJRMHSA-N 354.450 2.211 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3cncnc3)C2)cn1 257332942 XZKNLBXPRNWKKF-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257279393 OGJARLZJPYXNPL-IBGZPJMESA-N 358.442 2.215 0 40 FEAB CC(=O)Nc1nc(C)c(-c2cncc(C[C@@H]3CCN(C(C)=O)C3)n2)s1 257295931 RAMQBRAMNBNLLG-ZDUSSCGKSA-N 359.455 2.278 0 40 FEAB C[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 253594165 QKHKWMJAMUKHBI-HBUWYVDXSA-N 352.500 2.163 0 40 FEAB O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCOCC2(CCCC2)C1 681283588 WAKWSUNBRWQZLN-UHFFFAOYSA-N 361.467 2.454 0 40 FEAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C(=O)O)cn1 642207569 WFUAHMYTCVEFJX-CQSZACIVSA-N 356.378 2.472 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCC[C@@H](O)CC1 297263778 KECDHUBPVWJIJT-IUODEOHRSA-N 369.824 2.141 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 585112375 OMGRJWNEZJFGEL-HNNXBMFYSA-N 374.514 2.400 0 40 FEAB CCCNC(=O)C1=NO[C@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101067 AUYZTTWCGZFPKN-OAHLLOKOSA-N 373.379 2.066 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC[C@H]1OC 585276843 RODCHVCMPGIDLJ-CRAIPNDOSA-N 357.454 2.398 0 40 FEAB CCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2Cl)CC1 57142267 GIVBHTVAPLFKRS-UHFFFAOYSA-N 372.864 2.448 0 40 FEAB COc1cc2c(c(OC)c1OC)CCN(C(=O)c1cnnc(C)c1)CC2 682424924 RXHDVSWIOHTCGL-UHFFFAOYSA-N 357.410 2.052 0 40 FEAB CN(Cc1ccnc(N(C)C)n1)C(=O)Nc1cccc(N2CCOCC2)c1 95460898 OIMDVDHNGNIOBO-UHFFFAOYSA-N 370.457 2.043 0 40 FEAB COCC(=O)N1CCCN(Cc2ccccn2)CCNCc2ccccc21 1615122462 DIFXDDUQLYBCOS-UHFFFAOYSA-N 368.481 2.057 0 40 FEAB Cc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3sccc3n12 5108763 FRPSSAZOXOFSGF-UHFFFAOYSA-N 358.448 2.397 0 40 FEAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 12916417 VAQHRYVHFZANHS-ZDUSSCGKSA-N 357.410 2.408 0 40 FEAB CCCc1nn2c(=O)cc(COC(=O)c3ccccc3OC)nc2s1 15734270 JDHQILBQSYDVDM-UHFFFAOYSA-N 359.407 2.469 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)c(F)c2)CC3)cn1 19239070 YHTGQSVQEKPOAK-UHFFFAOYSA-N 369.375 2.372 0 40 FEAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)s1 19560867 VVJBJYGHNYUNEJ-LBPRGKRZSA-N 373.482 2.016 0 40 FEAB COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2 31829997 YUIGSRGRYOBFRF-PMACEKPBSA-N 355.390 2.102 0 40 FEAB biogenic,in-vitro CCc1ccc(Nc2nnc(SCC(=O)NC(=O)NC)s2)cc1 3461317 KQPPKAJVHBLABY-UHFFFAOYSA-N 351.457 2.392 0 40 FEAB O=C(NC1=NCCS1)c1nn(-c2ccccc2C(F)(F)F)cc1O 6561339 YEKWMUMKNAIFQN-UHFFFAOYSA-N 356.329 2.429 0 40 FEAB O=C(CC1(O)CCC1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542550 NDKDWKBZAQEUME-UYAOXDASSA-N 374.481 2.301 0 40 FEAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1Cc1ccccc1Cl 4569889 LQGASWHGONXMKT-UHFFFAOYSA-N 370.792 2.472 0 40 FEAB O=C(Cc1cccs1)Nc1ccc(SCC(=O)N2CCCC2)nn1 11792376 HMQNBBYPYSWUKB-UHFFFAOYSA-N 362.480 2.434 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908115 FYULQJMCQQFWLD-QGZVFWFLSA-N 371.506 2.488 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCc1nccnc1-c1cccnc1 575620162 QLNHYLIGNXUASH-UHFFFAOYSA-N 358.398 2.465 0 40 FEAB Cc1cc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)n2nc(C)cc2n1 585604087 XXCRJABKQXHTHX-UHFFFAOYSA-N 366.469 2.337 0 40 FEAB O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1ccccc1Cl 575619319 CZXYPYYAPVGNTL-ZDUSSCGKSA-N 361.872 2.430 0 40 FEAB COc1cc(N[C@@H]2CC(=O)N(CCC(C)C)C2=O)ccc1N1CCCC1=O 32771826 REUGLHIOMSRBIF-OAHLLOKOSA-N 373.453 2.408 0 40 FEAB O=C(NCCSCc1ccccc1F)c1cccc(-n2cnnn2)c1 32736759 FFNGWLXRAOKSHT-UHFFFAOYSA-N 357.414 2.465 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)on1 53089663 NQZQLQDAIXFGCX-UHFFFAOYSA-N 370.240 2.446 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@H]2CCCO2)cc1 53436433 YPWNYQILRKLSNY-GDBMZVCRSA-N 368.499 2.405 0 40 FEAB O=C(/C=C/c1cccs1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268558 AQZZOTNCJJAVMK-ZZXKWVIFSA-N 351.405 2.038 0 40 FEAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C[C@H](C)O1 23749287 HKIZKHOPMAHOCB-GJZGRUSLSA-N 359.470 2.407 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)c1 24345609 UHVLWJKCVPYTDU-UHFFFAOYSA-N 360.343 2.347 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 11215672 WKTHWUQNZJTRAN-BLLLJJGKSA-N 353.440 2.432 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1 796712 GWWWPBOXGGRIGX-CYBMUJFWSA-N 354.472 2.011 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(OC)cc2)c1 945330 WCAPUHDKAZRLRC-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 3461086 XRVNNNJMMFPRIK-GOSISDBHSA-N 368.418 2.032 0 40 FEAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(Cc4ccccc4)C3=O)nnc2n1 20745679 WWPAZVOAAVDSGZ-AWEZNQCLSA-N 367.434 2.161 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 8263611 BRJAENGWJVWDHT-INIZCTEOSA-N 370.236 2.330 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 41114874 AMNAAGHXAWVBAU-UHFFFAOYSA-N 363.420 2.132 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCc3ccccc32)cc1 32850802 SOVMUPJBMQGARH-KSSFIOAISA-N 358.463 2.466 0 40 FEAB Cc1cc([C@@H]2CCCN2CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)on1 32932613 HCBIOUFJKYBQSC-ZDUSSCGKSA-N 369.377 2.078 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 12095442 WSFOESGSTXAHBG-UHFFFAOYSA-N 366.391 2.358 0 40 FEAB NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 783809 RLOLCEAPHPNYGP-JOCHJYFZSA-N 374.396 2.132 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccncc1 22621814 SYYZOZLBWSVNJI-UKRRQHHQSA-N 367.405 2.083 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NC(=O)c2ccc(C)c(OC)c2)c1 42297698 PIXZKGMBACEIPY-UHFFFAOYSA-N 365.407 2.140 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1/C=C\c1ccccc1OC 102862310 NYGQOPKTDQIOAU-QIAWRQBBSA-N 362.451 2.018 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374067 YBYWASJPHZXMKH-AWEZNQCLSA-N 367.453 2.403 0 40 FEAB Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)n1 26128012 BQPCMTYOESGKDC-UHFFFAOYSA-N 350.429 2.056 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@@H]1CCN(CC(F)(F)F)C1 106866253 OHEDAROLBGOULJ-JXDCTMMDSA-N 360.420 2.461 0 40 FEAB C[C@H](OC(=O)c1ccc(N2CCCC2)nn1)C(=O)NCC1CCCCC1 58246645 QGVRTYCQIAYQGO-AWEZNQCLSA-N 360.458 2.319 0 40 FEAB Cc1cccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 10833709 BWWZVXRYAOVORX-MRXNPFEDSA-N 362.451 2.216 0 40 FEAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12786433 WZEFOGIDMKPDEV-QGZVFWFLSA-N 359.451 2.436 0 40 FEAB CCOC(=O)N1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1 13061174 CHGFDQVPSGWWSO-UHFFFAOYSA-N 374.268 2.384 0 40 FEAB COc1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1OC 48877828 KEWQKNITRGOCQH-UHFFFAOYSA-N 361.423 2.497 0 40 FEAB O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)c2nonc12 13326715 XOXIQTLNFOQKSO-UHFFFAOYSA-N 356.357 2.380 0 40 FEAB COc1ccc(OC)c([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 4247976 LPHRHKLZIKMPPA-AWEZNQCLSA-N 350.396 2.408 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)OCCOc1ccccc1F 49862580 KNGZINHJLRGIRX-UHFFFAOYSA-N 367.398 2.116 0 40 FEAB COc1cc(=O)c(C(=O)NCc2ccccc2)nn1-c1ccc(F)c(F)c1 65197978 FHHNFKFJFJEEOI-UHFFFAOYSA-N 371.343 2.449 0 40 FEAB COc1ccc(-c2cc(=O)c3c(=O)n(-c4nc(C)cc(C)n4)[nH]c3[nH]2)cc1 18029761 BOBBSGBYSRAAPD-UHFFFAOYSA-N 363.377 2.090 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 5315122 SFLUCHRIQHDTFF-UHFFFAOYSA-N 363.483 2.298 0 40 FEAB O=C(COC(=O)Cc1ccsc1)Nc1ccccc1C(=O)NC1CC1 6424103 IJZYKMIGEAFZBL-UHFFFAOYSA-N 358.419 2.365 0 40 FEAB COc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14159889 HLZVOSCRIUPEOF-LBPRGKRZSA-N 372.446 2.395 0 40 FEAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1cccnc1 5427751 SAAQZTRIRXLZRP-OAQYLSRUSA-N 365.433 2.332 0 40 FEAB COc1ccc(NC(=O)[C@@H](Cc2cccc(C)c2)c2nn[nH]n2)cc1OC 6860329 OOGFVGFKZODDFF-HNNXBMFYSA-N 367.409 2.490 0 40 FEAB O=C(COc1cccc(Oc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 4948354 PGWSBEAJTQPEGF-AWEZNQCLSA-N 361.419 2.161 0 40 FEAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8122921 LRXYMRKLXBOHLQ-UHFFFAOYSA-N 367.380 2.145 0 40 FEAB Cn1nc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1=O 9513774 XGYGINXHHHIFAB-UHFFFAOYSA-N 354.391 2.091 0 40 FEAB COC(=O)C1(NC(=O)CN2[C@@H](C)COC[C@H]2c2ccccc2)CCCCC1 95452649 DPEHMGDLFJKVSG-WMZOPIPTSA-N 374.481 2.441 0 40 FEAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 89314023 HVHGFHYKPUJSLH-HUUCEWRRSA-N 363.527 2.470 0 40 FEAB O=C(c1ccoc1)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306132684 LPGHILACWZDYDA-FQEVSTJZSA-N 362.389 2.086 0 40 FEAB COc1cc(C2=N/C(=C/c3ccc(O)cc3O)C(=O)O2)cc(OC)c1OC 408842984 LALKCOFIMKGKKG-AWNIVKPZSA-N 371.345 2.468 0 40 FEAB Cc1c(NCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cccc1C(=O)NCCO 177242614 RKLIHABNLHDAIA-LPHOPBHVSA-N 373.497 2.310 0 40 FEAB CC1CCN(C(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)CC1 36080476 XMCIREDXTQOFMJ-UHFFFAOYSA-N 364.467 2.261 0 40 FEAB COCc1ccccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 549544205 BLHNYBKPSDHKKC-KRWDZBQOSA-N 351.468 2.413 0 40 FEAB CCOC(=O)CCn1nc(-c2cnn(C)c2)c(Cl)c1-c1cnn(C)c1 36611643 DCJXDKQMLQEGLD-UHFFFAOYSA-N 362.821 2.291 0 40 FEAB Cc1noc(C)c1Cn1nc2n(c1=O)C(=O)N(c1cccc(Cl)c1)C2 1547201007 HJLUWHAQUDDQTJ-UHFFFAOYSA-N 359.773 2.340 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1Cl 71980269 KPMKXFSLKAQEMC-OAHLLOKOSA-N 366.845 2.468 0 40 FEAB CC(C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217654079 IQXGMTQHGPYBIB-ZDUSSCGKSA-N 370.471 2.300 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1F 42158715 OKZOYNMSZSNVEZ-UHFFFAOYSA-N 363.370 2.363 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47363128 MTFFWCYILQAGIU-CQSZACIVSA-N 374.462 2.439 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccco1 224211612 CZCKCTLCWALSIF-INIZCTEOSA-N 366.439 2.149 0 40 FEAB O=C(c1cc2n(n1)CCCO2)N1CCN(C/C=C/c2ccccc2)CC1 85555242 FXIAIFZQOGQIJU-XBXARRHUSA-N 352.438 2.137 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107714 CPPPREGWDKHVNJ-QRWLVFNGSA-N 359.422 2.258 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@H](N2CCCC2)CO3)cc1 96158659 VTTIVZPBSWBRBS-SFHVURJKSA-N 358.482 2.484 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(Cc3ccccn3)C2)C1 96226118 JBROQOXRWQAPOZ-LJQANCHMSA-N 351.410 2.145 0 40 FEAB O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(Cc3ccoc3)C2)C1 96226065 PVYBDQZCTROCHV-IBGZPJMESA-N 357.385 2.456 0 40 FEAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCc4cccs4)O[C@@H]3C2)nn1 96042798 NKKMWWANCXEZCZ-NUEKZKHPSA-N 358.467 2.147 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)cs1 257279581 OHHNGKCVZBBCNU-LLVKDONJSA-N 356.455 2.254 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](Cc3cncc(-c4nccn4C)n3)C2)cn1 257274647 NLYWIDNWUZLKHB-OAHLLOKOSA-N 362.437 2.285 0 40 FEAB COc1cc2c(cc1F)CN(Cc1cn(Cc3cccnc3)nn1)CC2 542484001 NNGPEXHEGIJASJ-UHFFFAOYSA-N 353.401 2.427 0 40 FEAB CC(=O)N[C@@]12CCN(C(=O)c3ccccc3-c3ccccc3)C[C@@H]1CNC2 257239141 HOCZWAMRZKTJMD-PGRDOPGGSA-N 363.461 2.294 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1cscn1)C[C@H]2c1ccccc1 257243491 IHGGTNPUUIBABY-NMLBUPMWSA-N 371.506 2.340 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCCc1ccncc1 257248713 JEWKBBMWMLDDIR-GOSISDBHSA-N 354.454 2.363 0 40 FEAB C[S@@](=O)c1cccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 613704325 FFKWRKFPILXFQK-XMMPIXPASA-N 363.870 2.435 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1 676457172 VGSMKCSYOTZJMQ-IPMKNSEASA-N 370.474 2.395 0 40 FEAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(c4ncc(Cl)cn4)C[C@H]32)CC1 1615589266 GOPUFDDAHDSOAE-CABCVRRESA-N 365.865 2.012 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cn(C)c3ccccc13)[C@@H](C)C2 585097695 MRPFMXNNGKVFRE-ZDUSSCGKSA-N 353.426 2.003 0 40 FEAB Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 65608119 QLNDXJLIGBNQFB-ROUUACIJSA-N 359.470 2.072 0 40 FEAB COCC1=CCN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)CC1 644436096 CEDUGDUGIMCNEK-OAQYLSRUSA-N 358.482 2.209 0 40 FEAB CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595087 VMCCYYJKTHMNCQ-KZNAEPCWSA-N 366.452 2.416 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000143 UAMVSZPMYXPWNS-QZTJIDSGSA-N 371.412 2.152 0 40 FEAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)Cc2nonc2C)c1 12408034 KCEOYCYUDAUBKF-GLJUWKHASA-N 357.410 2.388 0 40 FEAB CC(=O)N[C@H](CSCC(=O)c1ccc(Cl)cc1Cl)C(=O)O 16320988 GAPBTADLWKVXOM-LLVKDONJSA-N 350.223 2.499 0 40 FEAB Cc1nc2ccccc2c2nn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)n12 19286631 ONHHFKPCZIQBOL-CHWSQXEVSA-N 353.426 2.142 0 40 FEAB O=C(CCn1cncn1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19374525 KBSLPZIYQCOFKV-UHFFFAOYSA-N 362.437 2.402 0 40 FEAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)c3ccn(C)n3)CC1)OCC2 19454231 VXALWBGKWJLWII-UHFFFAOYSA-N 355.442 2.038 0 40 FEAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 19497971 ZZNPZZLZZYARCZ-ACJLOTCBSA-N 364.449 2.423 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2F)CC1 19658740 LSJGWMPNBWLCRK-UHFFFAOYSA-N 353.419 2.398 0 40 FEAB CCOc1ccc([C@@H](C)NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 19747439 PLSMXRRBYFELQC-OAHLLOKOSA-N 373.497 2.063 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 19797394 BXAOJOHHLXHYBU-ZDUSSCGKSA-N 370.430 2.345 0 40 FEAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC#N)C1=O 6326313 OGVBLEIDNWTDIB-DHDCSXOGSA-N 373.434 2.397 0 40 FEAB COC1(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCSCC1 252527794 DJJKSPPECNSPRG-UHFFFAOYSA-N 373.496 2.038 0 40 FEAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](Oc2ccncc2Cl)C1 575608503 YRKHRJNZGNECRR-VIFPVBQESA-N 358.769 2.470 0 40 FEAB Cc1nnc2c(N3CC(Oc4ccnc(C(F)(F)F)c4)C3)nccn12 1888869397 HEOLLXSFAGQILH-UHFFFAOYSA-N 350.304 2.114 0 40 FEAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3)c2=O)c1 2973281 BUMOVXLVKMXKJZ-UHFFFAOYSA-N 371.780 2.440 0 40 FEAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccccn1)CSC2 5381119 CIURLHOZNGSHNU-UHFFFAOYSA-N 359.455 2.035 0 40 FEAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccco1 6476555 DVPRHCUYSFRLKA-CQSZACIVSA-N 368.418 2.044 0 40 FEAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccco1 6476553 DVPRHCUYSFRLKA-AWEZNQCLSA-N 368.418 2.044 0 40 FEAB Cc1ccccc1Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9001146 WFUNEZONHMIWMV-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12441558 QVVCRFQYYABGKW-SFHVURJKSA-N 360.435 2.407 0 40 FEAB COC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(OC)cc3)on2)CC1 12866186 BGAYGFKJZBWEAW-UHFFFAOYSA-N 358.394 2.304 0 40 FEAB CSc1cccc2sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 16975419 MGXLKZZIRZGZLC-SECBINFHSA-N 371.509 2.381 0 40 FEAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2ccc(F)c(F)c2)CC3)C1 2055730105 AXDIGGZJHKEYFH-UONOGXRCSA-N 363.408 2.167 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccnc(F)c2)C1 2055751440 YIZYINSRVQLXMB-HXUWFJFHSA-N 370.428 2.396 0 40 FEAB COc1cnc(O[C@H]2CCN(c3cc(C(F)(F)F)nc(C)n3)C2)nc1 2086884436 TUXWRQJQYSEKBC-JTQLQIEISA-N 355.320 2.260 0 40 FEAB CN([C@H]1CCCN(c2ccc(Br)cn2)C1)S(=O)(=O)C1CC1 2086865100 JYLAOCSLMSGSBN-LBPRGKRZSA-N 374.304 2.237 0 40 FEAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncccc1=O 38510268 IPVULUFHBXOQTH-UHFFFAOYSA-N 358.785 2.290 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(C(N)=O)cc1 14034089 ULAVGGSGDQQAGV-CYBMUJFWSA-N 372.450 2.141 0 40 FEAB COc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)c1 40309588 TUKRZMBMIUIOOO-LJQANCHMSA-N 351.362 2.475 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccco2)cc1 36620197 WONRUQBVISHHPF-KRWDZBQOSA-N 362.451 2.400 0 40 FEAB O=C1NCCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1 50633481 LJUSYJDQTFOFFH-AWEZNQCLSA-N 371.264 2.436 0 40 FEAB O=C(NCc1ccccc1F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6260556 KMFFASZDLYHBOF-CQSZACIVSA-N 370.380 2.266 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 8325846 YXRVGKWTTGQDPO-CQSZACIVSA-N 354.472 2.155 0 40 FEAB C[C@@]12CC3CC(CC(=O)N4CCN(S(C)(=O)=O)CC4)(C1)C[C@@](C)(C3)C2 103404833 DQNIPTCSZPUNFK-FTJRRQOFSA-N 368.543 2.477 0 40 FEAB CCS(=O)(=O)N1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1 32778525 FJVQALBKUMDUIK-UHFFFAOYSA-N 353.469 2.046 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 32814498 DEDRMCLEEYZONG-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1 32972145 SRZOAQOUBREBAU-LJQANCHMSA-N 367.449 2.368 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)Cn2ccc(C(F)(F)F)n2)c1C 15534607 QIMBLAGKGIARSN-UHFFFAOYSA-N 354.332 2.274 0 40 FEAB Cc1sc2ncnc(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)c2c1C 22195917 BHKREOBBNVABKN-LBPRGKRZSA-N 359.499 2.097 0 40 FEAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 811637 LEMVXFLDSISVNM-MRXNPFEDSA-N 362.382 2.281 0 40 FEAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1 42476635 YXODKSMLCQRUJI-KRWDZBQOSA-N 357.410 2.269 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCc2c1cnn2C 47490297 ZZBXUVMLMSXZGA-ABAIWWIYSA-N 360.845 2.386 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 1298473 DXRTYDJLMIPUNP-UHFFFAOYSA-N 374.871 2.391 0 40 FEAB O=S(=O)(Cc1ccccc1)NCc1nnc2ccc(C(F)(F)F)cn12 25767546 KOXXUYBYWIZGEF-UHFFFAOYSA-N 370.356 2.368 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)Nc2ccccc2-n2cccn2)no1 57075310 JAGPBBKERBFNLP-UHFFFAOYSA-N 371.422 2.479 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 35349181 YSRDVMCSNAPEHT-UHFFFAOYSA-N 360.391 2.078 0 40 FEAB Cc1noc([C@H](NCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)C(C)C)n1 108166425 ORBOXIBUZKMODG-OSAQELSMSA-N 351.451 2.069 0 40 FEAB COc1ccc(CC[C@H](C)NC(=O)c2sccc2-n2cnnn2)cc1 58179174 ZGNZCHBZOXKBJB-LBPRGKRZSA-N 357.439 2.484 0 40 FEAB Cc1ccc([C@@H](CNC(=O)C2CCN(c3ncccn3)CC2)N(C)C)cc1 58251058 KSAVMDIBOUEUGG-LJQANCHMSA-N 367.497 2.421 0 40 FEAB Cc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1NS(C)(=O)=O 58248999 VTAJCQMMAZYDED-HNNXBMFYSA-N 367.515 2.217 0 40 FEAB O=C(COC(=O)Cc1ccc(Br)cc1)NCC(F)(F)F 3329955 QAGQVGRAKRISDN-UHFFFAOYSA-N 354.122 2.213 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)CC[C@@H]3CCCO3)c(C)c12 58330148 MIJBROKKLAMDAE-WFASDCNBSA-N 374.485 2.275 0 40 FEAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(OC)cc2)OC(N(C)C)=N1 2275773 JXDGRZHTOMWMDR-HNNXBMFYSA-N 373.331 2.211 0 40 FEAB COc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc3cc(C)cnc23)c1 12764544 LDUPVKGAIYBFQE-UHFFFAOYSA-N 372.402 2.418 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 48354823 QNSLRTQSJFCXSV-QGZVFWFLSA-N 353.466 2.076 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O 3486528 DORSXDXPEYKSTP-UHFFFAOYSA-N 370.409 2.332 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC3CCCCC3)C2=O)cc1 3461636 AYDILMVVZBCLFN-HXUWFJFHSA-N 357.454 2.459 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3460288 DIQIFBXGSCXDIM-LJQANCHMSA-N 353.378 2.101 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 3595267 MGWMKTCBEVYXCG-KRWDZBQOSA-N 351.834 2.413 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)c(OC)c1 6170750 GKQCPRVRYQQNGW-MRXNPFEDSA-N 372.421 2.287 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 6508431 WHBBMMOYJQTWKW-UHFFFAOYSA-N 360.313 2.485 0 40 FEAB CN1CCN(c2nnc(SCC(=O)Nc3cccc(F)c3)s2)CC1 23139704 UYRXNOFHUIVXBM-UHFFFAOYSA-N 367.475 2.160 0 40 FEAB CC(C)NC(=O)CNC(=O)COc1ccccc1C1SCCS1 8167989 CTTRKJLZKHMJQC-UHFFFAOYSA-N 354.497 2.185 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 4914418 JGXYECWYASNHNF-UHFFFAOYSA-N 361.423 2.077 0 40 FEAB CNC(=O)COc1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 70026630 FSFOOJOPXMNFBS-UHFFFAOYSA-N 363.364 2.454 0 40 FEAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc(F)ccc1F 7057266 AMANXDLKSNBPBP-VIFPVBQESA-N 373.315 2.385 0 40 FEAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@H]1COc2ccccc2O1 7007719 AZHQYYBSHXMDCE-ZDUSSCGKSA-N 374.824 2.416 0 40 FEAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1c(O)cc(F)cc1F 84522470 UVZLEABZHMFFFA-INIZCTEOSA-N 362.376 2.474 0 40 FEAB CN(C)c1nccc(CN(C)S(=O)(=O)c2cccc(Cl)c2F)n1 95460043 LMUICMBZNWPBRX-UHFFFAOYSA-N 358.826 2.156 0 40 FEAB CCC[C@H](NC(=O)[C@H]1OCC[C@H]1C)C(=O)N1CCc2sccc2C1 84739952 HZUAZVRXQJSZJB-INWMFGNUSA-N 350.484 2.343 0 40 FEAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707403 AGZJWARFLRICIO-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218588474 LFLHUJWIIGKJIL-XEZPLFJOSA-N 374.890 2.073 0 40 FEAB CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@H]1c1ccccc1 39582941 FIMGIZDQFANTEN-HNNXBMFYSA-N 370.434 2.440 0 40 FEAB CC[C@H](C(=O)N1[C@H](C(=O)O)COC12CCN(CC)CC2)c1ccccc1 71980165 ULUQYEAOMQILMU-IRXDYDNUSA-N 360.454 2.304 0 40 FEAB COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O 42979805 CSBNARACKKPFQO-LJQANCHMSA-N 361.442 2.010 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCCC[C@H]2C)n1 72339978 QZGWPLATJPAEFT-DOMZBBRYSA-N 357.458 2.223 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2 40386765 ZRRVWNLHEMHXOD-MRVPVSSYSA-N 354.197 2.490 0 40 FEAB COc1ccc(OC)c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 42646643 PRNJJHHVTKYCRW-UHFFFAOYSA-N 363.458 2.068 0 40 FEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H](C)C2)c1=O 44840473 ZZMFOJGRFMNWIB-GJZGRUSLSA-N 357.454 2.393 0 40 FEAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2=O 571754649 STCWNTSZRIBWQF-GDBMZVCRSA-N 350.440 2.293 0 40 FEAB c1ccc([Sn](c2ccccc2)c2ccccc2)cc1 195794760 SBXWFLISHPUINY-UHFFFAOYSA-N 350.029 2.203 0 40 FEAB in-vitro Cc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 95000183 KUWUBOBYRQJOPW-JKSUJKDBSA-N 370.902 2.119 0 40 FEAB O=C(Nc1cccnc1)c1nc2c(s1)CCN(c1ncccn1)CC2 96146931 JEMYCYIARPIEFY-UHFFFAOYSA-N 352.423 2.186 0 40 FEAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1 96042854 KMHIWVDOPTXAJQ-NUEKZKHPSA-N 358.467 2.465 0 40 FEAB COc1cccc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4=O)CCO3)C2)c1 96218663 IQPOLKRFRPDRCM-OXQOHEQNSA-N 358.438 2.081 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCc2ccccc2)n1 257205678 BACKNUHQXIPNGV-LJQANCHMSA-N 352.438 2.409 0 40 FEAB CNc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CN(C)CC2 257270449 MUGSADDFWDOGRP-OAHLLOKOSA-N 357.502 2.402 0 40 FEAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(CCC(N)=O)C3 257217015 CXCURKCADOHLDC-WMLDXEAASA-N 360.454 2.121 0 40 FEAB Cc1nc2ccc(C(=O)N3CCOC[C@@H]3CCc3cnccn3)cc2[nH]1 257337740 YUEBOCXOBBEEOX-INIZCTEOSA-N 351.410 2.135 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257236304 HBNUGYATXDTKJO-OAHLLOKOSA-N 366.421 2.298 0 40 FEAB Cc1noc(CN2CCCC[C@@H](NC(=O)c3cccn3C(C)C)C2=O)n1 643957702 GWJYVFYACIXNFU-CQSZACIVSA-N 359.430 2.072 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1C[C@@]1(C)Br 606444905 GHVCCNYKEUJCIF-FMVNMVDZSA-N 356.264 2.178 0 40 FEAB COc1cc2c3c(c1)[C@@](O)([C@@H]1COCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816492 JCSNJPRMWGCWQI-FOIQADDNSA-N 357.406 2.031 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)Cc3ccccc3C)CC2)C1 585103000 KODZOORULRFYTD-HXUWFJFHSA-N 374.525 2.371 0 40 FEAB CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095699 CQMZMNNHROCZEM-QGZVFWFLSA-N 355.442 2.058 0 40 FEAB O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccnc(F)c2)O1 585108696 BNULJEUAYLRMFS-BZUAXINKSA-N 361.417 2.042 0 40 FEAB CC(C)OCCOCc1ccc(OC[C@@H](O)CN(C=O)C(C)C)cc1 1690140310 XLTMWMPSNKDLCD-SFHVURJKSA-N 353.459 2.235 0 40 FEAB in-vitro CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc2ccccc12 5014586 KAMWQJJIHIRPDS-UHFFFAOYSA-N 369.446 2.317 0 40 FEAB COC(=O)[C@H](C)Sc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 5163402 OTCGMGPHHYWGPG-VIFPVBQESA-N 372.385 2.256 0 40 FEAB CCCc1nnc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)s1 11615683 JEZMMYJXIZNJHR-UHFFFAOYSA-N 370.456 2.258 0 40 FEAB COc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc(C)n1 12223648 FPYJJNNPMBAOPG-UHFFFAOYSA-N 360.845 2.338 0 40 FEAB O=C(CCC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)NC1CC1 12337456 IWLRLMYZGRVPCC-MRXNPFEDSA-N 358.438 2.234 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCc1ccccc1 13582787 NKCINCNIRYNLMS-UHFFFAOYSA-N 362.451 2.064 0 40 FEAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cn2cccnc2=O)n1 19240184 OLHOTWUMUKKOLC-CYBMUJFWSA-N 360.464 2.170 0 40 FEAB COc1ccc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)s1 19561999 CAVQNXSTTHNBOG-UHFFFAOYSA-N 374.466 2.018 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2ccccn2)C1 19562033 CACVVCSUHUUOGM-HXUWFJFHSA-N 351.406 2.051 0 40 FEAB NC(=O)c1[nH]c(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1-c1ccccc1 19698885 BUNZLZFWYYPBFR-HNNXBMFYSA-N 368.437 2.061 0 40 FEAB CC(C)(C)OC(=O)NC1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19894177 ZLYWUYVCLVWVHS-MRXNPFEDSA-N 373.453 2.308 0 40 FEAB Cn1nc(N2CCC[C@@H](C(=O)N[C@H]3CCCc4ccccc43)C2)ccc1=O 245108423 SWPCYSCCTOAYTG-AEFFLSMTSA-N 366.465 2.191 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2CCc2cccs2)on1 29036335 LZZIENVARWVOCY-SNVBAGLBSA-N 364.456 2.393 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3ccoc3)cs2)CC1 1888921854 GHDXXSHCMLVIRV-UHFFFAOYSA-N 368.480 2.296 0 40 FEAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](COc2ccc(F)cn2)C1 1889139179 BDNOKBJFMDRVMC-SNVBAGLBSA-N 356.341 2.204 0 40 FEAB O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1cccnc1 238852794 JQFZUBGCHWGKMS-HNNXBMFYSA-N 366.489 2.419 0 40 FEAB O=C(NCCS(=O)(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 4940927 KKFFYBBWCMHJDC-UHFFFAOYSA-N 371.462 2.060 0 40 FEAB CC(C)(C)c1ccc(OCC2CCN(C(=O)N3CCOCC3)CC2)nn1 1775966121 QUVSZJZUQIBEOW-UHFFFAOYSA-N 362.474 2.317 0 40 FEAB CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc(C)cc(C)n3)CC2=O)cc1 11099414 ZBWLGJWIWHBYFC-AWEZNQCLSA-N 367.409 2.043 0 40 FEAB COC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 31677813 ZUQRKYNMQPTHSV-UHFFFAOYSA-N 374.418 2.140 0 40 FEAB CCCCCN1CC(=O)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773703 XUDCAQRCSGARHJ-ZWKOTPCHSA-N 364.511 2.253 0 40 FEAB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@@H]1N2C(=S)SC 4743682 SMMQRRVKRYCIDI-XSQNFIFISA-N 353.465 2.173 0 40 FEAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C(N)=O 4881722 MQCWVPZCQWDCCU-UHFFFAOYSA-N 373.478 2.494 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680803 AWYHJGQSTNPYLI-CYBMUJFWSA-N 372.512 2.222 0 40 FEAB CCCNC(=O)NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 7313426 VPSLXHNLGWPTFQ-UHFFFAOYSA-N 370.434 2.361 0 40 FEAB O=C(CCCOc1ccccc1)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7989913 TVZBPOXIZJGZMC-UHFFFAOYSA-N 354.362 2.441 0 40 FEAB Cc1ccccc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1 9062980 PCAHDAFKADARDZ-UHFFFAOYSA-N 359.514 2.046 0 40 FEAB COc1ccc(NC(=O)C[C@H]2C(=O)Oc3ccccc3N2C(C)=O)cc1 9288677 ZQZHMMCYYZXOPU-INIZCTEOSA-N 354.362 2.365 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1Cn1ccnc1 32860018 KQYVVRUZHLIGOB-UHFFFAOYSA-N 362.389 2.156 0 40 FEAB C[C@H](C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccccc2)CC1 29829714 NZCFNKKMNTYPTO-CQSZACIVSA-N 358.467 2.318 0 40 FEAB COc1cc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc(OC)c1OC 12409464 CMKSIMVJKNDLRP-SECBINFHSA-N 373.361 2.012 0 40 FEAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(F)cc1 22912691 GIPLPFAIHULBCV-LJQANCHMSA-N 357.429 2.115 0 40 FEAB O=C1CN(C(=O)COC(=O)CCC(=O)c2cccs2)c2ccccc2N1 33722396 GFGLLIJFFSPCHE-UHFFFAOYSA-N 372.402 2.240 0 40 FEAB CN(Cn1nc2sc3ccccc3n2c1=S)[C@H]1CCS(=O)(=O)C1 12534381 OZLFAFLNPRRTSQ-JTQLQIEISA-N 368.509 2.156 0 40 FEAB Cc1ccc(C)c(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)c1C 24837142 KLQXXBJMPPZTBZ-MRXNPFEDSA-N 367.449 2.429 0 40 FEAB O=S(=O)(NCCNc1ccccn1)N1CCC2(CCCCC2)CC1 89883910 NNIWSEWNZRJZGM-UHFFFAOYSA-N 352.504 2.374 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cn1 3216335 IZDQWKTWFCSWSB-UHFFFAOYSA-N 350.172 2.343 0 40 FEAB CCC[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N(C)C 89949408 LLDGKJRIGAPSOR-CYBMUJFWSA-N 356.264 2.234 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c1 58179888 GDVHIXLECNIWDD-IBGZPJMESA-N 371.393 2.311 0 40 FEAB Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 10233787 CFEQFXHKTAMVNO-UHFFFAOYSA-N 367.453 2.321 0 40 FEAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(C(N)=O)CC1 12791418 ICFPQNWEBFIJPI-JTQLQIEISA-N 359.348 2.110 0 40 FEAB CCCCN(C(=O)c1cc(F)cc2[nH]cnc12)[C@@H]1CCS(=O)(=O)C1 58304582 HYFLIARDIYAKJS-GFCCVEGCSA-N 353.419 2.131 0 40 FEAB Cn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@@H]1NS(C)(=O)=O 2218143 ALMWMIGMSWPOKU-GJZGRUSLSA-N 360.464 2.406 0 40 FEAB O=C1C[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(F)cc2N1 12823645 LXNQJAIZSQPROM-CYBMUJFWSA-N 352.369 2.487 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(C)C)c1 12979879 XSTOMEYIGJQWQL-UHFFFAOYSA-N 363.277 2.181 0 40 FEAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1 12995145 VMCIHOKJKMKELI-QKKBWIMNSA-N 363.417 2.473 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1OC 13362418 HVZASKOXWOUABA-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CNC(=O)C1CCC(NC(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 63394549 HIEBKEJCQLMPDP-UHFFFAOYSA-N 357.414 2.471 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(-c2cccc(Cl)c2)n1 39998381 IXVJBLOGOGJMNU-NSHDSACASA-N 356.856 2.380 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2cccs2)C1=O 6394288 XBDYISGQHGBRPG-SFHVURJKSA-N 372.402 2.169 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)Sc2nc([C@@H]3CCCO3)n[nH]2)cc1 14085705 CUWJIZDAWIZBQS-FZMZJTMJSA-N 362.455 2.462 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)NCc2ccc(F)cc2)c1 6559710 DVLGVBBDUQQJEP-UHFFFAOYSA-N 359.401 2.021 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 14519525 PYWLQHMECQIFSM-MEDUHNTESA-N 351.366 2.044 0 40 FEAB O=C(NCc1nnc2ccccn12)c1ccc(OC[C@H]2CCCO2)cc1 6851130 QGHXBXWGOMEUPW-MRXNPFEDSA-N 352.394 2.217 0 40 FEAB COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1C 5860726 JROSEFBTJULQSW-UHFFFAOYSA-N 369.446 2.351 0 40 FEAB Cc1ccc(N([C@H](C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1C 4933162 IFJAMYFJZVKSQK-OAHLLOKOSA-N 361.467 2.169 0 40 FEAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7297313 KBVSKVXZPZERSE-SECBINFHSA-N 354.395 2.018 0 40 FEAB COc1cccc([C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2nccn2C)c1 8746619 DXOLVHGVJJQHFG-QGZVFWFLSA-N 352.394 2.479 0 40 FEAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8767408 MWMDAQRPPYNKHP-UHFFFAOYSA-N 374.503 2.190 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(=O)[nH]c3ccccc23)cc1 15968632 NWYKUVVLGPZHNW-UHFFFAOYSA-N 365.389 2.247 0 40 FEAB Cc1ccc(C)c(OCCS[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 9690742 KEIPPQPZMFDJLN-CABCVRRESA-N 371.524 2.107 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1 72312013 QZAJUCFHXWSPDQ-KGLIPLIRSA-N 362.499 2.131 0 40 FEAB CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1=O 72312712 QVWPSQAPSLUQHD-SKDRFNHKSA-N 373.236 2.413 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2cccnc2Cl)c1OC 72330777 QICGERMOCAUFGG-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB O=S(=O)(c1cccs1)N(CCN1CCOCC1)c1ccccc1 60296644 IIHRMYKORBYSIO-UHFFFAOYSA-N 352.481 2.276 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)NCc1nc2c(C)cccc2[nH]1 95451812 GVJDZOIKEPROPW-UHFFFAOYSA-N 366.421 2.316 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC)C2CCCCC2)cc1 408625994 XTWUYBNIVLFIFO-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2nc(C)cs2)CC1 306135782 PAMFVMUNIKFDNH-UHFFFAOYSA-N 374.514 2.021 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCc3ncc(-c4cnn(C)c4)n32)cc1 306142973 XPNCEZVLKYEENX-HNNXBMFYSA-N 371.466 2.058 0 40 FEAB Cc1ccc(N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 409412373 VLHRGUGNMBZNEF-OAHLLOKOSA-N 356.488 2.081 0 40 FEAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1cc(C)nc3ncnn13)C2 32074708 NRIDEBNCPPVYAZ-CQSZACIVSA-N 356.407 2.350 0 40 FEAB COCCn1c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c2cccnc21 72389479 SSUAXEKZFRJTLM-CVEARBPZSA-N 372.469 2.026 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218617087 XTWMIXZNVMMWMP-JENIJYKNSA-N 359.447 2.279 0 40 FEAB COc1ccc(C2(C(=O)NC[C@@](C)(O)c3ccco3)CCOCC2)cc1 85554919 WMMGPJBDWPXNIC-LJQANCHMSA-N 359.422 2.360 0 40 FEAB CC(=O)N1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 225426424 RJMUQRHEVAQCFC-UHFFFAOYSA-N 360.483 2.000 0 40 FEAB biogenic,in-vitro CN(C)c1cnnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 224309425 KIEXNFYXTNSYHK-UHFFFAOYSA-N 363.824 2.298 0 40 FEAB O=C(c1cccs1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049017 HDTRQDCTSSKPAM-UHFFFAOYSA-N 362.430 2.189 0 40 FEAB CC(=O)c1cn(CCC(=O)/N=c2\[nH]nc([C@@H]3CCCO3)[nH]2)c2ccccc12 95473987 IPRVKVGSNSIOGZ-INIZCTEOSA-N 367.409 2.264 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96208795 QZBDSERUBSABBI-SFHVURJKSA-N 353.422 2.457 0 40 FEAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)C3CCOCC3)CC2)C1 96220937 ZOPZVKSNMCHXQY-LJQANCHMSA-N 373.497 2.090 0 40 FEAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@@H]2c2ccccc2)c1C(F)F 583682241 QIKNQKLITADBGT-CYBMUJFWSA-N 371.409 2.428 0 40 FEAB COCCN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)N(C)C)CC2 96069710 UHPJHYGYQUHKEM-KRWDZBQOSA-N 359.470 2.165 0 40 FEAB COc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1F 257269614 MQROPSYQKRVTEE-HNNXBMFYSA-N 359.401 2.285 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCCC2(O)CCCC2)[C@@H]1c1ccccc1 257256195 KKLFYKDAXAOTLX-MJGOQNOKSA-N 374.481 2.034 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC(N3CCc4ccccc4C3)C2)cc1 253473566 WLBYQBKIHMQURS-UHFFFAOYSA-N 350.418 2.356 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)CCn3ccc(C)n3)CC2)cn1 257204618 AVODLZXJLQPOCU-MRXNPFEDSA-N 356.474 2.285 0 40 FEAB Cc1ncc(CNC(=O)Cc2sc(C)nc2C)c([C@@H]2CCCN2C)n1 257210315 BUBMNFVFDLGDDY-HNNXBMFYSA-N 359.499 2.484 0 40 FEAB Cc1ncc(CNC(=O)c2n[nH]c3c2CCCC3)c([C@@H]2CCCN2C)n1 257199820 AAXQAIPUEZQJOJ-INIZCTEOSA-N 354.458 2.084 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3cccnc3OC)CC2)cn1 257290728 QEBUDBXVNXHIRG-CQSZACIVSA-N 355.442 2.407 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1OC 530157157 OHJIJAVSSKLODW-UHFFFAOYSA-N 353.375 2.311 0 40 FEAB COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 285208266 WYGYDYRQXYKZLX-WBVHZDCISA-N 368.424 2.307 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2C=CCCC2)no1 281233466 OPWYTAHHBCBTOH-PMPSAXMXSA-N 350.438 2.495 0 40 FEAB CCNC(=O)N1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 669694374 ZPBOFPJMFVNINV-UHFFFAOYSA-N 354.410 2.361 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3C[C@H](C(F)(F)F)OC[C@H]3C)cc2=O)cc1 672174778 ZBKXPKOJVZTHLR-BXUZGUMPSA-N 369.343 2.266 0 40 FEAB O=S(=O)(CCc1noc2ccccc12)N1CCO[C@@H]2CCCC[C@@H]21 631767926 XSADMOWLGYVOFD-DOTOQJQBSA-N 350.440 2.344 0 40 FEAB COc1cccc(C(=O)N2CCN(c3cc(C4CC4)ncn3)CC2)c1OC 641320775 HVTCERSILLLGLC-UHFFFAOYSA-N 368.437 2.334 0 40 FEAB Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)c2cnn(C(C)C)c2n1 655601235 NYSLGAYDXWIKEE-INIZCTEOSA-N 367.409 2.141 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 585112065 KPVNCIZLEGUWDH-SFHVURJKSA-N 369.469 2.254 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cccn2C1 585099006 APXXGNJMHYAUDG-OAHLLOKOSA-N 362.433 2.445 0 40 FEAB COC(=O)c1coc(C(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)c1 95940215 NVNNSINBKMFKPP-OKILXGFUSA-N 364.442 2.028 0 40 FEAB COc1ccc(COCC(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cn1 627547459 DQNVYSJOUZXKLC-QZTJIDSGSA-N 367.449 2.202 0 40 FEAB Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 12084946 QZBMGORVKMUYRE-CQSZACIVSA-N 369.450 2.104 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)n12 12276690 YEVPXHHMDVPZJX-KBPBESRZSA-N 367.453 2.111 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12417022 NFRQLEBBIIEUML-SECBINFHSA-N 366.370 2.355 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2C)CC1 14094520 NWZPHSGREISCKM-ZDUSSCGKSA-N 352.866 2.005 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 14396384 VMQTXCGKPFQPTL-CQSZACIVSA-N 372.421 2.477 0 40 FEAB Cc1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 15718071 FBAMZSYWGTVQRP-UHFFFAOYSA-N 374.462 2.213 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 18209192 MYVQHPGOEUJJEY-WBVHZDCISA-N 358.394 2.124 0 40 FEAB CN1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3)c3ncccc23)C1 19587917 SYHCQZJYNGOOHE-KRWDZBQOSA-N 363.465 2.209 0 40 FEAB COC(=O)[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc(OC)cc2)[C@H]2C=C[C@H]1[C@H]1C[C@H]12 169295719 ONFSNMPRGOMFHO-VNTOXUBHSA-N 370.401 2.278 0 40 FEAB CCOC(=O)c1ccc2c(c1)nc(CNc1ccc(C(N)=O)cc1)n2C 205387601 YDONNPXUANLUMQ-UHFFFAOYSA-N 352.394 2.461 0 40 FEAB Cc1ccc(Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 7425593 ZGTLGLDRLSKWDE-UHFFFAOYSA-N 367.453 2.016 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@]12C[C@@H](c1ccccc1)CO2 643587623 HTRVLJLFUKOKIL-YFVAEKQCSA-N 369.465 2.369 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)nc2ccccc21 9157085 NALRJRMMLILDJY-IBGZPJMESA-N 369.425 2.105 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 5224037 AGMXQYKTOYVBPF-ZQIUZPCESA-N 364.442 2.272 0 40 FEAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 6650075 VPKGTSSESUWVPB-GFCCVEGCSA-N 356.378 2.303 0 40 FEAB COc1cnc(OC2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)nc1 1889179589 VPFLYRBVCMXPMH-UHFFFAOYSA-N 361.373 2.317 0 40 FEAB O=C1[C@H](N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CCN1C1CC1 1776009034 RUZKMUBTVPRMCP-CYBMUJFWSA-N 370.375 2.102 0 40 FEAB CCN1C[C@H](C(=O)Nc2cccc(I)c2)CC1=O 32815885 LVGZIEXZJYQHND-SECBINFHSA-N 358.179 2.098 0 40 FEAB O=C(NCCn1ccc(-c2cnccn2)n1)c1ccc2ncsc2c1 253473075 RFZWSOHOSPPQNI-UHFFFAOYSA-N 350.407 2.380 0 40 FEAB Cc1cccc(N2C[C@]3(CCN(C(=O)CCc4cncnc4)C3)CC2=O)c1 1614932540 LKXUWNNCOGPWGI-OAQYLSRUSA-N 364.449 2.373 0 40 FEAB Cc1cc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)n2nc(C)cc2n1 2087038302 UNCVVOPXKVBIRD-HUUCEWRRSA-N 352.417 2.453 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565552760 WCEIUYJOZCLBMV-UYAOXDASSA-N 354.454 2.305 0 40 FEAB COc1ccc(C)cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033838 IOZQJURKWRIJOA-UHFFFAOYSA-N 369.352 2.234 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1 4585952 LIPIHBABZNQSQN-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 5221857 MPUDHOJUYCONPP-CQSZACIVSA-N 360.435 2.087 0 40 FEAB COc1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 5240520 HNXBFPCQDUAMAD-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccc(F)cc1 8987134 IOCRWJGBMZWLRO-GFCCVEGCSA-N 356.353 2.337 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccco2)n1 12006460 CXEGVHKTLXFGRT-UHFFFAOYSA-N 351.322 2.369 0 40 FEAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)O1 2055793526 PBIBZPMNCHMYAF-AZUAARDMSA-N 363.502 2.064 0 40 FEAB CSc1ncccc1C(=O)N1C[C@@H]2CN(c3cc(C)ncn3)C[C@H]2C1 1889095806 JNUGRZREXQJSOY-KBPBESRZSA-N 355.467 2.110 0 40 FEAB Cn1nccc1-c1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cn1 575619174 IIVLOKZZOXGQPP-UHFFFAOYSA-N 365.393 2.210 0 40 FEAB Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3 4064415 WJGYFJYLRQXZCJ-OAHLLOKOSA-N 371.389 2.045 0 40 FEAB biogenic Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(N3CCNC3=O)c2)n1 40120444 DJVHSEIYYYLREV-ZDUSSCGKSA-N 370.457 2.487 0 40 FEAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Br 24839090 SZQSOOUQLIQMES-VIFPVBQESA-N 363.277 2.276 0 40 FEAB COc1ccc(CN2CCN(CC(=O)N3CCCCCC3)CC2)cc1F 78955095 LHDDGNFUZVFABL-UHFFFAOYSA-N 363.477 2.355 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(Cn2ccnc2)c1 25175706 VNMBGDHQHVBLCU-UHFFFAOYSA-N 374.404 2.065 0 40 FEAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NC(C)C)cnc21 57486474 RTVQFZGGFCUFHH-UHFFFAOYSA-N 359.817 2.069 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl 6883931 GOCHDHMEECOTIA-GFCCVEGCSA-N 374.890 2.274 0 40 FEAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)cc1 10041595 QVIQUSJVRWTUAO-UHFFFAOYSA-N 369.373 2.076 0 40 FEAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 58191360 PSHOLFHQANOAQR-LJQANCHMSA-N 373.359 2.048 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCC(C(=O)NCc2ccco2)CC1 58182666 WWZKSHSBGVIWBV-LBPRGKRZSA-N 362.455 2.092 0 40 FEAB CCCCn1nnnc1CSc1nnnn1-c1ccc(Cl)cc1 8072757 FAJZVGPWCFUGSC-UHFFFAOYSA-N 350.839 2.395 0 40 FEAB O=C(CN1CSCC1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8144227 GDPYJYVPWSUQOU-UHFFFAOYSA-N 371.466 2.143 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 8907765 KFQNHLXXJPYVNT-UHFFFAOYSA-N 352.346 2.016 0 40 FEAB CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)N1C[C@H](C)O[C@H](C)C1 58208963 LIGHVNDXCUCKEQ-QKLQHJQFSA-N 374.529 2.432 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 9957394 ONBWUKRZUUKNRN-WUXMJOGZSA-N 365.363 2.023 0 40 FEAB O=C(COc1cccc2ccccc12)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10925082 MLSXTONZKNXFOU-UHFFFAOYSA-N 361.357 2.387 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)NCCCOC(C)C)n(C)c3nc12 2917284 DOHLHKBJTUXHTC-UHFFFAOYSA-N 356.426 2.040 0 40 FEAB COc1ccccc1N1CCN(C(=O)CN2CCCCCCC2=O)CC1 47557889 YTVQENOUAHKEOJ-UHFFFAOYSA-N 359.470 2.137 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1OC 12544315 NAEIDFMBRNKPAV-UHFFFAOYSA-N 361.370 2.116 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCCN1CCCCCC1=O 12855190 NEYGDCJLZYVSJT-UHFFFAOYSA-N 371.481 2.265 0 40 FEAB CC(C)N(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)C(C)C 6219414 RJEOQJMVDXDWRI-QGZVFWFLSA-N 370.453 2.276 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccc(F)cc1 14015355 FVIKXJFMWLAOET-SUMWQHHRSA-N 369.396 2.166 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 14136762 GBTYTSZOUMXUIC-LBPRGKRZSA-N 355.847 2.260 0 40 FEAB O=C(COC(=O)CN1C(=O)CCOc2ccccc21)Nc1ccc(F)cc1 6584296 SNBGIHVQLQPQQY-UHFFFAOYSA-N 372.352 2.123 0 40 FEAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCC[C@H]2C1 28233235 IPBOJQONJZSNJI-ZDUSSCGKSA-N 356.392 2.476 0 40 FEAB CCCCN(CC)C(=O)Cn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O 67255962 QBXWZZVTGBMDQG-UHFFFAOYSA-N 373.453 2.047 0 40 FEAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15515259 MYJUGZHQYYXDGW-UHFFFAOYSA-N 366.377 2.001 0 40 FEAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 9688330 DBCVWDOZUWDHQQ-UHFFFAOYSA-N 362.407 2.066 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 20815842 PRNYGROVCVIJMQ-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)c1 8355467 UIHVQVWVZXQYGQ-LBPRGKRZSA-N 367.405 2.442 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCCN2CCCCC2)c1 95947068 GVOMYIIVGWEUTA-UHFFFAOYSA-N 354.472 2.016 0 40 FEAB O=C1[C@@H](N2CCN(CCc3ccccc3)CC2)CCCN1C1CCOCC1 95999656 XPAUWDSHSXKQRM-NRFANRHFSA-N 371.525 2.017 0 40 FEAB Cc1ccc2cc(/C=C3\N=C(S)NC3=O)c(N3CCOCC3)nc2c1 20023658 DATYIIRNLBPVBF-GDNBJRDFSA-N 354.435 2.136 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 71285532 VYFIGLQHAHVHLX-GFCCVEGCSA-N 373.442 2.015 0 40 FEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc2nn[nH]c12 96003942 BHSQXCUOIIPQGI-NSHDSACASA-N 358.423 2.195 0 40 FEAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1 11865461 WWHBUEWQELPWCK-CYBMUJFWSA-N 361.394 2.273 0 40 FEAB biogenic Cc1nc(C)n(C[C@H]2CCCN(C(=O)NC[C@H](C)Cn3ccnc3C)C2)n1 172130429 PWWLGJADKXMFDX-KSSFIOAISA-N 373.505 2.158 0 40 FEAB NC(=O)NC(=O)CCSc1nccn1-c1ccc(Br)cc1 32869568 GNRNTWRGHDBLPP-UHFFFAOYSA-N 369.244 2.312 0 40 FEAB NC(=O)c1cncc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)n1 301726955 VNQMISFMNIGETH-WMZOPIPTSA-N 351.454 2.066 0 40 FEAB O=C1C[C@@]2(CCN(C(=O)NCc3noc(C4CC4)n3)C2)Oc2ccccc21 518489604 XPPKIQDYDUVAFQ-LJQANCHMSA-N 368.393 2.267 0 40 FEAB NC(=O)[C@H]1CCCN(Cc2nnc(-c3ccc(Br)s3)o2)C1 32773888 HIBFORDFAOTQIR-QMMMGPOBSA-N 371.260 2.258 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 218575413 IKTCSXCRBBOLAE-IKGGRYGDSA-N 350.871 2.244 0 40 FEAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(NC(=O)N2CCOCC2)C3)cc1 35291745 ZVQSWBYJPRKCNG-AYHJJNSGSA-N 359.470 2.232 0 40 FEAB Ic1ccc(NCCc2cn3ccccc3n2)nc1 560355743 IWOZJDILEAFJNZ-UHFFFAOYSA-N 364.190 2.989 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)cc1OC 32094002 AZXKFLVMGNVWIR-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB CCc1cc(=O)[nH]c(NC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 72341838 WEJIXUCINUNSNH-UHFFFAOYSA-N 369.469 2.115 0 40 FEAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1ccccc1 135737948 PHNCQBWCTXSRAA-UKTHLTGXSA-N 354.387 2.260 0 40 FEAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40283697 RDZYOIHUZRHOAF-HNNXBMFYSA-N 363.377 2.255 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 223269980 TVAWYVZNOZXHCB-UHFFFAOYSA-N 362.451 2.199 0 40 FEAB CCCn1ncc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)c1C 40287524 UUTRBIANRYERLJ-UHFFFAOYSA-N 369.347 2.270 0 40 FEAB COc1ccc(CN2CCCn3c(nc(CN4CCCC4)cc3=O)C2)cc1 96059579 RVOAKXPQYSVSNB-UHFFFAOYSA-N 368.481 2.254 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)s1 96052215 ZTOWIWSPFCHZFM-QGZVFWFLSA-N 364.511 2.144 0 40 FEAB O=C(c1cscn1)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 96110410 AOKVIWCZBXFJMZ-AEFFLSMTSA-N 359.451 2.376 0 40 FEAB CS(=O)(=O)c1ccc(NCCn2ncc3ccccc3c2=O)c(F)c1 585083228 CQDNKFZYKXFZKD-UHFFFAOYSA-N 361.398 2.051 0 40 FEAB COCCN1C[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@@]2(c2ccccc2)C1 247831769 HSYMUKXLXUKNHH-RXVVDRJESA-N 353.466 2.377 0 40 FEAB O=C(Cc1ccco1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247843050 GBIUORLQDADXOA-AWEZNQCLSA-N 360.385 2.443 0 40 FEAB CN(C(=O)C1CCOCC1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257317267 VJBUHISHNPBJBJ-SQNIBIBYSA-N 351.418 2.372 0 40 FEAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)C3CCOCC3)CC2)s1 257309690 UBZCLPOLJSISPI-UHFFFAOYSA-N 365.499 2.152 0 40 FEAB O=C(O)CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CCCC1 621575252 SVQPQKSHUUKEQR-UHFFFAOYSA-N 365.817 2.339 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(N2CCCCC2)cc1 643949101 FYWOUIBSBUHRLG-FQEVSTJZSA-N 359.470 2.044 0 40 FEAB O=C(NCc1csc2ncnn12)[C@H]1CCCN1c1nc2ccccc2o1 96122597 FUPRPDZJDBSGAJ-CYBMUJFWSA-N 368.422 2.217 0 40 FEAB O=C(CSc1nc(O)c2ccccc2n1)N[C@H](C(=O)O)c1ccccc1 1775968493 LPMSYLOXTPTVLJ-HNNXBMFYSA-N 369.402 2.370 0 40 FEAB c1cnc(Nc2nccnc2[C@@H]2CCCN(CC3CCOCC3)C2)cn1 585177443 NRFDYHNICKFINX-MRXNPFEDSA-N 354.458 2.616 0 40 FEAB Cc1cccc([C@H](CNc2cnn(C)c(=O)c2Cl)N2CCOCC2)c1 29626765 KBVIHDADALUWMJ-INIZCTEOSA-N 362.861 2.228 0 40 FEAB Cc1nnc(NC(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)s1 49383373 GCQCQHRAVRQFMC-UHFFFAOYSA-N 353.354 2.005 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccnc(-n2cncn2)c1 54673278 LKOFXXOOGNJJED-UHFFFAOYSA-N 351.366 2.053 0 40 FEAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)c2ccccc21 78001709 IIAQJZPZABRPSO-LLVKDONJSA-N 357.391 2.330 0 40 FEAB Cc1ncsc1CN1CCOC[C@@](O)(COc2cccc(F)c2)C1 1615190998 JPUNSRVVXFRFHF-QGZVFWFLSA-N 352.431 2.233 0 40 FEAB CSc1nnc(C2CCN(CC(=O)NCc3ccc(C)cc3)CC2)n1C 5001378 PLILJIUKAQYGRD-UHFFFAOYSA-N 373.526 2.341 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(F)cc1 13674567 WBLIBKULGQMFHB-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)COc2ccccc2F)cc1 13717230 VNMDPZKJUALZCQ-UHFFFAOYSA-N 360.385 2.148 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCCCOCc1ccccc1 14181798 LFUQBSKDXGUDLD-UHFFFAOYSA-N 352.390 2.006 0 40 FEAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C(C)C)CC2 19711598 CKTAKXOBKJJVKU-INIZCTEOSA-N 359.474 2.133 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1C[C@@H](C)O[C@H](C)C1 11613529 DXYSJVJARQLNGW-UPJWGTAASA-N 351.472 2.039 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc(O)cc1 2646780 ARUNZUYZBOWYLR-LBPRGKRZSA-N 367.434 2.438 0 40 FEAB COc1cnc(OC2CCN(c3nccc(C(F)(F)F)n3)CC2)nc1 1889098481 WVRSLYCFNPIVKK-UHFFFAOYSA-N 355.320 2.342 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 15193457 VIYVFHGRWUEOEY-UHFFFAOYSA-N 368.436 2.037 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc2ccccn2c1=O 25250478 NMXGXFQTZXWPTC-UHFFFAOYSA-N 359.389 2.152 0 40 FEAB Cc1ocnc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984840 PKAIHWOSMPVAFA-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB O=C(N1CCC[C@@]2(COCCN(c3nccs3)C2)C1)C1(F)CCC1 1614929856 IYCZAYKBBKCSMF-MRXNPFEDSA-N 353.463 2.481 0 40 FEAB CCc1ncnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)c1F 2087000724 HCUIRHYFNJFQDC-UHFFFAOYSA-N 355.421 2.164 0 40 FEAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)nn1 11738973 IZKDGAGBMFFGBF-UHFFFAOYSA-N 360.395 2.285 0 40 FEAB CN1C(=O)c2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2C1=O 24495672 XTWIGZQBSHCCNW-UHFFFAOYSA-N 360.373 2.279 0 40 FEAB O=C(c1cn(-c2ccccc2)nn1)N1CCN(c2ccccc2F)CC1 40073393 HVBOHELAKQIFDL-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB CSc1ncccc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 40012057 FTHYDHCWABJDQU-UHFFFAOYSA-N 367.478 2.409 0 40 FEAB O=C(CCC(=O)c1ccc(F)cc1)NCc1cccnc1N1CCOCC1 32017519 XMAHYAXJHFZOBF-UHFFFAOYSA-N 371.412 2.337 0 40 FEAB O=c1c(NC2CCCCCC2)c(N2CCN(c3ccccn3)CC2)c1=O 101707837 YCISSKKTZCIVLY-UHFFFAOYSA-N 354.454 2.139 0 40 FEAB C[C@H]1CCC[C@H](c2ccccc2)N1C(=O)Cn1ncn2nccc2c1=O 79061276 RPTDMHISPLWHBZ-GOEBONIOSA-N 351.410 2.033 0 40 FEAB Cc1nn([C@H](C)C(=O)N(C)Cc2cn(C)nc2C)cc1Br 2776875 RITMQDWYOMTLEY-LLVKDONJSA-N 354.252 2.216 0 40 FEAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)CS(=O)(=O)C2 4088599 VRCWSAIMWUSORC-UHFFFAOYSA-N 351.403 2.458 0 40 FEAB O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1 56994220 PHOAWMPCFDMMQK-UHFFFAOYSA-N 352.482 2.409 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCCC)cc1 6273369 LVOWGUFSEQPCPW-UHFFFAOYSA-N 356.488 2.450 0 40 FEAB CN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc2c(c1)OCO2 7641310 VUDYKGUDPAQRBM-UHFFFAOYSA-N 369.421 2.188 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 104346234 DICQBIGGYYCSMA-KRWDZBQOSA-N 358.438 2.210 0 40 FEAB COc1ccc([C@@H](CNC(=O)Cc2c(C)noc2C)N2CCOCC2)cc1 12602308 GXQNPSBQGRBPLA-LJQANCHMSA-N 373.453 2.032 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 8059603 LXMLSTUZWZYUOZ-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB COc1cc(CNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 8361491 WNVCOWHDJZJXQM-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB COC(=O)c1ccc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 58745410 NIMPKYWWCDNXIE-UHFFFAOYSA-N 373.453 2.363 0 40 FEAB COCCn1cc(NC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)cn1 58215334 AMESAMRLSBBJRU-UHFFFAOYSA-N 374.441 2.400 0 40 FEAB CCCCC[C@@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 9306698 GHSWGMQDPLXLKZ-VJQKOZLESA-N 373.453 2.354 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccccc1 2270844 WZMNREPKOIIFRH-UHFFFAOYSA-N 361.405 2.084 0 40 FEAB biogenic NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc3c(c2)OCO3)CC1 58428485 HJINRHDPCRUYAF-UHFFFAOYSA-N 367.405 2.369 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(CC(F)F)CC1 58406602 DRAUHIITTKWRJO-UHFFFAOYSA-N 374.815 2.499 0 40 FEAB CC(C)[C@@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 10612276 IUTUVJIFHGNRHJ-MRXNPFEDSA-N 364.829 2.220 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2C[C@@H]1C 11174921 UNZNZNMLQXOYKC-NSHDSACASA-N 374.418 2.483 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCC3)CC2)cc1 11191765 AVMCLVSFUAQOSW-UHFFFAOYSA-N 366.483 2.155 0 40 FEAB O=C(O)CCN1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O 2503443 CDXQBRBNXAMJND-SNVBAGLBSA-N 359.201 2.357 0 40 FEAB CCn1ncc(CN(C)C(=O)Cn2cc(Br)c(C)n2)c1C 2776986 PKHHTVWAJHEHGX-UHFFFAOYSA-N 354.252 2.137 0 40 FEAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3)cc1 12345464 LQZHKMQJKBUKEU-LJQANCHMSA-N 363.417 2.388 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3547323 AUYCRNSOLYRAMB-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB COCCNC(=O)COc1ccc(Br)cc1Br 3515616 NTIKFZLYGZRQGF-UHFFFAOYSA-N 367.037 2.353 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2C2CC2)n(-c2ccc(F)cc2)n1 13002181 BJBMMGDIQBLDRA-UHFFFAOYSA-N 373.417 2.372 0 40 FEAB COc1ccc(O)c(C(=O)OCC(=O)NC(=O)OCc2ccccc2)c1 9337068 BEDKYDVHZRYDOK-UHFFFAOYSA-N 359.334 2.011 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)s1 9314761 KAKQWJWNBXTPST-UHFFFAOYSA-N 371.418 2.343 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1cccnc1 9368663 SKGGQILUIPQUHS-UHFFFAOYSA-N 368.462 2.438 0 40 FEAB CC(C)(C)c1nn2c(SCC(=O)c3ccc(F)cc3)nnc2[nH]c1=O 4251422 KERSHVVOURPJKT-UHFFFAOYSA-N 361.402 2.224 0 40 FEAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCO)cc1 408675915 LVRXZBZFHOTTDH-UHFFFAOYSA-N 352.390 2.296 0 40 FEAB COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc3ccccc3c2=O)c1C 6671868 AGQWOBXGAZSUGW-ZDUSSCGKSA-N 354.410 2.300 0 40 FEAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NCc1cccs1 4721829 FDKUMEGZUAEBQF-UHFFFAOYSA-N 372.494 2.278 0 40 FEAB COc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)c1O 9513766 XPLAOWUPGSGALQ-NSHDSACASA-N 358.350 2.294 0 40 FEAB Cc1ccccc1CNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842676 HXUYWEIMJOBIIW-CQSZACIVSA-N 372.446 2.238 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C4CCC4)C[C@@H]2C3)cc1 306143305 XYEXSBJTGNHNMF-KBPBESRZSA-N 367.453 2.196 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 68121370 JFIVXUCRDIFGLI-LLVKDONJSA-N 353.831 2.207 0 40 FEAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 7780434 ZZZZZGSGBLOQGA-SFHVURJKSA-N 357.366 2.073 0 40 FEAB C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 7987060 DVXICUGLQZXXHD-INIZCTEOSA-N 362.433 2.408 0 40 FEAB Nn1c(COc2ccccc2)nnc1SCC(=O)c1ccccc1O 409197055 UYRZASNRXLLTQH-UHFFFAOYSA-N 356.407 2.252 0 40 FEAB Cc1csc(=O)n1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8311977 HOQCAXRMSJRHMJ-CQSZACIVSA-N 360.435 2.353 0 40 FEAB COc1ccc(-c2cc(C(=O)N3CCNC(=O)C3)c3ccccc3n2)cc1 8328435 DVHDKPHRLAWBRA-UHFFFAOYSA-N 361.401 2.482 0 40 FEAB COc1cc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc(OC)c1 8734620 CIUSYONLROKNKE-UHFFFAOYSA-N 369.377 2.008 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 8745858 ITCSFQQZMJHCNO-OAHLLOKOSA-N 350.484 2.487 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)Cc1nc2c(s1)CCCC2 83011794 SHCXHXGKZWWKNU-UHFFFAOYSA-N 358.423 2.432 0 40 FEAB CC(C)NC(=O)CN(C)C1CCN(CCOc2ccc(F)cc2)CC1 89885235 DZSXLDAKTSGKQD-UHFFFAOYSA-N 351.466 2.125 0 40 FEAB COC[C@@H](Cn1cncn1)OC(=O)c1cc(Br)cn1C(C)C 89894025 ZZOADFRZJMIVDW-GFCCVEGCSA-N 371.235 2.295 0 40 FEAB CCOc1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)CCCC3=O)cc1 20673608 JBJINARQQIJGSQ-UHFFFAOYSA-N 350.378 2.485 0 40 FEAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 72380127 SDJYTURCONLGDD-QGZVFWFLSA-N 353.470 2.062 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cn1 85470818 VKWUXGOUVCLOEE-MRXNPFEDSA-N 364.409 2.152 0 40 FEAB O=C(c1ccco1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742924 QYDSDSLHQXRNSQ-UHFFFAOYSA-N 351.410 2.164 0 40 FEAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 85878476 OBTCIZFVUCPPKE-KRWDZBQOSA-N 365.389 2.261 0 40 FEAB biogenic C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@@H](C)O1 49662037 AGRFRTKLCPEWTJ-YVQPMRDGSA-N 363.498 2.381 0 40 FEAB biogenic CN(C)S(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110303 RCJOSBFJRJTZNL-ZWKOTPCHSA-N 352.500 2.153 0 40 FEAB Cn1nccc1[C@H]1SCC(=O)Nc2c1c(O)nn2C1CCSCC1 96117392 JKVHXQIUBWJJAX-CYBMUJFWSA-N 365.484 2.165 0 40 FEAB CCC[C@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@@H]1NC(C)=O 91943672 TYVNOLAXLLTCPV-WMZOPIPTSA-N 358.486 2.449 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96047133 GJSNUBAYFMSPDM-NRFANRHFSA-N 364.449 2.174 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccccn4)C3)OCC2=O)s1 96051466 RJFCYSAPNNJTPW-LJQANCHMSA-N 373.478 2.086 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)nc1 96108980 UTJZFYCOYKLSEU-YLJYHZDGSA-N 353.422 2.090 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2 96227585 RTJLCNHEZKEPRE-YLJYHZDGSA-N 356.470 2.452 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 245238680 YMLVJQDQZDAEFW-LJCCNALRSA-N 368.518 2.353 0 40 FEAB O=C1CN(C(=O)CN2CCC3(CC=CCOC3)CC2)c2ccccc2N1 257308566 TXFNJJHVQLSWBC-UHFFFAOYSA-N 355.438 2.030 0 40 FEAB Cc1ncc(C(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)N2C)cn1 257319640 VTLCPYPSARTPID-LFGUQSLTSA-N 360.502 2.261 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccccc1 257305348 SPOTWVHQDNHOPW-IAGOWNOFSA-N 350.484 2.034 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C)n3)cc2)C1 589291200 XOVZQKDMJGQEAW-CYBMUJFWSA-N 362.455 2.093 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cncn1 602308476 PBUQYGMNWWAJID-MAUKXSAKSA-N 372.448 2.118 0 40 FEAB Cc1cc2cc(NC(=O)N3CCC[C@@H](n4ccnn4)C3)ccc2n(C)c1=O 645010244 HGUDLKQALBGYHT-MRXNPFEDSA-N 366.425 2.307 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 585100976 PDBKEXDJPBXISJ-FQEVSTJZSA-N 368.412 2.271 0 40 FEAB Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3ccnc3)[C@H]2O)cc1 585286543 ZWMMFMTYIHWOII-YVWKXTFCSA-N 357.454 2.306 0 40 FEAB O=C1C[C@@H](c2cccc(Cl)c2)c2c(O)nc(N3CCOCC3)nc2N1 585655791 MQCMUQKYPCHUNZ-LBPRGKRZSA-N 360.801 2.146 0 40 FEAB CC(C)CC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@@H]1C 585096404 MJKFOVPKELUXAJ-AWEZNQCLSA-N 355.442 2.157 0 40 FEAB Cc1noc(C)c1-c1nc(N(C)CCN(C)C)ncc1-c1cnccn1 12155860 ZJKMTYOZQKCRBK-UHFFFAOYSA-N 353.430 2.203 0 40 FEAB C[C@@H]1Cc2cc([C@H](O)CN3CCCCCC3)ccc2N1S(C)(=O)=O 12180951 PZHLDGBEXDWCRT-RDTXWAMCSA-N 352.500 2.307 0 40 FEAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N(C)C 14507937 ADLQWLBHMZODCP-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB Fc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ncc[nH]2)cc1 19336460 QDQOZZHOOVZQLW-UHFFFAOYSA-N 368.416 2.417 0 40 FEAB CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)n[nH]1 19451883 RDTSOZJZWSAPLZ-OAHLLOKOSA-N 354.458 2.336 0 40 FEAB CNc1nc(C)c(C(=O)N[C@H]2CC(=O)N(c3ccccc3OC)C2)s1 19560911 OVQBEZGBUXMNHD-NSHDSACASA-N 360.439 2.037 0 40 FEAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCN(C(=O)C(C)C)C3)c2)CC1 19705389 BIWGEZDBAFTRMN-KRWDZBQOSA-N 358.486 2.030 0 40 FEAB O=C(NCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1)c1ccccc1 220724218 IGHKQOORAQQBQA-CQSZACIVSA-N 368.437 2.158 0 40 FEAB CC(=O)c1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1 5246792 QZNMCUSOTJTECQ-UHFFFAOYSA-N 350.378 2.413 0 40 FEAB O=C(NCc1nnnn1C1CC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 684792588 LAQWTGSPORHUAC-GXFFZTMASA-N 350.785 2.156 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)n1 23246213 XAFSXSBTQRSNIA-CQSZACIVSA-N 362.861 2.478 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841100 WEZYRTPBZUGKBV-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1 9035313 JGEGPGISEIMBIB-CQSZACIVSA-N 360.435 2.027 0 40 FEAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 2055734903 WXFALKGTHLUSJG-LBPRGKRZSA-N 369.874 2.225 0 40 FEAB O=C(NCc1cn(-c2cccs2)nn1)c1cccc(-n2cccn2)c1 575616278 JKLFOZNDLJZNNB-UHFFFAOYSA-N 350.407 2.445 0 40 FEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 575617610 PUXUOJBOVAULBH-WBVHZDCISA-N 374.510 2.376 0 40 FEAB CN(C(=O)[C@@H]1CC=CCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594335 YGZFAYUHVVUNMO-OAHLLOKOSA-N 366.469 2.395 0 40 FEAB O=S(=O)(C1CC1)N1CCN(Cc2ccccc2Br)CC1 528612271 UDINNUVVEMNXRY-UHFFFAOYSA-N 359.289 2.059 0 40 FEAB CCc1cnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)nc1 2298048310 ZJNBQYIIQJKBOL-UHFFFAOYSA-N 352.442 2.109 0 40 FEAB Brc1ccc(N2C[C@@H]3CN(c4nncs4)C[C@H]3C2)nc1 2298178380 JGEYOJRXTUEVPH-NXEZZACHSA-N 352.261 2.268 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 40159632 YYWHOFVTGVAWMO-MSOLQXFVSA-N 369.465 2.090 0 40 FEAB C[C@H](NC(=O)c1ccccc1OCc1cn2ccccc2n1)C(=O)N(C)C 40121194 LCXZHOPZEQFXAM-AWEZNQCLSA-N 366.421 2.120 0 40 FEAB O=C(CN1CCCN(c2ncnc3cc(Cl)ccc23)CC1)N1CCCC1 32765340 PXPXKDPDTOKVNW-UHFFFAOYSA-N 373.888 2.418 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C1=O 21553643 XIOSSVQSWHFOMC-HNNXBMFYSA-N 367.283 2.410 0 40 FEAB CCn1c(SCC(=O)NCCc2cccs2)nc2ncccc2c1=O 32876510 DVNZHLDQZZFMPH-UHFFFAOYSA-N 374.491 2.324 0 40 FEAB O=C1CN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2Cl)CCN1 32916654 GXIWVQMLFQWKMK-UHFFFAOYSA-N 373.796 2.257 0 40 FEAB CC(C)(C)n1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cn1 52805882 BRGQGEVQGJUAMU-UHFFFAOYSA-N 372.444 2.304 0 40 FEAB Cn1/c(=N\C(=O)Cn2cnc3sccc3c2=O)sc2ccccc21 102836976 PUMGGANLQIBAPA-FBMGVBCBSA-N 356.432 2.139 0 40 FEAB CCN(CC)C(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325412 CXCGZOYUVXEOQO-LBPRGKRZSA-N 367.496 2.453 0 40 FEAB CS(=O)(=O)N(CCCC(=O)Nc1cccnc1)c1ccc(F)cc1 7504991 OBAIFBHPANPASX-UHFFFAOYSA-N 351.403 2.406 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCC[C@@H](C)C3)CC2=O)cc1 28831870 WDWIXGHKOJDNEA-HZPDHXFCSA-N 358.438 2.150 0 40 FEAB COc1ccc([C@]2(OC)Oc3cc(OC)ccc3C(=O)[C@@]2(O)OC)cc1 1674547 BBLDREXMAWMDML-MOPGFXCFSA-N 360.362 2.113 0 40 FEAB Cc1cc(NC(=O)CSc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 29270357 UMTGDQRQAJYRSH-CYBMUJFWSA-N 365.480 2.282 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2NC1=O 32772915 CHHRRNORVVBOFS-RISCZKNCSA-N 369.377 2.242 0 40 FEAB COCCOc1ncccc1C(=O)N[C@@H](c1nnc2ccccn12)C(C)C 60360061 RGNPGDXIKLQRSL-MRXNPFEDSA-N 369.425 2.277 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1 32744490 ONHCPLLXPBFVDY-GOSISDBHSA-N 366.417 2.328 0 40 FEAB Cc1cc([C@H]2CCCN2CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)on1 32932614 HCBIOUFJKYBQSC-CYBMUJFWSA-N 369.377 2.078 0 40 FEAB COC(=O)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52957973 JFAPURLRQFNMRI-UHFFFAOYSA-N 359.344 2.433 0 40 FEAB CC(=O)N1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 12321624 MHAPXUPRPVGRSY-UHFFFAOYSA-N 364.243 2.095 0 40 FEAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(C[C@@H]1CCOC1)C3 100182221 RFYDAUGPZYQNIN-ZDUSSCGKSA-N 354.410 2.398 0 40 FEAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 12536042 GGAZVEIAFUFMQS-UHFFFAOYSA-N 374.418 2.151 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2cc(Cl)sc2Cl)CC1 24778109 HRSTURXVFCUVNI-UHFFFAOYSA-N 357.284 2.162 0 40 FEAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1 1458418 KLMPYPTZCHNFBZ-QGZVFWFLSA-N 350.484 2.241 0 40 FEAB CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2091766 NYJXDEFJAKVHJE-ABAIWWIYSA-N 361.394 2.492 0 40 FEAB biogenic CCOC(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 58183598 INYBSIWVLWZIKQ-VIFPVBQESA-N 358.441 2.122 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCCc2ccccc21 58169436 LONYEEZTQFQQEX-UHFFFAOYSA-N 351.450 2.494 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1 3334112 WXWAEKGUDCKITB-QGZVFWFLSA-N 359.403 2.089 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 58245732 KMOIGDCMRHRCGM-INIZCTEOSA-N 370.428 2.276 0 40 FEAB COc1ccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 58202123 NSEFUWVZFJUJHH-UHFFFAOYSA-N 350.415 2.341 0 40 FEAB CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 58203404 KYHNLLIHZKUOJW-GFCCVEGCSA-N 362.451 2.256 0 40 FEAB CCCC(=O)NC[C@@H]1CCCN(C(=O)COCCOc2ccccc2)C1 58323425 IWQIYNGDMPAQQY-KRWDZBQOSA-N 362.470 2.237 0 40 FEAB C[C@@H](NC(=O)NCCC(=O)N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 45123382 RVDQCEWNMUPUGK-CQSZACIVSA-N 372.469 2.408 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1cccc(N2CCCC2=O)c1 48354011 HXIKARUXEMHBON-UHFFFAOYSA-N 353.426 2.061 0 40 FEAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12934876 VTWBQCYQAHNXQI-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1 12910876 KWHHSWHQRZXHRQ-UHFFFAOYSA-N 358.467 2.409 0 40 FEAB COC(=O)CNC(=O)COc1c(C)cc(Br)cc1Cl 8265359 SENCWJUMNITEGT-UHFFFAOYSA-N 350.596 2.079 0 40 FEAB Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c1 13077083 DDODDIHGUDLMEE-UHFFFAOYSA-N 374.462 2.200 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(C(=O)O)cc1 13317258 HMWGDWIIBPPYII-UHFFFAOYSA-N 352.390 2.371 0 40 FEAB O=C(Cn1c(NCCCO)nc2ccccc21)c1ccc2c(c1)OCO2 13425476 SWPPHLGKURCJLL-UHFFFAOYSA-N 353.378 2.442 0 40 FEAB O=C(CSc1nnc(-c2ccco2)o1)NC[C@H]1COc2ccccc2O1 5215893 SCRLVKGDLRPSOK-NSHDSACASA-N 373.390 2.378 0 40 FEAB CNc1ccccc1C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 5406960 JYFJPYKUPNIZKQ-LBPRGKRZSA-N 356.378 2.319 0 40 FEAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NCc1ccco1 4676783 GTIGDAAKZAQHIG-UHFFFAOYSA-N 359.401 2.164 0 40 FEAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)OC 6788960 SRYNVSKICOIQPG-UHFFFAOYSA-N 368.386 2.269 0 40 FEAB CCCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)N3CCCC3)C2=O)cc1 9608757 NGEUIQYZHPLFHK-VBKZILBWSA-N 357.454 2.417 0 40 FEAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 8988038 AXECKPSWDWNQOU-GOSISDBHSA-N 356.382 2.087 0 40 FEAB CC[C@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9313484 JFUBINVJSYNTKW-NSHDSACASA-N 357.439 2.116 0 40 FEAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cccc(Cl)c1Cl 9496169 QFXYWHUCRNAXHD-YFKPBYRVSA-N 359.242 2.462 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CC(F)(F)C3)C2)cs1 306145019 ZVBWCICJZAEJBQ-AWEZNQCLSA-N 367.425 2.073 0 40 FEAB Cn1nc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)ccc1=O 76176766 XVELQGAPXITVEE-UHFFFAOYSA-N 353.422 2.300 0 40 FEAB COC(=O)[C@H](CCN1CCCCC1)NC(=O)CO[C@@H]1CCCC[C@@H]1C 72306529 CZSRBZWVAKYXSE-YESZJQIVSA-N 354.491 2.116 0 40 FEAB CC(=O)N[C@H](CC(=O)N(CC(=O)O)Cc1ccccc1)c1ccccc1 95424489 IEMPDZQTADVZCD-GOSISDBHSA-N 354.406 2.367 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(N)c2)c1 78999570 PFFGZAXYDRMMKW-NSHDSACASA-N 374.393 2.479 0 40 FEAB Cc1nnnn1-c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 95941800 PNGHBCYBHZGIRS-UHFFFAOYSA-N 350.411 2.311 0 40 FEAB CCn1nc(C)c(CNS(=O)(=O)c2ccc(Br)o2)c1C 95939943 YQXFAENNNDYROP-UHFFFAOYSA-N 362.249 2.354 0 40 FEAB Cc1ncncc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 554654816 GMWBYZICISEPIB-AUUYWEPGSA-N 353.426 2.314 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@H]4CCCO4)c3)C(=O)[C@@H]21 408673216 QICFCSVZIFAVFZ-NKGKWGDASA-N 368.433 2.297 0 40 FEAB Cc1cc(F)ccc1C(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306132997 LYNMZEBAPUMJGU-IAOVAPTHSA-N 356.401 2.123 0 40 FEAB CCOc1cc(Br)c([C@H]2CC(=O)N=C3N=CNN32)cc1OC 409377913 KMCNAEJMFJPZEH-SNVBAGLBSA-N 367.203 2.032 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c(Cl)cc1F 527560244 MQZUAUKZXDUQHU-BFVZDQMLSA-N 352.797 2.190 0 40 FEAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218641671 VMUCPUKAESXWIB-JYJNAYRXSA-N 355.818 2.109 0 40 FEAB COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cnn(C)c3n2)cc1 36613341 MEIDXEAORPTGPP-UHFFFAOYSA-N 352.394 2.116 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)N1CCOC[C@@H]1c1ccccc1 73568741 XGTRMTGMCMVRAU-QGZVFWFLSA-N 369.469 2.330 0 40 FEAB Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1NS(C)(=O)=O 44337490 DHXWUZGYOJOSCM-UHFFFAOYSA-N 361.467 2.233 0 40 FEAB NCC1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218057825 LKQRYSGABRKABZ-CVEARBPZSA-N 350.871 2.184 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCC(=O)N2 40012882 DUWDYDNAXXGJJB-UHFFFAOYSA-N 362.389 2.080 0 40 FEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCC3)s2)c1 222828297 LPEVBHOAZJYFJA-UHFFFAOYSA-N 366.468 2.273 0 40 FEAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)[nH]1 223163600 HYLRDCCUTCLVBQ-ROUUACIJSA-N 371.510 2.023 0 40 FEAB O=C(NCc1cccs1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101300 QYGIOMYWHGRBJO-UHFFFAOYSA-N 369.450 2.063 0 40 FEAB COc1ccc(C(=O)N[C@@H](CO)CCSC)cc1-n1nc(C)cc1C 230213832 CHXYBYNTGUBLJV-OAHLLOKOSA-N 363.483 2.342 0 40 FEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)cs1 96050926 WXEWTDVKOILMHH-SFHVURJKSA-N 356.451 2.111 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96065013 QYXIRPYNGOWEOP-FUHWJXTLSA-N 352.500 2.338 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 248006966 GYXVXMKBWYUDDB-MRXNPFEDSA-N 369.421 2.003 0 40 FEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccc(OC)cc2)CC1 257231767 GICQXSIRLQHSIA-QUCCMNQESA-N 373.497 2.159 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C(=O)NC(C)C)CCN3C(C)(C)C2)cc1 253401570 NHPKYLDTKDRAKD-GOSISDBHSA-N 374.529 2.394 0 40 FEAB biogenic,in-vitro Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n1 257219553 DHFSPMDIPGCNSB-ZDUSSCGKSA-N 351.765 2.497 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ncccn3)CC2)C1 257252575 JVFZIRXFUSDFQV-KRWDZBQOSA-N 352.438 2.377 0 40 FEAB Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)c1 257294822 QVWPQWJNRUHUCO-MAZHCROVSA-N 365.430 2.037 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1CCN(C[C@H](O)c2ccco2)CC1 85436711 JTQFUXCYKZWKPH-AWEZNQCLSA-N 357.366 2.019 0 40 FEAB Cn1cc(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(-c2cccnc2)n1 623767839 AHMWDYSXCYKFRS-HNAYVOBHSA-N 352.442 2.463 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)c1 664430029 MCDCOAREULSRKD-DGCLKSJQSA-N 374.890 2.156 0 40 FEAB COc1ccc(NC(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)c(OC)c1 390829373 YENVMMQWVVPRDE-HNNXBMFYSA-N 374.393 2.330 0 40 FEAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 585102866 LLUFLOZJESVRSQ-MRXNPFEDSA-N 352.438 2.092 0 40 FEAB CCCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 585095290 NOVGJNFMJHAOGD-CQSZACIVSA-N 353.419 2.025 0 40 FEAB Cc1cccc([C@H](NS(=O)(=O)c2c(C)nn(C(C)C)c2C)C(=O)O)c1 548531438 XKIXRFWSTBBYNU-HNNXBMFYSA-N 365.455 2.493 0 40 FEAB CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccccc1Br 40692178 UHRAGLGRTSRJAT-UHFFFAOYSA-N 362.245 2.165 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)o1 3459047 IUECBZZQBDMXOS-VOTSOKGWSA-N 366.464 2.196 0 40 FEAB Cc1cc(O[C@@H](C)C(=O)NCCCO)c2c3c(c(=O)oc2c1)CCCC3 5270725 ZSTBPTIAWVEDDA-ZDUSSCGKSA-N 359.422 2.246 0 40 FEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnc(C)cn1 12185221 BNYKQWAVERKBCL-ZDUSSCGKSA-N 369.450 2.279 0 40 FEAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16637280 ZGJPHTCCYBLMKK-LLVKDONJSA-N 362.879 2.274 0 40 FEAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 16637298 QQZJQSOVSVMZPF-CQSZACIVSA-N 356.488 2.319 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@H]2CCCOC2)n1 19457468 FOBNWFYHHYXPLZ-NWDGAFQWSA-N 351.838 2.262 0 40 FEAB CC1(C)NC(=O)N(CC(=O)NCC2(c3ccccc3F)CCCC2)C1=O 19460050 YTXXSXRBVRGPNJ-UHFFFAOYSA-N 361.417 2.084 0 40 FEAB CN(Cc1cc(C2CCNCC2)nn1C)C(=O)Cc1ccc(N(C)C)cc1 19710128 SXPRDUIBAOIQGR-UHFFFAOYSA-N 369.513 2.154 0 40 FEAB CNc1cc(CN(C)C(=O)COc2ccc(F)cc2)nc([C@@H]2CCCN2)n1 19760752 UFKOQWXCJAEBDY-INIZCTEOSA-N 373.432 2.119 0 40 FEAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Br)o1 8477192 YYICBEFXDDEAAI-JXMROGBWSA-N 353.172 2.447 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccccc1Cl 5873886 LCBNZXJKJKKOMW-UHFFFAOYSA-N 366.801 2.127 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1C 6205727 NUJYEPJRICGCLY-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 10373091 JNBWHPQQXVPIHY-UHFFFAOYSA-N 358.463 2.446 0 40 FEAB Cc1n[nH]c(C)c1C(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888879261 KJEDEFJORDZGCR-UHFFFAOYSA-N 354.414 2.000 0 40 FEAB CC(C)N1C[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)COCC1=O 2037985302 FDHDIIKAANZEDU-FQEVSTJZSA-N 362.445 2.244 0 40 FEAB CSc1ccccc1NC(=O)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 2056224502 KUVCDBCTXCIXOA-GJZGRUSLSA-N 371.466 2.320 0 40 FEAB O=C(c1cnn2ccccc12)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1 1565553381 WQGSXZVBJSINAB-OXQOHEQNSA-N 354.454 2.194 0 40 FEAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1 1506497 QCNQNXBDLDTGKB-UHFFFAOYSA-N 368.484 2.383 0 40 FEAB COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1OC 4721327 LWAGRRVQCVCIEX-ZDUSSCGKSA-N 365.389 2.494 0 40 FEAB Cc1nc2sccn2c(=O)c1NC(=O)c1cc2ccccc2oc1=O 8931662 ZHSDBRROCGQAPL-UHFFFAOYSA-N 353.359 2.423 0 40 FEAB Cc1ccccc1OCC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714654 MHQGHOQKVWULDE-UHFFFAOYSA-N 368.433 2.414 0 40 FEAB O=C(CCc1ccccc1F)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055750846 DVFROGNIXAMQSP-PMACEKPBSA-N 369.440 2.265 0 40 FEAB O=C([C@H]1CN(c2ncc(Br)cc2Cl)CCO1)N1CCCC1 2086868870 UDMUOECOYNXDKD-GFCCVEGCSA-N 374.666 2.325 0 40 FEAB CCCC(=O)N1CCC[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)C1 40156600 NGBDLNILVXOLNI-INIZCTEOSA-N 362.470 2.401 0 40 FEAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4nonc4C)CC3)c2c1 32091842 ZJWYHHFCNDTBRW-SFHVURJKSA-N 369.425 2.111 0 40 FEAB CC(C)[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)Nc1cccc2ncccc12 51570612 WCFXFALKVQYQNG-ACJLOTCBSA-N 369.421 2.267 0 40 FEAB CCN(C(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)c1ccccc1 4999876 WKODQWRBNHBJJH-UHFFFAOYSA-N 351.406 2.236 0 40 FEAB Cc1cccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1N 6993648 BHAKJRFNFUYCBT-GOSISDBHSA-N 354.406 2.334 0 40 FEAB COC(=O)c1ccccc1NC(=O)N1CCN(CCc2ccccn2)CC1 20736903 YDCAOHFUUYYODK-UHFFFAOYSA-N 368.437 2.260 0 40 FEAB CC[C@@H](C)N1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974692 IMYDKAGNDDQJCW-FRGNPEFRSA-N 359.401 2.214 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 29874593 UBAYEJLMBKMLSN-SFHVURJKSA-N 355.417 2.358 0 40 FEAB CC(=O)N(C)c1ccc2n(c1)cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 633455 HNWBLWRWFHIVLS-UHFFFAOYSA-N 367.429 2.474 0 40 FEAB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H]1c1cccc(F)c1 67384307 KWRQAJQNDXAOHW-OCCSQVGLSA-N 351.359 2.349 0 40 FEAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cccc(F)c1 22822400 RLNOXRVMLWXJJW-UHFFFAOYSA-N 357.429 2.461 0 40 FEAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 23147662 MNCDCLFAJYSODU-SFHVURJKSA-N 373.403 2.386 0 40 FEAB COc1cc2[nH]c3c(=O)n(CC(=O)NCCC(C)C)cnc3c2cc1OC 23125999 STNVIFIOOFSGGZ-UHFFFAOYSA-N 372.425 2.057 0 40 FEAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CC(=O)Nc2ccccc21 15461393 KOZPKROFGBDABJ-LBPRGKRZSA-N 353.378 2.244 0 40 FEAB CCOC(=O)c1sc2ncn(CC(=O)O[C@@H](C)CC)c(=O)c2c1C 921184 VKNNQNFMDZJZMJ-VIFPVBQESA-N 352.412 2.285 0 40 FEAB O[C@H](CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 24097435 DYPAECYSEUIZBH-LJQANCHMSA-N 354.450 2.309 0 40 FEAB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(F)cc1F 47383439 ARKRKNJHGTUBLE-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB O=C1C(=O)N(CN2CCc3ccccc3C2)c2cc3c(cc21)OCCCO3 24573938 RPBJZYSWWCKDCY-UHFFFAOYSA-N 364.401 2.393 0 40 FEAB CCOc1cccc(N2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)n1 106705817 UPIMPVUIMODRNO-UHFFFAOYSA-N 371.485 2.474 0 40 FEAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 25231534 JEUPDVKFJWJMKM-UHFFFAOYSA-N 368.368 2.407 0 40 FEAB CCN(CC)[C@@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 106920717 JYSRBIVQRLSWPA-HUUCEWRRSA-N 353.457 2.428 0 40 FEAB COc1cc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc(OC)c1 57520974 UQIVQXURSQMNFZ-UHFFFAOYSA-N 374.422 2.308 0 40 FEAB Cc1nc(SCC(=O)NC[C@H]2COc3ccccc3O2)nc(C)c1C 7294079 UBPHODLJOWSBBG-AWEZNQCLSA-N 359.451 2.450 0 40 FEAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)CO 80350724 OWMFCNSHRAKQRP-OXJNMPFZSA-N 368.477 2.456 0 40 FEAB NC(=O)CN1CCC(NC(=O)c2ccc(-c3ccccc3F)s2)CC1 48272701 LSEFDDRMOROKKA-UHFFFAOYSA-N 361.442 2.234 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 7526794 YLYKCDUSKMQOFO-GOSISDBHSA-N 356.430 2.174 0 40 FEAB COc1ccc(OC)c(NC(=O)N2CCN(Cc3ccccn3)CC2)c1 13325192 RUPISQHPDUSEIE-UHFFFAOYSA-N 356.426 2.449 0 40 FEAB CC(C)(C)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832374 PKDGXHGHQHBLGX-CYBMUJFWSA-N 360.863 2.172 0 40 FEAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5090704 FTDDMYORFGHLSS-NSHDSACASA-N 351.362 2.451 0 40 FEAB Cc1cc(O[C@H](C)C(=O)NCCCO)c2c3c(c(=O)oc2c1)CCCC3 5270730 ZSTBPTIAWVEDDA-CYBMUJFWSA-N 359.422 2.246 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1F 8176804 RMPROBWNWVARJZ-QMMMGPOBSA-N 366.370 2.179 0 40 FEAB C[C@H]1CN(Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)CCO1 14135346 KEDJWTJPDMMLJJ-WFASDCNBSA-N 362.455 2.142 0 40 FEAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cnc(Cl)c(Cl)c1 5452163 HBZIVYHJAFSVTC-UHFFFAOYSA-N 371.209 2.165 0 40 FEAB COC(=O)[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 83884361 GXLSYWIIAKIADD-QGZVFWFLSA-N 373.840 2.407 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)Cc1n[nH]c(=O)c2ccccc12 8673100 FGMVVAFWZMJLGE-UHFFFAOYSA-N 366.373 2.420 0 40 FEAB CCc1cccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1 8737881 IVXCQYNYBFBSDZ-UHFFFAOYSA-N 352.394 2.356 0 40 FEAB COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 75613195 YKISHOTWDGEQDB-UONOGXRCSA-N 373.494 2.423 0 40 FEAB CN(C(=O)c1cccc2nc(O)oc12)c1ccc(N2CCOCC2)nc1 543610760 RAAAZTOPYKEMQI-UHFFFAOYSA-N 354.366 2.042 0 40 FEAB Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C 36616223 NRURZVCXFBWCPM-LBPRGKRZSA-N 352.442 2.417 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@@H]4CCCO4)c3)C(=O)[C@@H]2C1 408687378 USDNMOCIXBEOGD-OKZBNKHCSA-N 368.433 2.441 0 40 FEAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3cccc(Cl)c3Cl)C[C@]23C=C[C@H]1O3 4237639 RRDTTXDOBVEPKD-AZKPJATDSA-N 354.189 2.360 0 40 FEAB Cc1cc2c(o1)c1cnn([C@H](C)C(=O)NCc3ccncc3)c(=O)c1n2C 72335342 GWUPLIOGJIQBSK-GFCCVEGCSA-N 365.393 2.062 0 40 FEAB CCn1nc(C(=O)N[C@H](CCO)C2CCCCC2)c(=O)c2ccccc21 533845934 SUDZRELAJDHYIT-MRXNPFEDSA-N 357.454 2.478 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCOc1ccccc1)C2=O 39998464 JHLMUBNYENXLDZ-QRWLVFNGSA-N 373.453 2.072 0 40 FEAB C[C@@H](c1nccs1)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 185703408 IJTKHMKRLXYQEI-ZDUSSCGKSA-N 359.451 2.433 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 218393119 TWABFINPXPMDFF-SJORKVTESA-N 364.898 2.492 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2F)[C@@]2(N3CCOCC3)CCC[C@H]12 32912776 OGKHVMWUNALZGM-KUHUBIRLSA-N 361.417 2.393 0 40 FEAB CN(C)Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)[nH]n1 72258557 ZJIQHTVSZYBYAJ-CRAIPNDOSA-N 373.432 2.159 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(CCc2ccccc2)CC3)C[C@H](C)O1 72335559 KQXAHCMYRGGPLN-HOTGVXAUSA-N 368.481 2.397 0 40 FEAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217668519 CQPGFUBWYXRBFZ-VXGBXAGGSA-N 358.460 2.299 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2)ccc1C 225270170 RPBKFFAGGBOQAZ-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1 224219504 QHTCGNVBVMBMMI-UHFFFAOYSA-N 368.484 2.044 0 40 FEAB O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)[C@@H](O)C1CCCCC1 527356454 DDHBJSUPUJAUED-INIZCTEOSA-N 367.409 2.401 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(Cl)cc1 224358959 QYAGAVBVWCDWRU-UHFFFAOYSA-N 361.833 2.285 0 40 FEAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1 225899395 SGHMPSGGLIWESL-UHFFFAOYSA-N 363.409 2.419 0 40 FEAB O=C(N1CC[C@@H](Nc2ccc3nccn3n2)C1)C1(c2ccccc2F)CC1 576741717 UGNDUVONFUJDLS-CQSZACIVSA-N 365.412 2.613 0 40 FEAB O=C(c1cccnc1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96250860 QPBOONQEUZXVKR-KFKAGJAMSA-N 353.422 2.313 0 40 FEAB Cc1cccc(N2CCC[C@@]3(C2)CN(S(=O)(=O)C2CC2)CCO3)c1 96226256 WIPYJTMFAUIMFM-GOSISDBHSA-N 350.484 2.158 0 40 FEAB CC(C)Nc1ncnc2c1CCN(S(=O)(=O)c1cccs1)CC2 96255522 VJUXRALHOFWPSW-UHFFFAOYSA-N 352.485 2.148 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 96048682 PTKDTYNGLDGZEP-NRFANRHFSA-N 364.449 2.440 0 40 FEAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(C(=O)c1ccncc1)CC2 96254170 ZICRFEZCLSSKKC-UHFFFAOYSA-N 352.442 2.465 0 40 FEAB O[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 96327243 BDNIQCYVYFGHSI-ZBLLQYKHSA-N 360.431 2.340 0 40 FEAB CC1CCN(Cc2ccccc2CNC(=O)[C@H](O)C2CCOCC2)CC1 583599013 GCOJDASECTVUDV-HXUWFJFHSA-N 360.498 2.322 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3ccnnc3)C2)n1 257233446 GPHIKNBHNIMPQO-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB Cc1ccc(-n2nc(C(=O)N3CCNC[C@@H]3c3nccn3C)cc2C)cc1 584715363 JBEDDEHGMVJHMU-GOSISDBHSA-N 364.453 2.009 0 40 FEAB Cc1nc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)cs1 257277311 NXKUGEZMHDJPHM-YOEHRIQHSA-N 373.478 2.166 0 40 FEAB CCOc1cc(Cc2noc(Cn3cnnc3O)n2)ccc1OC(F)F 585084103 ISWBXLPYHJAKHL-UHFFFAOYSA-N 367.312 2.006 0 40 FEAB Cc1noc(COC2CN(C(=O)[C@H](C)Oc3ccccc3Cl)C2)n1 644211080 ZJFDSXCNQPKHIM-JTQLQIEISA-N 351.790 2.226 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cncn21 575405512 IRHOZCVHRZTKPN-GOSISDBHSA-N 363.421 2.088 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3ccco3)[C@@H]3OCC[C@@H]32)c1 585109691 ZYKZWXJNCVKWJQ-FHWLQOOXSA-N 368.433 2.442 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2O1)NCc1cccs1 585109359 LVHZEHLNKDWUFC-KCQAQPDRSA-N 366.458 2.263 0 40 FEAB O=C(C1CCCC1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 85472243 QSSFZRKYIDIUKH-UHFFFAOYSA-N 352.442 2.454 0 40 FEAB CCCN1CC[C@H]2CC(=O)N(C)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534612508 HNSAVHGCWAQPDA-BZSNNMDCSA-N 354.535 2.381 0 40 FEAB Fc1ccc2c(c1)nnn2C1CCN(C(=S)NC[C@@H]2CCCO2)CC1 5015732 HWYMOYCLCNPDEI-AWEZNQCLSA-N 363.462 2.261 0 40 FEAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2ccccc2)no1 12562143 ZBAGJAUURZGFKO-GFCCVEGCSA-N 370.434 2.335 0 40 FEAB Cc1c(NC(=S)NCc2cccnc2)c(=O)n(-c2ccccc2)n1C 12624174 NFQZUKGMGXBKJS-UHFFFAOYSA-N 353.451 2.366 0 40 FEAB C[C@H]1CCc2c(sc3ncnc(NC4CCN(CC(N)=O)CC4)c23)C1 14729192 ICIAVXXNEVQTKB-NSHDSACASA-N 359.499 2.178 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(C)cc2)c1 14803466 SLWOADLZASGCNJ-UHFFFAOYSA-N 364.492 2.425 0 40 FEAB Cc1ccc(C(=O)N2CCO[C@H](c3nc(-c4ncccn4)no3)C2)cc1 19135476 LMOASOVMVBIJIL-AWEZNQCLSA-N 351.366 2.049 0 40 FEAB CCn1cncc1C(=O)N1C[C@H]2CCc3nnc(-c4ccccc4)n3[C@H]2C1 19578471 KZSHDMKLVBHXGK-WBVHZDCISA-N 362.437 2.421 0 40 FEAB COC[C@H](C)NC(=O)CN1CCc2nc(-c3ccccc3F)sc2C1 19719890 HLBCAXZNRWYWDY-LBPRGKRZSA-N 363.458 2.458 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)N1CCCC1 205868598 SXTPUNULIAOLLW-RIYZIHGNSA-N 360.391 2.074 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NC[C@@H]1COc2ccccc2O1 4956599 PUKCACHHYJQLIB-OAHLLOKOSA-N 367.357 2.128 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)NC2CCOCC2)C3)nc1 1888853491 NGQBGRXJHVJAQD-HNAYVOBHSA-N 360.458 2.155 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Oc2cccc(C)c2)cc1 25452337 VOLMBJKWSSQRCC-UHFFFAOYSA-N 361.419 2.424 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253472246 KWLOTIPJLHWOMR-KBPBESRZSA-N 362.455 2.152 0 40 FEAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)c3cc(C4CC4)on3)C[C@H]12 1565555606 LFPRVUVBQULOKO-CLCXKQKWSA-N 356.426 2.401 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565542534 MPJSMOFHFDFCFT-RXVVDRJESA-N 350.418 2.154 0 40 FEAB CCCCS(=O)(=O)NCCNc1ccc(Nc2cc(C)ccn2)nn1 11696847 QEQJOYIPOFXSOF-UHFFFAOYSA-N 364.475 2.055 0 40 FEAB O=C(COc1ccccc1F)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598255 ACBXYPKWIHFFNF-UHFFFAOYSA-N 368.412 2.425 0 40 FEAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)n1 575615362 DBNGEKLIZIWPHX-HNNXBMFYSA-N 371.466 2.174 0 40 FEAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)n[nH]1 21096444 JHMDDIAPPFOJKN-UHFFFAOYSA-N 374.216 2.150 0 40 FEAB Cc1nc(-c2ccc(CC(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2)cs1 40073639 DOTRWMPMLYJZEJ-KRWDZBQOSA-N 364.492 2.354 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)Oc2cccc(-c3nnco3)c2)c1 40153307 HBEUSVVPMFLYBC-UHFFFAOYSA-N 359.363 2.327 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1N1CCCC1=O 30521930 WITASJJVYKWBGG-KGLIPLIRSA-N 358.394 2.428 0 40 FEAB Cc1cc(C)c2nc(NC3=NCN(C[C@H]4CCCO4)CN3)nc(C)c2c1 19330266 HOWADJHXBXKPSZ-OAHLLOKOSA-N 354.458 2.322 0 40 FEAB CCOC(=O)N[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)C(=O)OCC 4697662 NMKWGZMXCDQCLY-HNNXBMFYSA-N 367.398 2.225 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 6742361 XULZDKXICHYGDJ-ATLSCFEFSA-N 360.429 2.217 0 40 FEAB NC(=O)c1cc2c(nc1NC[C@@H]1CCCN(c3ccccn3)C1)CCC2 32561074 BNULYCFUFCGTDT-AWEZNQCLSA-N 351.454 2.393 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8164795 HNLRNAJZOWFBLD-UHFFFAOYSA-N 358.463 2.283 0 40 FEAB Cc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)[nH]c2c1 32818021 HDMIMSLAWFAHEC-MRXNPFEDSA-N 355.438 2.187 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nc[nH]n3)cc2)cc1 23142816 NUBCITNJWZENQA-UHFFFAOYSA-N 371.422 2.191 0 40 FEAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(-n2cncn2)nc1 46714172 KOWSMYNGJCFDGD-AWEZNQCLSA-N 363.421 2.235 0 40 FEAB O=C(C[C@@H]1Sc2ncnn2C1=O)Nc1ccc(Br)cc1 959013 QSVDRGTXPDNZQZ-VIFPVBQESA-N 353.201 2.184 0 40 FEAB aggregator Cc1ccn(-c2ccc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc2)n1 46824841 UQOJIJHGHHBZHK-UHFFFAOYSA-N 352.438 2.312 0 40 FEAB Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)[nH]c(=O)c2[nH]1 57521158 WRFYQNFIJFWHBP-CYBMUJFWSA-N 354.435 2.455 0 40 FEAB CCN(CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(C)C 24991181 QSTWVOGCHUHWMT-HNNXBMFYSA-N 370.519 2.212 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 104209536 ZJEUUDOBFLQKBE-HXXCKNJQSA-N 373.412 2.226 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cn1 12551531 VDFBRZLBZYQTOW-ZDUSSCGKSA-N 355.394 2.399 0 40 FEAB O=S1(=O)N[C@@H]2N(Cc3ccccc3C23CCOCC3)c2ccccc21 1806956 SUWGOYUFZOHNRE-GOSISDBHSA-N 356.447 2.373 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C1CC1 3294471 ZGJOYLIWJOPRDQ-UHFFFAOYSA-N 368.260 2.363 0 40 FEAB O=C(Nc1ccn(Cc2ccncc2)n1)c1cccc(N2CCNC2=O)c1 58218247 GPOCVNBFMPIWJW-UHFFFAOYSA-N 362.393 2.108 0 40 FEAB Cc1c(NC(=O)COc2ccccc2O)c(=O)n(-c2ccccc2)n1C 3251720 MPBCPGPLBNITAU-UHFFFAOYSA-N 353.378 2.208 0 40 FEAB O=C(NC(=S)N1CCCC[C@@H]1CO)c1ccccc1Br 3281428 QVDXXDBDQAQCTN-SNVBAGLBSA-N 357.273 2.311 0 40 FEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 3273729 KTPDGFJCPNBCHO-UHFFFAOYSA-N 370.405 2.305 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc2N1 12601844 GSZCYEPLIYSCJS-UHFFFAOYSA-N 367.333 2.046 0 40 FEAB CC1CCC(NC(=O)OC(C)(C)C)(C(=O)OCCN2CCOC2=O)CC1 58598670 KHBNXIDBRNIQDT-UHFFFAOYSA-N 370.446 2.455 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1F 36397239 BKGMIYWIWQFMJP-HNNXBMFYSA-N 371.412 2.236 0 40 FEAB CCOC(=O)c1sc2nc(CSCCC(=O)O)[nH]c(=O)c2c1C 3355864 SBIMPOJDWIZPDA-UHFFFAOYSA-N 356.425 2.178 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 3323532 JCICERLHOMSMQN-DGCLKSJQSA-N 362.492 2.140 0 40 FEAB NC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCCC2 3323177 JMQXYCTUBHASQC-UHFFFAOYSA-N 363.464 2.090 0 40 FEAB Cc1ccc(OCCNC(=O)CCn2ncc(=O)c3ccccc32)cc1 8332210 SQMCXCNZFVAXSC-UHFFFAOYSA-N 351.406 2.290 0 40 FEAB COc1ccc(-c2nc(C/C(O)=N/S(C)(=O)=O)cs2)cc1OC 48479758 LMOBPAYEIWMICF-UHFFFAOYSA-N 356.425 2.286 0 40 FEAB O=C(NCC(=O)OCc1cc(F)cc2c1OCOC2)NCc1ccccc1 12927225 GKLPSYRILMKTEH-UHFFFAOYSA-N 374.368 2.235 0 40 FEAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1F 12931149 HXLYEHFJJMMIAT-ZDUSSCGKSA-N 366.414 2.047 0 40 FEAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 12938145 KRKYAFLGEIRCBR-UHFFFAOYSA-N 358.741 2.401 0 40 FEAB CCN(CC)c1cc2c(cc1NC(=O)c1ccncc1)n(C)c(=O)n2C 408532215 MEBGOEFIJSZMNT-UHFFFAOYSA-N 353.426 2.371 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C(=O)O 13393226 JXRLODGUPOIULG-UHFFFAOYSA-N 368.389 2.232 0 40 FEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4392806 WTWLEQBDXQRFEX-NSHDSACASA-N 362.403 2.012 0 40 FEAB CCOc1ccccc1OCC(=O)N(CCC(N)=O)Cc1ccccc1 14018221 IHSQZMIXZWUXCX-UHFFFAOYSA-N 356.422 2.368 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N1CCS[C@@H]1c1ccccc1F 14134928 WKSACEOUAVNXNV-GOSISDBHSA-N 370.409 2.205 0 40 FEAB Cn1cc(C(=O)NS(=O)(=O)N2CCc3ccccc32)c2ccccc21 6671799 FNYZOQXTYQULKD-UHFFFAOYSA-N 355.419 2.216 0 40 FEAB O=C(CSc1nc2ncc(Br)cc2[nH]1)NC[C@@H]1CCCO1 6909120 MWGGGPHTLZIZDI-VIFPVBQESA-N 371.260 2.108 0 40 FEAB CCCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7042162 SIKGBNBLSXRXJC-UHFFFAOYSA-N 374.466 2.449 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12 16045342 WNEYDXXMXXMJOU-ZDUSSCGKSA-N 350.374 2.440 0 40 FEAB CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 7778691 HDMUUJRFKICPLC-INIZCTEOSA-N 367.467 2.084 0 40 FEAB CN1CCN(c2cc3[nH]c(O)nc3cc2NC(=O)Cc2ccccc2)CC1 408536988 YSKAMCRDYZZICV-UHFFFAOYSA-N 365.437 2.202 0 40 FEAB Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 9254964 PRTWPSBRWIUBAQ-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB Cc1sc2ncn(CC(=O)NCc3cn4ccccc4n3)c(=O)c2c1C 9318943 VYBLZTPPPRRXAT-UHFFFAOYSA-N 367.434 2.039 0 40 FEAB Cc1oc2nc(CSc3nnnn3-c3ccc(O)cc3)nc(N)c2c1C 84061863 UNROBKOSJVRQAY-UHFFFAOYSA-N 369.410 2.395 0 40 FEAB CC1(C)C[C@@H](NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CCO1 79190364 PYKWQTVARNTDKH-SWLSCSKDSA-N 359.426 2.241 0 40 FEAB biogenic CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)NS(=O)(=O)c1cccnc1 95954159 ABKYGECCVSVDPW-OAHLLOKOSA-N 370.377 2.268 0 40 FEAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1 408549538 ZQJWYLVWVAOWOP-MRXNPFEDSA-N 370.515 2.389 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 95947247 HMVGQAGQRRAVBM-HOTGVXAUSA-N 352.390 2.014 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218046481 JVEFSRVRWZLJPV-BJLQDIEVSA-N 373.474 2.443 0 40 FEAB CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 548263800 ZZAXBLFFVCPKOH-IAGOWNOFSA-N 363.435 2.246 0 40 FEAB Cc1cccc(Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)c1 32616542 OGCYLDJXVGZHGM-UHFFFAOYSA-N 358.401 2.310 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)nc1O 32902611 IDFVLLVRKGIBIR-UHFFFAOYSA-N 355.320 2.054 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 44904955 PUPVZPVOGNWVMF-CYBMUJFWSA-N 358.419 2.017 0 40 FEAB CN(c1cccc(C(=O)NC[C@@H]2CCCO2)c1)S(=O)(=O)c1ccccc1 224252642 XHEGOVOHZZIBMW-KRWDZBQOSA-N 374.462 2.421 0 40 FEAB COc1cc(N)c(I)cc1I 47843874 PBMVWEZIWGPXPX-UHFFFAOYSA-N 374.947 2.487 0 40 FEAB COc1ccccc1OCCNC(=O)c1ccc(N2CCOCC2)cc1 224123596 MTXPXDPTESCCQS-UHFFFAOYSA-N 356.422 2.341 0 40 FEAB Cc1nc(CN2CCCn3c(nc(CN4CCCC4)cc3=O)C2)cs1 96059577 DKHZCNMYSJSQCC-UHFFFAOYSA-N 359.499 2.010 0 40 FEAB CCOC(=O)C[C@H](NC(=O)CSc1cn[nH]n1)c1ccccc1Cl 95471385 UQMHXKKOROGDLO-LBPRGKRZSA-N 368.846 2.361 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ocnc2C)C3)n1 247851580 AOLQQODJAPYCJM-MRXNPFEDSA-N 357.410 2.277 0 40 FEAB CCn1cc(CN2CC3(C2)OCC[C@H]3CCOCc2ccncc2)cn1 249688278 IGBSYYRZDFITAI-LJQANCHMSA-N 356.470 2.496 0 40 FEAB Cc1c(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)sc2ncnc(O)c12 257342889 ZQMTUPLZVHMMHB-VOJFVSQTSA-N 374.466 2.369 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CO)cc1 252517022 YZCITRQNVYXEPP-IKGGRYGDSA-N 351.855 2.278 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 257284000 PAVBMGRXHWNUIW-CYBMUJFWSA-N 356.430 2.141 0 40 FEAB Cc1ccc2c(CC(=O)N3CCO[C@@H](c4nccnc4N)C3)coc2c1 257266848 MEVKHUQQRNGOLB-MRXNPFEDSA-N 352.394 2.256 0 40 FEAB Cc1cc(F)c2nc(O)cc(C(=O)N[C@H]3Cc4cnccc4NC3=O)c2c1 1637089053 VYKWHDDHZOBBBF-HNNXBMFYSA-N 366.352 2.076 0 40 FEAB Cc1cc(C)n(-c2cc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)ncn2)n1 90614264 UBHFYMFZSDVYDY-SCLBCKFNSA-N 365.393 2.446 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)[C@H]1CCc2ccccc2O1 575609014 RFLFTHWYFHWTNC-QGZVFWFLSA-N 351.406 2.218 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2ccnn21 585095345 PIZHIEUXBBOMLJ-AWEZNQCLSA-N 352.394 2.271 0 40 FEAB C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 96031374 QZZDSEJBNWOIRY-RIGLOAGCSA-N 372.461 2.010 0 40 FEAB in-vitro O=C(CSc1nnc2ccc(-c3ccccn3)nn12)NCc1ccco1 5187629 STCXIDFJXKVKSL-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1)n1nc(-c2cccs2)cc(N)c1=O 12181263 NTTNABBXFIHZLC-CYBMUJFWSA-N 368.462 2.474 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19348106 YHOJADWCBHERAH-HNNXBMFYSA-N 354.429 2.210 0 40 FEAB CCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCCC2)CC1 19501903 RIGDZTKWNUENHW-KRWDZBQOSA-N 350.511 2.111 0 40 FEAB CCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)COc3ccccc3OC)C2)n1 19522481 XMWMDQLULIIROA-AWEZNQCLSA-N 371.437 2.126 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCC1 5272636 FUAQZRPTZMJGHL-UHFFFAOYSA-N 350.440 2.060 0 40 FEAB O=C(CSc1nnc2n1CCCCC2)N1CCN(c2ccccc2)CC1 6097342 WTMPWBZMRUTBIV-UHFFFAOYSA-N 371.510 2.445 0 40 FEAB O=c1c2c3cccnc3sc2n(CC2CC2)c(=O)n1C[C@H]1CCCO1 1889149411 SJCNTAGBNQYLDX-GFCCVEGCSA-N 357.435 2.362 0 40 FEAB c1cnn(-c2ccc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nn2)c1 1889151291 JUBQBPAVKOEILY-UHFFFAOYSA-N 362.441 2.046 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)s1 14163609 BNJOVFYSCYROHO-AATRIKPKSA-N 366.464 2.196 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccccc2[nH]1 23054826 NMYFPFTWSLVFTO-UHFFFAOYSA-N 362.386 2.009 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838610 QZXMEAPWURODOD-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB CC1CCC(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)CC1 1565549316 UWPSLTFPOJSKAK-PAQOUXTFSA-N 361.486 2.344 0 40 FEAB Cc1cc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)no1 16980873 XWSAQBULKYYRCB-UHFFFAOYSA-N 370.413 2.057 0 40 FEAB O=C(C1=CCCCC1)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771514 DUKLTMCGOHMSND-FQEVSTJZSA-N 356.470 2.227 0 40 FEAB CC(C)c1ncnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1F 2298036512 ORKJISVKVBMSGQ-UHFFFAOYSA-N 361.421 2.135 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)n1 40106335 XYKNKAFRQULAMW-ZDUSSCGKSA-N 365.455 2.204 0 40 FEAB Cn1cc(-c2nc(C(=O)Nc3cccc(N4CCNC4=O)c3)cs2)cn1 40145330 ZQXKZZLFQGAAGF-UHFFFAOYSA-N 368.422 2.326 0 40 FEAB CCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)s1 30570190 DYFGZZFVMYYANC-UHFFFAOYSA-N 370.456 2.167 0 40 FEAB COc1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1OC 31031233 HIESBZINGFCPHU-UHFFFAOYSA-N 354.410 2.393 0 40 FEAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 7619335 FNDASALXKUWQKR-ZDUSSCGKSA-N 359.451 2.114 0 40 FEAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(=O)O)cc1 100780227 ORCNJKDZPXMATO-QGZVFWFLSA-N 364.361 2.380 0 40 FEAB Cc1nn(CC(=O)Nc2nccs2)c(C)c1I 1430649 ZYPBAZZFIJSOLY-UHFFFAOYSA-N 362.196 2.200 0 40 FEAB O=C(NCCC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O)OCC(F)(F)F 75108928 DCTPSNMRTUBKIT-NWDGAFQWSA-N 364.364 2.415 0 40 FEAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C1=O 4539438 CLTZTJKBOIWMHI-KURKYZTESA-N 370.380 2.319 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4553380 XGUCGICGJHWRSH-MHGIMSBQSA-N 352.390 2.025 0 40 FEAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccs1 4601286 FNYLRSXIHMTISW-UHFFFAOYSA-N 357.464 2.402 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ccccc3c2)cc1 6433477 FTKIOTMPSJCCMM-UHFFFAOYSA-N 354.431 2.460 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC(C)(C)CO)o2)c1 6883160 BLDPZUXDHZYHDJ-UHFFFAOYSA-N 361.394 2.380 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 7248379 RCIROAAFXWIIMC-OAHLLOKOSA-N 359.513 2.137 0 40 FEAB CCN(CCCNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 32795517 BHPQJHFRECLRTJ-UHFFFAOYSA-N 368.485 2.225 0 40 FEAB Cc1ccc(-c2noc(CCC(=O)NCC(=O)NCc3ccco3)n2)cc1 32781541 SREMIYJXPAZAFB-UHFFFAOYSA-N 368.393 2.003 0 40 FEAB C[C@@H]1NC(C(=O)NCc2ccc(F)c(Cl)c2)=NN(c2ccccc2)C1=O 60355557 DDSLKZAEYJLXPB-NSHDSACASA-N 374.803 2.434 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSCc2ccccc2)C1=O 21458357 NXOCECUDQRNREG-IBGZPJMESA-N 369.446 2.418 0 40 FEAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 52412273 QTLNHMVTVZPARA-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CC2)CCN(Cc2ccncc2)C3=O)cn1 108525244 WRKRYXMERSLKJN-HXUWFJFHSA-N 353.470 2.220 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 101976445 VGZWJHVJWKHDOQ-FSDCSDTHSA-N 354.406 2.384 0 40 FEAB O=C(CCOc1ccc(F)cc1)N1CCCN(C[C@H]2CCCO2)CC1 42392960 UJDGKQVLZMSGCB-GOSISDBHSA-N 350.434 2.308 0 40 FEAB CC(=O)N[C@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C 23549039 DCDRLEKDKNTYAM-KRWDZBQOSA-N 351.878 2.145 0 40 FEAB Cn1/c(=N\C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2ccccc21 104992841 RHPZXCIMTGLCIQ-SSCMRRTOSA-N 371.462 2.232 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2cccnc2)C(C)C)cc1 24841465 VCRKVDUVFNARJP-QGZVFWFLSA-N 361.467 2.009 0 40 FEAB O=C(Cn1cnnn1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 7981052 BJRGJRHWFIXQGE-UHFFFAOYSA-N 354.439 2.242 0 40 FEAB O=C(CCC1CCCCC1)N1CCN(C(=O)c2cnn3cccnc23)CC1 55900663 HTVCJSQUXLARLG-UHFFFAOYSA-N 369.469 2.374 0 40 FEAB Cn1c(=O)n(CC(=O)NCCOc2ccc3c(c2)CCC3)c2ccccc21 56009614 MQJCTBYMXULQGQ-UHFFFAOYSA-N 365.433 2.024 0 40 FEAB Cn1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1=O 44610754 YWUJCIHHITVJEN-UHFFFAOYSA-N 368.433 2.398 0 40 FEAB CC[C@](C)(NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)OC 58210082 BBHLZIPRWVRCNX-JXFKEZNVSA-N 360.454 2.305 0 40 FEAB C[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1 58245177 HBFDUHCPKPCGFY-HZPDHXFCSA-N 358.486 2.310 0 40 FEAB C[C@@H](C(=O)Nc1ncccn1)N1CCC(C(=O)Nc2ccccc2)CC1 58342934 FMDVSDJGNAICOW-AWEZNQCLSA-N 353.426 2.154 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 28325411 ANYGJEUJHVJXCE-GDXASINISA-N 354.859 2.384 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 3376977 PVLMOJKUCGLYHQ-UHFFFAOYSA-N 362.426 2.192 0 40 FEAB C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccn(C)c2)CC1 12766198 GAPXMWOHVURIPT-AWEZNQCLSA-N 351.447 2.232 0 40 FEAB CC(C)CCNC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48290879 MSMPQOVQEYHFJC-UHFFFAOYSA-N 362.499 2.130 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)OCc2c(C)noc2C)ccc1Cl 48248735 LLQPZZZFCGNJQD-UHFFFAOYSA-N 358.803 2.210 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-n2cncn2)cc1 12855238 LXEHJEKGQMGVLC-LBPRGKRZSA-N 363.377 2.089 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)C2CC2)cc1 12905261 HANZTAPDCKHUNI-ZDUSSCGKSA-N 366.483 2.205 0 40 FEAB O=C(Nc1ccccc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13685300 FHJDOYNRLVWEMZ-AWEZNQCLSA-N 359.451 2.374 0 40 FEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 13624536 JOHAVGRDVDSGEL-INIZCTEOSA-N 371.824 2.180 0 40 FEAB CC(=O)Nc1ccccc1OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 6064043 VUPYURMMTCKBBU-UHFFFAOYSA-N 369.421 2.429 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC(=O)NC1CCCCC1 39582874 OOCNQNREECHHRZ-SNVBAGLBSA-N 353.806 2.439 0 40 FEAB CS(=O)(=O)c1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1Cl 14052764 PMGNLYRHPYCWGX-CQSZACIVSA-N 367.810 2.127 0 40 FEAB CCc1[nH]c(C(=O)OCC(=O)N2CCC(C)CC2)c(C)c1C(=O)OC 14188549 FSLPVRFEWUVONK-UHFFFAOYSA-N 350.415 2.087 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 14201234 UOBMPEWZKJAHBJ-UHFFFAOYSA-N 366.417 2.446 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17328054 PEUZZCRBKPZJMP-MCIONIFRSA-N 354.472 2.013 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CSc2cc(F)ccc2F)cc1 14795735 GFEZGMOHFODBDA-UHFFFAOYSA-N 372.418 2.021 0 40 FEAB Cc1cccc(NCc2nnn3c2C(=O)N(Cc2cccc(F)c2)CC3)n1 306129680 IJHSOTFREKJRAI-UHFFFAOYSA-N 366.400 2.389 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7323943 PXFGOMSYVAOJKF-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 9482457 OWFZDCFNRLIATC-UHFFFAOYSA-N 365.499 2.162 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N1CC[C@H](OCCCc3ccccc3)C1)CC2 89740837 DVHZZNDKMVXRKJ-OALUTQOASA-N 368.481 2.399 0 40 FEAB O=C(c1cccc(OCc2cccnc2)c1)N1CC[C@H](N2CCOCC2)C1 72297658 GVFKAMUGPFDBIS-IBGZPJMESA-N 367.449 2.207 0 40 FEAB COc1ccc(C(=O)OC(C)C)cc1NC(=O)c1nccnc1C(=O)O 72404129 FVPNZHUXISYDOB-UHFFFAOYSA-N 359.338 2.001 0 40 FEAB COCCOCCNC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 97438668 DMJKISUWMBMAPU-UHFFFAOYSA-N 355.866 2.143 0 40 FEAB COc1ccccc1N1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 95439863 PWFWXWJSGAWEIR-INIZCTEOSA-N 363.421 2.285 0 40 FEAB CCS(=O)(=O)c1ccc2oc(CN3CCCC[C@H]3C(=O)OC)nc2c1 84811666 FISWDUTYEMOTAT-AWEZNQCLSA-N 366.439 2.149 0 40 FEAB Cc1nn(CC(=O)NCCc2ccc(O)cc2)c(C)c1Br 27981579 HKNZSNNFTUZGLC-UHFFFAOYSA-N 352.232 2.327 0 40 FEAB Cc1ccccc1N(CCCC(=O)NCc1ccco1)S(C)(=O)=O 113967072 CYMVEYIWTANNED-UHFFFAOYSA-N 350.440 2.451 0 40 FEAB CCOC(=O)c1c(C)oc2ncn(Cc3nnsc3Cl)c(=O)c12 20994193 OVARWFIAKDOLAM-UHFFFAOYSA-N 354.775 2.028 0 40 FEAB Cc1nc(C)c(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)s1 28540257 HHAWVJZDCNLNEZ-UHFFFAOYSA-N 368.465 2.269 0 40 FEAB Cc1c(C(=O)Nc2cccc(-n3ccnc3)c2)nnn1Cc1ccncc1 506686752 ICLDXBJSCHXJDK-UHFFFAOYSA-N 359.393 2.468 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)Cn3ccnc3C)CC2)Nc2ccccc21 72327190 NILAOFWCPGCMEJ-UHFFFAOYSA-N 367.453 2.031 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(CN2CCOCC2)c1 30849243 JNNKSDKOKTWOAL-UHFFFAOYSA-N 354.406 2.178 0 40 FEAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241269 UUTACKJWLPUQIZ-DLBZAZTESA-N 362.813 2.490 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 72390967 BTBXFZACNVDXKA-HZPDHXFCSA-N 366.465 2.214 0 40 FEAB CCn1nc2n(CC(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 72347019 OOAXSJDKWOOTIH-ZIAGYGMSSA-N 355.442 2.166 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2cccc(F)c2)CC1 72240453 LGOFQFYWYFDLOD-UHFFFAOYSA-N 358.461 2.453 0 40 FEAB COC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218112992 WXMVYJRRSNSDMK-FHWLQOOXSA-N 361.463 2.287 0 40 FEAB COc1ccc(C)cc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O 223672722 DLSBPTYUPCXVKJ-UHFFFAOYSA-N 366.483 2.386 0 40 FEAB COc1cccc(OC)c1CNC(=O)CCN1C(=O)c2ccccc2C1=O 225874694 INTSRHXTQDYVJW-UHFFFAOYSA-N 368.389 2.006 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccccc1F 224342968 RNTRRWVHIBMHFT-UHFFFAOYSA-N 371.478 2.135 0 40 FEAB COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225420601 VRFACZSWCKUPIP-CYBMUJFWSA-N 362.451 2.437 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccoc4)C3)OCC2=O)s1 96051454 HHDRHCNNHSWCOW-GOSISDBHSA-N 362.451 2.284 0 40 FEAB O=C(CCc1ccccc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240915 VRFPWHZPIBDWPR-LJQANCHMSA-N 370.493 2.497 0 40 FEAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)N1CCCC1 96082849 IBFVRQYPWUOCOI-UFYCRDLUSA-N 358.482 2.305 0 40 FEAB O=C(Cc1ccccc1F)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 96209920 YUVMLFBAKVVZDG-UZLBHIALSA-N 355.413 2.350 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCCC3)C3(CCOCC3)C2)c1 96240906 SYDMQQXDDNMGMW-SFHVURJKSA-N 356.466 2.486 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)CC1CCCC1)CC2 96254849 JDQSEYDAKHLMIJ-UHFFFAOYSA-N 358.486 2.129 0 40 FEAB COc1ccccc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccno1 248136468 NHLFDWUFTWCIAK-MRXNPFEDSA-N 371.437 2.094 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccncn2)C3)n1 247854452 CCMVNUGSBWSMMD-HNNXBMFYSA-N 356.451 2.097 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccnn2C)C3)cs1 248000481 AHWITMRTEUQVPT-ZDUSSCGKSA-N 364.496 2.102 0 40 FEAB CCn1cc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4)on2)cn1 257339217 ZASXCFIEMXNGPL-KUZCPNRJSA-N 355.442 2.303 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257215650 CRAKDSQACVPUNS-SFHVURJKSA-N 357.458 2.447 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)c1 257213645 CIMGRUASOBSPDR-LJQANCHMSA-N 355.438 2.405 0 40 FEAB Cc1cc(C[C@@H]2COCCN(Cc3ccc4c(c3)OCCO4)C2)ncn1 257257854 KRJCPRARLKTLDJ-KRWDZBQOSA-N 355.438 2.247 0 40 FEAB Cn1cnc(S(=O)(=O)N2CC[C@H](Cc3ccnc4ccccc34)C2)c1 257214627 CMRIELBUGVSHTE-CQSZACIVSA-N 356.451 2.222 0 40 FEAB COC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(OC)c1 585091921 JJZWQSYZQCKNCA-OAHLLOKOSA-N 365.407 2.090 0 40 FEAB O=C(O)c1cnc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cn1 263237696 DHTNAOZFIRVUKG-AWEZNQCLSA-N 359.357 2.135 0 40 FEAB C[C@@]1(CNC(=O)C2(C3CC3)CCC2)CN(C(=O)C2(C3CC3)CC2)CCO1 1775990481 BFRRWAPQHBOSRZ-LJQANCHMSA-N 360.498 2.491 0 40 FEAB CCOC(=O)[C@](C)(CNC(=O)c1ccc(C(=O)O)nc1)c1ccccc1 615931244 SOVFGPKBBXUEBS-LJQANCHMSA-N 356.378 2.031 0 40 FEAB Cn1nncc1C(=O)N1CCC[C@H]2CN(C(=O)CCC3CCCC3)CC[C@H]21 1775991469 MMSAFFVFKNAULR-DLBZAZTESA-N 373.501 2.239 0 40 FEAB NC(=O)c1cc(NC(=O)NCCOc2ccc(F)cc2F)ccc1F 592483460 DKTXALWDQBZUMT-UHFFFAOYSA-N 353.300 2.403 0 40 FEAB O=C(CN1CCCC[C@H](O)C1=O)NCCc1cccc(-c2ccccc2)c1 644393110 BKIOITNHBJIRBF-FQEVSTJZSA-N 366.461 2.386 0 40 FEAB O=C([C@@H]1CC[C@H](C2CC2)N1)N1CCC(C(=O)N2CCc3ccccc32)CC1 653080122 YWQRFSOATCQOPA-MOPGFXCFSA-N 367.493 2.345 0 40 FEAB CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 659116040 OFMAWTBKLOVKFF-MRXNPFEDSA-N 366.417 2.366 0 40 FEAB Cc1cc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)ccc1-n1cncn1 666433753 LKJQQNUPXGEVRO-QFBILLFUSA-N 352.442 2.177 0 40 FEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(O)nc(C)n2)C1 585277892 XKMQKLQOAIFNPN-IBGZPJMESA-N 357.410 2.191 0 40 FEAB CO[C@@H]1CN(C(=O)c2cccnc2N)C[C@]12C[C@H](c1ccccc1)CO2 585287742 DEOZFLRTGLFCPD-XAUMDUMWSA-N 353.422 2.078 0 40 FEAB COc1ncc(C(=O)N2CC[C@](COc3ccccc3C)(OC)C2)cn1 585275523 CGHCSHWOHQSOOH-IBGZPJMESA-N 357.410 2.104 0 40 FEAB Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2cccc(Cl)c2F)n[nH]1 685940130 URNINEPJVBNAMM-NHYWBVRUSA-N 352.797 2.342 0 40 FEAB O=C(CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccccn1 57171030 BIVQKCKVEWQJQW-SFHVURJKSA-N 366.465 2.439 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(c2ccc(Br)cc2)CC1 661576454 LFDHENSZAHRPCZ-UHFFFAOYSA-N 354.292 2.486 0 40 FEAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F 5215547 PXARANZJVCJPBI-ZJUUUORDSA-N 365.249 2.242 0 40 FEAB COc1ccc(C)c(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146696 CDMNKUGOZUTTAB-UHFFFAOYSA-N 354.366 2.041 0 40 FEAB NC(=O)c1nc(-c2ccoc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 12186249 DAGLQMPOJGMIEI-UHFFFAOYSA-N 355.741 2.121 0 40 FEAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@@H]1CCS(=O)(=O)C1 12226902 JATBZJYSEZFDMC-VXGBXAGGSA-N 356.494 2.039 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)[C@H]3CCCO3)CC1)O2 19219145 QLJOMNUFNCXRLK-GBXVCHKXSA-N 358.438 2.094 0 40 FEAB Cc1csc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c(=O)n12 19240376 FGRZZHWMAFBLIV-VIFPVBQESA-N 370.390 2.036 0 40 FEAB CN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 19589951 QOQWFTIWOKVPPI-KRWDZBQOSA-N 372.473 2.259 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888853974 LJKNVDMFPFPKDY-CHWSQXEVSA-N 360.820 2.406 0 40 FEAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(F)cn3)C2)c(C(F)F)n1 1889130402 VNOHGPFGQFBADW-SNVBAGLBSA-N 354.332 2.433 0 40 FEAB CCCOc1c(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cccc1OC 2037984058 OTGIWKQDKITVNB-IRXDYDNUSA-N 362.470 2.163 0 40 FEAB CCc1ccc(C(=O)N2CCc3cc(C(=O)OC)c(C)nc3CC2)cn1 1565550314 YNYCFIMBEZQBPW-UHFFFAOYSA-N 353.422 2.375 0 40 FEAB COc1cccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)c1 4504029 LLTMAAFRJWOJTF-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1cccc(S(C)(=O)=O)c1 4770487 UBROCQQHKGHPST-WFASDCNBSA-N 367.471 2.049 0 40 FEAB CCN(CC)C(=O)CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12 5076067 RXBPUTMXCVEXTO-UHFFFAOYSA-N 357.439 2.045 0 40 FEAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(C)=O)CC1 11694414 SSQDTHDKQOKUKP-UHFFFAOYSA-N 374.416 2.105 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCC2CCN(C(C)C)CC2)c1 12441423 FGHBVCNTWINVCY-UHFFFAOYSA-N 356.488 2.103 0 40 FEAB O=C(C1=CCCCC1)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771515 DUKLTMCGOHMSND-HXUWFJFHSA-N 356.470 2.227 0 40 FEAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCC(O)CC2)c1 22609797 XDLWNWHVBZWWNZ-AWEZNQCLSA-N 360.439 2.051 0 40 FEAB Cc1cc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)nn1C 1775971839 OUBNMKOGNAKMQF-UHFFFAOYSA-N 357.458 2.060 0 40 FEAB Cc1nc2ccccc2nc1N1CCC[C@@H](N(C)S(=O)(=O)C2CC2)C1 2086889491 ITLHBCKKQCSVMJ-CQSZACIVSA-N 360.483 2.331 0 40 FEAB CC1CCN(S(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)CC1 5553240 OLRHYSQRIXLOPY-UHFFFAOYSA-N 358.419 2.144 0 40 FEAB COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(N)(=O)=O 6560738 DTEMUADBXUTSTK-UHFFFAOYSA-N 357.391 2.143 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1C 7940087 OGJVFDYQVMBYHE-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB O=C(CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1 2584479 MXPOTGPWCJELKP-HNNXBMFYSA-N 352.346 2.155 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)OCCCO2 7978035 BCSFSBATDPXMKK-UHFFFAOYSA-N 354.362 2.212 0 40 FEAB Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12 4249945 BKLUDUNOTJQAKD-UHFFFAOYSA-N 372.435 2.067 0 40 FEAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 6971049 HSXKHHCIWCOWRZ-GZTJUZNOSA-N 374.356 2.244 0 40 FEAB COC(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 7780161 YVZLBFBBEGRHHT-OAHLLOKOSA-N 357.362 2.158 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 7805368 BAVKIZVRKSBTFT-UHFFFAOYSA-N 369.421 2.236 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 10128215 KPYKOQWCHLOEEP-GOSISDBHSA-N 360.479 2.409 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2cc(Br)ccc2=O)s1 32741732 HWNNFLPXJJGFFO-UHFFFAOYSA-N 369.240 2.191 0 40 FEAB C[C@H]1CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H](C)O1 32895327 FMBFAZACCBSLPJ-IYBDPMFKSA-N 352.500 2.295 0 40 FEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 628326 DIMFGGBPJBBARY-UHFFFAOYSA-N 361.394 2.285 0 40 FEAB Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)c2c(n1)c(C)nn2C 28557473 FZJCQLHNOUYAFO-UHFFFAOYSA-N 368.416 2.082 0 40 FEAB CCOc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OCC(F)(F)F 105471071 LVACRRFXKQMCPJ-CQSZACIVSA-N 362.392 2.447 0 40 FEAB CCN1CCN(C[C@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 75572749 KMKOWCKQADDMKP-CQSZACIVSA-N 355.429 2.291 0 40 FEAB COc1cccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)c1 56310439 FYQKKPSIGTYJOW-KRWDZBQOSA-N 357.410 2.451 0 40 FEAB CS(=O)(=O)CCCN1CCO[C@H](c2ccc(Br)cc2)C1 75582690 OVMNESQCDQUGSF-AWEZNQCLSA-N 362.289 2.257 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1=O 57478862 PNJXWBOLJOLMNY-STQMWFEESA-N 363.483 2.139 0 40 FEAB Cc1cccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1C 3368664 RZXFAZDZCIQCPG-UHFFFAOYSA-N 365.389 2.346 0 40 FEAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1c[nH]c(=O)[nH]c1=O 2307209 GCBGIBCXOBTWEO-UHFFFAOYSA-N 360.222 2.242 0 40 FEAB COC(=O)c1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1 12994257 ASTHEZXRDAEJQH-OAHLLOKOSA-N 356.378 2.112 0 40 FEAB NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 13007279 SFYURQGGANRKPU-UHFFFAOYSA-N 357.435 2.338 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1cccs1 13000539 YJJADLRAQHJQLB-GFCCVEGCSA-N 366.464 2.350 0 40 FEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCCCC1 4062189 FKZBLEDLBOMWSA-IBGZPJMESA-N 369.465 2.470 0 40 FEAB biogenic Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)N1CCOCC1 14184471 QSEKMWSSQVIOOH-UHFFFAOYSA-N 352.437 2.196 0 40 FEAB O=C(c1cnn(C(=O)[C@H]2COc3ccccc3O2)c1)c1ccccc1O 6996991 JWUXRVQATXQXER-QGZVFWFLSA-N 350.330 2.300 0 40 FEAB CCOC(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 15206698 CPESIURSNKFNQB-UHFFFAOYSA-N 364.471 2.311 0 40 FEAB CC(C)n1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 7236960 BKKDJYZBRZNNDO-CYBMUJFWSA-N 361.467 2.365 0 40 FEAB CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 7702629 LHPNNOSVDXQMHQ-UHFFFAOYSA-N 370.780 2.258 0 40 FEAB Cc1cc2nc(CSc3nnc(NC(=O)C(C)C)s3)cc(=O)n2o1 20984502 SPAIMDWWDCELQZ-UHFFFAOYSA-N 365.440 2.334 0 40 FEAB CCCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(N2CCOC2=O)c1 79025487 LBKOPHPDPGNRBG-OAHLLOKOSA-N 360.414 2.166 0 40 FEAB CCc1cc(=O)[nH]c(CN2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)n1 79102154 KXLVVBDRTDODJD-MRXNPFEDSA-N 368.481 2.170 0 40 FEAB C[C@H](C(=O)NC[C@@](O)(Cc1ccccc1)c1ccccc1)n1cncn1 72304405 ZGAQSHMWIMRSLR-UZLBHIALSA-N 350.422 2.086 0 40 FEAB Cc1ccn2ncc(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)c2n1 87500434 OZNBAZSPHMZCTJ-LBPRGKRZSA-N 357.364 2.325 0 40 FEAB O=C(NC1CC1)c1cccc(CNC(=O)[C@@H]2CCCN2c2nccs2)c1 84364170 UBWGZSGLXFJERP-INIZCTEOSA-N 370.478 2.321 0 40 FEAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 95457902 LAODLZYLOPVATN-UNJBNNCHSA-N 364.408 2.353 0 40 FEAB COc1ccc(N2Cc3nn(CCc4ccccc4)c(=O)n3C2=O)cc1 1547201251 SQSDDAYXHSFVBU-UHFFFAOYSA-N 350.378 2.284 0 40 FEAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccn3)CC2)cc1 60211817 WEJKPSNVWJFRKS-UHFFFAOYSA-N 373.478 2.274 0 40 FEAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 407970682 CQBDNIMVVAQZJG-IKGGRYGDSA-N 366.483 2.044 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1 32439697 JWSVFGYVLCVCGU-OAHLLOKOSA-N 368.499 2.258 0 40 FEAB COc1ccccc1C1(O)CCN(CC(C)(C)CN2CCOCC2)CC1 36741353 AKTQEVXZYYJHEH-UHFFFAOYSA-N 362.514 2.337 0 40 FEAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709832 XQCVVJOJJAUWAG-UHFFFAOYSA-N 371.824 2.487 0 40 FEAB CCOc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219017523 ATCGGYNPOIRIRX-CALCHBBNSA-N 356.422 2.043 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)Cc3ccccc3)CC2=O)cc1C 70639289 JWKOJGLXGKLWTB-ICSRJNTNSA-N 366.461 2.376 0 40 FEAB COc1ccc(S(=O)(=O)c2cnc(N3CCCCCC3)nc2N)cc1 71772035 KTQUXWRWQNLNBL-UHFFFAOYSA-N 362.455 2.281 0 40 FEAB O=C(O)C1(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 567987490 DJLKDZUWJRLNJP-SNVBAGLBSA-N 358.316 2.145 0 40 FEAB O=C(O)c1cc(Cl)cc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 572152255 FNVQQUFARCGIRF-JTQLQIEISA-N 359.831 2.228 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)Nc3cc(-c4cccc(F)c4)on3)C2)n[nH]1 576330707 XHGUGOIIWKFJEN-GFCCVEGCSA-N 356.361 2.929 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCCCCO3)n(C)c2)C1 530361828 WVLUWIFCNGYFGY-CQSZACIVSA-N 369.487 2.003 0 40 FEAB Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 96040408 AAXHIFJWZBGHOY-APWZRJJASA-N 357.410 2.468 0 40 FEAB COc1ccc(CCc2n[nH]c(NC(=O)c3ccccn3)n2)cc1OC 95477976 SHUYVTRNTKIPSS-UHFFFAOYSA-N 353.382 2.254 0 40 FEAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccsc3)CC2)CO1 96105946 CYBPIWSWNBVWCR-INIZCTEOSA-N 352.500 2.224 0 40 FEAB O=C(Cc1ccccc1F)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108166 OMMPTFSWCXDAQQ-QFBILLFUSA-N 358.413 2.321 0 40 FEAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)OC2(C)C)sc1CC(C)C 96117806 CACBKLOJBVUAQN-VIFPVBQESA-N 354.428 2.408 0 40 FEAB COC[C@H]1CCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)N1C 96209131 MBLXJJIGRAFKTC-MRXNPFEDSA-N 350.434 2.306 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049007 LSHPFLNEJACJCA-UHFFFAOYSA-N 361.421 2.092 0 40 FEAB Cc1ncsc1CN1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 248056192 ULVJNIFJBOZGFZ-CQSZACIVSA-N 367.540 2.150 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C 245230063 KWVPCEYTUUHIGH-ZNMIVQPWSA-N 365.547 2.411 0 40 FEAB Cn1cc(CN2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)cn1 257203792 ARQHMUIIHQZHTI-HNNXBMFYSA-N 364.457 2.198 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1)c1ccccc1 252492713 MTQDJWIFNCLYCN-KUHUBIRLSA-N 365.433 2.205 0 40 FEAB O=C1NC(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@@H]2C(=O)O)S1 256027782 BQMPJQIIFCKCND-CHPNCVJKSA-N 351.771 2.027 0 40 FEAB CCc1nc(CN2CCC[C@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)no1 623603930 AQCXDIDIUJHIAS-GJZGRUSLSA-N 361.490 2.476 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(Cc2cccc(OCc3ccccc3)c2)C1 643745829 VQICXEDBCYUGAE-NRFANRHFSA-N 354.450 2.468 0 40 FEAB Cc1nnc(CN(C)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)s1 661126162 LTZZSDCSSKEVQN-IUODEOHRSA-N 373.482 2.178 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncnc3c2CCCC3)C1 681819249 HBYWBOTWCAFMPW-SFHVURJKSA-N 357.483 2.362 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)Cn2cc(C)c3ccccc32)o1 1775959049 BEJKKFSVHVNHJC-CZUORRHYSA-N 354.410 2.230 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108863 ZEWQZWZQRDMAAQ-CMKODMSKSA-N 371.412 2.133 0 40 FEAB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cn2ccccc2n1 62288430 UPPFEBPDLRKAQU-QGZVFWFLSA-N 364.405 2.382 0 40 FEAB CN1CCC(C[C@@H](O)c2ccc(NC(=O)c3ccc(O)nn3)cc2)CC1 72347487 MPGLXFUCCNYQQL-QGZVFWFLSA-N 356.426 2.200 0 40 FEAB Cc1cc(C)c(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c(C)n1 97214129 CWLVRXYFXZSKDR-INIZCTEOSA-N 351.410 2.066 0 40 FEAB Cn1cc(CCNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c2ccccc21 1083103399 YKWIJZGJOIHYGD-WKILWMFISA-N 366.469 2.330 0 40 FEAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(O)cc1)C2 12239937 DCLPIBDETKCNRD-AWEZNQCLSA-N 354.454 2.413 0 40 FEAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)c(C)c1C 13009018 VUVJVADLHLAJIE-UHFFFAOYSA-N 366.425 2.143 0 40 FEAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)Cc1csc(C)n1)CC3 13226787 LEEVKDWDTRZGMT-UHFFFAOYSA-N 374.491 2.159 0 40 FEAB COc1ccc(CNC(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)cc1 14034915 JIGXSSDZMDNSIF-CQSZACIVSA-N 359.451 2.222 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)C1 19592605 IFVZPXZNJUMPJC-DOTOQJQBSA-N 359.470 2.489 0 40 FEAB CC1CCN(CC2(NC(=O)c3cccn4nnnc34)CCCCC2)CC1 19654937 IZGJUURQBHFBMX-UHFFFAOYSA-N 356.474 2.289 0 40 FEAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1=O 19655453 QZCSLTNPSRKCGX-CYBMUJFWSA-N 365.389 2.318 0 40 FEAB CCOC(=O)c1cn(CCNC(=O)c2ccc(F)c(Cl)c2F)cn1 538831806 XVSPJVWRVBFOQF-UHFFFAOYSA-N 357.744 2.421 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)s1 28464624 YTCUAPKRCMLRHR-UHFFFAOYSA-N 364.398 2.416 0 40 FEAB COc1cc(NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)cc(OC)c1 32873992 YDVBFQTZAVHLCG-CYBMUJFWSA-N 364.427 2.404 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cncn2C)C1 2037845946 IGWQBVFLCKTXDT-GFCCVEGCSA-N 370.482 2.116 0 40 FEAB Cc1ccc(CC(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cc1 1565546366 ZGDBMLBQSVWYQT-UHFFFAOYSA-N 362.495 2.000 0 40 FEAB Cc1ccccc1Cn1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O 4370458 FRVSROJJRLPJBD-UHFFFAOYSA-N 365.437 2.395 0 40 FEAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1O 8657243 XUNAVOHRHRXQKI-DHDCSXOGSA-N 354.387 2.180 0 40 FEAB COc1ccccc1CN[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732294 AJLUULJIHIRSAS-INIZCTEOSA-N 357.454 2.163 0 40 FEAB Cc1csc(C(=O)N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)c1 2055750904 KNLMXYANJDQIFD-HZPDHXFCSA-N 361.467 2.387 0 40 FEAB O=C(COc1ccccc1F)NC[C@@H](c1ccsc1)N1CCOCC1 22765955 NPSXTVBVMFZRLP-INIZCTEOSA-N 364.442 2.456 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 40120159 MNZBJVJTOWNENS-OALUTQOASA-N 371.481 2.283 0 40 FEAB O=C(CNC(=O)Cc1cccc2ccccc12)NCc1cn2ccccc2n1 7943516 OLSLQFNVDTXQFC-UHFFFAOYSA-N 372.428 2.463 0 40 FEAB CCNC(=O)[C@@H](C)NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 51135419 ULVQEJDVHWTMPP-SNVBAGLBSA-N 374.409 2.019 0 40 FEAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCO)c(=N)c21 101365013 YVBIHQQMJQMFRA-KRWDZBQOSA-N 365.389 2.355 0 40 FEAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 4952502 HVEHUZIXLQQIAD-UHFFFAOYSA-N 353.422 2.335 0 40 FEAB CCCCCCn1c(N2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 2594258 NGRNMTFPXUKXHB-ZIAGYGMSSA-N 361.490 2.486 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 16400390 LXMAIGVTPRYZKR-SFHVURJKSA-N 357.366 2.084 0 40 FEAB CC(C)N(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 32824073 MTGXQBGBNGGKLG-UHFFFAOYSA-N 372.512 2.033 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102382088 UZUQNEUUYHKYPF-KONPQCLYSA-N 372.465 2.209 0 40 FEAB Cn1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 22190506 VDMYPEMKEPIFRC-UHFFFAOYSA-N 356.407 2.473 0 40 FEAB CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1cccs1 22389720 QOAPCRMEPLNSDH-UHFFFAOYSA-N 350.465 2.348 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 53644393 SRTNZLVTFVLOCY-UHFFFAOYSA-N 363.391 2.371 0 40 FEAB c1ccc(CCn2nnnc2[C@@H](c2cccs2)N2CCOCC2)cc1 20143275 LEQLUCRSNUPLDD-QGZVFWFLSA-N 355.467 2.399 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 47198686 FBRDTWZCDMLDGJ-UHFFFAOYSA-N 365.433 2.275 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NN1C 1004219 KKTPGKPMSTUMBF-KRWDZBQOSA-N 368.393 2.247 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 2932920 WEWIVGFGXBOGDT-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB biogenic CS(=O)(=O)c1ccc([C@@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1 3098858 LVIWXYDETRIGBP-RTWAWAEBSA-N 366.462 2.411 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cn2)n1 24571808 OKNNVPFJBUMTMS-UHFFFAOYSA-N 374.404 2.233 0 40 FEAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3ccc(C)cc3)s2)cc1 1417092 IXKDPUBNCUYJBN-ZZEZOPTASA-N 368.418 2.091 0 40 FEAB Cn1cc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cn1 21997539 CRGFSKGEPPLFJD-UHFFFAOYSA-N 363.439 2.184 0 40 FEAB COC(=O)[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1cccnc1 108169794 JSBSUUVKRDHJRP-AFAVFJNCSA-N 367.405 2.320 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57493146 OOEYUUZRRJVSOF-UHFFFAOYSA-N 371.462 2.357 0 40 FEAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)c(OC)c1 57520806 JLRUOGMBFMEZCM-UHFFFAOYSA-N 374.422 2.308 0 40 FEAB CC(C)(CNC(=O)CSc1nccn1-c1ccccc1)N1CCOCC1 25965926 XQEOGCGGEAKXHE-UHFFFAOYSA-N 374.510 2.191 0 40 FEAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCC(=O)O 2117829 JLBDXTHAWXMJRV-NSHDSACASA-N 359.378 2.030 0 40 FEAB biogenic O=C(Cn1cncn1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 58209871 AIWFSGGFYGJICF-UHFFFAOYSA-N 367.375 2.078 0 40 FEAB O=C(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1 3393227 VRFWWICKVKSRSA-UHFFFAOYSA-N 358.369 2.366 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)ccc2C)C1=O 3369199 KAGVULFZNAMMFT-UHFFFAOYSA-N 360.410 2.140 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 10706972 SWBVXUIXVWZLPP-UHFFFAOYSA-N 358.463 2.284 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1F 62065720 VUGYYJFRVWYDRW-LBPRGKRZSA-N 366.414 2.448 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 3594797 XMPNSDYEOGYUPH-FQEVSTJZSA-N 365.389 2.027 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 8341407 CDQHPAQTMKDKCA-SFHVURJKSA-N 372.421 2.226 0 40 FEAB Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@@H](O)OC3=O 3979002 IEVVSJFLBYOUCJ-SFHVURJKSA-N 372.285 2.013 0 40 FEAB biogenic,in-vitro Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 4279272 CJWNRZVRQCFWAU-XGYYKPKNSA-N 363.410 2.330 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1)N1CCCC1 408588527 GPAAURQXFCBXDI-UHFFFAOYSA-N 360.439 2.188 0 40 FEAB Cc1ccc(C)c(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 13997670 UJQRCGNCEDHLLG-INIZCTEOSA-N 368.499 2.145 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCCSCc2cccs2)cc1 14094432 JYBSKNZMROTFHG-UHFFFAOYSA-N 370.521 2.319 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccc(F)cc1 14015350 FVIKXJFMWLAOET-GUYCJALGSA-N 369.396 2.166 0 40 FEAB CCN(CC)c1ncc(Cl)c(C(=O)NC2(C(=O)O)CCCCC2)n1 65546541 JPOIMOBZHGIWFQ-UHFFFAOYSA-N 354.838 2.494 0 40 FEAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 14182134 RNRRRUVADWIWFU-UHFFFAOYSA-N 356.407 2.285 0 40 FEAB Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 22525585 TVERBOVUMCITAW-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635448 JSPWQBFTYDAXFI-OLZOCXBDSA-N 370.471 2.443 0 40 FEAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(C(C)C)s2)C1=O 16046722 DUVMPEBDOWOUJK-UHFFFAOYSA-N 367.475 2.491 0 40 FEAB O=C(CSc1nnc(NCCc2cccs2)s1)N1CCOCC1 9502041 JLVNAZRGUXSPPI-UHFFFAOYSA-N 370.525 2.205 0 40 FEAB CCCn1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c2ccccc21 89960708 DLEXOLJMMGUNRA-RNODOKPDSA-N 368.437 2.159 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccccc1Cl 35870821 RMAJGBRSMJAFFW-UHFFFAOYSA-N 352.843 2.335 0 40 FEAB O=C(CSc1n[nH]c(-c2ccc3c(c2)OCCO3)n1)N1CCCCC1 540929576 XIJGJGOEKJKKIZ-UHFFFAOYSA-N 360.439 2.348 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 38679352 UIIDXQQEQSDTRU-UHFFFAOYSA-N 367.405 2.356 0 40 FEAB COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c(OC)c1 32521336 CCWBOQOIPJXIJT-UHFFFAOYSA-N 361.423 2.007 0 40 FEAB Cc1oncc1C(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821489 CAJFRSAYYZPFRR-UHFFFAOYSA-N 368.393 2.056 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOc2cccc(C)c2)ccc1C 225124833 TZAWVKMWIXHCFJ-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1n[nH]c2c1CCCC2 225809383 LGLJIGRVAMSHLN-UHFFFAOYSA-N 364.331 2.280 0 40 FEAB O=C(c1ccnnc1)N1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239060 HIUQIECJNXGENU-GOSISDBHSA-N 358.348 2.024 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613788 DUSXBLKFAAFMCI-ZDUSSCGKSA-N 371.220 2.042 0 40 FEAB Cc1nnc(N2CC[C@@]3(C[C@H](NC(=O)c4ccccc4)CCO3)C2)s1 96216261 YRJKPAMTIRPLLP-CRAIPNDOSA-N 358.467 2.404 0 40 FEAB Cc1nc(C(=O)N2Cc3cncn3[C@H](COc3ncccc3F)C2)cs1 248041576 OZUCRKBWIHEBQV-ZDUSSCGKSA-N 373.413 2.458 0 40 FEAB CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccn(CC)n3)C2)on1 257227461 FPKDQNBIMVGSHW-IBGZPJMESA-N 373.457 2.012 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H](c2nc(C3CC3)no2)O1 623173458 GZUHUAWWNGUNHF-BXUZGUMPSA-N 353.382 2.197 0 40 FEAB CCOc1cccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 625967413 MQYQWUPBIZHEPA-UHFFFAOYSA-N 355.394 2.205 0 40 FEAB CC1(C)CCc2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2C1 1616037953 HMSKOGDKGBEMDX-UHFFFAOYSA-N 353.470 2.209 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1 96096449 AEOOXVJPKNBUAO-SFHVURJKSA-N 352.390 2.428 0 40 FEAB C[C@@H]1CC(CCNS(=O)(=O)c2ccc(C(=O)O)c(F)c2)C[C@@H](C)O1 563637342 SYYSHUUIKNYQIV-GHMZBOCLSA-N 359.419 2.396 0 40 FEAB CCOc1ccccc1NC(=O)CNc1cc(-n2cnnn2)ccc1C 55856162 YSWKEKXAWDCIIB-UHFFFAOYSA-N 352.398 2.420 0 40 FEAB O=C(Cc1nc2ncccn2n1)N1CCCc2cc(Br)ccc21 55942815 NWCDISPUCJSGSI-UHFFFAOYSA-N 372.226 2.409 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159960 QLOKWJYTPNZFDH-IBGZPJMESA-N 355.394 2.021 0 40 FEAB CC(C)N1C[C@@H](C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12220194 SYEQQJMVKJKVFA-RDJZCZTQSA-N 372.465 2.433 0 40 FEAB C[C@H](CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)n1cncn1 12220655 JXIAZLRAOAYETN-CYBMUJFWSA-N 367.413 2.080 0 40 FEAB CCc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 12977185 UYRJUCNUYKHURK-UHFFFAOYSA-N 363.417 2.259 0 40 FEAB Cc1ccc(NC(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c(C)c1 13700447 ANYZYNGIGKAEBT-UHFFFAOYSA-N 365.441 2.404 0 40 FEAB CCOC(=O)/N=c1\ss/c(=N\C(=S)N(C)C)n1-c1ccccc1 18252107 OCCPLNGXISLYIY-BNXAACBSSA-N 368.509 2.405 0 40 FEAB FC(F)(F)c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1 575617270 RUDWRRUZGFVDFI-UHFFFAOYSA-N 364.375 2.491 0 40 FEAB COc1ccc2sc(N3CCC(NS(=O)(=O)C4CC4)CC3)nc2c1 1888890454 RWTYBQSDCGCAER-UHFFFAOYSA-N 367.496 2.356 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838630 SCDNTPRRVIUZKJ-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB O=C(c1cc(F)ncc1F)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553625 GGKCDHCLQYKQQR-UHFFFAOYSA-N 367.359 2.453 0 40 FEAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249173 WIYRMJAAUQSRAT-AWEZNQCLSA-N 367.453 2.485 0 40 FEAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(F)c1 4316188 QUJBRURXMWUPFO-UHFFFAOYSA-N 366.312 2.434 0 40 FEAB COc1ccc(C(=O)NCCS(=O)(=O)N[C@H](C)c2ccccc2)cc1 4940981 FZNCYIOPKWSCMG-CQSZACIVSA-N 362.451 2.106 0 40 FEAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 9713074 RUHSCOLFJUALAN-GFCCVEGCSA-N 371.441 2.113 0 40 FEAB CN([C@H]1CCCN(c2nc3cnccc3s2)C1)S(=O)(=O)C1CC1 2086889591 YAMVNHGDGVSPJI-NSHDSACASA-N 352.485 2.084 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCC(c2nnc(C3CC3)o2)CC1 44099054 SSRQJGCZBQSYIX-MRXNPFEDSA-N 355.394 2.493 0 40 FEAB O=C(Cc1ccc(Br)cc1)NCc1cn(-c2cccnc2)nn1 575618217 KDPHRTFJCSMJOM-UHFFFAOYSA-N 372.226 2.284 0 40 FEAB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)nc2ccc(Cl)cn2c1=O 96113951 FEDNGBZYCBWSEZ-CYBMUJFWSA-N 374.780 2.454 0 40 FEAB biogenic COc1cc(OC)cc(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 40013056 YVUZBMXHWWYFBF-INIZCTEOSA-N 373.405 2.410 0 40 FEAB Cc1nc2ccc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2nc1C 40012965 AWJFUIYTKZYMJD-QGZVFWFLSA-N 356.470 2.333 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 6603677 ZUDUUUFCSLSZBL-AWEZNQCLSA-N 356.488 2.223 0 40 FEAB CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4076266 ONOVZUNPHDZFBJ-LJCCNALRSA-N 362.422 2.161 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 6742069 YELZNOOSBRBUHS-NEPXVJNWSA-N 354.450 2.162 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101941381 MGMSYISBMQMPMW-WWNBULGVSA-N 350.374 2.200 0 40 FEAB CCCC(=O)NCC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 45912086 DRAVZNPPAFYLHJ-UHFFFAOYSA-N 371.403 2.266 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 32779515 HYNIBFWSCSBWLE-UHFFFAOYSA-N 368.393 2.069 0 40 FEAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NCc1ccc(F)cc1 100162156 FQFOFKBTBGBTIZ-QZTJIDSGSA-N 369.440 2.352 0 40 FEAB CCn1c(SCC(=O)NCCc2ccccc2)nc2ncccc2c1=O 32876486 MOKVQBYQNPMFEQ-UHFFFAOYSA-N 368.462 2.262 0 40 FEAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 11903991 MRNLSWGMWYHUIQ-GFCCVEGCSA-N 374.418 2.260 0 40 FEAB Cc1cccc(O[C@@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 7814394 OMBTXGSYQUNHBW-NSHDSACASA-N 362.407 2.105 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCc2c1cnn2C 47490296 ZZBXUVMLMSXZGA-NHYWBVRUSA-N 360.845 2.386 0 40 FEAB Cc1cc(SC[C@H](NC(=O)CCC(=O)O)C(=O)O)c2ccccc2n1 12526590 GECLDGPLUQRBHM-ZDUSSCGKSA-N 362.407 2.070 0 40 FEAB Cc1noc(COC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)n1 25445764 AAKYLDUJXFODPS-VIFPVBQESA-N 353.375 2.321 0 40 FEAB CN([C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 108109223 JFJVQXPHDLKODV-CVEARBPZSA-N 355.404 2.356 0 40 FEAB COCCn1cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c2ccccc21 57433002 ZKIZGLDVIMVNCQ-UHFFFAOYSA-N 369.465 2.419 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc2ccccc2s1 10023781 ORXQYKCAWAMVIW-DGCLKSJQSA-N 350.465 2.395 0 40 FEAB O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 2183632 UOENOYYECINOMP-SFHVURJKSA-N 374.460 2.155 0 40 FEAB CCn1cc(Br)cc1C(=O)Nc1nc(CC(N)=O)cs1 58265542 ITYAWSUAPIJNHJ-UHFFFAOYSA-N 357.233 2.007 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 58309747 LALGUHGTKYVYHW-YOEHRIQHSA-N 361.442 2.377 0 40 FEAB O=C(C[C@H]1CCCO1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58325193 VNTDSWKGNSFNEJ-MRXNPFEDSA-N 352.394 2.052 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 10642121 VVLUFXFCBWSOCG-HNNXBMFYSA-N 373.434 2.001 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(Cl)c1 12735289 DPLDKAQBIKTRFX-AWEZNQCLSA-N 366.826 2.090 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2ccc3[nH]cnc3c2)N2CCOCC2)o1 48289682 QFGULTTVRFEPSY-QGZVFWFLSA-N 354.410 2.268 0 40 FEAB NC(=O)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1 12900118 QRXRIZZAGFNEBK-UHFFFAOYSA-N 355.419 2.253 0 40 FEAB CCCNc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1 8249902 SCVMHXXQGGVGJR-UHFFFAOYSA-N 374.513 2.179 0 40 FEAB CC(=O)Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)cs1 8268652 SDTQTSJTZYRJSM-UHFFFAOYSA-N 361.379 2.143 0 40 FEAB CCOC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@H]1CCCO1)n2C 13726733 NXIPIGCIHZBXRR-MRXNPFEDSA-N 374.441 2.370 0 40 FEAB Cc1cc(NC(=O)c2cccc(-n3cnnn3)c2)ccc1N1CCCC1=O 14112397 RNZNZLZSJYXLKG-UHFFFAOYSA-N 362.393 2.350 0 40 FEAB CCOCCCNC(=O)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 14112498 HCNLHWTWLIRKDW-LLVKDONJSA-N 366.389 2.147 0 40 FEAB Cc1ccc(NC(=O)NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 4549120 CGMYZWDAARUSLN-UHFFFAOYSA-N 350.382 2.305 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccc(Cl)cc2)o1 28575287 MYLMSKQETKICEL-LBPRGKRZSA-N 369.826 2.429 0 40 FEAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 4912508 KFPZQEGIGTXDDM-UHFFFAOYSA-N 365.437 2.143 0 40 FEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 15575907 REPBZADWUGYFFP-UHFFFAOYSA-N 367.361 2.229 0 40 FEAB COc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 7239038 XWELLGGKDAVEOB-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB CCCCCNC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9690580 YJGBMODQSUEFEW-AWEZNQCLSA-N 363.483 2.154 0 40 FEAB Cc1cc(C)cc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)c1 306135045 OFVJCIBJKSYYDR-ROUUACIJSA-N 367.497 2.337 0 40 FEAB CCc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)cc1 306127684 GETASFKCPCGMSS-IRXDYDNUSA-N 365.481 2.037 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnc(NC(C)C)s1 9451435 AONRFUCQHSAZKA-SNVBAGLBSA-N 360.505 2.154 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 9548325 ISIMOFNEYVOADR-HNNXBMFYSA-N 352.390 2.460 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1F 95430089 GREPQEJMWOARNI-BMIGLBTASA-N 356.394 2.125 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@H](C)O[C@@H](C)C1 32975496 YEGGAIALAMTOAD-MQIPJXDCSA-N 354.397 2.355 0 40 FEAB Cc1cc(N2CCC(C(=O)NCCc3ccccc3)CC2)n2ncnc2n1 35310945 WGEAEENQRLBNMF-UHFFFAOYSA-N 364.453 2.008 0 40 FEAB COc1ccccc1N1CCN(CCNC(=O)Cc2cccs2)CC1 56997312 BRPVGEBXVQOLME-UHFFFAOYSA-N 359.495 2.238 0 40 FEAB CS(=O)(=O)c1cc(CNc2ncnc3c2CCC3)cc(C(F)(F)F)c1 557688516 NZYQZHXFGILCJP-UHFFFAOYSA-N 371.384 3.000 0 40 FEAB Cc1ccccc1OC[C@@H](O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32907299 KIOQJVBWYJCZEP-HNNXBMFYSA-N 374.462 2.329 0 40 FEAB COC(=O)[C@@H](Cc1ccc(Br)cn1)NC(=O)OC(C)(C)C 66054716 NYOJIOILNSLTLC-LLVKDONJSA-N 359.220 2.453 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC1CCCC1 217631062 GMBCHRWAPKTXPG-ZDUSSCGKSA-N 368.455 2.197 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)s1 223797502 NHWNTCCQVISWDU-SNVBAGLBSA-N 354.457 2.153 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 225104988 CZBBDNPDBQWNQF-UHFFFAOYSA-N 369.826 2.484 0 40 FEAB COCCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cn1 225917247 BDGMJSIXADGWKK-UHFFFAOYSA-N 362.382 2.390 0 40 FEAB O=C(c1ccncc1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239686 WFBXIHRXDUCCHZ-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB COc1cc(N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)ncn1 96106212 BSLFMXKCYNLWFK-OAHLLOKOSA-N 356.426 2.335 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@@H]1c1ccc(F)cc1 96181825 BIQMPFVSPYGWNE-AEFFLSMTSA-N 358.417 2.138 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333302169 QGEFGPVOVNMMCH-BMHLXIAXSA-N 356.397 2.307 0 40 FEAB COCCN(C)c1ccc2ccc(C(=O)NCCc3ccncc3)cn12 96146130 SYPSEUIGZYFWJT-UHFFFAOYSA-N 352.438 2.389 0 40 FEAB CCN1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 249680484 ALKFUBDKEXSQQR-BQBKMSKFSA-N 354.450 2.211 0 40 FEAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(CC(N)=O)CC[C@@H]3O[C@H]21 257314273 UWDNOKZMDIVCCQ-OYUZRVEBSA-N 360.454 2.120 0 40 FEAB Cc1c(C(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)[nH]c2ccc(F)cc12 257295066 QWWAJTFCFPSRBN-HOTGVXAUSA-N 359.401 2.077 0 40 FEAB Cn1cc(CC(=O)N2C[C@H]3CC[C@]3(Nc3nc4ccccc4o3)C2)cn1 1615831920 HXEQHZRUILIGFI-KUHUBIRLSA-N 351.410 2.207 0 40 FEAB Cn1cc(N2C[C@@H](c3nc(-c4ccc(C(F)F)nc4)no3)CC2=O)cn1 624653953 YARLFEXZPHJONZ-JTQLQIEISA-N 360.324 2.323 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1 625600015 ZUPRDVJNKSWPHG-BLLLJJGKSA-N 353.419 2.303 0 40 FEAB CC(C)=CCN1CCC2(CC1)OCC[C@@](C)(NC(=O)c1ccncc1)[C@@H]2O 1772705418 HOWVJPCFMBLJLL-VQTJNVASSA-N 373.497 2.152 0 40 FEAB C[C@@H]1CCCN1CC(=O)NCc1cccc(NC(=O)CN2CCC[C@H]2C)c1 1776002403 AZLYQCNQQKVWLU-IAGOWNOFSA-N 372.513 2.210 0 40 FEAB O=C(NCCn1ccc(-c2ccncc2)n1)c1ccc2nsnc2c1 96026137 DOYXJPRYHZBESC-UHFFFAOYSA-N 350.407 2.380 0 40 FEAB O=C(CC1CCOCC1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112549 RBDYOPJHVFTRSS-LJQANCHMSA-N 369.465 2.478 0 40 FEAB CNc1cnc(C(=O)N2CC[C@@](COc3ccccc3C)(OC)C2)nc1 585276977 QVRHIMCURFJZFN-LJQANCHMSA-N 356.426 2.137 0 40 FEAB CNC(=O)c1cccc(NC(=O)CNC2(c3noc(C)n3)CCCCC2)c1 48277888 BHOSHPGEQHWEHC-UHFFFAOYSA-N 371.441 2.125 0 40 FEAB COc1ccccc1CN1CCCN(C)CCN(C)CCCN(C)CC1 68604341 IUEZULGGTUIKGI-UHFFFAOYSA-N 362.562 2.086 0 40 FEAB biogenic Cc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1C 12870468 WLPQKTHTBNPJSF-UHFFFAOYSA-N 374.462 2.133 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)Cn1cnc3ccccc31)C2=O 13511095 MJHYAWVSCVHURZ-MNVSYLFESA-N 355.438 2.209 0 40 FEAB CC(C)CCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585806 CBSKBDVQFZBQRO-UHFFFAOYSA-N 356.469 2.050 0 40 FEAB Cc1c(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)cnn1C 19553653 ZZWTVDRCQFGATG-OAHLLOKOSA-N 357.458 2.332 0 40 FEAB C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccnc1OCc1ccccc1F 554613241 UDXWGLTYOUOAJU-MLGOLLRUSA-N 357.385 2.197 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 1888856807 PPIGCGNKTLHEPF-UHFFFAOYSA-N 366.347 2.195 0 40 FEAB O=C([C@@H]1CN(Cc2c(F)cccc2Cl)CCO1)N1CCSCC1 1888910400 ZKVHPCZITBUCDG-HNNXBMFYSA-N 358.866 2.255 0 40 FEAB Cn1cc(-c2ccc(CCNC(=O)C(=O)NCc3cccs3)cc2)cn1 1889219241 RDXRBULDNLIPQG-UHFFFAOYSA-N 368.462 2.124 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 5195291 FRFFBANZFXDPLA-AWEZNQCLSA-N 370.405 2.248 0 40 FEAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3)CC2=O)cc1 9035628 FQTNOOSVTBWDQF-AWEZNQCLSA-N 360.435 2.027 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NCc1cccnc1 9827929 MDUKOXDCBDJMAE-UHFFFAOYSA-N 350.378 2.416 0 40 FEAB Cc1ccc(CNC(=O)C(=O)NCCCc2ccc(N(C)C)cc2)cc1 11027390 BVISBTULHXJXOB-UHFFFAOYSA-N 353.466 2.426 0 40 FEAB CCc1nccn1CC1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 1849707144 LLJQQGUJHUYFDT-UHFFFAOYSA-N 369.874 2.428 0 40 FEAB Cc1nc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc2s1 13789932 NVEMCJINFMBCFA-NSHDSACASA-N 353.469 2.215 0 40 FEAB COc1nn(C)cc1C(=O)Nc1nnc(SCc2ccccn2)s1 21011246 IUUMZZCYFDKMAS-UHFFFAOYSA-N 362.440 2.220 0 40 FEAB O=C([C@H]1CCCN(c2ncnc3ncccc23)C1)N1CCC(F)(F)CC1 2298047896 ROPHSVWBPJSAIY-ZDUSSCGKSA-N 361.396 2.499 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NC(C)C)c(=S)[nH]c2c1 12416140 VCDFYJAEORVVQQ-UHFFFAOYSA-N 363.439 2.150 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)c1nnn(-c2ccc(Cl)cc2)n1 77100348 GJHDHQQVNGMWOC-UHFFFAOYSA-N 371.784 2.379 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 40090106 GXWSWJRIPKGPJR-LBPRGKRZSA-N 360.435 2.484 0 40 FEAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1nnc2n1CCCCC2 40012937 NBWJJFZWNDLRTC-UHFFFAOYSA-N 364.453 2.439 0 40 FEAB COc1ccc2ccc(OC)c([C@H]3NC(=S)NC(C)=C3C(N)=O)c2c1 2480156 ZHTGWEHMCWRQHR-INIZCTEOSA-N 357.435 2.135 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCCC2=O)cc1 7124500 BCXCPZPXPWVSTB-UHFFFAOYSA-N 352.390 2.468 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 8195841 MCIOLKCBAWFALJ-LLVKDONJSA-N 362.879 2.320 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCCC2)C1 60064832 NZYQFZHCTZMHSU-MRXNPFEDSA-N 368.474 2.178 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3C[C@H](O)C[C@H]3C(N)=O)c2c1C 108920652 UVJOJMKRWKNJJU-MNOVXSKESA-N 374.491 2.462 0 40 FEAB CNC(=O)C1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 52329752 SEUXXHVSVXLQRH-FQEVSTJZSA-N 357.498 2.492 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccnn1C1CCCC1 32983079 QAUDAXKLUJYONF-GJZGRUSLSA-N 356.426 2.278 0 40 FEAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 2620876 HZRJEVPRVYDMFP-QMMMGPOBSA-N 353.835 2.294 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCC1 9667953 HBOAPHILWOVAOC-UHFFFAOYSA-N 366.483 2.253 0 40 FEAB COc1cc(Br)c(CNCC(=O)N2CCCC2)cc1OC 42207072 QOJGBHLPYBHYGO-UHFFFAOYSA-N 357.248 2.178 0 40 FEAB C[C@@H]1CCc2c(sc3nnn(CC(=O)NC4CCCCC4)c(=O)c23)C1 807696 QPQSBZABQUNFGP-LLVKDONJSA-N 360.483 2.427 0 40 FEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 12322911 ZZNPPAFMPPSTPJ-LBPRGKRZSA-N 354.428 2.175 0 40 FEAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 23445500 DGRMRPKHHHBINS-KGLIPLIRSA-N 362.451 2.287 0 40 FEAB CC(C)(C)C(=O)NCCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 42659867 JTBCZEJRXSIACS-UHFFFAOYSA-N 374.485 2.352 0 40 FEAB O=C(NCCN1CCCS1(=O)=O)c1cc2c(ccc3ccccc32)[nH]1 61597911 FFPIESZSLAFXNS-UHFFFAOYSA-N 357.435 2.086 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)n12 57730997 IPLUBVYIBHYXGR-OKILXGFUSA-N 367.453 2.396 0 40 FEAB COC(=O)Cc1c(C(=O)OC)sc(-n2c(C)ccc2C)c1C(=O)OC 1398620 CXCMPKVCPQFAIM-UHFFFAOYSA-N 365.407 2.444 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 57403163 KESXZXOMVMIQKG-HNNXBMFYSA-N 371.437 2.382 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 58163649 DRLJXOJZZIIGSW-JQWIXIFHSA-N 355.822 2.154 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H](C(F)(F)F)C1 10286768 AQXSYXXHXAWZPA-NSHDSACASA-N 354.328 2.474 0 40 FEAB O=C(NCCC(=O)N1CCCCCC1)NCCc1ccc2c(c1)OCO2 58268264 UMXPLFYAMIHREC-UHFFFAOYSA-N 361.442 2.050 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 58316567 FZTQFZPQSGILIB-JKSUJKDBSA-N 370.902 2.374 0 40 FEAB CCN(C(C)=O)c1nc(CN2CCCN(C[C@@H]3CCCO3)CC2)cs1 58419431 OXVOULIQIIFCKE-KRWDZBQOSA-N 366.531 2.203 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 58565053 VZBQARXWLAPRST-SFHVURJKSA-N 374.462 2.151 0 40 FEAB CN(C)C(=O)C1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 45292472 AKOQEKCWLJIQOV-UHFFFAOYSA-N 356.466 2.465 0 40 FEAB COCCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2ccccc2c1=O 3326059 OPNLXPHISJUOGO-ZDUSSCGKSA-N 363.483 2.296 0 40 FEAB O=C(OCc1nc(-c2ccccc2)no1)[C@H]1CC(=O)N(Cc2ccco2)C1 12796917 OKLYDTISTUCKIR-AWEZNQCLSA-N 367.361 2.422 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]1 12826143 KPYFUTBIOQRYNN-MRXNPFEDSA-N 367.449 2.278 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1=O 13004576 ZGFHMRRQIHDBDE-IJEWVQPXSA-N 357.454 2.124 0 40 FEAB CCCn1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c1=O 13730585 WJULFUWXEDJBAS-UHFFFAOYSA-N 371.466 2.137 0 40 FEAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccccc2F)OC(N(C)C)=N1 4536101 QPGMLESNMYGERB-CQSZACIVSA-N 361.295 2.342 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CC)CC2)cc1 26976617 YKUSDRHUZSPXIO-AWEZNQCLSA-N 368.499 2.401 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2cc(C)ccc2O)cc1OC 5680231 QEBRZMOVXYVSKK-UHFFFAOYSA-N 373.405 2.234 0 40 FEAB CCOC(=O)c1cc(NC(=O)NCCCN2CCCC2=O)c(C)nc1C 5861225 PQGPRFCEGDUWEO-UHFFFAOYSA-N 362.430 2.009 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)n1 408617984 BOXDWGYQKBXURL-JXMROGBWSA-N 372.498 2.979 0 40 FEAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 5938423 CNOQYUYCVWXFSP-UHFFFAOYSA-N 374.418 2.300 0 40 FEAB COc1ccc(NC(=O)COC(=O)Cc2ccccc2OC)c(OC)c1 7034851 IXBRCZRZKZIBAD-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9225907 AEHGTHWPTPMYOX-GJZGRUSLSA-N 368.499 2.319 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164726 FJLPGBYUSWEKLX-VAWYXSNFSA-N 370.474 2.374 0 40 FEAB CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 8274481 KSFBQTGCSYBUFH-UHFFFAOYSA-N 355.460 2.401 0 40 FEAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 71768138 LMXGTYCOKHTAAY-UHFFFAOYSA-N 354.435 2.404 0 40 FEAB CC(C)Cn1ccnc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 71846875 MZMHBVOMEXTQIK-UHFFFAOYSA-N 368.459 2.461 0 40 FEAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(C(=O)C2CC2)CC1 96983478 OMEUNYWDZCIZEA-CQSZACIVSA-N 352.438 2.116 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 20492158 RZCTXEWQKIZYOD-ZDUSSCGKSA-N 352.456 2.477 0 40 FEAB COc1cccc(-c2nc(Cn3cccc(-c4nc(C)no4)c3=O)no2)c1 77100834 NBIQCQMGDICELF-UHFFFAOYSA-N 365.349 2.314 0 40 FEAB CNc1nc(NCCCOCC2CC2)nc(NCCCOCC2CC2)n1 79099297 ZALYIYSZYWUYSA-UHFFFAOYSA-N 364.494 2.371 0 40 FEAB COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2ccccn12 89400652 XVFAJXADEWWAQQ-NSHDSACASA-N 371.846 2.094 0 40 FEAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 89553122 LTHILNBXNCAKAS-WTNCMQEWSA-N 374.418 2.333 0 40 FEAB COc1cc(COC[C@H](O)CN2CCC(C)CC2)cc(OC)c1OC 6308212 YAAFCTKXTHNSEV-MRXNPFEDSA-N 353.459 2.322 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409190465 OBNYTTVVISQWMG-UHFFFAOYSA-N 362.451 2.069 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)no3)n2)cc1 38670934 BRHYLIIHCKGNOR-LBPRGKRZSA-N 354.366 2.415 0 40 FEAB COc1ccc(C)cc1-n1ccc2c(cnc3nc(SC)nn32)c1=O 30875406 RKSOFJPTGVVDLP-UHFFFAOYSA-N 353.407 2.467 0 40 FEAB Cn1c(NC(=O)c2sc3cc(F)ccc3c2Cl)cc(=O)n(C)c1=O 32610435 UOPCCUGWDNMMAU-UHFFFAOYSA-N 367.789 2.344 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)cc1 47080987 NQZVUPKYLSCLCZ-UHFFFAOYSA-N 355.394 2.087 0 40 FEAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)cc1 224852198 JGBKWJPXRJLWFS-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccc2nn[nH]c2c1 564363963 OGDGKWXWIYRBIH-UHFFFAOYSA-N 354.345 2.269 0 40 FEAB COc1cncc(O[C@@H]2CCN(C(=O)c3nc4ccccc4s3)C2)n1 225393952 DBSIJICKCNNMBK-LLVKDONJSA-N 356.407 2.388 0 40 FEAB Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CC2)c1 225487408 WIXWOHYWMVMYQD-UHFFFAOYSA-N 350.466 2.483 0 40 FEAB Cc1cccc(-n2cc(C(=O)N3C[C@H](N)CC[C@@H]3C(F)(F)F)nn2)c1 583619893 VVTFBDCKPHNHMC-BXUZGUMPSA-N 353.348 2.070 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)cc1 96226984 KSULYFPOXWMFQI-UGKGYDQZSA-N 363.461 2.488 0 40 FEAB Cc1cccc(N2CCC[C@]3(C2)CN(S(=O)(=O)C2CC2)CCO3)c1 96226265 WIPYJTMFAUIMFM-SFHVURJKSA-N 350.484 2.158 0 40 FEAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 97953811 DRWDEMAXIWZWPO-QXAKKESOSA-N 355.438 2.013 0 40 FEAB CCC1(CC)CN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CCS1(=O)=O 585083726 BOQOCXUBBQQPRS-NSHDSACASA-N 356.410 2.326 0 40 FEAB COCCC(=O)N[C@@H]1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 585137640 LRQRHTIIIZMGDJ-RWMBFGLXSA-N 372.391 2.253 0 40 FEAB C[C@]12CCN(CC(N)=O)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257275456 NPMJICMGTKFGIS-YOEHRIQHSA-N 369.387 2.146 0 40 FEAB C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1onc2c1CCCC2 613132696 OONOKXXAHTWICC-GFCCVEGCSA-N 352.394 2.082 0 40 FEAB CCn1cc(C(=O)N2CCCc3ccc(C(N)=O)nc32)c(C(F)(F)F)n1 622932380 LWBHUWMMEXWLPK-UHFFFAOYSA-N 367.331 2.009 0 40 FEAB Cc1nc2ccccc2nc1CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 60384945 FCTHVFVFMXSNNV-LBPRGKRZSA-N 357.439 2.294 0 40 FEAB O=C(NC1CC(F)(F)C1)C1=NO[C@]2(CCCN(Cc3nccs3)C2)C1 585101119 FOHKPROFIGOBEP-OAHLLOKOSA-N 370.425 2.168 0 40 FEAB COc1ccc(CN(C)C(=O)CSc2nnnn2CC(C)C)cc1F 58415283 WPKIQAGANUZSFJ-UHFFFAOYSA-N 367.450 2.228 0 40 FEAB Cc1ccc2oc(N3C[C@@H](NC(=O)C4CC4)[C@H](c4nccn4C)C3)nc2c1 1615547470 FVULIRNUXYEABS-GDBMZVCRSA-N 365.437 2.368 0 40 FEAB COc1cc(C)cc(CCNS(=O)(=O)c2csc(C(=O)O)c2)c1 1616048758 IAVDKSLFMFPVQG-UHFFFAOYSA-N 355.437 2.284 0 40 FEAB CCSc1nnc([C@@H]2CCCN2CC(=O)NCc2cccs2)n1C 5001605 MYOFVLDWSSGDSB-ZDUSSCGKSA-N 365.528 2.442 0 40 FEAB Cc1nn(CC(=O)NC[C@H](C)c2ccccc2)c(=O)c2cc3occc3n12 5149270 WEVALMHGEXKLAO-ZDUSSCGKSA-N 364.405 2.471 0 40 FEAB CN(C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)C1CCCCC1 12146227 YFEPHAWFEZPGLJ-SFHVURJKSA-N 369.465 2.429 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)C1 12146281 WEFVFOWXMRGFKE-RVKKMQEKSA-N 369.465 2.142 0 40 FEAB Cc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 12184308 SCNMQNAORIRCJP-IYBDPMFKSA-N 368.481 2.250 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl 13340031 REOKETPCVCYHTG-UHFFFAOYSA-N 369.782 2.245 0 40 FEAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 15334705 WBVBVFAPTKWSIN-YOEHRIQHSA-N 359.447 2.424 0 40 FEAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)C3CC3)C[C@]23CCCCC(=O)N3)c1 19022848 RNYPXXIPKNTLAO-GHTZIAJQSA-N 369.465 2.410 0 40 FEAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 19573658 AMFZWMZXLUHNLM-HIFRSBDPSA-N 358.417 2.197 0 40 FEAB CN1CCc2nc([C@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 19590517 AFFXMRILAVUPDC-GOSISDBHSA-N 352.438 2.207 0 40 FEAB O=C1CC[C@@H](CCC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)N1 19717316 KCFBFHHFACLNSA-ZDUSSCGKSA-N 369.387 2.413 0 40 FEAB COc1ccc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC 4287682 QXNOZVRFDGVOOV-UHFFFAOYSA-N 360.410 2.387 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@@H]4C3)n1)CCC2 1888866950 GKAIUMYLJNWNFC-GJZGRUSLSA-N 367.428 2.016 0 40 FEAB Cc1cc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)on1 32171811 QKYCKLOIQOBSML-GOSISDBHSA-N 357.366 2.112 0 40 FEAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 34894822 TZVSHOKYVCJEGS-HNNXBMFYSA-N 353.422 2.015 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C(=O)c2c(C)n(C)c3ccccc23)C1 4062407 HWOJBRAFOQUUCI-AWEZNQCLSA-N 356.422 2.471 0 40 FEAB Cc1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(C(N)=O)c1C 5144880 DXWBPPWGJRCAQY-UHFFFAOYSA-N 371.418 2.370 0 40 FEAB CCN1CCOc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C1=O 8961614 CKOUJMFWQKTLGJ-UHFFFAOYSA-N 364.398 2.481 0 40 FEAB COc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(CO)cc1=O 12230779 IBYYDWKLBAYMTA-UHFFFAOYSA-N 357.193 2.295 0 40 FEAB Cc1nnc2ccc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nn12 1775965575 DMSDUDAQGOQGBK-UHFFFAOYSA-N 365.441 2.396 0 40 FEAB O=C([C@H]1CN(c2cc(C3CCC3)ncn2)CCO1)N1CCC(F)(F)CC1 2086884742 RLPKAXDHBDMFNM-OAHLLOKOSA-N 366.412 2.207 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(Cc3n[nH]c4c3CCC4)CC2)n1 2086861419 MULAAMOMZNFTRD-UHFFFAOYSA-N 358.515 2.349 0 40 FEAB CC(=O)Nc1ccc(CC(=O)NCCCc2cnc3cc(C)nn3c2)cc1 206821937 PRRDDXGVQSYEAY-UHFFFAOYSA-N 365.437 2.288 0 40 FEAB Cn1cc(-c2ccc(CNC(=O)Cc3ccc4c(c3)OCO4)cn2)cn1 575616784 PNIVCMWPMSZQMO-UHFFFAOYSA-N 350.378 2.070 0 40 FEAB COc1ccc(CCNC(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 75155494 WUCDIQVARQVWLR-HXUWFJFHSA-N 372.421 2.173 0 40 FEAB O=S(=O)(NC[C@H](O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 75171898 WEMPYTFOCORUIO-LBPRGKRZSA-N 351.302 2.190 0 40 FEAB CN1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 50079484 YHIWKOSOXDHWMR-LJQANCHMSA-N 351.450 2.322 0 40 FEAB O=C(CS(=O)(=O)Cc1cccc(Cl)c1)NCCOc1ccccc1 40105982 ZCGOUXDDBPQZKI-UHFFFAOYSA-N 367.854 2.450 0 40 FEAB CN(CCCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)CC(F)(F)F 40107502 QKZCAHROSMSTMY-LBPRGKRZSA-N 361.339 2.252 0 40 FEAB O=C(NC[C@H](O)c1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 31316480 YNNUFCMTWBTFKJ-ROUUACIJSA-N 372.396 2.407 0 40 FEAB CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)Nc4cccnc4)C3)nn12 32094265 SDBDEZAZEWZIAG-CQSZACIVSA-N 365.441 2.498 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCCOC(C)C)cc1 6327833 AIFHDXKHOXJWDK-UHFFFAOYSA-N 370.515 2.237 0 40 FEAB CCN(CC)[C@@H](CNC(=O)CN1CCSC1=O)c1cccc(OC)c1 21071398 OFMSGPYFYODSJB-INIZCTEOSA-N 365.499 2.363 0 40 FEAB Cc1cnc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cn1 32903585 JJNWSVQZBYSUBD-UHFFFAOYSA-N 360.845 2.275 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC)c2)cc1 9467972 NLEUIROFZKNKHI-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB COc1cc(NC(=O)c2ccc(Br)o2)cc(-n2cnnn2)c1 2760658 RPLLBLCXXLVONL-UHFFFAOYSA-N 364.159 2.279 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)COc2ccccc2C)c1 55693408 CGYFBPUEFHWUEF-AWEZNQCLSA-N 362.451 2.100 0 40 FEAB C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(N)=O 8709296 OCYNWQCHWXHPCY-UPJWGTAASA-N 363.487 2.368 0 40 FEAB COc1ccc2c(C)c(CCC(=O)NCCCN(C)C)c(=O)oc2c1C 8791003 NTWIEXVXMPWHSQ-UHFFFAOYSA-N 360.454 2.419 0 40 FEAB biogenic O=c1c2ccccc2nnn1CN1CCN(C/C=C/c2ccccc2)CC1 22794486 UYRKVGIYZHYTMA-RMKNXTFCSA-N 361.449 2.080 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)NCc1ccccc1 104371366 PJPRVAIANQQOMV-SJPXOZHESA-N 366.417 2.412 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN(CCn3c(C)csc3=O)C2)n1 54204272 LVWRRJKQKOCXBY-OAHLLOKOSA-N 360.483 2.272 0 40 FEAB COc1cc(Br)c2c3c1O[C@@H]1C[C@@H](O)C=C[C@]31CCNC2 34033247 AFUUXYKUROZLEN-LQBHMHGISA-N 352.228 2.271 0 40 FEAB O=C(N[C@H]1C(=O)NN[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1133443 VRFUCLCZLADMLG-ZIAGYGMSSA-N 350.205 2.468 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102082109 JOQQJANBTSRGTP-OPZLCJORSA-N 366.417 2.075 0 40 FEAB O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 56085427 IFPHJKQRRLCUMK-CYBMUJFWSA-N 365.368 2.398 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CCNC2=O)c1 44574594 PJOKTWFROIYZPY-HNNXBMFYSA-N 358.442 2.192 0 40 FEAB CC1(C)CCC(C)(C)c2cc(C(=O)NCCN3C(=O)CNC3=O)ccc21 113192338 BTLXHECZZACQMP-UHFFFAOYSA-N 357.454 2.317 0 40 FEAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@H]1c1ccc[nH]1 58155005 UVUFMYNFQFHMGO-KRWDZBQOSA-N 359.451 2.433 0 40 FEAB CC(=O)Nc1cccc(CNCc2ccccc2OCC(=O)N(C)C)c1 58245104 KYZSKSAPIWNGPJ-UHFFFAOYSA-N 355.438 2.402 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2N2CCOCC2)c1 58215084 FEHXVSBCNHKIOE-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@@H]1c1ccc(O)cc1 58224822 VPJSATULTVQVEA-GOSISDBHSA-N 374.462 2.424 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nncn2-c2ccccc2OC)CCO1 58280834 VDPTUQUHEJGWKT-CYBMUJFWSA-N 362.455 2.005 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 12553218 HHWYIMBIDFGGNR-HNNXBMFYSA-N 359.449 2.325 0 40 FEAB O=C(CN1CCc2sccc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 10341391 OPHVWCOADFCUIU-UHFFFAOYSA-N 373.434 2.226 0 40 FEAB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1 12608909 QTCVIRAIQZRTBC-QGZVFWFLSA-N 354.385 2.203 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NCCCOCc3ccccc3)cnc12 12689490 LSTNOYFDLFYRCO-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB C[C@H]1CN(c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)C[C@H](C)O1 28218648 CKIDFOPIGQMOPJ-GJZGRUSLSA-N 370.457 2.065 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@H]4CCCO4)c3)C(=O)[C@H]21 408673218 QICFCSVZIFAVFZ-ZSGPHXLJSA-N 368.433 2.297 0 40 FEAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCC(F)(F)F 7781633 GATAZKQCQRJSBR-SSDOTTSWSA-N 365.768 2.475 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccco2)cc1 12820413 BXNRHOXAAFZDAR-UHFFFAOYSA-N 366.439 2.004 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCCC[C@H]1C 3491506 LGPQEMGSKRQONA-CYBMUJFWSA-N 361.471 2.472 0 40 FEAB COc1ccc(CCC(=O)N2C(=O)c3cccc(N)c3C2=O)cc1OC 3415208 ULALKUXSARNSJM-UHFFFAOYSA-N 354.362 2.041 0 40 FEAB CCN(C(=O)Cc1coc2cc(OC)ccc12)[C@@H]1CCS(=O)(=O)C1 7967511 MHGFMOBGVPQZLK-CYBMUJFWSA-N 351.424 2.020 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCOc2ccccc21 8029410 JFEKWWZYPLNRFQ-HNNXBMFYSA-N 352.390 2.442 0 40 FEAB CN(C)C(=O)CN1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 13691950 RORATOBWKSBNOL-UHFFFAOYSA-N 374.432 2.108 0 40 FEAB COc1ccc(NC(=O)c2ccc(NC(=O)CCNC(C)=O)cc2)cc1 8291166 IJLYENZDGBQGSK-UHFFFAOYSA-N 355.394 2.412 0 40 FEAB CC(C)(C)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 5278613 OHDKCLJNOIAEBR-UHFFFAOYSA-N 359.451 2.420 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(-c3ccccc3)on1)CS2 65498764 UQZMQJMNNWBOSK-KDOFPFPSSA-N 357.435 2.412 0 40 FEAB COc1ccc2cc(CNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1 14198134 KBIQPZWYHPGMJO-ZIAGYGMSSA-N 364.467 2.292 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1 14239679 QDZLIDROKRYBCM-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB C[C@H]1Cc2ccccc2N1CCNC(=O)c1cccnc1N1CCOCC1 65926696 FKSFSPYYHMJNRG-INIZCTEOSA-N 366.465 2.099 0 40 FEAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1n[nH]c2ccccc12 6649792 JYGTVMIDHYPNGX-GOSISDBHSA-N 365.389 2.320 0 40 FEAB CC1=NN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@@](C)(O)C1 4700104 QHGVBSVAFXSYFD-RXVVDRJESA-N 365.433 2.344 0 40 FEAB Cc1cc(C)c2c(n1)oc1c(SCC(=O)N3CCOCC3)ncnc12 6760002 ATEFMXBGXZJYSL-UHFFFAOYSA-N 358.423 2.339 0 40 FEAB CNc1nnc(SCC(=O)c2ccc(CCNC(C)=O)s2)s1 8751205 MIXBYTSKSXDJBL-UHFFFAOYSA-N 356.498 2.295 0 40 FEAB O=C(NCc1[nH]ncc1Br)Nc1nc2c(s1)COCC2 89761995 SLMUOIAJMUXIDH-UHFFFAOYSA-N 358.221 2.023 0 40 FEAB CC(=O)Nc1nc(CN2CCC(NC(=O)c3ccccc3)CC2)cs1 25827757 DTIFPCHYTVZODW-UHFFFAOYSA-N 358.467 2.496 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)c(Br)c1 9376222 ULALWTWUVPMQLU-ZDUSSCGKSA-N 368.231 2.272 0 40 FEAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541365 QIZZCFPLLRZODQ-SNVBAGLBSA-N 367.334 2.439 0 40 FEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCn2nc(C)nc21 83740539 XNZVOZWOPVGEFZ-CABCVRRESA-N 371.441 2.293 0 40 FEAB CCn1cnnc1CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 72313656 IYFCSFOJTZVKMY-CYBMUJFWSA-N 368.482 2.037 0 40 FEAB CN(CC(=O)NCc1cccs1)C(=O)C(C)(C)n1cc(Cl)cn1 75611000 XLLVMNSBNODXQI-UHFFFAOYSA-N 354.863 2.108 0 40 FEAB O=C1NCc2cccc(NS(=O)(=O)c3c(Cl)ccnc3Cl)c21 95452405 WFZRQAIQVCXADE-UHFFFAOYSA-N 358.206 2.433 0 40 FEAB O=c1oc2ccccc2n1CCNS(=O)(=O)c1cc2ccccc2o1 84937873 PWMHXVFFJPQHSY-UHFFFAOYSA-N 358.375 2.319 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccncc2Br)c1 95976383 GODYGCUIRKQWSJ-UHFFFAOYSA-N 371.212 2.432 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1C 408560358 OSFCNVGNKSKDIM-CQSZACIVSA-N 366.483 2.073 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 35311576 AKJGDQIQAZUPKQ-OAHLLOKOSA-N 367.515 2.434 0 40 FEAB O=C(NC[C@@H](O)c1ccccc1)c1c(-n2cnnn2)sc2c1CCCC2 32073725 ZVQJSTVGVIPZBC-CQSZACIVSA-N 369.450 2.066 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccccc1)O2 219398257 KUVLXWYJDCNTKK-KDOFPFPSSA-N 374.462 2.399 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCN1CCN(c2ccccc2F)CC1 56997426 MRBJINQEBQNJKD-UHFFFAOYSA-N 359.420 2.446 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72360267 RMOCILULGRARSG-ZDUSSCGKSA-N 368.426 2.147 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CO)C(=O)O)cc1 218401202 DSHNHVNKAHUZPF-LNLFQRSKSA-N 360.431 2.306 0 40 FEAB COC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1 35151700 REKUWPUEFOMNRC-UHFFFAOYSA-N 356.216 2.240 0 40 FEAB CN(Cc1nc2c(s1)CCCC2)C(=O)c1cnc2sccn2c1=O 83013143 UPTZKOFFLJZSIQ-UHFFFAOYSA-N 360.464 2.364 0 40 FEAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(C)=O)s2)c1 223748040 ULCZVZFYKPKKDE-UHFFFAOYSA-N 368.484 2.100 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 222985889 VPCAHGFIVOVOQM-UHFFFAOYSA-N 374.871 2.357 0 40 FEAB COc1ccc(Cc2nc([C@H]3CCS(=O)(=O)C3)no2)cc1OC(F)F 528097070 JVOFMHDPOVKLIA-JTQLQIEISA-N 374.365 2.173 0 40 FEAB Cc1nc(CN2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)cs1 96229284 BUAZPQSEKSGXAY-GOSISDBHSA-N 359.499 2.361 0 40 FEAB Cn1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2c1=O 95475646 WLUWJLOHCWRRKH-UHFFFAOYSA-N 365.389 2.276 0 40 FEAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(c3ncccn3)C2)C1)c1ccccc1 96225735 JAVJXAJYQRQLEN-QRWLVFNGSA-N 365.437 2.122 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2)CN(C)C(=O)C1 96113259 LTGDFRQNOPOHRS-QZTJIDSGSA-N 373.497 2.302 0 40 FEAB biogenic,in-vitro CCOC(=O)[C@]12CCCN(C(=O)c3cccn3C)C[C@H]1CN(C(C)C)C2 96055913 ZYWUWTYZVYMNEH-JXFKEZNVSA-N 361.486 2.151 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@]3(C[C@@H](Nc4ccccn4)CO3)C2)cn1 96222952 USKMZEFTNSHLLM-DNVCBOLYSA-N 353.426 2.056 0 40 FEAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 96066137 HJEUHCFOGXASRT-BMGDILEWSA-N 356.426 2.305 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cccc3ncccc23)n1 257320753 VYLQVQNGBTXHDH-QGZVFWFLSA-N 350.378 2.253 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 253615591 DLURSLIFJWEBIU-MRXNPFEDSA-N 356.397 2.460 0 40 FEAB Cc1cncc([C@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257277952 OADFVAPHXUOVLL-KRWDZBQOSA-N 353.470 2.408 0 40 FEAB O=C(OCc1ccccc1)N1CCN2C[C@@H](Cc3cccnc3)OC[C@H]2C1 257289332 PYEJQMHAFFKPHW-WOJBJXKFSA-N 367.449 2.346 0 40 FEAB CCCn1ccnc1CN1CCC[C@@H]1c1nc(C)ncc1CNC(C)=O 257255104 KGDHLYWJEOEDPL-QGZVFWFLSA-N 356.474 2.365 0 40 FEAB Cc1csc([C@H](C)CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)n1 273283891 LPWADOUZFVTUTO-PXAZEXFGSA-N 363.487 2.246 0 40 FEAB O=C(Cc1cscn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 665107199 XHCWTSVGCIPBNB-UHFFFAOYSA-N 365.480 2.499 0 40 FEAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1cccc(F)c1 585097075 HESHUTZCNRDBSB-INIZCTEOSA-N 356.401 2.059 0 40 FEAB C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 585104069 IJJQGTCMGCUXOO-OXQOHEQNSA-N 352.438 2.293 0 40 FEAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCCN(Cc3cnn(C(C)C)c3)C2)C1 585101317 XVHPIKVLUCYBEP-IBGZPJMESA-N 361.490 2.442 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 36837904 ZFIZRRCYTBIKFC-SJLPKXTDSA-N 368.437 2.345 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NC[C@@H]3COC4(CCCCCC4)O3)cc12 95991688 AVWUOQUXDHLRND-OAHLLOKOSA-N 358.442 2.472 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@](O)(C(=O)CO)CC[C@@]12O 3843919 NTTRGAIOMZIGLW-SZJWAJFPSA-N 364.482 2.006 0 40 FEAB Cc1cccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cnc(N(C)C)nc1)C2 12135233 MEDGYCJCUKUPNU-HTZLVSCSSA-N 367.497 2.366 0 40 FEAB O=C(CN1C(=O)N2CCCN=C2c2ccccc21)NCCc1ccccc1 12142794 YLCVMPNBLDLESE-UHFFFAOYSA-N 362.433 2.438 0 40 FEAB CC(=O)c1cnc2cc(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)nn2c1C 12203236 XISQOETWQYWZMP-ZDUSSCGKSA-N 371.485 2.481 0 40 FEAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1cc(C)on1 13040096 FWAHCBBGMQQOKU-UHFFFAOYSA-N 364.833 2.213 0 40 FEAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N(C)C 16163195 VMCVWAWCCSAMRK-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21)c1ccccc1 19459323 ZNXOLEXJDWDHGD-HHXXYDBFSA-N 366.465 2.287 0 40 FEAB CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C 19523985 QFMYVARFZYXRAY-PCCBWWKXSA-N 354.498 2.074 0 40 FEAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2nnc3n2CCNC3)C1 19711045 NNXJWRYXHXXSGR-INIZCTEOSA-N 371.460 2.249 0 40 FEAB COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)N2CCCCCC2)c1OC 4567564 ZWJPEMLXLNYGKJ-FPLPWBNLSA-N 369.439 2.366 0 40 FEAB O=C([C@H]1CCOC1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147560 SXVGNIOHZVMKME-SFHVURJKSA-N 367.449 2.185 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=S)NCCc1ccccc1)C2=O 6083598 HIKDCAAIROFEGU-UHFFFAOYSA-N 360.483 2.109 0 40 FEAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1F 12488184 AFSVJCKXBFJNSB-UHFFFAOYSA-N 362.426 2.386 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 1147444038 ANZRJSDCBBYBCU-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)n1C 32946955 PNLDMKHIIFIXGP-RYUDHWBXSA-N 350.444 2.159 0 40 FEAB COc1ncccc1C(=O)N1CCC(COc2cc3c(nn2)CCC3)CC1 1775995356 PNSYTOBZBGRBRK-UHFFFAOYSA-N 368.437 2.300 0 40 FEAB CCOC(=O)c1c(C)n(C)c2cc3c(cc12)OC(=O)[C@@]3(O)C(F)(F)F 2501609 FHEGBQGSMRWRCG-OAHLLOKOSA-N 357.284 2.332 0 40 FEAB O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccccc1 2966892 MIOPKVBLDRZSBE-OAHLLOKOSA-N 364.430 2.061 0 40 FEAB CCOC(=O)[C@](NC(=O)NCCc1ccccc1)(OCC)C(F)(F)F 5332854 QVABRCDLGSQIDV-HNNXBMFYSA-N 362.348 2.387 0 40 FEAB O=C(CCc1ccccc1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127833 ZUAFUWGZYSBKEJ-LJQANCHMSA-N 352.434 2.336 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1nccnc1-c1ccsc1 575620703 VKMLSEVWTJVUIZ-UHFFFAOYSA-N 350.425 2.288 0 40 FEAB COC(=O)c1ccc(NC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)cc1 14032193 WGFQGQKADDSNNT-ZDUSSCGKSA-N 359.407 2.014 0 40 FEAB O=S(=O)(Nc1cc(-n2cnnn2)ccc1F)c1ccc(F)c(Cl)c1 40146657 AMHVNHHCXJUZRF-UHFFFAOYSA-N 371.756 2.395 0 40 FEAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc(OC)c1OC 40156246 QHQFHXIRMBWQRG-LBPRGKRZSA-N 361.398 2.424 0 40 FEAB COc1ccc(-c2noc(CNc3ccccc3C(N)=O)n2)cc1OC 10939545 HZQVURKNINOBBZ-UHFFFAOYSA-N 354.366 2.465 0 40 FEAB Cc1c(F)c(N2CCN[C@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 587541 AIJTTZAVMXIJGM-SNVBAGLBSA-N 359.401 2.280 0 40 FEAB world COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)C)no2)c1 11253507 VGLLNPIHGUCVLX-UHFFFAOYSA-N 360.414 2.316 0 40 FEAB Cn1c(S)nc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2c1=O 102179527 HZBHXTHJHQGXQY-CQSZACIVSA-N 367.430 2.476 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1F 103061613 YDYGNDKJNOSRGZ-HONMWMINSA-N 350.365 2.317 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 102016659 YOMSUTUJJXGCQM-SDADXPQNSA-N 357.797 2.252 0 40 FEAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1cccc(Cl)c1 32911699 HQAXRHJQTDUYKY-NSHDSACASA-N 372.899 2.427 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2nc(-c3cccs3)no2)c2ccccc21 21930928 FOTXLPFAYGAEHR-UHFFFAOYSA-N 370.390 2.195 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 8754104 DRBINRWHZUGSHD-MAUKXSAKSA-N 370.449 2.472 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3snnc3C)cc2n1 100139078 IOPJEAFMQQYESI-LBPRGKRZSA-N 358.427 2.135 0 40 FEAB COc1ccc(-c2noc(C(=O)N3CCCC[C@H]3CCO)n2)cc1OC 12322241 HGDYESRICPNAMV-ZDUSSCGKSA-N 361.398 2.131 0 40 FEAB Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)c(Cl)c1 56058994 VHRMUOVWMKOCMR-UHFFFAOYSA-N 366.874 2.386 0 40 FEAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CC1 56307474 DINPAGKNPGJMIS-ZDUSSCGKSA-N 364.492 2.263 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 43826528 RBFUCQXBLCZVMM-QJPTWQEYSA-N 356.410 2.038 0 40 FEAB CCCCN(C)S(=O)(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 57009362 BAKQNTCUHXAHOP-UHFFFAOYSA-N 374.551 2.059 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccnc3)C2)s1 12545608 KPGPTRGAXYPAHL-CYBMUJFWSA-N 365.480 2.491 0 40 FEAB CCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)NC1CC1 58225810 WBWCPVVFWHYAMU-UHFFFAOYSA-N 372.238 2.398 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306131380 KCVNBVWHPJEUJS-MRXNPFEDSA-N 373.420 2.155 0 40 FEAB Cc1ccccc1NCCC(=O)NCc1ccc(NS(C)(=O)=O)cc1 58218206 YFMGCPWJJMNPKV-UHFFFAOYSA-N 361.467 2.485 0 40 FEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)N(C)C 10399860 AUGLYBRKXPMEQC-ZDUSSCGKSA-N 371.528 2.215 0 40 FEAB COC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 58400921 YWOOXKYAPQKYEX-CYBMUJFWSA-N 369.377 2.214 0 40 FEAB CCN(CC)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 2376660 IFQVRMQYZUOYFU-UHFFFAOYSA-N 358.464 2.097 0 40 FEAB CC(C)(C)c1ccc(OS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 12729958 XKRAHNMRHSVCSO-UHFFFAOYSA-N 369.464 2.399 0 40 FEAB CN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(Cl)cc1 12807896 FCBBXGXMLLODBK-CQSZACIVSA-N 373.840 2.448 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 12829670 NAKUDQYPFXYVET-AWEZNQCLSA-N 362.382 2.294 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccn2)c1 7950331 AEULKGBVWABANA-UHFFFAOYSA-N 354.815 2.342 0 40 FEAB CCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc1C 8035355 SWFWYXBZUHOAEN-UHFFFAOYSA-N 352.481 2.239 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)-c1ccccc1OC2 4495021 HPTZUNZGXATERZ-SECBINFHSA-N 360.391 2.308 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCC2 5308298 KSVBFVOQUDMVHG-UHFFFAOYSA-N 350.421 2.193 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 14196871 SWNHHGRZNSXQOF-KRWDZBQOSA-N 351.406 2.351 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 6784386 RAWCVJOJUPMFAT-CYBMUJFWSA-N 366.483 2.205 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4834981 AIMOBCRJRGDBLQ-HNNXBMFYSA-N 368.499 2.273 0 40 FEAB Cc1ccnc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c1 5923675 BRNUMWASAPZVRS-CQSZACIVSA-N 353.403 2.497 0 40 FEAB Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1 15357361 QOWZOSHABZSNHP-UHFFFAOYSA-N 366.512 2.481 0 40 FEAB O=C1C[C@@H](N2CCN(C3CCCCC3)CC2)C(=O)N1c1ccccc1F 19359569 LPXABNWELRMRIJ-GOSISDBHSA-N 359.445 2.408 0 40 FEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1(C(=O)O)CCCCC1 72277001 FEGZSSLCPCPEIB-QGZVFWFLSA-N 358.438 2.426 0 40 FEAB O=C(NCc1cccc(F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 84372504 YPTYHCISCAXYAV-CYBMUJFWSA-N 356.353 2.224 0 40 FEAB O=C1C[C@H](C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c2ccccc2N1 84578826 LIWGEHVGLJBOLL-DOTOQJQBSA-N 367.405 2.013 0 40 FEAB O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1c[nH]c2ccccc12 84587918 DUZDHGITBAWCSX-ROUUACIJSA-N 355.438 2.458 0 40 FEAB CNC(C)(C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 95446529 AAEKQVBIEVVTOG-UHFFFAOYSA-N 350.532 2.397 0 40 FEAB O=C(CN1CCOc2ccccc21)NCCN1CCCc2ccccc21 78564878 HOOMRTJBBGVUIU-UHFFFAOYSA-N 351.450 2.454 0 40 FEAB Cc1cc(N2CCC[C@H](Nc3ncnc4cccc(F)c34)C2=O)n(C)n1 78675174 ZKSUSNNZJNGFBG-AWEZNQCLSA-N 354.389 2.418 0 40 FEAB CCCN(CC)C(=O)c1ccc2ncc(N3CCN(C(C)=O)CC3)nc2c1 306138995 SMPPYMSEDRBTAB-UHFFFAOYSA-N 369.469 2.170 0 40 FEAB Cc1c(CC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cnn1C 551807028 FPASRTIAAGAAAC-AWEZNQCLSA-N 368.359 2.365 0 40 FEAB CCOC(=O)N1CCN(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 36385425 IAUXRDBVJXEOQJ-UHFFFAOYSA-N 374.441 2.347 0 40 FEAB O=C(c1cc([C@H]2CCCCN2C(=O)c2ccccc2)n[nH]1)N1CCOCC1 72380532 TXZVCOQNDADVFR-GOSISDBHSA-N 368.437 2.250 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2nc(Cl)c3ccccc3c2=O)cc1 49546607 WVXJTKKFGFYPFH-UHFFFAOYSA-N 371.780 2.475 0 40 FEAB CC(C)c1ccc(OCC(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)cc1 75163094 KCDJLTFJEMHFIX-UHFFFAOYSA-N 367.409 2.107 0 40 FEAB CCn1ccnc1CN(C(=O)CCOCC(F)F)[C@@H]1CC12CCNCC2 576584999 NRFPPJZNTACMFJ-CQSZACIVSA-N 370.444 2.046 0 40 FEAB CC(C)(C)n1cc([C@@H]2N(C(=O)c3cccnn3)CC23CCOCC3)cn1 529517338 MTEZPSCFAVGSSZ-INIZCTEOSA-N 355.442 2.422 0 40 FEAB CN(C)c1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C)c3C2)cc1 96084179 OHMDHOCKFUPUHY-UHFFFAOYSA-N 367.497 2.280 0 40 FEAB O=C(c1ccco1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 96206610 KWHBSWIOLWQVPF-HNNXBMFYSA-N 357.410 2.408 0 40 FEAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccc(F)c1 245070516 QNCXKAUBTDCHBS-HDJSIYSDSA-N 351.403 2.284 0 40 FEAB C[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257303523 SHOUXEGEYGXHQX-FQEVSTJZSA-N 354.406 2.128 0 40 FEAB COc1ncc(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)cn1 257316108 VEDTUGXVEPLSHR-HNNXBMFYSA-N 353.426 2.053 0 40 FEAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)c2ccn(C)n2)n1 257343951 ZVBUHBSJMFDFCX-MRXNPFEDSA-N 352.398 2.459 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 257202422 ALSISWIKCOSFMZ-GOSISDBHSA-N 354.454 2.369 0 40 FEAB CCc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257233232 GOIYJUNZSLWYCH-LJQANCHMSA-N 358.442 2.044 0 40 FEAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2ncn(C(C)(C)C)n2)cn1 623086780 KDSAJDPIMVXUFB-OCCSQVGLSA-N 360.418 2.088 0 40 FEAB O=C1N[C@@]2(CCCNC2)C(=O)N1CCOc1ccc(Cl)cc1Cl 646087956 VBPYGYVWCDMEOL-OAHLLOKOSA-N 358.225 2.046 0 40 FEAB COc1ccc2c(c1)OCCN(C(=O)c1ccc(OCC(=O)O)cc1)C2 659760134 JAYGZPBZTAMYAK-UHFFFAOYSA-N 357.362 2.193 0 40 FEAB CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccccc2Br)C1 659786740 ZXPKJLPOHLYVIB-BXUZGUMPSA-N 355.232 2.175 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)cc2NC1=O 665562477 PUZJHDKQCLMNTF-DEQVHRJGSA-N 357.410 2.039 0 40 FEAB COC(=O)c1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1 96098881 VZAFVXYPLSUJMA-UHFFFAOYSA-N 350.378 2.162 0 40 FEAB C[C@@]1(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)CC=CCC1 585105219 QQNOTUJUBOLPSJ-MAODMQOUSA-N 369.465 2.172 0 40 FEAB CCCCCOC(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1O 31555465 IAYZPWLLCBFJLH-UHFFFAOYSA-N 364.442 2.400 0 40 FEAB in-vitro O=C(NC(=O)c1cccc(Oc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 5901327 OILUIVMZSVZPPY-AWEZNQCLSA-N 374.418 2.105 0 40 FEAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)[C@H]2CCOC2)C1 12238862 YFRGDFXBFGDABL-SWLSCSKDSA-N 353.426 2.100 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(OC)c1 12978095 QCIWZDNWOIJJKB-KBXCAEBGSA-N 364.467 2.116 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15272580 PWMFQNGUVAZBFI-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 17302468 LMZJUKGGIMIBKX-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H](c1ccc(F)cc1)N1CCCN21 19169781 QUSWSRUHJWTJCL-SQNIBIBYSA-N 351.381 2.361 0 40 FEAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1ccn(C)n1)C2 19290982 DEKZTAURFSYGMP-LJQANCHMSA-N 355.438 2.422 0 40 FEAB Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1 1532377 VTLNPNNUIJHJQB-UHFFFAOYSA-N 359.474 2.174 0 40 FEAB investigational CCn1c(C)cc(O)c([C@H](c2ccccc2OC)N2CCN(C)CC2)c1=O 22696912 SCBSMYWHCDRROE-FQEVSTJZSA-N 371.481 2.228 0 40 FEAB O=C(Oc1ccc2ccccc2c1)C1=CN2CCS(=O)(=O)N=C2C=C1 21845462 IVJIAKPGJNCGFY-UHFFFAOYSA-N 354.387 2.243 0 40 FEAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCCc1cnoc1 238883320 PQCIFBNHUCVLCS-UHFFFAOYSA-N 353.378 2.197 0 40 FEAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccco1 2975362 DXWOKHLEZJZBPT-UHFFFAOYSA-N 373.390 2.087 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c(C)c1 4940771 NIERQOHEVZYDRP-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(C2CCCC2)C1=O)c1cccs1 9576105 JNTDKFCKORBTMN-CYBMUJFWSA-N 361.345 2.435 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccs1 10251844 CXENICCTBHRVCC-UHFFFAOYSA-N 355.354 2.167 0 40 FEAB C[C@H](NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1)c1ccccc1 12233576 VZQJQMKDXPUXGA-AWEZNQCLSA-N 361.405 2.281 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19133074 HTLAENYFZFEDTI-SFHVURJKSA-N 366.465 2.346 0 40 FEAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 2487829 BJLOPVKFECOISX-DCXXXQMHSA-N 355.434 2.354 0 40 FEAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc(Br)s1 75171904 NRQMWHHIDPQYAZ-MRVPVSSYSA-N 352.231 2.116 0 40 FEAB O=C(OC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 58858816 IOXNEYBINNFGMS-AWEZNQCLSA-N 355.346 2.412 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)NCC(=O)c4ccccc4)n(C)c3nc12 2430129 YSMTUBSLWFEQPC-UHFFFAOYSA-N 374.400 2.107 0 40 FEAB CC(=O)OC[C@@](C)(C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 2274392 PTPWFSVPFBGKGL-SFHVURJKSA-N 361.419 2.421 0 40 FEAB NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(=O)c1c[nH]c2ccccc12 2525848 DFBNEEDBMWALFX-INIZCTEOSA-N 351.362 2.131 0 40 FEAB in-vitro CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4553381 XGUCGICGJHWRSH-DACLVMHWSA-N 352.390 2.025 0 40 FEAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)CC(C)C)cc1 6238843 GTEHZKHNVFYNPW-UHFFFAOYSA-N 352.485 2.379 0 40 FEAB COc1ccc(-c2nc(COC(=O)[C@H]3CCC(=O)N3)cs2)cc1OC 11699251 PVXMPTVCLKFILI-GFCCVEGCSA-N 362.407 2.149 0 40 FEAB Cc1ccc(CN2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)cc1C 108526711 CFXLFPUKOHDZQA-PMACEKPBSA-N 366.465 2.209 0 40 FEAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 2653348 UZFHJMCHHWFCAT-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 46786172 MFRWAHJPTISRSH-KSSFIOAISA-N 356.451 2.324 0 40 FEAB CCCC(=O)OCC1=C(C(=O)OCC)[C@H](c2ccc(C)o2)NC(=O)N1 23014485 JUYUCGMEZMTWCL-HNNXBMFYSA-N 350.371 2.102 0 40 FEAB COc1cc2ncn([C@@H]3C(=O)Nc4ccc(C)cc43)c(=O)c2cc1OC 102329824 YUWSLKCBYOZVML-KRWDZBQOSA-N 351.362 2.264 0 40 FEAB CCN1CCN(C(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124317 ALKFUBDKEXSQQR-PXDUREFJSA-N 354.450 2.211 0 40 FEAB C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@@H](C)O1 25425608 HJFDSTNLZRCRPS-JTNHKYCSSA-N 367.243 2.190 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)NC1CC1 35308099 HCCBLPSUAUSOFV-UHFFFAOYSA-N 371.412 2.122 0 40 FEAB CC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)n(C)c1 57293979 SICJKDDIOUDYHD-NSHDSACASA-N 363.439 2.090 0 40 FEAB CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)c(F)c1 108456135 KFTUGUFTCUZYKN-BNBDDXAPSA-N 360.360 2.125 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1ccccc1 12599281 GUKJVLQQLMKSQQ-TZMCWYRMSA-N 360.435 2.287 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1C 58228859 YGQCVMYNNRDUPU-CQSZACIVSA-N 363.458 2.185 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 58203267 BMEPCEBPVKBFGC-CRAIPNDOSA-N 362.495 2.337 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)o1 58328706 LRMTXAZFWVRUOW-UHFFFAOYSA-N 366.414 2.308 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1nc2c3c4c(sc3ncn2n1)CCCC4 2226855 VZAAJOIFTDZBJT-JTQLQIEISA-N 357.439 2.127 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccc(F)c(F)c1 113964799 QZHJGERWJRKIDO-UHFFFAOYSA-N 372.393 2.420 0 40 FEAB CN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12634605 RSWWNQWAZRFEPI-UHFFFAOYSA-N 359.451 2.446 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1C 3370962 IBAVZOMHSVAXBC-INIZCTEOSA-N 357.362 2.400 0 40 FEAB Cc1nc(CS(=O)(=O)c2nc(C)c(C)n2C[C@@H]2CCCO2)cs1 48368112 AEODLAXJQIWJSV-AWEZNQCLSA-N 355.485 2.418 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 25167149 PVCVOUXFICUJAE-UHFFFAOYSA-N 370.405 2.363 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)C2CC2)CC1 27632430 VZDXOLLMBWMABY-UHFFFAOYSA-N 357.454 2.110 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@@H](CO)Cc1ccc(F)cc1 49351758 UPSLSENWHMFPMW-WMLDXEAASA-N 360.433 2.087 0 40 FEAB COc1ccc2nc(C)c(C(=O)NCCc3nnc4n3CCC4)cc2c1 69744119 JCCNBAPHFURVET-UHFFFAOYSA-N 351.410 2.062 0 40 FEAB CCC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 69882210 BDKVWFNHAFLKMP-RBUKOAKNSA-N 373.497 2.431 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 14014501 VEVITAKOGZJNKO-QGZVFWFLSA-N 358.463 2.316 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccs2)c1 4867870 BXMNYEDMYPRIFR-UHFFFAOYSA-N 369.493 2.125 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 4986223 WMQHHOMJQRJJDJ-OAHLLOKOSA-N 374.890 2.181 0 40 FEAB Cc1sc2ncn(CC(=O)NC(=O)Nc3ccccc3)c(=O)c2c1C 7121379 VEJXAGVUKXRTAY-UHFFFAOYSA-N 356.407 2.423 0 40 FEAB Cc1ccccc1N(CC(=O)N[C@@H]1CCOc2ccccc21)S(C)(=O)=O 7217608 LGQMQOSYXCOEIG-MRXNPFEDSA-N 374.462 2.401 0 40 FEAB CC[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1ccc(OC)cc1 70756392 BUOLJMXSQCDBOW-MRXNPFEDSA-N 356.426 2.362 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 15797373 VRQVNWDRKGLZGI-WMLDXEAASA-N 368.499 2.449 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cn3ccccc3n2)c1 68368591 WMMYJFOPWUHQHK-UHFFFAOYSA-N 367.361 2.089 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 7845711 FHSLIEPRMQOCRR-UHFFFAOYSA-N 372.421 2.344 0 40 FEAB Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 8059974 FAEGCWVVFSZPNE-UHFFFAOYSA-N 363.435 2.432 0 40 FEAB COc1cc2c(cc1NC(=O)Cn1ccc(=O)[nH]c1=O)oc1ccccc12 8272777 UBVKEYGLPPKCNG-UHFFFAOYSA-N 365.345 2.083 0 40 FEAB CCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 9340789 ORXHKQRTBABBGB-NSHDSACASA-N 369.468 2.355 0 40 FEAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Cl)sc1Cl 97013442 KFOWZQQGBJAAGQ-ZCFIWIBFSA-N 353.256 2.460 0 40 FEAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](N(C)Cc2ccccc2)C1 72308743 NPYRQPCFLVIMLZ-RDJZCZTQSA-N 360.502 2.206 0 40 FEAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 84507115 LSPBMWNYNXPCNK-VIFPVBQESA-N 353.318 2.071 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1 25768665 PUBVQIAWAJQHDW-UHFFFAOYSA-N 362.426 2.409 0 40 FEAB CCn1cc(C(=O)O[C@H]2C[C@H](OC(=O)c3cnn(CC)c3)C2(C)C)cn1 95997349 KGCLSKAQROWSSW-GJZGRUSLSA-N 360.414 2.300 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79488313 LNSNWATZZUTRGZ-CYBMUJFWSA-N 362.865 2.013 0 40 FEAB NC(=O)NCc1ccc(C(=O)OCc2cc(F)cc3c2OCOC3)cc1 24419010 JNIGWRBZTCZTMJ-UHFFFAOYSA-N 360.341 2.218 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnnc2-c2cccs2)c1C 28616907 VYSTWEKZIIQDKA-UHFFFAOYSA-N 359.411 2.406 0 40 FEAB CN(Cc1ccc(/C=C/C(=O)NCc2ccc(F)cc2)o1)S(C)(=O)=O 20030400 OORDIXUGUBTPAG-MDZDMXLPSA-N 366.414 2.140 0 40 FEAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 408550903 GEFQRQREVNBWOM-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB O=C(NCc1ccccn1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36357369 ZSPRLMWRKKOUDL-UHFFFAOYSA-N 360.373 2.363 0 40 FEAB COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2 30726897 QDNMFIYGVRUVCE-LEWJYISDSA-N 369.417 2.405 0 40 FEAB biogenic,in-vitro Cc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 72393267 WFBLMASWXYSLKC-MRXNPFEDSA-N 362.437 2.310 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCC[C@H](CO)C2)C1 72395273 YMXXAECNNWJCNA-DLBZAZTESA-N 370.497 2.493 0 40 FEAB COc1cccc(-n2cc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@@H](C)C3)nn2)c1 565757189 UDTMEGOVDTYJKC-SPYBWZPUSA-N 369.469 2.078 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)C1 40104242 UZZKROYDWZTZFE-RYUDHWBXSA-N 361.398 2.213 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 222573209 IWBYYTRFYMBWRT-UHFFFAOYSA-N 373.843 2.474 0 40 FEAB CCOc1ccccc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225163708 LRENLKDYELTUSR-MRXNPFEDSA-N 363.435 2.402 0 40 FEAB CN1CCN(CCCCNC(=O)c2ccccc2Br)CC1 41362625 MZJODKFQOFSPAQ-UHFFFAOYSA-N 354.292 2.207 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@H](OCc2ccccc2)C1 85436038 DFAYRZQAYJKUIA-QGZVFWFLSA-N 365.426 2.432 0 40 FEAB biogenic,in-vitro N[C@H](CCC[C@@](N)(C(=O)O)C(=O)c1ccccc1)C(=O)c1ccccc1 85479278 KCERZKANANQKNA-UZLBHIALSA-N 354.406 2.032 0 40 FEAB CCN1C(=O)C[C@H](c2cccnc2)C12CCN(c1ncc(F)cn1)CC2 96199749 VXROTGVNFFRHKU-MRXNPFEDSA-N 355.417 2.386 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3cccnc3)CC2)cn1 96218022 VZTSCJAGKMPQRA-HXUWFJFHSA-N 353.470 2.362 0 40 FEAB CC(C)OCCCNC(=O)C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1 95475439 PLBYUIFUBMWECX-HNNXBMFYSA-N 365.865 2.432 0 40 FEAB CN1CCN(CC(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccco2)CC1 95115975 HHSZQZRVHJEVKQ-MRXNPFEDSA-N 358.467 2.266 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1F 95470729 MLDVIVFXJNWUHD-UHFFFAOYSA-N 369.399 2.424 0 40 FEAB COCCN1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 96260545 XERXAEDPPAXKQL-UHFFFAOYSA-N 374.529 2.433 0 40 FEAB CN1CCN(CC(=O)N2N=C(c3ccsc3)C[C@H]2c2ccco2)CC1 95115974 HHSZQZRVHJEVKQ-INIZCTEOSA-N 358.467 2.266 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1 96063644 CZUHIBRTLXVWOJ-KDURUIRLSA-N 351.450 2.223 0 40 FEAB O=C(N1CCCC1)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239024 RFOFBNMPPSTTMJ-LJQANCHMSA-N 357.410 2.060 0 40 FEAB NC[C@]1(N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547843 KVNGUSYHLWIQQR-OAGGEKHMSA-N 354.834 2.075 0 40 FEAB Cc1nc(CN2Cc3cncn3[C@@H](C(=O)NCc3ccco3)C2)cs1 247969623 RVMKQDDBJMZHRB-MRXNPFEDSA-N 357.439 2.114 0 40 FEAB Cc1csc(Nc2cccc(CC3CCN(C(CO)CO)CC3)n2)n1 257285470 PHEUQFGJTIRKHH-UHFFFAOYSA-N 362.499 2.198 0 40 FEAB CC(=O)N1CCN(c2nnc([C@@H]3CCCO3)n2Cc2ccc(C)cc2)CC1 585122765 YSRMPSAIMAFIMW-SFHVURJKSA-N 369.469 2.155 0 40 FEAB Cc1cc([C@H]2Cc3ccccc3C(=O)O2)ccc1OCC(=O)NCC(=O)O 256028162 XEAWSFFZGHKIKE-QGZVFWFLSA-N 369.373 2.029 0 40 FEAB C[C@H](N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)c1cncc(F)c1 1775959210 LWOAOUDAHNHKKQ-BJOOFOGMSA-N 357.433 2.500 0 40 FEAB CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccoc2Br)C1 1775959603 JREROFUQSYSXLF-UHTWSYAYSA-N 357.248 2.414 0 40 FEAB O[C@H](CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1)COC1CCOCC1 629606556 IRGPUFQLZZBBLG-HUUCEWRRSA-N 372.868 2.204 0 40 FEAB CC[C@@H]1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)NC1=O 1615589282 KGQVXYSXLDADAC-HNNXBMFYSA-N 369.425 2.121 0 40 FEAB COCCOc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nccs2)C3)cc1 1615611351 KNTZEGBVJICVHV-YXJHDRRASA-N 373.478 2.171 0 40 FEAB COC[C@]1(C(N)=O)CCCN1C(=O)CC1CCC(C(F)(F)F)CC1 643939532 LTLSAMYHYZSIIV-QOZQQMKHSA-N 350.381 2.238 0 40 FEAB CC[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)CCO1 665171453 XTQFGGMUBUEMBV-BVIKNXMNSA-N 362.474 2.380 0 40 FEAB COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 668246900 QLZMJNSMLMXIDF-NWDGAFQWSA-N 359.410 2.032 0 40 FEAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC(=O)N3)CC2(CCOCC2)O1 684156324 GQFLVDULPZEFCO-AWEZNQCLSA-N 358.438 2.372 0 40 FEAB CC(C)Oc1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 298129846 XVTRGRQHDUDISX-UHFFFAOYSA-N 370.405 2.135 0 40 FEAB CCO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 390823189 VQCWRPMIHXJERW-YHXSNJQLSA-N 371.477 2.361 0 40 FEAB O=S1(=O)CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 575421168 HBCFVBOQYNBUMI-HNNXBMFYSA-N 369.439 2.208 0 40 FEAB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2nnnn2C2CC2)o1 65512337 GEKOUVOERUKMPR-OAHLLOKOSA-N 351.414 2.253 0 40 FEAB CC[C@@](CNS(=O)(=O)c1c(C)nn(C)c1C)(OC)c1ccccc1 96123788 DVSIDQXEKMSSEC-KRWDZBQOSA-N 351.472 2.267 0 40 FEAB CCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1Br 5980475 DGRKPFUKHBDGOD-UHFFFAOYSA-N 373.272 2.195 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)c1 12133540 ZEVFNJRIEOUPKC-UHFFFAOYSA-N 366.425 2.329 0 40 FEAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12949370 LXPOHHHANOGKSG-UHFFFAOYSA-N 369.377 2.115 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccccc1 13688740 VXHBHHJLJWDSDU-CALCHBBNSA-N 372.490 2.377 0 40 FEAB O=c1cc(CSc2nnnn2Cc2ccccc2)nc2sccn12 14168778 CFFMHQJLQSLGLG-UHFFFAOYSA-N 356.436 2.083 0 40 FEAB O=C(CCNC(=O)c1ccco1)Nc1ccc(S(=O)(=O)C(F)F)cc1 15998686 PSRCGKMQQNQLLD-UHFFFAOYSA-N 372.349 2.035 0 40 FEAB Cc1ccnn1CCC(=O)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19238478 CSAPNGXLMDTLMA-CYBMUJFWSA-N 373.438 2.293 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19289129 FSTJUFUSQJPXDB-GFCCVEGCSA-N 369.450 2.252 0 40 FEAB CCn1nc(C)c(CN2CCc3nc4sccc4c(=O)n3CC2)c1C 19523841 WDLKYPFNPZKVOM-UHFFFAOYSA-N 357.483 2.350 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2cc(-c3ccccc3F)ncn2n1 19574492 BTCGRJUSYGGPNP-NHYWBVRUSA-N 355.373 2.287 0 40 FEAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1 19594414 WYAMCGHHVLFVMK-KRWDZBQOSA-N 367.449 2.356 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn2cc(Cl)ccc2n1 19660776 HUSYEEZULYYGPZ-HNNXBMFYSA-N 354.797 2.040 0 40 FEAB Cc1nc(-c2cncnc2[C@H]2CN(Cc3cnc(C)s3)CCO2)no1 19693763 OIBWSVARBYWNRM-CQSZACIVSA-N 358.427 2.173 0 40 FEAB COC(=O)c1c(C)nc2ccn(-c3nc[nH]n3)c(=O)c2c1-c1ccccc1 19962856 FUPGJYNDXVDIGJ-UHFFFAOYSA-N 361.361 2.266 0 40 FEAB Cc1c(-n2ccn3c(O)nnc3c2=O)ccc(Br)c1Cl 1888941639 PEKUZNZMPYZTOJ-UHFFFAOYSA-N 355.579 2.310 0 40 FEAB CN1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 38572974 FHCHMFCZOLTYIA-UHFFFAOYSA-N 352.378 2.205 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1614933612 YERKQBOOCKEXQV-CQSZACIVSA-N 366.412 2.474 0 40 FEAB COc1ccc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)c(OC)c1 1565555423 HXLJJPCCLVEAQJ-UHFFFAOYSA-N 368.437 2.116 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565550358 AHWXLPRSSMKIMQ-UHFFFAOYSA-N 352.438 2.388 0 40 FEAB O=C1CO[C@H](c2ccccc2)O[C@H]1[C@@H]1O[C@@H](c2ccccc2)OCC1=O 1570007658 SYTZTCVUPWSNLO-ZRNYENFQSA-N 354.358 2.353 0 40 FEAB COc1cc(C(=O)n2nc(N)c3c(C)cc(C)nc32)cc(OC)c1OC 1428735 YJFQYBYHLJHANF-UHFFFAOYSA-N 356.382 2.345 0 40 FEAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCc1ccco1 4354172 PHEPIHJIFUYCRM-UHFFFAOYSA-N 372.406 2.001 0 40 FEAB Cc1cc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)c(C)o1 2055782260 WYZFDGACOXBCSN-UHFFFAOYSA-N 370.453 2.251 0 40 FEAB O=S(=O)(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1ccccc1 2055738633 FPYWALLZQBTSON-AWEZNQCLSA-N 361.467 2.106 0 40 FEAB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 1889659254 YVUQFILQYUTSKB-UHFFFAOYSA-N 365.430 2.404 0 40 FEAB CC(C)c1nc(S(=O)(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)cn1C 225602980 WKVIQGARICELSI-CYBMUJFWSA-N 363.483 2.388 0 40 FEAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCN(C)C)c12 36618455 POGUVGABJXLJKZ-UHFFFAOYSA-N 368.393 2.218 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 4196716 PPZYWGRLAWHOLR-MELADBBJSA-N 355.360 2.433 0 40 FEAB CCNc1nc(NCC)n2nc(SCC(=O)c3ccccc3)nc2n1 4528760 LVCPNLNZUVCKJE-UHFFFAOYSA-N 357.443 2.358 0 40 FEAB CC(C)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)NC(N)=O 4778985 VRFKWRRHOFHDGE-OQHXTRMZSA-N 358.316 2.481 0 40 FEAB O=C1O[C@H](c2c(O)[nH]c(=O)n(-c3ccccc3Cl)c2=O)c2ccccc21 101376238 YQYBXCYUMXUXFO-AWEZNQCLSA-N 370.748 2.145 0 40 FEAB CCOC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c1 32776933 QZGVTQRNOQECSD-SECBINFHSA-N 362.304 2.479 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccccc1O 32719878 RCGVKEQMRGTKRM-MRXNPFEDSA-N 366.414 2.473 0 40 FEAB CCCNC(=O)CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 60676012 XSHSQJPCJJJFMO-UHFFFAOYSA-N 370.497 2.161 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108533101 BRNVBLFXQPKOLV-ROUUACIJSA-N 357.479 2.188 0 40 FEAB O=C(c1cc(Br)c[nH]1)N1CCN(c2ccccc2O)CC1 26527979 GXXMAZIAPIKMFS-UHFFFAOYSA-N 350.216 2.445 0 40 FEAB COc1ccc(Cl)cc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1C 12274274 IAGSDCPPSUMRLY-LBPRGKRZSA-N 350.806 2.147 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12 2929011 AIPAFWCZGALHPU-HNNXBMFYSA-N 356.403 2.209 0 40 FEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1ccccc1Br 37591605 IUEINUJSPYIJCF-SECBINFHSA-N 350.234 2.323 0 40 FEAB in-vitro CC(C)(C)OC(=O)N1CCN(Cn2nc(-c3cccs3)oc2=O)CC1 24528930 FQCQIXFGWOIVAJ-UHFFFAOYSA-N 366.443 2.075 0 40 FEAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3nncn3C3CC3)cc2)n1 106413044 QKXMUUWMVILXFN-UHFFFAOYSA-N 350.426 2.405 0 40 FEAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)Cc1ccccc1 25057680 JCNFZRYVFMIVRV-RDTXWAMCSA-N 367.401 2.358 0 40 FEAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2F)CC1 57406183 FYGCZGVJWSVMBS-SNVBAGLBSA-N 359.348 2.205 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(c2nccs2)CC1 10270332 CREQJKVGZULKEY-UHFFFAOYSA-N 370.478 2.161 0 40 FEAB O=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)NCC(=O)N1CCCC1 58209170 VVKTVLPQXZXHST-LJQANCHMSA-N 355.482 2.267 0 40 FEAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)OCc1ccccc1 58598022 OQRBLAXHDFXVDW-IBGZPJMESA-N 364.401 2.206 0 40 FEAB CCCS(=O)(=O)Nc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1 12824622 JNQPLCFIPRSSPI-UHFFFAOYSA-N 367.515 2.441 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 12817131 IORBWRBRGGQMHQ-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 3437717 TUEIQQWTXDPYTH-UHFFFAOYSA-N 354.453 2.060 0 40 FEAB COC(=O)c1ccc(CNC(=O)CCNC(=O)c2cccc(C)c2)cc1 12929128 BISPGNPINZWUSU-UHFFFAOYSA-N 354.406 2.218 0 40 FEAB COc1ccc(CN(C)C(=O)CCN2C(=O)COc3ccccc32)cc1 23603566 AMADXDVEDWPMMH-UHFFFAOYSA-N 354.406 2.469 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NCc1ccncc1 13688079 USVBXJRFZXNOKM-UHFFFAOYSA-N 363.421 2.198 0 40 FEAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5090705 FTDDMYORFGHLSS-LLVKDONJSA-N 351.362 2.451 0 40 FEAB COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714375 BHEOFSBILZNTLU-UHFFFAOYSA-N 354.406 2.349 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)n1nnc2ccccc2c1=O 5241346 SMFKXPNEGIVTOY-INIZCTEOSA-N 368.393 2.399 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1OC 6506241 KLWMAHOBHKXMAY-UHFFFAOYSA-N 355.350 2.376 0 40 FEAB O=C([C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1)N1CCOCC1 16964286 KEFLNMQUNRHOMK-GOSISDBHSA-N 370.380 2.092 0 40 FEAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccs1 17333534 QBTCJKVSGBVRRD-UHFFFAOYSA-N 352.481 2.059 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C(N)=O)c1 9602956 KQKIXCNTFONNMK-MRXNPFEDSA-N 357.385 2.318 0 40 FEAB CCOc1ccc(-c2nc(CC(=O)NCc3noc(O)n3)cs2)cc1 89991209 CBPVLEKMBXZQKU-UHFFFAOYSA-N 360.395 2.156 0 40 FEAB Cc1ccc(CN2CC3(CCNCC3)Oc3ncccc3S2(=O)=O)cc1 306133689 MSWBTKUQSKTZQJ-UHFFFAOYSA-N 373.478 2.096 0 40 FEAB CN(Cc1ccccn1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005306 CIIAMGAXYQWTTD-KRWDZBQOSA-N 365.499 2.024 0 40 FEAB COCc1nnc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)s1 96118183 RRTNWUNOKINFRC-UHFFFAOYSA-N 357.395 2.262 0 40 FEAB CCc1ccccc1NC1=NN/C(=c2\ccc3c(c2)OC(=O)N=3)CS1 96924925 OKLVQXRPWUFUFM-NTCAYCPXSA-N 352.419 2.209 0 40 FEAB CC(=O)NC[C@H]1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65499570 MCMCOYNNFSJLCD-QGZVFWFLSA-N 369.469 2.021 0 40 FEAB O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 97123971 BKWIKBCCZMPVRA-QGZVFWFLSA-N 374.487 2.340 0 40 FEAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1=O 78870221 XBFAKQQJPJMLER-ZACQAIPSSA-N 373.497 2.298 0 40 FEAB Cc1cc(C)c2[nH]c(=O)c(C3N4CC5(C)CN3CC(C)(C4)C5=O)cc2c1 79192257 HVKGMCIIIIUWJJ-UHFFFAOYSA-N 351.450 2.370 0 40 FEAB biogenic O=C1C[C@H](C(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccc(F)cc2N1 79110121 HQFGHRHOZFLFHT-RDJZCZTQSA-N 369.396 2.464 0 40 FEAB Cc1nn(CC(=O)N(C)C)c(C)c1NC(=O)CCc1nc2ccccc2[nH]1 79477035 ZNUSXQWNHYDDOI-UHFFFAOYSA-N 368.441 2.036 0 40 FEAB Cc1nnc(NC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)s1 36357684 KPAQODHKLVAFKC-UHFFFAOYSA-N 364.390 2.193 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC(C)C)cc1 39986139 LGMVXNSQUPMXQO-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCCCN4)n3CC2)cc1C 72372840 SKDXWQURXBPUMX-SFHVURJKSA-N 367.497 2.337 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)C(=O)O)cc1 218524202 HMHPTOJAENQHEU-LMMKCTJWSA-N 359.447 2.273 0 40 FEAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1 30756592 JLJFPWHULBQDNJ-OAHLLOKOSA-N 353.488 2.069 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 70040783 DZNURKBEDVNUNB-LIRRHRJNSA-N 358.438 2.282 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223418383 WLXVZLZKYYVEFF-LSDHHAIUSA-N 368.380 2.074 0 40 FEAB COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 44586196 RHCWOXUZYGVEPI-HNNXBMFYSA-N 373.236 2.041 0 40 FEAB O=S1(=O)C[C@H](CNc2nccc(C(F)(F)F)n2)Oc2ccccc21 572516004 BJLWGOQIJQSQMP-VIFPVBQESA-N 359.329 2.142 0 40 FEAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 80329936 OHVZWRXTWHYQKQ-YVEFUNNKSA-N 361.833 2.083 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)[C@H]4CCOC4)CC3)C2)cc1 96158893 HBBHILJXEGDWJT-IBGZPJMESA-N 358.482 2.225 0 40 FEAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)o1 96039762 VFEKKIMUKKVBCV-IEBWSBKVSA-N 350.459 2.064 0 40 FEAB c1csc(CN2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)n1 96062424 UMYWWYKIOJTAKX-MRXNPFEDSA-N 350.513 2.324 0 40 FEAB C[C@H](NC(=O)COc1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1 96118773 VNPQYMNGWOZSCS-ZDUSSCGKSA-N 362.393 2.400 0 40 FEAB c1ccc(CN2CCOC[C@@H]2c2nccc(NC3CCOCC3)n2)nc1 96218760 CCMABEMQURFBDR-QGZVFWFLSA-N 355.442 2.036 0 40 FEAB CC1=NN(c2ccc(C(=O)N[C@@]3(CO)COc4ccccc4C3)cc2)CC1 529820913 GURAYBJGZDDGRE-NRFANRHFSA-N 365.433 2.369 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](OCc3cccnc3)C2)cn1 248122218 VQBQUGKXNNVIGZ-IBGZPJMESA-N 363.421 2.223 0 40 FEAB CCCCc1nc(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)c[nH]1 257286246 PKWPPHYWVGYWLS-IAGOWNOFSA-N 359.426 2.075 0 40 FEAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc2cc[nH]c(=O)c2s1 648885809 QPMUEVHEDUUFRZ-NSHDSACASA-N 358.423 2.469 0 40 FEAB CCN1CCO[C@@H](CNC(=O)N[C@H](C)c2ccn(C)n2)[C@@H]1c1ccccc1 661315843 SJFNTCJUWZXAAL-MNEFBYGVSA-N 371.485 2.242 0 40 FEAB CC1(C)C[C@]1(C(=O)O)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 663108193 OYAXUFHSTJQCIN-HXUWFJFHSA-N 367.405 2.451 0 40 FEAB CNC(=O)C[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1 585099075 IFFHDDHRCAXKPY-INIZCTEOSA-N 357.454 2.273 0 40 FEAB Cc1nccn1C[C@H]1CCCN1C(=O)c1cnc(C2CCN(C)CC2)[nH]1 685941696 GCFDVQUDFOPZNB-MRXNPFEDSA-N 356.474 2.029 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)Cn1nnc(COc2ccccc2)n1 52166103 BAUWNXUFQNZPBW-UHFFFAOYSA-N 369.400 2.440 0 40 FEAB C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccc2c(c1)CCC(=O)N2 56086708 AKZIIBXXYGVLFF-ZDUSSCGKSA-N 351.472 2.343 0 40 FEAB COc1ccc(CC(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)cc1 85468242 VJEPSRVILGCWHH-KRWDZBQOSA-N 359.514 2.112 0 40 FEAB CCc1nc(N)nc(S[C@H](C(N)=O)c2cccc(Br)c2)n1 502133125 HOGQVQRNMMVLEX-JTQLQIEISA-N 368.260 2.097 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(F)F)cc1 5842501 RTWZEPZPCOVWPP-ZDUSSCGKSA-N 372.393 2.270 0 40 FEAB O=C(c1ccncc1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156069 IJPGSCGSVAHGMC-UHFFFAOYSA-N 352.373 2.352 0 40 FEAB COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)nn1 12444089 KMBHHIUCKSSECR-UHFFFAOYSA-N 362.817 2.110 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2C)Oc2ccccc21 13681885 QAKMONXQVASOCG-SFHVURJKSA-N 374.462 2.229 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccnc2ncnn12 19368150 ZORYVOGXTMTUSN-GFCCVEGCSA-N 363.830 2.304 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)Cn1ncn2c(cc3ccsc32)c1=O 19455831 MGEFPTYWUBPFCP-LBPRGKRZSA-N 370.434 2.441 0 40 FEAB CCc1cc(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)on1 19522830 GFHWPWNHNSYKLO-NSHDSACASA-N 363.439 2.013 0 40 FEAB Cc1noc(C)c1CCN1CCC(NS(=O)(=O)c2cccs2)CC1 164624984 JZIKLNNMMNACBC-UHFFFAOYSA-N 369.512 2.338 0 40 FEAB N=c1cc/c(=N\c2ccc(OCc3ccccc3)cc2)c2c(=O)ccc(=O)c1=2 4399114 QSKFNTNVMWKFCW-IHKDKFJPSA-N 368.392 2.298 0 40 FEAB O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CN1CCCCCC1=O 621581015 GGVPVGHHSZWPCG-CVEARBPZSA-N 350.459 2.271 0 40 FEAB O=C(NC1CCCCCC1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234273 GEWLVMXCNRJOFD-UHFFFAOYSA-N 371.416 2.382 0 40 FEAB O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 31611928 VAOPQURYAHCOIS-LLVKDONJSA-N 366.266 2.456 0 40 FEAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)N1CCCCCC1 2037915981 FOXOYUVYGGCXGB-HXUWFJFHSA-N 364.461 2.434 0 40 FEAB CC1CCC(C(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)CC1 1565549313 UWPSLTFPOJSKAK-CBJHCWRLSA-N 361.486 2.344 0 40 FEAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1 9844323 POCAVWRYPSPEOA-UHFFFAOYSA-N 353.378 2.332 0 40 FEAB O=C(Nc1cccc(F)c1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 12342436 KWZWQYAVBPEMOS-UHFFFAOYSA-N 353.353 2.238 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)c2ccc3ncsc3c2)cn1 575620218 RCXBKFLNLRGCIE-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB COC[C@](O)(CNC(=O)c1cncc(Br)c1)c1ccccc1 575609598 NJULVSQTXARZJC-MRXNPFEDSA-N 365.227 2.108 0 40 FEAB O=C(NCCc1cccs1)c1nc(N2CCOCC2)ncc1Cl 55557042 OXVPACOFVLSMSH-UHFFFAOYSA-N 352.847 2.001 0 40 FEAB O=C(NCCn1ccnc1)Nc1ccc(I)cc1 40096928 BWIUIELASCHSNK-UHFFFAOYSA-N 356.167 2.309 0 40 FEAB CC[C@H](CNC(=O)Cn1nnc2ccccc21)N1CCc2ccccc2C1 40074402 LDZDCRBDUYRTJN-GOSISDBHSA-N 363.465 2.384 0 40 FEAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(CCc2ccccc2)CN3)cc1 20394287 DFFCBRNOFXJMRI-UHFFFAOYSA-N 362.433 2.262 0 40 FEAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCOCC3)n12 928524 XTPVUXXSUUDGIY-UHFFFAOYSA-N 372.450 2.150 0 40 FEAB O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCN2CCC[C@@H]2C1 2770806 CNTOBWGQXPVWRS-GFCCVEGCSA-N 361.396 2.465 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnnn2CC)cc1 4168772 CFVDNAYZPGZWRS-UHFFFAOYSA-N 363.443 2.381 0 40 FEAB CC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 11740041 FHBIVOAEIRNHKN-CQSZACIVSA-N 359.817 2.051 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccccc1 2664466 WUWRGPFXJHIFGW-SZNDQCEHSA-N 363.417 2.257 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 21576562 XXILAIYRPOVZTG-MRXNPFEDSA-N 359.422 2.338 0 40 FEAB O=C(c1ccccc1F)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108534984 HMKYVISTRPQQGW-OALUTQOASA-N 355.413 2.336 0 40 FEAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccn(-c2ccc(F)cc2)n1 33007226 XJDLTWDFGDLPGB-UHFFFAOYSA-N 352.369 2.383 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4)[C@H]3C2=O)c1 101887883 PAMGBPNCTKIXMJ-GPYXMWEOSA-N 368.433 2.131 0 40 FEAB CC(C)(C)c1n[nH]c2c(NC(=O)c3ccc(Cl)cc3)c(N)nn2c1=O 103206298 RQZYWALDBZAJGE-UHFFFAOYSA-N 360.805 2.203 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc(NCC3CCCCC3)nc2)CC1 23652576 HYHICIVAMXCQGA-UHFFFAOYSA-N 352.504 2.010 0 40 FEAB C[C@@H](C(=O)NCc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 24716342 BWMBTWWPGWJEGY-RWMBFGLXSA-N 369.446 2.252 0 40 FEAB NC(=O)COc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 12557090 WYLIBPGRLUFVOQ-UHFFFAOYSA-N 374.340 2.370 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)S(C)(=O)=O 55391964 PWMQPNLXRMGFQC-UHFFFAOYSA-N 359.451 2.211 0 40 FEAB C[C@H](Sc1nncn1C)C(=O)NCc1ccnc(OC2CCCC2)c1 55399480 SJVFMNLKUIFVIK-LBPRGKRZSA-N 361.471 2.329 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12540070 DOLXFTORUVYAGT-SFHVURJKSA-N 373.416 2.220 0 40 FEAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 3147169 ZSWHVEBVQDQPDL-UHFFFAOYSA-N 362.432 2.288 0 40 FEAB CN1CCN(Cc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)CC1 57053990 OECZJERHHRDGLQ-FQEVSTJZSA-N 367.449 2.213 0 40 FEAB O=C1c2cc(Br)ccc2S(=O)(=O)N1CCCOCC1CC1 44645249 SIAXHJQGYJYNLK-UHFFFAOYSA-N 374.256 2.410 0 40 FEAB O=C(CN(C1CC1)[C@H]1CCc2ccccc21)N1CCN(C(=O)C2CC2)CC1 58180034 BUICERQMGOPLGY-FQEVSTJZSA-N 367.493 2.219 0 40 FEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(CC(N)=O)cc1 58210924 BVLPJTDEEGVKOB-OAHLLOKOSA-N 361.442 2.443 0 40 FEAB COc1cc(CC(=O)NC[C@@H](C)N2CCC(C)CC2)cc(OC)c1OC 58223679 KKDNKWZRHJDCEA-OAHLLOKOSA-N 364.486 2.492 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(F)cc1F 3313664 QGXLILSFPPQJGP-LJQANCHMSA-N 371.343 2.297 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2nnsc2Cl)CC1 48374793 HVZMVFKMHSCYIJ-UHFFFAOYSA-N 354.838 2.218 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)N(C)Cc3cccc(F)c3)ccc21 7977011 QYULJLQDGWVMDB-UHFFFAOYSA-N 370.384 2.406 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)OC 8315330 NJJUOZMDQLAEEV-XHDPSFHLSA-N 359.426 2.042 0 40 FEAB CCCC1(CCC)NC(=O)N(CC(=O)NCc2ccccc2OC)C1=O 6552896 XYNGQEMMTRUQIT-UHFFFAOYSA-N 361.442 2.202 0 40 FEAB Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 91928907 LKGXPNYGWDECHT-ZWKOTPCHSA-N 358.442 2.296 0 40 FEAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(C)=O)c2ccccc21 4987807 HYOSRYBJOFYBCE-FQEVSTJZSA-N 355.390 2.288 0 40 FEAB COC(=O)c1ccc(Oc2nnnn2-c2ccccc2)c(C(=O)OC)c1 5938829 RSQIWISBLGLPJI-UHFFFAOYSA-N 354.322 2.028 0 40 FEAB Cc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 7048648 MJAIGYGSBUAEOY-UHFFFAOYSA-N 354.338 2.420 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 18023072 SEEMVEHDHMJKQR-SHYRYGCCSA-N 359.426 2.294 0 40 FEAB C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1Cl 7435431 LAMKRTOKSIGYPE-SNVBAGLBSA-N 358.269 2.368 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1cccc(OC)c1OC 71280976 AHJVKRJHYUCLPI-CYBMUJFWSA-N 373.409 2.246 0 40 FEAB C[C@H](NC(=O)N1CCC[C@H]1CN1CCCC1)C(=O)N1CCc2ccccc21 83927591 LBRPZIHSAFXTEH-WMZOPIPTSA-N 370.497 2.234 0 40 FEAB COc1cccc(C[C@@H](C)NC(=O)N2CCN(C3CCOCC3)CC2)c1 83226948 OTSKYFXPJSIZKW-MRXNPFEDSA-N 361.486 2.132 0 40 FEAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Cl)cc1Cl 9366665 TVEPQPPBCSUQBB-RXMQYKEDSA-N 359.242 2.462 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(F)c2)cc1 20245669 BLHKVFAXYJWFLB-UHFFFAOYSA-N 351.403 2.321 0 40 FEAB Cc1cc(=O)[nH]cc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79104578 ZYFLOXHOJHNVAO-INIZCTEOSA-N 369.465 2.313 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@H](O)CC(C)C)cc2)c1C 84800511 JBCUDOQCIKBTGP-QGZVFWFLSA-N 373.453 2.494 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1Cl 408593647 MYOAFMLMSSBAJK-NSHDSACASA-N 362.879 2.178 0 40 FEAB CCOC(=O)c1cn(-c2cc(OC)ccc2OC)c(C(=O)OCC)c1N 65336684 KLMXRXYRPRQKSA-UHFFFAOYSA-N 362.382 2.430 0 40 FEAB O=C1NCCCN(C(=O)Cc2ccc(F)cc2F)[C@@H]1Cc1ccccc1 504698003 LQGJNDZTUKUXDP-GOSISDBHSA-N 358.388 2.467 0 40 FEAB Cc1ccc(Nc2nccc([C@H]3CCCN(CC(=O)N(C)C)C3)n2)nc1 72377911 ZTZNQVZFDLQOQH-HNNXBMFYSA-N 354.458 2.191 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2)cc1F 70639714 NRXPCFQWCWMTTC-QGZVFWFLSA-N 353.415 2.410 0 40 FEAB CN(CC(=O)N1CCN(c2ccccn2)CC1)c1nc2ccccc2s1 70640842 BOEUPKJMQRZBHL-UHFFFAOYSA-N 367.478 2.476 0 40 FEAB CNC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C 34791393 XBAWROLUMRDLTL-UHFFFAOYSA-N 359.377 2.284 0 40 FEAB NCC1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 218389168 QIZZQDQJMCKMSM-HZPDHXFCSA-N 350.871 2.184 0 40 FEAB CCCCN(C)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329649 OTXMQTNHHPPRKG-UHFFFAOYSA-N 369.425 2.322 0 40 FEAB CCN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc(C)cc1 226048046 OYHAXBGUHVERGA-UHFFFAOYSA-N 374.462 2.431 0 40 FEAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 222986097 VWGLKFFSGGINRH-MAUKXSAKSA-N 362.470 2.364 0 40 FEAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 225516522 NTHNYLNOSBKCHF-OAHLLOKOSA-N 354.454 2.180 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 96112749 TXKQZROOXHXNRV-HNNXBMFYSA-N 352.394 2.079 0 40 FEAB biogenic,in-vitro O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)C3CCCC3)C2)C1 96225128 RCDLRTYKBABYGD-HXUWFJFHSA-N 370.453 2.026 0 40 FEAB COCCN1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96261997 WMIBIRFOEQHLAS-SFHVURJKSA-N 352.500 2.284 0 40 FEAB Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CO3)o1 96159103 TZOXBOKEGDWXBR-UHFFFAOYSA-N 355.438 2.377 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(Cc4ccoc4)CC[C@H]3C2=O)n1 96107172 NKZHPISRDDHJLH-MOPGFXCFSA-N 355.438 2.233 0 40 FEAB CC(C)(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 604382041 AIGZESIAVXHCJQ-NCXUSEDFSA-N 370.497 2.075 0 40 FEAB biogenic,in-vitro CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)CC1 257295767 QZTCWOCAWLBLFN-ZVZYQTTQSA-N 358.486 2.381 0 40 FEAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)c3nccn3C)CC2)C1 257299030 ROKDMWNFEBBSKQ-QGZVFWFLSA-N 372.444 2.459 0 40 FEAB O=C1NC(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2C(=O)O)S1 256027940 KRGSLOJNFVVBLC-WJQTUHTMSA-N 371.418 2.253 0 40 FEAB CCN(C[C@@H]1CCCN1CC)C(=O)C1CCN(C(=O)c2ccoc2)CC1 585083121 LJSXRWBWRUAVFN-SFHVURJKSA-N 361.486 2.465 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 257228162 FSORXABLTQBGRI-SFHVURJKSA-N 355.438 2.075 0 40 FEAB CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CC[C@@H](O)[C@@H]1O 257255661 KIJMKSLQSOTGFS-QWFCFKBJSA-N 360.429 2.002 0 40 FEAB O=C1C[C@@H](c2ccccc2Cl)c2c(O)nc(N3CCOCC3)nc2N1 585655807 RDYIDNVXYJKRKO-NSHDSACASA-N 360.801 2.146 0 40 FEAB O=C1NC[C@H](C(=O)NC[C@@H]2CSc3ccccc3O2)c2ccccc21 627907239 RSLYUFUZVOSAFJ-DOMZBBRYSA-N 354.431 2.183 0 40 FEAB Cc1cc(NC(=O)Cn2cc(-c3cncnc3)cn2)n(-c2ccccc2)n1 48488663 KIFTZKXTWBHBGP-UHFFFAOYSA-N 359.393 2.473 0 40 FEAB CCc1cc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)n(C)n1 635568280 YKAZSYAMSIQTAK-MRXNPFEDSA-N 355.398 2.202 0 40 FEAB Cc1ccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c(C)c1 670416164 UOUMGEFLRPYTMM-CQSZACIVSA-N 354.410 2.110 0 40 FEAB NC(=O)c1cnn2c1C[C@H](CNC(=O)c1ccc(C(F)(F)F)s1)CC2 671825272 MULIHCQAFAEOEI-MRVPVSSYSA-N 372.372 2.055 0 40 FEAB CCc1nccn1[C@H](C)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)C[C@@H]21 1775986897 QILKGFGTCWHBTQ-IFBNNOTLSA-N 370.497 2.016 0 40 FEAB CO[C@@](C)(CNC(=O)C(=O)NCc1cccs1)c1ccccc1F 96123630 FUZLRTDPJAJKLQ-KRWDZBQOSA-N 350.415 2.181 0 40 FEAB Cc1nnsc1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121483 VKFUUBJWBJDCHG-UHFFFAOYSA-N 368.466 2.414 0 40 FEAB COc1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc(OC)n1 575604377 YOCJPACPHWDUML-UHFFFAOYSA-N 366.805 2.016 0 40 FEAB O=S(=O)(NCC[C@H]1CN(C2CCCC2)Cc2cccn2C1)C1CC1 585095512 UUNICPIICQGUEV-OAHLLOKOSA-N 351.516 2.334 0 40 FEAB COc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)cc1 585110756 AHOPUTOGYIVELI-GOSISDBHSA-N 368.481 2.444 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Cc1cccc(F)c1 585276222 LFBCAPVESLRMDO-SJLPKXTDSA-N 358.413 2.244 0 40 FEAB C[C@]1(CNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1(F)F 661135086 ARZSHODYWNYRBG-SUMWQHHRSA-N 367.396 2.011 0 40 FEAB COc1ccc2c(c1)OC[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 678097152 AJOCRIFDDSXKDV-HNNXBMFYSA-N 353.422 2.424 0 40 FEAB COCCN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cccn1 47542475 ABMYVULGCLGCIV-UHFFFAOYSA-N 352.398 2.343 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3nccs3)C2)c1 585320428 BLZZTOYBBLEHTQ-ZDUSSCGKSA-N 352.437 2.188 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)N3CCCCCC3)C2)n1C 5001461 XNYJFTXUMVTUNF-CQSZACIVSA-N 351.520 2.119 0 40 FEAB CCOc1ccc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 5653747 WYAAJVOJJIGWAL-UHFFFAOYSA-N 367.357 2.107 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)Cc3ccccn3)nn2c(O)c1C 12222893 KDHQOANNORRXKX-INIZCTEOSA-N 351.410 2.353 0 40 FEAB CCN1CCN(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)CC1 12993654 RKHBUGUDBBSIMC-HNNXBMFYSA-N 357.454 2.196 0 40 FEAB O=C(Cc1ccccn1)N1CCC(O)(Cn2ccc3ccncc32)CC1 13267844 BBZLFLOAQBNRCS-UHFFFAOYSA-N 350.422 2.028 0 40 FEAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)c(F)c1 15041569 PFZIOBXRZQDCIG-ZDUSSCGKSA-N 374.416 2.474 0 40 FEAB CCN1C[C@@H](C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)CC1=O 19526977 YKZHFGUQXIREOK-AWEZNQCLSA-N 373.478 2.346 0 40 FEAB Cc1[nH]n(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)c1C 19577052 FTCFFBDLNAUVKM-GOSISDBHSA-N 359.426 2.078 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O 19797409 VBVJJBKZXRUMML-CYBMUJFWSA-N 370.430 2.202 0 40 FEAB COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 1624081 YUIGSRGRYOBFRF-WOJBJXKFSA-N 355.390 2.102 0 40 FEAB biogenic,in-vitro Cc1ccc([C@H](NC(=O)CN(C)CC(=O)N(C)C)c2cccs2)cc1 26882792 SAAANECAAZYYHH-IBGZPJMESA-N 359.495 2.282 0 40 FEAB CCc1cc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)nc(C)n1 1888869438 NNCSLMVHUCAOBB-UHFFFAOYSA-N 351.458 2.334 0 40 FEAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)C(=O)Nc1cc(F)ccc1F 9708596 JUSXEMZCJIIMDF-UHFFFAOYSA-N 371.343 2.377 0 40 FEAB CCCn1cc(C(=O)N2CCOCC2)c2nn(-c3ccccc3)c(=O)c-2c1 10062632 NVKDRPOSHPCWPR-UHFFFAOYSA-N 366.421 2.021 0 40 FEAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1F)N1CCCC1 11846861 PLZWCAWNGVFUDH-INIZCTEOSA-N 351.447 2.280 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@H](Oc3nccnc3OC)C2)c1 225493954 WFFOQIKZMSUNLT-INIZCTEOSA-N 357.410 2.106 0 40 FEAB Cc1cc(C(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)c(C)o1 575613830 WGZHQVJGFNPFKR-UHFFFAOYSA-N 353.375 2.419 0 40 FEAB CCOC(=O)C1CCN(C(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1 4062408 OOTUVCFJAWPGRC-UHFFFAOYSA-N 356.422 2.471 0 40 FEAB COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19569887 FQEABXPCGZXADK-SFHVURJKSA-N 366.465 2.427 0 40 FEAB CCc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)o2)cc1 899657 MCUVUVJKELYROW-UHFFFAOYSA-N 363.439 2.162 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(SC)cc1OC 5835017 PGPKVBZUKUCHPL-UHFFFAOYSA-N 369.439 2.033 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 6880414 XGQCWZXZMBIWBP-UHFFFAOYSA-N 362.451 2.070 0 40 FEAB CCOc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1 7066377 JPOMZLNYMNJBFT-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccccc3)C2=O)cc1 7201050 UZRXATSFJOMAMQ-JXFKEZNVSA-N 354.406 2.202 0 40 FEAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(OC[C@H]2CCCO2)cc1 32930010 PGSAGRHWRJWTAJ-MRXNPFEDSA-N 352.390 2.296 0 40 FEAB C[C@@H]1[C@@H](NC(=O)NC(=O)Cn2ncc(=O)c3ccccc32)CCC[C@H]1C 103322883 QXKDSUHDXJMXBO-IPYPFGDCSA-N 356.426 2.047 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 23187941 PUUBQVJGXZHIGE-INIZCTEOSA-N 356.470 2.356 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1C 1072087 ASPZVNOKEFCYNH-UHFFFAOYSA-N 351.380 2.268 0 40 FEAB Cn1c(CN2C(=O)N[C@@]3(CCSC3)C2=O)nc2cc(Cl)ccc21 47350112 XAWPVNICUWXHQP-OAHLLOKOSA-N 350.831 2.154 0 40 FEAB CCc1c(C(=O)NCCc2cccs2)cnn1-c1ccc(OC)nn1 24538100 NVHVEOVDDHSDMW-UHFFFAOYSA-N 357.439 2.267 0 40 FEAB CC(C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 56019903 QGEFIGWUMJTADZ-CQSZACIVSA-N 358.891 2.158 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cs1 107213501 FGMXRVMINDULQZ-UHFFFAOYSA-N 369.450 2.460 0 40 FEAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1ccc(OC(F)F)cc1 56615889 WIHYIVURWGTENT-QMMMGPOBSA-N 360.338 2.019 0 40 FEAB COc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1OC 20461254 SINQBYCOIKFFBR-UHFFFAOYSA-N 354.453 2.169 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)Nc1cc(C)on1 58192234 NYVWGANWVHSHSV-UHFFFAOYSA-N 373.413 2.023 0 40 FEAB C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1N)c1ccccc1 3274709 KWAZJVANQYVMDQ-LBPRGKRZSA-N 354.439 2.023 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 67198144 UWEJJNMVBXZDJM-UHFFFAOYSA-N 362.332 2.396 0 40 FEAB COCc1cccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)c1 58214526 DIOOLHAUIDHUHG-UHFFFAOYSA-N 353.422 2.263 0 40 FEAB O=C(CN(CCO)C1CC1)Nc1ccc(NC(=O)c2cccs2)cc1 58224933 PQUJZCPIEDDFFU-UHFFFAOYSA-N 359.451 2.396 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cn1 44918072 ZBZPAVMYEHXVGG-UHFFFAOYSA-N 370.384 2.316 0 40 FEAB COC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 2328036 LTOSGTJMVNKJBK-UHFFFAOYSA-N 364.357 2.302 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(OC)c1OC 3385564 CXLUPCGGSGNXJE-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB COC(=O)c1cc(CNC(=O)[C@H]2COc3ccccc3C2)ccc1OC 12790218 GHQULAJLNQJOKR-OAHLLOKOSA-N 355.390 2.349 0 40 FEAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12754041 OFHAYHFWQLJGBZ-LBPRGKRZSA-N 354.410 2.324 0 40 FEAB NC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7055187 QJPMTHRWOIAKIT-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1 67618231 WZLSBECRHRJFDS-OALUTQOASA-N 365.433 2.416 0 40 FEAB C[C@@H]1CN(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@@H](C)O1 80326545 SRXWMUCLUSGRQP-GHMZBOCLSA-N 351.428 2.471 0 40 FEAB O=C(OCC(=O)N1CCCC1=O)c1cccc(NC(=O)c2cccs2)c1 5089757 GMTRFIAIFBKSDJ-UHFFFAOYSA-N 372.402 2.306 0 40 FEAB CCN(CC)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 7990153 UKAWIMBJESCSDB-UHFFFAOYSA-N 374.437 2.354 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)OCc1nnc(-c2ccccc2)o1 7428372 KXJXXXVZODUWEE-UHFFFAOYSA-N 351.362 2.139 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCCC3)c(Cl)c2)C1=O 15858304 TYPULPRTFVWUNQ-NSHDSACASA-N 370.858 2.279 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCCn2c(C)nc3ccccc32)s1 8780527 QKTSWKPWLDFWIH-UHFFFAOYSA-N 356.451 2.261 0 40 FEAB CCNc1nnc(SCC(=O)Nc2ccccc2S(C)(=O)=O)s1 18663575 OZJOJUTYSFUALT-UHFFFAOYSA-N 372.497 2.104 0 40 FEAB CNC(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 9874405 ZPANSNXRCAEAIB-LBPRGKRZSA-N 354.410 2.444 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)cccc2c1 97012928 WEKPLSXJJDTBIN-MRXNPFEDSA-N 372.450 2.039 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cnc3ccc(Br)cn3c2=O)n(C)n1 97358398 BLBUSCOFWFCHSY-IBGZPJMESA-N 420.223 1.294 0 40 FEAB CCn1ccnc1CN1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@@H]1C 75610953 JJPHDDUBJWJWON-ZDUSSCGKSA-N 371.485 2.397 0 40 FEAB O=C(NS(=O)(=O)c1cccnc1)c1ccccc1NCc1cccnc1 95987657 CFXVWXJUIYYKPZ-UHFFFAOYSA-N 368.418 2.207 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)o1 95957815 FKSRNCSCSXSEBE-RKDXNWHRSA-N 361.261 2.472 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCc2cnc(N)s2)c1 95995828 RWTORHMZIUQEBE-NSHDSACASA-N 361.423 2.431 0 40 FEAB Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCc2c([nH]c3ccccc23)C1 89364476 DBNANUXWEDWTEF-UHFFFAOYSA-N 350.422 2.386 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408564436 YFFDFVFFQQHBAT-OAHLLOKOSA-N 368.499 2.463 0 40 FEAB C[C@H](c1ccccc1)N1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 504468670 SCRGRGKCTQTHEU-LZQZEXGQSA-N 370.474 2.262 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 524733257 JYOUOFKZYIEYGT-APWZRJJASA-N 361.490 2.167 0 40 FEAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217577958 HJKCKQOKOQUPLE-LLVKDONJSA-N 356.444 2.053 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224946777 LRUVJPCEZVLDAZ-JTQLQIEISA-N 354.457 2.257 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223566570 ZZENTZKJTQIXBD-MSOLQXFVSA-N 365.462 2.232 0 40 FEAB COc1cccc(N(CCCC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1 225013056 LIZRVFFKMHXKAD-UHFFFAOYSA-N 368.499 2.500 0 40 FEAB CC1CCN(C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 224009733 ZYTHITQLVXSESH-AWEZNQCLSA-N 354.472 2.108 0 40 FEAB Cc1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)nn1C 97513399 BBGSFDWCEZBVRF-UHFFFAOYSA-N 362.861 2.219 0 40 FEAB CN1CCc2ccc(S(=O)(=O)NCCN3CCc4ccccc4C3)cc21 333023010 FPCKNZNWLLLTOB-UHFFFAOYSA-N 371.506 2.016 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1cccs1)CCC2 96259354 ZJZOZNRQXHFDLW-UHFFFAOYSA-N 358.467 2.042 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ncccc2C)COC1 96112760 GXCSIHQWXOZVPB-HNNXBMFYSA-N 366.421 2.387 0 40 FEAB biogenic,in-vitro C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3cnccn3)[C@H]1CCCC(=O)N2 257323916 WMJPFSGNQKDEJC-ZWOKBUDYSA-N 350.422 2.491 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](CCOc4cncc(C)n4)CCO3)C2)on1 253601046 HWDBYZPGANDFEE-OAHLLOKOSA-N 372.425 2.172 0 40 FEAB Cc1nccc([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257297762 RISBUHDBIKEITB-SFHVURJKSA-N 351.410 2.125 0 40 FEAB CN1CCN(C(=O)NCCn2c(=O)oc3ccccc32)Cc2ccccc21 592527931 LSCWQBQAMWQXFO-UHFFFAOYSA-N 366.421 2.256 0 40 FEAB Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cn1 618929934 NLFQJCQQUHODGW-DOTOQJQBSA-N 367.453 2.305 0 40 FEAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(C)c2)C1 624181360 MGQIJTYSLRHXLV-HUUCEWRRSA-N 353.488 2.027 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C 634027868 WHKWYBSFKPWZRR-ZYGLAHAYSA-N 361.417 2.036 0 40 FEAB Cn1ccc2cc(CCNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 390830335 KGBIMTDXDKPGSO-UHFFFAOYSA-N 353.397 2.293 0 40 FEAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C)c2)OCCO)cc1 96337983 QHANSAFBTFXALZ-SFHVURJKSA-N 367.442 2.471 0 40 FEAB Cc1ccccc1S(=O)(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 585112879 XTDSBRLASGRNJS-GOSISDBHSA-N 374.510 2.423 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)c1 585095775 JYNSOTNTXJORHG-SFHVURJKSA-N 368.437 2.333 0 40 FEAB CC1CCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)CC1 49411304 HTGPRAOPVZVWTK-UHFFFAOYSA-N 372.498 2.088 0 40 FEAB NC(=O)[C@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCO1 51712252 HMHMQYMCCOPGKU-OAHLLOKOSA-N 365.861 2.048 0 40 FEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 95958491 YHZCCPXSAQDOFE-NSHDSACASA-N 353.371 2.100 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 571401432 JLKSSDPGBHZBOW-KBPBESRZSA-N 361.822 2.036 0 40 FEAB CCc1cc(C(=O)N2CCc3nc4c(C)csc4c(=O)n3CC2)on1 12276657 OHIHQFWICJHYLT-UHFFFAOYSA-N 358.423 2.015 0 40 FEAB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(N)(=O)=O 12750744 DKWJACZLKLUAFO-UHFFFAOYSA-N 357.391 2.143 0 40 FEAB CC[C@H](C(=O)NCCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711909 SUNGZDHVUDKFST-CQSZACIVSA-N 362.879 2.037 0 40 FEAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101273944 VLTBLBWCLUYPMJ-NSHDSACASA-N 372.240 2.377 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(OCC2CCOCC2)c1 244983878 IUWOSRINWPHOCC-UHFFFAOYSA-N 368.393 2.309 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541918 QPWMGJKCHWXUKK-KXBFYZLASA-N 356.447 2.215 0 40 FEAB O=C(N1CCO[C@@]2(C1)C(=O)N(CC1CC1)C[C@@H]2c1ccccc1)C1(F)CC1 1565546394 ADVHLRAORKFALW-DYESRHJHSA-N 372.440 2.122 0 40 FEAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C)c3)c2=O)cc1 2973093 LIPJYZQEAATSCC-UHFFFAOYSA-N 351.362 2.095 0 40 FEAB CCOc1ccc(N2C[C@H](NC(=O)NCc3cccnc3)CC2=O)cc1 4272638 PYHMPQCHRYDGTF-OAHLLOKOSA-N 354.410 2.085 0 40 FEAB COCCn1ccc2c(OCC(=O)NCc3ccccc3)cccc2c1=O 4584313 RQIRZVDRZOZXSK-UHFFFAOYSA-N 366.417 2.343 0 40 FEAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cc(F)ccc1F 4941362 IBRMKSVQKDLINH-LBPRGKRZSA-N 354.353 2.095 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NCc1ccccn1 9827930 IVLOAQOMUCUPJU-UHFFFAOYSA-N 350.378 2.416 0 40 FEAB CCc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 13700295 PDKFNCRYPIQCBS-UHFFFAOYSA-N 351.414 2.041 0 40 FEAB O=C(c1cn2cc(Cl)ccc2n1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 2055738827 SYMNVFSDVSLQHF-WMLDXEAASA-N 374.872 2.171 0 40 FEAB NC(=O)C1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 24938876 MKDSIYLDQUGKHL-INIZCTEOSA-N 351.450 2.353 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 21266111 CQXIHHGDGGQUMH-UHFFFAOYSA-N 366.465 2.401 0 40 FEAB CNC(=O)CCCc1nnc(-c2ccccc2I)o1 50559221 CQMUTNVAGVLQCG-UHFFFAOYSA-N 371.178 2.410 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccncc3)C2)cc1 810163 HWGSMUVWHGMJFD-QGZVFWFLSA-N 373.478 2.107 0 40 FEAB NC(=O)c1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCC2 7288684 ILDAWAJQIWQCDF-UHFFFAOYSA-N 364.452 2.327 0 40 FEAB COCCNC(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 4222646 YXASKZKCWGQDJC-DZGCQCFKSA-N 363.454 2.270 0 40 FEAB biogenic,in-vitro Cc1cccc(NC(=O)CSc2nnc3[nH]c(=O)c(C(C)(C)C)nn23)c1 4251428 FDGZCUKFEYBLFM-UHFFFAOYSA-N 372.454 2.149 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cnccn2)CC1 11544265 WEFGTYAHHSGBSS-UHFFFAOYSA-N 350.344 2.387 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)n1 8053678 QJKUKMMQGBGDBG-UHFFFAOYSA-N 352.851 2.182 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(OC)cc3)ccc21 8587126 OPCCREQBTSXWDV-UHFFFAOYSA-N 374.462 2.337 0 40 FEAB Oc1n[nH]c2c1CCN(Cc1ccc(O[C@@]34CCCN(CC3)C4)cc1)CC2 67818090 GJMWZZHEOBTOJA-NRFANRHFSA-N 368.481 2.333 0 40 FEAB C[C@@H]1C[C@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C(=O)O1 53020556 BMOJIQKHADVVML-YGRLFVJLSA-N 352.818 2.400 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C1CCCC1 41796609 WZTMSKMNNKNVAF-PMPSAXMXSA-N 350.459 2.016 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)C1 103309879 AMHOYIMMTKAESS-HLLBOEOZSA-N 357.454 2.044 0 40 FEAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 22056632 FCJXLDFVMXBQDF-WMZOPIPTSA-N 361.486 2.492 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 42318087 QMXWMTGWYIZPEA-GQCTYLIASA-N 351.405 2.304 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3occc3C)[nH]c(=O)c2c1C 12568353 VTKXHSCJMAMDCE-UHFFFAOYSA-N 362.363 2.338 0 40 FEAB O=C([C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1)N1CCOCC1 44403800 WWALFUSZGQLOBW-PKOBYXMFSA-N 356.466 2.204 0 40 FEAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)OCC)C2)n1 44598452 CNVIBGKXGKEQDF-SNVBAGLBSA-N 355.416 2.127 0 40 FEAB CCC[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 7687719 JMNNPRLBPNTHKO-CYBMUJFWSA-N 370.471 2.091 0 40 FEAB CCCn1c(S(=O)(=O)Cc2csc(C3CCCCC3)n2)n[nH]c1=O 58014107 RPIFKJIIBAQFGC-UHFFFAOYSA-N 370.500 2.460 0 40 FEAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@@H]1c1ccc[nH]1 58155009 UVUFMYNFQFHMGO-QGZVFWFLSA-N 359.451 2.433 0 40 FEAB Cc1noc(C)c1CC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 58224014 HRHCMRCJQSTMQM-ZDUSSCGKSA-N 372.343 2.409 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](Cc3ccccc3)C(N)=O)c12 58224259 JJRSHOBWAKBHDL-MRXNPFEDSA-N 364.405 2.235 0 40 FEAB CC(C)CCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58324268 CTSFBKJASMGLRK-IRXDYDNUSA-N 355.438 2.423 0 40 FEAB CC1CCN(C(=O)[C@H](NCC(=O)NCc2ccco2)c2ccccc2)CC1 58305623 GAEZKEHVBYDCCE-HXUWFJFHSA-N 369.465 2.485 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1C 28253890 QSKDZPKSLFHATL-UHFFFAOYSA-N 373.434 2.156 0 40 FEAB Cc1ccccc1CN1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1 36396392 HSOROQPZGRICPT-UHFFFAOYSA-N 365.543 2.479 0 40 FEAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(C)noc2C)cc1 12779641 IGZGDMKHZDVXCT-UHFFFAOYSA-N 363.439 2.004 0 40 FEAB COc1ccc(-c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1 48288869 CUBSBUHKCXJBGO-UHFFFAOYSA-N 355.423 2.286 0 40 FEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 27337319 JWPASWCSJRUULL-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB CCOC(=O)N1CCC[C@H](C(=O)Oc2ccc(C(=O)OC)cc2OC)C1 12984929 ZRPQSVPIDRWUHQ-ZDUSSCGKSA-N 365.382 2.256 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1COc2ccccc2O1 6055298 JGQWYEHERUSFLN-YVEFUNNKSA-N 357.362 2.405 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306132129 KZRDHHRWLCAOLQ-FXAWDEMLSA-N 353.470 2.307 0 40 FEAB COC(=O)CCCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8132986 HRVBYOLIRLGDKK-UHFFFAOYSA-N 365.389 2.069 0 40 FEAB COC(=O)c1cc(Br)c(=O)n(Cc2ccc3c(c2)OCO3)c1 4311529 JPCKTZROQCNHJX-UHFFFAOYSA-N 366.167 2.174 0 40 FEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc[nH]1 5261684 XPCHAKZPUZPZKS-UHFFFAOYSA-N 351.453 2.169 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)NCCCn3ccnc3)cc2oc1=O 5207232 AEZQHJXMZOLDDE-UHFFFAOYSA-N 355.394 2.192 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 6315579 CEOOSCNRKACCRS-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)c1ccc2nnc(C(F)(F)F)n2n1 14018486 LAFOKBWRPUKCJR-UHFFFAOYSA-N 368.294 2.357 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)c(Cl)cc12 5322077 VRDMBQRBWGMTRR-UHFFFAOYSA-N 366.845 2.456 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccc(F)cc2)C1=O 4787388 JFIASCUHVQAWCD-IBGZPJMESA-N 372.352 2.400 0 40 FEAB COc1ccc(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 15082079 JSVSEDZEWLGWMK-UHFFFAOYSA-N 353.334 2.404 0 40 FEAB Cc1ccnc(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)c1 5923681 BRNUMWASAPZVRS-AWEZNQCLSA-N 353.403 2.497 0 40 FEAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NC(C)(C)C)C3=C2C(=O)OC3)c1 67288865 QBECAIKRDWUXAA-KRWDZBQOSA-N 371.437 2.095 0 40 FEAB O=C1CCc2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)ccc2N1 8744797 PNPKUGRPVSKCFO-UHFFFAOYSA-N 353.330 2.340 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1C 9155520 ZPYMRTJTPKFDGH-UHFFFAOYSA-N 360.410 2.310 0 40 FEAB O=C(c1cc(Cl)ccc1F)N1CCC(C(=O)N2CCOCC2)CC1 9449396 VXRVLPADVVLNMH-UHFFFAOYSA-N 354.809 2.190 0 40 FEAB C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=S)n1C1CC1 72309563 NTXAODGFDVDQJB-JTQLQIEISA-N 369.491 2.395 0 40 FEAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2ccccc2F)c1 95468579 FDEFXPFRLFJOBW-UHFFFAOYSA-N 361.192 2.088 0 40 FEAB COC(=O)N[C@H](C(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1)C(C)C 95458885 RQAWBQJEAVDUAQ-RCBQFDQVSA-N 352.431 2.268 0 40 FEAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN[C@@H](CO)c2cnn(C)c2)cc1 95941431 YZKUQQNPDLRWPO-BEFAXECRSA-N 358.486 2.119 0 40 FEAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c[nH]1 78967469 QOGXVUOURLMBGO-UHFFFAOYSA-N 366.395 2.087 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 306129751 ILQSNCWFNJGINY-SJORKVTESA-N 374.448 2.230 0 40 FEAB COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 32876257 YMIOVIIAFAEKLT-UHFFFAOYSA-N 350.396 2.077 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306144924 ZSFOYVSJPUMEGN-ZIAGYGMSSA-N 371.872 2.128 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218410934 QQPZBFLRJJWFDG-RBUKOAKNSA-N 360.475 2.468 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217526199 BFTSIOPTFTZDCP-TZMCWYRMSA-N 370.471 2.443 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 45903721 YMNVEIHMDGDBQF-AWEZNQCLSA-N 354.406 2.373 0 40 FEAB Cc1cc(CNC(=O)c2ccc(F)cc2Cl)nc(N2CCOCC2)n1 224226688 XKTPYNSZALCWNX-UHFFFAOYSA-N 364.808 2.344 0 40 FEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 222910373 DDRQEUVPZKTUNR-INIZCTEOSA-N 354.450 2.444 0 40 FEAB O=C(Cc1cccnc1)N1CCC2(CCN(C[C@@H]3CCOC3)CC2)CC1 96063010 XBHIIQSFKLTHRW-IBGZPJMESA-N 357.498 2.365 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96076478 WVBOKJIHQOPZMJ-HXUWFJFHSA-N 352.438 2.236 0 40 FEAB O=C(c1cnccn1)N1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 96239587 TVPZQKQEISBSFQ-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCCN2CCCC[C@H]12 96343830 AHAIRZAPYGTJAM-CRAIPNDOSA-N 368.481 2.236 0 40 FEAB biogenic O=C(c1ncccn1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257209188 BPHZOSQEAGNTLU-PXNSSMCTSA-N 353.422 2.457 0 40 FEAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(C(F)(F)F)nc1 253473015 QZJDGNZWDMUYJG-UHFFFAOYSA-N 362.315 2.221 0 40 FEAB CCc1cc(C(=O)N2CCC[C@@H](c3ccc4c(N)nn(C)c4n3)C2)no1 257264175 LTFHMKCOEXCLBP-LLVKDONJSA-N 354.414 2.121 0 40 FEAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2ccccc2F)C1 257320542 VXGPSGZSRZHLBW-ZDUSSCGKSA-N 351.447 2.407 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257265157 LXNPWWJZWSAQCF-HNNXBMFYSA-N 359.401 2.247 0 40 FEAB CS(=O)(=O)c1ccsc1NC(=O)C[C@H](n1cccn1)C(F)(F)F 668872536 SOEGMNVUDKVEBM-VIFPVBQESA-N 367.374 2.480 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3C[C@@H](C(F)(F)F)OC[C@@H]3C)cc2=O)cc1 672174779 ZBKXPKOJVZTHLR-FZMZJTMJSA-N 369.343 2.266 0 40 FEAB Cn1cc(N2CC[C@@H](NC(=O)N3CC4(CCC4)c4ccccc43)C2=O)cn1 682867936 ZALLINMITXQJQW-MRXNPFEDSA-N 365.437 2.177 0 40 FEAB C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)CCN(C2CC2)C1 297686841 XKLCEZVQCIAUGG-WDYCEAGBSA-N 358.486 2.427 0 40 FEAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc(C(F)(F)F)nc1 575606206 FABSXHDPCJFJAT-UHFFFAOYSA-N 357.361 2.351 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@@]12CCCN(C[C@@H]1CCCO1)CC2 585099937 AMFOTJBMCWZBGT-MAUKXSAKSA-N 364.515 2.486 0 40 FEAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cn1 585099823 CZURMTBYVSKEDG-AZUAARDMSA-N 360.502 2.429 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CCC(O)CC1)C2 585104099 LONILBWYEXVKEL-LJQANCHMSA-N 358.482 2.155 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@](O)(COc2cccc(F)c2)C1 585277408 UFMKIQDNOQQPKF-QGZVFWFLSA-N 351.399 2.030 0 40 FEAB Cc1cc2nnc(S(=O)(=O)CCO[C@H]3CCCC[C@@H]3C)n2c(C)n1 48285610 SUOFEYSUKAWCKQ-FZMZJTMJSA-N 352.460 2.110 0 40 FEAB COc1ncccc1CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 56386974 ZPJAUIFKJKZVFP-AWEZNQCLSA-N 364.446 2.289 0 40 FEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2s1 58186478 SEASRVOMMHLEBI-HNNXBMFYSA-N 353.447 2.442 0 40 FEAB COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 58415469 KMPZHZQYMPTKKI-GOEBONIOSA-N 368.433 2.460 0 40 FEAB CO[C@@H](CS(=O)(=O)Nc1ccc(-c2coc(C)n2)cc1)[C@H]1CCOC1 656615786 GIRZHJFHYNBWHS-YOEHRIQHSA-N 366.439 2.443 0 40 FEAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)N3CCOCC3)C2)on1 12118362 BLEVKZGTCLKUSU-AWEZNQCLSA-N 357.414 2.072 0 40 FEAB CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)c1C 12365964 NIGCILFNNOAQJI-OAHLLOKOSA-N 351.476 2.251 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)c2ccccc2)cc1 15221151 WFZBIGGVOBTRRO-CQSZACIVSA-N 361.419 2.088 0 40 FEAB CCCCc1nc2n(n1)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 17075861 YNHDROALWJQOFV-AWEZNQCLSA-N 370.413 2.101 0 40 FEAB CCN(C(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc12)C1CCN(C)CC1 19660560 STESKUVYISYUFI-OAHLLOKOSA-N 370.497 2.463 0 40 FEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(Cl)cc2c1OCC2 544431848 DHRHUXOUYLWYGP-INIZCTEOSA-N 358.825 2.030 0 40 FEAB NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(F)c(F)cc1Br 682610632 NXXIWZOHCVSMLR-UPFKWVMWSA-N 373.197 2.453 0 40 FEAB CC(C)c1nc(N2CCN(C(=O)CCC(F)(F)F)CC2)nc(O)c1F 1888842557 KKNJVDRUULPFQT-UHFFFAOYSA-N 364.343 2.436 0 40 FEAB Oc1nc(N2CCN(c3cnc4ccccc4n3)CC2)nc(C2CC2)c1F 1888908427 OZMJJPHMBTVFRW-UHFFFAOYSA-N 366.400 2.469 0 40 FEAB O=C(NCCOc1ccccc1F)NCc1ccc(-n2ccnc2)nc1 29728114 CGDRWZCNFUNERQ-UHFFFAOYSA-N 355.373 2.285 0 40 FEAB CC(C)c1noc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2086992587 RCRIAJXFPYFPCP-UHFFFAOYSA-N 365.441 2.367 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940778 ZHMROBYQUBUALD-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCOCC3)c(O)n2n1 22854277 VRGAFULOEFCSFB-OAHLLOKOSA-N 374.466 2.489 0 40 FEAB O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCCC2)cc1 30836222 BYLLAZDJJCEZQH-UHFFFAOYSA-N 370.430 2.267 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 30799232 CPTPPYMBYCGFHC-LBPRGKRZSA-N 359.813 2.470 0 40 FEAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)nc1 20223736 UDHUANDJNPASKX-UHFFFAOYSA-N 368.437 2.007 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 2408338 WCQWMGACBQRSDI-IBGZPJMESA-N 367.449 2.210 0 40 FEAB CC(=O)Nc1cccc(-c2nnc([C@H]3CCC[C@@H](NC(C)=O)C3)nn2)c1 1704357 QXEAYYWBHBNGPE-GOEBONIOSA-N 354.414 2.054 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)c1 3399803 UJHNBYDISFREOB-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3518005 ZYYPOZAATPXTCL-UHFFFAOYSA-N 353.835 2.073 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)Oc3ccccc3)cc3cccc1c23 11691552 GKCHRHGNVSHDQG-UHFFFAOYSA-N 353.355 2.491 0 40 FEAB Clc1cccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1 20662072 YTQNQWLUUILLNC-UHFFFAOYSA-N 358.833 2.213 0 40 FEAB O=c1c(CN2CCOCC2)coc(O)c1CN1CC[C@H](c2ccccc2)C1 101374169 PFZZWVAPKAYSFN-KRWDZBQOSA-N 370.449 2.167 0 40 FEAB CCCNC(=O)Cn1c2ccc(C)cc2c2nc3n(c(=O)c21)CCS3 4973411 SFLWTKSGHPQOSQ-UHFFFAOYSA-N 356.451 2.292 0 40 FEAB Cc1noc(C(C)C)c1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7411774 XDIRUKIMUGLKQH-UHFFFAOYSA-N 358.350 2.477 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)c1 32768259 KRNUOYLNCNBHMY-QGZVFWFLSA-N 365.393 2.191 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(Cl)c[nH]2)cc1 21523244 GPKBJMQNZCSSAW-JTQLQIEISA-N 364.785 2.316 0 40 FEAB CC(C)Cn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccccc1F 2642665 ICPCZJKSHPODHI-SNVBAGLBSA-N 365.434 2.416 0 40 FEAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(OC[C@@H]2CCCO2)cc1 32930009 PGSAGRHWRJWTAJ-INIZCTEOSA-N 352.390 2.296 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(Cl)s1 53680320 QXKMFHXVSRSNPQ-UHFFFAOYSA-N 374.871 2.030 0 40 FEAB Cc1cc(NC(=O)[C@H](NCC(C)(C)N2CCOCC2)c2ccccc2)no1 22912154 CVEHYJXLORPYGM-GOSISDBHSA-N 372.469 2.363 0 40 FEAB COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1 23653085 OXYFWQPPWGWTCP-UHFFFAOYSA-N 368.499 2.009 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)cc1 108527501 BFIJEAOUXPENMM-INIZCTEOSA-N 352.500 2.259 0 40 FEAB C[C@@H]1CCCN([C@H](C)CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 109049283 YVFIXMDIGIYEDR-HUUCEWRRSA-N 372.444 2.222 0 40 FEAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)Cc1ccccc1 25057674 JCNFZRYVFMIVRV-KSSFIOAISA-N 367.401 2.358 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1 56096985 FUARMYVDPQZZFX-UHFFFAOYSA-N 372.450 2.371 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 27394291 DCNRFXDJZMHZLF-ZBFHGGJFSA-N 350.846 2.487 0 40 FEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1CN(C)C 10085711 QSUGAVFWLVVYJL-UHFFFAOYSA-N 360.483 2.052 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ncc(C)s2)c(C)c1 10627575 KZSLMONEXKDOHW-UHFFFAOYSA-N 353.469 2.375 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCN(c3ccccc3Cl)CC2)c(=O)[nH]1 10742263 LNZSVVOTGPBADB-UHFFFAOYSA-N 374.872 2.322 0 40 FEAB Cc1nc(NC(=O)c2nccnc2N)sc1-c1nccn1C(F)F 12766608 ZYXUGYCVJHRAHL-UHFFFAOYSA-N 351.342 2.335 0 40 FEAB CN(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 12846492 MDHGAXFTYULUEH-HNNXBMFYSA-N 370.478 2.336 0 40 FEAB c1cc2c(s1)CCN(c1ccc(Nc3ccc4nnnn4n3)cn1)C2 12982053 QVBYNAOUMWSWFI-UHFFFAOYSA-N 350.411 2.282 0 40 FEAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NCCc1ccc(F)cc1 6111444 WBNMIJWRJQLWJQ-UHFFFAOYSA-N 371.437 2.445 0 40 FEAB Cc1cc(NC(=O)Cn2nnc(-c3ccccc3Br)n2)no1 6400220 RXCJBXMTTRZQJQ-UHFFFAOYSA-N 363.175 2.038 0 40 FEAB Cc1ccc(C)c([C@@H](C)NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 18013668 KGUBHBNPFUQKLY-CQSZACIVSA-N 371.462 2.219 0 40 FEAB COC[C@H](O)CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8879879 MFIPNGHTKNZBLK-CYBMUJFWSA-N 373.405 2.130 0 40 FEAB biogenic COCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3F)cc2C1=O 7754358 QWBKGDSNGDNWIM-UHFFFAOYSA-N 370.380 2.388 0 40 FEAB O=C(c1ccccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1 8040610 CFRNVMYMOVPPTF-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1C1CC1 8280143 RTHJSPLYEFYQTR-UHFFFAOYSA-N 358.427 2.076 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)nn12 9335778 BUORWWZOHIYTHP-UHFFFAOYSA-N 368.378 2.066 0 40 FEAB O=CN1CCN(c2nc3c(c(Nc4ccccc4)n2)C(=O)CCC3)CC1 9341532 GXJOSTSPXFUJIO-UHFFFAOYSA-N 351.410 2.018 0 40 FEAB COc1ccc(/C=C/C(=O)NCCCCN2CCC[C@H]2CO)cc1OC 83957529 XPNGDYDQPWDLSJ-VMSUTVGLSA-N 362.470 2.070 0 40 FEAB Cc1c(NC(=O)N2CCC[C@H](C)[C@H]2CO)c(=O)n(-c2ccccc2)n1C 89852382 QDQHBUOGIVXGJM-XJKSGUPXSA-N 358.442 2.109 0 40 FEAB O=C(COC(=O)[C@H]1CCCN1c1nccs1)NCc1ccc(F)cc1 97001788 IHGVLZNLNAJUJS-CQSZACIVSA-N 363.414 2.111 0 40 FEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 95441706 HFQVSPHRZWDFME-ZDUSSCGKSA-N 370.413 2.071 0 40 FEAB CC(=O)N[C@@H](CC(=O)N(CC(=O)O)Cc1ccccc1)c1ccccc1 95424488 IEMPDZQTADVZCD-SFHVURJKSA-N 354.406 2.367 0 40 FEAB COc1ccc(C)cc1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 9918574 HITLHYTWRPSGRM-UHFFFAOYSA-N 351.406 2.441 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306143654 YHYVGFXXLAFYJC-ZIAGYGMSSA-N 359.499 2.091 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409107706 UBXFBWMTUGLPBN-KWINOFQJSA-N 351.380 2.302 0 40 FEAB Cc1oc(C)c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1C 31690890 PMCAGXUZXPSJJA-UHFFFAOYSA-N 353.396 2.088 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 34872638 MBCNILKFJNYBKB-SOUVJXGZSA-N 358.438 2.315 0 40 FEAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217578043 HJKCKQOKOQUPLE-NSHDSACASA-N 356.444 2.053 0 40 FEAB CN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 37977947 DBLUEKJHEFIICR-SECBINFHSA-N 366.664 2.362 0 40 FEAB COC1(C)CCN(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1 561139371 ABYKVRBBNXJSGP-UHFFFAOYSA-N 360.414 2.118 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225852906 FBEMCAWLUBJHAB-ZOMKSWQUSA-N 366.483 2.155 0 40 FEAB CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2C1 40647408 JLVUOZUACDQRGM-UHFFFAOYSA-N 358.463 2.412 0 40 FEAB CSc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1NC(C)=O 225573520 AOWLBEZBHLYOBI-UHFFFAOYSA-N 371.528 2.131 0 40 FEAB O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1c(F)cccc1Cl 49408773 LDVBMKCKDXOETG-UHFFFAOYSA-N 370.833 2.474 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 225403242 KETFRXUACLRUTJ-HNNXBMFYSA-N 351.410 2.317 0 40 FEAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)COc1ccccc1)C2 96218851 HFFHJXBKEHADHP-GHTZIAJQSA-N 358.482 2.272 0 40 FEAB CC(C)CCN1CC(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 230097877 CJYWTETVWSXBGI-CVEARBPZSA-N 370.902 2.200 0 40 FEAB Cc1ccccc1CN1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 96107752 ISFIWAHMMZDQLR-CTNGQTDRSA-N 358.482 2.367 0 40 FEAB O=C(O)CCC/C=C/C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCCCCO 96014667 AZIGEYVZEVXWAD-VZDHISMWSA-N 368.470 2.224 0 40 FEAB Cc1nonc1CN1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 92028693 GTBZAVGWFUCPOA-UHFFFAOYSA-N 369.469 2.220 0 40 FEAB O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CCCC[C@@H]1n1cccn1 585140011 MUIOBKFTEQELND-IRXDYDNUSA-N 369.473 2.125 0 40 FEAB O[C@@H]1C[C@H](NCc2ccccc2OCc2cccnc2)[C@H]1n1cccn1 657514906 OJXAZXVDMZYSPS-NLWGTHIKSA-N 350.422 2.321 0 40 FEAB CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1615209005 PCQLZUVBDBPXDO-IRXDYDNUSA-N 362.495 2.205 0 40 FEAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 585284383 XSYKPQMICHRCHE-HKUYNNGSSA-N 369.889 2.130 0 40 FEAB C[C@@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(=O)NC1CCCC1 56160917 QKQZIJGZUGBNLO-CYBMUJFWSA-N 374.441 2.208 0 40 FEAB COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(OC)c(C(=O)O)c1 58494749 RMNQMQTUVNGCHC-UHFFFAOYSA-N 363.391 2.153 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)n[nH]2)c1C 12115781 ARHNQZTXDWYCEY-OAHLLOKOSA-N 351.414 2.369 0 40 FEAB CCc1cc(N2CCC[C@H](C(N)=O)C2)n2nc3nc(C)cc(C)c3c2n1 12184398 VQHLJRLMDFLUKG-ZDUSSCGKSA-N 352.442 2.158 0 40 FEAB C[C@@H]1CCc2n[nH]c(C(=O)N3CCn4cc(C(F)(F)F)nc4C3)c2C1 12221174 VQVRQBJCOSWIKS-SECBINFHSA-N 353.348 2.406 0 40 FEAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 12690701 ALVNDAZBJWVXBR-QWRGUYRKSA-N 350.444 2.165 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ncccc2C)cc1 15952009 XUJSFVXCZUDOCX-UHFFFAOYSA-N 363.439 2.096 0 40 FEAB Cc1ccnn1CCC(=O)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19238479 CSAPNGXLMDTLMA-ZDUSSCGKSA-N 373.438 2.293 0 40 FEAB CN(C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)C1CC1 19582122 UTNKAJWVAABOBW-OALUTQOASA-N 357.498 2.212 0 40 FEAB CN1C(=O)S[C@H](CC(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)C1=O 19586843 ABRUHXVXXASBSV-GXTWGEPZSA-N 372.450 2.353 0 40 FEAB COCCn1c(S[C@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCC3 5430109 HBDWNZNAOINRHO-SECBINFHSA-N 368.480 2.247 0 40 FEAB O=C1[C@H]2CN(c3ncnc4cc(F)ccc34)C[C@@H]2C(=O)N1c1ccccc1 1888930487 XIHZUEAEGPNFCC-HOTGVXAUSA-N 362.364 2.395 0 40 FEAB CN(C)c1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)cn1 24794890 COKWBBNBFSJWQI-UHFFFAOYSA-N 364.453 2.278 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cn1 2037908885 DNEDJEBRPNLZAX-IBGZPJMESA-N 361.417 2.478 0 40 FEAB O=S1(=O)N=C(N2CCC[C@H](COc3ccncc3)C2)c2ccccc21 2086992537 IVPPVSBDGNLJLY-AWEZNQCLSA-N 357.435 2.322 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565547434 PMDZSFOZNOLWIZ-UTKZUKDTSA-N 366.465 2.003 0 40 FEAB CNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 4335452 RSQUHXNGZNLWEU-ZDUSSCGKSA-N 358.419 2.375 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)c(Cl)cc21 4788337 XHHWCSHNSFUUKU-UHFFFAOYSA-N 365.842 2.009 0 40 FEAB CC(C)(C)CC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822035 ORLMYFCKOBCOLZ-UHFFFAOYSA-N 367.453 2.194 0 40 FEAB CCn1cc(CN2CCC(Nc3cccc(F)c3)(C(=O)NC)CC2)cn1 2055739318 QWHMEKFGVMYSMO-UHFFFAOYSA-N 359.449 2.235 0 40 FEAB O=C(NC[C@H]1CCCO1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 225550204 IHRFJIFSYSAIJH-GFCCVEGCSA-N 373.862 2.180 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96368979 MOWKSWNWTIIINQ-HNNXBMFYSA-N 373.430 2.162 0 40 FEAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 40108110 COIMQFLRASHUKO-IRXDYDNUSA-N 371.481 2.050 0 40 FEAB O=S(=O)(Nc1ccccc1-n1ccnn1)c1ccc2c(c1)OCCCO2 40115580 AHIYIBPVIWYQBW-UHFFFAOYSA-N 372.406 2.229 0 40 FEAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc2c(c1)OCCO2 40162223 LGVSLCFYQUCZLV-KZULUSFZSA-N 353.374 2.417 0 40 FEAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 807296 NANIDSCCZFPZIG-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476156 BNSUXABCUBRXPQ-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 8605428 BQLZIJYCCKNVCD-UHFFFAOYSA-N 371.418 2.459 0 40 FEAB CN(Cc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8727425 LPRQTUYSHVMFSK-UHFFFAOYSA-N 371.455 2.269 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102428360 XZSOZTCBWLBHRY-OKILXGFUSA-N 366.339 2.273 0 40 FEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)C1 41629887 YSSXNBJEYVRQBQ-BETUJISGSA-N 372.462 2.047 0 40 FEAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccccc3)C2=O)c1 101260812 HKLDUTJAZFUCGE-CVEARBPZSA-N 352.350 2.202 0 40 FEAB Cc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 818482 PTDNQSGWJOIHAR-UHFFFAOYSA-N 362.407 2.128 0 40 FEAB CCOC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958738 BMZOLKHFHAGQOO-SNVBAGLBSA-N 352.412 2.456 0 40 FEAB O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 89783406 QGQCKPNMJNTKSA-CZUORRHYSA-N 374.828 2.016 0 40 FEAB Cc1noc(C)c1CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 24670642 QZPUYJXVTXDOSY-UHFFFAOYSA-N 358.442 2.199 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1 3185956 ZIJIBWSYMQMMNM-UHFFFAOYSA-N 366.439 2.040 0 40 FEAB COc1cccc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 24865033 NAPCHUCCLPDELN-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc(SCc3ccccc3)nc2)CC1 34871963 KPRKQZZSOGUZHC-UHFFFAOYSA-N 363.508 2.310 0 40 FEAB OCc1nc2c(I)cc(Br)cc2[nH]1 307019306 YBHBZOBOOZOMAV-UHFFFAOYSA-N 352.957 2.422 0 40 FEAB CC(C)(C)c1ccc(C(C)(C)CNC(=O)CN2CCCS2(=O)=O)cc1 119123298 HKJSDSOKRDXXRM-UHFFFAOYSA-N 366.527 2.413 0 40 FEAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3ccsc23)CC1 26954467 ZPCHJFNQBYJBQT-UHFFFAOYSA-N 366.468 2.084 0 40 FEAB CN1CCC(N(C)C[C@H](O)COc2ccc(Br)cc2)CC1 3305619 HSCLWTMHLZQAQR-HNNXBMFYSA-N 357.292 2.215 0 40 FEAB CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2087785 XSPWYPLOZXECSF-MRXNPFEDSA-N 373.405 2.420 0 40 FEAB biogenic CCN1C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)c2ccoc2)Oc2ccccc21 58153999 LOMMSZABWXPZJS-ZBFHGGJFSA-N 371.437 2.144 0 40 FEAB O=C1CCc2cc(OCC(=O)Oc3ccc4c(c3)CCC(=O)N4)ccc2N1 44840569 XTKKVVLSTIPYIM-UHFFFAOYSA-N 366.373 2.440 0 40 FEAB C[C@@H](c1ccccc1)N(C)C(=O)CN1C[C@H](C(N)=O)Cc2ccccc21 58404091 DQSYFEPEGSMXAA-MAUKXSAKSA-N 351.450 2.370 0 40 FEAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 48310215 JBYLDMNSRCAUQJ-IYBDPMFKSA-N 368.481 2.188 0 40 FEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2cncn2)cc1 12802717 QPOGLBAZQDIWSN-HXUWFJFHSA-N 361.449 2.331 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@@H]1CCCO1 13006369 FJXPUYNTIVBSPZ-LBPRGKRZSA-N 361.467 2.022 0 40 FEAB Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@H](C)c2nnc3ccccn23)c1C 13248792 LGHLJKYWYLIBAZ-GFCCVEGCSA-N 374.422 2.084 0 40 FEAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCCCCC1 7856838 JQXSVJJGGOYFIP-CYBMUJFWSA-N 353.440 2.038 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CN2CCC(C(=O)c3ccccc3)CC2)C1=O 14122339 ZMWZUNCDWMHNDC-FQEVSTJZSA-N 355.438 2.259 0 40 FEAB Cc1cccc(OCCN(C)C(=O)CN2C(=O)COc3ccccc32)c1 14202115 ZILUFPBZKFZSPL-UHFFFAOYSA-N 354.406 2.258 0 40 FEAB COc1cc(Br)cc(C)c1NC(=O)NCCC(=O)N(C)C 65800788 IOLFVYLHMCMVTL-UHFFFAOYSA-N 358.236 2.366 0 40 FEAB O=C(CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O)NC[C@H]1CCCO1 409201370 MFKFSDDCWWDRML-ZVILNBKNSA-N 362.407 2.167 0 40 FEAB CCc1ccc(CCC(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)cc1 96011935 XABASXRHSUFCEZ-UHFFFAOYSA-N 358.438 2.492 0 40 FEAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9322080 PCZTWYNBAJUCHC-ZDUSSCGKSA-N 353.378 2.153 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 9365360 DSYSKDUSRXJHNN-UHFFFAOYSA-N 364.442 2.483 0 40 FEAB CN1N=C(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCC1=O 9388608 CKAGNABNQLUTOA-UHFFFAOYSA-N 372.406 2.128 0 40 FEAB CC(=O)N1CCC(c2nnc3n2C[C@@H](C(=O)NC2CCCCC2)CC3)CC1 306129545 IGRFFYIRFVRIGD-INIZCTEOSA-N 373.501 2.015 0 40 FEAB COc1ccccc1C[C@@H]1CCCN1C(=O)NCc1cnc(N(C)C)n1C 83738344 FPJIPFISMBBBIM-INIZCTEOSA-N 371.485 2.411 0 40 FEAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncccc2Cl)cc1 95455167 NJNOPNVMSFTZPA-UHFFFAOYSA-N 360.844 2.329 0 40 FEAB CN(CC[C@@H]1CCCCN1C)CC(=O)NC[C@@H](c1ccccc1)N(C)C 95941567 BWCRJRATABFZQV-PMACEKPBSA-N 360.546 2.212 0 40 FEAB Cc1noc(CN2CCN(c3ncnc4sc5c(c34)CCC5)CC2)n1 36833436 IOUSOFPEIPJZGX-UHFFFAOYSA-N 356.455 2.194 0 40 FEAB CN1C[C@]23CCCC[C@@]2(C1)CN(C(=O)c1cccc2c1oc(=O)n2C)C3 1514998953 DCCFEYMUDIYZBY-BGYRXZFFSA-N 355.438 2.080 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)cc1 56919295 YJMVCQAPPGHFFU-UHFFFAOYSA-N 373.390 2.252 0 40 FEAB COCCNC(=O)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290534 KXHYUAOJPUDZPQ-ZDUSSCGKSA-N 354.410 2.355 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 72390952 ZRLIYCYJNCLMIU-UONOGXRCSA-N 370.428 2.045 0 40 FEAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2cc[nH]n2)cc1 72354868 APCCPVCWSCAQEZ-INIZCTEOSA-N 364.409 2.435 0 40 FEAB CC(C)N1CCC[C@H]1c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 49155151 JHERNLJAHCIYCZ-INIZCTEOSA-N 356.474 2.429 0 40 FEAB biogenic,in-vitro Cc1cc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2C)n(C)n1 227158702 SUJOUVYJJSFADM-HNNXBMFYSA-N 353.426 2.306 0 40 FEAB CN(C)c1cnnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 224308301 MJLYTCJZGRKKKE-UHFFFAOYSA-N 363.824 2.298 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 40160034 TZXFGALWNRCGQZ-QGZVFWFLSA-N 357.362 2.285 0 40 FEAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223192929 DPJRUQSNSOOZRQ-IBGZPJMESA-N 372.440 2.284 0 40 FEAB Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2ccccn2)C3)cs1 96217545 LRXNUTQBENQWCO-KDOFPFPSSA-N 359.451 2.152 0 40 FEAB Cc1ccccc1C(=O)N1CCc2nc(N3CCOCC3)nc(C)c2CC1 96254790 ZESPNEVLBSUDJB-UHFFFAOYSA-N 366.465 2.171 0 40 FEAB c1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96240457 VDOJMUFLTYEVPG-ICSRJNTNSA-N 354.454 2.196 0 40 FEAB Cn1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)c([C@H]2CCCNC2)n1 333900224 ZRGGYESGYZAGEH-BBRMVZONSA-N 360.483 2.162 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)ncn1 248069380 AREASULUYYLIDY-HNNXBMFYSA-N 355.442 2.002 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257344378 ZWYMYZIUQMCAFV-OAHLLOKOSA-N 354.414 2.071 0 40 FEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2OC)CC1 257298695 RMXOEYDMAXDVIW-XLIONFOSSA-N 373.497 2.159 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc3c(N)nn(C)c3n2)C1 257334877 YHTITVXWWOPEDG-GFCCVEGCSA-N 354.414 2.175 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257304091 SKADTEQVTQNHBK-ZFWWWQNUSA-N 359.451 2.237 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 257301020 RWPBQPISLHWHAW-INIZCTEOSA-N 355.442 2.276 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)nc(C)n1 257294679 QVGOGIZZERQZJL-IBGZPJMESA-N 354.454 2.369 0 40 FEAB CCOC(=O)N1CCN(C(=O)CN2CCC(c3cccs3)CC2)CC1 85473434 ONGXZFPYVYIMLA-UHFFFAOYSA-N 365.499 2.228 0 40 FEAB COc1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c2ccccc12 628376329 PWDQJAYCRUTDAO-UYAOXDASSA-N 353.422 2.206 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 643994625 KUMUVFMUCCDYAB-FQEVSTJZSA-N 354.406 2.321 0 40 FEAB O=C([C@@H]1CCCN1C(=O)Nc1ccccc1)N1CCOc2ncccc2C1 644062602 XUAVGIUARSMEAI-KRWDZBQOSA-N 366.421 2.499 0 40 FEAB Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 671798029 NTYQYGHLDDXLCO-UHFFFAOYSA-N 371.441 2.311 0 40 FEAB O=c1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)[nH]c2ccnn12 1775996633 BCOAVHNEIKTKPP-LJQANCHMSA-N 350.422 2.376 0 40 FEAB Cn1cccc1C(=O)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585111952 FLRZELPCJFSXKN-HNNXBMFYSA-N 353.426 2.192 0 40 FEAB C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CCN1Cc1cn[nH]c1 585097408 LHVBOQDPYSRUOR-LLVKDONJSA-N 359.821 2.205 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(Cl)cc2Cl)C1 685941196 UUIIZSRPSHQURQ-UFBFGSQYSA-N 359.209 2.045 0 40 FEAB COc1ccnc(N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)n1 58174873 ZJVLLIHOHSBOSS-UHFFFAOYSA-N 366.421 2.222 0 40 FEAB COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCCC1=O 71798132 FZQLMLSZQZVWKG-KBPBESRZSA-N 358.394 2.428 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnn(C)c1 95998413 MMJYWPMIEXYZNX-SFHVURJKSA-N 365.437 2.436 0 40 FEAB CC(C)OCC[C@@H]1CCCCN1C(=O)CCn1nc2ccccn2c1=O 72275574 KAXZTFGUJYDCKN-INIZCTEOSA-N 360.458 2.082 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)c1cc(N2CCC[C@H](CO)C2)ncn1 599441185 RRDYABPKQYSXSP-INIZCTEOSA-N 370.453 2.093 0 40 FEAB CCN(c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1)C(C)C 14075693 QMKANXZJTLDLBH-UHFFFAOYSA-N 368.441 2.003 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc2C)c1 17072876 AOALFSXXHFNACC-MVJTYMMSSA-N 351.406 2.215 0 40 FEAB CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 19448035 QVDWADHAFVYSHD-MRXNPFEDSA-N 372.494 2.271 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc([C@H]2CCc3nncn3C2)cc1 19699165 KUOLFBQLCRVHAI-AWEZNQCLSA-N 373.438 2.414 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(c3ncnc4c3CCC4)CC2)n1 1888860490 NUIIBSIFRBKJPF-UHFFFAOYSA-N 356.499 2.421 0 40 FEAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C[C@H](C)O1 15375810 TYGBJPRPPULCMB-GJZGRUSLSA-N 371.437 2.257 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055747736 RSZIKBKTIORFLT-HQYUYXFKSA-N 373.478 2.478 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCOCC2)s1 22767357 KVQJMMGPMZFWLL-AWEZNQCLSA-N 372.537 2.470 0 40 FEAB Cc1cccc(CS(=O)(=O)NCc2nccnc2-c2ccncc2)c1 585150675 ZCSGTIFYJYRNCY-UHFFFAOYSA-N 354.435 2.467 0 40 FEAB COc1ncc(NS(=O)(=O)c2ccc(Br)s2)cn1 384230721 XFGZZRPZYRKGGG-UHFFFAOYSA-N 350.219 2.110 0 40 FEAB CCN1CCC(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2C)CC1 27970882 SLHSFTPBKKHWJV-UHFFFAOYSA-N 356.488 2.117 0 40 FEAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)cc(Cl)c1OCC(N)=O 40033598 PDCKGEVJXNZFRP-JTQLQIEISA-N 363.801 2.099 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 40030626 UIZPAYUZYPEIOE-IBGZPJMESA-N 374.506 2.483 0 40 FEAB CCOC(=O)Cc1csc(SCC(=O)Nc2cc(C)nn2C)n1 11646407 DGLUBOOWGFIBPX-UHFFFAOYSA-N 354.457 2.021 0 40 FEAB O=C(c1cscn1)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119278 ROIVYTJEOHVUFP-VXGBXAGGSA-N 352.419 2.083 0 40 FEAB CC(C)(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010070 ZQHIODPHGXTEAF-UHFFFAOYSA-N 356.513 2.478 0 40 FEAB Oc1ccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297801 XPOWHSHDKVPCDC-CQSZACIVSA-N 365.378 2.298 0 40 FEAB COCCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8492279 RMWQUDPEKMCXEA-UHFFFAOYSA-N 362.879 2.039 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)c(Cl)c1 104346145 HWEXSXWABHKVOC-HNNXBMFYSA-N 364.829 2.119 0 40 FEAB Cc1ccc(OCCCC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C 89643236 KIUOWIOOSIHDEV-MRXNPFEDSA-N 368.499 2.003 0 40 FEAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(NC(=O)C2CC2)cc1 32908674 GYAJNNNSWBPMBX-UHFFFAOYSA-N 355.438 2.166 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cnc(C4CC4)nc3)ccc21 103060084 JPKXCQAFRSNFHM-UHFFFAOYSA-N 372.450 2.454 0 40 FEAB CCC(=O)c1ccc(OCC(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 22510886 XKUYQGOIAICOJN-GOSISDBHSA-N 362.470 2.131 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12 844829 JVKAQQFRBZAPCG-UHFFFAOYSA-N 373.760 2.163 0 40 FEAB C=Cn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 100120976 PWTPTWSGRLFABB-VQIMIIECSA-N 366.469 2.180 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 8116364 VBPJPBQYIQWVMJ-IBGZPJMESA-N 366.417 2.262 0 40 FEAB Cc1ccc(-n2c(SCc3ncon3)nnc2N2CCOCC2)cc1 12558393 MSKOYOMLSCTYMC-UHFFFAOYSA-N 358.427 2.088 0 40 FEAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 54911850 XBOCJSVIRKVLME-UHFFFAOYSA-N 371.412 2.231 0 40 FEAB Cc1cc(=O)c(C(=O)Nc2c[nH]ccc2=O)nn1-c1ccc(Cl)cc1 47929632 IRPWJCBARZULOC-UHFFFAOYSA-N 356.769 2.135 0 40 FEAB CCN(C(=O)CCc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 57355193 WYWQBVFAOQANAO-GFCCVEGCSA-N 352.481 2.265 0 40 FEAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 58201546 JDTWWTZVOASLIV-CYBMUJFWSA-N 361.833 2.199 0 40 FEAB COC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 20100473 VPLKECPVEUDQID-UHFFFAOYSA-N 362.445 2.449 0 40 FEAB CC(=O)N1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 58399062 NEULRLYXLVMXFC-UHFFFAOYSA-N 357.458 2.440 0 40 FEAB COc1ccc(OC)c2c1CN(Cc1cnn(-c3ccccc3)n1)C[C@H]2O 48236478 UVRLMDSPZUTCHR-QGZVFWFLSA-N 366.421 2.334 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 3592635 ZOWVQLSPMDKKDH-UHFFFAOYSA-N 357.410 2.328 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NCc1ccccn1 13693458 VMXDSWPEEPUEGS-UHFFFAOYSA-N 363.421 2.198 0 40 FEAB C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20490872 VAEWZCLJMDKHSX-KBPBESRZSA-N 356.513 2.407 0 40 FEAB Cc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 14094116 GIEKINZGROXGEH-UHFFFAOYSA-N 358.463 2.408 0 40 FEAB Cc1cc2oc(=O)cc(COC(=O)C3=NN(C)C(=O)CC3)c2cc1Cl 17734170 DIYPUWAWNIQBAJ-UHFFFAOYSA-N 362.769 2.406 0 40 FEAB COc1ccc(CCNC(=O)c2cnc3sc(C)cn3c2=O)cc1OC 4505715 VDLQIATYPWQUQL-UHFFFAOYSA-N 373.434 2.054 0 40 FEAB COC(=O)c1ccccc1OCC(=O)NCCc1ccc(OC)c(OC)c1 5654871 HCBMCZXMEXMZCT-UHFFFAOYSA-N 373.405 2.228 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccccc2F)[C@@H]1C 4979610 ORDGUPMJGLJWMI-IOASZLSFSA-N 364.417 2.040 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1 6937595 PAGGEPUVQHLNEP-UHFFFAOYSA-N 367.471 2.162 0 40 FEAB C[C@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc2c(c1)OCCO2 8723780 YLCLOXBWULQPJG-NSHDSACASA-N 351.366 2.129 0 40 FEAB CNc1ncc(-c2nnnn2-c2ccc(OC)cc2)c(C(F)(F)F)n1 16189489 HFEYPZNGEMLDOG-UHFFFAOYSA-N 351.292 2.188 0 40 FEAB Cc1cc(F)ccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9613954 WKBBCCNLSCZETA-FQEVSTJZSA-N 367.380 2.466 0 40 FEAB COc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)c1 9059885 VQDYLVWNOUJDAP-GFCCVEGCSA-N 352.398 2.217 0 40 FEAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)NC(=O)NC2CC2)cc1 9368089 SEDNTMWJBWSIJX-NSHDSACASA-N 359.455 2.353 0 40 FEAB COCCCNC(=O)CSc1nnc(-c2ccco2)n1CC(C)C 9566734 GVWUUFWTMVADLB-UHFFFAOYSA-N 352.460 2.439 0 40 FEAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H](c2ccccc2)O1 78520181 XZIPYOYPCNOKBP-YVEFUNNKSA-N 350.374 2.172 0 40 FEAB COCCNC(=O)Cn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1 72295493 IGGPWKSTHBGYOB-UHFFFAOYSA-N 371.224 2.205 0 40 FEAB CCCCOC(=O)[C@H](C)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 72303219 GGLFCOBJELVDMK-AWEZNQCLSA-N 359.426 2.013 0 40 FEAB Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 95463923 XZNXOMAHWOWOOV-UHFFFAOYSA-N 356.334 2.042 0 40 FEAB Cc1c(CC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cnn1C 551807029 FPASRTIAAGAAAC-CQSZACIVSA-N 368.359 2.365 0 40 FEAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)O)cc1 22232423 LMNZDLNDTAQAOI-UHFFFAOYSA-N 353.371 2.255 0 40 FEAB O=C1CC[C@@](C(=O)N2CCC([C@H]3CCCO3)CC2)(c2ccccc2)CN1 553223852 CWMKWJSTIUDGAS-NQIIRXRSSA-N 356.466 2.252 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 33532236 PLPTUCFGPBXWRF-UHFFFAOYSA-N 368.499 2.319 0 40 FEAB COc1ccccc1N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 32650497 CMALYARQMZKWAP-UHFFFAOYSA-N 352.442 2.315 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217658351 SWIUNTYYMDZEKN-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB O=C(c1ccc(Cl)s1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238957083 YBPKQNDUOJJYDM-GHMZBOCLSA-N 350.827 2.177 0 40 FEAB O=c1ccc(-c2ccco2)nn1CN1CCN(Cc2ccccc2)CC1 72402271 XSFLZODLIWAQBI-UHFFFAOYSA-N 350.422 2.279 0 40 FEAB CSc1ncc(Br)c(C(=O)N[C@H](CC(C)C)C(=O)O)n1 41097689 VMEBFINBKGXJAV-MRVPVSSYSA-N 362.249 2.190 0 40 FEAB COCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Br 227159430 JYGYURGRTZYNFA-NSHDSACASA-N 368.231 2.165 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cc2ccccc2Cl)CC1 40030778 AQESZTYTABOTLZ-UHFFFAOYSA-N 365.905 2.332 0 40 FEAB COc1ccc(-c2cnc(CCC(=O)N3CCN(C)CC3)o2)c(OC)c1 224870799 RTXVDVDYRWBOEQ-UHFFFAOYSA-N 359.426 2.065 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(CCOC)C2 96055955 FLXZMJZIECHXAJ-LPHOPBHVSA-N 350.459 2.003 0 40 FEAB CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(OC)cc1 96519925 CUPXCEPVBQBAEU-MNOVXSKESA-N 357.653 2.451 0 40 FEAB NC[C@H]1CC[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C1 583074415 RLZNKLJRKQHDOQ-FZMZJTMJSA-N 368.275 2.481 0 40 FEAB O=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96112908 QPUSCQYGWKKVIU-ZDUSSCGKSA-N 363.801 2.083 0 40 FEAB biogenic,in-vitro O=C(NCC[C@H]1CN(C2CCCC2)Cc2ccnn2C1)c1cccnc1 247469199 DTTTZWGVKXDREI-INIZCTEOSA-N 353.470 2.473 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516834 XDSNOFOTBQUVAA-INMHGKMJSA-N 365.838 2.309 0 40 FEAB COC(=O)C1=CC[C@@H]2[C@H](C(=O)OC)CC[C@]2(C)CC(O)=C1C(=O)OC 254075185 DUFOOXBFUWJHHD-AJLCLMPTSA-N 352.383 2.070 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3C[C@H]2C[C@H]3C=C[C@H]2C3)n1 257366811 VXOZUBGEFHHEOQ-PCMGUQPKSA-N 355.482 2.122 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cc[nH]n2)CCO1 257217710 DAGUJCXAQMOWLV-CQSZACIVSA-N 371.466 2.295 0 40 FEAB CN(C)Cc1cnn2c(C3CCN(CC4CCOCC4)CC3)ccnc12 257229815 FZONCIOKPWFOGF-UHFFFAOYSA-N 357.502 2.397 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)cc1 252518125 ABTVERDTASMAQH-CTYIDZIISA-N 363.439 2.154 0 40 FEAB C[C@@H](C(=O)OCC(=O)OCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 251974352 DADYGFHPIDQHAY-CYBMUJFWSA-N 370.357 2.192 0 40 FEAB CN([C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O 260769661 QJAGCMRDFMTUPT-SFHVURJKSA-N 358.463 2.204 0 40 FEAB C[C@H](C[S@@](C)=O)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1O 597495299 JTMBSSIXCACILS-DJNLSKAYSA-N 355.847 2.070 0 40 FEAB Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3nccnc3C)[C@H]2O)cc1 585283556 BSYJRLSXRCZZND-SZVBFZGTSA-N 355.438 2.432 0 40 FEAB C[C@@H](C(=O)NCc1ccnc(N2CCCCC2)c1)n1nnnc1C(C)(C)C 679173912 RHXIBAWIDKFLIF-AWEZNQCLSA-N 371.489 2.233 0 40 FEAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1COCCO1 55453246 TVOXABAWXIPAMN-OAHLLOKOSA-N 373.371 2.285 0 40 FEAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(CC)c1ccc(C)cc1C 55679370 TYIZPPJUKMMLGH-UHFFFAOYSA-N 351.428 2.418 0 40 FEAB CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)CC1 72398855 SDRUMQCVWAXEIX-UHFFFAOYSA-N 372.513 2.433 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc1 5151603 KTZYMUZHEIUTPZ-UHFFFAOYSA-N 359.389 2.492 0 40 FEAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NCC(C)C 5860911 DUQZTZHPDXJLGF-UHFFFAOYSA-N 362.499 2.380 0 40 FEAB Cc1nc(C)n([C@H](C)CNC(=O)[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C)n1 12195909 GSZWQJQJKWQNNB-VGTOOOLASA-N 359.405 2.150 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2C2CC2)on1 13225348 FQNWNNXKGIDPHS-UHFFFAOYSA-N 368.441 2.354 0 40 FEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC=CCC1 14158449 LNXYPMGZSLBKGD-ZDUSSCGKSA-N 368.430 2.141 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 19229465 HCWPORNPJZRLPC-YVNCXZRQSA-N 366.461 2.284 0 40 FEAB O=C(c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1)N1CCC(O)CC1 19401655 LZOFNGXTHNDYHV-HNNXBMFYSA-N 370.453 2.046 0 40 FEAB CC(C)C(=O)NCCc1nc(N[C@@H](C)c2ccccc2)ncc1C(N)=O 19697246 RLTXUXFURYNIDG-ZDUSSCGKSA-N 355.442 2.063 0 40 FEAB Cc1cc(C)nc(N2CCC(CC(=O)NC[C@@H]3CCCCN3C)CC2)n1 19748207 MNBZIIWLQZSLAU-SFHVURJKSA-N 359.518 2.300 0 40 FEAB C=CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6295855 WCVOPRQARCBBOX-POHAHGRESA-N 350.172 2.116 0 40 FEAB CNC1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc1O2 19592009 KYBXAYPESMQCNU-UHFFFAOYSA-N 352.438 2.412 0 40 FEAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888850020 QCVXGLJWECAQPD-GJZGRUSLSA-N 353.401 2.097 0 40 FEAB CCc1cc(OCC2CCN(c3ccc4nnc(C)n4n3)CC2)nnc1C 1888897259 FUDVPXIDBAJJNF-UHFFFAOYSA-N 367.457 2.389 0 40 FEAB Cn1cccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)c1=O 1889130343 DBDSNOBNGUTARI-UHFFFAOYSA-N 361.829 2.365 0 40 FEAB O=C([C@H]1CN(c2nc3c(F)cc(F)cc3s2)CCO1)N1CCCC1 1889136326 NMNDYRWHSWQDMR-GFCCVEGCSA-N 353.394 2.402 0 40 FEAB COCCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc21 24893571 DSHCWEDDIJGGTR-NSHDSACASA-N 373.486 2.369 0 40 FEAB Cc1cccc(O[C@H]2CCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 238938761 VUBUNIZRQATLDA-KRWDZBQOSA-N 369.421 2.296 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)n1 2037908944 HYHNCIKYAQWNRT-FQEVSTJZSA-N 357.454 2.323 0 40 FEAB O=c1cc2c(nn1CC1CN(c3ccc(C(F)(F)F)cn3)C1)CCC2 585604030 VEJKIJMMFYSVLY-UHFFFAOYSA-N 350.344 2.282 0 40 FEAB CN1CCN([C@@H](CNC(=O)c2ccc(F)c(F)c2)c2cccn2C)CC1 21153062 MGLJQHFGJWNFEL-SFHVURJKSA-N 362.424 2.022 0 40 FEAB CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 22466293 VKZRATRVJOEJLV-IBGZPJMESA-N 364.530 2.378 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1 225569432 FMXBURWBZJYQGN-KRWDZBQOSA-N 362.495 2.421 0 40 FEAB O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)C2CC2)CC1 43959069 FYVHTJZWZLUZLO-UHFFFAOYSA-N 362.451 2.367 0 40 FEAB C[C@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nc2c(cc1=O)CCC2 575620250 OYFZPEXOJWNOKA-LLVKDONJSA-N 367.434 2.450 0 40 FEAB CC[C@H](C)[C@@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cnnn1 604406291 DEFVEYRTGZLBEO-SGTLLEGYSA-N 368.441 2.335 0 40 FEAB biogenic O=C(NCCNC(=O)c1ccccc1F)NCCOc1ccc(F)cc1 50100073 WVEUDIRYVFJEHH-UHFFFAOYSA-N 363.364 2.073 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)c1ccccc1-n1cccn1 40116004 KJHGORVYXYMTRF-UHFFFAOYSA-N 363.421 2.034 0 40 FEAB O=C1C[C@H](c2ccccc2)N2N=C(NC(=O)c3cccc(Cl)c3)NC2=N1 2439261 YYZCMWJMBCKGSP-CQSZACIVSA-N 367.796 2.274 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 29194146 DMEMGCBIJVFUKW-GFCCVEGCSA-N 356.444 2.194 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCSCCSCCCN)cc1 1632248 BFODBZOTFXPUDX-UHFFFAOYSA-N 362.586 2.479 0 40 FEAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)C1CC1 4858818 SCQZVYZJZAYEAE-AWEZNQCLSA-N 359.455 2.194 0 40 FEAB Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1CCCO)C(=O)N2 101400453 UEOSOGHIDIVJHI-INIZCTEOSA-N 363.417 2.366 0 40 FEAB CCOC(=O)C1CCN(C(=O)C[C@H](NC(C)=O)c2cccs2)CC1 21325733 YJYHTQGMIPSAFI-AWEZNQCLSA-N 352.456 2.117 0 40 FEAB C[C@@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)ccc2O1 10298754 IPZCFSVUXSDBFR-FFCYNSPCSA-N 364.357 2.382 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C)C(C)C 2601587 WDMFVKPDPNGPPO-FJBKBRRZSA-N 354.491 2.267 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 100117265 AZYLCOQHARWZNX-GNBIQWSPSA-N 370.497 2.042 0 40 FEAB COc1cc(C)c(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C 55222190 YSPHCGOASKGYSZ-AWEZNQCLSA-N 363.435 2.430 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccc(OC(F)F)cc1 61396772 WPPKUYYCBQOPMY-UHFFFAOYSA-N 363.320 2.398 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2c[nH]nc12 24425315 JJIJTFYULWSFOW-UHFFFAOYSA-N 360.395 2.331 0 40 FEAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 44345723 LNGZHFPEVYIQDZ-LBPRGKRZSA-N 357.435 2.338 0 40 FEAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 27395706 VPHDQYKPVKFMMJ-LBPRGKRZSA-N 352.847 2.182 0 40 FEAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCC(=O)O)c12 2120786 GKEUBBOCYMKRRH-UHFFFAOYSA-N 361.394 2.414 0 40 FEAB biogenic O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl 58278212 VZLIAUBMILARRG-LLVKDONJSA-N 367.760 2.378 0 40 FEAB CN(C)c1nc(N)nc(CSc2nnc3sc4ccccc4n23)n1 10396084 VCDACHIDRADMKU-UHFFFAOYSA-N 358.456 2.070 0 40 FEAB C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cc2ccccc2o1 36394057 IDSXPLNTZBBDBQ-LLVKDONJSA-N 350.382 2.413 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2NC1=O 12790662 FENAQTJSRIRLOV-MFKMUULPSA-N 351.362 2.471 0 40 FEAB COc1cccc(CCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 48345473 LUCYACPIMBIOND-INIZCTEOSA-N 358.413 2.227 0 40 FEAB CN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(Br)o1 12887359 FGKHFFLDBBDWLK-UHFFFAOYSA-N 357.229 2.492 0 40 FEAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1 12853265 HQDKVLKKWOIEJW-UHFFFAOYSA-N 363.299 2.491 0 40 FEAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@@H]1C(=O)O 4084593 ADLQHGOSJQKJRI-XJKCOSOUSA-N 360.435 2.111 0 40 FEAB biogenic Cn1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 4163691 DJHHYKCIIJNLQI-UHFFFAOYSA-N 371.470 2.424 0 40 FEAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 5212610 ZQQKPCDGSCJFQB-ZDUSSCGKSA-N 374.824 2.490 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Br)cc1 5341707 APFWOUOXCDCRBS-UHFFFAOYSA-N 366.215 2.252 0 40 FEAB Cc1cccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1C 14198334 UZNLJWHQSIEHMY-UHFFFAOYSA-N 370.453 2.103 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccc(Cl)c2)C1=O 4789263 KBJKCJOVZPFLFQ-NSHDSACASA-N 365.817 2.108 0 40 FEAB O=C(CSc1n[nH]c2nc3ccccc3n12)NC(=O)c1cccs1 8708056 YZKQEHBONRAXHJ-UHFFFAOYSA-N 357.420 2.321 0 40 FEAB Nc1c(C(=O)NCC2CC2)nsc1C(=O)NCc1ccc(F)cc1F 67335008 RUPQPHOYNWBVDC-UHFFFAOYSA-N 366.393 2.073 0 40 FEAB O=S1(=O)CC[C@H](N(Cc2cccnc2)C(=S)NC2CCCCC2)C1 7369918 XVMZLGPQVHELEG-INIZCTEOSA-N 367.540 2.278 0 40 FEAB Cc1cc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)c2c(C)cc(=O)oc2c1 9134274 ZALVIOXCKVLTLF-CYBMUJFWSA-N 359.378 2.112 0 40 FEAB CCN(CC)CCN(CC(C)C)C(=O)Cc1nc2nc(C)cc(C)n2n1 72028991 ACXMYFIQKUIEOW-UHFFFAOYSA-N 360.506 2.110 0 40 FEAB O=S(=O)(c1ccc(CNC[C@H]2CC=CCC2)cc1)N1CCOCC1 9834599 FMPSMVFERYPTFF-INIZCTEOSA-N 350.484 2.153 0 40 FEAB C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)CCO1 95457576 WDTGOMSNTKCRCD-QWHCGFSZSA-N 353.419 2.105 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 78769044 QFMUDABRYBBOQC-INIZCTEOSA-N 370.478 2.097 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 62147244 LFXXAFCKGHRTJT-UHFFFAOYSA-N 365.407 2.300 0 40 FEAB CC1(C)[C@H](NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCO[C@H]21 539498304 DZDFYPDGMSXLDM-YDGZCJQPSA-N 374.481 2.104 0 40 FEAB O=S(=O)(CCOc1ccccc1)N1CCN(c2ccccc2F)CC1 70637690 SUBSEZSUOPAUHB-UHFFFAOYSA-N 364.442 2.357 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 72378049 PMVHNGFBNYKIMH-OAHLLOKOSA-N 368.441 2.143 0 40 FEAB Cc1c(S(=O)(=O)NCc2ccccc2-n2cccn2)cnn1C(F)F 36614611 WEMPPIXAYJEDKP-UHFFFAOYSA-N 367.381 2.251 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1 70922126 OGWHLWHNLQAFKG-UHFFFAOYSA-N 373.478 2.479 0 40 FEAB COc1ccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220078929 BYDYBOZKCRGPLD-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C)cc2)s1 225700356 MBLNPTIWACQSQB-UHFFFAOYSA-N 368.484 2.106 0 40 FEAB Cn1cc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cn1 96038268 KLRCZULQTKLGGD-UHFFFAOYSA-N 365.485 2.443 0 40 FEAB Cc1cc(Br)ccc1NC(=O)Cn1cc(C(=O)O)ccc1=O 95470247 UJARDXFVCFAYDG-UHFFFAOYSA-N 365.183 2.256 0 40 FEAB O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccc(Oc2cccc(F)c2)cn1 577593748 JMRKHMGTOCGNJL-ZDUSSCGKSA-N 364.398 2.320 0 40 FEAB CC(=O)N1C[C@H](c2ncn(C(C)C)n2)c2cc(C(=O)NC3CC3)ccc21 96267757 BDZCCNMKSDJRKD-INIZCTEOSA-N 353.426 2.250 0 40 FEAB Cn1cc(CN2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cn1 96051620 KJAAVYLZVMPMMR-SFHVURJKSA-N 374.510 2.143 0 40 FEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCn2c(nnc2C(F)(F)F)C1 95475978 KKJNJIZWDJKBSF-UHFFFAOYSA-N 362.315 2.343 0 40 FEAB COc1cccc2c1CCN(C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1)C2 583318893 NDSMWBOMIIEARS-AEFFLSMTSA-N 356.426 2.027 0 40 FEAB Cc1cccc(N2CCC3(CC2)C[C@@H](NC(=O)c2ccccn2)CO3)n1 96221088 MPTWTYPSUGSIAC-MRXNPFEDSA-N 352.438 2.343 0 40 FEAB c1cnc2ncc(CN(Cc3nccs3)[C@H]3CC34CCNCC4)n2c1 583623067 LCQAOONIHYFBOI-HNNXBMFYSA-N 354.483 2.330 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccco2)cc1 583621831 YNLYZRHYNHDGKA-RDJZCZTQSA-N 351.424 2.349 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)cs1 248139975 PWGPQCGIMRVZHU-HNNXBMFYSA-N 361.467 2.380 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)nc(C)n1 257236107 HAUFNHCRHWHKRS-QGZVFWFLSA-N 355.394 2.078 0 40 FEAB CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)c4cccs4)C3)ccnc12 257208484 BMJHRRZPLCBRTR-LBPRGKRZSA-N 369.450 2.170 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257242273 IBTLCPBSPSMNBF-LJQANCHMSA-N 352.438 2.286 0 40 FEAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)Cc3cccs3)CC2)ncn1 257270895 MWBVSCIOAQZMHL-ZDUSSCGKSA-N 358.467 2.051 0 40 FEAB CO[C@@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2 257305598 SQSMBPMUFGUTNV-MJGOQNOKSA-N 362.495 2.395 0 40 FEAB CN(C)CC(=O)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 257283046 OWOKXCLCQFNLQK-IBGZPJMESA-N 357.429 2.273 0 40 FEAB CC(C)Oc1ncccc1C(=O)N1CCS(=O)(=O)c2ccccc2C1 288426207 DEEIXSVZYAWJCA-UHFFFAOYSA-N 360.435 2.299 0 40 FEAB CCOc1ccc(CNC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1F 664013608 PEAUPBYGABNAQG-HNNXBMFYSA-N 363.433 2.378 0 40 FEAB Cc1ccccc1-n1cc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)nn1 666434878 WBHSDOSPOPZPJY-HNAYVOBHSA-N 352.442 2.177 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3cnc(-c4ccccc4)[nH]3)C[C@@H](C)O2)o1 619281741 JBNGLAXVUACFMG-IAQYHMDHSA-N 353.382 2.370 0 40 FEAB O=S(=O)(CCC1Cc2ccccc2C1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1 631956843 KEILLMTVXNFJFP-VNTMZGSJSA-N 360.523 2.051 0 40 FEAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(OC(C)C)cc1Cl 643937405 BSEORHQWCQHJEA-KRWDZBQOSA-N 354.834 2.234 0 40 FEAB Cc1ccc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)s1 585103288 APBPMUKTEPMLKF-CQSZACIVSA-N 370.540 2.119 0 40 FEAB CC(C)NC(=O)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 77546116 YCUUZCJCXVMBSX-KRWDZBQOSA-N 360.502 2.207 0 40 FEAB Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1NS(C)(=O)=O 13670276 IJMCKRWVUPMSJA-UHFFFAOYSA-N 367.515 2.362 0 40 FEAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3N3CCCN23)cc1 19168652 PIIKMQCNAYVOFR-QYZOEREBSA-N 363.417 2.231 0 40 FEAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529772 ZGZCDLPPASRPHK-QOIOWGMHSA-N 368.389 2.052 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)n1 169680636 LRWTYMVGOKIRTD-OAGGEKHMSA-N 365.433 2.247 0 40 FEAB O=C(CSC(=S)N1CCOCC1)NC(=O)Nc1ccccc1Cl 5584068 GJMZBDRZEZIJKI-UHFFFAOYSA-N 373.887 2.338 0 40 FEAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)C3CC3)CC2)n(C)n1 19562422 REIVRMHTWQSLDD-UHFFFAOYSA-N 359.499 2.343 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 4501313 CMFIRUTYTXGPOM-QMMMGPOBSA-N 367.456 2.227 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncnc4n[nH]cc24)C3)n1 1888906731 BYCCELUVFUDSDD-SCLBCKFNSA-N 351.414 2.137 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3cnn(C)c3)C2)cc1C 2037913190 YJYVAOIEBVQMAN-OAQYLSRUSA-N 371.481 2.402 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4sccc4F)C[C@@H]32)n1 2056224326 XRCNNEDTWLJSEL-HOTGVXAUSA-N 361.442 2.316 0 40 FEAB NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518709 ZYEYWYIBQOPWMR-UHFFFAOYSA-N 367.315 2.153 0 40 FEAB O=C(Cn1ccc2ccccc21)NCCn1nc(-c2cccnc2)ccc1=O 38488126 OMDVQBZPKIMIAK-UHFFFAOYSA-N 373.416 2.076 0 40 FEAB O=C(c1ccc(Br)o1)N1CCC(N2C(=O)CSC2=O)CC1 206982571 XMNCJXFGQVZTPV-UHFFFAOYSA-N 373.228 2.342 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl 85559527 IIZSBBRCECKVKN-OAHLLOKOSA-N 360.797 2.063 0 40 FEAB O=C(C1CCC(O)CC1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12072737 RNUOQBPKHVCBNG-LXPRWKDFSA-N 358.486 2.093 0 40 FEAB CCOc1ccc([C@@H](C)NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 40024183 FVNLEBXRTLVKBM-CYBMUJFWSA-N 361.442 2.373 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 40159635 YYWHOFVTGVAWMO-ZWKOTPCHSA-N 369.465 2.090 0 40 FEAB CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4076269 ONOVZUNPHDZFBJ-YZLZLFLDSA-N 362.422 2.161 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6597167 UTRNJWGNAIYSCY-AWEZNQCLSA-N 356.488 2.449 0 40 FEAB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 6953603 CJPPFKSKQPIAGW-MDWZMJQESA-N 357.753 2.410 0 40 FEAB CCc1nnc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)s1 21288974 NYSCYGKCYDLORW-SECBINFHSA-N 354.457 2.184 0 40 FEAB NC(=O)N[C@H](CC(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1F 32796969 AGKHKKBPHVQHPS-OAHLLOKOSA-N 368.372 2.145 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4snnc4C)C3)cc2n1 100138147 KEGKWUTXKQLVPP-NSHDSACASA-N 372.454 2.177 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc12 32908007 QLJALRMCYNMSOQ-UHFFFAOYSA-N 365.393 2.179 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1cccc(Cl)c1 32911698 HQAXRHJQTDUYKY-LLVKDONJSA-N 372.899 2.427 0 40 FEAB O[C@H](COCc1ccc(Cl)cc1)CN1CCN(C[C@H]2CCCO2)CC1 22038571 SVHIHORYHJCBMG-RBUKOAKNSA-N 368.905 2.014 0 40 FEAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1ccccc1F 22075282 LVEJKBOZERGZDY-HNNXBMFYSA-N 362.445 2.473 0 40 FEAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 21157345 BPXMGCNNEOTIGR-UHFFFAOYSA-N 351.366 2.480 0 40 FEAB C1=Nc2ccccc2/C1=C1/NN=C(SCCN2CCOCC2)N1C1CC1 23652678 RRJCCTNBQGFHGT-VLGSPTGOSA-N 369.494 2.475 0 40 FEAB Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c2c(C)nn(C)c2n1 24470557 XWGAPCBQLOWBCM-UHFFFAOYSA-N 358.423 2.241 0 40 FEAB CCNC(=O)N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 43580396 MZNYNQYOGUUWJS-UHFFFAOYSA-N 358.211 2.076 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NCC(=O)N1CCc2sccc2C1 55856014 LRVFIPPEGBJCTE-UHFFFAOYSA-N 354.439 2.029 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 25538739 DAKNFRFCWYGIBF-UHFFFAOYSA-N 368.412 2.201 0 40 FEAB COc1cc(OC)c(C(=O)OCC(=O)NCc2ccccc2)cc1OC 3216349 VCFJAFFTZMNSES-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB Cn1nccc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 56867481 PCTWJDDFLXSLTB-CYBMUJFWSA-N 359.405 2.120 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 35355114 LDYUEFXUMGHISE-UHFFFAOYSA-N 358.486 2.170 0 40 FEAB CCCCn1nc(C(=O)NCCCn2cnc3ccccc32)ccc1=O 57998704 IXNJMEJKYLWTSX-UHFFFAOYSA-N 353.426 2.213 0 40 FEAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1cccs1 23127774 UNCDALXBZKOZPN-HNNXBMFYSA-N 352.481 2.100 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)NCc1cccs1 10031820 IWDYBZAJSKFFTR-LLVKDONJSA-N 358.419 2.495 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)cc1 58182735 CXQWSYGFPSPODV-UHFFFAOYSA-N 372.446 2.441 0 40 FEAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(=O)(=O)CC)s1 27664396 VQYCBRYZEYGYRE-LLVKDONJSA-N 373.431 2.267 0 40 FEAB Cc1ccc(NCC(=O)NCc2cccs2)c(OCC(=O)N(C)C)c1 58278182 RECJEWBDJURQNZ-UHFFFAOYSA-N 361.467 2.252 0 40 FEAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1c[nH]c(=O)c(Cl)c1 58213480 TWOBKDGHIRTWLG-UHFFFAOYSA-N 369.204 2.425 0 40 FEAB COc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1Br 3335807 MWWZJIGTYVKQKN-UHFFFAOYSA-N 357.273 2.331 0 40 FEAB O=C(C1CCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 36394762 YXFJTAUAUWJCPH-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F 12873813 SWOFNROSJZMERZ-UHFFFAOYSA-N 367.354 2.486 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 12819777 YZCKUOKSQPEZRJ-HNNXBMFYSA-N 354.362 2.052 0 40 FEAB COC(=O)C1(NC(=O)CCCNC(=O)c2ccsc2)CCCCC1 12932360 ZPEMDMJRPHKDTH-UHFFFAOYSA-N 352.456 2.250 0 40 FEAB O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 8435941 GVZIEXMLWZBRTR-UHFFFAOYSA-N 369.446 2.286 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 14196872 SWNHHGRZNSXQOF-QGZVFWFLSA-N 351.406 2.351 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCOc2ccccc2F)cc1 14187708 XERGCEHHUDGTER-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 14121852 VCTFWGPKKDTIII-KPZWWZAWSA-N 361.467 2.134 0 40 FEAB O=C(COn1nnc2ccccc21)NCc1ccc(Cl)cc1Cl 6647687 LUSNMCUSAUJABF-UHFFFAOYSA-N 351.193 2.483 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(CC)cc3)nn2)CC1 67262132 WUQWCIFZUDLDSC-UHFFFAOYSA-N 371.441 2.180 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 7945543 OQHWTMASLZOJCP-UHFFFAOYSA-N 372.446 2.465 0 40 FEAB Cc1ccc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c(Cl)c1 9690551 PIUCMNUBJSDZOS-UHFFFAOYSA-N 370.796 2.096 0 40 FEAB O=C(Nc1ccc(F)cc1)c1nnc(CNC2(C(=O)O)CCCC2)s1 89793120 MHXRFOMNLABYFK-UHFFFAOYSA-N 364.402 2.417 0 40 FEAB CCN(C(C)=O)c1nc(CN[C@H]2CN(c3ccc(F)cc3)C2=O)cs1 96006915 KGXHLQWHDKZQKU-HNNXBMFYSA-N 362.430 2.160 0 40 FEAB C[C@H]1C(=O)NCCN1C(=O)CCSc1ccccc1Br 72096274 FVHCZFRMVKOEGZ-JTQLQIEISA-N 357.273 2.278 0 40 FEAB CCCNc1nnc(S(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)s1 72048752 BPYRZXSFJNCXTH-LLVKDONJSA-N 374.532 2.219 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCO2 9451215 ULZYGIHEWVCYFL-UHFFFAOYSA-N 372.396 2.375 0 40 FEAB COc1cccc(N2CCN(S(=O)(=O)N(C)[C@@H](C)C3CC3)C[C@@H]2C)c1 89939399 USWYROPCIKYCOZ-GJZGRUSLSA-N 367.515 2.181 0 40 FEAB CCN(CCO)C(=O)c1cc(Cl)ccc1I 97298758 KLVVFEFJKZREJT-UHFFFAOYSA-N 353.587 2.399 0 40 FEAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)N[C@H]1CCCCNC1=O 95377536 ODMQJMGSIBITPE-INIZCTEOSA-N 353.426 2.151 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408590370 GJWDUOUJYNUQAF-QAPCUYQASA-N 360.479 2.491 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC2(O)CCC(C)CC2)C1 548011105 VZBLVWNSNNENDY-SYGMWZTRSA-N 351.516 2.430 0 40 FEAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2c2ncccn2)n1 35425958 TXBUNLPPORYESW-AWEZNQCLSA-N 368.397 2.288 0 40 FEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)s1 35325895 XEGGMUJPYPCXLE-UHFFFAOYSA-N 351.497 2.001 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc3O2)c1 531749440 HQQURSRKXHAICI-RHSMWYFYSA-N 357.362 2.167 0 40 FEAB CCN(CC)CCNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C 36352547 LMGANSSLZRJBNL-UHFFFAOYSA-N 350.488 2.109 0 40 FEAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2C2CC2)on1 72340731 RPLVAPUDLDWEHY-UHFFFAOYSA-N 363.425 2.434 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1cccc(C(=O)O)c1 217684701 OJOOHJOLGXYNRB-MISXGVKJSA-N 371.422 2.239 0 40 FEAB CC(=O)Nc1ccc(Oc2cncc([C@@H]3CCCN(CCO)C3)n2)cc1 72361637 RZDWFPZFFVTYRB-OAHLLOKOSA-N 356.426 2.399 0 40 FEAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)nn1C(C)C 569543421 KUBQMWDRDWXYTE-UHFFFAOYSA-N 362.455 2.465 0 40 FEAB COC(=O)Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC)cc2)cc1 40159243 MTBRFNAGBFXKAK-CQSZACIVSA-N 357.406 2.494 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)Cc1cccs1)C2 96227010 CNYWDBXIBQYUKZ-QFBILLFUSA-N 355.463 2.241 0 40 FEAB CCCCCCN[C@@H](CC(=O)Nc1ccc(O)c(C(=O)O)c1)C(=O)O 96305829 UCSXMRWDHMJFHJ-ZDUSSCGKSA-N 352.387 2.042 0 40 FEAB C[C@@H](Nc1ccc2c(n1)CCC2=O)c1cccc(S(=O)(=O)N(C)C)c1 580504599 BFQNOFPOIQQQGJ-GFCCVEGCSA-N 359.451 2.634 0 40 FEAB COc1ccc(CN2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)cc1 96061525 IZHVRKRWQAODFG-LJQANCHMSA-N 368.481 2.409 0 40 FEAB O=C(NCc1ccccc1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96253453 UEYJOBCOIPURRQ-FGTMMUONSA-N 357.454 2.044 0 40 FEAB CCn1nc(C)c(NC(=O)c2nn(C)c(OC)c2Br)c1C 96181023 KRFNTDHJGCRHGB-UHFFFAOYSA-N 356.224 2.277 0 40 FEAB COc1cc(N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)ncn1 247872068 LMQXKTZGRGKQGM-HNNXBMFYSA-N 358.467 2.470 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(C)=O 257294870 QWARCAUSGVEAOY-QUCCMNQESA-N 360.454 2.466 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1ccc(OC)cc1 257238590 HLSFSZCQRLHRRU-MJGOQNOKSA-N 360.454 2.148 0 40 FEAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N1CCN(C[C@H](C)O)CC1 583623046 MTMAWXZFVXWMLO-BPXKWBHBSA-N 372.509 2.375 0 40 FEAB Cc1ncsc1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257304669 SMQNRHOLRDHZTK-GFCCVEGCSA-N 354.501 2.033 0 40 FEAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]21 257217883 DAZLSFFGUQONJP-FGTMMUONSA-N 351.454 2.178 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn(CCC(F)(F)F)c2)C1 644121020 YFSQYCHFXDSYIO-NEPJUHHUSA-N 357.336 2.161 0 40 FEAB c1ccc(CC[C@@]23CNC[C@H]2CN(c2nnnn2-c2ccccc2)C3)cc1 1772710521 XCOKIWFRHUBGSB-RXVVDRJESA-N 360.465 2.321 0 40 FEAB CNC(=O)c1ccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)cc1 1775957503 XYVJXZRFWLGHOX-PKOBYXMFSA-N 355.438 2.110 0 40 FEAB CC[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)c2cnccc2NC1=O 1775962053 PTJMNWJEPNWWQN-GFCCVEGCSA-N 352.394 2.066 0 40 FEAB Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C)(C(=O)O)CC3)C2)cc1 635523750 AIVXVOKJDGQSFB-KRWDZBQOSA-N 359.470 2.466 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1)c1ccccc1 390827518 ZAVDZXFUACLTHT-JLTOFOAXSA-N 368.389 2.102 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1 96096448 AEOOXVJPKNBUAO-GOSISDBHSA-N 352.390 2.428 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605294 IWWQGGOLGCGMNS-CQSZACIVSA-N 351.765 2.328 0 40 FEAB O=S(=O)(c1ccccc1)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 585112028 HIRUKQRBIDGFJL-KRWDZBQOSA-N 360.483 2.115 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC(O)CC2)C3)cc1 585104510 PMSGQFWSYCOZRY-FQEVSTJZSA-N 372.509 2.463 0 40 FEAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1COCC(=O)N1Cc1ccccc1 70641506 DKLHWYHJHNPQOH-RQJZOYDLSA-N 368.477 2.499 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccco1 5615631 CBCNTXPYMLLISP-RMKNXTFCSA-N 350.396 2.190 0 40 FEAB N=C1S/C(=C/c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1nonc1N 5728919 JPPHZSOAGCIYLE-OUDUAQFDSA-N 371.357 2.237 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[C@@H](c2cccs2)NS(=O)(=O)N1C 12129998 BTFMLJBHIORIJA-RFQIPJPRSA-N 371.528 2.117 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)N2C=C1 12205144 BBDADGHXQMSZFR-LLGFUMIMSA-N 372.513 2.334 0 40 FEAB COc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292481 VHEKMENPMSOJDA-GOSISDBHSA-N 371.433 2.441 0 40 FEAB Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)c(C)c1C(=O)NC[C@@H]1CCCO1 13144667 AUWCTYRHLWMLHQ-CALCHBBNSA-N 374.481 2.429 0 40 FEAB COc1ccccc1-c1noc(CCC(=O)N2CCC[C@@H](CN(C)C)C2)n1 19582035 SLDRBDCQBUIVLD-HNNXBMFYSA-N 372.469 2.478 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O 1795958 BGORJJLXLJKFMJ-SNVBAGLBSA-N 357.375 2.190 0 40 FEAB in-vitro C[C@@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(C)c(=O)c2S1 6529313 IPODSCKGVQAXCU-SNVBAGLBSA-N 353.513 2.358 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234278 SRSMSTMCVMXCRX-WFASDCNBSA-N 371.416 2.238 0 40 FEAB CCN1CCO[C@@H](CNCc2cccc3cc[nH]c23)[C@@H]1c1cnn(C)c1 657622366 PQIWYUVAGQWZBM-ICSRJNTNSA-N 353.470 2.453 0 40 FEAB COc1ccc(C(C)(C)C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1 560494090 XEWSNVGNCOOKIL-INIZCTEOSA-N 371.481 2.144 0 40 FEAB Cc1cc(CCC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)ccc1F 1888853658 ICJOMHITZIBGNQ-IAGOWNOFSA-N 354.429 2.452 0 40 FEAB COc1ccnc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n1 1889179503 WFIXQGBLFQZEGG-UHFFFAOYSA-N 369.400 2.251 0 40 FEAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 24053065 ATHKQYKNPICUDM-UHFFFAOYSA-N 366.874 2.258 0 40 FEAB CC(C)N1C[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)COCC1=O 2037985803 WRVVAXMZLACUSE-GOSISDBHSA-N 350.846 2.440 0 40 FEAB CC(C)N(C)CC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 1565554145 RZSXRWDUNMXDRN-HXUWFJFHSA-N 372.469 2.103 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NC1CCCC1 4327081 OFTLZVQMNMLKIS-UHFFFAOYSA-N 354.439 2.337 0 40 FEAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575613758 SWOBSRSMJGANIR-CQSZACIVSA-N 370.800 2.004 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCN(C[C@@H](O)c3cccs3)CC2)cc1 49031244 OGVAFBJJAYMMMP-QGZVFWFLSA-N 373.478 2.198 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)/C=C/c1cccnc1 24666642 IRYLUMAAAHSLAX-KBOKABMXSA-N 353.447 2.313 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 11276702 IMHVRQKSQQCMHZ-XCLFUZPHSA-N 367.405 2.415 0 40 FEAB CC(C)[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)Nc1cccc2ncccc12 51570614 WCFXFALKVQYQNG-FZKQIMNGSA-N 369.421 2.267 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccccc3F)C2=O)cc1 101417983 CGUCNCOMZOPFPP-CVEARBPZSA-N 354.341 2.328 0 40 FEAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)s1 6634207 AUFKENTWWHOYKB-UHFFFAOYSA-N 374.875 2.257 0 40 FEAB COCCCn1cnnc1SCC(=O)Nc1ccc(F)c(F)c1F 32738724 QSIFRCQWTFMKPZ-UHFFFAOYSA-N 360.361 2.463 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CC[C@H]1NC(=O)NC1=O 32747977 TXMIILJLVFXCPE-MRXNPFEDSA-N 359.470 2.248 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1F 8176805 RMPROBWNWVARJZ-MRVPVSSYSA-N 366.370 2.179 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102700596 YJBICDKQGLDXQD-VXGBXAGGSA-N 364.804 2.389 0 40 FEAB CCn1ncc(C(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)c1C 100752840 AIJRQWXUWFNVJR-BBRMVZONSA-N 350.426 2.465 0 40 FEAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 23977678 OHSSWAZGALBUJK-SFHVURJKSA-N 364.442 2.178 0 40 FEAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1 21130519 OEIZZNFVILXIGB-UHFFFAOYSA-N 350.348 2.012 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(=O)Nc3ccccc32)c1 42236076 ZIICHBUHTSQIFA-UHFFFAOYSA-N 364.810 2.342 0 40 FEAB CCc1cccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 12228903 RWIBEBZJRZZQJF-UHFFFAOYSA-N 370.453 2.049 0 40 FEAB C[C@@H]1C[C@@H](N2CCN(Cc3ccc(Br)s3)CC2)C(=O)O1 53907087 QQYSCXOTKFXHGX-ZYHUDNBSSA-N 359.289 2.332 0 40 FEAB O=C(NCCC(=O)N1CCCC1)c1cnn(Cc2ccccc2Cl)c1 23199774 ADCKZROKLKJOMH-UHFFFAOYSA-N 360.845 2.327 0 40 FEAB Cc1c(Cl)cccc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 12373974 XIFPOAUQDBOBRY-UHFFFAOYSA-N 357.801 2.244 0 40 FEAB CC(=O)N1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CC1 104705026 SFIZWYVBJHIWES-HXUWFJFHSA-N 361.461 2.384 0 40 FEAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1C[C@H]2C=C[C@H]1C2 104975146 GYZZXBYMCKYMQC-MFDLMCKQSA-N 369.446 2.446 0 40 FEAB COc1cc(C)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 23683234 WWPMTFTUFPTOOO-YVEFUNNKSA-N 350.440 2.405 0 40 FEAB Cc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)c(Cl)c1 47326826 YLUTVLSEDPNQCC-UHFFFAOYSA-N 374.876 2.382 0 40 FEAB CCc1nnsc1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24789028 QBFYJTZMRWATIS-UHFFFAOYSA-N 356.455 2.231 0 40 FEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NC(N)=O 1401195 DGXUFJLWRQVRFM-UHFFFAOYSA-N 356.766 2.126 0 40 FEAB COc1cc(F)ccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 25310448 YBGKQUHMCKEJQH-UHFFFAOYSA-N 352.387 2.053 0 40 FEAB C[C@@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(C)(=O)=O 58413586 UOKZMLKRSKANKR-ZDUSSCGKSA-N 357.435 2.075 0 40 FEAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 28319824 RAPPXMOFNXRUQE-VIFPVBQESA-N 353.469 2.388 0 40 FEAB Cc1c(NC(=S)NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C 2377167 MZVRDIYFETVKPC-UHFFFAOYSA-N 367.434 2.006 0 40 FEAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c2ccccc12 408548331 GLDUDLMAUXCTNB-XNTDXEJSSA-N 354.362 2.304 0 40 FEAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 12737626 ZLHKAOGIKILWQY-KBPBESRZSA-N 367.515 2.396 0 40 FEAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)cc1 12758588 HLIIMUPYQSBRAW-KRWDZBQOSA-N 373.840 2.051 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Br 3408006 LJVJSBNHQVCYLP-UHFFFAOYSA-N 360.185 2.219 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2cccc(C)c2O)cc1OC 3458058 QXAPZQCBCQAUQZ-UHFFFAOYSA-N 373.405 2.234 0 40 FEAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NC(=O)NCc1ccco1 3457437 DDFXPFNFMYBTCH-UHFFFAOYSA-N 369.377 2.263 0 40 FEAB CN(CCOc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12950726 NYMMRHCVWQGDNF-UHFFFAOYSA-N 363.417 2.494 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccc(F)cc2)n1 12971327 WSLAXJKCBPRLHO-LLVKDONJSA-N 369.356 2.450 0 40 FEAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(F)F 4159235 XCYWIAFMVIWBEV-CYBMUJFWSA-N 356.325 2.106 0 40 FEAB O=C(CNC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(F)c(F)c1 13638389 NZXJKNYNMIGDEB-UHFFFAOYSA-N 357.316 2.175 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 6237079 QHFJTNCHKKTNGJ-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB O=C(COc1ccc(N2CCCC2=O)cc1)N=c1[nH]c2ccccc2[nH]1 17304376 YGPANNVRCRPIIF-UHFFFAOYSA-N 350.378 2.129 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592936 ZHLKGWXHGCRPRT-ILMPWQCYSA-N 368.433 2.131 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 4682206 MFWZQFYPBFMKQJ-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2ccccc2)c1=O)CCCC3 6760595 JYUBVGQCYBPTGB-UHFFFAOYSA-N 369.446 2.279 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 18149385 ZTCZMTZTNIWLDZ-CYBMUJFWSA-N 357.410 2.485 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 9364088 QEIVHGJESYYXHS-GWCFXTLKSA-N 350.440 2.437 0 40 FEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCc2ccccc21 9885455 POUVCSZTGHSNJG-UHFFFAOYSA-N 366.446 2.301 0 40 FEAB CN[C@@H]1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc(F)cc2)C1 97228884 BNLXHJGFUWAKGF-OAHLLOKOSA-N 353.401 2.302 0 40 FEAB Cc1oc(CN(C)C(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)cc1C(=O)O 95425063 YHRTZHCTFDISEN-CYBMUJFWSA-N 350.415 2.139 0 40 FEAB O=C(c1ccco1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999155 XDQIGJCAAFOXQU-HNNXBMFYSA-N 360.435 2.277 0 40 FEAB NC(=O)CN1CCC(N[C@@H](c2cccnc2)c2cc3ccccc3o2)CC1 95996251 JBRQROBROSIFLL-NRFANRHFSA-N 364.449 2.457 0 40 FEAB CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 9908599 YNGXLBVISTVBHV-UHFFFAOYSA-N 368.480 2.478 0 40 FEAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CC[C@@H](C)O 75092849 QOKUZFRELZRPRF-ZBFHGGJFSA-N 352.500 2.076 0 40 FEAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCN(C)CC2)o1 21659763 ONMCFRGTFWIWPT-SFHVURJKSA-N 357.454 2.072 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC)cc2)CC1 32912691 APNLNRMJKBXKJK-UHFFFAOYSA-N 355.460 2.021 0 40 FEAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Br)c1OC 409029925 DCSMTEPXPIVZLG-POHAHGRESA-N 371.256 2.496 0 40 FEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 216007831 XBRXSCVYMVJDQZ-TUVASFSCSA-N 368.524 2.454 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)NCCOc1ccc(F)cc1 32369543 JBKVHQLVNOSSIH-UHFFFAOYSA-N 352.387 2.006 0 40 FEAB COc1cc(/C=C2\CC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O 71282714 CBZUDMNCNFCTGN-WUXMJOGZSA-N 353.330 2.476 0 40 FEAB Cc1cccc(CN2CCN(C(=O)c3c(C)oc4nc[nH]c(=O)c34)CC2)c1 39983752 XRGRBJKTLJQXJA-UHFFFAOYSA-N 366.421 2.091 0 40 FEAB CCN1CCN(C(=O)c2ccc(C)cc2I)CC1 225019527 IQGJIFZOGIDDNR-UHFFFAOYSA-N 358.223 2.377 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1 47080922 KFERPHINSBNQRM-ZDUSSCGKSA-N 358.419 2.416 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223563796 LEDMFKNZNVBKGP-ROUUACIJSA-N 365.462 2.232 0 40 FEAB CN(C)C(=O)n1c(C(=O)NC(C)(C)CO)cc2c1c1ccccc1n2C 96264177 XRBOUFJKVNAYIR-UHFFFAOYSA-N 356.426 2.163 0 40 FEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 248163498 YTUJYVFPXVGGAD-HNNXBMFYSA-N 360.454 2.031 0 40 FEAB Cc1noc([C@H](NC(=O)c2ccc3cnc(C)n3c2)C2CCOCC2)n1 585081223 PUVQJGDLYALPRU-MRXNPFEDSA-N 355.398 2.232 0 40 FEAB C[C@H]1[C@H](C)CC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ncc[nH]1 585138646 XLRWWZWBCMFLAA-FRRDWIJNSA-N 372.491 2.112 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CN2CCC(C)CC2)ccn1 257330731 XPRCAFJEVFBERD-IBGZPJMESA-N 358.486 2.113 0 40 FEAB C[C@@H](NC(=O)CSCc1cccnc1)[C@@H](C)C(=O)Nc1ncccc1O 590367715 KQGYKYFOBDYDGW-CHWSQXEVSA-N 374.466 2.195 0 40 FEAB COc1ccc2[nH]c(C(=O)NC3CCN(c4ccncc4)CC3)cc2n1 1151624891 CNNWWPTVMMVHNM-UHFFFAOYSA-N 351.410 2.365 0 40 FEAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[C@@H]1CCCO[C@H]1c1cc[nH]n1 644604867 YLSMVLSZWLTZAD-BHYGNILZSA-N 354.410 2.041 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605292 IWWQGGOLGCGMNS-AWEZNQCLSA-N 351.765 2.328 0 40 FEAB O=C(C1CC(F)C1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 585103451 PCUITMSVKRYQBJ-PCKAHOCUSA-N 363.433 2.249 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cc1 19211380 NMMLJLXECALSHG-UHFFFAOYSA-N 359.403 2.436 0 40 FEAB C[C@H](CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 19455327 STXWLTPUALOHSZ-CRAIPNDOSA-N 368.485 2.366 0 40 FEAB CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCN(CCOC)CC1 516695708 FCLCNEIAJWGFKN-UHFFFAOYSA-N 364.877 2.344 0 40 FEAB COCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19589424 ZURQUYBNWBRILV-HXUWFJFHSA-N 366.461 2.459 0 40 FEAB CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 6124639 RDDDMNAYFFGZSW-UHFFFAOYSA-N 362.433 2.379 0 40 FEAB Cn1cnn(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1=S 25490985 XMZMFIQGUDXTAS-UHFFFAOYSA-N 357.439 2.113 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1CC(F)(F)F 27066243 QDHNLVDSSQDXBW-UHFFFAOYSA-N 367.375 2.420 0 40 FEAB O=C(/C=C/c1cccs1)NCCN1Cc2cc(F)ccc2OCC1=O 253475176 PLMFFJOEWJECCI-GQCTYLIASA-N 360.410 2.438 0 40 FEAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@@H]2C1 1565552154 PNBHRTPOXJPHII-JKSUJKDBSA-N 364.392 2.031 0 40 FEAB O=C(c1ccno1)N(CCN1CCOCC1)c1nc2ccccc2s1 12443847 ILZFSBOBKMDBMI-UHFFFAOYSA-N 358.423 2.263 0 40 FEAB O=S(=O)(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1ccccc1 2055738634 FPYWALLZQBTSON-CQSZACIVSA-N 361.467 2.106 0 40 FEAB CC(C)Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 20169824 YGOKJMBYSWULOE-UHFFFAOYSA-N 350.444 2.145 0 40 FEAB COC(=O)c1ccc(OCC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 7897405 DQIWPFJNKGJQJJ-UHFFFAOYSA-N 371.389 2.282 0 40 FEAB Cc1ccn2ncc(C(=O)NCc3ccc(CN4CCCC4=O)cc3)c2n1 68672511 FBLGJUWEERNGKH-UHFFFAOYSA-N 363.421 2.090 0 40 FEAB O=C(N[C@@H](C(=O)O)[C@H](O)c1ccccc1)c1ccc(Br)cc1 3172748 SAORHZONDSOATJ-ZIAGYGMSSA-N 364.195 2.366 0 40 FEAB CCCCn1c(SCC(N)=O)nnc1-c1ccc(OC)c(OC)c1 4161313 QHUGMRAPUDFWLR-UHFFFAOYSA-N 350.444 2.340 0 40 FEAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1OC 101269854 MBVDMQVQRWWGMV-QAPCUYQASA-N 366.373 2.305 0 40 FEAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7587634 QQQJSLJRXQWNIR-CQSZACIVSA-N 373.478 2.327 0 40 FEAB O=C1COc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)ccc2N1 11761531 FVQSPEYYKBOMDV-UHFFFAOYSA-N 350.378 2.256 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1 102175652 WAWPNKYSNKVMCL-UHFFFAOYSA-N 369.446 2.339 0 40 FEAB CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186648 COZUFLOYBXVAFN-CBGDNZLLSA-N 373.449 2.495 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100570984 LIZZRYDXAJTWFA-YESZJQIVSA-N 354.406 2.051 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CC=CCC2)cc1 32830042 RDGBXBGSHLFCOB-CQSZACIVSA-N 353.440 2.215 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 32904821 VZWZPKYZBDGDCC-AWEZNQCLSA-N 354.472 2.062 0 40 FEAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1nnc2ccccn12 52758390 ASEPCGGXZDGYDY-LBPRGKRZSA-N 370.434 2.470 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085611 NJSSMZVQWVNTKC-KNASVOLHSA-N 366.417 2.075 0 40 FEAB COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1N1CCOC1=O 103798594 KUHJQQPERUOLRU-QMMBQJITSA-N 372.377 2.113 0 40 FEAB COCCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1 12406070 PFMBSYFTZZMNQL-UHFFFAOYSA-N 356.378 2.102 0 40 FEAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@@H]1c1nnc2n1CCCCC2 47404769 DMGUVINJCVFHCP-OAHLLOKOSA-N 371.485 2.418 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(C)s1 23462856 CPVXFGNOYDJJJG-UHFFFAOYSA-N 356.455 2.004 0 40 FEAB Cc1cc(N2CCN(C(=O)NCCc3nccs3)CC2)nc(C(C)C)n1 51339673 QMZJQDLEPDDFBL-UHFFFAOYSA-N 374.514 2.439 0 40 FEAB CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 100102712 YHSLGTJWHCAKKW-GHMZBOCLSA-N 370.540 2.398 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23690009 PQHFUIVDNCHRGB-INIZCTEOSA-N 364.401 2.392 0 40 FEAB O=C1CCCN1C[C@H](NS(=O)(=O)c1ccccc1F)c1ccccc1 56076073 JWGDWQMHGBZTDH-INIZCTEOSA-N 362.426 2.468 0 40 FEAB COc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCC3)cc1OC 25768581 KWAXXDJAUXYEFS-UHFFFAOYSA-N 361.423 2.018 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 35380412 SLESAYJJIBPLHT-KXBFYZLASA-N 351.450 2.461 0 40 FEAB NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)COc2cccc(F)c2)c1 57260477 YWXFMQBPUVEFNK-SFHVURJKSA-N 371.412 2.293 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1Cl 58133431 GBAPJLSAMCWBAT-ZDUSSCGKSA-N 354.790 2.084 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(-n2ccnc2)cc1 58174407 MAMVRPKKFRWGCU-UHFFFAOYSA-N 362.389 2.487 0 40 FEAB O=C(Nc1ncccc1O)[C@@H]1CCC[C@@H](C(=O)Nc2ncccc2O)C1 58401972 IKKHAYJDLDGKNA-VXGBXAGGSA-N 356.382 2.271 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)CC1 408609432 SXRHSRDZCFJGIG-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 10837879 GHLLNTNLTIIICN-VIFPVBQESA-N 369.443 2.042 0 40 FEAB Cc1cc(N2CCN(CC(=O)NCc3ccccc3)CC2)nc(C(C)C)n1 12870318 PPYXHGVNQGXBJL-UHFFFAOYSA-N 367.497 2.347 0 40 FEAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1 70040693 QHYJDXNZIYVADY-UHFFFAOYSA-N 360.410 2.133 0 40 FEAB CSc1nccn1-c1ccc(C(=O)NCCNc2cnccn2)cc1 69325185 NOAMWNAOQITBFL-UHFFFAOYSA-N 354.439 2.226 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1[nH]nnc1Nc1ccc(F)cc1 38487162 QPGGGTXZLRYGPC-UHFFFAOYSA-N 355.329 2.346 0 40 FEAB CCCCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 4023582 YOPJWEHYUXRVBZ-UHFFFAOYSA-N 364.442 2.357 0 40 FEAB biogenic O=C(Cn1cnc2ccccc2c1=O)NCCSCc1ccccc1 6086995 YIHWDWGFTRCWPF-UHFFFAOYSA-N 353.447 2.446 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218813 SXJYYCDYRBYVQJ-ZMZPIMSZSA-N 365.380 2.133 0 40 FEAB CN1C(=O)C[C@H](NC(=O)CC2(O)CCCC2)[C@H]1c1ccc(Cl)cc1 91771442 IHZHQONSSDWWOF-WMLDXEAASA-N 350.846 2.423 0 40 FEAB COc1ccccc1C1=NO[C@H](CN2C(=O)c3ccccc3S2(=O)=O)C1 5353869 ROIHCWDGULWXSE-LBPRGKRZSA-N 372.402 2.033 0 40 FEAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14182387 XVTVNVQYGKWBKO-CYBMUJFWSA-N 369.396 2.439 0 40 FEAB CCCN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 14141673 HHXVNTBMWPKAIA-AWEZNQCLSA-N 366.512 2.464 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 4513510 LPWXPNFLEZZBKX-UHFFFAOYSA-N 357.454 2.236 0 40 FEAB O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1 66340989 VUHFNLZLCUQVPD-CYBMUJFWSA-N 368.275 2.317 0 40 FEAB COc1cc(C(=O)NCc2ccc3c(c2)OCCO3)cc2c1OCCO2 17860219 OCZYUAOFLWGSCW-UHFFFAOYSA-N 357.362 2.168 0 40 FEAB Cc1cc(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)n1C1CC1 7143468 ATLMGYARPVBAPG-UHFFFAOYSA-N 364.409 2.075 0 40 FEAB O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@H](O)C2)CC1 80211770 PGHQLYGNRPAHKJ-LBPRGKRZSA-N 356.875 2.237 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021920 IXTCTVMNUPUTKN-MFCZKXCZSA-N 373.428 2.002 0 40 FEAB Cc1nn(Cn2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)n2)c(C)c1Cl 28576280 XPMOHXRDCQSEJB-GHMZBOCLSA-N 351.838 2.105 0 40 FEAB CCN1C[C@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccccc21 7726477 MUGYVIKDHJIPEP-AWEZNQCLSA-N 365.455 2.199 0 40 FEAB CCc1nn(C)cc1CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 93119472 LSJJLJVNSNWMLA-OAHLLOKOSA-N 355.486 2.229 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)o1 96005106 FWOSAWQIOKREHS-OAHLLOKOSA-N 363.439 2.338 0 40 FEAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccn(-c2ccccc2)n1 84170070 ZYTUVXCBEPVXBB-OAHLLOKOSA-N 358.467 2.302 0 40 FEAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 84102245 UNYCXXXSLPQXQW-GDBMZVCRSA-N 370.453 2.209 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccn(CCc2ccccn2)n1 72277317 LCKKCOYPXBIVIP-AWEZNQCLSA-N 355.442 2.154 0 40 FEAB O=C(NCc1cccnc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72403766 NCSQDCVIFHKXLW-UHFFFAOYSA-N 371.400 2.165 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCC(C)(CN3CCOCC3)CC2)c1 95441790 LDZLZAXWZATPJV-UHFFFAOYSA-N 360.454 2.048 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccn(Cc2cccnc2)n1 75110232 QZNKQBZUXHHCSN-UHFFFAOYSA-N 353.426 2.272 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(CC4CC4)C[C@@H]2C3)cc1 306132416 LIBCCSOTGPGYFE-GJZGRUSLSA-N 367.453 2.053 0 40 FEAB O=S(=O)(c1cnc2ccsc2c1)N1CC2(CCC2)[C@@H]2COC[C@H]21 514848791 PQDWAMNQUKIVGG-TZMCWYRMSA-N 350.465 2.486 0 40 FEAB CC1(C)CC(NC(=O)CC2(Cn3cnnn3)CCCCC2)CC(C)(C)N1 524732408 ZUTRWIWSHBTAHT-UHFFFAOYSA-N 362.522 2.439 0 40 FEAB Cc1cc(N2CC[C@H](NC(=O)N(C3CC3)[C@@H](C)c3ccco3)C2=O)n(C)n1 122875822 GQZQZFRKODEJJA-ZFWWWQNUSA-N 371.441 2.362 0 40 FEAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 408706132 VTACLZDEASSIOH-UHFFFAOYSA-N 362.407 2.210 0 40 FEAB Cc1nn(C)cc1-c1cc(C(=O)O)n2nc(C)c(Br)c2n1 36615740 IRDLJBFQXGTXHU-UHFFFAOYSA-N 350.176 2.207 0 40 FEAB O=C(c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1)N1CCCCC1 72328369 NUUYLRNXKYQHCF-UHFFFAOYSA-N 369.446 2.426 0 40 FEAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N1CCc2ccccc2C1 23125964 PXZQGRDLTIRVBG-UHFFFAOYSA-N 358.401 2.463 0 40 FEAB COC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1C(=O)OC(C)(C)C 32919524 BPYVRAWLYXUOPH-GJZGRUSLSA-N 352.406 2.466 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)n2)c(C)c1 32931677 IROGUVSJSUUFQP-MRXNPFEDSA-N 371.485 2.425 0 40 FEAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217581640 ZPFZZZUSVBVTGM-LBPRGKRZSA-N 370.471 2.443 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1 70459547 XGTVKYLLIXRYIJ-CQSZACIVSA-N 350.415 2.001 0 40 FEAB O=C(CO)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96079865 JBORAFGJOGXXAK-KRWDZBQOSA-N 356.422 2.247 0 40 FEAB COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1cccnc1 96044540 HPVFHRRSWKFIRU-LJQANCHMSA-N 356.470 2.451 0 40 FEAB CO[C@@H]1COC[C@@H]1NC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C 333064746 AAJLTPDCHVTWNK-NZVBXONLSA-N 369.259 2.319 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1snnc1C)CC2 584237251 QXZUCLOIZGQWJB-CYBMUJFWSA-N 363.439 2.438 0 40 FEAB Cc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1S(N)(=O)=O 245237009 AYDQVYFUEGEDBR-GJZGRUSLSA-N 365.499 2.093 0 40 FEAB COc1cc(N2CC3(C[C@H](CCOCc4ccccn4)CCO3)C2)ncn1 247892256 NESJGKUWZKZNHN-MRXNPFEDSA-N 370.453 2.473 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230805 ZGZCDLPPASRPHK-UIVXKWKOSA-N 368.389 2.052 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)C1 257220765 DMBKLNAFVBTZGA-CYBMUJFWSA-N 352.442 2.281 0 40 FEAB O=C(O[C@@H]1CO[C@@H]2[C@H](OC(=O)[C@@H]3CC=CCC3)CO[C@H]12)[C@@H]1CC=CCC1 255188787 LPDKIQIMYPFJJX-TYENPDHQSA-N 362.422 2.320 0 40 FEAB CO[C@H](C)c1nc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cs1 269878673 JVAXUQOCZKJCOH-CHWSQXEVSA-N 364.475 2.064 0 40 FEAB COC(=O)C1=CC[C@@H]2[C@H](C(=O)OC)CC[C@@]2(C)CC(O)=C1C(=O)OC 263595630 DUFOOXBFUWJHHD-QAMHXRKUSA-N 352.383 2.070 0 40 FEAB CC(C)NC(=O)Cc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cc1 608766820 QOYHTQWRPZWJLU-BRSBDYLESA-N 357.454 2.395 0 40 FEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)CC1CCCC1 1138869162 OJINYYKDNDNJDY-ZIAGYGMSSA-N 358.504 2.354 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@@H]1c1ccccc1 653674880 ZKFHBCIYBRUFEV-JFIYKMOQSA-N 355.365 2.456 0 40 FEAB COc1ccc(CC(=O)NC[C@]2(O)CCc3ccccc3C2)cc1OC 90611476 CMTVYFKDLGJTOF-NRFANRHFSA-N 355.434 2.283 0 40 FEAB C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(C)c3ccccc32)CS1(=O)=O 665056243 SQRHZVPZTPGPTP-IIAWOOMASA-N 365.499 2.223 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406089 VLTNXVSMBYUQMR-WMZOPIPTSA-N 366.417 2.224 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@@H]1C)C2 585106580 BXFGOWLIBMCFLK-GCKMJXCFSA-N 366.465 2.422 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)CCn3ccc(C)n3)C2)c1 585272859 RTYYUTRLKPKICY-HXUWFJFHSA-N 357.454 2.323 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1COc1cnccn1 585097451 LVGSUZNNOGWEDM-HNNXBMFYSA-N 353.382 2.068 0 40 FEAB O=C(NCC1CCN(C2CC2)CC1)c1nc(N2CCCC2)ncc1Cl 683577447 QJLRKSBHZGUPMH-UHFFFAOYSA-N 363.893 2.334 0 40 FEAB CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc2c[nH]nc12 1623846151 WTMNRSFVHQFRCP-AWEZNQCLSA-N 359.430 2.053 0 40 FEAB Cc1cc(Br)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1 113974594 GGNQLIJIWHTAOI-UHFFFAOYSA-N 351.200 2.489 0 40 FEAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCO2 12366110 LPROWAMXEARDRD-QGZVFWFLSA-N 368.433 2.309 0 40 FEAB COc1ccc(-c2noc(C(=O)NCc3c(C)noc3C)n2)cc1OC 12408659 VXUWYSPOVAWXTA-UHFFFAOYSA-N 358.354 2.289 0 40 FEAB CCOc1cc2c(cc1CN1CC[C@@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 19532429 VIQMGZUTPQLLEN-CYBMUJFWSA-N 357.410 2.195 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3OC)ccc21 19936836 LDQUEBPIZJZVIV-UHFFFAOYSA-N 362.407 2.102 0 40 FEAB CCn1nnc(NC(=O)/C=C/c2cc(Br)ccc2OC)n1 6356717 CAGLXEPKULPICF-QPJJXVBHSA-N 352.192 2.116 0 40 FEAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](Oc2ccncc2Cl)C1 575608501 YRKHRJNZGNECRR-SECBINFHSA-N 358.769 2.470 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)Cc2cccnc2)C3)nc1 1888867035 AZZPKBIHVGWNOB-PXNSSMCTSA-N 352.438 2.430 0 40 FEAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)cn1 1888897373 URUJJUJFPMJFCB-HDICACEKSA-N 374.448 2.086 0 40 FEAB COc1cnc(OC2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1 1185465154 GQXLQLIDVMTPGI-UHFFFAOYSA-N 360.389 2.377 0 40 FEAB Cc1cnccc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984621 HLTFRUFZWMKXDQ-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(C2CCOCC2)CC1 252533175 GDQSTHZIIVPPGP-DUXPYHPUSA-N 372.465 2.436 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)ccc1=O 8954842 FKBNEVMOUCWESR-UHFFFAOYSA-N 357.410 2.470 0 40 FEAB CCCc1cnc2c(c1SCc1cccnc1)c(=O)n(C)c(=O)n2C 10216820 DWPSIVBCXIMUOB-UHFFFAOYSA-N 356.451 2.272 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCc2cccs2)cc1N1CCCC1=O 10220982 ZZVVKTKPMQBYQO-UHFFFAOYSA-N 357.435 2.438 0 40 FEAB O=C(Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1)N1CCOCC1 13848954 IQXUOQOTACZFGP-UHFFFAOYSA-N 366.483 2.162 0 40 FEAB C[C@@]1(C(=O)N2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)CC=CCC1 2055714477 BSYUZXLHXVJJON-QTQZEZTPSA-N 369.465 2.488 0 40 FEAB Cn1nnnc1SCC(=O)Nc1ccccc1-c1cn2ccccc2n1 206898474 XPVYBUWSCFYVNO-UHFFFAOYSA-N 365.422 2.256 0 40 FEAB COc1ccccc1NC(=O)CN1CCN(c2ccc(C3CC3)nn2)CC1 575621039 USKCGJZPKZKCOQ-UHFFFAOYSA-N 367.453 2.123 0 40 FEAB O=C(N/C(=C/c1ccc(O)cc1)C(=O)N1CCOCC1)c1ccccc1 100734869 GZCVWFANHLOMNU-NBVRZTHBSA-N 352.390 2.022 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061855 ZBLBLPZTBNNMJH-LBPRGKRZSA-N 372.874 2.033 0 40 FEAB O=C(Nc1ccccc1N1CCCC1)N1CCN(c2cnccn2)CC1 40103752 KZDAAGZULSBCSV-UHFFFAOYSA-N 352.442 2.431 0 40 FEAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 30531369 ZVSRPZPSYFGRFY-INIZCTEOSA-N 367.405 2.103 0 40 FEAB O=C(c1ccc(O)nn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2448982 DBCWFBCCHGWQEQ-UHFFFAOYSA-N 352.316 2.163 0 40 FEAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3ccccc3)sc2n1 7363419 BGXBWGDHZTUPBZ-UHFFFAOYSA-N 357.391 2.166 0 40 FEAB NC(=O)NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 2652285 CWYDFSZTRGTUQD-UHFFFAOYSA-N 355.375 2.315 0 40 FEAB Cc1csc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)n1 20726823 CJAIJCDMUQJMAX-UHFFFAOYSA-N 357.443 2.053 0 40 FEAB Cc1csc(NC(=O)CCCNC(=O)[C@H]2COc3ccccc3O2)n1 20733539 RXPFTUUJYSEUIV-CQSZACIVSA-N 361.423 2.126 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccccc1F)c1nccn1C 17522173 YNFMGNFWTSLAPR-CQSZACIVSA-N 364.402 2.232 0 40 FEAB COc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 6949642 YGMRPTLCLGUKFZ-KPKJPENVSA-N 370.321 2.313 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 100604553 ABCMHGZYYZULNK-WBOJAVRRSA-N 366.483 2.155 0 40 FEAB COc1ccc([C@H](CNc2ccc3nnnn3n2)N2CCCCC2)cc1 32871800 AUOGWWHHSCMHEM-INIZCTEOSA-N 353.430 2.167 0 40 FEAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2o1 32901882 KZGDOPIDVZISSN-UHFFFAOYSA-N 359.407 2.355 0 40 FEAB COc1cc(NC(=O)c2ccc(CNC(N)=O)cc2)cc(OC)c1OC 21705522 YLZIZSXZLINBJW-UHFFFAOYSA-N 359.382 2.133 0 40 FEAB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1 631210 CMGSGIXVLLKXTA-UHFFFAOYSA-N 362.389 2.125 0 40 FEAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 101375457 ARIRVMSWRDGEGN-AKLWZKPOSA-N 371.433 2.491 0 40 FEAB CC(C)(CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)N1CCOCC1 22618256 SVNWVVPWJFBYTO-SFHVURJKSA-N 362.470 2.085 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)C3CC3)CC2)c1 47059444 JOTGULWSSYCRNU-ZDUSSCGKSA-N 360.454 2.471 0 40 FEAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24031659 ITZRDNFCONIHSB-UHFFFAOYSA-N 362.433 2.456 0 40 FEAB COc1cc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccn1 24433627 HYSGIJPGJUVAIT-UHFFFAOYSA-N 362.329 2.467 0 40 FEAB C[C@H](O)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccn2)CC1 24763817 NWRZQEQWKXBYGD-HOTGVXAUSA-N 354.454 2.284 0 40 FEAB O=C(Nc1ccc(Cl)cn1)c1ccc(S(=O)(=O)N2CCCC2)o1 24905852 HUILXDULKSOACY-UHFFFAOYSA-N 355.803 2.365 0 40 FEAB S=C(NCCN1CCOCC1)NN(Cc1ccccc1)c1ccccc1 25315032 JXPRDCKIHVBVHS-UHFFFAOYSA-N 370.522 2.405 0 40 FEAB CCCNC(=O)CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 57322866 PXPZBOWFVXUAEZ-UHFFFAOYSA-N 373.526 2.218 0 40 FEAB CCOC(=O)C(NC(C)=O)(C(=O)OCC)[C@H](C)c1c[nH]c2ccccc12 2024443 VXEBNJANHLTKAY-GFCCVEGCSA-N 360.410 2.273 0 40 FEAB biogenic COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 7676010 ILPXLNIKYRXONX-LLVKDONJSA-N 367.361 2.116 0 40 FEAB CCCCc1nc(-c2cccc(OCc3nc(N)nc(N(C)C)n3)c2)no1 58208861 MDRRJWMZSWQCSI-UHFFFAOYSA-N 369.429 2.491 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 28254599 FPQZTKHCHYLMNK-UHFFFAOYSA-N 368.484 2.138 0 40 FEAB COc1cccc(CNC(=O)CN2C(=O)CCOc3ccccc32)c1OC 58688893 OPUYYHODBVRPKB-UHFFFAOYSA-N 370.405 2.136 0 40 FEAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O)c1ccccc1F 2321243 XQYVOLNWZPSTGZ-MRXNPFEDSA-N 365.286 2.391 0 40 FEAB O=C(O)CCCNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 2327141 NLVHNINPDDUFGR-UHFFFAOYSA-N 371.437 2.184 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(Cn2cnc3ccccc32)CC1 16082204 ATUQKFOEVSRQKL-UHFFFAOYSA-N 356.451 2.000 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16025031 GFOJAQICYFSWDZ-NXVBXIDHSA-N 369.465 2.252 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 4073277 NDCKGNPLTQBZIY-XOBRGWDASA-N 357.406 2.195 0 40 FEAB biogenic CCCCOCCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4046533 MXEYBDKXCXKMSV-LPHOPBHVSA-N 374.437 2.170 0 40 FEAB biogenic O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccccn1 8023794 HTOULIXTDFHNJF-SFHVURJKSA-N 367.430 2.422 0 40 FEAB C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N1CCc2ccccc21 4538193 HURRISSABCJGSW-NSHDSACASA-N 355.423 2.322 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 14264766 ONHTYEQFSWPKJC-UHFFFAOYSA-N 373.453 2.154 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 14246328 UKNQRFAENUEKTC-UHFFFAOYSA-N 371.441 2.019 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1CCCCCC1)CC2 14731075 LJRRNKBZJDHTLA-UHFFFAOYSA-N 354.472 2.183 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(O)cc2)c1 5859261 MOHSEBPDTIEGDC-UHFFFAOYSA-N 351.453 2.451 0 40 FEAB Cc1cccc2c1N(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CCC2 8747424 PMLZXGKMZAIPBX-UHFFFAOYSA-N 359.451 2.034 0 40 FEAB Cc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18244423 AVCGWPDFSGYIHB-AWEZNQCLSA-N 350.802 2.077 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(SC)cc1)n2CCOC 9319074 MPXSWISTMLMBRI-UHFFFAOYSA-N 374.466 2.332 0 40 FEAB Cc1cccc2c1ccn2CCNC(=O)C1(n2cnnn2)CCCCC1 72402506 VWVPXCKIXYZTCN-UHFFFAOYSA-N 352.442 2.412 0 40 FEAB Cc1nc(CCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cs1 22761715 ZJGVHXRGAPJNDH-UHFFFAOYSA-N 365.842 2.189 0 40 FEAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnn(-c2ccccc2)n1 95454841 ZVEHSPUNCQPORI-ZDUSSCGKSA-N 352.402 2.078 0 40 FEAB Cc1cnc(OC2CCN(S(=O)(=O)CCc3ccccc3)CC2)nc1 655640628 ZLOOJIZCGSBQEC-UHFFFAOYSA-N 361.467 2.201 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1 31903928 FYSJQBMSGWOOMV-UHFFFAOYSA-N 355.456 2.276 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc(F)c2)C1(CO)CO 218551077 NVHUUZYOMJIOAM-HOTGVXAUSA-N 370.829 2.390 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NC)ccc2OC)cc1 223638317 XMNBDYTXZXYYFL-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220670 SJMJYSCCAXJYQK-OAHLLOKOSA-N 350.484 2.213 0 40 FEAB CN(Cc1ccco1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]2CCCO[C@@H]21 96057159 JIEKDMODEBDULP-UHOSZYNNSA-N 362.470 2.144 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 96107535 WJNGRPYCBNPMRK-KXBFYZLASA-N 354.410 2.023 0 40 FEAB Cc1cc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c(C)o1 96227003 YMSRPPNMUDQHND-YLJYHZDGSA-N 353.422 2.460 0 40 FEAB Cc1cnc(N2CC[C@H]3[C@@H](CC2)OCCN3Cc2csc(C)n2)nc1 96249408 DRNQKIVIWPDGCW-DLBZAZTESA-N 359.499 2.420 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 247891033 YMFGYPKWYACBDS-IBGZPJMESA-N 355.438 2.237 0 40 FEAB COc1ccccc1OCC(=O)N1CC2(CC[C@@H](CN3CCCC3)CO2)C1 247920666 OATBPHQOOWPKOB-KRWDZBQOSA-N 374.481 2.177 0 40 FEAB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC[C@H]1CCOC1)CC2 583615458 KSNCVSOQNWYJEX-CABCVRRESA-N 364.515 2.176 0 40 FEAB CNc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CN(C)CC2 257270448 MUGSADDFWDOGRP-HNNXBMFYSA-N 357.502 2.402 0 40 FEAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cnccn3)CC2)nn1C 257237726 HHWMRXWNUAMXFU-WKILWMFISA-N 370.501 2.318 0 40 FEAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccccc3)C2)nc2c1CC(=O)N2C 257320540 VXGOQPJFMATEBZ-OAQYLSRUSA-N 364.449 2.498 0 40 FEAB Oc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)cc1 253615991 CMFBODWDGSIUIO-VPWXQRGCSA-N 366.465 2.405 0 40 FEAB C[C@H]1CN(c2ccnc(C(=O)N[C@@H](C(=O)O)c3ccccc3)c2)C[C@@H](C)O1 263580773 WHMSZPHZGGBLEX-QWQRMKEZSA-N 369.421 2.251 0 40 FEAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 262404877 IBPQOUGTYYOJNQ-INIZCTEOSA-N 361.442 2.079 0 40 FEAB Cc1nc(CC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)cs1 82148326 CAHRSETXTKYSEE-LBPRGKRZSA-N 354.435 2.130 0 40 FEAB Cc1c(CC(=O)N[C@H](C)CO)c2c(n1Cc1ccccc1)CCCC2=O 39355296 DDVALQVSCXSKFY-CQSZACIVSA-N 354.450 2.403 0 40 FEAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 623268103 FMMAMXDAUAYLID-LIRRHRJNSA-N 371.481 2.291 0 40 FEAB O=C(Cn1cc(CC2(O)CCC2)nn1)N1CCC(Cc2ccccc2)CC1 640759952 GDSJROXIYAYCBX-UHFFFAOYSA-N 368.481 2.217 0 40 FEAB CC1(C)C(c2cc(NC(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)n[nH]2)C1(C)C 646533591 UFPRVZULCQWLTM-BGFJZZDESA-N 360.502 3.030 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 298595937 YXGYSRRGFXNPKG-LLVKDONJSA-N 370.471 2.442 0 40 FEAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2ncncc2C1 96122868 HAJKSYHZMDOEDH-UHFFFAOYSA-N 359.329 2.122 0 40 FEAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 298657280 CZGYROZEESYBPL-LBPRGKRZSA-N 374.890 2.276 0 40 FEAB C[C@@H](NC(=O)CCCc1ccc(O)cc1)c1cccc(S(N)(=O)=O)c1 75109326 HVDJJEOAXDQACE-CYBMUJFWSA-N 362.451 2.240 0 40 FEAB Cc1cccc(N2C[C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)CC2=O)c1C 89509780 ZPEBECJVASSBAA-BSIFCXSSSA-N 364.445 2.431 0 40 FEAB CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc3c(c2)OCCO3)C1 1616039297 ZDXGPGIBHVNYFB-UHFFFAOYSA-N 358.398 2.467 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)[C@@H]1C 13112699 GICAROFGRONRGO-GIQLZXEWSA-N 357.454 2.395 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1Cl 16575149 NNHZFGBKLUQVNO-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB Cc1nc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c2ccccn12 19240720 MLXHGTDCANPYBR-UHFFFAOYSA-N 372.432 2.346 0 40 FEAB CN(C)Cc1cc(-c2ccc(CNC(=O)Cc3cccnc3)cc2)nn1C 19288880 JKWOXPPGCHKPFT-UHFFFAOYSA-N 363.465 2.403 0 40 FEAB CC(=O)Nc1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1 19453761 KLUWYEWBGCMUOY-UHFFFAOYSA-N 354.454 2.453 0 40 FEAB CCOc1ccccc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19520039 IDICDNGOMWIBOO-CQSZACIVSA-N 352.438 2.151 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19568707 BBDJBDSPJQQPEO-AWEZNQCLSA-N 352.438 2.151 0 40 FEAB Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)CN(Cc1ncc[nH]1)C2 19701563 FDTVQAVQKZDLSX-ZDUSSCGKSA-N 354.389 2.020 0 40 FEAB O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCn2nc(C3CC3)cc2C1 575606058 AEJWYJNPTYHDKQ-AWEZNQCLSA-N 368.412 2.295 0 40 FEAB Cc1ccc(NC(=O)CCC(C)C)cc1S(=O)(=O)N1CCOCC1 15311284 CDYOIPBIBWTONE-UHFFFAOYSA-N 354.472 2.391 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)c(OC)c1 1565547589 LTQYAKOICLXCMJ-HNAYVOBHSA-N 362.470 2.275 0 40 FEAB CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(F)cc2s1 4359175 FDZYGBOTBWZWMD-UHFFFAOYSA-N 351.403 2.218 0 40 FEAB CCN(CC)CCCNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5187795 CQHLAIQITKHEBC-KRWDZBQOSA-N 360.502 2.440 0 40 FEAB O=C(CC1CCCC1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 10251782 BGJNZDHBPCPJFN-UHFFFAOYSA-N 355.373 2.372 0 40 FEAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(Cl)c2)CC1 2055747574 IZCNFHIAJYGTKZ-UHFFFAOYSA-N 361.877 2.266 0 40 FEAB COCC(=O)N1CCC(F)(F)[C@]2(CCN(Cc3csc(C)n3)C2)C1 2055806647 IYCXUXDDFJNULG-HNNXBMFYSA-N 359.442 2.158 0 40 FEAB CN([C@@H]1CCCN(c2ccncc2Br)C1)S(=O)(=O)C1CC1 2086865105 LARRQZWYDAPWEB-LLVKDONJSA-N 374.304 2.237 0 40 FEAB CCN1CCN(C(=O)N2CCS[C@H](c3cccs3)CC2)C(=O)C1=O 219538348 JPZQJNJFECDCAD-ZDUSSCGKSA-N 367.496 2.039 0 40 FEAB Brc1ccc(N2CCN(c3nccn4nccc34)CC2)nc1 2298054297 VLGVBXAAVUFMAL-UHFFFAOYSA-N 359.231 2.213 0 40 FEAB Cn1cnc2c(N3CCN(c4cccc(Br)c4)CC3)ncnc21 672297546 KVHNJBAWGGMLGB-UHFFFAOYSA-N 373.258 2.452 0 40 FEAB COc1ccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1OC 25432734 RLRCJTPTFALYRQ-UHFFFAOYSA-N 369.377 2.008 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 30009447 VIMBMZUJLXXMFC-AWEZNQCLSA-N 356.426 2.366 0 40 FEAB COC(=O)c1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1 40069788 KNFZUEHKDCXRQN-LRDDRELGSA-N 352.390 2.481 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N2CCOCC2)nc1 40033804 BAGOPVHENLQRRG-UHFFFAOYSA-N 369.421 2.309 0 40 FEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20057829 AQIIREKTSJWFLI-CHWSQXEVSA-N 359.426 2.311 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119977 LLWPWXGDDLMIEH-DZGCQCFKSA-N 370.371 2.349 0 40 FEAB Cc1cc(N)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1C 1338848 OPVZSWBNNOYREN-UHFFFAOYSA-N 354.439 2.499 0 40 FEAB COc1ccc([C@@H](NC(N)=O)c2cc3c(cc2OC(C)=O)OCO3)cc1 1587167 QGLOJRJQGKPCAI-QGZVFWFLSA-N 358.350 2.107 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CC 3522043 IGKKKNSWGNFIJM-SECBINFHSA-N 353.473 2.353 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 29289906 WQRMBMALQYVDEU-UHFFFAOYSA-N 372.446 2.465 0 40 FEAB COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccco3)C2)cc1 21323799 DPXCQHDJUMGKIN-SFHVURJKSA-N 369.421 2.298 0 40 FEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nnc(CC)s1 11615698 PLTOQXKPMCVDSQ-UHFFFAOYSA-N 370.456 2.258 0 40 FEAB CCCNC(=O)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 8939261 RWJHYOQMRNQVSN-UHFFFAOYSA-N 370.438 2.143 0 40 FEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC1CCCC1 8082272 INYFUTZOFUEZKX-INIZCTEOSA-N 350.484 2.362 0 40 FEAB CC(C)Cn1nc(C(=O)NCCc2ccccn2)c2ccccc2c1=O 41295587 GURHAJZPITVBTQ-UHFFFAOYSA-N 350.422 2.420 0 40 FEAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC[C@@H]1CCCO1 32946328 GIHZPHDHVZCRRW-RISCZKNCSA-N 364.446 2.397 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1C 100394873 AHOXZZUUWXAPPA-UEFGCPDKSA-N 350.418 2.359 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCc1nc2ccccc2s1 102770430 VHPAEZGDHXEAAN-NXKWAJLKSA-N 368.414 2.147 0 40 FEAB COc1ccc(-c2cc3nc(CN4CCOCC4)[nH]c(=O)c3s2)cc1 22226141 IRQCBFKETWBEPD-UHFFFAOYSA-N 357.435 2.492 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 54003066 IZIRUZWEOYSBDC-OAHLLOKOSA-N 374.391 2.038 0 40 FEAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[nH]2)c1 931788 VCCFPBSDVCDUCL-OAHLLOKOSA-N 367.409 2.490 0 40 FEAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(OC)c1OCC(N)=O 8112443 OPGSEHLPDZBXDM-UHFFFAOYSA-N 358.394 2.437 0 40 FEAB COc1ccc(-c2noc(CCCC(=O)NCc3ccnn3C)n2)cc1 24650303 WFTRIZDXXYBZGQ-UHFFFAOYSA-N 355.398 2.118 0 40 FEAB CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 113933501 KIFMIPAHUIGPHY-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H](C)O[C@H](C)C1 25413253 CBIYNIISAKDDAK-KURKYZTESA-N 359.514 2.265 0 40 FEAB Cc1cc(CN2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)no1 22799315 UEDSMWANFIGICA-FQEVSTJZSA-N 368.481 2.294 0 40 FEAB Cc1cccc(N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1C 35300850 ZFUDBDMPCZNWKQ-UHFFFAOYSA-N 370.453 2.044 0 40 FEAB S=c1[nH]c(-c2ccccc2)nn1CN1CCN(c2ncccn2)CC1 57383494 RDLQDFLPCKHLNV-UHFFFAOYSA-N 353.455 2.177 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2O1 12517254 RRPGYBBBSYJENV-SFHVURJKSA-N 353.422 2.256 0 40 FEAB CCn1cc(NC(=O)C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cn1 58112356 YBISNVFTDCMXSJ-UHFFFAOYSA-N 370.453 2.331 0 40 FEAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CCC3)CC2)cc1 58229917 BDGYEJXSDSCSNA-UHFFFAOYSA-N 350.484 2.365 0 40 FEAB Cc1ccccc1-n1ncc(C(=O)NCc2cccnc2-n2cncn2)c1C 58200770 NXRRRQVDVNSLLR-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB CC(C)CNC(=O)Cn1nnc(-c2cc(F)ccc2Br)n1 58393293 TYAQWHUXJVXLTQ-UHFFFAOYSA-N 356.199 2.014 0 40 FEAB Cc1cc(NNC(=S)S)nc(N[C@H](O)C(Cl)(Cl)Cl)n1 2361638 RZKQKGVKRWQUHL-RXMQYKEDSA-N 362.695 2.017 0 40 FEAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1 3293248 SUMDIJSMVIPOGS-GOSISDBHSA-N 360.479 2.270 0 40 FEAB C[C@H](NC(=O)CN1CC[C@H](C(=O)O)C1)c1ccc(Br)cc1 62133669 NWXISDRLFRSVEF-JQWIXIFHSA-N 355.232 2.033 0 40 FEAB COc1ccc(O)c(C(=O)c2cnn(S(=O)(=O)c3ccc(C)cc3)c2)c1 3372718 UQPPPSVACHEMBM-UHFFFAOYSA-N 372.402 2.374 0 40 FEAB Cc1ccnc2nc(C(=O)O[C@H](C)c3nnc(-c4ccccc4)o3)nn12 12885887 DDELJEHUOMWCHD-LLVKDONJSA-N 350.338 2.401 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCCO3)cc1C 12926646 LDLKFHFGDNQVIA-UHFFFAOYSA-N 354.406 2.121 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 13013002 LSZSDLOFYIOHFW-KGLIPLIRSA-N 352.456 2.295 0 40 FEAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccs1 25064409 OWFLYQQVCBPSJP-OAHLLOKOSA-N 352.481 2.100 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306138109 RPMBZDNEXBKSIX-KGLIPLIRSA-N 371.872 2.128 0 40 FEAB CN1C(=O)/C(=C/c2ccc(O)c(I)c2)N(C)C1=S 409036894 WOMKLGBLZYPOTF-TWGQIWQCSA-N 374.203 2.026 0 40 FEAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N(C)c1ccccc1 39571260 QMAFASMRXGLNHW-CYBMUJFWSA-N 361.419 2.298 0 40 FEAB O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 14108745 HVQXCPSZSGWJJQ-UHFFFAOYSA-N 358.829 2.442 0 40 FEAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 14227727 QZMAWOZYOXIZQN-CQSZACIVSA-N 374.462 2.087 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 14518678 BCHXOQDFCJSRGZ-UHFFFAOYSA-N 362.393 2.256 0 40 FEAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nn[nH]n2)cc1 5670569 REQOZUSKYVNTIY-HNNXBMFYSA-N 353.382 2.182 0 40 FEAB O=C(CSCCN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1 6846070 NCAAYUJHKQJAQW-UHFFFAOYSA-N 372.421 2.471 0 40 FEAB Oc1cnnc(SCc2ccc(CSc3nncc(O)n3)cc2)n1 5928343 UBVXTMIKZMADOT-UHFFFAOYSA-N 360.424 2.052 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C(=O)O)c3ccc(O)cc3)cc12 8764217 ZJYIPRGQCKJXFI-MRXNPFEDSA-N 370.361 2.446 0 40 FEAB biogenic C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C(=O)c2ccccc2C1=O 7215774 AMBRSOLAIDGXCF-BLLLJJGKSA-N 350.374 2.311 0 40 FEAB Cc1cc([C@@](C)(O)CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)o1 81081768 HKUZPQYOJDEVLG-QAPCUYQASA-N 362.430 2.301 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 9157283 BHBPNIZLIPQXAN-UHFFFAOYSA-N 371.462 2.136 0 40 FEAB CCc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc1 9156708 KVMXLBOQMYQZBP-UHFFFAOYSA-N 370.453 2.418 0 40 FEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCC(C)C)C2=O)cc1 9420515 LCNRVUNHDONJSK-INIZCTEOSA-N 361.442 2.058 0 40 FEAB O=C(COc1ccccc1NC(=O)N1CCCCCC1)N1CCOCC1 72313316 YYCLYTCAHCXERJ-UHFFFAOYSA-N 361.442 2.332 0 40 FEAB CN(C)C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 97604660 OLFJRWCBCQTYQL-UHFFFAOYSA-N 358.769 2.068 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccccc2)cc1 67896273 UMPDDYQJZXXVKC-IEBWSBKVSA-N 354.406 2.220 0 40 FEAB biogenic,in-vitro O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N1CCOCC1 210852612 LODQPICLKYSJBF-UKTHLTGXSA-N 366.826 2.235 0 40 FEAB Cc1c(NC(=O)NC(c2nccn2C)c2nccn2C)cccc1N(C)C 529042706 DUFNSOONTOCSEW-UHFFFAOYSA-N 367.457 2.439 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 38833438 IUTRBCWZBQIVEG-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB Cc1c([C@H]2[C@H](CNc3nc(C(F)(F)F)cs3)CC(=O)N2C)cnn1C 328837857 XYNZUSSJIVZLCG-TVQRCGJNSA-N 373.404 2.835 0 40 FEAB CCn1nc(C)c(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)c1C 227169641 YRKAVBWBNWBXQT-UHFFFAOYSA-N 372.404 2.468 0 40 FEAB C[C@H]1Oc2ccc(S(=O)(=O)N(C)Cc3cccs3)cc2NC1=O 227168423 AQWVGOOKCSWIBK-SNVBAGLBSA-N 352.437 2.288 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccnc3)C2)C1)c1ccncc1 96209239 YSPIOCPRKPRPFB-AZUAARDMSA-N 352.438 2.030 0 40 FEAB COCCn1ccc2ccc(C(=O)NCCc3nnc4ccccn34)cc21 95480189 ILDBCJRHLQZLQU-UHFFFAOYSA-N 363.421 2.303 0 40 FEAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1 96081220 DBUZJFFYBGKYMN-UONOGXRCSA-N 356.344 2.167 0 40 FEAB Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96110895 NDACDOAVBGRKSX-APWZRJJASA-N 357.410 2.277 0 40 FEAB Cc1ncoc1C(=O)N1CC2(CC[C@H](CN(C)Cc3cccnc3)CO2)C1 248099938 HJGOUNYDHRENSL-QGZVFWFLSA-N 370.453 2.131 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242543279 JVEFSRVRWZLJPV-NLWGTHIKSA-N 373.474 2.443 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247324343 MZIFGFPSFIFFBA-OAHLLOKOSA-N 362.476 2.409 0 40 FEAB Cc1nc(CNC(=O)[C@@H](C)n2cc(COc3ccccc3)nn2)cs1 257173730 VVYHADCCJYRCOT-GFCCVEGCSA-N 357.439 2.499 0 40 FEAB COCCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257204086 ASZSTXLHGBVUBJ-MRXNPFEDSA-N 360.389 2.296 0 40 FEAB COc1ccc(OCC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)cc1 257200394 ADBXTQCHFZTMOW-DZJZLKLXSA-N 372.465 2.464 0 40 FEAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382662 XWBYDIRYYVNTEF-HNBVOPMISA-N 373.472 2.429 0 40 FEAB biogenic,in-vitro CC(C)c1nnc(COC2CN(C(=O)C[C@@](C)(O)c3ccccc3)C2)o1 606445817 QHIOYMCTYKRRJS-LJQANCHMSA-N 359.426 2.218 0 40 FEAB c1ccc(CC[C@]23CNC[C@H]2CN(c2nnnn2-c2ccccc2)C3)cc1 1772710516 XCOKIWFRHUBGSB-GHTZIAJQSA-N 360.465 2.321 0 40 FEAB C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(C(F)(F)F)n[nH]1 1645527987 DOYMVUFPHBWLGM-SSDOTTSWSA-N 351.292 2.100 0 40 FEAB Cn1cnc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c1 96026031 UBJANFMFUAFJIX-UHFFFAOYSA-N 367.477 2.253 0 40 FEAB COCCN1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 585290532 XUAIJOPFBCKICA-IPMKNSEASA-N 368.905 2.265 0 40 FEAB Cc1cc(C)n(CC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 685943508 XQYZTNOHYPNLFM-KXBFYZLASA-N 355.442 2.341 0 40 FEAB CCN1C(=O)C[C@H](C(=O)NC2(c3ccccc3)CC2)[C@H]1c1nccn1C 1615588076 BSPNERHOJPBKGV-RDJZCZTQSA-N 352.438 2.135 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)C[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 5915033 WJXZXBZHONCJPI-NARAOEGZSA-N 366.502 2.162 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2ccncc2)C1 19562041 XZDZRUKAUJYYCV-FQEVSTJZSA-N 351.406 2.051 0 40 FEAB CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(CN2CCOCC2)o1 19586065 LAGRTCODJGDAJK-HXUWFJFHSA-N 370.449 2.498 0 40 FEAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)OC)C1=O 6439808 VOQFKXYMGRGGRP-XNTDXEJSSA-N 354.362 2.304 0 40 FEAB CCOc1ccc(OCC(=O)N2CCN(c3nccn3CC)CC2)cc1 12444588 RBRXZXKRGAOWGD-UHFFFAOYSA-N 358.442 2.029 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)N2CCc3cc(C(=O)O)ccc32)c1 13450335 VKIAKDRPSPCIIG-UHFFFAOYSA-N 359.403 2.132 0 40 FEAB O=C(Nc1ccc(Br)cn1)c1cnc2sccn2c1=O 28232896 KLFUUYMJHISGDA-UHFFFAOYSA-N 351.185 2.166 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@]2(O)CSCc3ccccc32)cc1 2087156989 ZSFASMUUINXFOI-LJQANCHMSA-N 357.431 2.338 0 40 FEAB O=C(c1cc[nH]n1)N1Cc2c(-c3ccccc3)ncnc2-n2nccc2C1 1565546936 BSGPVZBLEDOQRC-UHFFFAOYSA-N 357.377 2.208 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565547846 OJNBEBNYKZGMPL-UHFFFAOYSA-N 365.424 2.320 0 40 FEAB CCCCCCn1c(N2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 2594257 NGRNMTFPXUKXHB-KBPBESRZSA-N 361.490 2.486 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)c3ccccc3F)CC2=O)cc1OC 5221596 SIVGPHPPNHJKID-LBPRGKRZSA-N 358.369 2.378 0 40 FEAB CCCC(=O)Nc1nnc(SCC(=O)Nc2nnc(C)s2)s1 9366924 RQFQGVGRGWXVBC-UHFFFAOYSA-N 358.474 2.167 0 40 FEAB O=C(NCc1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCO2 12375151 IMUIZCSKJGDNEK-UHFFFAOYSA-N 367.155 2.026 0 40 FEAB CCOc1ccc(C(=O)NC2CN(c3ncnc4ccsc34)C2)cn1 1775975420 GYYRQBTYGTYBBA-UHFFFAOYSA-N 355.423 2.104 0 40 FEAB CC(C)(C)c1ccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nn1 2086884470 XEQZXGCCECWULG-ZDUSSCGKSA-N 368.428 2.237 0 40 FEAB O=C(/C=C/c1cccnc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 575616935 OMOFFTRZBBYEAW-AAOUONPWSA-N 351.332 2.127 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C3CC3)nc2)cc1 585150430 VXGGFMJYQCOJNT-UHFFFAOYSA-N 359.451 2.139 0 40 FEAB O=C(NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1 10592950 BWUDRJKYJIQFQM-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NC(=O)NCc1ccccc1 2299670 PYBFWJPIMBRQAV-UHFFFAOYSA-N 365.389 2.089 0 40 FEAB CCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(O)CC3)C2=O)cc1 215705204 PGVLHCNPYOPQPM-SFHVURJKSA-N 360.454 2.344 0 40 FEAB Fc1ccc(-c2n[nH]cc2CNC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 40091408 DXZHCRDPTLZNMY-VQIMIIECSA-N 374.460 2.043 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)nc1 30437748 KZVVMNDVPFRCSZ-SOFGYWHQSA-N 355.394 2.213 0 40 FEAB O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)CCC2 28844115 BPAMLMGGLGEBFB-UHFFFAOYSA-N 351.454 2.116 0 40 FEAB COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(-c3cccnc3)nn21 101125143 WFDRXPVGIZPHHB-MRXNPFEDSA-N 362.393 2.123 0 40 FEAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101361100 KXJMSGDMBNHJMB-GOEBONIOSA-N 370.748 2.361 0 40 FEAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)c1 20721182 MSODOZINIUWAJI-NSHDSACASA-N 361.423 2.460 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 7801157 BEZHMVAQCUQGCJ-AWEZNQCLSA-N 356.378 2.362 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1O 100998038 BOSTVRLNGVRLQM-FZTCLAKQSA-N 372.808 2.037 0 40 FEAB CCCCc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 102884920 AUENMZYOBDNCJV-TXEJJXNPSA-N 362.455 2.161 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C(N)=O)ccc1C 104340708 DFOAQAYQTDIBLH-SFHVURJKSA-N 351.406 2.006 0 40 FEAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)CCC[C@H]1C 104858650 JRIJPFROMGRPCH-ILXRZTDVSA-N 374.437 2.469 0 40 FEAB O=C(c1ccccc1-n1cnnn1)N1CCN(c2cccc(Cl)c2)CC1 12323476 ZGYBFFBEDKQAPB-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB O=C(O)c1csc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 23818058 PLOWXFVYORMUHK-UHFFFAOYSA-N 366.420 2.139 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc(F)c1 22767335 RNSYGJIEHMEQLG-MRXNPFEDSA-N 370.471 2.239 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OCC)[n+]1ccccc12 104137598 HXHJZSGLOLVDAU-MKXGPGLRSA-N 352.410 2.381 0 40 FEAB NC(=O)c1cccc(OCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 55906414 WXBPWMYDGTZVRE-HXUWFJFHSA-N 361.401 2.465 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1cn2cc(Cl)ccc2n1 12529502 CXMAPAXSARRHQL-UHFFFAOYSA-N 354.819 2.413 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCc2ccccc21 57115462 CJYXFUHLLCYADS-UHFFFAOYSA-N 361.419 2.464 0 40 FEAB COc1ccc(OC[C@@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 22018841 KBIFSFLBFWSRBJ-ZDUSSCGKSA-N 360.797 2.498 0 40 FEAB Cc1cc(NC(=O)CN2CCN(CCc3ccccc3Cl)CC2)no1 58200955 HPYPVSXXNNDMCG-UHFFFAOYSA-N 362.861 2.435 0 40 FEAB CCOC(=O)N[C@@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C(C)C 58366618 XPNWEGUJJYMFSF-MRXNPFEDSA-N 367.421 2.372 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393398 WFBOMZHKVWVQEJ-UHFFFAOYSA-N 368.499 2.465 0 40 FEAB C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 62185391 BLCGKRAURKJFQP-SUMWQHHRSA-N 373.453 2.221 0 40 FEAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(F)c1 12775340 KLXMPAUEOBRPOX-LLVKDONJSA-N 373.359 2.236 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)OC 12764425 FGGYQYREDIJGNG-ZYHUDNBSSA-N 374.532 2.402 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H]1CCc2ccccc21 12791118 UQHODWNPOZGMBH-MRXNPFEDSA-N 362.426 2.298 0 40 FEAB CN(Cn1nc(-c2ccc(F)cc2)oc1=S)[C@H]1CCS(=O)(=O)C1 12764761 AFFYELFNZJOWFB-LBPRGKRZSA-N 357.432 2.088 0 40 FEAB COc1ccc(-c2nc(C(=O)N3CCCn4ncnc43)cs2)cc1OC 48274729 UUNCIWYOZBQCJM-UHFFFAOYSA-N 371.422 2.469 0 40 FEAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)/C=C/c3ccccc3)C2=O)c1 12804041 ARVRFRXKNUZHAN-YVNCXZRQSA-N 365.389 2.207 0 40 FEAB Cc1cccc(CO[C@H]2CN(Cc3cc(C)on3)Cc3ccnn3C2)n1 306128693 HILIGFUNBCKXIQ-IBGZPJMESA-N 353.426 2.484 0 40 FEAB O=C(CCCOc1ccccc1)NCc1ccc(N2CCOCC2)nc1 21521380 ZUALUDCISLUOJJ-UHFFFAOYSA-N 355.438 2.394 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c1C 3544328 JEQHNDUCJGTJNY-GHMZBOCLSA-N 350.415 2.364 0 40 FEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 13005297 MCSWJZPUYLPVAK-CABCVRRESA-N 353.382 2.281 0 40 FEAB O=C(CCn1c(=O)sc2ccccc21)NCc1ccc2c(c1)OCO2 4101800 RXGREPYFTPMNCU-UHFFFAOYSA-N 356.403 2.498 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 6145056 ULDWJHWQVTVTLO-UHFFFAOYSA-N 374.462 2.443 0 40 FEAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 14119772 ZWYQXDIDWXRXEA-UHFFFAOYSA-N 365.393 2.487 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 6603048 FDQHJYNZOJJZNI-UHFFFAOYSA-N 354.204 2.026 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2ccccc2Br)n1 7385665 XVBBOOAOGMRHIM-UHFFFAOYSA-N 357.233 2.161 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCOc1ccccc1F 9690042 CRETUCOVOPTDJN-UHFFFAOYSA-N 370.384 2.283 0 40 FEAB O=S(=O)(NCCCc1nnc2ccccn12)c1ccc(Cl)cc1 72313053 HYKFOOZTZOPMJK-UHFFFAOYSA-N 350.831 2.294 0 40 FEAB CC(C)c1nsc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 72307809 AWAYQGIZRHTDSK-CQSZACIVSA-N 351.520 2.185 0 40 FEAB COc1ccc([C@H](NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C(C)C)cc1 95348666 VCMZVOSQLMNYNI-JKIFEVAISA-N 356.488 2.336 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(-c3nnn(C)n3)c2)c1C 95474639 XQPLQXFJRQMNOF-UHFFFAOYSA-N 368.397 2.251 0 40 FEAB NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 79111244 TVRIOQIDUKCXIO-AWEZNQCLSA-N 361.423 2.374 0 40 FEAB Cc1cc(CN(C)C)cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 89585442 VDQVIHODFIZIOX-UHFFFAOYSA-N 373.482 2.448 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136932 QHAHPLXIOSZUIY-UWJYYQICSA-N 370.497 2.429 0 40 FEAB COc1cccc(CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]2CCCO2)c1 66496726 XQZTVVAIXCYOGQ-GOSISDBHSA-N 368.437 2.212 0 40 FEAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 306125031 CFARSWXRIPCXLJ-YLJYHZDGSA-N 369.444 2.281 0 40 FEAB COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 1321765 OXALMSCRSIEZGS-UHFFFAOYSA-N 350.374 2.202 0 40 FEAB biogenic CC(=O)N1CC[C@](C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 530850609 SONPTPOOQDUFFI-NRFANRHFSA-N 357.498 2.368 0 40 FEAB O=C(NC[C@]1(O)CCCc2occc21)C(=O)Nc1ccc(F)c(Cl)c1 1565523025 FDEHUYYGICUKCE-QGZVFWFLSA-N 366.776 2.351 0 40 FEAB Cc1nccn1-c1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 72379222 OHRICTUJXOCLGD-UHFFFAOYSA-N 353.470 2.378 0 40 FEAB COC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1 45958605 GUTHRVAQMAEHNF-NSHDSACASA-N 372.343 2.068 0 40 FEAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 573526362 BFYDAOUDNCUBIH-INIZCTEOSA-N 370.497 2.312 0 40 FEAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906394 OYJAPHZIVGSNHZ-STQMWFEESA-N 365.503 2.329 0 40 FEAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c1 225703329 PSBCYKUZRMDYAA-KRWDZBQOSA-N 366.527 2.489 0 40 FEAB Cc1ccc(C(=O)N2CCc3nc(N4CCOCC4)nc(C)c3CC2)cc1 96254791 IBCQOMWQLCQRGX-UHFFFAOYSA-N 366.465 2.171 0 40 FEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)on1 333176552 LOOOASKZPGGKAJ-NEPJUHHUSA-N 374.363 2.383 0 40 FEAB COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107801 AMUFFHBABZBYEO-QUCCMNQESA-N 355.438 2.435 0 40 FEAB COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)cc1 96050054 QKBNKCPCLZSSSP-UHFFFAOYSA-N 359.514 2.460 0 40 FEAB COc1cccc(CN2CCC[C@@]3(CCN(C(=O)N4CCOCC4)C3)C2)c1 96215699 XEHCPFCRRNHVOP-OAQYLSRUSA-N 373.497 2.435 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 247845443 MNBYRJTVUWPTTN-SFHVURJKSA-N 355.438 2.435 0 40 FEAB Cn1cc(CN2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)cn1 257203793 ARQHMUIIHQZHTI-OAHLLOKOSA-N 364.457 2.198 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc4ncsc4c3)CC2)n1 253537738 XVBYBRXUNOABKG-UHFFFAOYSA-N 369.450 2.499 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257236303 HBNUGYATXDTKJO-HNNXBMFYSA-N 366.421 2.298 0 40 FEAB O=C(c1cncs1)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257252957 JWXGDELOKUUDJR-MRXNPFEDSA-N 358.467 2.348 0 40 FEAB CCc1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 621306345 XUCGQIPQWNZIDB-MRXNPFEDSA-N 365.476 2.197 0 40 FEAB C[C@@H]1c2ncc(CCOCc3ccncc3)n2CCN1Cc1cn[nH]c1 585096795 AUTVHROVHUICQO-OAHLLOKOSA-N 352.442 2.337 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159963 QLOKWJYTPNZFDH-LJQANCHMSA-N 355.394 2.021 0 40 FEAB COc1ccc(C(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)c(F)c1 1549162631 TXPBEKRBPCRSPZ-UHFFFAOYSA-N 370.380 2.393 0 40 FEAB CC(C)(C)NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107395 YZYZAPGCFKBWSL-UHFFFAOYSA-N 366.418 2.146 0 40 FEAB COc1ccnc(Cn2nc3c(C)cc4ccccc4n3c2=O)c1OC 12116226 BTLAYTJVIOENMO-UHFFFAOYSA-N 350.378 2.418 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669116 OYBSALHXHGIPCU-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB COc1ccc(CN2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)cc1 19239075 UMEPJEZERJXRFC-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)NC1=S 8333745 DFYQZDVLCYZWLU-ZSOIEALJSA-N 362.451 2.358 0 40 FEAB Cc1nn(Cc2ccc(C(=O)N3CCOCC3)o2)c(C)c1Br 656915 DXPQONJWUORJRD-UHFFFAOYSA-N 368.231 2.376 0 40 FEAB Cc1cccnc1C1(O)CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 12117333 BIOHTKUXFRAIQM-UHFFFAOYSA-N 366.421 2.352 0 40 FEAB COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@H]23 253393480 BKMGDPNQILJWLI-JTMTTYTKSA-N 354.450 2.416 0 40 FEAB biogenic,in-vitro Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)NCc2ccccc2)c1 24693144 DQLKTBRLOIFNJR-UHFFFAOYSA-N 361.467 2.081 0 40 FEAB CC(C)C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 30427894 HGYZJBGHMCUJFQ-OAHLLOKOSA-N 368.499 2.214 0 40 FEAB Cc1cncc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037984763 NAPJMMKBEWNPOF-NRFANRHFSA-N 365.433 2.286 0 40 FEAB COCc1ccc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)cc1 1565555897 RRTHSISSTCKNBN-UHFFFAOYSA-N 352.438 2.245 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)C3CC(C)C3)CC2)[C@]2(CCNC2=O)C1 1565546362 YZASMVQNKJSREI-MYKUNDNFSA-N 361.530 2.119 0 40 FEAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 2975365 OWPBUEZXYBQTAQ-UHFFFAOYSA-N 361.423 2.237 0 40 FEAB CCn1nnc2c(SCC(=O)Nc3ccc(C(C)=O)cc3)ncnc21 13532180 MNYAZGSAYCYGNH-UHFFFAOYSA-N 356.411 2.175 0 40 FEAB C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)c2ccccc2C1=O 17247399 UQAHVJZYAYUPJN-OAHLLOKOSA-N 369.465 2.148 0 40 FEAB Cc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3Oc2ncccc2F)cn1 2055746160 SEFQZTVLIPYGHS-ULQDDVLXSA-N 357.385 2.375 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 40088414 AWAGOHKRQIMLRB-CQSZACIVSA-N 358.891 2.408 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 2404156 NOVLTWIABQSLBK-SFHVURJKSA-N 371.412 2.353 0 40 FEAB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1 7807796 QTCVIRAIQZRTBC-KRWDZBQOSA-N 354.385 2.203 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 2560868 JYOQCCFYSJPSLC-HUUCEWRRSA-N 362.426 2.198 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1COc2ccccc2O1 2708030 KFLTXJWGBYUFKW-QGZVFWFLSA-N 373.361 2.269 0 40 FEAB CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-n1cccc1 4518524 QVHWWENBNKCHQX-UHFFFAOYSA-N 371.422 2.413 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 32100503 JCINFPOWDDURGV-INIZCTEOSA-N 374.437 2.256 0 40 FEAB O=C(CN1CCCS1(=O)=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 108288002 WVTQSPIXJUCSME-QGZVFWFLSA-N 361.467 2.257 0 40 FEAB COc1ncccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 45931321 ZJCDZGIKEWFGSG-UHFFFAOYSA-N 369.402 2.391 0 40 FEAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298611 LTLXKIHQNGVXSC-WDYCEAGBSA-N 371.485 2.241 0 40 FEAB biogenic,in-vitro CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccncc2)c1 46045831 HYQYIAVHMKQQFO-UHFFFAOYSA-N 361.467 2.383 0 40 FEAB Cc1ccc(CCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1Cl 32771063 RKDHYNRBYCXPJO-UHFFFAOYSA-N 358.891 2.121 0 40 FEAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)[C@@H]1COCCO1 46309947 NHDNCVMNPVYOBV-IBGZPJMESA-N 367.401 2.409 0 40 FEAB Cc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)c1 16281074 ZRRLNDZNOWARPJ-UHFFFAOYSA-N 365.433 2.069 0 40 FEAB Cc1cc(C(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)nn1C 9001902 ZRMCRIQVXLHGNC-UHFFFAOYSA-N 359.430 2.440 0 40 FEAB CC[C@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 52796766 OKTXQXRXMNPUPY-AWEZNQCLSA-N 363.483 2.372 0 40 FEAB Cn1nccc1CN1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 108528653 NCWYOKQWTPKJLM-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 23157124 QIOWAMYYTUXEAA-SWLSCSKDSA-N 362.451 2.291 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cccnc1 12325113 YZDJZWRGXAJAAA-IBGZPJMESA-N 360.417 2.134 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)Nc2cccc(C(C)=O)c2)cc1 47335036 AIJCIPKMBUSRLH-UHFFFAOYSA-N 355.394 2.449 0 40 FEAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 35268843 WKIIEDVXBOFWIO-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB COc1ccccc1C(=O)N1CCCN(c2cnnc(O)c2Cl)CC1 57142353 QKDMWRLOOJCORB-UHFFFAOYSA-N 362.817 2.197 0 40 FEAB CCN(CC)CCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 22075869 DRXLPKRRAXXFRU-UHFFFAOYSA-N 365.518 2.420 0 40 FEAB CCOc1cc(CNCCO)ccc1OCC(=O)N(C(C)C)C(C)C 58067181 QNXAZWTXXUURBE-UHFFFAOYSA-N 352.475 2.191 0 40 FEAB CSc1ncccc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 58161481 AKPHJCNYQWPLOE-UHFFFAOYSA-N 371.510 2.270 0 40 FEAB CN(CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 58264851 MICBUKUJDZRXMG-RHSMWYFYSA-N 364.511 2.034 0 40 FEAB O=C(Cc1cccc(F)c1)NCCN[C@@H](C(=O)NC1CC1)c1ccccc1 58218286 UBLRUUJBCZPDAB-HXUWFJFHSA-N 369.440 2.094 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Cn3cncn3)cc2)CC1 10655626 LGOJOKJRABLQJL-HNNXBMFYSA-N 356.426 2.130 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 409393092 VHAOYYWVBMIFGZ-HNNXBMFYSA-N 366.483 2.027 0 40 FEAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 36394583 HJDUTIFQSFGUED-QGZVFWFLSA-N 356.401 2.202 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccccc1 3240571 DEJJWWRPYCCZAC-UHFFFAOYSA-N 350.374 2.044 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 3392202 MGRHRZDHFGEASL-LBPRGKRZSA-N 357.362 2.286 0 40 FEAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(F)c1 12775343 KLXMPAUEOBRPOX-NSHDSACASA-N 373.359 2.236 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1cc(=O)c2ccccc2o1 48324959 XDPQTDUBJPWQHI-UHFFFAOYSA-N 352.394 2.083 0 40 FEAB Cn1c(Cl)cnc1COC(=O)[C@H]1CCCCN1C(=O)c1ccco1 48313263 XWRAIPWZXCITRQ-LLVKDONJSA-N 351.790 2.405 0 40 FEAB CC(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)n(C)c1 8416599 WLHVKCYRJDTQDW-UHFFFAOYSA-N 354.362 2.152 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccccc1O 5078355 MJFDWYABRIQXKT-UHFFFAOYSA-N 354.362 2.313 0 40 FEAB O=C(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)Nc1nccs1 13734105 KEBCMEVWZROVAB-AWEZNQCLSA-N 370.434 2.251 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 25179266 SWHGEJNTSKQWKG-INIZCTEOSA-N 360.435 2.238 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)c1 20800059 LNHOKTFYQPNKNK-CYBMUJFWSA-N 366.425 2.032 0 40 FEAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1CCc1cccs1 7471036 ZHFZLOUEHJFTQM-UHFFFAOYSA-N 373.434 2.012 0 40 FEAB Cc1oc2cc3oc(=O)c(CC(=O)Nn4cnnc4)c(C)c3cc2c1C 9051150 IRKUKACXDPPHOX-UHFFFAOYSA-N 352.350 2.369 0 40 FEAB CN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9638061 XYROPNICSAOUEB-OAHLLOKOSA-N 359.451 2.009 0 40 FEAB CCN(C(=O)[C@H](C)Oc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 9112417 OUYCRLNZOXKNHO-STQMWFEESA-N 357.497 2.211 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)Cn2c(C)cc3ccccc32)no1 96000997 SUJBWQRQKWXLSY-MRXNPFEDSA-N 370.409 2.079 0 40 FEAB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1sccc1C(N)=O 9322795 HANFNJAKWMXPSF-SNVBAGLBSA-N 361.423 2.097 0 40 FEAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(O)c2sccc23)cc1 67240886 BOWZXMHWSAREKG-UHFFFAOYSA-N 360.420 2.440 0 40 FEAB Cc1cc(NC(=S)NC(=O)COc2ccccc2)cc(C(=O)O)c1O 20153592 IQJLBTMSJIMIGB-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB COc1ccc(NC(=O)CC(C)(C)CC(=O)NCCN(C)C)c(OC)c1 9833516 BVTNJRVGLRJEJS-UHFFFAOYSA-N 365.474 2.127 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2sncc2c1 97102767 QWTMNLGCYHZTHO-UHFFFAOYSA-N 363.420 2.205 0 40 FEAB CCCCCCN(CCN1CCOCC1)c1nccc(-n2cccn2)n1 72312217 BMXWIDKYLBXLBL-UHFFFAOYSA-N 358.490 2.381 0 40 FEAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(Cn2ccnc2)o1)CC(C)C 84794361 DEUQQKQLJHPFLH-CQSZACIVSA-N 362.430 2.415 0 40 FEAB C[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 95456674 CWRUCYMHNVSAIK-AWEZNQCLSA-N 363.417 2.263 0 40 FEAB O=C(NCCc1ccc(O)cc1)NCc1ccc(Cn2cncn2)cc1 550222330 HBIXFJFYTPHXET-UHFFFAOYSA-N 351.410 2.074 0 40 FEAB COc1cccc(C(=O)NCCNC(=O)c2cn(C)c3ccccc23)c1 32074839 HPSGAUBACKXOOE-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB COc1cc(OC)c2c(C)c(CC(=O)NCCn3cccc3)c(=O)oc2c1 70666538 ADRFOFCZOGBGSO-UHFFFAOYSA-N 370.405 2.279 0 40 FEAB biogenic CONS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 48345264 FGWXPPPMYBPBRM-UHFFFAOYSA-N 368.842 2.152 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)N(C)C)c1 225208471 INXPSLPPWIRGDF-HNNXBMFYSA-N 355.504 2.077 0 40 FEAB Cn1cc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)c2ccccc21 85436221 PBDMIIGCHRBPDI-GOSISDBHSA-N 368.481 2.279 0 40 FEAB biogenic,in-vitro CC1CCN(c2cc(-n3cnc(C(=O)N4CCSCC4)c3)ncn2)CC1 49411195 DURZIBREWRCDCV-UHFFFAOYSA-N 372.498 2.088 0 40 FEAB CCn1nncc1CNC(=O)Nc1ccc(OC)cc1Br 528961675 RDAQSBYRAMIAKT-UHFFFAOYSA-N 354.208 2.391 0 40 FEAB O=C(O)c1ccc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)cc1 96112141 VVKCKHPQPJRUFV-ZBFHGGJFSA-N 370.384 2.395 0 40 FEAB biogenic,in-vitro CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H](C)Cc2cccs2)CC1 583623058 HBTVURKGWKFAJK-UKRRQHHQSA-N 366.483 2.241 0 40 FEAB COc1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)nn1 95479731 ZFVCSMSDEBQEON-UHFFFAOYSA-N 352.438 2.287 0 40 FEAB CS(=O)(=O)C(Br)(Br)C(=O)c1ccc(F)cc1 96518470 AELRWWVCKJGDKV-UHFFFAOYSA-N 374.025 2.497 0 40 FEAB COc1ccc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)cc1 96052071 MJUFYZKUQWDMKV-QUCCMNQESA-N 357.454 2.199 0 40 FEAB O=C(Cc1cccs1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247842309 FXFNMPUXIWDJJW-AWEZNQCLSA-N 358.467 2.200 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 248068305 XVAYOWWPIDDSFK-OAHLLOKOSA-N 357.410 2.216 0 40 FEAB CCOC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)C[C@H]1c1cnn(C)c1 585655625 MOGOYAABGIYTJV-HOCLYGCPSA-N 351.882 2.368 0 40 FEAB C[C@](CNC(=O)c1ccn(C2CCOCC2)n1)(C(=O)O)c1ccccc1 630170144 MHRYRFUHLOPBMH-LJQANCHMSA-N 357.410 2.007 0 40 FEAB O=C(CCc1ccc2ccccc2n1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644227769 SUTCYJIOTRPKHG-RLLQIKCJSA-N 353.466 2.271 0 40 FEAB COc1ccncc1NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644337836 KSHUVPWWXHIWAD-FQEVSTJZSA-N 355.438 2.446 0 40 FEAB CN(C(=O)c1cocn1)[C@H](CNC(=O)c1cocn1)c1ccc(F)cc1 673842047 BCFCOAIMTONHHU-OAHLLOKOSA-N 358.329 2.045 0 40 FEAB Cc1occc1C(=O)N1CCn2c(COc3cccnc3)nnc2[C@@H]1C 585097350 KJXPITTWZRFLDZ-LBPRGKRZSA-N 353.382 2.371 0 40 FEAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 95958492 YHZCCPXSAQDOFE-LLVKDONJSA-N 353.371 2.100 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)Cc2ccccc2C)cc1OC 5086878 MNTNIIYMQHHMCP-UHFFFAOYSA-N 371.433 2.457 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c2c(c1)OCCCO2 11214917 FPZOGPYVYFWSNI-ZDUSSCGKSA-N 368.842 2.467 0 40 FEAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)C1CCOCC1)c1ccccc1O2 12086468 JFZPKMGHEOMHDB-DYESRHJHSA-N 372.465 2.434 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 12185990 IJVJZZSTTOIFMJ-DVOMOZLQSA-N 371.485 2.326 0 40 FEAB CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C4CC4)on2)C3)CC1 19588312 JSZKAVGEYAIZFJ-UHFFFAOYSA-N 367.453 2.350 0 40 FEAB C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829827 NTFMQIYKSGMMQK-GFCCVEGCSA-N 368.437 2.175 0 40 FEAB Cc1nc(N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)nc(O)c1F 1888904266 QHVSQZGEOWDNID-CHWSQXEVSA-N 368.416 2.089 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1N1CCCC1=O 30521934 WITASJJVYKWBGG-ZIAGYGMSSA-N 358.394 2.428 0 40 FEAB O=C([C@@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCC(F)(F)CC1 2087131113 NYLXYCLGYGNZBA-AWEZNQCLSA-N 371.453 2.479 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565549245 SMKDHXROTLZICZ-RDBSUJKOSA-N 356.344 2.403 0 40 FEAB COc1cccc(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)c1 4503818 GXUVHQGVKLELNX-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB Cn1nccc1C(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971434 OFAWJKTYYZBILE-UHFFFAOYSA-N 363.421 2.121 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCc2nc3ccccn3c(=O)c2C1 225777560 AGMDRQBVPXZHKS-UHFFFAOYSA-N 374.322 2.307 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2n[nH]c(=O)cc2C1 225785845 SANWUQUFNPTQSO-CYBMUJFWSA-N 351.328 2.005 0 40 FEAB CCOC(=O)Nc1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 12881277 XMWQNIQDQNHZRZ-UHFFFAOYSA-N 363.395 2.299 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCc3nc(C4CCNCC4)ncc3C2)[nH]n1 19083694 KBGJKIHCVXCIFO-UHFFFAOYSA-N 368.485 2.163 0 40 FEAB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(Oc2ccccc2)cc1 3248682 DOUPKVGLUZDPMF-INIZCTEOSA-N 354.362 2.239 0 40 FEAB CN1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)C12CCCCC2 24098465 QQZGJNYHIZRFMB-AWEZNQCLSA-N 350.390 2.162 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1 7505366 PFNOKYQHSKZYTA-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB CC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1 1361414 FCGSEZNTKQCIEJ-UHFFFAOYSA-N 373.463 2.335 0 40 FEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OCc1ccccc1 1578642 VXUVNSBXLFFECZ-CHWSQXEVSA-N 350.415 2.148 0 40 FEAB O=C(C[C@@H]1CCCO1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51419988 LCVGITWMOZORPT-SFHVURJKSA-N 357.454 2.481 0 40 FEAB CCN(CC)c1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1 6630009 MBGCPLAGFIMZER-PTNGSMBKSA-N 361.467 2.106 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 6817837 LEUMSGFMRGJRBW-UHFFFAOYSA-N 374.875 2.474 0 40 FEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O 6948438 VLSKJKQQTDIRKZ-ZROIWOOFSA-N 364.423 2.306 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)CC1 100747442 RUQRWTJQLMENBS-LESCRADOSA-N 358.486 2.333 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 18240662 CNUGHMXBRPWZGZ-ZDUSSCGKSA-N 370.327 2.134 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC 2626971 IGNGBYMICMKFLP-FQEVSTJZSA-N 368.389 2.354 0 40 FEAB CCN(Cc1ccncc1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 33048003 VUFJVERPWUCRCH-UHFFFAOYSA-N 363.439 2.259 0 40 FEAB CCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 678020 PXYXJNCVYGJWHT-UHFFFAOYSA-N 350.831 2.389 0 40 FEAB NC(=O)Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccco1 42155323 TZELTNGKUOSHSE-UHFFFAOYSA-N 354.395 2.192 0 40 FEAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N(CC)c1ccc(F)cc1 25046536 BMUOYNIDJMTAQU-SXGWCWSVSA-N 366.414 2.159 0 40 FEAB Cc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1S(N)(=O)=O 12535695 XZEUYVNUCNJTMY-UHFFFAOYSA-N 374.397 2.220 0 40 FEAB O=C1O[C@H](C(=O)Nc2ccccc2N2CCOCC2)Cc2ccccc21 12534335 XAUZLFSEOOIXMG-SFHVURJKSA-N 352.390 2.243 0 40 FEAB C[C@H]1CN(Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@@H](C)O1 55869919 YXYSJSRRAMGIAV-BETUJISGSA-N 359.392 2.386 0 40 FEAB COc1ccc(F)cc1C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25342174 APOUSXITXGUHET-UHFFFAOYSA-N 372.396 2.237 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCOCC1 113942185 LUJWHBFAEDJRGC-UHFFFAOYSA-N 366.483 2.032 0 40 FEAB CC(=O)N1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 27475728 WIGALMBMJIVXSK-UHFFFAOYSA-N 364.808 2.278 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCC(C)C)[C@H]3C1=O 2152222 YCNSXBIJSKDORK-PDOICOKGSA-N 357.406 2.181 0 40 FEAB biogenic Cc1ccccc1N1CCN(CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 2183608 PBFQNWKRAQODNQ-IBGZPJMESA-N 370.497 2.324 0 40 FEAB aggregator O=C(CCSc1nnc2ccccn12)NC(=O)NCc1ccccc1 10340783 ZSAZTTISCMJGFR-UHFFFAOYSA-N 355.423 2.238 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1N1CCCC1=O 58341820 APUFIAIHHLKZOG-CYBMUJFWSA-N 373.453 2.455 0 40 FEAB CC(C)n1ncc2cc(C(=O)OCc3nnnn3-c3ccccc3)cnc21 10887102 DEKKGOTWSQITCQ-UHFFFAOYSA-N 363.381 2.345 0 40 FEAB Nc1nc(COc2nnc3ccccn23)nc(Nc2ccc(Cl)cc2)n1 12770021 IQYNDEXFFMICLD-UHFFFAOYSA-N 368.788 2.473 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 12811532 FIZMZHFAKWLQRA-CQSZACIVSA-N 363.435 2.448 0 40 FEAB O=C1CCc2cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)ccc2N1 48653279 KSXBAEMXBYFKQI-UHFFFAOYSA-N 352.177 2.318 0 40 FEAB O=C(N1CCCC1)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 306124455 BQCRVWDRLZHXRC-SFHVURJKSA-N 362.474 2.289 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 13016042 VDGPWBDORISARV-AWEZNQCLSA-N 371.462 2.301 0 40 FEAB CC(=O)Nc1nnc(CCCCCc2nnc(NC(C)=O)s2)s1 16956694 KJFLZRPVRMQNLA-UHFFFAOYSA-N 354.461 2.262 0 40 FEAB CCCNC(=O)NC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C 8311603 TXHJVPXFESCWJL-UHFFFAOYSA-N 357.458 2.157 0 40 FEAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6149589 OCBZXXKOWXVEKH-CYBMUJFWSA-N 372.421 2.228 0 40 FEAB O=C(COC(=O)c1ccc(Br)cc1)NC(=O)c1ccco1 14023210 PHZSVIICIRFHQG-UHFFFAOYSA-N 352.140 2.156 0 40 FEAB C[C@H]1C(=O)N(CN2CCN(c3ccccn3)CC2)C(=O)N1c1ccccc1 14138435 BISXIXMJMUIMHX-INIZCTEOSA-N 365.437 2.018 0 40 FEAB CC(C)n1ncc2cc(NC(=O)Cn3c(=O)n(C)c4ccccc43)cnc21 14118702 HBHOUPYVWHGPHC-UHFFFAOYSA-N 364.409 2.304 0 40 FEAB O=C1COc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2N1 14200312 PCVAWRCPUVJHDR-UHFFFAOYSA-N 351.362 2.397 0 40 FEAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 409116340 UVBVIQLKLKSJFO-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB O=C1C[C@H](C(=O)N2CCc3ccccc32)CN1c1ccc2c(c1)OCCO2 5672498 JKEGQFBSKDGNSB-HNNXBMFYSA-N 364.401 2.400 0 40 FEAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 6749055 RNLHNVDRDBOEML-UHFFFAOYSA-N 371.416 2.378 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 66948611 HXJPAUZEQJGWGK-RBUKOAKNSA-N 357.498 2.020 0 40 FEAB Cc1cccc(-n2nnnc2SCc2nc3ccccc3c(=O)[nH]2)c1 5901056 VJTJCYTWFBSSHG-UHFFFAOYSA-N 350.407 2.500 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCc2ccccc21 7280990 MRMXLFHRRZKLFM-AWEZNQCLSA-N 362.389 2.402 0 40 FEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCc2ccccc21 9048573 MLFYGKXYDNOEDR-UHFFFAOYSA-N 359.451 2.013 0 40 FEAB CC(C)(C)OC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 71327724 WMNWADKUAXBTBI-UHFFFAOYSA-N 362.407 2.208 0 40 FEAB CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)cc1 9238702 PMBGVPYCKBZZBH-HUUCEWRRSA-N 361.471 2.223 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)/C=C/c2ccc(Cl)cc2)no1 96001024 LGTOZHCVFMDFRI-BTKRWWFXSA-N 363.801 2.483 0 40 FEAB Cc1cccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)c1 9338112 NDWMKTRGAYUSAS-UHFFFAOYSA-N 351.410 2.325 0 40 FEAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 9367741 XFNQHRDQWUATRR-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB COc1ccc(/C=C/C(=O)N2C(=O)c3cccc(N)c3C2=O)cc1OC 9476823 BTLHWHFXBMYAJB-VQHVLOKHSA-N 352.346 2.122 0 40 FEAB COc1ccc(CNC(=O)c2nn(C)c(C)c2Br)cc1OC 28304278 JUFXXXUPSAYWRX-UHFFFAOYSA-N 368.231 2.438 0 40 FEAB COC(=O)c1cccn2cc(CSCC(=O)Nc3ccccn3)nc12 72313677 RUOXJTVUFVSPBV-UHFFFAOYSA-N 356.407 2.388 0 40 FEAB COC(=O)[C@H](O)CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 95453152 DNRAEVQQHFWXSV-OAHLLOKOSA-N 351.305 2.021 0 40 FEAB O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 95442229 SICMOZNVDVUPDH-HUUCEWRRSA-N 356.419 2.026 0 40 FEAB O=C(Nc1cnn(-c2ccncc2)c1)C(=O)Nc1ccc(F)c(F)c1F 95461248 NGDJLKHYYWIOOI-UHFFFAOYSA-N 361.283 2.262 0 40 FEAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(C=O)CC3)nc2C1 20672660 QFAHGSPBYFYJOT-MRXNPFEDSA-N 364.449 2.285 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1 9911247 IUUILABOQRENEC-QGZVFWFLSA-N 362.389 2.270 0 40 FEAB COC(=O)c1cnc(N(C(=O)c2cccc(-n3cncn3)c2)C2CC2)s1 78877705 HXXAHALDCRCSEH-UHFFFAOYSA-N 369.406 2.320 0 40 FEAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2n[nH]cc2C(=O)O)cc1 554529118 SGLVSKNJWYACGV-CQSZACIVSA-N 365.411 2.032 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2ccc(C)c(F)c2)nc(=O)[nH]c1C 31618211 RKPFNLOCZRKQKM-UHFFFAOYSA-N 365.386 2.043 0 40 FEAB O=C1COc2ncc(C(=O)NC[C@@H]3CCO[C@H]3c3ccc(F)cc3)cc2N1 547692327 IVXBRHGWHDVDNI-SJCJKPOMSA-N 371.368 2.059 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2ccccc2)C[C@H](Cc2ccccn2)C1 72355097 FRIHGCQZZXNYEU-LJQANCHMSA-N 351.450 2.174 0 40 FEAB CC(C)N1CCO[C@H](Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)C1 530250998 NOKLHMIKZKNYHS-SFHVURJKSA-N 352.442 2.240 0 40 FEAB COC(=O)C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 36423801 ALQXXUHPEAESLZ-JTQLQIEISA-N 361.391 2.263 0 40 FEAB COc1cccc(Cn2nc3n(c2=O)-c2ccccc2C2=NCCCN23)c1 72342129 YHYXNNCRCUQKJD-UHFFFAOYSA-N 361.405 2.061 0 40 FEAB O=C(COc1ccccc1F)NCC1CCN(C(=O)c2cccnc2)CC1 70926700 XPFJQRLXQOVGKQ-UHFFFAOYSA-N 371.412 2.268 0 40 FEAB CC(C)Cc1nnc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)s1 72402072 WYZZSILIPDSUCQ-UHFFFAOYSA-N 366.838 2.107 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 41573608 VGHKQLNPFZBGNI-UHFFFAOYSA-N 369.468 2.353 0 40 FEAB COCCNC(=O)CCCOc1nn(C)c2ccc(Br)cc12 226865119 IAAOOQRSTUOZKI-UHFFFAOYSA-N 370.247 2.257 0 40 FEAB COC(=O)c1cccc(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1 40009481 KKAFXFBQXJIJDE-UHFFFAOYSA-N 369.421 2.291 0 40 FEAB Cc1ccnc(-n2nccc2NC(=O)N2CC[S@@](=O)C(C)(C)CC2)c1 333902563 TWRJUQCQESTZED-RUZDIDTESA-N 361.471 2.341 0 40 FEAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CC[C@H]2C=CC=C[C@H]21 230005939 UPKRWRCVVLFEKN-VIGJRRFGSA-N 361.419 2.298 0 40 FEAB Cc1nc(-c2noc3ccc(C(=O)NCCN4CCOCC4)cc23)cs1 96154418 AUJXXADTOUHBJW-UHFFFAOYSA-N 372.450 2.322 0 40 FEAB O=C(O)[C@H]1[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 98089164 NQSYYVTUCHIRTM-QZTJIDSGSA-N 353.374 2.455 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c(C)o1 96055190 MNJJWEFDGGCFGW-NVXWUHKLSA-N 356.426 2.054 0 40 FEAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O 97531382 XZDIBCIRVAKPNF-CQSZACIVSA-N 351.406 2.085 0 40 FEAB biogenic COc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 95117156 NWCKNRBEELWVEA-HNNXBMFYSA-N 365.451 2.064 0 40 FEAB Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 96040178 DYNHYPXGSFAQGI-WOJBJXKFSA-N 356.470 2.403 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cnccn2)C3)n1 247855465 CNDDUWKIIOORLT-HNNXBMFYSA-N 356.451 2.097 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)CN)cc1 242522182 IKTCSXCRBBOLAE-BRWVUGGUSA-N 350.871 2.244 0 40 FEAB COC[C@H]1CN(C(C)=O)CC12CCN(CCOCc1ccccc1)CC2 247913629 FBVCIUZEKZIYFG-HXUWFJFHSA-N 360.498 2.410 0 40 FEAB CCn1nc(C(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)cc1C 257200518 ADQYHZFUSLDKPL-GOSISDBHSA-N 355.442 2.220 0 40 FEAB NC(=O)C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 585084044 KGYMCPRJVZLCRA-ZDUSSCGKSA-N 350.846 2.112 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccnnc3)CCO2)n1 257276665 NUQVDWMIDCMWES-QGZVFWFLSA-N 365.393 2.357 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@@H](CCc2ccncn2)C1 257200812 AEZRYWZRQOTVPK-FQEVSTJZSA-N 351.450 2.368 0 40 FEAB COC(C)(C)C(=O)N1CCC(c2nccnc2Nc2cnccn2)CC1 257211871 CAWPCONRGRAUEL-UHFFFAOYSA-N 356.430 2.141 0 40 FEAB COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 285208264 WYGYDYRQXYKZLX-RDJZCZTQSA-N 368.424 2.307 0 40 FEAB CO[C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 617803980 SQLUUIYNSRVCDG-KRWDZBQOSA-N 353.369 2.124 0 40 FEAB CN1CCCC[C@@H]1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112235 NGOUDZWVDVFEPT-MOPGFXCFSA-N 368.481 2.146 0 40 FEAB COc1ncccc1CCNC(=O)N1Cc2cnn(C)c2CC(C)(C)C1 685938934 QIQNRDCBVJDBKB-UHFFFAOYSA-N 357.458 2.160 0 40 FEAB O=C(COc1cccc(Cl)c1)NC[C@@]1(N2CCOCC2)CCSC1 52845161 VOVNDKBBEFHMOJ-KRWDZBQOSA-N 370.902 2.043 0 40 FEAB CC(C)n1cnnc1CCNC(=O)Nc1ccc(C(=O)NC2CC2)cc1 72314438 ZGVFAWWABXCLEB-UHFFFAOYSA-N 356.430 2.115 0 40 FEAB CCNc1nc(NCC)n2nc(SCC(=O)Nc3ccccc3)nc2n1 5672447 QFGNSAXMNNKJKH-UHFFFAOYSA-N 372.458 2.114 0 40 FEAB COc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1 13097002 MKDZPXAQJKNEQO-UHFFFAOYSA-N 359.401 2.021 0 40 FEAB Cc1nc2ncnn2c(N2CCC[C@@H](C(=O)O)C2)c1Cc1ccccc1 13564065 FESSWIFNACTQTR-OAHLLOKOSA-N 351.410 2.325 0 40 FEAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H]4CCOC4)nn3cn2)cc1 19575518 HXFPAVIQQVTYRS-OCCSQVGLSA-N 367.409 2.014 0 40 FEAB CC(C)C(=O)NCCc1nc(N[C@H](C)c2ccccc2)ncc1C(N)=O 19697247 RLTXUXFURYNIDG-CYBMUJFWSA-N 355.442 2.063 0 40 FEAB CCOC(=O)[C@@](NCc1ccccc1OC)(NC(=O)CC)C(F)(F)F 19939222 ALNHWZWRTNKUKB-OAHLLOKOSA-N 362.348 2.133 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169616571 JPUFBYQNQKVOGO-OXIQGZBJSA-N 373.714 2.164 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)[C@@H]2CCCO2)CC1 1888856499 FADLPIPOUYLVET-SFHVURJKSA-N 373.428 2.262 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)Cc2cccnc2)C3)nc1 1888867034 AZZPKBIHVGWNOB-FXAWDEMLSA-N 352.438 2.430 0 40 FEAB CCN=c1nc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc(C)[nH]1 1888879137 TYVSHQWTINNLQS-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)cc1F 2056220032 GVYGAIBWJIPZAZ-UHFFFAOYSA-N 363.433 2.029 0 40 FEAB Cc1ccccc1C(=O)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565545226 BTNOZYPZRVYMQU-UHFFFAOYSA-N 350.422 2.444 0 40 FEAB CCOC(=O)c1c(SCC(=O)c2ccc(OC)cc2)nc(=O)[nH]c1C 4317618 GXHQSVQSHCQFHP-UHFFFAOYSA-N 362.407 2.239 0 40 FEAB CN1CCCc2cc(CCNC(=O)C(=O)NCCc3ccccc3)ccc21 13006840 JFAMJZBOMYMGOP-UHFFFAOYSA-N 365.477 2.087 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)C2(c3ccc(F)cc3)CC2)cn1 575621210 ZCLIAMZCPXHGNA-UHFFFAOYSA-N 351.385 2.364 0 40 FEAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cc(Cl)ccc1OC)CC2 278733387 IDLVXNGDJGHRSP-GFCCVEGCSA-N 373.858 2.312 0 40 FEAB COc1ccccc1C1(C(=O)NC[C@@H]2CCCN2c2ncccn2)CC1 618257472 XJPJEVNDFDAHQO-HNNXBMFYSA-N 352.438 2.302 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1 4121159 SKDVTPKUVPJQLX-UHFFFAOYSA-N 357.391 2.493 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 40012897 IPGNYTQPCVARPW-HXUWFJFHSA-N 364.405 2.112 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)[nH]c3ccccc23)n1 11169740 LEZBQYKDJZFNMB-UHFFFAOYSA-N 357.391 2.343 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(OC)cc(OC)c2)n1 11443714 KVHCOVYGNJXUNW-UHFFFAOYSA-N 363.439 2.470 0 40 FEAB CNC(=S)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1224597 NAOAWTHPJXQJPL-UHFFFAOYSA-N 368.462 2.438 0 40 FEAB CC(=O)O[C@H](C(=O)Nc1ccccc1)[C@H](C)S(=O)(=O)c1ccccc1 1277464 GPJGVXURDZKZNZ-GUYCJALGSA-N 361.419 2.419 0 40 FEAB COCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1 4161498 UWLRKYMDCJOPAF-UHFFFAOYSA-N 362.411 2.186 0 40 FEAB COCCNC(=O)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(C)C 4902094 CZBKVQPENRDSAJ-SECBINFHSA-N 355.243 2.394 0 40 FEAB COC(=O)c1cc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)oc1C 46263762 XFVCRXLBJGDPFU-UHFFFAOYSA-N 356.378 2.214 0 40 FEAB COc1cccc(CNC(=O)c2nn(-c3ccccc3C)nc2CO)c1 21148995 YFWIFIZKCBPADR-UHFFFAOYSA-N 352.394 2.007 0 40 FEAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8297998 UDENJIKMLYLPJA-KSZLIROESA-N 353.470 2.180 0 40 FEAB biogenic,in-vitro COc1ccc(CC(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 32906103 JKRRUZJIOSVBDQ-UHFFFAOYSA-N 356.397 2.361 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(C(C)(C)C)n[nH]2)CC1 22748597 SZKWGVMVEILPCF-NSHDSACASA-N 368.503 2.385 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1cccc(Br)c1 33042002 VDANGQMSWDSQTN-PWSUYJOCSA-N 354.248 2.417 0 40 FEAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cc(Cl)ccc1Cl 20635180 LEGIZPRHPGEKRY-VHSXEESVSA-N 363.222 2.007 0 40 FEAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCOCC2)CC1 41595230 FIPRPFUPWWHFMH-UHFFFAOYSA-N 370.371 2.416 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 664116 YQEOFARGQWXGFM-UHFFFAOYSA-N 354.472 2.201 0 40 FEAB COc1ccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)cc1 28535583 CMYUWQGLEUBHLY-UHFFFAOYSA-N 355.423 2.397 0 40 FEAB CN(Cc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cn1 23990193 QSQRWQCLCPDGRQ-UHFFFAOYSA-N 356.245 2.128 0 40 FEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1ccccc1Br 37591606 IUEINUJSPYIJCF-VIFPVBQESA-N 350.234 2.323 0 40 FEAB in-vitro CN(C)S(=O)(=O)c1ccc(OCCSc2nncn2C2CC2)cc1 24965224 XUPKAKPGKULXLS-UHFFFAOYSA-N 368.484 2.034 0 40 FEAB C[C@H]1CCCN(C[C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 55401932 KBOSIPKOOZNNNK-LSDHHAIUSA-N 356.470 2.092 0 40 FEAB COc1cc(NC(=O)CCc2cccnc2)c(C(=O)N(C)C)cc1OC 25217852 CFQIJZCHKXSZTQ-UHFFFAOYSA-N 357.410 2.372 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2cccs2)C1=O 57336985 KPXNTSCJVZJSQM-SFHVURJKSA-N 371.418 2.209 0 40 FEAB CCCN(CCC)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 58072700 NXRBDWZGOQZTSZ-UHFFFAOYSA-N 359.514 2.388 0 40 FEAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc12 10233550 QBZVLAQWUJHZQP-LLVKDONJSA-N 373.457 2.044 0 40 FEAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 58357302 DKXKMUDVZOXPPX-UHFFFAOYSA-N 371.412 2.361 0 40 FEAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1 2219442 RHPAAADXYCFTAE-UHFFFAOYSA-N 350.454 2.117 0 40 FEAB CC(=O)N[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cc(C)on1)c1cccs1 12704785 OSPPWNIJRALDSL-JQWIXIFHSA-N 365.411 2.182 0 40 FEAB CC(C)CNC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12808096 UNURUOFHIWHBQJ-UHFFFAOYSA-N 360.454 2.125 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 13003851 HCKZEGBXYVWCGS-GHMZBOCLSA-N 363.366 2.096 0 40 FEAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2nsnc2c1 13325095 WUISVOFGGJYRDU-UHFFFAOYSA-N 353.451 2.452 0 40 FEAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 13541487 URRIXXPPOGLKIY-UHFFFAOYSA-N 365.437 2.411 0 40 FEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCc1c[nH]c2ccccc12 8373292 KCFHTLBSAWHJIT-UHFFFAOYSA-N 365.220 2.390 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)NC2CCCC2)C1=O 8328133 UQXVESKNDPLQKH-XCLFUZPHSA-N 373.453 2.300 0 40 FEAB COc1cc(C2=NO[C@H](C(=O)Nc3cc(C)on3)C2)cc(OC)c1OC 5030850 PUMGHWIWFFPEHP-AWEZNQCLSA-N 361.354 2.141 0 40 FEAB COc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC 4295315 ITOSKLTULUAWTA-UHFFFAOYSA-N 369.381 2.128 0 40 FEAB O=C(NCCN1CCOCC1)c1c(-n2cccc2)sc2c1CCCC2 14189990 WREQWUFYQAGDNE-UHFFFAOYSA-N 359.495 2.480 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)COCc2ccco2)CC1 8697003 MPOUNSPASUVAQJ-MRXNPFEDSA-N 371.437 2.137 0 40 FEAB COc1cc(C[C@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[nH]2)ccc1O 5518405 JYYADJTXVVXLBN-HNNXBMFYSA-N 367.409 2.496 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)o2)cc1 14672994 FWCUWUMWFPDNIN-TXEJJXNPSA-N 363.439 2.473 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ccccn1 5622289 YAFAEVIAEKEZGI-UHFFFAOYSA-N 361.442 2.478 0 40 FEAB O=C(CSCc1nnnn1-c1ccccc1)NCc1ccc(F)cc1 6850486 FXFOGHSSUIRBGI-UHFFFAOYSA-N 357.414 2.351 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 5883135 LNVVJHHBLJADBD-UHFFFAOYSA-N 374.871 2.391 0 40 FEAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)c1 6946260 AFVKLQUWKPUGJS-FQEVSTJZSA-N 373.453 2.301 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)cc2)cc1 408551430 HUZYGHMEBBVUCY-UHFFFAOYSA-N 355.394 2.087 0 40 FEAB CN1CCN(Cc2ccccc2Oc2nc3c(cc2C(N)=O)CCC3)CC1 67881844 AFKYBNAJSREJJX-UHFFFAOYSA-N 366.465 2.209 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC2 16058968 UUBZVGFITATMFS-UHFFFAOYSA-N 373.430 2.374 0 40 FEAB COC(=O)C[C@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccccc1 16139686 AVEXTAQRBZPAON-SFHVURJKSA-N 368.433 2.454 0 40 FEAB CN(Cc1ccc(/C=C/C(=O)Nc2cccc(F)c2)o1)S(C)(=O)=O 20449896 LXBYKUZYBRJKHI-CMDGGOBGSA-N 352.387 2.462 0 40 FEAB OCc1cn(-c2ccc(NCc3nc(-c4ccsc4)no3)cc2)nn1 96011648 IMHDBCXZHVEDDH-UHFFFAOYSA-N 354.395 2.483 0 40 FEAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9450050 WIRAHHJLRYVKQA-UHFFFAOYSA-N 374.503 2.190 0 40 FEAB Cc1cc(CNC(=O)CN2CCN(c3ccccc3O)CC2)ccc1F 84090190 WHELTJOCWZILQS-UHFFFAOYSA-N 357.429 2.278 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cn(C3CC3)c(=O)c3ccccc23)CC1 72405723 AMUJERFNZISOPY-UHFFFAOYSA-N 369.421 2.251 0 40 FEAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O 84734439 PWTQVCRACDLREC-IAGOWNOFSA-N 350.484 2.207 0 40 FEAB CN(CCc1cnccn1)C(=O)Nc1cccn(Cc2ccccc2)c1=O 95458248 XGAUMQSJDYPUJS-UHFFFAOYSA-N 363.421 2.393 0 40 FEAB CC(=O)OC[C@H]1CCCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 95433910 ZJJOLTCBSXLFSV-GOSISDBHSA-N 373.453 2.170 0 40 FEAB CC1(C)CN(S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC[S@]1=O 79092571 VHXCGTWYJGOFCS-FQEVSTJZSA-N 371.311 2.107 0 40 FEAB Cc1nc(CN2C[C@@H]3CN(Cc4cccs4)C[C@@H]3S2(=O)=O)cs1 306126935 FJMSZJQDKVFZES-WFASDCNBSA-N 369.537 2.159 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccccc1F 21131696 HPBWNUNBIWGRQP-LBPRGKRZSA-N 374.343 2.500 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2cnc(CC3CC3)nc2)CC1=O 551376574 RBXUWISMKNODPJ-CQSZACIVSA-N 366.421 2.429 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2cnc(CC3CC3)nc2)CC1=O 551376573 RBXUWISMKNODPJ-AWEZNQCLSA-N 366.421 2.429 0 40 FEAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccoc1)C2 306134805 NYMVDBCXYVOKST-AWEZNQCLSA-N 359.401 2.429 0 40 FEAB NC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32836099 CCZZACCBYRIUSV-UHFFFAOYSA-N 350.277 2.125 0 40 FEAB CC(C)Cc1nnc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)s1 524733688 FWRWTDPQFRJOIL-NSHDSACASA-N 363.472 2.403 0 40 FEAB CC(=O)N1CCC(CCCc2cccc(Br)n2)(C(N)=O)CC1 72350838 PTRMOKISEJEINQ-UHFFFAOYSA-N 368.275 2.281 0 40 FEAB CN(C)CCN(CC1CCCCC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 48301560 JAJUMFJQZKFBEF-UHFFFAOYSA-N 370.497 2.436 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)CN(C[C@@H]1CCOC1)c1ccccc12 96241309 FKBMAISAVRKYNU-INIZCTEOSA-N 364.511 2.226 0 40 FEAB C[C@H]1CN(CC2CCOCC2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 96061304 VMSGVIJDWCJFDD-QKYXUNIQSA-N 350.503 2.199 0 40 FEAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2 96059481 OVTCYUALEAILRO-UHFFFAOYSA-N 367.428 2.307 0 40 FEAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cccs1)C2 96039755 RUSLCUHAPSHNIG-FUHWJXTLSA-N 352.500 2.224 0 40 FEAB COc1ccc([C@@H]2N=C(N)NC3=Nc4ccccc4[C@@H]32)c(OC)c1OC 95117695 FGSKGRHSNQNBAW-CABCVRRESA-N 352.394 2.499 0 40 FEAB O=C(Nc1cnn(C2CCOCC2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 96104603 AKQNRAATEUAELN-ZDUSSCGKSA-N 372.400 2.365 0 40 FEAB O=C1[C@@H]2[C@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C12CC2 245232382 UTCYAHAQXRHCRL-GHJXSFNDSA-N 366.461 2.431 0 40 FEAB N[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688282 VMUCPUKAESXWIB-ARFHVFGLSA-N 355.818 2.109 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1CC1CCOCC1 253591126 JYBZTWQPHNPPLX-HNNXBMFYSA-N 369.469 2.011 0 40 FEAB CC(C)CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@H]1Cc1ccccc1 257320807 VYTIYNKZRQRMTG-GOSISDBHSA-N 357.498 2.054 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)n1 257205160 AXXBNLJZLLJPTH-SFHVURJKSA-N 355.442 2.302 0 40 FEAB CNc1cc(CC[C@H]2CN(C(=O)c3cccnc3OC)CCO2)ccn1 257314336 UWNMOPXDZPEHCY-HNNXBMFYSA-N 356.426 2.001 0 40 FEAB C[C@]12CCCCN(Cc3ccc(S(C)(=O)=O)cc3)[C@H]1CCC(=O)N2 257270074 MSRKRBJRYWOBMK-WMZOPIPTSA-N 350.484 2.113 0 40 FEAB Cc1ccc(N2CC[C@@H](c3n[nH]cc3CNC(=O)C=C3CCC3)C2)nn1 1775959862 CTTMFAAGPORKCB-OAHLLOKOSA-N 352.442 2.229 0 40 FEAB CN1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CC1 600969165 JFXYQPSJMQYBMD-UHFFFAOYSA-N 366.437 2.198 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2ncoc2C)[C@H]1Cc1cccc(F)c1 585277125 LPTHLSOKFZKLKT-IRXDYDNUSA-N 359.401 2.474 0 40 FEAB O=C(N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 685940145 XWKRJKHBJDIQNV-IAGOWNOFSA-N 356.397 2.472 0 40 FEAB O=C(CSc1ncccn1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 90590754 CZKVVSTYFOUTPV-SECBINFHSA-N 373.360 2.377 0 40 FEAB Cc1nc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)co1 1615161215 WZDQFYMJTILELX-LJQANCHMSA-N 355.394 2.021 0 40 FEAB Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccn(C)n3)nn2c(O)c1C 12161593 CHFJQIOGWVNZQC-HNNXBMFYSA-N 354.414 2.153 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12183454 XWXCQNFLYWLQLC-OAHLLOKOSA-N 357.454 2.002 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1OCOc2ccccc21 12203497 ZJAQRNSVSRPVCV-SFHVURJKSA-N 368.389 2.205 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12408280 NYIDSBWWFVVTDI-HZPDHXFCSA-N 355.438 2.315 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 13123522 IPCFXFGBLNKHLA-KRWDZBQOSA-N 362.393 2.026 0 40 FEAB Cc1c(C(=O)N2CCOCC2)cnc2nc(-c3ccccc3Cl)nn12 14608455 IOAAUJDPUGQNFM-UHFFFAOYSA-N 357.801 2.226 0 40 FEAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4)c(=O)[nH]c32)c1-c1ccccc1 17075848 LUCWDTNFVPFHBQ-UHFFFAOYSA-N 370.372 2.092 0 40 FEAB CCn1cc(C(=O)N2CCC(c3c[nH]nc3C)CC2)c(-c2cnn(C)c2)n1 606443322 GLTVUPBEXVRLEQ-UHFFFAOYSA-N 367.457 2.355 0 40 FEAB COCCC(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H]2[C@H]1CCCN2C(C)=O 19017700 NQQSDCPQEZUVLQ-QWFCFKBJSA-N 360.454 2.037 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1CCC(C)CC1)CC2 12738423 KUFXRNQIANFWAQ-UHFFFAOYSA-N 354.472 2.039 0 40 FEAB Cc1nc(C(=O)N2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)cs1 1614933904 KMOJCVWVILUBNO-SFHVURJKSA-N 374.466 2.321 0 40 FEAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@@H]21 1565549476 XVVJZVNCFDBNEJ-HQYUYXFKSA-N 363.527 2.015 0 40 FEAB CCCCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072068 WQBVZCSJOQQTTR-UHFFFAOYSA-N 367.453 2.256 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)s1 22767354 KVQJMMGPMZFWLL-CQSZACIVSA-N 372.537 2.470 0 40 FEAB Cc1cc(OC2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)cc(=O)o1 206959601 OMXKCSGYTYVWKY-UHFFFAOYSA-N 351.362 2.242 0 40 FEAB CCOc1ccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482884 YJFLUZBEHCCWMK-UHFFFAOYSA-N 351.366 2.165 0 40 FEAB CC(C)c1ccc(Cc2n[nH]c(NCCCN3CCOCC3)nc2=O)cc1 16806921 PITGGBOPLJRWSS-UHFFFAOYSA-N 371.485 2.013 0 40 FEAB CN(CCCNC(=O)c1cc2c(s1)CCCCCC2)S(C)(=O)=O 40089398 FJPLDJWRQHSUEI-UHFFFAOYSA-N 358.529 2.418 0 40 FEAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@H]1c1ccc2c(c1)OCO2 3194078 DLCKIIZLTMMIAU-NSHDSACASA-N 374.340 2.314 0 40 FEAB CC(=O)N1CCN(C(=O)COC(=O)c2sccc2-c2ccccc2)CC1 11523226 HAOYJXRDVMBMJC-UHFFFAOYSA-N 372.446 2.263 0 40 FEAB O=C(CCNS(=O)(=O)Cc1ccccc1)N1CCc2sccc2C1 52116954 YPCFLXLWSABNBT-UHFFFAOYSA-N 364.492 2.143 0 40 FEAB O=c1[nH]nc(SCCCOc2ccc(F)cc2)n1C[C@H]1CCCO1 60384697 AORKPUZKYLBDRK-CQSZACIVSA-N 353.419 2.451 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 8085329 ARULLUUBPJKASX-AWEZNQCLSA-N 368.499 2.452 0 40 FEAB CC(C)[C@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 32858206 XMORCXPHRAUTPQ-HNNXBMFYSA-N 350.419 2.097 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 32818255 GHPUWACBFQNHLK-ZDUSSCGKSA-N 353.378 2.144 0 40 FEAB O=C1COc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2N1 21888329 OILKGLQJXUKZLI-UHFFFAOYSA-N 353.378 2.106 0 40 FEAB CCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 57449930 LDPNWCLWIMYUJC-UHFFFAOYSA-N 366.421 2.392 0 40 FEAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCC1 1107690 CNQNAEQPTAGWAC-CQSZACIVSA-N 354.447 2.239 0 40 FEAB Cc1sc(=O)n(CC(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c1C 108726243 ZKOVYUNYEUHTLA-UHFFFAOYSA-N 370.438 2.018 0 40 FEAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccccc1F 44723807 RKEWYVBRHODWFD-GFCCVEGCSA-N 363.414 2.129 0 40 FEAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC2CCCCC2)c1 44920538 UUAQQABDJLADKE-UHFFFAOYSA-N 354.410 2.039 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCCn2c(C)nc3ccccc32)cc1 10737343 UPDJCSYFNAZDTI-UHFFFAOYSA-N 350.422 2.199 0 40 FEAB CC[C@@]1(C)Cc2c([nH]c3nc(NN)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2304757 ZMQKAKXUYBXXLW-IBGZPJMESA-N 369.425 2.249 0 40 FEAB Cn1cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)ccc1=O 81645196 YTFTWUOSZNCBFH-HNNXBMFYSA-N 365.433 2.142 0 40 FEAB COC(=O)CCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12817750 YDZNRCVKXXRELE-UHFFFAOYSA-N 371.437 2.196 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1C 12864652 VDEWYEQRWSVOAR-KRWDZBQOSA-N 374.462 2.362 0 40 FEAB CCOc1c(Cl)cc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 12972491 AIXPLJXPHPZOFG-ZYOFXKKJSA-N 373.858 2.064 0 40 FEAB COc1ccc(CC(=O)N2C[C@H](C(=O)O)Oc3ccccc32)cc1OC 13435361 QXBQZXRYCMVOLO-QGZVFWFLSA-N 357.362 2.125 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cccnc1 49544979 XQRLUVXEFQYYRP-AWEZNQCLSA-N 371.416 2.080 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13683483 OOPFFGMKWWRUMS-BBRMVZONSA-N 355.438 2.416 0 40 FEAB CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)s1 13844524 NOWLLIHUVLMWON-JQWIXIFHSA-N 354.476 2.264 0 40 FEAB O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 14021251 GPHGDKMEDFULRJ-UHFFFAOYSA-N 371.462 2.459 0 40 FEAB CCCCN1CCCC[C@@H]1CNC(=O)Nc1ccc(-n2cncn2)nc1 65516057 MTTYOOXQTKYKRJ-MRXNPFEDSA-N 357.462 2.438 0 40 FEAB NC(=O)CN1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 14119657 BNRSJGVGAJHUJW-UHFFFAOYSA-N 353.422 2.158 0 40 FEAB O=c1c2oc3ccccc3c2ncn1Cc1cc(=O)n2ccsc2n1 5563391 RKCMXZMTDYBOFF-UHFFFAOYSA-N 350.359 2.260 0 40 FEAB COc1cccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 4996214 GWKUQZXCOXXPDI-UHFFFAOYSA-N 362.451 2.415 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(OC)cc2OC)C1=O 9009424 TWKOIVMTQNXHAN-PTNGSMBKSA-N 361.398 2.268 0 40 FEAB Cc1cccc2sc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)nc12 9884006 BUNVRMYVDQIMOT-UHFFFAOYSA-N 366.402 2.247 0 40 FEAB O=C1COc2cc(C(=O)Nc3ccc(N4CCOC4=O)cc3)ccc2N1 84414538 UMUOJWLLQKCJNW-UHFFFAOYSA-N 353.334 2.226 0 40 FEAB CC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 95369502 GXWLIHCIEXXMPR-KRWDZBQOSA-N 361.419 2.172 0 40 FEAB C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCS1(=O)=O 76315148 ZAWOCLRDIHBKBO-OLZOCXBDSA-N 359.513 2.180 0 40 FEAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@@H]1CCOc2ccccc21 76874846 JPGHSNVKBWLNQX-GOSISDBHSA-N 365.433 2.369 0 40 FEAB COc1cc(F)ccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 25312935 KMZMEIPKJYPEJV-UHFFFAOYSA-N 370.388 2.127 0 40 FEAB CC(C)Cn1ccnc1CNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 562855971 XUIFGNXHOFUXIT-JKSUJKDBSA-N 369.469 2.030 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1F 223937078 RMEKZEWBDAQKAD-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)nn1 570024943 BKUJMOXCIHEVCX-CXAGYDPISA-N 356.401 2.406 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222822401 OPGKIUGFZMQAHK-CQSZACIVSA-N 374.412 2.376 0 40 FEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1CCOC 223001897 QBMBWJBRDCLPSF-SJORKVTESA-N 360.483 2.148 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2cnn(C)c2-n2cccc2)nc1C 49543868 DSYCFMOCFCNUKM-UHFFFAOYSA-N 359.411 2.405 0 40 FEAB CCOc1ccc(C(N)=O)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224819697 PPEWSFAAJIJGPT-UHFFFAOYSA-N 362.451 2.313 0 40 FEAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(C(C)C)cc2)c1=O 222662607 PMQXYFZQDTWCMI-UHFFFAOYSA-N 359.426 2.189 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cnnc2)cc1 1584818733 OKFNKILKOYYHCR-UHFFFAOYSA-N 356.407 2.232 0 40 FEAB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225099175 WTVOZVIIUYRAOO-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB CN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96229762 IQFFWTSIGMEBQG-INIZCTEOSA-N 358.410 2.130 0 40 FEAB Cc1nc(CN2CC[C@@]3(CC(C(=O)NCc4ccco4)=NO3)C2)cs1 96225843 PDUXYZVDQYKKKW-QGZVFWFLSA-N 360.439 2.082 0 40 FEAB Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H]3c3cc[nH]n3)C2)nn1 332832352 SXGCWZQFSONLIR-NVXWUHKLSA-N 369.473 2.414 0 40 FEAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)c3cccn3C)C[C@H]12 96056305 YOAVZZFJBYKZIB-VDZJLULYSA-N 357.454 2.227 0 40 FEAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1 257342123 ZNDYQBPJGDYYED-LBPRGKRZSA-N 352.485 2.123 0 40 FEAB Cn1cncc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 257336962 YQUXPFMKARVPAL-AWEZNQCLSA-N 350.430 2.123 0 40 FEAB O=C(NC[C@H](O)CCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 543383371 KQWACMLRKXLCJD-IEBWSBKVSA-N 352.434 2.149 0 40 FEAB COc1ccc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc1OC 263631657 ZJZGNWYGVOZXTP-UHFFFAOYSA-N 369.402 2.284 0 40 FEAB CC[C@H]1OCC[C@@H]1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 1616028618 OGSANXAINPSEAD-JKSUJKDBSA-N 365.861 2.375 0 40 FEAB C=C(OC)C(=O)N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 1775960364 HLMRSYLWQQRNCZ-OAHLLOKOSA-N 368.315 2.324 0 40 FEAB Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 1775959703 QYPCDFNWGWHZKK-XHBKTUGNSA-N 356.474 2.007 0 40 FEAB CC(C)c1ccccc1OCC(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 614294316 QAHRXMQPBFEBAJ-UHFFFAOYSA-N 357.458 2.136 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN([C@@H](C)CC(=O)O)CC1 630222003 CIELJBARDPPABH-JTQLQIEISA-N 359.348 2.030 0 40 FEAB Cc1cc(OC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc(=O)n1C 575607431 TXLRILUMYLTVIO-UHFFFAOYSA-N 369.465 2.443 0 40 FEAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 585292870 SZWSYGJFPXGQGC-AATRIKPKSA-N 372.498 2.337 0 40 FEAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 585106149 RZXSKTZWAFZPFN-UHOSZYNNSA-N 369.509 2.385 0 40 FEAB CC1(C)Cc2n[nH]cc2CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 852967541 FXJVTYQRPZRMGY-UHFFFAOYSA-N 365.441 2.285 0 40 FEAB CCCS(=O)(=O)Nc1cccc(NC(=O)CSCCOC)c1C 58140227 NDRYOKMMLIUPAE-UHFFFAOYSA-N 360.501 2.465 0 40 FEAB CN1C(=O)C(C)(C)c2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)ccc21 659125706 LZTUFLFOHGKBTP-CQSZACIVSA-N 374.437 2.037 0 40 FEAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1ccsc1 1549161566 MIVMTFBOKWSRPR-RCCFBDPRSA-N 374.441 2.064 0 40 FEAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)C3CC3)C[C@H]1CO2 1772594467 CLMVLCQSJMOZBS-INIZCTEOSA-N 357.454 2.064 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)c4cnccn4)C3)nn2c1O 12134709 MYFXTQVIPPYYGC-ZDUSSCGKSA-N 366.425 2.116 0 40 FEAB CCc1cc2cc3c(cc2n2c(=O)n(Cc4cscn4)nc12)OCO3 12144867 JJAHNSYPOSHMPI-UHFFFAOYSA-N 354.391 2.445 0 40 FEAB Cc1ccc2nc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2c1 13789835 MRYGPQACSNQGPZ-NSHDSACASA-N 353.469 2.215 0 40 FEAB Cn1c(SCC(=O)NC(C)(C)C)nnc1[C@H]1COc2ccccc2O1 14092836 GLCLBGCNINQZBF-CYBMUJFWSA-N 362.455 2.334 0 40 FEAB Cc1ccc(S(=O)(=O)NC2=NCN([C@@H]3CCC[C@H](C)[C@H]3C)CN2)cc1 19339190 PQKMFLZHIKHBLP-ZMSDIMECSA-N 364.515 2.274 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)c3cn4cccc(C)c4n3)CC2=O)cc1 19718805 QAGNJZKRMKLXDB-CQSZACIVSA-N 364.405 2.187 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1 19752613 ICVPHMQQMQVFRX-MRXNPFEDSA-N 359.518 2.215 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1c1cnn[nH]1 622168668 JHPUAFKLKGAATI-SMDDNHRTSA-N 354.332 2.007 0 40 FEAB COc1ncc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cn1 575609097 YFCVRGXAOSZSCJ-UHFFFAOYSA-N 353.329 2.091 0 40 FEAB Cc1nc2ccc(OCC3CCN(C(=O)[C@@H]4CCOC4)CC3)nn2c1C 1888853024 REGMRZSJCPFQHJ-MRXNPFEDSA-N 358.442 2.000 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1 1565541672 LVDOWLWYYFWRIC-PMACEKPBSA-N 351.450 2.424 0 40 FEAB CCc1ncc2n1-c1ncccc1NC21CCN(C(=O)[C@H]2CCOC2)CC1 1565547585 LPXBPPYTQUDIBE-AWEZNQCLSA-N 367.453 2.109 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4cc[nH]c4)C3)C2=O)n1 1565552156 MBQRZSXPKFISNI-HXUWFJFHSA-N 352.438 2.373 0 40 FEAB O=C(c1csnn1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1565555527 JQCSGDXPARUAMX-UHFFFAOYSA-N 374.441 2.475 0 40 FEAB CCCNC(=O)Cc1csc(NC(=O)c2cc(OC)cc(OC)c2)n1 9659209 KOZBEBZGEZGFGC-UHFFFAOYSA-N 363.439 2.481 0 40 FEAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4c(C)nc5ccccn45)C[C@H]3O2)n[nH]1 2055772406 GNOHLNPFDUJKHR-RBSFLKMASA-N 366.425 2.062 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751173 PARJOHWYPIPUST-LJQANCHMSA-N 356.426 2.158 0 40 FEAB O=c1ccc(C2CC2)nn1CC1CN(c2nccc(C(F)(F)F)n2)C1 585603349 QAPORWBJVHCIAD-UHFFFAOYSA-N 351.332 2.066 0 40 FEAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2377490 ARIRVMSWRDGEGN-GTFRVERFSA-N 371.433 2.491 0 40 FEAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 30303971 SWINSWDRFRBZMS-CYBMUJFWSA-N 359.813 2.413 0 40 FEAB CCCNC(=O)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 40134401 BALDXQKPDBGRTD-KBXCAEBGSA-N 361.467 2.219 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc2c(cc1Cl)OCO2 2482017 GKYPGWIYYMMLSM-CYBMUJFWSA-N 354.815 2.425 0 40 FEAB O=C1C[C@@H](c2ccccc2)N2N=C(NC(=O)c3cccc(Cl)c3)NC2=N1 2439263 YYZCMWJMBCKGSP-AWEZNQCLSA-N 367.796 2.274 0 40 FEAB C[C@@H](NCc1ccccc1Cn1cccn1)C(=O)NC(=O)NC(C)(C)C 28889974 FBBANGBXLHOXLW-CQSZACIVSA-N 357.458 2.034 0 40 FEAB Cc1c(C)n(Cc2cccnc2)c2ncnc(NCCN3CCOCC3)c12 20573666 CRTOSQJFKIKFOP-UHFFFAOYSA-N 366.469 2.236 0 40 FEAB COc1cc(S(=O)(=O)Nc2cccc(F)c2)cc(C(=O)O)c1OC 45946181 KHJIJWTZMVFBPX-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 6158652 JQIKCQXYGWHDFW-KRWDZBQOSA-N 351.358 2.026 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6699656 ARQDFFWTCTZARQ-ATLSCFEFSA-N 360.429 2.217 0 40 FEAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 7223079 JAVXLQXJIWSCBV-GFCCVEGCSA-N 363.439 2.172 0 40 FEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc(Oc2ncccn2)c1 101720249 XUSJSYXGMPGIFX-ZDUSSCGKSA-N 351.362 2.462 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 7782852 BTLISHIGEDOUTH-UHFFFAOYSA-N 368.455 2.023 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 102231277 UBDREKUPTAWTRJ-CHWSQXEVSA-N 368.311 2.475 0 40 FEAB CCc1noc(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 21512442 OBAAQYYMWYTXHK-LLVKDONJSA-N 371.393 2.466 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1nc(-c2ccc(F)c(F)c2)cs1 32831597 FGUSUTYNIYLDRS-NOZJJQNGSA-N 370.402 2.238 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 32842304 HDPFMDCLQOLTOD-BLLLJJGKSA-N 370.384 2.176 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccnc1N1CCCC1 103253918 DQLFIJOURLUCGF-GJZGRUSLSA-N 370.453 2.186 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 22278957 QJXZZKLMVWIZOH-UHFFFAOYSA-N 362.407 2.194 0 40 FEAB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)cc1OC 12196206 BSWJKMUHXHTUHR-OAHLLOKOSA-N 372.421 2.465 0 40 FEAB biogenic Cc1sc2nc(CN3CCCCC3)nc(N3CCNC(=O)C3)c2c1C 23381109 SALBCQHJSMIBQR-UHFFFAOYSA-N 359.499 2.230 0 40 FEAB Cc1ccsc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 42671027 YWWAWYJPDJSPJX-INIZCTEOSA-N 372.446 2.181 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 105704791 TVXRZAUVSBBHKW-HEHGZKQESA-N 354.472 2.423 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1nnc2n1CCCCC2 106859428 YAKBYUWSBMZGKG-SNEKZUEESA-N 358.486 2.342 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)O)c12 26421266 KCKXKVJUYWGMOC-SNVBAGLBSA-N 361.379 2.058 0 40 FEAB CCCCN(C)C(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486041 FBBCAGUENGPMDV-UHFFFAOYSA-N 351.472 2.139 0 40 FEAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 1972559 QRAYWYMTSYJAAR-UHFFFAOYSA-N 372.764 2.118 0 40 FEAB CCOC(=O)N1CCC(NC(=O)Nc2cc(OC)cc(OC)c2)CC1 58225399 HFHSILUIEYQZBF-UHFFFAOYSA-N 351.403 2.446 0 40 FEAB CC(C)(CNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F 58266377 XWPHVZYWPYHOMA-UHFFFAOYSA-N 357.433 2.425 0 40 FEAB Cc1n[nH]c(-c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 58300939 OBSDKHQUHOWHHF-UHFFFAOYSA-N 371.422 2.404 0 40 FEAB O=C(CSc1nnnn1C1CC1)NCCc1ccc(OC(F)F)cc1 12924309 PDEOAAQQRONJDS-UHFFFAOYSA-N 369.397 2.060 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1OC(F)F 12903766 VOFPMQUSFZKXME-UHFFFAOYSA-N 353.325 2.188 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)on1 12942702 ULBQKOBYUCVDNT-UHFFFAOYSA-N 368.393 2.077 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600981 GGNHGADYOUOXSG-VBKZILBWSA-N 355.438 2.171 0 40 FEAB C[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 48743568 GENARUJSHZQSJZ-NOZJJQNGSA-N 374.363 2.254 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C[C@H]2Oc3ccccc3N(C)C2=O)c1 49657565 ROVGHKCKVDZDKK-QGZVFWFLSA-N 353.378 2.398 0 40 FEAB COc1ccc(OC)c2c1cc(C(=O)NCC(=O)Nc1nccs1)n2C 13727948 YCBTYEJZRRUEJG-UHFFFAOYSA-N 374.422 2.021 0 40 FEAB Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)o1 49951053 WHKKWICAJOTOON-NTEUORMPSA-N 357.391 2.449 0 40 FEAB CCC[C@H](NC(=O)CCC(=O)N1CCN(C(C)=O)CC1)c1ccccc1 39978563 XBFRRHZXARQGMY-SFHVURJKSA-N 359.470 2.115 0 40 FEAB COC(=O)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 5274705 MJTVBZTYQRRTCB-OAHLLOKOSA-N 357.435 2.377 0 40 FEAB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 14098604 UIOBHIICNLTHNE-VXGBXAGGSA-N 362.442 2.131 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-n2cncn2)cc1 14119862 AVPKUTCCDIPDJO-UHFFFAOYSA-N 353.357 2.117 0 40 FEAB COc1cc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nn[nH]n2)ccc1O 5519866 LHRZKLMPEZRZOB-CQSZACIVSA-N 353.382 2.187 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4839911 VANOQEJUZWQDFE-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(C)n3C)CC2=O)cc1 6859513 PEHBMQXHLNHQSO-HNNXBMFYSA-N 355.438 2.402 0 40 FEAB COc1ccc(CCNC(=O)CSCC(=O)Nc2nccs2)cc1 8881680 ROCWIXFCYSYMRG-UHFFFAOYSA-N 365.480 2.182 0 40 FEAB COC(=O)CNC(=O)CN(CCc1ccccc1)Cc1ccc(C)s1 16397211 ZKDPZFYKSIURIP-UHFFFAOYSA-N 360.479 2.390 0 40 FEAB COc1ccc(OC(F)F)c(NC(=O)NCc2ccnc(N(C)C)n2)c1 95463352 IACDJUIRXWMXBQ-UHFFFAOYSA-N 367.356 2.474 0 40 FEAB C[C@]1(C(=O)N2CCc3cncnc3C2)CCCN(C(=O)c2ccccc2)C1 95401650 NKEFTDDREPHMOM-NRFANRHFSA-N 364.449 2.304 0 40 FEAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(O)cc1F 95993001 APUIIKIGIVNANX-SFHVURJKSA-N 362.376 2.474 0 40 FEAB CN1C(=O)C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 89374741 RHRNQVYZSGDCCS-LAUBAEHRSA-N 368.408 2.391 0 40 FEAB Cc1noc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCc4ccccc43)c2)n1 75165600 ZROVULYSBNABCP-MRXNPFEDSA-N 350.378 2.010 0 40 FEAB Cc1cccc(-c2nnc(SCC(=O)Nc3ncc(C)s3)n2N)c1 409174090 LFSBMKFSLFMDSQ-UHFFFAOYSA-N 360.468 2.463 0 40 FEAB Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 510555727 XFRHZOVKQWMYTK-AWEZNQCLSA-N 365.430 2.343 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@H]3CCCO3)cc(C)c21 71195941 ZTDJAHCLMPGGKI-CYBMUJFWSA-N 366.483 2.096 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218499989 CGAXNVHIDJRLBD-XYJFISCASA-N 363.410 2.026 0 40 FEAB Cc1ccccc1OCC(=O)NCCN1CCN(c2ccccc2F)CC1 56997464 FMKHIQHUJMFUIA-UHFFFAOYSA-N 371.456 2.451 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 73743139 DXCQLQIJYQEFNL-CYBMUJFWSA-N 368.275 2.297 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1c(C)[nH]c2ccc(F)cc12 44902615 ZLKUGODWIKMFOQ-UHFFFAOYSA-N 371.416 2.263 0 40 FEAB CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 225480279 RMWVPXNGVBWRHK-YOEHRIQHSA-N 372.446 2.064 0 40 FEAB biogenic,in-vitro CCOc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccccc2)cc1 225164026 PRWQVRUKWJIRLK-KRWDZBQOSA-N 363.435 2.402 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3ccccc3F)nc2s1 41078225 BTNDKGUOZSIHKQ-UHFFFAOYSA-N 363.370 2.184 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107402 QFWIDKUHAQDCCT-KUHUBIRLSA-N 359.401 2.402 0 40 FEAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cccnc3)C2)C1 96220596 CACZKMDHAPHSJJ-PZJWPPBQSA-N 352.482 2.447 0 40 FEAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccoc2)Cc2cccn2C1 247470621 FISHRAXEOHGRMJ-SFHVURJKSA-N 350.422 2.425 0 40 FEAB C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 249554373 LPNMDWJLJJQHOW-GJYPPUQNSA-N 372.513 2.242 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515155 HQWCVMQDADPXSM-QWFCFKBJSA-N 373.474 2.443 0 40 FEAB CCCN(CCN1CCCC1)C(=O)c1ccnc(N2CCO[C@H](C)C2)c1 585082472 XRZXXBFVIYBTST-QGZVFWFLSA-N 360.502 2.255 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 257344460 ZXHOSSOVTXPHNS-KRWDZBQOSA-N 350.378 2.253 0 40 FEAB Cc1cc(C)n(CCCC(=O)NCc2ccnc([C@H]3CCCOC3)n2)n1 257249768 JJRKCWBDAFASSA-INIZCTEOSA-N 357.458 2.281 0 40 FEAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]32)cn1 257244109 IJWXOQOMJNZRBA-OWCLPIDISA-N 355.442 2.377 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cccc(Cl)c2F)C1 643719759 JJBJNPDKPQFNHD-KOLCDFICSA-N 359.810 2.353 0 40 FEAB Cc1nnc(CN2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)n1C 1775973615 KVZOBWFBFSIGHO-STQMWFEESA-N 365.279 2.451 0 40 FEAB CCc1ccc(C(=O)N2CCN(C(=O)C3CC3)C3(CCOCC3)CC2)o1 1775962842 NQMHUCRUPYJHMA-UHFFFAOYSA-N 360.454 2.476 0 40 FEAB Cc1cccc([C@@H](C)CNC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 585088678 VOSIUDVEANHHSG-OXJNMPFZSA-N 361.486 2.113 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3nc(C)no3)C2)cc1 585276125 KANJWGNXPYNRKJ-IBGZPJMESA-N 359.426 2.052 0 40 FEAB O=C(CN1CCC(O)(COc2ccccc2F)CC1)NCc1ccccc1 585272224 HDDMQIIOXWKHNC-UHFFFAOYSA-N 372.440 2.348 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCCc3ccc(O)cc3)ccc2N1S(C)(=O)=O 54632411 JURKRBSCPQDWNP-ZDUSSCGKSA-N 374.462 2.075 0 40 FEAB COCCCNC(=O)[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 56177447 XDMDGLBYVDPXGP-KFWWJZLASA-N 367.465 2.392 0 40 FEAB CCN1CCN(C[C@@H](C)CNCc2cnn(-c3ccc(F)cc3)c2)CC1 105440994 WQCGGGCWEWHRIB-KRWDZBQOSA-N 359.493 2.375 0 40 FEAB CC(C)CN1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1 107362906 QLGHUPGMYUCMOM-VQTJNVASSA-N 371.525 2.314 0 40 FEAB CCOc1ccc(CC(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1 170203867 FZGXLHZANTZALD-QGZVFWFLSA-N 359.422 2.495 0 40 FEAB Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 5084240 PWWZYYAVINMZJY-SECBINFHSA-N 359.817 2.173 0 40 FEAB CSC1CCN(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 602309233 LEUAXVXINQDDDI-CQSZACIVSA-N 351.520 2.234 0 40 FEAB Cc1cc2nn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2cc1N 226305630 VFIZCVDLXADVMV-UHFFFAOYSA-N 371.466 2.486 0 40 FEAB COc1ccccc1[C@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2c2nc(C)no2)C1 637548178 DHZCIDBHBBZYJF-LXZKKBNFSA-N 372.425 2.416 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2cc(C)no2)C[C@]12C[C@@H](c1ccccc1)CO2 643586084 XSYHMTYBDPPBLC-YVWKXTFCSA-N 356.422 2.326 0 40 FEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C3CCCC3)c2n1 8946360 LNTLOQMRZFTZKV-UHFFFAOYSA-N 374.514 2.455 0 40 FEAB Nc1nc(SCc2nc(-c3cccc(Br)c3)no2)n[nH]1 7897252 WPZHPVCDKVIQHR-UHFFFAOYSA-N 353.205 2.492 0 40 FEAB CCCNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 6559292 QVWJDXYZMPPOMH-UHFFFAOYSA-N 367.427 2.381 0 40 FEAB CC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7511974 JGOBDXQYRZHJBB-UHFFFAOYSA-N 355.346 2.342 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(-n2cccc2)c1 12609810 XZHGWVRLHKFSKT-UHFFFAOYSA-N 352.394 2.377 0 40 FEAB CCOC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12772570 CNCVQIHPNKSZKB-UHFFFAOYSA-N 358.394 2.233 0 40 FEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCNC(=O)c1cccnc1 32365040 GMWGRRBSFOBFMP-NXHRZFHOSA-N 361.486 2.405 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cn(C)nc3C)C2)cc1C 2037913104 RGQBXYFVRIJBSO-HXUWFJFHSA-N 357.454 2.391 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C 4505410 IDZHCWDEQAYDJV-HNNXBMFYSA-N 359.513 2.137 0 40 FEAB CSc1nccc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n1 2086861062 CNDGTJIXXJMRRT-UHFFFAOYSA-N 369.372 2.466 0 40 FEAB Cc1cccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)c1 36700152 RSKKFTHWVMAHLW-IBGZPJMESA-N 360.479 2.347 0 40 FEAB O=C(OC1CCOCC1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585397360 PGODHGGVEXQDGE-MRXNPFEDSA-N 371.430 2.303 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)cc2)s1 4078380 JVALFIIZUGGIGF-UHFFFAOYSA-N 353.425 2.454 0 40 FEAB COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C2CC2)c(OC)c1 40074072 BSDFKQYTKJSPPM-OAHLLOKOSA-N 360.454 2.452 0 40 FEAB CC(C)CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 40120327 LFHGSKRZUTYRSP-LJQANCHMSA-N 357.498 2.198 0 40 FEAB COc1ccc(C(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1359155 PVTTVPKKXIFEKC-UHFFFAOYSA-N 366.417 2.480 0 40 FEAB CC(=O)Nc1nc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cs1 31782839 SLMKCBJPJDGEHN-UHFFFAOYSA-N 372.450 2.136 0 40 FEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC(=O)NC1CCCCC1 11531296 KJUATIJTASRRKF-UHFFFAOYSA-N 362.821 2.152 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)CCc2ccccc2)CC1 29319658 JCMGJJGLLQSJRF-HNNXBMFYSA-N 367.515 2.121 0 40 FEAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NCc1ccccc1 3504934 ALMUNHJXRXQEED-INIZCTEOSA-N 370.430 2.349 0 40 FEAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1CCCOC 4169284 BZEVVGNNJUKZTD-UHFFFAOYSA-N 363.487 2.337 0 40 FEAB COc1cc(F)c(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1OC 32469678 BXKJLLDYLRJBTH-NSHDSACASA-N 359.419 2.033 0 40 FEAB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)cc1 6963037 ZLEUNVOJUZEBDZ-GDNBJRDFSA-N 365.389 2.495 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(Cl)cc1 41097908 XBPCEQICVDFMGJ-CQSZACIVSA-N 354.834 2.164 0 40 FEAB Cc1nnc2sc(COc3ccc(Br)cc3)nn2c1=O 8400834 LUHQTBZPEAMDOM-UHFFFAOYSA-N 353.201 2.196 0 40 FEAB CCOc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1OC 32819616 DOYREGFZUNZOQS-MRXNPFEDSA-N 354.406 2.146 0 40 FEAB COC(=O)c1ccc(COC(=O)CCn2ncc(=O)c3ccccc32)cc1 32829147 IKBROCJPLHVEAL-UHFFFAOYSA-N 366.373 2.317 0 40 FEAB O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 41246797 YFORDCOPHLUJGF-IBGZPJMESA-N 352.434 2.415 0 40 FEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002021 FXPNOCUKGZTHGL-DOMZBBRYSA-N 352.866 2.072 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CCN(Cc1cccnc1)C2=O 108532503 DQGBIINGZJBVBO-FQEVSTJZSA-N 353.470 2.220 0 40 FEAB O=C(c1ccno1)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108533279 RPEFYKCEMNODEN-UHFFFAOYSA-N 354.410 2.115 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 53614771 ILVGAOPJTHEUQG-UHFFFAOYSA-N 360.458 2.366 0 40 FEAB CN(CCc1ccncc1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 12194379 HHHPVTVNUSEXQB-UHFFFAOYSA-N 373.478 2.326 0 40 FEAB CC(C)CN(Cn1nc(C(C)(C)C)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 22757630 BMPPSIOSAAUAFK-LBPRGKRZSA-N 360.549 2.341 0 40 FEAB COC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)c(F)cc1F 22889552 XRWUOYGUWRZMNE-UHFFFAOYSA-N 373.315 2.100 0 40 FEAB COc1ccc(/C=C/C(=O)N2CCCCCC2)cc1S(=O)(=O)N(C)C 8181471 KGXGZELMSVPBAI-PKNBQFBNSA-N 366.483 2.361 0 40 FEAB CN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1 26439996 ITDYIZHUKNXDFG-UHFFFAOYSA-N 362.449 2.424 0 40 FEAB CCN1CCN(Cc2nc(N)nc(Nc3cccc4ccccc34)n2)CC1 20414460 DQNNVGTWFOUHMR-UHFFFAOYSA-N 363.469 2.488 0 40 FEAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1 12555735 TXFMVYVTFUGHFG-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccc(C)cc2)c2nnn[nH]2)c(OC)c1 57525365 RJFMPSNIYUQFOM-INIZCTEOSA-N 367.409 2.490 0 40 FEAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1ccccc1F)C2=O 12581676 PLVLUUYPIMVTGQ-XYEKJYRLSA-N 350.390 2.066 0 40 FEAB O=S(=O)(CCn1cnc2ccccc21)N1CCN(c2ccccc2)CC1 10237693 JHAQDPHNLMWROK-UHFFFAOYSA-N 370.478 2.188 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCN[C@@H](C(=O)NC1CC1)c1ccccc1 58226058 GUIAIJLIHHZEKM-HXUWFJFHSA-N 369.440 2.094 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2cccnc2-n2cncn2)cc1OC 58200883 PQSKYSJABWNDJK-SOFGYWHQSA-N 365.393 2.009 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)N(Cc2ccccn2)C(C)C)no1 58214217 MSWLNVQCTXLHQX-UHFFFAOYSA-N 362.455 2.487 0 40 FEAB COc1cccc(CNCCNC[C@H](C)O)c1OCc1ccccc1F 22075311 HHGLTBNDAORORW-HNNXBMFYSA-N 362.445 2.473 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 2264768 TZDGCEADXBGMKK-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3248305 HRRGZMCGVYFKBV-UHFFFAOYSA-N 367.357 2.275 0 40 FEAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 2395836 WTJFIFZDSKILJV-UHFFFAOYSA-N 368.466 2.456 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(C)c2)c1 12605316 QWHMCWACQQUALZ-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB CC(=O)Nc1ccc(OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 3330293 IARQLYGFSLQKDW-UHFFFAOYSA-N 369.421 2.396 0 40 FEAB CN1CCN(c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)CC1 8297179 BVPHSPXIXWESFL-UHFFFAOYSA-N 354.479 2.397 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1c1cc(C)on1 12924358 VQNMFMDGSWUSRM-NSHDSACASA-N 356.425 2.357 0 40 FEAB COc1cccc(OC)c1C(=O)NCCn1cc(Br)cn1 28241072 AZFIJSIRQQWPMA-UHFFFAOYSA-N 354.204 2.093 0 40 FEAB COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)O)c2c1 3884876 UZKATCMZSZQUCO-UHFFFAOYSA-N 374.374 2.036 0 40 FEAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 13690070 FOBAKGRTMNDSIJ-GFCCVEGCSA-N 370.883 2.309 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 4249348 AUEACVBRCUCHNU-CQSZACIVSA-N 373.501 2.342 0 40 FEAB NC(=O)c1cnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1 14158949 FIMJPOVFWOQBNN-UHFFFAOYSA-N 351.256 2.119 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)cc(OC)c1OC 6611461 WGXYDGAYUZFTBA-LBPRGKRZSA-N 351.399 2.128 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccs2)c(=O)[nH]c1=O 14670114 RWUVIHDFGMVXSW-UHFFFAOYSA-N 364.471 2.283 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NCc1ccccc1 5680848 SQNFWSMJJZIGSJ-IBGZPJMESA-N 369.446 2.148 0 40 FEAB COc1ccc([S@](=O)N2CCN(c3ccccn3)CC2)c(OC)c1C 5721607 TXSFMJIMTBECKO-RUZDIDTESA-N 361.467 2.252 0 40 FEAB CCOc1ccc([C@@H]2NC(=O)NC(CN3CCCCC3)=C2C(=O)OC)cc1 67287146 CBDPCCHMWZJUHU-SFHVURJKSA-N 373.453 2.352 0 40 FEAB O=C(Nc1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9154622 GMLICLZNUFBWPG-UHFFFAOYSA-N 363.414 2.364 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cccnc1 71334592 XQRLUVXEFQYYRP-CQSZACIVSA-N 371.416 2.080 0 40 FEAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cc(C)n(C)c3C)c(=O)c12 7553525 UEQGDUUILFDOQB-UHFFFAOYSA-N 371.393 2.313 0 40 FEAB O=C(Nc1cc(Cl)ccc1N1CCCC1=O)c1ccn2nnnc2c1 95475022 OWQJQFCJSSPFSF-UHFFFAOYSA-N 356.773 2.157 0 40 FEAB COc1ccc(Cc2n[nH]c(NC(=O)CCc3c(C)n[nH]c3C)n2)cc1 95474213 MJNRLTNEWMVVMP-UHFFFAOYSA-N 354.414 2.315 0 40 FEAB COC(=O)Cn1nc(C)c(CNC(=O)CCc2c(F)cccc2F)c1C 89512636 KCMJOWUZQLOBKI-UHFFFAOYSA-N 365.380 2.200 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 306139546 SZXPFBZTWYDZKO-HUUCEWRRSA-N 363.421 2.428 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 409147904 WKLNTCAHCHQECF-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CCN(C(=O)C(F)(F)F)C2 39293890 CDPHRJILIQIKLS-PLQHRBFRSA-N 369.339 2.309 0 40 FEAB CC[C@H](CCNC(=O)c1nc2ncccn2n1)n1ccc(C(F)(F)F)n1 36618832 BJULPPLJAAQTHE-SNVBAGLBSA-N 367.335 2.111 0 40 FEAB O=C(CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1 40656007 PVKDWRQATANSPQ-UHFFFAOYSA-N 365.433 2.294 0 40 FEAB CCOCCOCc1cccc(NC(=O)NCCCN2CCCC2=O)c1 59350039 LFBTXYGFSYQLED-UHFFFAOYSA-N 363.458 2.374 0 40 FEAB COc1cc(C(=O)NCc2nccc(N3CCCC3)n2)cc(OC)c1OC 224149568 ZYUBXYYZAVUURK-UHFFFAOYSA-N 372.425 2.033 0 40 FEAB NS(=O)(=O)c1ccc(N2CCC(c3ccsc3)CC2)c(C(=O)O)c1 570399552 HMPWSJAKAFLVCS-UHFFFAOYSA-N 366.464 2.478 0 40 FEAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225103850 UKPKTSNBODRVQP-UHFFFAOYSA-N 353.371 2.446 0 40 FEAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]21 514289385 JLAGMHXJXMUSSD-WBVHZDCISA-N 361.417 2.385 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2C[C@H]3CN(C(=O)c4cccnc4)CCN3C2=O)cc1 85436114 RGHOYBOAXUKCHG-GOSISDBHSA-N 350.422 2.152 0 40 FEAB biogenic,in-vitro CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225939898 XBESJFGVXCCGJI-UHFFFAOYSA-N 360.479 2.283 0 40 FEAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2ccccc2)C1 581605282 WDRKRIYEOVTAGF-ZDUSSCGKSA-N 353.831 2.159 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-n2cnnn2)ccc1Cl 96117509 WVMATAAEFDDJTM-UHFFFAOYSA-N 353.773 2.122 0 40 FEAB COc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1Cl 248095635 GODXAAXHEDCSHW-ZDUSSCGKSA-N 362.861 2.379 0 40 FEAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)c1 248147061 WDRSJOKRYYXXDM-KRWDZBQOSA-N 369.469 2.201 0 40 FEAB Cc1cccc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3cccn3C2)n1 247862233 GQHPAIFMJFEVFV-QGZVFWFLSA-N 361.467 2.085 0 40 FEAB O=C(c1ncccn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 247841031 FLWCYTKWVHJOOL-INIZCTEOSA-N 368.437 2.352 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2cccnc2-c2cccc(C(=O)O)c2)C1 257314022 UVBIIXRSOVQOPG-CYBMUJFWSA-N 360.435 2.271 0 40 FEAB O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cc2ccccc2nc1O 257325834 WUPMXJKNQMWEMH-KZNAEPCWSA-N 355.438 2.048 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257252248 JUCAHYVQGRTKDJ-VQIMIIECSA-N 359.401 2.402 0 40 FEAB COCc1ccccc1CNC(=O)[C@H]1CN(c2ccc(F)cc2)CCN1 257259584 KYZIWEXTQUJYEX-LJQANCHMSA-N 357.429 2.067 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1C 253473600 WQZDPCPYRMZAST-KRWDZBQOSA-N 372.450 2.315 0 40 FEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cccc(Br)c2O)[C@H]1O 257344227 ZWEWIBLDUROOPC-YRGRVCCFSA-N 358.232 2.203 0 40 FEAB CC(C)n1nccc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257322287 WFIVBBTYLCYBDW-UHFFFAOYSA-N 354.414 2.232 0 40 FEAB N[C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 652384248 UROWPNSDGLNQMS-ZACQAIPSSA-N 356.463 2.016 0 40 FEAB O=S(=O)(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)C1COC1 655640325 LPLOLHNRWIDQFI-UHFFFAOYSA-N 365.373 2.325 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 684769154 KTTJNHOQULFORP-HNNXBMFYSA-N 350.426 2.014 0 40 FEAB CO[C@](C)(CNC(=O)C(=O)NCc1ccco1)c1cccc(Cl)c1 96393034 HLKSGFDFOWSRNE-QGZVFWFLSA-N 350.802 2.227 0 40 FEAB O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390829406 YJQHRKBWUVJOGP-KRWDZBQOSA-N 372.425 2.317 0 40 FEAB CO[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1Cc1ccc(F)cc1 585276143 KIQVVFDIRJWUQI-ROUUACIJSA-N 358.413 2.387 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)Cc3ccccc3C)CC2)C1 585102999 KODZOORULRFYTD-FQEVSTJZSA-N 374.525 2.371 0 40 FEAB CCCn1cc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)cn1 585277154 KOFUOOHQDCVURR-HXUWFJFHSA-N 357.454 2.048 0 40 FEAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H]3COC(=O)[C@H]23)OCO4)c1OC 5941933 NUCFVLUQYPWOTM-KSZLIROESA-N 370.357 2.498 0 40 FEAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(O)cc2)C3)C1 12182664 PJODSEPHYJNNCZ-AWEZNQCLSA-N 354.454 2.270 0 40 FEAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 169843539 UJWRDACVCXYZNV-UHFFFAOYSA-N 374.462 2.150 0 40 FEAB Cn1cncc1C(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888897345 HQHUZGFJKSEPIV-IAGOWNOFSA-N 374.448 2.086 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2cc3ccccc3o2)c1 22322826 TXDPJXJBEPDSHF-GFCCVEGCSA-N 354.362 2.259 0 40 FEAB O=C(c1cc(Br)ccc1F)N1CCN(c2cnccn2)CC1 25343649 VOYIHKMKAAACSI-UHFFFAOYSA-N 365.206 2.341 0 40 FEAB Cc1ccc(-c2nnn(CN3CCN(C(=O)c4cccs4)CC3)n2)cc1 25665585 JQELEFNABVMGOG-UHFFFAOYSA-N 368.466 2.126 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 244983816 ISJGDIULGGMPOM-NJURLYQPSA-N 367.373 2.161 0 40 FEAB COc1cccc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c1 2037985212 BMQCXLCTIHGUDZ-FQEVSTJZSA-N 360.454 2.327 0 40 FEAB Cc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc(C2CC2)n1 2087128966 RSHIMZAEKJNGFO-AWEZNQCLSA-N 366.412 2.125 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250389 OVIOTBZGVBDOFR-UHFFFAOYSA-N 373.438 2.164 0 40 FEAB O=C(O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 4538810 DKIDUEFGXKKXNI-JAAXMTQOSA-N 354.399 2.316 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9664153 CDOVAABMZSERAT-JTQLQIEISA-N 357.482 2.387 0 40 FEAB COc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)c1 2055717989 RPQNPFMSISXWGY-HSALFYBXSA-N 374.481 2.476 0 40 FEAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1cccc(OC(C)C)c1 2055759273 FPQKKTDVDDGRGF-MRXNPFEDSA-N 373.453 2.361 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CC(COc2cccnc2)C1 1775973414 AVFYTXWKCWZPSW-UHFFFAOYSA-N 355.419 2.329 0 40 FEAB CN([C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)S(=O)(=O)C1CC1 2086889284 BGINUQNMJIQEKS-LBPRGKRZSA-N 363.405 2.493 0 40 FEAB Cc1cc(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c(C)o1 211075135 KZXNEZIDJNCYIH-UHFFFAOYSA-N 356.382 2.280 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19333378 AKTZVIWKOMQXKI-OAHLLOKOSA-N 354.429 2.210 0 40 FEAB O=C(Nc1ccc(Cl)cc1)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35506998 JFQTXKFQNZZSQG-CYBMUJFWSA-N 355.778 2.148 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 40001074 XJJFWONWFWCYIN-AWEZNQCLSA-N 360.385 2.305 0 40 FEAB O=C(NCc1cccnc1OC1CCCC1)c1cccnc1-n1cncn1 40089420 JLLZYDZESVVZRA-UHFFFAOYSA-N 364.409 2.309 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2C)n1 40106332 CKSKHUQPGZPLAS-OLZOCXBDSA-N 357.476 2.022 0 40 FEAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccc(Br)cc1 1514772 AYXGHSZQYVNXRC-CYBMUJFWSA-N 369.190 2.269 0 40 FEAB CC(C)NC(=O)CCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 45925775 LMFYPIRAPRIVEQ-MRXNPFEDSA-N 367.877 2.125 0 40 FEAB CC(C)CCOc1cccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 4400473 VFBDQYREIOYJSJ-HNNXBMFYSA-N 369.483 2.136 0 40 FEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 20731572 UIHQZNMXXSGDLP-GFCCVEGCSA-N 359.407 2.311 0 40 FEAB CN(Cc1ccccc1F)C(=O)COC(=O)c1nc(Cl)ccc1N 83865551 ATNHFIIQYYZJSN-UHFFFAOYSA-N 351.765 2.272 0 40 FEAB CN(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1 6680222 XCQUABFHMUNCST-UHFFFAOYSA-N 353.421 2.038 0 40 FEAB CCc1nnc(S/C(=C\c2cccc(OCC(=O)O)c2)C(=O)O)o1 7508426 UKYDCIXZMDNJTH-XFFZJAGNSA-N 350.352 2.313 0 40 FEAB C[C@H]1CCC[C@@H](NC(=O)CSc2nnnn2-c2ccc(O)cc2)[C@@H]1C 7682444 WDANTCDLUUAIHW-YWPYICTPSA-N 361.471 2.401 0 40 FEAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102144273 FBCMKFWBKKWECU-FHIRATQRSA-N 350.484 2.491 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 32754263 WNBXQOZCOHLJFJ-XJKSGUPXSA-N 351.403 2.177 0 40 FEAB Cc1cc2ccccc2n1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 8720794 QNGFVZXTZMYPKX-CQSZACIVSA-N 371.462 2.475 0 40 FEAB O=C(CN1CCOCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 21586367 CQTMMWAFXGIXLS-UHFFFAOYSA-N 374.462 2.385 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)NCCSCc2ccsc2)cc1 32837462 LFXTWVMRHHBWMT-UHFFFAOYSA-N 356.494 2.059 0 40 FEAB Cc1ccc2cc(/C=C3/N=C(S)NC3=O)c(N3CCOCC3)nc2c1 33291488 DATYIIRNLBPVBF-XNTDXEJSSA-N 354.435 2.136 0 40 FEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1N1CCCC1=O 103176502 IWCTYDWYSUFLFV-UQLKUDODSA-N 370.405 2.283 0 40 FEAB C[C@H]1CN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)C[C@@H](C)O1 47127513 FNJFMSHDYYRVGT-CALCHBBNSA-N 373.497 2.429 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 23432905 VJOIGAHXNHENFI-WMZOPIPTSA-N 364.511 2.431 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O 12597882 LKGDNZWHMHDVNY-MRXNPFEDSA-N 358.442 2.254 0 40 FEAB CNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 3277234 AQMKMNCDOWLGBU-UHFFFAOYSA-N 365.389 2.451 0 40 FEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 58163419 HYFRCNKEYDNQFS-LLVKDONJSA-N 362.817 2.221 0 40 FEAB CC1CCN(C(=O)[C@@H](NCC(=O)NCc2ccco2)c2ccccc2)CC1 58305626 GAEZKEHVBYDCCE-FQEVSTJZSA-N 369.465 2.485 0 40 FEAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 3325408 LSVJEDMITNSSBT-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 12777841 MMVLVHMNYMAZMC-KRWDZBQOSA-N 368.481 2.336 0 40 FEAB Cc1ccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 13039846 NGNMAPJISIKGSK-UHFFFAOYSA-N 372.469 2.386 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(F)cc1 13071053 OSMAOABAOMEIGA-UHFFFAOYSA-N 353.371 2.353 0 40 FEAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCO2 8327621 CVKBNDRJCYFCLB-LLVKDONJSA-N 374.466 2.433 0 40 FEAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4c(C)noc4C)C[C@@H]23)n1 306127089 FOHFAVPHLOXZMW-SZMVWBNQSA-N 358.442 2.306 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1cccs1 14084178 YIMHRCVAAKZDRP-XIKOKIGWSA-N 357.435 2.393 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnn(Cc2ccc(F)cc2)c1 14222803 ALPCFUMNDPNFGO-UHFFFAOYSA-N 363.418 2.222 0 40 FEAB NC(=O)CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 92660702 DUFOIEYSSYRKAN-AWEZNQCLSA-N 370.453 2.325 0 40 FEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 6551925 MBNLABVPFDRKIA-GFCCVEGCSA-N 369.446 2.241 0 40 FEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(=O)n(C)n1 14596200 ZHOXLVOPAABXDG-UHFFFAOYSA-N 371.315 2.077 0 40 FEAB COc1ccc(C(=O)NCCSc2nnnn2-c2ccccc2)cc1 4743715 LVHJZYXIVJDYOP-UHFFFAOYSA-N 355.423 2.193 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 5633423 OAWYLEFLIJPLPP-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB CC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5702561 UETFJPISWZAJDO-UHFFFAOYSA-N 371.528 2.263 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 5824264 SEPBNUBBKWFADG-UHFFFAOYSA-N 364.389 2.074 0 40 FEAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409242751 YECXGVIJWIIDKV-LFIBNONCSA-N 366.373 2.331 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 8780195 XYGQZBGGAQXHAY-HXPMCKFVSA-N 358.442 2.465 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2F)CC1 15742406 AXGACCJXPQBRBE-UHFFFAOYSA-N 366.396 2.020 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cc2ccccc2o1 7478959 YZAXIHCHIBAXKE-NSPYISDASA-N 355.394 2.331 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(C)C(=O)N(C)[C@]1(O)C(F)(F)F 8941563 OACMMKFXQOEHAZ-YWPYICTPSA-N 360.332 2.155 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1 71280872 BPYDBNBCNDVKSG-UHFFFAOYSA-N 357.757 2.325 0 40 FEAB O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 89783408 QGQCKPNMJNTKSA-BBRMVZONSA-N 374.828 2.016 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)c2ccc([S@@](C)=O)cc2)cn1 84291086 SWFUFHYAAQKNRV-VWLOTQADSA-N 354.435 2.243 0 40 FEAB CSCc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)o1 9954854 YLTSXHULAHOJBU-UHFFFAOYSA-N 351.409 2.239 0 40 FEAB NC(=O)C1CCC(CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 75104416 NTKVJQDIESGSSP-JTTJXQCZSA-N 360.454 2.266 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)[C@H]2C1 408682684 LFCVIVHXZVPPRV-BZSNNMDCSA-N 368.433 2.441 0 40 FEAB CC(C)C(NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)C(C)C 38849211 OSIXRRZRILXBQI-MRXNPFEDSA-N 368.499 2.401 0 40 FEAB CC(C)C[C@@H](NS(=O)(=O)c1c(C(=O)O)cnn1C)c1cccs1 530150271 QDJHQHKUNVXCQB-LLVKDONJSA-N 357.457 2.246 0 40 FEAB Cc1c(S(=O)(=O)NC[C@@H](C)Cn2cc(Cl)cn2)cnn1C(F)F 36614732 WPYLETVXFZMQFO-MRVPVSSYSA-N 367.809 2.051 0 40 FEAB CN1CCc2nnc([C@@H]3CCCN3C(=O)CCc3ccccc3)n2CC1 72380122 KLRSMTDPJNZOBO-KRWDZBQOSA-N 353.470 2.062 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(c2ncnc3ccccc23)CC1 40060988 UBTGCTLBUUBZMZ-INIZCTEOSA-N 353.470 2.153 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(F)cc2)ccc1OC 223877110 KNWDXFZZVFFYTK-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 223729615 GOXGUNHDPLMSAV-IAGOWNOFSA-N 358.467 2.346 0 40 FEAB CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 572507214 HHMYPMRWIPLEQQ-SECBINFHSA-N 365.373 2.239 0 40 FEAB Cn1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)c([C@@H]2CCCNC2)n1 333900225 ZRGGYESGYZAGEH-CJNGLKHVSA-N 360.483 2.162 0 40 FEAB O=C(N1CCCC1)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106711 YUPLEIJDZZOKPT-QGZVFWFLSA-N 352.475 2.269 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(CCN(Cc4ccccn4)C3=O)C2)cn1 96063220 FJCACTILOXXETD-HXUWFJFHSA-N 350.422 2.050 0 40 FEAB COc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96205972 BHZOEJJCNKBDSR-VQIMIIECSA-N 355.442 2.116 0 40 FEAB Cc1cncc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)C3=O)c1 96202881 PHMHFSLHDCXBGD-UHFFFAOYSA-N 350.422 2.050 0 40 FEAB C[C@H](OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 245228470 ZNOWNILSWVUJDV-SIMVJXQJSA-N 366.414 2.150 0 40 FEAB Cc1nn(C)c(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)c1C(F)F 583682242 QIKNQKLITADBGT-ZDUSSCGKSA-N 371.409 2.428 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257312168 UMTGZDZEUSNBFX-HXUWFJFHSA-N 356.491 2.312 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n1 257317335 VJIWSFAEUJYXHS-AWEZNQCLSA-N 351.765 2.497 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2ccnc3ccnn23)CC1 257212409 CDHFFOIEJZVCPV-UHFFFAOYSA-N 350.378 2.478 0 40 FEAB O=C(c1cccc(-n2ccnc2)n1)N1CCC[C@](CO)(c2ccccc2)C1 585080112 KWFDXQIFVJZVHJ-NRFANRHFSA-N 362.433 2.434 0 40 FEAB CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 663064519 ZLNXQOSEPKANTR-FQEVSTJZSA-N 367.405 2.451 0 40 FEAB COc1c[nH]c(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1=O 604418575 ZCQRWVDTKGJGIK-UHFFFAOYSA-N 356.407 2.273 0 40 FEAB O=C(Cn1cc(C(=O)O)cn1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 630115097 BUCPEUSBZDQGOT-YPMHNXCESA-N 353.300 2.272 0 40 FEAB Cc1cc(C(=O)Nc2cccc(OCC(=O)O)c2)n(C2CCOCC2)n1 630134607 CCBZAKOWRXPKQT-UHFFFAOYSA-N 359.382 2.259 0 40 FEAB Cc1cc(CNC(=O)N2CCOCC(F)(F)C2)cc(N2CCCC2)n1 292025613 ZVCAKODJVUCIIT-UHFFFAOYSA-N 354.401 2.167 0 40 FEAB COC1(CC(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)CCC1 585108767 BELQKDAUNIOQDB-JENIJYKNSA-N 360.454 2.316 0 40 FEAB Cc1ncc(C(=O)N2Cc3cncn3CC[C@@H]2COc2ccccc2)[nH]1 585097290 JTHNIESUOWNXJU-OAHLLOKOSA-N 351.410 2.408 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 585095324 MNYQJEKSDRXQAM-SOZFHFLDSA-N 356.470 2.119 0 40 FEAB Cc1nc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)cs1 585108797 KVBPYTQIRQARRL-ULQDDVLXSA-N 359.451 2.435 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(C2OCCO2)cc1 51378263 BMAFQTFMWVISNM-UHFFFAOYSA-N 367.467 2.096 0 40 FEAB CO[C@H]1CCC[C@@H](C(=O)N[C@H](C)Cn2nc3c(cc2=O)CCCCC3)C1 72324396 XVTOFRVAONHSRU-OIISXLGYSA-N 361.486 2.222 0 40 FEAB Cc1nc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cs1 1615190161 BPJRAZDOVNSJAZ-QGZVFWFLSA-N 352.431 2.233 0 40 FEAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3cccnc3)n2)cc1 12731330 SGSPWWXQVRIMAF-AWEZNQCLSA-N 364.405 2.132 0 40 FEAB CCCN1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762493 NXQNHXMWBBHZIM-FQEVSTJZSA-N 369.465 2.491 0 40 FEAB CCOc1ccccc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 19829026 AJTTZKDDDZTGIG-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB CC(C)n1cnc(S(=O)(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1 154067668 CECPDOKMXDRBSD-LBPRGKRZSA-N 369.878 2.070 0 40 FEAB O=C(C1CCN(c2cc3c(nn2)CCC3)CC1)N1CCC(F)(F)CC1 585150545 PIZIBRJGMDIXRA-UHFFFAOYSA-N 350.413 2.439 0 40 FEAB CCS(=O)(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888869491 GKDFCAMHMCUVKF-UHFFFAOYSA-N 364.471 2.047 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)cc1 1889046121 XSWUGJBIWDYKEP-GOSISDBHSA-N 365.389 2.122 0 40 FEAB O=S(=O)(N1CCCCCC1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889214384 HMAIRLWMKYHKJO-CQSZACIVSA-N 357.451 2.042 0 40 FEAB Cc1nc(N2CCN(c3cnc4ccccc4n3)CC2)cc(-n2cccn2)n1 1889224977 VNWUMCKECPYFMA-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cc(C3CC3)on1)CC2 1565550818 GILKXRYGOAHLGE-UHFFFAOYSA-N 355.394 2.283 0 40 FEAB COc1ccc(C(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1 11697338 XBMIBQZVJNMMMZ-UHFFFAOYSA-N 364.409 2.466 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cccnc2)C1 2055746492 NIUNHCXABGTSKW-HXUWFJFHSA-N 372.444 2.040 0 40 FEAB O=C(C1CCCC1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382408 CVSUSOFRKSXEAN-IRXDYDNUSA-N 370.449 2.380 0 40 FEAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)OC(C)C)n3)n2)cc1 49407537 YDHIRQFGZZZIFL-UHFFFAOYSA-N 354.366 2.220 0 40 FEAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 5157800 KPKARCONNOSXEL-OEMYIYORSA-N 353.418 2.454 0 40 FEAB Cc1cccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)n3C)no2)c1 40152203 OQTPLNQPRZHECP-UHFFFAOYSA-N 359.411 2.025 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 40121574 YEZIAJGJHNYILN-CXAGYDPISA-N 360.458 2.300 0 40 FEAB CC(C)(C)c1nc(CN2CCC(C(=O)Nc3nncs3)CC2)no1 40154653 BRXDUKRFRCFYDU-UHFFFAOYSA-N 350.448 2.069 0 40 FEAB CCn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619140 PVHCHIJEIBFMGI-UHFFFAOYSA-N 351.345 2.399 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)Oc3ccc4c(c3)OCO4)cnc12 16468366 CSXDOOIZUUWWMP-UHFFFAOYSA-N 352.346 2.429 0 40 FEAB CC(C)n1c(N2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc21 1379874 YTQKGRLYYYSQTJ-UHFFFAOYSA-N 357.458 2.191 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 45866164 ODTMEWHSIDTZKO-CQSZACIVSA-N 362.382 2.294 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32475131 YFXULESFSVOGHR-SFHVURJKSA-N 369.808 2.096 0 40 FEAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 6679706 FCBDJDZWSBZMCT-UHFFFAOYSA-N 367.789 2.193 0 40 FEAB COc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC1 6715378 QIYVYWSWJQJMFH-BODMPHMZSA-N 358.438 2.091 0 40 FEAB COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 7230511 HNNPJEQIFCKSJE-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCCCC1 8404961 SRRUMMROTHXWED-UHFFFAOYSA-N 366.483 2.496 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 10515621 OTLVMHKDZQVQCT-UHFFFAOYSA-N 362.407 2.196 0 40 FEAB COC(=O)C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1 32900550 PSKJFAXEELMTJZ-LBPRGKRZSA-N 374.418 2.467 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 52939255 UDSAIPCFCZOLEZ-HNNXBMFYSA-N 372.918 2.451 0 40 FEAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2ccsc2)CC1 22778011 CRULVZQKWMQTRK-UHFFFAOYSA-N 362.499 2.078 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O 23228393 UBJZRMNVDPRREM-GOSISDBHSA-N 359.451 2.236 0 40 FEAB CN(CCCNC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1 54307001 RQBDZAOUIVKWOV-UHFFFAOYSA-N 352.438 2.473 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1C 23732226 RMVXQDMYRWGHLW-HXUWFJFHSA-N 374.506 2.343 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2F)cc1 24441374 ISKKGNCJBDZTDB-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)c(Cl)c1 20634545 HWEXSXWABHKVOC-OAHLLOKOSA-N 364.829 2.119 0 40 FEAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccccc2)C1=O 24877314 DHQYHCTXTZGEOD-HXUWFJFHSA-N 366.373 2.151 0 40 FEAB COc1cccc(C(=O)NC[C@]2(COc3ccccc3)C[C@H](O)[C@H](O)C2)c1 107430593 BZBNMIPXQADQAU-CEQLMSFQSA-N 371.433 2.006 0 40 FEAB biogenic,in-vitro CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 100395274 SKTLOHGDCDQMBF-NWCWSAAOSA-N 354.381 2.189 0 40 FEAB CC(C)CNC(=O)N1C[C@H]2CC[C@@]3(N=C(c4ccccc4)NC3=O)[C@H]2C1 107273269 GLMLZHGCXGCKGY-GQIGUUNPSA-N 354.454 2.009 0 40 FEAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(N)(=O)=O 29700529 UFNVPWUDYCCEQQ-UHFFFAOYSA-N 352.437 2.317 0 40 FEAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc2c(c1)OCO2 12528847 DYAUCMRUECCEFS-FUNVUKJBSA-N 359.378 2.292 0 40 FEAB O=C(COc1ccccc1)NCc1cccc(OCCN2CCOCC2)c1 58178960 DIZYWRGQJISUPX-UHFFFAOYSA-N 370.449 2.093 0 40 FEAB COc1ccc(CCCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1OC 58163288 DCQGNNCQOLDYFN-CQSZACIVSA-N 356.488 2.203 0 40 FEAB Cc1cn2nc(NCCC(=O)N3CCN(c4ccccc4)CC3)sc2n1 58208655 ROAFZFAEQVOACR-UHFFFAOYSA-N 370.482 2.250 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)nn1)OCC 58228399 SXLXBSJFVYULKI-LBPRGKRZSA-N 350.394 2.307 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1nc2ccccc2[nH]1 12538544 ZXUFXYYTPTZOPD-SNVBAGLBSA-N 357.801 2.219 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58424525 HMSZNZZCRYNZCF-UHFFFAOYSA-N 364.427 2.252 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)cc(C)c1C 10923510 DYGPWUSXSZSHEC-UHFFFAOYSA-N 364.492 2.472 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)N[C@H](c1ccccc1)c1cccs1 12910807 LIKZWOHMWHDDHF-WMLDXEAASA-N 369.446 2.380 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCn4cccc4[C@H]3C)ccc21 12901893 DVXBOCCKYOCOSX-CYBMUJFWSA-N 359.451 2.163 0 40 FEAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 12936504 BFGOZCSUOZVRLK-GFCCVEGCSA-N 365.389 2.114 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1F)OCCO2 13090203 QIFMXCKMSWAYGV-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB CCS(=O)(=O)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 408712926 BQDZXWCPBBGAQA-UHFFFAOYSA-N 354.453 2.135 0 40 FEAB NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 14078948 NZPHKEWPTNYIMY-SFHVURJKSA-N 353.422 2.269 0 40 FEAB Cc1occc1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5398556 NEUWYRLVOKSOPO-UHFFFAOYSA-N 371.798 2.440 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 14184702 BAUBDIVAGGAHCC-FOCKTWCOSA-N 374.437 2.130 0 40 FEAB COc1cccc(CC(=O)OCC(=O)NC(=O)Nc2ccccc2F)c1 5985445 QDDGGVKMRGWYGP-UHFFFAOYSA-N 360.341 2.268 0 40 FEAB Cc1ccc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)c1 8754593 KTBIBWQCPXIADN-SFHVURJKSA-N 373.434 2.487 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 7735690 VSVRRYOMNRAWSA-UHFFFAOYSA-N 369.450 2.107 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(-n2cnnn2)c1C 9048254 FOVAHSHJFLAOPN-UHFFFAOYSA-N 364.409 2.038 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCOC1 96014138 IASOKYDHAPZAEX-SJKOYZFVSA-N 351.834 2.339 0 40 FEAB CC[C@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 23748616 UDLDQZJYBCWHLW-OAHLLOKOSA-N 350.422 2.492 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1nnnn1-c1ccccc1 71801231 OUWDPAJKWVOEGS-GWQKEKGPSA-N 373.413 2.077 0 40 FEAB COCCOC[C@@H]1CCN(C(=O)c2ccc(OC)c(OC(F)F)c2)C1 72303088 OWLMBDLQTFQUSN-GFCCVEGCSA-N 359.369 2.422 0 40 FEAB CC[C@@H](CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1 95464475 RGRPFBZQNZOKHY-RDJZCZTQSA-N 360.454 2.352 0 40 FEAB O=C1CCc2cc(C(=O)COC(=O)CSc3ccncc3)ccc2N1 95466498 WREFLYSZRATMJF-UHFFFAOYSA-N 356.403 2.485 0 40 FEAB Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(C(N)=O)o4)n3)cn2)n1 89595698 VIWMOMSBFYOLSN-UHFFFAOYSA-N 350.338 2.293 0 40 FEAB COC(=O)CCCN1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 75105497 ZUNUTUCHMQESMB-UHFFFAOYSA-N 357.454 2.496 0 40 FEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 408597564 ZIAAMIUYCZXKRB-UHFFFAOYSA-N 362.455 2.434 0 40 FEAB Cc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)s1 1548348137 IAQNNPXBTATULH-UHFFFAOYSA-N 372.450 2.380 0 40 FEAB CNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(OC)cc2)C1 72363287 VUODOCXRPUHPHX-CQSZACIVSA-N 356.426 2.203 0 40 FEAB Cc1nnc(Nc2cccc(C3CCN(C(=O)CN(C)C)CC3)n2)s1 72376167 WKYMNBSUEYMFLF-UHFFFAOYSA-N 360.487 2.253 0 40 FEAB CC(=O)N[C@@]1(c2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)CCNC1 567898788 BMOXLNAXRXLIEI-IBGZPJMESA-N 370.478 2.044 0 40 FEAB O=C1NC(=O)[C@H](Cc2ccc(OCCc3ccc(CCO)cn3)cc2)S1 44699639 TUXGNBJVZUQUKV-KRWDZBQOSA-N 372.446 2.132 0 40 FEAB in-vitro CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225420385 GIDGYUARCFYLFR-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CC[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 191395509 PRQJFHHNSPBWAD-KRWDZBQOSA-N 362.451 2.009 0 40 FEAB NC1(CNC(=O)Nc2cnn(CC(F)F)c2)C2CC3CC(C2)CC1C3 570062387 YEUHUNVPFOURMY-UHFFFAOYSA-N 353.417 2.423 0 40 FEAB CCOc1ccccc1NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225881957 GDEFAIRTTFJNJD-UHFFFAOYSA-N 369.468 2.498 0 40 FEAB COC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(C)c2)s1 225319871 HKHUUSYTYYAUJC-UHFFFAOYSA-N 353.425 2.373 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)OCCCO4)CC2=O)cc1C 75156648 IBVIVRLKIWBESM-KRWDZBQOSA-N 372.465 2.412 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1O 80332784 DGJSCUWDWNZUKQ-OAHLLOKOSA-N 368.437 2.251 0 40 FEAB Cc1nc(CN2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)cs1 96229112 ZJPOBEUQGCBQQF-GOSISDBHSA-N 359.499 2.361 0 40 FEAB Cc1ccn(C)c1C(=O)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 577873581 FUTSQSZSXDKWIZ-KXBFYZLASA-N 352.438 2.211 0 40 FEAB O=C([C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCCC1 96042709 JMALHDIINXVBDV-KFKAGJAMSA-N 358.438 2.017 0 40 FEAB CCCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 96239598 XIEMGUVCEPIHCO-HNNXBMFYSA-N 359.442 2.359 0 40 FEAB O=C(NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)c1ccco1 247471419 FLBYPHHODZRLDE-MRXNPFEDSA-N 358.442 2.080 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)C1CC1 247476938 HLMWEUAVUGJXRO-INIZCTEOSA-N 368.437 2.085 0 40 FEAB COc1cc(N2CC3(C[C@H](OCc4cncc(C)c4)CCO3)C2)ncn1 247943884 VUSQARDFXDHERV-MRXNPFEDSA-N 356.426 2.143 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ocnc2C)C3)n1 247851577 AOLQQODJAPYCJM-INIZCTEOSA-N 357.410 2.277 0 40 FEAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 257265014 LWXOKGVFUKCNBU-UHFFFAOYSA-N 365.441 2.237 0 40 FEAB COCCOc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccn1 253401869 NPTYNEBOFQOELG-UHFFFAOYSA-N 371.437 2.078 0 40 FEAB CNc1cc(Nc2cc(CCC3CCN(CCO)CC3)ccn2)ncn1 257294652 QVBWPXBBXVFOQY-UHFFFAOYSA-N 356.474 2.294 0 40 FEAB Cc1ccc(CC(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)s1 257326775 WYNUBLAIBVYKTR-LJQANCHMSA-N 359.495 2.484 0 40 FEAB CCN1C(=O)CC[C@H](CNc2ccnc(C3CC3)n2)[C@H]1c1nccn1C 1775959173 JTNUHERGTJCKLM-PBHICJAKSA-N 354.458 2.499 0 40 FEAB NC(=O)C[C@]1(O)CCCN(Cc2cccc(OCc3ccccc3)c2)C1 643745830 VQICXEDBCYUGAE-OAQYLSRUSA-N 354.450 2.468 0 40 FEAB O=C(c1csnn1)N1CCC(c2cc(=O)[nH]c(-c3ccccc3)n2)CC1 67741052 ONHNVUQGRKHEIO-UHFFFAOYSA-N 367.434 2.308 0 40 FEAB CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(F)c1F)c1ccnn1C 682669481 DKSJUYJOUYTBFP-NSHDSACASA-N 350.369 2.193 0 40 FEAB O=C(Cn1nnc2ccccc21)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390831967 WHSCDNPDQNZDFN-GJZGRUSLSA-N 363.421 2.427 0 40 FEAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)cc1 390826924 CNZCOAVDPQWTDY-QGZVFWFLSA-N 356.426 2.465 0 40 FEAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)c3cc4c(s3)CCC4)C2)OC1 575403371 IPXIXAOFDYYUPO-CQSZACIVSA-N 374.506 2.480 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2[nH]cnc2C)C3)n1 575406066 VBTIAQUYCDZOKB-MRXNPFEDSA-N 356.426 2.012 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)c3conc3C)C[C@H]1CN(C(C)C)C2 585108069 MBVGVKWFBYWTSD-KXBFYZLASA-N 363.458 2.109 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc(F)c(Cl)c1)[C@H](C)C2 585098534 UQPIALMQKYFLFF-SNVBAGLBSA-N 352.797 2.304 0 40 FEAB Cn1ccnc1[C@@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)C[C@H]1N 1615588252 ANACIDYJHQBJRV-ZIAGYGMSSA-N 371.441 2.250 0 40 FEAB Cn1c(Cc2cccs2)nnc1SCn1nnc2ccccc2c1=O 5580447 DNFWVDVBHZETNC-UHFFFAOYSA-N 370.463 2.322 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3cn(C)nc3C)CC2)Nc2ccccc21 12086138 IUPROIDXOXBYSW-UHFFFAOYSA-N 367.453 2.182 0 40 FEAB CC(C)c1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n(C)n1 12203448 HUJCLMPPCRAISL-UHFFFAOYSA-N 356.426 2.268 0 40 FEAB CN(CC(=O)N(c1ccccc1)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 14114236 PJZLRAOAMYUVAW-GOSISDBHSA-N 364.511 2.471 0 40 FEAB Cc1ccn(CCC(=O)N2CCC(c3nnc(-c4ccccn4)o3)CC2)n1 19238053 QFBSTXQXXWHNRY-UHFFFAOYSA-N 366.425 2.433 0 40 FEAB CCN(CC)c1ncc(CN2CCO[C@H](C(=O)NC3CCCC3)C2)s1 19750381 XZVRNBDLBHEVBY-INIZCTEOSA-N 366.531 2.249 0 40 FEAB COc1ccc([C@@H](NC(=O)c2cnc3n2CCCC3)C(=O)O)cc1Cl 630188437 GDXHSFJGTJVOPV-OAHLLOKOSA-N 363.801 2.437 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)NC2CCCCC2)c3=O)cc1 12233722 SVUMJTHZBMJIGX-UHFFFAOYSA-N 353.426 2.161 0 40 FEAB CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c1=O 22697119 MRGTYLVJNFMAEY-LJQANCHMSA-N 359.445 2.358 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 27762198 AWBKXWOSMCQLGZ-UHFFFAOYSA-N 359.426 2.267 0 40 FEAB CCOC(=O)c1c(NC(=O)CCCN2C(=O)CCC2=O)sc(C)c1C 11637795 BALTUZZGHFRMJG-UHFFFAOYSA-N 366.439 2.409 0 40 FEAB COc1c(C)cnc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)c1C 1888859345 QFCRBLQZRVRCMK-MRXNPFEDSA-N 363.527 2.494 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1 1888864082 ILDBXUYYKHOIQP-UHFFFAOYSA-N 372.542 2.360 0 40 FEAB CCc1ncnc(OCC2CCN(c3ncnc4n[nH]cc34)CC2)c1F 1888901223 ZLRAEHPBFMEAJC-UHFFFAOYSA-N 357.393 2.140 0 40 FEAB CSc1ncc(Br)c(N2CCC[C@@H](NC(=O)C3CC3)C2)n1 1889083291 HUMZDEREPOZKSD-SNVBAGLBSA-N 371.304 2.456 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(c2ccc(-n3cccn3)nn2)CC1 1889225603 QOCSRYPHCRRREF-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB Cc1nc(N2CCN(Cc3ncoc3C(C)C)CC2)cc(-n2cccn2)n1 2087144006 SNRJMIDQXBSMHX-UHFFFAOYSA-N 367.457 2.404 0 40 FEAB CCOc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1 10255907 ARBZLRCLVZYNEO-SFHVURJKSA-N 354.406 2.168 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C 23106559 XZBAWNBABNKXPY-CQSZACIVSA-N 361.467 2.423 0 40 FEAB Cc1nc(C)c(C(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)s1 575611453 FTGDJFLIDDDYNB-UHFFFAOYSA-N 370.431 2.282 0 40 FEAB CC[C@H](C)[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)OC 12862978 MGOAXPTZZCZRCU-LRDDRELGSA-N 352.431 2.133 0 40 FEAB biogenic O=C(CCc1n[nH]c(=S)[nH]c1=O)Nc1ccc(N2CCCCC2)cc1 11272653 IOQUFYSKHXBQIQ-UHFFFAOYSA-N 359.455 2.389 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n(C)n1 11395495 ADKBYMUCXUCEPV-LBPRGKRZSA-N 363.801 2.115 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 29021355 OCNKTLRGFQJIGU-ZDUSSCGKSA-N 373.434 2.050 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 810077 XJZLDGUWXZTMFU-ZDUSSCGKSA-N 367.405 2.046 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 1006980 SCRCGIHQSKHGKJ-WOSRLPQWSA-N 365.311 2.186 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1 45803707 JPTWKOQOWIUXQT-AWEZNQCLSA-N 374.510 2.227 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 3457508 AOMSJUIYHMETPS-UHFFFAOYSA-N 365.389 2.381 0 40 FEAB c1ccc(N2CCN(c3nc(N4CCCC4)nc4nccnc34)CC2)cc1 32100516 MPRBKZUAZYXREI-UHFFFAOYSA-N 361.453 2.347 0 40 FEAB COc1cc2ncn(CC(=O)OCc3ccccc3)c(=O)c2cc1OC 20720672 NLMHNKNYUJKPOI-UHFFFAOYSA-N 354.362 2.157 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 102014621 UXDJWMJAFYTNPD-DARAHFNDSA-N 357.797 2.252 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 10091369 WQFBEJBIBDZNJD-GOSISDBHSA-N 364.467 2.285 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1cccc(-c2nnn[nH]2)c1)c1ccccc1 32843442 DGMUHNSPQADVMT-MRXNPFEDSA-N 359.393 2.120 0 40 FEAB NC(=O)Cn1c(SCc2noc(-c3ccsc3)n2)nnc1C1CC1 32830997 UCENMRNPIANDMW-UHFFFAOYSA-N 362.440 2.045 0 40 FEAB CCOC(=O)c1csc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)n1 54881417 CWQLMNLNZBCDGO-CYBMUJFWSA-N 355.460 2.445 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cs1 32901270 HUNALTLYTIBQCX-UHFFFAOYSA-N 369.487 2.238 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1cccs1 32900561 SSXWMACGWSSSNQ-OAHLLOKOSA-N 370.434 2.422 0 40 FEAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@H](C)O1 32930452 MRNDVKBDYIYVMM-KBPBESRZSA-N 369.421 2.354 0 40 FEAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nn12 37132732 WFCYEZQQRSBFCK-CQSZACIVSA-N 365.393 2.181 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 37162901 UPQXURHTMIINAN-ZDUSSCGKSA-N 360.863 2.410 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@]1(N2CCOCC2)CCSC1 52845169 FRWLZOSCUMDGNK-FQEVSTJZSA-N 360.523 2.042 0 40 FEAB COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1 781202 FEPWOCQPAYDTJM-OAHLLOKOSA-N 357.406 2.379 0 40 FEAB CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813759 BCAGBHWPWUNELW-LBPRGKRZSA-N 374.890 2.279 0 40 FEAB CCOc1cc(CNCCN2CCOCC2)cc(Br)c1OC 22076076 PLXZAKQGAVJBDN-UHFFFAOYSA-N 373.291 2.278 0 40 FEAB O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc3nnnn3n2)CC1 23882714 KXTWKWVOCYZEDU-UHFFFAOYSA-N 357.805 2.028 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 102898746 SWOQOKVTDFTGKZ-HDICACEKSA-N 350.418 2.254 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)c1 24991344 ZKQWKANYAQAMRC-HNNXBMFYSA-N 353.422 2.121 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 25295450 RRPLXHMHXDRIBX-LBPRGKRZSA-N 368.397 2.264 0 40 FEAB O=C(NCCNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccco1 25923729 DIJQYERSYMRRGX-UHFFFAOYSA-N 367.361 2.285 0 40 FEAB COCCOc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 57172704 BYRZLJVBYZNVRM-IBGZPJMESA-N 369.465 2.388 0 40 FEAB CCNC(=O)CN(CC)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 47867858 LBOBAPQHMJJSCI-UHFFFAOYSA-N 367.755 2.274 0 40 FEAB CCn1cc(CN2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)cn1 306130208 IZDYXIYXONRTNM-KRWDZBQOSA-N 356.474 2.095 0 40 FEAB CC(C)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525732 QIQBCSMYWWSESO-UHFFFAOYSA-N 351.406 2.462 0 40 FEAB CN(Cc1cccs1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 10362075 CYJZOIZIHUTEQP-UHFFFAOYSA-N 353.469 2.461 0 40 FEAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 58311718 GPPIDVXBVVFXNE-JTQLQIEISA-N 355.232 2.095 0 40 FEAB Cc1cc(C)c(C(N)=O)c(N2CCC(C(=O)NCc3ccccc3)CC2)n1 12785116 OSLWEGLDOXSKIP-UHFFFAOYSA-N 366.465 2.330 0 40 FEAB Cc1nc(NC(=O)COC(=O)c2c(C)noc2N)c(Cl)cc1Cl 48300712 SLSYCEJZOMFHSH-UHFFFAOYSA-N 359.169 2.371 0 40 FEAB C[C@H]1C(=O)N(CC(=O)NC(=O)NC2CCCCC2)C(=O)N1c1ccccc1 12926787 IGNZDFTZIVJPJR-ZDUSSCGKSA-N 372.425 2.002 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1Br 13262583 HYXKOUHJHXNPTD-UHFFFAOYSA-N 362.245 2.243 0 40 FEAB O=C(Nc1cccnc1)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13692512 DBNLHSFGZWZHDA-GOSISDBHSA-N 367.405 2.099 0 40 FEAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnnn1C 6053906 OBKILVIFWLLSSD-UHFFFAOYSA-N 367.456 2.057 0 40 FEAB COc1ccc(OCCOC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 4250082 KSODISVPTZGJSA-UHFFFAOYSA-N 368.389 2.487 0 40 FEAB CSc1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 5166109 LVSSHELFJRJVQO-UHFFFAOYSA-N 369.402 2.441 0 40 FEAB Cc1nc(C(=O)OCc2ccc(C(N)=O)cc2)nn1-c1ccc(F)cc1 14199728 BTUAHRKOVQTFOZ-UHFFFAOYSA-N 354.341 2.171 0 40 FEAB O=C(c1ccco1)N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 14242464 PSMXIKNJOVNXGQ-UHFFFAOYSA-N 372.446 2.355 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 14226797 UYQQIDBQTBXXJW-UHFFFAOYSA-N 361.423 2.196 0 40 FEAB COC(=O)[C@@H](Cc1cccc(Br)n1)NC(=O)OC(C)(C)C 66054717 MDJVVWSHMQQMFN-SNVBAGLBSA-N 359.220 2.453 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)o1 8245437 PIVIISXHAYSUSA-LBPRGKRZSA-N 361.423 2.338 0 40 FEAB Cc1ccc(OCC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 6810395 FSUITYARJIXOCF-HNNXBMFYSA-N 363.435 2.183 0 40 FEAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 9885289 WNMKJFXCAILBIR-IERDGZPVSA-N 366.417 2.128 0 40 FEAB CC(=O)N1CCC(C(=O)OCC(=O)c2ccc[nH]2)(c2ccccc2)CC1 9479791 QXBUGWSHDQTZEE-UHFFFAOYSA-N 354.406 2.321 0 40 FEAB O=C(O)C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)O 9484814 WCUKVGYFXBBMIQ-AWEZNQCLSA-N 354.318 2.153 0 40 FEAB Cc1nn(Cn2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)n2)c(C)c1Cl 28576281 XPMOHXRDCQSEJB-PHIMTYICSA-N 351.838 2.105 0 40 FEAB C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCS(C)(=O)=O)CC1 84651526 SBYIDXPPOIZORP-CYBMUJFWSA-N 364.433 2.429 0 40 FEAB CN(C)C1(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CCOCC1 73235817 PNJIXSVLOHOJAR-QGZVFWFLSA-N 365.449 2.019 0 40 FEAB CC(C)CN1CC[C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)C1 79094155 JUQNBRVNMTWVFZ-GOSISDBHSA-N 357.498 2.450 0 40 FEAB O=C(O)CN(C(=O)c1ccc(Cn2nnc3ccccc32)cc1)C1CC1 95969886 XTFXTHVUMULBAG-UHFFFAOYSA-N 350.378 2.169 0 40 FEAB CCN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@H]1CCS(=O)(=O)C1 95963757 IEQCTPZNSMASEN-LBPRGKRZSA-N 366.468 2.246 0 40 FEAB COCc1ccccc1/C=C(\C)CN1CCN(CC(=O)NC2CC2)CC1 507023891 XKRFUFJRBLOCMZ-GHRIWEEISA-N 357.498 2.133 0 40 FEAB C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(SC(F)(F)F)c1 1559402892 BLCGNGLTEVMHSA-MRVPVSSYSA-N 354.375 2.206 0 40 FEAB CC(C)c1ccc(OCC(=O)NS(=O)(=O)[C@H]2COC(C)(C)C2)cc1 529104254 JAYQSPGGQKZOMH-OAHLLOKOSA-N 355.456 2.202 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)Cc3ccccc3)CC2=O)cc1C 70639284 JWKOJGLXGKLWTB-AZUAARDMSA-N 366.461 2.376 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1cccc(Cl)c1 224156371 CWPXUTUYXZVNFH-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB O=C(Nc1cccc(CS(=O)(=O)N2CCCCC2)c1)c1cnccn1 223219250 YTIIFCXBEZBZMW-UHFFFAOYSA-N 360.439 2.045 0 40 FEAB CCN1CCN(CCCNC(=O)c2cc(Br)ccc2F)CC1 41442318 DXVJQSKMHIDFGD-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB CCOc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224313106 MGEKQXWIBYVNOH-UHFFFAOYSA-N 370.457 2.295 0 40 FEAB Cc1ccccc1OCCNC(=O)c1cccc(NS(C)(=O)=O)c1C 224076570 KDZXZFXNFMOPNK-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 223683108 LOGAOTUAHVBLAW-SJORKVTESA-N 358.467 2.264 0 40 FEAB Cc1cccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 223928063 FBEKRVLGCLBFSS-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96243643 HIYPOJAPSRSIPX-SFHVURJKSA-N 368.481 2.298 0 40 FEAB O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(CC3CCCC3)CC2)O1 96243610 MAWZOSMVKIQCDH-GOSISDBHSA-N 372.513 2.289 0 40 FEAB COc1cc(NC(=O)COC(=O)Cc2ccsc2)cc(OC)c1OC 95471786 UCYSMQJMQAPEEB-UHFFFAOYSA-N 365.407 2.498 0 40 FEAB CC(C)C(=O)N[C@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21 96079012 TUWMZYUKBMFXNB-SFHVURJKSA-N 357.498 2.325 0 40 FEAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(C(=O)O)cc2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257241840 HZVYWMNJHGJSIC-KWXDATOUSA-N 359.422 2.437 0 40 FEAB Cc1cc(C)n(CCN2CCN(C(=O)CSC3CCCC3)CC2)n1 62022043 UVYBCQJGAGVCQP-UHFFFAOYSA-N 350.532 2.320 0 40 FEAB Cc1cccc(C(=O)OC(C)(C)C)c1NS(=O)(=O)c1ccn(C)n1 585138349 HIERYYMVCPAAML-UHFFFAOYSA-N 351.428 2.485 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 250669775 LFLCPOZBYHTADZ-RDJZCZTQSA-N 358.438 2.210 0 40 FEAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257329268 XJDJWVBZECSHHA-QGZVFWFLSA-N 352.438 2.245 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 257290521 QDHBPIDDUABVBI-OAHLLOKOSA-N 350.426 2.394 0 40 FEAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 251022182 DUWSZXODIHFZMO-WCFLWFBJSA-N 371.264 2.460 0 40 FEAB COc1cccc2c(C(=O)N[C@](C)(CC(=O)O)c3ccccn3)n[nH]c12 1610359463 AJRDDTCYSVRBDY-GOSISDBHSA-N 354.366 2.086 0 40 FEAB CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 1138084742 JDEPSBRETPGAEK-NQYLQCIDSA-N 373.497 2.223 0 40 FEAB CCc1noc([C@@]2(O)CCN(C(=O)NCC3CC(c4ccccc4)C3)C2)n1 606443986 BFBDOSHQWHOIKP-QJXPYNDKSA-N 370.453 2.429 0 40 FEAB CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@H](C2CCCCC2)C1 664996430 PNAQOFLAPMGSCZ-JKSUJKDBSA-N 359.536 2.316 0 40 FEAB CS(=O)(=O)c1ccsc1NC(=O)C[C@@H](n1cccn1)C(F)(F)F 668872533 SOEGMNVUDKVEBM-SECBINFHSA-N 367.374 2.480 0 40 FEAB Cc1cc2c(N(C)C[C@@H]3CCCN(C)[C@H]3c3cncn3C)nccn2n1 671472515 XOSXARIFIZDRNM-MAUKXSAKSA-N 353.474 2.291 0 40 FEAB COc1ccc(CCNC(=O)NCCn2ccc(-c3ccncc3)n2)cc1 96098833 CNTXYPBQYZGYHM-UHFFFAOYSA-N 365.437 2.496 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1Cc1ccc(F)cc1 585277928 XWNPBNMBBWXKGC-AEFFLSMTSA-N 358.413 2.244 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@@H]12 585109258 FJAGXKWGCMCEPB-NFAWXSAZSA-N 362.476 2.356 0 40 FEAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)cs1 585289912 MQIGYOHBVUGEPX-ZEWWTIJFSA-N 359.451 2.289 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585276773 IQSVWEADWSYTHM-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1cccc(C)c1I 48783148 PJEBLFIAKJIMCY-UHFFFAOYSA-N 361.179 2.281 0 40 FEAB CC(C)C(=O)N1CC[C@H](NC(=O)CCc2nc(-c3ccccc3)no2)C1 89775611 QDFICRUEXPOHJK-HNNXBMFYSA-N 356.426 2.042 0 40 FEAB O=C(CCc1ccco1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615129705 WPGYCQKIIZGJGV-HXUWFJFHSA-N 372.396 2.386 0 40 FEAB COc1cc(CN2CCC(c3noc([C@H]4CCC(=O)N4)n3)CC2)ccc1O 12233757 FUKKZLQKBSLJDD-CQSZACIVSA-N 372.425 2.115 0 40 FEAB O=C(c1cccs1)N1CCC(n2nnc3c(O)nc(C4CC4)nc32)CC1 12336905 QUXHZIIYMFFGQK-UHFFFAOYSA-N 370.438 2.343 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 12365125 BYILDMNTVLKNFR-CQSZACIVSA-N 353.401 2.451 0 40 FEAB CN(C)N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 19172938 CHPHQWPKZOHMMA-INIZCTEOSA-N 353.875 2.426 0 40 FEAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cn2cc(C)cn2)cc1 19239920 CVKMUBLNQYYGSZ-IBGZPJMESA-N 351.410 2.098 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)cc1F)CC2 19293070 QDFFOBSOUPJGEX-UHFFFAOYSA-N 360.408 2.249 0 40 FEAB CNc1cc(CNC(=O)Cc2ccccc2OC)nc(-c2cccnc2)n1 19592248 GKMUBVWJKFXASK-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB CO[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)C[C@H]1c1cnn[nH]1 622168194 VFYFLFIYKKLRGC-FUHWJXTLSA-N 356.426 2.381 0 40 FEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390828829 URXOTIDOIUZAHO-GXTWGEPZSA-N 352.435 2.304 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H](Cc1ccccc1)C(=O)O 13259961 DIHNDOMHQOXTOP-SFHVURJKSA-N 366.417 2.168 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834344 KYQBWQJPYSXOBP-JHJVBQTASA-N 355.360 2.032 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CNc1cccc(-c2nnnn2C)c1 25705510 RIWMGDJESZJONE-CYBMUJFWSA-N 366.425 2.175 0 40 FEAB FC(F)(F)c1nnc(CN2CCN(c3ccc(C4CC4)nn3)CC2)o1 1776009312 CYCMSUAYABAXSN-UHFFFAOYSA-N 354.336 2.078 0 40 FEAB O=C1CO[C@@]2(CCCN(C[C@@H]3CCOC3)CC2)CN1c1cccc(F)c1 2037989057 SVKNUYIHZADHSV-OXJNMPFZSA-N 362.445 2.450 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1083905467 XBVZJENHGDCBDH-GJZGRUSLSA-N 365.437 2.354 0 40 FEAB Cc1sc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)c(C(N)=O)c1C 4570385 ZAQFFDGKRXVAFY-UHFFFAOYSA-N 370.427 2.015 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)O)cs2)c1 13415075 VZPPFRMSEOOLIG-UHFFFAOYSA-N 365.436 2.459 0 40 FEAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)Cc1ccccc1 13799822 CXPFBVSFLIVUJZ-UHFFFAOYSA-N 373.434 2.013 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cccnc2)C1 2055746491 NIUNHCXABGTSKW-FQEVSTJZSA-N 372.444 2.040 0 40 FEAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cc(-c2ccco2)on1 36662453 VGTYUVCQPNQQNE-GFCCVEGCSA-N 372.406 2.153 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1OC 225476320 YUAPPFXZJUESQT-OAHLLOKOSA-N 372.425 2.247 0 40 FEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cc(F)cc(F)c21 101121017 LAOVSZLVPYPHSI-CYVLTUHYSA-N 367.333 2.273 0 40 FEAB COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1OC 100191487 LWAGRRVQCVCIEX-CYBMUJFWSA-N 365.389 2.494 0 40 FEAB CC(=O)N[C@@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)C(C)C 36638639 MWBQKHFSICSDKB-SWLSCSKDSA-N 352.504 2.474 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)c2cccc(NC(C)=O)c2)cc1 8313411 WGNDDKAEFBKJFT-UHFFFAOYSA-N 355.394 2.364 0 40 FEAB COc1cc(C[C@@H]2Cc3cccc(=O)c(O)c3C(=O)O2)cc(OC)c1OC 6403573 DGOTZMGGFJMMRR-CYBMUJFWSA-N 372.373 2.102 0 40 FEAB COc1ccc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 45845966 ZRCGLGKVZZZXII-UHFFFAOYSA-N 355.442 2.164 0 40 FEAB COc1ccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)cc1OC 640174 WVEYNWNVFNBSNK-DHDCSXOGSA-N 369.402 2.284 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1F 29999570 RXJACTRIHLPHSI-INIZCTEOSA-N 352.369 2.178 0 40 FEAB Cc1c(CN(C)S(=O)(=O)c2ccc(Br)cc2)cnn1C 2764753 UJCZTNDUJNKIIS-UHFFFAOYSA-N 358.261 2.312 0 40 FEAB C[C@H](CNC(=O)c1cccnc1Cl)NC(=O)c1cccnc1Cl 2750467 YTGNLOYFSVIDQD-SECBINFHSA-N 353.209 2.332 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCCC[C@@H]1C(F)(F)F 23191349 BMHVSSFOEQGUKW-KBPBESRZSA-N 353.348 2.442 0 40 FEAB COCC(=O)Nc1cccc(NC(=O)c2ccccc2N2CCOCC2)c1 61137994 OHCADYAGWUTIFO-UHFFFAOYSA-N 369.421 2.360 0 40 FEAB CCN1C(=O)C(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 23762335 HTTUHEVZWGRGRS-LBPRGKRZSA-N 358.423 2.201 0 40 FEAB COC(=O)c1cc(Br)c(=O)n(CCc2ccc(O)cc2)c1 1240239 YUPGZEQIGQWERQ-UHFFFAOYSA-N 352.184 2.346 0 40 FEAB CC(C)(C)c1noc(CCC(=O)NCc2ccccc2Cn2cncn2)n1 25151589 ULWPXPAHBYRJMB-UHFFFAOYSA-N 368.441 2.256 0 40 FEAB C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 24978961 DSIWEOXRBXPHSW-STQMWFEESA-N 369.421 2.235 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCNC(=O)C1 34858796 RIIPFNMEZDTVQS-LJQANCHMSA-N 353.422 2.115 0 40 FEAB COc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 25422434 LQCKJBMRQUWMNK-SFHVURJKSA-N 352.434 2.403 0 40 FEAB biogenic CCCCN(CC)C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507267 OUENVOTZVHAUMG-UHFFFAOYSA-N 368.441 2.283 0 40 FEAB COc1ccc(OCCN2CCN(C(=O)c3ccc(C)nc3)CC2)cc1 23439800 HRTAGDLVQWKMLD-UHFFFAOYSA-N 355.438 2.235 0 40 FEAB CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1cccc(C)c1 57996889 ZKMFAMVMKSAGBP-GOSISDBHSA-N 350.422 2.468 0 40 FEAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 58161580 XZRKHJCWWIEJEY-JTQLQIEISA-N 351.346 2.210 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2c(C)noc2Cl)cc(C(=O)OC)c1 58203238 OKUXUSJHODRJKY-UHFFFAOYSA-N 366.757 2.391 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)NCCCOC1CCCCC1 58258999 ACCFTXMBPDMEKZ-UHFFFAOYSA-N 373.457 2.108 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)CCCc2c[nH]c3ccccc23)n1 10387544 AANQZLTVALNHIU-UHFFFAOYSA-N 354.414 2.067 0 40 FEAB CCc1cccc(C)c1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 22409524 YUPYFHRTADWVBA-UHFFFAOYSA-N 354.453 2.006 0 40 FEAB C[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 12761820 IYLIAPDVVAWFHG-SJKOYZFVSA-N 373.840 2.270 0 40 FEAB Cn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1cnccn1 20717818 UYQKRVZHFYRMDD-CQSZACIVSA-N 352.423 2.318 0 40 FEAB COc1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1OC 13002949 KJASUNYUZNFRED-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)Nc1c(F)cccc1F 6345807 QGLVDNMQSGTHOS-UHFFFAOYSA-N 350.321 2.165 0 40 FEAB CC(C)OCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435508 MNWFZEFQEUJNIH-SFHVURJKSA-N 374.412 2.343 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1 14095181 BCYNTKUTTITRCS-NSHDSACASA-N 364.389 2.303 0 40 FEAB CCOc1ccc2nc(NC(=O)CCC(=O)N3CCOCC3)sc2c1 14199941 UMYOOZOVFXIBLJ-UHFFFAOYSA-N 363.439 2.273 0 40 FEAB COC(=O)[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(OC)c(OC)c1 4547174 YWOVJYFCESYASS-INIZCTEOSA-N 373.361 2.046 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6636652 FIQWRSHSBWSNMP-OAHLLOKOSA-N 368.499 2.273 0 40 FEAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1ccc2c(c1)OCO2 8992630 VCXYACLWOLKZPU-UHFFFAOYSA-N 360.761 2.176 0 40 FEAB O[C@@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1cccc(Cl)c1 92857456 PKYHALKPZIICCC-AWEZNQCLSA-N 359.817 2.050 0 40 FEAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(F)c(F)c1 7704907 TULUBKJONJFFBW-UHFFFAOYSA-N 373.377 2.469 0 40 FEAB O=C(NCCNC(=O)C1C2CC3CC(C2)CC1C3)c1n[nH]c2ccccc12 89866536 ZPQADAHIWMXJEK-UHFFFAOYSA-N 366.465 2.481 0 40 FEAB C[C@@](O)(CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccco1 78376271 SDJBYLXUDYMGDJ-GOSISDBHSA-N 351.366 2.021 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 78581712 KZNYROOSWQJAKG-GRAKBVBRSA-N 352.475 2.118 0 40 FEAB Cc1nnc([C@@H](C)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)s1 95940059 FYLOHZIGFWAHNI-WBMJQRKESA-N 360.483 2.407 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N3CCOCC3)C(=O)[C@@H]2C1 408685498 QVQXZXTWLWIOAL-GDBMZVCRSA-N 354.406 2.005 0 40 FEAB CCC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244853 IBZPQWZRMHJEOJ-OAHLLOKOSA-N 355.504 2.221 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1Cl 408554873 VCNQQFRQKZBUBW-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB COc1cc2c(cc1OC)[C@@H](NC(=O)COc1coc(C)cc1=O)CC2 524729347 PMNZUQDFZHLTOC-AWEZNQCLSA-N 359.378 2.148 0 40 FEAB biogenic C[C@@]1(c2ccccn2)NC(=O)N(Cc2cccnc2C(F)(F)F)C1=O 530106254 WZGSVTOZOSVRCJ-HNNXBMFYSA-N 350.300 2.463 0 40 FEAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449847 YEGOSVJYPNLOMJ-GFCCVEGCSA-N 370.471 2.443 0 40 FEAB Cc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 30848161 JKYOAYJZMCPQCM-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218608334 QMKUWWLTFYZCKQ-ULQDDVLXSA-N 369.845 2.356 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 40161995 GVOWBKKZFBOXKQ-SFHVURJKSA-N 353.374 2.198 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H](c1ccccc1)n1cnnn1 80338614 GCCSCGDQHOGEGX-QGZVFWFLSA-N 351.366 2.063 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 223755216 OYUVSJOTQBBSGU-UHFFFAOYSA-N 367.398 2.426 0 40 FEAB Cc1nc(CNC(=O)Cn2cc(COc3cccc(F)c3)nn2)cs1 227169651 NBSSJWQEKYNOMK-UHFFFAOYSA-N 361.402 2.078 0 40 FEAB CSCC[C@@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 75157533 YQJCRCXATRZXHP-QGZVFWFLSA-N 373.540 2.032 0 40 FEAB Cc1cc(S(=O)(=O)NCCOc2ccccc2)ccc1N1CCCC1=O 224374682 QELSNXNTLZEDQN-UHFFFAOYSA-N 374.462 2.479 0 40 FEAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21 40283843 PYICURSEYXNRAE-QGZVFWFLSA-N 369.396 2.054 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@H](N(C)Cc2cccnc2)C[C@H]1C(=O)O 96198760 BYPZVGBUHBPZEP-CVEARBPZSA-N 357.410 2.173 0 40 FEAB Cc1n[nH]cc1C1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 582721505 OHYMHUZUNJILJU-UHFFFAOYSA-N 350.426 2.248 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247944164 QJTFOSXNKMYYRM-OAHLLOKOSA-N 364.873 2.293 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257279394 OGJARLZJPYXNPL-LJQANCHMSA-N 358.442 2.215 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257306812 SWAUDNATFVYANG-OAHLLOKOSA-N 366.421 2.069 0 40 FEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC[C@H]2CCCO2)Nc2ccccc21 257228327 FTKQZEGZNOQBTM-DUULUZSPSA-N 369.465 2.270 0 40 FEAB CCCn1cc(CN2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257249050 JGMJNJRABHDAMS-AWEZNQCLSA-N 351.476 2.147 0 40 FEAB C[C@@H]1Oc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc2NC1=O 252502652 USKUOWUOJRTPKL-JTQLQIEISA-N 352.437 2.288 0 40 FEAB Cn1cccc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1=O 253406154 UGBASHLPMUONME-QGZVFWFLSA-N 360.460 2.174 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257201905 AJOZSZQKHSGANT-KRWDZBQOSA-N 351.410 2.454 0 40 FEAB CN(C(=O)c1cc2ccccc2nc1O)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257329677 XKZHRJSQNPONMA-KZNAEPCWSA-N 355.438 2.000 0 40 FEAB Cn1cc(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)cn1 257221098 DNLVYJSGYVSXBQ-PXNSSMCTSA-N 352.438 2.216 0 40 FEAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)n1 253477064 CRVMYHWFPDQKPD-ZDUSSCGKSA-N 360.439 2.003 0 40 FEAB CC(C)n1c([C@@H]2CCCN(C(=O)[C@H]3C[C@H](O)CN3)C2)nc2ccccc21 262304435 ATBOLAZVFDKBDR-HLLBOEOZSA-N 356.470 2.046 0 40 FEAB O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1nc(-c2ccccc2)no1 631388522 JMVVPBLXJFILNY-LLVKDONJSA-N 368.315 2.020 0 40 FEAB CCN(C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccccc1 1133574332 WPPTVPRWGAIACC-INIZCTEOSA-N 351.406 2.282 0 40 FEAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CS2)C1 575402607 CMMUAEYBXPFBEG-HNNXBMFYSA-N 356.513 2.206 0 40 FEAB O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1ccccc1F 585097660 PDWLAEFGIQINSJ-CQSZACIVSA-N 356.401 2.059 0 40 FEAB Cc1noc(COC2CN(C(=O)NCCc3cccc4[nH]ccc34)C2)n1 585088729 IGGQDTYBXISUSV-UHFFFAOYSA-N 355.398 2.012 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21)c1ccco1 585111759 ASNXEDJFZOAZOV-MRXNPFEDSA-N 351.410 2.248 0 40 FEAB CCOc1ccccc1OC1CCN(C(=O)CN(C)c2cnccn2)CC1 55623087 VONUYVCTOTZENF-UHFFFAOYSA-N 370.453 2.382 0 40 FEAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 7077978 GDGPETUYFCZOTH-PBJWJZLWSA-N 351.380 2.476 0 40 FEAB COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=S)Nc1ccccc1 5215522 NNJKRZBHSBAUTK-KKUMJFAQSA-N 361.467 2.058 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)N4CCCC[C@H]4C)c(=O)n3c2c1 12181536 BUMMVCVKDUXRPM-CQSZACIVSA-N 368.437 2.367 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374066 YBYWASJPHZXMKH-CQSZACIVSA-N 367.453 2.403 0 40 FEAB CCOc1ccc(CN(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 14197005 OTQBCHUYJXURDV-UHFFFAOYSA-N 363.439 2.397 0 40 FEAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)NC[C@@H](C)O)CCOCC2)C1 19236957 PLORORJDYQVXAH-CVEARBPZSA-N 360.454 2.172 0 40 FEAB CCc1cc(CNC(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)on1 19522825 FDJNBKYQZGRGAT-OAHLLOKOSA-N 369.421 2.302 0 40 FEAB COc1ccc2cc(CN3C[C@H]4CCCN4C[C@@H]3CCO)c(OC)nc2c1 19563970 KYCUZRUUWPFQBY-MSOLQXFVSA-N 371.481 2.283 0 40 FEAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)Cc1ccccc1 19696484 ZQLMKBKDIZDYJV-UHFFFAOYSA-N 360.417 2.144 0 40 FEAB CN(C)C(=O)c1ccc(C2CCN(CC(=O)Nc3nccs3)CC2)nc1 19705794 VAMQBGFKVDSGEZ-UHFFFAOYSA-N 373.482 2.058 0 40 FEAB Cc1nc(N2CCCCC2)ncc1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 19714785 BTNCUCDORIMXSB-CYBMUJFWSA-N 370.501 2.487 0 40 FEAB CCCOc1ccccc1-c1cc(C(=O)N2CCNC(=O)[C@@H]2CC)[nH]n1 19715589 KEYZHQUQIMGHJY-INIZCTEOSA-N 356.426 2.216 0 40 FEAB Cc1ccccc1NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 3089132 WMLFSVICYOCFIM-INIZCTEOSA-N 355.394 2.104 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](N(C)c3ncc(C)cn3)C2)cc1 1889152019 QPMWJLDKZZEOBY-SFHVURJKSA-N 367.453 2.484 0 40 FEAB CCOc1cc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c(C)cc1OC 2037984030 NUPRMUZOIXUHKH-IRXDYDNUSA-N 362.470 2.081 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1OC 100039751 YJWKFEOPTCAJCT-QMWCDGKBSA-N 353.418 2.299 0 40 FEAB C[C@]1(C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)CC=CCC1 1614936019 TVXQEPVCVMGZMR-IBGZPJMESA-N 352.442 2.374 0 40 FEAB CCOc1ccccc1C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250775 XULUIARRFNZXIB-UHFFFAOYSA-N 355.398 2.131 0 40 FEAB Cc1cc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)no1 2055713411 LKLXNKCGDAGWHJ-UHFFFAOYSA-N 369.425 2.080 0 40 FEAB COc1ccc(CN2CCc3nc([C@H]4CCNC4)ncc3C2)c(OC)c1 19552475 MDNBLJCLVOHJDL-AWEZNQCLSA-N 354.454 2.129 0 40 FEAB C[C@@H](CNC(=O)NCCNC(=O)c1ccccc1F)N1CCCC[C@H]1C 50111710 FJZPRZFGQWWOKF-CABCVRRESA-N 364.465 2.118 0 40 FEAB COC(=O)C1(OC)CCC(c2nc(C)cc(=Nc3cc(C)[nH]n3)[nH]2)CC1 1857793780 OUAPGTCAGWBGJT-UHFFFAOYSA-N 359.430 2.198 0 40 FEAB CCCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2409236 ILPJJDCXDUNTNG-SFHVURJKSA-N 374.466 2.297 0 40 FEAB CN(CC(=O)N(CCc1ccc(F)cc1)C1CCCC1)S(C)(=O)=O 83857442 NSNMJDJJCFPBRC-UHFFFAOYSA-N 356.463 2.031 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)NCCc2ccccc2)C1 3893351 HDRQJSZCCUNXEC-SJORKVTESA-N 353.491 2.385 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 4884386 CSAHFFLFTMSDAT-UHFFFAOYSA-N 374.418 2.183 0 40 FEAB Cn1ncc2c(SCCC(=O)Nc3ccc4c(c3)OCO4)ncnc21 11685877 QEEOIGSANPSTQK-UHFFFAOYSA-N 357.395 2.213 0 40 FEAB CCN1CCN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)CC1 6953534 INGOOSPXPGMZDU-UHFFFAOYSA-N 361.511 2.001 0 40 FEAB Nn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1 7977580 LCUJDFPWPJKFTL-UHFFFAOYSA-N 373.413 2.441 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1ccc(Cl)cc1O 102082693 BOSTVRLNGVRLQM-SLHULYQBSA-N 372.808 2.037 0 40 FEAB COc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1OC 8304194 MCMKUONMLYXXCM-UHFFFAOYSA-N 369.425 2.007 0 40 FEAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)S1 9386762 DMWIXXOILXHEPP-CQSZACIVSA-N 365.455 2.372 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(-n2ccnc2)nc1 33044079 BOHSPEZTVNAUAL-FZKQIMNGSA-N 350.378 2.112 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccsc1)CC(=O)N2 33271406 HWEQVTBLJRYVQM-LBPRGKRZSA-N 365.422 2.462 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102205321 SHFFDPCSBXJBFC-DSDXBANLSA-N 374.462 2.433 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCc1ccc3c(c1)OCO3)C(=O)C2 100169470 IIKJBCGNWZMXPZ-ACJLOTCBSA-N 365.451 2.230 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)n(C)c1 26088874 JKYNITHBWVEVPL-UHFFFAOYSA-N 370.862 2.356 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)/N=c1\sccn1C 29649796 ZEEXCYHDLKULCS-SFKFPXOQSA-N 353.394 2.247 0 40 FEAB COc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12630159 ABYBZHBHOHTNHO-KRWDZBQOSA-N 365.393 2.303 0 40 FEAB Cc1ccc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 12859129 VYKROKMKALFHCD-NRFANRHFSA-N 363.417 2.220 0 40 FEAB C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 12820290 QWEYRKRQTXQRDQ-KRWDZBQOSA-N 351.516 2.486 0 40 FEAB COc1cc(C(=O)N2CCc3cc(C(=O)O)ccc32)cc2c1OCCO2 13449994 MLHDCIHJFUKTFP-UHFFFAOYSA-N 355.346 2.368 0 40 FEAB Cc1cccc(OCC(=O)Nc2ccc(N3CCOCC3)c3nonc23)c1 13744480 KGHKVSIHVKRHFR-UHFFFAOYSA-N 368.393 2.385 0 40 FEAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(F)cc1 6107556 LUSUTQHGNXLZKV-SSDOTTSWSA-N 372.472 2.374 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccccn2)cs1 18324269 ZGBLMESKSPROLP-VXGBXAGGSA-N 370.434 2.319 0 40 FEAB CC1CCC(NC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)CC1 7134653 ARZWAASAMSTJKF-UHFFFAOYSA-N 371.528 2.119 0 40 FEAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 16001205 SIYODYKRWXQSBY-UHFFFAOYSA-N 364.409 2.397 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2OC)c1C 8985810 RZOWIRYPNGXOKJ-UHFFFAOYSA-N 360.366 2.222 0 40 FEAB COc1ccc(OCCNC(=O)CCN2C(=O)COc3ccccc32)cc1 7816162 FGCVRFOBQLXNNJ-UHFFFAOYSA-N 370.405 2.006 0 40 FEAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1 8015841 WBIRGJBBJJOWCF-UHFFFAOYSA-N 363.870 2.480 0 40 FEAB CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)CCS1 72305254 UVPAALIPRJUGQY-DZGCQCFKSA-N 370.540 2.491 0 40 FEAB CN(C)c1ccc(-c2ncnc3c2CN(S(=O)(=O)C2CC2)CC3)cc1 306135851 PCRDUQVWIBIZKU-UHFFFAOYSA-N 358.467 2.060 0 40 FEAB COc1cc(OC)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)O)c1 60362429 DUNFDXYUYAHHKN-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CCS(=O)(=O)N1CC[C@]2(CN(Cc3ccccc3)c3cccnc32)C1 306123126 AFFQKMZDZMDKLT-IBGZPJMESA-N 357.479 2.395 0 40 FEAB O=C(c1ccc(Br)cc1F)N1CCOC[C@@H]1c1ncon1 95981347 SNTQXXJIMUHQFY-LLVKDONJSA-N 356.151 2.185 0 40 FEAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCC[C@H](N(C)C)C1 89314025 HVHGFHYKPUJSLH-CABCVRRESA-N 363.527 2.470 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408560080 BUTFTWLSUBGGBD-UHFFFAOYSA-N 372.805 2.405 0 40 FEAB COc1cc(OC)cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1 218899306 CMPYDMUOJIKIKK-UHFFFAOYSA-N 369.377 2.449 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)N1CCc3ccccc31)C[C@@H]2O 30588462 HZQQCTLTMBJJMC-KRWDZBQOSA-N 368.433 2.142 0 40 FEAB Nc1nccc(C2CCC(CNC(=O)[C@@H](N)Cc3ccc(F)cc3)CC2)n1 72380001 BPIHAKZYWIDJBD-DQPZFDDXSA-N 371.460 2.158 0 40 FEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217502284 GNRJBCWHGDABQC-TZMCWYRMSA-N 370.471 2.443 0 40 FEAB COc1ccc2cc(C)c3nn(CN4C[C@@H](C)O[C@H](C)C4)c(=O)n3c2c1 72347005 ZATJKEKZBYFUTB-ZIAGYGMSSA-N 356.426 2.033 0 40 FEAB O=S(=O)(NCCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 223977008 UYMGKYAJJAOIHZ-UHFFFAOYSA-N 369.826 2.469 0 40 FEAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 223175785 GLLVSKSJQNKTDY-MRXNPFEDSA-N 368.499 2.406 0 40 FEAB Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)NCc1ccco1 46153710 FGPMMZUBWPVQBS-UHFFFAOYSA-N 354.391 2.224 0 40 FEAB CCOCCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223210567 OXYPPTDQLSXUIM-UHFFFAOYSA-N 356.488 2.084 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)N=C1C 96261514 AYXNCSBZCDCKND-OXFYSEKESA-N 359.445 2.313 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)NCc1cccs1 96207030 VUSLESXDWVSTRH-APWZRJJASA-N 357.479 2.298 0 40 FEAB COc1ccc(CN2CC[C@@]3(CCCN(C(=O)NC4CC4)C3)C2=O)cc1 96074105 NWMJZEGEDPRINH-HXUWFJFHSA-N 357.454 2.382 0 40 FEAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1nc(C(C)(C)C)cs1 330645919 INXXBROOZCYSSK-NSHDSACASA-N 373.544 2.289 0 40 FEAB CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)c1cccnc1)CC2 96146975 KSYNSVONYPSARZ-UHFFFAOYSA-N 358.467 2.165 0 40 FEAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)COc1ccccc1 96197875 KETWFBDRKRIVGO-GOSISDBHSA-N 355.438 2.444 0 40 FEAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)CCc1ccccc1)C2 96071523 ACGQFLKYAYTGOZ-SFHVURJKSA-N 350.484 2.036 0 40 FEAB CO[C@H]1CC[C@H](C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)CC1 257253545 JZIGTJXPUMTSCV-JCNLHEQBSA-N 369.469 2.426 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccc(C)cc1 257254941 KFJVDEDQOIUXLL-QUCCMNQESA-N 357.498 2.459 0 40 FEAB Cn1cc(CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c2ccccc21 257303333 SGUDAFZKIZSSQX-WOJBJXKFSA-N 350.418 2.372 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2cccnc2-c2cccc(C(=O)O)c2)C1 257314023 UVBIIXRSOVQOPG-ZDUSSCGKSA-N 360.435 2.271 0 40 FEAB O=C([C@@H]1CC[C@H](C(=O)N2CCN(C3CC3)c3ccccc32)O1)N1CCCC1 613709819 ONJNXGDCLDVVAT-RBUKOAKNSA-N 369.465 2.172 0 40 FEAB CCc1nc(C)cc(N2C[C@@H]3CN(CC(=O)NC4CCCC4)C[C@]3(C)C2)n1 1616034183 YDUMGNGGWDIRDZ-HRAATJIYSA-N 371.529 2.164 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2Cl)C1 1119524333 KWBDHKXEBYGENL-LRDDRELGSA-N 370.840 2.305 0 40 FEAB COc1ccc(-c2cncc(C(=O)Nc3nn(C)c(C)c3CN)c2)c(C)c1 638401306 BFMDCSOAHHGTGB-UHFFFAOYSA-N 365.437 2.819 0 40 FEAB O=C(NC[C@@H]1CCCO[C@H]1c1cc[nH]n1)c1cc2nccnc2cc1F 644185707 YHVLAZOGXNRFTN-APPDUMDISA-N 355.373 2.390 0 40 FEAB COc1ccc(-c2n[nH]c(CNC(=O)C3(C(=O)O)CC4(CCC4)C3)n2)cc1 659122471 UETTXEGONHIFTP-UHFFFAOYSA-N 370.409 2.132 0 40 FEAB COc1cccc([C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C(=O)O)c1 659173056 AAKPSVCZADWNDS-SFHVURJKSA-N 368.389 2.160 0 40 FEAB COC[C@@H](C)S(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 668246899 QLZMJNSMLMXIDF-NEPJUHHUSA-N 359.410 2.032 0 40 FEAB CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)c1ccnn1C 682669479 DKSJUYJOUYTBFP-LLVKDONJSA-N 350.369 2.193 0 40 FEAB COCC1(CC(=O)N(C)[C@@H]2CCCN(C(=O)c3cc(C)no3)CC2)CC1 1775990165 VOFGTLLFXFSHJN-OAHLLOKOSA-N 363.458 2.253 0 40 FEAB Cc1cc(CN(C)C(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)no1 585281331 WFSAPXSZCPDTSV-QRVBRYPASA-N 357.454 2.213 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 585095320 MNYQJEKSDRXQAM-SJFHUFEGSA-N 356.470 2.119 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCC1 585284707 ZBPUQBXUBCOPAQ-SFHVURJKSA-N 373.852 2.226 0 40 FEAB CCc1c(C(=O)Cn2c(-c3cccnc3)noc2=O)[nH]c(C)c1C(C)=O 68919920 PFOKLXOLCGKRHF-UHFFFAOYSA-N 354.366 2.183 0 40 FEAB COc1cccc(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1 5153538 JDZXSZKEUYIHFM-UHFFFAOYSA-N 372.446 2.009 0 40 FEAB CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1 15005072 HFMKJGGFSAULFX-UHFFFAOYSA-N 358.341 2.363 0 40 FEAB CC1(C)Cc2cc(CN3CCC[C@H]3c3nnc4n3CCNCC4)ccc2O1 19710665 JSMQVCJEJZULJG-KRWDZBQOSA-N 367.497 2.474 0 40 FEAB CC(=O)N1CCC(c2nnc3n2CCN(Cc2ccccc2C)C3)CC1 19711231 FXGZWFYCGHPCMS-UHFFFAOYSA-N 353.470 2.328 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868771 XBRXSCVYMVJDQZ-YJNKXOJESA-N 368.524 2.454 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(OC(F)F)cc1 9749984 BKFNEBKTCQGJFN-UHFFFAOYSA-N 359.332 2.383 0 40 FEAB Cc1cc(N(C)C)nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1 1889096030 KIZLOICHCQXSDH-UHFFFAOYSA-N 353.474 2.235 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccccc3)c2c1 28775423 NLBVIPVQZYZJCU-UHFFFAOYSA-N 360.439 2.091 0 40 FEAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 35343797 MZCDUWZFZLIGCD-KRWDZBQOSA-N 363.461 2.422 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1565555453 IBDSLYBCNOOILJ-SFTDATJTSA-N 368.481 2.078 0 40 FEAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1 10252811 GTUISIWMBVULDV-UHFFFAOYSA-N 363.420 2.383 0 40 FEAB COC(=O)c1ccsc1NC(=O)CS(=O)(=O)Cc1ccccc1 10619303 OBDGOBZVOHZTPL-UHFFFAOYSA-N 353.421 2.088 0 40 FEAB O=C(Cc1ccccc1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 13854727 HZCVEOCSZRQRHL-UHFFFAOYSA-N 365.433 2.124 0 40 FEAB O=C(NCc1nccc(N2CCCC2)n1)c1ccc(Br)o1 211094104 ZMZPKSHXUPXKQK-UHFFFAOYSA-N 351.204 2.362 0 40 FEAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1)C[C@@]1(CCCN(C)CC1)O2 12365632 PLKTWAMSIWBKKL-RXVVDRJESA-N 373.497 2.023 0 40 FEAB CCOC(=O)c1c(O)c2cnc(SC)nc2n(Cc2ccccc2)c1=O 100227148 OOFVXQPUOCGAJP-UHFFFAOYSA-N 371.418 2.444 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c2ccccc12 20220222 BEWBLEPAPUADIJ-UHFFFAOYSA-N 365.389 2.008 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 795870 LQGRTQOBOYGEQK-UHFFFAOYSA-N 368.499 2.258 0 40 FEAB C[C@H](NCc1ccccc1Cn1cccn1)C(=O)NC(=O)NC(C)(C)C 28889980 FBBANGBXLHOXLW-AWEZNQCLSA-N 357.458 2.034 0 40 FEAB O=C(NCc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)nc1CO 21172857 MROLEVIWTVEERW-UHFFFAOYSA-N 360.776 2.482 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101958030 RNSAKRHYCKLORM-AUZPSNTRSA-N 374.466 2.187 0 40 FEAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)O[C@H](C)C1 32633721 RMKQLQYHJFCRAO-KHYOSLBOSA-N 371.481 2.487 0 40 FEAB C[C@@H](NC(=O)N1CCc2sccc2C1)c1ccc(S(N)(=O)=O)cc1 10276408 YACGSLBBWWMNNQ-LLVKDONJSA-N 365.480 2.224 0 40 FEAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)o1 100119362 HMUJNPGRFCLLOC-KBPBESRZSA-N 364.405 2.231 0 40 FEAB CC[C@@H](OC(=O)CNC(=O)c1ccc(C)s1)C(=O)NCc1ccccc1 21976760 ARIROTSPAKXLLR-OAHLLOKOSA-N 374.462 2.425 0 40 FEAB Cc1c(Cl)c(CN2CCN(CC(=O)N(C)C)CC2)nc2ccccc12 22239319 XUYRQJCZOBEZAN-UHFFFAOYSA-N 360.889 2.402 0 40 FEAB CN(C(=O)/C=C/c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 46742921 MFAANYHWLMHDHU-RPTYSRGTSA-N 363.357 2.244 0 40 FEAB CNC(=O)c1nn(CN(C)[C@@H]2CCc3ccccc32)c(=O)c2ccccc12 22758656 PYHDLCBXMDMOKQ-GOSISDBHSA-N 362.433 2.333 0 40 FEAB Cc1cc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1Cl 23641791 UEVFFIVKQOORQZ-UHFFFAOYSA-N 365.817 2.313 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cs1 24468438 CMOUBHSHWDHING-UHFFFAOYSA-N 373.450 2.236 0 40 FEAB CC(C)[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N1C[C@H](C)O[C@H](C)C1 106530344 BRJKSODYLXEQFL-RVKKMQEKSA-N 372.469 2.487 0 40 FEAB CN1C(=O)c2ccc(NC(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2C1=O 107326568 VACYEPHAFUCAHF-AVGNSLFASA-N 370.405 2.220 0 40 FEAB COc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc(OC)c1OC 58201300 YWSOVCBBJYNQGL-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB O=C(CCn1ccnc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 58306179 UZGZIKUNYGGHJU-QGZVFWFLSA-N 362.861 2.116 0 40 FEAB C[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)NCc1ccco1 58313535 UTIMPXPKYDZDHY-HUUCEWRRSA-N 370.453 2.207 0 40 FEAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1nc2ccccc2[nH]1 12628416 DRGDWUCXRQBHPU-UHFFFAOYSA-N 364.405 2.385 0 40 FEAB COC(=O)c1ccc(COC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3345767 HPFMCEUHUVSLJC-UHFFFAOYSA-N 352.346 2.077 0 40 FEAB O=C(Cc1ccc(F)cc1)Nc1cccc(Cn2nc(O)ccc2=O)c1 48203917 YLVBPWZSVJASKN-UHFFFAOYSA-N 353.353 2.318 0 40 FEAB CC(C)NC(=O)CN(C)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 8184047 GJHVWXIGTSRQQS-UHFFFAOYSA-N 364.427 2.015 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cn1 12984479 VYHOCEYEQQCRFQ-NTEUORMPSA-N 371.462 2.149 0 40 FEAB Cn1cccc1Cc1nnc(SCc2cc(=O)n3ccsc3n2)n1C 13325570 CTKRMIJBIXOXHK-UHFFFAOYSA-N 372.479 2.106 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)NC1CC1 4073844 AOZCEDAJYIAFAG-PBHICJAKSA-N 362.451 2.331 0 40 FEAB biogenic COc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 4158925 KZRUEWQPSFDTAX-IAGOWNOFSA-N 361.419 2.130 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)COCCOc2ccccc2)C[C@@H](C)O1 49624092 GCHRXUOBZDKYJC-CALCHBBNSA-N 364.486 2.086 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4371874 SMLKJICDHLUSRA-GYSYKLTISA-N 371.340 2.247 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5557951 APXKNGYHQLXJKZ-MRXNPFEDSA-N 366.417 2.170 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CSc2nnnn2CC(C)C)cc1 28456621 ONBJRNBKBUNZTD-AWEZNQCLSA-N 350.444 2.064 0 40 FEAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1 7651993 WDHZDUMSAKJJIZ-UHFFFAOYSA-N 351.255 2.284 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ncn[nH]2)cc1 89984867 XEZZRJBFDDMFEZ-UHFFFAOYSA-N 372.406 2.449 0 40 FEAB COc1ncc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1C(N)=O 83915248 KUXYCXFKMMFEEL-UHFFFAOYSA-N 365.393 2.261 0 40 FEAB Cc1ccc(SCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 9889090 OFTZEBWHOCGYOR-UHFFFAOYSA-N 372.446 2.362 0 40 FEAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2F)c1C 72306293 BTTCDCNFAWHIOI-UHFFFAOYSA-N 366.370 2.040 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1nccn1C 72781748 YETBLGXFWGFDGR-INIZCTEOSA-N 364.396 2.111 0 40 FEAB COC(=O)C(C)(C)NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1 95393767 ONGRFGNZIKBEAR-UHFFFAOYSA-N 358.416 2.179 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(F)ccc1F 20013247 UKTLMCBXFVCIER-UHFFFAOYSA-N 368.405 2.408 0 40 FEAB Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 95943972 AVEKNLUBMDYVMQ-LJQANCHMSA-N 360.410 2.473 0 40 FEAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)O)C1 95969512 BQLYBJYWDIDOGK-RYUDHWBXSA-N 368.430 2.209 0 40 FEAB C[C@@]1(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CCOC1 95959358 LHPGBYDMUUWCBK-IBGZPJMESA-N 361.442 2.329 0 40 FEAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1 409218291 HQCPQYQMIBSEGP-UHFFFAOYSA-N 364.357 2.220 0 40 FEAB Cc1nc(COCC[C@H]2CO[C@H]3CN(c4ncc(F)cn4)C[C@@H]23)cs1 306137153 QMXDCKDHKYGAKU-RCBQFDQVSA-N 364.446 2.439 0 40 FEAB CC(C)CN1C[C@@H](c2cn(C)cn2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 306134732 NWNHERGUEBCHFA-GHTZIAJQSA-N 367.497 2.289 0 40 FEAB CCOC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccc(F)cc2)CC1 36622710 IPMKKFQPPBMOJF-VMPITWQZSA-N 365.430 2.014 0 40 FEAB Cc1nc(-c2cncnc2[C@H]2CCCN(C(=O)c3cccnc3)C2)no1 72356076 AYYHCGVETLEZSX-AWEZNQCLSA-N 350.382 2.250 0 40 FEAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCN(C)CC1 78578804 UIFNMVDBGOIATD-KRWDZBQOSA-N 355.482 2.361 0 40 FEAB COCC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 72360283 CNOHGOSDFBGTLZ-OAHLLOKOSA-N 370.457 2.288 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218172757 OQHKJWXXPITCAS-ULQDDVLXSA-N 360.387 2.364 0 40 FEAB Cc1cc(=O)n2nc(N3CCN(c4cccc(C)c4C)CC3)sc2n1 40039755 BHGAEFQAFKUWRA-UHFFFAOYSA-N 355.467 2.403 0 40 FEAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCc1ccc2c(c1)OCO2 225746769 ZSODWOZUEUDBFN-UHFFFAOYSA-N 350.374 2.355 0 40 FEAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 42383182 RHHXCCGVGUMVTN-UHFFFAOYSA-N 350.287 2.496 0 40 FEAB COCc1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 223667513 MDAORUOIAHXWGX-UHFFFAOYSA-N 366.414 2.377 0 40 FEAB NC(=O)Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 225860146 VRBGPQBZWLSOGZ-UHFFFAOYSA-N 361.401 2.228 0 40 FEAB COc1cccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)n(C)n2)c1 42384189 GSPVGGFEPQATGG-UHFFFAOYSA-N 350.378 2.447 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)Cc2ccccc2)C1 96244412 BGVUWZKCYJZLIZ-OAQYLSRUSA-N 366.465 2.094 0 40 FEAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108789 DXPUECCLUNFFIM-SJLPKXTDSA-N 352.500 2.343 0 40 FEAB Cc1cc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3ccncc3)C2)c(C)o1 96075087 UVTZOGLUZBSQGT-FXAWDEMLSA-N 353.422 2.460 0 40 FEAB COc1cccc2c1ccn2CCC(=O)/N=c1\[nH]nc([C@@H]2CCCO2)[nH]1 95476128 RBXJSRFIBYCUEO-HNNXBMFYSA-N 355.398 2.070 0 40 FEAB CC(C)NC(=O)N1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 96260588 NKWFOESPZFQXJT-UHFFFAOYSA-N 373.501 2.124 0 40 FEAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 247865061 AINOKARUQDIYPO-SFHVURJKSA-N 372.444 2.253 0 40 FEAB Cn1cncc1CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 257262996 LNXOLQLEALZAFC-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CN2CCN(C3CCCC3)CC2)n1 257212369 CDBOLQWIAANKCV-HXUWFJFHSA-N 357.502 2.220 0 40 FEAB Cn1ccnc1[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@H]1N 1615591414 NRPCIALRSPBRMG-IAGOWNOFSA-N 361.449 2.413 0 40 FEAB Cc1cnc(OC2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)nc1 656214379 UFJMSWOBZSYCQD-HNNXBMFYSA-N 370.457 2.214 0 40 FEAB O=S1(=O)C[C@H]2[C@H](C1)N(Cc1ccccc1)CCN2Cc1ccccc1 575425007 WPVDFCJDJIQLQI-PMACEKPBSA-N 356.491 2.170 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)Cn3nc(C)cc3C)C2)c1 585272116 LBCUNBHCAFADPI-FQEVSTJZSA-N 357.454 2.241 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)n1 585105339 UJFDHTGGDSYSEH-OAHLLOKOSA-N 356.451 2.097 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)c1cccnc1 585112346 NQGZMCVZHMICAQ-MRXNPFEDSA-N 351.410 2.248 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@](O)(COc2cccc(F)c2)C1 585272619 OGRCIOQUYDYDKS-LJQANCHMSA-N 355.369 2.358 0 40 FEAB Cc1ccccc1CCNC(=O)c1nc(N2CCOCC2)ncc1Cl 55557050 ZYYMJHBKNXHSLF-UHFFFAOYSA-N 360.845 2.248 0 40 FEAB CCc1c(C)nc(SCC(=O)Nc2ccc(NC(C)=O)cc2)[nH]c1=O 5021626 JBUOIPLGDQHSRX-UHFFFAOYSA-N 360.439 2.330 0 40 FEAB COc1ccc(C2(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)CC2)cc1 12114790 VULPEODVGGVSDE-UHFFFAOYSA-N 363.421 2.266 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccc(C(=O)N(C)C)cn2)C1 19705889 HOENTSDZBWULQR-INIZCTEOSA-N 370.453 2.337 0 40 FEAB O=C(N1CCN(c2cc3c(nn2)CCC3)CC1)C1(c2ccc(F)cc2)CC1 575606927 HMPVGAHWJQFOEO-UHFFFAOYSA-N 366.440 2.485 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCC1)c1ccc2c(c1)CCO2 244969161 HBSFLEUTPOXBHG-MRXNPFEDSA-N 364.492 2.408 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838271 AHIMBHXQNSJADK-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840374 LJJULUCXLJHWES-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB Cc1nc2ccccc2nc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 30003834 WFPOYVNHYWTUAE-IBGZPJMESA-N 361.449 2.287 0 40 FEAB COc1ccc(CN(C)CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc1 11288567 YSZDZMGFNYXTNM-UHFFFAOYSA-N 370.409 2.212 0 40 FEAB C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N(C)C 11484646 VVVKLVVSNHVASQ-ZDUSSCGKSA-N 363.487 2.479 0 40 FEAB CCOC(=O)[C@](NC(=O)N1CCOCC1)(c1ccccc1)C(F)(F)F 4208155 IWQZRRLSGXFXHM-OAHLLOKOSA-N 360.332 2.049 0 40 FEAB CC1=NN(C(=O)c2ccccc2O)[C@](O)(C(F)(F)OC(F)(F)F)C1 6394785 DFCQQMFPYPOUFC-LLVKDONJSA-N 354.231 2.432 0 40 FEAB CC(C)(C)SCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 6322782 PYTFRFHRKZBXNY-UHFFFAOYSA-N 362.492 2.240 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCCC[C@@H]2CC)c1=O 57478847 ORTPQIUJHFLBBQ-ZDUSSCGKSA-N 363.483 2.426 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccncc3)CC2)CN1Cc1cccnc1 108529572 RHEGPXPXBKDUTM-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)on1 32756885 UVUOIEUDEAGDFN-UHFFFAOYSA-N 351.410 2.331 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)/N=c2\cc[nH]n2C(C)C)c1C 103137049 XBCPBXRUUJCPAF-SBGWBMIRSA-N 360.414 2.217 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1cccs1 46814079 LZJFLNIVVVTKQC-ZDUSSCGKSA-N 368.505 2.128 0 40 FEAB CC(C)[C@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 41931174 KDSNVSBAOIAJOV-SJORKVTESA-N 352.500 2.214 0 40 FEAB CC(C)CN(Cn1nc(C(C)(C)C)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 22757625 BMPPSIOSAAUAFK-GFCCVEGCSA-N 360.549 2.341 0 40 FEAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(N)=O)cc1 22231979 XKYLSPBFUVZJEO-UHFFFAOYSA-N 368.842 2.170 0 40 FEAB Cc1ccccc1-n1c(C)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S 12534847 RCVLCETVEFTERS-CQSZACIVSA-N 366.512 2.097 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)s1 12545609 KPGPTRGAXYPAHL-ZDUSSCGKSA-N 365.480 2.491 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCCc2c(C)cc(C)cc2C)CC1 55488871 DPLDTGHLKVZRNW-UHFFFAOYSA-N 366.527 2.332 0 40 FEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CC(=O)N(c2ccccc2F)C1 25009088 PWGDMJDGPUEICN-ZDUSSCGKSA-N 365.368 2.398 0 40 FEAB COc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1OC 25283075 JDCCNUVNAFERTN-UHFFFAOYSA-N 359.426 2.267 0 40 FEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 56039500 FJCNZOFAHYNTKO-FQEVSTJZSA-N 368.433 2.340 0 40 FEAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)N1CCO[C@@H](c2ccccc2)C1 77671045 IESWIJYXEWFHAR-YLJYHZDGSA-N 373.497 2.270 0 40 FEAB NC(=O)c1cccc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1 25821150 OBHGRWWDUPNJGQ-IBGZPJMESA-N 367.430 2.031 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc2c1OCCO2 57116706 YQSODUZLFHOHJN-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB COc1ccc(-n2cc(C(=O)NCc3ccc(OC)cc3OC)nn2)cc1 44167854 OWZLXYQAOMGAJU-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB CN(C(=O)CNc1cccc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 57991757 DAVDJNMTXKYQPR-OAHLLOKOSA-N 366.483 2.065 0 40 FEAB C[C@@H](NS(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 58154414 ZXJDOWIJHDDIMT-BDJLRTHQSA-N 369.439 2.335 0 40 FEAB O=C(NCc1cn2cc(Br)ccc2n1)c1ccc2[nH]nnc2c1 58177766 AMUFYLQTJKLWFC-UHFFFAOYSA-N 371.198 2.298 0 40 FEAB COc1ccccc1S(=O)(=O)NCc1nc(Cc2ccccc2)no1 58202582 WQNDYVGWWLAKLY-UHFFFAOYSA-N 359.407 2.148 0 40 FEAB COC(=O)CCN(Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O 58298111 LKMYVSIKQCSIBY-UHFFFAOYSA-N 373.453 2.264 0 40 FEAB O=C(CNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)OCc1ccccc1 58357632 SUVJZBZTYLZGGX-QGZVFWFLSA-N 356.353 2.178 0 40 FEAB CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 28491794 OJQADCGVPLLJNY-OKILXGFUSA-N 354.472 2.014 0 40 FEAB CC(C)(C)NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 12783385 XFPSIDQIKQJZPX-UHFFFAOYSA-N 369.450 2.398 0 40 FEAB COC(=O)Nc1cccc(NC(=O)NCCCCN2CCOCC2)c1 48263803 TUAKFYMGQXCMSR-UHFFFAOYSA-N 350.419 2.099 0 40 FEAB C[C@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 12894755 FROPYFFOXVQBJJ-KGLIPLIRSA-N 360.483 2.346 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021921 IXTCTVMNUPUTKN-ULMVMLMRSA-N 373.428 2.002 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2cccc(Cl)c2)NC(=O)N[C@@H]1C 6052802 NXAPJMZIPSBYIO-SECBINFHSA-N 352.774 2.015 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc([C@H]3CCCO3)n[nH]2)cc1 14085707 CUWJIZDAWIZBQS-BXUZGUMPSA-N 362.455 2.462 0 40 FEAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 113879964 IIPQBGANBXPASE-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 14261298 RHWZSFSNQKRYSV-ZDUSSCGKSA-N 359.426 2.127 0 40 FEAB COc1cc(CCC(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1 14247621 GGPUXOWLHGJHGV-UHFFFAOYSA-N 355.438 2.380 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 6510031 RZGGFXHYFGLNQI-UHFFFAOYSA-N 350.371 2.075 0 40 FEAB COc1c2c(c(CNC(=O)c3ccccc3)c3c1OCO3)CCN(C)C2 6624655 XWQJEBPLPSCFIL-UHFFFAOYSA-N 354.406 2.342 0 40 FEAB biogenic Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(F)c1 4877467 AUASVOANPRYEBA-UHFFFAOYSA-N 371.441 2.249 0 40 FEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 5874518 DDGKNJSCNZXVNG-CQSZACIVSA-N 372.421 2.282 0 40 FEAB COc1ccc(COC[C@@H](O)CN(C)Cc2ccc3c(c2)OCCO3)cc1 7015496 LATBZKAKWBWNKB-SFHVURJKSA-N 373.449 2.476 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 8891884 KBYJKBJMAQJNCZ-IBGZPJMESA-N 361.417 2.241 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCNC(C)=O)cc2)n1 9726945 XXSJJBGIOCMXAO-UHFFFAOYSA-N 373.478 2.376 0 40 FEAB CCOC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CO)cc(=O)c1O 96335756 OLPNGGVYZUTSON-NSHDSACASA-N 354.305 2.201 0 40 FEAB Cc1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19928548 VSUATJSTEOMWQG-UHFFFAOYSA-N 367.449 2.480 0 40 FEAB Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(CN2CCCC2=O)c1 97144073 SICYOXCEDHWNHY-LJQANCHMSA-N 367.449 2.361 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCc1nc2ccccc2[nH]1 95479556 JEWAVNOQOPFAFE-UHFFFAOYSA-N 365.418 2.165 0 40 FEAB Cn1nc(-c2ccc(C(N)=O)cc2)nc1[C@@H](c1cccnc1)N1CCCC1 95522663 KDEIFAZXJRVBQF-QGZVFWFLSA-N 362.437 2.161 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 30915481 RZKHDLIEBIYBNK-OAHLLOKOSA-N 365.499 2.287 0 40 FEAB Fc1ccc(CN2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@@H]3C2)cc1 306138799 SHSWCXOFZHSZIQ-SJLPKXTDSA-N 354.429 2.224 0 40 FEAB COc1ccc(CCNC(=O)c2c(-n3cnnn3)sc(C)c2C)cc1 524733255 JUBYLZNMOUYDJV-UHFFFAOYSA-N 357.439 2.322 0 40 FEAB CCCNC(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1C 33287708 DEDLYLUKIGHRGU-UHFFFAOYSA-N 374.466 2.052 0 40 FEAB O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3ccncc3F)CCN12 77266702 ILSIIDZFVRYSOX-QGZVFWFLSA-N 358.392 2.482 0 40 FEAB biogenic,in-vitro CCOC(=O)c1cccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1 72057662 FXFNGPSWCIEQRW-UHFFFAOYSA-N 356.488 2.260 0 40 FEAB CCc1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)ccc1OC 225280357 NDQGMWKPAKOZIQ-CQSZACIVSA-N 363.435 2.376 0 40 FEAB Cc1nc(C)n(C[C@@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CCO2)n1 571778064 JRQXHYYOKANKNC-AWEZNQCLSA-N 374.445 2.458 0 40 FEAB CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1ccccc1F)C(=O)O 225157907 WQMZCVCKQPEPJY-HNNXBMFYSA-N 355.362 2.427 0 40 FEAB COc1cc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)ncn1 96161303 OUJNIFPKMCGOLF-UHFFFAOYSA-N 352.438 2.287 0 40 FEAB CCN(C)c1ccnc([C@H]2COCCN2C(=O)c2cc(C)nc(C)c2)n1 96216290 SGYNNUQEDASKCK-MRXNPFEDSA-N 355.442 2.158 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)COc1ccccc1)C2 96227530 SDSCALJMLIQSGE-NQIIRXRSSA-N 365.433 2.015 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1cnn(C)c1C 95474765 IPNNTHCVDHUHPJ-OAHLLOKOSA-N 363.443 2.221 0 40 FEAB O=C(Cc1ccccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107363 SXZOYYXPCYRJDA-XLIONFOSSA-N 353.422 2.248 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1Cc1ccco1 253590871 GMCUMBFFOSKXSJ-CQSZACIVSA-N 351.410 2.378 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 257233001 GNHSKMLXCUVPHV-QGZVFWFLSA-N 358.417 2.420 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1O 257328587 XGICKNJUXUZNSH-MBOZVWFJSA-N 367.453 2.271 0 40 FEAB Cc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)cc2[nH]1 257311001 UHNHWEIUSMZKRO-KBAYOESNSA-N 353.426 2.261 0 40 FEAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260907942 UPLDPXKGRXHBPK-CQSZACIVSA-N 356.488 2.401 0 40 FEAB C[C@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CC[C@@H]1C(=O)O 626756759 WAXQXEGNZPSFEL-RDJZCZTQSA-N 370.453 2.378 0 40 FEAB CS(=O)(=O)Nc1cc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)ccc1F 659148032 WVHUFMHFIQXNLT-UHFFFAOYSA-N 370.402 2.171 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)cc2NC1=O 665562479 PUZJHDKQCLMNTF-SCUASFONSA-N 357.410 2.039 0 40 FEAB COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]3[C@H]1OC(C)=O)OCO4 1772820162 WZFZRXGNVSHCOI-SLFFLAALSA-N 357.406 2.365 0 40 FEAB biogenic C[C@H]1CC(CCNS(=O)(=O)c2ccc(C(=O)O)c(F)c2)C[C@H](C)O1 563637354 SYYSHUUIKNYQIV-QWRGUYRKSA-N 359.419 2.396 0 40 FEAB CC(C)n1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)cn1 585099060 HCINGSZFGUXFLH-QGZVFWFLSA-N 371.485 2.452 0 40 FEAB Cn1nc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)ccc1=O 585090861 SGUAVNPRAKBNEF-UHFFFAOYSA-N 353.300 2.098 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CC[C@@](O)(COc2ccccc2)C1 585275416 DONQQIFYAZGGAJ-KRWDZBQOSA-N 351.399 2.030 0 40 FEAB COc1ccc2nc(O)c(CNC(=O)c3nn(C)c4c3CCC4)cc2c1 585294874 LBMNMSZFQZXESU-UHFFFAOYSA-N 352.394 2.101 0 40 FEAB CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc34)C2)[C@@H]1C(C)C 685941688 FSUXYGXJTFXTPF-ZTRFORPCSA-N 356.470 2.163 0 40 FEAB Cn1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1=O 51292880 ZBFPNUYFTUIIOQ-UHFFFAOYSA-N 352.360 2.121 0 40 FEAB CC(C)(NC(=O)CN1CCC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 78599813 WGDDHBJPBXNXRH-UHFFFAOYSA-N 358.225 2.287 0 40 FEAB C[C@@H](N)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1 659525427 GKRAKEFUVKSXMO-DYVFJYSZSA-N 352.438 2.093 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)CCc1c(C)nc2ncnn2c1C 40113807 MEFZQGJPQXVBAU-UHFFFAOYSA-N 367.453 2.486 0 40 FEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 11377276 CCMPPLAQQYBUIE-UHFFFAOYSA-N 357.366 2.214 0 40 FEAB Cn1ccnc1-c1cnc(NCCCN2CCOCC2)nc1-c1ccco1 19291792 ZGGHFEJTGHXLKY-UHFFFAOYSA-N 368.441 2.271 0 40 FEAB CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CC1 19766926 HHLAWGSQFFWTDB-KRWDZBQOSA-N 373.501 2.073 0 40 FEAB COc1ccc(-c2ccc(N3CCN(C(=O)C4CC4)CC3)nn2)cc1OC 11695277 HSWPTODDRNYERB-UHFFFAOYSA-N 368.437 2.219 0 40 FEAB O=C([C@H]1CCOC1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888860103 CGSKUXGMTBKDDD-OKZBNKHCSA-N 364.449 2.075 0 40 FEAB CCc1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888888495 DMSFESYEUGWXEY-CQSZACIVSA-N 365.441 2.259 0 40 FEAB CN(C(=O)C1CCOCC1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1776008003 RFVSNKAYGVRAHS-UHFFFAOYSA-N 370.428 2.356 0 40 FEAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(Oc2cccnc2)C1 238903688 RRXMGURQVCJUMB-CYBMUJFWSA-N 371.824 2.378 0 40 FEAB COc1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OC)n1 585284104 RJKKNYZAWPXMMQ-UHFFFAOYSA-N 363.317 2.313 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728725 WPGDCHXEBGOMOQ-UHFFFAOYSA-N 367.331 2.323 0 40 FEAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1c(F)cccc1F 59020685 VJQXUHWLFOWQNK-UHFFFAOYSA-N 373.363 2.295 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N(C)Cc1ccsc1 29072994 BCZJUFWQXCIQFR-UHFFFAOYSA-N 368.480 2.421 0 40 FEAB COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 1381032 LVWATCQWEZAMAZ-SUMWQHHRSA-N 359.378 2.482 0 40 FEAB COCCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 4161374 HSGVDKLONXTVIZ-UHFFFAOYSA-N 361.471 2.137 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 6326724 VGESDZXVMAOUQN-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB CCc1n[nH]c(SCc2nc(N)nc(Nc3ccccc3OC)n2)n1 11717432 COIZROVGRSIYFG-UHFFFAOYSA-N 358.431 2.179 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O 6879662 NRVYVSBPBLHXKR-ZSOIEALJSA-N 364.423 2.266 0 40 FEAB COc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2ccccc2)c1OC 101426084 DPXXNNBIGFCEOW-RELWKKBWSA-N 367.405 2.388 0 40 FEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCN(Cc3ccccc3)CC1)OC2=O 100260308 MAMYMGDMOBSRLQ-SFTDATJTSA-N 356.466 2.453 0 40 FEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2ccc(F)cc2)CC1 15632756 XEXSJFCUSFZQKW-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB CNc1snc(C)c1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 21042136 GLCYGLGHQIXBIC-NSHDSACASA-N 351.453 2.142 0 40 FEAB Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102139329 AVCUPLNPQLZSGA-UJWMZTGESA-N 351.402 2.262 0 40 FEAB COc1cc(C=O)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 8203382 IKFTUUSOLPEOBQ-UHFFFAOYSA-N 354.406 2.235 0 40 FEAB CC(=O)N[C@@H](CC(=O)NCc1ccc(NC(N)=O)cc1)c1ccc(C)cc1 32899211 YVSFBVXLCIWCFA-SFHVURJKSA-N 368.437 2.369 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(C)cc3C)cnc21 32908242 LSOIDXXAPUPCCG-UHFFFAOYSA-N 352.394 2.364 0 40 FEAB CCc1n[nH]c(=O)c(CNS(=O)(=O)/C=C/c2ccc(C)cc2)c1CC 83817666 CRBXMDOYZMUXJT-ZHACJKMWSA-N 361.467 2.293 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)c2cn(C)c3ccccc23)cc1OC 42295202 GTNRLHXQFFVSJG-UHFFFAOYSA-N 374.418 2.314 0 40 FEAB COc1cccc(-c2nc(C(=O)N[C@@H](C)c3nncn3C)cs2)c1OC 47314294 FLZRZDFTFHFMLC-JTQLQIEISA-N 373.438 2.447 0 40 FEAB O=C(CCOc1ccc(F)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 42392953 UJDGKQVLZMSGCB-SFHVURJKSA-N 350.434 2.308 0 40 FEAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12508171 ONRFNUVWXSISRK-UHFFFAOYSA-N 370.377 2.142 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1N1CCCC1 12522351 QZPZDORKJFULJP-HUUCEWRRSA-N 355.438 2.401 0 40 FEAB O=C(NCc1ccccn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12543479 PZKQZAJHFARHOG-UHFFFAOYSA-N 361.357 2.401 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 24701051 ZQGCWVCHAYYWEZ-UHFFFAOYSA-N 356.426 2.496 0 40 FEAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 21871936 LUMKJOWRBZJZOT-KKUMJFAQSA-N 368.499 2.259 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCC4CCC4)nc3[C@H]2C)n(C)n1 306134781 NYDBRDCOOUZNMA-CQSZACIVSA-N 356.474 2.032 0 40 FEAB Cc1cc2nc(N[C@@H]3CCCN(S(C)(=O)=O)C3)c3ccccc3n2n1 58169072 NCNRIPCPRWTLEN-CYBMUJFWSA-N 359.455 2.027 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(CN2CCSC2=S)CC1 12762487 CHISWMIPJSTKDD-UHFFFAOYSA-N 355.916 2.389 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3cccs3)noc2=O)cc1 58208637 JUTZWIBMGUHGOO-UHFFFAOYSA-N 358.379 2.162 0 40 FEAB CCn1nc(C)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1C 28577801 VINJGIWNSXSKTN-UHFFFAOYSA-N 353.444 2.016 0 40 FEAB Cc1noc(C)c1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 10639159 PGKITCDLOQZPCA-UHFFFAOYSA-N 365.455 2.049 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)[C@H](C(C)C)N2CCc3ccccc3C2)CC1 48309339 VDDUFZGQSUGINY-FQEVSTJZSA-N 371.525 2.396 0 40 FEAB C[C@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)c1ccc(Cl)cc1 12996707 PIHCEEQXODQDOV-VIFPVBQESA-N 364.810 2.431 0 40 FEAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCOCC 3580301 AGXFOMAPPGKZMZ-UHFFFAOYSA-N 363.483 2.441 0 40 FEAB CCN(C(=O)COC(=O)c1nccnc1N)c1cccc2ccccc12 3526151 ZYHIZRKQEMREDJ-UHFFFAOYSA-N 350.378 2.422 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387384 PHQUVNZHPNRIJE-OUJBWJOFSA-N 366.723 2.124 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)c1C 6200310 LENQWWGGMNMJDL-ZDUSSCGKSA-N 370.405 2.379 0 40 FEAB COC(=O)c1c(CC(=O)Nc2ccc3c(c2)OCCO3)[nH]c(C(C)=O)c1C 14199379 AIHAMUNIGLUMBD-UHFFFAOYSA-N 372.377 2.265 0 40 FEAB COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 14473068 MCLRQVORBQMTSK-UHFFFAOYSA-N 370.361 2.191 0 40 FEAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8327332 CCRNLOGYKWGTAI-ZGBFETHSSA-N 374.404 2.143 0 40 FEAB Cc1coc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N(C)C)c(C)c3cc12 8764828 DSNWLJNNLZUXIY-UHFFFAOYSA-N 370.405 2.245 0 40 FEAB biogenic COC(=O)c1ccc(CS(=O)(=O)NCCc2ccc(OC)cc2)cc1 22517573 QUFOJUNBCDQZEJ-UHFFFAOYSA-N 363.435 2.144 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 9762285 SSWUOBNHLXAZAL-KRWDZBQOSA-N 361.419 2.472 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C1 76091448 OEAPINJSWQRYRA-FGTMMUONSA-N 374.529 2.405 0 40 FEAB COc1ccc(CNC(=O)Cn2ccc(CNC(=O)OC(C)(C)C)n2)cc1 84240753 GADNEDWOGYXAQJ-UHFFFAOYSA-N 374.441 2.233 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)NCCCN(C)C2CCCCC2)C1 97358397 BLBUSCOFWFCHSY-LJQANCHMSA-N 368.566 2.297 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1 20110617 RBGKFZOVWNTMAV-UHFFFAOYSA-N 365.407 2.432 0 40 FEAB CC(C)C(=O)CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 95451244 JVFVYWWNGBVEMT-UHFFFAOYSA-N 361.467 2.068 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C1 95437100 IRIAYGDFNLRBFO-DOTOQJQBSA-N 360.454 2.446 0 40 FEAB C[C@@H](CS(=O)(=O)NCCc1n[nH]c(-c2ccco2)n1)c1ccccc1 79095674 AIUPJYUADAORHG-ZDUSSCGKSA-N 360.439 2.330 0 40 FEAB COCC(=O)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306130726 JOBPMBLIZMXPLH-IBGZPJMESA-N 362.433 2.447 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccn2c(O)nnc12)c1ccc(Cl)cc1 540961227 KFQJWTAEZPPYBV-AWEZNQCLSA-N 359.817 2.121 0 40 FEAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)[nH]n1 72361487 WEVCWGVPYOMIAT-ZBFHGGJFSA-N 369.473 2.366 0 40 FEAB CC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O 72346603 ZDCBZFFFLNRXOA-UHFFFAOYSA-N 369.400 2.150 0 40 FEAB NC(=O)C1CCN(C(=O)Cn2ccc3c(Br)cccc32)CC1 40287105 CCAKNRNXIJYOLF-UHFFFAOYSA-N 364.243 2.128 0 40 FEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222822614 CPYKENYGNHJOSY-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CCCN(c2cccnn2)C1 135307409 LXHRXOVKPBIWQZ-FUHWJXTLSA-N 352.438 2.266 0 40 FEAB COc1ccc(CCNC(=O)N2CCC[C@@H](Oc3cnccn3)C2)cc1 225476407 CMLPZZVAZZIJIH-QGZVFWFLSA-N 356.426 2.281 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)s1 224077818 HPBABRKIJJNKKH-NSHDSACASA-N 368.484 2.186 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C\c1ccc(C)o1 97986085 MOXYAXSVLMLMKP-YFHOEESVSA-N 364.423 2.499 0 40 FEAB Cc1ncc(S(C)(=O)=O)c(N[C@@H](Cn2cccn2)c2ccccc2)n1 95382650 DYEGWBDZNLGGKL-HNNXBMFYSA-N 357.439 2.238 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C/c3ccc[nH]3)C(=O)O2)cc1 97987621 YOQMDFCDGIHFRT-XNTDXEJSSA-N 359.407 2.046 0 40 FEAB Cc1nc2ncccc2c(=O)n1CCNC(=O)CCCc1ccccc1 96116364 SKTUZHKBILTZSZ-UHFFFAOYSA-N 350.422 2.239 0 40 FEAB biogenic Cc1ccc(CN2CC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225795 FUYDIBUFWGLGJU-OAQYLSRUSA-N 364.449 2.427 0 40 FEAB COc1cc(N2CC3(C2)OCC[C@H]3COCc2csc(C)n2)ncn1 248076556 ZZYMWMNFHSSSJI-ZDUSSCGKSA-N 362.455 2.062 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN1CCC[C@@H](C)C1 248329542 DGTDSTOXWANLNV-FRFSOERESA-N 353.470 2.358 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4nccc(C)n4)CCO3)C2)cc(C)n1 253480486 XCVKLVHIGOJSJY-KRWDZBQOSA-N 368.437 2.249 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2ccnc(-c3cccc(C(=O)O)c3)c2)C1 257260777 LEHMCDATOMQUBB-CQSZACIVSA-N 360.435 2.271 0 40 FEAB CN(CC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257283730 OZQLWXYMGGHWJO-SFHVURJKSA-N 353.470 2.036 0 40 FEAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N[C@@H](C)c2cccnc2)c1 257321164 WAJFKSFNVCLZMI-AWEZNQCLSA-N 363.421 2.394 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)cc1 257232447 GKWWETZAXYJPRT-HYVNUMGLSA-N 358.467 2.296 0 40 FEAB CN(C)Cc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1 257238519 HLJQKEWQBNLJQQ-LJQANCHMSA-N 354.454 2.012 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 257274492 NLHBETXXUBXPGH-INIZCTEOSA-N 354.458 2.036 0 40 FEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)n1 253477063 CRVMYHWFPDQKPD-CYBMUJFWSA-N 360.439 2.003 0 40 FEAB NC(=O)C[C@]1(O)CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 643714630 XMHXCMMSCUATAV-MRXNPFEDSA-N 353.344 2.460 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ncc[nH]1 604419584 HPTSBFJRZACDDS-QGZVFWFLSA-N 373.372 2.163 0 40 FEAB COCCN1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 585101771 FKTVEOGKDNMTAW-MRXNPFEDSA-N 357.376 2.427 0 40 FEAB Cc1coc(C(=O)N(C)[C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 1615057498 DTPGZIFDGMZWJJ-INIZCTEOSA-N 372.469 2.244 0 40 FEAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1 8166570 VCCZKOOUTQWSAP-MHWRWJLKSA-N 369.352 2.366 0 40 FEAB CCN(CC)C(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 12145243 FPYBTJICFBCTJY-UHFFFAOYSA-N 355.442 2.210 0 40 FEAB CCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)c2cc3ccsc3n12 12181602 NRIRDUVRRJKBFG-UHFFFAOYSA-N 370.434 2.491 0 40 FEAB Cc1csc([C@H](Cc2ccsc2)NC(=O)Cn2nc(C)ccc2=O)n1 12227599 AXQSZDIESNIBPB-AWEZNQCLSA-N 374.491 2.478 0 40 FEAB C[C@H](C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1)c1ccccc1 19459341 NRKXEZBDUKNWTK-HNNXBMFYSA-N 352.438 2.002 0 40 FEAB CCc1cc(C(=O)N2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)on1 19693609 GVUDEZISDOETOF-SFHVURJKSA-N 365.393 2.303 0 40 FEAB Cc1ccccc1OCC(=O)N1CCC(CN2CCN(C)C[C@H]2C)CC1 107286124 OSSHXRHMPSMKNG-GOSISDBHSA-N 359.514 2.248 0 40 FEAB CCc1cc(N2CCCC2)nc(C2CCN(S(=O)(=O)CC)CC2)n1 12276610 YLSUZPVQBRTKPR-UHFFFAOYSA-N 352.504 2.168 0 40 FEAB CSc1nc(C)cc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889109012 QFHUQPNGXCVJIE-CYBMUJFWSA-N 352.529 2.299 0 40 FEAB CNC(=O)Cc1csc(NC(=O)c2ccnc3ccc(OC)cc23)n1 1889217668 XBAJEBKOOJYOHK-UHFFFAOYSA-N 356.407 2.241 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cnccn3)CC2)CN1c1ccccc1 2037840778 QLTBIEGVSVFQKG-HXUWFJFHSA-N 352.438 2.265 0 40 FEAB O=C(CN1CCCCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037908998 LMBFOEPWKGSXKF-FQEVSTJZSA-N 364.461 2.434 0 40 FEAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2nnc([C@@H]3CCOC3)o2)C1 2086939627 NYWTUOWKLHWWCF-KGLIPLIRSA-N 350.463 2.042 0 40 FEAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 4263348 SIFCFWRDCDISBQ-GFCCVEGCSA-N 361.785 2.111 0 40 FEAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1C 8954683 ZTAZURGEQMIKIC-UHFFFAOYSA-N 373.434 2.099 0 40 FEAB COc1ccc(CCNC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 16953702 NPZFTELMHVWQDF-UHFFFAOYSA-N 359.451 2.402 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccs1 22767243 ZAWLWOYUOZVRGT-ZDUSSCGKSA-N 358.510 2.161 0 40 FEAB Cc1cccc(NC(=O)C[C@H](NCCNCc2ccccc2)C(=O)O)c1 22823008 SVUMEIXLTPMYHZ-SFHVURJKSA-N 355.438 2.156 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CC(c2nc(-c3ccccn3)no2)C1 49481608 YLEOXKYXOJOQKW-UHFFFAOYSA-N 374.356 2.478 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19569691 WIFGNJKDIJMBIP-SFHVURJKSA-N 366.465 2.427 0 40 FEAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)N[C@@H](C)CO 40103988 RJYAAUSFFDCABY-LBPRGKRZSA-N 373.409 2.458 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 40121587 CHRQMGKSTHJZHH-YOEHRIQHSA-N 372.469 2.398 0 40 FEAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(CC(C)C)CN3)cc1Cl 40286465 YDFLGAGDMASTQB-UHFFFAOYSA-N 364.833 2.029 0 40 FEAB O=C(O)CCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100580298 TZIBNPSGYMRVPR-GNTOHDJUSA-N 370.405 2.416 0 40 FEAB NC(=O)CSc1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1N 36646161 VXMVMMCDEDCRKU-UHFFFAOYSA-N 366.855 2.070 0 40 FEAB COc1cccc(-n2nnnc2SCC(=O)N2CCc3ccccc32)c1 932242 BFMGHLFONDLYLS-UHFFFAOYSA-N 367.434 2.352 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CCCCCC1 3563591 JBDIBGPUPXPVHV-FQEVSTJZSA-N 355.438 2.219 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 4144131 VIYGZWZQNVZGJZ-MCYUEQNJSA-N 373.714 2.164 0 40 FEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3nccs3)cc2)C1=O 15843272 XWZBNVRZABFZNM-UHFFFAOYSA-N 365.436 2.098 0 40 FEAB Cc1ccn(CCCNC(=O)c2cn([C@@H](C)c3ccccc3F)nn2)n1 4504578 FBZSKHKWAFYBCO-AWEZNQCLSA-N 356.405 2.352 0 40 FEAB O[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]2O[C@H](c3ccccc3)O[C@@H]21 4829703 DZDXMNRIZOWGEP-BWGCIZRJSA-N 356.374 2.301 0 40 FEAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 4904630 WNIDWYZQZZUGEY-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 6971570 JXFTUAOLLZDELN-MXROCRMESA-N 364.317 2.212 0 40 FEAB O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2F)nc1CO 20869352 BLSIOJXMDGUQHZ-UHFFFAOYSA-N 360.776 2.482 0 40 FEAB CCCCNC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489598 MZKHUPBSDSWKIM-UHFFFAOYSA-N 371.462 2.439 0 40 FEAB COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1)c1cccs1 41273948 RPRIWIOOYIAWJF-ZDUSSCGKSA-N 362.407 2.116 0 40 FEAB COC(=O)Cc1c(C)nc2nc(NCc3cccc(Cl)c3)nn2c1O 102801479 NWSUHVNQCGDAKW-UHFFFAOYSA-N 361.789 2.119 0 40 FEAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102084389 YTBGQGXXTYULJY-UEFGCPDKSA-N 366.417 2.077 0 40 FEAB Cc1ccccc1-n1c(C)nn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S 12534848 RCVLCETVEFTERS-AWEZNQCLSA-N 366.512 2.097 0 40 FEAB Cc1cc(N)nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 12534353 VSEIPHDSAMNSOZ-LLVKDONJSA-N 357.439 2.223 0 40 FEAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ncnc2nc[nH]c12 24877054 KXJSVKKRKIMKJH-VIFPVBQESA-N 350.338 2.018 0 40 FEAB COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1Br 106380054 CRCIGBAFWVVKIE-AWEZNQCLSA-N 355.276 2.411 0 40 FEAB CC(=O)Nc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3222986 ROIPZAMBKGZTCE-UHFFFAOYSA-N 366.377 2.177 0 40 FEAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2145754 MNAPPUZUHREFBX-RYUDHWBXSA-N 373.405 2.337 0 40 FEAB biogenic CCC(CC)NC(=O)[C@H]1CN(CC(=O)NCC2CC2)c2ccccc2O1 58216748 ORXKHGQBBBOQOJ-GOSISDBHSA-N 359.470 2.085 0 40 FEAB Nc1nc(C(F)(F)F)nn1C(=O)c1cnn(-c2cccc(Cl)c2)c1 58434329 BKEDPPXRWXYQAD-UHFFFAOYSA-N 356.695 2.407 0 40 FEAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)CC1 7671035 WXJYLTIOHBYMSR-UHFFFAOYSA-N 365.499 2.140 0 40 FEAB COc1cc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc(OC)c1OC 12924474 JZSADRNLELOOEA-PIGZYNQJSA-N 366.439 2.105 0 40 FEAB O=C(Nc1nccs1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13553084 YMUQVYRVULWENR-UHFFFAOYSA-N 363.834 2.318 0 40 FEAB C[C@@H]1C[C@H](N2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)C(=O)O1 8038896 MBKZYWBQLOUXQK-DAESXHAQSA-N 364.401 2.380 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)s2)c1 13690052 GUBGLVLBNBYWLN-GFCCVEGCSA-N 364.448 2.168 0 40 FEAB COc1ccccc1N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1 13724368 AFYKEYFODJZGHZ-UHFFFAOYSA-N 372.450 2.437 0 40 FEAB CCn1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C(C)C)c(C)n1 13733060 PMEQFRHDYFMEDG-WMZOPIPTSA-N 363.483 2.269 0 40 FEAB CN(Cc1ccccc1Br)c1ccc(S(N)(=O)=O)cn1 13985250 FCRGLTHEZXNQJH-UHFFFAOYSA-N 356.245 2.128 0 40 FEAB Nc1nc(F)c(I)cc1I 91368506 VYDASIGJNNEHNW-UHFFFAOYSA-N 363.899 2.012 0 40 FEAB in-vitro O=C(CSc1nnnn1Cc1ccco1)NCc1cccc(Cl)c1 14076037 ULWARAJDZFBNOJ-UHFFFAOYSA-N 363.830 2.376 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cccc2cccnc12 65563885 YURRITXIFAIHIO-CQSZACIVSA-N 362.455 2.170 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc2ccccc2c(=O)[nH]1 14118014 JREDUGYHFRDAOW-UHFFFAOYSA-N 363.373 2.418 0 40 FEAB CC(C)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1N 6787719 BQFSBWSNODQTMR-UHFFFAOYSA-N 363.443 2.007 0 40 FEAB CC(C)CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O 6785831 QTRMUOJXZICVLR-UHFFFAOYSA-N 373.501 2.486 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(F)cc3F)nc2c1 7133725 IZSDOGIUPWIBQW-UHFFFAOYSA-N 374.299 2.345 0 40 FEAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1 69951130 WSKBQDGUMLNPCF-RHSMWYFYSA-N 369.870 2.100 0 40 FEAB CC(=O)N[C@H](CC(=O)OCC(=O)c1ccc(O)cc1O)c1ccc(C)cc1 18340412 QKJFISHMTWGLHQ-QGZVFWFLSA-N 371.389 2.400 0 40 FEAB CNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 9683106 MPUNIGXJGAOVMH-UHFFFAOYSA-N 365.389 2.451 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCOC(C)C 21779639 NUSIJYMEPZCHKN-UHFFFAOYSA-N 368.499 2.324 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96001060 YZVDARGSALGIDH-HNNXBMFYSA-N 366.377 2.354 0 40 FEAB CCc1nnc(NC(=O)CCC(=O)Nc2cc(OC)ccc2OC)s1 9329351 XHNRBFVCVIEYHA-UHFFFAOYSA-N 364.427 2.475 0 40 FEAB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(O)cc1 9517161 WKLYZSWKRQUESV-GOSISDBHSA-N 373.434 2.461 0 40 FEAB Cc1cccc(Oc2ncccc2N2C[C@H]3CS(=O)(=O)C[C@@H]3C2=O)c1C 84219197 BQAWZUXEDFZUGO-GJZGRUSLSA-N 372.446 2.498 0 40 FEAB O=C(NCC1(c2c(F)cccc2F)CCCC1)[C@@H]1CCS(=O)(=O)C1 84339101 RYPPCNQAWYPLDA-GFCCVEGCSA-N 357.422 2.328 0 40 FEAB COc1cc(NC(=O)C2CCN(c3ccc(OC)nn3)CC2)cc(OC)c1 95472308 GBYFCUKSLIBJSU-UHFFFAOYSA-N 372.425 2.358 0 40 FEAB Cc1c(Br)cccc1C(=O)N1CCOC[C@H]1c1ncon1 95981417 BQBHDCBVWASVJI-LBPRGKRZSA-N 352.188 2.354 0 40 FEAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1 67896656 MTIGHFMPRVQJGO-IEBWSBKVSA-N 360.454 2.342 0 40 FEAB biogenic,in-vitro CC(C)CN1CCN(C(=O)c2ccn(Cc3ccccc3)n2)[C@H](C)C1=O 548626979 PDPHSYRSPCVFBU-MRXNPFEDSA-N 354.454 2.260 0 40 FEAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32876685 BGNUZXSOIKHYNV-RMKNXTFCSA-N 367.361 2.060 0 40 FEAB Cc1ccc(C[C@H](C)C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 557593505 WRBDIEIIKQSLCL-SZMVWBNQSA-N 366.527 2.398 0 40 FEAB Cc1nnc([C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)s1 42380255 ORMVKKIZFQWAIE-ZDUSSCGKSA-N 354.439 2.447 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 223278215 ZDPYKEZTBCUSOB-UHFFFAOYSA-N 366.464 2.334 0 40 FEAB Cc1ccc2ncn(CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2c1 40127927 RIOHWZWRZYKANT-ZFWWWQNUSA-N 356.426 2.109 0 40 FEAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1CC 223671680 CYZNAYARGAIUGV-DLBZAZTESA-N 358.467 2.439 0 40 FEAB C[C@@H](C(=O)O)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392438 BLXZYZQFFVSPKZ-VIFPVBQESA-N 369.768 2.405 0 40 FEAB CSCC[C@@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cccc1 575444050 WMBFWFKFCURILA-KRWDZBQOSA-N 370.478 2.309 0 40 FEAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1ccc2nc[nH]c(=O)c2c1 96118013 KKCUFHJIROHLAE-UHFFFAOYSA-N 351.362 2.266 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073751 MEWUPKFFARRCPN-IFXJQAMLSA-N 358.417 2.435 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2scnc2C)on1 583623098 RXASRYASYDUHQJ-STQMWFEESA-N 352.435 2.433 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1OC 257334367 YFPKCYPGRKFKRN-APWZRJJASA-N 360.454 2.148 0 40 FEAB O=S(=O)(CC[C@H]1CCCCO1)N1CC[C@@]2(C1)OCc1ccccc12 641431554 UOTJYFVZPVNYSE-AEFFLSMTSA-N 351.468 2.407 0 40 FEAB COc1ccccc1[C@@H](NC1CCN([C@H]2CCOC2)CC1)c1noc(C)n1 655744349 YEWFZIQSBQOBOB-QFBILLFUSA-N 372.469 2.319 0 40 FEAB Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)[C@H]4C[C@H]4C)C[C@@H]23)cs1 575402574 BXNUJNQTPDTDDI-DIMBHLCBSA-N 350.484 2.488 0 40 FEAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1CCO2 1534646932 WXSQPZMAVHDCND-KBPBESRZSA-N 352.456 2.004 0 40 FEAB CCn1cc(C2=NO[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c(C)n1 5053500 PLPYKWTUAICFIO-KRWDZBQOSA-N 358.398 2.360 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 5556488 GKVUEIYQNJLSIQ-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB Cc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)n(C)c(=O)c(=O)n2C 13364505 OYQUJWQXCSOMNK-UHFFFAOYSA-N 357.797 2.451 0 40 FEAB CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584635 PKCZIYMBLMDOCZ-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1OC 14291957 OHWNVBFLPDCPNT-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB O=C(NCCN1CCCC1)c1cc(C2CCOCC2)c2cnccc2n1 19404797 AVPUUHFHXHHIAR-UHFFFAOYSA-N 354.454 2.349 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)cc2C[C@H]1C 19497822 UIXLAXDBKOCIHC-UONOGXRCSA-N 373.478 2.289 0 40 FEAB Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)CN(Cc1ncc[nH]1)C2 19701562 FDTVQAVQKZDLSX-CYBMUJFWSA-N 354.389 2.020 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)n2)c1 169680736 UURGZRGMLCCRKB-ZMSDIMECSA-N 365.433 2.247 0 40 FEAB O=C(CCCC(=O)N1CCc2ncc(Cl)cc2C1)Nc1nncs1 13265605 QUPIZOBMOJUZIT-UHFFFAOYSA-N 365.846 2.280 0 40 FEAB COc1ccc2cc(C(=O)NCC3(O)CSCCSC3)[nH]c2c1 1889114107 HIRTZCTYHGKPOQ-UHFFFAOYSA-N 352.481 2.117 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565549693 ZTWXEGZCELFOOX-AUUYWEPGSA-N 369.425 2.218 0 40 FEAB COc1cccc(NC(=O)c2ncn3c2CN(C(=O)C2(F)CC2)CCC3)c1 1565552584 NWWHKKLEUOFYBL-UHFFFAOYSA-N 372.400 2.378 0 40 FEAB O=C(O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 4538803 DKIDUEFGXKKXNI-PAURTPPISA-N 354.399 2.316 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1C 7595490 DIHKURXXAZSDBC-CQSZACIVSA-N 355.456 2.358 0 40 FEAB CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)s1 8048318 PFQVIEOOQNRPCW-UHFFFAOYSA-N 366.468 2.355 0 40 FEAB O=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1cccc(F)c1 12377030 CRQLJTKDLGLBKK-UHFFFAOYSA-N 354.341 2.036 0 40 FEAB Cc1cc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n2nccc2n1 1775974774 PMNGDIANQSSQAQ-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB C[C@H]1CCCN([C@@H](C)CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 40120441 WRBCFWLPJJFROZ-GJZGRUSLSA-N 359.474 2.458 0 40 FEAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(CCc2ccccn2)CC1 20897249 PFAJMHDECSPXBX-MRXNPFEDSA-N 357.429 2.375 0 40 FEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccccc2)CC1 2642887 ORBWKNHRGSEKPL-UHFFFAOYSA-N 365.355 2.216 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 2659216 JWYUNLUBWXWEFT-GOSISDBHSA-N 358.463 2.467 0 40 FEAB COc1ccc(CNC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 20763710 TWZCTMHQBJAZRB-INIZCTEOSA-N 353.378 2.102 0 40 FEAB biogenic CCOc1ccccc1-c1noc(CN2CCN(c3cnccn3)CC2)n1 27635803 JXCXCNFOFYIZMD-UHFFFAOYSA-N 366.425 2.248 0 40 FEAB Cc1cc(OCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl 8276814 MYHOYFKIPIGBQR-CHWSQXEVSA-N 355.818 2.206 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1OC(F)(F)F 23437491 YPTHNRVXIBOTSQ-UHFFFAOYSA-N 364.389 2.490 0 40 FEAB CC(C)[C@H](C)NC(=O)COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 23941556 MANKYVTTWBLVKN-HNNXBMFYSA-N 373.453 2.107 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100187744 VIYGZWZQNVZGJZ-JUFZMCDQSA-N 373.714 2.164 0 40 FEAB Cc1ccc(CSCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 12535876 QICNZQKLTXGONA-UHFFFAOYSA-N 358.467 2.066 0 40 FEAB O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(=O)n(-c2ccccc2)n1 24901542 OCUQRCYKYPUHGF-UHFFFAOYSA-N 358.361 2.066 0 40 FEAB O=C(Nc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22512223 OIGFHWABXIUQDC-UHFFFAOYSA-N 360.435 2.101 0 40 FEAB O=S(=O)(Nc1ccccc1-n1cccn1)c1ccc2c(c1)OCCO2 47991796 ACHVZSTTYWSUPH-UHFFFAOYSA-N 357.391 2.444 0 40 FEAB CC(C)(C)C(=O)c1ccsc1NC(=O)CCN1CCCS1(=O)=O 173053205 DUOFEMDYYUGOTB-UHFFFAOYSA-N 358.485 2.341 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)n[nH]2)cc1 58163373 TYOBXMFYUALJNU-UHFFFAOYSA-N 362.436 2.299 0 40 FEAB O=C(CN1CCN(Cc2ccccc2Oc2cccnc2)CC1)NC1CC1 58343476 AYBWARKRWSYQHX-UHFFFAOYSA-N 366.465 2.270 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3378061 WCYZXMRBARLULR-SPLOXXLWSA-N 363.417 2.431 0 40 FEAB COc1cc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)ccc1C 10804427 ZTBUGBVLPOXHCK-IBGZPJMESA-N 353.378 2.116 0 40 FEAB CCOC(=O)c1ccoc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 8324098 AOHKVCLTKBVRJM-FQEVSTJZSA-N 368.389 2.436 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 48342102 YMLFICAJRNLWIC-NSHDSACASA-N 364.389 2.107 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 12897071 DOTZOXLCERSNLX-UHFFFAOYSA-N 358.463 2.461 0 40 FEAB CC(=O)Nc1cccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 12877805 FDSRUCBDEGWIRI-UHFFFAOYSA-N 356.407 2.215 0 40 FEAB Cc1ccc([C@@H](NC(=O)CN(CC(N)=O)C(C)C)c2cccs2)cc1 12858063 JARJPRUDTLHIGK-LJQANCHMSA-N 359.495 2.458 0 40 FEAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(CO)c1 12945576 YWFWXSPRMRJZBO-LJQANCHMSA-N 356.422 2.337 0 40 FEAB C[C@H]1CCC[C@@H](C)N1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6049506 BCEIBUPUOBKLNJ-QLFBSQMISA-N 373.453 2.105 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(C(F)(F)F)c1 14094789 GARSYVBNXBDRBU-UHFFFAOYSA-N 355.360 2.198 0 40 FEAB O=C(COc1cccc(Br)c1)N1N=CC[C@]1(O)C(F)(F)F 5446639 YJTTYYCRJPTFLV-NSHDSACASA-N 367.121 2.297 0 40 FEAB O=S(=O)(NCCc1csc2ncnn12)c1ccc2ccccc2c1 6669493 VEZMCLIJCUVXLI-UHFFFAOYSA-N 358.448 2.465 0 40 FEAB Cc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccco2)on1 14806583 MZZZLWBANDRHFB-UHFFFAOYSA-N 361.427 2.345 0 40 FEAB COc1ccccc1Nc1nc(N)nc(CSc2nnnn2C(C)C)n1 8720690 FRENVMBJOYQGRI-UHFFFAOYSA-N 373.446 2.066 0 40 FEAB Cc1cccc(-n2c(=O)[nH]c(O)c([C@@H]3OC(=O)c4ccccc43)c2=O)c1C 8995024 WQEOUNPTIRGLJL-MRXNPFEDSA-N 364.357 2.108 0 40 FEAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2cccc(F)c2)C1=O 9359860 XRHNIBFUQCQZSK-FQEVSTJZSA-N 367.380 2.396 0 40 FEAB C[C@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 9516833 JASSBSPBSFFUAY-LBPRGKRZSA-N 360.435 2.433 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 24261853 GEYMKDOSWPDKTD-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(Cc1ccccn1)C1CC1 84521997 KZTCSPIZUAUAOT-UHFFFAOYSA-N 363.439 2.038 0 40 FEAB CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)o1 84741172 FKOHQXKNRWGBHI-CQSZACIVSA-N 362.451 2.179 0 40 FEAB COc1cccc([C@@H](CO)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 95457329 XJCONUWKAVGFET-MRXNPFEDSA-N 364.442 2.102 0 40 FEAB Cc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 95960581 RZQYXGDLFUIIFA-INIZCTEOSA-N 355.438 2.051 0 40 FEAB CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)CCCOC)cc1 95958343 WEOLXYWOOLBXIU-INIZCTEOSA-N 366.483 2.095 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)cn1 95998211 YOPLJZOOHQWTGN-MRXNPFEDSA-N 363.421 2.017 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 85875318 SDLPABBRQSYSFV-CQSZACIVSA-N 362.385 2.385 0 40 FEAB biogenic Cc1ccccc1N1CCC[C@H](NC(=O)N2C[C@@H](C)[C@H](CCN)C2)C1=O 1551516415 DGQCHWRFDJDORE-ZACQAIPSSA-N 358.486 2.117 0 40 FEAB CCN1CCC[C@]2(CN(C(=O)COC3CCCC3)CC(F)(F)C2)C1=O 306130313 JCEWPYHGDGEHIG-KRWDZBQOSA-N 358.429 2.442 0 40 FEAB O=C(c1cccnc1)N1CCC(N2CCC[C@@H](c3cc(O)ncn3)C2)CC1 1506400205 BNWPAIZYLYTAJU-MRXNPFEDSA-N 367.453 2.061 0 40 FEAB CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)nc3ncnn13)C2 36619210 WSXJLZFFQUOKOJ-MQVJKMGUSA-N 362.437 2.146 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 31259092 KHTODRNTTIVIJF-UHFFFAOYSA-N 361.467 2.427 0 40 FEAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1nn(CC)cc1Cl 32610766 UUQBNMBIVBVGMT-UHFFFAOYSA-N 352.826 2.165 0 40 FEAB COCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224287787 HXIMEEDWAJEJCX-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CN(C)C(=O)c2cccs2)C1 48271050 SWJRAYWFSKQFQU-HUUCEWRRSA-N 351.516 2.304 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccs1 75155947 ORNIWHLWZYUSNF-MRXNPFEDSA-N 352.843 2.042 0 40 FEAB COc1ccc(C[C@](C)(O)CNC(=O)COc2ccccc2OC)cc1 75155555 WYCBLYPCQCBRSG-FQEVSTJZSA-N 359.422 2.193 0 40 FEAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 41616220 CINNTHYBEKFDNE-UHFFFAOYSA-N 351.338 2.050 0 40 FEAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 83293761 CQRHDJNAPDZBCN-ZOVFYHJXSA-N 352.515 2.473 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96240760 MBCLWEOQYZXNKR-QGZVFWFLSA-N 362.445 2.148 0 40 FEAB Cc1csc(NC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)n1 95477959 LFPCIQUJFFLFFJ-ZDUSSCGKSA-N 358.423 2.148 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1-n1cnnn1 96116690 OCVCYTCXTPHMFO-UHFFFAOYSA-N 367.800 2.165 0 40 FEAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 97957209 JOHAVGRDVDSGEL-MRXNPFEDSA-N 371.824 2.180 0 40 FEAB CC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 96222791 NPXNZIVCIKIHNH-GUYCJALGSA-N 370.453 2.326 0 40 FEAB biogenic Cc1ccc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)cc1 248152890 KKXBPMHKTSQLPS-QGZVFWFLSA-N 363.479 2.051 0 40 FEAB O=C(C1CCSCC1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247870993 QRMYMAMNASYYCF-AWEZNQCLSA-N 362.499 2.039 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)COc1cccc(F)c1 257312781 UPLULDWVBFSAIB-MRXNPFEDSA-N 359.401 2.163 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(CN)C(=O)O)cc1 252517073 ZHUZNAAJMSGAJY-JZXOWHBKSA-N 363.410 2.104 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260918057 KVJPKIBSQBCJES-ZTFGCOKTSA-N 372.494 2.027 0 40 FEAB COc1ccc(CN(C)C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1C 654637374 IGAWXVFSKXKAIR-HNNXBMFYSA-N 359.430 2.315 0 40 FEAB Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3[C@H]4Cc5cc(F)ccc5[C@H]43)C2)cn1 664219585 RVMRCDUTRIATSU-WQANXHIZSA-N 369.444 2.166 0 40 FEAB Cn1cc(N2CC[C@H](NC(=O)N3CC4(CCC4)c4ccccc43)C2=O)cn1 682867930 ZALLINMITXQJQW-INIZCTEOSA-N 365.437 2.177 0 40 FEAB Cc1c(F)cccc1C(=O)N[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C 1775996872 LIRNUJJLIQLUMW-RDTXWAMCSA-N 372.444 2.388 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cncn21 575405516 IRHOZCVHRZTKPN-SFHVURJKSA-N 363.421 2.088 0 40 FEAB CCN(CC)CC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21 585112427 PZMDRJSICSNTBJ-QGZVFWFLSA-N 362.499 2.361 0 40 FEAB CO[C@@]1(CCC(=O)NCc2ccc(F)cc2F)CCCN(C(C)=O)C1 585280610 LRVPREAEOJBWKA-GOSISDBHSA-N 354.397 2.389 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2cccnc2)c1 49944770 AVRRFGSICMHTNF-UHFFFAOYSA-N 361.467 2.025 0 40 FEAB Cc1cc(=O)oc2cc(OC(=O)CN3C(=O)c4ccccc4C3=O)ccc12 941770 WBVBEQYMEHOPOC-UHFFFAOYSA-N 363.325 2.303 0 40 FEAB CO[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 682598447 CDRZIJMEBLRDMF-CQSZACIVSA-N 366.215 2.284 0 40 FEAB COc1c2ccc(C(=O)N3CC(COc4cccnc4)C3)cc2nn1C 1775969394 OPHMAZBZKWVCIH-UHFFFAOYSA-N 352.394 2.128 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 16807063 WLBAYFXSXNDNFK-UHFFFAOYSA-N 370.438 2.433 0 40 FEAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1 19532925 AQCHYOPVJBBHQA-MRXNPFEDSA-N 351.410 2.429 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 19577140 WYOJWIOSUVXPJT-GFCCVEGCSA-N 365.437 2.025 0 40 FEAB O=C(NCC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)CCO1)c1cccnc1 19711946 KACLPIGTWQRLPV-FUHWJXTLSA-N 374.462 2.223 0 40 FEAB COCC(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19767122 COSQYIHOOBWXSM-INIZCTEOSA-N 360.458 2.157 0 40 FEAB CC(=O)Nc1ccccc1OCC(=O)NCC(=O)Nc1c(C)cccc1C 6064249 RAYAVCDKWIEXBW-UHFFFAOYSA-N 369.421 2.396 0 40 FEAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)NC[C@@H]1CCCO1 36708877 IIXZPJKDIUWTLJ-KRWDZBQOSA-N 356.470 2.044 0 40 FEAB Cn1nc(-c2cccs2)cc1C(=O)NCCn1ccc2ccoc2c1=O 245053586 PBSIJECWRCQQKJ-UHFFFAOYSA-N 368.418 2.487 0 40 FEAB CCn1nccc1C(=O)N1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056224621 MGTOCVCZGPMWIX-GASCZTMLSA-N 357.433 2.426 0 40 FEAB C[C@H]1CN(c2nc3ccccc3c(=O)n2C)CCN1Cc1ccncc1F 2086988796 AERGFKVZMYOBIK-AWEZNQCLSA-N 367.428 2.178 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 4585942 USOYVVBLMIVMPK-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570907 TXNHRTKXCPLANH-NSHDSACASA-N 359.336 2.024 0 40 FEAB O=C(COc1ccc(F)cc1)NCCCn1nc(-c2ccco2)ccc1=O 13802415 LIJDCBCIRMIHHV-UHFFFAOYSA-N 371.368 2.228 0 40 FEAB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(=O)n(C)c1 16849471 DTZGFUPIWAMFPA-UHFFFAOYSA-N 373.413 2.051 0 40 FEAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1 23157262 DZBRHOAYFNZIJO-HNNXBMFYSA-N 374.466 2.360 0 40 FEAB COc1nn(C)cc1C(=O)NCCn1nc(C)c(-c2ccsc2)c1C 575615176 MUEHOIKOOSQCAZ-UHFFFAOYSA-N 359.455 2.401 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C1 40073629 YSEPSDVGHVWAJI-GJZGRUSLSA-N 351.516 2.362 0 40 FEAB Nc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2N)CC1 6402677 BRKUESNZBIADQG-UHFFFAOYSA-N 352.438 2.133 0 40 FEAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 6628026 DXJZLBLZMGYGOH-CYBMUJFWSA-N 369.446 2.499 0 40 FEAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OC(F)F 101722425 GLGNXRXMVKJLPK-VIFPVBQESA-N 353.321 2.490 0 40 FEAB CN1CCN(c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)CC1 7105397 YLBLYZFMBJHAGB-IBGZPJMESA-N 353.422 2.217 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C)C(=O)NC(C)(C)C)CCC2=O)c1 60132116 KTNBEVNHOFOMTF-CQSZACIVSA-N 372.469 2.206 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 8092081 SPEDQOCGPLNXAT-UHFFFAOYSA-N 369.826 2.370 0 40 FEAB COc1ncccc1C(=O)N1CCN(C(=O)/C=C/c2cccs2)CC1 32931145 ZVXCDXQFJSLUDJ-VOTSOKGWSA-N 357.435 2.150 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2[C@H]1CC=CCC1 9289468 DFZROZILPGRGAB-WMZOPIPTSA-N 370.501 2.264 0 40 FEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2ccccc21 9835071 PYDHSCKCHAZBKT-CQSZACIVSA-N 373.478 2.327 0 40 FEAB C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCO1 37200208 ARBQBVGLAKOPLX-JLTOFOAXSA-N 353.422 2.285 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cn1cc(Cl)cn1 100143100 ZMUAXVBAGREXDQ-TZMCWYRMSA-N 356.817 2.176 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccnc1 850037 DSRCZNGREFZFFL-AWEZNQCLSA-N 364.357 2.446 0 40 FEAB biogenic,in-vitro C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1nnc2ccccc2c1=O 54914508 UJZFWLOPEBZUMX-LBPRGKRZSA-N 366.377 2.153 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 24689544 WOJHLVNKYWMDDV-HVHJFMEUSA-N 356.875 2.284 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1 55277942 GFYSYTKYWMMPFF-QGZVFWFLSA-N 364.442 2.342 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)Nc1cccc(-n2cnnc2)c1 57942447 PEUBDWROEKHGEH-UHFFFAOYSA-N 355.785 2.176 0 40 FEAB CCN1CCN([C@@H]2CCN(C(=O)c3cc(C)c4ccccc4n3)C2)CC1 106802665 XKNKYFPKMSRMMX-QGZVFWFLSA-N 352.482 2.395 0 40 FEAB CC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccc(OC)cc1 25515097 PNRUNFSKCZSNHK-KRWDZBQOSA-N 366.421 2.458 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCCSc2ccccc2)s1 26358437 VJIYAKLSILYQPA-UHFFFAOYSA-N 370.521 2.455 0 40 FEAB Cc1sc(N2CCN(C)CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 57352332 ZXJSUEBXSCCKPA-UHFFFAOYSA-N 366.512 2.242 0 40 FEAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1)c1ccccc1 20486528 QAVGMTUYYUDATK-INIZCTEOSA-N 362.451 2.484 0 40 FEAB O=C(NC(=S)N1CCN(c2ccccc2O)CC1)c1ccccc1F 3262424 AIQOAEXJMXOAKV-UHFFFAOYSA-N 359.426 2.368 0 40 FEAB COc1ccc(CCC(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cc1 58180018 CEKDSHMMZUULRN-UHFFFAOYSA-N 372.469 2.479 0 40 FEAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)Nc1nncs1 58159241 IBJRRLFWLSZODM-VIFPVBQESA-N 362.333 2.118 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O)c1ccccc1 58180243 OKLSBMCDOVKDON-IBGZPJMESA-N 355.394 2.408 0 40 FEAB CNC(=O)c1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10179995 LKLNOKWIJHDTKO-CYBMUJFWSA-N 366.421 2.222 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 58202109 MVTXFHLQVKXQBW-UHFFFAOYSA-N 370.497 2.161 0 40 FEAB CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 58307001 ISHAJWOPGWMCJK-HUUCEWRRSA-N 374.481 2.443 0 40 FEAB CN(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)ccn1 48103504 LWEHROPLKYMROD-KRWDZBQOSA-N 358.486 2.335 0 40 FEAB O=Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 10640814 SFUUERDECLHJST-UHFFFAOYSA-N 370.380 2.144 0 40 FEAB COc1cc(OC)nc(NC(=O)CNc2ccc(Br)cc2)n1 10851113 MJSZGYPWQPWGKR-UHFFFAOYSA-N 367.203 2.307 0 40 FEAB CCN1CCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 48343350 DMPYAZMVUCQDGQ-UHFFFAOYSA-N 368.384 2.484 0 40 FEAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1 12995142 VMCIHOKJKMKELI-SPLOXXLWSA-N 363.417 2.473 0 40 FEAB O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(Br)c1 3606427 GHVRNMMFJZNENH-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB CC(C)Cn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2 4093313 VGBMNVSPBFTZDF-UHFFFAOYSA-N 357.410 2.442 0 40 FEAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(N)=O 8489516 ZHKRJGJJOBMXNY-KOLCDFICSA-N 367.858 2.195 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCN(Cc3occc3C)CC2)cc1 92044280 SHEVIBHJWFJKBO-UHFFFAOYSA-N 364.467 2.493 0 40 FEAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccsc1C(=O)OC 14200377 ARPDUCMULNXEJW-UHFFFAOYSA-N 370.404 2.479 0 40 FEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nncs1 4816354 KDOSTBMVVPEVFX-UHFFFAOYSA-N 360.468 2.471 0 40 FEAB NC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 66687390 JXYTZASVEOSKQI-SWLSCSKDSA-N 369.824 2.170 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F 15694121 WZORBXDXKZLPEO-JTQLQIEISA-N 362.332 2.301 0 40 FEAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1N1CCOCC1 7722941 LOCOWDOSYBCAAP-UHFFFAOYSA-N 365.434 2.005 0 40 FEAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 9610957 UPMNNAMLHBNEPJ-UHFFFAOYSA-N 368.368 2.407 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96001059 YZVDARGSALGIDH-OAHLLOKOSA-N 366.377 2.354 0 40 FEAB O=C(Nc1ccccc1C(=O)NCc1ccco1)C(=O)NC1CCCC1 408709370 RQJGKCCLKVJQDA-UHFFFAOYSA-N 355.394 2.207 0 40 FEAB C[C@@H](Cn1cc(Br)cn1)N[C@H](C)c1nnc2n1CCCC2 97017159 JDAJPYZKUWLVFS-WDEREUQCSA-N 353.268 2.313 0 40 FEAB Cc1cc(=O)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)co1 72404483 ILHMTRZJQBLJPH-UHFFFAOYSA-N 356.422 2.108 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)N1CCCC1 95350904 MDGLWPIWZMZYAT-CYBMUJFWSA-N 355.485 2.468 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@@H](C)O1 95390027 ZZENENKNUPRGAA-SCRDCRAPSA-N 354.397 2.384 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2cccc(O)c2)CC1 95428898 HMJISVIEDFWJHI-UHFFFAOYSA-N 353.488 2.024 0 40 FEAB Cc1ccc2c(O)c(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cnc2n1 79657687 GWMFMAGAOCNAFI-CYBMUJFWSA-N 353.382 2.272 0 40 FEAB Cn1ncc2c(NCCNC(=O)c3ccc(C(F)(F)F)cc3)ncnc21 24211200 HYUVTPCNNWLWKV-UHFFFAOYSA-N 364.331 2.224 0 40 FEAB O=C(CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O)Nc1ccccc1F 409217509 CPSPPRWUPVNULY-OQLLNIDSSA-N 355.325 2.063 0 40 FEAB Cc1ccn(C[C@](C)(O)C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)c1 547736687 YXFVQVIEOGULLK-WGRMAXNNSA-N 358.482 2.096 0 40 FEAB CC(C)CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 408725917 OBQBNNRBGYNRAP-UHFFFAOYSA-N 350.440 2.243 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1 71195645 HFYUNSLGDDDSIG-OAHLLOKOSA-N 350.426 2.425 0 40 FEAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)NC(C)C)cc2)[C@H]1CO 72321138 OESOXWRMFFJZII-SJLPKXTDSA-N 363.458 2.133 0 40 FEAB biogenic,in-vitro NC[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058109 MOCLUVQWQPIJMY-IXDOHACOSA-N 351.855 2.217 0 40 FEAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)C)cc1 223096221 SSJGSZJMBNVMIH-LGMDPLHJSA-N 373.478 2.205 0 40 FEAB CN(C)CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cn1 225927881 BMZGCKWYZHZDTG-UHFFFAOYSA-N 364.446 2.018 0 40 FEAB CCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 43469368 QTXYTVKIVXWXJM-UHFFFAOYSA-N 355.460 2.401 0 40 FEAB Cc1cc(C)cc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1 44241776 FZOYFDOWFWVPOL-UHFFFAOYSA-N 370.526 2.202 0 40 FEAB CC(C)COC1CCN(C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1 572000267 PKMXUBLSDIWRGD-UHFFFAOYSA-N 358.446 2.213 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 95079643 CZOYVOWDRVLKDN-GFCCVEGCSA-N 365.455 2.125 0 40 FEAB Cc1cc(N2CCCCC2)nc(CNC(=O)Cn2cnc3ccccc32)n1 96120817 GAYPIIWHOXWPAT-UHFFFAOYSA-N 364.453 2.441 0 40 FEAB C[C@@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nnc2ccccn12 95479463 JDTABCWFPUWXMH-GFCCVEGCSA-N 352.423 2.396 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96206800 XDBNDSNMQRUPEN-IPMKNSEASA-N 355.438 2.345 0 40 FEAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)Nc1ccc(F)cc1)C2 96071549 ROIRVRXUHMVJIO-INIZCTEOSA-N 355.435 2.248 0 40 FEAB Cc1nc(C2CC2)oc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583619011 ULORGOLQSHQKIJ-GOSISDBHSA-N 359.430 2.157 0 40 FEAB O=C(c1cccc(F)c1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 247873598 MRMAWFBOLSLEDW-HKUYNNGSSA-N 359.401 2.113 0 40 FEAB O=C(Cc1ccccc1F)N1CC2(C1)OCC[C@H]2COc1cccnc1 247876049 TZUWWKJDHQHDLG-INIZCTEOSA-N 356.397 2.460 0 40 FEAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4cc(N)cc(C)n4)C3)cn2c1 257335560 YKRWLJHJIWKHMD-KRWDZBQOSA-N 351.410 2.142 0 40 FEAB Cc1ccsc1C(=O)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 253598899 VZYNGXHVLYNYOR-HNNXBMFYSA-N 350.484 2.010 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CCc2ccccc2C(=O)O)c2ccccc2O1 1598809574 IFOZOSYDCCRJHB-QGZVFWFLSA-N 369.373 2.285 0 40 FEAB COc1ncccc1C(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 257203742 ARLWCJYCSQQQAL-KRWDZBQOSA-N 354.410 2.099 0 40 FEAB COc1cccc(C2(NC(=O)[C@@H]3CC[C@H](C(=O)O)N3C3CC3)CCC2)c1 630672307 JYGLZOCPPVNHIS-DLBZAZTESA-N 358.438 2.271 0 40 FEAB CCCCn1nc(Cn2cncn2)nc1-c1ccccc1N1CCOCC1 96139661 VQXLYGDDAGXECF-UHFFFAOYSA-N 367.457 2.222 0 40 FEAB COc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc1OC 36594084 HGBJDQFUMXOZRA-CQSZACIVSA-N 369.377 2.433 0 40 FEAB biogenic C[C@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1 36569321 MWKDAISBDAMQSS-CYBMUJFWSA-N 353.374 2.336 0 40 FEAB biogenic CC[C@@H]1OC2(CCN(C(=O)c3ncoc3-c3ccccc3)CC2)NC1=O 1615592735 USKAIGVNMGJVHW-AWEZNQCLSA-N 355.394 2.199 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@H](C(F)(F)F)[C@@H]3C)cc2=O)cc1 619258737 MWELKIYJZACGRR-NHYWBVRUSA-N 369.343 2.266 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)c2cccnc2N2CCCCC2)cc1 56325476 IGWOTEXNVWVALK-UHFFFAOYSA-N 353.426 2.493 0 40 FEAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)n1nnc2ccccc2c1=O 5270812 TYQOBTASINWUIW-INIZCTEOSA-N 368.393 2.399 0 40 FEAB CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2ccccc2)C1=O 5586576 FSYIMCKGORNSOJ-UHFFFAOYSA-N 351.406 2.294 0 40 FEAB CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccc(O)cc2)cc1 5663478 MCHUTPWPBRZRBK-SFHVURJKSA-N 371.418 2.270 0 40 FEAB CCCC(=O)N1CCC(O)(Cn2c(CC)nc3ccccc3c2=O)CC1 12187173 VNSOFUZQOYNGAU-UHFFFAOYSA-N 357.454 2.113 0 40 FEAB CN1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cncnc2)no1 12530122 DDFQXCMPOFMXBY-GJZGRUSLSA-N 365.397 2.094 0 40 FEAB biogenic,in-vitro COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(C)=O)n(C)n1 12601983 MNGJYIHESBYIPS-JZXOWHBKSA-N 368.481 2.410 0 40 FEAB biogenic,in-vitro CC(C)CC(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 13524908 BVKQMQSLFHERMM-UHFFFAOYSA-N 357.389 2.472 0 40 FEAB Cc1ccc(-c2nc(CC(N)=O)ncc2-c2nnnn2-c2ccccc2)cc1 16311042 GIWRCVRYOBLUHT-UHFFFAOYSA-N 371.404 2.123 0 40 FEAB COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)[C@H]3CCCO3)C[C@H]1CC2 19571899 UUTIXGIUISOBBW-UKPHBRMFSA-N 368.437 2.078 0 40 FEAB O=C(c1ccncc1F)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850041 XZNWVXYFNHJTJO-ZIAGYGMSSA-N 353.401 2.097 0 40 FEAB CC(C)(C)c1ccc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nn1 1889091522 NLJGPMQYCLMXKY-UHFFFAOYSA-N 367.501 2.491 0 40 FEAB O=S(=O)(N[C@H]1CCCN(Cc2ccc(Br)cc2)C1)C1CC1 1889139046 AGYKPBPTXCENMI-AWEZNQCLSA-N 373.316 2.495 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 244983818 ISJGDIULGGMPOM-SSZWKKLZSA-N 367.373 2.161 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cn(C)c3ccccc23)n1 2037716141 YARMHLKGWOBGDL-KRWDZBQOSA-N 352.394 2.196 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)c3cn(C)nc3C)CC2)cc1C 2037916010 HANWIUMIKUCOPB-UHFFFAOYSA-N 357.454 2.391 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(OC)c1 9828281 CYSCIDDGZZTTLU-UHFFFAOYSA-N 362.407 2.389 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cc(-c3cccs3)nn2C)CC1 42383504 PAGAKSOCIWYTRF-UHFFFAOYSA-N 362.455 2.499 0 40 FEAB O=C(c1cccnc1-n1cncn1)N1CCN(c2ccccc2Cl)CC1 30555543 HITFYCVBOYILDG-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CC(C)Oc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 40092291 IBXPYMVQABVODH-HNNXBMFYSA-N 357.497 2.010 0 40 FEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(CN2CCOCC2)CC1 40118562 IUCJZPNNOQHDRP-UHFFFAOYSA-N 368.481 2.116 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 3328158 XWGAZVGGVYRPKM-UHFFFAOYSA-N 358.341 2.283 0 40 FEAB Cn1ncc2c(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)ncnc21 11606941 DJUHTTZXIBKBFH-CYBMUJFWSA-N 352.446 2.065 0 40 FEAB COC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)s1 32494447 YNMBQECIMKXAAO-SECBINFHSA-N 363.370 2.060 0 40 FEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(=O)O)c1 4926583 HXETUODTMUWPSB-UHFFFAOYSA-N 357.385 2.285 0 40 FEAB CC(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 6023974 YUQUWQKZXMCHTG-UHFFFAOYSA-N 351.384 2.010 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@H](C2)N3Cc2ccccc2F)n1 100737740 XDCMGZWZOQIKEO-IAGOWNOFSA-N 357.429 2.249 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 100747649 IWXVZIFVBBHOBT-XYJFISCASA-N 372.513 2.376 0 40 FEAB Cc1nc2cc([C@@H]3CCCN(C(=O)CCn4ccnc4)C3)nn2c(O)c1C 100137732 KETRCTKPIXLCIQ-OAHLLOKOSA-N 368.441 2.045 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 102609906 AHDKFRVLBWANDH-FPCVCCKLSA-N 357.797 2.252 0 40 FEAB Cc1nnc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1C 52900893 BQKIEFLNFWFQJH-UHFFFAOYSA-N 367.375 2.100 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OC[C@H]1CCCO1 22244589 LTYOJRXCMCESIZ-GFCCVEGCSA-N 362.451 2.449 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C[C@H](N(C)C)CCO2 108531698 PZXYHZGRVPJPJD-MRXNPFEDSA-N 352.500 2.259 0 40 FEAB Cc1cc(CN2CCN([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)on1 53456652 UNXSBPUYZGJFFA-KRWDZBQOSA-N 368.481 2.074 0 40 FEAB COc1cc(C(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)ccc1C 52041676 PDBHBNBMEJXWJI-UHFFFAOYSA-N 356.426 2.222 0 40 FEAB NS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H]2c2cccs2)c1 47033762 GPWPJKURXQFCNI-CQSZACIVSA-N 365.480 2.442 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccnn1Cc1ccccc1 23152911 ZEXILDVNOCWYSZ-UHFFFAOYSA-N 359.393 2.088 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCN)CC2)on1 100743749 PDAXZVUGCWFZNE-GASCZTMLSA-N 357.458 2.487 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1 1065425 HXNGWDJTGXLNRD-UHFFFAOYSA-N 353.787 2.339 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 43013795 QSSJSWQFLCJVIQ-INIZCTEOSA-N 368.481 2.327 0 40 FEAB Cc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2c1 12533435 UETTYXPGSJFIKN-RYUDHWBXSA-N 355.419 2.494 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1nc2ccccc2[nH]1 12538546 ZXUFXYYTPTZOPD-JTQLQIEISA-N 357.801 2.219 0 40 FEAB CCCCCC(=O)NOCc1nnc2n(CC)c(=O)c3ccccc3n12 58014391 MOLDKYGSUFOOMH-UHFFFAOYSA-N 357.414 2.192 0 40 FEAB NC(=O)Cn1c(CN2CCC[C@@H]2c2cccs2)nc2ccccc2c1=O 58175438 KAFLYQMOCMIERD-OAHLLOKOSA-N 368.462 2.280 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCCCCCC(=O)O)c(=O)oc2c1 2103843 OFBVYBHRXNZMIG-UHFFFAOYSA-N 361.394 2.414 0 40 FEAB biogenic O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)c1ccccc1 58210900 LLIQBROQXFAULU-UHFFFAOYSA-N 350.440 2.105 0 40 FEAB CCCCn1c(N)c(N(C)CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O 11035831 BFNIJNZCYVZNIV-UHFFFAOYSA-N 366.849 2.088 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCCC3)nc2)s1 48367872 PGJWBLLAIILRHM-UHFFFAOYSA-N 372.494 2.488 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)c(OC)c1 3459611 VQFKDFJLSJBGHX-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12941771 HNDPZYBJUTXOPA-NSHDSACASA-N 353.378 2.024 0 40 FEAB CCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(OC)c(F)c1 12994578 LTIBLRPZRUYYJX-UHFFFAOYSA-N 365.430 2.455 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)(C)C)c1 3538096 QSHYKXHNBSLFFA-UHFFFAOYSA-N 361.847 2.362 0 40 FEAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 3593955 WZUJZVCRENDHCF-KRWDZBQOSA-N 351.834 2.313 0 40 FEAB Cc1nn(C)c2c1[C@H](c1ccc3c(c1)n(C)c(=O)n3C)SCC(O)=N2 49548109 PLQYSUUBASTPDD-HNNXBMFYSA-N 357.439 2.343 0 40 FEAB COc1ccc(CNC(=O)CCNc2nc(Cl)nc3[nH]cnc23)cc1 13629372 SSEBGHBZGUIULX-UHFFFAOYSA-N 360.805 2.133 0 40 FEAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8423805 JIMHNJOTHKEMJY-UHFFFAOYSA-N 350.893 2.281 0 40 FEAB O=C(O)CCCCCNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1 8606800 AZKHPPMTYXHBSH-UHFFFAOYSA-N 355.398 2.225 0 40 FEAB COc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 4545822 PHIQMGGMFSYAJI-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)nc1 14803503 WBLQIUMKBDVCCC-UHFFFAOYSA-N 364.405 2.461 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1CCCc2ccccc21 5778688 RQPOWXDTHIWANH-INIZCTEOSA-N 370.430 2.025 0 40 FEAB CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nnc(C(=O)OC)c1C(=O)OC 4969630 HWRBVLXJLUMDPH-LBPRGKRZSA-N 374.397 2.058 0 40 FEAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)OC 7247114 XUPLZERMKLAFFQ-SKDRFNHKSA-N 364.261 2.315 0 40 FEAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N2CCCC2)c1C 9602259 PGSXSRHYSHGSHX-UHFFFAOYSA-N 350.440 2.493 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)o1)NCCOc1ccccc1 89845792 KBUGXXOMKXAVHK-UHFFFAOYSA-N 356.407 2.419 0 40 FEAB COC(=O)c1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1 9315323 WJJZDEYXUVYDBN-UHFFFAOYSA-N 353.422 2.234 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 89920481 LDOBHHJNGWXQKQ-BBRMVZONSA-N 354.454 2.431 0 40 FEAB CN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 95350050 MBPXQSCQTLWQGD-MRXNPFEDSA-N 369.343 2.006 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCCS(=O)(=O)C1 95461097 SJFHEPYSQCYJCX-JSGCOSHPSA-N 354.472 2.478 0 40 FEAB O=C([C@H]1CSCN1C(=O)C=C(C1CC1)C1CC1)N1CCSCC1 89598148 OCVXUYWNLLINGI-OAHLLOKOSA-N 352.525 2.210 0 40 FEAB O=C(CCCc1nnc2ccccn12)Nc1nnc([C@H]2CCCO2)s1 79464767 DICJVIUBFVPIOY-LLVKDONJSA-N 358.427 2.394 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 306142112 WPTPLYHQMNHJMP-PKOBYXMFSA-N 369.446 2.435 0 40 FEAB O=C(c1ccnn1CC(F)F)N1CCC(c2nncn2C2CC2)CC1 517215464 KKVYFXPHOHXNNJ-UHFFFAOYSA-N 350.373 2.094 0 40 FEAB O=C(N[C@@H]1CCc2ncc(C(=O)NC3CC3)n2C1)c1cccc(Cl)c1 306123498 AOXJCAMSIHECFL-CQSZACIVSA-N 358.829 2.174 0 40 FEAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)NC1CCCCCCC1 79484361 XUCRUJJYXALWPC-UHFFFAOYSA-N 353.426 2.273 0 40 FEAB CC(C)CN1C(=O)c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2C1=O 32097155 IORZQDNEIABUHD-UHFFFAOYSA-N 362.389 2.489 0 40 FEAB COC(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccccc2C(=O)O)c1 70666369 RMKRZVOVJUOJCQ-UHFFFAOYSA-N 356.378 2.419 0 40 FEAB biogenic CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H](C)C2)c1=O 44840468 ZZMFOJGRFMNWIB-LSDHHAIUSA-N 357.454 2.393 0 40 FEAB Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 132352405 JSWSMKYIENZTPF-CYBMUJFWSA-N 356.401 2.483 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(F)cc2)c1 225412524 SIKRQSKZKBDHRH-UHFFFAOYSA-N 350.415 2.096 0 40 FEAB COc1ccccc1CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222429456 BNXYWBDTJCLHFE-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccccc2)C1 222608819 KNRDZQASPZGLIV-MRXNPFEDSA-N 370.540 2.098 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1cccc(F)c1 224166564 WIIHPPSPYQOACN-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB COc1ccccc1-c1n[nH]cc1C(=O)N[C@@H](CO)Cc1ccccc1 230211341 IGQXGRGERJUREV-OAHLLOKOSA-N 351.406 2.419 0 40 FEAB F[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2ncccc2[nH]1 96112147 YSJSSGBWSBICFZ-DYVFJYSZSA-N 370.384 2.426 0 40 FEAB biogenic,in-vitro C[C@H](Cc1cccc(O)c1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 578006590 LKIFACGAPMGUKZ-KDOFPFPSSA-N 370.449 2.237 0 40 FEAB O=C(CCCn1cnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238899347 FWBFGPFPHOMUFE-SHTZXODSSA-N 371.437 2.184 0 40 FEAB O=S(=O)(c1ccc(NCc2ccc3c(c2)OCO3)nc1)N1CCCC1 96121161 WAPZMAVSKSGTLD-UHFFFAOYSA-N 361.423 2.207 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cncc(-c2cnn(C)c2)c1 257274140 NJSSAVQLXZAMFL-KRWDZBQOSA-N 364.405 2.394 0 40 FEAB CCCOC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 585123424 YSJPGIXAXLNBNI-UHFFFAOYSA-N 374.484 2.014 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 374154850 AXVWVOSPALBGPQ-AAEUAGOBSA-N 358.398 2.065 0 40 FEAB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 667191292 MTJDRLLTPOHRLQ-GFCCVEGCSA-N 371.478 2.471 0 40 FEAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1 585097508 KOPCBZRZCXCLKI-OAHLLOKOSA-N 350.426 2.094 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585095782 KJQHSAXFZPRQQG-HNNXBMFYSA-N 368.393 2.281 0 40 FEAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3CCC(C)C)C2)c1 585107985 QHMAYYIEARWFPT-CRAIPNDOSA-N 352.500 2.436 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@](O)(COc3cccc(C)c3)C2)[nH]1 585278581 UUXGGAICGMLBJD-FQEVSTJZSA-N 359.470 2.231 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)Cc3ccc(C)cc3)CC2)C1 585104024 VGEAVTZKDVZFPU-HXUWFJFHSA-N 374.525 2.371 0 40 FEAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(Br)c2)C1 96380121 OFEKXRAZMYVVIL-UHFFFAOYSA-N 360.273 2.344 0 40 FEAB Cc1ccc(C(=O)NCc2cccnc2)cc1N1CCCCS1(=O)=O 5381193 DYNAPMSBBDHXRU-UHFFFAOYSA-N 359.451 2.250 0 40 FEAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCOC 5414273 XBUPGHMEHXSBFK-HOCLYGCPSA-N 350.434 2.467 0 40 FEAB biogenic,in-vitro Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1 12223118 FLYPUJWDRKJEDC-UHFFFAOYSA-N 364.449 2.127 0 40 FEAB CCCc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 12557296 IGYYEBNBFCKQOU-UHFFFAOYSA-N 354.453 2.087 0 40 FEAB Cc1nc2ncnn2c(N2CCC[C@H](C(=O)O)C2)c1Cc1ccccc1 13564067 FESSWIFNACTQTR-HNNXBMFYSA-N 351.410 2.325 0 40 FEAB CCc1cc(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)on1 19522831 GFHWPWNHNSYKLO-LLVKDONJSA-N 363.439 2.013 0 40 FEAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cnc(C)n2C)n1 19573788 DVGZTSUMOLFHEF-SFHVURJKSA-N 357.458 2.198 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 169296137 KHWMYTSEJQOBMD-KSZLIROESA-N 356.466 2.430 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(c5ncc(Cl)cn5)C[C@@H]4C3)n1)CCC2 1888865645 HWRUWEKGRFRHFD-STQMWFEESA-N 356.861 2.290 0 40 FEAB O=C(CN1CCC[C@H](C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1 1888930504 NDJSIDMLVBTLEM-AWEZNQCLSA-N 365.474 2.052 0 40 FEAB c1cc(CN2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)ccn1 1775995028 OUNLKQVYDPWHNT-UHFFFAOYSA-N 363.469 2.499 0 40 FEAB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(C3CC3)nc2n(C)c1=O 4139082 DDCQAOMHALQXQF-UHFFFAOYSA-N 372.425 2.336 0 40 FEAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36597331 BDCXZQFNWNLUNY-QZTJIDSGSA-N 362.495 2.224 0 40 FEAB COc1cc(OC)c(OC)cc1CNCc1ccnc(N2CCOCC2)c1 30900355 PEOPANSWAWILBM-UHFFFAOYSA-N 373.453 2.234 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccccc2C)c2ccccc2O1 11204321 JGLTXWHHLVICTA-LJQANCHMSA-N 368.433 2.394 0 40 FEAB Cc1nn2c(=O)c(-c3ccc(Br)cc3)csc2nc1=O 1418882 KBQRJNDWKURIDM-UHFFFAOYSA-N 350.197 2.249 0 40 FEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc2c(c1)OCCO2 1462579 LCEVWVDPAMXEMP-UHFFFAOYSA-N 354.284 2.277 0 40 FEAB C[C@H](Sc1nnnn1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 11678999 XODSOJLEFBNNIU-JTQLQIEISA-N 354.395 2.404 0 40 FEAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1Br 101347775 SYWPZOYGZXJFER-JTQLQIEISA-N 351.160 2.033 0 40 FEAB O=C(Cc1ccccc1F)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707636 OQTQDJHUKCRTGP-UHFFFAOYSA-N 356.397 2.408 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(Cl)c1 100604050 AFTFDPFRMWTSGR-LALPHHSUSA-N 356.875 2.411 0 40 FEAB NS(=O)(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 32902279 ODOSUUBUWRXJCJ-UHFFFAOYSA-N 354.815 2.146 0 40 FEAB O=C(COn1nnc2ccc(Cl)cc21)Nc1ccc2c(c1)OCCCO2 9496189 SFRTXMLMIDXQJR-UHFFFAOYSA-N 374.784 2.313 0 40 FEAB COc1ccc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1 29817457 JAYCWGNRAADVQB-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB CCN(CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 53288993 LLXMAQLGJXCUMA-ROUUACIJSA-N 371.481 2.194 0 40 FEAB CCn1cc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cn1 104611317 NYAXZXBKSONYJO-UHOFOFEASA-N 351.414 2.153 0 40 FEAB COc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 23691933 MDZTVJKWSGDFAW-MRXNPFEDSA-N 368.433 2.416 0 40 FEAB NC(=O)C1CCN([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 57669641 RNIASRUMZWVDCT-QGZVFWFLSA-N 354.458 2.075 0 40 FEAB COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101723061 CEWPSCCDSLVLHJ-LBPRGKRZSA-N 353.378 2.278 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)NC4(CCCCC4)C3=O)o2)cc1 23731910 YEGYMXJYZZKIEE-UHFFFAOYSA-N 356.382 2.500 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nccs1 61720257 KEQLJDXWABZTCV-ZDUSSCGKSA-N 359.455 2.002 0 40 FEAB O=C(CCNC(=O)[C@@H]1CCCN1Cc1ccccc1)Nc1ccccn1 57171029 ZDOXVNQORNAFAF-KRWDZBQOSA-N 352.438 2.191 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)NCCCN1CCCCCC1 22913639 LUZJDCBUCKKLTP-UHFFFAOYSA-N 353.488 2.054 0 40 FEAB COCCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 113962022 MLDKIKUUCQDZHZ-UHFFFAOYSA-N 356.488 2.002 0 40 FEAB Cc1ccc(C(=O)C2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)c(C)c1 26644357 MNXBDALQECMHKV-QGZVFWFLSA-N 358.482 2.445 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 58182114 GFVBQNDZVYIXPN-HNAYVOBHSA-N 368.433 2.414 0 40 FEAB C[C@@H](Sc1nncs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 58210557 NDTWYEDCUSQJRY-SNVBAGLBSA-N 358.489 2.098 0 40 FEAB NC(=O)Cn1c(SCc2ccn(-c3cccc(F)c3)n2)nnc1C1CC1 58225862 UFFCENFEZBSTHE-UHFFFAOYSA-N 372.429 2.258 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1 58268426 CUTWWOHBBSLTAM-AWEZNQCLSA-N 353.488 2.045 0 40 FEAB CCCNC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC 28002625 VRGJEUKQTJRLKD-BLLLJJGKSA-N 367.877 2.127 0 40 FEAB Cn1cc(S(N)(=O)=O)cc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 28333732 GYVFALNYVHGQTL-UHFFFAOYSA-N 365.499 2.009 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)cc1 10923847 WZPQNXKSMBICQP-UHFFFAOYSA-N 366.464 2.129 0 40 FEAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 12937856 MHCLDLOKDFYETL-MWLCHTKSSA-N 368.850 2.020 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 12944868 DIFJDHZQCUCBGO-QGZVFWFLSA-N 358.463 2.442 0 40 FEAB CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@@H](c2ccccc2)C1 12925503 JIFIDFIFRLTAHO-HXUWFJFHSA-N 361.449 2.455 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1SCc1cscn1 12948838 SLMALDPOMOBZGF-NSHDSACASA-N 368.505 2.352 0 40 FEAB CC(C)n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 8314709 ZJOPXGZVXBCKON-LLVKDONJSA-N 360.443 2.110 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 13436965 NJBPMIXCZZSWLH-KRWDZBQOSA-N 355.346 2.340 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)Cn3c(=O)n(C)c4ccccc43)ccc12 14110327 NGOHFFUBBCNTGL-UHFFFAOYSA-N 363.373 2.394 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccnn1Cc1ccccc1 14226314 BBGMQXDUECOBFW-UHFFFAOYSA-N 359.389 2.280 0 40 FEAB CCn1nnc2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)ccc21 14371192 IHFMDKJEWPUPJA-UHFFFAOYSA-N 368.422 2.021 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 5560679 HZWLRHSEQLHCGB-UHFFFAOYSA-N 368.345 2.016 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 6678988 OMJMUURRHNPKRM-UHFFFAOYSA-N 365.361 2.162 0 40 FEAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1nc(-c2ccccc2)cs1 8762007 JQTNAYHNVSIDTA-JTQLQIEISA-N 369.406 2.366 0 40 FEAB CC(C)NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208539 FSWGGGYUSWPPIK-UHFFFAOYSA-N 361.405 2.236 0 40 FEAB NNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19419508 DQQJLRSMBIXUPN-UHFFFAOYSA-N 356.455 2.241 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 71281436 XIGUZBWHQXJVDC-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB COc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)c1 9368482 JIZMIMOCZUSMBP-UHFFFAOYSA-N 367.449 2.082 0 40 FEAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)c1 408707711 CMAOQRSNUNCDRK-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB CC1(C)[C@H]2CC=C(COC(=O)CNC3=NS(=O)(=O)c4ccccc43)[C@@H]1C2 84673962 YLPZGVWGMQLADM-ZFWWWQNUSA-N 374.462 2.261 0 40 FEAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C[C@H](O)c2cccc(F)c2)cn1 89333137 UYYSGQGXMSTDOY-AEFFLSMTSA-N 359.401 2.247 0 40 FEAB COC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccc(OC)cc1 409081054 FYSOEHMZDCZDJH-UHFFFAOYSA-N 351.362 2.358 0 40 FEAB Cc1cc(C)n(-c2ccc(COC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)n1 36759100 GJXFILMEQXQTLX-INIZCTEOSA-N 362.451 2.357 0 40 FEAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)on1 32855821 PRSLCZAOQGKVEJ-UHFFFAOYSA-N 365.411 2.116 0 40 FEAB CCCOc1cccc(C(=O)NC(=S)Nn2c(C)nnc2SC)c1 33871447 FOCYOPKXMMKVDK-UHFFFAOYSA-N 365.484 2.356 0 40 FEAB Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 75629585 FUYRBZDWGXUBRC-UHFFFAOYSA-N 361.833 2.106 0 40 FEAB CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224435417 RWEGJYWNATZQEI-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc2c(s1)CCCC2 237319234 NNWMGOXXKJQXLH-UHFFFAOYSA-N 364.467 2.022 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1)S(C)(=O)=O 193753582 UCRCAYYTCUCOGF-OAHLLOKOSA-N 358.463 2.426 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)Cc1cccs1)C2 96237756 IWYJMMCAUWSICP-FQEVSTJZSA-N 369.490 2.240 0 40 FEAB Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)s1 96217941 XZBLYHSTMLMEHZ-DNVCBOLYSA-N 357.479 2.469 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 96226983 KSULYFPOXWMFQI-DENIHFKCSA-N 363.461 2.488 0 40 FEAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@]1(COC(=O)C1)O2 524730776 XCEIXRWKIFQZDC-XSQBMUMNSA-N 352.471 2.427 0 40 FEAB biogenic Cn1cc(N2CCC[C@H](N3CC[C@@]4(C3)OCc3ccccc34)C2=O)cn1 248689375 IGDGNDPDNHVXLZ-ICSRJNTNSA-N 352.438 2.047 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](Cc3cncc(-c4nccn4C)n3)C2)cn1 257274646 NLYWIDNWUZLKHB-HNNXBMFYSA-N 362.437 2.285 0 40 FEAB Cc1nc([C@]2(C)CCCN(Cc3cncs3)C2)nc2c1CC(=O)N2C 257296287 RCBRYSQAZILQOA-GOSISDBHSA-N 357.483 2.314 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@H](c3ncc(CN(C)C)[nH]3)C2)c1 257301619 RZDKQWKXRZHLOC-ZDUSSCGKSA-N 358.442 2.118 0 40 FEAB CN1CCN(C(=O)c2cnco2)C[C@H](Cc2cncc3ccccc23)C1 257204246 ATRUKEPQPDLJOU-OAHLLOKOSA-N 350.422 2.469 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257276196 NSTFDVRJGZSQSE-GOSISDBHSA-N 354.454 2.230 0 40 FEAB CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CN(C)CC2 257315877 VDBQHOGBCSZPJK-OAHLLOKOSA-N 351.454 2.136 0 40 FEAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCC(=O)O)CCO2)n1 257215894 CSBYUANRUDWLAK-INIZCTEOSA-N 373.409 2.372 0 40 FEAB COC(=O)CC[C@H](NC(=O)c1cn2cc(CN)ccc2n1)c1ccccc1 1121872230 HIJGMOZNPAAQII-INIZCTEOSA-N 366.421 2.217 0 40 FEAB O=C(NC[C@H](CO)Cc1ccccc1)c1nscc1Br 651357300 RSOLTXKCAQLHAV-LLVKDONJSA-N 355.257 2.487 0 40 FEAB Cc1ccncc1C(=O)N1CCN(C(=O)c2cnccc2C)CC(C)C1 654239580 ZITGRJILWQLKDV-UHFFFAOYSA-N 352.438 2.328 0 40 FEAB CO[C@](C)(C(=O)O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 663068745 ASCNZKDZEZREDU-FQEVSTJZSA-N 355.390 2.394 0 40 FEAB Cc1nc2cc(CNC(=O)c3cnc(C(=O)O)cn3)ccc2n1C1CC1 574400849 ZDFHTWHTIIWJTI-UHFFFAOYSA-N 351.366 2.098 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2[nH]cnc2C)C3)n1 575406065 VBTIAQUYCDZOKB-INIZCTEOSA-N 356.426 2.012 0 40 FEAB CO[C@@H]1CCN(C(=O)CN2CCCCCC2=O)C[C@H]1Cc1ccccc1 585276561 PTGSWUGVPDGSQU-RTBURBONSA-N 358.482 2.495 0 40 FEAB CS(=O)(=O)NCCc1ccc(-c2csc(Cn3ccnc3)n2)cc1 585098229 MURWQOLWNYAESN-UHFFFAOYSA-N 362.480 2.147 0 40 FEAB CC(C)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 48303081 QMTPOOAMLGBVEU-UHFFFAOYSA-N 368.499 2.200 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)c1c(F)cccc1F 57120453 ZZLLGILUZMSDSU-UHFFFAOYSA-N 371.361 2.426 0 40 FEAB CCc1noc([C@H]2CC[C@@H](NS(=O)(=O)c3ccsc3C(=O)O)C2)n1 1605876855 VGBGYXDCNDOTFR-DTWKUNHWSA-N 371.440 2.006 0 40 FEAB CCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCC[C@@H](CO)C1 12087645 RPBFQCDLJMEUIJ-CQSZACIVSA-N 354.458 2.209 0 40 FEAB COc1cccc(C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)c1 12145869 ZYRWYZWXJRDUHC-UHFFFAOYSA-N 364.405 2.277 0 40 FEAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)NC(C)(C)C 12423177 BTJLBWACQHSVIP-UHFFFAOYSA-N 366.483 2.375 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)NC2CCCC2)CC1=O 12865240 FPCFAKLYILSLLY-UONOGXRCSA-N 374.437 2.039 0 40 FEAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccco1)N1CCOCC1 15831819 SHDAWZKCIBYMHZ-KRWDZBQOSA-N 358.438 2.465 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC)cc1Cl 16610201 DEBPSWOJTIJGMP-NSHDSACASA-N 362.879 2.274 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1 19173366 WWRFLSNKLJCUQL-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19375468 BOXYYAFFZCXHCM-OALUTQOASA-N 364.449 2.100 0 40 FEAB Cc1nc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)cs1 1888881716 LTTXPOYICAMSPU-UHFFFAOYSA-N 357.439 2.425 0 40 FEAB CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N(C)C 21768296 OZMNXDOMIZDSLJ-NSHDSACASA-N 353.271 2.385 0 40 FEAB O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)NC2CC2)c1 25768261 LGTYTQRWEQFDBL-UHFFFAOYSA-N 363.464 2.325 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3C[C@@]32C(=O)Nc2cccc(F)c2)cn1 2056224940 HSQRBIAZHRODLH-DJJJIMSYSA-N 355.369 2.473 0 40 FEAB O=C(c1cc[nH]n1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542841 XTBVHDPOBAFNLO-HKUYNNGSSA-N 356.426 2.033 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCCCC1 4326857 ZGPTXSSYPZZGAV-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB CCOc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499742 NFXYCQDRNQARTL-UHFFFAOYSA-N 356.407 2.219 0 40 FEAB O=C1NCCOc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 9171856 INFGIZMWAOFDTB-UHFFFAOYSA-N 350.330 2.168 0 40 FEAB Cc1cc(F)ccc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772619 FRHBGDJRTDYVJT-UHFFFAOYSA-N 370.428 2.194 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(C)cc1 101113665 LKMAWOQROSOWOY-OQKWZONESA-N 352.394 2.417 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc2c(c1)OCCO2 575413788 XJUSLLBRQSLSBZ-OYLQIYHASA-N 369.373 2.050 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)cc1 22685389 AQDJCODTECVZPQ-UHFFFAOYSA-N 358.419 2.321 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1sccc1-n1cnnn1 40093077 XHBYRWDNTTWSEA-AWEZNQCLSA-N 372.454 2.274 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(CCc2ccc(O)cc2)CC1 40050468 YHKBRFVHBFOGGC-CQSZACIVSA-N 359.470 2.414 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)n1 40106328 NHKVLRIQZUNPRY-UHFFFAOYSA-N 373.381 2.244 0 40 FEAB Cn1nnnc1SCCCNCc1ccc(-c2ccc(C(=O)O)cc2)o1 20427924 JSOPIYJNTMBAFA-UHFFFAOYSA-N 373.438 2.440 0 40 FEAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1nc2ncccn2n1 36618701 RRVLAXXAUBOKDO-UHFFFAOYSA-N 365.372 2.377 0 40 FEAB Cc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccccc2)CC1 51100472 ULXLZUUSEUJUQL-UHFFFAOYSA-N 372.494 2.309 0 40 FEAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)C3CCCCC3)c(=O)n1C2 4258944 YEDXNIINFBKDOH-GOEBONIOSA-N 357.454 2.333 0 40 FEAB biogenic,in-vitro Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 101435871 HMSCNPYROSTRCC-PYQAKABTSA-N 365.389 2.217 0 40 FEAB CCCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O 6656582 NIKOAWODTUIATE-MDWZMJQESA-N 350.396 2.006 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1O 45963997 FNFFVGVEXOTCRP-UHFFFAOYSA-N 360.435 2.107 0 40 FEAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1-n1cccc1 57711487 ANVJUYHPYCGKBY-UHFFFAOYSA-N 362.437 2.028 0 40 FEAB COc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O 33324576 KRTLBUKLGGTMMD-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 22350843 WZZWYXKWAORQLR-UHFFFAOYSA-N 372.368 2.382 0 40 FEAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 53646743 DHVAWBNUORKFJW-UHFFFAOYSA-N 351.255 2.101 0 40 FEAB Cc1cc(O)n2nc(C3CCN(C(=O)c4n[nH]cc4Cl)CC3)cc2n1 100137488 XLBRLPOKOQJUBG-UHFFFAOYSA-N 360.805 2.140 0 40 FEAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCc2ccco2)c1 42236725 DKWOVOLXFSDJBO-UHFFFAOYSA-N 362.329 2.050 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1c[nH]nc1-c1ccc(F)cc1 54017421 SZCQYPNXSHPDMK-OAHLLOKOSA-N 366.400 2.405 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sccc3c2=O)c1C 7495070 UDDHLXUGFBUMLM-UHFFFAOYSA-N 359.407 2.463 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccc(I)cc1 1040890 RAUZJFBUNWMKQC-UHFFFAOYSA-N 374.207 2.151 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 25145269 RCSRHRJWAKMVGF-RYUDHWBXSA-N 364.389 2.446 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 20461039 AJQYSOZUPLDDQS-UHFFFAOYSA-N 362.407 2.374 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2)cc1 113870483 COJWQFVURSQDLY-UHFFFAOYSA-N 362.407 2.233 0 40 FEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H](C)C(C)C)c1 58201417 PRLAEJQQHJGAAY-GUOLPTJISA-N 371.455 2.213 0 40 FEAB NC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1 10675363 KHYIMRSLBGESGC-SJKOYZFVSA-N 374.343 2.088 0 40 FEAB CC(C)N(C(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 7580818 XDSPBZYOWZDHKA-UHFFFAOYSA-N 370.405 2.149 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 48235473 WHJOTLYKKDFQDT-CYBMUJFWSA-N 367.829 2.455 0 40 FEAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 48310012 SUGKURLIGMITRB-IYBDPMFKSA-N 370.497 2.389 0 40 FEAB Cc1csc(CNC(=O)NCCNC(=O)c2ccc(C)c(F)c2)n1 48350472 AHNXWABZCGSMGC-UHFFFAOYSA-N 350.419 2.128 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 3548329 UOKBYUSUUFPPDM-CYBMUJFWSA-N 351.366 2.155 0 40 FEAB COc1cccc(CN(C)CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c1 13016793 INYQKIWISHJCKG-UHFFFAOYSA-N 370.409 2.212 0 40 FEAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)NC3CC3)n2CCC(=O)O)c1 13198454 BIMDSQXOCDZSOO-GFCCVEGCSA-N 374.466 2.487 0 40 FEAB C[C@@H](NC(=O)COc1ccc(CC(=O)O)cc1)c1ccc2c(c1)OCO2 13421260 YGHRTBGFJSBEDB-GFCCVEGCSA-N 357.362 2.299 0 40 FEAB Cc1cccc(N2CCN(C(=O)COc3ccccc3C(N)=O)CC2)c1C 7849509 CVFNQRZSTDFXBG-UHFFFAOYSA-N 367.449 2.130 0 40 FEAB Cc1cccc(CC(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 13719773 JNCBGQNJWGXANB-UHFFFAOYSA-N 373.416 2.276 0 40 FEAB C[C@@H]1C[C@@H](N2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)C(=O)O1 8038904 MBKZYWBQLOUXQK-SOIKWTOOSA-N 364.401 2.380 0 40 FEAB COc1cc(CNC[C@H](O)CN2CCCC2)ccc1OCc1ccncc1 65274775 JFFDALGDHWDPRB-IBGZPJMESA-N 371.481 2.216 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccccc3F)C2=O)cc1 14092746 CQOBFDNDSQTCHI-LJQANCHMSA-N 356.353 2.484 0 40 FEAB COc1ccnc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)n1 14140789 DUOHFQFOSRDHMG-UHFFFAOYSA-N 366.425 2.166 0 40 FEAB CCc1noc(C)c1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 14197583 GUMLGYMOLHPQMO-UHFFFAOYSA-N 374.416 2.081 0 40 FEAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 14181707 PQZAJTZLJDERFI-UHFFFAOYSA-N 351.255 2.283 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 4513469 FFAVTSSNDUBTKA-UHFFFAOYSA-N 369.465 2.462 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592935 ZHLKGWXHGCRPRT-YFUQURRKSA-N 368.433 2.131 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1Cl 4512373 QDSLCHJCYYXTEW-IBRGLHJFSA-N 363.797 2.328 0 40 FEAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@H]3C2)cc1 22860501 FBUWYWUKHYXXSO-FUHWJXTLSA-N 370.501 2.306 0 40 FEAB COc1cc(C(=O)Nc2cc(F)ccc2C)cc(OC)c1OCC(N)=O 8113808 FQFBMOPDARBVDY-UHFFFAOYSA-N 362.357 2.268 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1F 6639698 RTYXVLXPTGTDRO-LLVKDONJSA-N 361.398 2.200 0 40 FEAB C/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 5624598 YOEZRCOFBIFTNB-GHRIWEEISA-N 367.380 2.468 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1Cl 6788444 DOYVWAGZAPGTNU-UHFFFAOYSA-N 352.843 2.487 0 40 FEAB O=C(COc1ccc(Cl)cc1)NN1C(=O)NC2(CCCCC2)C1=O 6993072 XNKPQLYGPLQKQT-UHFFFAOYSA-N 351.790 2.005 0 40 FEAB CCCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)n[nH]c1=O 8746930 PMTLXVWSOVFEMN-UHFFFAOYSA-N 350.473 2.477 0 40 FEAB Cn1cc(C[C@@H]2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3O)C2)cn1 84407307 IJKCBGAZKXISEZ-ZDUSSCGKSA-N 369.400 2.155 0 40 FEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(Br)ccc1F 78676917 SJBFBJPCRIXIKS-SECBINFHSA-N 366.252 2.483 0 40 FEAB CC(C)N(C)CCCNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 95405502 LMYUNWIWWZCBBP-MRXNPFEDSA-N 352.523 2.197 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449214 RIPRDIDBVGJXIQ-HFBAOOFYSA-N 374.453 2.038 0 40 FEAB Cn1ncc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)c1C(F)(F)F 79092963 DXJMWKFGTRJLRL-VIFPVBQESA-N 358.286 2.082 0 40 FEAB CCc1n[nH]c(=O)c(CNC(=O)C[C@@H]2OCCc3ccsc32)c1CC 89282536 MDJOMTUQUUBQSO-HNNXBMFYSA-N 361.467 2.277 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CN(C2CCCCC2)C2CC2)c1 32913417 MPDFLPOBKOOKMN-UHFFFAOYSA-N 351.472 2.070 0 40 FEAB O=C(Cc1ccccc1)Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408532122 LZBVRVPLZZRVRF-UHFFFAOYSA-N 352.394 2.286 0 40 FEAB CN(C(=O)CN1CCC[C@H]1c1ccc2c(N)n[nH]c2n1)C1CCCCC1 72374504 AKDSNPKQZRSXKD-INIZCTEOSA-N 356.474 2.468 0 40 FEAB C[C@H](N)C(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 79393216 ZHXNMFNDZAAJOX-HNNXBMFYSA-N 359.470 2.373 0 40 FEAB Cc1ccsc1CN1CCc2c(nc(N3C[C@H](C)O[C@H](C)C3)[nH]c2=O)C1 72335484 WXZGELMVLJRPMZ-OKILXGFUSA-N 374.510 2.312 0 40 FEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496541 YHXXMBKUPKLBED-ZDUSSCGKSA-N 356.444 2.054 0 40 FEAB C[C@H](CO)NC(=O)c1ccc(NCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 332160724 PYPVDKVIGKRXSZ-GJYPPUQNSA-N 373.497 2.390 0 40 FEAB Cn1cccc1CN1CCC2(CC1)CCN(C(=O)Cc1cccnc1)C2 96062873 RODJWBPALMXCEI-UHFFFAOYSA-N 352.482 2.477 0 40 FEAB COc1ccc(CN2C[C@H]3OCCN(C(=O)c4ccco4)C[C@H]3C2)cc1 96110916 VEVWBFHZRMTOMH-VQIMIIECSA-N 356.422 2.261 0 40 FEAB Cc1cccc(COC[C@@H]2c3nnn(C)c3CCN2Cc2ccoc2)n1 96198477 USPKRAOKCVMNTI-GOSISDBHSA-N 353.426 2.428 0 40 FEAB CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 96182913 YFTHWVXJYNSMLV-AOIWGVFYSA-N 351.454 2.244 0 40 FEAB Cc1occc1C(=O)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96229133 FAXBFDLBGJBDPP-IBGZPJMESA-N 356.426 2.137 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(COCCN(c3ccccn3)C2)C1 96076778 RQCZJJZGXHAKRV-FQEVSTJZSA-N 352.438 2.236 0 40 FEAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96047829 UVMPEXJMZDFIOL-KRWDZBQOSA-N 350.434 2.054 0 40 FEAB O=C(NCC(F)(F)c1ccccc1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 333043446 AUVSZZNOGNNGJQ-MRXNPFEDSA-N 372.437 2.389 0 40 FEAB O=C(Cn1cccn1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099887 GRAFKSVRVQDKFP-UHFFFAOYSA-N 359.480 2.417 0 40 FEAB O=C(COC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21)N1CCCC1 247728998 FLWRTANSVMFRPS-GOSISDBHSA-N 372.444 2.218 0 40 FEAB Cc1cc(OC2CN(C(=O)Cc3ccc(F)cc3)C2)cc(=O)n1C1CC1 252527597 CYXYSKYSFLLFQK-UHFFFAOYSA-N 356.397 2.463 0 40 FEAB C[C@@H]1c2nc(C(=O)NC3CC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591023 IDCYIFOCFNCLLJ-GFCCVEGCSA-N 354.410 2.081 0 40 FEAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)C1CC1 585085702 RDOOFWPHVGWWGF-QGZVFWFLSA-N 359.451 2.369 0 40 FEAB O=C(c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1cccnc1)N1CCCC1 257326637 WXZVKYQIPWKVLR-KRWDZBQOSA-N 367.453 2.337 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 250673838 OHEWRGOAIJXQLH-WBVHZDCISA-N 358.438 2.210 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN(Cc3cncn3C)C2)n1 257262670 LMINDYTVLDRHPB-OAHLLOKOSA-N 364.457 2.432 0 40 FEAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccc(Cl)s1 252502572 UQYQEDUIBHPTTF-UHFFFAOYSA-N 362.846 2.369 0 40 FEAB C[C@@]1(NC(=O)c2cncc(Cc3cccc(F)c3)c2)CCS(=O)(=O)C1 257202410 ALRNWHXWVXQXPP-GOSISDBHSA-N 362.426 2.119 0 40 FEAB COC[C@@H](C)n1c(SC[C@@]2(O)CCCOC2)nc2ccccc2c1=O 656692600 BXZIDIPGXAJNPR-FZKQIMNGSA-N 364.467 2.238 0 40 FEAB O=C1CC[C@@H](NCc2cnc(N3CCCC3)nc2)[C@H](c2ccccc2)N1 666464025 DDZLISHBBJGSOB-MJGOQNOKSA-N 351.454 2.186 0 40 FEAB Cc1nnc([C@H]2CN(Cc3ccccc3N3CCOCC3)C[C@@H](C)O2)o1 668650161 XBARBKCUTTVAOO-RDTXWAMCSA-N 358.442 2.177 0 40 FEAB Cc1nccc(N2CCN(C(=O)[C@@H]3CCN(C)c4ccccc43)CC2)n1 680601705 DOQXWWSCLYQKTO-QGZVFWFLSA-N 351.454 2.057 0 40 FEAB Cc1cocc1C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 1775997930 VLVQDSRODAUQAA-IBGZPJMESA-N 358.394 2.328 0 40 FEAB CO[C@@H]1C[C@H](CNc2nc(C)nc3c2CCCC3)N(c2ccncn2)C1 1775959535 FFGJDPBVNQQTGF-HUUCEWRRSA-N 354.458 2.160 0 40 FEAB O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1Cl 90612583 JEZBQEMDMNTFBF-ZDUSSCGKSA-N 369.826 2.471 0 40 FEAB COC(=O)c1ccc(C(=O)NCCn2nc(-c3cccnc3)cc2C)cc1 390826137 CPQWQMPGANSJMW-UHFFFAOYSA-N 364.405 2.470 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(S(=O)(=O)C(C)C)C3)cs1 575403797 KOHOYQXPKIMTQR-CYBMUJFWSA-N 362.542 2.266 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@H]1C 585096876 BVEUOLKJWITTNZ-OAHLLOKOSA-N 369.469 2.230 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@](O)(COc2ccccc2)C1 585273543 WNOCWOZRBPUXKU-HXUWFJFHSA-N 357.454 2.012 0 40 FEAB C[C@H]1CCCCN1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12184420 JGBPVHWKENRRMP-ZDUSSCGKSA-N 365.437 2.323 0 40 FEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 13947437 OIWUAJCGVCXNBX-UHFFFAOYSA-N 368.405 2.484 0 40 FEAB O=C(CN1CCCN(c2ccccn2)CC1)Nc1ccc2c(c1)OCCO2 19659139 ACOICNDJQRTXPI-UHFFFAOYSA-N 368.437 2.004 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c(C)o1 512263645 WYNWWQDKDDYDCY-KBPBESRZSA-N 361.421 2.099 0 40 FEAB C[C@@H]1CCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 1999493 JATLJHBAMQKRDH-LLVKDONJSA-N 359.401 2.098 0 40 FEAB in-man COc1nccnc1N(C)CC1CCN(C(=O)c2c(C)noc2C)CC1 1888853523 UDRSAAFJODJQBY-UHFFFAOYSA-N 359.430 2.079 0 40 FEAB Cc1nc(N2CCN(Cc3csc(C)n3)CC2)cc(-n2cccn2)n1 1889139186 GZOYQVZVXSIUBH-UHFFFAOYSA-N 355.471 2.058 0 40 FEAB C[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)c1ccc(F)cc1F 31487434 LSPFVUQFOWHWQR-QMMMGPOBSA-N 358.341 2.242 0 40 FEAB Cn1cnc2c(NC[C@H]3CN(Cc4ccccc4)CCCO3)ncnc21 683196146 UZXPALFZYYWGGA-INIZCTEOSA-N 352.442 2.066 0 40 FEAB CSc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(C(C)(C)C)n1 2086949995 DOOZPSAYUNNKFY-ZDUSSCGKSA-N 364.515 2.324 0 40 FEAB O=C(N1CCC2(CC1)CN(Cc1nccs1)CCO2)C1(F)CCC1 1565544004 YVJBBGVLKDMFBN-UHFFFAOYSA-N 353.463 2.229 0 40 FEAB Cc1ccsc1CCC(=O)N1CCCN(c2ccc3nncn3n2)CC1 1565523572 SVCDGQFGJRERMB-UHFFFAOYSA-N 370.482 2.166 0 40 FEAB CCO[C@@H](NC(=O)Cn1nnc2ccccc21)C(Cl)(Cl)Cl 1274095 XLVIJDCKSNKEMG-LLVKDONJSA-N 351.621 2.280 0 40 FEAB COc1cc(Nc2nc3ccccc3n3nnnc23)cc(OC)c1OC 1431868 DMXXVEJAWUZXIH-UHFFFAOYSA-N 352.354 2.442 0 40 FEAB NC(=O)CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 7386923 FXZQYBLMTALCKA-UHFFFAOYSA-N 352.485 2.270 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)N1CCc2ccccc21 9708786 ACSWFCBPZITMFC-UHFFFAOYSA-N 373.459 2.479 0 40 FEAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1 11846866 UCBPZINJHCGLBN-QGZVFWFLSA-N 351.447 2.280 0 40 FEAB Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)cc1F 2055772732 VPOSLVYJYGAAJQ-UHFFFAOYSA-N 358.417 2.050 0 40 FEAB CC(C)C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 40033794 RXTFFGGZPDBCNI-QGZVFWFLSA-N 367.453 2.424 0 40 FEAB COCCNC(=O)c1cc(Cl)c(I)cc1OC 40073305 GCBSHBKLNCKGCF-UHFFFAOYSA-N 369.586 2.329 0 40 FEAB CC1CCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)CC1 40105093 NPJTWFCZOQJZET-OAHLLOKOSA-N 367.519 2.118 0 40 FEAB CCSc1ncc2c(=O)n(CC(=O)Nc3ccc(C)cc3)cnc2n1 20190999 RAHOBUKAEYSGBB-UHFFFAOYSA-N 355.423 2.246 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccnc1-n1cccn1 31227485 MTUOZZCENAEUJV-SUMWQHHRSA-N 350.378 2.112 0 40 FEAB CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@@H](O)COCC(C)C)c1 45718158 YYVPSSIOLVCQDJ-SUMWQHHRSA-N 351.447 2.039 0 40 FEAB CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51134089 ISIOGLZTSXDFHD-UHFFFAOYSA-N 374.418 2.156 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1Cc2ccccc2O1 9114442 IEMCOWYVCMUMNT-KRWDZBQOSA-N 357.362 2.433 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2c(F)cccc2F)cc1 7983661 LTBYZWLLKIHYBN-UHFFFAOYSA-N 363.364 2.482 0 40 FEAB COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 10368731 YRLZJPKCADNOGJ-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1Cl 8447710 WDGAJFBMPVRCFU-UHFFFAOYSA-N 365.282 2.496 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ccnc3)nn2c(O)c1C 100138832 QJUFVMRCRFDAIP-UKRRQHHQSA-N 354.414 2.173 0 40 FEAB COc1ccc([C@H](O)CNC(=O)NCCCn2cnc3ccccc32)cc1 41448077 AYBMXBULINJJNW-LJQANCHMSA-N 368.437 2.468 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100561005 ANFAOSQMAXJMSD-LSOMNZGLSA-N 369.417 2.060 0 40 FEAB O=C1O[C@H](NC(=O)c2ccccc2)C(Br)=C1Br 984365 RRYYFWLAUVOENF-JTQLQIEISA-N 360.989 2.301 0 40 FEAB O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2 100736849 DWTFKHXQRBNBRB-GHMZBOCLSA-N 351.859 2.271 0 40 FEAB Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1S(N)(=O)=O 23693269 ANHMLEHDKQBAET-UHFFFAOYSA-N 356.350 2.496 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2ccc(OC)c(F)c2)C1=O 57909488 WIZDGODTBJRCEU-LLVKDONJSA-N 365.405 2.122 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCCC3)cc(C3CC3)nc21 24752538 XLQBJRQETDAUHM-UHFFFAOYSA-N 370.453 2.388 0 40 FEAB COCCCNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C 51317936 CVIMTWRYMNLQBO-UHFFFAOYSA-N 367.247 2.413 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 107326509 VCWVYVKXMQWPFT-DVZHBHJUSA-N 369.421 2.021 0 40 FEAB CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 56638797 FSPORRWPEAJJKG-GFCCVEGCSA-N 357.863 2.025 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57478777 XWMVOPHZTJYAAF-CQSZACIVSA-N 369.446 2.048 0 40 FEAB Cc1ccnc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 62022898 AHAIVMXJJUBRIE-OAHLLOKOSA-N 363.425 2.221 0 40 FEAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 12555602 OUCAABUOEQFDTG-LBPRGKRZSA-N 363.439 2.090 0 40 FEAB Cn1cnnc1SCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 58171657 ITTRCSHYRRZGGO-UHFFFAOYSA-N 354.436 2.250 0 40 FEAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CCC(=O)NC(N)=O)OCCO3 58571531 YMGXTDBCDHUEBL-CYBMUJFWSA-N 373.453 2.231 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cn1 3233324 SLNNMHCPUCKTAA-UHFFFAOYSA-N 361.226 2.276 0 40 FEAB Cc1nnc(SCC(=O)N2CCC(C(=O)O)CC2)n1Cc1ccccc1 3291098 UWTOWEQXERIBJO-UHFFFAOYSA-N 374.466 2.050 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2cccc(Br)c2)cn1 3217113 JVJCSRGILLAJIK-UHFFFAOYSA-N 350.172 2.343 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCc3ccccc3F)ccc2N1S(C)(=O)=O 8246573 DUPWZYZXTUSKIX-LBPRGKRZSA-N 362.426 2.466 0 40 FEAB Cc1ccc(OCCCCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 49323361 RNVIJZUSXXNOPT-MRXNPFEDSA-N 371.524 2.191 0 40 FEAB COC(=O)COc1ccc2nc(C)n(-c3ccc(OC)cc3)c(=O)c2c1 13691701 JSEOYHBLLZJPPU-UHFFFAOYSA-N 354.362 2.255 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2cc(Br)ccc2o1 13625871 KPMLINYPZFNXBQ-SNVBAGLBSA-N 358.213 2.112 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c(=O)[nH]1 6424139 IARKNWYGOSUMFA-UHFFFAOYSA-N 351.387 2.311 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 14183990 RRQKDFYRGAXFPV-LLVKDONJSA-N 350.412 2.364 0 40 FEAB CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]1(C)CCS(=O)(=O)C1 4505169 ZQGJPPDPHZYHCJ-AWEZNQCLSA-N 366.266 2.408 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccc(OC)cc2)c1 5513694 SPHLZUSUJGPKPM-UHFFFAOYSA-N 357.362 2.450 0 40 FEAB Cc1cc(S(=O)(=O)NCc2cccnc2)cc2c1N(C)C(=O)C2(C)C 71195968 YCGAHTHCPVSRRC-UHFFFAOYSA-N 359.451 2.123 0 40 FEAB CC1CCN(C(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)CC1 15858577 SLESHOFKAPNOQC-UHFFFAOYSA-N 364.467 2.261 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3ccco3)N(C)C)CC2=O)cc1 9605005 DSRNCOZYGBUFHK-ROUUACIJSA-N 369.465 2.356 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 89962743 XKFWEBUQGNDCMJ-CQSZACIVSA-N 368.484 2.023 0 40 FEAB CCCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)c1ccco1 72306637 MTSUNOVKRZVKKH-KRWDZBQOSA-N 351.424 2.101 0 40 FEAB CC(C)CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC(C)C 95465118 SSTKZXITMKWNHZ-GJZGRUSLSA-N 369.506 2.014 0 40 FEAB CCN1CCO[C@@H](C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)C1 73226167 BJIWAUGODRYHFC-QGZVFWFLSA-N 359.401 2.350 0 40 FEAB Cc1noc(COCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)n1 74532259 UWXNEAVTZBVQET-OAHLLOKOSA-N 355.398 2.145 0 40 FEAB Cc1nc(CN2CC[C@@]3(C[C@H]4CC[C@H]3N4c3ncccn3)C2=O)cs1 306139723 TYLITDQYMFPWDF-RKVPGOIHSA-N 355.467 2.402 0 40 FEAB Cc1cccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 408703667 WHMBAQGVCSKRFK-UHFFFAOYSA-N 362.451 2.404 0 40 FEAB N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)Cc1cc[nH]n1 514674963 AVHUYVCXHHEORN-SFTDATJTSA-N 350.466 2.343 0 40 FEAB C[C@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 527659015 NFVJKXBNAVGUBS-NQYYFHDYSA-N 371.529 2.306 0 40 FEAB CC(=O)c1ccc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 36329947 ZCGKEPLVMKSJTL-UHFFFAOYSA-N 364.405 2.196 0 40 FEAB Cn1c(O)nc2cc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)ccc21 517861764 GSZXMJTWGHDAEF-LLVKDONJSA-N 357.332 2.462 0 40 FEAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCc2cccnc2)C1 503844438 WGLWXJAFGZPALI-QUCCMNQESA-N 353.470 2.124 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOC[C@H](C2CCC2)C1 564091685 BYNBLBTXIXMZTB-KBXCAEBGSA-N 360.454 2.138 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCn1ncc(=O)c2ccccc21 32820241 GNKKMJRSVNASAB-UHFFFAOYSA-N 365.389 2.174 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30756680 OBQJIJOTYGMMHW-YGRLFVJLSA-N 360.863 2.172 0 40 FEAB CCOC(=O)Cc1cnc(Cc2ccc(Br)cc2)[nH]c1=O 226100549 XTALSNLXKXDGPR-UHFFFAOYSA-N 351.200 2.229 0 40 FEAB Cc1cccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 223616942 IGFXHIXDBSZSKE-UHFFFAOYSA-N 364.442 2.259 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)nn1 570024945 BKUJMOXCIHEVCX-GUYCJALGSA-N 356.401 2.406 0 40 FEAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)c(C)c2)cc1 75155572 HCXILEZQVRJZJT-GOSISDBHSA-N 367.442 2.415 0 40 FEAB NC[C@H]1CC[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C1 583074417 RLZNKLJRKQHDOQ-SMDDNHRTSA-N 368.275 2.481 0 40 FEAB CC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)CC1 96296378 JROZULDNYOTRCX-SFHVURJKSA-N 372.444 2.189 0 40 FEAB biogenic,in-vitro O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96041028 APRDHQJYWHWDRA-BZSNNMDCSA-N 357.479 2.439 0 40 FEAB COCCn1cnc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)c1 96266789 BULGEEFLPSKUHB-HNNXBMFYSA-N 368.437 2.358 0 40 FEAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1 257210075 BTAUWQQRWNOWPW-HNNXBMFYSA-N 352.398 2.459 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)c1 257212257 CCNYERIBZJEPLX-UYAOXDASSA-N 355.438 2.421 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257328689 XGSHALMDUPJYFP-YOEHRIQHSA-N 371.437 2.331 0 40 FEAB CCn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 257236569 HCTSJTLEYDVTJJ-LPHOPBHVSA-N 368.485 2.100 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)C1 630284145 VTUPITCESNVUKG-YHUYYLMFSA-N 364.486 2.373 0 40 FEAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 585095755 IGFAWPKSWPLLRE-OAHLLOKOSA-N 360.483 2.377 0 40 FEAB COCCNC(=O)C[C@H]1CN(CCc2ccccc2)Cc2cccn2C1 585099019 BQOSMKPWYUKOGC-IBGZPJMESA-N 355.482 2.315 0 40 FEAB Cc1ccc(OC2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)CC2)nc1 1615001220 VPRLKYGNDSZZMN-IBGZPJMESA-N 373.497 2.261 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N1CCOCC1 1012890 HMTVJIWVWCDLFJ-UKTHLTGXSA-N 366.826 2.235 0 40 FEAB Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cnn1C 12188790 VOJLYDXWDDLEFZ-AWEZNQCLSA-N 352.398 2.193 0 40 FEAB Cc1nccn1CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12221680 SEDDBBIFVTUARC-UHFFFAOYSA-N 366.425 2.433 0 40 FEAB O=C(NCc1ccco1)c1csc(NS(=O)(=O)c2ccccc2)n1 12627997 XAXRAQRMDMKOON-UHFFFAOYSA-N 363.420 2.467 0 40 FEAB CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)c(Cl)c1 16855428 FFIIQWDXCKDMET-UHFFFAOYSA-N 369.212 2.063 0 40 FEAB CC1CCN(c2ncc(-c3cncn3[C@@H](C)CN3CCOCC3)cn2)CC1 19719980 VPPHBBPBAMNCOJ-KRWDZBQOSA-N 370.501 2.470 0 40 FEAB Cn1cc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)nn1 1888891016 WVMJXXUQYUUXPT-UHFFFAOYSA-N 356.817 2.432 0 40 FEAB COc1ccc(C(=O)NCC2(N3CCOCC3)CCSCC2)cc1F 1776009279 ZCXGWUKKNLZDKW-UHFFFAOYSA-N 368.474 2.162 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)CCn3ccnc3)CC2)cc1C 2037916023 IEWFDHAQONABBA-UHFFFAOYSA-N 357.454 2.323 0 40 FEAB COc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)cc1 1615102234 DNSVZYLMAWUJQW-OAQYLSRUSA-N 367.449 2.023 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 1565541629 IKVWJSWYXNTYAG-UGKGYDQZSA-N 364.445 2.083 0 40 FEAB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(Cc2ccccn2)C1=S 1442534 KEMMEQSPJKOUJL-MRXNPFEDSA-N 368.462 2.428 0 40 FEAB CCCC[C@H](CC)CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O 2601719 GTHHDQWYIBOBAK-LBPRGKRZSA-N 351.472 2.474 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccnc1 3272202 CZMSWIHELKATMA-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB CCn1cc(CN2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)cn1 2055751347 MZONACDZCHLUDM-FQEVSTJZSA-N 355.486 2.438 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](C)c2ccccc2)C1 40092049 LMXCHXMUMGLBRV-WBVHZDCISA-N 352.500 2.358 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)c3ccccc3F)ccc2c1=O 40146565 VBLCRGUOFOLZNZ-LLVKDONJSA-N 355.369 2.340 0 40 FEAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)N[C@H](C)CO 40103989 RJYAAUSFFDCABY-GFCCVEGCSA-N 373.409 2.458 0 40 FEAB Cc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 932414 ZOZCLKYVYRWXQD-UHFFFAOYSA-N 369.406 2.430 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29506470 FBAGDDQWMJMVEL-JKSUJKDBSA-N 350.459 2.417 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)c1 32873959 YKEVRZIZLWDTID-ZDUSSCGKSA-N 364.427 2.404 0 40 FEAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(=O)n(Cc2ccccc2)n1 46278511 IQPABFFOSUYDIK-QGZVFWFLSA-N 361.401 2.025 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869180 YMPIFHPPZGMVGL-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB CN(CC(=O)NCc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 2644980 QPEAEERLSOCHMP-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H](C)C(=O)N4CCNC4=O)cc3c2C1 22042479 VLEVTJXTLISRAY-RYUDHWBXSA-N 369.421 2.390 0 40 FEAB O=C(c1ccccc1)C12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 103107998 IWIXXVARLOJWRQ-HFBPFTJQSA-N 359.219 2.498 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)s1 56044029 VBRTYQFHJIDYQA-SNVBAGLBSA-N 370.418 2.142 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1 23442175 BPGJCVKIUKNXKO-UHFFFAOYSA-N 369.440 2.208 0 40 FEAB O=C(O)CCCNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 61720884 UQIFZXPXKKRUKM-UHFFFAOYSA-N 365.389 2.045 0 40 FEAB CNC(=O)c1cccc(NC(=O)CNc2ccc(F)c(NC(C)=O)c2)c1 24368177 VLYYFGQWSJAJRY-UHFFFAOYSA-N 358.373 2.194 0 40 FEAB COC(=O)C1(NC(=O)CCN(Cc2ccccc2)C(C)=O)CCCCC1 69700948 RKQIQGGIQNPMBX-UHFFFAOYSA-N 360.454 2.417 0 40 FEAB C[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCNC1=O 56174690 MGXAAJMQORTJMK-CYBMUJFWSA-N 352.394 2.291 0 40 FEAB Cn1c(=O)c2ccccc2n2c(CN3CCC[C@@H](C(F)(F)F)C3)nnc12 12533364 ZTFWRERWDIQJAA-LLVKDONJSA-N 365.359 2.356 0 40 FEAB Cc1ccc(F)cc1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O 10031692 LUJHFKCNGRQNEV-UHFFFAOYSA-N 365.382 2.333 0 40 FEAB COc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccc2c(c1)OCO2 58158506 XPZHNJAKLYQKFK-ZDUSSCGKSA-N 374.393 2.328 0 40 FEAB CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC(=O)OC 58210075 CNRMBSZBYWCZRD-NSHDSACASA-N 364.423 2.003 0 40 FEAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 58218695 CBPQQIOWBUPDJE-SFHVURJKSA-N 356.466 2.115 0 40 FEAB Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2c1C 58345467 RQDNUEWWJJRLMC-VXGBXAGGSA-N 351.472 2.228 0 40 FEAB CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1C[C@H](C)O[C@H](C)C1 58380736 WVUCXHCFROEYSO-FCEWJHQRSA-N 371.485 2.399 0 40 FEAB CCOc1ccc2nc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2c1 12699049 AFCWOGPFXIZWBY-LBPRGKRZSA-N 369.468 2.058 0 40 FEAB NC(=O)CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccco1 36391405 SVRJIUNVOAMMAC-UHFFFAOYSA-N 368.422 2.354 0 40 FEAB O=C(CSC(=S)N1CCCCC1)Nc1ncc2c(n1)CCCC2=O 2398144 RJCXAJUDPOOXGM-UHFFFAOYSA-N 364.496 2.438 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 3392547 AUARYVCSKDKHEX-UHFFFAOYSA-N 368.389 2.383 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c1 12804101 GXARRAPIBVAHOE-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB COc1ccc(C(=O)NCC(=O)NCCCc2nc3ccccc3[nH]2)cc1 21528637 FIVFRHFSXVQEJJ-UHFFFAOYSA-N 366.421 2.050 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)=O)o2)c1 3427715 GDXREIKYAIWPMK-UHFFFAOYSA-N 369.468 2.448 0 40 FEAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc(OC)c(Br)c1 38068622 UDIHGJAKLGVOSL-JTQLQIEISA-N 357.248 2.492 0 40 FEAB C[C@]12C(=O)N(Cc3ccncc3)CC(=O)N1CCc1c2[nH]c2ccccc12 3999596 ODOGNUMXKQULIG-NRFANRHFSA-N 360.417 2.205 0 40 FEAB biogenic Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1C 16619407 RDNICAYLEOGUQM-UHFFFAOYSA-N 369.373 2.188 0 40 FEAB O=C(CCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)NC1CCCCC1 70007293 SWRRFEXBQINESS-KRWDZBQOSA-N 361.417 2.274 0 40 FEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1nc2ccccc2c(=O)[nH]1 15351128 NJCJBJMXOVXQDA-GFCCVEGCSA-N 361.405 2.353 0 40 FEAB Cn1nc(CC(=O)NCCCOc2ccccc2F)c2ccccc2c1=O 8777207 KNTPPODUDUQWTH-UHFFFAOYSA-N 369.396 2.200 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)C(=O)N(C)[C@]1(O)C(F)(F)F 8941550 OACMMKFXQOEHAZ-SLEUVZQESA-N 360.332 2.155 0 40 FEAB CCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC)c(Cl)c2)s1 9134483 NXTDYQVAFGJGJY-UHFFFAOYSA-N 361.832 2.246 0 40 FEAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)N(C)C)c1 19537742 AWTLAFSIXAAIMM-IBGZPJMESA-N 355.438 2.395 0 40 FEAB Cc1ccc(C)c(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 96001752 AWKXLSXQTJUGNZ-INIZCTEOSA-N 367.409 2.301 0 40 FEAB O=C(O)[C@@H](CNS(=O)(=O)c1cccc(F)c1F)Cc1cccs1 97101862 PFSCQBGMBPRNFP-SECBINFHSA-N 361.391 2.248 0 40 FEAB Cc1cc(NC(=O)CCc2cc3n(n2)CCNC3)cc2sc(N)nc12 72410423 ZIEAHHQJFOTNGB-UHFFFAOYSA-N 356.455 2.058 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1F 95430091 GREPQEJMWOARNI-MEBBXXQBSA-N 356.394 2.125 0 40 FEAB CCOC(=O)N1CCC(N2CCC(OCCN3CCCC3)CC2)CC1 95457129 PFZGZSKBDKHTMA-UHFFFAOYSA-N 353.507 2.184 0 40 FEAB C[C@H](NCc1cnn([C@H]2CCS(=O)(=O)C2)c1)c1ccc(F)cc1F 79100035 YGKUCKYTRQJEJQ-FZMZJTMJSA-N 355.410 2.372 0 40 FEAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CCN1CCOCC1 89573840 HFLLNUYGJAGXMC-CYBMUJFWSA-N 359.392 2.296 0 40 FEAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306131287 KACHRHUNFZZSJJ-UHFFFAOYSA-N 357.458 2.240 0 40 FEAB C[C@@H](N[C@H](C)c1nnnn1C)c1cc2c(cc1Br)OCCO2 189833798 YAIJQJXHGSLTPF-RKDXNWHRSA-N 368.235 2.156 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 32361536 REYYNQNPKOTRNS-UHFFFAOYSA-N 364.405 2.444 0 40 FEAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38753012 YFSPDAUXNUPNRL-YJBOKZPZSA-N 374.462 2.481 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1c(C)cc(C)cc1C 71980246 PDXGUQUIFLBIHJ-INIZCTEOSA-N 360.454 2.349 0 40 FEAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCCc1cnccn1)C2 561464916 AFARBOJNIHNIMP-UHFFFAOYSA-N 356.426 2.411 0 40 FEAB O=C(Nc1cc(-c2ccco2)nn1CCO)c1cc(=O)c2ccccc2o1 42384653 GFWOYCNLCFOPJW-UHFFFAOYSA-N 365.345 2.494 0 40 FEAB COc1cc(-c2noc(Cn3c4c(sc3=O)CCCCC4)n2)ncn1 521007979 DLTRXPNLFRPUTE-UHFFFAOYSA-N 359.411 2.076 0 40 FEAB CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccccc3F)nc12 47274731 ULJPGRLJBVMAOU-UHFFFAOYSA-N 358.373 2.383 0 40 FEAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223296495 IBMBPWSACUIICZ-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB CN(C)CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cn1 225916492 VTRLGQREFSXMPL-UHFFFAOYSA-N 363.458 2.284 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)NC(=O)CO4)c2c1 85875089 AZJLRIKYPVXPPC-UHFFFAOYSA-N 365.389 2.480 0 40 FEAB biogenic Fc1ccc(CN2CCO[C@@]3(COCCN(Cc4ccncc4)C3)C2)cc1 96049837 OMYZCDMXYWWKKC-OAQYLSRUSA-N 371.456 2.324 0 40 FEAB O=C(c1ccoc1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 96217689 PXMBOODNRPLVAX-INIZCTEOSA-N 357.410 2.408 0 40 FEAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1ccc(F)cc1)CC2 96255916 DHMMRHLPCHELCB-UHFFFAOYSA-N 366.400 2.160 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1cc(F)cc(F)c1)CCC2 96259367 GBOJYNFFROWSBL-UHFFFAOYSA-N 374.391 2.330 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 96053351 WWPZXUDPNKMHGH-MRXNPFEDSA-N 374.481 2.475 0 40 FEAB CC(C)NC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 96147006 HQGFGJPGEVQLFH-UHFFFAOYSA-N 350.488 2.288 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](Oc2cccnc2)CO3)cn1 96106719 SQKQIRDVUSCRNO-MRXNPFEDSA-N 354.410 2.023 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)C(=O)N1CC1CC1 96261636 PEAMNLZCKJEDIH-FRIZHTMISA-N 357.433 2.261 0 40 FEAB Cc1ccoc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044415 UJXZXVVYMLDQSC-INIZCTEOSA-N 359.426 2.255 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159167 YBRDOCRJLPSIFS-UHFFFAOYSA-N 357.435 2.181 0 40 FEAB O=S(=O)(N[C@H]1CCn2nccc2C1)c1ccc(OC(F)(F)F)cc1 245026703 NHMIXBNIAQLOAE-JTQLQIEISA-N 361.345 2.075 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)ncn1 257295120 QXBIHGLNBLWGSN-GOSISDBHSA-N 359.401 2.163 0 40 FEAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2c(C)noc2C)C3)nc1 253600266 IOVHYTWLGHUZTN-HNNXBMFYSA-N 371.441 2.123 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)COc3ccccc3F)CCO2)ncn1 257255527 KHVFKQLGZABKIB-INIZCTEOSA-N 359.401 2.163 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257319601 VTFULUFMQJNEMY-IBGZPJMESA-N 357.458 2.102 0 40 FEAB O=C(COc1ccccc1F)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 371245703 XZQKAFKKPUVCBD-JTQLQIEISA-N 372.322 2.237 0 40 FEAB COc1cc(S(=O)(=O)N(C)c2c(C)noc2C)c(Cl)cc1C(=O)O 674234990 WMJJXXWPBLKLHA-UHFFFAOYSA-N 374.802 2.477 0 40 FEAB Cc1ccc([C@@H](CNC(=O)NCCOc2ccccc2)OCCO)cc1 96338408 OEPJZCKMJBWJGA-LJQANCHMSA-N 358.438 2.423 0 40 FEAB CCn1cc(CN2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)cn1 585103408 VQNXSAIGOUXJMA-KRWDZBQOSA-N 355.486 2.273 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C1(F)CCOCC1 585113110 ZYCSGSAJRHAOAM-KRWDZBQOSA-N 373.428 2.180 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(N(C)C)cc2)c1 11693665 UENHDDOVIDHMMF-UHFFFAOYSA-N 364.467 2.291 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(O)nc2nc(-c3ccco3)nn12 16956786 NTDQNQVBEYKYFI-NSHDSACASA-N 365.349 2.496 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC12CC3CC(CC(C3)C1)C2 17305498 YRXCQOMPUFAXOR-UHFFFAOYSA-N 367.449 2.165 0 40 FEAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nc2ncnn12 19462199 WJGORKLZZIHCFQ-SNVBAGLBSA-N 366.381 2.219 0 40 FEAB CCn1ncc(C(=O)N2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)c1C 19523879 AIJRQWXUWFNVJR-CJNGLKHVSA-N 350.426 2.465 0 40 FEAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)cc1CN1CCOCC1 19575740 RHCFKHMJWNQCNU-PXNSSMCTSA-N 359.514 2.196 0 40 FEAB Cc1nc([C@@H]2CCCCN2CC(=O)N(C)C)ncc1C(=O)N1CCCCC1 19765736 ZCMMBEGEJOMOHI-KRWDZBQOSA-N 373.501 2.026 0 40 FEAB CN1CC[C@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)S1(=O)=O 647382422 PTDAEIGWDUEFEK-SNVBAGLBSA-N 363.317 2.342 0 40 FEAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1CC(c2ccccc2)C1 684973444 DTAISRVSJYLTLT-PREGVCBESA-N 350.484 2.111 0 40 FEAB O=C(c1ccccn1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888897911 NMUONIQREPJTAY-UHFFFAOYSA-N 361.405 2.207 0 40 FEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888898004 GOHOWMDOECXTBQ-UHFFFAOYSA-N 357.393 2.194 0 40 FEAB CS(=O)(=O)N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 32490562 WBRHDSSFJKNPEJ-UHFFFAOYSA-N 355.847 2.072 0 40 FEAB Cc1ncsc1C(=O)N1CCO[C@@]2(CCCCN(C(C)C)C2=O)C1 2037985724 UALVYHQAHOZCRH-KRWDZBQOSA-N 351.472 2.084 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccncc3)CC2)Nc2ccccc2CN1 2037978187 GIIHULLMXZYZTH-UHFFFAOYSA-N 350.422 2.188 0 40 FEAB COc1ccc(CCC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 10592787 PECKKZYVMHNXIC-UHFFFAOYSA-N 351.410 2.228 0 40 FEAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@@H]32)cn1 2055713264 PXMISNVSBOYYLR-ZSZQSSIHSA-N 369.421 2.421 0 40 FEAB CCCOc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1 23127582 NJPCIQFEENTXHW-UHFFFAOYSA-N 370.515 2.112 0 40 FEAB CC(C)Sc1ccc(CC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1 585148726 DLAVNXCIJCYSSF-UHFFFAOYSA-N 360.479 2.337 0 40 FEAB COC(=O)CSc1nnc(N2CCN(c3ccccc3)CC2)s1 23140116 PENYRLIKGJZVFJ-UHFFFAOYSA-N 350.469 2.130 0 40 FEAB CN1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 30029523 FGGFLXHMVBGZBB-IBGZPJMESA-N 372.490 2.360 0 40 FEAB Cc1ccc2ncn(CCC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2c1 40127932 DZTHIFKKWNOLSJ-UHFFFAOYSA-N 351.362 2.462 0 40 FEAB COC(=O)c1sc(NCc2cccnc2N2CCOCC2)nc1Cl 40149472 QKWVTCIRLVZHLG-UHFFFAOYSA-N 368.846 2.427 0 40 FEAB Cc1nc(-c2ccc(OCc3ccc(S(=O)(=O)N(C)C)o3)cc2)no1 40116510 JBNAVMCMHWYERA-UHFFFAOYSA-N 363.395 2.467 0 40 FEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100330819 VDLJGIWRIFOWCQ-XWLWVQCSSA-N 373.718 2.043 0 40 FEAB CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 68340878 YGRXVZPTZLRQOU-RBUKOAKNSA-N 357.498 2.020 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 7735278 ORIOBXHONJSVTA-UHFFFAOYSA-N 373.390 2.465 0 40 FEAB Nc1nc(N)nc(COC(=O)CCCOc2ccc(Cl)cc2Cl)n1 7722448 VYODZEFMTZBVIR-UHFFFAOYSA-N 372.212 2.245 0 40 FEAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 11500171 WOLJWQFIJODZNR-FZKQIMNGSA-N 371.412 2.098 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCCCC3)c[nH]c2c1 32093987 SNDQHCXJPNQROH-IPLHWJFFSA-N 371.393 2.359 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 6891373 DQHJKNXGTAHHGG-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 7842803 UZARFESCDJJJKW-CQSZACIVSA-N 369.373 2.440 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 8362863 AJQOQMOWZPOUFP-UHFFFAOYSA-N 363.421 2.210 0 40 FEAB O=S(=O)(NCc1nnc2ccccn12)c1ccc(OC(F)(F)F)cc1 8515567 YZALYLHXSKRSIX-UHFFFAOYSA-N 372.328 2.106 0 40 FEAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc2c(c1)OCO2 11905536 LVZLXZRMTLHCDX-UHFFFAOYSA-N 359.407 2.108 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 100395269 SKTLOHGDCDQMBF-KKFZBWNWSA-N 354.381 2.189 0 40 FEAB CCCCNC(=O)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 7834885 AYCSVLTWVNEBSE-UHFFFAOYSA-N 351.407 2.329 0 40 FEAB COc1cccc(COCC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 46776768 ANESXSGOMLZRGR-HZPDHXFCSA-N 364.486 2.216 0 40 FEAB Cc1cc(N)nc(SCC(=O)NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 103417147 XOJDWBCLVJLPMZ-ZDEQEGDKSA-N 363.487 2.110 0 40 FEAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl 12442703 GYNCPIBOWKJNJK-DHZHZOJOSA-N 353.854 2.178 0 40 FEAB COc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1 12508084 APPSTZARHASWOP-UHFFFAOYSA-N 365.407 2.303 0 40 FEAB Fc1cccc(N2CCOC[C@@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 107795197 MOIWSTDMTVTDNG-HNAYVOBHSA-N 358.417 2.340 0 40 FEAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(F)c1 47776783 ARFRHQVDSXMHGY-QGZVFWFLSA-N 370.490 2.292 0 40 FEAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2nnnn2-c2ccccc2)CC1 24776202 QCBLYCRSYKTQJU-UHFFFAOYSA-N 373.420 2.106 0 40 FEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnccn1 3276651 PWZKNHCEDCSEMH-UHFFFAOYSA-N 372.425 2.363 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCN(c2ccccc2)C1 106670770 HZHQVRONKKKSIU-HNNXBMFYSA-N 358.463 2.407 0 40 FEAB CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(O)c(OC)c1 1404453 XHRRTYBCUKFJNW-IRXDYDNUSA-N 368.389 2.198 0 40 FEAB Cc1cc(=O)oc2ccc(OCC(=O)N(C)c3ccc(C(N)=O)cc3)cc12 55985755 KIHZXKOIPSXWSN-UHFFFAOYSA-N 366.373 2.242 0 40 FEAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)sc2ncn(C)c(=O)c12 25421400 MHPVMRYPKSICJG-AWEZNQCLSA-N 370.478 2.336 0 40 FEAB CC(=O)NCC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3254318 OPXILMKXVASMEU-UHFFFAOYSA-N 356.403 2.495 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(S(N)(=O)=O)s1 58111680 FOFLIJIQFCGIHY-UHFFFAOYSA-N 362.835 2.460 0 40 FEAB CC(C)n1cnc([C@H]2CN(C)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139425 SWWRQOKGUXRSJE-YLJYHZDGSA-N 353.470 2.307 0 40 FEAB CC(C)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 36383801 VLSDVFCQECAJTH-UHFFFAOYSA-N 357.376 2.444 0 40 FEAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)CCO1 48287412 LRNAGHMXJOUVOO-CYBMUJFWSA-N 367.409 2.220 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2C(=O)COc3ccccc32)n1 48333702 RMCZGQUEUXMXLT-CQSZACIVSA-N 370.453 2.068 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(F)c1 12883946 VMGBSEBCNYUSTH-LJQANCHMSA-N 353.353 2.373 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 3461250 YOVAHAZVPZPNLW-FQEVSTJZSA-N 357.454 2.411 0 40 FEAB O=C1CCCN1C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 12986970 RKHXQEZKGCMUFB-UHFFFAOYSA-N 353.403 2.274 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(F)c(F)c1 49243343 BCVJVPBNRKTILB-OAHLLOKOSA-N 364.348 2.269 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC(F)F 4159233 ISQJHJPNRBXNBX-CYBMUJFWSA-N 372.393 2.270 0 40 FEAB COc1ccc(OC)c(-c2noc(CSc3nc(C)cc(=O)[nH]3)n2)c1 4385870 VPICWYGEJYOOIH-UHFFFAOYSA-N 360.395 2.438 0 40 FEAB COC(=O)c1snc2c(=O)n(Cc3ccc(Cl)cc3)c(O)nc12 67341769 ZQBHGUTXYBJYAH-UHFFFAOYSA-N 351.771 2.047 0 40 FEAB COc1ccc(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 39992542 ZXKOLMMHTMTEEE-UHFFFAOYSA-N 364.449 2.021 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1 28208224 JJJCEGYONWZUOP-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB CN(C(=O)C(=O)NCCCN1CCCCCC1)c1ccc(F)c(F)c1 65612319 CYHPENMQWJTSPN-UHFFFAOYSA-N 353.413 2.310 0 40 FEAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2sc3c(c12)CCC3 6909679 SDHBJDXZCUZILN-UHFFFAOYSA-N 367.478 2.191 0 40 FEAB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1Cc1cccs1 7168226 RCNGXXZTRWSJEY-UHFFFAOYSA-N 373.434 2.207 0 40 FEAB Cc1ccccc1CNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842678 HXUYWEIMJOBIIW-AWEZNQCLSA-N 372.446 2.238 0 40 FEAB CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)c2cnn(C)c2)no1 96000612 PWPMQTMYCWBDBA-ZDUSSCGKSA-N 353.448 2.233 0 40 FEAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 9606133 DZJUXEHITULOGY-CQSZACIVSA-N 359.451 2.380 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1 79073533 PHPHFYDGVWQISE-OAHLLOKOSA-N 363.458 2.483 0 40 FEAB COc1ccc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cc1Cl 84656421 ZTQGDUCGHRTESS-INIZCTEOSA-N 368.842 2.028 0 40 FEAB Cc1ccc(-n2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)nn2)cc1 95424046 WKWXELDROYSAEN-INIZCTEOSA-N 350.378 2.001 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)nc1C 95453324 WVZLQPFJYQGHRG-CZUORRHYSA-N 351.472 2.044 0 40 FEAB CCOC(=O)N[C@H](CNC(=O)CCNC(=O)c1ccccc1)CC(C)C 36392732 FVIKYUUHUVMYBE-INIZCTEOSA-N 363.458 2.084 0 40 FEAB O=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)NCc1ccccc1 36390199 JYBJISLMEMWKMN-UHFFFAOYSA-N 370.428 2.292 0 40 FEAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223192987 DPJRUQSNSOOZRQ-LJQANCHMSA-N 372.440 2.284 0 40 FEAB O=C(CN1CCCCCCC1=O)NCc1ccc(Cn2cccn2)cc1 48064528 WJQPDNYWQGKKFY-UHFFFAOYSA-N 354.454 2.340 0 40 FEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 226388880 SKTLOHGDCDQMBF-PDCGBLAGSA-N 354.381 2.189 0 40 FEAB COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)N2CCNC2=O)c1 141524549 ALYCYYUHFCYYTH-HXUWFJFHSA-N 365.433 2.195 0 40 FEAB COc1cccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)c1 230217419 IXQNTJCICKWGPJ-OGWOLHLISA-N 360.410 2.131 0 40 FEAB CC(=O)Nc1nc(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cs1 583259500 BTLCLCPYHUTJRE-BETUJISGSA-N 367.377 2.404 0 40 FEAB COc1cc(=O)n(CC(=O)NCc2cccc(F)c2)nc1-c1ccccc1 96100843 GDIDCMZDGSGIBT-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(OC)cc1 96519923 CUPXCEPVBQBAEU-GHMZBOCLSA-N 357.653 2.451 0 40 FEAB O=S1(=O)NCC2(CCN(Cc3ccccn3)CC2)COc2ccccc21 96037118 NHTAGEWASPEVRD-UHFFFAOYSA-N 373.478 2.035 0 40 FEAB COC(=O)c1nc(NC(=O)CCCc2nnc3ccccn23)sc1C 96117591 MJKZNKCNBFVFBL-UHFFFAOYSA-N 359.411 2.242 0 40 FEAB COc1ncccc1CN1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96215215 DAFHHTIZCWBHIT-BEFAXECRSA-N 356.426 2.042 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCc2cnccn2)cc1 583623743 PGDQCILJGLSFAJ-QUCCMNQESA-N 355.438 2.317 0 40 FEAB Cc1nc(C(=O)N2Cc3cncn3[C@@H](COc3ncccc3F)C2)cs1 248041569 OZUCRKBWIHEBQV-CYBMUJFWSA-N 373.413 2.458 0 40 FEAB O=C(Cn1cccnc1=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257268126 MKISRDIXWOFSMO-LZWOXQAQSA-N 373.840 2.213 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382036 AEBVDLZPPSAPCK-UAFMIMERSA-N 353.466 2.186 0 40 FEAB biogenic,in-vitro CC1(C)CN(CC(=O)NC2CCN(C3CC3)CC2)Cc2ccccc2O1 585083878 KFUOBEHGEABGBU-UHFFFAOYSA-N 357.498 2.403 0 40 FEAB O=C(C[C@@H]1CCCCO1)N1CCC(c2n[nH]cc2C(=O)N2CCCC2)CC1 257223884 DZIXMDITUZTPEO-INIZCTEOSA-N 374.485 2.311 0 40 FEAB COc1ncccc1C(=O)N1CCC[C@H]1c1ccnc(CNC(C)=O)c1 257254376 KCUHYHTVVQRYEX-KRWDZBQOSA-N 354.410 2.099 0 40 FEAB COc1cccc(C(=O)NCc2cncc([C@@H]3CCCN3C(C)=O)n2)c1 257231508 GHAFEDQPMVNCCH-SFHVURJKSA-N 354.410 2.099 0 40 FEAB O=C(O)c1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)n1 262728983 HAIQBNRIQADLMV-UHFFFAOYSA-N 362.332 2.494 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccccc1Br 644073142 FOVBPTOOGOVRAG-GLQYFDAESA-N 353.260 2.167 0 40 FEAB Cc1ccc(CC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)cn1 671620504 WNNJCFDCJFIWHK-FXAWDEMLSA-N 355.486 2.208 0 40 FEAB CN1CCc2ccc(S(=O)(=O)N[C@H](CC(=O)O)c3cccs3)cc21 681556677 CREHVZLMBIWQHA-CYBMUJFWSA-N 366.464 2.235 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 298152691 XPRATVYWHRCJCG-UHFFFAOYSA-N 370.449 2.458 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)no1 575187849 YBNPZNYKUBCKAK-CYBMUJFWSA-N 356.386 2.779 0 40 FEAB C[C@@]1(CNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1(F)F 661135085 ARZSHODYWNYRBG-GUYCJALGSA-N 367.396 2.011 0 40 FEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cnc(C4CCNCC4)[nH]3)C2)n1 685941197 AIXMWEQECSMYLL-MRXNPFEDSA-N 356.474 2.167 0 40 FEAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)NC3CCOCC3)CC2)n1 1775970747 CEKOLHUHNASTTO-UHFFFAOYSA-N 362.474 2.066 0 40 FEAB COc1ccc2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)[nH]c2c1 12143486 LBNQBLKBKMUAMG-UHFFFAOYSA-N 368.437 2.349 0 40 FEAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H]2C1 12188445 IITMRCUYLAVWOD-MJGOQNOKSA-N 358.463 2.471 0 40 FEAB CCn1c(N2CCC(C(=O)NCCCN(C)C)CC2)nc2ccccc21 12221309 FFQWKAGMTACAKL-UHFFFAOYSA-N 357.502 2.341 0 40 FEAB COc1ccccc1CC(=O)N1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1 13225675 MUIFBAGAZKOTBI-OAHLLOKOSA-N 366.421 2.311 0 40 FEAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 13267595 VCSGBPRYQDKQNI-KRWDZBQOSA-N 353.422 2.219 0 40 FEAB CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1cc(F)ccc1OC 13581247 OJBIOCINGUATPN-UHFFFAOYSA-N 372.462 2.248 0 40 FEAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 13673007 MNEJEMCQOJMCBW-KRWDZBQOSA-N 367.515 2.443 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(C)cc2)Oc2ccccc21 13680702 SKPPAPKOZDOGFZ-SFHVURJKSA-N 374.462 2.229 0 40 FEAB COc1ccccc1CN1CCc2[nH]c(-c3cccnc3)nc(=O)c2CC1 19570704 DZAUKDYJIKTWEN-UHFFFAOYSA-N 362.433 2.441 0 40 FEAB CN1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 19589918 FCYDGARNQYKFNO-LJQANCHMSA-N 366.444 2.197 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)o1 19692441 URPVDVMLHCQIRC-QGZVFWFLSA-N 365.393 2.357 0 40 FEAB COc1cc([C@@H]2CC(=O)c3cn4ncnc4nc3C2)cc(OC)c1OC 19816597 DYOROSAGHQNCSG-JTQLQIEISA-N 354.366 2.063 0 40 FEAB COc1cc2ncnc(N[C@@H]3CCN(C4CCOCC4)C3)c2cc1OC 1889119510 CRHWRYFNKHYBGJ-CYBMUJFWSA-N 358.442 2.312 0 40 FEAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCCCC1 4327517 LPLCHLILDCTRFN-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NCc1ccncc1 9827935 WIVMAUXXPRKOTL-UHFFFAOYSA-N 350.378 2.416 0 40 FEAB O=C(Cc1ccccc1)Nc1nnc(CS(=O)(=O)c2ccccc2)o1 10691343 MRKGZCOTRBXJGP-UHFFFAOYSA-N 357.391 2.225 0 40 FEAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccsc1 40120910 JMAJYKGFPXMXJY-OAHLLOKOSA-N 358.529 2.215 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1[C@@H](c2cn(C)nc2C)n2ncnc2N[C@@H]1C 36621302 SGRFVIXPKCOOOH-KBRIMQKVSA-N 365.441 2.287 0 40 FEAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)s1 31816181 GYOWIQOTQIQDDL-NSHDSACASA-N 350.831 2.487 0 40 FEAB Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1-c1ncn[nH]1 8075255 XSCHWDGJKOXTFK-UHFFFAOYSA-N 372.458 2.289 0 40 FEAB Cc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2C)cc1 11730454 FBHURRHTAIHMIN-UHFFFAOYSA-N 357.391 2.415 0 40 FEAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)n1CC(F)(F)F 6436176 FKUJCMJHSNAPFF-UHFFFAOYSA-N 373.331 2.049 0 40 FEAB COc1ccc(OCC(=O)Nc2nn3c(-c4ccco4)nnc3s2)cc1 6818233 KFFAKCRHZMKIBQ-UHFFFAOYSA-N 371.378 2.472 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 102302871 GECNLXINWPLKOX-TXEJJXNPSA-N 362.455 2.331 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)nc3)CC2)c(C)c1 32895481 VHWLIASILIHCOV-UHFFFAOYSA-N 373.478 2.154 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)Cn1cc(Cl)cn1 100143096 ZMUAXVBAGREXDQ-JSGCOSHPSA-N 356.817 2.176 0 40 FEAB COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 9828092 SYMNJFJHNBQSFV-UHFFFAOYSA-N 356.378 2.177 0 40 FEAB COc1ccc2c(CC(=O)N3CCN(CCN4CCCC4)CC3)coc2c1 22801520 BTOBYGYDXLXQCX-UHFFFAOYSA-N 371.481 2.224 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CC=C(c2ccccc2)CC1 102898750 SWOQOKVTDFTGKZ-ROUUACIJSA-N 350.418 2.254 0 40 FEAB COc1ccc(CCNC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1OC 100260460 BDEHODMHARKRHU-PMACEKPBSA-N 361.438 2.484 0 40 FEAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NOCc1ccccc1 77688021 WTOJOYHBRCGIEQ-QGZVFWFLSA-N 355.373 2.152 0 40 FEAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47667616 SABHMYMPMCEPKW-CQSZACIVSA-N 359.376 2.367 0 40 FEAB COCc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1 47927011 AJNQHHCFDZRGHE-UHFFFAOYSA-N 352.398 2.439 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOc3c(C)cc(C)cc32)cc1 58209726 IMUDZICOHCKGOG-QGZVFWFLSA-N 374.462 2.465 0 40 FEAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)c2c(C)nn(C)c2n1 27989069 HVBYNEFZRWNOSV-UHFFFAOYSA-N 356.455 2.282 0 40 FEAB COc1ccc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)cc1 28286861 LTTQOQFPTAVRNG-UHFFFAOYSA-N 359.426 2.191 0 40 FEAB CCN(CC(=O)NC1CCC(N2C(=O)CCC2=O)CC1)c1ccccc1 89960958 KKIFTXDDRKULNX-UHFFFAOYSA-N 357.454 2.089 0 40 FEAB COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)c1OC 3586499 ALONRGSZRISMDD-UHFFFAOYSA-N 371.437 2.162 0 40 FEAB Cc1cc(C(=O)N(C)Cc2ccco2)cc(S(=O)(=O)N(C)C)c1C 17790832 YTSYEADYDBNVKL-UHFFFAOYSA-N 350.440 2.419 0 40 FEAB O=C(C1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCCCCC1 8328786 LHDPTBCRHIOPLB-UHFFFAOYSA-N 374.510 2.371 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CC(C)C)C(=O)[C@]31C 4061923 BSNVUIHOPNYGMA-FQEVSTJZSA-N 355.438 2.275 0 40 FEAB biogenic C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)NC(N)=O 4601923 COLVZVMERMJMRI-NSHDSACASA-N 355.394 2.244 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 6789107 FNFDTEZKZIOWPI-UHFFFAOYSA-N 374.462 2.320 0 40 FEAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)N(C)C 6981027 ZFKMIWGPSGKPSV-ZDUSSCGKSA-N 368.462 2.409 0 40 FEAB COCCNC(=O)c1c(NC(=O)c2csnn2)sc2c1CCCC2 9250827 LVQJKAUNMSYLRT-UHFFFAOYSA-N 366.468 2.107 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 7248121 CKEXODNHUFQDDO-HNNXBMFYSA-N 361.419 2.350 0 40 FEAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024593 IFSJXCYDBHORNJ-KZDUYQQSSA-N 373.428 2.001 0 40 FEAB CC1(C)CC(NC(=O)CCn2cnc3ccccc3c2=O)CC(C)(C)N1 8991562 HSBZOUNMUMLCBJ-UHFFFAOYSA-N 356.470 2.212 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(F)c1 8983543 ZTVVHSUHYAHKQC-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB COc1ccc(CNc2nc(-c3cccs3)nn2S(C)(=O)=O)cc1 9667648 BHKUNBDUQYECMS-UHFFFAOYSA-N 364.452 2.435 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2cccc(C(=O)O)c2)C1=O 9460918 YFCXCCTXUPQDKU-BUHFOSPRSA-N 359.382 2.339 0 40 FEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 78820706 QSOBLMLOKJQYDS-ZUZCIYMTSA-N 367.373 2.377 0 40 FEAB Cc1c(NC(=O)N2CCC[C@@H]2C(C)(C)O)c(=O)n(-c2ccccc2)n1C 95454848 BOCWHXNFQJRWMS-OAHLLOKOSA-N 358.442 2.252 0 40 FEAB CN1C(=O)C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 89374737 RHRNQVYZSGDCCS-DYESRHJHSA-N 368.408 2.391 0 40 FEAB CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 502331396 FMIPIPGWKROUKG-QAPCUYQASA-N 353.426 2.163 0 40 FEAB Cc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C)c2ccccc2n1 548932596 BEXSHTNATDFNEK-ZDUSSCGKSA-N 350.426 2.040 0 40 FEAB O=S(=O)(c1cnc2ccsc2c1)N1CC2(CCC2)[C@H]2COC[C@@H]21 514848789 PQDWAMNQUKIVGG-JSGCOSHPSA-N 350.465 2.486 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O 409237273 JEJNHCANAZOBRV-XNTDXEJSSA-N 369.352 2.366 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1ccco1 524730552 NCUFQCJMAUHOGC-VPWXQRGCSA-N 354.406 2.438 0 40 FEAB biogenic CCOC(=O)C1=C(CSc2ncccn2)NC(=O)N[C@@H]1c1ccccc1 39582940 FIMGIZDQFANTEN-OAHLLOKOSA-N 370.434 2.440 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 72220559 HZDQUTUKAXLPKN-INIZCTEOSA-N 370.405 2.403 0 40 FEAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCc1ccccn1 79487131 WYHFKSGAYCOKBQ-UHFFFAOYSA-N 368.824 2.318 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)C(=O)CC3)c1 36708224 YTBOQFHFFMAQEU-UHFFFAOYSA-N 374.418 2.205 0 40 FEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 40979386 HEKKWIJRUQUWCN-INIZCTEOSA-N 373.413 2.323 0 40 FEAB biogenic CN1CC(=O)N(CCCC(=O)NCCc2ccc(C(F)(F)F)cc2)C1=O 48332060 IVNZVFPOOYPIBB-UHFFFAOYSA-N 371.359 2.038 0 40 FEAB O=C(NCc1ccccc1F)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223341370 BHRPRYDJSWJHER-INIZCTEOSA-N 370.380 2.362 0 40 FEAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(C/C=C/c2ccccc2)CC1 225510629 DFPKCWDPUPVIAO-WEBJUUICSA-N 350.466 2.372 0 40 FEAB CN1CCN(c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 224252841 CTVMJKKDBDMADI-UHFFFAOYSA-N 365.359 2.500 0 40 FEAB O=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 96160952 UCNLOEGHCJEWDN-VQIMIIECSA-N 357.410 2.298 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)n1 96048642 AQDXTPNODTVGEZ-NRFANRHFSA-N 364.449 2.440 0 40 FEAB Cc1ccc(N2CC[C@H]3C(=O)N(C)C[C@H](COCC4CC4)[C@H]3CC2)nn1 96041112 IPTATORAOOUVPI-KZNAEPCWSA-N 358.486 2.132 0 40 FEAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CO1 96105942 IQUQUBNNAPGKIS-HNNXBMFYSA-N 352.500 2.224 0 40 FEAB O=C([C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 96241645 XCIZIJMHJMASBK-HKUYNNGSSA-N 370.493 2.155 0 40 FEAB CO[C@H](CS(=O)(=O)N1CCN(C)c2ccncc21)c1ccc(F)cc1 528342810 RUPIEMLPVZVVBW-QGZVFWFLSA-N 365.430 2.194 0 40 FEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)c1cnccn1 585083893 UPZWWKPAZMBMCL-UHFFFAOYSA-N 362.455 2.138 0 40 FEAB Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257287230 PPCQQQDCHLBSCP-QWFCFKBJSA-N 367.453 2.154 0 40 FEAB O=C(CN1Cc2ccccc2C1=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653330638 IFLHQJPIBLEZSF-DLBZAZTESA-N 350.374 2.072 0 40 FEAB CCn1cc([C@@H]2OCCC[C@H]2CN2CCC(c3nncn3C)CC2)cn1 667530423 YVBJMKZJLZJQMI-FUHWJXTLSA-N 358.490 2.379 0 40 FEAB C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cnn(-c2ccccc2)c1 676860511 GXPWLMROJCNCQL-INIZCTEOSA-N 371.462 2.444 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(c2nc3ccccc3nc2C)C1 1775957020 VCDCLGMOHABDPG-CJNGLKHVSA-N 350.426 2.442 0 40 FEAB CCN1CC2(CCN(Cc3csc(COC)n3)CC2)[C@H]2COC[C@H]21 1615555052 ZVKCACGHTUIQPN-JKSUJKDBSA-N 351.516 2.222 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc(OC)c(Cl)c1)[C@@H]2C 585097837 ROVMVBBESLHWMZ-SNVBAGLBSA-N 350.806 2.304 0 40 FEAB O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccc(F)cn2)C1 585270165 HLZKPUGKTULXSD-IBGZPJMESA-N 363.408 2.300 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCOC[C@](O)(COc2ccccc2)C1 585270771 ANBXKUSHKCIYJQ-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 680940218 PZVSSXTZRNLQKF-BFYDXBDKSA-N 370.501 2.168 0 40 FEAB CC[C@@H]1CN(C(=O)Nc2cccnc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594984 MURUGQYGUYWGSU-FVQBIDKESA-N 368.428 2.273 0 40 FEAB COC(=O)c1ccc2c(=O)n(C3CC3)c(=O)n(Cc3ccc(F)cc3)c2c1 1775968361 CRGRBQWDBLTPQL-UHFFFAOYSA-N 368.364 2.472 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O 12146689 PCXRQLOEXQUSQH-UHFFFAOYSA-N 368.437 2.171 0 40 FEAB C[C@@H](CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)n1cncn1 12220654 JXIAZLRAOAYETN-ZDUSSCGKSA-N 367.413 2.080 0 40 FEAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 14257843 NCXMUHNZNSHSKG-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ccnc2ncnn12 19566888 VXANLRCKEIAIAZ-GFCCVEGCSA-N 353.382 2.119 0 40 FEAB Cc1nnnn1-c1cccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 19662370 KYKOGLDYCCMBKO-GOSISDBHSA-N 368.416 2.143 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc(CN(C)C)n[nH]2)c1OC 19708917 KFMUBNLRFLSBAG-MRXNPFEDSA-N 358.442 2.466 0 40 FEAB C[C@@]1(C(=O)NC2CCCC2)CCCN(C(=O)Cn2nnc3ccccc32)C1 19746694 SFESWGKSQJUTON-HXUWFJFHSA-N 369.469 2.119 0 40 FEAB COCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc2[nH]c(C)nc2c1 19749050 KRDSHWNHNKMZTI-OAHLLOKOSA-N 358.442 2.019 0 40 FEAB COc1ccc(N[C@H]2CC(=O)N(c3ccccc3OC)C2=O)c(OC)c1 101275849 BEOJILACGFZFGI-AWEZNQCLSA-N 356.378 2.456 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)N[C@H]2CCCC[C@@H]2C)c3=O)cc1 12233744 OWELIXUELXKIQB-HOCLYGCPSA-N 367.453 2.407 0 40 FEAB CN(C)C[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1ccc(Cl)cc1 555229034 CHAQMEIUXJRDNQ-CQSZACIVSA-N 359.817 2.121 0 40 FEAB O=C(COc1ccccc1)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888869429 MKARNACBSWREFZ-IAGOWNOFSA-N 364.449 2.328 0 40 FEAB O=C([C@@H]1CN(c2nc3c(Cl)cccc3s2)CCO1)N1CCOCC1 1889139084 ZQFLDRUXKGQBPB-LBPRGKRZSA-N 367.858 2.014 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2CCCN(C(C)=O)CC2)c(OC)c1 14200960 VVTAFDKWCQUACT-MJICGBHWSA-N 362.470 2.022 0 40 FEAB O=C(/C=C/c1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 29086158 CTJKZYLLGJJRCD-MDZDMXLPSA-N 364.854 2.448 0 40 FEAB Cn1nc(-c2ccccc2)cc1C(=O)NCCn1ccc(-c2cnccn2)n1 253473555 WJHNEFGNSXTKRY-UHFFFAOYSA-N 373.420 2.171 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565542690 VUQGVWOTTGYTEV-APWZRJJASA-N 356.447 2.215 0 40 FEAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 4941279 SDPYCRRLGWUGME-OAHLLOKOSA-N 366.845 2.148 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 8961771 ILGKWSSXBCVFKI-UHFFFAOYSA-N 352.799 2.263 0 40 FEAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)C(=O)Nc1ccccc1F 9708583 XWSRLDZRDXPHMR-UHFFFAOYSA-N 353.353 2.238 0 40 FEAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 44226559 QNHHXPJYDBRFJL-UHFFFAOYSA-N 371.315 2.465 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 218959612 MLHQMWXUJMTAGU-UHFFFAOYSA-N 371.389 2.418 0 40 FEAB COC(=O)c1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)cc1 40069790 KNFZUEHKDCXRQN-BLLLJJGKSA-N 352.390 2.481 0 40 FEAB CC(C)(CNC(=O)COc1ccccc1C(F)(F)F)N1CCOCC1 40057409 USVPKFOEQNJARJ-UHFFFAOYSA-N 360.376 2.311 0 40 FEAB COc1ccc(NC(=O)COC2CCCCC2)cc1S(=O)(=O)N(C)C 40141345 QPMOXNZCPSPUSC-UHFFFAOYSA-N 370.471 2.233 0 40 FEAB O=C(NCCN1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1F 20494719 NASINIVHNATHIB-UHFFFAOYSA-N 373.403 2.153 0 40 FEAB CC(=O)N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 101113825 ZSQBICRVUYGMMH-QBBMROGASA-N 369.303 2.411 0 40 FEAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1F 32198760 HYOWWQATOOBPBK-ZDUSSCGKSA-N 364.442 2.408 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 6462637 OSNTYKUCESADCD-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7681369 JNEIORVHWJIUSI-LBPRGKRZSA-N 355.346 2.211 0 40 FEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2nccs2)C1=O 32666264 AYJYVMAXYDKZEF-QGZVFWFLSA-N 358.423 2.025 0 40 FEAB Cc1ccn2c(=O)cc(CSc3nc4nc(C)cc(C)n4n3)nc2c1 8621691 DDKJKYOHYPOSJN-UHFFFAOYSA-N 352.423 2.350 0 40 FEAB O=C1[C@H]2[C@H](C(=O)N1c1ccn(Cc3cccc(Cl)c3)n1)[C@H]1CC[C@H]2O1 102609900 UXDJWMJAFYTNPD-RRCSTGOVSA-N 357.797 2.252 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)CCc3ccco3)ccc21 9583901 RSBRMSKKGYTUET-CYBMUJFWSA-N 362.451 2.488 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)c(F)c1F 102968270 POZPKYAPUVEODF-AOOOYVTPSA-N 352.312 2.384 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(CC)[C@]1(C)Oc1c(OC)cccc12 100030030 YGMHFWZWPBFLNT-OGHNNQOOSA-N 350.440 2.234 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2O)c1 22549588 WOTJIBRFPINJPN-UHFFFAOYSA-N 364.287 2.249 0 40 FEAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 107738721 GDCUUKRFJQTSOK-MAUKXSAKSA-N 352.500 2.336 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)Nc3nc(C)cs3)cc12 12321331 KFLKNPHKURMWRF-UHFFFAOYSA-N 374.422 2.319 0 40 FEAB CCOC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 958467 FGTJOMHNPCUEHA-UHFFFAOYSA-N 352.412 2.142 0 40 FEAB COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 42647083 XUCLTCZEVRDEFV-WBVHZDCISA-N 358.438 2.210 0 40 FEAB COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 23731335 GRXGNSGQDPQWML-UHFFFAOYSA-N 366.343 2.466 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 1222275 ZSLTXYGIPSSHPJ-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccnn2C(C)C)cc1 22288785 SMSYQKZKYSJNTC-UHFFFAOYSA-N 350.444 2.032 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2OC)OCO3)C1=O 409107687 TXCVJGSXBXJIOF-PGSWQMMVSA-N 365.363 2.022 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 58185262 JTRYRJKGMQVNJJ-UHFFFAOYSA-N 359.407 2.170 0 40 FEAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1CCCO1 58192667 LJSPPZIENVKAFN-HOTGVXAUSA-N 372.387 2.374 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cn2)CC1 12613391 PDZKPJSEESNVFM-UHFFFAOYSA-N 364.405 2.192 0 40 FEAB C[C@H](CNC(=O)CSc1nc(N)cc(N)n1)c1nc2ccccc2s1 58208804 DRXVIAKVIAYXLI-SECBINFHSA-N 374.495 2.263 0 40 FEAB O=C(CN1CCC(c2nnc3n2CCC3)CC1)NCc1cccc(Cl)c1 58277572 UQMPJIZXDQITHO-UHFFFAOYSA-N 373.888 2.374 0 40 FEAB COc1c(Br)cc(Cl)cc1NCC(=O)N1CCNC1=O 10944884 CALYDHOHXXTNMZ-UHFFFAOYSA-N 362.611 2.075 0 40 FEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NC[C@H](c1ccco1)N1CCCC1 12974475 WCWCOAFGXMEQGC-QAPCUYQASA-N 369.421 2.323 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCc1ccccc1)C2=O 13061854 GBYCIIGTLBMCSR-QRWLVFNGSA-N 357.454 2.236 0 40 FEAB COc1ccc(CN2CCC(CNC(=O)N(CCO)C3CC3)CC2)cc1 63407242 JXASFISOEBFEKA-UHFFFAOYSA-N 361.486 2.074 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)O 28358732 XIBPGXXACHCKQG-GSDQYQHOSA-N 361.394 2.484 0 40 FEAB Cc1cnc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cn1 6053880 KMJVHWQELBWBAG-UHFFFAOYSA-N 363.215 2.224 0 40 FEAB Cc1nnc(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1C1CC1 8249000 YBFHCIXNXIHHPN-CQSZACIVSA-N 374.466 2.312 0 40 FEAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3nnc4ccccc43)c2)c1 14190646 HNABAFQMIFQJQD-UHFFFAOYSA-N 361.361 2.213 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCCn1c(C)csc1=O 14112434 QDBHTCVTSAXWCV-UHFFFAOYSA-N 363.468 2.303 0 40 FEAB CCOc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(C)(=O)=O 6554624 ICFKJYWFCAMOHS-RRFJBIMHSA-N 366.483 2.156 0 40 FEAB COc1ccc(NC(=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1 4694442 MPFKTEGFBZPVNR-UHFFFAOYSA-N 360.366 2.298 0 40 FEAB Cc1c(C)n(CCN2CCOCC2)c2ncn(Cc3ccccc3)c(=N)c12 6719525 UCOXEZCEAUCFSG-UHFFFAOYSA-N 365.481 2.315 0 40 FEAB Cc1ccccc1CN1CCN(S(=O)(=O)c2cccc3nonc23)CC1 17076284 QXCBVIBCIHJGQE-UHFFFAOYSA-N 372.450 2.038 0 40 FEAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(N2CCCCC2)cc1 15587564 VBYQESZTNWDYIO-UHFFFAOYSA-N 355.394 2.161 0 40 FEAB COc1ccccc1CN(C)C(=O)CCN1C(=O)c2ccccc2C1=O 18076223 HAKDJKMQYBBEQD-UHFFFAOYSA-N 352.390 2.340 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1 8708212 WDNVKHWXONTXPJ-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 18249990 NEKVNPTYJSACMM-KRWDZBQOSA-N 366.465 2.388 0 40 FEAB Cc1ccsc1S(=O)(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 72158830 ZKBRVWQDVPGVLU-AWEZNQCLSA-N 364.492 2.409 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCCSc1ccccc1 9154253 HQTGRVXEJCCQMM-UHFFFAOYSA-N 370.482 2.164 0 40 FEAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1 9216747 KHECZQMOWCZCTH-SFHVURJKSA-N 350.334 2.223 0 40 FEAB Cc1ccc(OCC(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cc1 306137611 RBIKGDPYRGCUEV-QXAKKESOSA-N 367.449 2.354 0 40 FEAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(-n2cnnn2)c1 9498131 KTJMJFQTMGATLG-UHFFFAOYSA-N 369.406 2.164 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2cccnc2N2CCOCC2)cc1C 84180632 VMDNKWOKWWNENH-UHFFFAOYSA-N 369.421 2.331 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@H](C)O[C@@H](C)C1 28654894 YEGGAIALAMTOAD-MKBNYLNASA-N 354.397 2.355 0 40 FEAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4cccs4)C[C@@H]23)n1 306130951 JTGPVUOQSRBCCX-KKUMJFAQSA-N 359.451 2.403 0 40 FEAB O=C1NC(=O)C2(CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)N1 84398137 HBNKOLLHJJXXHV-UHFFFAOYSA-N 359.401 2.085 0 40 FEAB CN(C)CCOCCNC(=O)c1ccccc1NC(=O)c1cccs1 95465030 VYBPVSZPLIWUSI-UHFFFAOYSA-N 361.467 2.308 0 40 FEAB Cn1c(=O)oc2c(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cccc21 89661859 QDLQOJZHVPXRHR-NSHDSACASA-N 361.398 2.327 0 40 FEAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 64219193 GOCNEQGFDAXBQE-GFCCVEGCSA-N 368.389 2.114 0 40 FEAB COCCN1CC[C@@]2(CN(C3CCC3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134266 NHGWILRXXQRKOW-PXNSSMCTSA-N 360.502 2.281 0 40 FEAB Cc1cc(-c2nnn(CC3=NS(=O)(=O)c4ccccc4N3)n2)ccc1F 79309275 FEUMGEFMQMJTKE-UHFFFAOYSA-N 372.385 2.001 0 40 FEAB CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCOCC4)c3)cc2[nH]1 549370559 WJVCHAWUPWFPKU-UHFFFAOYSA-N 366.425 2.113 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 31164057 LSLKZVJTUSJMBE-UHFFFAOYSA-N 361.401 2.126 0 40 FEAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1c[nH]nc1Cl 1561738096 KRFMJQZKKKZKRW-ZDUSSCGKSA-N 351.815 2.228 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 46561568 KGXREKFRMULXNO-CQSZACIVSA-N 350.846 2.218 0 40 FEAB O=c1[nH]c(N2CCOCC2)nc2nccc(/C=C/c3ccc(F)cc3)c12 40388499 LSUKTXFAFOMGAN-DAFODLJHSA-N 352.369 2.464 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NC[C@@H](C)c2ccccc2)ccc1OC 224221336 HSJBUHDGYLMHPI-CYBMUJFWSA-N 362.451 2.137 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 225806260 BSLWTOVMPRNIEW-GFCCVEGCSA-N 356.407 2.388 0 40 FEAB Fc1ccccc1CN1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96218713 YVARSGDVHJJIBI-KRWDZBQOSA-N 358.417 2.026 0 40 FEAB C1CCN(CCN2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)C1 96254127 ROMMBWUIISHPMU-UHFFFAOYSA-N 356.518 2.105 0 40 FEAB c1ccc(CN2Cc3cncn3C[C@H](COCC3CCOCC3)C2)nc1 96217290 GNKUTRZDVBSYBX-GOSISDBHSA-N 356.470 2.353 0 40 FEAB CN(C)c1ccc(N[C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cn1 583624094 TULVQEMYQLCMJQ-RDJZCZTQSA-N 361.490 2.303 0 40 FEAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1F 257241155 HWUYAJIAOQJJQX-IBGZPJMESA-N 358.417 2.028 0 40 FEAB CNc1nccnc1[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257260491 LDCXMHCHDWAFLV-QGZVFWFLSA-N 352.438 2.150 0 40 FEAB NCc1cn(-c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cn1 257205719 BAIQGYNLWAVHLB-UHFFFAOYSA-N 361.449 2.293 0 40 FEAB CN1CCN(C(=O)c2cncnc2)C[C@@H](Cc2cccc3cccnc23)C1 257256811 KNABAFVJTSILPN-INIZCTEOSA-N 361.449 2.271 0 40 FEAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)CCn3ccnc3)CC2)cn1 257343827 ZUPBGZSSZUKCME-MRXNPFEDSA-N 356.474 2.001 0 40 FEAB C[C@H](NC(=O)c1cc(F)ccc1N1CCOCC1)c1noc(C(F)F)n1 644774597 QYWCELKNLJDHHE-VIFPVBQESA-N 370.331 2.474 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3cccs3)cc2C1 656860356 FAUVLXHJHLPMBL-UHFFFAOYSA-N 356.494 2.193 0 40 FEAB COCc1nc(OC)cc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 684656652 LQHSOHHLDFBLBL-CQSZACIVSA-N 356.426 2.121 0 40 FEAB COc1ccc2c(c1)[C@@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)CCC2 655596130 BAJOYTUAKWYSRE-FUHWJXTLSA-N 354.406 2.322 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1nc(C2CC2)ccc1=O 575609649 YXZLNDRAUPVHBF-UHFFFAOYSA-N 365.355 2.498 0 40 FEAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](CC(=O)O)C2)c1 583801761 MXQZTSLIYYNAFG-OLZOCXBDSA-N 363.414 2.379 0 40 FEAB CCCCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096528 RPPBOOPXMDEHDJ-AWEZNQCLSA-N 355.442 2.302 0 40 FEAB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C3)n1 685943513 XRUVIMLTMFTZLE-XPTSAGLGSA-N 355.320 2.314 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(I)cc1 49452389 BZVLZHWVXDHQQT-NXEZZACHSA-N 374.222 2.324 0 40 FEAB CCn1c(SCC(=O)Nc2nnc([C@H]3CCCO3)o2)nnc1C1CC1 58323397 KJAWRKXURIKJKH-SNVBAGLBSA-N 364.431 2.141 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(Br)c1 40691029 IAJWWZSSNJDUDT-UHFFFAOYSA-N 357.229 2.257 0 40 FEAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](C)C(=O)O 2287578 QVZGIXXEDINKGE-WIOAZZGGSA-N 368.389 2.055 0 40 FEAB Cc1nnc2sc(SCC(=O)Nc3ccccc3Cl)nn2c1=O 5143809 RQXWWMGBVZCEIU-UHFFFAOYSA-N 367.843 2.239 0 40 FEAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 5053861 SVODXASRTNDFIO-YRPNKDGESA-N 373.412 2.463 0 40 FEAB CCc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3occc3n12 12115472 KPGONCYAXIXWOI-LBPRGKRZSA-N 365.393 2.077 0 40 FEAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)CCc4ccno4)C3)nc12 12276422 PPWHTINJVWPIPI-ZDUSSCGKSA-N 369.425 2.242 0 40 FEAB Cc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12 12731600 YUOKOQJLDMBNNH-UHFFFAOYSA-N 372.388 2.451 0 40 FEAB CC(C)C(NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)C(C)C 14397639 SHGODZXLHMMSCD-UHFFFAOYSA-N 370.515 2.254 0 40 FEAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011597 UBIUNPJWGUYJTE-CQSZACIVSA-N 367.858 2.386 0 40 FEAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)c1 17073972 XLHSIAZYPMTQSO-BODMPHMZSA-N 358.438 2.091 0 40 FEAB O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 19015089 NMYFSQNGTJNFAC-OUAUKWLOSA-N 358.389 2.418 0 40 FEAB CN1CCN(N2CN(Cc3ccco3)c3nc4ccccc4n3C2)CC1 19172391 SWCJRAJNDUNCOX-UHFFFAOYSA-N 352.442 2.029 0 40 FEAB Cc1c(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)cnn1C 19553377 JTKUWGGUBPXEGH-WBVHZDCISA-N 362.437 2.247 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)nc(O)c2C1 19590274 JCJUNQOFBBQPIJ-ZDUSSCGKSA-N 370.428 2.329 0 40 FEAB CC[C@@H](CN1CCCC1)n1cncc1-c1cnc(N2CCOCC2)nc1 19719361 QVMIPXMIURDQND-KRWDZBQOSA-N 356.474 2.224 0 40 FEAB O=C(Nc1cccs1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603213 JZCALFBAYJVXBL-UHFFFAOYSA-N 359.455 2.271 0 40 FEAB NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3422075 ZVDAAZYRBLZSSD-AWEZNQCLSA-N 356.806 2.374 0 40 FEAB c1nc(C2CCOCC2)cc(N2CCN(c3cc(C4CC4)ncn3)CC2)n1 2087131085 NXCLOZODSPGRGO-UHFFFAOYSA-N 366.469 2.365 0 40 FEAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1565522054 AVUIBBCSUKDIFQ-HNNXBMFYSA-N 358.891 2.214 0 40 FEAB Cc1ccc(COc2cn(CC(=O)NC[C@H]3CCCO3)c(C)cc2=O)cc1 12230671 SMOQPIVTESCPKV-GOSISDBHSA-N 370.449 2.339 0 40 FEAB O=C([C@H]1CN(c2nccc3occc23)CCO1)N1CCC(F)(F)CC1 2086884725 OVZNLWLGWAFLED-CQSZACIVSA-N 351.353 2.291 0 40 FEAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncn2)C1 575613729 SNRPHNJJMIOXBX-OAHLLOKOSA-N 355.419 2.472 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3ncnc4ccsc34)CC2)n1 2298076112 ZQMZPKJJNUOXTQ-UHFFFAOYSA-N 354.439 2.391 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)c3cccnc3-n3cncn3)cn2)n1 40088983 BWXLRQXUEMNYPN-UHFFFAOYSA-N 360.381 2.112 0 40 FEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1-n1cccn1 40141061 GCSIOXVVTLTLHH-UHFFFAOYSA-N 369.450 2.413 0 40 FEAB Cc1[nH]c(C(=O)NCC(C)(C)N2CCOCC2)c(C)c1C(=O)OC(C)C 45527275 ZXFKEQZAVDAIOH-UHFFFAOYSA-N 365.474 2.037 0 40 FEAB Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1C 20897271 SLCHKAFGCQARQB-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB CCOc1ncccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 32853763 KZLPZHRSKDCIHA-MRXNPFEDSA-N 359.426 2.185 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 52774065 CWEZFFPUYLEAEY-DYVFJYSZSA-N 350.484 2.011 0 40 FEAB O=C(NCCCn1nc2ccccn2c1=O)C1(c2cccc(Cl)c2)CC1 53159498 JXVQSMMFTMRRQW-UHFFFAOYSA-N 370.840 2.388 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108532740 CGBDNIQCBWVXOQ-HNNXBMFYSA-N 371.441 2.347 0 40 FEAB CCC(CC)CN(CC)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 43109109 XTXXYWVFQYCPCW-UHFFFAOYSA-N 365.499 2.400 0 40 FEAB CC(C)NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 12586301 PCJHTRVVGLDSSY-UHFFFAOYSA-N 363.527 2.299 0 40 FEAB Cc1cc(-n2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2)ccc1F 67261976 VVQJBVJXCVLCCN-UHFFFAOYSA-N 354.341 2.374 0 40 FEAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H](C)S(C)(=O)=O)CC3)c2c1 57143188 VEPOGNHHJFPDEU-LBPRGKRZSA-N 362.451 2.225 0 40 FEAB COCCCNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1781946 NWZWOPZFHWPOBO-UHFFFAOYSA-N 357.435 2.278 0 40 FEAB C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1N)c1ccccc1 3274711 KWAZJVANQYVMDQ-GFCCVEGCSA-N 354.439 2.023 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNCc2c[nH]nc2-c2cccnc2)ncn1 109069926 KXPQSJNBDVMQDZ-MRXNPFEDSA-N 364.457 2.062 0 40 FEAB C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C[C@H](c2ccccc2)O1 58168323 IFUDQOQONKTFAW-NRSFXHEJSA-N 370.449 2.150 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(C)(C)c1ccccc1F 58193331 ZCEFCFMQCAFCPE-UHFFFAOYSA-N 370.432 2.099 0 40 FEAB Cc1cccc(OCCN(C)C(=O)c2nn(C)c(=O)c3ccccc23)c1 58269965 QVHHVSAPPCGXSP-UHFFFAOYSA-N 351.406 2.393 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 3334934 NTBXLWLTLJSCSW-NRFANRHFSA-N 363.461 2.309 0 40 FEAB CNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2C)c1 24354860 YHGQPZQOZFIJBC-UHFFFAOYSA-N 355.394 2.192 0 40 FEAB Cc1cc(C(=O)OCC(=O)NCc2ccccc2OC(F)(F)F)on1 10983541 MYKLSFIYJWWBRP-UHFFFAOYSA-N 358.272 2.355 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccco2)s1 48265150 YQZCIEHEBGFNKA-UHFFFAOYSA-N 369.410 2.424 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 12815969 PLUPCDMVWFLYAU-UHFFFAOYSA-N 371.418 2.212 0 40 FEAB COC(=O)CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 12912502 HGQPDDWMMAXFJF-UHFFFAOYSA-N 360.370 2.038 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 3595766 HLVMUALABYTKFR-CWTRNNRKSA-N 357.410 2.328 0 40 FEAB O=C(NCCc1cccs1)c1cccc(N2CCCS2(=O)=O)c1 13362923 RPSFHUVJDDZUBS-UHFFFAOYSA-N 350.465 2.261 0 40 FEAB CCOC(=O)C[C@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 4200633 MQZKSABCKINXGX-INIZCTEOSA-N 366.464 2.041 0 40 FEAB CCCNC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C 64987249 DISWNMLATZGBFI-UHFFFAOYSA-N 362.455 2.262 0 40 FEAB CCNC(=O)NC(=O)CSc1nc(C)nc2sc3c(c12)CCC3 6114056 UTZQLXFFHXNUFQ-UHFFFAOYSA-N 350.469 2.426 0 40 FEAB O=C(Cc1n[nH]c2ccccc12)Nc1cccc(N2CCCS2(=O)=O)c1 65100803 ZEMDGJBZJZVPSA-UHFFFAOYSA-N 370.434 2.284 0 40 FEAB COCCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)n[nH]c1=O 14094145 OURHELCXROYXGK-UHFFFAOYSA-N 364.471 2.336 0 40 FEAB CCOC(=O)[C@@](NC(=O)NCCc1ccccc1)(OCC)C(F)(F)F 5326140 QVABRCDLGSQIDV-OAHLLOKOSA-N 362.348 2.387 0 40 FEAB O=C(Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O)N1CCCC1 8643033 MCWVHDASCYJILA-UHFFFAOYSA-N 352.394 2.039 0 40 FEAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 65626231 MMPBKSVTHVHFKN-MRXNPFEDSA-N 352.500 2.066 0 40 FEAB O=c1c(Cl)c(NCc2ccc(F)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 6590221 RNZQXQITLSRGFV-GFCCVEGCSA-N 371.821 2.008 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCCC2)Oc2ccc(Cl)cc21 22525782 LZUHVLODJYLDMY-OAHLLOKOSA-N 372.874 2.316 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc2c1OCCO2 69946748 GHBOPHXTVLPVGL-GFCCVEGCSA-N 359.382 2.178 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 67285920 QZADEVXFMHEQDK-MRXNPFEDSA-N 365.380 2.232 0 40 FEAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)NC1CC1 8779054 MBQVQUQYVDVDNO-MRVPVSSYSA-N 361.452 2.413 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccc(O)c1 71288120 OKCXTLMJZMLQHO-UHFFFAOYSA-N 372.400 2.002 0 40 FEAB Cc1cccc(-n2c(O)nc3nc(NC[C@H]4CCCO4)ncc3c2=O)c1C 67263655 JYEVHWMPRRTBAR-CYBMUJFWSA-N 367.409 2.089 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)no1 96005022 YEHZXHCISXRQMP-CQSZACIVSA-N 364.427 2.421 0 40 FEAB COc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19683165 XQYOLDSMAVTGPR-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 23152102 YAVKAVPRUSJGEX-UHFFFAOYSA-N 356.382 2.218 0 40 FEAB CC(=O)n1c2ccccc2c2nnc(SCCN3CCOCC3)nc21 19797023 PXIYKMVAWFYHNH-UHFFFAOYSA-N 357.439 2.064 0 40 FEAB O=C(OCc1ccccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 72575916 CHZUTIWATFUOPO-INIZCTEOSA-N 364.398 2.117 0 40 FEAB CC[C@H](C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)N(C)C 84718714 GDNNTVSBBRRABV-GOSISDBHSA-N 363.477 2.329 0 40 FEAB O=C1OCC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@@H]12 95443886 CDTBRXKVWYUOED-PRHODGIISA-N 350.223 2.320 0 40 FEAB O=C(NCCOc1ccc(F)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 78547545 JWCGYARHATVFHW-CYBMUJFWSA-N 352.381 2.108 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 79092477 DIZLVJXQBSTYGE-JQWIXIFHSA-N 372.874 2.030 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(CC2(O)CCC(C)CC2)C1 548011106 VZBLVWNSNNENDY-ZTUNLMCQSA-N 351.516 2.430 0 40 FEAB CCc1noc([C@H](C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 32760209 YKHOPCSBYDKXTN-ZDUSSCGKSA-N 364.471 2.136 0 40 FEAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC(C)C)c1 408709154 PDALHOIZVLIMNJ-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB O=S(=O)(N1CCCC1)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72377818 YVAROVWBGRTEPJ-OAHLLOKOSA-N 374.470 2.093 0 40 FEAB CCn1nc(C)c(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)c1C 36614701 FZPJMUCBNDQJOK-UHFFFAOYSA-N 359.883 2.210 0 40 FEAB C[C@H](N[C@H](C)c1cc2c(cc1Br)OCCO2)c1nnnn1C 189833767 YAIJQJXHGSLTPF-BDAKNGLRSA-N 368.235 2.156 0 40 FEAB COC[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccco1 553761865 OVBSUKACJZKBTD-SECBINFHSA-N 350.318 2.359 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nnc([C@H]4CCCCN4)n3CC2)cc1C 72372841 SKDXWQURXBPUMX-GOSISDBHSA-N 367.497 2.337 0 40 FEAB NCC1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218391761 GURRKONCLLDPSU-HOTGVXAUSA-N 350.871 2.184 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35349308 RVQBBAGREXBPOQ-KUHUBIRLSA-N 351.450 2.407 0 40 FEAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)c1 72374039 SVTQJMBHWFJKPF-QGZVFWFLSA-N 369.469 2.028 0 40 FEAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)[C@@H]4CC=CCC4)C3)n2)c1 75156499 BTQALEMBRJGAOF-CYBMUJFWSA-N 366.421 2.378 0 40 FEAB CCn1c(=O)n(C[C@H](O)COc2cccc(C(C)=O)c2)c2ccccc21 44348847 AKUUIMOAPFANDG-INIZCTEOSA-N 354.406 2.465 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)CC2)C(=O)O 226861354 AORIJEBEWNQRLS-AWEZNQCLSA-N 365.476 2.423 0 40 FEAB CSCC[C@@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cccc1 575443247 HNSMHGOHFXEVKW-NSHDSACASA-N 373.404 2.435 0 40 FEAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1CC 223671638 CYZNAYARGAIUGV-SJORKVTESA-N 358.467 2.439 0 40 FEAB Cc1cccc(CCN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1 572637024 LPTLNTQCHVJFSC-HDICACEKSA-N 358.530 2.055 0 40 FEAB COc1ccc(N(CCCC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225227007 DTFAFQPJDYQWPD-AWEZNQCLSA-N 356.488 2.402 0 40 FEAB O=C(CN1CCN(c2ccccc2)C1=O)NC[C@H]1Cc2ccccc2CO1 225786214 YXEJPEIQPRDOAZ-LJQANCHMSA-N 365.433 2.186 0 40 FEAB CS(=O)(=O)N1CCC[C@]2(CCC(=O)N2Cc2cccc(F)c2)CC1 96218156 SNBQUMUUNUKUMW-KRWDZBQOSA-N 354.447 2.132 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 96159530 BBWIXXDNPNFMRL-FQEVSTJZSA-N 353.397 2.419 0 40 FEAB Cc1ncsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 580036862 AOMBMTNKBSJGDV-CYBMUJFWSA-N 351.453 2.243 0 40 FEAB O=C(NCc1ccncc1)c1nc2c(o1)CN(C(=O)c1cccc(F)c1)C2 96266041 QIKZXMKNSQAHAC-UHFFFAOYSA-N 366.352 2.295 0 40 FEAB CCOc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 242580515 CHIJSGMVLMZEPY-UHFFFAOYSA-N 352.387 2.141 0 40 FEAB O=C(Cc1cccs1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257234690 GUQYIWPWJFMYCW-FQEVSTJZSA-N 356.491 2.312 0 40 FEAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 257290427 QCXHJKPYKDDMHL-LJQANCHMSA-N 352.438 2.409 0 40 FEAB Cc1nn(C)c2nccc(N3CCN(C(=O)c4cscn4)[C@@H](C)C3)c12 643190971 KQGRHKSJSCBBPA-NSHDSACASA-N 356.455 2.084 0 40 FEAB C[C@@]1(C(F)F)CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 661327588 OKGGUYDFYQORBG-DYVFJYSZSA-N 357.376 2.470 0 40 FEAB O=C(C1CCOCC1)N1CC[C@H](Oc2ccncc2Br)C1 1776001921 SKUDSVQNWGCLFW-LBPRGKRZSA-N 355.232 2.250 0 40 FEAB CC(C)C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 576881311 ZBFJGQIICUOPSS-HNNXBMFYSA-N 374.890 2.146 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H](C)C2 666369522 DTWZPBDEGZXKJM-LGWLGOQQSA-N 350.484 2.493 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3ccc(C)nc3O)C2)cc1 585276198 KWTVUTWIUIUADD-FQEVSTJZSA-N 356.422 2.450 0 40 FEAB COc1ccc(CN(C)[C@H]2[C@H](N)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 585261661 NSKJOHLTRKAAQN-ZRNYENFQSA-N 360.429 2.174 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O 67645858 CMJZPAANCJHAQJ-RBUKOAKNSA-N 366.396 2.469 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)OCc2ccccc2)C1 83749806 KKRRFIHAVBPQQX-HUUCEWRRSA-N 350.415 2.141 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)cc1 1615191124 NWJLSPVKURSHFX-OAQYLSRUSA-N 371.481 2.320 0 40 FEAB CCOc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 5393537 FQOJSLBXORXPIR-PDWMJMLSSA-N 370.449 2.257 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc21 12241719 DPEASHACYDRVEK-KBPBESRZSA-N 360.460 2.434 0 40 FEAB Cc1ncccc1C(=O)N1CCc2nc3scc(C)c3c(=O)n2CC1 12253291 WIVXGNWVVURLQA-UHFFFAOYSA-N 354.435 2.168 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 12999712 YNGSEBGOQLIRER-UHFFFAOYSA-N 351.362 2.188 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19554493 JBVIHUNYCXQMAW-INIZCTEOSA-N 366.465 2.080 0 40 FEAB O=C(C[C@@H]1SC2=NCCN2C1=O)NCC1(c2ccccc2Cl)CC1 19661206 BWLZRRNZCZDZAW-ZDUSSCGKSA-N 363.870 2.192 0 40 FEAB CC(C)C(=O)N1CCO[C@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 19692547 DVELILVNYVIDTF-SFHVURJKSA-N 353.422 2.403 0 40 FEAB N=c1nc(N2CCCC[C@H]2Cc2ccccc2Br)[nH]c(=N)[nH]1 624247974 XMYPLOGDCMVJRN-NSHDSACASA-N 363.263 2.061 0 40 FEAB CC1(C)Cc2cccc(OCCCS(=O)(=O)NC[C@H]3CCCO3)c2O1 12440593 MNEHRYUEEBDDQJ-OAHLLOKOSA-N 369.483 2.267 0 40 FEAB CC[C@H](OC(=O)c1ccc2c(c1)nnn2CC)C(=O)Nc1cc(C)on1 16117012 VIHQYLOQXVCGKI-AWEZNQCLSA-N 357.370 2.322 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@@]12CCN(C(=O)C1(F)CC1)C2 1565551500 OMBOOXAREWFLMV-IBGZPJMESA-N 354.429 2.469 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(F)cc4)[C@H]3C2=O)cc1 4483535 RLFFRZCLUNYEQL-JKSUJKDBSA-N 354.341 2.328 0 40 FEAB CCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CSC2 4941647 WPCQXTGNKFJGQZ-UHFFFAOYSA-N 374.466 2.483 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)NC[C@H]1COC2(CCCCC2)O1 7595497 KQDCCUGDDWVLHW-AWEZNQCLSA-N 355.456 2.358 0 40 FEAB CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661314 PLBZEZSHTKVNTJ-UHFFFAOYSA-N 368.437 2.221 0 40 FEAB Cc1ccccc1-n1ccn(Cc2nc(-c3cccs3)no2)c(=O)c1=O 49407759 VJWWKNKHADOOKN-UHFFFAOYSA-N 366.402 2.467 0 40 FEAB COc1nc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)ncc1Br 2298045053 NZPDSKAURSWFKK-SNVBAGLBSA-N 371.279 2.379 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)[C@H]4CCCC[C@H]4C3=O)o2)cc1OC 102450601 MWXXGCAQZCPRBJ-BETUJISGSA-N 371.393 2.429 0 40 FEAB CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 787184 AZOOMDBPVDCWLE-MRXNPFEDSA-N 354.406 2.424 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)N2CCCC[C@@H]2CC)nc1N 801494 NUFCTGIGIQQSSH-NSHDSACASA-N 352.460 2.119 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)o1 29361401 UHEJUBPVVREZHC-FDMDGMSGSA-N 359.470 2.146 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1 6024050 YNFYWVOZYVRRIE-UHFFFAOYSA-N 360.435 2.453 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 6462619 YSFCCQNMHXPKHT-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2C2CC2)CC1 29737342 DXNGERPFRMUZIJ-UHFFFAOYSA-N 352.438 2.362 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)Cn1c(SC(F)F)nc2ccccc21 32747553 LABNBJYONYBYRU-SNVBAGLBSA-N 370.425 2.382 0 40 FEAB COc1ccc(CN(C)C(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 21736166 SBCPQNRTRPYGGK-UHFFFAOYSA-N 371.389 2.282 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 9752615 UTCBQWUOSZRQIL-RBZYPMLTSA-N 350.415 2.015 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1 58209986 BIRBJGIOGPLLLN-UHFFFAOYSA-N 372.513 2.277 0 40 FEAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1cc(Cl)sc1Cl 60756965 VZYMERQBMJGTAD-UHFFFAOYSA-N 357.284 2.474 0 40 FEAB CN(CCCCNC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccccc1 53212553 MABLHLIFJOQORX-UHFFFAOYSA-N 364.453 2.238 0 40 FEAB COc1ccc(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1F 47253963 XKGSZEUIYIOXBK-UHFFFAOYSA-N 361.417 2.326 0 40 FEAB CS(=O)(=O)CCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 42125906 LAAZEOYQMTYZJC-UHFFFAOYSA-N 350.421 2.331 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2CC[C@@H]3C2)c1 101887878 PAMGBPNCTKIXMJ-POOHYDRCSA-N 368.433 2.131 0 40 FEAB CCOCCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 78725725 RUECZUYEIJLKSF-CYBMUJFWSA-N 360.332 2.233 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 24765848 TXTHEOWZNTUJMP-USCDJENESA-N 368.543 2.379 0 40 FEAB NC(=O)Cn1c(SCc2cn3ccccc3n2)nnc1-c1cccs1 12544630 JBMYNFBVCVRUNJ-UHFFFAOYSA-N 370.463 2.432 0 40 FEAB O=S1(=O)N=C(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 59488048 AMMRDTPEYZUFMU-UHFFFAOYSA-N 372.427 2.267 0 40 FEAB CN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 107544435 SMAUXVQFKWAWNH-IEBWSBKVSA-N 373.403 2.256 0 40 FEAB COc1ccc(CCNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44246749 RAYVVSXPRTZYGT-UHFFFAOYSA-N 352.398 2.344 0 40 FEAB CCCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2147797 VNJVPKGMFBJBJF-HNNXBMFYSA-N 361.394 2.494 0 40 FEAB biogenic COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2O)c(OC)c1 58218275 RTFCWFLNFYZHPX-UHFFFAOYSA-N 358.394 2.476 0 40 FEAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 58315573 KXYXYQGFVYCDPG-JTQLQIEISA-N 374.871 2.027 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC2=CCCCC2)cc1 36393261 LJSNITURTSZNBC-UHFFFAOYSA-N 365.499 2.463 0 40 FEAB Cc1cc(NNC(=S)S)nc(N[C@@H](O)C(Cl)(Cl)Cl)n1 2361640 RZKQKGVKRWQUHL-YFKPBYRVSA-N 362.695 2.017 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2Cc1ccccc1 2395354 DCPLTJZOWASZQU-UHFFFAOYSA-N 353.426 2.216 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)OC 12752029 BTWWNOKEBNNDJO-JOYOIKCWSA-N 359.831 2.042 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 3595768 HLVMUALABYTKFR-BLVKFPJESA-N 357.410 2.328 0 40 FEAB COc1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1 22822005 APGBFAFFDJXDBB-UHFFFAOYSA-N 369.465 2.330 0 40 FEAB CCc1ccc(-n2nc(CO)c(C(=O)NCCc3ccccc3)n2)cc1 8613682 HKDKWXMLUCZQAO-UHFFFAOYSA-N 350.422 2.295 0 40 FEAB O=C(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)N1CCCC1 39976138 OWKQDDRIZCKJID-UHFFFAOYSA-N 370.280 2.374 0 40 FEAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)n1nnc2ccccc2c1=O 5241356 SMFKXPNEGIVTOY-MRXNPFEDSA-N 368.393 2.399 0 40 FEAB Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1 13945992 JGMWCSILQDYGTA-UHFFFAOYSA-N 359.436 2.328 0 40 FEAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1cccnc1N1CCCC1 65478763 CBXHQQSSJQLGMK-AEFFLSMTSA-N 373.501 2.304 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 14482283 AAGHKKYQFTXJMH-UHFFFAOYSA-N 373.434 2.203 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(C)s2)C1=O 14661700 FXBUTAXDJJKZNI-KRWDZBQOSA-N 358.423 2.247 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H]1COc2ccccc2O1 4956596 PUKCACHHYJQLIB-HNNXBMFYSA-N 367.357 2.128 0 40 FEAB COC(=O)c1sc2nc(CN3CCn4cccc4[C@@H]3C)[nH]c(=O)c2c1C 15417304 AQMPWTAKCHKRED-NSHDSACASA-N 372.450 2.458 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408676862 ONUMESGUQVRFRS-UHFFFAOYSA-N 366.414 2.450 0 40 FEAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(O)cc1 9060594 JOBOUVZAFMULHY-SFHVURJKSA-N 373.434 2.461 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 7307269 LLPKXZFTTWHLGB-KRWDZBQOSA-N 374.462 2.426 0 40 FEAB CCCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc2oc(=O)[nH]c2c1 68342885 WJRWWYFQSSSZLY-NSHDSACASA-N 351.428 2.098 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2c(C)cccc2C)c2ccccc2O1 7826694 CRSAKDOMTRDQRC-KRWDZBQOSA-N 354.406 2.222 0 40 FEAB COc1ccc2c(c1)N(C(=O)[C@@H](C)n1nnc(-c3ccccc3)n1)CCO2 81279618 UKHOOQBRXJIKLJ-CYBMUJFWSA-N 365.393 2.335 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccccc1F 9254992 LKUQQHSWTBOZKA-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 28833323 POLOYOVKLMXPGG-IBGZPJMESA-N 363.461 2.384 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccccc2N2CCOCC2)C1 95392577 YKFCBOOOKGUKKU-HOTGVXAUSA-N 360.454 2.185 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)OCC(=O)N2CCC[C@H](C)C2)cs1 95360819 YAGYTGUZHZKKDD-LBPRGKRZSA-N 367.471 2.082 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C 95458979 LUAHBILNTICARG-HNNXBMFYSA-N 367.446 2.247 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c(C)c1 32776488 LWMWQBLHBJVMOL-UHFFFAOYSA-N 371.470 2.142 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408592740 OGAQHBDOXVGNMI-UHFFFAOYSA-N 369.487 2.409 0 40 FEAB CN(C(=O)CCCc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 31611451 QERJMURKGABBAQ-GFCCVEGCSA-N 352.481 2.265 0 40 FEAB C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 527459293 GUMKGBNJAMFEAL-KKXDTOCCSA-N 366.421 2.382 0 40 FEAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CSC2=O)C1 217747440 FWNZYWQNLKBQJU-UHFFFAOYSA-N 369.402 2.394 0 40 FEAB Cn1nnc(-c2cccc(NC(=O)C[C@@H]3CC(=O)Oc4ccccc43)c2)n1 79480386 GHIYJXNSXNKPOA-CYBMUJFWSA-N 363.377 2.299 0 40 FEAB CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCCOCC2)CC1 183500099 AHYJPVJLUPEHLE-FQEVSTJZSA-N 374.529 2.192 0 40 FEAB Cc1ccc(C2(CNC(=O)N3CCOC[C@H]3c3ncnn3C)CC2)c(C)c1 562604135 CZRHGDKKPFLMLV-KRWDZBQOSA-N 369.469 2.247 0 40 FEAB Cc1nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)[nH]c(=O)c1C 44168968 MKGMSQCLBPPOGI-UHFFFAOYSA-N 358.379 2.458 0 40 FEAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 225963415 JJZGUEFPMGFNQN-UHFFFAOYSA-N 363.439 2.156 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)o1 96051268 OWUOVAJAZYCNAB-HXUWFJFHSA-N 356.422 2.222 0 40 FEAB Cc1oc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1C(=O)O 95425177 UNOSREATZMZOBT-UHFFFAOYSA-N 370.405 2.455 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccncc4)C3)C2=O)n1 96048814 IYRNYXJFQFXFAO-NRFANRHFSA-N 364.449 2.440 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247905234 WVDCJMBOAXTXEY-MRXNPFEDSA-N 370.453 2.330 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2ccc3c(c2)CCO3)C1 583617625 PYPIVISZIGMRKY-CVEARBPZSA-N 351.410 2.021 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)s1 248026982 JXSJKGGZKYYWTQ-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB COc1ccc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)cc1 247913296 VFDVESZCUQDAKI-IBGZPJMESA-N 374.481 2.068 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)CCO2)n1 257203888 ASBXJQKKNTWUGR-MRXNPFEDSA-N 356.357 2.325 0 40 FEAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ocnc1C 257255905 KJJDEXVWBZWLQL-RGCFKVTRSA-N 363.458 2.034 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1 257216812 CWEDRBINMQLUNM-IBGZPJMESA-N 356.470 2.246 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)n1 257304456 SLSNTGQMWDFWTQ-OAHLLOKOSA-N 354.414 2.002 0 40 FEAB COCC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257251191 JPTYBXXGTPQEGM-XYPYZODXSA-N 371.363 2.180 0 40 FEAB CC(=O)N[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C2(CCN(C(C)=O)CC2)C1 257316635 VGKHYPWEEIBFSM-IBGZPJMESA-N 368.481 2.259 0 40 FEAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1 260843552 ZPFIJFSHEKKISW-SCLBCKFNSA-N 358.419 2.242 0 40 FEAB COCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 264183671 MNGZCHVNDBNFTH-UHFFFAOYSA-N 355.460 2.019 0 40 FEAB CC(C)NC(=O)Cc1ccc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 608766829 QOYHTQWRPZWJLU-XMTFNYHQSA-N 357.454 2.395 0 40 FEAB CCc1ccccc1CN1CCC2(CC1)Cn1nc(C(=O)NC)cc1CO2 1775962168 WQBYDSAUBPZGJN-UHFFFAOYSA-N 368.481 2.370 0 40 FEAB O=C(NCCn1ccc(-c2ccncc2)n1)Nc1ccc2c(c1)OCO2 96098831 PTTVVFSRZVLLIE-UHFFFAOYSA-N 351.366 2.496 0 40 FEAB COc1ccc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 585112641 URFQXVSOIRGAGL-GOSISDBHSA-N 354.454 2.461 0 40 FEAB CNc1cnc(C(=O)N2CC[C@](COc3ccccc3C)(OC)C2)nc1 585276975 QVRHIMCURFJZFN-IBGZPJMESA-N 356.426 2.137 0 40 FEAB CO[C@H]1CCN(C(=O)CN2CCCCCC2=O)C[C@H]1Cc1ccccc1 585276558 PTGSWUGVPDGSQU-MOPGFXCFSA-N 358.482 2.495 0 40 FEAB FC(F)(F)c1ccc(-n2nnnc2Cn2nnnc2C2CCCC2)cc1 52894147 CBHUCBPUMMFCCE-UHFFFAOYSA-N 364.335 2.374 0 40 FEAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CC2)C1=O 72396669 RJOVHZDWGQWKNR-UHFFFAOYSA-N 368.389 2.293 0 40 FEAB C=CC(=O)N[C@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 685944913 IASUWIFJNIFUEG-GOSISDBHSA-N 354.406 2.477 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)o1 5151580 YKJHSEHIDNWUHM-UHFFFAOYSA-N 369.768 2.430 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)c3[nH]c(C)c(C(C)=O)c3C)nc2s1 5297817 OXBOSQJPQSRZAO-UHFFFAOYSA-N 374.422 2.218 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(Nc3ncnc(N)n3)cc2)cc1 5598753 LPUFKGLFDDGEDM-UHFFFAOYSA-N 372.410 2.007 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 5985511 JENCGTLKHWHARC-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB COc1ccc(CCNC(=O)CCc2c(C)nc3ncnn3c2C)cc1 12751522 UERWVGCOUNWUBF-UHFFFAOYSA-N 353.426 2.041 0 40 FEAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 16638508 IXKDKVKBQFMSRE-UHFFFAOYSA-N 356.488 2.402 0 40 FEAB COc1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 17073538 FIJMPRXDDDDTNH-DJBIQUGXSA-N 355.774 2.174 0 40 FEAB OCCN1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 19369632 YGXJFOXNUSUEHQ-FQEVSTJZSA-N 362.514 2.084 0 40 FEAB Cc1nonc1CN(C)CC(=O)Nc1ncc(Cc2ccccc2)s1 19657912 GIIDQWLQEFJTFO-UHFFFAOYSA-N 357.439 2.496 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 19706486 VDGPNJOSHISFKW-QGZVFWFLSA-N 357.433 2.159 0 40 FEAB CCc1cc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)nc(C(C)(C)C)n1 1888863679 RWWUUUIEFHGXJM-UHFFFAOYSA-N 369.513 2.357 0 40 FEAB Cc1nc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)nc(O)c1F 1888908428 PDBWFQCMJOOYDD-BETUJISGSA-N 366.400 2.146 0 40 FEAB O=C(c1ccnc(C(F)(F)F)c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1614937763 NZFTXTSXTKNVBO-LSDHHAIUSA-N 369.387 2.283 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940780 SRLCUYXZKXWYJU-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864299 YHCIBCNRSIGGBF-GOSISDBHSA-N 371.506 2.360 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)NCCc2ccccc2)cc1 9571421 SDRWEZQMNAGYDY-UHFFFAOYSA-N 366.425 2.103 0 40 FEAB CCNc1cc(NCCNC(=O)Cc2noc3ccccc23)nc(C)n1 38670693 CGIVRUXCBSEDMT-UHFFFAOYSA-N 354.414 2.129 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl 85559524 IIZSBBRCECKVKN-HNNXBMFYSA-N 360.797 2.063 0 40 FEAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40069984 HSGJQTRHRKPOEF-SFHVURJKSA-N 373.428 2.008 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3nnc4ccccn34)n2)cc1 40088959 JUAJRIGUMJCFQZ-UHFFFAOYSA-N 364.365 2.359 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc(F)c(F)c1 31298524 QMLZDEMJQZBALG-HNNXBMFYSA-N 362.332 2.113 0 40 FEAB O=C(CNc1ccccc1F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11127218 NMSKSCUMDHWZDA-HNNXBMFYSA-N 362.426 2.458 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 29071033 BMXPDXYLVKAIIB-GOSISDBHSA-N 362.389 2.270 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(C(C)(C)C)cc2)n(C)c1=O 870600 WILUNPHUPAIMRG-UHFFFAOYSA-N 360.845 2.433 0 40 FEAB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(C)nc1C 8391489 LOGCOBWJWZEZAJ-UHFFFAOYSA-N 369.468 2.271 0 40 FEAB C[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1cccnc1 8346250 YSUMOJCCORHOEG-NRMKIYEFSA-N 359.451 2.239 0 40 FEAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1nccs1 4905497 TWRMLOZFKJHTIG-UHFFFAOYSA-N 355.470 2.464 0 40 FEAB O=C(O)CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 2690481 IGYWJWOQXUWVAG-UHFFFAOYSA-N 366.352 2.249 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 102308456 RDHWXSROALGCRA-PVFTVIPPSA-N 371.393 2.181 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 8012976 ZNEXLIKGYNQPMA-UHFFFAOYSA-N 361.423 2.458 0 40 FEAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2c(c1)OCO2 11999382 CDHBWQSIMBUIIJ-AWEZNQCLSA-N 364.423 2.124 0 40 FEAB Cc1csc(=O)n1CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 29994128 LXCGTRCXBQMFCM-LLVKDONJSA-N 361.423 2.357 0 40 FEAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2748865 JCDZGYMMZBPMLN-UHFFFAOYSA-N 350.400 2.463 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@H]1CC(=O)N(c2ccccc2F)C1 22024433 VLAMMYGAWOFZOH-ZDUSSCGKSA-N 352.369 2.143 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCn1ncc(=O)c2ccccc21 53025200 OFMXYQBRHFHDFC-HUUCEWRRSA-N 371.437 2.119 0 40 FEAB CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 850227 LINLQDZQRPQVBZ-UHFFFAOYSA-N 354.384 2.418 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1 23113850 FJNSSLDSPHIEMX-UHFFFAOYSA-N 358.423 2.323 0 40 FEAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 25227300 WOMWVESBHPORSI-UHFFFAOYSA-N 352.369 2.300 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCCc1ccccc1 58023217 HPSNXOHUHHXMNF-UHFFFAOYSA-N 362.433 2.432 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 24179141 CHXFXZSETCFTLW-UHFFFAOYSA-N 368.433 2.235 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 103588414 JGXCYJCEEBJRSK-LWESKHGOSA-N 371.433 2.419 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCCCc2ccccc21 106565798 HDOKGRXOAWKABP-ILRDRHFLSA-N 350.418 2.163 0 40 FEAB CC(=O)NCCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 55731063 KGQBFFVRYLHNFV-UHFFFAOYSA-N 364.243 2.341 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(COC[C@H]2CCCCO2)c1 56195160 XKVSGSZIYHOCAV-RHSMWYFYSA-N 363.458 2.418 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 48132330 XEEWYOYZJXJASU-OAHLLOKOSA-N 367.413 2.214 0 40 FEAB O=C(Nc1nccs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 3353820 TWAKZIXVOKKQEC-UHFFFAOYSA-N 366.449 2.007 0 40 FEAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(C)c(=O)c2[nH]1 57521534 VIYTWGUNWXBTFF-UHFFFAOYSA-N 372.406 2.030 0 40 FEAB C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(OCC(F)(F)F)cc1 58174412 ZEQALPITJIUUJK-NSHDSACASA-N 372.343 2.344 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(c2cnnc(O)c2Cl)CC1 58178475 ZPPOFXKPNKTGJG-UHFFFAOYSA-N 367.236 2.380 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2ccccc2n1 10425728 PTPFGNAQUGOUBM-UHFFFAOYSA-N 366.421 2.219 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)cc1 13690881 QAKWYLXSNUDLHZ-MRXNPFEDSA-N 363.377 2.171 0 40 FEAB CCN1CCN(c2ncc3c(=O)n(Cc4ccc(C)cc4)ccc3n2)CC1 39404013 OZBHJMATALIFCI-UHFFFAOYSA-N 363.465 2.290 0 40 FEAB Cn1cccc1C(=O)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 17984532 XCEMPWVPKSFSCD-UHFFFAOYSA-N 369.402 2.262 0 40 FEAB O=C(Nc1cccc2cccnc12)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 14168024 VZGHWHLKKNTICV-INIZCTEOSA-N 373.478 2.072 0 40 FEAB CC(C)(CNC(=O)COc1cccc(C(F)(F)F)c1)N1CCOCC1 14252484 WWKLBTJFUAUERF-UHFFFAOYSA-N 360.376 2.311 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1ccc(OC)c(OC)c1 6608634 KPIQTAZGXCGCHN-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCN(CC)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 5694629 JKSMJSUQKIONSL-UHFFFAOYSA-N 361.467 2.110 0 40 FEAB COc1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 15842585 FNOOJJOIOZQLCV-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB NC(=O)c1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 7927255 CJJCIPNGWUBFDB-INIZCTEOSA-N 373.478 2.467 0 40 FEAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)c1ccccc1 9365588 IHCCNEWXZNBMEB-GOSISDBHSA-N 365.433 2.196 0 40 FEAB CNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71788122 GCQNMZCRYMMHTM-KRWDZBQOSA-N 368.389 2.114 0 40 FEAB CC(C)CCc1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 71828100 JOUOMIQEAJGZED-LJQANCHMSA-N 370.409 2.388 0 40 FEAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)NC1CCCCCC1 9883134 BLVPPWJIIQDJOP-QGZVFWFLSA-N 357.454 2.379 0 40 FEAB COc1ccc(CCNC(=O)CCCc2nnc3ccccn23)cc1OC 72405881 JGDBVUZLPNJTPX-UHFFFAOYSA-N 368.437 2.428 0 40 FEAB Cn1cc(S(=O)(=O)NCCN2CCc3cc(C(C)(C)C)ccc32)cn1 72597077 WWXLWEBNNNOSKY-UHFFFAOYSA-N 362.499 2.059 0 40 FEAB Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)o1 78869985 QGPZESVMISWJGT-CYBMUJFWSA-N 362.451 2.108 0 40 FEAB CCN(C)C[C@H]1CCN(c2nccnc2N2CC[C@H](CN(C)CC)C2)C1 95997134 MTFBSGFRQJBXLS-QZTJIDSGSA-N 360.550 2.033 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2c[nH]c3ccccc23)cc1 9995969 XRFWQGUKKKFDPH-UHFFFAOYSA-N 371.462 2.107 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218617243 XTWMIXZNVMMWMP-YQVWRLOYSA-N 359.447 2.279 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cc1 189822654 VAOHKZYMNYORKF-PBHICJAKSA-N 368.499 2.052 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 72378050 PMVHNGFBNYKIMH-HNNXBMFYSA-N 368.441 2.143 0 40 FEAB COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)C(=O)O 33929421 QVZGIXXEDINKGE-HKJJFUAXSA-N 368.389 2.055 0 40 FEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217470650 KIELKQXKKVZEFI-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1NC(C)=O 223020618 JPTZQHGLOKKUMX-UHFFFAOYSA-N 374.469 2.028 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCc3ccco3)ccc21 225507818 JLEGACFWSLUDOG-UHFFFAOYSA-N 374.462 2.490 0 40 FEAB CCOC(=O)c1csc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 49960862 XCEUWCXQHXHXGF-UHFFFAOYSA-N 372.406 2.128 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 223304516 GXPPCQKSQOFFQT-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1 223668545 XSAAZMAEZOPEQF-UHFFFAOYSA-N 368.405 2.090 0 40 FEAB COc1cccc(N2CCN(C(=O)CCCNc3ncccn3)CC2)c1 45881706 WZDWTEQMDMVVRL-UHFFFAOYSA-N 355.442 2.026 0 40 FEAB COC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222407216 HDIZYZVIAVRAKZ-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB O=C(O)c1cc(I)c(-c2cccc(F)c2)[nH]c1=O 96517591 VUXSAHLTUMIXES-UHFFFAOYSA-N 359.094 2.484 0 40 FEAB CN(C)C(=O)[C@H]1OC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96058407 ZSCQQYZLEVBWKU-SFHVURJKSA-N 372.465 2.090 0 40 FEAB O=C1NC2(CCN(C(=O)c3cccc(F)c3)CC2)C[C@@H]1c1cccnc1 96199471 ZHOOQLITVMOXCQ-QGZVFWFLSA-N 353.397 2.499 0 40 FEAB Cc1ccc(N2CCC[C@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96229303 LSMAXNKACQWEBO-HXUWFJFHSA-N 353.470 2.299 0 40 FEAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(c3ncccn3)C2)C1)c1ccccc1 96225733 JAVJXAJYQRQLEN-FOIQADDNSA-N 365.437 2.122 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)cn1 248092415 LRLMULBDBHJHAL-MRXNPFEDSA-N 362.437 2.366 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccc(F)cc2)Cc2cncn21 247469356 DVTCPIZMVFAXAZ-IBGZPJMESA-N 365.412 2.291 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(CCOc1ccc(Cl)cc1)C2 248035267 MMTLUMPFLUGFFY-INIZCTEOSA-N 374.872 2.284 0 40 FEAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248323279 XOIFHGZGMWBMCE-GAPZROTKSA-N 372.465 2.484 0 40 FEAB Cc1c(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)sc2ncn(C)c(=O)c12 257288708 PVGITYTVZLSAIP-XIKOKIGWSA-N 360.483 2.050 0 40 FEAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257278832 ODVJXWXHIMWWIV-AWEZNQCLSA-N 352.394 2.017 0 40 FEAB NCC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257228667 FUUJUJNSIYRTSR-ILXRZTDVSA-N 369.387 2.365 0 40 FEAB Cc1nc(CC(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)cs1 257312397 UNTYJKMRDRKZQE-UHFFFAOYSA-N 357.439 2.149 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3cncn3C)C2)n1 257262669 LMINDYTVLDRHPB-HNNXBMFYSA-N 364.457 2.432 0 40 FEAB Cc1cnc(C(=O)N2CC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)cn1 257244111 IJWYFUHLDLKVEX-CQSZACIVSA-N 350.426 2.128 0 40 FEAB COCC1=CCN(C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)CC1 644436094 CEDUGDUGIMCNEK-NRFANRHFSA-N 358.482 2.209 0 40 FEAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 647585448 QSVJKLMKBHKWBX-HZMVEIRTSA-N 358.438 2.199 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)NCC1(O)C2CC3CC(C2)CC1C3 1775997108 VVWNYKOZHTZSHA-UHFFFAOYSA-N 357.450 2.304 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)C2CCN(C3CCCC3)CC2)C[C@H]1c1ccccn1 97505511 YUXSBOHGAFTLGX-QZTJIDSGSA-N 371.481 2.363 0 40 FEAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCN2C(=O)CNC2=O)o1 608255355 BPXLYOMSYYGPJN-HIFRSBDPSA-N 361.442 2.474 0 40 FEAB CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1)c1cn(C)c3cccc(c13)N2 604419354 DNFQVWYVCJRSRR-QGZVFWFLSA-N 361.405 2.112 0 40 FEAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@](C)(CC(=O)O)c2ccc(F)cc2)C1 634829153 OTBZZARXBYWUIY-ORAYPTAESA-N 374.416 2.093 0 40 FEAB O=S(=O)(N1CC2(C[C@H](Oc3ncccc3F)CS2)C1)C(F)(F)F 575403391 JUNAJIBGMKTRBQ-QMMMGPOBSA-N 372.365 2.009 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cccn2C2CCCC2)C1 685943539 YCUJLEDFSXHEET-JJRVBVJISA-N 357.458 2.016 0 40 FEAB CN1CCN(C(C)(C)CNC(=O)Nc2ccccc2-n2cccn2)CC1 57996615 NLYYGCPFNHZKKS-UHFFFAOYSA-N 356.474 2.020 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)c1 58244194 PKBUXMVZCYZGBE-LBPRGKRZSA-N 366.405 2.166 0 40 FEAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2-c2ccoc2)on1 12252313 JMFNNXPUXLSPRY-UHFFFAOYSA-N 353.382 2.402 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12336979 NVSPNHVEIUCCCE-GFCCVEGCSA-N 358.427 2.189 0 40 FEAB CC(C)CCNC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13549362 LRSHDKDXWFJQNC-LLVKDONJSA-N 350.854 2.385 0 40 FEAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1nonc1N 19589148 HKGOADVFQRHHCS-SZVBFZGTSA-N 369.469 2.063 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)nc2n1 5021411 UTJHXRUMYMEALK-UHFFFAOYSA-N 367.409 2.340 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCCOc1ccccc1 11085652 RZJBQZNARYFTMV-UHFFFAOYSA-N 351.406 2.441 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(c3ccc(S(C)(=O)=O)cc3)C2)nc1 1888870035 ZSASVIZQEDYPTJ-MRXNPFEDSA-N 360.483 2.294 0 40 FEAB O=C(Nc1nncs1)c1sccc1S(=O)(=O)N1CCCCC1 21215697 MRAMQZQIAMVUQA-UHFFFAOYSA-N 358.470 2.027 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056224584 WTFAOEHFJWVCOS-FQEVSTJZSA-N 368.485 2.350 0 40 FEAB Cc1cc(C)nc(N2C[C@@H]3CN(c4nc(O)c(F)c(C(C)C)n4)C[C@H]3C2)n1 2086946003 LDPVHWMHTURQSW-ZIAGYGMSSA-N 372.448 2.424 0 40 FEAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1Cl 2952142 USAKEIARMVFVNX-UHFFFAOYSA-N 371.824 2.092 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)c1 4250380 QSQCFJDYPMPFTK-UHFFFAOYSA-N 357.439 2.382 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 4769968 DFSJGBBBWBPESH-AWEZNQCLSA-N 368.389 2.473 0 40 FEAB CCOc1ccc(OCC(=O)NCc2nnnn2C2CCCCC2)cc1 10594235 YWPIOZCANZBLBB-UHFFFAOYSA-N 359.430 2.272 0 40 FEAB CSc1cccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c1 15866601 CSSHAMURHNMWTJ-UHFFFAOYSA-N 369.450 2.130 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CCN(c2cnc3cc(Cl)ccc3n2)CC1 2086868979 MLRDMNBOZZVSMI-CYBMUJFWSA-N 361.877 2.318 0 40 FEAB CN(C)c1cc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2298187903 UHNRZUOPJOWSEQ-CYBMUJFWSA-N 353.417 2.017 0 40 FEAB CC[C@@H](CNC(=O)Cn1nnc2ccccc21)N1CCc2ccccc2C1 40074401 LDZDCRBDUYRTJN-SFHVURJKSA-N 363.465 2.384 0 40 FEAB Cc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1Cl 40039560 UKZIBLVWEHCBPB-KRWDZBQOSA-N 364.873 2.431 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1 20568083 QXOYVPPZRQIPOR-UHFFFAOYSA-N 353.488 2.138 0 40 FEAB OCCN1CCO[C@@](O)(c2cc(-c3ccccc3)nc3ccccc23)C1 2046178 VWNMNPOOYFEGIH-OAQYLSRUSA-N 350.418 2.371 0 40 FEAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc2c(c1)OCCO2 4317001 OOULCWWVFZRTCT-UHFFFAOYSA-N 373.434 2.151 0 40 FEAB O=c1c2ccc(Cl)cc2ncn1CCS(=O)(=O)Oc1ccccc1 17735847 OWPICTUVRBUPAL-UHFFFAOYSA-N 364.810 2.459 0 40 FEAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 32869081 ZIDHPFQWDFCPMY-CYBMUJFWSA-N 359.451 2.342 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 41785532 BCIQCJRCEIAXIS-SFHVURJKSA-N 369.396 2.337 0 40 FEAB O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCCC1 22474985 MHPWILYSVQPYFA-ZDUSSCGKSA-N 372.874 2.033 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 53776484 CAGSYIRKMXTYPR-SFHVURJKSA-N 353.466 2.076 0 40 FEAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)Nc1cccc(F)c1 22912717 YAXFOKSLGABKSZ-IBGZPJMESA-N 357.429 2.115 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C(C)(C)C)n[nH]2)CC1 22748594 SZKWGVMVEILPCF-LLVKDONJSA-N 368.503 2.385 0 40 FEAB CC(C)N1CCN(C2CCN(CCc3ccccc3)CC2)C[C@H]1CCO 104642277 SJJHZUWTSJEPJS-JOCHJYFZSA-N 359.558 2.471 0 40 FEAB O=C(c1ccno1)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O 108534475 CSPXDMNBRCFWKI-LJQANCHMSA-N 354.410 2.115 0 40 FEAB O=C(NC[C@@H]1COCCO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 55845081 LQXKPHIGBIFEJD-QGZVFWFLSA-N 364.405 2.080 0 40 FEAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35307603 SUPMHMMRYWRIHI-LBPRGKRZSA-N 356.451 2.121 0 40 FEAB COCCN(Cc1cccs1)C(=O)c1nn(C)c(=O)c2ccccc12 58325017 PAWZFVPFYJJXGN-UHFFFAOYSA-N 357.435 2.284 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1C 408557491 NAXHUVXXYOJNPT-OAHLLOKOSA-N 368.499 2.319 0 40 FEAB CCc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 8080177 SQOZGAGHIAUZHP-UHFFFAOYSA-N 357.435 2.316 0 40 FEAB CC(=O)NCCC(=O)OCC(=O)Nc1ccccc1Cc1ccccc1 4338995 PBKVLRYXSCWNOT-UHFFFAOYSA-N 354.406 2.285 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccccc1F 5291395 MPNRDQAVVRXPMZ-HXUWFJFHSA-N 368.364 2.478 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 6507422 NAXPAXOZJLYMEX-UHFFFAOYSA-N 372.425 2.228 0 40 FEAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(F)c2)c(=O)c1=O 67320379 UZLBFBZHBBRHJT-UHFFFAOYSA-N 371.343 2.225 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccccc1F 8734286 DXQDVXRAUBJXGV-IBGZPJMESA-N 354.337 2.238 0 40 FEAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 70666305 PBWCYOHYYMLSNC-NEPJUHHUSA-N 360.366 2.258 0 40 FEAB biogenic CCn1c(=O)n(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc21 25331584 UOPYRAICBLZDJM-KRWDZBQOSA-N 372.494 2.304 0 40 FEAB Cc1ccc2ncc(CN3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)n2c1 93078288 LUIHUOGLWDWUIY-KRWDZBQOSA-N 369.513 2.208 0 40 FEAB CN1C(=O)COc2ccc(-c3csc(NC(=O)[C@@H]4CCCO4)n3)cc21 19796420 SUUKXOZOVLBGCU-AWEZNQCLSA-N 359.407 2.283 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1C 9451188 DRRYUCNZZJQBHC-GFCCVEGCSA-N 350.415 2.412 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)[C@@H]1C 9516532 UCWCZZAOIXOKSZ-LMSBXDPUSA-N 371.481 2.481 0 40 FEAB COCCN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 72273952 UOBXRACRMQOXBJ-CYBMUJFWSA-N 354.834 2.252 0 40 FEAB Cc1cccc(CS(=O)(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 84210728 CSRWFRWCJHZWEZ-IAGOWNOFSA-N 354.516 2.304 0 40 FEAB CN(C)[C@@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1cccnc1 72310123 WOYURFMVPZVEFL-HXUWFJFHSA-N 366.465 2.123 0 40 FEAB O=C(O)c1ccn(-c2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)n1 95970053 WZOWDZLVWHWEAK-KRWDZBQOSA-N 365.345 2.349 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 408607772 QILPSHCRUYSVBN-NSHDSACASA-N 352.387 2.140 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(OC)ccc1Br 28577571 MMICUDFMYCIVNU-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB CN(C)C(=O)N1CCO[C@H](c2nc3ccc(-c4ccccc4)cn3n2)C1 306137522 QZANMDWAFRFVSA-INIZCTEOSA-N 351.410 2.451 0 40 FEAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 70666366 UWFGSLFOSRGZIM-NEPJUHHUSA-N 360.366 2.258 0 40 FEAB biogenic O=C(C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1)NCc1cccs1 35290121 WUNHAHDFRDKVBM-QHCPKHFHSA-N 370.883 2.405 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccccc1F 224148016 ZYNQNMOTTCPNDA-UHFFFAOYSA-N 360.393 2.162 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225812316 SCCSQTFICNMUHV-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)C(C)C)C2 96036175 YDOBGBGWOFVBDS-FQEVSTJZSA-N 361.486 2.127 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)cc(C)n1 96208872 BEOMRIZSHCJGEN-XLIONFOSSA-N 353.422 2.261 0 40 FEAB O=C(c1ccnnc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 96158400 YEWMSMUTZMXGQB-UHFFFAOYSA-N 357.483 2.452 0 40 FEAB COc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1 96240845 XXEZYEDDNQBSJN-GOSISDBHSA-N 372.465 2.090 0 40 FEAB Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1F 96259363 NMVHDZOAONETPE-UHFFFAOYSA-N 370.428 2.499 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cnccn2)c2ccccn2)CC1 257217572 CZNZQNKFSWOODV-GPMSIDNRSA-N 367.453 2.285 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21Nc2ccccc2S(=O)(=O)N1 253597076 ZTSVAEQHXCKNOV-FCLUMBPUSA-N 350.440 2.086 0 40 FEAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(CC(N)=O)CC[C@H]3O[C@@H]21 257314272 UWDNOKZMDIVCCQ-AZAGILFBSA-N 360.454 2.120 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2nccnc2N(C)C)C1 257271369 MYADNYLEYLCVMX-HNNXBMFYSA-N 357.458 2.171 0 40 FEAB COc1ccc(CNC(=O)N2CCc3cnc(C(C)C)nc3C2)c(OC)n1 641934116 OBQQRZJPQMMHKV-UHFFFAOYSA-N 371.441 2.280 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)ccc1N1CCOCC1 648931309 WUOJUVKYFDELNH-ZBFHGGJFSA-N 354.397 2.110 0 40 FEAB Cc1ccccc1C1(CNC(=O)[C@H]2CCc3nnc(C)n3C2)CCOCC1 676805334 TUYDQAYXWARQRX-KRWDZBQOSA-N 368.481 2.322 0 40 FEAB CO[C@]1(C)CCCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 684273665 NHXWLHAKVIDCMM-GHTZIAJQSA-N 373.497 2.431 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CC(F)(F)C3)C2)c1 575404944 FWTSACSTSSBBDE-INIZCTEOSA-N 374.391 2.256 0 40 FEAB O=C(O)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 653643740 IZTKMBZGNDQRAV-QGZVFWFLSA-N 358.438 2.225 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)c1 575402312 AFGQCJHFIYVRND-KRWDZBQOSA-N 353.422 2.485 0 40 FEAB O=C(NCc1cncc(N2CCCC2=O)c1)[C@H]1CCc2ccccc2O1 575620128 QULDMICNXWDFAC-GOSISDBHSA-N 351.406 2.218 0 40 FEAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)/C=C/c1ccncc1 585288039 OEZCSFRKQFHJME-UUHFFZMRSA-N 357.454 2.160 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 585109456 QVPYHLKDZYCBKE-BRWVUGGUSA-N 374.437 2.433 0 40 FEAB CN(C)C(=O)COCC[C@H]1CN(Cc2nccs2)Cc2cccn2C1 585095095 FMIWJCIWKGOUES-HNNXBMFYSA-N 362.499 2.072 0 40 FEAB CO[C@H]1CCCN(C(=O)COc2ncccn2)[C@H]1Cc1ccccc1F 585276086 JOHQDMZUGUSIQP-IRXDYDNUSA-N 359.401 2.243 0 40 FEAB O=C(CSc1ccc(C(F)(F)F)cn1)NCCNc1cnccn1 56486600 GQELEXKNQHMCEK-UHFFFAOYSA-N 357.361 2.211 0 40 FEAB COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](C)C2)C1 1697213385 ROEZVUHOQARMRF-GJZGRUSLSA-N 361.490 2.175 0 40 FEAB C[C@H]1CCCCN1CC(=O)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19496332 PGKPIPGUSCGULC-DLBZAZTESA-N 372.513 2.160 0 40 FEAB COc1ccccc1OCC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5220611 UDGCCOSCIOGDIY-CQSZACIVSA-N 358.369 2.135 0 40 FEAB Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 12086286 ZUDUTHMORXJNFY-CABCVRRESA-N 360.417 2.329 0 40 FEAB CN1CC2(CCC(C(=O)Nc3cnn(C)c3)CC2)Oc2ccccc2C1=O 12086831 KPBZNMXBGLOFRR-UHFFFAOYSA-N 368.437 2.452 0 40 FEAB CC(C)C(=O)NCc1ccc(-c2nc(N(C)C)ncc2C(=O)N(C)C)cc1 12220092 SAKZOOACHGMDHJ-UHFFFAOYSA-N 369.469 2.184 0 40 FEAB COc1ccccc1CC(=O)NCCNC(=O)c1c[nH]c2ccccc12 12297026 IFWKXXOTOYULTP-UHFFFAOYSA-N 351.406 2.265 0 40 FEAB biogenic CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1OC 16681843 CLMBCMQETGZVSR-UHFFFAOYSA-N 352.387 2.385 0 40 FEAB CN1CCc2nc([C@@H]3CCN(C(=O)c4ccc(N(C)C)cc4)C3)ncc2C1 19590636 MZHDIQIJYAYRAU-MRXNPFEDSA-N 365.481 2.160 0 40 FEAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCN(C4CCOCC4)C3)c2)CC1 19739080 HLHAWLNYSWYCJH-GOSISDBHSA-N 372.513 2.027 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCN3CCC(C)CC3)C2)c1 19745662 UJJNPSHKYWLNKK-SFHVURJKSA-N 373.497 2.005 0 40 FEAB CCOC(=O)/C(C1=NC(=O)CS1)=C1/NN=C(c2ccc(Cl)cc2)O1 6463256 ACQYUIQGEQQWQA-QBFSEMIESA-N 365.798 2.068 0 40 FEAB Cc1nc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cn1C 575613720 SLDPOJQUTBQJOS-LBPRGKRZSA-N 370.862 2.009 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 3271952 IZVYUWRVZTWYJW-GOSISDBHSA-N 366.417 2.153 0 40 FEAB NC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 10044247 CAZUECCVHAXYMS-CYBMUJFWSA-N 359.234 2.498 0 40 FEAB O=C([C@H]1CCOC1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834345 KYQBWQJPYSXOBP-RWMBFGLXSA-N 355.360 2.032 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCN1CCOCC1 24925045 NEMGTJHKBLNHLS-UHFFFAOYSA-N 354.516 2.211 0 40 FEAB CN(C1CCNCC1)S(=O)(=O)c1ccc(Br)cc1Cl 36300033 ACJVQXWOLSIJFC-UHFFFAOYSA-N 367.696 2.475 0 40 FEAB CCNC(=O)c1cc2c(CNC(=O)c3ccc(CC)nc3)nn(C)c2s1 1565553847 FCYIJPIJBCVQLS-UHFFFAOYSA-N 371.466 2.272 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)cc1 1565541750 UCCIZKNUOFJJNK-KNQAVFIVSA-N 364.445 2.049 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153443 GVIXYCSWSYEILI-UHFFFAOYSA-N 356.447 2.343 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055747847 YDJINVQIUZOPNI-UYLIBMQOSA-N 355.463 2.268 0 40 FEAB COc1ccccc1N1CCN([C@H]2CCCN(Cc3cnn(C)c3)C2)CC1 19299720 APOJHXWXNLMGFA-IBGZPJMESA-N 369.513 2.215 0 40 FEAB Cn1cnnc1SCCNC(=O)Cn1c2c(c3ccccc31)CCC2 36708658 QFUPQUKCGWGKLM-UHFFFAOYSA-N 355.467 2.167 0 40 FEAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccnc1 49509431 QZLVNSDVUGLHCE-UHFFFAOYSA-N 352.438 2.049 0 40 FEAB COc1ccc2c(CC(=O)Nc3ccccc3C(N)=O)cc(=O)oc2c1 9705224 FQBQOXDBWNMWKC-UHFFFAOYSA-N 352.346 2.082 0 40 FEAB CC(C)CCOC[C@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999385 LGDSYPRYABNHCB-LQAWEQHXSA-N 368.455 2.252 0 40 FEAB biogenic Cc1cc(NC(=O)CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)on1 40057182 TYMQOTPKYKEHDH-GFCCVEGCSA-N 351.428 2.018 0 40 FEAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cnccn2)CC1 40122000 DYDIFEMUWAUEOX-UHFFFAOYSA-N 364.327 2.094 0 40 FEAB Cc1cccc(OCCNC(=O)NCc2ccc(-n3cncn3)cc2)c1 40149936 BSCJKKRQWVIKEV-UHFFFAOYSA-N 351.410 2.454 0 40 FEAB O=C(c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450516 VYCKYDZPGGPCBZ-UHFFFAOYSA-N 368.455 2.470 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C 4063342 QSMWBKZZGXMYCO-AWEZNQCLSA-N 359.378 2.037 0 40 FEAB biogenic COc1ccccc1NC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 32104762 LXJWTYMBDIHWLM-UHFFFAOYSA-N 359.403 2.448 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O 4514772 UHUWITGOOVXUPR-MGPLVRAMSA-N 350.806 2.174 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@@H](C)O1 21059213 AMCUGEANMNXYQB-HUUCEWRRSA-N 358.486 2.500 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nnsc1Cl 32759244 FDLYRLMZJADWSN-UHFFFAOYSA-N 365.846 2.077 0 40 FEAB CS[C@@]12C(=O)O[C@H]3CC[C@@H]4[C@@H]5[C@@H]6C(=O)O[C@@H]7CC[C@@H]8[C@H]7[C@@H]6[C@@H]([C@H]81)[C@@H]5[C@@H]2[C@@H]34 104286892 JDROFKWAZRVEEN-JJHGBONASA-N 372.486 2.359 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1 32908034 RCHHYPGYTXVEED-UHFFFAOYSA-N 366.370 2.236 0 40 FEAB CN(CCCNC(=O)c1cc2c(ccc3ccccc32)[nH]1)S(C)(=O)=O 41421872 HNIGJVYHGVXFNE-UHFFFAOYSA-N 359.451 2.332 0 40 FEAB Cc1cccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1C 100618766 RBLAOYKCVZXLRQ-OAGGEKHMSA-N 350.484 2.374 0 40 FEAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O 53140470 QCXOAZLEVYWVBK-SFHVURJKSA-N 363.845 2.366 0 40 FEAB COCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 28202801 ILVWGYLMYGZENP-UHFFFAOYSA-N 366.414 2.393 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 24476486 JZJFEDXHWZCYFH-MRXNPFEDSA-N 355.442 2.323 0 40 FEAB O=C(NCCC(=O)N(Cc1cccnc1)C[C@H]1CCCO1)C1CCCC1 55800495 ZRQZIDXRGKMQEE-GOSISDBHSA-N 359.470 2.286 0 40 FEAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(C(C)C)C(C)=C1C(=O)OC 12419554 DCUJSLBVHCUWNL-OAHLLOKOSA-N 364.364 2.292 0 40 FEAB CN(CC(=O)NC1CC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25435315 PNEZQEHMXRBWCK-UHFFFAOYSA-N 354.332 2.466 0 40 FEAB O=C(CSc1nncs1)NCCNc1ncccc1C(F)(F)F 56992249 AHGIRXCPVRXRKT-UHFFFAOYSA-N 363.390 2.272 0 40 FEAB Cn1nccc1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 26396456 WHURNXNVXSTTOR-UHFFFAOYSA-N 367.375 2.471 0 40 FEAB Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 177205557 VVBCJHREMGDCAX-VQTJNVASSA-N 368.481 2.084 0 40 FEAB Cc1ccc(OCCN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 24184828 YRPBOGHNYKHQDN-IRXDYDNUSA-N 358.438 2.007 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)n1 58172487 OAMWHLWKAHLQIN-OAHLLOKOSA-N 363.425 2.221 0 40 FEAB CCn1cc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cn1 58161719 WWHGTKAMAKHKMR-UHFFFAOYSA-N 363.384 2.022 0 40 FEAB O=C1NN(c2cccc(C(=O)N3CCCCC3)c2)C(=O)[C@H]2CC=CC[C@H]12 58291000 AZBDKFPQAZPSSQ-IRXDYDNUSA-N 353.422 2.273 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccccc1F 12890808 QNHIZJWGNWKGMG-IBGZPJMESA-N 353.353 2.373 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306144779 ZOJDJVMDLXPIKE-LSDHHAIUSA-N 371.510 2.316 0 40 FEAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1nc(-c2ccsc2)no1 12909400 JHTJJXTWKHXODH-UHFFFAOYSA-N 374.403 2.351 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CSc2ccccc2C(=O)O)CC1 12937393 PPPMEHMGBAOMTM-UHFFFAOYSA-N 366.439 2.214 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)c1ccccc1 3596779 FQUSTWWAEZNMGT-YJBOKZPZSA-N 365.433 2.417 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 13021445 VZYUSOSXBZOLJT-UHFFFAOYSA-N 368.389 2.022 0 40 FEAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]2CCCN2C)cc1OC 65551895 CIQKYAMCYIIDGY-SNVBAGLBSA-N 355.822 2.351 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2CCCN(C(C)=O)CC2)c(OC)c1 14200959 VVTAFDKWCQUACT-JXTAAOLFSA-N 362.470 2.022 0 40 FEAB COc1ccccc1C[C@@H](C(=O)Nc1ccccc1OC)c1nn[nH]n1 5671207 PJMQJEUWBHUCMG-CYBMUJFWSA-N 353.382 2.182 0 40 FEAB COc1cc(C(=O)N[C@@H]2Cc3ccccc3NC2=O)cc(OC)c1OC 15083699 NVAIOQJJPUKURG-CQSZACIVSA-N 356.378 2.006 0 40 FEAB biogenic,in-vitro Cc1nc(-c2cccs2)ccc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 9586573 HPUOIBUIRGMLMC-LLVKDONJSA-N 359.407 2.216 0 40 FEAB Cc1cnn(CCC(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 71894323 BSGDDDNAPUCLOV-GASCZTMLSA-N 350.463 2.438 0 40 FEAB CCOC(=O)Cn1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1=O 97021252 ACPZLMGZVFBWFE-UHFFFAOYSA-N 368.433 2.471 0 40 FEAB Cc1cc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc12 9911684 CFWCPUDFAFJQLW-KRWDZBQOSA-N 364.492 2.329 0 40 FEAB COc1c(NC(=O)C(=O)NCC(C)(C)c2ccccc2C)c(C)nn1C 89689135 AVQQFNBVGDPFTO-UHFFFAOYSA-N 358.442 2.078 0 40 FEAB CCN(CC)C(=O)CN1CCCN(C(=O)c2scnc2C2CC2)CC1 89697843 OKIVSCIAGCNSDY-UHFFFAOYSA-N 364.515 2.037 0 40 FEAB COc1cccc(OCC(=O)N2CCN(Cc3nc(C)cs3)CC2)c1 21687025 LGMATABRTMZMRP-UHFFFAOYSA-N 361.467 2.183 0 40 FEAB O=C(OCc1ccccc1)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 60772261 NWXOLHHCKCTZCE-FUHWJXTLSA-N 357.381 2.073 0 40 FEAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H]12 306127120 FOYBPEUJJHLXRN-QRFRQXIXSA-N 371.481 2.110 0 40 FEAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 408551230 GULWYQLWUHTGBQ-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 306139121 SPVYZWRVNLRQMX-KRWDZBQOSA-N 366.465 2.230 0 40 FEAB C[C@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373071 UESQDFYMSNYBDQ-IRXDYDNUSA-N 372.513 2.018 0 40 FEAB CC(C)COC(=O)N1CCCN(C(=O)CCOCC(F)(F)F)CC1 60345114 QYMCNVHDJAJRHB-UHFFFAOYSA-N 354.369 2.282 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCN(c2nc3ccccc3n2C)CC1 79478619 GVUCHXUYMALBFZ-UHFFFAOYSA-N 353.426 2.069 0 40 FEAB COC(=O)CCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 39520164 KYHZGTHQLPPDAN-UHFFFAOYSA-N 351.790 2.392 0 40 FEAB COc1ccc(F)cc1CNC(=O)CC1(N2CCOCC2)CCCC1 189414946 MINYMPZCZBVYLK-UHFFFAOYSA-N 350.434 2.486 0 40 FEAB CCn1ncc(CNC(=O)Nc2ccc(OC)cc2Br)n1 528960937 LQMTXPIQEJHHDA-UHFFFAOYSA-N 354.208 2.391 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)ccc21 224785209 KLBWIRATVLPPGA-QEORTHHSSA-N 360.479 2.453 0 40 FEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1CCOC 223001848 QBMBWJBRDCLPSF-IAGOWNOFSA-N 360.483 2.148 0 40 FEAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCc2[nH]c3ccccc3c2C1 1073395743 KRDYKMMIPBBKLT-LJQANCHMSA-N 358.405 2.329 0 40 FEAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 83293760 CQRHDJNAPDZBCN-KOEMTLIBSA-N 352.515 2.473 0 40 FEAB CN([C@@H](C(=O)NCCCc1ccccc1)c1ccccc1)S(C)(=O)=O 225348975 PBTMCTRKCZAOMJ-GOSISDBHSA-N 360.479 2.368 0 40 FEAB c1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96240458 VDOJMUFLTYEVPG-QUCCMNQESA-N 354.454 2.196 0 40 FEAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2[C@@H]4CCCC[C@@H]24)C3)C1 247958468 UHWAWMYPEOLDOI-USXIJHARSA-N 368.481 2.133 0 40 FEAB COCCC(=O)N[C@@H]1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 585137641 LRQRHTIIIZMGDJ-YNEHKIRRSA-N 372.391 2.253 0 40 FEAB CC(=O)NCc1cnc([C@@H]2CN(Cc3cccc4[nH]ccc34)CCO2)[nH]1 257309879 UCTKYPMNJKCJSM-SFHVURJKSA-N 353.426 2.101 0 40 FEAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCOCc2ccccc21 548093361 WALKNYRDFRYUSE-UHFFFAOYSA-N 364.423 2.015 0 40 FEAB Cc1ccc(NC(=O)c2ncc3ccccn23)cc1C(=O)N1CCOCC1 632779271 WRXKFIHWZGHQNS-UHFFFAOYSA-N 364.405 2.367 0 40 FEAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CCC(C)(C)C)CC1 55934533 NTYZEWLYTKXBFA-MRXNPFEDSA-N 372.513 2.414 0 40 FEAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1ccccc1F 58238107 LRJCPZAZPZAKJJ-LLVKDONJSA-N 355.460 2.224 0 40 FEAB C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 69343117 XLCNNVPOLQZRTC-VHSXEESVSA-N 367.876 2.181 0 40 FEAB Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccccc2CC(N)=O)c1 63435431 WQYMBMPWJNCHKY-UHFFFAOYSA-N 367.449 2.055 0 40 FEAB CC(=O)N[C@@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C 36638637 MWBQKHFSICSDKB-IUODEOHRSA-N 352.504 2.474 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCc3cc(C4CC4)ncn3)CC2=O)c1 585360593 MOPBZILUXHOXAR-CQSZACIVSA-N 366.421 2.032 0 40 FEAB C[C@H](CC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)n1cncn1 12086994 WXIRRBBFDLWMFZ-ZBFHGGJFSA-N 356.426 2.418 0 40 FEAB Cn1cc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)ccc1=O 12325952 RPLKLLAIZAFGIJ-UHFFFAOYSA-N 353.353 2.378 0 40 FEAB O=C(COc1ccccc1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19374088 BWGWMOJEIJMTGN-UHFFFAOYSA-N 361.401 2.373 0 40 FEAB NC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1 19399733 OAFSFJBZEOCTMR-UHFFFAOYSA-N 363.421 2.001 0 40 FEAB COc1ccc(CCNC(=O)c2ccnc(N3CCOCC3)c2)cc1C 19571369 JELWEVIEDMSZFI-UHFFFAOYSA-N 355.438 2.208 0 40 FEAB Cc1noc(C)c1CCNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19580852 PMXPJFMDFQRDEU-RZQQEMMASA-N 367.405 2.037 0 40 FEAB COCCNc1nc([C@@H]2CCCN(C(=O)CCOC)C2)cc2ncccc12 19593134 PQYIFACGBMWZRL-OAHLLOKOSA-N 372.469 2.431 0 40 FEAB CCN(C(C)=O)[C@@H]1CN(C(=O)Cn2nc(C)nc2C)C2(CCCCC2)C1 19703908 QNIUPTRGBYKVSR-KRWDZBQOSA-N 361.490 2.067 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)c1C 4485252 HHUOPJCRNLDFCX-GFCCVEGCSA-N 369.377 2.494 0 40 FEAB Cc1cc(C)n2c(SCC(=O)NC(=O)Nc3ccccc3F)nnc2n1 6325986 BNGYVOSAJYDGSI-UHFFFAOYSA-N 374.401 2.321 0 40 FEAB Cn1c(N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)nc2ccccc21 1888904240 FFAQFRZGUVTOOI-UHFFFAOYSA-N 368.416 2.412 0 40 FEAB COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(S(C)(=O)=O)c1 25192048 XPEDMDIAJLVNTE-UHFFFAOYSA-N 373.430 2.470 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)c4ccc(OC(C)C)nc4)C[C@H]3C2)ncn1 1776009763 PPZNEWSLIGXGKR-IAGOWNOFSA-N 367.453 2.176 0 40 FEAB Cn1cncc1CN1C[C@@H](C(=O)NCCC(C)(C)C)C2(CCOCC2)C1 1615102009 KISQZAHIJFSCSS-KRWDZBQOSA-N 362.518 2.201 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 2086962029 XJSZIFJKTYRBOC-UHFFFAOYSA-N 352.442 2.055 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C1=O 8961550 UGDBIQKLTSFNGF-UHFFFAOYSA-N 350.371 2.091 0 40 FEAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(CC3CCCCC3)CC2)[nH]1 2055746191 XEJATFZXHWFFSR-UHFFFAOYSA-N 373.545 2.291 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)on1 2055839561 OGEUTBDGZNLYHP-HNNXBMFYSA-N 373.409 2.059 0 40 FEAB COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1Cc1ccc(F)cc1 20220437 VWYOLFPTICRICJ-UHFFFAOYSA-N 369.395 2.491 0 40 FEAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@@H]1CCCCC[C@H]1O2 22133920 CNSJAEXOWWTEPV-QZTJIDSGSA-N 358.438 2.224 0 40 FEAB Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccsc3)cc2N)cc1 225536788 XKSIKVDIELYLQX-UHFFFAOYSA-N 363.420 2.291 0 40 FEAB Cc1nnc2c(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nccn12 575616435 LEZFPDUULUUIKN-UHFFFAOYSA-N 362.846 2.110 0 40 FEAB Cc1ccc(-c2nnc(Cn3nnn(-c4ccccc4Cl)c3=O)o2)cc1 31620414 ODFNBCZYYOAMCT-UHFFFAOYSA-N 368.784 2.489 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccccc1 2451723 CAUKSKBBHGOQAO-UHFFFAOYSA-N 367.434 2.312 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2N)c1 2437528 ABHRDJVVYNOUAY-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OCc1ccccc1 1578641 VXUVNSBXLFFECZ-QWHCGFSZSA-N 350.415 2.148 0 40 FEAB O=C(NCc1ccccc1)c1nnn2c1[nH]c(=O)c1cc(Cl)ccc12 20744493 NVUUJAMTMZVDRF-UHFFFAOYSA-N 353.769 2.154 0 40 FEAB CCCCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1=O 11781525 PKXKLQAQIUFDGY-UHFFFAOYSA-N 359.426 2.033 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(C)n1N 8140205 DJROSOTXTNRPBV-UHFFFAOYSA-N 356.249 2.102 0 40 FEAB CN(C)c1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 8733448 SCRQFBMUTPYJTH-UHFFFAOYSA-N 356.264 2.371 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 107987349 YYZNMAVLXLWULF-UHFFFAOYSA-N 353.371 2.487 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102593655 ZEBFJNNBTIPDEX-STEAMIEHSA-N 369.417 2.142 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(CNC(N)=O)cc2)c1 32986336 WNZAYDPBXIMGAD-UHFFFAOYSA-N 355.394 2.267 0 40 FEAB CC(C)[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1 32905459 BNUHEFVBEYXTKV-FQEVSTJZSA-N 353.470 2.112 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 102609925 PZQQGEXEPDEQHJ-FPCVCCKLSA-N 357.797 2.252 0 40 FEAB CCCn1c(=O)n(CC(=O)Nc2ncc(C(=O)OC)s2)c2ccccc21 21865430 DFVSLVLPHPNRNF-UHFFFAOYSA-N 374.422 2.095 0 40 FEAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)[C@H](C)n3ccnc3)CC2)c1 52899845 DRRLXINHDYGMJG-MOPGFXCFSA-N 369.513 2.470 0 40 FEAB CCOC(=O)c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21821045 LGBBLVFETQXORH-UHFFFAOYSA-N 364.375 2.402 0 40 FEAB C[C@@H]1[C@@H](NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CCC[C@H]1C 104716816 NMNHCVRDQOYUHX-IPYPFGDCSA-N 363.483 2.008 0 40 FEAB COC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 23556800 UTIYZMWGQMLVLE-LBPRGKRZSA-N 357.362 2.458 0 40 FEAB Cc1c(NS(=O)(=O)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 1049864 MFCUMAGLLPXULN-UHFFFAOYSA-N 357.435 2.426 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 12322367 IGWOLMLNTZWYOQ-ZDUSSCGKSA-N 360.414 2.437 0 40 FEAB O=C1C(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 24013868 PHQNRYMHATUJDM-UHFFFAOYSA-N 369.465 2.288 0 40 FEAB CN1CCN(CCCNC(=O)CSCc2ccccc2Cl)CC1 22829340 MKFYUXULCFAKQG-UHFFFAOYSA-N 355.935 2.327 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O 25263137 NIBZYWLADMMXGG-WMLDXEAASA-N 355.438 2.460 0 40 FEAB COc1cc(NC(=O)COc2ccccc2)c(C(=O)N(C)C)cc1OC 25213262 XJPUFEAQTDDKAE-UHFFFAOYSA-N 358.394 2.423 0 40 FEAB COc1cc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1 12596587 MQMNGSATTKLPJG-SNVBAGLBSA-N 356.382 2.313 0 40 FEAB O=C(COC(=O)[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cc1 107327787 KGVPUXLVVGIQHG-MPGHIAIKSA-N 358.438 2.441 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 26779518 YUEPULRCTZIKBH-UHFFFAOYSA-N 352.346 2.031 0 40 FEAB COC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12520915 PVLGDMVEEXNJMD-GFCCVEGCSA-N 366.414 2.391 0 40 FEAB COc1ncccc1CN1Cc2cncn2[C@@H](COc2nccc(C)n2)C1 306138042 RNJVUMIXHUYPJQ-QGZVFWFLSA-N 366.425 2.021 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccccc1I)C1CC1 47920985 OETWQQAZFAOSLK-ZDUSSCGKSA-N 358.223 2.361 0 40 FEAB COc1cc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc(OC)c1 2114934 XUORJRCOZXVDPF-CMDGGOBGSA-N 354.406 2.263 0 40 FEAB biogenic O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 58218180 ZIYIYVJFKMWIST-HNNXBMFYSA-N 370.428 2.419 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 27853372 RBFUCQXBLCZVMM-IJLUTSLNSA-N 356.410 2.038 0 40 FEAB O=C1CNC(=O)N1C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 28297108 UASASOHSIIUGJY-LLVKDONJSA-N 361.829 2.086 0 40 FEAB O=C1CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CCN1 28630484 OKOGSMMYVDHNBE-UHFFFAOYSA-N 366.446 2.199 0 40 FEAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)O1 48252835 HWOHYMHVFQYIDJ-HZSPNIEDSA-N 357.410 2.258 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OC 12857458 QOAOYNQBNZLPOD-GFCCVEGCSA-N 353.440 2.242 0 40 FEAB Cn1nc(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3)C2)c2ccccc21 306128714 HIYMYWICPMMEGO-MRXNPFEDSA-N 364.453 2.063 0 40 FEAB NC(=O)C1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 3451524 RXDDAZQFLMVZJM-UHFFFAOYSA-N 351.450 2.413 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 3460263 QYKVBQRNNBAMEF-SFHVURJKSA-N 359.332 2.371 0 40 FEAB O=C1CNC(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12973070 RFYQNMZMPRMYGW-CYBMUJFWSA-N 372.450 2.292 0 40 FEAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 12982903 RNNVVCLNDYBFGN-UHFFFAOYSA-N 369.464 2.486 0 40 FEAB COc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)cc(OC)c1OC 13673119 FULOYQMOQHIRPM-UHFFFAOYSA-N 369.414 2.471 0 40 FEAB Cc1nc2cc3c(cc2n1CC(=O)NCCc1ccccc1)OCCO3 64795026 RYRJKUBLIPLWTQ-UHFFFAOYSA-N 351.406 2.475 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(C4CC4)n3C)nc2c1 6106295 VRPYTXTZHCAJJQ-UHFFFAOYSA-N 371.422 2.008 0 40 FEAB CCc1nn2c(=O)cc(CSc3nnc(-c4ccco4)n3C)nc2s1 5321577 IKWJMPQQKBUVDN-UHFFFAOYSA-N 374.451 2.394 0 40 FEAB CCSc1nnc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)s1 14124909 OXUJJRKICFLWTI-GFCCVEGCSA-N 364.452 2.403 0 40 FEAB CC(C)C[C@@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)N1CCCCC1=O 87135452 SDUTYBLOMYUYPW-SJORKVTESA-N 362.474 2.428 0 40 FEAB COC[C@@](C)(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(F)(F)F 72303367 XVDDHBZYWRCHJD-OAHLLOKOSA-N 373.306 2.069 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34CO)[C@@H]1CC[C@@H]2C(=O)O 118923261 PDRJFMGTKZFELS-SVNASUDNSA-N 352.471 2.178 0 40 FEAB CCS[C@@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 78649622 ZFKSUBIXKMKFRJ-NVXWUHKLSA-N 374.510 2.241 0 40 FEAB O=C(NC[C@H](O)CCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 543383374 KQWACMLRKXLCJD-PKOBYXMFSA-N 352.434 2.149 0 40 FEAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c1C 67218449 RKGROJCGRCFRAQ-UHFFFAOYSA-N 371.462 2.355 0 40 FEAB COc1ccc(CN2C[C@]3(CCNC3)Oc3ccccc3S2(=O)=O)cc1 306133070 MATDZOKVDNOJTE-LJQANCHMSA-N 374.462 2.011 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)c1c(-n2cnnn2)sc2c1CCC2 524735301 POZJDQIVLPEATD-UHFFFAOYSA-N 365.422 2.019 0 40 FEAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)Cc1ccsc1)CC2 72347117 CATBXIIUFGZKJD-UHFFFAOYSA-N 370.478 2.274 0 40 FEAB Cc1cc(-c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)o2)c(C)o1 56907268 BWVLPQFBMRIREW-UHFFFAOYSA-N 354.322 2.493 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 72227053 KJJDYJHIWZQYRS-OALUTQOASA-N 372.421 2.132 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(F)cc1 71335365 XZPMRMGRQQLJNB-CQSZACIVSA-N 371.416 2.080 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980064 ORRRIABTFDAPIE-CYBMUJFWSA-N 373.236 2.341 0 40 FEAB Cn1cc(C(=O)N2CCN(C3CCCC3)C[C@H](Cc3ccccn3)C2)cn1 72355207 ZYMGXVXQDYXFBC-KRWDZBQOSA-N 367.497 2.374 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 72325902 NADWNTJADSJWCH-UHFFFAOYSA-N 351.406 2.223 0 40 FEAB biogenic C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc2n(n1)CCO2 521292193 JLHZQROBPFYRNB-NSHDSACASA-N 364.808 2.419 0 40 FEAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCc1ccccc1 227169870 VBZBWLFJRXNUPO-UHFFFAOYSA-N 354.385 2.355 0 40 FEAB O=C(O)c1ncsc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 322401734 SHYDCKPFKGTOQC-UHFFFAOYSA-N 356.400 2.334 0 40 FEAB COC[C@@H]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1C 96207985 YARWJMPAZRWNBA-HNNXBMFYSA-N 356.463 2.090 0 40 FEAB O=C1CCCN1Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1 98052218 PAESHHTXUBEJJG-UHFFFAOYSA-N 370.434 2.486 0 40 FEAB Cc1nc(CN2CCO[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 96108139 YSOSOXIOUQFBHX-DZGCQCFKSA-N 350.513 2.241 0 40 FEAB C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 243278637 KZEQUKUBDWPJAK-AWEZNQCLSA-N 364.442 2.465 0 40 FEAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccc(F)cc2)Cc2cncn21 247469361 DVTCPIZMVFAXAZ-LJQANCHMSA-N 365.412 2.291 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 618254232 SEAPOVOKSWLZPH-MRXNPFEDSA-N 354.429 2.387 0 40 FEAB O=C(CSc1ncnc2nc[nH]c12)NCCOc1ccc(Cl)cc1 41107852 IWKUXWUNOUNTML-UHFFFAOYSA-N 363.830 2.294 0 40 FEAB biogenic,in-vitro CNc1cc(C)nc([C@H]2COCCN2C(=O)CCc2cccc(F)c2)n1 257201661 AILREMLUFFQESN-MRXNPFEDSA-N 358.417 2.499 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CN2CCOc3cccc(F)c3C2)cc1 585080260 VOWSTKFTOPZDPJ-UHFFFAOYSA-N 364.442 2.471 0 40 FEAB NS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)nc1 585082439 UAHLFAAMSTWWPT-SNVBAGLBSA-N 370.837 2.212 0 40 FEAB CN(C)c1cc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)ccn1 257312868 UPWZGGNMOSSZKE-QGZVFWFLSA-N 350.426 2.256 0 40 FEAB O=C(CCCn1cnc2ccccc21)N1CCC[C@@H]1CN1CCOCC1 608150357 DNCORNYJQPXJSN-QGZVFWFLSA-N 356.470 2.140 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3occc3Br)C[C@@H](C)O2)o1 619284254 HXNRMRIKVBJXOH-GMSGAONNSA-N 356.176 2.336 0 40 FEAB CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc3[nH]ccc3c2)cn1 579664339 HKBNDCZKXIYSGC-AEFFLSMTSA-N 351.410 2.134 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CN(Cc2ccncc2)Cc2cccn2C1 585095216 ILDVHGZNTDETOG-GOSISDBHSA-N 356.470 2.010 0 40 FEAB CO[C@]1(COc2cccc(F)c2)CCCN(CC2(O)CCOCC2)C1 585277657 NQVFFNHVJQMRMS-LJQANCHMSA-N 353.434 2.227 0 40 FEAB Cc1ncc2c(n1)CC[C@@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2 683386475 RBPIVTJXMSZNSZ-CYBMUJFWSA-N 369.450 2.101 0 40 FEAB COCCOCCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 647599911 PCSNZEKNMQWJKK-UHFFFAOYSA-N 356.469 2.387 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C 5221880 XQIFIDAAIQKEDA-OAHLLOKOSA-N 374.462 2.396 0 40 FEAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)CN2CCCCC2)C1 12158094 QXHARQDMXCMNDF-DOTOQJQBSA-N 364.515 2.045 0 40 FEAB CN(C)CCN(C)c1nc(N(C)C)nc2c1CN(Cc1ccccc1)CC2 12183348 XQXYTVXIJSCFAR-UHFFFAOYSA-N 368.529 2.099 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12757266 WWVJKTPAOISBDD-CYBMUJFWSA-N 351.406 2.336 0 40 FEAB CN1CCc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 19590493 FBDTYZIPLSQJLM-HNNXBMFYSA-N 372.494 2.033 0 40 FEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(C)=O)C3)nc2C)c1 19757908 YEVDQFHVIVZGNG-MRXNPFEDSA-N 368.437 2.059 0 40 FEAB O=C(O)CC1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CCCCC1 663118988 BFVGEAHOHOMWGL-MRXNPFEDSA-N 373.453 2.228 0 40 FEAB COc1cncc(S(=O)(=O)N2CCC3(CC2)OCCc2ccccc23)c1 668217300 VZEBECBUHWOBTE-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 684300551 BKSPABHGJVIEMF-KBPBESRZSA-N 350.463 2.441 0 40 FEAB COC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)nn1 591342009 NAQDAKWESPYGTR-HNNXBMFYSA-N 366.421 3.065 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030098 GJIPUUZAJZMELU-XJKSGUPXSA-N 362.426 2.294 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)c1F 244933083 CAJYLNQVLJPFNV-GFCCVEGCSA-N 359.357 2.200 0 40 FEAB O=C(c1cccnc1O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912617 QOFLUDHOHJNSSV-LJQANCHMSA-N 360.385 2.363 0 40 FEAB COc1ccc(CN2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)cc1 2037980908 MVXKTPJKGRDXDY-SFHLNBCPSA-N 352.434 2.178 0 40 FEAB Cc1cc(CC(=O)N2CC[C@H]3[C@@H](COCCN3c3ccc(F)cc3)C2)on1 2037984526 DPXZHAJZHMETIR-BEFAXECRSA-N 373.428 2.419 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CC1(OC)CCC1)CC2 1614934559 QLKPCCXOOUAXFM-INIZCTEOSA-N 366.502 2.069 0 40 FEAB C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 1565553284 RNGAHZSUVCLMLP-MRAWALMUSA-N 370.440 2.344 0 40 FEAB O=C(c1cscn1)N1CCCC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 1565547555 KJJMLCJZSOTXQE-UHFFFAOYSA-N 359.455 2.025 0 40 FEAB COc1cccc(NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)c1 4270339 SZKAFBBCTQSNIN-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 8844934 NGTQACFAJYTCBO-LJQANCHMSA-N 371.368 2.240 0 40 FEAB O=C(CCc1ccccc1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055730226 NSCQDWJZMIDEQM-QGZVFWFLSA-N 369.465 2.113 0 40 FEAB CC(C)n1nc(CN2CCCCC2)c2c1CN(S(=O)(=O)C1CC1)C2 2055719505 YEUNTTUIKGOQCA-UHFFFAOYSA-N 352.504 2.258 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)c(C)c1 2055772577 YDZTYMAWGCPYJB-KBRIMQKVSA-N 356.426 2.422 0 40 FEAB Cc1ccc(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)cc1 1775976327 YUAXRIGLXROHKU-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB Cc1ccc2c(c1)s/c(=N/C(=O)CN1C(=O)c3ccccc3C1=O)n2C 100814692 VKTHMXOGVAIRBE-FMQUCBEESA-N 365.414 2.272 0 40 FEAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1cccnc1 206686855 RZADVLUSKAXEKS-OAHLLOKOSA-N 357.391 2.073 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CN(c3ccc(F)cn3)C[C@@H]2C1 2298212768 AVJBKKBLAXDOBL-HUUCEWRRSA-N 357.433 2.088 0 40 FEAB Cc1ccnc(C(C)C)c1-n1c(C(=O)O)c(Br)c(O)nc1=O 1857793511 DHPCTKCOPASNCC-UHFFFAOYSA-N 368.187 2.226 0 40 FEAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1c(Cl)cnn1C 36615122 GEKPEWDLCWHMOM-UHFFFAOYSA-N 367.809 2.103 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1 817024 NGPWRFYKAHFGIB-UHFFFAOYSA-N 352.843 2.422 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)N(C)[C@@H]3CCc4ccccc43)ccc2c1=O 51034543 TVPNCSJCTKDDLE-GOSISDBHSA-N 363.417 2.469 0 40 FEAB COc1ccccc1C(O)(c1ccccc1OC)C1(O)CCN(C)CC1 1582119 PRHXZOKVHPWJCA-UHFFFAOYSA-N 357.450 2.396 0 40 FEAB Cc1cc(N2CCN(C)CC2)nc(S[C@H](C(=O)O)c2ccccc2)n1 3214229 KJKNEJYLLCRCEP-INIZCTEOSA-N 358.467 2.455 0 40 FEAB COC(=O)CCCCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 60126731 FSBDFCPZVZAUIT-UHFFFAOYSA-N 359.426 2.246 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCN2CCc3ccccc3CC2)cc1 83852230 NVMVBQFJWYDRDB-UHFFFAOYSA-N 374.506 2.417 0 40 FEAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 8485154 XQZPWIKCMPVABC-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 2629266 CGTMXWIZZHFSDM-UHFFFAOYSA-N 360.391 2.011 0 40 FEAB COCCN1C[C@H](c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)CC1=O 100775839 SLWFFLWNHTUOOK-OAHLLOKOSA-N 366.421 2.373 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 107233294 UMHSSFLHWDOSHJ-PKOBYXMFSA-N 371.462 2.429 0 40 FEAB COc1cccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)c1 29967923 UZWUJZHGSHTCJX-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB COc1ccccc1-c1n[nH]/c(=N/C(=O)[C@H](C)n2cnc3ccccc32)[nH]1 52779043 UZHJQPUIWQHKBZ-LBPRGKRZSA-N 362.393 2.452 0 40 FEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc[nH]c1=O 21924330 AHPCTZLKMGMMLY-UHFFFAOYSA-N 367.327 2.495 0 40 FEAB CCC[C@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1 103084121 ABQWWDQYHLPSSF-TUAOUCFPSA-N 354.476 2.264 0 40 FEAB O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 41794465 WBCKMAFTCCETJL-MRXNPFEDSA-N 369.421 2.053 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)NCCc2c(F)cccc2F)C1=O 46732087 FEWXJYCDEXTLLH-LBPRGKRZSA-N 360.360 2.438 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(Cn2ncc3ccccc3c2=O)CC1 54548839 WHMGUYHISFGQHC-UHFFFAOYSA-N 358.442 2.343 0 40 FEAB CN(CCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 105679924 DHOOVEBSVZLIPQ-QZTJIDSGSA-N 371.481 2.194 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 12534293 JVUZUDJDHGVQNR-SJLPKXTDSA-N 358.486 2.213 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)c1C 24837137 KLQXXBJMPPZTBZ-INIZCTEOSA-N 367.449 2.429 0 40 FEAB COC(=O)c1csc(N2N=C(c3ccccc3)C[C@]2(O)C(F)F)n1 25183547 SUSZWEKANVHYGG-HNNXBMFYSA-N 353.350 2.498 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccc(C)cc2)c2nnn[nH]2)c(OC)c1 57525369 RJFMPSNIYUQFOM-MRXNPFEDSA-N 367.409 2.490 0 40 FEAB CNc1cc(N2CCC[C@H]2CNCc2nc3ccccc3n2C)ncn1 109070492 GFZQFAHBZAGTLZ-AWEZNQCLSA-N 351.458 2.164 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCN(C(=O)OCC)CC2)c1C 58141300 MXVCLNABGSJOLD-UHFFFAOYSA-N 365.430 2.113 0 40 FEAB CC(C)C(=O)N1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 48234813 GVFBLYRXADQIRQ-CQSZACIVSA-N 369.473 2.059 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 4090514 ZVMIQRBGSKEZLK-IRXDYDNUSA-N 350.374 2.071 0 40 FEAB biogenic Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nncn1C1CC1 39539964 ZMQPFJUTHWOSPD-ZDUSSCGKSA-N 373.482 2.465 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2c1c(=O)n(C)c(=O)n2C 5263235 ZEVJWFAFROPORP-UHFFFAOYSA-N 354.454 2.396 0 40 FEAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1S(=O)(=O)N1CCCC1 408697921 MURINJXGWFNZFM-CYBMUJFWSA-N 354.472 2.398 0 40 FEAB Cn1c(CNC(=O)CCn2cnc3sccc3c2=O)nc2ccccc21 14528585 LEXUPBQAGQGHGB-UHFFFAOYSA-N 367.434 2.051 0 40 FEAB Cc1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C(=O)NCC(C)C)c1 67776860 HKUBVBVVNKSIAM-AWEZNQCLSA-N 367.467 2.111 0 40 FEAB CCOc1cc(/C=C2\NC(=S)NC2=O)cc(Br)c1OC 15800492 UQJRBIISOODTOD-UITAMQMPSA-N 357.229 2.202 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)N3CCc4[nH]cnc4C3)ccc12 8764932 VZDPPMQYOQVWSV-UHFFFAOYSA-N 367.405 2.432 0 40 FEAB biogenic COCCn1cc(C(=O)Nc2ccc(OC)nc2)c2ccccc2c1=O 70666625 GJHUCZAJWHTHCO-UHFFFAOYSA-N 353.378 2.304 0 40 FEAB biogenic CC(=O)Cc1nsc(NC(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)n1 8021142 FFCGPQNMAJMZOG-NSHDSACASA-N 365.798 2.043 0 40 FEAB CCOc1ccccc1OCC(=O)Nn1c(C)nc2sccc2c1=O 18231676 QATNSRVGOLGMPN-UHFFFAOYSA-N 359.407 2.314 0 40 FEAB Cc1cccc(OCCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 8986830 GIDKYTCKQNCHBT-UHFFFAOYSA-N 370.405 2.039 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c(C)c1 9110601 VPWGMYFZEDJCLV-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB CC1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCC1 89919238 KBNQQIQMRVNPTC-UHFFFAOYSA-N 365.227 2.494 0 40 FEAB COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 9466647 GXXWOMJKPDOWCN-UHFFFAOYSA-N 374.422 2.074 0 40 FEAB CCOc1cc(/C=C/C(=O)NCC(=O)O)cc(Br)c1OCC 62715242 YTOQKTBAAJBUNQ-AATRIKPKSA-N 372.215 2.461 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 9498848 PIXMIASQLILJNX-YWZLYKJASA-N 373.453 2.253 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCc2ccccc2C1 9516301 RFIRQVLISNETPN-UHFFFAOYSA-N 355.438 2.216 0 40 FEAB CN1C[C@@]2(CCN(Cc3cccs3)C2)Oc2ccccc2S1(=O)=O 306136460 PUBRNZYJCKQKSN-QGZVFWFLSA-N 364.492 2.406 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)NCc1ccccc1-n1cccn1 36614782 XGZWMDBQQPCBMS-UHFFFAOYSA-N 367.381 2.251 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12 36612453 BOKWZXCAIFDZMU-UHFFFAOYSA-N 352.847 2.384 0 40 FEAB COc1cc(N)ccc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 70461928 INRFMEPBPFNFFK-UHFFFAOYSA-N 352.649 2.296 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 70655612 FCNILRFGRJVHAI-UHFFFAOYSA-N 370.390 2.169 0 40 FEAB O=C(c1cc(Br)cs1)N1CCN(c2nccs2)C(=O)C1 1565522710 XLTZFEJOMOITRS-UHFFFAOYSA-N 372.269 2.456 0 40 FEAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217630292 JZZCBCJCKRMGHI-VXGBXAGGSA-N 356.444 2.053 0 40 FEAB O=C1C[C@H](c2noc(-c3ccccn3)n2)CN1c1ccc2c(c1)OCO2 38671001 CSIDSSKRZJWSGW-NSHDSACASA-N 350.334 2.381 0 40 FEAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccc(F)cc1F 62006795 YHEICZGHUVXSHR-UHFFFAOYSA-N 366.393 2.170 0 40 FEAB CC(=O)N[C@]1(c2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)CCNC1 567898789 BMOXLNAXRXLIEI-LJQANCHMSA-N 370.478 2.044 0 40 FEAB COc1nn(C)cc1C(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098924 RGIJOWDXUJJJBH-UHFFFAOYSA-N 357.370 2.092 0 40 FEAB COc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225260223 JGASGPFUNVCLPS-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB O=C1COC2(CCN(C(=O)c3cccs3)CC2)CN1Cc1ccccn1 96049221 UXYXOKWSOUFOQM-UHFFFAOYSA-N 371.462 2.177 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)NCCn1cnc2ccccc21 96116696 CHGAKFDDDLPCKH-UHFFFAOYSA-N 362.393 2.230 0 40 FEAB N[C@@H]1CC[C@@H]2CN(C(=O)c3occc3CN3C(=O)Cc4ccccc43)C[C@H]21 579240827 DHOMATVXKYQBLK-DJIMGWMZSA-N 365.433 2.178 0 40 FEAB Cc1ccc(CN2Cc3[nH]nc(C(=O)N(C)Cc4ccccn4)c3C2)o1 96187528 VKTJEJCBGNVTFF-UHFFFAOYSA-N 351.410 2.494 0 40 FEAB CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3cccc(C)c3)C2)C1 96209216 PWDBCGZYGANBAC-QZTJIDSGSA-N 352.500 2.058 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 95474108 CNCFNLTWBDGWDM-UHFFFAOYSA-N 367.453 2.187 0 40 FEAB O=C(c1cccnc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 96146998 KUPFJIORXBYLIB-UHFFFAOYSA-N 370.478 2.405 0 40 FEAB CC(C)CN1C[C@@H](C(=O)NCCCc2nc3ccccc3n2C)CC1=O 96223030 ZGFLOIZCDFTVSH-HNNXBMFYSA-N 356.470 2.127 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 247867568 PDLHYIKQVBCKRG-HNNXBMFYSA-N 369.421 2.395 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C 248069863 XCAGYPPXTZQIJT-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248127551 MEWHXNWQYANNPA-KRWDZBQOSA-N 355.438 2.319 0 40 FEAB CCn1cc(CN2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)c(C)n1 248034955 QTNIUTIWDCWOEA-CEXWTWQISA-N 354.498 2.458 0 40 FEAB Cc1cc(CN2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)n(C)n1 248010140 DFSVPHUMLOLOQP-IHPCNDPISA-N 356.470 2.177 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21 41197436 ATGKRJWBAQZMOY-MRXNPFEDSA-N 372.446 2.141 0 40 FEAB CC1(C)Cc2cccc(S(=O)(=O)NCc3nc(C(F)F)no3)c2O1 1261857189 CTVCKKVPBZLTHY-UHFFFAOYSA-N 359.354 2.199 0 40 FEAB CCSCCC(=O)NCC1(NC(=O)c2cc(C)[nH]n2)CCCCC1 1775986806 BJZXFOZYTVAZGE-UHFFFAOYSA-N 352.504 2.410 0 40 FEAB CN1CC[C@@](N)(c2nc(-c3ccc(OCc4cccnc4)cc3)no2)C1 643935969 RCCZCBJHDIXUSJ-IBGZPJMESA-N 351.410 2.200 0 40 FEAB O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 294053254 MKIVHOPJEDJXED-LBPRGKRZSA-N 364.442 2.407 0 40 FEAB CCc1oncc1C(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575406084 VIFHJFLQTJBWQU-HNNXBMFYSA-N 357.410 2.222 0 40 FEAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C 585098012 QJKHUZBFQUUTOV-ZDUSSCGKSA-N 356.426 2.213 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)c1 585112536 SACYYULJRQNZSF-GOSISDBHSA-N 374.510 2.220 0 40 FEAB O=C(CC1CC1)N[C@@H]1COCCC12CCN(C(=O)C1(F)CCC1)CC2 585103949 WLGLFESBELUKJA-OAHLLOKOSA-N 352.450 2.193 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(F)C3)C[C@H]2O1)NCc1cccs1 585109451 QCCDBHCWSFTGKZ-WFXBRLAISA-N 366.458 2.118 0 40 FEAB CN1C(=O)c2cccc(NS(=O)(=O)c3cnc(C4CC4)s3)c2C1=O 685938939 UGXFVWQKULILRP-UHFFFAOYSA-N 363.420 2.047 0 40 FEAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2 658051098 PXUNQCSLKPYFTQ-ZBQZNYHESA-N 356.474 2.277 0 40 FEAB O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N1CC[C@](CO)(c2ccccc2)C1 1641488158 UWWOMUXUTNHAHQ-UTKZUKDTSA-N 368.408 2.099 0 40 FEAB C[C@H](O)CNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156924 OAUCJDDAEYYUMY-XJKSGUPXSA-N 364.417 2.003 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCCCCC2)n1 12186077 KBTNQCBKRRQDBL-HNNXBMFYSA-N 357.458 2.224 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1 12337297 YEIHNPCHDIEKRX-CQSZACIVSA-N 366.425 2.096 0 40 FEAB O=C(c1ccncc1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406862 MMFXWMYDAONODJ-GFCCVEGCSA-N 358.352 2.477 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580518 VSBMFEHKPNCYFH-QWHCGFSZSA-N 372.462 2.150 0 40 FEAB COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 13668290 VADZJHQAMSGPJF-UHFFFAOYSA-N 360.435 2.148 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1 16691803 GCSSQDJTKGSXNK-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 19017137 KYMNDMKPGCYQRR-QGZVFWFLSA-N 351.454 2.156 0 40 FEAB O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19292320 XDWWVJPQIQGTCI-KRWDZBQOSA-N 366.469 2.092 0 40 FEAB Cc1c(C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)cnn1C 19553471 KPBSUNSUVONPPW-UHFFFAOYSA-N 350.426 2.294 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2 19740390 DSORTIDKTYJFEL-OAHLLOKOSA-N 360.458 2.030 0 40 FEAB COc1cc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c(OC)cc1Cl 19937515 MYHTXFFRFLPWIU-UHFFFAOYSA-N 351.790 2.239 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)no1 1888888243 UBLWCTHTGJDHEV-OKILXGFUSA-N 351.410 2.078 0 40 FEAB CCn1cnc2c(N3CCN(c4ccnc(C(C)C)n4)CC3)ncnc21 1888888371 GJZTYOQNOVKTHA-UHFFFAOYSA-N 352.446 2.086 0 40 FEAB Cc1cc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nccn2n1 1889136208 BPDPGYMNZCXYAM-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB O=C1CS[C@H](c2cccc(Br)c2)N1CCN1CCOCC1 19898645 YOOYFGXHSWKASC-OAHLLOKOSA-N 371.300 2.355 0 40 FEAB CCCCn1nc(C(=O)Nc2ccccc2C(=O)NCCC)ccc1=O 23654494 XGFHUMDHSQHLTH-UHFFFAOYSA-N 356.426 2.436 0 40 FEAB COc1cccc(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)c1 20140925 MDYSRELNQJANOY-UHFFFAOYSA-N 364.453 2.052 0 40 FEAB Cc1nc(CN2CC[C@@H]3CN(C(=O)c4cncnc4)C[C@@H]3CC2)cs1 2056223623 WVWHBDZYZQCOBF-GASCZTMLSA-N 357.483 2.226 0 40 FEAB COc1ccc(CC(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 16953629 ILALQNMCMMKONG-FQEVSTJZSA-N 354.450 2.427 0 40 FEAB CC(C)(C)c1nnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086856784 NBOHAJRPSVUXIK-NSHDSACASA-N 374.457 2.299 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)CSCc1ccccc1)C2 618256727 LQAVECYMVUNAJT-MRXNPFEDSA-N 356.495 2.450 0 40 FEAB Cc1cc(-c2noc(CNC(=O)c3cccc(-n4cccn4)c3)n2)no1 225813286 NNPCQLDAWSZYGH-UHFFFAOYSA-N 350.338 2.149 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)cc1OC 102450605 MWXXGCAQZCPRBJ-STQMWFEESA-N 371.393 2.429 0 40 FEAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccco3)n2)c1 40266778 QQIFXYKWEQNZHS-UHFFFAOYSA-N 356.338 2.130 0 40 FEAB COc1cc2[nH]c3c(=O)n(CCN4CCCCC4)cnc3c2cc1OC 20232302 GYCPRXROFPYQBM-UHFFFAOYSA-N 356.426 2.381 0 40 FEAB COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842942 UNXQTYPVZVWGHD-GFCCVEGCSA-N 374.418 2.260 0 40 FEAB CNS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc23)ccc1C 1431623 ABQMPFKFBYVSKA-UHFFFAOYSA-N 367.434 2.469 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCCC3)c2c1 32089100 BTFMMAPTYJAZKA-DKFQHHCZSA-N 371.393 2.359 0 40 FEAB CC(C)C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)O 2889408 NMALASXKVMXDBK-ZDUSSCGKSA-N 362.407 2.183 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)OC)cc2)C1=O 6879637 BPPHCGXOMTYKGG-LCYFTJDESA-N 362.407 2.036 0 40 FEAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102346889 DWNPCGOXOJWVSG-VDUILEQBSA-N 360.435 2.187 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NC(C)C 8475850 WCZWRAGZVNHZRV-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](CCC(=O)O)C(F)(F)F)cc1 8492469 TYQRSHIVHFQDNS-SECBINFHSA-N 355.334 2.017 0 40 FEAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccccc2)c(=O)c1=O 22726059 ZHMPNHDZBNLHST-UHFFFAOYSA-N 365.389 2.037 0 40 FEAB COCCn1nc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1=O 21923413 QGVBOBYBJRMMCC-UHFFFAOYSA-N 357.454 2.459 0 40 FEAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(C)C)CC1 9064318 MVHJWCCIZQPLOX-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB O=C(CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)Nc1ccc(F)cc1 103427540 NTSXWIHXTXOCLY-MPGHIAIKSA-N 359.445 2.345 0 40 FEAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 54224042 GBWJUBACLCACNA-ZFWWWQNUSA-N 372.498 2.052 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23686211 IQCROSBKVUVYSS-RDTXWAMCSA-N 361.467 2.219 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)Cn2nc(C)cc2C)cc1 56071941 JAYDZMDGSGGWDA-GFCCVEGCSA-N 364.471 2.073 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccc1Cl 61717753 FUCPOJVSRDTFRM-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB COc1cc(C(=O)OCC(=O)NC(=O)c2ccco2)ccc1OC(F)F 10214939 AGOKECURFBZCTG-UHFFFAOYSA-N 369.276 2.003 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12520876 RGENSEVFBNUNBP-UHFFFAOYSA-N 354.453 2.176 0 40 FEAB COC(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 58218922 DAHRFHDEQVYKDP-UHFFFAOYSA-N 362.817 2.486 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccco1 58307078 IMRTWKDYDPRLPJ-MRXNPFEDSA-N 364.467 2.496 0 40 FEAB C[C@H](NC(=O)CSC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 58342922 OEEXQKJXMTYSAS-QMMMGPOBSA-N 356.391 2.488 0 40 FEAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NC[C@H]5CCCO5)nc4c3c2C1 2201112 REVSSVQOXSKYHU-GHMZBOCLSA-N 371.466 2.373 0 40 FEAB CN(C)C(=O)CN(CC(=O)NCc1cc(F)cc(F)c1)c1ccccc1 80746658 CMBOCWLGYAXWCV-UHFFFAOYSA-N 361.392 2.176 0 40 FEAB Cc1ccccc1SCC(=O)OCC(=O)Nc1sccc1C(N)=O 3456039 WJUIJLSMCGETAY-UHFFFAOYSA-N 364.448 2.429 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)o2)cc1 3550807 VQUZKGPMARUURO-UHFFFAOYSA-N 364.427 2.462 0 40 FEAB CC[C@@H]1CN(CN2C(=O)C(=O)c3c(Br)cccc32)CCO1 13008013 HBZYKUCGAGSBRJ-SNVBAGLBSA-N 353.216 2.047 0 40 FEAB CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 69114527 DNYOJFFDJNDMGF-DOTOQJQBSA-N 362.499 2.266 0 40 FEAB C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)NC(N)=O 4364173 CRCPTZNQHCIRLX-ZCFIWIBFSA-N 371.216 2.175 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c(OC)c1 8217659 TUZRAYBBSWRUNK-OAHLLOKOSA-N 354.406 2.373 0 40 FEAB COc1ccc(C(=O)COC(=O)c2cnccn2)cc1Br 4510575 GYABKERWHRHFKP-UHFFFAOYSA-N 351.156 2.287 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1C 4548110 QMZZHUJBTCAXMX-UHFFFAOYSA-N 372.377 2.401 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)c2nc(-c3ccccc3)oc2C2CC2)C1=O 81807424 ZJLDSLXTYQRWCS-CQSZACIVSA-N 367.405 2.485 0 40 FEAB C[C@H]1CN(CN2C(=O)C(=O)c3c(Br)cccc32)C[C@H](C)O1 14201152 BMSGDBRIJCEWRX-UWVGGRQHSA-N 353.216 2.045 0 40 FEAB COc1ccc(-c2nc(NCc3ccccc3)n(S(C)(=O)=O)n2)cc1 4777298 XLCRGFOBEMQRRM-UHFFFAOYSA-N 358.423 2.374 0 40 FEAB COc1ccc(CCN(C)S(=O)(=O)N2CCCCCC2)cc1OC 14731069 UJODYANCLZDLEN-UHFFFAOYSA-N 356.488 2.299 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 5793784 YKBPUQJLVHMXRK-UHFFFAOYSA-N 358.463 2.450 0 40 FEAB COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 15437707 IESIHNVOJGIPAP-UHFFFAOYSA-N 366.414 2.393 0 40 FEAB CCN(CC)C(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 15768227 BIMOKIPMNNZVCE-UHFFFAOYSA-N 366.425 2.475 0 40 FEAB NC(=O)CCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 8729030 HSMQSKFGLYCLGX-UHFFFAOYSA-N 363.462 2.360 0 40 FEAB COc1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1-n1nnnc1C 92814425 RHDWLJLNVGERPZ-UHFFFAOYSA-N 369.429 2.263 0 40 FEAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1c(F)cccc1F 71283067 GTILBJXPKAPGJP-SNVBAGLBSA-N 354.305 2.201 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H]1Sc2ccccc2NC1=O 9314629 WMCHGAUTVXQNKO-GXTWGEPZSA-N 350.440 2.193 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1cccc(C(C)=O)c1 9384745 XWBLRCATJLEXEE-LJQANCHMSA-N 367.401 2.395 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](OCc3ccccn3)C2)cnn1-c1ccccn1 84045056 LVPOEVUJWXINEL-QGZVFWFLSA-N 363.421 2.402 0 40 FEAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)N1CCO[C@H](c2ccccc2)C1 77671039 IESWIJYXEWFHAR-PXNSSMCTSA-N 373.497 2.270 0 40 FEAB CN(C)c1cncc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)n1 534653365 BTFYVWDQIRUESN-SFHVURJKSA-N 351.454 2.034 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1C[C@H](C)C(=O)N2 36705533 AUUGVWSEVAVWHE-VIFPVBQESA-N 365.393 2.162 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1F 38754957 CWKLYCZPTWLFOB-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB COc1ccc2ccccc2c1CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1 563016599 KVIDBGCXFLYBPA-MRXNPFEDSA-N 367.409 2.250 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)C(C)C 225232801 ZZZXDJVMRNATIX-ZDUSSCGKSA-N 356.488 2.039 0 40 FEAB C[C@H](Nc1ccc2c(n1)CCC2=O)c1cccc(S(=O)(=O)N(C)C)c1 580504600 BFQNOFPOIQQQGJ-LBPRGKRZSA-N 359.451 2.634 0 40 FEAB CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccc(OC)cc1 224463170 QMUBQBXTMXDPMG-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB COCc1cnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1)[C@H]2C 96109573 HSIRIEBHPHYGGP-NSHDSACASA-N 355.847 2.448 0 40 FEAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2CCOCC2)Oc2ccccc2N1CC1CC1 96111969 QQLROJAFNLGUCQ-WMZOPIPTSA-N 370.449 2.218 0 40 FEAB biogenic,in-vitro CN(C)C(=O)CN1CCC2(CC1)C[C@H](NC1CCOCC1)c1ccccc12 96241456 YSJGBKGCPNLRHL-FQEVSTJZSA-N 371.525 2.322 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@H](CCNC(=O)C2CC2)C1 248130261 JYDMSXDCSCYLHQ-QGZVFWFLSA-N 354.454 2.365 0 40 FEAB N[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242575087 NRGBSPNZFPBLLU-SQWLQELKSA-N 369.801 2.201 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515250 IAIHLIFPOLPONP-BFYDXBDKSA-N 366.822 2.343 0 40 FEAB CN(C)S(=O)(=O)N1CC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257297582 RHYDWDPTEJKJEG-CYBMUJFWSA-N 353.419 2.000 0 40 FEAB CC1CCN(c2ccc(CNC(=O)N3CCNC[C@H]3C(C)C)cn2)CC1 529283967 CEXFCPOTYYKOTM-SFHVURJKSA-N 359.518 2.457 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1OC 257201911 AJPSMQZIYGPQDM-XLIONFOSSA-N 373.497 2.159 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)n1 257250160 JLHKCBKWXXOJNV-MRXNPFEDSA-N 357.385 2.261 0 40 FEAB O=C(Nc1cccc(CNc2ncnc3nccnc23)c1)[C@@H]1CCCO1 677001038 GWWKYPWMBGBBJZ-AWEZNQCLSA-N 350.382 2.149 0 40 FEAB Cn1c(O)nc2ccc(C(=O)Nc3ccccc3CN3CCNC3=O)cc21 622486718 ZZAAOMDOVTXRKA-UHFFFAOYSA-N 365.393 2.056 0 40 FEAB CCn1cc(O[C@@H]2CN(c3nccc4c(OC)cccc34)C[C@H]2O)cn1 624421560 YWPAVQRHOYIZAJ-SJLPKXTDSA-N 354.410 2.088 0 40 FEAB O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)NC1C2CC3CC(C2)CC1C3 642643948 NYJUZHRQJCOFPI-XUDJVZEPSA-N 373.541 2.166 0 40 FEAB O=C(N[C@@H](C(=O)O)C1CCOCC1)c1cccc(OCc2cccnc2)c1 668307459 GFZXJXZEAYPJGM-GOSISDBHSA-N 370.405 2.270 0 40 FEAB O=S(=O)(N1CC2(C[C@@H](OCc3cccnc3)CS2)C1)C(F)(F)F 575405742 ZQLDAVQISXJBOV-LLVKDONJSA-N 368.402 2.008 0 40 FEAB CCCCNC(=O)[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 55029215 WEEUHHVRJLXKRC-HNNXBMFYSA-N 352.523 2.388 0 40 FEAB Cc1c(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)oc2ccc(Cl)cc12 643995029 VXXDWWVYEMQBII-QGZVFWFLSA-N 350.802 2.237 0 40 FEAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 8116173 IJOBQWYUKGRIID-MHWRWJLKSA-N 369.352 2.366 0 40 FEAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3nonc3C)CC2)on1 12118353 XTAYJDSTGQVSAN-UHFFFAOYSA-N 368.397 2.460 0 40 FEAB COC(=O)[C@H]1CN(C(=O)Cc2ccccc2O)C[C@@H]1c1ccc(F)cc1 12157304 OEKXGMHLODNZML-SJORKVTESA-N 357.381 2.489 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)c2nccnc21 12365139 BWDAGQOIEXROJZ-CYBMUJFWSA-N 369.400 2.287 0 40 FEAB CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccco1 12921051 KPKHSLOQTVJGMS-HNNXBMFYSA-N 363.845 2.472 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2C2CC2)on1 13226147 SAICZNNCSUBOAT-UHFFFAOYSA-N 370.434 2.462 0 40 FEAB CC(=O)OCC[C@H](C)OC(=O)CCCCC(=O)O[C@H](C)CCOC(C)=O 17327200 DFTILXVMSQZFGY-OKILXGFUSA-N 374.430 2.317 0 40 FEAB CCCC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19501490 QBHAFGJITTYYQX-NRFANRHFSA-N 367.449 2.174 0 40 FEAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19521213 ULLKKDLNDSHQIJ-AWEZNQCLSA-N 369.469 2.343 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 10454903 JCJNZRRROBTRGT-MRXNPFEDSA-N 369.465 2.221 0 40 FEAB Cc1cc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)n2ncnc2n1 1888881933 UEIKUVHUUKDGLH-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB O=c1c(=O)n2c(nn1Cc1ccc(Cl)cc1)N(c1ccccc1)CC2 8848813 QCZCCRVHVSWOMN-UHFFFAOYSA-N 354.797 2.258 0 40 FEAB COCCNC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 8865110 KIDIAKKACYARER-UHFFFAOYSA-N 372.446 2.237 0 40 FEAB CC(C)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071368 KZAULJCXYJXFGF-UHFFFAOYSA-N 373.844 2.067 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)C2CC=CC2)CC1 2055754797 VRONXZNVEXZORN-UHFFFAOYSA-N 371.481 2.189 0 40 FEAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccc3[nH]ccc23)CC1 2055746302 MGAOABODFMMNKC-UHFFFAOYSA-N 366.469 2.094 0 40 FEAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)on1 40057180 TYMQOTPKYKEHDH-LBPRGKRZSA-N 351.428 2.018 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2nn(-c3ccccc3)nc2C)no1 17015685 OXHUEUJRILYAFK-LBPRGKRZSA-N 355.354 2.056 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1F)CC(=O)N2 31809227 XZUPYEKAKIQRDS-LLVKDONJSA-N 363.356 2.460 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4085252 KFPISKGRZHKJSV-XJKCOSOUSA-N 362.451 2.260 0 40 FEAB biogenic COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 101723067 CEWPSCCDSLVLHJ-GFCCVEGCSA-N 353.378 2.278 0 40 FEAB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC[C@H]1CCCO1 21105461 LWWZSLCQYCBEHQ-MRXNPFEDSA-N 357.406 2.302 0 40 FEAB Cc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1C 100334665 QFWSGULJIYKXEM-BFYDXBDKSA-N 350.484 2.374 0 40 FEAB O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCN2CCC[C@H]2C1 2791000 WYLJAASOSNQFBG-INIZCTEOSA-N 365.412 2.456 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 52782016 XROZCPBDABCJPS-CQSZACIVSA-N 368.480 2.116 0 40 FEAB O=C(c1ccncc1)N1CCO[C@H]2CCN(Cc3cccc(F)c3F)C[C@@H]21 108525971 VGWLFCHYFUGZGI-ROUUACIJSA-N 373.403 2.475 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 61123912 BHOQWETVAPIARQ-LLVKDONJSA-N 369.352 2.096 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCC3)C2=O 23040837 LOWWEYRRJQNGCY-BTDLBPIBSA-N 362.455 2.071 0 40 FEAB CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1 950369 QOVAXAIKSPVGIH-UHFFFAOYSA-N 362.436 2.242 0 40 FEAB O=C([C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1)N1CCOCC1 25006700 BDRQFVZZIJXDRE-AWEZNQCLSA-N 366.421 2.451 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3cccc(Cn4ccnc4)c3)cc2C1=O 25178020 JRUYOBZKNIFDOR-UHFFFAOYSA-N 360.373 2.410 0 40 FEAB C[C@@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1ccccc1 25593445 KWPXTIBNKPIUAQ-CQSZACIVSA-N 359.451 2.112 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)c2cccs2)CC1 35436256 IBRZJDIVYNJBKU-OAHLLOKOSA-N 369.490 2.484 0 40 FEAB O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnn(-c2ccccc2F)c1 57555649 RPWXHLUMSLPHNI-HNNXBMFYSA-N 373.359 2.320 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)cc1 27624373 YBUUVZQINCZHRL-UHFFFAOYSA-N 366.483 2.253 0 40 FEAB O=C(CCc1cccc(Cl)c1)N1CCN(C(=O)c2cnccn2)CC1 58223505 GYFOHNYBNUYTTM-UHFFFAOYSA-N 358.829 2.047 0 40 FEAB Cc1cc(S(=O)(=O)N(C)c2ccccc2F)ccc1OCC(=O)O 58390662 UWLZGFPJZZRVCP-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 58357080 HFZXWYBZOQJKLM-CYBMUJFWSA-N 369.421 2.202 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3cccnc23)cc1 10912772 NCRHXJRPVIATPA-UHFFFAOYSA-N 355.419 2.454 0 40 FEAB COc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1OC 12756507 VMZSTSNXMUHJTI-UHFFFAOYSA-N 356.422 2.265 0 40 FEAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1 62345867 VPNBYJSPEGDFHC-MRXNPFEDSA-N 373.384 2.245 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)NCCN1CCN(C)C[C@@H]1c1ccccc1 48366545 NSYBLNQPKDYRCU-GOEBONIOSA-N 373.419 2.059 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)Nc1ccccc1 48364957 FBSINHKZFKBDAS-BPUTZDHNSA-N 359.426 2.141 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1Cl 3447337 CTQBSZDFZMIDCH-UHFFFAOYSA-N 364.814 2.377 0 40 FEAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306124651 BVUPKIIQCOLVGR-DLBZAZTESA-N 353.470 2.029 0 40 FEAB O=C(O)c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 13317189 HAAVBHGGNSCRNK-UHFFFAOYSA-N 352.390 2.437 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 4168904 UMRYQUBZRNBMRO-AQSOIDQJSA-N 366.461 2.367 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1F 6113567 UNCCLTSUSKXDOA-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 14016136 FKUDXUJAKWOJFK-BUXKBTBVSA-N 371.368 2.091 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 5568954 QKMAWQXFIFXDIW-UHFFFAOYSA-N 355.753 2.009 0 40 FEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NC(C)(C)C 18592072 FARFVMGLWQVSFV-LBPRGKRZSA-N 371.528 2.261 0 40 FEAB O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 66863149 UGTXQJCVBZGMRP-MRXNPFEDSA-N 371.412 2.473 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccco3)c2C(N)=O)C1 5856276 LHSSCDTUIVTURD-SECBINFHSA-N 362.407 2.360 0 40 FEAB O=c1[nH]c2ccccc2n1CCCSc1nnnn1-c1ccc(O)cc1 15421099 IFXYBESHWGALEY-UHFFFAOYSA-N 368.422 2.193 0 40 FEAB COC(=O)CCN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 7203793 FZRKGPOWZHJCPP-FQEVSTJZSA-N 352.390 2.240 0 40 FEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCC4)ncn3n2)cc1 15772658 VCONXZIPYXBALV-UHFFFAOYSA-N 365.437 2.179 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 60470014 XNSQNNSIBAQRAN-RLFYNMQTSA-N 360.454 2.187 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)cc1 9512136 RXWFSKKFRKDVFB-HXUWFJFHSA-N 373.453 2.202 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)nnn3C)C1 409140463 DUNWGRVVYOZQEG-ZDUSSCGKSA-N 358.446 2.081 0 40 FEAB CC[C@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@@H](C)O 89942087 YEXXFCRXNHHZFR-RDTXWAMCSA-N 370.515 2.081 0 40 FEAB CS(=O)(=O)NCc1ccc(C(=O)NCC2(c3ccccc3)CCC2)o1 84739166 DTQLMOZLXHCYKW-UHFFFAOYSA-N 362.451 2.181 0 40 FEAB c1ccc([C@H](NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 95466205 RQAHSMVLVHZAIK-FCEUIQTBSA-N 367.493 2.498 0 40 FEAB O=c1c2cccnc2ncn1Cc1cc2c(cc1Br)OCCO2 95947568 KQQIXCATMFQHBF-UHFFFAOYSA-N 374.194 2.374 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C)CC 95992955 XDBXTZRDBHFNIV-XGUBFFRZSA-N 369.506 2.299 0 40 FEAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCC3(C2)OCCO3)cc1 89694813 AVHANORBMBTTCL-UHFFFAOYSA-N 374.481 2.470 0 40 FEAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 21699796 MUYFTJGXZUBHQU-NSHDSACASA-N 351.827 2.343 0 40 FEAB CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 32484477 GHVUIFRNKXEYEJ-OAHLLOKOSA-N 352.500 2.389 0 40 FEAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(F)cc2)cc2c(O)nnc1-2 524732405 ZRIZFGSDZVWGPS-CYBMUJFWSA-N 359.313 2.078 0 40 FEAB C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)Nc2cnn(C)c2)C1=O 556516229 FYAXHWFLYCADHM-LRDDRELGSA-N 359.405 2.433 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cc3ccc(OC)cc3oc2=O)CC1 33809442 OVGBRBRATBGVCX-UHFFFAOYSA-N 359.378 2.217 0 40 FEAB CCOC(=O)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21 32071828 NIRCHUZJPMFUOT-UHFFFAOYSA-N 374.418 2.000 0 40 FEAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 49931985 JJCWMRAPYNKXPY-GFCCVEGCSA-N 374.890 2.279 0 40 FEAB NC(=O)c1cc([C@H]2CCCCN2C(=O)CSCc2ccccc2)n[nH]1 225553831 XUSCFOSTIHKNMX-MRXNPFEDSA-N 358.467 2.496 0 40 FEAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 224611335 YDRJZEGKHGMDJA-UHFFFAOYSA-N 352.500 2.099 0 40 FEAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2n(C)c1=O 96115376 MHJXWKQHRARBMB-ZDUSSCGKSA-N 369.373 2.201 0 40 FEAB biogenic O=S(=O)(Nc1cccc2c1C[C@@H](O)C2)c1cnn(Cc2ccccc2)c1 95407633 TWWNXFLZHFQDRX-INIZCTEOSA-N 369.446 2.192 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96049572 VLWHOMXWORAVAS-HXUWFJFHSA-N 352.438 2.236 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1cccs1)CC2 96205808 ZUIHXFQRYHATEB-AWEZNQCLSA-N 350.484 2.485 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)[C@H]1CC=CCC1 96044472 JXKPQKXDFDUYKE-YJBOKZPZSA-N 352.438 2.413 0 40 FEAB COc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1 96062506 KPOXHPLOKUFXOT-HXUWFJFHSA-N 354.454 2.214 0 40 FEAB Cc1nc2ccc(C(=O)N[C@@]3(CO)COc4ccccc4C3)cc2nc1C 529820492 QUOANKYYCVXAAF-NRFANRHFSA-N 363.417 2.343 0 40 FEAB CCn1nc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)cc1C 257204816 AWJVPDWLULVNBF-SFHVURJKSA-N 357.458 2.195 0 40 FEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596233 OSQUKUJNMBEZBW-ACRWPFGISA-N 370.449 2.190 0 40 FEAB O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CCOCC1 257302422 SCXFDDUXGYRNKI-RTBURBONSA-N 360.502 2.155 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257274927 NNGHFXUOAXFYJI-QGZVFWFLSA-N 359.401 2.266 0 40 FEAB COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc2c(c1)CCNCC2 261917811 IHGJQBVEAYPDFS-FQEVSTJZSA-N 365.477 2.170 0 40 FEAB CN(C)c1nccc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 607143432 KEMHOMPBUQJSPI-LBPRGKRZSA-N 360.849 2.446 0 40 FEAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ncc(C(=O)O)s1 621609640 QSRYPWBMRRZYQJ-SNVBAGLBSA-N 359.407 2.459 0 40 FEAB CC(C)(C)n1ncc2c(N)nc(N3CCC[C@H]([C@H]4CCCNC4)C3)nc21 656607545 OSMMDHZJHXSYKN-KBPBESRZSA-N 357.506 2.380 0 40 FEAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575422193 AIHHNAANLPPOBU-DGCLKSJQSA-N 365.904 2.316 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 585112062 KPVNCIZLEGUWDH-GOSISDBHSA-N 369.469 2.254 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cccn2C1 585099245 YQRFPGTYXOSUTM-KRWDZBQOSA-N 365.477 2.388 0 40 FEAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cccc(C(=O)O)c2)CCO1 585276231 DWDBTLTTZBADIJ-NRFANRHFSA-N 355.434 2.499 0 40 FEAB O=C(NCCCN1CCCCC1)C1CCN(C(=O)Nc2ccncc2)CC1 65986470 PLVXUZIIVAXUMA-UHFFFAOYSA-N 373.501 2.318 0 40 FEAB Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)C(=O)NCc2ccco2)c1C 1120485572 PEQSUYJISTYVQY-IAGOWNOFSA-N 360.454 2.239 0 40 FEAB Cc1ccccc1OCC(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1 85468253 OSSHXRHMPSMKNG-SFHVURJKSA-N 359.514 2.248 0 40 FEAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(C)n3N)n2)cc1 5993055 SEKGGLNVLZPPIR-UHFFFAOYSA-N 360.468 2.463 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)Cc3cccnc3)CC2)Nc2ccccc21 12086127 NRONTGCENDBSRZ-UHFFFAOYSA-N 364.449 2.464 0 40 FEAB O=C(Nc1cccs1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701074 LYKZYFLMDRBNIY-UHFFFAOYSA-N 369.454 2.417 0 40 FEAB COc1cc2ccccc2cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 14239818 DAHQVKIOHPTEKE-UHFFFAOYSA-N 370.430 2.426 0 40 FEAB CC(=O)N1CCC[C@@H](c2cc(O)nc(C3CCN(C(=O)C(C)C)CC3)n2)C1 19085234 NTACYLNUVJCJNG-MRXNPFEDSA-N 374.485 2.270 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)n[nH]1 19451825 KFDXGUBGENMYCX-KRWDZBQOSA-N 354.458 2.288 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590453 TZWLYBQABWRMCV-INIZCTEOSA-N 366.465 2.493 0 40 FEAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 6322477 GDUQTVPEKJOBBN-GXDHUFHOSA-N 355.350 2.135 0 40 FEAB O=C(NC1CCCCC1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701070 KYSDXMANOBBGBR-UHFFFAOYSA-N 369.473 2.166 0 40 FEAB CNC1CCC2(CC1)CN(C(=O)c1ccc(O)nn1)Cc1ccccc1O2 19591978 GBSHSGLHROIKDK-UHFFFAOYSA-N 368.437 2.118 0 40 FEAB COc1ccc(CCNC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 575415660 MWCMGKPCUSPAHN-SFHVURJKSA-N 361.486 2.038 0 40 FEAB O=C(NCc1cnc2n1CCCC2)[C@H]1CCCCN1Cc1ccncc1 1117136175 GHIDYHQLVOTRFE-GOSISDBHSA-N 353.470 2.285 0 40 FEAB Cc1ccccc1NC(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 2087061343 MJYDSPNKZBFYNY-GJZGRUSLSA-N 363.425 2.033 0 40 FEAB COc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)cc(=O)oc2c1 9705105 HPEABHOMDCYDHG-UHFFFAOYSA-N 367.357 2.389 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccccc2)c3=O)cc1 11027730 MHPSEYZDLDMCNV-UHFFFAOYSA-N 361.405 2.028 0 40 FEAB C[C@](O)(CNS(=O)(=O)c1cccc2nsnc12)Cc1ccsc1 618257254 SXJJBTUXBQCLNH-CQSZACIVSA-N 369.493 2.025 0 40 FEAB COc1cccc(C(=O)NCc2ccccc2CN2CCN(C)CC2)c1 40089772 CKVMEDAMKYWAJQ-UHFFFAOYSA-N 353.466 2.373 0 40 FEAB C[C@H]1CCN(C(=O)COC(=O)c2ccc[nH]c2=O)c2ccccc2S1 11424890 YINPNYBNFFHRCT-LBPRGKRZSA-N 358.419 2.449 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccncc1 3191446 JUFMMNJQBYQAHB-AWEZNQCLSA-N 364.357 2.446 0 40 FEAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1 6681450 DBCGPEDPHARBHS-UHFFFAOYSA-N 372.443 2.406 0 40 FEAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)NC(C)(C)C3=O)cs2)cc1 9389149 YOMNCQFUPHMTCW-UHFFFAOYSA-N 373.434 2.492 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCCCC2)C1=O 23642294 FWVTWVVUGNFMSS-UHFFFAOYSA-N 359.426 2.102 0 40 FEAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 56073255 TXUAZBSGTIARKT-VIFPVBQESA-N 366.361 2.003 0 40 FEAB O=C(Cn1nnc2ccccc21)NCC1(c2cccc(F)c2)CCOCC1 55450923 ZXGJLSXEEGRSBB-UHFFFAOYSA-N 368.412 2.435 0 40 FEAB O=C1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)c2cccc(F)c2N1 96013511 NFUKBAWBBXZRGV-UHFFFAOYSA-N 372.381 2.159 0 40 FEAB C[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106857933 FOMOBTUFVNFADX-ADHGMGHFSA-N 373.497 2.367 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)N3CCC(C(=O)NC4CC4)CC3)c2O1 56004863 ZVGRMSGOUDYUPK-UHFFFAOYSA-N 372.465 2.296 0 40 FEAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)NCCc1ccccc1 3237610 NHTFSSFRJNBUMO-UHFFFAOYSA-N 351.358 2.309 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 36079574 GMPOMJLBZZANNJ-OAHLLOKOSA-N 367.496 2.288 0 40 FEAB C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)(N(C)C)C1 58202185 UZZLSRPCZVEGNI-QINHECLXSA-N 361.486 2.255 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1OC 10549313 GWUBSFKUPZVWLC-UHFFFAOYSA-N 364.423 2.257 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)cn2)n1 48230745 KFFPXRABFMKEDJ-CYBMUJFWSA-N 353.382 2.234 0 40 FEAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 48203590 RXHAMKUIAAXFDQ-UHFFFAOYSA-N 370.428 2.352 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 3436890 MZVKOXLVRLYYKM-NSHDSACASA-N 371.345 2.371 0 40 FEAB COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc2c1OCCO2 13427848 LYOFOVFSQUSXOH-AWEZNQCLSA-N 357.362 2.412 0 40 FEAB NC(=O)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCCC4)c1=O 13735806 FJNAETIWTHOUME-UHFFFAOYSA-N 364.361 2.162 0 40 FEAB CCCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N(CC)CC)ccc21 6150573 HHMXSGCIGPVEPE-UHFFFAOYSA-N 367.471 2.494 0 40 FEAB NC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 8747978 JNWWNBWSSBCVGX-UHFFFAOYSA-N 358.463 2.429 0 40 FEAB CN1C(=O)N[C@H](c2ccccc2)[C@@H](C(=O)C(F)(F)F)[C@@]1(O)C(F)(F)F 14075020 ZGPMFRXWYBVRBN-YGOYTEALSA-N 370.249 2.381 0 40 FEAB O=C(O[C@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570163 WXSRVFPJIJODCD-HNNXBMFYSA-N 357.362 2.088 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2CCC(C)(C(=O)OCC)CC2)cc1 92546782 GQRYPPUNMFOXHQ-UHFFFAOYSA-N 358.438 2.294 0 40 FEAB COCCCn1c(S[C@H](C)C(N)=O)nc2cc(Cl)ccc2c1=O 5785890 BNYWPFAJUGUUMU-SECBINFHSA-N 355.847 2.052 0 40 FEAB O=C(CSc1nccc(=O)[nH]1)Nc1c(F)c(F)c(F)c(F)c1F 15587127 MNTUJPJTTQBLTP-UHFFFAOYSA-N 351.256 2.196 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)c2ccccc2O1 7253583 QMERMCFQFKJGEF-KRWDZBQOSA-N 357.385 2.086 0 40 FEAB COc1cccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 15634609 PQGIDUAZMFZSTM-UHFFFAOYSA-N 363.420 2.205 0 40 FEAB C/C=C/c1ccc(OCC(=O)NCc2nnc3ccccn23)c(OC)c1 7898712 ALXNXLZOINJCQN-ZZXKWVIFSA-N 352.394 2.466 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1C=CCC1 8170942 VWANOQHFUIMNPF-MRXNPFEDSA-N 357.454 2.276 0 40 FEAB O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9226782 GKZDWNLWHXUGOR-GOSISDBHSA-N 367.405 2.203 0 40 FEAB C[C@H]1CN(C(=O)c2cc3c(cc2Br)OCCO3)C[C@@H](C)O1 28048560 JQNPYNRDZWNKHA-AOOOYVTPSA-N 356.216 2.470 0 40 FEAB Cc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1O 97064063 WZIWNYAOFWOFFC-UHFFFAOYSA-N 357.429 2.392 0 40 FEAB Cn1ccnc1[C@](O)(CCNC(=O)c1cnccc1Cl)C(F)(F)F 95449125 LIJGGUHCTXHMFL-CYBMUJFWSA-N 362.739 2.039 0 40 FEAB Cc1ccc2nc([C@@H]3CCCN([C@@H](C)C(=O)NC(=O)NC4CC4)C3)[nH]c2c1 95446864 UCSYQELYEMEVNB-UONOGXRCSA-N 369.469 2.427 0 40 FEAB COC(=O)c1sc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)nc1C 79493938 UWSNIPVHPGBBSZ-UHFFFAOYSA-N 361.354 2.471 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3ccc(O)cc3)c(=O)c2cc1OC 32071404 MJQSQTUJPKLQNE-UHFFFAOYSA-N 369.377 2.148 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 34872636 MBCNILKFJNYBKB-QLFBSQMISA-N 358.438 2.315 0 40 FEAB COc1ccc(F)cc1CN1CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC1 188895503 QHFIGABIYNQEJM-KBPBESRZSA-N 353.438 2.085 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1cccc2ccccc12 70636198 IOMLDKATEUFWDJ-IBGZPJMESA-N 366.392 2.445 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO[C@H]2C)cc1 189822635 VAOHKZYMNYORKF-WMLDXEAASA-N 368.499 2.052 0 40 FEAB CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2csnc2C(=O)O)C1 567794249 QYCIHCVDIBRYAZ-IUCAKERBSA-N 350.487 2.136 0 40 FEAB Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 35267047 CKZUQBRBYFNPRZ-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB COc1ccc(CCNC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1 32889505 YURAYTHHCVRGAC-HZPDHXFCSA-N 363.502 2.425 0 40 FEAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)C1 72390895 SPJIOKCVKAZVEA-QGZVFWFLSA-N 364.449 2.401 0 40 FEAB CN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](n4ccnn4)C3)ccc21 563030296 YUUPNNLLHRDQRX-OAHLLOKOSA-N 354.414 2.056 0 40 FEAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 42646758 BKDYVNGSLDBJLR-UHFFFAOYSA-N 356.378 2.457 0 40 FEAB CN1CCC[C@]2(CCN(C(=O)NCc3nccn3CC(F)(F)F)C2)C1 576205384 SVVCTZKDFNDQPA-HNNXBMFYSA-N 359.396 2.073 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2cccc(C)c2)cc1 224343568 NWSUQAHFZMOXFF-UHFFFAOYSA-N 363.435 2.280 0 40 FEAB Cc1cc(NC(=S)NCCN2CCCC2=O)ccc1N1CCCC1=O 225812649 HISMHVIDTOKVBI-UHFFFAOYSA-N 360.483 2.031 0 40 FEAB CCS(=O)(=O)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 96080782 LWNVEVLPLKQOKF-ZIAGYGMSSA-N 362.417 2.419 0 40 FEAB O=S1(=O)NCC2(CCN(Cc3cccnc3)CC2)COc2ccccc21 96037119 CNTJONJEMBWNKC-UHFFFAOYSA-N 373.478 2.035 0 40 FEAB CCc1oc(C(=O)N2C[C@H](OC)C[C@H]2c2nnc3cnccn23)cc1C 583619223 YFNHXWIHSMZGIZ-OLZOCXBDSA-N 355.398 2.190 0 40 FEAB C[C@@H](NS(=O)(=O)c1sccc1Br)[C@@H]1CCCCN1 583652137 ZGSUHQPQTQSDIP-SCZZXKLOSA-N 353.307 2.320 0 40 FEAB CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1cnccn1)CC2 96199437 BQYXSSJGPMNZFH-INIZCTEOSA-N 350.422 2.097 0 40 FEAB O=C(C[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCC1 247863256 NLEUGXYPQLEFLU-LJQANCHMSA-N 354.454 2.079 0 40 FEAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 248087365 BMPFWCVFTRCHEW-INIZCTEOSA-N 352.438 2.092 0 40 FEAB O=c1c2sc(N3CCCC3)nc2ncn1C[C@H](O)CCc1ccccc1 585085084 BFFKFWOBKHHJPL-OAHLLOKOSA-N 370.478 2.447 0 40 FEAB Cc1cncc(C2CCN(C(=O)CCN(C)Cc3ccccn3)CC2)n1 257307439 SYQGZKWQGWOWQD-UHFFFAOYSA-N 353.470 2.408 0 40 FEAB CC1=NN(c2ccc(C(=O)N[C@]3(CO)COc4ccccc4C3)cc2)CC1 529820914 GURAYBJGZDDGRE-OAQYLSRUSA-N 365.433 2.369 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)c2c[nH]c(O)n2)N1 257272692 NDKZSVIUXSNJPA-KBMXLJTQSA-N 372.400 2.269 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](c2nnc(N)s2)C1 260927453 OAVKBLNILBOPNJ-NSHDSACASA-N 368.484 2.006 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1ccnc(C(F)(F)F)c1 1775957034 WPYKDJONXHRHSL-QWRGUYRKSA-N 357.336 2.384 0 40 FEAB COc1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c(C)c1 96099027 QNPGEKRANZUQLR-UHFFFAOYSA-N 363.361 2.197 0 40 FEAB C[C@@H]1CN(C(=O)NC2CCN(c3cccnn3)CC2)Cc2ccccc2O1 292673124 PCLTVJHXQSKVJK-OAHLLOKOSA-N 367.453 2.438 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@@](O)(COc3cccc(C)c3)C2)c1C 585275801 JSRFHDCLQVTOQW-FQEVSTJZSA-N 357.454 2.255 0 40 FEAB Cn1ccnc1CN1CC[C@@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 585177161 KCSZPUFMOVRWCR-CYBMUJFWSA-N 353.405 2.477 0 40 FEAB C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)[C@H]1CCCS1 585098384 XHXQKRKQEWYLBL-TZMCWYRMSA-N 359.455 2.051 0 40 FEAB COc1cccc(C[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)n2nnnc2C)c1 48302964 DNGWUGKGRFMWCW-IYOUNJFTSA-N 357.458 2.278 0 40 FEAB NC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1 56967031 KKEXVGITADUJPG-CQSZACIVSA-N 373.453 2.134 0 40 FEAB O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccnc2cc(Cl)ccc12 1122198179 DSFODGRZIGFAHD-CYBMUJFWSA-N 373.840 2.303 0 40 FEAB CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 64038833 NVRGGZAEVXFTMZ-GDBMZVCRSA-N 357.497 2.202 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)COC4)CC2)no1 64496803 UHPSCAKQQQVPPR-UHFFFAOYSA-N 355.394 2.048 0 40 FEAB O=C(CC(F)(F)F)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005165 KHAIDDGTZBBQCU-GFCCVEGCSA-N 350.362 2.372 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3ccnn3C)cc2n1 12161348 OEKJMMSONAYBIY-CQSZACIVSA-N 354.414 2.098 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1F 13582836 UAWZBBOMSFQOKA-UHFFFAOYSA-N 352.387 2.482 0 40 FEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccn3)n2)cc1 15674698 LXCKIDKPXDENMV-WBVHZDCISA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 15880139 WGGUPBUIPQOTRG-UHFFFAOYSA-N 365.480 2.177 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 19018566 GPEAIUIJPWTYSD-SFHVURJKSA-N 368.412 2.498 0 40 FEAB COCCNC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2 19593458 QWYOBAZJUBVAAZ-UHFFFAOYSA-N 366.845 2.154 0 40 FEAB COc1cc(OC)cc(N2C[C@@H](C(=O)NCc3cccc(C)n3)CC2=O)c1 531219951 SRMLYBBCZHAZTI-AWEZNQCLSA-N 369.421 2.077 0 40 FEAB O=S(=O)(NCC1(Cc2ccc(Br)cc2)CC1)c1cnc[nH]1 657151967 FFCONXNOJBLQKE-UHFFFAOYSA-N 370.272 2.473 0 40 FEAB CC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 29434689 IDSDGSRQJHEGEC-UHFFFAOYSA-N 361.423 2.254 0 40 FEAB CCOC(=O)[C@H](C[C@H](C(=O)OCC)c1c[nH]c2ccccc12)NC(C)=O 40435243 XELKUJCVXJPLMM-YOEHRIQHSA-N 360.410 2.273 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cn1 37503983 JRRTYZMURDJNEC-UHFFFAOYSA-N 355.213 2.500 0 40 FEAB C[C@]1(C(=O)N2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)CC=CCC1 1614932377 BSYUZXLHXVJJON-FLTJSSMESA-N 369.465 2.488 0 40 FEAB CCc1cnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)nc1 2086964129 XTYFEJZJIOCHIR-IYBDPMFKSA-N 350.470 2.199 0 40 FEAB CCc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cn1 1565555710 GAQRJWIQFJBUKE-PKOBYXMFSA-N 355.438 2.210 0 40 FEAB CC(C)N(C)CC(=O)N1C[C@@H]2C[C@@H](COc3cncc(Cl)c3)O[C@@H]2C1 1565553642 GSUKLXUUWHUUOK-RRQGHBQHSA-N 367.877 2.070 0 40 FEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)OCO2 23106276 PBNDKAXAQDSHLO-QGZVFWFLSA-N 372.396 2.358 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)NCc1nccnc1-c1ccncc1 618256251 FPPIIQYSSGJABR-UHFFFAOYSA-N 363.377 2.267 0 40 FEAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C1 2332241741 ZFSGPUNHXNNDEK-NUEKZKHPSA-N 371.485 2.427 0 40 FEAB Cc1cc(CN2CCN(c3cc(C)nc(-c4cccnc4)n3)CC2)on1 40154933 KYPDSUSIYPOXLA-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC(OCc3ccccc3)CC2)c(=O)[nH]1 31413807 RDCRTGJEEGFKNH-UHFFFAOYSA-N 355.438 2.137 0 40 FEAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)n([C@H]2CCS(=O)(=O)C2)n1 50821640 LUZQKFXTFFJTME-ZDUSSCGKSA-N 351.403 2.251 0 40 FEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccccc1 28914830 LFSFGYMMLMBFNR-OAHLLOKOSA-N 352.438 2.188 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NCc1cnn(-c2ccccc2)c1 11560860 INMPMULAFDRONL-UHFFFAOYSA-N 352.369 2.058 0 40 FEAB CC(C)(C)n1nnnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11576278 DQYNHVOQJXGTEW-UHFFFAOYSA-N 374.470 2.051 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N2C(=O)c3nn(-c4ccccc4)cc3[C@H]12 101459141 BUXQDKGFVGOXET-OAHLLOKOSA-N 368.418 2.094 0 40 FEAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29539324 NLXJPMACXAHMLG-IAGOWNOFSA-N 357.385 2.135 0 40 FEAB C[C@]1(c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)NC(=O)NC1=O 32818915 PZLVSFOOAUHANN-IENJSVCTSA-N 371.418 2.154 0 40 FEAB CCOC(=O)/N=c1/ss/c(=N/C(=S)N(C)C)n1-c1ccccc1 104276874 OCCPLNGXISLYIY-WSGPNKEYSA-N 368.509 2.405 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1 33005363 OEXOEBKGOZBPTC-ZDUSSCGKSA-N 366.845 2.262 0 40 FEAB Cc1ccc2nc(CSc3nnc(-c4ccccc4)n3N)cc(=O)n2c1 2621117 WISNNIQGMRZPJJ-UHFFFAOYSA-N 364.434 2.268 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1nc2ccccc2[nH]1 25051246 SJPKORVDVAYXSL-UHFFFAOYSA-N 361.405 2.091 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@H](C)O1 41883588 HYPFNSLQQNFMRS-GJZGRUSLSA-N 362.445 2.243 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)OCCO2 22375426 GOASLRSDKSPNIC-UHFFFAOYSA-N 360.454 2.223 0 40 FEAB Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)ccc1Br 102352662 ABKXHKWZXOKMGN-CYDGBPFRSA-N 352.184 2.350 0 40 FEAB O=C(NCc1ccccc1)NC1(C(=O)NCCN2CCCCC2)CCCC1 53514485 WLDDRJCZDPZKIK-UHFFFAOYSA-N 372.513 2.401 0 40 FEAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 889649 CZOJWLABQOLSFT-UHFFFAOYSA-N 367.858 2.126 0 40 FEAB Cn1nc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)ccc1=O 24028462 YPQKDRAAQIZSAU-UHFFFAOYSA-N 354.391 2.346 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 24242948 VTCRGVGWODNFLT-KRWDZBQOSA-N 355.482 2.435 0 40 FEAB COc1ccc(S[C@H](C)C(=O)NCCCN2CCOCC2)cc1OC 20451910 QRMVOJMVRRUHCP-CQSZACIVSA-N 368.499 2.023 0 40 FEAB COc1ccc(NC2=N[C@H](c3ccncc3)n3c(nc(C)cc3=O)N2)cc1 104017339 FUCVOSMMKMLZRF-KRWDZBQOSA-N 362.393 2.396 0 40 FEAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C(F)(F)F)N1CC(C)C 16756483 HYIDWLMKMUVYDP-UHFFFAOYSA-N 359.373 2.136 0 40 FEAB CS(=O)(=O)c1ccc(NCc2ccccc2F)c(S(C)(=O)=O)c1 12534579 KVCQBSULXDSXQJ-UHFFFAOYSA-N 357.428 2.245 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCC1CCCC1 58283383 WIJJPTFMMSUKOW-UHFFFAOYSA-N 374.485 2.395 0 40 FEAB CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 58202067 RIJSXEHCVOHSDG-ZDUSSCGKSA-N 371.890 2.286 0 40 FEAB O=C(NCCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1c[nH]c2ccccc12 58445974 DUZDHGITBAWCSX-QZTJIDSGSA-N 355.438 2.458 0 40 FEAB Cc1ccnc2nc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)nn12 3363225 LNEIODLLFWMGDG-UHFFFAOYSA-N 367.409 2.027 0 40 FEAB Cc1ccc(N2C(=O)N(C[C@H](O)COCc3ccco3)C(=O)[C@H]2C)cc1 48234428 YXKDRWFCYBDORH-ZBFHGGJFSA-N 358.394 2.323 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 48277942 GMYDGPGWMMQGRG-GOSISDBHSA-N 373.478 2.151 0 40 FEAB CN1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@@H](c2ccccc2)C1 48263244 HLKRIWOXJSSEOV-GOSISDBHSA-N 358.486 2.134 0 40 FEAB O=C(NC1CCCCCC1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 12986722 KSQXWOIPEUUIMS-UHFFFAOYSA-N 369.347 2.427 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1nn(C)c(=O)c2ccccc12 3525049 GKNMNNMGGCTFBL-UHFFFAOYSA-N 366.377 2.153 0 40 FEAB COC(=O)c1ccccc1NC(=S)N1CCN(Cc2ccncc2)CC1 13689244 BXUAVTLHQHMMJN-UHFFFAOYSA-N 370.478 2.383 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 17154348 FCNJTBMGJKQUHQ-UHFFFAOYSA-N 351.406 2.223 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](COc4ncccc4F)CCN3C)C2)no1 306131130 JXJUIJDKTRHZKX-AWEZNQCLSA-N 374.416 2.133 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@H](C)[C@@H](C)C1=O)c1ccc(Br)cc1 175067616 IRXZEPJFEKWJDT-MXWKQRLJSA-N 367.243 2.267 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O 4370376 BPSYFUDSEYLWOQ-UHFFFAOYSA-N 351.410 2.084 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1 6426404 NRVVWGKPGWPRJY-CQSZACIVSA-N 368.499 2.319 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1cccc(Cl)c1 14167922 GXXDTGAVQNDACD-LLVKDONJSA-N 350.854 2.245 0 40 FEAB CCN(Cn1nc(-c2ccco2)n(CC)c1=S)[C@@H]1CCS(=O)(=O)C1 14121754 FTTFENORFIUKJE-GFCCVEGCSA-N 370.500 2.160 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 14167219 DOGQAWNUJDZJNL-UHFFFAOYSA-N 350.465 2.203 0 40 FEAB COc1cc2c(cc1OC)-c1cc(N3C[C@@H](C)O[C@H](C)C3)nc(=O)n1CC2 5500152 ULRPIJTWYGTVSK-CHWSQXEVSA-N 371.437 2.097 0 40 FEAB biogenic CC(C)[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NC(N)=O 5891523 BFSQFTONWHEGJS-NSHDSACASA-N 353.835 2.232 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NC(=O)Nc1ccccc1F 5988887 BTJPFIBHEMXEGO-UHFFFAOYSA-N 374.324 2.102 0 40 FEAB CCCCn1c(N)c(N(C)Cc2ncc(-c3ccccc3)o2)c(=O)[nH]c1=O 8988439 KHFUSVKSFMQGDH-UHFFFAOYSA-N 369.425 2.210 0 40 FEAB COC[C@H](C)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113511 VCRVTKGZJSWKCM-LBPRGKRZSA-N 373.478 2.370 0 40 FEAB COc1cccc(Cl)c1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 93843249 NQAGBLPJPXXKSY-HNNXBMFYSA-N 365.905 2.477 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 9503959 AGTUKGWKHFUFPG-VLIAUNLRSA-N 371.437 2.007 0 40 FEAB Cc1nsc(N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)n1 72308863 QIWCVWWVJJRXJO-QGZVFWFLSA-N 371.510 2.332 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCN(Cc2nccn2C(F)F)CC1 98135323 UZIDMEJTBCWPMT-UHFFFAOYSA-N 370.425 2.175 0 40 FEAB CCc1noc(CC)c1CNC(=O)c1ccccc1NS(=O)(=O)CC 79070752 SPOJWTIBGIZYKQ-UHFFFAOYSA-N 365.455 2.491 0 40 FEAB CCNC(=O)N1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 95955976 ZSBKDNVQCWXXQE-UHFFFAOYSA-N 371.460 2.347 0 40 FEAB O=C1[C@@H]2C[C@H](O)CCN2C(=O)CN1Cc1csc2ccc(Cl)cc12 65393443 RIBUJFWQHNTMDO-OCCSQVGLSA-N 364.854 2.249 0 40 FEAB COc1cc(/C=C/C(=O)NCCC(=O)O)cc(Br)c1OC 62714907 VJJLXDYIHNFBEF-ONEGZZNKSA-N 358.188 2.070 0 40 FEAB CCn1ccnc1CN(C(=O)c1ccc(CN)cc1)[C@@H]1CC12CCNCC2 502682415 VTXWMJFCWCGFAI-GOSISDBHSA-N 367.497 2.146 0 40 FEAB COCCN1CC[C@H](NC(=O)c2ccc(N(C)c3ccccc3)nc2)C1 520767264 INDZICMZKOQCDP-KRWDZBQOSA-N 354.454 2.300 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218499912 CGAXNVHIDJRLBD-RYRKJORJSA-N 363.410 2.026 0 40 FEAB O=C(Nc1cccc2nsnc12)[C@H]1COCC(=O)N1Cc1ccccc1 70641306 OIHDXWCKJLRITQ-OAHLLOKOSA-N 368.418 2.057 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1ccc(Cl)cc1 36602100 PHDMOJJRERCRLW-OAHLLOKOSA-N 357.797 2.097 0 40 FEAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)Cc1cccc(C(=O)O)c1 566173555 NPLPJCPMOSFMNL-JTQLQIEISA-N 352.412 2.213 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217524573 KHMFRIDFLWNJSU-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB COC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 47407051 HMRVADRLNNUMRF-UHFFFAOYSA-N 357.406 2.448 0 40 FEAB CCOc1ccc(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)cc1 225881985 SCLFYZBYCOTHPP-UHFFFAOYSA-N 369.468 2.498 0 40 FEAB O=C(NC[C@]1(O)CCOc2ccccc21)c1cc(=O)c2ccccc2o1 75158133 DQOQTUWUODRKBJ-HXUWFJFHSA-N 351.358 2.193 0 40 FEAB biogenic COC[C@H]1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1 96206704 HBTSZTNKQGBXMC-QGZVFWFLSA-N 356.470 2.421 0 40 FEAB COc1ccccc1[C@@H](CC(=O)N1CCOCC1)c1oc(C)cc(=O)c1O 96115874 PVNUCDVBNBAUGD-OAHLLOKOSA-N 373.405 2.043 0 40 FEAB biogenic COC[C@H]1CC2(CCN(Cc3cccs3)CC2)CN1S(C)(=O)=O 96208606 QPOFGKTYISLBCX-CQSZACIVSA-N 358.529 2.011 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247857331 KZQYAEPRUFXBBA-INIZCTEOSA-N 370.428 2.278 0 40 FEAB Cc1nn(C)c2nc([C@]3(C)CCCN(C(=O)c4cnccn4)C3)ccc12 257341257 ZJNZMIIBQODDQO-LJQANCHMSA-N 350.426 2.261 0 40 FEAB Fc1cncnc1N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995839 LBMLYYYKGYAMMO-SNVBAGLBSA-N 368.210 2.464 0 40 FEAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1 644036208 JJWFMCOFCHVHHR-FQEVSTJZSA-N 358.438 2.461 0 40 FEAB CN1CCCC[C@H]1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112241 NGOUDZWVDVFEPT-RBUKOAKNSA-N 368.481 2.146 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 585285025 NFNGYGIRSZKUIO-AZUAARDMSA-N 374.868 2.068 0 40 FEAB O=C(c1ccnc(F)c1)N1CCOC[C@H]1c1nccc(N2CCCCC2)n1 585113128 GHPLWGHZLHXPDV-HNNXBMFYSA-N 371.416 2.215 0 40 FEAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 54506441 RHJSPJDYZSWFKL-UHFFFAOYSA-N 353.831 2.008 0 40 FEAB O=C(NCCC(=O)N(Cc1cccnc1)C[C@H]1CCCO1)c1ccccc1 55799054 YMLUOKBKXWDGHF-LJQANCHMSA-N 367.449 2.409 0 40 FEAB Cn1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)ccc1=O 68140525 WYGIXOYHHOAMCU-UHFFFAOYSA-N 358.785 2.061 0 40 FEAB CO[C@@]1(COc2cccc(F)c2)CCN(C2CCN(C(C)=O)CC2)C1 1615143424 GFYJIJRBKIPIIJ-IBGZPJMESA-N 350.434 2.306 0 40 FEAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 8091595 ZKCZZJFDXRVVMU-LFIBNONCSA-N 351.362 2.227 0 40 FEAB Cc1nc(COc2ccc(C(=O)OCC(=O)NCc3ccco3)cc2)no1 11261805 LGJTUCMUXVLHCB-UHFFFAOYSA-N 371.349 2.023 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12407202 HLANLXSXBNAVIX-INIZCTEOSA-N 366.400 2.108 0 40 FEAB CCCCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 13582157 HGQOXBDGNINDJI-UHFFFAOYSA-N 373.434 2.360 0 40 FEAB Cc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1C 17120404 CIWPWQUSMXWNRI-UHFFFAOYSA-N 352.442 2.176 0 40 FEAB COc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590618 UVTIZAXTTSPJSV-MRXNPFEDSA-N 366.465 2.032 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(C[C@H]4CC=CCC4)C[C@H]32)c(OC)n1 19594856 ZNXFENIQWHURQG-JTWUUNPKSA-N 359.470 2.380 0 40 FEAB CNc1cc(CN(C)C(=O)C2CCCC2)nc([C@H]2CCCN2C(C)=O)n1 19759831 AXDIJOILDLVWHE-MRXNPFEDSA-N 359.474 2.350 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@@H](C)O2)o1 619291146 WWEXLCUWVZPAFO-MLGOLLRUSA-N 355.398 2.106 0 40 FEAB O=C(NCCN1CCOCC1)c1nc(-c2ccccc2)n2c1CCCCC2 28836001 DPMKAXIGPOTUQH-UHFFFAOYSA-N 368.481 2.339 0 40 FEAB O=C(Nc1cc(O)n(-c2ccccc2)n1)c1cccnc1O[C@@H]1CCOC1 245093460 ROJXFHAYZUHEBM-CQSZACIVSA-N 366.377 2.393 0 40 FEAB COC(=O)[C@@](NC(C)=O)(Nc1nc2ccc(F)cc2s1)C(F)(F)F 9332255 NWAFINYAYXIPQO-GFCCVEGCSA-N 365.308 2.415 0 40 FEAB COc1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9844115 QTLMXLMNDSEZTA-UHFFFAOYSA-N 367.380 2.488 0 40 FEAB COCCNC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 11694999 IGNSNZSZLZXFRN-UHFFFAOYSA-N 350.465 2.423 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3c(F)cccc3s2)C1 13790449 PMSCZDROQIOFCP-SECBINFHSA-N 357.432 2.046 0 40 FEAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 38671332 JZIQKIPDAVONAI-UHFFFAOYSA-N 354.366 2.204 0 40 FEAB O=C(NCc1cccs1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225637722 CKCIGGNMLQGARQ-CQSZACIVSA-N 359.407 2.267 0 40 FEAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(Cl)cc3)cn(CC(N)=O)c2n1 49002063 QKJLMKIMBQYSAL-UHFFFAOYSA-N 370.796 2.096 0 40 FEAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(Nc2cccnn2)C1 585149094 VHMSJNPPVKFDIW-UHFFFAOYSA-N 360.417 2.992 0 40 FEAB Cc1ccn2c(=O)c(C(=O)NCCc3c[nH]c4ccccc34)c(O)nc2c1 36690172 RLWQBTCAWPFSHF-UHFFFAOYSA-N 362.389 2.162 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6357778 JWMYGLVKXABREZ-BMLIUANNSA-N 361.394 2.404 0 40 FEAB biogenic CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCCC2)c(=O)[nH]c1=O 7803672 WLKJXRDRUUJYCV-UHFFFAOYSA-N 350.463 2.098 0 40 FEAB CSc1nnc(C)n1NC(=O)c1ccccc1I 6223737 LSGQZUHRQACKJF-UHFFFAOYSA-N 374.207 2.297 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 6962887 OQRZPOCRTDYTRS-AWEZNQCLSA-N 356.488 2.402 0 40 FEAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1F 57505034 XPSKLVAMLNLHCL-NSHDSACASA-N 365.380 2.397 0 40 FEAB O=C(NCCC(=O)N1CCN(C(=O)CC2CCCC2)CC1)c1ccccc1 29329577 HGEGNXAJHCXTHX-UHFFFAOYSA-N 371.481 2.058 0 40 FEAB Cc1cccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)c1C 8476631 CBOWFOPOYSXRSR-UHFFFAOYSA-N 354.385 2.412 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C(C)=O)cn1C 52989642 DUJQXEJVSPMZMI-UHFFFAOYSA-N 359.401 2.145 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc2ncccc12 22241610 RQEZLSNEYFXNDR-IBGZPJMESA-N 360.417 2.086 0 40 FEAB Cc1cc(CN2CCN([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)on1 53456659 UNXSBPUYZGJFFA-QGZVFWFLSA-N 368.481 2.074 0 40 FEAB COc1ccc(-c2nc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cs2)cc1 22551041 AZZVSQYGBIOTRP-INIZCTEOSA-N 366.464 2.126 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)cc1 108528297 VXUULBLQGQDCRN-UHFFFAOYSA-N 358.467 2.440 0 40 FEAB COc1ccccc1CN(CCO)C(=O)Nc1ccc2c(c1)OCCO2 47319311 QAGQLMONCMEHEO-UHFFFAOYSA-N 358.394 2.493 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2c(C)noc2C)C1=O 24719503 DLRLIYLBHUVLIV-LJQANCHMSA-N 371.393 2.192 0 40 FEAB O=C(O)[C@H]1CN(C(=O)c2cc3cccc(Br)c3o2)CCO1 43702716 YMBGUHCYFGSRRZ-LLVKDONJSA-N 354.156 2.121 0 40 FEAB COC(=O)CN(Cc1ccccc1C)Cn1ncc(Cl)c(Cl)c1=O 57100020 RTLBXBQJCPZELL-UHFFFAOYSA-N 370.236 2.491 0 40 FEAB O=c1cc[nH]c(SCc2ccc(CSc3nccc(=O)[nH]3)cc2)n1 12556124 PZDOAEUCTFRXDT-UHFFFAOYSA-N 358.448 2.438 0 40 FEAB O=C(NCCNc1ncccc1C(F)(F)F)c1ccc2[nH]nnc2c1 47918949 VMAALMOFAGQCCL-UHFFFAOYSA-N 350.304 2.214 0 40 FEAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c(=O)c2[nH]1 57521046 WFCLTEIUDJAYKT-UHFFFAOYSA-N 358.379 2.019 0 40 FEAB Cc1nc(C2(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)CCCC2)no1 44695537 DKYDXNUZZNOIDG-UHFFFAOYSA-N 372.425 2.409 0 40 FEAB COC(=O)Cc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O 2093482 UZEUJXJWYKBWES-UHFFFAOYSA-N 362.378 2.456 0 40 FEAB biogenic Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)O)CC3)cc2oc1=O 2116764 OWEDAMDWUSCDJX-UHFFFAOYSA-N 359.378 2.112 0 40 FEAB biogenic CCCNC(=O)c1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 27395193 XYYCOONAWCCEDP-UHFFFAOYSA-N 350.378 2.315 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O 3327428 DNWPAUWVUOSNBE-VIFPVBQESA-N 358.268 2.478 0 40 FEAB in-vitro C[C@@H](OCC(F)(F)F)C(=O)NCCN1CCN(C)C[C@@H]1c1ccccc1 48366547 NSYBLNQPKDYRCU-GDBMZVCRSA-N 373.419 2.059 0 40 FEAB Cc1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1C 3486537 MVWQEDPUGDHBLH-UHFFFAOYSA-N 362.407 2.025 0 40 FEAB O=C(C[C@H]1Oc2ccccc2NC1=O)NC[C@@H](c1ccco1)N1CCCC1 12974481 WCWCOAFGXMEQGC-MAUKXSAKSA-N 369.421 2.323 0 40 FEAB COc1ccc(C)cc1NC(=O)CCC1=C(C)NS(=O)(=O)N=C1C 12949202 YHVKGYDLBYOQBQ-UHFFFAOYSA-N 351.428 2.305 0 40 FEAB CSCC[C@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12974710 YZSGGGOTGPUVBM-SDDRHHMPSA-N 367.496 2.379 0 40 FEAB O=C(c1cnn(-c2ccc(F)cc2F)c1-n1cccc1)N1CCOCC1 49547775 DONRNCRJJYIOSX-UHFFFAOYSA-N 358.348 2.414 0 40 FEAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](C(=O)O)C(C)C 5235505 ZSFPOBACWDXNLK-SFHVURJKSA-N 361.394 2.268 0 40 FEAB C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(N)=O)n2Cc2ccco2)C1 14086404 OCYNWQCHWXHPCY-XQQFMLRXSA-N 363.487 2.368 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 5314598 QUEZJLFNRXKEGF-UHFFFAOYSA-N 352.437 2.027 0 40 FEAB C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2cncn2)cc1 14197212 SYAWKQLOSHCNER-AWEZNQCLSA-N 355.442 2.141 0 40 FEAB O=C1CN(C(=O)COc2cccc(N3CCCC3=O)c2)c2ccccc2N1 14159709 CTJKRJFIWKPTPL-UHFFFAOYSA-N 365.389 2.178 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1C 8707231 LIXYKJIQRJBURS-UHFFFAOYSA-N 373.340 2.257 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NCc1ccccc1 5680852 SQNFWSMJJZIGSJ-LJQANCHMSA-N 369.446 2.148 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(C)c1 5877498 HVZDYONDDTYNFJ-KBXCAEBGSA-N 362.451 2.239 0 40 FEAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCS(=O)(=O)C1 9112803 NOIUJJIKPPYWTC-SECBINFHSA-N 358.391 2.462 0 40 FEAB C[C@@H](C(=O)N1CCC(=O)Nc2ccccc21)n1nnc(-c2ccccc2)n1 80324255 IUSCIUIWFKBQND-ZDUSSCGKSA-N 362.393 2.277 0 40 FEAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 19356882 YFZBJVGRKBSUSK-KBPBESRZSA-N 363.483 2.152 0 40 FEAB CC(C)[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 23773211 MARZHJXKYGHWSN-SFHVURJKSA-N 371.462 2.239 0 40 FEAB CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NC[C@H]1CCCO1 89943618 TZQWWKATSZOTEO-HZPDHXFCSA-N 368.499 2.334 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(=O)[nH]1 75566123 GKDMZUUJDWHDDM-HXUWFJFHSA-N 369.465 2.292 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)c1 95351880 FULKACQWPQGNQC-UHFFFAOYSA-N 367.453 2.057 0 40 FEAB CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)CSc1nccn1C 95961548 ULFHUYBVSNZDJP-SFHVURJKSA-N 361.467 2.193 0 40 FEAB CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc(Cl)c1O 95941038 DICGVBQCQHOPFR-CYBMUJFWSA-N 352.818 2.328 0 40 FEAB COC(=O)c1cncc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 89404387 CEPJWENVMJFDTP-UHFFFAOYSA-N 355.272 2.457 0 40 FEAB CS[C@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@@H]1N(C)C 543903110 NIUSDGOVJAIGIT-KBPBESRZSA-N 360.512 2.335 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1 28914922 ROVLHPGIELFUBS-ZDUSSCGKSA-N 356.401 2.285 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408587582 FCALPQQWWULITB-KGLIPLIRSA-N 356.488 2.445 0 40 FEAB COc1ccc(N[C@@H]2CCCn3c2cnc3C(=O)N2CCOCC2)cc1 306134760 NXMMOKUXKPMOKU-MRXNPFEDSA-N 356.426 2.311 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)CC 217507025 REWGKTLCHDCGBR-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 79484329 AELHSMMXNKIJFM-SFHVURJKSA-N 372.465 2.484 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 40386715 PWNVXCJDVUFXGT-SECBINFHSA-N 353.304 2.202 0 40 FEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1cccnc1 225727010 WCJWIWKNULQSAO-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1C 223721134 YDUJWEZWFSFADF-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB CC1CCN(S(=O)(=O)c2cccn(Cc3ccccc3F)c2=O)CC1 49408805 OEGATAPGKWTVMD-UHFFFAOYSA-N 364.442 2.456 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)s1 225545033 CCBVNBNIIVPBBU-VIFPVBQESA-N 372.447 2.311 0 40 FEAB Cc1ccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)o1 96147311 WOGSKXUBLWKIFY-UHFFFAOYSA-N 352.350 2.057 0 40 FEAB C[C@H]1CN(C[C@H](O)COc2ccc(C(=O)O)cc2)Cc2ccccc2O1 575936086 KXVOFQFZBLJQHV-YOEHRIQHSA-N 357.406 2.408 0 40 FEAB Cc1ccc(CN2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)s1 96056224 XCCMAWXTZPSEBD-QILLFSRXSA-N 372.494 2.113 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2cnn(C)c2)C3)cs1 248112979 HUBLEMOULKCXCY-CQSZACIVSA-N 364.496 2.102 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cccnn3)CCO2)n1 257322927 WIAYQGNECDHRTE-KRWDZBQOSA-N 365.393 2.357 0 40 FEAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516877 XMOZQAIUUQOTIE-NUJGCVRESA-N 364.394 2.483 0 40 FEAB CN(C(=O)c1ccnc(Cc2ccc(F)cc2)c1)[C@@H]1CCS(=O)(=O)C1 257275587 NPYWPRJQPFFGHX-QGZVFWFLSA-N 362.426 2.071 0 40 FEAB CC(=O)N1CCN(Cc2ccc(-n3ccnc3)cc2)CCC12CCOCC2 1615546601 AHTPGXSRWDOXAZ-UHFFFAOYSA-N 368.481 2.476 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3ccc(NCC4CC4)nc3)C[C@@H](C)O2)o1 619286872 LVTBBNMBSBGJPP-IAQYHMDHSA-N 357.414 2.197 0 40 FEAB Cc1nn(CCC(=O)O)c(C)c1NC(=O)c1ccc2c(c1)OCCCO2 630332341 FPTCUELDDLXCQL-UHFFFAOYSA-N 359.382 2.388 0 40 FEAB Cc1nc2c(O)nc(SCC(=O)Nc3ccc(F)cc3)nc2nc1O 1776004820 YMVUYQTVPCZVDO-UHFFFAOYSA-N 361.358 2.009 0 40 FEAB CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13C[C@H]1CC[C@@H]([C@H]23)N1C 1776005586 KQEZNLIJCHQXTO-LEHLBJDMSA-N 357.454 2.361 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)ccn1 585280736 OGRXWANCKIPGRP-AEFFLSMTSA-N 353.422 2.106 0 40 FEAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106170 UOYVNLPLVSHOMD-MSOLQXFVSA-N 373.472 2.134 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCC1 585283048 PADUXZZIHGRLAS-SFHVURJKSA-N 355.862 2.087 0 40 FEAB CCc1nc(C2(NC(=O)Cn3ccc(C(F)(F)F)n3)CCCC2)no1 674099410 XMCFDWQOENAFOU-UHFFFAOYSA-N 357.336 2.433 0 40 FEAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 5240455 KJUSMOOGLMSJAD-CQSZACIVSA-N 356.378 2.118 0 40 FEAB O=C(c1ccncc1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268181 JHJQHMMGBXJAIK-UHFFFAOYSA-N 362.393 2.054 0 40 FEAB O=C(Cc1ccccc1F)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19348177 VECFBTXOZQDHPY-HNNXBMFYSA-N 354.429 2.210 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)c2c(N)n[nH]c2n1 19695521 LCTFZZXVPOOCFI-SNVBAGLBSA-N 357.336 2.259 0 40 FEAB Cc1nccn1CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1 19745794 KLNMNDAMMVTTJL-SFHVURJKSA-N 354.454 2.393 0 40 FEAB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6345865 XWWYQRAVJXQFRR-YHYXMXQVSA-N 352.188 2.338 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1COc2ccccc2O1 5246314 NJDHCLJCCPCVCL-GOSISDBHSA-N 359.378 2.169 0 40 FEAB Cc1ccc(SCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 23198182 VHCXXBOFAGDJOC-KRWDZBQOSA-N 357.479 2.483 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(Cn2ccnc2)cc1 25642936 CUUJTLAPUMDUQD-UHFFFAOYSA-N 373.416 2.027 0 40 FEAB CCCNC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963746 BGHCXIXVHWVROX-AWEZNQCLSA-N 357.414 2.143 0 40 FEAB biogenic,in-vitro CC(C)(F)C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988836 KRTUJEKSCJENRQ-UHFFFAOYSA-N 352.381 2.298 0 40 FEAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)CC1=O 1565553853 LOBLQGIBHQEVHV-QGZVFWFLSA-N 367.396 2.288 0 40 FEAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cn1 1565548730 IYKRMRUARQBUMA-PMACEKPBSA-N 366.465 2.155 0 40 FEAB CN(Cc1cccnc1)Cc1cncc2c1CCN(C(=O)c1cc[nH]n1)C2 1565553671 HPWOSXULPXKOMO-UHFFFAOYSA-N 362.437 2.030 0 40 FEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(F)c(F)c2)n1 7419553 PYYRTCGCPQJVCV-UHFFFAOYSA-N 359.336 2.357 0 40 FEAB CCOC(=O)c1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1C 14865989 NBDWWEDHPWVAKQ-UHFFFAOYSA-N 361.379 2.175 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(N(C)C)cc3)C2=O)cc1 17877521 IHQAZLYYUKBKKE-QGZVFWFLSA-N 367.405 2.283 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 101544556 OVXVJMQWUNAWRT-LBPRGKRZSA-N 352.378 2.099 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 4307779 OZTHCOJOTJCBSS-INIZCTEOSA-N 352.822 2.420 0 40 FEAB NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CCO1 51712566 CGPWIADVVHWAOD-OAHLLOKOSA-N 365.861 2.048 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1 6418083 YSGGFBSHUCSGDL-UHFFFAOYSA-N 363.776 2.481 0 40 FEAB CC[C@H](CCNC(=O)c1ccc(OC)c(OC)c1OC)N1CCCC1=O 60367832 WCEIYVSUEMWJSP-CYBMUJFWSA-N 364.442 2.233 0 40 FEAB O=C(c1ccccc1)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 32900275 KKLBPMGBMJJFAV-UHFFFAOYSA-N 361.401 2.430 0 40 FEAB O=C(CNC(=O)c1ccco1)NCCCNc1ccc(C(F)(F)F)cn1 32911971 IZXOMTPUBJFSSY-UHFFFAOYSA-N 370.331 2.042 0 40 FEAB CCOC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 53239144 WIDZVRLSJFVYQO-JTQLQIEISA-N 356.216 2.480 0 40 FEAB Cc1cccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c1 792113 QPAZDBLSPLVXKS-UHFFFAOYSA-N 351.410 2.467 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)Cc1nn(C)c(=O)c2ccccc12 47024302 YEEDDIQYEZXSQZ-UHFFFAOYSA-N 365.433 2.288 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2CCCc1ccccc1 808448 RKHFEYOABNRYGO-UHFFFAOYSA-N 367.453 2.411 0 40 FEAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 101461381 VSFWEUVPUWXQAR-MRXNPFEDSA-N 371.824 2.180 0 40 FEAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc2c1CCCC2 23224686 GKHZIYMXMPZPDD-RYUDHWBXSA-N 366.483 2.461 0 40 FEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-n2cnnn2)cc1 24154809 MODDFLKZYLEFJL-UHFFFAOYSA-N 367.409 2.342 0 40 FEAB COc1cccc2cc([C@H](C)NC(=O)[C@H]3CCCN3S(C)(=O)=O)oc12 25199832 PVQMOJGWSXJZMM-WCQYABFASA-N 366.439 2.043 0 40 FEAB CCOCCCN1C(=O)/C(=C\c2cccc3c2OCCCO3)NC1=S 103954925 SRGMKEDKUJLQOV-WYMLVPIESA-N 362.451 2.332 0 40 FEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35307599 YVNYVIYUUIYAPA-CYBMUJFWSA-N 368.412 2.199 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1=O 57478860 PNJXWBOLJOLMNY-BETUJISGSA-N 363.483 2.139 0 40 FEAB O=C(COc1cccc(F)c1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12621876 ZVODLWNOIQOONO-UHFFFAOYSA-N 364.398 2.284 0 40 FEAB COc1ccc(C(=O)NCCn2cc(Br)cn2)cc1OC 28243139 UCYMINFNGDQSCH-UHFFFAOYSA-N 354.204 2.093 0 40 FEAB NC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1 10675350 KHYIMRSLBGESGC-PXAZEXFGSA-N 374.343 2.088 0 40 FEAB CN1CCN(C(=O)c2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 36394260 BKAWBFCXXQVGFM-UHFFFAOYSA-N 365.477 2.323 0 40 FEAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408597694 VWGUMHBDZIOOAT-NSHDSACASA-N 362.879 2.322 0 40 FEAB COc1cc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)ccc1C 10804418 ZTBUGBVLPOXHCK-LJQANCHMSA-N 353.378 2.116 0 40 FEAB COCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 12771282 ZRYYHBZZSNTKLW-UHFFFAOYSA-N 370.471 2.233 0 40 FEAB NC(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3572677 ZNPDJHRKLUEFIJ-UHFFFAOYSA-N 365.418 2.493 0 40 FEAB CCSc1nnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 13141992 XULZBAOTZLEHPC-NXEZZACHSA-N 368.484 2.154 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1cnn(Cc2cccc(F)c2)c1 28234961 UEDRQHXDZKIBOH-UHFFFAOYSA-N 350.357 2.454 0 40 FEAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCc1ccco1 5089271 FLMLUZOUEVXISD-CQSZACIVSA-N 370.405 2.264 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1 8720299 IUEASCODNFWWHT-UHFFFAOYSA-N 362.407 2.000 0 40 FEAB COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc(OC)c1 6316510 UUKQSSMVOLQKAB-UHFFFAOYSA-N 351.380 2.276 0 40 FEAB O=C(O)CCC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 18219251 JWLAIIWAJIOGBS-QGZVFWFLSA-N 357.341 2.288 0 40 FEAB CN(Cc1cccc(Cl)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14198199 AYIIMJSBRNGKDG-UHFFFAOYSA-N 371.824 2.392 0 40 FEAB CC(C)c1nc(SCC(=O)NC(=O)NC2CC2)nn1-c1ccccc1 14184463 CKDHYHXKJCNKIJ-UHFFFAOYSA-N 359.455 2.471 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 4514190 SZVUIEWBZQIIIH-LJQANCHMSA-N 361.417 2.385 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(F)c2)c1 6509991 YFRGPOSGWOAEQU-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)C(=O)OC 6640873 OPKXPDLKLJWDGG-KCXAZCMYSA-N 366.433 2.284 0 40 FEAB CC(C)CNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(C)C 6669833 OYEOEESZTNDJEW-INIZCTEOSA-N 357.458 2.363 0 40 FEAB COc1ccccc1-c1noc(CN2CCN(c3ccccn3)CC2)n1 15403674 ULTHUAUHWRHXJI-UHFFFAOYSA-N 351.410 2.462 0 40 FEAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C2CC2)c2cccnc2)cc1 8026739 DZTUGGVBPPBINT-KRWDZBQOSA-N 360.435 2.131 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCc3nnc(-c4cccs4)o3)nc2n1 8283022 VLANASBYEMUXSN-UHFFFAOYSA-N 356.367 2.210 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 84008606 KFTZTUBLQNHUJR-RDJZCZTQSA-N 359.401 2.395 0 40 FEAB COC(=O)CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 72294672 ASHWZIBUOWCGSX-NSHDSACASA-N 352.818 2.151 0 40 FEAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(F)cccc1Cl 97147127 QJNBZKJQCDVEFT-NSHDSACASA-N 374.825 2.030 0 40 FEAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CC[S@@](=O)C1 76092149 SLXWLHQSODOIKY-JNDILOIQSA-N 354.378 2.190 0 40 FEAB CCOc1ccc(CC(=O)OCC(=O)NCc2cccc(OC)c2)cc1 72333715 SITDIIOFONWQOH-UHFFFAOYSA-N 357.406 2.496 0 40 FEAB O=C(Oc1ccc2cn[nH]c2c1)c1nn(-c2cccc(F)c2)ccc1=O 86027366 YGLSVPNCVQJJOQ-UHFFFAOYSA-N 350.309 2.467 0 40 FEAB O=C(N[C@H]1CCNC12CCC2)N[C@@H]1CCN(c2ccc(F)cc2F)C1 529303737 BSZRNTWVRWMECT-CJNGLKHVSA-N 350.413 2.127 0 40 FEAB CC(C)CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 72325185 NHOGXVQFCSXCCN-HXUWFJFHSA-N 357.454 2.366 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339057 LQNLFZZVNGUMCJ-XQJRBRMLSA-N 371.481 2.009 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218457505 PGDFWAUAFWHIDW-AOIWGVFYSA-N 360.431 2.252 0 40 FEAB CC1=NN(c2ccc(C(=O)NC3CCN(c4ncccn4)CC3)cc2)CC1 40134369 LRQOXBVZYVDEFF-UHFFFAOYSA-N 364.453 2.461 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1 225407388 RGVLHXMCFBCJKB-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222667147 GARBPOUZPRYGER-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB COc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222471140 HPMNYKGPSBSXTP-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB COc1ccc(-c2c(I)cnn2CCO)cc1OC 96527432 RYUPEUIDSWOHGZ-UHFFFAOYSA-N 374.178 2.164 0 40 FEAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1cccs1)CC2 96059476 FLBAZTRKUNPPSE-UHFFFAOYSA-N 355.467 2.229 0 40 FEAB Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)s1 96057494 RPIXXJFWZIQNJJ-BRWVUGGUSA-N 350.484 2.037 0 40 FEAB CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CNC[C@H]2c2ccccc2)c1 577087376 KSLXOAZZLPGVLD-ZWKOTPCHSA-N 358.463 2.313 0 40 FEAB COCC(=O)NCC[C@@H]1CCOC12CN(Cc1ccccc1Cl)C2 247859597 VSAMZUBRIIAWAR-OAHLLOKOSA-N 352.862 2.084 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2cccnc2)cc1 247932076 SLJQQKQPTLRRNQ-JEBQAFNWSA-N 360.435 2.321 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)nc2O)n1 257290982 QFCLROVVMAOUNM-KRWDZBQOSA-N 354.410 2.104 0 40 FEAB NC(=O)CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257298154 RKKPTRGNUDKRNE-UHFFFAOYSA-N 370.424 2.434 0 40 FEAB CO[C@H]1CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 257320581 VXKPGQZFZHMPAE-MAUKXSAKSA-N 370.396 2.496 0 40 FEAB CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Cl)C1 281645292 MOGWJKRMFGVPMR-JTQLQIEISA-N 351.255 2.283 0 40 FEAB COc1cccc([C@H](NC(=O)c2cc3c(nc2O)CCCC3)C(=O)O)c1 659175525 PANGUOVODDRMQX-INIZCTEOSA-N 356.378 2.230 0 40 FEAB COc1ccc(OC(F)F)c(CNC(=O)c2ccc(C(=O)O)nc2)c1 675041549 PXYDAENJHGSBKT-UHFFFAOYSA-N 352.293 2.320 0 40 FEAB CN1C(=O)CC[C@H](CNc2cnc3ccccc3n2)[C@H]1c1nccn1C 1775959380 RQHSLZOUUIUUNV-ACJLOTCBSA-N 350.426 2.385 0 40 FEAB COC[C@@H](NS(=O)(=O)c1cnc(N)c(C)c1)c1ccc(Cl)cc1 1622081726 PEKZGXRTGZXMSX-CQSZACIVSA-N 355.847 2.292 0 40 FEAB Cc1ncnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)c1C 585108788 HGZHBEIBRHYYQG-LNLFQRSKSA-N 368.437 2.077 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)c1ccco1 585111803 CADYVXOBZGBRSW-INIZCTEOSA-N 351.410 2.248 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@](O)(COc3ccccc3C)C2)n1 585275556 CRCIDZXSJSSMLH-HXUWFJFHSA-N 357.454 2.323 0 40 FEAB CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1ccco1)CC2 585104334 HFBJXPIHUSAOJG-INIZCTEOSA-N 350.459 2.146 0 40 FEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C1 44285506 JFJFJHYVMYAVSC-CALCHBBNSA-N 365.543 2.463 0 40 FEAB COc1ccnc(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1 577752344 QSIFLFRQPPLLDD-CQSZACIVSA-N 351.410 2.082 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146232 YKHQXHVNESJNKA-HFTRVMKXSA-N 369.465 2.333 0 40 FEAB CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19085816 KAUFTRKWDYKJFI-OAQYLSRUSA-N 367.449 2.030 0 40 FEAB Cc1cc(C2(NC(=O)CCc3ccc(C(=O)O)cc3)CCOCC2)on1 630305822 SNQOCFKFBJUCHJ-UHFFFAOYSA-N 358.394 2.436 0 40 FEAB Cc1nnc(N2CC(NC(=O)c3ccccc3Br)C2)s1 1888853201 SFQUHBYLMHSNDZ-UHFFFAOYSA-N 353.245 2.228 0 40 FEAB CSc1nc(C)cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888866460 MKUOELBBMNJEMN-OKILXGFUSA-N 354.435 2.133 0 40 FEAB COc1nc(OC)nc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1889206530 VDHBWDKYUHVGPJ-UHFFFAOYSA-N 352.398 2.177 0 40 FEAB CCCNC(=O)NC(=O)CNc1ccc(NC(C)=O)cc1C(F)(F)F 29902727 IHKCQAKQOYVNIF-UHFFFAOYSA-N 360.336 2.312 0 40 FEAB CC(C)N1C[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]2OCC1=O 2037985455 KOTVZPRWIHQMJT-CJNGLKHVSA-N 350.846 2.438 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)c(OC)c1 1614940417 KYNLFMICIWUQLB-OAHLLOKOSA-N 362.470 2.419 0 40 FEAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)n1 1565549131 MCYQTWWBEVPHLJ-KURKYZTESA-N 358.486 2.337 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 8924581 OTYVGPBBVRPWKG-AWEZNQCLSA-N 354.406 2.487 0 40 FEAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCC3)cc1 8976511 CWXLRGZPUGXAIJ-UHFFFAOYSA-N 361.423 2.199 0 40 FEAB Cc1ccsc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772810 HLYHLACPRZDRHL-UHFFFAOYSA-N 358.467 2.117 0 40 FEAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 49399316 ILNYWAHJJHXFNE-UHFFFAOYSA-N 371.828 2.270 0 40 FEAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19078843 OHJRNECISALXGE-GUYCJALGSA-N 370.428 2.392 0 40 FEAB COc1ccc(/C=C2/NC(=O)[C@H]3Cc4ccccc4CN3C2=O)c(OC)c1 8487259 HNXFGEZELAWBJN-JIARHERNSA-N 364.401 2.128 0 40 FEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(=O)[nH]c2ccccc12 40161759 ZCDBRECIYLHEPV-UHFFFAOYSA-N 370.434 2.069 0 40 FEAB CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@H]1CCc2ccccc21 30792981 DBWLHXOTWPNYIV-RBUKOAKNSA-N 362.433 2.253 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 100703181 OBJMIXZWDVTHBX-CQSZACIVSA-N 355.369 2.437 0 40 FEAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7051029 WNGWCKVMXFRXMZ-UHFFFAOYSA-N 351.449 2.380 0 40 FEAB COc1ccc(CNC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)cc1 31845041 DTPKFCQYEBNELU-UHFFFAOYSA-N 360.797 2.390 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1378826 IFCFRLHMQBQEIP-MRXNPFEDSA-N 354.447 2.428 0 40 FEAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(Cl)c1C 32418057 UUFOXBCCUBQHEX-GFCCVEGCSA-N 363.888 2.318 0 40 FEAB Cc1ccc(CN2CCN(Cc3ccc(C(=O)O)cc3)C(=O)C2=O)cc1 32918684 NZKASKHFFIFDPG-UHFFFAOYSA-N 352.390 2.064 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102634214 ZSWZKUIIZQXTKU-SDADXPQNSA-N 365.389 2.113 0 40 FEAB O=C(/C=C/c1nnc2c3ccccc3cnn12)NCc1ccc2c(c1)OCO2 9155706 UTECRPYFKMWDIY-BQYQJAHWSA-N 373.372 2.336 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2ccccc2n1 9898313 LCRGHEFXHDHRIG-UHFFFAOYSA-N 369.446 2.415 0 40 FEAB CCNC(=O)NC(=O)[C@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1 53947055 JUGGUNVHOMNESQ-OAHLLOKOSA-N 372.425 2.382 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1 2791789 MYOPTHPMXSKVKT-UHFFFAOYSA-N 350.375 2.476 0 40 FEAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(F)c1 23977135 BBSYLNPUSLTMKE-OAHLLOKOSA-N 370.471 2.239 0 40 FEAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2OC)cc1 54797425 JGXZUYMXCLAZSY-UHFFFAOYSA-N 355.437 2.290 0 40 FEAB Cc1ccc(C(=O)C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cc1 24666509 RRNQHTATVHLVEP-QGZVFWFLSA-N 368.458 2.396 0 40 FEAB COc1nc(N2CCN(c3ccc(O)cc3)CC2)ncc1Br 176811818 YCHFCCQCTBTKHL-UHFFFAOYSA-N 365.231 2.280 0 40 FEAB CS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 47971312 YAQNZQTYJJILFO-NSHDSACASA-N 354.453 2.448 0 40 FEAB O=C1[C@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 2183631 UOENOYYECINOMP-GOSISDBHSA-N 374.460 2.155 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 58341775 FUHKOLUNYKMEPT-ZIAGYGMSSA-N 353.260 2.489 0 40 FEAB COCCCn1c(SCC(=O)Nc2ccc(SC)cc2)n[nH]c1=O 12600745 HOKLGHGODUZSRS-UHFFFAOYSA-N 368.484 2.061 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c(C)c1 36389628 WCEIYCAIKIJBMS-UHFFFAOYSA-N 365.477 2.378 0 40 FEAB COc1ccc(C(=O)NCC(=O)OCc2cn3cc(Cl)ccc3n2)cc1 7678350 ZRRAZSDWOHEHSC-UHFFFAOYSA-N 373.796 2.470 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3302309 XRLCCWKLJRRHMN-UHFFFAOYSA-N 359.426 2.443 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cn1ccccc1=O)c1ccc(Cl)cc1 48279540 LBRCOZLOGAOJGB-QGZVFWFLSA-N 356.813 2.141 0 40 FEAB COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 17740192 KZXMCTZQHUOALD-LJQANCHMSA-N 370.449 2.035 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(NC(=O)c2cccnc2)CC1 48353921 NECBSNJOOYMOLM-CQSZACIVSA-N 371.412 2.409 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12862855 VGENCKPJKGRAHU-CQSZACIVSA-N 354.406 2.373 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 12872906 JRFPJXQIUPZZFG-GFCCVEGCSA-N 365.455 2.457 0 40 FEAB CC(=O)Nc1ccc(NC(=O)COc2ccccc2)c(N2CCOCC2)c1 22636688 DGWLOQKVEMIRKZ-UHFFFAOYSA-N 369.421 2.499 0 40 FEAB CCCCNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3572856 DKDPSGUQJOFJKE-UHFFFAOYSA-N 365.433 2.398 0 40 FEAB Cc1ccccc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179521 WDBABFHQIAIZSF-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB Cc1ccc(S(=O)(=O)Oc2cc3nnnn3nc2-c2ccccc2)cc1 3767013 XESXLNMNATUGOO-UHFFFAOYSA-N 367.390 2.262 0 40 FEAB Cc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38848800 PVCKZKLDNRLSKJ-GOSISDBHSA-N 374.462 2.229 0 40 FEAB C[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H](C(N)=O)O1 92007153 XPRGSDXWZGIHDH-KUHUBIRLSA-N 350.422 2.100 0 40 FEAB O=c1cc(CSc2nnnn2-c2ccccc2)[nH]n1-c1ccccc1 13571047 CYKFDEQCXQZHFV-UHFFFAOYSA-N 350.407 2.434 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O 6079017 YRDNSPRYIFXCMU-HNNXBMFYSA-N 357.410 2.029 0 40 FEAB COc1cc(S(=O)(=O)NCCc2ccccc2F)ccc1NC(C)=O 8166889 MBMQFZPARMIITM-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(-n2cncn2)cc1 8370483 ZISCYTYWUKCFPI-UHFFFAOYSA-N 356.407 2.144 0 40 FEAB C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(N)=O 5362628 CJSVBUBJDURPAR-GFCCVEGCSA-N 363.462 2.358 0 40 FEAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 14185286 HMPAIKRXQJASCD-UHFFFAOYSA-N 372.805 2.219 0 40 FEAB O=C(Nc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1)C1CC1 14168667 DRDGDPNQWXDWTD-SFHVURJKSA-N 352.390 2.491 0 40 FEAB CN1CCN(CCCNC(=O)CSCc2ccc(Cl)cc2)CC1 22934992 UQSBJZJUUCYGIS-UHFFFAOYSA-N 355.935 2.327 0 40 FEAB CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 9113075 WYQPBAGYHMOHHG-SNVBAGLBSA-N 371.311 2.139 0 40 FEAB Cc1cc(Cl)ccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 9435198 FTBSNZHQOASEIW-UHFFFAOYSA-N 367.858 2.126 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c[nH]c2ccccc12 72405600 RGTGKXQOAXXWSS-UHFFFAOYSA-N 352.394 2.157 0 40 FEAB Cc1cccc2[nH]c(CNC(=O)Cn3cc(C(F)(F)F)ccc3=O)nc12 95451759 DKBPBHBMGOAWGJ-UHFFFAOYSA-N 364.327 2.368 0 40 FEAB C[C@@H]1C[C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)CCO1 95457894 OXOYTRUEYZDKSM-CVEARBPZSA-N 354.450 2.430 0 40 FEAB CCCNC(=O)[C@@H](C)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95955992 BGSXPROVHIFVOI-MRXNPFEDSA-N 353.470 2.180 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9904305 YNBLJMWZHBFGNZ-UHFFFAOYSA-N 367.405 2.425 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408591739 KAWHSGDMROATBB-CQSZACIVSA-N 368.499 2.371 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306132130 KZRDHHRWLCAOLQ-PXNSSMCTSA-N 353.470 2.307 0 40 FEAB CC1CCN(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1 32759377 ARGPHTVWSIIQSY-UHFFFAOYSA-N 362.499 2.340 0 40 FEAB CCCOc1ccc(OCC(=O)NCC(C)(C)N2CCOCC2)cc1 36733119 QFXPQMSWFBYOEG-UHFFFAOYSA-N 350.459 2.081 0 40 FEAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218666724 QYYFDYJFNAXTSX-OFQRWUPVSA-N 369.801 2.201 0 40 FEAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@H]1C1CCOCC1 564795461 CCEZGSOSOBGQMP-HNNXBMFYSA-N 353.440 2.273 0 40 FEAB Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1 62006712 IZBIFVRCQQPNFC-UHFFFAOYSA-N 351.341 2.130 0 40 FEAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217655235 YOOXRLWXKWIXJJ-GFCCVEGCSA-N 358.460 2.156 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 40287847 ROUFOXRSWAYJOC-NSHDSACASA-N 370.331 2.051 0 40 FEAB COCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224259561 CHPAQMLLLQXUBT-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)NCc1c(OC)cccc1OC 222981021 NDMHDDROVSDTSL-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(C)s1)C2 96060864 WGMPMRAYCFCQNH-OAHLLOKOSA-N 363.531 2.346 0 40 FEAB COC(=O)c1ccc2c(=O)n3c(nc2c1)-c1cc(OC)c(OC)cc1CC3 98212125 XMWXVLONZHTFDE-UHFFFAOYSA-N 366.373 2.423 0 40 FEAB COc1ccc(CN2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)cc1 96056669 HAUCMOQMZHWGQQ-POAQFYNOSA-N 369.465 2.053 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc2c(c1)CCC2 245227197 FOUAYSBWKIMSHD-LXJANLPBSA-N 362.429 2.167 0 40 FEAB C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccnc2c1ncn2C 585082812 NXDQKZFAQQTITI-CYBMUJFWSA-N 353.401 2.458 0 40 FEAB CCc1noc(C)c1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C(C)C 585114335 YGIKEWIXTLBKCF-CXAGYDPISA-N 359.430 2.073 0 40 FEAB COc1ccc2cc(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)[nH]c2c1 601486216 SHWAQLPBXAOIQV-LLVKDONJSA-N 355.316 2.070 0 40 FEAB CN(CCN1CCCC1=O)S(=O)(=O)c1c(Cl)ccc2scnc12 1621792961 PVOURRQOFHHDCU-UHFFFAOYSA-N 373.887 2.193 0 40 FEAB NC(=O)c1cnn2cc(CNc3cccc(C4CCOCC4)c3)cnc12 623714706 YVSLUTFHMWLCBG-UHFFFAOYSA-N 351.410 2.334 0 40 FEAB COCc1ncc2c(n1)CCN(C(=O)N[C@@H](C)c1ccccc1OC)C2 632824864 PQKFUYBJBVSMKS-ZDUSSCGKSA-N 356.426 2.461 0 40 FEAB Cc1cc(N(C)CC(=O)N2c3ccccc3NC(=O)C23CCCC3)n[nH]1 640191555 JEOBUKPMAHDKGR-UHFFFAOYSA-N 353.426 2.452 0 40 FEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)c2cc(O)nc(C)n2)C1 585275596 DRARCJCYQWIYGK-LJQANCHMSA-N 357.410 2.109 0 40 FEAB CCOCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@@H]2COC 585103873 SLXFFNOXBCHVRX-MRXNPFEDSA-N 366.527 2.472 0 40 FEAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cccc(C(F)(F)F)c1 585277600 IYQJZQXKVHZQPY-MRXNPFEDSA-N 358.360 2.463 0 40 FEAB O[C@@H]1[C@@H](N2CCN(c3ncccn3)CC2)CCC[C@H]1Oc1cccc(F)c1 585290081 RQNQXAISYUBFJR-IPMKNSEASA-N 372.444 2.099 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 585102847 KNFROBUDTLILHL-UGKGYDQZSA-N 370.493 2.415 0 40 FEAB N[C@@H](CC(=O)O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 85812817 NLJGCQKWTGOBMY-QMMMGPOBSA-N 355.110 2.208 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615155420 HSNOPIUSGQXLQX-NRFANRHFSA-N 365.433 2.428 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549167313 NQAXFJXGVIMTDY-UHFFFAOYSA-N 354.381 2.313 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)N4CCC(C)CC4)c(=O)n3c2c1 12181528 LDZVDMQLKUQYOM-UHFFFAOYSA-N 368.437 2.225 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)N4CCC(O)CC4)[C@@H]31)O2 13227520 QIZZSSZJWRBTRM-AZVUBCEASA-N 355.434 2.338 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N(C)C1CCCCC1 16363212 UVTZCKYVHBLBAN-UHFFFAOYSA-N 355.485 2.326 0 40 FEAB CN1CCc2nc([C@H]3CCCN3C(=O)COc3ccccc3F)ncc2C1 19590519 SUZLCXQETHYOBU-QGZVFWFLSA-N 370.428 2.346 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cn1 19705914 QFHXBUWQHCEZOY-INIZCTEOSA-N 368.437 2.207 0 40 FEAB CCCCN(C(=O)c1cccs1)c1c(N)n(CCC)c(=O)[nH]c1=O 5937684 WTFUEODBKHFMPH-UHFFFAOYSA-N 350.444 2.037 0 40 FEAB CN(C)c1ccc(C(=O)NC2CN(c3ncnc4ccsc34)C2)cc1 1888890634 ZQALGDMLDFPARG-UHFFFAOYSA-N 353.451 2.376 0 40 FEAB Cc1cc(=O)oc2cc(OC(=O)Cn3cnc4sccc4c3=O)ccc12 15079074 JJUHZNTUHAPLIB-UHFFFAOYSA-N 368.370 2.478 0 40 FEAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 4386555 BVWGVAGIGJVEHB-UHFFFAOYSA-N 365.437 2.143 0 40 FEAB CCCC[C@@H](CC)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4370926 GHMWRJLYDHTQMJ-SECBINFHSA-N 357.252 2.402 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19569697 FWNYDQHBZSJHMI-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1 40123045 WUZGCLFFMXNWIT-UHFFFAOYSA-N 355.394 2.391 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 2722892 ZBLVQDDRPWZYBX-UHFFFAOYSA-N 364.386 2.260 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 3609547 QGSWWRZTEYFJTH-UHFFFAOYSA-N 374.462 2.443 0 40 FEAB CCn1c(SCC(=O)NCc2ccco2)nc2c(c1=O)S[C@H](C)C2 4101757 PQMBDQYAOVQFLB-SNVBAGLBSA-N 365.480 2.301 0 40 FEAB CNP1(N(C)C)=NP(NC)(N(C)C)=NP(NC)(N(C)C)=N1 4794948 XSRYSIBCWHYSAC-UHFFFAOYSA-N 357.324 2.182 0 40 FEAB CCC[C@@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975985 ABQWWDQYHLPSSF-WOPDTQHZSA-N 354.476 2.264 0 40 FEAB COc1cccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)c1 10242902 GPDPUCXSBJEACV-UHFFFAOYSA-N 362.403 2.447 0 40 FEAB Cc1ccccc1C1(CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 102464825 DEERJAOCJWOXCD-UHFFFAOYSA-N 373.478 2.173 0 40 FEAB Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)O)cc12 32916837 IBCIUZOIGXKYSG-UHFFFAOYSA-N 356.426 2.098 0 40 FEAB O=C(c1cnc2sccn2c1=O)N1CCc2[nH]c3ccccc3c2C1 9902655 YYMJMXCTQXRXOH-UHFFFAOYSA-N 350.403 2.436 0 40 FEAB CCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@](O)(C(F)(F)F)C1 680217 MXMJTRXMVBBKIS-OAHLLOKOSA-N 360.332 2.496 0 40 FEAB CCCCn1nc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)ccc1=O 24489632 XUKGUPBRRDSWCB-KRWDZBQOSA-N 371.437 2.386 0 40 FEAB COc1ccc(CCNC(=N)NC[C@@H](O)c2cc(OC)ccc2OC)cc1 58326921 IFZDTGMEBLLXGN-GOSISDBHSA-N 373.453 2.102 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454521 JMDCZCVNHUOHPW-PBHICJAKSA-N 362.445 2.152 0 40 FEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 12525670 IVOBSEPLTNOUBU-UHFFFAOYSA-N 361.398 2.359 0 40 FEAB CCCc1c(COC)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O 22448496 AEKPYIDZZBWPSW-UHFFFAOYSA-N 372.469 2.204 0 40 FEAB CC(C)[C@H](NC(=O)CN(C)CC(=O)NCC(F)(F)F)c1cccs1 47749252 ZLOYKHRPPPYVSP-AWEZNQCLSA-N 365.421 2.172 0 40 FEAB O=C(O[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108055979 JSTPNLXBDBFPPW-WMHQRMGPSA-N 374.462 2.332 0 40 FEAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489978 QSKCIETVTQZNGM-ZDUSSCGKSA-N 371.462 2.437 0 40 FEAB COc1cccc(N(CCCC(=O)N2CCCCC2)S(C)(=O)=O)c1 113967568 HRQILFBWLMXVNU-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 12876523 WCOVNORKPLRWQU-OAHLLOKOSA-N 368.231 2.417 0 40 FEAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccco1 3555212 KGOGDBRNBHGELA-UHFFFAOYSA-N 370.390 2.381 0 40 FEAB CN(CCOc1ccccc1F)C(=O)c1ccc(S(C)(=O)=O)cc1 16112754 FEIDANPOVDPJEO-UHFFFAOYSA-N 351.399 2.380 0 40 FEAB C[C@H](CNC(=O)[C@@H]1COCCO1)Sc1ccc(Br)cc1 68568311 ZWEBBIUSDZRAAO-MFKMUULPSA-N 360.273 2.461 0 40 FEAB Cc1ccn2ncc(C(=O)N3CCCN(C(=O)c4ccsc4)CC3)c2n1 68757271 YRDLSBZLVTUFED-UHFFFAOYSA-N 369.450 2.088 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13629444 RKACIEQFDZAEHF-GFCCVEGCSA-N 351.453 2.183 0 40 FEAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21 8582985 ADYLBLJHEGKNON-UHFFFAOYSA-N 370.844 2.479 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1OC 16453720 OBSAGWNBDHWZLJ-LLVKDONJSA-N 365.459 2.068 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 14022338 TURVNJHZQWWBDJ-UHFFFAOYSA-N 358.419 2.412 0 40 FEAB CC(C)(C)OC(=O)N1CC2(CN(Cc3ccccc3)C[C@]23CCNC3=O)C1 91302737 YYTYMYGTGJNQSG-NRFANRHFSA-N 371.481 2.246 0 40 FEAB Cn1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)n1 14189711 PZUXCSATGWZARL-UHFFFAOYSA-N 357.439 2.099 0 40 FEAB CN(C(=O)c1ccc(C2SCCS2)cc1)[C@@H]1CCS(=O)(=O)C1 14160598 WOGVDTYNIOIADC-CYBMUJFWSA-N 357.522 2.424 0 40 FEAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C(N)=O 14233243 MMDBIGVVQCMYTD-SECBINFHSA-N 365.484 2.284 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC(C(N)=O)CC1 8318002 HHOOGEIFGRPCFT-LLVKDONJSA-N 353.850 2.181 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1=O 67571699 INTAXUQRNQFQND-GQIGUUNPSA-N 367.380 2.428 0 40 FEAB O=C1CN(C(=O)CCC(=O)N[C@H]2C[C@@H]2c2ccccc2)c2ccccc2N1 67504385 SBJMWMUFJWCYJX-WBVHZDCISA-N 363.417 2.424 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 8754864 DLRBYOIIDWSFGY-SNVBAGLBSA-N 362.332 2.301 0 40 FEAB CCCN1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9015760 DBNAUIVENKSLRC-FQEVSTJZSA-N 351.406 2.307 0 40 FEAB COc1ccc2c(C)c(CCC(=O)NCCCn3ccnc3)c(=O)oc2c1 9421566 LKMQVVXMJCHPET-UHFFFAOYSA-N 369.421 2.446 0 40 FEAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2ccccc2c1 97015142 LUIRNYWPAAMNIF-MRXNPFEDSA-N 372.450 2.391 0 40 FEAB Cc1nc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2nc1C 72748016 QJWMWJBMUQDISI-IBGZPJMESA-N 360.417 2.299 0 40 FEAB CC(=O)c1cccc(OCC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 95458932 FJDVLBHDUMGUGO-GOSISDBHSA-N 371.437 2.218 0 40 FEAB O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2cccnc2)cc1 79112629 KWFWTYUGAZDJNF-UHFFFAOYSA-N 368.418 2.207 0 40 FEAB Cc1ccc(C(=O)NCc2nn(C)c3sc(C(=O)NC4CC4)cc23)cn1 306133517 MNQWVCFZEOEARI-UHFFFAOYSA-N 369.450 2.160 0 40 FEAB Cc1nn(C[C@@H](C)C(=O)NCCCn2ccnc2)c(C)c1Br 32501812 JRQMQLLYLBIHFX-LLVKDONJSA-N 368.279 2.302 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38833261 ICGALUMPQBUCDO-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB CC(C)CNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325318 LNNYCAFBJQXMIV-LBPRGKRZSA-N 367.496 2.357 0 40 FEAB Cc1ccnc(NC(=O)c2cnn(C)c2C(=O)Nc2cc(C)ccn2)c1 36617907 QQYROLIMXGQTFZ-UHFFFAOYSA-N 350.382 2.332 0 40 FEAB CCCc1nnc2c(=O)n(CC(=O)NCCC(C)C)c3ccccc3n12 64871641 YPWJKNRELOBGOV-UHFFFAOYSA-N 355.442 2.159 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(F)c2)cc1OC 224807839 GLHYEICXRLLZTN-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCC2=CCCCC2)cc1 224191246 IJBRILPSRQKCBO-UHFFFAOYSA-N 351.472 2.159 0 40 FEAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1 223963240 MOVYESJSYSZXMI-UHFFFAOYSA-N 353.425 2.454 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCS(=O)(=O)C1 48686455 OFNKUTFPFHLBJX-CQSZACIVSA-N 353.875 2.419 0 40 FEAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1cc2c([nH]c1=O)CCCC2 131161288 JTIINPZWCFXGKI-OAHLLOKOSA-N 352.438 2.048 0 40 FEAB CN(CC(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 224424463 XBSDGKNMEIZJJX-UHFFFAOYSA-N 364.442 2.195 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 44845649 CVNWSHGXSSAATD-UHFFFAOYSA-N 354.378 2.047 0 40 FEAB C[C@H](C(=O)NCCn1ccc2ccccc21)n1nnc2ccccc2c1=O 85432512 NTFYLMAGKWDYCY-CQSZACIVSA-N 361.405 2.124 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)COc1ccccc1)C2 96227531 SDSCALJMLIQSGE-WIYYLYMNSA-N 365.433 2.015 0 40 FEAB O=C(Nc1ccc(F)cc1)N1CCn2nnc(COc3cccnc3)c2C1 96256024 MHZQEDLTYZIZCO-UHFFFAOYSA-N 368.372 2.439 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(C)n3)N=C2O)cc1 95474173 XZLWZHIFFUNQRV-OAHLLOKOSA-N 368.393 2.052 0 40 FEAB COc1cc2c(cc1OC)[C@H](NC(=O)CNC(=O)c1ccccc1)CC2 524733318 HMWFMPXHPXZLCW-MRXNPFEDSA-N 354.406 2.237 0 40 FEAB COc1ccc2nc(CO[C@H]3CN(C(=O)c4ccncc4)C[C@H]3F)[nH]c2c1 96112065 QGHCMKLQFKBOBG-PBHICJAKSA-N 370.384 2.346 0 40 FEAB biogenic,in-vitro COc1ccccc1CC(=O)N1CCOC[C@H]1CCc1nccnc1C 257324694 WPSPCPBXYMFIKF-QGZVFWFLSA-N 355.438 2.196 0 40 FEAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(C)n1 257301109 RXAKCTYOCHCFBT-HNNXBMFYSA-N 350.419 2.492 0 40 FEAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2NC1=O 252511283 ZWLUDVIHLQHYLD-MLGOLLRUSA-N 368.455 2.034 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515251 IAIHLIFPOLPONP-ZMSDIMECSA-N 366.822 2.343 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCN(c3nc(C)ns3)CC2)n1 608199159 SILDZIKPJDVPFG-CQSZACIVSA-N 362.503 2.350 0 40 FEAB Cc1csc(-c2cccc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n1 257252519 JVBBQOLQSZVSER-CYBMUJFWSA-N 366.512 2.184 0 40 FEAB Cn1nc(C(=O)O)cc1C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 630215484 NCQROSWNYHUJNY-HOTGVXAUSA-N 357.410 2.232 0 40 FEAB CCc1noc(COC2CN(C(=O)[C@@H](C)c3c(F)cccc3F)C2)n1 644217841 MGZFYBKMSSGCHL-JTQLQIEISA-N 351.353 2.441 0 40 FEAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cc(Cl)c(C)cc1Cl 666422902 SIFLYICRWFIUJO-RYUDHWBXSA-N 367.254 2.235 0 40 FEAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CSC2 604418824 ICCKGRCMMMEDTB-ZDUSSCGKSA-N 356.451 2.154 0 40 FEAB CN(C)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1 96365507 NQUGBXDVARXVIF-GOSISDBHSA-N 358.463 2.441 0 40 FEAB CCN(C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O)C1CCCCC1 585284437 KYMKOTWCIKAJFA-UNMCSNQZSA-N 374.525 2.208 0 40 FEAB CO[C@@H]1CN(C(=O)CCc2cc(O)no2)C[C@]12C[C@@H](c1ccccc1)CO2 585294103 NEDNXRXEQMEHTH-WRWLIDTKSA-N 372.421 2.113 0 40 FEAB COCCn1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n(C2CC2)c1=O 77151040 UEKSFKBXURTART-HZPDHXFCSA-N 374.485 2.088 0 40 FEAB Cc1[nH]c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c(C)c1C(=O)OC(C)C 78026097 HADCVQSPGWJRSV-OAHLLOKOSA-N 362.348 2.336 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 11513759 ZURWMFFADALBFT-UHFFFAOYSA-N 367.405 2.001 0 40 FEAB Cc1nc(C)n(CCC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)n1 12086989 LUPFGTNTFXHJMZ-QGZVFWFLSA-N 370.453 2.474 0 40 FEAB O=C(CCc1ccccc1F)NCc1cc(=O)[nH]c(-c2ccncc2)n1 19348674 PQCPJZVFACKRLI-UHFFFAOYSA-N 352.369 2.220 0 40 FEAB Cc1ncccc1C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1 19582832 FITSHHBCZNYUJZ-UHFFFAOYSA-N 359.451 2.208 0 40 FEAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cccn3nnnc23)c1 19661908 NMBUECYLIOCVRH-UHFFFAOYSA-N 366.425 2.160 0 40 FEAB CCOC(=O)[C@@](NCCc1ccccc1F)(NC(=O)CC)C(F)(F)F 19939219 YCWVINZVODUOPD-OAHLLOKOSA-N 364.339 2.306 0 40 FEAB CC(C)CNC(=O)NC(=O)COC(=O)/C=C/c1ccc(Br)o1 6066191 NJNUVIRKKZAROG-GQCTYLIASA-N 373.203 2.080 0 40 FEAB O=C(c1cscn1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888843183 YHIZTUBWCKQWKQ-AOOOYVTPSA-N 369.372 2.160 0 40 FEAB OC1(CNC[C@]2(O)CCN(c3ccnc4cccnc34)C2)CCCCCC1 2037954802 LDYCHARBIJCUJQ-OAQYLSRUSA-N 370.497 2.246 0 40 FEAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 2056225552 QRUHPSKMEUFXMV-MSOLQXFVSA-N 370.497 2.387 0 40 FEAB Cc1csc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1 1565554506 TWDWMCLKDNLTBN-DOTOQJQBSA-N 364.511 2.398 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2C(=S)NC(=O)[C@H]2Cc2ccccc2)c1 2889405 RNXWRSTWPPDDMD-OAHLLOKOSA-N 374.487 2.320 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 4941519 GURLMHOYIJMHBZ-ZDUSSCGKSA-N 352.818 2.389 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C 5221881 XQIFIDAAIQKEDA-HNNXBMFYSA-N 374.462 2.396 0 40 FEAB CN(C)c1ccc(CCCNC(=O)C(=O)NCc2ccc(F)cc2)cc1 11693747 IAFCISGJUDQZFM-UHFFFAOYSA-N 357.429 2.257 0 40 FEAB CCn1cc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cn1 2055745532 HPJBBFNFDBDZFZ-UHFFFAOYSA-N 374.514 2.085 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H](CC)c2ccccc2)CC1 20807222 FUWGNFQICRJZSI-MSOLQXFVSA-N 350.459 2.289 0 40 FEAB O=C(c1cnc2ccccc2n1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619951 NLAZCQVSXIHDLS-UHFFFAOYSA-N 360.421 2.260 0 40 FEAB Cc1ccc(=O)n(CC2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 585503804 YQTOKFHUIUZILE-UHFFFAOYSA-N 353.348 2.277 0 40 FEAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ncccn2)CC1 11430642 NRKJNFPIJOKXID-UHFFFAOYSA-N 363.421 2.413 0 40 FEAB CCCn1nc(C(=O)NCCNc2nc3ccccc3s2)ccc1=O 45977796 LUCCQALVIIAENP-UHFFFAOYSA-N 357.439 2.105 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCCCC1 7604445 DKFFEOSDVRGDJX-OAHLLOKOSA-N 366.483 2.078 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1ncc(=O)c2ccccc21 8133081 JITVPGVIQSPHPV-CYBMUJFWSA-N 362.389 2.160 0 40 FEAB CNC(=O)C1CCN(Cc2nc3ccccc3c(C)c2C(=O)OC)CC1 32858110 ITVRNODEQDGAIJ-UHFFFAOYSA-N 355.438 2.288 0 40 FEAB Cc1ccc(OCC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 57898161 DEUBVHUJLRWENJ-AWEZNQCLSA-N 362.451 2.207 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCCC2)nc1 22386554 RANSTEVQTVCQTD-UHFFFAOYSA-N 363.421 2.490 0 40 FEAB Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F 870606 CMDJAJYFXCBMBU-UHFFFAOYSA-N 352.329 2.446 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)CN(Cc2ccco2)C2CC2)c1 23146371 QSICTUHWAQOVDM-UHFFFAOYSA-N 371.437 2.350 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 47032685 YPWWYTDQTDPKBA-KRWDZBQOSA-N 352.431 2.416 0 40 FEAB COC(=O)c1ccccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783154 NNTHNYWEGRFKQF-AAEUAGOBSA-N 365.382 2.315 0 40 FEAB in-vitro CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N(C)C)nc1 24032657 PCHRDRIABQVGJV-GOSISDBHSA-N 365.437 2.315 0 40 FEAB O=C(c1ccc2c(c1)OCCCO2)N1CCC(CN2CCOCC2)CC1 47387111 ZTGOKMOVTVPLCJ-UHFFFAOYSA-N 360.454 2.032 0 40 FEAB Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCN(C)CC2)cc1C 22938339 CNFAPFCIDFMHEA-IBGZPJMESA-N 371.481 2.380 0 40 FEAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCCc1ccccc1 56068384 RRXFGNGXBIZXRL-UHFFFAOYSA-N 362.433 2.432 0 40 FEAB CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CCN1C[C@@H](C)O 89949211 WPLPWEWYSRKVMJ-IUODEOHRSA-N 366.437 2.093 0 40 FEAB CCNC(=O)c1ccc(C)c(NC(=O)N2CCN(C(=O)OCC)CC2)c1 58066231 QALHTKZNIMRVLC-UHFFFAOYSA-N 362.430 2.051 0 40 FEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCCCC2)c1 58186130 WUOMSONUUHZHIS-BQYQJAHWSA-N 369.439 2.065 0 40 FEAB Cc1ccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1F 58173555 ODJAKGCDWNNYNJ-UHFFFAOYSA-N 361.402 2.125 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1C(F)(F)F 58194613 YWARXHPSMHYCMT-WDEREUQCSA-N 364.389 2.288 0 40 FEAB O=C(CSc1ccc(O)cc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 47895047 OPGTTZZVJWYAPP-AWEZNQCLSA-N 369.508 2.443 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cn1 45142264 XSQJBRPMKSADGJ-QGZVFWFLSA-N 365.433 2.248 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 45496036 JDYBXYFHBPFJNH-GDBMZVCRSA-N 361.467 2.109 0 40 FEAB O=C1NC(=S)N/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408543355 QNAVCFQTVBXRKT-NTUHNPAUSA-N 367.386 2.326 0 40 FEAB C[C@H]1CCc2c(sc3ncn(CC(=O)NCC(F)(F)F)c(=O)c23)C1 8241827 JBUWLAHMDCSFII-QMMMGPOBSA-N 359.373 2.261 0 40 FEAB CON(C)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12773782 RXNGOGVVUSTLES-UHFFFAOYSA-N 353.469 2.116 0 40 FEAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)OCCO2 48231519 TUPBDMTZANNCBQ-GFCCVEGCSA-N 361.419 2.352 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 12888015 LBMYVGULPIWNTM-INIZCTEOSA-N 373.497 2.147 0 40 FEAB CCCCn1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 16996009 KKCJTQHKGHFLEQ-QGZVFWFLSA-N 368.437 2.101 0 40 FEAB biogenic CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12946154 ULLPYCQUCWYWDD-UHFFFAOYSA-N 373.375 2.324 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCc1ccco1 12902710 MKCIUVFXKSJXIW-UHFFFAOYSA-N 367.405 2.064 0 40 FEAB biogenic CN(CC(=O)Nc1ccccc1C(N)=O)Cc1nc2ccccc2s1 12947293 VQGUALPJGFZTGF-UHFFFAOYSA-N 354.435 2.466 0 40 FEAB CCC(CC)[C@@H](CNC(=O)[C@@H]1COc2ccccc2C1)N1CCOCC1 12937240 ILBOMHRGHXZFIR-RBUKOAKNSA-N 360.498 2.491 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 13070159 SZWXOVDXCNIARR-SNVBAGLBSA-N 367.345 2.356 0 40 FEAB CCCCOc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)c1 13629915 VXXLRBZTHOKOMQ-UHFFFAOYSA-N 355.441 2.373 0 40 FEAB COC(=O)CCn1c(C)cc(C(=O)COc2ccc(C(N)=O)cc2)c1C 6290455 QSKCKVHXONFMEW-UHFFFAOYSA-N 358.394 2.029 0 40 FEAB Cc1cccc2nc(COC(=O)c3cc(Br)c[nH]3)cc(=O)n12 14185673 MQPXFFCCMZXLGJ-UHFFFAOYSA-N 362.183 2.451 0 40 FEAB C[C@@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N1CCOCC1 14159526 DZYCEDWUGHQUMM-SGUJLRQBSA-N 350.469 2.376 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O 14140929 WSPILXNTBFWTAM-UHFFFAOYSA-N 361.486 2.430 0 40 FEAB Cc1cc(C)n(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 14232441 GERIAGVZSPHRNR-UHFFFAOYSA-N 367.453 2.397 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)c1 96021516 OXMINZVYHPNRRQ-MHWRWJLKSA-N 374.393 2.421 0 40 FEAB O=c1c2cccnc2cnn1C[C@@H](O)CO[C@H]1CCCc2ccccc21 77416686 UQIDCMKYBJKJOC-BEFAXECRSA-N 351.406 2.247 0 40 FEAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(O)c(C(=O)O)c1 20153620 CQSHHYKUDVSDKR-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB COC(=O)c1csc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C 95463708 YYTFBOAFQQSQLC-UHFFFAOYSA-N 358.375 2.321 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 9955305 PTZAHHRFHRAYNN-UHFFFAOYSA-N 357.435 2.323 0 40 FEAB CC(C)(C(=O)Nc1ccc(CN2CCOCC2)cn1)n1cc(Cl)cn1 89621013 ZNXZNBYRHUVNJP-UHFFFAOYSA-N 363.849 2.138 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 30976436 DKHFBMRDUOHPSP-UGSOOPFHSA-N 355.394 2.085 0 40 FEAB COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 32999728 JHUNIEDGGUINMQ-QGZVFWFLSA-N 368.433 2.239 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc[nH]c3=S)CC2)c1 30691619 BDLYFESXDPVZGL-UHFFFAOYSA-N 357.435 2.351 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 72390815 MCTMSMYSOVNEBQ-ACJLOTCBSA-N 370.428 2.392 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 49940742 RDZRXHBFADLYRE-LBPRGKRZSA-N 363.405 2.454 0 40 FEAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccc3nsnc3c2)CC1 225569962 ZTXBWVIZTYXQCG-UHFFFAOYSA-N 368.466 2.265 0 40 FEAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045872 MWRHTNHWMBXRCW-FQEVSTJZSA-N 354.450 2.409 0 40 FEAB COc1ccc(C[C@](C)(O)CNC(=O)c2c(C)nc3ccccn23)cc1 77178753 FCGGPSGAMCVWRK-FQEVSTJZSA-N 353.422 2.375 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)Cc1cccs1)C2 96227529 PYVVCLTUKZPRIV-QFBILLFUSA-N 355.463 2.241 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96209046 CPPPREGWDKHVNJ-YWZLYKJASA-N 359.422 2.258 0 40 FEAB Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3c3cc[nH]n3)C2)nn1 332832353 SXGCWZQFSONLIR-WBVHZDCISA-N 369.473 2.414 0 40 FEAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1 96081219 DBUZJFFYBGKYMN-ZIAGYGMSSA-N 356.344 2.167 0 40 FEAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccccc1 96520800 NDROAWJKTICFHD-QMMMGPOBSA-N 358.051 2.208 0 40 FEAB CN(C)c1cccc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1 244983917 IXNKBVPUPNDGBN-UHFFFAOYSA-N 357.433 2.328 0 40 FEAB COc1cccc(Cc2cncc(C(=O)N3CCC(C)(C(N)=O)CC3)c2)c1 257254924 KFGUCPGZWYZMIQ-UHFFFAOYSA-N 367.449 2.409 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 254705494 IPUBDPDXCWXANN-SLEUVZQESA-N 356.875 2.411 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)CCn3ccc(C)n3)CC2)cn1 257204617 AVODLZXJLQPOCU-INIZCTEOSA-N 356.474 2.285 0 40 FEAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc12 1775968947 PNJCDRFWHQVWDE-QOCHGBHMSA-N 351.362 2.262 0 40 FEAB CCN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C)C[C@]12CCOC2 1615590174 ZPOQZNNGTRFONG-NRFANRHFSA-N 368.481 2.426 0 40 FEAB COc1ccc(-c2noc(CN3C[C@H](OC)C[C@H]3c3ncc[nH]3)n2)cc1 643859675 NFKBNMPQZGRDOI-CABCVRRESA-N 355.398 2.430 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNc1cncc(-n2cccn2)n1 664205962 HTWQCHZFLSTRPQ-KBXCAEBGSA-N 353.430 2.459 0 40 FEAB Cc1ncnc(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1C 585108640 PQIYQMZERQHDTR-AOIWGVFYSA-N 368.437 2.077 0 40 FEAB Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n(C)n1 585098235 SKZFDQBAXGURKE-HNNXBMFYSA-N 358.490 2.084 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)NCC(=O)N2CCCc3ccccc32)c1 57269895 KHYLGIWZBJOGJQ-SANMLTNESA-N 370.474 2.274 0 40 FEAB COc1cc(N[C@H](C)C(=O)NC(=O)NC2CCCC2)ccc1NC(C)=O 56162585 HZXOPQRADLTICO-LLVKDONJSA-N 362.430 2.222 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O 8088208 FVEMYUCPLQIOCC-GZTJUZNOSA-N 365.389 2.486 0 40 FEAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)N1CCCC1 5590323 DJBYIYJEUDLTGE-UHFFFAOYSA-N 372.494 2.373 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)cc2n1 12221508 JSIRMINYPBEUFF-OAHLLOKOSA-N 366.425 2.323 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407167 URTMNQSAQXPAHC-QGZVFWFLSA-N 366.400 2.108 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)ccc21 19457110 AIDZMTCURVSYBB-AWEZNQCLSA-N 373.478 2.290 0 40 FEAB CC(C)n1c([C@H]2CCCN(CC(=O)N3CCNC3=O)C2)nc2ccccc21 19715550 UTKVKKGWIJLTMY-HNNXBMFYSA-N 369.469 2.348 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCC(C)CC3)C2=O)cc1 36650216 FLZDUBQBWNXQBW-QJXPYNDKSA-N 357.454 2.457 0 40 FEAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nn12 37132733 WFCYEZQQRSBFCK-AWEZNQCLSA-N 365.393 2.181 0 40 FEAB Cc1csc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)c1 1775986005 OEYXHVBCWHACCT-UHFFFAOYSA-N 356.455 2.155 0 40 FEAB COc1ccc(CN2CC3(CCN(C(=O)[C@@H]4CCOC4)CC3)CC2=O)cc1 1614937460 LPMDTQMFJNZYIQ-QGZVFWFLSA-N 372.465 2.073 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@H](NC[C@@H](O)c3ccccc3)C2=O)cc1 3618413 CEVDMHRNDCXSHC-RBUKOAKNSA-N 368.433 2.431 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374095 QOAJTWXFYBNBAN-AWEZNQCLSA-N 371.368 2.159 0 40 FEAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCC1 17178470 FGIVDUMGIDVIIG-LJQANCHMSA-N 373.497 2.015 0 40 FEAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2)N1CCCCCC1 2055713622 OJIIOMRDTBVWHN-MRXNPFEDSA-N 358.486 2.474 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)CCc3ccc[nH]3)C1)CC2 2055771747 UHGSTLUEKNUYJX-FQEVSTJZSA-N 354.454 2.068 0 40 FEAB CCn1cc(CN2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)cn1 2055751348 MZONACDZCHLUDM-HXUWFJFHSA-N 355.486 2.438 0 40 FEAB CCOC(=O)CCC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 207997795 XHHNNVPJUKXMQD-CQSZACIVSA-N 359.382 2.005 0 40 FEAB O=C(NC[C@@H](c1ccco1)n1cccn1)C(=O)Nc1ccccc1Cl 575614639 ZMUUTFXDJPAUOS-AWEZNQCLSA-N 358.785 2.474 0 40 FEAB COc1ccc(CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 24209779 PHDRUQXMJAHZIA-UHFFFAOYSA-N 374.506 2.385 0 40 FEAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 34302718 CCPXIFCBNOUEBC-GJZGRUSLSA-N 364.442 2.348 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 40090538 LBUOBZDANQRWHR-IRXDYDNUSA-N 374.481 2.248 0 40 FEAB COC(=O)/C(=C/Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 100025822 MGODNBLNAWJMCD-YBEGLDIGSA-N 361.375 2.316 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 1044234 NGYDLIUSYCCCOF-UHFFFAOYSA-N 350.484 2.408 0 40 FEAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCOC 4160927 XCZJKUUVXXEWAM-UHFFFAOYSA-N 363.483 2.394 0 40 FEAB Cc1ccccc1N(CC(=O)Nc1nc2ccccc2[nH]1)S(C)(=O)=O 6647594 MTJJRSNFNKAKDZ-UHFFFAOYSA-N 358.423 2.276 0 40 FEAB COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1 8117451 LNDWLLLHADONJT-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(NCCO)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 8476875 KODUKPPYKGDQQY-UHFFFAOYSA-N 360.776 2.449 0 40 FEAB O=C(COC(c1ccccc1)c1ccccc1)NCCNC(=O)C1CC1 32898685 QBWLCESZPKPELZ-UHFFFAOYSA-N 352.434 2.435 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCNc1nc2ccccc2s1 52564523 ZPADXZDUKISARM-NSHDSACASA-N 358.423 2.236 0 40 FEAB COc1ccc(CCNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC 9993514 NXKMPJLGZIMHIU-CQSZACIVSA-N 356.422 2.240 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102951749 MMGZUKAPDJZPQD-STQMWFEESA-N 360.458 2.221 0 40 FEAB CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 33211955 UJBWWMOURRIPCO-NVXWUHKLSA-N 372.469 2.058 0 40 FEAB COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(Cl)c1OCC(N)=O 29515775 PVJVVZIAVABZJV-PHIMTYICSA-N 354.834 2.331 0 40 FEAB O=C(CCc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42267765 GYDYKMTUPUKZKN-UHFFFAOYSA-N 365.382 2.035 0 40 FEAB CCO/C=C/[C@](O)(CNC(=O)COc1ccccc1F)C(F)(F)F 3186413 KNGYAMPULREUKM-NPQIQWPPSA-N 351.296 2.164 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 24397699 JTHQGVVFTYVICH-VIFPVBQESA-N 357.366 2.333 0 40 FEAB O=C(COc1ccc(CCNC(=O)c2cc(Cl)ccn2)cc1)NC1CC1 55836486 HXJLCWYTUFFZKO-UHFFFAOYSA-N 373.840 2.365 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)cc1Cl 10453764 QOUGJOHKLKJSSD-UHFFFAOYSA-N 373.789 2.492 0 40 FEAB COCCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccncc1 57810828 KDSRTEDBZYSJTO-CQSZACIVSA-N 363.487 2.191 0 40 FEAB COc1cc(C(=O)NCCC(=O)Nc2cccc(C)n2)cc(OC)c1OC 58266148 KXWHPQOVJNSTQX-UHFFFAOYSA-N 373.409 2.174 0 40 FEAB Cc1ccc(-n2nnnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 58209767 HOXFFSVRNPYDQD-HNNXBMFYSA-N 356.474 2.348 0 40 FEAB CC(=O)c1c(SCC(=O)Nc2ccc(F)cc2F)nc(=O)[nH]c1C 10913857 SPRRXUVKMKYCGE-UHFFFAOYSA-N 353.350 2.290 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3459279 ANQPBVDAZBTRMM-XOBRGWDASA-N 357.454 2.440 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2cccc(Br)c2)n1 6315563 WKALYDSJTPAFCB-UHFFFAOYSA-N 357.233 2.161 0 40 FEAB CNC(=O)CCNC(=O)COc1cc2sc(C)nc2c2sccc12 65476196 ZFCHCJJKVBXQHL-UHFFFAOYSA-N 363.464 2.451 0 40 FEAB CCOC(=O)C(NC(=O)Cc1coc2c(C)c(C)ccc12)C(=O)OCC 8940936 FVUXDUMUTGENFO-UHFFFAOYSA-N 361.394 2.203 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2F)cc2c1OCCO2 67124765 AXXUPRDSMGYVAJ-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB CC(C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 71282733 SNFNVMSORVPJRF-UHFFFAOYSA-N 351.406 2.061 0 40 FEAB O=C([C@@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCOCC1 8075245 MISJYUIQKCSLFF-INIZCTEOSA-N 373.482 2.480 0 40 FEAB CN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9638064 XYROPNICSAOUEB-HNNXBMFYSA-N 359.451 2.009 0 40 FEAB O=C(Nc1cccc(-c2nccs2)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 72313613 CXYRAJXLGGKQHW-HZPDHXFCSA-N 358.467 2.483 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC=C(F)C1)C2=O 95464781 PGJVIKLNWCYABU-XIKOKIGWSA-N 351.422 2.209 0 40 FEAB COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1OCC(=O)O 95424274 DBFJIOYPXFKFJL-UHFFFAOYSA-N 373.361 2.160 0 40 FEAB CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1 73870090 GCCBOTQJEJWSEM-UHFFFAOYSA-N 358.463 2.489 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1OC 69079057 NWWKPBBVYTZHNV-UHFFFAOYSA-N 367.423 2.070 0 40 FEAB CCc1ccc(-c2nnc(SCC(=O)Nc3cccnc3)n2N)cc1 27752641 HSZTWQHVAFLYOM-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB O=c1c2cnc(N3CCCCCC3)nc2nc(O)n1-c1cccc(F)c1 67264291 NZARJEZVWGEIRW-UHFFFAOYSA-N 355.373 2.401 0 40 FEAB COc1cc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc(OC)c1OC 33331429 QUGQBWRIIPLVNZ-GHXNOFRVSA-N 351.384 2.357 0 40 FEAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)CC2 524732555 AXHFYSFRUDYSCA-AWEZNQCLSA-N 368.389 2.452 0 40 FEAB O=C1C(CS(=O)(=O)Nc2ccc(Cl)cc2)=NC(=O)n2cccc21 32611919 VMBDQVPQQSFJJY-UHFFFAOYSA-N 351.771 2.189 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218479409 HQWCVMQDADPXSM-BJLQDIEVSA-N 373.474 2.443 0 40 FEAB O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432969 HHBOGWJEQVAYCR-YQQAZPJKSA-N 366.822 2.343 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)NCCN2CCCCCC2=O)c1 48154344 LARWTPNWTZNKJD-AWEZNQCLSA-N 363.458 2.467 0 40 FEAB Cc1nc2cc(C3CCOCC3)nn2c(NCCCN2CCOCC2)c1C 72336874 YMEQDDLDLJVLDX-UHFFFAOYSA-N 373.501 2.374 0 40 FEAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225198020 GORTWZDAIGXZGC-JTQLQIEISA-N 350.843 2.406 0 40 FEAB CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C[C@@H](C)n2ccnc2)s1 565052261 WMTQJYCSWUKJPI-UTUOFQBUSA-N 364.475 2.028 0 40 FEAB COc1ccc([C@@H](C)NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225876627 KWAQMVBESRJXGP-SECBINFHSA-N 369.468 2.323 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 40005335 AOBXGDRWZKUNFU-CHWSQXEVSA-N 358.891 2.484 0 40 FEAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCCO)c2ccccc2)cc1 223540792 RXPBPDKWQQXOET-FQEVSTJZSA-N 370.449 2.284 0 40 FEAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223308766 HPFRAJHHWXKQIF-CQSZACIVSA-N 374.462 2.294 0 40 FEAB Cc1cccc(CN2CCn3c(nn(Cc4ccc(F)cc4)c3=O)C2=O)c1 98213120 OZCMVXSWLMUGCH-UHFFFAOYSA-N 366.396 2.197 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)N3CC(N4CCNC4=O)C3)cc2)cs1 579681920 RMNQRJWEBPCYRR-UHFFFAOYSA-N 371.466 2.038 0 40 FEAB Cc1cccc2c1nc1n2[C@@H](CNS(=O)(=O)c2ccccc2)COC1 96112618 BKXNALPIVZYMPX-AWEZNQCLSA-N 357.435 2.395 0 40 FEAB biogenic,in-vitro Cc1ccc(C(=O)N2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 96216277 VYHSEIPGPRJNHM-PXNSSMCTSA-N 353.422 2.375 0 40 FEAB Cn1ccc(C(=O)N2CCCC[C@@]23CC(=O)N(Cc2ccccc2)C3)n1 96071740 MQILTRVTWWCKMH-FQEVSTJZSA-N 352.438 2.218 0 40 FEAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 96043274 HJEUHCFOGXASRT-QGTPRVQTSA-N 356.426 2.305 0 40 FEAB O=C([C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 96241643 XCIZIJMHJMASBK-MJGOQNOKSA-N 370.493 2.155 0 40 FEAB CO[C@H]1C[C@@H](O)C12CCN(c1ncccc1C(=O)N1CCCCC1)CC2 91663611 RBXFDBVYFCWWJY-SJORKVTESA-N 359.470 2.074 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 257283412 OYEZZTOKFLOIKA-CQSZACIVSA-N 350.430 2.421 0 40 FEAB CCCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)no1 257338006 YVKHFHRLYHTZGS-KSSFIOAISA-N 371.437 2.412 0 40 FEAB O=C(c1nc2ncccn2n1)N1CCN(C2CC2)c2ccc(Cl)cc21 622847389 SPKCWYKHZZNRDJ-UHFFFAOYSA-N 354.801 2.407 0 40 FEAB Nc1ncc2c(n1)CN(C(=O)c1ccc(-c3nc(C4CC4)no3)cc1)CC2 623325755 SLROVTIMCFOEJP-UHFFFAOYSA-N 362.393 2.185 0 40 FEAB O=C1NCCN1c1ccc(F)c(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c1 665978010 PFUDYOFCVPNOTM-QAPCUYQASA-N 369.396 2.303 0 40 FEAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425711 HLUJSQBGJSEQRY-LSDHHAIUSA-N 359.513 2.280 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCCCCC1 585285116 CNZHSHGZVGYPGD-HXUWFJFHSA-N 367.461 2.353 0 40 FEAB O[C@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844721 GZIXWZGEJDJDIK-DGXTUMSLSA-N 370.236 2.005 0 40 FEAB biogenic,in-vitro O=C(CN1Cc2ccccc2C1=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653330639 IFLHQJPIBLEZSF-IAGOWNOFSA-N 350.374 2.072 0 40 FEAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)c1ccc(F)c(F)c1 5241242 PMIYAGNUVOCPJF-UHFFFAOYSA-N 374.299 2.208 0 40 FEAB O=C(CN1CCC(O)(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 12113132 YPIDNSIQIHHWFA-UHFFFAOYSA-N 354.406 2.337 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1cccs1 12146248 XTZKBRABVBMLIP-INIZCTEOSA-N 369.446 2.016 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCCOc1ccccc1 12893556 NWJZTQNWDWXZFO-UHFFFAOYSA-N 373.453 2.217 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C)C2)cc1 16641714 KQEBIVASCICOLX-CQSZACIVSA-N 354.472 2.012 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)ncc2C1 19018655 PTPLSSMKIAZFAL-MRXNPFEDSA-N 356.470 2.277 0 40 FEAB COc1c(C)cccc1C(=O)N[C@H](C)c1cc(=O)[nH]c(N2CCCC2)n1 19235864 LMQUUOKEVWTHNU-CYBMUJFWSA-N 356.426 2.178 0 40 FEAB O=C(c1ccc(F)cc1)c1cn(CC(=O)N2CCOCC2)c2cnccc12 19332225 HBMOMNHJZWKTNC-UHFFFAOYSA-N 367.380 2.265 0 40 FEAB CN(CC(=O)NCc1ccccc1)Cc1ccccc1N1CCOCC1 15038192 MGTZZDXKHKORDA-UHFFFAOYSA-N 353.466 2.271 0 40 FEAB Cn1cnc2cc(C(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 19666117 FNJDLOVMAFRBAM-AWEZNQCLSA-N 352.369 2.248 0 40 FEAB CSc1nc(C)cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)n1 1888890904 VRVQRJXMVOQVLA-UHFFFAOYSA-N 355.471 2.413 0 40 FEAB COc1cccc(N2CCN(c3nc4ccsc4c(=O)n3C)CC2)c1 1888928948 GXZGKXPVGWEUHJ-UHFFFAOYSA-N 356.451 2.330 0 40 FEAB O=C(CCn1cncn1)N1CCc2[nH]c3ccc(Br)cc3c2C1 25551015 HOXPNBIHLBJEQR-UHFFFAOYSA-N 374.242 2.497 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nncn3C(C)C)oc(C)c12 32745338 ZLMOATJALGGRQC-UHFFFAOYSA-N 362.415 2.036 0 40 FEAB Fc1ccc(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc1 35311197 DZWNEOPZQAPDSI-UHFFFAOYSA-N 352.417 2.183 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)CC1 1565555557 KHKORUWUDGUAGN-SHTZXODSSA-N 354.458 2.454 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565542694 VUQGVWOTTGYTEV-VQIMIIECSA-N 356.447 2.215 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3ccccc3Cl)nc3nonc3n12 656932 MAXSGCKJNJKWIL-UHFFFAOYSA-N 373.760 2.163 0 40 FEAB CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1-c1ccccc1 1440767 XGCLPFVIIBCUJH-UHFFFAOYSA-N 350.338 2.285 0 40 FEAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1 11846867 UCBPZINJHCGLBN-KRWDZBQOSA-N 351.447 2.280 0 40 FEAB Cc1cc(N(C)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ncn1 1849035567 OWNKOZKWDUQILY-UHFFFAOYSA-N 360.483 2.216 0 40 FEAB O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCN(c2ccccc2)CC1 13806181 AUMLVUOQNGKBBI-UHFFFAOYSA-N 374.444 2.259 0 40 FEAB O=C(Cc1cccs1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 13854771 KKYOSUNUWFMKMW-UHFFFAOYSA-N 371.462 2.185 0 40 FEAB O=C1CO[C@@]2(COCCN(CC3CCCCC3)C2)CN1c1ccccn1 2055751002 XGESJVKNNFVBIZ-HXUWFJFHSA-N 359.470 2.096 0 40 FEAB COc1ccccc1OCC(=O)NC1CN(c2ncnc3ccsc23)C1 1775975427 HBFUERDWLOXZCR-UHFFFAOYSA-N 370.434 2.084 0 40 FEAB O=S(=O)(c1ccc(Br)cc1)N1CC(Oc2ccncc2)C1 1775973579 KJQFAZYYKWLDNL-UHFFFAOYSA-N 369.240 2.296 0 40 FEAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc1 1775969501 VLKLSOGLGWXFSI-CQSZACIVSA-N 365.430 2.404 0 40 FEAB C[C@H]1Cc2ccc(-c3cc(COC(=O)c4ccc(=O)n(C)n4)no3)cc2O1 38769240 QNQZIKVWIKNQGN-NSHDSACASA-N 367.361 2.116 0 40 FEAB COc1cc2nc(N3CCC[C@H](c4ncc[nH]4)C3)nc(N)c2cc1OC 77525645 BILXEMAQEZSJEY-NSHDSACASA-N 354.414 2.336 0 40 FEAB CN1CCN(C(=O)CNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 30030409 IEQMTSMLWNJYCF-IBGZPJMESA-N 366.465 2.001 0 40 FEAB Cc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1N1CCCC1=O 40040585 BHIMZVJBMBKHHF-UHFFFAOYSA-N 362.389 2.382 0 40 FEAB Cc1noc(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 40106809 QMODRGLKCMQPPB-CHWSQXEVSA-N 358.442 2.159 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 40153881 GMZRNLPROQHZHR-CHWSQXEVSA-N 358.394 2.437 0 40 FEAB COc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1 873822 DULOTLYNLSNVIU-UHFFFAOYSA-N 359.773 2.342 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 2464692 WKQVQKPTHAJTQO-UHFFFAOYSA-N 351.424 2.233 0 40 FEAB CCn1nc(C)c(CN(C)C(=O)Cn2cc(Br)c(C)n2)c1C 2776706 MOGNVKREFHERHI-UHFFFAOYSA-N 368.279 2.446 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 3461082 XRVNNNJMMFPRIK-SFHVURJKSA-N 368.418 2.032 0 40 FEAB COC(=O)c1ccccc1N1C(=O)[C@H]2C(c3ccc(C)cc3)=NO[C@H]2C1=O 101500190 YIDOIDLIGUYRFT-DOTOQJQBSA-N 364.357 2.074 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 6592406 SOZYFXHDHQOZOV-UHFFFAOYSA-N 354.472 2.156 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)NCc2ccc(OC)cc2)c1 6680397 USRGMZLQTRHSPU-UHFFFAOYSA-N 368.480 2.327 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 7249256 YKEOHXXTAUKOEZ-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCCC1 10666605 VYLWANHZXUSNFI-UHFFFAOYSA-N 362.904 2.425 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(CCc2ccccn2)CC1 21786937 UQMUUMHAXNSOSG-INIZCTEOSA-N 357.429 2.375 0 40 FEAB C[C@@H](CNC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1 22012139 IVDMVSOCKHAMQE-SFHVURJKSA-N 352.482 2.119 0 40 FEAB Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)nc1 53279846 GCXKUVKAKSFQAS-UHFFFAOYSA-N 365.480 2.417 0 40 FEAB Cc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 824331 PAWWNTNSRRAAKG-UHFFFAOYSA-N 374.462 2.049 0 40 FEAB Cc1ccc(NC(=O)NC(=O)Cn2cnc3ccccc3c2=O)cc1C 16583082 BCTVVOCNYFPPFF-UHFFFAOYSA-N 350.378 2.362 0 40 FEAB CCOC(=O)C(NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)OCC 24977993 HICDIPSXFVAZDS-UHFFFAOYSA-N 373.405 2.490 0 40 FEAB COCCn1c(-c2ccncc2)nn(CN2C[C@H](C)O[C@@H](C)C2)c1=S 25158928 ZMHUPUXFGRAUOP-KBPBESRZSA-N 363.487 2.189 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)N1CCc2sccc2C1 26386001 ZLTYIAMSAICRGE-UHFFFAOYSA-N 358.467 2.248 0 40 FEAB Cc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 20110586 VXVPZPPVLJBJIC-UHFFFAOYSA-N 366.483 2.031 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ncccn2)CC1 57406325 IVBBDFFJVPHCNZ-LLVKDONJSA-N 365.359 2.043 0 40 FEAB CC(=O)NCCNC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 47627737 CIZIEDKWVJJHCP-UHFFFAOYSA-N 372.400 2.265 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)c1 22229583 WXBQFIHUAGWFJX-AWEZNQCLSA-N 354.472 2.071 0 40 FEAB CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 58218767 BBDBIDFHQMKVLK-GDBMZVCRSA-N 360.458 2.104 0 40 FEAB COc1cc2c(cc1OC)[C@H]1N(CC2)C(=O)CC12C(=O)CC(C)(C)CC2=O 2132685 LLTMLVOHVZYNRZ-LJQANCHMSA-N 371.433 2.478 0 40 FEAB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C[C@H](C)O1 8156239 ODOFIDABCJUYLF-STQMWFEESA-N 352.456 2.223 0 40 FEAB COC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1COCCO1 58709663 KJNMAWVLPZCSBR-LLVKDONJSA-N 354.355 2.286 0 40 FEAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NC(C)(C)C 28649140 GEUHFWCPHFSLSA-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)N(C2CCCC2)CC3)cn1 306126443 DWBUMXCUVGBFRX-OAHLLOKOSA-N 368.485 2.160 0 40 FEAB CN1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1cnn(C)c1)C2 306131722 KNVMSWADMIFVQW-KRWDZBQOSA-N 360.502 2.163 0 40 FEAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 48261896 QDTULRXKGSKHDJ-VIFPVBQESA-N 354.428 2.294 0 40 FEAB Cc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 13734238 YIIGQRLQQYYXRG-UHFFFAOYSA-N 359.389 2.347 0 40 FEAB O=C(COC(=O)c1cc(Br)ccc1F)NC(=O)c1ccco1 14020768 JKVWQSMAZWFUDZ-UHFFFAOYSA-N 370.130 2.295 0 40 FEAB CCn1cncc1-c1nc2c([nH]1)C[C@H](c1cccc(OC)c1)CNC2=O 65507238 IOZASOOCZHMHQE-ZDUSSCGKSA-N 351.410 2.371 0 40 FEAB CCOC(=O)C1=C(CSc2nc3ccccc3n2C)NC(=O)N[C@@H]1C 66058099 NMRQBKLNFDMLET-SNVBAGLBSA-N 360.439 2.184 0 40 FEAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 8726103 JOGRRURMRXZWSX-KRWDZBQOSA-N 370.428 2.274 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1 6823631 YGHMBXGTEAHGKE-UHFFFAOYSA-N 353.400 2.313 0 40 FEAB Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6925443 IPUFHSSVMMKFRQ-MRVPVSSYSA-N 364.633 2.175 0 40 FEAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-n2cncn2)cc1 7279096 UPVHRCNMOKRMSL-UHFFFAOYSA-N 350.378 2.083 0 40 FEAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC2CCCC2)cc1 7375666 ICZFYMYWWTWOKP-UHFFFAOYSA-N 350.362 2.200 0 40 FEAB COc1ccnc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c1 92370374 ULQIOOMZEZBFEI-UHFFFAOYSA-N 366.343 2.466 0 40 FEAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 9060975 XRHNAKUMQJTHNU-CHWSQXEVSA-N 360.888 2.061 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 71283712 HACVAODTVXIYQS-CHWSQXEVSA-N 371.359 2.106 0 40 FEAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCO1 9854238 CNQLYKLTAKAVQI-OAHLLOKOSA-N 374.462 2.026 0 40 FEAB Cn1ccnc1N1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 84331654 XCYAIJFMHGFKTP-UHFFFAOYSA-N 369.252 2.455 0 40 FEAB CN(Cc1ccccc1)C[C@H](CC(=O)Nc1cccc2nonc12)C(=O)O 72405495 OFIASZUVVWPZKO-AWEZNQCLSA-N 368.393 2.384 0 40 FEAB CCOC(=O)CN1C(=O)[C@@]2(CCN(CC(F)(F)F)C2)c2ccccc21 97673632 IPBLJGNZWVAFDT-MRXNPFEDSA-N 356.344 2.102 0 40 FEAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cccc([S@@](C)=O)c2)C1 95460953 XQTPZSKFDDTOFI-CANCMXDXSA-N 361.471 2.447 0 40 FEAB Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)cc1F 22358766 DGPPUWSEQLCPLM-UHFFFAOYSA-N 354.385 2.441 0 40 FEAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)CCC(=O)N2 24892205 JSTZEZLJAZVQGQ-UHFFFAOYSA-N 359.407 2.195 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)c1 64794865 NSBAJZRANXVVOL-UHFFFAOYSA-N 369.377 2.463 0 40 FEAB CC(C)NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O 67225768 RIOGYNBLGRVVER-UHFFFAOYSA-N 371.466 2.014 0 40 FEAB COc1ccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)cc1OC 655258842 NJOSAXZFGMOUOW-UHFFFAOYSA-N 357.410 2.486 0 40 FEAB O=C1C[C@@H](c2noc(-c3ccccn3)n2)CN1c1ccc2c(c1)OCO2 38670999 CSIDSSKRZJWSGW-LLVKDONJSA-N 350.334 2.381 0 40 FEAB Cc1ccc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)nn1 36705726 LLLWMKCZBMSIGC-UHFFFAOYSA-N 368.462 2.427 0 40 FEAB COc1cccc(-c2cncc([C@@H]3CCCN(CC(=O)N(C)C)C3)n2)c1 72359610 VAZXRYUUJUZYJB-MRXNPFEDSA-N 354.454 2.420 0 40 FEAB COc1ccc(CCNC(=O)c2cnn(C)c2-n2cccc2)cc1OC 30877056 UJOVBLCQKXCOQQ-UHFFFAOYSA-N 354.410 2.201 0 40 FEAB COc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 39995584 BKAXKWCAYLMVKG-WMZOPIPTSA-N 359.447 2.336 0 40 FEAB C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)c1ccc(F)cc1 49874859 ATDNFOFJTYJWNY-CYBMUJFWSA-N 356.401 2.457 0 40 FEAB CCn1cc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1=O 131485395 KQEAEJKCAPRMFP-KBPBESRZSA-N 356.426 2.129 0 40 FEAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C 223261592 MWEJTEVXLWZUMI-ROUUACIJSA-N 373.526 2.064 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCCN(Cc3nccn3C)C2)C1 96223485 NJAGUJZWYQEFOL-AZUAARDMSA-N 355.486 2.071 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257217174 CXVUUQCWMNRDAS-QWFCFKBJSA-N 357.454 2.009 0 40 FEAB O=C(O)c1ccc(CN2CCOC[C@@H](Cc3ccc4nccn4n3)C2)cc1 257294295 QTLLPQVYYZLQMM-INIZCTEOSA-N 366.421 2.119 0 40 FEAB COCC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 604383121 NBNLGCIOIFPKFQ-IRFCIJBXSA-N 374.481 2.032 0 40 FEAB biogenic,in-vitro CNC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cscn2)C1 257326281 WWPJTTKHPHUJFG-JTQLQIEISA-N 359.480 2.497 0 40 FEAB Cc1ccc(CC(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)s1 257326774 WYNUBLAIBVYKTR-IBGZPJMESA-N 359.495 2.484 0 40 FEAB COc1ccc(C2(C(=O)N3CCN(c4ncns4)CC3)CCC2)cc1 615805644 NLHVXOCKRGJUBY-UHFFFAOYSA-N 358.467 2.317 0 40 FEAB Cc1noc([C@H]2CN(CC(=O)N(C)Cc3ccccc3C)C[C@@H](C)O2)n1 625906890 YFBKMBVCQABSTD-RHSMWYFYSA-N 358.442 2.107 0 40 FEAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@](C)(CC(=O)O)c2ccc(F)cc2)C1 634829151 OTBZZARXBYWUIY-BFUOFWGJSA-N 374.416 2.093 0 40 FEAB CCOc1cc(CN2CCN(CCc3cnccn3)CC2)ccc1OC 639391650 IBFOCPRQHPPRQS-UHFFFAOYSA-N 356.470 2.244 0 40 FEAB O=C1CC[C@@H](C(=O)Nc2nn(CC(F)(F)F)cc2Cl)n2cccc21 648432281 WDBZAQVYTCJREW-JTQLQIEISA-N 360.723 3.057 0 40 FEAB Cn1cnc(CCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 655666389 CJTYAXRHSPEHSG-HNNXBMFYSA-N 353.430 2.171 0 40 FEAB C[C@H](O)[C@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 679585306 BWQQUBVWIMTPBO-ZFWWWQNUSA-N 354.406 2.212 0 40 FEAB CCc1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)[C@H](C)CC)cc1 575420758 KJVUGKUZAIIDON-HIFRSBDPSA-N 359.513 2.225 0 40 FEAB COc1ncccc1CN1Cc2ccnn2[C@H](COc2ccccn2)C1 585111835 HMXLEPXEJSPNPN-KRWDZBQOSA-N 351.410 2.318 0 40 FEAB CN(C)c1ccc(S(=O)(=O)N2CCN(C)c3cc(Cl)ccc32)cn1 585123497 UITGNTVJADADFW-UHFFFAOYSA-N 366.874 2.446 0 40 FEAB O=C(NCCOC[C@@H]1CCOC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 68561634 LXHPRDZZGXWKAE-CYBMUJFWSA-N 374.416 2.067 0 40 FEAB Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 63949434 BTNMXNGPULOBFN-UHFFFAOYSA-N 366.352 2.031 0 40 FEAB COCCC(=O)N[C@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 12085080 RJQIWRAYPOXHPF-GFCCVEGCSA-N 355.398 2.014 0 40 FEAB Cc1ncc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)n1C 12142923 CNLNWRDRAVXXBB-UHFFFAOYSA-N 354.458 2.333 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(F)c(F)c2)c1=O 12182966 BHFGVJKUCVETPF-UHFFFAOYSA-N 362.361 2.471 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)n1 13009113 AFTOATUKOYIDCJ-UHFFFAOYSA-N 368.466 2.303 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19121813 KQRQOTQMJIHZHL-CQSZACIVSA-N 359.430 2.206 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)no1 19452698 WMMNGPFNLZQRQT-ZDUSSCGKSA-N 356.426 2.321 0 40 FEAB CSc1ncc(C(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)cn1 19574083 USTYXKBBRCPLCK-OAHLLOKOSA-N 370.478 2.275 0 40 FEAB Cc1ccc(S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)s1 225564086 DKBYHWYDUKLVRF-UHFFFAOYSA-N 358.529 2.226 0 40 FEAB O=C1NCC2(CCN(C(=O)Cc3ccsc3)CC2)Oc2ccccc21 12225304 MLVZPUBLXKNHOB-UHFFFAOYSA-N 356.447 2.474 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)Cc2cccnc2)C3)nc1 1888867036 AZZPKBIHVGWNOB-XLIONFOSSA-N 352.438 2.430 0 40 FEAB COc1ccc2nccc(N3CCC(NS(=O)(=O)C4CC4)CC3)c2c1 1889139166 SIPHKRTXUKHMJR-UHFFFAOYSA-N 361.467 2.294 0 40 FEAB Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)s1 1614939793 ZMLVKUSXKAGFKZ-SFHVURJKSA-N 351.516 2.467 0 40 FEAB Cn1cc(N2C[C@]3(CCN(C(=O)/C=C/c4cccs4)C3)CC2=O)cn1 1614937334 IODPJDVGHMBVFA-SHCNBLLESA-N 356.451 2.150 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 1565544550 LAVMQGIJQJMYRX-UHFFFAOYSA-N 374.456 2.472 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(C)on3)cn2)cc1 13809213 FXIQXKCERBCENU-UHFFFAOYSA-N 354.366 2.244 0 40 FEAB C[C@H](c1ccccc1)N1CCC(Cn2nc(-n3cncn3)ccc2=O)CC1 585500541 KAXPNTATVRQHEL-MRXNPFEDSA-N 364.453 2.297 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(Cn3cncn3)cc2)n1 40121582 JEOAJMNCNRWGCB-CQSZACIVSA-N 352.442 2.206 0 40 FEAB CC(C)(C)OC(=O)NCCCN(C[C@@H]1CNC(=O)C1)C(=O)OC(C)(C)C 1857794853 NJTCSPWQKQGEHT-ZDUSSCGKSA-N 371.478 2.274 0 40 FEAB CCOC(=O)[C@@H]1CCCN(Cn2c(=O)c3ccccc3n3nc(C)cc23)C1 28890946 QTRXMOPODZVBNL-OAHLLOKOSA-N 368.437 2.190 0 40 FEAB CC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 11534095 HBDFYMIWSCZSQA-HNNXBMFYSA-N 367.467 2.225 0 40 FEAB COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 898541 QDNMFIYGVRUVCE-RTWAWAEBSA-N 369.417 2.405 0 40 FEAB biogenic,in-vitro CN1N=C(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1=O 101779237 FTJHKFGIEYQXMI-UHFFFAOYSA-N 365.315 2.438 0 40 FEAB CN1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)Cc2ccccc21 68860780 XDUGLCYRCNNFQG-UHFFFAOYSA-N 370.428 2.104 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1ccccc1F 10297486 GJRWOULLGNEXTD-CQSZACIVSA-N 351.301 2.263 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1C 10301373 PJTAHEQILAZFTL-UHFFFAOYSA-N 368.499 2.273 0 40 FEAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3cccc(O)c3)C2=O)cc1 100609071 ZKJXFXLDQWATDV-MRXNPFEDSA-N 354.362 2.313 0 40 FEAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc2ncc(Br)cn2n1 2791838 OHMXZSSNPGBHOI-MRVPVSSYSA-N 363.219 2.025 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2[C@@H]1CC=CCC1 9289477 DFZROZILPGRGAB-AEFFLSMTSA-N 370.501 2.264 0 40 FEAB COc1cccc(NC(=O)[C@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 33040185 HWCZDAUXYPIGGN-FUHWJXTLSA-N 374.462 2.152 0 40 FEAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(Cc3ccncc3)CC2)c1 52984862 CEYRTAMOOBNUAM-UHFFFAOYSA-N 356.401 2.137 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1 53666685 SDWRKCZZLAAYLG-UHFFFAOYSA-N 372.490 2.091 0 40 FEAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 42267224 OOBFPOFSWJEHKP-UHFFFAOYSA-N 359.403 2.065 0 40 FEAB COc1ccccc1-c1cc(COC(=O)CN(C)c2ncccn2)on1 23174064 AUZYFDMGBKCJOT-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB CN1CCO[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccncc2)C1 105471681 CSKQKZJIRACOHR-HXUWFJFHSA-N 363.465 2.355 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cc(F)cc(F)c1)OCCO2 12548405 FDWZAMSNHGCJKB-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB Cc1cc(C)c2nc(NC3=NCN(C[C@@H]4CCCO4)CN3)nc(C)c2c1 19330263 HOWADJHXBXKPSZ-HNNXBMFYSA-N 354.458 2.322 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NOC)ccc2C)cc1 24925956 UOWQRMRXJBPEBK-UHFFFAOYSA-N 364.423 2.486 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 47789036 ORHCKXBWDPVKAS-LLVKDONJSA-N 361.427 2.407 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 20012884 VMXHBOOADGRBSU-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB Cc1cccc(OCCC(=O)NCc2cccnc2-n2cncn2)c1C 58209030 OJUCDNGRRUNLSP-UHFFFAOYSA-N 351.410 2.364 0 40 FEAB COc1cc(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)ccn1 58246554 KCXZOHGPDSVGSD-SFHVURJKSA-N 357.479 2.497 0 40 FEAB CCOc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OCC 3342154 JLYZBOBIRBKUFB-KBPBESRZSA-N 365.426 2.277 0 40 FEAB Cc1ccccc1OC[C@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 58305218 NBSBQDVRJSWZQW-LSDHHAIUSA-N 359.426 2.359 0 40 FEAB O=C1O[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)Cc2ccccc21 28089785 JMCKTPLCMACBOP-GOSISDBHSA-N 364.401 2.211 0 40 FEAB COc1ccc(C)cc1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 17853043 PIMCMNQJJSAULP-CYBMUJFWSA-N 362.451 2.071 0 40 FEAB Cc1cccn2cc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)nc12 13038778 SYKBJSZRGGFTOW-UHFFFAOYSA-N 370.478 2.149 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140094 HLPWLINRRWMYGI-WOSRLPQWSA-N 365.311 2.186 0 40 FEAB Nn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccncc1 6508991 QQQHVCSCZXSLJI-UHFFFAOYSA-N 351.395 2.396 0 40 FEAB COc1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1OC 6659901 VNBJGSMWXRUXLP-UHFFFAOYSA-N 368.393 2.228 0 40 FEAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc[nH]c1=O 6970712 FFFBKMYKDHSHSR-UHFFFAOYSA-N 351.200 2.418 0 40 FEAB O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)NCc1ccccc1F 7212203 SWIXVTWUOMOMOP-UHFFFAOYSA-N 354.337 2.140 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(C1=CCCCC1)C1CC1 7421326 CZZPKVYGZOCQDD-UHFFFAOYSA-N 360.435 2.280 0 40 FEAB Cc1cc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)n2ncnc2n1 67904399 BPOHBVDPYYBGHC-GFCCVEGCSA-N 367.331 2.303 0 40 FEAB Cc1nnc2ccc(N3CCN(C/C=C/c4ccc(F)cc4)CC3)nn12 93272997 BIRQWRWCLVKTTE-NSCUHMNNSA-N 352.417 2.407 0 40 FEAB CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20111159 FLNRVYBUPAZSOI-UHFFFAOYSA-N 368.499 2.157 0 40 FEAB CC(=O)N[C@H](C(=O)OC1CN(C(=O)OCc2ccccc2)C1)C1CCCC1 95444272 HOKYUNFJBMIQKG-SFHVURJKSA-N 374.437 2.246 0 40 FEAB CN1CCN(c2ccc(CNC(=O)Cc3ccc4c(c3)CCC4)cn2)CC1 73561095 FTGWPHOFWRNMKD-UHFFFAOYSA-N 364.493 2.181 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)N2CCc3ccc(C(=O)O)cc3C2)cc1 95991903 KRNPFKVBLYTWJU-RUDMXATFSA-N 364.401 2.343 0 40 FEAB O=C(O)C[C@@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1cccs1 95989366 OGUJPZNDLXOCQL-CQSZACIVSA-N 369.402 2.449 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1cnc([C@@H]2CCCO2)s1 89650166 ULJVLYIYOKIFSE-LBPRGKRZSA-N 361.471 2.285 0 40 FEAB CCn1cc(CN2Cc3ccnn3C[C@H](Oc3ncccc3F)C2)cn1 306126692 FCDUIKTXYCIFKK-MRXNPFEDSA-N 356.405 2.097 0 40 FEAB CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2c(n1)c(C)nn2C 28557561 WYSVAHOTROTZET-UHFFFAOYSA-N 364.453 2.197 0 40 FEAB CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 548263795 ZZAXBLFFVCPKOH-DLBZAZTESA-N 363.435 2.246 0 40 FEAB COc1cc(NC(=O)C(C)C)c(C(=O)OCc2nnc(C)o2)cc1OC 39574492 IMFFJWQSDCFBJH-UHFFFAOYSA-N 363.370 2.347 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]2c2ccc(O)nn2)cnn1-c1ccccn1 530075649 JQZJQCQYODJQDC-HNNXBMFYSA-N 350.382 2.049 0 40 FEAB COC(=O)[C@]1(F)CCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 74776854 CTYNUMQUCMMNSH-KRWDZBQOSA-N 359.336 2.022 0 40 FEAB C[C@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@H]1[C@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@@]12C 35465110 LLKIVVHUJOPYIV-LUCSORFTSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)(C)C)cc1C 30319340 DZGDJUNHJYHCIG-UHFFFAOYSA-N 356.488 2.319 0 40 FEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1CCOC 223001965 QBMBWJBRDCLPSF-DLBZAZTESA-N 360.483 2.148 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)s1 223825701 QEAGWIRYWGZRLL-QMMMGPOBSA-N 358.420 2.065 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@H]1C(F)(F)F 575078579 PLNFIVNZBXRPGI-RNFRBKRXSA-N 355.110 2.112 0 40 FEAB O=C(NCc1nccc(C(F)(F)F)n1)N[C@@H]1COc2ccc(F)cc2C1 577362059 BQOBSAYWZNJURT-NSHDSACASA-N 370.306 2.437 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(OC)nn3)C2)cc1 95480248 PFTUFGAJPKSKIF-HNNXBMFYSA-N 356.426 2.027 0 40 FEAB CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2csc3ccccc23)C1 331935302 IWPSVUSSYSAOBO-LBPRGKRZSA-N 367.496 2.326 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)cc1 583622150 SKLYDMNSOPTCTI-QUCCMNQESA-N 357.454 2.476 0 40 FEAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)C1 96228903 JLSNROKNIREKIS-FQEVSTJZSA-N 357.454 2.120 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ccccn2)C3)cs1 248067055 XJSBIPRIGCJPND-OAHLLOKOSA-N 359.451 2.437 0 40 FEAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccccc1 247491412 MSIULTNUBGMLTQ-GOSISDBHSA-N 354.454 2.239 0 40 FEAB Cc1cccc(N2CCN(C(=O)NCc3ccc(C)n(C)c3=O)CC2)c1C 279104150 VHZMMCKJGQMTCB-UHFFFAOYSA-N 368.481 2.342 0 40 FEAB CO[C@@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)c1cccc(Cl)c1 673980070 ODDUGAXKQUCKOZ-HNNXBMFYSA-N 351.834 2.044 0 40 FEAB COc1ccc(C(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cn1 681025042 ZPMSLDCZKAWBLR-OAHLLOKOSA-N 352.456 2.052 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 608626608 OAIPKGJIOZBNGH-ZDUSSCGKSA-N 356.426 2.008 0 40 FEAB CC(=O)N1CCc2cc(C(=O)N3C[C@@H](N)CC[C@H]3C(F)(F)F)ccc21 622761606 SKJMPTXBFLFLIQ-ZFWWWQNUSA-N 355.360 2.090 0 40 FEAB C=CC(=O)N(C)CC(=O)N=[S@](C)(=O)c1cccc(Br)c1 1647898789 SYCJYIBGHGACAP-HXUWFJFHSA-N 359.245 2.077 0 40 FEAB O=C(NCCn1cccn1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 655548080 CNZKKZABWJNNDF-CYBMUJFWSA-N 360.380 2.274 0 40 FEAB O=C(NCCn1ccc(-c2ccccn2)n1)c1cc2ccccc2oc1=O 96098892 SMRCGLCGMZMXDV-UHFFFAOYSA-N 360.373 2.482 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cnccn2)o1 585097596 NGRMSVBWUCLMSS-HNNXBMFYSA-N 353.382 2.068 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102861 LIDUMUMRICLIAV-RXVVDRJESA-N 374.456 2.246 0 40 FEAB CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccnc(C3CC3)c1)CCO2 679991155 WBIMOEYYHZFOBY-UHFFFAOYSA-N 358.419 2.402 0 40 FEAB CC(=O)N1CCCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585288865 KHUSJZIHTUQRFT-IPMKNSEASA-N 350.434 2.041 0 40 FEAB Cn1cc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1=O 50337357 CKIULJUIHJZZAB-UHFFFAOYSA-N 360.435 2.354 0 40 FEAB Cc1nn(C)c(C)c1CN1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615131284 SYLOFJRIVGHYCO-FQEVSTJZSA-N 372.444 2.184 0 40 FEAB COc1ccc(-c2nnc3s/c(=C\c4cccs4)c(=O)n23)cc1OC 2397076 GGGMEVCXMFCKGC-ZROIWOOFSA-N 371.443 2.444 0 40 FEAB Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 12086072 NVLOEBQENWHZKZ-AFBRZQFHSA-N 366.421 2.325 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12183469 UAQAKPFKUGQDIA-HOTGVXAUSA-N 371.481 2.390 0 40 FEAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 12614768 BFDKMBXMZKPUMT-FQEVSTJZSA-N 368.364 2.411 0 40 FEAB O=C(Nc1cccnc1)C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13692511 DBNLHSFGZWZHDA-SFHVURJKSA-N 367.405 2.099 0 40 FEAB COC(=O)[C@](NC(C)=O)(Nc1nc2c(F)cccc2s1)C(F)(F)F 16977315 FLZVVXPKOSHKAY-LBPRGKRZSA-N 365.308 2.415 0 40 FEAB O=C(N[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1)c1cnccn1 19749728 BBNOAGBBEWSFHS-KRWDZBQOSA-N 370.428 2.359 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=S 8333764 UCXNGEBZGBBARY-QPEQYQDCSA-N 367.448 2.386 0 40 FEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390828834 URXOTIDOIUZAHO-TZMCWYRMSA-N 352.435 2.304 0 40 FEAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@@H]1CCN(C2CCOCC2)C1 1888922172 PIYKGJMEQKDSHQ-GOSISDBHSA-N 372.444 2.059 0 40 FEAB COC(=O)[C@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1 24097051 UQOTYOUNLNSXDL-OAHLLOKOSA-N 368.480 2.002 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCC1(N2CCOCC2)CCSCC1 1776008380 FMSHJCLWBJMQOI-INIZCTEOSA-N 364.511 2.168 0 40 FEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)NCc1ccccc1 320404465 ZTFQOICRRRIGQY-UHFFFAOYSA-N 373.206 2.295 0 40 FEAB Cn1cccc1CN1CCOCC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1565542494 IENAUVUTHXOMHR-UHFFFAOYSA-N 356.470 2.108 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)cc1 1588104043 URLWAAXLCWVIOS-NRFANRHFSA-N 366.417 2.449 0 40 FEAB CC(C)CN1C(=O)N[C@@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O 2264803 SPXRFFXFQGXURS-CQSZACIVSA-N 361.295 2.022 0 40 FEAB CCN(CC)CCn1c(S)nc2cc(C(=O)N3CCCC3)ccc2c1=O 20645263 FZKYWIPFTIAKRF-UHFFFAOYSA-N 374.510 2.263 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1nccnc1-c1cccs1 575619216 BAOBADKVBIFLCP-UHFFFAOYSA-N 350.425 2.288 0 40 FEAB COC(=O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 9464947 DJJQNKBLKYIWHC-MHWRWJLKSA-N 366.398 2.009 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 30032317 YYWCNOQLRQGLAS-MEBBXXQBSA-N 371.418 2.172 0 40 FEAB COCCn1nc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1=O 30682337 MXHDYCPZXZJUMG-XXWNAHEMSA-N 359.470 2.224 0 40 FEAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCCn3nccc3C)c12 36615928 LTUOWEYPNSDKJA-UHFFFAOYSA-N 364.409 2.472 0 40 FEAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ncnn12)Cn1cccn1 36618923 YRJFIWQGALYUOG-AWEZNQCLSA-N 361.409 2.054 0 40 FEAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1-n1cnnn1 1342009 SAGQIRFTCPPVCR-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB COCC(=O)Nc1cccc(CNC(=O)C2=Cc3ccccc3OC2)c1 29260913 AVRWYWPJOODDGD-UHFFFAOYSA-N 352.390 2.364 0 40 FEAB O=C(O)CC[C@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 2700772 ICUZCWOFVITVBP-BBRMVZONSA-N 370.405 2.063 0 40 FEAB Cc1cc2oc(=O)cc(CN(C)[C@@H]3CCS(=O)(=O)C3)c2cc1Cl 20679348 BAUWZKPBJIHCOW-GFCCVEGCSA-N 355.843 2.374 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc(Cl)s1 101766028 WARLGMCDNYVJQK-UWVGGRQHSA-N 369.826 2.303 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967580 ZCSDJVGKLBEGCJ-DOTOQJQBSA-N 374.481 2.394 0 40 FEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC1 10010144 RNECVOOSTZHDBI-UHFFFAOYSA-N 354.497 2.186 0 40 FEAB COc1cccc([C@@H](CNc2nn3c(=O)cc(C)nc3s2)N(C)C)c1 32905148 VZZXPFUSVOTQMD-CQSZACIVSA-N 359.455 2.183 0 40 FEAB Cc1ccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cn1 32936763 YESNNDOBWUEFND-UHFFFAOYSA-N 362.474 2.063 0 40 FEAB C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2ccnc2)cc1 32900023 GDLCYOOPJNCXLU-AWEZNQCLSA-N 359.389 2.371 0 40 FEAB CC[C@@H](C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325319 PCUYKWNEBCKZSD-VXGBXAGGSA-N 367.496 2.500 0 40 FEAB COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 793353 WKOGRHIUAHYNMW-OAQYLSRUSA-N 367.401 2.284 0 40 FEAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(C)=O)=NN2c1ccccc1 100933678 WRJOXENWIHHHEC-WMZOPIPTSA-N 363.373 2.018 0 40 FEAB Cc1ccc(N2N=C(C(=O)Nc3ccc4oc(C)nc4c3)NCC2=O)cc1 24652470 KBECWXRVKFGXGF-UHFFFAOYSA-N 363.377 2.333 0 40 FEAB C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CC(=O)N2 47154090 WORYFOOOPWKMHR-LLVKDONJSA-N 373.434 2.467 0 40 FEAB Cc1ccc(-n2nnnc2N2CCC(C(=O)NCc3ccco3)CC2)cc1 58181168 NWADLLUIZVBHMT-UHFFFAOYSA-N 366.425 2.097 0 40 FEAB Cc1ccc([C@H](CNC(=O)C2CCN(c3ncccn3)CC2)N(C)C)cc1 58251063 KSAVMDIBOUEUGG-IBGZPJMESA-N 367.497 2.421 0 40 FEAB C[C@H](NC(=O)NCCC(=O)N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 45123380 RVDQCEWNMUPUGK-AWEZNQCLSA-N 372.469 2.408 0 40 FEAB O=C(NCCc1nnc2ccccn12)c1cccc(Nc2ncccn2)c1 28101139 IDUIUUKUPGIRRZ-UHFFFAOYSA-N 359.393 2.235 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2O)cc1 10745077 CTFIZMDOIQJRGG-UHFFFAOYSA-N 362.451 2.150 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCOc1ccccc1 8186897 HLCHBXPPCIGEIE-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCC2)c1)N1CCCCCC1 48286697 VITQKWVOEDFTDP-UHFFFAOYSA-N 352.504 2.282 0 40 FEAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)C2CC2)CC1 12806470 CVRAMCFEXFRMJI-UHFFFAOYSA-N 364.829 2.196 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCCC[C@@H]1C 3491508 LGPQEMGSKRQONA-ZDUSSCGKSA-N 361.471 2.472 0 40 FEAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccccc1 3431446 VWAPDKDUTKTCEV-UHFFFAOYSA-N 363.373 2.138 0 40 FEAB CC1(C)Cc2sc3c(=O)n(CC(=O)NCc4ccco4)cnc3c2CO1 13723469 IJFBCBGLQUWYNA-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 5270309 WPHURRRHLWHTEI-UHFFFAOYSA-N 350.378 2.384 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccccc1F)C2 5274311 IVOURYIBHQDFAH-AWEZNQCLSA-N 368.412 2.115 0 40 FEAB CCn1c(SCC(N)=O)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409158989 MFDALRIHIMZSFE-CQSZACIVSA-N 361.471 2.003 0 40 FEAB O=C(Cc1cn2ccsc2n1)N[C@H](CN1CCOCC1)c1ccccc1 14084213 UGODVGGOCDJIRX-QGZVFWFLSA-N 370.478 2.128 0 40 FEAB COc1ccc2cc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2c1 14198133 KBIQPZWYHPGMJO-KBPBESRZSA-N 364.467 2.292 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)Nc1ccccc1Cl 14227173 PEWLRPYVKDAJKU-LLVKDONJSA-N 363.801 2.148 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCCCC1 6580052 XBTOPLDSWOYVBA-UHFFFAOYSA-N 353.488 2.060 0 40 FEAB CCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1N 5555191 CYRXNDAPTJQBAV-UHFFFAOYSA-N 370.276 2.438 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 8747540 UVYHTQYHVBQQFL-UHFFFAOYSA-N 364.877 2.088 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)cc(OC)c1 4934201 UAUHLLVEBFOPSJ-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)NC[C@H]4CCCO4)c23)C1 5937671 YDKFXCXXKRFWBY-NWDGAFQWSA-N 361.467 2.490 0 40 FEAB Cc1cc(C)c(CNC(=O)CCc2nc(-c3ccsc3)no2)c(=O)[nH]1 7118628 JGFIBVXUMNMQCW-UHFFFAOYSA-N 358.423 2.352 0 40 FEAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 22531930 CWWBKNIJTGQWDP-GFCCVEGCSA-N 359.879 2.105 0 40 FEAB O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)NCCc1nc[nH]c12 8996887 TTZUUCKHEJDGPQ-UHFFFAOYSA-N 360.845 2.106 0 40 FEAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 71279377 DDJJSFVTFVMSJW-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(OC(F)(F)F)c1 71840522 RHLDENGXSSACRH-UHFFFAOYSA-N 368.377 2.074 0 40 FEAB CCc1ccc(S(=O)(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)cc1 83825239 VNOLUJZHXXLNDB-QGZVFWFLSA-N 367.492 2.313 0 40 FEAB COc1cc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1C 76494761 LTAGGMZSPWEKIM-WBVHZDCISA-N 353.484 2.360 0 40 FEAB COCCOc1ccc(F)cc1S(=O)(=O)Nc1cncc(Cl)n1 97117277 LGJRYJBIJCIELV-UHFFFAOYSA-N 361.782 2.095 0 40 FEAB CC(C)[C@@H](C(=O)NC[C@H]1COCCO1)n1cnc2cc(F)c(F)cc21 84409228 UBCQWSIBTPJODB-ZBEGNZNMSA-N 353.369 2.043 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1ccco1 111999809 ZYFMHORTWNMFMT-AWEZNQCLSA-N 351.301 2.263 0 40 FEAB COCCCNC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61719029 WYTYVHDVAUNXSL-UHFFFAOYSA-N 350.802 2.374 0 40 FEAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc(O)c(Cl)cc12 11865662 DGKFDADMJOAQJL-OAHLLOKOSA-N 367.785 2.228 0 40 FEAB biogenic Cc1noc(C23CC(CN2C(=O)Nc2cn(Cc4ccccc4)nn2)C3)n1 529071601 OBEUNHOXPKJVNO-UHFFFAOYSA-N 365.397 2.171 0 40 FEAB COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2C1=O 31807829 RNORKIRVVXEBFN-UHFFFAOYSA-N 374.422 2.156 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 72376970 NKWCAJRJBLWAMA-INIZCTEOSA-N 356.426 2.434 0 40 FEAB CN(C)C(=O)CN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 72378332 GYQVLSQUHJIWCM-KRWDZBQOSA-N 360.433 2.395 0 40 FEAB CN(C)C[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O 31959610 YWWBWLFRIHSVJG-HXUWFJFHSA-N 357.454 2.239 0 40 FEAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCN(Cc3cc(C)no3)CC2)cc1 32845129 QXHPUENWSAJDKZ-HNNXBMFYSA-N 370.453 2.330 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)nc1 562710125 CHAKLZMURDRIIT-OAHLLOKOSA-N 363.421 2.228 0 40 FEAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21 40267028 GMQIOYAFWYDBIU-KRWDZBQOSA-N 369.396 2.054 0 40 FEAB COc1ccc(OCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 224345101 ODCBLDLPTBGOOF-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB Cc1noc(-c2ccn3c(CNC(=O)Cc4ccsc4)nnc3c2)n1 225746394 RLFCXVMIBPWCPK-UHFFFAOYSA-N 354.395 2.008 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 137867286 YVDSSLWUAOYAIG-MCXNIAKKSA-N 364.401 2.236 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](Oc2cccnn2)C1 225458127 SHYURTRTWVZYAA-HNNXBMFYSA-N 370.434 2.257 0 40 FEAB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(F)c(F)c1 223991273 BVCLGEXKCUMSBH-UHFFFAOYSA-N 358.410 2.347 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccco1)c1cccs1 225589194 LMYOXWKKNICSNC-HNNXBMFYSA-N 368.436 2.160 0 40 FEAB COc1cc(N2CCC3(CC2)C[C@@H](N(C)Cc2ccco2)CO3)ncn1 96158685 ARFCDTNUGSJCKX-OAHLLOKOSA-N 358.442 2.338 0 40 FEAB Cn1cc(CN2CCc3ncn(C)c3[C@@H]2COCc2ccccc2)cn1 96187728 QVDAKGSVAIYHML-IBGZPJMESA-N 351.454 2.470 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 96227317 YDUUOEDIJZCELO-NVXWUHKLSA-N 354.447 2.462 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 96043079 KAVQVIZSVGXKCO-JCGIZDLHSA-N 357.479 2.439 0 40 FEAB O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607511 MVVNKXHLWJGQEH-UHFFFAOYSA-N 367.327 2.472 0 40 FEAB O=C(c1noc2c1CCCC2)N1CCC2(CC(Nc3ccncn3)C2)C1 257303586 SHVWEAFUWSESNF-UHFFFAOYSA-N 353.426 2.450 0 40 FEAB CN(C(=O)c1ccnc(Cc2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 257275586 NPYWPRJQPFFGHX-KRWDZBQOSA-N 362.426 2.071 0 40 FEAB Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@H](c4ccco4)C3)C2)nn1 370322718 BFQLJTNSSNAZGP-RDJZCZTQSA-N 371.441 2.130 0 40 FEAB COc1ccc([C@H](CO)CNC(=O)c2cc(C(F)(F)F)cnc2O)cc1 636020220 RQMMLGRDYUPNJD-NSHDSACASA-N 370.327 2.321 0 40 FEAB CCCn1c(CN2CCC[C@](O)(CC(=O)N(C)C)C2)nc2ccccc21 643754607 AWXKPSFXBWAHLY-FQEVSTJZSA-N 358.486 2.252 0 40 FEAB Cc1c(F)cccc1C(=O)N[C@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C 1775996870 LIRNUJJLIQLUMW-KDOFPFPSSA-N 372.444 2.388 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2cccs2)co1 96119009 MAHCVJYTGANITE-UHFFFAOYSA-N 360.395 2.452 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829386 YGBKPMHBPOFPBQ-QGZVFWFLSA-N 367.384 2.154 0 40 FEAB O=C(c1cccc(O)c1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 575404922 POIXOOAQMLSQKR-IHPCNDPISA-N 368.433 2.481 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)CCc2cc(O)no2)C1 585276895 PSCYPQWMGFTUBR-LJQANCHMSA-N 360.410 2.054 0 40 FEAB CC(C)(CNc1nc(NCCO)c2ccccc2n1)[C@]1(O)CCCOC1 664552198 IHGIXTJWEBQXFI-IBGZPJMESA-N 360.458 2.014 0 40 FEAB O=C(NCCNc1cnccn1)c1cnn2c(-c3ccccc3)ccnc12 52578810 GZRRUOMYGQUBOH-UHFFFAOYSA-N 359.393 2.028 0 40 FEAB CCOc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 53347004 FYWJVZGDVYQYTA-NSHDSACASA-N 360.863 2.349 0 40 FEAB CC(=O)N1CCC(N2C[C@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)CC1 1615118917 FNBXPMLZRXLIRG-TZIWHRDSSA-N 355.482 2.136 0 40 FEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 1642744 OPIFEPSSCWNBEK-MRXNPFEDSA-N 364.442 2.395 0 40 FEAB O=C(Cn1cnc2ccccc21)Nc1cccc(C(=O)N2CCOCC2)c1 19657573 BAMVXDKQHVXMIK-UHFFFAOYSA-N 364.405 2.147 0 40 FEAB CC(C)(C(=O)N1CCC(c2nnc3n2CCNC3)CC1)c1cccc(F)c1 19711266 SABWBHJWUPUPTK-UHFFFAOYSA-N 371.460 2.204 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(Cl)cc1)C3 19821129 TXPNGCSJWXTNHR-SNVBAGLBSA-N 355.781 2.188 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888913996 UTTBMAJNEATLHU-UHFFFAOYSA-N 371.514 2.441 0 40 FEAB OCCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 25718724 PQLDUDSPIVEYQJ-UHFFFAOYSA-N 362.499 2.197 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)n(C)n1 2056223327 GCKBXJDYPNNIDK-LJQANCHMSA-N 354.458 2.041 0 40 FEAB CCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305635 OYRJKBJHXPEUCP-MRXNPFEDSA-N 357.479 2.494 0 40 FEAB CC1CCN(C(=O)Cn2c(S(=O)(=O)C(C)C)nc3ccccc32)CC1 4304867 RMANULALSRAWIU-UHFFFAOYSA-N 363.483 2.477 0 40 FEAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccncc1 12069874 ZPBFOAKERJCOCI-UHFFFAOYSA-N 367.380 2.428 0 40 FEAB Cc1cc(C(=O)N2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)no1 2055734728 PDNCJUMEZFJFBQ-UHFFFAOYSA-N 374.416 2.297 0 40 FEAB CCOC(=O)CCC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 207997837 XHHNNVPJUKXMQD-AWEZNQCLSA-N 359.382 2.005 0 40 FEAB COc1nn(C)cc1-c1nnc(SCC(=O)OCc2ccccc2)n1C 12422587 PSWATTHPEGCIBJ-UHFFFAOYSA-N 373.438 2.060 0 40 FEAB CSc1ccc(-c2csc(NC(=O)CN(C)S(C)(=O)=O)n2)cc1 40073715 PWWGBSOLZSGSDH-UHFFFAOYSA-N 371.509 2.362 0 40 FEAB CN(CCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)CC(F)(F)F 40107501 QKZCAHROSMSTMY-GFCCVEGCSA-N 361.339 2.252 0 40 FEAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1cnccn1 2457385 AVRRCVHBNUQKAU-JXFKEZNVSA-N 374.485 2.325 0 40 FEAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(N)s1 8066744 UDIRDQKALHRDPF-UHFFFAOYSA-N 351.482 2.481 0 40 FEAB O=C(COCc1nc2ccccc2s1)Nc1ccc(-n2cnnn2)cc1 8131388 ITTOXAGBFAXNPJ-UHFFFAOYSA-N 366.406 2.427 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)[C@@H](CC(C)C)NC(N)=O)o2)cs1 29564531 YDBLGWREKXGARL-GFCCVEGCSA-N 350.444 2.411 0 40 FEAB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4497852 VBMJQVCQKSHJTL-UHFFFAOYSA-N 368.499 2.019 0 40 FEAB O=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1cccc(Cl)c1 29766920 XADHOPJKGGZTSN-UHFFFAOYSA-N 360.801 2.062 0 40 FEAB COc1ccc([C@H](CNCc2c(C)nn(C)c2C)N2CCOCC2)cc1 32740385 NDPFAABCINARSR-FQEVSTJZSA-N 358.486 2.209 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 8324287 KGCNUISNMBQJKP-JTQLQIEISA-N 374.871 2.027 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 32753703 HIBRYKLYSWBFQV-UHFFFAOYSA-N 351.362 2.188 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 32960792 MFSGERBPRMOOKZ-MRXNPFEDSA-N 373.497 2.429 0 40 FEAB CNC(=O)CN1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 57681904 CTNHYUOUYHADMT-UHFFFAOYSA-N 367.478 2.226 0 40 FEAB Cc1cccc(NC(=O)C2CCN(CC(=O)NCc3cccs3)CC2)n1 53162210 LLNMIEJNLOSTIK-UHFFFAOYSA-N 372.494 2.418 0 40 FEAB COc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1 104978556 GGGZBOOIQSGWBJ-UHFFFAOYSA-N 353.426 2.328 0 40 FEAB COc1ccc(-c2nc(COC(=O)CNC(=O)c3ccccc3)no2)cc1 23947148 XFCFLQDOYTZHKK-UHFFFAOYSA-N 367.361 2.218 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)N2CCCCC2)CC1 24245284 OKXYRHQPCUDSMN-QGZVFWFLSA-N 370.497 2.188 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 100604545 ABCMHGZYYZULNK-ZOMKSWQUSA-N 366.483 2.155 0 40 FEAB COc1ccccc1C1(CNC(=O)CN2CCCCCC2=O)CCOCC1 57003078 REANYYBMDNINSF-UHFFFAOYSA-N 374.481 2.262 0 40 FEAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)Cc1cscn1 58195119 JTKKREFVVJRUJO-UHFFFAOYSA-N 365.480 2.399 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 58203266 BMEPCEBPVKBFGC-MAUKXSAKSA-N 362.495 2.337 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2121162 MEWZCHGHCUWIQK-UHFFFAOYSA-N 373.405 2.366 0 40 FEAB biogenic NC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)cc1 3238812 JPZGLAGNWQFQBB-UHFFFAOYSA-N 372.352 2.069 0 40 FEAB CCn1c(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 10651913 RWHJATMSLOMLJL-UHFFFAOYSA-N 366.377 2.153 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 12602814 CNFLHXRRTNMXKU-UHFFFAOYSA-N 371.462 2.497 0 40 FEAB Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)no1 48026171 JZSAACHMZKLCDH-CQSZACIVSA-N 371.393 2.447 0 40 FEAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)no1 45384083 PNRFSSVRGPRPRS-HNNXBMFYSA-N 358.446 2.390 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(OC)cc1)C2=O 3327896 FVXVHZSSKOXWHW-UHFFFAOYSA-N 373.453 2.202 0 40 FEAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1c(F)cccc1F 48277343 SFBMBZMZYWGFDY-SECBINFHSA-N 373.315 2.385 0 40 FEAB CC(C)N(CC(=O)O)CC(=O)N[C@H](C)c1ccc(Br)cc1 37995083 FMJZENKAOYTBJF-LLVKDONJSA-N 357.248 2.421 0 40 FEAB CCCc1c(C(=O)NCC(=O)NCc2ccccc2)[nH]c(C)c1C(=O)OC 48367880 YVYKMMHVNQTJHP-UHFFFAOYSA-N 371.437 2.108 0 40 FEAB CCCCNC(=O)CSc1nnc2n(CCC)c(=O)c3ccccc3n12 3448586 IQAOTOLYZDXUHX-UHFFFAOYSA-N 373.482 2.463 0 40 FEAB COc1ccc(C[S@](=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1 4053350 GMCRRMNJZHPHJJ-JOCHJYFZSA-N 353.465 2.418 0 40 FEAB COc1cc(OC)c2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc2c1 4000341 RRALLTLEBSANFF-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB biogenic CCOc1ccc(C(=O)c2ccccc2C(=O)OCC(N)=O)cc1OCC 5216596 JWGSOEBNYUCALW-UHFFFAOYSA-N 371.389 2.357 0 40 FEAB Cc1nc(N2C[C@@H](O)C[C@@H]2C(N)=O)c2c(-c3ccccc3)csc2n1 6940128 NYJKEKBTKCIVBI-GXTWGEPZSA-N 354.435 2.092 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)CSc2ncc(C)cn2)n1 5979722 ZZWMSZDVYKHBDV-UHFFFAOYSA-N 352.441 2.078 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 7736069 DQSPXZVLRMXPFU-MRXNPFEDSA-N 356.353 2.004 0 40 FEAB C[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)NCc1ccc(F)cc1 7773222 XQFAJTIEYIDQGA-CYBMUJFWSA-N 373.380 2.388 0 40 FEAB CCc1ccccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 9117866 ZKANOIUKKYWQFO-CYBMUJFWSA-N 373.478 2.286 0 40 FEAB COc1ccc(F)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9157232 NKZCXFGMALVUPW-NSHDSACASA-N 350.415 2.433 0 40 FEAB Cc1nnc2ccc(NC[C@H](c3ccc(F)cc3)N3CCOCC3)nn12 77291969 OHJBZCSZPFZSIO-MRXNPFEDSA-N 356.405 2.057 0 40 FEAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 78479807 CGTFXVAXJREHRZ-QWHCGFSZSA-N 359.426 2.355 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1F 95430088 GREPQEJMWOARNI-BONVTDFDSA-N 356.394 2.125 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2csc(-c3ccccn3)n2)C1=O 95467881 SFYJOJPQGDLFMI-UHFFFAOYSA-N 373.438 2.254 0 40 FEAB CCOc1cc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1OC 95983846 JKEAFGJFSQLPHI-ZDUSSCGKSA-N 356.444 2.135 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc[nH]2)cc1 75148662 NEKXCJCLGWGVEA-KRWDZBQOSA-N 363.483 2.333 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)O)cc1Br 37435105 DDGBHUXVMUBSBP-LBPRGKRZSA-N 356.216 2.466 0 40 FEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408589771 FLOQZZWDJTYAPA-CYBMUJFWSA-N 356.488 2.303 0 40 FEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 31853546 LXBWUMGVJIPBIQ-RTBURBONSA-N 371.433 2.279 0 40 FEAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218666125 NRGBSPNZFPBLLU-DZKIICNBSA-N 369.801 2.201 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362726 QENKOKWRURVVDB-AWEZNQCLSA-N 372.400 2.250 0 40 FEAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218500052 CGAXNVHIDJRLBD-BQFCYCMXSA-N 363.410 2.026 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 225411404 ZFFMJINPBKQTIQ-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225878335 OAYAEIUBDAHCCY-UHFFFAOYSA-N 368.440 2.034 0 40 FEAB O=C(NCCOCc1ccccc1)c1ccc(CN2CCOCC2)cc1 223413827 JJJFYXXMQOLLBN-UHFFFAOYSA-N 354.450 2.465 0 40 FEAB CN1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)CC1 96146792 QFRYFVYYFRASCG-UHFFFAOYSA-N 355.463 2.339 0 40 FEAB Cc1cnc(N2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)nc1 96260437 XDAJERAOJLYWFF-UHFFFAOYSA-N 368.485 2.307 0 40 FEAB COc1cccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1 96240846 XXEZYEDDNQBSJN-SFHVURJKSA-N 372.465 2.090 0 40 FEAB CN(C)C(=O)c1cnn2c(C3CCN(Cc4cscn4)CC3)ccnc12 257343309 ZSIYPPHKHGIHCY-UHFFFAOYSA-N 370.482 2.267 0 40 FEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1CC(=O)N1CCCCC1 257209052 BOTWZPFOJMWHJJ-KRWDZBQOSA-N 354.454 2.461 0 40 FEAB Cn1c(CO)nc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21 524734608 UZLIGLBXYXUGIK-UHFFFAOYSA-N 368.437 2.402 0 40 FEAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cc[nH]n1 257282291 OTDWYANBONNCHS-WDSOQIARSA-N 352.438 2.419 0 40 FEAB Cc1nc(C)c(CC(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)s1 257231672 GHTKRTFMNURYDI-IIDMSEBBSA-N 351.516 2.139 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@@H]1Cc2ccccc2CO1 252549054 QQTBUCXEDDUPIQ-BZSNNMDCSA-N 353.422 2.424 0 40 FEAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)n1 257228033 FSAGMLBIHQFRTF-ZOBUZTSGSA-N 374.485 2.056 0 40 FEAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CC1=O 653196850 BRYCFBHXSJYNAQ-NKMKZGIRSA-N 355.482 2.184 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)C1CCC1 585098591 VCLATFDONNSESI-ZDUSSCGKSA-N 356.426 2.038 0 40 FEAB O=C(C1CCOCC1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585582057 MMNDOMBAMGOMTQ-UHFFFAOYSA-N 355.442 2.134 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12183866 MAHZVWRYBCZIKG-CYBMUJFWSA-N 367.496 2.034 0 40 FEAB COc1ncc(C2(O)CCN(Cc3cccc(F)c3F)CC2)c(OC)n1 12186373 IGZGWILPYIAKSO-UHFFFAOYSA-N 365.380 2.256 0 40 FEAB C[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 15589953 NYEPVPYYNDETNK-CYBMUJFWSA-N 364.492 2.174 0 40 FEAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc12 19371775 WGCQJEGZUYZXTQ-KRWDZBQOSA-N 356.514 2.469 0 40 FEAB CCCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C 19525960 LDAPFWJYXBYEFZ-FDFHNCONSA-N 368.525 2.464 0 40 FEAB CC1CCN(c2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)CC1 19717505 DJXAKUFJVOWBDK-CQSZACIVSA-N 365.437 2.325 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)OCC(=O)c1ccc2c(c1)OCO2 11432795 SKCYFMWYTNZGAK-UHFFFAOYSA-N 356.256 2.057 0 40 FEAB C[C@@H](C(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1)n1cccn1 1888853726 YXOZCMRSEBEFOD-LSDHHAIUSA-N 357.458 2.459 0 40 FEAB CCOc1ccc(OCCNC(=O)CSc2nc(CC)n[nH]2)cc1 21588104 LNPVAGQKKVQODI-UHFFFAOYSA-N 350.444 2.053 0 40 FEAB Cc1ccc2c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)coc2c1 33005218 RZLUFVHVGYVYDY-UHFFFAOYSA-N 358.419 2.248 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 2037985399 IQAALAHHSUEFTB-HXUWFJFHSA-N 362.445 2.387 0 40 FEAB COc1cnc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)nc1 1565550420 CQLSGMGUMQZTAG-UHFFFAOYSA-N 367.434 2.245 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565553293 RXWFZNPSGLYHCK-FIKGOQFSSA-N 370.497 2.157 0 40 FEAB O=C(O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2101942 DKIDUEFGXKKXNI-JTTNIQEDSA-N 354.399 2.316 0 40 FEAB biogenic Cc1ccc(N2CCn3c(SCC(=O)NC[C@@H]4CCCO4)nnc32)cc1 9651615 VIGYEUARQLACIN-HNNXBMFYSA-N 373.482 2.126 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccncc3)cn2)cc1 13809200 IPODQDGSAQXSFA-UHFFFAOYSA-N 350.378 2.343 0 40 FEAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)c2cocn2)CC1 2055756531 QKGQNLHUDTZKAJ-UHFFFAOYSA-N 356.426 2.286 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cc1OC 1926251 LEYNYTOOEOWHBO-UHFFFAOYSA-N 351.380 2.227 0 40 FEAB Cc1ccc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nn1 35597953 NPTSUWDASDHVLF-UHFFFAOYSA-N 360.361 2.194 0 40 FEAB CC(C)(C)C(=O)NC(=S)NC1=C[C@H]2N=C(c3ccncc3)O[C@@H]2C=C1 16322701 PMOMCCJENVVISL-ZIAGYGMSSA-N 356.451 2.086 0 40 FEAB COc1cc(C(=O)OCCOC(=O)c2ccc(O)c(OC)c2)ccc1O 1747330 LQBNUOMEOUZICV-UHFFFAOYSA-N 362.334 2.129 0 40 FEAB Cc1nc(C(=O)NCCCN2CCOCC2)cc2c1[nH]c1ccccc12 20610260 VKHIUABAXUAVLY-UHFFFAOYSA-N 352.438 2.477 0 40 FEAB biogenic Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@@H](O)[C@H]2O)cc1C 4991698 ASVMLLDTIZTDOP-WOZUAGRISA-N 370.445 2.060 0 40 FEAB Cc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 7525893 JXIXCNQXLGVERP-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB CCCCN(C(=O)NC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 103242619 PJSNJNZAGNXJHS-XDQVBPFNSA-N 359.492 2.292 0 40 FEAB O=C([C@@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)C1)N1CCOCC1 42011183 MOJDISAMQXKCEM-QGZVFWFLSA-N 356.466 2.206 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1 734254 CWPNMOILYAHXEV-UHFFFAOYSA-N 357.435 2.355 0 40 FEAB O=C1NC(=S)N/C1=C/c1nn(Cc2ccccc2)cc1-c1cccnc1 105739406 PYUBSEDROMSEIY-RQZCQDPDSA-N 361.430 2.339 0 40 FEAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc(F)c1 23216536 DHCRYLZWZDVIMX-UHFFFAOYSA-N 356.463 2.139 0 40 FEAB Cc1ccc(OCCOC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 23641073 ZFNMNHCRBYAIHQ-UHFFFAOYSA-N 374.437 2.418 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 1291468 FHERWLIMCQRPBT-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccs1 25385477 FHGULYXRCQAFIW-CQSZACIVSA-N 367.496 2.152 0 40 FEAB O=C(NC[C@H](O)c1ccc(O)cc1)C(=O)Nc1cccc2c(O)cccc12 61718355 YVTNCMKAMPZCJP-SFHVURJKSA-N 366.373 2.039 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1 28249764 YECREHUTUBUEOE-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O)c1ccccc1 58193073 ZWVSZUGYLYLPOJ-IBGZPJMESA-N 355.369 2.256 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)c(C)s1 58167648 IUDRFINUVBRDMU-UHFFFAOYSA-N 366.512 2.471 0 40 FEAB CC(C)C(=O)N1CCN(Cn2ncn(-c3ccccc3F)c2=S)CC1 12533201 MPRVXOFPHXHVLO-UHFFFAOYSA-N 363.462 2.300 0 40 FEAB CCOc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 8286019 IYBDOPOQHCIIRF-UHFFFAOYSA-N 373.434 2.153 0 40 FEAB CCOC(=O)CN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CC1 48343482 MDNIRLGCGSCRON-QGZVFWFLSA-N 372.465 2.022 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12892014 FDCFKJKEEGHQPO-NSHDSACASA-N 360.426 2.280 0 40 FEAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NC[C@H]1CCCO1 3482337 SGOYOEIIEHRIKW-CYBMUJFWSA-N 354.406 2.176 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)O 4200317 MATKQBMBHKZQDC-AWEZNQCLSA-N 350.415 2.103 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)on2)c1 6113772 VQIDEOZUCYXNIM-UHFFFAOYSA-N 367.427 2.274 0 40 FEAB Cc1cc(C(=O)NCCc2nnc3n2CCC3)c(C)n1Cc1ccco1 65551534 AJWPCYMQGPOQID-UHFFFAOYSA-N 353.426 2.256 0 40 FEAB Cc1ccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 14185287 ZYQUMANEQMBKBU-UHFFFAOYSA-N 351.406 2.047 0 40 FEAB COc1cccc(CNC(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 5531142 OHNHVGQARUZKAQ-UHFFFAOYSA-N 355.423 2.284 0 40 FEAB CN(C(=O)CN1CCO[C@H](c2ccc(Br)cc2)C1)C1CC1 70694804 OYVSQMDYFNQWAP-HNNXBMFYSA-N 353.260 2.443 0 40 FEAB Cn1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc21 5703431 KOLNTXOHXFFEAB-UHFFFAOYSA-N 363.373 2.320 0 40 FEAB COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)N1CCCCC1 6879485 QIRCLUFQYGUENK-TZMCWYRMSA-N 352.456 2.464 0 40 FEAB CN(C)Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 15140554 QZFLDFNVEWSSFI-UHFFFAOYSA-N 364.449 2.234 0 40 FEAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCNC1=O 7362104 CDNUZFVYXRXMDS-LBPRGKRZSA-N 371.466 2.236 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2nc(-n3cccc3)sc2c1 9048931 QDCHKONXAYRNJU-LBPRGKRZSA-N 361.448 2.004 0 40 FEAB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H]1CCCOC1 96002019 ZHMOYFFDEOMRRQ-LSDHHAIUSA-N 353.488 2.483 0 40 FEAB Cc1cc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9322136 VPZLBNHQYDUAFG-STQMWFEESA-N 364.492 2.327 0 40 FEAB O=C(O)CN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 89836749 PHYHNRSJBXZLNK-UHFFFAOYSA-N 354.406 2.108 0 40 FEAB Cc1cc(O)cc(=O)n1CC(=O)NCCc1nc(-c2ccccc2)cs1 96232712 ZYNRTJUDHZXLIP-UHFFFAOYSA-N 369.446 2.345 0 40 FEAB COc1ccccc1NC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 19924046 SWTZNWBLAFLFQB-UHFFFAOYSA-N 367.413 2.213 0 40 FEAB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1Cc1ccco1 84080238 MWOSOTWCXCUKAS-KRWDZBQOSA-N 350.440 2.053 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 75566928 QRSKUGXYZGSRGE-ROUUACIJSA-N 367.405 2.080 0 40 FEAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c2ncccc12 97014023 RWXFCOAIGURVML-GFCCVEGCSA-N 360.443 2.091 0 40 FEAB C[C@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)[C@@H]1CO 97104496 NOLBDTDGRKDJIO-GXFFZTMASA-N 350.419 2.132 0 40 FEAB C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(Cc2cccc(F)c2)CC1 72682804 RRZRWRKFCXODNT-CYBMUJFWSA-N 356.463 2.223 0 40 FEAB O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccnc(OC2CCCCC2)c1 89243885 IFMGZGXHGDJFFK-SFHVURJKSA-N 359.470 2.386 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)CC1 408602202 IIYYUVAJJJONBY-HNNXBMFYSA-N 368.499 2.399 0 40 FEAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OC 409378777 RSAZRBDECBTLLO-JTQLQIEISA-N 367.203 2.032 0 40 FEAB COc1ccc(C[C@@H](C)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 548673292 GOUXQDZYSKXBBD-DAESXHAQSA-N 370.497 2.477 0 40 FEAB COc1ccc2c(c1)N[C@@H]([S@](=O)Cc1c(C)c(OC)c(C)c[n+]1[O-])N2 216647053 BBMDUQNTLINGKU-SSOJOUAXSA-N 363.439 2.024 0 40 FEAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CC2)cc1 73743387 QESSUFIUNXLJOU-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1ccn(C)n1 36619003 ULRSNZNVPKKUCS-LLVKDONJSA-N 365.372 2.155 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218588409 LFLHUJWIIGKJIL-DVOMOZLQSA-N 374.890 2.073 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 72390966 BTBXFZACNVDXKA-JKSUJKDBSA-N 366.465 2.214 0 40 FEAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223018858 CSIVUWBVIHXYEJ-GFCCVEGCSA-N 366.464 2.198 0 40 FEAB O=C(c1ccccc1)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 521396676 NPWSLYIJELLUCB-HNNXBMFYSA-N 362.451 2.251 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1 48328296 SQGQJEVJZJGTBP-UHFFFAOYSA-N 362.470 2.479 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)ccc1Br 225787709 ABKXHKWZXOKMGN-LOWDOPEQSA-N 352.184 2.350 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc3ccccc3c2)s1 222821464 AZAKEFCCYGMYPB-UHFFFAOYSA-N 362.436 2.128 0 40 FEAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)C2 225521926 TVMKVINHCUYGFQ-JSGCOSHPSA-N 372.856 2.398 0 40 FEAB CCOC(=O)c1cnc(NC(=S)NCCc2ccc(OC)cc2)nc1C 225196711 KUIQNUFFCJTUGB-UHFFFAOYSA-N 374.466 2.499 0 40 FEAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCC1CCOCC1 95475180 MSYGYKJKDZKKGV-HNNXBMFYSA-N 352.504 2.170 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)on1 96106882 NBVMRLPHSZGRKJ-INIZCTEOSA-N 357.410 2.359 0 40 FEAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC[C@H]2CO)CC1 96099749 YVXSYWFQYRFOBF-INIZCTEOSA-N 372.918 2.258 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 96100154 FOZDWTVFSMIZGG-OAQYLSRUSA-N 364.449 2.174 0 40 FEAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1 583623637 DDKLQHKNRFJTIP-WBVHZDCISA-N 369.531 2.473 0 40 FEAB N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCCO3)C1 583619757 DDHOTCVOZPPJBG-IUODEOHRSA-N 358.360 2.271 0 40 FEAB O=C(CO)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96079864 JBORAFGJOGXXAK-QGZVFWFLSA-N 356.422 2.247 0 40 FEAB O[C@@H]1[C@@H](N2CCCCC2)[C@H](Nc2ccncn2)C[C@H]1Oc1cccc(F)c1 257323239 WJHLQNDTICMXRI-JYBIWHBTSA-N 372.444 2.463 0 40 FEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257216494 CUSLXGNCIVXEDY-OAHLLOKOSA-N 350.426 2.244 0 40 FEAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2ccc(C)nc2)C3)nc1 253600443 NJJBVJJOKRVCQD-KRWDZBQOSA-N 367.453 2.222 0 40 FEAB O=C(COc1cccc(F)c1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257228226 FSXCBAPRRCSHHA-XOKHGSTOSA-N 356.401 2.344 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC1CCCCC1)O2 260850983 UNHALDBDDAIIMF-QGZVFWFLSA-N 366.483 2.219 0 40 FEAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1 644036209 JJWFMCOFCHVHHR-HXUWFJFHSA-N 358.438 2.461 0 40 FEAB C[C@@H]1NC(=O)N(CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1=O 656546882 DEQSMEPLCWCXOJ-LBPRGKRZSA-N 358.417 2.427 0 40 FEAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC(c4cnn(C)c4)=NO3)cc2)c1C 1262788760 NFKQRJDVWBNZII-SFHVURJKSA-N 364.409 2.354 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)[C@H](C)C2 666369525 DTWZPBDEGZXKJM-RMRKRWHISA-N 350.484 2.493 0 40 FEAB CS(=O)(=O)c1nc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c2ccccn12 107344635 QUHXCZCGJMHHOY-IHRRRGAJSA-N 361.467 2.294 0 40 FEAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCCC[C@H]1CO 677573468 GVLJKBUKYJKUMV-OITRNQOZSA-N 362.514 2.376 0 40 FEAB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 1192122 SKBMGWQTVKZKKL-XMHGGMMESA-N 363.417 2.293 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O 13482196 GIGBJGXMBLJKEO-MBNYWOFBSA-N 351.834 2.076 0 40 FEAB Cc1ccn2cc(C(=O)N[C@@H](C)c3cc(=O)[nH]c(-c4ccccn4)n3)nc2c1 19238186 UJBMQHFYNQZJSP-ZDUSSCGKSA-N 374.404 2.279 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCN3C)n2CC1 19706325 OTXYBRPEOHJDFC-CQSZACIVSA-N 372.473 2.163 0 40 FEAB CCc1cnc(N2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)s1 556180521 UBHQHGOMFSNGAW-UHFFFAOYSA-N 373.404 2.420 0 40 FEAB CC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)C(=O)[C@](C)(O)[C@@]2(O)C(=O)OC 253402283 OCPNGNBXODBFSW-AKUVAURRSA-N 359.422 2.395 0 40 FEAB biogenic,in-vitro CC(C)[C@@H](Cn1ccnn1)NC(=O)COc1cccc2c1OC(C)(C)C2 575617605 YAWJDPLTJWBVKD-OAHLLOKOSA-N 358.442 2.211 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 35572019 YNGVGDISDWWFCT-SFHVURJKSA-N 364.398 2.377 0 40 FEAB in-vitro Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1C 4250277 LBKGGXQDIBBVJA-UHFFFAOYSA-N 367.405 2.237 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 6618949 QFODSPCJKNHTLM-IBGZPJMESA-N 361.417 2.432 0 40 FEAB C[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@H]2N1c1nccc(C(F)(F)F)n1 1888842575 NYYGMAKKCNVIOZ-WOPDTQHZSA-N 350.348 2.389 0 40 FEAB CC(C)c1ncnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1F 1888854222 LPBXTZPFNGQENP-UHFFFAOYSA-N 360.437 2.353 0 40 FEAB Cc1cc2c(N3CCN(c4cc(C(F)F)nc(C)n4)CC3)nccn2n1 1888865575 ADEIDOQVJTZLLN-UHFFFAOYSA-N 359.384 2.400 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2ccc3nc(C)cn3n2)CC1 1888906267 CVLHEARFACRBCU-UHFFFAOYSA-N 351.410 2.009 0 40 FEAB COC(=O)c1sc2nc(C)nc(N3CCC4(CC3)OCCO4)c2c1C 26705185 LVDDZTCECXMNLK-UHFFFAOYSA-N 363.439 2.438 0 40 FEAB CCOC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165186 OLNQPAFFRCWPDX-UHFFFAOYSA-N 374.422 2.464 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2ccoc2)CC1 2055713335 BIXWITKVBBJIGH-UHFFFAOYSA-N 354.410 2.377 0 40 FEAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3)nnc12 16320786 MVSDIBLVQSZRPS-UHFFFAOYSA-N 365.418 2.312 0 40 FEAB Fc1cc(Br)ccc1NC(=S)NCCN1CCOCC1 20835080 SOFOBVDIEMOSPK-UHFFFAOYSA-N 362.268 2.207 0 40 FEAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 7940101 VDNCKWCWKSAJPW-NVXWUHKLSA-N 366.417 2.460 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102260992 YRWAIVXMOQMSNB-KBPBESRZSA-N 368.355 2.497 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 54991707 GOQKTRCRRQDRHQ-IXDOHACOSA-N 362.495 2.214 0 40 FEAB CC[C@H](c1nnnn1CCOC)N1CCN(c2cccc(C)c2C)CC1 57669981 SNCXJOWIHTWRLA-QGZVFWFLSA-N 358.490 2.210 0 40 FEAB O=C(NCCNC(=O)c1cccs1)c1nc(-c2ccc(F)cc2)no1 12374953 VAYXGAZAOCMKHM-UHFFFAOYSA-N 360.370 2.097 0 40 FEAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 52412271 QTLNHMVTVZPARA-CQSZACIVSA-N 368.389 2.230 0 40 FEAB CCn1c(CN[C@@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 12529447 SJUIRGHLZKADRH-ZDUSSCGKSA-N 352.504 2.441 0 40 FEAB Cn1c(=O)c([C@@]2(C)NNC(=O)N2c2ccccc2)c(O)c2ccccc21 100362546 DWCYDLOLOLBCAK-IBGZPJMESA-N 350.378 2.151 0 40 FEAB COc1ccc(Cc2nnc(S[C@H](C)C(=O)N3CCOCC3)o2)cc1 35264642 ZDMGITLOTURSGZ-GFCCVEGCSA-N 363.439 2.008 0 40 FEAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(O)cc3)n[nH]2)CC1 64875442 ZPCNFPVKXXQOHJ-UHFFFAOYSA-N 359.430 2.230 0 40 FEAB C[C@@]1(C(=O)NC(=S)NNc2nc3ccccc3[nH]2)CC1(Cl)Cl 12651240 SAVSAVYDPKRWTP-LBPRGKRZSA-N 358.254 2.464 0 40 FEAB CCOC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 58183590 INYBSIWVLWZIKQ-SECBINFHSA-N 358.441 2.122 0 40 FEAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C(=O)OC)cn2)cc1 27636345 WAEUYKMKNKTNKY-UHFFFAOYSA-N 370.361 2.256 0 40 FEAB COCc1ccccc1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 58297264 WKBCTNPCRUHWMC-UHFFFAOYSA-N 353.422 2.263 0 40 FEAB Cc1cc(CN2CC3(C[C@@H](COCc4cccnc4)CCN3C)C2)n(C)n1 306142028 WNGLYZCBISJRNY-SFHVURJKSA-N 369.513 2.237 0 40 FEAB O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cc2ccccc2[nH]1 58356851 ORMDUQBXFHZSTC-UHFFFAOYSA-N 354.385 2.423 0 40 FEAB Cc1cc(C)cc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 12746917 KEUDWYMGROVBRC-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB COC(=O)c1ncn(CN2CCC(CCc3ccc(OC)cc3)CC2)n1 48275905 DTBQZDQOEGYOTC-UHFFFAOYSA-N 358.442 2.376 0 40 FEAB O=C(CNC(=O)NCc1ccccc1)Nc1cccc(N2CCOC2=O)c1 48261626 LBLUMHIIGVFJJM-UHFFFAOYSA-N 368.393 2.081 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@@H](C)O1 12819674 SJFJUIMNCMAHLM-VXGBXAGGSA-N 370.291 2.462 0 40 FEAB COc1ccc(Br)cc1S(=O)(=O)NCCc1ccccn1 25427707 OGRLSLHKPIAOGU-UHFFFAOYSA-N 371.256 2.374 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 12937046 ZBIYQXZOLSCOHG-SFHVURJKSA-N 374.462 2.238 0 40 FEAB COc1ccc(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OC 12905886 APQJWMHUWQWNIQ-UHFFFAOYSA-N 372.421 2.260 0 40 FEAB NC(=O)COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 12906344 SDTJTANXZNGTTC-UHFFFAOYSA-N 362.769 2.228 0 40 FEAB COC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(O)c(OC)c1 8671077 IRKVTFDZQUAXJS-LDYMZIIASA-N 353.421 2.177 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1 13257621 HRRPBKCBMNYLGH-HNNXBMFYSA-N 365.382 2.175 0 40 FEAB CC(C)[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 14121115 WIZUMDOOTAYHCY-LBPRGKRZSA-N 359.304 2.100 0 40 FEAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3c(C)csc3=O)c2)c1 14226929 UXRLCUQVEQIAMO-UHFFFAOYSA-N 357.391 2.000 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438734 TYHOGPSMELZPTK-ZDUSSCGKSA-N 372.874 2.179 0 40 FEAB Cc1nn2cc(CCCOC(=O)[C@H]3CCCN3C(=O)C(C)C)cnc2c1C 69437393 JZYNSZQMRSINGF-QGZVFWFLSA-N 372.469 2.469 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)c(OC)c1 6831765 WMNDFZNLCRKQCM-CQSZACIVSA-N 370.361 2.146 0 40 FEAB Cc1ccc2nc3sc(C(=O)NCCCn4ccnc4)cc3c(=O)n2c1 17122428 KYJYYYHLTANOKZ-UHFFFAOYSA-N 367.434 2.234 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 28976794 NJUUIOGECZUZIO-YJBOKZPZSA-N 361.461 2.278 0 40 FEAB Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)Cc4cccs4)C3)nc2)n1 90591912 ZQYORDCDQXWFFF-CQSZACIVSA-N 369.450 2.439 0 40 FEAB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC(=O)NC(C)(C)C 8706803 GMZPUGLCKAZCJJ-UHFFFAOYSA-N 374.485 2.202 0 40 FEAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 92529706 WUTCHOBOAPQUAT-AHDPXTMNSA-N 360.520 2.043 0 40 FEAB COc1cc2[nH]nnc2cc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 96012450 PIWUFXAVNOEPNQ-SNVBAGLBSA-N 373.363 2.253 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc2C[C@H]1C 9338409 SDIKEUQXBJLQRM-LLVKDONJSA-N 374.418 2.483 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941346 ZWTZVKJNSUHECV-GHMZBOCLSA-N 362.879 2.418 0 40 FEAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(Cl)c1 97015135 ZFMPLUFVXOMYSK-LBPRGKRZSA-N 374.825 2.030 0 40 FEAB Cc1sc2ncnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)c2c1C 72312267 NYGAAOFMPDNQNH-QGZVFWFLSA-N 359.455 2.123 0 40 FEAB CCOc1ccc(C(=O)N2CCC(NC(=O)C3CCOCC3)CC2)cc1 78741676 TUKUJXXMVAXPTF-UHFFFAOYSA-N 360.454 2.233 0 40 FEAB Cn1ccc(C(=O)N2CC[C@@]3(Cc4ncc(-c5cccs5)n4C3)C2)n1 306144678 ZLYITQOHMAMXTD-GOSISDBHSA-N 353.451 2.434 0 40 FEAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ncc[nH]2)n1 35424936 YBYLDXLUABDIQL-AWEZNQCLSA-N 369.429 2.250 0 40 FEAB biogenic,in-vitro Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cn(C(F)F)nc2C)n1 36614905 UBVALQUYFQXACP-VIFPVBQESA-N 361.418 2.015 0 40 FEAB CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)CCCn1c(O)nnc1O 1542450656 AHXJTCWPILAAQX-DOTOQJQBSA-N 374.441 2.096 0 40 FEAB COP(=O)(OC)c1nc(Cc2ccccc2)oc1N1CCOCC1 39915597 SRQARKDXQQTBCS-UHFFFAOYSA-N 352.327 2.213 0 40 FEAB c1ccc2c(c1)nc1n2[C@]2(N3CCOCC3)CCC[C@H]2[C@@H]1N1CCOCC1 35939834 DDVCADSEIQHMPX-NBHGPNQESA-N 368.481 2.208 0 40 FEAB Cc1noc2ncc(S(=O)(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc12 329949702 BWQCWDIDNHCHOM-SFHVURJKSA-N 371.418 2.351 0 40 FEAB C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)N=c1nc(Cc2ccc(F)cc2)[nH]o1 568360662 JYKJLVCZBUUMRB-CZUORRHYSA-N 373.432 2.312 0 40 FEAB CCc1cc(Br)c2c(c1)N[C@@]1(C=C(C)OC(N)=C1C(N)=O)O2 40546232 GYCXGCAGSSMLEI-HNNXBMFYSA-N 366.215 2.102 0 40 FEAB COc1ccc(OCc2cn(CC(=O)Nc3cccc(C)n3)nn2)cc1 227168005 RAANTUMLTWDZJX-UHFFFAOYSA-N 353.382 2.208 0 40 FEAB O=C([C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1)N1CCCC1 96066186 RXDULXWUQRPVDY-SLFFLAALSA-N 358.482 2.305 0 40 FEAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N1CCCC1 96232144 GGYBUQCPIYVENK-KRWDZBQOSA-N 368.437 2.033 0 40 FEAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3cccc(F)c3)C2)nn1 96231225 JFPNRIVEIMDUKH-OAHLLOKOSA-N 358.417 2.200 0 40 FEAB COc1ncccc1CN1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96217511 VWVUCOYYIAZSNQ-MRXNPFEDSA-N 355.442 2.276 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96110823 KYCPLWSESMJXLC-KRWDZBQOSA-N 355.438 2.401 0 40 FEAB O=C(COc1ccccc1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216911 UJAKYXAYFVJTIU-FQEVSTJZSA-N 352.438 2.375 0 40 FEAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 247514780 JONMQSWCMCTRIM-GOSISDBHSA-N 370.478 2.142 0 40 FEAB O=C(c1cccnc1)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 247806426 BKWVBTUMRLZEKI-GOSISDBHSA-N 353.422 2.315 0 40 FEAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 248087370 BMPFWCVFTRCHEW-MRXNPFEDSA-N 352.438 2.092 0 40 FEAB CN1C(=O)CCC[C@H]2CN(C(=O)CCN3CCc4ccccc43)CC[C@H]21 257199729 AAPXKUXOARFWTN-ZWKOTPCHSA-N 355.482 2.299 0 40 FEAB COc1ccc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)cc1F 257233436 GPGIDLGNSDWWAD-INIZCTEOSA-N 359.401 2.407 0 40 FEAB Cc1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 257314080 UVEVUKLOKAQONI-SFHVURJKSA-N 355.438 2.390 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3cncnc3)C2)ncn1 257283364 OXZICOONDWZHDR-CQSZACIVSA-N 364.409 2.243 0 40 FEAB COc1ccccc1N1CC[C@@H](NC(=O)c2onc3c2CCCC3)C1=O 612285393 OXOVJINNYLAHMM-CQSZACIVSA-N 355.394 2.097 0 40 FEAB COC[C@@]1(C(=O)O)CCN(C(=O)NCCc2cn(C)c3cc(C)ccc23)C1 635514732 MOHUQPFCCAPJRN-HXUWFJFHSA-N 373.453 2.162 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1nc2ccccc2nc1C 1775956987 LEHCXNHICCYZMN-WFASDCNBSA-N 354.414 2.222 0 40 FEAB COc1ccccc1N1CCN(CC(=O)NCc2ccccc2F)CC1 57403225 MMIAXCGEQLDETJ-UHFFFAOYSA-N 357.429 2.273 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N2C(=O)c3ccccc3S2(=O)=O)c(C)c1 5724743 KOZCIQTYPUHXOS-UHFFFAOYSA-N 365.432 2.145 0 40 FEAB CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCOCC2)C1 12481132 PBZRPQWCRSYICZ-HOTGVXAUSA-N 354.491 2.084 0 40 FEAB biogenic,in-vitro CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 15520057 CNOBUPGIYCGGHZ-UHFFFAOYSA-N 360.502 2.462 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 205738243 PEDLHGYPKRHSGE-XYOKQWHBSA-N 351.380 2.303 0 40 FEAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccccc1C(F)(F)F 253400078 KLTKGMFCQFHSHA-RTXFEEFZSA-N 365.373 2.320 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)COc2ccccc2C)cc1 3435665 WDZXFAQBOJWTGQ-UHFFFAOYSA-N 357.406 2.285 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(C(F)(F)F)c1 13016404 VXHULWIOUSFUPZ-UHFFFAOYSA-N 354.332 2.429 0 40 FEAB C[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2N1c1nccc(C(F)(F)F)n1 1888842572 NYYGMAKKCNVIOZ-GRYCIOLGSA-N 350.348 2.389 0 40 FEAB CCS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888869825 GXYGELSSLNISOL-GASCZTMLSA-N 362.499 2.335 0 40 FEAB COc1cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)ncn1 1889096861 GQLXREIZSVXIAE-UHFFFAOYSA-N 357.311 2.365 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)NCCc2ccc(Cl)cc2)c1 14248113 DMKKLSLYVMTNAB-UHFFFAOYSA-N 362.813 2.185 0 40 FEAB CCOC(=O)[C@@H](C[C@@H](NC(C)=O)C(=O)OCC)c1c[nH]c2ccccc12 40435244 XELKUJCVXJPLMM-WMLDXEAASA-N 360.410 2.273 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)cc1F 1565545590 LFLQZVPCAWXODV-VQIMIIECSA-N 364.461 2.335 0 40 FEAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1N 5242217 CXMZZUQZGOIPLP-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2cccc(F)c2)c(OC)c1 9615907 PXCMMDBRFNPCDS-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(N2CCCC2)n1 2086884561 KQWJYAIFXSRDSU-UHFFFAOYSA-N 371.514 2.441 0 40 FEAB CCOc1cccc2sc(N3CCC[C@H](NS(C)(=O)=O)C3)nc12 2298216154 TWIALKUVZMAWOG-NSHDSACASA-N 355.485 2.213 0 40 FEAB O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc2cc[nH]c2c1 13576500 LWXHEWWBCGOGBR-INIZCTEOSA-N 363.373 2.318 0 40 FEAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NC[C@@H]1CCCO1 96118880 ZYELDRJZKWQGGC-ZDUSSCGKSA-N 353.378 2.129 0 40 FEAB COc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)Nc1nccs1)n2C 36569418 UFERNBMZQKFGCB-SNVBAGLBSA-N 358.423 2.400 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cnccn1 2403400 CCUUFSKTOXEWOT-UHFFFAOYSA-N 362.365 2.281 0 40 FEAB O=C(Cn1nnc(-c2cccs2)n1)c1ccc(N2CCCC2=O)cc1 7815062 WHJNVFFGPGAOJQ-UHFFFAOYSA-N 353.407 2.411 0 40 FEAB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1CC(F)(F)F 3526163 ORZBREPBPRYZIN-UHFFFAOYSA-N 356.304 2.079 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccc(Br)cc1 4299316 NVZDPPMWZPFZJB-GHMZBOCLSA-N 360.204 2.460 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCSc3ccccc32)CC1 32338821 ZPSMHLDFTKSJAU-CQSZACIVSA-N 354.497 2.011 0 40 FEAB CC(C)(C)NC(=O)CN(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F 4898549 MSZSHLPEZZBYMI-LLVKDONJSA-N 352.431 2.353 0 40 FEAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29668176 FOPBZNHCGHWGIT-UHFFFAOYSA-N 366.417 2.251 0 40 FEAB COc1cccc(CNn2nnnc2N)c1OCc1ccc(Cl)cc1 7602424 LWKRCSFDTHMQKY-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB COC(=O)c1cn(Cc2ccccn2)cc2c(=O)n(-c3ccccc3)nc1-2 101727372 MTZOAEZUQVCEMW-UHFFFAOYSA-N 360.373 2.369 0 40 FEAB O=C(COc1ccc(Br)cc1)NCc1nnc2ccccn12 7898644 IUJKKINWDQKRKF-UHFFFAOYSA-N 361.199 2.187 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)cc1 32833668 HQOGLTOPHCLKDI-UHFFFAOYSA-N 371.422 2.241 0 40 FEAB C[C@@]1(c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)NC(=O)NC1=O 32818914 PZLVSFOOAUHANN-DXRVJIQQSA-N 371.418 2.154 0 40 FEAB C[C@@H]1[C@@H](NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCC[C@H]1C 102407610 VMFGFLCXPLOUOF-KEYYUXOJSA-N 367.515 2.290 0 40 FEAB O=S1(=O)CC[C@H](Cc2nnc(SCc3nc4ccccc4o3)o2)C1 21625032 AFANYVRYPBNWRG-SNVBAGLBSA-N 365.436 2.480 0 40 FEAB O=C(NCCCN1CCCC1=O)NC[C@H](c1ccco1)N1CCCCC1 53492815 XVZHNOABXODOSC-MRXNPFEDSA-N 362.474 2.118 0 40 FEAB CCN(Cc1c(F)cccc1F)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 104209925 MMWVRDOEBUTRNO-BMEPFDOTSA-N 374.387 2.120 0 40 FEAB CCOc1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O 53165139 RXNJSCNBIWYBJW-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)Nc1cnc2ccccc2c1 47074509 FXIIRJXXDUFEHX-UHFFFAOYSA-N 353.407 2.402 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCc1ccccc1F 23627074 JTUDCSPGSMJTFE-UHFFFAOYSA-N 350.415 2.266 0 40 FEAB C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCCC1 24091534 FTIMDAZQMPUCRY-MLGOLLRUSA-N 360.410 2.157 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCC2)c1 61260690 DUIJFELBZYMQPI-UHFFFAOYSA-N 354.472 2.016 0 40 FEAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(Cc2nccn2C)CC1 106164712 WAMSHXUYHAOKHE-HNNXBMFYSA-N 358.490 2.479 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 25227124 RWGQUHRXAOGNNL-UHFFFAOYSA-N 356.397 2.361 0 40 FEAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 8133426 MOWGITLUVHQOOT-HNNXBMFYSA-N 357.454 2.253 0 40 FEAB CCOc1ncccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12546220 NLWVTKAXYGFROR-UHFFFAOYSA-N 364.405 2.066 0 40 FEAB C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccc(F)c(F)c1 58196682 TWCBRTOIDGYLBE-VZOCWALESA-N 362.376 2.195 0 40 FEAB Oc1ccc([C@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10232566 OXDRSKRIYZZQPM-INIZCTEOSA-N 359.349 2.236 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(F)cc3)C2=O)o1 58223794 OJSMCJHALNPTTF-BUXKBTBVSA-N 373.384 2.372 0 40 FEAB Cc1ccc(CCC(=O)NCC(=O)NCc2cn3ccc(C)cc3n2)cc1 58244547 BHHBHBPOGSAFJN-UHFFFAOYSA-N 364.449 2.316 0 40 FEAB CCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O 2267278 FOZFAIULYHNAJJ-UHFFFAOYSA-N 374.460 2.052 0 40 FEAB O=C(COC(=O)COc1ccccc1)Nc1ncc(Br)s1 3243808 UGAMTTMONJTEGJ-UHFFFAOYSA-N 371.212 2.466 0 40 FEAB COc1ccc(-c2nc(NC(=O)c3ccc(=O)n(C)n3)sc2C)cc1 3360773 ZKLRTDUDFJEEHJ-UHFFFAOYSA-N 356.407 2.473 0 40 FEAB Cc1nc(C)c(CCC(=O)NCc2ccc(OC(F)F)cc2)c(=O)[nH]1 12982938 CXQUIXYFMDCIRC-UHFFFAOYSA-N 351.353 2.237 0 40 FEAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc2c(c1)NC(=O)CO2 13003364 SPOHJFPFHZSOJJ-SNVBAGLBSA-N 354.391 2.424 0 40 FEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1 13000168 RTBDNQFWNKWHDQ-QGZVFWFLSA-N 371.462 2.066 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(OC)cc2)NC(=O)N[C@@H]1CC 13075250 QHTJWSKIBJQYOV-OAHLLOKOSA-N 361.442 2.036 0 40 FEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(O)c(OC)c1 8671075 IRKVTFDZQUAXJS-GZMMTYOYSA-N 353.421 2.177 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1 409001396 ICZMRVQOONAMNP-RISCZKNCSA-N 366.414 2.013 0 40 FEAB COc1cc(Br)c(/C=C2\NC(=S)N(C)C2=O)cc1OC 6145126 PMACMCZPJFNIKM-WTKPLQERSA-N 357.229 2.154 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1 6348219 DBVNOIAVWKJGIJ-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 5396400 MMGHXRJBUMJGEC-SECBINFHSA-N 365.484 2.202 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)cnc21 14211816 BMTBRBFXJHKTNS-UHFFFAOYSA-N 352.181 2.076 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2 8943509 JBWHKZSJWCFTNI-UHFFFAOYSA-N 368.389 2.053 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O 8751991 QUMDSJALMKCQTQ-XOBRGWDASA-N 368.437 2.124 0 40 FEAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 4815907 LLNHVMMYZSIBNN-JTQLQIEISA-N 364.402 2.205 0 40 FEAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 7054914 UDYXZFAHRZZKOG-UHFFFAOYSA-N 354.453 2.012 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccco1 7185777 ZATUDWRNYUIWAZ-ZUOKHONESA-N 367.405 2.240 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2cccs2)n1 7533574 DEUNKXWRRPRPMA-UHFFFAOYSA-N 354.409 2.106 0 40 FEAB Cc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1N 9339220 JLROGJZXLFIFSL-GFCCVEGCSA-N 356.378 2.168 0 40 FEAB O=C(CN1CSCC1=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 9336052 RDCQOJSNRPEEEZ-UHFFFAOYSA-N 361.448 2.216 0 40 FEAB CN1C(=O)Cc2cc(C(=O)CSc3nnc4n3CCCCC4)ccc21 9494187 IICVEBRPQCNIKF-UHFFFAOYSA-N 356.451 2.498 0 40 FEAB CC(C)[C@@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCC1 97088887 ZFSHKMNTNIGEOJ-CQSZACIVSA-N 364.475 2.275 0 40 FEAB CCOc1ccccc1[C@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)NC(C)=O 77326870 VDPYNITTXFIBHT-MJGOQNOKSA-N 373.497 2.349 0 40 FEAB Cc1ccc(CNC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20449825 FMBZXXZLTJANTQ-ZHACJKMWSA-N 362.451 2.309 0 40 FEAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc3c(c2)OCO3)c(OC)c1 95464086 RSGDPCJBJGAWQP-AWEZNQCLSA-N 373.361 2.378 0 40 FEAB C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 74217475 DNLBDAVWUUAPJB-CHWSQXEVSA-N 373.906 2.041 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 306129748 ILQSNCWFNJGINY-DLBZAZTESA-N 374.448 2.230 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCOCC4)c3)C(=O)[C@@H]2C1 408686173 SDXVSMXYGWJAKU-DLBZAZTESA-N 354.406 2.005 0 40 FEAB CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709001 NZVUBCYDUZJUNB-CQSZACIVSA-N 353.422 2.470 0 40 FEAB COC(=O)c1nc(NC(=O)CCCn2cnnn2)sc1-c1ccccc1 524732776 MXVREEYWTXJFHF-UHFFFAOYSA-N 372.410 2.002 0 40 FEAB O=C(c1cc(O)nc2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524729557 YJGIMTHXHWMVML-GLJUWKHASA-N 365.433 2.413 0 40 FEAB biogenic COc1ccc([C@H](CC(=O)Nc2ccccc2F)NS(C)(=O)=O)cc1 225955532 YKGXDFHEXRCTSI-INIZCTEOSA-N 366.414 2.453 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225665098 JOUCWNPHJYAEHM-IJEWVQPXSA-N 351.811 2.062 0 40 FEAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 96043282 KMHIWVDOPTXAJQ-IMJJTQAJSA-N 358.467 2.465 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@]32CCNC2=O)o1 96262703 UCLXONUCPPAVGN-NRFANRHFSA-N 373.497 2.288 0 40 FEAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 96220676 DIRJZTZKAADNEG-QGZVFWFLSA-N 373.497 2.289 0 40 FEAB COCCN1CC2(CCN(Cc3scnc3C)CC2)C[C@H]1COC 96207581 UIOOTJDGENXPHU-INIZCTEOSA-N 353.532 2.401 0 40 FEAB O=C(c1cccnc1)N1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 247806429 BKWVBTUMRLZEKI-SFHVURJKSA-N 353.422 2.315 0 40 FEAB O=C(c1cccc([C@@H]2CCCN(Cc3cncs3)C2)n1)N1CCOCC1 257228654 FUSREPSNCIHKTD-OAHLLOKOSA-N 372.494 2.390 0 40 FEAB Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257281288 OOLFTJUNBBRIBO-IKGGRYGDSA-N 352.438 2.435 0 40 FEAB O=C(O)c1cnn(C2CCN(C(=O)[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)CC2)c1 630192333 NHYTWWKLGZMUED-OKZBNKHCSA-N 351.406 2.331 0 40 FEAB Cc1c(C(=O)N[C@H]2CC[C@H](CN)CC2)nnn1-c1cccc2ncccc12 638967174 JEDZFGXLRCUISR-SHTZXODSSA-N 364.453 2.371 0 40 FEAB CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cccc2c[nH]nc12 1623846152 WTMNRSFVHQFRCP-CQSZACIVSA-N 359.430 2.053 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 585108235 AVBDMWYRUOXKDA-BPQIPLTHSA-N 371.412 2.452 0 40 FEAB Cc1csc(-c2cc(CC3CCN(S(C)(=O)=O)CC3)ncn2)n1 585179613 JCEWAFHTQRJNEH-UHFFFAOYSA-N 352.485 2.123 0 40 FEAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585290301 UUPMKWHYVRRXAR-BDOUJZDASA-N 373.428 2.392 0 40 FEAB CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1 1615209003 PCQLZUVBDBPXDO-IAGOWNOFSA-N 362.495 2.205 0 40 FEAB CCOC(=O)CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 5458186 DFLZTXOFTVXYBV-UHFFFAOYSA-N 371.411 2.302 0 40 FEAB Nc1cc(O)nc2nnc(SCC(=O)Nc3cccc4ccccc34)n12 5771189 SXKVYILIVJOIHR-UHFFFAOYSA-N 366.406 2.296 0 40 FEAB Cc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3sccc3n12 12088748 HUBZMTCPTYFHTJ-LLVKDONJSA-N 367.434 2.292 0 40 FEAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccncc4)C3)nn2c(O)c1C 12134227 UDENMLCNDRIRIZ-OAHLLOKOSA-N 351.410 2.467 0 40 FEAB Cc1n[nH]c(C)c1CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 12196171 XBHFWNHQRNNXMI-UHFFFAOYSA-N 370.453 2.366 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)n1 12408106 DTNSRNFFBSGRMH-LESCRADOSA-N 371.412 2.149 0 40 FEAB COc1cc(NC(=O)CSc2nnc(C)s2)c(C(=O)O)cc1OC 12497861 SCSUXVPHTOSADJ-UHFFFAOYSA-N 369.424 2.293 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 13060415 LQVOXSSRVDGFJD-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB C[C@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)[C@@H]1C 13112702 GICAROFGRONRGO-IDLUEMFASA-N 357.454 2.395 0 40 FEAB CO[C@H]1Oc2ccccc2N([C@@H](NC(C)=O)C(Cl)(Cl)Cl)C1=O 16320930 BAKMDWRJVROGQY-NWDGAFQWSA-N 367.616 2.217 0 40 FEAB CCc1cc(C(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCCN3)n2)on1 19709852 IWGOPTLMBBPXKI-OAHLLOKOSA-N 372.473 2.180 0 40 FEAB O=C(CSC1CCCC1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206693516 UBQLUMWMPSDPTN-OAHLLOKOSA-N 357.497 2.471 0 40 FEAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)C2CCCCC2)cc1 225618828 OUPJKPJLOIEZKA-QGZVFWFLSA-N 353.484 2.080 0 40 FEAB O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCN(C2CC2)CC1 560096862 OKYYBGNTGRNXHA-UHFFFAOYSA-N 365.861 2.213 0 40 FEAB Cc1cc(CN2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)on1 1889148740 SARREWUDZGHHPW-UHFFFAOYSA-N 354.414 2.217 0 40 FEAB O=S(=O)(CCOc1ccccc1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889205713 XFQRLQGYRXABMC-SJLPKXTDSA-N 373.478 2.001 0 40 FEAB Cc1c[nH]nc1C[C@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 1848355515 ITSPAUUCKBEQSS-QGZVFWFLSA-N 355.486 2.416 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC(Oc3cccnc3)C2)C1 238884173 PTGGZGCDYWSSIW-AWEZNQCLSA-N 361.442 2.318 0 40 FEAB CCCCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016615 QRLCVNGCKTUYIX-UHFFFAOYSA-N 371.416 2.087 0 40 FEAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccnc3)n2)cc1 9844430 RLLJFWQKQWJNLF-UHFFFAOYSA-N 364.405 2.134 0 40 FEAB CN([C@@H]1CCCN(c2ccc(C(C)(C)C)nn2)C1)S(=O)(=O)C1CC1 2086889224 RPKZWFUUNXZRSF-CYBMUJFWSA-N 352.504 2.167 0 40 FEAB Cc1noc(-c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)n1 49027252 RLGNVQJYYQPLLA-UHFFFAOYSA-N 361.361 2.394 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148183 QNSBGNTZYBUTTJ-INIZCTEOSA-N 354.362 2.006 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC)c(OC)c1 4539708 XZSFWYVWUWJFER-OAHLLOKOSA-N 350.440 2.450 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)NCCc1ccc(F)cc1)C(F)(F)F 40040277 AEQDXCKNSAEUOE-HNNXBMFYSA-N 359.323 2.058 0 40 FEAB Cc1cccc(C)c1OCC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 40081958 NDQNXEADOWTCKE-FQEVSTJZSA-N 367.405 2.376 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)s1 40156740 IPZWYLMUWGBSNT-UHFFFAOYSA-N 360.501 2.076 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nc(N2CCCCC2)ncc1Cl 40141721 HCOIESGVIZRBMV-CYBMUJFWSA-N 368.865 2.438 0 40 FEAB COC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 2451338 UNPFOBADTDGMQK-UHFFFAOYSA-N 374.451 2.034 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 28906378 QBNXMHXOADVINZ-GOSISDBHSA-N 365.449 2.413 0 40 FEAB COCCNC(=O)[C@@H](OC(=O)c1cc2sccc2n1C)c1ccncc1 4923886 XQLLCRPVZDISCF-INIZCTEOSA-N 373.434 2.296 0 40 FEAB O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)NC1CCCCC1 4967549 DSZKTUOPFPLVHN-UHFFFAOYSA-N 360.454 2.148 0 40 FEAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 4975387 UGMVWRUROSQBMX-DEORAPPZSA-N 368.433 2.449 0 40 FEAB CCCCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1 6204352 LWBBJOWCAPGYHK-UHFFFAOYSA-N 354.208 2.497 0 40 FEAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC1 6715376 QIYVYWSWJQJMFH-NONVJHHQSA-N 358.438 2.091 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2C(F)(F)F)n(C)c1=O 7735997 RVFXNDDJOSSGQG-UHFFFAOYSA-N 372.734 2.154 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1F 103061611 YDYGNDKJNOSRGZ-LEWSCRJBSA-N 350.365 2.317 0 40 FEAB COc1cn(CC(=O)Nc2ccccc2)c(CN2CCCCC2)cc1=O 8602086 IPFOUTOQMZSEHR-UHFFFAOYSA-N 355.438 2.482 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H]2CCc3ccccc32)cc1 32850801 SOVMUPJBMQGARH-KDOFPFPSSA-N 358.463 2.466 0 40 FEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCOCC1 2694103 WLCIHEPKAOEUKQ-UHFFFAOYSA-N 363.439 2.382 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2N2CCOCC2)cc1 41571799 KRQOZJVXGXSYGN-UHFFFAOYSA-N 362.451 2.010 0 40 FEAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc2ccccc2[nH]1 103114724 MVBPLMAOEQFSSJ-MELADBBJSA-N 368.437 2.305 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]1O2 107264492 TXXSTDGSRJRIQF-IPMKNSEASA-N 355.413 2.126 0 40 FEAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC(F)F)c(OC)c1 1460559 VCCXSTSKIYXWAB-CYBMUJFWSA-N 366.324 2.350 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC(C)C)cc1 3172848 FSGPAPDEMIUFBM-INIZCTEOSA-N 354.472 2.011 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCc1ccccc1N1CCC[C@H](C)C1 54993633 FUWCJXVTSVJPGX-AWEZNQCLSA-N 362.499 2.443 0 40 FEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35377991 YXAQONGAXQMECY-OALUTQOASA-N 357.498 2.291 0 40 FEAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)s1 57993574 VREHZMFHFZEGES-KGLIPLIRSA-N 357.497 2.173 0 40 FEAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 10024474 QJZKRPMCKOXISQ-SFHVURJKSA-N 357.435 2.174 0 40 FEAB CCc1c(O)nc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O 10060473 NBDBFJAZLAOXAY-JTQLQIEISA-N 361.423 2.360 0 40 FEAB CSc1nc(C)c(CCC(=O)NCCC(=O)Nc2ccncc2)c(C)n1 58163018 IKTAJHHGJBHJDC-UHFFFAOYSA-N 373.482 2.288 0 40 FEAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O)c1ccccc1 58193074 ZWVSZUGYLYLPOJ-LJQANCHMSA-N 355.369 2.256 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N1CCC(N2CCCCC2)CC1 58210354 LIRIAPZUJXPTSU-UHFFFAOYSA-N 371.481 2.279 0 40 FEAB CCc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 3282785 NZEYPZLCDQCWDV-UHFFFAOYSA-N 365.389 2.179 0 40 FEAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36369908 SCMVANIBPCTBLC-UHFFFAOYSA-N 369.425 2.281 0 40 FEAB biogenic CN(C(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H]1CCS(=O)(=O)C1 48287231 OMOCWIALNKRERU-GFCCVEGCSA-N 366.414 2.059 0 40 FEAB CCn1nnc2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)ccc21 48368016 HPFGOHLJTUQNMC-UHFFFAOYSA-N 364.453 2.241 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccc(Br)cc2)cn1)NC1CC1 48367616 ADOPCNZZVWEAHO-UHFFFAOYSA-N 363.215 2.177 0 40 FEAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nncs4)CC3=O)c2c1 12866565 AKTZRAAAIXHRNJ-ZDUSSCGKSA-N 369.450 2.358 0 40 FEAB COc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1OC 3579076 UCJKNLXYFZLWDS-UHFFFAOYSA-N 362.773 2.169 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)o1 48986513 QYTKKPWVXWQUHK-GFCCVEGCSA-N 364.423 2.116 0 40 FEAB C[C@@H]1CCc2[nH]c3c(C(=O)N[C@H](C)C(=O)N4CCOCC4)cccc3c2C1 63249672 ZURBVNRCPRPGGJ-ZIAGYGMSSA-N 369.465 2.270 0 40 FEAB NC(=O)c1cc(-c2csc(CC(=O)NCc3ccccc3)n2)ccc1O 8103439 NGQUNVHIYLVTLM-UHFFFAOYSA-N 367.430 2.474 0 40 FEAB C[C@@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C 14139136 DVRUSVGGFFTHTP-MRVPVSSYSA-N 363.468 2.365 0 40 FEAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4943341 GDQDQRONRRFJRC-CYBMUJFWSA-N 367.405 2.176 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)OC 8745872 KEOHZWLBNDOTKL-UHFFFAOYSA-N 363.395 2.075 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(N)=O)c2)C(C)C)cc1 9647678 CKHJTXIHJQEPPR-KRWDZBQOSA-N 353.422 2.487 0 40 FEAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2C2CC2)CC1 71890536 ZRHXBNCBSBDQLW-SFHVURJKSA-N 372.517 2.401 0 40 FEAB CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1 97045160 UFVMOPKIIONYRR-OAHLLOKOSA-N 360.458 2.042 0 40 FEAB CCc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)c1 72307284 IXZJURHNPQGLKL-UHFFFAOYSA-N 351.380 2.468 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 95459488 NMHSXCQAVWGFFQ-CQSZACIVSA-N 357.476 2.045 0 40 FEAB O=c1n(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccn12 77285847 ZUZALSYWCGGMET-UHFFFAOYSA-N 371.872 2.362 0 40 FEAB in-vitro Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3c3ncon3)cc2F)n1 95981439 VWEVSJNYBYAGOA-INIZCTEOSA-N 371.372 2.225 0 40 FEAB COCC1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 95958665 AYRNPBWHUFQAAK-SFHVURJKSA-N 374.481 2.480 0 40 FEAB COC(=O)c1c(NC(=O)c2cc(C)nc3ncnn23)sc2c1CCCC2 36618982 LSWLHPNBEKBNLU-UHFFFAOYSA-N 371.422 2.412 0 40 FEAB O=C(NC1CCCCC1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408975150 IKEPOYZTHAWBSU-UHFFFAOYSA-N 350.378 2.340 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)c2cccs2)CC1 35436258 IBRZJDIVYNJBKU-HNNXBMFYSA-N 369.490 2.484 0 40 FEAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 4590295 YRDDIMAXVMGUKA-DOMZBBRYSA-N 361.394 2.484 0 40 FEAB biogenic Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCn2cccn2)CC1 72348229 RKIQAADQYRSSNC-UHFFFAOYSA-N 363.421 2.065 0 40 FEAB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 219427358 UDLUTVAJVADJFV-AWEZNQCLSA-N 372.446 2.489 0 40 FEAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(O)cc3)CC2=O)c1 32093511 CVXRWCDTQBFWMZ-GFCCVEGCSA-N 356.378 2.401 0 40 FEAB COc1ccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC 38541254 HRDVPEGYZCNYSZ-CABCVRRESA-N 365.474 2.303 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cc2cccc(F)c2)c1 30444255 PUUZUEXXEHZCTO-UHFFFAOYSA-N 364.442 2.371 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 72360266 MVZHXKWDJYCMRE-OAHLLOKOSA-N 362.397 2.086 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)cc1 223580819 MMZOTRJGZOUXHC-UHFFFAOYSA-N 374.503 2.384 0 40 FEAB CCC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCCC1 333593481 LNCWCXSHOXHUKH-ROUUACIJSA-N 364.534 2.293 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613789 DUSXBLKFAAFMCI-CYBMUJFWSA-N 371.220 2.042 0 40 FEAB O=C(c1ccc(Cl)cc1-n1ncnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 94993203 IMGNKRAOCHNISB-PXAZEXFGSA-N 361.833 2.083 0 40 FEAB Cc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)n2nc(C)cc2C)cc1 98212027 IBTMAEPMPRPAPC-UHFFFAOYSA-N 359.411 2.021 0 40 FEAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96043288 WSVMSEOPKJGMPP-IPELMVKDSA-N 355.438 2.013 0 40 FEAB O=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 96160974 HZWTXTIBCHPAAH-DNVCBOLYSA-N 357.410 2.298 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 96245403 QQRUZPDQQIKIFA-IAGOWNOFSA-N 358.463 2.145 0 40 FEAB CN(C)C(=O)CO[C@@H]1CCN(c2ncccn2)C[C@@H]1Cc1ccccc1 96219851 FWVDLBOWDGWNAB-ZWKOTPCHSA-N 354.454 2.019 0 40 FEAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3)C2)OC1 248157481 WDLNNYMXWVBKKZ-SFHVURJKSA-N 353.466 2.436 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCCc3ccncc3)cn2CCN1CC1CCC1 253591388 MWCJICOSUKWTQF-MRXNPFEDSA-N 367.497 2.356 0 40 FEAB Cc1ccn(C[C@@](C)(O)C(=O)Nc2ccc(-n3ccc(C)n3)cc2)c(=O)c1 585082172 VLCYFJWRKKDDLV-HXUWFJFHSA-N 366.421 2.041 0 40 FEAB Cn1nc(CNS(=O)(=O)c2cc(F)ccc2F)cc1-c1ccco1 85471379 JTNCTDUGRBIZDS-UHFFFAOYSA-N 353.350 2.437 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccncc1C(F)(F)F 619314968 MJILLNGUDMLTJM-GXFFZTMASA-N 354.332 2.342 0 40 FEAB CCCS(=O)(=O)Cc1noc([C@H](C)n2ccc(C(F)(F)F)n2)n1 632114273 DPRCFPFFCVFYFJ-QMMMGPOBSA-N 352.338 2.219 0 40 FEAB CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c2ccccc21 637439093 UYIVWUHDSBUYKS-COXVUDFISA-N 365.499 2.334 0 40 FEAB O=C(Cn1cc(NC(=O)Nc2c[nH]nc2C2CC2)cn1)NC1CCCC1 666212973 TWBRHJJZBJUSBT-UHFFFAOYSA-N 357.418 2.186 0 40 FEAB Cn1cnnc1[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 681878497 UAWFXPBISJQTMY-LLVKDONJSA-N 361.452 2.214 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)COc2ccc(F)c(Cl)c2)o1 1775957040 ANPIEZLSMAHENP-NOZJJQNGSA-N 369.780 2.138 0 40 FEAB NC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 20432475 ZJYDTSIEALHMFB-UHFFFAOYSA-N 353.669 2.214 0 40 FEAB O=C(C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 5721981 ADNPZYGKSDNZHO-CQSZACIVSA-N 364.810 2.463 0 40 FEAB CCc1ccc(N2C[C@H](C(=O)O[C@H](C(N)=O)c3ccccc3)CC2=O)cc1 11737947 BERBXQMYPDKLHV-APWZRJJASA-N 366.417 2.372 0 40 FEAB CC(C)n1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)cn1 12089261 OGXAXOYHZMQCNR-IBGZPJMESA-N 353.426 2.252 0 40 FEAB CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccsc3n12 12114260 GVRIZYDJQPTJMW-UHFFFAOYSA-N 356.407 2.183 0 40 FEAB CC[C@H](C(=O)NCc1ccco1)N(c1ccc(C)cc1)S(C)(=O)=O 13713296 BNPXJCOBIRDDRU-MRXNPFEDSA-N 350.440 2.449 0 40 FEAB CC1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 19496723 NSKAZHJGRAXDGC-UHFFFAOYSA-N 367.453 2.426 0 40 FEAB COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 19554119 NGFFDHZJWZSFHT-UHFFFAOYSA-N 366.465 2.080 0 40 FEAB CC(C)OCC(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19706055 QJVWUJMCFWMYCS-KRWDZBQOSA-N 359.470 2.352 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2F)cc1 19855586 ZSYCPUFZUJALPQ-UHFFFAOYSA-N 350.415 2.418 0 40 FEAB Cc1nc(N2CCN(c3nnc(C4CC4)s3)CC2)cc(-n2cccn2)n1 1888951548 KRCAPKFDUBFBQG-UHFFFAOYSA-N 368.470 2.026 0 40 FEAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NC1CCCCC1 35539850 OKCWTPBYMNSSFA-UHFFFAOYSA-N 362.449 2.106 0 40 FEAB COC(=O)c1nn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 12417742 PPCVMUZGCUYQAJ-UHFFFAOYSA-N 353.334 2.190 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037838322 DFCCBBOPKCORKJ-UHFFFAOYSA-N 351.406 2.120 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3ncc[nH]3)CC2)CN1c1cccc(F)c1 2037840403 LXWXTPMQWAALCA-LJQANCHMSA-N 358.417 2.337 0 40 FEAB Cn1cncc1C(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087132266 VIKTYTPSERQDMA-BXUZGUMPSA-N 365.359 2.185 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)NCc2ccc(F)cc2)C1 4776336 WHOURFSYHKBHBU-CABCVRRESA-N 357.454 2.481 0 40 FEAB CC(C)Sc1cccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c1 9816846 BYEFBBKPZNIAQR-UHFFFAOYSA-N 374.422 2.325 0 40 FEAB COc1ccc(NC(=O)CSc2cc(-n3cccn3)ncn2)cc1OC 1775967091 DZVUHLCOTQTYOH-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCc1cc(-c2ccco2)on1 36662449 SLVLMMFYRWVLPM-UHFFFAOYSA-N 360.391 2.415 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2ccn(C)n2)C1 585389873 SUZVLQSHWVCUOJ-LBPRGKRZSA-N 353.419 2.136 0 40 FEAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 40160210 MPZGJCDNDDENCK-CYBMUJFWSA-N 364.829 2.105 0 40 FEAB Cc1noc(-c2ccc(N3CC[C@H](NC(=O)Cc4cccs4)C3)nc2)n1 90591908 ZQYORDCDQXWFFF-AWEZNQCLSA-N 369.450 2.439 0 40 FEAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1csc(Br)c1 28923231 NRNXZLJPOCWDFM-ZDUSSCGKSA-N 366.240 2.245 0 40 FEAB O=C1C[C@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@@H]2CO[C@H]1O2 4524385 NIKGNGJPFJMWDQ-BPUTZDHNSA-N 354.391 2.207 0 40 FEAB CC(=O)OCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 4891553 KHGAIESRYZRKOF-SSZFMOIBSA-N 356.378 2.120 0 40 FEAB Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7423101 FYDUYUFUJNTYJH-UHFFFAOYSA-N 371.347 2.283 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)cc1 21131086 SVPGXAPAVKFBCM-MRXNPFEDSA-N 369.465 2.228 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)n12 57731007 IPLUBVYIBHYXGR-ZIAGYGMSSA-N 367.453 2.396 0 40 FEAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1-n1cnnn1 12391637 TUGVPNSOJMENOI-UHFFFAOYSA-N 362.393 2.151 0 40 FEAB CC(C)[C@@H](C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 22881316 ONQYZTFXSWFSRG-CQSZACIVSA-N 371.478 2.276 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccccc2)CC1=O 818398 OMAAWKCJGAOBTI-HNNXBMFYSA-N 353.374 2.474 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)COc2ccc(F)cc2)C1 57994237 FZOMNYJCMSRRTD-ZIAGYGMSSA-N 351.422 2.151 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 24540842 LIBKLFXUVLZYHN-RDJZCZTQSA-N 352.500 2.328 0 40 FEAB CCCc1nnc(S)n1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 24839689 OEZWMFOGGDJXMP-UHFFFAOYSA-N 356.354 2.480 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1C 24823681 LHFXRZDQDXCACF-INIZCTEOSA-N 357.410 2.266 0 40 FEAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4CCC(C)CC4)nc3c12 57730711 SNUJFCOPCGECAT-UHFFFAOYSA-N 373.482 2.235 0 40 FEAB C[C@@H](C(=O)OCCOc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102629482 GJUFUMATMXMCHO-IHRRRGAJSA-N 361.369 2.087 0 40 FEAB NC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 107331676 OSNUMVVFXXVDSU-UGFHNGPFSA-N 364.829 2.142 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)OCC(=O)N1CCCc2ccccc21 8157252 UVGDLEAPDCFAJC-UHFFFAOYSA-N 366.373 2.117 0 40 FEAB Cc1ccc2c(CC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)coc2c1C 58143403 WSYDFNIHTUBJBI-HNNXBMFYSA-N 364.467 2.132 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)NCc1ccccc1 58192882 FLDWTKUWMXLEJD-UHFFFAOYSA-N 363.417 2.482 0 40 FEAB COCCn1cc(C(=O)NC[C@H](O)COc2ccccc2)c2ccccc21 58218985 RFEDUGQKCAPZQM-INIZCTEOSA-N 368.433 2.457 0 40 FEAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2103727 WBEYFWVIYMHLEU-RYUDHWBXSA-N 361.394 2.411 0 40 FEAB biogenic Cc1cc2n(n1)C[C@H](CN[C@@H](CN1CCCC1=O)c1ccccc1)CN2 58366706 NOFQHEGZAAUORR-AEFFLSMTSA-N 353.470 2.187 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)on1 58429296 FPIBOKWWBUBEEW-UHFFFAOYSA-N 371.437 2.400 0 40 FEAB COCCCN(C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 48369000 CIUXGVZBCIGCFT-LBPRGKRZSA-N 369.259 2.297 0 40 FEAB Nc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 3451257 ZMIGFZNTSWYJRO-UHFFFAOYSA-N 362.769 2.489 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 13428018 GVAAGYAJPGPLEO-INIZCTEOSA-N 361.419 2.177 0 40 FEAB COc1ccc2[nH]c(C)c/c(=N/CCc3ccc(S(N)(=O)=O)cc3)c2c1 8491242 JHNUZFMOOSCPHZ-UHFFFAOYSA-N 371.462 2.276 0 40 FEAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)O 5272704 QHNDFNINZNWXRI-HOTGVXAUSA-N 374.437 2.424 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)C 26523570 PSDCVWOVPJIZCE-UHFFFAOYSA-N 350.440 2.452 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCOc2ccc(F)cc2)cc1 14196639 OLOMPWLSODSIDW-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14182817 SHQWRIWTVZKSOL-KZULUSFZSA-N 365.389 2.110 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1 14275156 JWRWDYGPGOWOPC-UHFFFAOYSA-N 369.856 2.429 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 6550819 CTNZTXMDILBAPI-UHFFFAOYSA-N 368.842 2.452 0 40 FEAB CCOC(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 6993758 RZEREWHGSWQUSZ-UHFFFAOYSA-N 362.455 2.068 0 40 FEAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N1CCc2ccccc21 5993458 RLSWECIUCNDRCV-QMMMGPOBSA-N 357.361 2.081 0 40 FEAB CCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 7085775 DUQFKEQNDQOXRS-CYBMUJFWSA-N 365.389 2.067 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(=O)[nH]1 7118539 BXIMYUMBDTXPJJ-OAHLLOKOSA-N 361.467 2.124 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 8895898 QXHBHKAXPJXISP-INIZCTEOSA-N 367.496 2.288 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 15762565 NPLJEOSRZNODTM-KBPBESRZSA-N 352.456 2.295 0 40 FEAB Cc1csc(=O)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 9220718 GEBSAODPNYQAEK-UHFFFAOYSA-N 351.859 2.220 0 40 FEAB CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 89943540 KPBSITXSGQBJBO-ZDUSSCGKSA-N 367.298 2.071 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C/C(=C\c3c(C)nn(C)c3C)C2=O)cc1 9482481 IFJDVAAXUXMWSI-NTEUORMPSA-N 352.394 2.342 0 40 FEAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9582117 DPNSPIXUBYPCQT-HXUWFJFHSA-N 367.405 2.022 0 40 FEAB O=C(CCC(=O)N1CCC[C@@H]1CCCO)N1CCC(c2ccccc2)=N1 95444556 KZFWWKULURFGER-QGZVFWFLSA-N 357.454 2.167 0 40 FEAB Cn1cc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cn1 79482543 RNSFHSPZVLMARS-UHFFFAOYSA-N 362.216 2.411 0 40 FEAB Cn1cc(-n2cc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)ccc2=O)cn1 95940382 TWMITBPWUIMZLA-UHFFFAOYSA-N 366.406 2.275 0 40 FEAB CC[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1cc(C)on1 95946729 PIFCHBGCGDBZKH-SFHVURJKSA-N 372.469 2.322 0 40 FEAB COc1cc2nc(NN)n(CCc3ccc(F)cc3)c(=O)c2cc1OC 408712655 FNVKJDBURVVDQM-UHFFFAOYSA-N 358.373 2.081 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2nncn2C)CC1=O 120984747 HZFZSESTZGUCQF-WBVHZDCISA-N 367.453 2.094 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1C 408607928 RARQDTFDJJWQGZ-UHFFFAOYSA-N 368.499 2.372 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 39558939 CXHBYAHXIXBSLT-UHFFFAOYSA-N 362.748 2.017 0 40 FEAB O=C(C1CCN(c2cnccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 35311958 XYNCRTDQIUEBNB-UHFFFAOYSA-N 369.444 2.181 0 40 FEAB COc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 72242058 PJFCGFUGZDVOHB-IEBWSBKVSA-N 353.422 2.316 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223319764 FLFJQZVDVBRWCD-UHFFFAOYSA-N 362.363 2.017 0 40 FEAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 567443204 PZVCNZITIMPREX-INDMIFKZSA-N 350.422 2.026 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222471054 KWIDDGJHWHIEBG-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2)CC1 225467669 ZAFKDGXSKQZRMN-UHFFFAOYSA-N 373.522 2.459 0 40 FEAB biogenic,in-vitro CSCC[C@@H](C(=O)NCc1nnnn1-c1ccccc1)n1cccc1 575444541 XOAUFVMFHOTGEX-HNNXBMFYSA-N 356.455 2.074 0 40 FEAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 223646288 YUSNVSNSNUQHNT-IRXDYDNUSA-N 358.467 2.264 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C1 329018604 LBWACHHFNGJSAC-MOPGFXCFSA-N 363.461 2.423 0 40 FEAB Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)o1 96060769 ZGBSFIVDYMUAHS-OAHLLOKOSA-N 353.426 2.428 0 40 FEAB O=C(c1ccsc1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230221 XSYWLAKMSIOROG-UHFFFAOYSA-N 369.490 2.355 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)NC1CCCC1)C2 96238220 MMAYFSQNHPIAGC-SFHVURJKSA-N 362.499 2.123 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96238111 VNXFWRHTVBSBLS-LJQANCHMSA-N 373.453 2.451 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 96052382 XHVFBHSSGWWOQO-WOJBJXKFSA-N 357.454 2.342 0 40 FEAB COc1ccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)O)[nH]c2c1 514288432 FFMDPHBSOGMMHO-KBPBESRZSA-N 371.437 2.463 0 40 FEAB biogenic,in-vitro CC(C)Nc1nc2c(c(NC3CC3)n1)CCN(Cc1cnn(C)c1)CC2 96254619 HOIUAAMQOYAJCA-UHFFFAOYSA-N 355.490 2.206 0 40 FEAB Cc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)cc1S(=O)(=O)N(C)C 97406359 ACRCVFDAAJYYGB-UHFFFAOYSA-N 350.444 2.344 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107727 SRDNOUUQAKAZED-UZLBHIALSA-N 359.422 2.144 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@H](CCOc4ncccn4)CCO3)C2)o1 247930029 QKFLNMIMKGDTCB-OAHLLOKOSA-N 357.410 2.468 0 40 FEAB COCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 257240997 HWEGFGLRFSXAPM-ZIAGYGMSSA-N 362.474 2.165 0 40 FEAB Cc1[nH]nc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)c1-c1cccc(F)c1 640943433 AYDZLKOPAORSMJ-CYBMUJFWSA-N 353.401 3.001 0 40 FEAB COc1cccc(N2CCN(Cc3ncccc3C(=O)O)[C@@H](C)C2=O)c1 65387943 VHDONXJUZLHZPH-ZDUSSCGKSA-N 355.394 2.026 0 40 FEAB O=C(Nc1ccc2c(c1)COB2O)c1ccc(-c2noc(C(F)F)n2)cc1 1776002902 LKFSZZCYRXAVCV-UHFFFAOYSA-N 371.108 2.144 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 606919247 XFLGHDUADCMYQF-JTQLQIEISA-N 357.336 2.436 0 40 FEAB COc1ccc2[nH]c(C(=O)NCc3nc(CN4CCCCC4)no3)cc2c1 614464452 BFRQRJHTEBCLFA-UHFFFAOYSA-N 369.425 2.475 0 40 FEAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc1 8083689 PUVACJQGQHWBRK-PTNGSMBKSA-N 362.451 2.438 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2cccnc2)n[nH]1 5483002 RTQAQCXLYUVLAP-UHFFFAOYSA-N 369.406 2.384 0 40 FEAB CCc1cc(N2CCN(C(C)=O)CC2)n2nc3nc(C)cc(C)c3c2n1 12184408 BJJDGGXBSINJEW-UHFFFAOYSA-N 352.442 2.125 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 12932414 XWMNEZCXICFKIE-SECBINFHSA-N 374.395 2.412 0 40 FEAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCCN4C)n3CC2)s1 19706449 UVCYXLPOKKCJJE-CQSZACIVSA-N 374.514 2.207 0 40 FEAB O=C(CN1CCC[C@H](Cn2ccnc2)C1)Nc1ccc2c(c1)OCCCO2 19715461 UKPXDGPKXOTFFE-INIZCTEOSA-N 370.453 2.395 0 40 FEAB CNCc1cc(NC)nc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19760388 IIMFVTHFCVVRKK-MRXNPFEDSA-N 372.448 2.152 0 40 FEAB C[C@@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)Oc1ccc(Cl)cc1 507571576 UZZXIKPYXBQDKD-LBPRGKRZSA-N 351.834 2.124 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829634 FPAALEUPFDHNAJ-NWDGAFQWSA-N 368.359 2.487 0 40 FEAB COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1cccc(F)c1 4166215 DYAUUYARHJPBQV-UHFFFAOYSA-N 359.401 2.021 0 40 FEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3CCc2ccc3c(c2)CCO3)OCC1=O 1888863771 MQJWGGOOCNKFHV-HTZLVSCSSA-N 356.466 2.018 0 40 FEAB Cc1nccc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888881947 WHPSCDYMEPRQFD-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB Clc1ccccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889119545 WZYREICPIPLEAS-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1889122801 PFSSJOXPOBCCNU-UHFFFAOYSA-N 354.332 2.354 0 40 FEAB COc1ccc2sc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2c1 1889191842 OTMGBFOHSQVOJE-UHFFFAOYSA-N 367.496 2.309 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccn2)c1 29005549 PJTQRZONQQGFRR-UHFFFAOYSA-N 367.858 2.352 0 40 FEAB Cn1nc(-c2cnccn2)cc1CNC(=O)CSCc1ccccc1 244909747 ATMQOASTULHUER-UHFFFAOYSA-N 353.451 2.427 0 40 FEAB COCCN1CCO[C@H]2CCN(C(=O)c3ccc4c(ccn4C)c3)CC[C@H]21 2055746207 ZKLUVGDVJVEZJD-UXHICEINSA-N 371.481 2.130 0 40 FEAB CCN1CCN(C(=O)N[C@H](c2ccsc2)c2cccs2)C(=O)C1=O 618256271 PZUBNGRKXNFVJH-CYBMUJFWSA-N 363.464 2.299 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cc[nH]n1 40105382 ZACCCSNRCWJBTM-CQSZACIVSA-N 366.874 2.231 0 40 FEAB CCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(SC)n1 2437930 FEAOOQOOBUHBAS-UHFFFAOYSA-N 356.411 2.364 0 40 FEAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCCCn1ccnc1 8343660 LFUQRUUIDCLNSL-UHFFFAOYSA-N 357.410 2.214 0 40 FEAB CCOC(=O)N1CCc2c(sc3nc(SC(C)C)n(N)c(=O)c23)C1 1016713 IGTLUDLAIIJCHP-UHFFFAOYSA-N 368.484 2.187 0 40 FEAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)NC4CCCCC4)cc3c21 8022129 ZTJNZLITYNALQJ-UHFFFAOYSA-N 361.423 2.291 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)cn2)CC1 69404132 SSAFBQLYROJBDR-UHFFFAOYSA-N 373.840 2.398 0 40 FEAB O=C(Nc1cccnc1)[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 107264747 NOCSWFLXHWKBCD-YESZJQIVSA-N 370.384 2.481 0 40 FEAB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(O)cc2)s1)c1ccc(Cl)cc1 105631698 KHJDLOUFJLZQJL-IPPJXQLGSA-N 357.818 2.288 0 40 FEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(CC(=O)N2CCCCCC2)CC1 105766263 PMQOZBLTJWSCMR-GBESFXJTSA-N 361.530 2.360 0 40 FEAB C[C@@H](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccccc1 24836819 JQAROYCFVKEFNY-HNNXBMFYSA-N 364.453 2.206 0 40 FEAB CCOC(=O)N(C)CC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454627 HXTGRCMJLYYUSV-UHFFFAOYSA-N 352.406 2.078 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)c1 25045772 VIGWPBQHYCINAM-UHFFFAOYSA-N 366.370 2.372 0 40 FEAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 25196758 ZEMUNGAHKUECBS-VIFPVBQESA-N 350.758 2.259 0 40 FEAB O=C1C[C@@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@@H]2CO[C@@H]1O2 101624636 NIKGNGJPFJMWDQ-VNQPRFMTSA-N 354.391 2.207 0 40 FEAB CCOc1ncccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25777158 NKLRQKLKOXOFNG-UHFFFAOYSA-N 369.421 2.167 0 40 FEAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 107326517 VCWVYVKXMQWPFT-WFGGJUAMSA-N 369.421 2.021 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100487005 FRVHIMILJVKLLT-HZPDHXFCSA-N 359.422 2.009 0 40 FEAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 57478712 KODYLLPOQDEGRF-UHFFFAOYSA-N 371.462 2.293 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2C(=O)COc3cc(C)ccc32)c1 51316275 QMTYLFJVQHUFNW-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB COc1nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc2ccccc12 58224830 MUJPGFFEBMEYID-UHFFFAOYSA-N 353.422 2.374 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)C1=Cc2cc(Cl)ccc2OC1 58200769 OLAQNANMXNAXGL-UHFFFAOYSA-N 367.796 2.408 0 40 FEAB COCCn1nc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)ccc1=O 58208441 YECVLRJNKFFDOZ-UHFFFAOYSA-N 369.425 2.247 0 40 FEAB NC(=O)c1ccccc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1 36394793 OWHQMQAXJIZVIX-UHFFFAOYSA-N 370.428 2.075 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1COc2ccccc2O1 12774410 NRBUEXFIYDRSKC-GOSISDBHSA-N 352.390 2.270 0 40 FEAB O=c1c2ccccc2nnn1CSc1nnnn1-c1ccc(Cl)cc1 3493435 WLIPNPZATOYPFI-UHFFFAOYSA-N 371.813 2.170 0 40 FEAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 3419637 PBDSIKBTZTUQJB-HNNXBMFYSA-N 357.841 2.442 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 12905237 ODIDZWONSHJTCT-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 12935539 XUULNAIKRYBBJV-UHFFFAOYSA-N 372.768 2.446 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl 12901711 LMBRWQPCXFKYKS-UHFFFAOYSA-N 357.819 2.204 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3ccccc3)cn2)CC1 62545560 YKZRRMTVORKTEJ-UHFFFAOYSA-N 359.451 2.359 0 40 FEAB CC[C@H](C)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)OC 6247075 LLLPBMAXXYTAJB-BBRMVZONSA-N 351.422 2.245 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cn3ccccc3n2)c1C 4485253 HHUOPJCRNLDFCX-LBPRGKRZSA-N 369.377 2.494 0 40 FEAB O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 5347367 LCYSZGKKPCMNIQ-JFBXQDQPSA-N 374.418 2.189 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C 14124582 DOCOUPPVDAOFLW-LBPRGKRZSA-N 371.470 2.347 0 40 FEAB COc1cc2nc(CN3CCn4cccc4[C@H]3C)[nH]c(=O)c2cc1OC 14120960 YJYGCOSLUUTKRK-GFCCVEGCSA-N 354.410 2.319 0 40 FEAB Fc1ccc(-c2noc(CSc3nnnn3C[C@@H]3CCCO3)n2)cc1 14140514 IGPDQEUPNYBDRC-LBPRGKRZSA-N 362.390 2.334 0 40 FEAB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 14166683 LOUUWEYWABOJCA-HNNXBMFYSA-N 363.421 2.100 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 306124409 BPEYMVBNGMGNCZ-CABCVRRESA-N 369.444 2.004 0 40 FEAB NC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 4682149 BUZZGPPCFVBBLP-UHFFFAOYSA-N 363.889 2.276 0 40 FEAB COc1ccc(NC(=O)c2sccc2OS(=O)(=O)N(C)C)cc1 5525007 SKRKGYTZWLSANH-UHFFFAOYSA-N 356.425 2.194 0 40 FEAB CCN(Cc1ccncc1)S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7059713 ZUTLMHFCCJYMCL-UHFFFAOYSA-N 363.439 2.259 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 7007172 HCKJLXYUXIQNQC-UHFFFAOYSA-N 357.362 2.191 0 40 FEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCC(N)=O)cc2)cc1 7581402 QLYHIWKTXZGPJD-ZDUSSCGKSA-N 371.389 2.378 0 40 FEAB COC(=O)C1(CNC(=O)c2cc(F)cc(Br)c2)CCOCC1 96005896 WKNYUAAVLDBLTR-UHFFFAOYSA-N 374.206 2.288 0 40 FEAB C[C@@H](CN1CCOCC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 96010302 NCYLKKSRUGPTIV-KRWDZBQOSA-N 355.434 2.186 0 40 FEAB CCCc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 9484435 RKTQIJXXVDKDJT-SFHVURJKSA-N 358.463 2.240 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(=O)[nH]1 75566131 GKDMZUUJDWHDDM-FQEVSTJZSA-N 369.465 2.292 0 40 FEAB C[C@H](O)C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 84637016 SRIUTSSZKUUXTL-DOTOQJQBSA-N 365.433 2.067 0 40 FEAB c1ccc(-n2nnnc2NC[C@H](c2cccs2)N2CCOCC2)cc1 23865049 DPWKFYQVVUYGLR-OAHLLOKOSA-N 356.455 2.209 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 79092470 DIZLVJXQBSTYGE-PWSUYJOCSA-N 372.874 2.030 0 40 FEAB O=C(c1ccc[nH]1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999133 XXRFJBQVRKUDJL-HNNXBMFYSA-N 359.451 2.012 0 40 FEAB CC1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1 68511062 UCPKTHVAALMOOC-UHFFFAOYSA-N 359.514 2.371 0 40 FEAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@@H](CO)Cc1ccco1 515416694 OSJSOZSIECORIV-INIZCTEOSA-N 354.410 2.116 0 40 FEAB CCn1c(O)nc2cc(C(=O)N[C@@H](C)c3cnn(C(C)C)c3)ccc2c1=O 524281672 OQFRUQLHJCCKFX-LBPRGKRZSA-N 369.425 2.390 0 40 FEAB Cc1ccsc1CN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1 72335485 WXZGELMVLJRPMZ-ZIAGYGMSSA-N 374.510 2.312 0 40 FEAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 72376980 PJZKQMHNEVBMDJ-HNNXBMFYSA-N 361.471 2.059 0 40 FEAB CON(C)C(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl 85223579 VRGYYWMUTXDXKN-UHFFFAOYSA-N 365.820 2.132 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC(c2ccccc2F)=NO1 226747051 CEVDYHMZGBYXQV-XCLFUZPHSA-N 373.428 2.226 0 40 FEAB CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@@H]3O2)CC1 96041025 ZUGPTNIVYPXXDB-FHWLQOOXSA-N 350.503 2.151 0 40 FEAB Cn1c(=O)n(C)c2cc([C@@H]3CC(=O)Nc4ccc5nsnc5c43)ccc21 96223676 OMPZXAQBBMQSNM-JTQLQIEISA-N 365.418 2.356 0 40 FEAB O=C(C1CC=CC1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 96207840 RSZGXWVLQXYGNS-KRWDZBQOSA-N 357.454 2.467 0 40 FEAB CO[C@H]1CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 257320583 VXKPGQZFZHMPAE-YJBOKZPZSA-N 370.396 2.496 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F 253473336 UGFIIHNECVAUSW-CYBMUJFWSA-N 369.400 2.208 0 40 FEAB CN(C(=O)c1cccc(Cc2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 257304565 SMFXFAPOTCDUAI-MRXNPFEDSA-N 362.426 2.071 0 40 FEAB CCOc1ccc(CN2CCOC[C@H](Cc3ccncn3)C2)cc1CO 257212114 CBZYIVDMOMQIRA-QGZVFWFLSA-N 357.454 2.059 0 40 FEAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)CN(C)C)C3)cn2)n1C 257270470 MUIITTUKTDJEMA-QGZVFWFLSA-N 355.486 2.133 0 40 FEAB CO[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 682598444 CDRZIJMEBLRDMF-AWEZNQCLSA-N 366.215 2.284 0 40 FEAB CCN1C(=O)C[C@H](C(=O)N(C)Cc2occc2C)[C@H]1c1cnn(C)c1C 615196847 WRYLLGYKEAIIPJ-KSSFIOAISA-N 358.442 2.198 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2CN3C(=NC2=O)N(N)c2ccccc23)cc1C 618256016 DJUVDGVPSBMOPY-CQSZACIVSA-N 363.421 2.345 0 40 FEAB C[C@@](CNC(=O)c1ccn(C2CCOCC2)n1)(C(=O)O)c1ccccc1 630170143 MHRYRFUHLOPBMH-IBGZPJMESA-N 357.410 2.007 0 40 FEAB COc1ccccc1-c1noc([C@H](C)NC(=O)C2(C(=O)O)CC=CC2)n1 663117535 ONLHVNNTNMRWFH-NSHDSACASA-N 357.366 2.343 0 40 FEAB COCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585095031 ANCKSFKGWJVAOW-INIZCTEOSA-N 356.422 2.454 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cn1 56373286 CBCYVBQQDOCFMO-AWEZNQCLSA-N 364.446 2.289 0 40 FEAB Cc1nc(-c2cccc(NC(=O)C(=O)N3CCC(CO)CC3)c2)oc1C 67368617 MSRAQPAOZVJFNL-UHFFFAOYSA-N 357.410 2.128 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72360402 YVAVXVQWAIXWON-CQSZACIVSA-N 374.470 2.470 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 5278011 CNUFXGCNWVFVAG-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB C[C@@]1(NC(=S)Nc2cccc(Br)c2)CCS(=O)(=O)C1 12139541 HVDUTLBZOYYROJ-GFCCVEGCSA-N 363.302 2.313 0 40 FEAB Cc1nccn1CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 12147310 AYZKHXNNSVBKCO-UHFFFAOYSA-N 370.453 2.031 0 40 FEAB CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17056443 JHYNDFCHZRYIPO-KGLIPLIRSA-N 356.463 2.387 0 40 FEAB Cc1ccc(CC(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)cc1 19210012 AEDPKXDJXZLWQE-KRWDZBQOSA-N 363.465 2.176 0 40 FEAB Cc1nc([C@H]2CCN(Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[nH]1 19285240 YJOBXYNRYFSNQF-INIZCTEOSA-N 352.438 2.195 0 40 FEAB COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 19554584 WTAPLUFZKQAQJO-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)CC[C@H]2CCCO2)n1 19585342 CXNDHSZOXICPLB-MRXNPFEDSA-N 369.469 2.223 0 40 FEAB O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccnn1C1CCCC1 19659253 AAACOUZYYIMOGL-UHFFFAOYSA-N 359.474 2.024 0 40 FEAB Cc1nonc1CC(=O)N1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 19688698 AKBRLUPTUJHAAO-OAHLLOKOSA-N 364.409 2.179 0 40 FEAB O=C1CO[C@@](c2nccs2)(C2CCN(Cc3ccccc3)CC2)CN1 19696653 QBXZJANUYSOJBK-LJQANCHMSA-N 357.479 2.397 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2C)C1 19705534 KUMKRBKKWQRJBP-ZDUSSCGKSA-N 358.446 2.121 0 40 FEAB Cc1nnc2ccc(NCC(=O)NCC3(c4ccccc4Cl)CC3)nn12 19719223 QBLQPTCTCFNMNF-UHFFFAOYSA-N 370.844 2.346 0 40 FEAB O=C(NCCOc1ccccc1)N1CCN(c2cc(C3CC3)ncn2)CC1 207957808 LTSMLAAFTUWCKU-UHFFFAOYSA-N 367.453 2.265 0 40 FEAB O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(N2CCCC2)nn1 585124084 NBGXUPUQKXVKMG-QGZVFWFLSA-N 366.400 2.458 0 40 FEAB O=C1[C@@H]2CN(c3ncnc(C4CC4)c3F)C[C@@H]2C(=O)N1c1ccccc1 1888854230 MNTDBLDWZBSNBL-OKILXGFUSA-N 352.369 2.119 0 40 FEAB CC(C)[C@H](C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 22881321 ONQYZTFXSWFSRG-AWEZNQCLSA-N 371.478 2.276 0 40 FEAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(OC)c(F)c3)nc2s1 26866650 MZQHRHQYSPAUHY-UHFFFAOYSA-N 362.430 2.493 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565550495 BVFDTJGYMQOVGZ-PMPSAXMXSA-N 352.381 2.402 0 40 FEAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cn1 1565556285 QKPGGJJKDJLDNF-UYAOXDASSA-N 353.422 2.492 0 40 FEAB NC(=O)CSc1nnc(NC(=O)Cc2cccc3ccccc23)s1 7386880 SZMIMDJEYUHQOP-UHFFFAOYSA-N 358.448 2.450 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)on1 2055806606 XHVCASVOPSCGTO-AWEZNQCLSA-N 373.409 2.169 0 40 FEAB CN(C)C(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2)CC1 390828424 AYQMZAZQIIJNJS-UHFFFAOYSA-N 358.364 2.224 0 40 FEAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1Br 575606834 FSRPBZMUZPGQKV-UHFFFAOYSA-N 362.227 2.313 0 40 FEAB O=C(NCCn1ccnc1-c1cnccn1)c1ccc(Br)o1 575607256 AZPXANXTIHILRX-UHFFFAOYSA-N 362.187 2.126 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20457651 OCCXVVDFHRHXCK-UHFFFAOYSA-N 356.397 2.441 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc2ccccc2s1 28838957 RDMFJYQHTPEWIO-UHFFFAOYSA-N 358.423 2.490 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1 806168 UUXIDMWULJIPDU-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccco2)cc1 2628609 ZYSJOKKYDYWSAC-KRWDZBQOSA-N 362.451 2.448 0 40 FEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCC(=O)Nc1ccccn1 45828991 AATPUDFRWQOIHS-CQSZACIVSA-N 370.434 2.030 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 3610819 DXTDXBBIKRSMGL-FQEVSTJZSA-N 353.422 2.379 0 40 FEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(-c2nnco2)cc1 36826529 NQDNDMJZCPHYOF-GOSISDBHSA-N 365.389 2.432 0 40 FEAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC(C)C)cc1OC 20732550 OZNPYLQCMRVIAV-UHFFFAOYSA-N 371.437 2.379 0 40 FEAB O=C(C1=COCCO1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 4583527 IIJWUQLOVFEIOW-UHFFFAOYSA-N 367.377 2.111 0 40 FEAB CN(Cc1ccccc1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 21002588 XOQUHUZFFASODS-UHFFFAOYSA-N 351.406 2.411 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(COc2ccc3c(c2)OCO3)c1 56187469 VSKHOPVVNWAPIE-GFCCVEGCSA-N 371.393 2.250 0 40 FEAB COc1cccc(C(=O)Nc2nc3[nH]c(-c4ccccc4)cc(=O)n3n2)c1 100650718 UJBVWARUALJBKF-UHFFFAOYSA-N 361.361 2.346 0 40 FEAB O=C(CCCn1cnc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 9609068 UMQJMGYIAPEGBC-UHFFFAOYSA-N 361.405 2.369 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 102835746 XPEIMWFQESQJEV-CALCHBBNSA-N 359.857 2.371 0 40 FEAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCOCC1 9937487 DEJRDBPHVGETIK-UHFFFAOYSA-N 353.382 2.451 0 40 FEAB COc1ccccc1C(=O)N1CCN(C(=O)COc2ccccc2)CC1 782956 DYOGBCYJUIPTIZ-UHFFFAOYSA-N 354.406 2.059 0 40 FEAB NC(=O)[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 12259376 PHFZUBVVRUUMOR-IBGZPJMESA-N 369.373 2.191 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)CCO3)C2=O 23102342 SDBICOMOXXPROJ-BUXKBTBVSA-N 357.410 2.061 0 40 FEAB O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2ncccn2)CC1 23703308 WDUDBOMGEORXQY-ICSRJNTNSA-N 368.481 2.054 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(C(=O)OC)cc2)C1=O 1161015 GBKLANZOISYIAF-AVMBBCFPSA-N 363.391 2.461 0 40 FEAB CCS(=O)(=O)NCCNC(=O)CCc1ccc(-c2ccccc2F)o1 24788718 JYECWMVQTICIQU-UHFFFAOYSA-N 368.430 2.074 0 40 FEAB COc1ccc(NC(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1394678 UIKQNBAAMQDHOW-UHFFFAOYSA-N 360.435 2.182 0 40 FEAB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccccc1 102702621 QUSWSRUHJWTJCL-KZNAEPCWSA-N 351.381 2.361 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O 25263144 NIBZYWLADMMXGG-YOEHRIQHSA-N 355.438 2.460 0 40 FEAB C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 55731032 YSKAGPJZSFTEIE-CQSZACIVSA-N 362.451 2.134 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 26000152 WQLYFJVOKFOAIG-ZDUSSCGKSA-N 357.410 2.198 0 40 FEAB CCn1c(CNC(=O)CNC(=O)c2ccc(OC)cc2)nc2ccccc21 57995818 UKZNDPJJSJOHFT-UHFFFAOYSA-N 366.421 2.111 0 40 FEAB CC(C)N1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 58250932 JMZFAFUYMHCNIV-UHFFFAOYSA-N 365.499 2.065 0 40 FEAB O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1ccc(-n2cncn2)nc1 58268365 XEMFDNSAVXHQBE-UHFFFAOYSA-N 360.381 2.374 0 40 FEAB O=C(CNC(=O)C1CCCC1)NC[C@@H](O)COc1cccc2ccccc12 58282342 WKAPGBPDZCKKTQ-QGZVFWFLSA-N 370.449 2.002 0 40 FEAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)CCc3ccccc3)CC2)on1 58265774 UOCXVGKFJUXTFM-INIZCTEOSA-N 370.453 2.087 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)cc2)cc1 3217138 SZFFOBTYPKCGGD-UHFFFAOYSA-N 357.406 2.148 0 40 FEAB COc1ccc(N(CC(F)(F)F)C(=O)CSc2n[nH]c(N)n2)cc1 10389152 JVEPAUWVOXIIFY-UHFFFAOYSA-N 361.349 2.083 0 40 FEAB COc1cc2[nH]c3c(=O)n(CCCn4ccnc4)cnc3c2cc1OC 12661679 QEYKTHZYLYGTRG-UHFFFAOYSA-N 353.382 2.182 0 40 FEAB biogenic CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCn1cncn1 23235915 RIMBJPKDYHALNM-UHFFFAOYSA-N 356.213 2.072 0 40 FEAB CNC(=O)NC(=O)CSc1nccn1-c1ccc(Br)cc1 10885662 YAKWGCGBZQCTGY-UHFFFAOYSA-N 369.244 2.183 0 40 FEAB CC(C)Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1 3383602 VBUCXJMMSRVAQH-UHFFFAOYSA-N 366.468 2.496 0 40 FEAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 12749958 NNJXKWBOYPEURW-CYBMUJFWSA-N 362.451 2.371 0 40 FEAB Cc1cccc(NC(=O)CN(C)CCC(=O)NC(=O)NC2CCCC2)c1C 12882999 UKHSBSTYUGDVQP-UHFFFAOYSA-N 374.485 2.332 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccc(Cl)cc1 3490900 ADSUYBLFOCZIFZ-UHFFFAOYSA-N 368.798 2.061 0 40 FEAB O=C(CSc1ncnc2sccc12)Nc1ccc(-n2cnnn2)cc1 8230313 XXUAEELWUKPYGN-UHFFFAOYSA-N 369.435 2.398 0 40 FEAB CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CCN1CCCCC1)C2=O 4239850 TWQFHMCEYSFRAR-GOSISDBHSA-N 372.444 2.104 0 40 FEAB COCc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)cs1 65047721 MYZUXWNNKBPXKJ-UHFFFAOYSA-N 364.807 2.201 0 40 FEAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 6234731 ZLCVHKAISRLKPU-UHFFFAOYSA-N 351.387 2.279 0 40 FEAB COc1cc(C(=O)Nc2ccc(C)c(F)c2)cc(OC)c1OCC(N)=O 14093036 IYCVQVWCEFITJL-UHFFFAOYSA-N 362.357 2.268 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCn2cccc2[C@H]1C 14111107 SGPDMJQSIDPXPU-CYBMUJFWSA-N 356.426 2.470 0 40 FEAB COCCNC(=O)NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 15033772 NZJYVWDJXJZEKM-SFHVURJKSA-N 373.478 2.168 0 40 FEAB Nc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccccc1 67240316 BEMBTQXQFUUYFZ-UHFFFAOYSA-N 370.800 2.405 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)c(OC)c1 8704481 XPVYDVQCBXUAGQ-AWEZNQCLSA-N 363.439 2.126 0 40 FEAB NC(=O)Nc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 93191240 RJDUAMNRZOOXPE-UHFFFAOYSA-N 353.426 2.219 0 40 FEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccs1 19819730 PCJIRNJKZQZXLE-AWEZNQCLSA-N 360.435 2.280 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c2cccnc12 97012913 HIVZAFAJRKKHOV-INIZCTEOSA-N 372.450 2.039 0 40 FEAB CC(C)Cc1ccc(CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 72306667 BOGMZDGYQWEDEV-NRFANRHFSA-N 371.481 2.264 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1ccc(O)c(OC)c1 408730227 GDXBMFKFEPNPLA-OAHLLOKOSA-N 362.407 2.224 0 40 FEAB CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 73665112 GLWQSSXUHNMUAC-QGZVFWFLSA-N 352.500 2.200 0 40 FEAB CCCS(=O)(=O)N1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 306144749 ZNQIDQFCHAQTDH-IBGZPJMESA-N 372.494 2.180 0 40 FEAB O=C1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)c2ccccc2N1 69704495 PNCSHDRTKQLQOH-UHFFFAOYSA-N 371.828 2.332 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c12 11865667 DZZVZQTWJZNCLC-QGZVFWFLSA-N 361.394 2.186 0 40 FEAB biogenic CCOC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1oc(CO)cc(=O)c1O 72324420 ZAKZUVXXZZIYHP-HNNXBMFYSA-N 372.373 2.351 0 40 FEAB biogenic C[C@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 72348167 KJIXZEHJTYWXJD-FQQAFBJJSA-N 360.502 2.216 0 40 FEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(CF)CC1 452608348 XPPBEEISRJWGTH-UHFFFAOYSA-N 354.447 2.293 0 40 FEAB COc1ccccc1OCC(=O)NCc1cccc(CN2CCOCC2)c1 47276336 RHUGIDRVPSJYPT-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(OC(F)F)c1 44451378 FBMINJRPSCGHDV-UHFFFAOYSA-N 360.320 2.422 0 40 FEAB Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)c(C)o1 85467711 PSRWYMVUQWTCJW-MRXNPFEDSA-N 359.401 2.402 0 40 FEAB O[C@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccccc2)CC1 41690288 XFVIVPGPOZQALZ-FQEVSTJZSA-N 374.456 2.404 0 40 FEAB Cc1cccc(Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)c1 98213180 WUKHERAWQZATMW-UHFFFAOYSA-N 366.396 2.197 0 40 FEAB O=C(Cc1ccc(F)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240922 CTYGJZGFRDGFFA-SFHVURJKSA-N 374.456 2.246 0 40 FEAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 96065010 QYXIRPYNGOWEOP-AEFFLSMTSA-N 352.500 2.338 0 40 FEAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96241933 VUEYCFDKABHZJT-MRXNPFEDSA-N 371.481 2.096 0 40 FEAB O=C(NCC(=O)N1CCCc2ccccc21)NC[C@H](O)c1ccccc1F 98119857 LNNGDJIFICQQKN-SFHVURJKSA-N 371.412 2.138 0 40 FEAB COCCN1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96261996 WMIBIRFOEQHLAS-GOSISDBHSA-N 352.500 2.284 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@H]2COCC1CC1 248029868 POWSQCVACBYUJJ-INIZCTEOSA-N 351.468 2.201 0 40 FEAB COc1ccccc1-c1nc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cs1 584908077 QGSCAXPTAZPSQJ-NSHDSACASA-N 362.407 2.134 0 40 FEAB N[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513868 AMKRFJXITVXSSX-SQWLQELKSA-N 351.811 2.062 0 40 FEAB CC(=O)NCc1cnc([C@H]2CN(Cc3cccc4[nH]ccc34)CCO2)[nH]1 257309878 UCTKYPMNJKCJSM-GOSISDBHSA-N 353.426 2.101 0 40 FEAB CCc1nccn1CCC(=O)N1CCC(c2ccnc3ccnn23)CC1 257342108 ZNCWIYAAHFLOON-UHFFFAOYSA-N 352.442 2.285 0 40 FEAB O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(F)cc3)nn12 254709737 AQUYXLYUSDUNAE-UHFFFAOYSA-N 368.349 2.413 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3cncnc3)C2)cn1 257332941 XZKNLBXPRNWKKF-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB COc1ccc(Cl)c(CN2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)c1 1615547556 KVCAMXWULJYELL-ULQDDVLXSA-N 350.846 2.359 0 40 FEAB NC(=O)[C@H](Cc1ccc(F)cc1)SCc1cc(=O)n2ccsc2n1 612600667 WNCZKGBUSCHJCS-ZDUSSCGKSA-N 363.439 2.225 0 40 FEAB Cc1noc(CN2CCCC[C@H](NC(=O)Nc3cscc3C)C2=O)n1 585088662 PTSWBEZHPNXTSI-LBPRGKRZSA-N 363.443 2.451 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@](CO)(Cc2cccc(C)c2)C1 585279378 YNKLJBGFYSOHHK-OAQYLSRUSA-N 355.434 2.450 0 40 FEAB NCC(=O)c1ccc(I)c(F)c1Br 98211114 SSTXCDFFYAXRNT-UHFFFAOYSA-N 357.948 2.334 0 40 FEAB CC(=O)N1CCC(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CC1 39979666 SQVWVCJLPDSICI-NSCUHMNNSA-N 350.802 2.209 0 40 FEAB COc1ccc([C@@H](NC(=O)c2cccnc2)c2nccn2C)cc1OC 12114941 UCQKINAHJKHXQQ-QGZVFWFLSA-N 352.394 2.352 0 40 FEAB Cn1cnc2ccc(NC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)cc21 19714259 MQMYTHAGKMVARK-UHFFFAOYSA-N 363.421 2.335 0 40 FEAB O=C(CN1CCC[C@H](Cn2ccnc2)C1)Nc1ccccc1-n1ccnc1 19717442 NHUUWHHBBYUFCU-KRWDZBQOSA-N 364.453 2.420 0 40 FEAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H](C(=O)O)C2CC2)CC1 635015748 IBOOUUVFZANDAF-CZUORRHYSA-N 356.426 2.278 0 40 FEAB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCO2 1353828 ZFTMKMNHQIUEIQ-UHFFFAOYSA-N 369.406 2.181 0 40 FEAB O=C([C@H]1CN(c2ncc(Cl)cc2Br)CCO1)N1CCCC1 1888910373 SZHWVKDBRUGMEN-GFCCVEGCSA-N 374.666 2.325 0 40 FEAB Cn1c(=O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cccnc21 5303455 SWIQYNDMIJHYRY-UHFFFAOYSA-N 366.396 2.035 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1F 8896319 VWZFQZVLBKDXEW-AWEZNQCLSA-N 358.460 2.477 0 40 FEAB O=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1 9828275 HZELDVFZZQHOMW-UHFFFAOYSA-N 360.391 2.143 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cccc(F)c1 2055739395 UWEJZQVGRUZOCL-CQSZACIVSA-N 357.385 2.241 0 40 FEAB C[C@@H]1CN(c2ncccn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055772366 BYIQWMJJQUVSFQ-SIXWZSSISA-N 353.426 2.274 0 40 FEAB O=C(c1nc[nH]n1)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775971855 VXNXTTBOMSJQCY-UHFFFAOYSA-N 364.409 2.193 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1cccs1 75155944 ARUUTFJLEFNCGJ-INIZCTEOSA-N 350.465 2.432 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 17076055 TZYPACWBDZYELJ-MDZDMXLPSA-N 371.320 2.445 0 40 FEAB CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)[C@@H](c2ccccc2)C1 30029211 LAMPCIXWYRDSLQ-GOSISDBHSA-N 362.433 2.062 0 40 FEAB CC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1ccc(F)cc1 40069980 IPCUSQHWMYACIR-UHFFFAOYSA-N 360.433 2.197 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2)C1 40092075 LPOUNHSKKRSVSD-AWEZNQCLSA-N 358.891 2.408 0 40 FEAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)NCCNC(=O)c1ccccc1F 50111712 FJZPRZFGQWWOKF-GJZGRUSLSA-N 364.465 2.118 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)N1CCN(CC2CCCCC2)CC1 40158561 GEQNBEBOKXYQTM-UHFFFAOYSA-N 357.498 2.070 0 40 FEAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)N1CCCc2ccccc21 30587916 YEKRQPADAUWYDX-UHFFFAOYSA-N 371.462 2.214 0 40 FEAB CCc1[nH]c(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1C(=O)OC 31298985 FOEYSQAIZGPPKD-CQSZACIVSA-N 366.364 2.414 0 40 FEAB CSc1ncc(Cl)c(C(=O)NCc2cccnc2-n2cccn2)n1 31227628 IYMJQZXXEYHBGZ-UHFFFAOYSA-N 360.830 2.363 0 40 FEAB O=C1c2ccccc2C(=O)N1C1(C(=O)NC2(C(=O)O)CCCC2)CCCC1 1719087 GDJTXBOCDAUDSR-UHFFFAOYSA-N 370.405 2.109 0 40 FEAB in-vitro O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(F)cc1 3463924 YNIPWYYJVQSGOZ-IBGZPJMESA-N 353.353 2.158 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3nc4ccccc4[nH]3)c(C)c12 32827093 YJQISTANUOVWPC-UHFFFAOYSA-N 364.409 2.326 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213843 YANRWBSULLZYRN-BOSXTWCSSA-N 368.518 2.353 0 40 FEAB CCN(CC)C(=O)N1CCN([C@H](C)c2nc(-c3ccncc3)no2)CC1 32928717 DJRPFKUQQBBMMA-CQSZACIVSA-N 358.446 2.272 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccn1 32973723 AJGSEWLTPSUFCB-JTQLQIEISA-N 373.887 2.294 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1 9140152 XDXXYDFBLSRBQI-UHFFFAOYSA-N 362.459 2.243 0 40 FEAB COc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)cc1 33039543 REGNXFSDWIQFDE-UHFFFAOYSA-N 352.394 2.002 0 40 FEAB COc1cc(C(=O)NCCCOc2cccc(C)c2)ccc1OCC(N)=O 21436654 NRHYRSJPARBHKJ-UHFFFAOYSA-N 372.421 2.067 0 40 FEAB CCc1[nH]c(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)c1C(=O)OC 22189111 TWJQYIFZIYNXST-UHFFFAOYSA-N 372.425 2.156 0 40 FEAB Cn1cc(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 53410237 VJGNFCIBBVZOKO-CARYKQCGSA-N 370.497 2.244 0 40 FEAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCCO2)c1 23189390 YCPWLVVWMZOWHV-OAHLLOKOSA-N 354.472 2.014 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1csc2ccccc12 47181767 TZEWXQSLHSFYFR-UHFFFAOYSA-N 357.435 2.178 0 40 FEAB O=C(CN1C(=O)CN(c2ccccc2)C1=O)N1CCc2sccc2C1 47170614 DZKVWZQTYXEOJN-UHFFFAOYSA-N 355.419 2.102 0 40 FEAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCC1 1003838 HTUAPMAGSJOKDQ-UHFFFAOYSA-N 367.496 2.084 0 40 FEAB COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 42647084 XUCLTCZEVRDEFV-RDJZCZTQSA-N 358.438 2.210 0 40 FEAB COC(=O)[C@@H]1C[C@H](Oc2ccc(C(=O)OCc3ccccc3)cc2)CN1 42783193 UOCXKUHYCPKFMM-ROUUACIJSA-N 355.390 2.326 0 40 FEAB C[C@H]1CN([C@H](C)CNC(=O)Nc2ccccc2-n2cccn2)C[C@@H](C)O1 106087120 MXNALPVIRXDDAR-OAGGEKHMSA-N 357.458 2.492 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)CN(Cc2ccccc2)C2CC2)C1 25220504 DXEGBYAFQMLDCT-FQEVSTJZSA-N 359.514 2.124 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)C2 107329621 ZBHIICDQBSVTEY-PCMMCCAGSA-N 369.465 2.411 0 40 FEAB C[C@@H](Nc1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc(C(N)=O)cc1 27003956 ZYQJKVYTLLPHQT-GFCCVEGCSA-N 368.393 2.181 0 40 FEAB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N1CCNC1=O 10029908 QHFRLYJFIPVJJB-JTQLQIEISA-N 372.402 2.405 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccnc1-n1cncn1 58186415 OXXPRQFZYFGFMX-UHFFFAOYSA-N 371.784 2.268 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCCOc1ccc(C(F)(F)F)cc1 58208778 XHTVNAGIGPZHOL-NSHDSACASA-N 367.389 2.412 0 40 FEAB CN1CCN(C2(CNC(=O)COc3ccc(F)cc3)CCCCC2)CC1 27742171 GSHQNLZRVGYMDD-UHFFFAOYSA-N 363.477 2.271 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10370977 MHYQCFRMDDKNKD-HIFRSBDPSA-N 353.488 2.315 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12767692 QXEODLRRROKMBZ-CQSZACIVSA-N 352.431 2.015 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CN2CCN(c3ccccc3)CC2)cc1 12787401 XFTSLAKHUOPEIA-UHFFFAOYSA-N 359.495 2.395 0 40 FEAB CCOc1c(Cl)cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 12986250 QWBTZDNRVMAPBZ-NSHDSACASA-N 361.847 2.006 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3nc(C)cs3)CC2=O)c(OC)c1 8217964 JAKYETUVJDJOEC-LLVKDONJSA-N 361.423 2.460 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)s1 13006331 OUFYMRJBHWIRGM-SNVBAGLBSA-N 370.418 2.136 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@H]1CCCO1 4306734 VURVWUUFGNYDDL-MRXNPFEDSA-N 352.456 2.415 0 40 FEAB O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccsc2)CC1 23254150 RICJNZVMRACASB-QGZVFWFLSA-N 350.459 2.445 0 40 FEAB COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCC(N)=O 14244270 APXWKUCHNQQLCP-GFCCVEGCSA-N 358.394 2.059 0 40 FEAB C[C@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1nc2ccccc2c(=O)[nH]1 6553071 OLLUIRQFGVZCOF-VIFPVBQESA-N 366.299 2.443 0 40 FEAB Cc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245603 LSKQWBQASUCCRJ-UHFFFAOYSA-N 361.467 2.168 0 40 FEAB C[C@H](c1ccccc1F)N1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 89909723 RWJAIAVZYAQHBG-BEFAXECRSA-N 371.460 2.043 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccccn3)ccc21 9322777 KHPHYLTZVCIGJX-ZDUSSCGKSA-N 359.451 2.420 0 40 FEAB CCn1c(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 23043463 XICFVLZRTAPFDM-UHFFFAOYSA-N 361.405 2.152 0 40 FEAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(=O)O)cc1 20946150 VPBQVKMFWFZBLQ-HNNXBMFYSA-N 371.397 2.394 0 40 FEAB Cn1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1=O 84368653 JPOMWFIBPKBFBW-QGZVFWFLSA-N 352.390 2.354 0 40 FEAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 95452972 XOFBESJGEXYINV-SJLPKXTDSA-N 362.470 2.263 0 40 FEAB CCC[C@@](C)(NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)O 95969834 VFWNWZKLXFVGMG-QGZVFWFLSA-N 371.455 2.009 0 40 FEAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 79108016 QYPJTWXVTOEDRI-UHFFFAOYSA-N 359.329 2.309 0 40 FEAB Cc1cnc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(O)c1 547978424 MMRGJQZSBLYDRS-UHFFFAOYSA-N 371.412 2.152 0 40 FEAB CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)C(C)C)CC1 35291315 VBSSWRZILQWLAY-SFHVURJKSA-N 358.490 2.065 0 40 FEAB Cc1cccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 408927620 YJQWARYCTLPBSS-UHFFFAOYSA-N 358.529 2.409 0 40 FEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccccc1 31853544 LXBWUMGVJIPBIQ-MOPGFXCFSA-N 371.433 2.279 0 40 FEAB CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 40133694 DOYLSQTVBVLRBH-OAHLLOKOSA-N 360.458 2.157 0 40 FEAB CC(=O)N1CCN(C(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2C)CC1 227151116 OCCBKNTUSBTHJW-UHFFFAOYSA-N 370.453 2.029 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)NCC(C)(C)CN(C)C)CCC2=O)c1 40159682 VZXYHYBRYYCLEX-UHFFFAOYSA-N 358.486 2.490 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)C(C)(C)C 96520195 DFXHIKFYLOSYII-SVRRBLITSA-N 354.637 2.156 0 40 FEAB COc1ccc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)cc1 96062330 QVNNRKCCLKSKGH-OAQYLSRUSA-N 360.498 2.399 0 40 FEAB Cc1nc(COC[C@H]2CN(c3ncccn3)Cc3ncn(C)c32)cs1 96045035 FRXIVGLVEMPSAU-CYBMUJFWSA-N 356.455 2.296 0 40 FEAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)nn1 583615206 STFYNIGRIPNILZ-CHWSQXEVSA-N 359.386 2.087 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CCO3)C2)c1 248011465 JCVKAJUWVIWVAI-MRXNPFEDSA-N 351.468 2.344 0 40 FEAB O=C(c1cc(C2CC2)on1)N1Cc2cncn2[C@@H](COc2ccccn2)C1 247861583 MWBWVKPIVMCIHT-OAHLLOKOSA-N 365.393 2.420 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 257209131 BPEAXZVOMRQZDX-CQSZACIVSA-N 357.458 2.279 0 40 FEAB CC(=O)N1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 257267454 MHKHNSUVUHEHOS-GOSISDBHSA-N 360.483 2.480 0 40 FEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)COC2CCCC2)C3)nc1 253600526 QTDRIZXWLDGBKY-MRXNPFEDSA-N 374.485 2.164 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3c(C)oc4c3CCCC4)CCO2)n1 257281658 OQIXHEQQSFCHQN-INIZCTEOSA-N 357.410 2.485 0 40 FEAB C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 253603375 KJIXZEHJTYWXJD-YRGVVPAESA-N 360.502 2.216 0 40 FEAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 257259276 KXPMZGZIHBSMSJ-QGZVFWFLSA-N 366.465 2.148 0 40 FEAB O=C(O)[C@H]1CN(C(=O)N[C@H](CCc2ccccc2)c2ccccn2)CCO1 635521715 YXAUOUUAWVMOQS-QZTJIDSGSA-N 369.421 2.251 0 40 FEAB CCc1cc(N2CCC3(CC2)NC(=O)[C@@H](CC)O3)nc(-c2ccncc2)n1 1615588404 GJIYBRYFISXWQE-MRXNPFEDSA-N 367.453 2.323 0 40 FEAB Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)o1 585105075 OUHCBUMTPVZTRA-QGZVFWFLSA-N 364.486 2.454 0 40 FEAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2c(C)noc2C)C[C@H]3O)c1 585290587 FRSVSQKXQZIFCS-NSISKUIASA-N 358.438 2.419 0 40 FEAB CC(C)(C)n1nnc(CS(=O)(=O)c2ccccc2Br)n1 585090680 PEZQJWVQMMXGGM-UHFFFAOYSA-N 359.249 2.165 0 40 FEAB Cc1cnc(OC2CCN(C(=O)[C@@H](N)c3ccc(F)cc3F)CC2)nc1 662830974 KOZNBRNSDQFNJX-INIZCTEOSA-N 362.380 2.133 0 40 FEAB Cc1occc1C(=O)NCC(=O)NCCOc1cccc2c1OC(C)(C)C2 52642758 AXKNAHSBXLLLEP-UHFFFAOYSA-N 372.421 2.227 0 40 FEAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@@H]1N2C(=O)c1ccccc1 5669896 JGICJNXMOZOXPZ-HMTNCSJASA-N 367.401 2.365 0 40 FEAB Cc1cc2ccncc2n1CC1(O)CCN(C(=O)c2ccccn2)CC1 12223104 GUOQHWFFPWLZGD-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB COc1cccc(NC(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)c1 12223944 BVJUEIRKIGQNFY-UHFFFAOYSA-N 357.414 2.156 0 40 FEAB COC(=O)C1CCN(C(=O)c2ccc(I)cc2)CC1 13668707 BBZHMIJUWZKTEX-UHFFFAOYSA-N 373.190 2.316 0 40 FEAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)sc2c1 13789833 MRYGPQACSNQGPZ-LLVKDONJSA-N 353.469 2.215 0 40 FEAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 8053635 PVPSSYHPBLSBQQ-HWKANZROSA-N 357.226 2.043 0 40 FEAB O=C1CN(C2CN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)CCN1 1888926465 RBTZCQRSPZQCRR-UHFFFAOYSA-N 369.852 2.263 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncnc(C)c3C)CC2)n1 1889085905 NRSADNHPQPFFHU-UHFFFAOYSA-N 353.474 2.119 0 40 FEAB CC(C)(C)c1ccc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)nn1 1889139174 WBUFFHBVOYSTLZ-UHFFFAOYSA-N 364.457 2.076 0 40 FEAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(Cl)c1 4941303 KGUYYOKQPTVNNA-AWEZNQCLSA-N 352.818 2.471 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)c(OC)c1 9616551 IDHDWADFKBDOGF-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB O=C(COc1ccccc1)Nc1nnc(Cc2ccc3c(c2)OCO3)o1 9701987 NTHAVTUHLDIELG-UHFFFAOYSA-N 353.334 2.407 0 40 FEAB Cc1cccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)c1 2055773094 VRUXMTJUVQJORS-UHFFFAOYSA-N 366.465 2.349 0 40 FEAB CC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 22608514 YZCWLXAKCWCVOV-LJQANCHMSA-N 354.450 2.451 0 40 FEAB CC(C)CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907382 OPLMKCGMGXMPPW-GOSISDBHSA-N 369.465 2.267 0 40 FEAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2CC(=O)OC 100876184 IRICZRSGLNHCQJ-ZCXUNETKSA-N 364.423 2.136 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cs1 40005061 UNURKJCZVAZMRZ-CQSZACIVSA-N 350.465 2.169 0 40 FEAB Cc1ccccc1CC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 40090551 YGYMRMIWSSNEJY-CALCHBBNSA-N 358.482 2.412 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CCO1 50853154 LTOVNICUHVZIAV-GUTXKFCHSA-N 371.462 2.059 0 40 FEAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C)c1 32433219 LHJWRLJMFNGUCZ-UHFFFAOYSA-N 352.843 2.487 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 6679019 JFUHVFHFQICYQU-UHFFFAOYSA-N 365.361 2.162 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)NCCc3ccccc3F)nc2n1 7321650 ZRCRAVTZGXVVRB-UHFFFAOYSA-N 359.430 2.331 0 40 FEAB CCCc1n[nH]c(SCC(=O)Nc2ccccc2N2CCOCC2)n1 32883925 CWHCCQRCQNMZFG-UHFFFAOYSA-N 361.471 2.325 0 40 FEAB CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)c3cccnc3)CC2=O)cc1 83992896 PTXCTEPOQAJYHZ-WMLDXEAASA-N 371.462 2.006 0 40 FEAB CCCc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 11914429 DQGLSROYXHKZPD-UHFFFAOYSA-N 359.386 2.428 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 10666520 CNHORHICQLQPSS-UHFFFAOYSA-N 350.484 2.327 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)/C=C/c1ccccc1 33047651 RZMVMIMWOAZGEU-VAWYXSNFSA-N 355.419 2.356 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)cc1Cl 9926550 XUHCNVTWJDPZEE-CQSZACIVSA-N 350.802 2.077 0 40 FEAB NC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2 2725956 FQIMWRMYUDAEOA-UHFFFAOYSA-N 368.418 2.296 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N1CCCCc3ccccc31)[C@H]1C=C[C@H]2C1 103291095 HDOKGRXOAWKABP-LNMJFAINSA-N 350.418 2.163 0 40 FEAB CCn1ncc(Br)c1C(=O)N(C)Cc1c(C)nn(C)c1C 2777654 QLYGZEBXYROQSZ-UHFFFAOYSA-N 354.252 2.288 0 40 FEAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCCC1 22246206 CSUTTZOMAJOQNG-GOSISDBHSA-N 358.463 2.199 0 40 FEAB COc1cccc(COCC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 46776758 ANESXSGOMLZRGR-IYBDPMFKSA-N 364.486 2.216 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc1 47031414 JGTCIHVSHGVVNN-OAHLLOKOSA-N 366.439 2.038 0 40 FEAB CN(Cc1ccncc1)[C@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 104942369 RMBQWMCUUWQNBX-QGZVFWFLSA-N 357.433 2.271 0 40 FEAB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12409995 MPORTXDOKGHMCC-AWEZNQCLSA-N 369.402 2.191 0 40 FEAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 12420539 BADLPTIVSOZXFB-UHFFFAOYSA-N 354.472 2.013 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)s1 23291045 UZWIQULULJTKNI-UHFFFAOYSA-N 358.872 2.396 0 40 FEAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1 12520986 ZUAXOPHPIJNXRI-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB Cc1nc(CN2CC3(CCN(Cc4ccnn4C)CC3)CC2=O)cs1 108528512 USRNKZWLRALNJV-UHFFFAOYSA-N 359.499 2.200 0 40 FEAB COc1ccccc1CN(C)CC(=O)N1CCN(c2ccccc2)CC1 12543134 ZGQXNPJRPDNGQB-UHFFFAOYSA-N 353.466 2.476 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1 12560167 STLZQHXPHMVPDG-SFHVURJKSA-N 366.396 2.195 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1 56008476 JGVCNNKWAFVFEE-UHFFFAOYSA-N 359.447 2.388 0 40 FEAB Cc1ncc(C[n+]2csc(CCOC(=O)c3ccccc3)c2C)c(N)n1 3209500 GNYVAYJQLIFKQR-UHFFFAOYSA-N 369.470 2.472 0 40 FEAB in-vitro C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20490866 VAEWZCLJMDKHSX-ZIAGYGMSSA-N 356.513 2.407 0 40 FEAB C[C@@H](Sc1nnnn1CCc1cccs1)C(=O)NCc1ccco1 48302073 KILCOMLMRXUFOD-LLVKDONJSA-N 363.468 2.367 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1 12869696 FOGCBVDSBKVCEE-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cc(C)cnc12 12912316 LQLROHVJZGRBDZ-HNNXBMFYSA-N 361.467 2.223 0 40 FEAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCn3ccnc3)ccc12 5207892 NFRVBBOCGFMMQK-AWEZNQCLSA-N 355.394 2.272 0 40 FEAB biogenic C[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccncc1 8747178 RZFHVDGWQGYRJE-LLVKDONJSA-N 362.227 2.451 0 40 FEAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 65513652 IRWHDSMPCUYEBU-CVEARBPZSA-N 359.401 2.382 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c(OC)c1 4675284 LPFAXSHNFIPCQG-INIZCTEOSA-N 367.409 2.490 0 40 FEAB c1ccc(N2CCN(Cc3cccn3CCN3CCOCC3)CC2)cc1 4677170 SLXBZGMDEGKALE-UHFFFAOYSA-N 354.498 2.143 0 40 FEAB O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1cnccn1 6669825 OVDCPJXKJYPHFJ-UHFFFAOYSA-N 353.209 2.333 0 40 FEAB CSc1nc2cc(C)n(CC(=O)NC(C)C)c2c(=O)n1CC(C)C 67320032 YBGRVBXVBCGEQF-UHFFFAOYSA-N 350.488 2.409 0 40 FEAB Cn1c(SCC(=O)NC(=O)Nc2ccccc2)nnc1C(F)(F)F 7817454 XRGFHXNRXVIBNA-UHFFFAOYSA-N 359.333 2.274 0 40 FEAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4ccsc4n3)C(=O)[C@@H]2C)cc1 8038210 SCBWLVVZDMFAGB-LBPRGKRZSA-N 368.418 2.422 0 40 FEAB C[C@@H](NCCOc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 16695442 STOYTLOLEISKSW-CYBMUJFWSA-N 360.385 2.228 0 40 FEAB Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 9304693 PUZJWNYZGALCIS-UHFFFAOYSA-N 356.353 2.411 0 40 FEAB COCCN1C(=O)c2ccc(C(=O)COC(=O)c3cccs3)cc2C1=O 31904077 UNEYMCJWVAWOGP-UHFFFAOYSA-N 373.386 2.030 0 40 FEAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)on1 22245902 SDAIJIIILAXVFO-UHFFFAOYSA-N 373.837 2.282 0 40 FEAB O=C(NCc1cn2ccccc2n1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 127970710 OGQJLVLTOAQTRO-MAUKXSAKSA-N 353.470 2.493 0 40 FEAB CCn1cncc1-c1nc2c([nH]1)C[C@@H](c1cccc(OC)c1)CNC2=O 65507240 IOZASOOCZHMHQE-CYBMUJFWSA-N 351.410 2.371 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 408614566 DSSZSHFCZOFAEV-CQSZACIVSA-N 351.406 2.346 0 40 FEAB Cc1ccc2ncc(C(=O)N3CCCC[C@H]3c3cnn(C)c3)c(=O)n2c1 548343459 KCUOXCQZHAJIGX-INIZCTEOSA-N 351.410 2.104 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 68561862 GZVHHTJNFKBYDQ-ZWKOTPCHSA-N 365.462 2.232 0 40 FEAB CC(C)c1cc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)on1 78725762 VUXZSASNXBGNHA-UHFFFAOYSA-N 363.439 2.050 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1cccc2ccccc12 70636194 YNKUOPPGWVEBNL-KRWDZBQOSA-N 354.431 2.367 0 40 FEAB O=C(NCCCN1CCOCC1)c1ccc(OCc2cccnc2)cc1 48332848 SQUFYOVFWHMOTH-UHFFFAOYSA-N 355.438 2.113 0 40 FEAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 222774706 FMZQJOUUUABFTQ-IAGOWNOFSA-N 367.482 2.395 0 40 FEAB COCc1nn2c(=O)cc(COC(=O)c3cccc(Cl)c3)nc2s1 41077306 YNCZKXIISCXUTD-UHFFFAOYSA-N 365.798 2.308 0 40 FEAB CCOCCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224396420 DETQYLHNOAGBFP-UHFFFAOYSA-N 354.472 2.081 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 40074778 FMFXHQLULFPTPD-UHFFFAOYSA-N 355.419 2.306 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccccc1Cl 224203813 NNRHTRFYQCSPED-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(CC3CCOCC3)C[C@H]21 96043369 ZHZBEKKNUVNONO-CEXWTWQISA-N 359.470 2.174 0 40 FEAB CC(C)c1cc(C(=O)NCCc2ccccc2)nc(N2CCOCC2)n1 96100992 QQDNOFUSVPSIJB-UHFFFAOYSA-N 354.454 2.409 0 40 FEAB COc1ccc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4=O)CCO3)C2)cc1 96216259 IFWGVZZUYIKYET-OXQOHEQNSA-N 358.438 2.081 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccncc3)c(Br)cc21 95471612 BPBDFGAMRBROIK-UHFFFAOYSA-N 361.199 2.287 0 40 FEAB Cc1ccnc(O)c1C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 583622078 KGLAQNRLNBFXED-CQSZACIVSA-N 360.414 2.500 0 40 FEAB COc1ccc(CN(C)[C@H]2[C@H](N)CC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 257212418 CDHWAZCXQUPHDF-CGXNFDGLSA-N 356.466 2.425 0 40 FEAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 257288394 PUANWTVOCBTMBH-KRWDZBQOSA-N 365.441 2.286 0 40 FEAB Cn1cnc2c1CCN(C(=O)c1ccc(CNC(=O)C3CCCC3)cc1)C2 590022385 JHPRQXHZYDTQOM-UHFFFAOYSA-N 366.465 2.425 0 40 FEAB CC(C)(NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1 604854948 MLZZWIWRRMGXHS-UHFFFAOYSA-N 370.482 2.454 0 40 FEAB COC(=O)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 599112650 ZOZNEKCBYJNMGI-YRGRVCCFSA-N 357.328 2.190 0 40 FEAB CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)cc1 96119129 OVLDWZVDDWCFFW-UHFFFAOYSA-N 366.377 2.481 0 40 FEAB CC(C)C[C@H](O)C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111416 SUMHRPVOOVDJFM-ZWKOTPCHSA-N 357.454 2.068 0 40 FEAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)cc1 585101236 PNUYRQWMWHSXEO-UHFFFAOYSA-N 369.465 2.344 0 40 FEAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)CCc2cccc(Cl)c2)C1 585279804 YQAPSBXFQBCOEE-SFHVURJKSA-N 352.862 2.152 0 40 FEAB Cc1ccn(C)c(=O)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 75108284 HFYRCCFNZZCYED-UHFFFAOYSA-N 362.329 2.393 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)on1 1615189981 BMVLKMIPBMVYIT-FQEVSTJZSA-N 358.438 2.319 0 40 FEAB O=C1CCCN1CCCN1Cc2cc3cc4c(cc3nc2OC1=O)OCO4 12236829 JRXDLZHBYOETHY-UHFFFAOYSA-N 369.377 2.290 0 40 FEAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)C3CC3)C1)CN(C(C)=O)C2 12365448 ZPKSXLJCTFNCPB-HXUWFJFHSA-N 358.438 2.207 0 40 FEAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2c1C(=O)CC(C)(C)C2 16740211 GFZONBXKZBZKEE-UHFFFAOYSA-N 368.437 2.496 0 40 FEAB O=C(Cc1ccsc1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 19406003 FXPPRQZSIQEXEU-HNNXBMFYSA-N 354.439 2.030 0 40 FEAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 19717181 ZSRCRXGELUIJPE-ZDUSSCGKSA-N 362.861 2.191 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 205738817 UGKMGSSFLIUMRP-MDWZMJQESA-N 351.380 2.390 0 40 FEAB CSc1ncccc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791117 LFVSVYQQEONVQQ-UHFFFAOYSA-N 369.494 2.435 0 40 FEAB COc1ncccc1NS(=O)(=O)c1cc(N2CCCC2=O)ccc1C 12147761 IPAQHSHJXNNZIJ-UHFFFAOYSA-N 361.423 2.326 0 40 FEAB C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](O)C[C@H]1[C@@]2(C)CCC[C@@]1(C)CO 253388331 LLKIVVHUJOPYIV-YDEWFIFOSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro CC(C)CNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 4524558 WQPGNEKGDLIBAN-UHFFFAOYSA-N 371.437 2.052 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)ccc1F 7054677 BJMJXDGZKDYRFF-UHFFFAOYSA-N 367.354 2.486 0 40 FEAB Cc1nccn1CC1CN(c2nc3c(S(C)(=O)=O)cccc3s2)C1 1889149265 MKSNEBFGQNWFKZ-UHFFFAOYSA-N 362.480 2.341 0 40 FEAB COc1cc2ncnc(N(C)C3CN(c4ccccn4)C3)c2cc1OC 1889191898 XXGCXBQUBMLUIA-UHFFFAOYSA-N 351.410 2.367 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(Cc4noc(C)n4)CC3)cnc2c1 1849325018 RVTHZDXRCNZZAM-UHFFFAOYSA-N 369.425 2.009 0 40 FEAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)C2=CC=NC(=O)C2)C3)cc1 2056224643 NKMPAXCPOFZARU-OAHLLOKOSA-N 371.462 2.121 0 40 FEAB COCCN1CC[C@]2(CCCN(C(=O)c3cccc(Cl)n3)CC2)C1=O 1614940470 NFXSSQFJXJGORY-GOSISDBHSA-N 365.861 2.226 0 40 FEAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)C3CC(F)C3)CC2)C1 1565542236 KYTKUMAEUBNITI-ABHNRTSZSA-N 361.461 2.412 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)CC4(O)CCC4)C[C@H]32)CC1 1565551201 AZTCVXLQJLXAOK-WBVHZDCISA-N 370.497 2.116 0 40 FEAB O=C(CCc1cncnc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 1565548815 KFZZZNYFEKFWDT-ROUUACIJSA-N 354.429 2.139 0 40 FEAB COc1ccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 8924585 OTYVGPBBVRPWKG-CQSZACIVSA-N 354.406 2.487 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 13596991 AIQKJISKRJLLIM-NSHDSACASA-N 355.441 2.084 0 40 FEAB COc1ccc(C(=O)NCCCn2nc(-c3ccco3)ccc2=O)cc1 13797414 BNNWWUYREPGOAC-UHFFFAOYSA-N 353.378 2.332 0 40 FEAB Cc1ccccc1CN1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055747166 MJMXDHMJGYGPIG-UHFFFAOYSA-N 355.486 2.263 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccccc1F 2055739378 TWJPCXWZNHGKIT-LBPRGKRZSA-N 357.385 2.337 0 40 FEAB O=S(=O)(Cc1ccccc1)NC[C@H](c1ccsc1)N1CCOCC1 22767405 XQIZITICKSJNDW-QGZVFWFLSA-N 366.508 2.241 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(C)ncc23)c1 33300885 CSPKVUNTPKISHA-UHFFFAOYSA-N 371.422 2.476 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(-n3cccn3)nc2)cc1OC 42658138 JZYMUNQMZQWNIT-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB O=C(OC1CCOCC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 585395923 SGCALERUDQIZGA-MRXNPFEDSA-N 353.440 2.164 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12 4517759 BYZOFRLYHSMDKQ-UHFFFAOYSA-N 358.375 2.188 0 40 FEAB CN(C)C(=O)N1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 31504663 YWCNTNGNOXVBKM-UHFFFAOYSA-N 372.494 2.102 0 40 FEAB Nc1nccnc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 31892363 IULKHGLUJPOUBI-CYBMUJFWSA-N 363.824 2.418 0 40 FEAB CC(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1 1371411 MBHYKBCUKBYTDB-UHFFFAOYSA-N 351.457 2.293 0 40 FEAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc(F)c2)cc1 4190184 FWFSULWDPCRTLJ-VWLOTQADSA-N 364.398 2.160 0 40 FEAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 6301251 GSNBILRWAHIEHW-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(F)cc1 7985590 QBVRMSCVGXXYFA-UHFFFAOYSA-N 373.380 2.420 0 40 FEAB CC(C)CNC(=O)NC(=O)CNc1cccc(Cl)c1N1CCOCC1 32770395 CNXJPGFRUFPUPU-UHFFFAOYSA-N 368.865 2.070 0 40 FEAB O=C(NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1cccs1 32898939 RTZWOBFUGVSIGW-UHFFFAOYSA-N 372.446 2.305 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(OC)c1 2686625 ZLGBCBUQVVECBQ-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB aggregator Cc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102082064 YONVZRPTOMXTJX-RFHIVJSQSA-N 350.418 2.375 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCCC[C@H]1C(F)(F)F 23191351 BMHVSSFOEQGUKW-ZIAGYGMSSA-N 353.348 2.442 0 40 FEAB CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@@H](C(=O)O)CC2=O)CC1 57328069 OGIBCCFIJGKECM-OCCSQVGLSA-N 364.829 2.156 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4snnc4C)C3)cc2n1 100138144 KEGKWUTXKQLVPP-LLVKDONJSA-N 372.454 2.177 0 40 FEAB CCc1nnsc1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F 57816744 NMRGCFDEXPQSFU-UHFFFAOYSA-N 354.382 2.480 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2nc(-c3ccccn3)no2)n1 44653232 HLXJSSOAQNIOTG-ZDUSSCGKSA-N 368.441 2.330 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1F 58198190 UBSITTQTXSLTOW-UHFFFAOYSA-N 374.391 2.435 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)NCCc1cc(F)cc(F)c1 58193493 RZZWTXQDICFPKI-UHFFFAOYSA-N 360.360 2.439 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3ccccc3F)c(=O)n2)cc1 44804173 AHXUNFYQNCRHIG-UHFFFAOYSA-N 354.341 2.092 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2146291 ADXMEDXXZXKINF-NHAYFPRASA-N 357.406 2.181 0 40 FEAB biogenic COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)N1CCCC1)CC3 36370070 BMLGHBBACQZINM-UHFFFAOYSA-N 355.438 2.464 0 40 FEAB biogenic CCOC(=O)[C@@](NC(=O)CC)(Nc1cccnc1Cl)C(F)(F)F 2325764 HOQZYFZFIPPABI-LBPRGKRZSA-N 353.728 2.495 0 40 FEAB COc1cc(CC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 3311864 YHJSZVKKHKFZIR-UHFFFAOYSA-N 356.378 2.240 0 40 FEAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N[C@H]1CCCc2ccccc21 3312439 WTXUVCIMQCRADN-ZNBBLSJYSA-N 374.462 2.160 0 40 FEAB O=C(COCCOc1ccccc1)NCCNc1ncnc2sccc12 48290817 VCCHYAPGELRPAX-UHFFFAOYSA-N 372.450 2.315 0 40 FEAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 48260499 NLXJPMACXAHMLG-DLBZAZTESA-N 357.385 2.135 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCC1=CCCCC1 3594635 MRASMHIPCJUNKX-NRFANRHFSA-N 367.449 2.387 0 40 FEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3ccno3)cs2)C1 49548695 VEJBUGDCJUOSQU-NSHDSACASA-N 370.452 2.367 0 40 FEAB O=C1CC[C@H](C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)N1 64312756 QBDNSAUNILTJOF-CYBMUJFWSA-N 362.227 2.094 0 40 FEAB COC(=O)c1cc(CNC(=O)Cc2ccc(NC(C)=O)cc2)ccc1OC 18069495 QERLJJZITOCDMC-UHFFFAOYSA-N 370.405 2.299 0 40 FEAB CC(C)(C)C(=O)N1CCC(C(=O)NCc2ccc(-n3cccn3)nc2)CC1 39549046 ANIFZRYLMMGEAT-UHFFFAOYSA-N 369.469 2.168 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2ccc3ccccc3n2)C1=O 18186513 UNHQKSJNLMZTNT-KRWDZBQOSA-N 358.423 2.079 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)n1nnc2ccccc2c1=O 5267790 QFPCWZWZLVEDIR-HNNXBMFYSA-N 368.393 2.399 0 40 FEAB CCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 5273297 BBEVBAVPBMVLDF-UHFFFAOYSA-N 362.451 2.177 0 40 FEAB Nc1nccnc1C(=O)OCC(=O)Nc1ccccc1SC(F)F 14060139 OACPSBNOEFJRNW-UHFFFAOYSA-N 354.338 2.169 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 14125319 GWGWRLRIDUIUAX-UHFFFAOYSA-N 351.406 2.116 0 40 FEAB CCN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4504974 HQGXGPLMVNPEJV-OAHLLOKOSA-N 353.484 2.399 0 40 FEAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3CCCCC[C@@H]32)C1=O 5426997 NRAHLKOHGLFPCR-CQSZACIVSA-N 359.401 2.168 0 40 FEAB CN(C)C(=O)[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1 5505439 VABBKMONZVPCHW-HNNXBMFYSA-N 355.423 2.290 0 40 FEAB Cc1ccc(OCCOC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1 5561758 ILNZJPVJCQLIGU-UHFFFAOYSA-N 369.425 2.187 0 40 FEAB C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829825 NTFMQIYKSGMMQK-LBPRGKRZSA-N 368.437 2.175 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCCCCC1 4938334 KLVVMIOSAZSFIL-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB COc1ccccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858549 CFQMHRURJASPOQ-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)cc1 7921494 BSFZPHZRTJGKHA-LLVKDONJSA-N 351.396 2.147 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)oc2c(C)c(O)ccc12 9531182 VGJRXSNFVOXFSD-ZDUSSCGKSA-N 373.405 2.371 0 40 FEAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nnc(CC)s2)c1C 83834382 ZVVWWCHMMNFXQZ-UHFFFAOYSA-N 358.445 2.023 0 40 FEAB Cn1cc(-c2nc(C(=O)N[C@H](CC(=O)O)c3ccccc3)cs2)cn1 95356863 BPVTXVGFKSHHQS-CYBMUJFWSA-N 356.407 2.489 0 40 FEAB C[C@H](NCCNC(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 75094262 NMJXZMZLPRGMEP-GHTZIAJQSA-N 367.493 2.468 0 40 FEAB Cc1cccc(OC[C@H](O)CNC(=O)c2cc(-c3ccccn3)no2)c1 75092768 XARSESPHFBQDKZ-CQSZACIVSA-N 353.378 2.215 0 40 FEAB Cn1nc(-c2ccccc2)cc1C(=O)NCCCc1nnc2ccccn12 79482289 KVPXZVQKDKJTJH-UHFFFAOYSA-N 360.421 2.492 0 40 FEAB CCOC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 409057507 PJOVPFWVSQVINQ-ZUMXRPEOSA-N 361.781 2.350 0 40 FEAB COCCN1CC[C@]2(CN(CC3CC3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306124970 CDMGYGXZHAUYNB-FXAWDEMLSA-N 360.502 2.138 0 40 FEAB CCc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1 36071071 ATZAXLBIRTWDDO-IBGZPJMESA-N 370.474 2.379 0 40 FEAB O=C(NCCc1ccc(OC(F)F)cc1)N1CCc2nnc(O)cc2C1 548508922 HJDGIKHVIRCIFZ-UHFFFAOYSA-N 364.352 2.094 0 40 FEAB Cc1nc(C)c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)o1 72340748 ZCABCRNGYPAEFW-UHFFFAOYSA-N 362.393 2.369 0 40 FEAB COc1ccc(CCNC(=O)c2cn(-c3ccc(F)cc3)nn2)cc1OC 38652802 KLAKDDLPJRDGIA-UHFFFAOYSA-N 370.384 2.396 0 40 FEAB O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NCc2cccs2)o1 35597470 BQUYXRYURSYDCV-UHFFFAOYSA-N 363.420 2.467 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)NC[C@@H]1COc2ccccc2O1 31040854 CBVIVKDJAAEQOO-GFCCVEGCSA-N 360.797 2.026 0 40 FEAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1-c1ccn[nH]1 40398041 LEGOQQGRPVLPKF-UHFFFAOYSA-N 363.768 2.472 0 40 FEAB Cc1ccc(CN(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 222879149 XFAWXYUKLNDIJR-UHFFFAOYSA-N 372.556 2.405 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1 222640857 FWBHJANQSSOTOZ-UHFFFAOYSA-N 362.383 2.212 0 40 FEAB COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1 96206588 QFDAJERANCJLQC-PKOBYXMFSA-N 350.434 2.102 0 40 FEAB O=C(O)c1cc(I)c(-c2ccc(F)cc2)[nH]c1=O 96517593 FICYOLPTORMHRE-UHFFFAOYSA-N 359.094 2.484 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96046907 MUSXEZAVOOHRMQ-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB O=C1NC2(CCN(C(=O)c3cccc(F)c3)CC2)C[C@H]1c1cccnc1 96199472 ZHOOQLITVMOXCQ-KRWDZBQOSA-N 353.397 2.499 0 40 FEAB Cn1cccc1CN1CCC2(CCN(C(=O)Cc3cccnc3)CC2)C1 96157661 PJJRZKNZGMJRIL-UHFFFAOYSA-N 352.482 2.477 0 40 FEAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379902 OHEYYUJZPXPOOX-ZFHCCXERSA-N 355.442 2.371 0 40 FEAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1ccc(F)cc1)C2)N1CCCC1 247725319 CGVFYTRBLKNIIV-GOSISDBHSA-N 362.445 2.198 0 40 FEAB Cc1nonc1CC(=O)N1CCC[C@H]1c1cncc(-c2c(C)noc2C)n1 257262187 LKMHQAAQBOIMAS-INIZCTEOSA-N 368.397 2.346 0 40 FEAB CCc1cc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)on1 257303776 SIRHJCKNTIYMLX-INIZCTEOSA-N 358.442 2.172 0 40 FEAB Cc1ncc(CNC(=O)c2ccc3[nH]cnc3c2)c([C@@H]2CCCN2C)n1 257243102 IFMDZLWZGKFGPD-KRWDZBQOSA-N 350.426 2.358 0 40 FEAB COc1ncc(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1Cl 629268115 GMDLGGORUNBWTF-IINYFYTJSA-N 350.806 2.364 0 40 FEAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2cccc(Cl)c2)c2cccc(O)c2)C1 575420132 GDPYBRDYOYOHAB-IRXDYDNUSA-N 367.854 2.210 0 40 FEAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)Cc1ccccc1)CC2 585110984 OINXYDAHVOPGDQ-UHFFFAOYSA-N 351.450 2.255 0 40 FEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccco1 104897133 PAUJLJPNNUGWFP-QZTJIDSGSA-N 367.449 2.275 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C 5001444 KWVPCEYTUUHIGH-KKUMJFAQSA-N 365.547 2.411 0 40 FEAB CCNC(=O)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 5944182 HSLSWCFSRKPZAP-UHFFFAOYSA-N 369.834 2.072 0 40 FEAB Cc1cc(C)n2ncc(C(=O)N3C[C@H]4CCc5cnc(C)nc5[C@H]4C3)c2n1 12120158 SUDGNWXSBNGGIM-WBVHZDCISA-N 362.437 2.247 0 40 FEAB Cc1cc2ccncc2n1CC1(O)CCN(C(=O)c2cccnc2)CC1 12223105 WOCPDSBBNIJMSS-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C 15624009 NFWJXXNGASMAFV-ZDUSSCGKSA-N 369.377 2.261 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC12CC3CC(CC(C3)C1)C2 16022552 XGKRLVDKUCVFGI-VELPYVPJSA-N 356.466 2.413 0 40 FEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC2)cc1 16061619 RFJQGZKQKCCXLX-UHFFFAOYSA-N 360.435 2.366 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)cn1 19214888 CMINMIPNZDAJFL-HXUWFJFHSA-N 351.406 2.187 0 40 FEAB COc1cccc(OC)c1C(=O)NCc1nnc(-c2scnc2C)o1 19563264 XNIRUZMXARYEGV-UHFFFAOYSA-N 360.395 2.449 0 40 FEAB Cc1nc(C2CCN(C(=O)c3ccc(N)nc3)CC2)nc2c1CCCN2C 19705731 UDUHMJCUYRTNOA-UHFFFAOYSA-N 366.469 2.164 0 40 FEAB C[C@H](c1cc(=O)[nH]c(NCc2cccnc2)n1)n1ncc2ccccc2c1=O 19717499 SELXXVMDSXHORL-CYBMUJFWSA-N 374.404 2.096 0 40 FEAB COc1ccc(N[C@@H]2CC(=O)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 101275020 PMOUQBPKYNEBHF-OAHLLOKOSA-N 354.362 2.446 0 40 FEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C2)nn1 1888849386 GTALCRRNNHFLMX-CYBMUJFWSA-N 356.426 2.416 0 40 FEAB COCCn1cnc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1888908456 YQJGKXFLEAENRT-UHFFFAOYSA-N 372.860 2.453 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29837524 YFSQRUYTLKPHSG-MDZDMXLPSA-N 374.444 2.052 0 40 FEAB Cn1ncc2c(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)ncnc21 1775995330 OKKHQTXEZOUUMD-UHFFFAOYSA-N 367.457 2.059 0 40 FEAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 9660973 SPZWHIUFFPLLHQ-UHFFFAOYSA-N 369.446 2.197 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)/C=C/c2cccs2)C[C@H]2OCC[C@H]21 2055747114 JNQJYXFHTIGSNH-VONWQNJBSA-N 360.479 2.151 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)no1 1775979019 XUVZNOZOTJSHLR-AWEZNQCLSA-N 371.418 2.500 0 40 FEAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cccs1)CSC2 23138790 CCCARENDICXIJL-UHFFFAOYSA-N 350.469 2.470 0 40 FEAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccsc1 38673320 OPPCCHRXNFXNQC-MRXNPFEDSA-N 366.508 2.331 0 40 FEAB CN(CCOc1ccccc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 40007629 RDGKUYBFRINHEF-UHFFFAOYSA-N 374.462 2.378 0 40 FEAB O=c1[nH]ccn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 40152674 KKEDJMOMNILROX-UHFFFAOYSA-N 355.419 2.455 0 40 FEAB O=C(NCCN1CCCCCC1)c1nc(N2CCCC2)ncc1Cl 40141974 BSSKHYHYRLUBCY-UHFFFAOYSA-N 351.882 2.336 0 40 FEAB COc1ccccc1N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 8025632 XRIMEDRNIOIZEK-UHFFFAOYSA-N 369.421 2.456 0 40 FEAB CCN(CC)CCOC(=O)c1ccc(N[C@@H](CO)CN(CC)CC)cc1 4523099 JCEUOAUCYNYHNW-LJQANCHMSA-N 365.518 2.300 0 40 FEAB CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 4965093 DPHVGZQTXORXAV-UHFFFAOYSA-N 374.846 2.016 0 40 FEAB C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 4984968 DBKIYMMKUVZIGI-RHSMWYFYSA-N 355.438 2.039 0 40 FEAB O=C(NCCc1cccs1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986730 MPKHZKXUMNPYQN-GOEBONIOSA-N 359.451 2.074 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 6938060 WQWUTBVHHQJBTG-UHFFFAOYSA-N 356.806 2.099 0 40 FEAB Cc1c(C(=O)NC2=NCCS2)sc2nc3n(c(=O)c12)CCCCC3 2647966 KGZWUXSSVVCHPP-UHFFFAOYSA-N 362.480 2.325 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 32904741 TUDVCPTWFZKOMW-CQSZACIVSA-N 374.462 2.203 0 40 FEAB O=C(CCN1CCOCC1)OC1C[C@@H]2CC[C@@H](C1)N2CCc1ccccc1 100923364 FLPWWDUXBVQDEG-PMACEKPBSA-N 372.509 2.490 0 40 FEAB O=C(COc1ccc(Oc2ccccn2)cc1)NCCCN1CCOCC1 23195568 IYPYRDUNEKHLHA-UHFFFAOYSA-N 371.437 2.091 0 40 FEAB NC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc2c1CCCC2 948458 MGMPBTPIBJLEOA-UHFFFAOYSA-N 361.448 2.287 0 40 FEAB COCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1 2809713 SELPXRKYJDKKLL-UHFFFAOYSA-N 373.434 2.443 0 40 FEAB Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23561584 LXROLNUXAURRDK-GOSISDBHSA-N 361.417 2.163 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C(C)=O)cc1 105649630 PZYFUZKIWURMEQ-PVAVHDDUSA-N 365.451 2.384 0 40 FEAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(N2CCCC2=O)c1 43283017 VVSTZQDXDILRSY-KRWDZBQOSA-N 354.410 2.441 0 40 FEAB Cc1cc(O)n2nc(C3CCN(C(=O)CCn4nccc4C)CC3)cc2n1 100137435 DBVBJTOJHWNTRT-UHFFFAOYSA-N 368.441 2.045 0 40 FEAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 55828728 DGELIKMIVFEPBV-GFCCVEGCSA-N 352.481 2.418 0 40 FEAB COc1ccc(CN(Cc2cc(C)on2)[C@@H]2CCS(=O)(=O)C2)cc1 27652402 JWBZNQRRLKWRDC-MRXNPFEDSA-N 350.440 2.181 0 40 FEAB O=C(COc1ccccc1)N1CCCN(c2ccc3nccnc3n2)CC1 58289507 WNWWPDFUQFDGML-UHFFFAOYSA-N 363.421 2.143 0 40 FEAB O=C(CCNc1ncccn1)NC[C@H](O)c1ccccc1C(F)(F)F 58209879 ODZSCEKTSXVFRR-ZDUSSCGKSA-N 354.332 2.147 0 40 FEAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 10465036 IHCCTNMUQJUVIW-CYBMUJFWSA-N 351.834 2.443 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(-n2cnnn2)cc1 10446649 SXQHFACQKONZTG-UHFFFAOYSA-N 371.784 2.268 0 40 FEAB COc1cc2c(cc1OC)CN(Cc1cc(=O)n3ccsc3n1)CC2 3380169 GGBKHSAPHCGBGD-UHFFFAOYSA-N 357.435 2.332 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccccc2F)CC1 25314223 DDQDYKGBABRXDV-UHFFFAOYSA-N 358.461 2.453 0 40 FEAB C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)Nc1sccc1C(N)=O 12910018 AZVRJKVEUMXKJX-ZETCQYMHSA-N 368.798 2.390 0 40 FEAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NC1CC1 13569629 QHTFZIZXIGMBFO-CYBMUJFWSA-N 362.455 2.205 0 40 FEAB CC(C)=C[C@@H]1[C@@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1(C)C 39559031 LOOSFZRTJGOVFK-WBMJQRKESA-N 356.426 2.149 0 40 FEAB CC(C)Nc1nn(CN2CCN(c3ncccn3)CC2)c(=S)s1 14086633 CLZHZCYPARWLEA-UHFFFAOYSA-N 351.505 2.064 0 40 FEAB C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14076397 SDFLDVXLJLYPBW-GJZGRUSLSA-N 365.499 2.379 0 40 FEAB C[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2 14138390 MWDUYZONXDWBQP-NSHDSACASA-N 371.422 2.050 0 40 FEAB CCCCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 69818614 CLCRAXGPDDGANW-AWEZNQCLSA-N 368.503 2.118 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6525479 VOZRRPISIXYRAI-GOEBONIOSA-N 371.437 2.408 0 40 FEAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCNC(=O)C3)cccc2c1=O 6508898 MGYGKCDJUZGHRZ-UHFFFAOYSA-N 362.385 2.340 0 40 FEAB Cc1ccc2nc(N3CCOCC3)c(/C=C3\N=C(S)NC3=O)cc2c1 18117474 CSCUBJHBBZTTCY-GDNBJRDFSA-N 354.435 2.136 0 40 FEAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCO)cc1 408678748 UYXHAWQMDYJRID-UHFFFAOYSA-N 352.390 2.296 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCCc2ccccc21 7001118 PIVZDFVPJRXAOB-MRXNPFEDSA-N 352.390 2.339 0 40 FEAB COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 67334634 MANDCJRMAYELEQ-UHFFFAOYSA-N 359.407 2.179 0 40 FEAB O=C(COC(=O)C1(c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 7490410 SUBMJSHSPHYPMG-UHFFFAOYSA-N 353.374 2.307 0 40 FEAB Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)COc2ccc3c(c2)OCO3)o1 67975934 IJUMLMFZYHBGPX-CQSZACIVSA-N 371.393 2.236 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cccs2)c1C 7728275 CNNGCJNJJDCTSO-UHFFFAOYSA-N 374.509 2.416 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)Cc2ccc(NC(C)=O)cc2)cc1 7848536 QCYBFNGDRPRUHR-UHFFFAOYSA-N 353.422 2.206 0 40 FEAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9089889 DHXJRLTWFHHSGX-HXUWFJFHSA-N 351.406 2.305 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nn1cnc2ccccc21 89878687 HCTAOXAYZKIKDQ-UHFFFAOYSA-N 369.446 2.459 0 40 FEAB Cc1c(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)oc2c1C(=O)CCC2 84067687 UYOYXPGMLGOWDK-GFCCVEGCSA-N 364.467 2.394 0 40 FEAB O=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)c1ccccc1Cl 9357814 KABVTWAMKISATO-UHFFFAOYSA-N 357.679 2.342 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(=O)NCC[C@@H](O)C(F)(F)F)C(C)C)cc1 72288852 MXVFVAQVVWHHLK-ZIAGYGMSSA-N 360.376 2.179 0 40 FEAB CCCCCNC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 9594876 ZOJFRWFJNJADPT-HXUWFJFHSA-N 357.454 2.467 0 40 FEAB COc1ccc(OCC(=O)NCCc2nc(-c3ccccc3)no2)cc1 9531089 ZQJKBMSNNKYDQQ-UHFFFAOYSA-N 353.378 2.483 0 40 FEAB CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1 83864264 ITOCVVXRJYVIHQ-UHFFFAOYSA-N 367.449 2.245 0 40 FEAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)N2CCCC2)C3)n1 306134821 NYZUVRJKYWQVQL-MRXNPFEDSA-N 360.458 2.251 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)n2cccc2)cc1 84773996 AGSWFWXFJCQLQO-OAHLLOKOSA-N 363.483 2.396 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc2nsnc2c1 95456810 MBGSKCRVULOICI-LBPRGKRZSA-N 359.436 2.391 0 40 FEAB CN(C)[C@@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 95408053 QECIBAMOIHSKIB-LSDHHAIUSA-N 367.440 2.464 0 40 FEAB C[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 95462083 UJEGDSWZGQGJCN-RHSMWYFYSA-N 356.463 2.013 0 40 FEAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 84808033 STGDUROTQRJVFG-KRWDZBQOSA-N 368.389 2.456 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cn1cccn1 95998447 VZDPUNYTYDTDLP-SFHVURJKSA-N 365.437 2.286 0 40 FEAB Cc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(-n2cnnn2)c1C 79193957 UEDDFTISKWITJA-FUHWJXTLSA-N 368.485 2.273 0 40 FEAB biogenic CC(C)(C)OC(=O)N1CCN(Cc2cnc(Cl)s2)[C@H](C(=O)O)C1 72203757 IHUVORYVZKTCEN-JTQLQIEISA-N 361.851 2.302 0 40 FEAB O=C(NCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1F 36365512 BTYBIJJZRLELML-UHFFFAOYSA-N 371.412 2.484 0 40 FEAB COc1cc(C)nc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)c1 548010366 AKPYAYHMHBWCMA-SFHVURJKSA-N 360.483 2.401 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 2139584 KJWMKTDSEUUPGO-UHFFFAOYSA-N 363.373 2.005 0 40 FEAB biogenic O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccccc2)CC1 79491003 IJRUAKGKQULYED-UHFFFAOYSA-N 368.485 2.363 0 40 FEAB CC(=O)N1CCC[C@]1(CCCc1cccc(Br)n1)C(N)=O 72350896 URWQMAUOQBMGQR-OAHLLOKOSA-N 354.248 2.033 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(C)=O)cc1 226401302 FVFJOIYTKDVNGT-VWQYPGANSA-N 366.417 2.059 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CCCNc1ncccn1)CC2 42228347 QERBZWLSXUYPGW-UHFFFAOYSA-N 356.426 2.271 0 40 FEAB biogenic CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)C1CCCCC1 44949247 SJHMZEBOQHFRCJ-UHFFFAOYSA-N 353.488 2.091 0 40 FEAB COc1ccc(-c2nn(CCCC(=O)N3CCCC3)c(=O)cc2OC)cc1 96100932 BXKGUAKXDSJAGZ-UHFFFAOYSA-N 371.437 2.330 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C[C@H]1C(=O)O 96268488 KIQZCFZIQVLEMU-KRWDZBQOSA-N 369.421 2.096 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96047320 JXCHQIUJWXCNIC-UHFFFAOYSA-N 365.437 2.030 0 40 FEAB Cc1nc(CN2CC[C@]3(CCCN(C(=O)c4ccc[nH]4)C3)C2=O)cs1 96224402 IWJULXXHIRYFAP-SFHVURJKSA-N 358.467 2.435 0 40 FEAB CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 96111810 BEZYXVAVKUNSEZ-HKUYNNGSSA-N 355.482 2.359 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)s1 248128711 XTNFVQYXNLFNER-HKUYNNGSSA-N 366.527 2.139 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2ccnc(-c3ccc(C(=O)O)cc3)c2)C1 257274759 NMMUCTVZOVRZGJ-CQSZACIVSA-N 360.435 2.271 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccco2)cc1 583621832 YNLYZRHYNHDGKA-WBVHZDCISA-N 351.424 2.349 0 40 FEAB O=C(c1cccc([C@@H]2CCCN(CC3CCOCC3)C2)n1)N1CCOCC1 257203194 APABGEFOONYNSJ-GOSISDBHSA-N 373.497 2.160 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CCCn2ccnc2)n1 257264322 LTWZBPVGWUPRHF-KRWDZBQOSA-N 356.474 2.187 0 40 FEAB C[C@@H]1CN(C(=O)Nc2cnn(C)c2-c2ccccc2)C[C@@H](C)S1(=O)=O 289556072 AAGHMXYIOQYSSQ-CHWSQXEVSA-N 362.455 2.126 0 40 FEAB CCOC1CC2(CCN(C(=O)c3cn(CC)nc3-c3cnn(C)c3)C2)C1 606443547 FEAYAKWRXRMDOL-UHFFFAOYSA-N 357.458 2.335 0 40 FEAB Cc1cccc2c(CCNC(=O)[C@@H]3CC[C@@H](C(=O)O)N3C3CC3)c[nH]c12 630656907 JXTCFEXISCYPNR-IRXDYDNUSA-N 355.438 2.215 0 40 FEAB CCN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@@H](C)Cc1ccsc1 681761510 KVYSFQQIYDHQCI-DTVQEZCTSA-N 363.483 2.296 0 40 FEAB CC(C)C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 565600054 JYHVOGCFPBEICX-OAHLLOKOSA-N 374.890 2.146 0 40 FEAB C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc2c(c1)NC(=O)CO2 68294150 HFJIDNMBXNSWLH-ZDUSSCGKSA-N 351.406 2.199 0 40 FEAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 7070987 GDGPETUYFCZOTH-MRACZJACSA-N 351.380 2.476 0 40 FEAB O=C(c1cnccn1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775973196 JWAXSNNBNWAOAP-UHFFFAOYSA-N 364.384 2.035 0 40 FEAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C)nnc12 5437025 CYPIXVFIWSHZCO-UHFFFAOYSA-N 359.455 2.025 0 40 FEAB COc1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5221305 PPABFGGAUZCQIF-AWEZNQCLSA-N 368.389 2.002 0 40 FEAB Cc1ccnn1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1 19238505 CENPRNJRZPQKON-UHFFFAOYSA-N 362.393 2.496 0 40 FEAB Cc1nccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)n1 19287539 WQXMKMOIDFIKAG-INIZCTEOSA-N 362.437 2.310 0 40 FEAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 19401210 NLJVDJDEVQUPCP-QGZVFWFLSA-N 361.405 2.133 0 40 FEAB O=C1C[C@H](c2cc(=O)[nH]c(N3CCCCCC3)n2)CN1Cc1ccccn1 19401467 BMPTWMGKWYEIDT-HNNXBMFYSA-N 367.453 2.061 0 40 FEAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19500826 CSSBPZDYBJWQFO-ZKNHNOBHSA-N 368.389 2.052 0 40 FEAB COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[nH]2)c1 19555456 OEMHMCCVIBSFFK-INIZCTEOSA-N 371.437 2.310 0 40 FEAB COc1ccc(C(=O)NCc2nnc(-c3scnc3C)o2)c(OC)c1 19563276 JUALAFBPXGPJNB-UHFFFAOYSA-N 360.395 2.449 0 40 FEAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(C(=O)CCC1CCCC1)CC2 19706507 BWGVWFSGUTUWJZ-KRWDZBQOSA-N 373.501 2.317 0 40 FEAB O=C(CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)NCC1CC1 19748459 MMWMCGCHUBZJIZ-UHFFFAOYSA-N 357.502 2.205 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)n1 169680637 LRWTYMVGOKIRTD-BZUAXINKSA-N 365.433 2.247 0 40 FEAB COc1ccccc1-c1ccc(NC(=O)c2cc(=O)n(C)c(=O)[nH]2)cc1 19666141 VMISDWOKBSKUCJ-UHFFFAOYSA-N 351.362 2.002 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575607572 NRUOYLHYOJNQFA-SWLSCSKDSA-N 357.859 2.065 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)[C@H]2CCCO2)CC1 1888856498 FADLPIPOUYLVET-GOSISDBHSA-N 373.428 2.262 0 40 FEAB O=C(Cc1cccs1)NCCNS(=O)(=O)c1cccc(Cl)c1 29086062 KOTVSXYRYIVKMV-UHFFFAOYSA-N 358.872 2.039 0 40 FEAB Cc1c(Cl)cccc1C(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC2CC2)C1 1565554907 JXUCOOZCEDYVRR-UKPHBRMFSA-N 362.857 2.404 0 40 FEAB O=C1C[C@]2(COCCN(Cc3ccncc3)C2)CN1c1ccc(F)cc1 1565542837 WWTPFOBCKWJJIN-HXUWFJFHSA-N 355.413 2.476 0 40 FEAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 23106679 XIWKJYMFUVPXKL-HNNXBMFYSA-N 360.483 2.172 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@@H](O)C1CCCCC1)C(=O)C2 227662584 YMIWYYLWZUKISH-HDMKZQKVSA-N 357.516 2.242 0 40 FEAB O=S(=O)(c1cccc2nsnc12)N1CCOc2ccc(F)cc2C1 565692346 KOXGGVZMNYYRFC-UHFFFAOYSA-N 365.411 2.414 0 40 FEAB COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)cc2)o1 36612344 QCTNMYCHYJTWCU-UKRRQHHQSA-N 363.391 2.433 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 667754 ZNIMCRLLPALBDK-LLVKDONJSA-N 370.833 2.462 0 40 FEAB CN1CCN(CCNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 36748508 KQUCYHJGRWMTRS-FQEVSTJZSA-N 352.482 2.475 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)s1 8961556 POQSPRUDAQMPDE-UHFFFAOYSA-N 352.437 2.322 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c1 32816841 KPEQZRYZHGYYAP-UHFFFAOYSA-N 374.418 2.440 0 40 FEAB Cc1ccc2nc(COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc(=O)n2c1 101818530 VDRAZPSJSFPNGH-VKFLQFAXSA-N 368.433 2.377 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2C1 102705175 JNYPKSORVHYZBQ-WOPDTQHZSA-N 359.451 2.158 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1)NCCN1CCc2ccccc2C1 53028182 GEZXYAMHGRTECX-UHFFFAOYSA-N 369.440 2.120 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(CN3CCOC3=O)cc2)[C@H]2C=C[C@H]1C2 103627936 KVZNRFPQSSPPCL-SDADXPQNSA-N 356.378 2.100 0 40 FEAB C[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCCC1 24091530 FTIMDAZQMPUCRY-WBMJQRKESA-N 360.410 2.157 0 40 FEAB COCCNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 24209911 CQDVJXSWJZCWOY-UHFFFAOYSA-N 354.410 2.355 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1F 56826187 ONHPNXXNEOKXEH-CQSZACIVSA-N 360.385 2.434 0 40 FEAB Cc1ccccc1CCNC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 12547300 VGLABUJUVWTWOU-UHFFFAOYSA-N 371.462 2.107 0 40 FEAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426478 DTOKDZFKSONFJW-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 58297955 SOUJRWYSFQBJMK-HNNXBMFYSA-N 362.451 2.419 0 40 FEAB CCOc1ccccc1N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 27934920 YMWBAJRIGYWDFX-MRXNPFEDSA-N 367.515 2.184 0 40 FEAB C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1cc2ccccc2o1 10816235 GTKUXMOTSPGSCG-LLVKDONJSA-N 369.406 2.114 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)c1cc(S(N)(=O)=O)c(C)cc1C 58905152 LWZNONCNJGQJNC-UHFFFAOYSA-N 360.435 2.162 0 40 FEAB CCN(CC)c1ncc(CN2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 19750380 XZVRNBDLBHEVBY-MRXNPFEDSA-N 366.531 2.249 0 40 FEAB O=C(COC(=O)c1cnccn1)Nc1ccc(Br)cc1F 3349698 XUKNQJZSJVWXST-UHFFFAOYSA-N 354.135 2.174 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 48479264 MLRBVIXPBIRPQS-KGLIPLIRSA-N 350.440 2.298 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3592920 ZVAABHUVOPJKCA-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13076363 UQSDRBXQJZPBMZ-STQMWFEESA-N 360.410 2.166 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2cc(Br)ccc2=O)cc1 8735187 MLHGTQBYFGSJNI-UHFFFAOYSA-N 363.211 2.130 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Br 14199354 DHYJLIPCAXBFMM-UWVGGRQHSA-N 364.261 2.256 0 40 FEAB O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 23144978 OWWFBRCXZDTSQP-UHFFFAOYSA-N 364.449 2.277 0 40 FEAB COc1cc([C@H]2OC[C@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 14505997 CICMVLOHBZPXIT-WNISUXOKSA-N 374.389 2.305 0 40 FEAB endogenous,in-man CNc1nnc(SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)s1 7102069 FOVKQZHXNBLFAL-UHFFFAOYSA-N 374.394 2.230 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 7252653 FVGQNLNOMUKFQP-MRXNPFEDSA-N 359.813 2.292 0 40 FEAB Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1C 15831859 JYIXCWOSMZDXQQ-SFHVURJKSA-N 358.438 2.465 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2cccc(F)c2)n1 7513783 ZBLVURHRRFPWRI-UHFFFAOYSA-N 366.370 2.183 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCc1ccccc1 16309598 OGGJBMTXVVAHBC-UHFFFAOYSA-N 352.463 2.472 0 40 FEAB CSc1nc2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2n1 7921273 NTHZGLBCIXTTTM-UHFFFAOYSA-N 359.430 2.461 0 40 FEAB CC(C)NC(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 96000070 ZBCLRNZFBOXJMA-MRXNPFEDSA-N 369.469 2.366 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)s1 8232754 OQAWEGHBWGXQHE-NSHDSACASA-N 356.856 2.002 0 40 FEAB O=C(NC[C@@H](CO)c1ccccc1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 88404755 UNKJKFGTAOBJOZ-ROUUACIJSA-N 373.497 2.243 0 40 FEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 79102423 GLAWNHMRVCSFJK-GOEBONIOSA-N 368.437 2.073 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306138110 RPMBZDNEXBKSIX-UONOGXRCSA-N 371.872 2.128 0 40 FEAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 32777454 HIECUIFSBVWUKB-SECBINFHSA-N 365.436 2.277 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)Cn2cc(Br)cn2)cn1 72406398 MNHHXXHMOVKUKU-UHFFFAOYSA-N 361.203 2.173 0 40 FEAB CC[C@H](C(=O)N1[C@@H](C(=O)O)COC12CCN(CC)CC2)c1ccccc1 71980167 ULUQYEAOMQILMU-DLBZAZTESA-N 360.454 2.304 0 40 FEAB COc1ncccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C)noc1C 72347682 CRFWXDVHMZNDOS-FSWDVZBNSA-N 357.410 2.350 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1F 30321309 MVLHTJUQGAMIGW-UHFFFAOYSA-N 367.398 2.426 0 40 FEAB O=C(Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1)c1ccsc1 71001862 HDMLZRUTEMLBIG-UHFFFAOYSA-N 368.422 2.212 0 40 FEAB CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217417959 VQRKGIPVVGRROV-UHFFFAOYSA-N 358.460 2.299 0 40 FEAB CCCNc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 192576100 BBKBKTFAHGBHAC-GOSISDBHSA-N 374.485 2.041 0 40 FEAB Cc1ccn2cc(C(=O)N[C@@H](c3nccn3C)C3CCOCC3)nc2c1 571945922 CZJNXXFLMSDEOR-QGZVFWFLSA-N 353.426 2.274 0 40 FEAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 96058465 MXSHAYBCWDWOIG-RBUKOAKNSA-N 360.479 2.457 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)c2ncc(C)n2CCN3C)cc1 96144963 TYFDMKLLCSFACD-UHFFFAOYSA-N 354.454 2.277 0 40 FEAB COCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCCCO3)[C@@H]2C 96109636 WTOVMOFSLNCUDD-CYBMUJFWSA-N 357.410 2.408 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106756 KYYGOOMTUNIAFV-GOSISDBHSA-N 353.422 2.457 0 40 FEAB O=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCCC1)C2 247346320 UPUMLZDIDHSONC-OAHLLOKOSA-N 350.484 2.030 0 40 FEAB Cc1ccc2sc(CN3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)nc2c1 528500655 ILWFMYVKEDPHMV-HIFRSBDPSA-N 363.458 2.376 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)COc1ccccc1F 257317460 VJVCVEBHCGOIGS-HNNXBMFYSA-N 359.401 2.163 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3cnccn3)C2)ncn1 257209379 BQDQUYFXJOWYTM-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1nc2cc(CCC(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4)[C@@H]3O)ccc2[nH]1 257300027 RSPQTCCKTCTXGB-QWFCFKBJSA-N 367.453 2.223 0 40 FEAB CO[C@H](C)c1nc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cs1 269878674 JVAXUQOCZKJCOH-OLZOCXBDSA-N 364.475 2.064 0 40 FEAB Cc1cc(C(=O)NCCc2nc(C(=O)O)cs2)c2cnn(C(C)C)c2n1 263042724 NJPFKPCSWYDKPC-UHFFFAOYSA-N 373.438 2.448 0 40 FEAB C[C@H]1CCCN(C(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 260800738 VYGKQXNKCZVEOQ-NWDGAFQWSA-N 360.426 2.378 0 40 FEAB O=C(O)c1ccc(-c2nc(CN3CCOC[C@]34CCOC4)cs2)cc1 652442797 WZRYMOKCZPJDFD-GOSISDBHSA-N 360.435 2.500 0 40 FEAB CC(=O)NCCOc1ccc(C(=O)N2CCC[C@](CO)(CC3CC3)C2)cc1 91724970 BSVUPZWEWPVZTE-NRFANRHFSA-N 374.481 2.216 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 575403869 PDJISOZGGQQQAZ-CQSZACIVSA-N 357.410 2.332 0 40 FEAB O=C(Cc1cccc(F)c1F)N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 585108231 AIVKHGALJPXBBG-SJLPKXTDSA-N 364.436 2.467 0 40 FEAB O=C(Cc1ccco1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585105227 QYCGSPYLVFVKPR-INIZCTEOSA-N 351.468 2.352 0 40 FEAB COc1cccc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)c1 585276743 IFRLXIUQZWHAFJ-NRFANRHFSA-N 355.434 2.450 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)COC(=O)c1cc2c(cc1O)CCCC2 65687553 HPSKWAIMOWBJTR-UHFFFAOYSA-N 357.410 2.417 0 40 FEAB CCN(Cc1ccco1)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 58224527 MCSLRBDYHRAASL-UHFFFAOYSA-N 352.394 2.325 0 40 FEAB Cc1cnc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)cn1 1565522856 UFAXPWOJTSKWEV-UHFFFAOYSA-N 367.453 2.385 0 40 FEAB C[C@H]1CN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@@H]1O 12241288 ZVGKDHDIGHVFJB-GUYCJALGSA-N 351.410 2.396 0 40 FEAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 12436557 WILIVLNMUBRNBN-LOSMXZETSA-N 374.433 2.398 0 40 FEAB Cc1occc1-c1nc(N2CCC(C(N)=O)CC2)ncc1-c1cnccn1 12738864 YEVZNPFTKNXOTL-UHFFFAOYSA-N 364.409 2.204 0 40 FEAB Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2C(=O)Nc1cc(Cl)ccc1Cl 13549436 LJNORAMXPXKCMD-LURJTMIESA-N 367.196 2.012 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1cccc(Cl)c1N1CCOCC1 14126652 JHOITHQMLZMNSY-UHFFFAOYSA-N 367.858 2.347 0 40 FEAB COC(=O)[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C 14135371 GWHIYBVKIXOZCR-LLVKDONJSA-N 355.334 2.061 0 40 FEAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 15334703 WBVBVFAPTKWSIN-PBHICJAKSA-N 359.447 2.424 0 40 FEAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 19375767 GKFWUQQKCZBVIT-UONOGXRCSA-N 352.438 2.280 0 40 FEAB CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 19448033 QVDWADHAFVYSHD-INIZCTEOSA-N 372.494 2.271 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19558982 DUIWWYOWAKPNJG-LBPRGKRZSA-N 372.856 2.414 0 40 FEAB COc1ccccc1CNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19576318 IXAHKXVOOZXLBH-CSODHUTKSA-N 364.401 2.399 0 40 FEAB COCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 19592711 LFYMUXMRLHPJPA-LJQANCHMSA-N 358.463 2.308 0 40 FEAB Cc1nc(-c2cccc(NC(=O)CN3CCNC(=O)C3(C)C)c2)cs1 19659167 MWUCFNGLTMWUCD-UHFFFAOYSA-N 358.467 2.267 0 40 FEAB Nc1nc(N)nc(CN2CCc3cc(Br)c(Cl)cc32)n1 682538543 AUVOHDLLRFKFAP-UHFFFAOYSA-N 355.627 2.015 0 40 FEAB COc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 5710217 NDRQLNKOKZJBMX-UHFFFAOYSA-N 354.406 2.201 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4ccnc(C5CC5)n4)C[C@@H]3C2)c1F 1888866550 JKMPFHVLHPHDPQ-ZIAGYGMSSA-N 354.433 2.418 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 28254638 HIWVNPVFISJLIZ-UHFFFAOYSA-N 374.418 2.145 0 40 FEAB CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 29472974 FZKUYEVLYWVXIA-HNNXBMFYSA-N 352.500 2.358 0 40 FEAB CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@@H]1CCc2ccccc21 30792985 DBWLHXOTWPNYIV-MOPGFXCFSA-N 362.433 2.253 0 40 FEAB Cc1noc(C)c1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 244942740 CXJONXLJODYTLS-UHFFFAOYSA-N 354.395 2.388 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)c1 2037912646 SKRWGKVHROQSSR-IBGZPJMESA-N 361.417 2.153 0 40 FEAB Cc1ccnc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037989183 YPFRHECMWLNQLF-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB O=C(CN1CCCCC1)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554310 XETRGTWRGGXMTF-UHFFFAOYSA-N 357.502 2.172 0 40 FEAB CC(C)CN1c2ccc(F)cc2[C@@H]2CN(C(=O)c3ncn(C)n3)CC[C@@H]21 1565553207 NZWFXPBOJQIWHA-RDJZCZTQSA-N 357.433 2.429 0 40 FEAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCCC1 4304278 PBXOXJPINOFFGB-UHFFFAOYSA-N 354.406 2.204 0 40 FEAB CN(C)CCNc1nc2[nH]nc(N)c2c2c1CN(Cc1ccccc1)CC2 5386572 PIRMRYPNVWMRTF-UHFFFAOYSA-N 365.485 2.072 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2ccccc2Br)CC1 2086868832 QCROPXCHXWWEEG-AWEZNQCLSA-N 368.319 2.480 0 40 FEAB Cn1cc([C@H]2CN(C(=O)Cn3nnc4ccccc43)Cc3ccccc32)cn1 575618000 CYUMSWQCEKBCKF-GOSISDBHSA-N 372.432 2.339 0 40 FEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 575617423 PUXUOJBOVAULBH-NVXWUHKLSA-N 374.510 2.376 0 40 FEAB CC(=O)NCc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 40039425 LXFSAYMXLHQCSF-UHFFFAOYSA-N 362.433 2.481 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cs1 40145212 PBPJADBNNHASFV-UHFFFAOYSA-N 369.450 2.460 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1F 11290112 AMWWEUIKKUHTSN-ORAYPTAESA-N 361.417 2.251 0 40 FEAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(c2cnccn2)CC1 11545523 QIDMGKUCHPZQMS-CQSZACIVSA-N 358.829 2.030 0 40 FEAB Cn1cnnc1-c1cccc(NC(=O)CCNC(=O)c2cccs2)c1 32028667 CYGUGDHOKNTSRN-UHFFFAOYSA-N 355.423 2.302 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)C1 32268459 ATQGFJPLMJIXNO-AWEZNQCLSA-N 368.861 2.198 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 4187962 OOFARBRHWMUVAB-JFRXWTBNSA-N 354.450 2.290 0 40 FEAB CC(C)N(C(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)C(C)C 4984961 AZGSYUKKEVFNAV-QGZVFWFLSA-N 357.454 2.283 0 40 FEAB COc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc(C(=O)O)c1OC 45946771 PICDLQJUAHBHEZ-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc2c1OCO2 105793578 KETYEQBCAXWXLH-NVNXTCNLSA-N 352.371 2.194 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 32910808 OECCKYZUDMCALK-HNNXBMFYSA-N 371.437 2.360 0 40 FEAB CN(CCOc1ccccc1Cl)C(=O)c1cnc2ccccn2c1=O 32900481 JKYRDQGOBGYOKX-UHFFFAOYSA-N 357.797 2.499 0 40 FEAB CN1C(=O)c2ccc(NC(=O)NCCc3nc4ccccc4[nH]3)cc2C1=O 32909509 BADDQIGZKLVHLZ-UHFFFAOYSA-N 363.377 2.153 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CCN(CC1CCOCC1)C2=O 108535364 STKMNJNNGVINAS-FQEVSTJZSA-N 360.502 2.051 0 40 FEAB CC[C@H](C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325322 PCUYKWNEBCKZSD-RYUDHWBXSA-N 367.496 2.500 0 40 FEAB COCCN1C(=O)N[C@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C 9498593 GOWJCZXKGBTMNC-CQSZACIVSA-N 370.352 2.448 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@H]2CCCO2)cc1 53436438 YPWNYQILRKLSNY-GOEBONIOSA-N 368.499 2.405 0 40 FEAB C[C@H]1CC(C)(C)N(C(=O)CNC(=S)N2CCN(C)CC2)c2ccccc21 9939212 OJDRMJCPFOQCFQ-HNNXBMFYSA-N 374.554 2.427 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 42043175 UITSRKBLXIKOCX-NVXWUHKLSA-N 350.484 2.037 0 40 FEAB Cc1nc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 107717909 BVVCKDMAJRPAFL-IAOVAPTHSA-N 358.467 2.465 0 40 FEAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 105546062 OGSSBGVCTWXOGL-HEHGZKQESA-N 367.467 2.330 0 40 FEAB Cc1ccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 55387420 VALYUZNLRZILRB-ZWKOTPCHSA-N 362.495 2.060 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccncc1 57280234 NTGGNAMKMOTTJB-LBPRGKRZSA-N 359.451 2.375 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2[nH]1 12548032 MFZFFBTXRQWKBM-QGZVFWFLSA-N 351.406 2.396 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)NC(=O)N[C@@H]1C 26083185 FPEQOLSQMOXVGC-XUJVJEKNSA-N 364.442 2.287 0 40 FEAB CC1=C/C(=C2\C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1C[C@@H]1CCCO1 57478216 XRLLCWHBZQCEOX-JTQLQIEISA-N 371.315 2.334 0 40 FEAB CCn1c(SCC(=O)NCc2ccccc2)nc2cc(C)[nH]c2c1=O 57521685 QCKVMQWFVQKNBT-UHFFFAOYSA-N 356.451 2.461 0 40 FEAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCN1CCOCC1 22246103 GDAZTCNMVZXCDE-UHFFFAOYSA-N 364.446 2.396 0 40 FEAB CN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)sc1Br 37837708 LZRBUUBJCHDFDB-UHFFFAOYSA-N 354.247 2.239 0 40 FEAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCSc1nnnn1C 48302272 HCQWZWBVNLSDFB-UHFFFAOYSA-N 374.514 2.341 0 40 FEAB CN(CCc1ccccn1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 69460696 LIAUHEOENONNKJ-KSSFIOAISA-N 350.484 2.281 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 28255560 QYMWQWNHVCUYLS-GFCCVEGCSA-N 355.369 2.177 0 40 FEAB CC(C)c1cc(=O)oc2cc(OCc3nc(N)nc(N(C)C)n3)ccc12 14183256 LPDRNDRFIGKJQS-UHFFFAOYSA-N 355.398 2.329 0 40 FEAB Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593086 JUFOPKZZFFZRPL-KXOCWROSSA-N 369.417 2.141 0 40 FEAB COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 9303165 DQBIMIFDTMNFSG-CABCVRRESA-N 368.524 2.314 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)Nc2ccccc21)NCCc1cccs1 14386632 LPALWHJEDXFYQP-AWEZNQCLSA-N 358.419 2.076 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)no1 14572247 QCDCEEBHAGAYJT-LBPRGKRZSA-N 370.365 2.361 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3ccccc32)s1 8878792 PJWUERMGGNXRMP-UHFFFAOYSA-N 350.465 2.043 0 40 FEAB O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1c1ccc2c(c1)OCCO2 5672490 JKEGQFBSKDGNSB-OAHLLOKOSA-N 364.401 2.400 0 40 FEAB COc1cccc([C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1OC 6794192 XZSSAPCIALJNBG-CYBMUJFWSA-N 350.396 2.408 0 40 FEAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2C1 4885262 QAAHDORMCJPDQV-LLVKDONJSA-N 360.435 2.325 0 40 FEAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 6831365 STGDUROTQRJVFG-QGZVFWFLSA-N 368.389 2.456 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2OCC)CC1 4926345 RCGIXFHDEYIWCT-UHFFFAOYSA-N 363.410 2.044 0 40 FEAB COc1cc2nc(CSc3nnc4ccccn34)[nH]c(=O)c2cc1OC 6908296 JGLBHTCUWVMLDX-UHFFFAOYSA-N 369.406 2.275 0 40 FEAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 7327451 HGAPMBZMSQSSSM-UHFFFAOYSA-N 351.362 2.358 0 40 FEAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1 9691469 DWPHMRCHSROZOR-UHFFFAOYSA-N 362.495 2.198 0 40 FEAB Cc1nc(N2CCO[C@@H](C(N)=O)C2)c2cc(-c3ccccc3)sc2n1 84271755 OHVKOQULKQOIKR-CQSZACIVSA-N 354.435 2.357 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCO)c1ccc(Cl)cc1 97176649 UXIODCXNDGBZEU-KRWDZBQOSA-N 360.841 2.180 0 40 FEAB C[C@H](NC(=O)CCCc1ccc(O)cc1)c1cccc(S(N)(=O)=O)c1 75109323 HVDJJEOAXDQACE-ZDUSSCGKSA-N 362.451 2.240 0 40 FEAB CN(Cc1ccccc1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230661 OJOWABNMFYEMRC-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB CC(C)(C)OC(=O)N1CCNC2(CN(C(=O)OCc3ccccc3)C2)C1 306145928 WEORAUDVHRAOIR-UHFFFAOYSA-N 361.442 2.218 0 40 FEAB O=C(NCc1ccccc1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976046 OVHDYUCPARKDQB-UHFFFAOYSA-N 358.357 2.207 0 40 FEAB CC(C)CNC(=O)c1[nH]nc2c1COC[C@@]21CCN(Cc2ccoc2)C1 306123979 BCBLMDKTWKPKBN-IBGZPJMESA-N 358.442 2.062 0 40 FEAB COc1ccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)cc1 306130144 IXLJNISILNJFGM-LJQANCHMSA-N 373.478 2.014 0 40 FEAB O=C1NCCCN(C(=O)Cc2ccc(F)cc2F)[C@H]1Cc1ccccc1 504698004 LQGJNDZTUKUXDP-SFHVURJKSA-N 358.388 2.467 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCn1nnc2ccccc2c1=O 32212411 CVTGWQTXXVVDDR-CQSZACIVSA-N 366.421 2.376 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(-n2[nH]nnc2=N)c1 1542571150 FHZHXSXKLITIKG-OAHLLOKOSA-N 366.425 2.420 0 40 FEAB CC(C)Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2 36358231 KARJUQWWJOERNW-UHFFFAOYSA-N 351.204 2.452 0 40 FEAB CCc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38835382 AUTOXAALHOAPRD-KRWDZBQOSA-N 360.435 2.415 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358775 ALEVSMVBGOBYMM-AWEZNQCLSA-N 364.446 2.269 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 224342682 FECCVCRSUGBRTA-UHFFFAOYSA-N 361.471 2.252 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1cccc(Cl)c1 40017202 CGFVOKZHIKTLIF-UHFFFAOYSA-N 358.833 2.178 0 40 FEAB CC(=O)c1cn(CC(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)nn1 576550453 PWUSAJIAMAVSDI-AWEZNQCLSA-N 360.418 2.131 0 40 FEAB c1cc(COC[C@@H]2CN(CC3CCOCC3)Cc3cncn3C2)ccn1 96208020 CJJYRXNAYHYUDV-LJQANCHMSA-N 356.470 2.353 0 40 FEAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CN1C 96215499 KEHZWUWBOMZFPA-INIZCTEOSA-N 352.500 2.116 0 40 FEAB Cc1cccc2nc(C3CCN(CCN4C(=O)N[C@H](C)C4=O)CC3)oc12 579083274 MPCQMDNCZDHOLW-CYBMUJFWSA-N 356.426 2.256 0 40 FEAB Cc1nc(CN2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cs1 96038459 VBCOIGHHOZKZNC-SFHVURJKSA-N 357.483 2.370 0 40 FEAB CC(=O)N1CC[C@H](CN(C)c2nc(-c3cccnc3)nc3c2CCC3)C1 533177839 JJLMKFGMMJXOGX-OAHLLOKOSA-N 351.454 2.332 0 40 FEAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3ccccn3)C2)OC1 248131778 QNRAPPAWPPYDTJ-SFHVURJKSA-N 366.465 2.230 0 40 FEAB C[C@@H]1CC(=O)c2c(OC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc(F)c21 245266254 JLCIYMVLRDVXBE-IJLUTSLNSA-N 371.364 2.372 0 40 FEAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cc(-c2ccco2)n[nH]1 253472584 NSGZGYXBNDSZBO-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB CCc1cc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)on1 257304016 SJSQINOGTJMJPM-UHFFFAOYSA-N 357.458 2.184 0 40 FEAB Cc1c([C@@H]2[C@@H](C(=O)N3[C@H]4C=CC[C@H]3CC4)CC(=O)N2C2CC2)cnn1C 612863699 RVDVBNCHOCDEDP-PWDMQXDWSA-N 354.454 2.100 0 40 FEAB Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)C(=O)NCc2ccco2)c1C 1120485570 PEQSUYJISTYVQY-DLBZAZTESA-N 360.454 2.239 0 40 FEAB NS(=O)(=O)CCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 1137817939 ORHWKQOEWQQZIO-UHFFFAOYSA-N 358.423 2.033 0 40 FEAB Cn1c(=O)c(CNC(=O)N2CCO[C@@](C)(C(F)F)C2)cc2ccccc21 661223614 JLGWVQBQPQYYMP-GOSISDBHSA-N 365.380 2.104 0 40 FEAB Cc1cccc(COCC[C@@H]2CCOC23CN(C(=O)c2cnccn2)C3)n1 575403763 NUDKHVXKGKQZQP-MRXNPFEDSA-N 368.437 2.018 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NCc2noc(C3CC3)n2)cn1 585099390 CVSBJLMEOBWHCP-HIFRSBDPSA-N 360.418 2.054 0 40 FEAB O=C1CN(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)C(=O)N1 44946996 OOURZEZAYYMJQT-UHFFFAOYSA-N 365.817 2.350 0 40 FEAB O=C(c1ccoc1)N1CCC(NC[C@@H](O)COc2ccc(F)cc2)CC1 75110577 OTTVTPTZBQKGSH-QGZVFWFLSA-N 362.401 2.053 0 40 FEAB COCCN1C(=O)CC2(CCN(Cc3ccc(F)cc3)CC2)n2nccc21 1772596477 KPYXBSGYKDPWHZ-UHFFFAOYSA-N 372.444 2.397 0 40 FEAB CCS(=O)(=O)c1cccc(C(=O)Nc2sccc2C(=O)NC)c1 5241415 LGDQRVVTTVIGJG-UHFFFAOYSA-N 352.437 2.154 0 40 FEAB CCOC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 11985512 XCQAEHVQZDFPCJ-UHFFFAOYSA-N 367.475 2.214 0 40 FEAB Cc1nc2ccccc2n1CC(=O)OCC(=O)NCCc1ccccc1 12659121 NGUGUCLUYLPVBR-UHFFFAOYSA-N 351.406 2.247 0 40 FEAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](NN)[C@H]2C)OCO4)cc(OC)c1O 19168455 SWKDOMTZLKUFNX-FKWNBAQXSA-N 374.393 2.088 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19579997 CWFNOJGUZQFMJW-AWEZNQCLSA-N 355.442 2.089 0 40 FEAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 5987232 AFKMHXDOBMLXEF-UHFFFAOYSA-N 356.378 2.045 0 40 FEAB COc1cccc(-c2cc3c(=O)n(CC(=O)NC4CCCC4)ccn3n2)c1 1888974302 KJBVPVXGXVXDHQ-UHFFFAOYSA-N 366.421 2.230 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1 23671426 ODUDMOIXRCJLKA-UHFFFAOYSA-N 355.419 2.206 0 40 FEAB Cc1cnn(CC(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)c1 2037916167 SBQRJOPXCKAHCP-UHFFFAOYSA-N 357.454 2.241 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(F)cc2F)CCO1)N1CCC(F)(F)CC1 2086954047 AUECUEYCYCFIHS-HNNXBMFYSA-N 360.351 2.423 0 40 FEAB Cc1nc2ccc(N3CCN(c4ncnc5c4CCCC5)CC3)nn2c1C 2087043817 BAJIKHQUNALDKC-UHFFFAOYSA-N 363.469 2.342 0 40 FEAB O=C(CSc1nnnn1-c1cccc2ccccc12)NC[C@@H]1CCCO1 920806 NKRTZBQIDZRHQE-AWEZNQCLSA-N 369.450 2.203 0 40 FEAB CCc1cnc2c(c1OC)c(=O)n(Cc1ccccc1Cl)c(=O)n2C 9571573 QTDRTIXBAHKDKB-UHFFFAOYSA-N 359.813 2.368 0 40 FEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc(OC)cc(OC)c1 10256031 KTZIKLXFCCWNMI-GOSISDBHSA-N 354.406 2.411 0 40 FEAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1F 15675218 GRQDMZVBWDIVLV-UHFFFAOYSA-N 373.771 2.430 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)Cc2ccccn2)C1 2055750814 AHMFJDPXPXQOQB-OAQYLSRUSA-N 366.465 2.186 0 40 FEAB Cc1nc(-c2ccccc2)sc1CC(=O)NCCn1ncccc1=O 42382876 CSXSANDFWPKOPD-UHFFFAOYSA-N 354.435 2.034 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCc2cncc(-c3ccnn3C)c2)c1 575616880 QJUVYKZKTCOCAR-UHFFFAOYSA-N 370.434 2.163 0 40 FEAB O=C(c1cc(Br)cs1)N1CCN(c2cnsn2)CC1 585149082 ZUOHHDHGRWCAPQ-UHFFFAOYSA-N 359.274 2.325 0 40 FEAB CN(C)c1ncccc1CNc1ncnc2c1ncn2C[C@H]1CCCO1 2298074403 KGIBPVAJFFHPRZ-CQSZACIVSA-N 353.430 2.078 0 40 FEAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N[C@@H](C)CN(C)C)n2)c1 12163647 JPSHSXKUUXDZIA-RRQGHBQHSA-N 371.485 2.023 0 40 FEAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)NCc1ccc(Cl)cc1 62021503 FPCFKFVBVJTDQK-FQEVSTJZSA-N 374.868 2.456 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2nc(-c3cccnc3)no2)n1 40121487 KSCLRSBTOHGQBN-ZDUSSCGKSA-N 368.441 2.330 0 40 FEAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 810115 BVIRQEZLAKCTNQ-CYBMUJFWSA-N 356.875 2.363 0 40 FEAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1 3210976 NINIRXWWVBKLTN-UHFFFAOYSA-N 355.441 2.084 0 40 FEAB COc1ccccc1CNC(=O)CCCN1C(=O)c2ccccc2C1=O 3615098 VUJZRFKHDROXIA-UHFFFAOYSA-N 352.390 2.388 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 29361400 UHEJUBPVVREZHC-ROJDOSBLSA-N 359.470 2.146 0 40 FEAB CCN(Cc1cccs1)C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 32722435 ZMIZHOZMMWAXFG-UHFFFAOYSA-N 357.435 2.434 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 7928730 NQZACVDMYZFHBA-AWEZNQCLSA-N 369.373 2.440 0 40 FEAB COC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 32990508 FNCHEFHOYJQEHP-UHFFFAOYSA-N 356.357 2.095 0 40 FEAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1 9479918 NAJOLVDQYXLZKQ-BXUZGUMPSA-N 362.455 2.256 0 40 FEAB CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670376 AEGZEFHWBRJXEF-OALUTQOASA-N 370.501 2.371 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2F)C1 23118147 AIIXTFYPODEXDW-ZDUSSCGKSA-N 356.353 2.224 0 40 FEAB COCCOc1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)ccc1OC 25224050 SPBSWIJHUADZGW-UHFFFAOYSA-N 372.377 2.304 0 40 FEAB COc1cc(NC(=O)CC[C@@H]2CCCO2)c(C(=O)N(C)C)cc1OC 25222517 DTMXOVOWVIELOL-LBPRGKRZSA-N 350.415 2.303 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccsc1 25331966 SGLXLUUHNKTONM-OAHLLOKOSA-N 367.496 2.152 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c2c(n1)c(C)nn2C 28557453 DFRIFQXILDBTKJ-UHFFFAOYSA-N 368.416 2.082 0 40 FEAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCn1cncn1 58183415 BMHDPVKXVGXZTE-UHFFFAOYSA-N 356.405 2.289 0 40 FEAB COc1cccnc1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 58193122 QRPZZVBULVMSHW-UHFFFAOYSA-N 366.425 2.481 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)CCOc2cccc(C)c2C)CC1 24864200 COFNGQCOYQTUFC-UHFFFAOYSA-N 368.499 2.003 0 40 FEAB COc1ccc(-n2cnnc2SCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12621243 VYSGVECBPIZTNM-BETUJISGSA-N 362.455 2.004 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccoc2)c1 48165729 YOOWWIXOQCESJO-CQSZACIVSA-N 357.410 2.112 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OC(F)(F)O3)CS2 13001663 YOHNMCPSQHIXOR-YMTOWFKASA-N 356.350 2.401 0 40 FEAB COC(=O)CCNC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49551380 BJDNLEHBRVSEAX-UHFFFAOYSA-N 374.347 2.234 0 40 FEAB Cc1nc2ccccc2c(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1 9112771 CPSVNDUMNRDZLN-UHFFFAOYSA-N 352.398 2.042 0 40 FEAB Cc1noc(C)c1CCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 26061801 XDGAZAMVCHQNEJ-UHFFFAOYSA-N 363.439 2.303 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2oc3ccccc3c2C)NC(=O)N[C@@H]1C 4462950 WCUNDYSDLFDPRT-LLVKDONJSA-N 372.377 2.417 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1C 14186631 VKRILBQDTJEWEN-UHFFFAOYSA-N 360.458 2.198 0 40 FEAB Cc1ccc(Cn2nccc2NC(=O)Cn2cnc3ccccc3c2=O)o1 14231251 VCAMCMNDXUDRBK-UHFFFAOYSA-N 363.377 2.181 0 40 FEAB COc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1OC 4603450 IAHJCSBQILRONF-QGZVFWFLSA-N 362.470 2.211 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 8709079 NCAIEFUWSVDLDR-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB C[C@@H]1CCc2ccccc2N1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 8710719 RHKDHQSTEMLKOD-AUUYWEPGSA-N 365.433 2.107 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 8780193 XYGQZBGGAQXHAY-CWTRNNRKSA-N 358.442 2.465 0 40 FEAB Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N(C)C 7004400 RWVLBHWIQFPGGH-UHFFFAOYSA-N 370.862 2.042 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1=O 67571696 INTAXUQRNQFQND-JXXFODFXSA-N 367.380 2.428 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccn1 71335027 NEVRXTPHEBKVOC-CQSZACIVSA-N 371.416 2.080 0 40 FEAB CCCCN(C(=O)C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7724672 VMDDUDOHEZNTKK-UHFFFAOYSA-N 350.463 2.098 0 40 FEAB C/C=C/C=C/C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 9218535 JRACLNGCHPVTPA-XPQLPGEHSA-N 357.410 2.038 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc2c(c1)OCO2 9450521 CZSAKIZXSNSLOS-AWEZNQCLSA-N 356.378 2.397 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)NC[C@@H]2CCCO2)CC1 71798604 PBBVIRGHVYXBJA-INIZCTEOSA-N 374.437 2.241 0 40 FEAB O=C(COc1ccccc1F)Nc1cccc(C(=O)N2CCC(O)CC2)c1 97046516 XJLONCWMNHCVEM-UHFFFAOYSA-N 372.396 2.440 0 40 FEAB Cn1cc(N2CC[C@H](N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2=O)cn1 84318598 ZKOZVGQXHUHSEO-KSSFIOAISA-N 364.453 2.281 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 95349479 XNPNGOGNMOUXCX-JCKWVBRZSA-N 370.405 2.115 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1 95947080 WMSPKKOFHJHIMY-UHFFFAOYSA-N 370.471 2.138 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C 408603644 GSRSUWYYVGQXSX-LLVKDONJSA-N 362.879 2.178 0 40 FEAB CN(c1ccccc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 409330290 KPJTYWBKNHEIET-HNNXBMFYSA-N 374.462 2.421 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CN2CCCC2)cc1 32916521 KLNORMGIRWNPQC-UHFFFAOYSA-N 359.451 2.182 0 40 FEAB COCc1nc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)no1 513833646 GTQBESXBSAYCAG-VIFPVBQESA-N 361.324 2.431 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccc(F)c2)C1(CO)CO 218551144 NVHUUZYOMJIOAM-HZPDHXFCSA-N 370.829 2.390 0 40 FEAB CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 72376979 PJZKQMHNEVBMDJ-OAHLLOKOSA-N 361.471 2.059 0 40 FEAB NCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br 43224364 FPOIGOHSQDYEMK-UHFFFAOYSA-N 369.185 2.070 0 40 FEAB COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)c(OC)c1 49404673 KQIAKBJCHAPPGQ-UHFFFAOYSA-N 357.410 2.086 0 40 FEAB Cc1cc(CNC(=O)COc2nn(-c3ccccc3)cc2Cl)n(C)n1 227152195 GKQPSUPPHINFKE-UHFFFAOYSA-N 359.817 2.263 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344886 JKRBBPKLSQQEJN-NSHDSACASA-N 364.361 2.283 0 40 FEAB CC(C)n1c(C(=O)NCC(F)(F)F)nc2c1CCN(C(=O)C1CC1)C2 96264896 NJBHHFGFINWEAB-UHFFFAOYSA-N 358.364 2.051 0 40 FEAB COCC(=O)N1CCC2(CC1)CC(=O)N(c1ncccn1)c1ccccc12 96080251 REZYVDGTYOGRKL-UHFFFAOYSA-N 366.421 2.052 0 40 FEAB Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)sc1C 96182866 YJGHYMYWFSEMTL-LSDHHAIUSA-N 363.414 2.436 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1 96074025 YHMKHZHTJUTZCP-HXUWFJFHSA-N 350.422 2.444 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)cs1 248013966 GWWCBMXREZDHKQ-AWEZNQCLSA-N 374.466 2.332 0 40 FEAB O=C(c1cccc(F)c1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 247873601 MRMAWFBOLSLEDW-PKOBYXMFSA-N 359.401 2.113 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 248151299 UEOJLCZTDXXXBA-MRXNPFEDSA-N 362.470 2.033 0 40 FEAB COCC(=O)N1CCC[C@H](Cc2cnc(-c3cccc(C(=O)O)c3)cn2)C1 257304628 SMKGESHYJRDUKO-CQSZACIVSA-N 369.421 2.269 0 40 FEAB C[C@@H](c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1)N1CCOCC1 603659367 YWYMCUHNMRJXOE-ZDUSSCGKSA-N 355.394 2.425 0 40 FEAB CCOC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1c1cnn(C)c1 585655609 ITUZXHIUBVJOED-HKUYNNGSSA-N 357.454 2.250 0 40 FEAB Cc1cc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)nc(C)n1 257251556 JRFVYKCYRRUWDC-SFHVURJKSA-N 357.410 2.130 0 40 FEAB CCc1ccccc1CN1CCC2(CC1)Cn1nc(C(N)=O)cc1CO2 1775961964 KPWSIXQQGCOYES-UHFFFAOYSA-N 354.454 2.109 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 607889086 UNTFANCHSQEJEY-CQSZACIVSA-N 358.486 2.408 0 40 FEAB O=C(N[C@@]12CCC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 617198298 UDVRWBDTKUPYJU-RDTXWAMCSA-N 366.458 2.285 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cnccn2)C3)cs1 575405708 UISILMGFNBEMJJ-ZDUSSCGKSA-N 362.480 2.158 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CCC[C@@H](O)C1)C2 585103473 GQQNMEYXRSGOGW-MOPGFXCFSA-N 358.482 2.155 0 40 FEAB CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H](O)C1=O 585088722 WMUVEVNFOJTVKD-AEFFLSMTSA-N 350.434 2.355 0 40 FEAB O=C(CC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585286362 WUWNWJDILHGIIF-ZSFPCNDZSA-N 351.418 2.419 0 40 FEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)[C@H]1COc2ccccc2O1 56039499 FJCNZOFAHYNTKO-HXUWFJFHSA-N 368.433 2.340 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3ccnn3C)nn2c1O 12161837 MTSNEGCPQZMJFW-HNNXBMFYSA-N 368.441 2.407 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](c4ccccc4)C3)cc2[nH]1 12238975 FPXDQZFBGWJSAB-AWEZNQCLSA-N 357.435 2.425 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)s1 14236286 DQWRRENMNQTTBM-JTQLQIEISA-N 359.407 2.144 0 40 FEAB O=C(c1c(F)cccc1F)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 19403547 LUDUFSGSKFDSLZ-GFCCVEGCSA-N 370.363 2.318 0 40 FEAB Cc1nc2c(nc(SCC(=O)Nc3ccc(C)c(F)c3)n2C)c(=O)[nH]1 19625854 OVXMMWNUDZBRMI-UHFFFAOYSA-N 361.402 2.143 0 40 FEAB biogenic,in-vitro Cc1nc([C@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)N1CCOCC1 19752932 WYDBDVAWKHPIRG-QGZVFWFLSA-N 372.469 2.111 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 13170928 YTWSGQOVMANINM-VIFPVBQESA-N 360.179 2.290 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nc(C3CC3)n[nH]2)cs1 583623146 WAYFKOADZRQSED-ZFWWWQNUSA-N 364.494 2.491 0 40 FEAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(CCn2ccnn2)C1 1776000768 JAIWGEWUTKFPMF-ZDUSSCGKSA-N 355.364 2.483 0 40 FEAB Cc1nc2ccc(C(=O)NC[C@]3(O)CCCN(c4ccccn4)C3)cc2[nH]1 2037849774 HUUCEXDOIQSCCM-HXUWFJFHSA-N 365.437 2.028 0 40 FEAB COc1ccccc1C(=O)N1CC[C@@H](c2nn(CCN)c3ncccc23)C1 19568603 LKOTZOBFIBXPGX-CQSZACIVSA-N 365.437 2.028 0 40 FEAB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(CCn4nccn4)C3)ccc2n1 2087035491 WKSXSKRPHHENIX-OAHLLOKOSA-N 369.473 2.019 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 4359882 SSFCJYBKRHVNBM-MRXNPFEDSA-N 353.422 2.342 0 40 FEAB CCc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940702 DVNQPZUVZAFYNT-LBPRGKRZSA-N 358.419 2.421 0 40 FEAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 15084205 TXDYNNIXLKIAJJ-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB COc1cccc(OCC(=O)N2CCC[C@@H](Oc3ccnc(C)n3)C2)c1 575609861 QSMHEWKJUJYEOY-QGZVFWFLSA-N 357.410 2.242 0 40 FEAB COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)N(C)O1 38337822 DAJBBSLBNCXVEB-UHFFFAOYSA-N 351.358 2.388 0 40 FEAB NC(=O)CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1 40015889 GPPLWMLPSMZVMK-UHFFFAOYSA-N 364.405 2.078 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(Br)s1 30287566 XYAYRTVZNFONSG-UHFFFAOYSA-N 368.274 2.472 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C 30848283 BGIVEJUSSCUYGH-MRXNPFEDSA-N 360.458 2.291 0 40 FEAB CN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2C1=O 36685213 MPWFCVQJUSIVDJ-AWEZNQCLSA-N 357.435 2.007 0 40 FEAB Cc1ccc2c(c1)nnn2C1CCN(C(=S)NC[C@@H]2CCCO2)CC1 1380679 CPZWBGRVNJOIKP-HNNXBMFYSA-N 359.499 2.430 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 29738458 QESGRESVCBLZRD-ZIAGYGMSSA-N 350.484 2.493 0 40 FEAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 4124765 OFEIMXRKQMBMPZ-XJIUQZFPSA-N 351.761 2.329 0 40 FEAB Cn1ncc2c(N3CCOCC3)nc(NCc3ccccc3Cl)nc21 4375033 UNUUQSWXALWXMY-UHFFFAOYSA-N 358.833 2.465 0 40 FEAB CCCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCS(=O)(=O)C1 29763154 KILCAXQFLJBKMR-HIFRSBDPSA-N 357.859 2.069 0 40 FEAB Cc1c(-n2nnnc2SC2CCCC2)c(=O)n(-c2ccccc2)n1C 60346737 VGECSTZGSQUBBJ-UHFFFAOYSA-N 356.455 2.495 0 40 FEAB CNC(=O)CN(C)c1nc(-c2cccnc2)nc2sc3c(c12)CCC3 7467623 CZQAETUAIVCMTK-UHFFFAOYSA-N 353.451 2.424 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(O)cc2)ccc1Cl 32761009 MWKIXUYMHKWDMH-UHFFFAOYSA-N 354.815 2.230 0 40 FEAB Cc1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 8372444 AJSPRBLLYPQQBT-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)o1 32983339 TUCAKASKWRULEV-GOSISDBHSA-N 370.405 2.021 0 40 FEAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(NS(C)(=O)=O)c1 41675499 ICGDBKCZQHVHIQ-LLVKDONJSA-N 358.423 2.425 0 40 FEAB NC(=O)[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 12259380 PHFZUBVVRUUMOR-LJQANCHMSA-N 369.373 2.191 0 40 FEAB Cc1cccc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 22475262 ILGCIJDPSFVRLB-UHFFFAOYSA-N 351.516 2.233 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccnc2)CC1 35288592 WQLFLLICNGCXBS-UHFFFAOYSA-N 352.438 2.041 0 40 FEAB CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 58218769 BBDBIDFHQMKVLK-ZBFHGGJFSA-N 360.458 2.104 0 40 FEAB CC(C)[C@H](Sc1nnnn1Cc1ccco1)C(=O)NCc1cccnc1 58201733 QXQIKMOBFHFYIC-HNNXBMFYSA-N 372.454 2.143 0 40 FEAB O=C(O)c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 58366557 HLRXLWZGBRYPDU-UHFFFAOYSA-N 357.391 2.430 0 40 FEAB O=C(COc1ccc(F)cc1)N[C@@H](CN1CCOCC1)c1ccccc1 12754124 QMTNVQIEOLNHII-IBGZPJMESA-N 358.413 2.394 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCCC1=CCCCC1 12852658 DCCYLRPRAJZMJW-QGZVFWFLSA-N 355.438 2.156 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CCc2ccccc2)C1 3444997 HGFJFVWUETXONG-HNNXBMFYSA-N 352.390 2.445 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc3c(c2)OCO3)c1 25368600 DSCLJCBYZVXYPT-KRWDZBQOSA-N 357.406 2.490 0 40 FEAB CCOc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC)ccc1OCC(C)C 5102987 BXPMDDGRTWJLIM-GFCCVEGCSA-N 366.414 2.121 0 40 FEAB O=C(CNC(=O)c1cccs1)NCCc1ccc(OC(F)F)cc1 5296189 AWSBPZQBIXTIIL-UHFFFAOYSA-N 354.378 2.438 0 40 FEAB C[C@H]1CN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)C[C@@H](C)O1 13958299 CFFSWULQGJGLPE-KNVOCYPGSA-N 370.169 2.451 0 40 FEAB Cc1noc(Cl)c1CCC(=O)N1CCN(Cc2cscn2)CC1 66050815 KJOPDKVURUVPPR-UHFFFAOYSA-N 354.863 2.370 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccccn2)C(C)C)c1 6858951 IRENIODFWCADCL-SFHVURJKSA-N 371.437 2.170 0 40 FEAB COc1ccc(-n2cnnc2SCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 6860195 VYSGVECBPIZTNM-STQMWFEESA-N 362.455 2.004 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 15762567 NPLJEOSRZNODTM-UONOGXRCSA-N 352.456 2.295 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O 7883119 WGARONCQWRDFCN-ZDUSSCGKSA-N 367.858 2.307 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C)cs2)n(C)c1 8881923 ZDUAGKGBBBGIJZ-UHFFFAOYSA-N 356.473 2.073 0 40 FEAB C[C@@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@H]2OC(=O)c3ccccc32)c1=O 9045288 KEIJMPNOOHGZSA-ZBEGNZNMSA-N 364.357 2.111 0 40 FEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 9503623 ZXGCHIQRWJZWGB-UHFFFAOYSA-N 365.382 2.399 0 40 FEAB Cc1[nH]ncc1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 71808645 OHQYJBDVYLYGHR-UHFFFAOYSA-N 366.425 2.077 0 40 FEAB Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(=O)[nH]1 72272910 HDJVYFBPRGJYBE-SJLPKXTDSA-N 359.401 2.105 0 40 FEAB Cc1nc2n(n1)CCN(C(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C)C2 72311764 OUAQAISKPNCFPV-QGZVFWFLSA-N 369.469 2.082 0 40 FEAB CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3c3nncn3C)cn2)CC1 95453611 FWUVOZCEHNBDSR-MRXNPFEDSA-N 354.458 2.424 0 40 FEAB O=C(O)CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCOCC1 95970150 HZMJLOFDKDELCY-UHFFFAOYSA-N 361.442 2.168 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Br)o1 95957813 FKSRNCSCSXSEBE-BDAKNGLRSA-N 361.261 2.472 0 40 FEAB CC(C)c1noc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 95947604 JHNDPCXEANCWHN-UHFFFAOYSA-N 367.457 2.036 0 40 FEAB O=C(OCC(=O)C1CCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 23464023 WMUOZGDOAVYDPW-UHFFFAOYSA-N 365.451 2.434 0 40 FEAB C[C@@]1(NC(=O)c2csc(-c3ccc(F)cc3)n2)CCS(=O)(=O)C1 39983192 KMEPWDYHOWUROE-OAHLLOKOSA-N 354.428 2.256 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 409009915 CNCZCDCYWULQNC-ITTMYVLYSA-N 351.380 2.389 0 40 FEAB COC(=O)c1cn(Nc2nc3ccc(OC)cc3s2)cc2c(O)nnc1-2 524733555 VZZHYIRSGRNHNK-UHFFFAOYSA-N 371.378 2.369 0 40 FEAB C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(NC(N)=O)cc1 32926486 UYQKNUHFTAPQOR-NSHDSACASA-N 360.439 2.236 0 40 FEAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217447941 GGTDPKGIRAZKOQ-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB Cc1ccoc1CNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C 561403470 AKSFEHMAUNQQND-KSSFIOAISA-N 356.426 2.080 0 40 FEAB CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1nc(C)cs1 188551840 BPWKLFYJAKJURC-ZIAGYGMSSA-N 354.520 2.389 0 40 FEAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 72227054 KJJDYJHIWZQYRS-RTBURBONSA-N 372.421 2.132 0 40 FEAB Cc1nn(C)c2nccc(N3CC[C@H](Oc4cccnc4N(C)C)C3)c12 521223448 HIIDHTXAUXFDSA-AWEZNQCLSA-N 352.442 2.395 0 40 FEAB CC(C)(C)c1nc(CN2CCCN(C(=O)Cc3cncs3)CC2)no1 188130685 QNPUUBFFZKOPNF-UHFFFAOYSA-N 363.487 2.101 0 40 FEAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 567443203 PZVCNZITIMPREX-FCGDIQPGSA-N 350.422 2.026 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c1 224108374 AETFJSXAHWTCHH-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB COc1ccc(C[C@@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225163159 SOWMOWUOZDITHW-INIZCTEOSA-N 367.398 2.296 0 40 FEAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1 225720256 YTUQPYYQYGREEB-UHFFFAOYSA-N 361.445 2.346 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCCC1)c1ccccc12 96079329 CNNXPAMYQDQQJX-QGZVFWFLSA-N 356.466 2.303 0 40 FEAB O=C(c1ccsc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96071649 ASVGSIAREQBIGW-GOSISDBHSA-N 356.451 2.307 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCc1cccnc1 96208085 ASAORKIWBLLBBR-RCCFBDPRSA-N 357.479 2.439 0 40 FEAB CC(=O)N1CC2(CCN(Cc3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 97952874 PVCYIBYIBWBZCA-IBGZPJMESA-N 361.511 2.041 0 40 FEAB Cc1ccc(OC[C@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 95117182 ITPHAVDZEKELRM-MRXNPFEDSA-N 353.415 2.340 0 40 FEAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(C)n2)n1 96056647 MYEONDUZCFNYNU-OALUTQOASA-N 364.449 2.499 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc2c(c1)CCC2 245227195 FOUAYSBWKIMSHD-BUJXUYPKSA-N 362.429 2.167 0 40 FEAB Cc1ccc(C(=O)N2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)cc1C 248169652 UWUYZUDKVLNDMX-SFHVURJKSA-N 358.482 2.257 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)c1 248009796 ILFNLDBJVHCIGD-HKUYNNGSSA-N 371.462 2.429 0 40 FEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccs2)cc(N(C)C)n1 257253011 JXFSWQBLUSQZFY-ZDUSSCGKSA-N 352.485 2.438 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)c1nnc2n1CCCC2 623774595 CUNUSUFRCVFRBX-BBRMVZONSA-N 355.442 2.116 0 40 FEAB CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC[C@H](c3ccncc3)C2)C1=O 595487279 FWCXEEWMQVATGK-DLBZAZTESA-N 359.470 2.204 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc12 684114853 ODMGWUAJFYHPRR-GFCCVEGCSA-N 359.430 2.079 0 40 FEAB C[C@H]1CN(C)c2ccccc2N(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 607916956 SZIMKIVQHBLVKW-HOTGVXAUSA-N 369.469 2.022 0 40 FEAB COc1ccccc1-c1noc([C@@H](C)NC(=O)N2C[C@@H]3CC[C@H](C2)O3)n1 608738102 AZNUUYJYPFHLNJ-UPJWGTAASA-N 358.398 2.379 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCCc3nc(O)ccc32)[nH]n1 298878438 QORZVGHCKMFPGA-AWEZNQCLSA-N 366.425 2.335 0 40 FEAB Cc1cnc([C@H](NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C2CC2)s1 664221711 GONQAUWZMVBWCL-KGYLQXTDSA-N 357.501 2.168 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 585095825 NYMYRRLBTKYACD-IVMMDQJWSA-N 358.467 2.190 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@H]1c1ccccc1 67615650 RFKZJXKPCBSTCV-HOTGVXAUSA-N 370.453 2.096 0 40 FEAB COCc1ccc(CN2C[C@@H](NC(=O)C3CC3)[C@H](c3nccn3C)C2)cc1 1615547998 HOUNACUCIVLBMO-RTBURBONSA-N 368.481 2.061 0 40 FEAB CN(C(=O)[C@H]1CCCCO1)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975904 PZSQHZPPKSNWHD-GOSISDBHSA-N 352.438 2.360 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 12117076 QQKPDWBKXCAWEX-NSHDSACASA-N 364.427 2.040 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 14204411 XACCQSUJJDLZLX-UHFFFAOYSA-N 354.410 2.148 0 40 FEAB Cc1nc(-c2ccc(NC(=O)CN3CCC(C(N)=O)CC3)cc2)cs1 19285623 FJZAVYGDJYROSS-UHFFFAOYSA-N 358.467 2.254 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[nH]2)on1 19452531 UOHZTTANYNMZSE-CQSZACIVSA-N 360.414 2.186 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 19554545 IAKFHEKVKWUSNS-IBGZPJMESA-N 366.465 2.427 0 40 FEAB O=C(Nc1cc(F)ccc1N1CCCC1)[C@@H]1CN(c2ncccn2)CCO1 19747268 PQPWAZRJIJVECO-KRWDZBQOSA-N 371.416 2.060 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 19134492 NRHISPJBSLUXLJ-UHFFFAOYSA-N 350.371 2.290 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4n[nH]cc24)C3)n1 1888906729 BYCCELUVFUDSDD-ACJLOTCBSA-N 351.414 2.137 0 40 FEAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2)CC1 25160541 XLJGUQPKNFKRPZ-QGZVFWFLSA-N 373.840 2.407 0 40 FEAB Cc1nc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)co1 2037839678 AHBPUQNDQKQIGU-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)CCF)C3)C2)cc1 1565556109 XERUWEWORIZSNW-GOSISDBHSA-N 363.389 2.131 0 40 FEAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 9036944 BVJHJINMXOWUIM-CQSZACIVSA-N 362.426 2.466 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 10220958 YFQGNCZGDWBACK-UHFFFAOYSA-N 355.369 2.207 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)no1 10333490 ITPLPNMZNOJNAE-QGZVFWFLSA-N 366.421 2.494 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OC)c(OC)c1 723880 WYOMTZJUOAMWGI-OAHLLOKOSA-N 350.440 2.402 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2nc(-c3ccncc3)no2)n1 40142494 OVKPPSQGYCYNLA-CYBMUJFWSA-N 368.441 2.330 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccco3)CC2)s1 51098949 TVZCJUFXADYRRU-UHFFFAOYSA-N 361.467 2.160 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCn1c(C)csc1=O 36802611 RCVCWSKSSLMZPF-UHFFFAOYSA-N 362.451 2.428 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)cc1F 45947267 XBVBVEBYPTTXRY-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ncccc1C(N)=O 29531141 YUKOLLVLMCVKGU-UHFFFAOYSA-N 366.343 2.109 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2C)c1=O 4999936 GLEAJPNVIWXIDF-UHFFFAOYSA-N 355.369 2.269 0 40 FEAB O=C(O)COc1c(Br)cc(Br)cc1C(=O)O 7604125 AEGOOZGSDCNXJX-UHFFFAOYSA-N 353.950 2.373 0 40 FEAB Cc1cc(C(=O)COC(=O)CCCNC(N)=O)c(C)n1Cc1ccccc1 7736406 DYMAQZPYFGXNAM-UHFFFAOYSA-N 371.437 2.328 0 40 FEAB CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccccc1 2664581 QFCLHOALEKCJGL-SFHVURJKSA-N 366.417 2.386 0 40 FEAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)oc2ccc(Cl)cc12 32776229 PWYHUDCORSQGSU-SECBINFHSA-N 350.758 2.492 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2ccccc2s1 102363349 AGWNHRTXWPXBQI-CHPZLBCBSA-N 353.403 2.042 0 40 FEAB Cc1nc(COc2ccccc2C(=O)O[C@@H](C(N)=O)c2ccccc2)no1 21581602 GIHGTPIXOWGSAH-QGZVFWFLSA-N 367.361 2.340 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cl 8243168 FOSLNTHPEPHSIH-GFCCVEGCSA-N 352.843 2.323 0 40 FEAB COc1ccc(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 32902809 MEHOGXGKDUYXDX-MRXNPFEDSA-N 351.468 2.196 0 40 FEAB COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21821344 VZZAFPISLNNFNR-UHFFFAOYSA-N 350.392 2.414 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O 22194729 OGUQHXQIYPBAJM-OAHLLOKOSA-N 351.721 2.184 0 40 FEAB CCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1CC 12413575 USRZGIQSGSHFNC-UHFFFAOYSA-N 357.439 2.433 0 40 FEAB biogenic,in-vitro COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)c1C 23257760 IJFCUBLCTWCZEI-OAHLLOKOSA-N 373.453 2.400 0 40 FEAB Cc1ccc(C)c(-n2cnn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)c1 12542664 HTCFAWFRKKXBNF-CQSZACIVSA-N 366.512 2.097 0 40 FEAB O=C(C[S@](=O)c1ccc(O)cc1)Nc1cccc(C(=O)NC2CC2)c1 108086267 ZALHVOICFUSVJA-RUZDIDTESA-N 358.419 2.031 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1 3250168 PKUPBQDUNSROEE-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)s1 57993580 VREHZMFHFZEGES-KBPBESRZSA-N 357.497 2.173 0 40 FEAB CNC(=O)c1nn(CN2CCC[C@@H]3CCCC[C@H]32)c(=O)c2ccccc12 36390335 MELYFEZGWMFMAG-WMLDXEAASA-N 354.454 2.368 0 40 FEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2Cc2ccccc2)c2ccccc21 36354005 BZPLSNIBNCMRDH-HSZRJFAPSA-N 369.424 2.275 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1Cc1ccco1 12816396 UFFZMXNUPIHSDY-UHFFFAOYSA-N 365.437 2.499 0 40 FEAB CCOC(=O)c1ccc(OC[C@H](O)Cn2cnc3ccsc3c2=O)cc1 12904330 FQRQQCLXBNLKAO-CYBMUJFWSA-N 374.418 2.075 0 40 FEAB COc1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)c1 12902628 SDAJJFKLKHYZOS-UHFFFAOYSA-N 365.389 2.369 0 40 FEAB biogenic CCN1CCc2c(sc3c2c(NCc2cccnc2)nc2nnnn23)C1 13206987 BVLVTRJZKCQWSV-UHFFFAOYSA-N 366.454 2.119 0 40 FEAB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 14139396 CJLNJYSJCDGDFE-FQEVSTJZSA-N 366.373 2.374 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(F)ccc2F)s1 14160314 ADCICFYFVGCVTR-UHFFFAOYSA-N 360.407 2.370 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C 27740107 BAIDNIBSOZLYQU-LSDHHAIUSA-N 350.415 2.163 0 40 FEAB CCCCCc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1 9335932 MFXOCWSEQHZOKO-UHFFFAOYSA-N 372.454 2.405 0 40 FEAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(=O)n(C)n3)s2)cc1 5965724 AHZAVXBRUUAATI-UHFFFAOYSA-N 373.463 2.485 0 40 FEAB CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 68340879 YGRXVZPTZLRQOU-OALUTQOASA-N 357.498 2.020 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c(F)c1 7856442 PAHDZQANWWPCDE-MRVPVSSYSA-N 366.370 2.179 0 40 FEAB Nc1nc(CN2C(=O)CC3(CCCC3)C2=O)nc(Nc2ccc(F)cc2)n1 8076000 AOVLJCUNUWPPSW-UHFFFAOYSA-N 370.388 2.156 0 40 FEAB O=C(Nc1nncc(-c2ccccc2)n1)NC1(CO)Cc2ccccc2C1 72305773 BEFBPNOAIKEXEC-UHFFFAOYSA-N 361.405 2.190 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)cc1C(=O)O 78938835 JORXKXLKHQFXIY-UHFFFAOYSA-N 365.363 2.206 0 40 FEAB O=C(NC1CC1)C1CCN(C(=O)NCCc2cccc(F)c2F)CC1 95958694 SYXSVQGOKUSXNT-UHFFFAOYSA-N 351.397 2.208 0 40 FEAB O=C1OCCN1CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 95948048 OEFYUWKBBJRHBA-UHFFFAOYSA-N 357.376 2.275 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc3ccccc3o2)CC1 22227972 GUEHKWGDRJJDPG-UHFFFAOYSA-N 371.462 2.475 0 40 FEAB CCC(CC)C(=O)NCc1c2c(c(OC)c3c1OCO3)C(=O)N(C)CC2 524729667 CYJQRCOJBGGPKC-UHFFFAOYSA-N 362.426 2.104 0 40 FEAB biogenic Cc1cc(NC(=O)c2nc3ncccn3n2)nn1Cc1ccccc1F 36618775 VGTIIJWYJBWONO-UHFFFAOYSA-N 351.345 2.069 0 40 FEAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218631408 WOPXPTNWOGZEJA-ZMSDIMECSA-N 365.838 2.370 0 40 FEAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(F)c2)c1 30336646 MNLDIDJGNHFTKJ-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB COc1ccccc1NC(=O)Cc1noc(C(=O)NC2CCCCC2)n1 36353244 SEWYQKOIFLRHJQ-UHFFFAOYSA-N 358.398 2.322 0 40 FEAB Cc1nc(CN(C)C(=O)c2cc[nH]n2)nc2c1CCC(=O)N2CCC(C)C 72380218 BQTWVFWQNJHIJY-UHFFFAOYSA-N 370.457 2.106 0 40 FEAB COc1ccccc1CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223329062 SLWJUNKITIRIAS-UHFFFAOYSA-N 368.798 2.262 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CC2)C1 40088473 PWLAJQVCOAIYMZ-INIZCTEOSA-N 364.511 2.286 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)s1 223255639 FBBXUQXMPXAISD-SECBINFHSA-N 366.468 2.025 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1-n1ccnc1 45860019 XATYNFDRBZCIGC-UHFFFAOYSA-N 360.373 2.497 0 40 FEAB Cc1nc(CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)ncc1C(=O)O 49468456 TVEDGIYFTHAZDC-UHFFFAOYSA-N 369.830 2.098 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 48302644 CORJDAHYUVAQMU-UHFFFAOYSA-N 356.426 2.138 0 40 FEAB CCCN(CCc1cccs1)S(=O)(=O)N1CCC(C(=O)O)CC1 576461687 FXQISCMFEPXYLX-UHFFFAOYSA-N 360.501 2.044 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(Cc2c(C)noc2C)C1 96244392 XMWISXAHEYURRB-LJQANCHMSA-N 357.458 2.130 0 40 FEAB C[C@@H]1c2ncc(COCc3ccccn3)n2CCN1Cc1cnn(C)c1 96109894 CDBSXOSJJBRSBP-OAHLLOKOSA-N 352.442 2.305 0 40 FEAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1cccs1)CC2 96050123 DNTMJEOWISMCKH-UHFFFAOYSA-N 370.522 2.452 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)o1 96051269 OWUOVAJAZYCNAB-FQEVSTJZSA-N 356.422 2.222 0 40 FEAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2 247889640 SPZBFADFDHDOBG-OAHLLOKOSA-N 369.483 2.292 0 40 FEAB Cc1ccc(CN2CCO[C@@H]3C[C@H](COCC(=O)N(C)C)C[C@@H]32)s1 248020673 RHUBDYCJYGVWOQ-HYVNUMGLSA-N 352.500 2.141 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 257230672 GDIRCOGMODJINZ-MRXNPFEDSA-N 357.385 2.261 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1F 257227376 FOZKQLBIJSOXJA-QAPCUYQASA-N 358.417 2.175 0 40 FEAB CN(C(=O)c1cncc(Cc2ccc(F)cc2)c1)[C@@H]1CCS(=O)(=O)C1 257287246 PPDHKVNZGYRNNG-QGZVFWFLSA-N 362.426 2.071 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nc([C@H]2CCCO2)n[nH]1 654636709 NTQXFOWPYLEUAB-CQSZACIVSA-N 373.413 2.117 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ncnc3c2CCCC3)C1 681819248 HBYWBOTWCAFMPW-GOSISDBHSA-N 357.483 2.362 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc([C@H]5C[C@H]5C)n4n2)CC3)C1 631491129 VMFUTJLYDAPKHC-HHTDUIENSA-N 364.457 2.373 0 40 FEAB O=C(C[C@@]1(C(=O)O)CCOC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 634853702 YWPFTJXMRPHKLH-KUHUBIRLSA-N 361.394 2.003 0 40 FEAB CCc1ccc(S(=O)(=O)N([C@@H](C)CC)[C@H]2CCS(=O)(=O)C2)cc1 575420760 KJVUGKUZAIIDON-ZFWWWQNUSA-N 359.513 2.225 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC[C@](O)(COc2ccccc2)C1 585276367 NGCXWRKTBBAULZ-QGZVFWFLSA-N 351.399 2.030 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112870 WHNNXDCSMMLHPU-MRXNPFEDSA-N 368.890 2.033 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 49346989 NIVLQDCQROVXAD-MRXNPFEDSA-N 371.824 2.119 0 40 FEAB CN1CCC(N2CC[C@H]3CC(=O)Nc4cccnc4OCC[C@H]3C2)CC1 1534646396 JIWPFFGROIVXAY-HOTGVXAUSA-N 358.486 2.225 0 40 FEAB CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](CO)[C@@H]1CN(CC)CC 1772594996 NRSRNNAAIZVBQI-DJIMGWMZSA-N 362.470 2.216 0 40 FEAB O=C(COc1ncnc2ccccc12)NCc1nc(-c2ccccc2)no1 12202505 GBJSWPDOVIXUPO-UHFFFAOYSA-N 361.361 2.375 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 12291448 QNWDMYKWYOYKFW-ZRGWGRIASA-N 366.527 2.410 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(CC(=O)O)cs3)ccc12 12893322 ZJFAIIXUXWSXTN-UHFFFAOYSA-N 374.374 2.203 0 40 FEAB biogenic O=C(c1ccccc1F)N1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 13266841 IOUNEFZHTCHXTL-AWEZNQCLSA-N 366.400 2.427 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)c4ccccc4)C3)ncc2C1 19018740 AIKLLXYVGRFHKZ-MRXNPFEDSA-N 350.422 2.011 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1c(C)nn(C)c1C 19566960 IRECFXSRCXDFJP-UHFFFAOYSA-N 351.472 2.483 0 40 FEAB CCN(CC)S(=O)(=O)N1CCC(c2ccc3c(C)nn(C)c3n2)CC1 19744701 QYPRFJJMHZJCIV-UHFFFAOYSA-N 365.503 2.043 0 40 FEAB CN(C(=O)CSc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 5034956 QSSKHMQZHAPJGV-SNVBAGLBSA-N 356.494 2.034 0 40 FEAB O=C(N1CCOCC1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889138898 FRWZBVDLNYLQLA-JSGCOSHPSA-N 370.375 2.063 0 40 FEAB CCn1cc(CN2CCC[C@@H]2c2nc(C)ncc2CNC(C)=O)c(C)n1 1848441880 YYDQVNDGTWTPHH-GOSISDBHSA-N 356.474 2.283 0 40 FEAB C[C@@]1(NC(=O)Cc2csc(-c3ccccc3)n2)CCS(=O)(=O)C1 22546408 RNGPQWGZTCORIX-MRXNPFEDSA-N 350.465 2.046 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc3ccccc3o2)CC1 24002091 PXCJHHXUFWOOQI-UHFFFAOYSA-N 357.435 2.334 0 40 FEAB COC[C@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 24013617 ZZNXPFDTRMVQRY-LBPRGKRZSA-N 362.499 2.459 0 40 FEAB COCCNC(=O)C1=CC2(CCN(C(=O)C3(F)CC3)CC2)c2ccccc21 1565549506 SMBZPWPLEIOKBA-UHFFFAOYSA-N 372.440 2.209 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccco1 4327122 QHUNOSOLULDOGD-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 10104889 VDMSPIWTGMAOKT-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2ccncc2)CC1 2055745875 KLSYUCOBYFFNOF-UHFFFAOYSA-N 357.483 2.263 0 40 FEAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055747739 RSZIKBKTIORFLT-ZBKUBXTQSA-N 373.478 2.478 0 40 FEAB O=C(Cn1cccc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 206753794 KQFVYCICONMEDI-INIZCTEOSA-N 350.415 2.092 0 40 FEAB O=C(OCC12COP(=O)(OC1)OC2)C(C(F)(F)F)C(F)(F)F 1643729 MLZYGZYTMKMZRR-UHFFFAOYSA-N 358.127 2.442 0 40 FEAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2464674 LPQMBZGIRFGIMQ-UHFFFAOYSA-N 368.480 2.333 0 40 FEAB CNC(=O)c1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11618301 FWHKQKKEHNALST-UHFFFAOYSA-N 366.421 2.224 0 40 FEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)c1ccccc1 6763273 YGSGNONRMYNTDL-ZDUSSCGKSA-N 361.419 2.365 0 40 FEAB NC(=O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 57202335 BLWHNSDEDHNXTO-UHFFFAOYSA-N 372.396 2.377 0 40 FEAB CCn1c(S)nc2cc(C(=O)NCCc3ccc(O)cc3)ccc2c1=O 103610512 UOYOCIRNHVBGII-UHFFFAOYSA-N 369.446 2.383 0 40 FEAB COc1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 101264425 DAXXKGAJEDPNIN-OWCLPIDISA-N 358.781 2.483 0 40 FEAB COc1ccc(CNC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 53733584 NOSJAZBVSOEOPH-NSHDSACASA-N 370.409 2.434 0 40 FEAB Cc1sc2ncnc(N3CCC(/C(O)=N/S(C)(=O)=O)CC3)c2c1C 42280764 NMIBBGMTRJRLDJ-UHFFFAOYSA-N 368.484 2.441 0 40 FEAB Cc1cc(NC(=O)[C@@H](NCC(C)(C)N2CCOCC2)c2ccccc2)no1 22912151 CVEHYJXLORPYGM-SFHVURJKSA-N 372.469 2.363 0 40 FEAB C[C@H]1CCCN(CCNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 104850738 ZNNFEFFECINCSD-FXAWDEMLSA-N 359.514 2.033 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 25283268 JPBSORZRWUTSKA-XOBRGWDASA-N 373.453 2.371 0 40 FEAB CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccnc(N2CCCC2)c1 26302552 CGKSUNZJRWCGMR-UHFFFAOYSA-N 367.453 2.122 0 40 FEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1 26767926 FGYKPVKMJCZIJA-DLBZAZTESA-N 366.483 2.343 0 40 FEAB Cc1noc(C)c1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 108420950 NLZPSNJHBKDCDN-GOSISDBHSA-N 356.470 2.279 0 40 FEAB CCOCc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1 27373537 ZAVXQMYTJAJTEX-UHFFFAOYSA-N 355.442 2.045 0 40 FEAB CCCCCCN(CCN1CCOCC1)C(=O)Nc1cc(C)nn1C 58129879 RLQOVWMYUPDBAJ-UHFFFAOYSA-N 351.495 2.475 0 40 FEAB COc1ccc(CCC(=O)N2CCN([C@@H](C)c3nnc(C)o3)CC2)cc1 58292430 ZFMDMVNOFLEPLI-AWEZNQCLSA-N 358.442 2.225 0 40 FEAB COc1cccc(/C=C/C(=O)NCc2cccnc2-n2cncn2)c1OC 58210481 RBTDYLBEZLAHGC-CMDGGOBGSA-N 365.393 2.009 0 40 FEAB NC(=O)[C@@H](OC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 27771406 YGSNEDDWVYQGCX-IRXDYDNUSA-N 368.389 2.188 0 40 FEAB C[C@H](Sc1nc2c(N)ncnc2n1CCOc1ccccc1)C(=O)O 4178559 GXEIYUHVXBSEDP-JTQLQIEISA-N 359.411 2.053 0 40 FEAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@H](C)COC)C2)s1 13844527 NOWLLIHUVLMWON-ZYHUDNBSSA-N 354.476 2.264 0 40 FEAB O=c1c2c3c(sc2ncn1C[C@H](O)c1ccccc1Cl)CNCC3 65369812 YVVVFFMJGQCIEE-ZDUSSCGKSA-N 361.854 2.491 0 40 FEAB O=C(c1ccc(Br)o1)N1CCC2(CC1)NCCc1[nH]cnc12 8764743 IFJJPMJHTGWLER-UHFFFAOYSA-N 365.231 2.042 0 40 FEAB biogenic CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 5351180 VABQQEZQCVSIKW-PTDBIEIZSA-N 369.465 2.252 0 40 FEAB COc1cccc(CN(C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 14123487 LIROLJFKCSXOEP-UHFFFAOYSA-N 362.451 2.169 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(F)c2)C1=O 409238834 LMHBZURPZPUGRA-XNTDXEJSSA-N 369.352 2.366 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)NCC(=O)NC(C)C)c(C)c1 9115744 NIXNMHYAYRIGFY-UHFFFAOYSA-N 360.483 2.222 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1N1CCOCC1 5689442 QTJOYLSQZSATKQ-UHFFFAOYSA-N 360.435 2.179 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cn3ccccc3n2)c1C 9156858 GTTZYPRWRCVUQX-UHFFFAOYSA-N 372.450 2.454 0 40 FEAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC[C@@]2(CCCOC2)C1 80102549 GZCRUHIRXYPRME-GOSISDBHSA-N 359.451 2.245 0 40 FEAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NCCCc1ccccc1 67649558 OPKPVRPBWCAZSC-UHFFFAOYSA-N 357.435 2.100 0 40 FEAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCCC(=O)N(C)C)C1 72084000 KWGWWIHIQGMIGU-AWEZNQCLSA-N 366.893 2.252 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9313940 UPOXYWPIKFKGMH-YWZLYKJASA-N 357.454 2.331 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)n1 83897394 SVWQPRXOUGLZKZ-INIZCTEOSA-N 353.378 2.112 0 40 FEAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(C(N)=O)c1)C(C)C 9641067 HMVHIKVUBYXELB-KRWDZBQOSA-N 353.422 2.487 0 40 FEAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc2cccnc12 97013009 TUPFXJODXOHLGA-HNNXBMFYSA-N 357.439 2.089 0 40 FEAB CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(Cn2cncn2)cc1 89950279 MGUVFDDGCZZTAX-INIZCTEOSA-N 358.446 2.143 0 40 FEAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@H]2C(N)=O)n(-c2ccccc2)n1 72700783 PKULEJPBYGOYHB-HNNXBMFYSA-N 369.469 2.058 0 40 FEAB CCCc1cc(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)[nH]n1 95465387 OZYKJAMYVQCZHR-UHFFFAOYSA-N 352.398 2.208 0 40 FEAB CC(=O)N1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 79008258 DRTOHWCLOCERAO-IBGZPJMESA-N 358.486 2.087 0 40 FEAB CN(CC1CC1)C(=O)Cn1cnc2c(F)cc(Br)cc2c1=O 79072939 OPQSMBOCQKWNIN-UHFFFAOYSA-N 368.206 2.167 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OC 409188662 JITJLGWHVGHIGY-BJMVGYQFSA-N 355.188 2.379 0 40 FEAB CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2)CC1 35314249 NRMUGBXAUCLJTH-UHFFFAOYSA-N 356.474 2.213 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 11865462 XYUOOKWIMSDRCG-DYZYQPBXSA-N 361.394 2.273 0 40 FEAB biogenic CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCc2ccccc2)C[C@@H]1CO 39160149 WPPIPCNSRTXZPI-HUUCEWRRSA-N 350.415 2.283 0 40 FEAB COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccccn2)C1 72354476 DKDIWWANERPXOC-LJQANCHMSA-N 353.466 2.345 0 40 FEAB COC(=O)c1c(NC(=O)c2cc(C)nc3ncnn23)sc2c1CCC2 36619016 HPXQNQFXRMUVRO-UHFFFAOYSA-N 357.395 2.022 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 30976441 DKHFBMRDUOHPSP-SCLBCKFNSA-N 355.394 2.085 0 40 FEAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1cccs1 225130595 OXIRAEALUJXEMO-UHFFFAOYSA-N 355.437 2.433 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(-c2ccco2)nc1 225752528 IKFGMNJQIPLVDP-UHFFFAOYSA-N 360.373 2.368 0 40 FEAB COc1cccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1OC 224299516 LZGCCYTUESOBSK-UHFFFAOYSA-N 372.425 2.200 0 40 FEAB Nc1nnc(COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 222644119 CQSOWHRKQRAOTH-UHFFFAOYSA-N 368.484 2.310 0 40 FEAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C1(C(F)(F)F)CCC1 572882465 JHFLYTOINFEHBP-JTQLQIEISA-N 363.357 2.070 0 40 FEAB Cc1ccsc1C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96240840 AWTJEVDBXKRZCL-HNNXBMFYSA-N 362.495 2.452 0 40 FEAB CN(C)C(=O)[C@]12CCCN(C(=O)C3CCC3)C[C@H]1CN(c1ccccn1)C2 96251265 BSYQDAGXGLXZSI-UWJYYQICSA-N 370.497 2.015 0 40 FEAB c1ccc(CN2CCOC[C@H]2c2nccc(NC3CCOCC3)n2)nc1 96218762 CCMABEMQURFBDR-KRWDZBQOSA-N 355.442 2.036 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96107764 FTJOLXJTASJDOV-BEFAXECRSA-N 355.394 2.400 0 40 FEAB CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2c(C)nn(C)c2Cl)C1 583615382 GFMNAUSMMDIJAD-JQWIXIFHSA-N 352.788 2.413 0 40 FEAB CCN(CC)C(=O)CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 257213918 CJRRNLUGUNZQKS-QGZVFWFLSA-N 369.469 2.462 0 40 FEAB O=C(Nc1ccc(Cl)cc1)c1cnn2c(O)cc([C@@H]3CCNC3)nc12 257313827 UUGLREBKQMLNGW-SNVBAGLBSA-N 357.801 2.418 0 40 FEAB O=c1c2sc(N3CCCC3)nc2ncn1C[C@@H](O)CCc1ccccc1 585085083 BFFKFWOBKHHJPL-HNNXBMFYSA-N 370.478 2.447 0 40 FEAB COc1cccc(CC(=O)N2CCOC[C@H]2CCc2nccnc2C)c1 257225303 FFRLTMXQVSLBLU-QGZVFWFLSA-N 355.438 2.196 0 40 FEAB O=C(Cc1noc2ccccc12)N1CCc2nc[nH]c2C12CCOCC2 633524613 MCKFCQRHIOAHNR-UHFFFAOYSA-N 352.394 2.184 0 40 FEAB Cc1c(C(=O)N[C@@H](C(=O)O)c2ccccc2F)cnn1C1CCOCC1 683320186 UGPRJDDQKOQIBO-MRXNPFEDSA-N 361.373 2.238 0 40 FEAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575423323 PFQMFYRPJQDHJW-CABCVRRESA-N 359.513 2.280 0 40 FEAB Cc1ccc(OCc2nnc3n2CCN(CC2CCOCC2)[C@@H]3C)cn1 585097599 NHVTWPFKJNXYTE-OAHLLOKOSA-N 357.458 2.364 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](O)C2)C3)cc1 585105158 ZTMWIZONVWKJIH-UXHICEINSA-N 372.509 2.463 0 40 FEAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ncccn2)CC1 73625203 XNKPZDLBPLRHNB-HNNXBMFYSA-N 351.454 2.115 0 40 FEAB Cn1cnn(CCC(=O)N2CCc3ccc(-c4ccccc4)cc3C2)c1=O 562562327 ORHUZTWOKWRSDL-UHFFFAOYSA-N 362.433 2.224 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CCCCC1 1615188872 XUTCGRDKDFYLHQ-IBGZPJMESA-N 371.424 2.102 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 5240619 ZZISNXOGSQPUOY-AWEZNQCLSA-N 356.378 2.118 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)c2n1 12337196 AJIGMIURBFLACQ-SWLSCSKDSA-N 366.425 2.030 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 15935469 ZPOTYOQHBZRNLI-UHFFFAOYSA-N 365.499 2.284 0 40 FEAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccncc2)(C(=O)NC)C1 19499005 UKZCNRRNOFUXPI-NRFANRHFSA-N 367.449 2.045 0 40 FEAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 19681751 XXHHFIQBASIVDA-UHFFFAOYSA-N 360.391 2.297 0 40 FEAB CCc1cc(C(=O)NCc2nnc3n2CCCCC3)c2c(C)noc2n1 19714520 VWCWQIKUZMRENK-UHFFFAOYSA-N 354.414 2.342 0 40 FEAB CO[C@@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)C[C@H]1c1cnn[nH]1 622168960 WEHXXWSJKLTLOY-XJKSGUPXSA-N 359.817 2.054 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234276 SRSMSTMCVMXCRX-DOMZBBRYSA-N 371.416 2.238 0 40 FEAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1OC 13358988 SJLYWBCFWLQHGJ-CYBMUJFWSA-N 372.487 2.182 0 40 FEAB O=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1)NC1CCCC1 1888921848 UUIKRHVRFSECHW-UHFFFAOYSA-N 357.445 2.015 0 40 FEAB Cc1cnccc1OCC1CCN(CC2CCS(=O)(=O)CC2)CC1 1889070559 UTDRDHIMTCQAFD-UHFFFAOYSA-N 352.500 2.306 0 40 FEAB Cn1ccnc(N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)c1=O 1889089306 JWNIDZUMAJGMIN-LLVKDONJSA-N 354.332 2.099 0 40 FEAB CSc1ccccc1NC(=O)CN(C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 25748506 ZLVJFHLWKIOLPH-KBPBESRZSA-N 373.478 2.188 0 40 FEAB CN(C(=O)[C@H]1CCCO1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1776008108 YXPKDEGEQVMWPL-OAHLLOKOSA-N 356.401 2.109 0 40 FEAB CS(=O)(=O)N1CCC(NCc2cc(Br)ccc2F)CC1 35251555 JTAVMKVAULZSAG-UHFFFAOYSA-N 365.268 2.102 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(c4ncccc4F)CC[C@H]3C2)cn1 2056224811 WXZFASHBVIVDKV-OKILXGFUSA-N 371.416 2.008 0 40 FEAB O=C(NCC1CCN(C2CCSCC2)CC1)C(=O)Nc1ccccc1 252571476 XZQQWTLPBAFUEA-UHFFFAOYSA-N 361.511 2.349 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)CC3(O)CCC3)C2)C1 1614934734 MDTKKKGMQZPUGZ-FQEVSTJZSA-N 371.437 2.068 0 40 FEAB CC(=O)c1cc(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)n[nH]1 1565553467 ZJFBOTSEMCAEJK-GOSISDBHSA-N 372.450 2.333 0 40 FEAB COC(=O)CCCn1ccc(NC(=O)c2cc3ccccc3oc2=O)n1 4785048 NHPQJWLGOLPUFY-UHFFFAOYSA-N 355.350 2.195 0 40 FEAB O=C(NCc1ccccc1)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127416 XXBYPCQKCXMBJW-UHFFFAOYSA-N 365.477 2.331 0 40 FEAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(F)cc1 100160078 JDJYNLNTKHNGIU-GBALJZQLSA-N 354.381 2.207 0 40 FEAB Cn1c(-c2ccccc2)nn(CCNC(=O)c2cc3ccccc3o2)c1=O 36708563 XSYBLPJUEFKILY-UHFFFAOYSA-N 362.389 2.425 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575612022 IGINNKOJJUMGKH-DZZUKKPASA-N 363.414 2.460 0 40 FEAB O=C(Nc1nc(-c2cccnc2)cs1)c1c(O)c2c([nH]c1=O)CCC2 207010540 FXPLFLQEYLYXHV-UHFFFAOYSA-N 354.391 2.340 0 40 FEAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCC4(CC3)OCCO4)cc2c1C 50258189 VDQKFXHXOWXWHH-UHFFFAOYSA-N 372.421 2.307 0 40 FEAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1OC 40287629 WXQXURKHNKPRFG-UHFFFAOYSA-N 371.422 2.482 0 40 FEAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)[C@H]1COc2ccccc2O1 8282235 CUDNPEUFJYEXNT-GOSISDBHSA-N 366.373 2.006 0 40 FEAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCCC[C@H]2CCO)CC1 69249622 SPLMCFBDIXPGGL-IBGZPJMESA-N 373.497 2.101 0 40 FEAB O=C(c1ccco1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 4897960 FJUSYFHWGXZOAL-UHFFFAOYSA-N 374.404 2.347 0 40 FEAB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NC(N)=O 6610062 WBJGBPTUTZVQBC-CLFYSBASSA-N 353.363 2.409 0 40 FEAB O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)NC1CC1 7976495 USBGUEXFRQQEPH-UHFFFAOYSA-N 366.826 2.106 0 40 FEAB COc1ccccc1C(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 101005262 KSHMAQGDNDATNM-UHFFFAOYSA-N 361.361 2.346 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OC[C@H]2CCCO2)C(C)C)c1 32666426 UPVIQZPNCQAERB-RHSMWYFYSA-N 365.426 2.180 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCCCC1 8405195 BYBWQPUEUGZLQA-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB CCOC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C 32911706 KUXQMXKGOQJEGK-XJKSGUPXSA-N 359.430 2.215 0 40 FEAB COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 56290829 CNXKKVNVASLHEE-UHFFFAOYSA-N 353.422 2.335 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)N1CCN(Cc2ccccn2)CC1 33237128 HOQTVPNURVKNBU-UHFFFAOYSA-N 351.450 2.294 0 40 FEAB Cc1csc2nc(CN3CCN(Cc4cccs4)CC3)cc(=O)n12 22023861 JPCDEOHBZFTIKP-UHFFFAOYSA-N 360.508 2.444 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(Cc3ccco3)CC2)c1 22916616 IOVHWSOJMFYLAW-HNNXBMFYSA-N 373.453 2.442 0 40 FEAB CCC(C)(C)NC(=O)CN1CCN(Cc2cc(OC)ccc2OC)CC1 23254860 MEDLKGNYNHGMGW-UHFFFAOYSA-N 363.502 2.126 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2cnn(C)c2-n2cccc2)n1 43074193 KEDKNGNRAAXERA-UHFFFAOYSA-N 359.411 2.025 0 40 FEAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 61601378 GQDLIUUQXVKUEJ-HNNXBMFYSA-N 373.831 2.317 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 47478826 OUZUOLAKYUOCMH-LLVKDONJSA-N 371.422 2.099 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 21872410 MQEOMSPXXVVBKD-SNVBAGLBSA-N 352.378 2.302 0 40 FEAB NC(=O)COc1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1 24758347 FZICIDRHYFDWFZ-UHFFFAOYSA-N 369.299 2.139 0 40 FEAB C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(C)c3)cn2)C[C@@H](C)O1 58158029 USRZCMIEAVDTHX-ZIAGYGMSSA-N 358.446 2.093 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 58162856 KHEOZFBDDTVYNH-GFCCVEGCSA-N 353.806 2.416 0 40 FEAB Cc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cn1 58426526 YTFCRPMCKDGVNC-UHFFFAOYSA-N 355.413 2.493 0 40 FEAB COc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 10735422 CDTLCCXDAQORPC-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408562875 SCIYAFDEQBVNQC-UHFFFAOYSA-N 354.472 2.075 0 40 FEAB Cn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1 3516340 JKGDIBOLNRFOJH-UHFFFAOYSA-N 359.455 2.343 0 40 FEAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc[nH]c1=O 13003866 GORCOJUDCHJTGR-UHFFFAOYSA-N 356.407 2.074 0 40 FEAB O=C1CCc2cc(C(=O)COC(=O)c3ccc4c(c3)OCO4)ccc2N1 8498904 IGIGGGXSXVQJDM-UHFFFAOYSA-N 353.330 2.340 0 40 FEAB CCOc1ccc(/C=C(\C(=O)N2CCOCC2)n2ccccc2=O)cc1 13944054 XWCKZWAIXSXNNP-OBGWFSINSA-N 354.406 2.104 0 40 FEAB NC(=O)c1ccccc1OS(=O)(=O)c1ccc(Br)cc1 6315150 YCZZIMIPJYJYQS-UHFFFAOYSA-N 356.197 2.316 0 40 FEAB COC(=O)c1sccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14022335 KCFIQQDIUQIGJU-UHFFFAOYSA-N 368.436 2.037 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 14138825 ZTSHLSZYCKYZTH-UHFFFAOYSA-N 372.418 2.173 0 40 FEAB CN(c1ccccc1C(=O)NCCSCc1ccco1)S(C)(=O)=O 409352132 WIRYLPBJQCRISC-UHFFFAOYSA-N 368.480 2.339 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 67261921 MXIHQYBJONMLRB-UHFFFAOYSA-N 371.441 2.235 0 40 FEAB CN(C)C(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 306139419 SWTRCZTWCUHFLC-SFHVURJKSA-N 364.453 2.259 0 40 FEAB Cn1ncc(Br)c1-c1nn2c(-c3ccncc3)nnc2s1 72404573 PAKPNZHBJLMOKQ-UHFFFAOYSA-N 362.216 2.411 0 40 FEAB COCCn1c(C(=O)NCCc2nnc3ccccn23)cc2ccccc21 95475923 YRLYUXFBYVOONJ-UHFFFAOYSA-N 363.421 2.303 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)CC1 78305810 TVTWFXQQPCWTGT-UHFFFAOYSA-N 353.426 2.181 0 40 FEAB CNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)CC(C)(C)C2 24755118 HCDGIGVZPZGJEX-UHFFFAOYSA-N 366.469 2.395 0 40 FEAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23132191 JTDDLPVDWZICCC-UHFFFAOYSA-N 350.484 2.101 0 40 FEAB CC1=C(C)CN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)CC1 511241766 LDQQPSNEBGOFJN-LPHOPBHVSA-N 356.470 2.431 0 40 FEAB COc1ccccc1CNc1nc2ncc3c(c2c(=O)[nH]1)CCCC3=O 38829532 NAJLCFVMUXFAEJ-UHFFFAOYSA-N 350.378 2.458 0 40 FEAB N[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218185282 GXEMQMLSSZDCQK-JYJNAYRXSA-N 351.811 2.336 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)[C@@H](C(=O)O)C1 566689503 PSPPEHHTZCCDKK-CZUORRHYSA-N 361.373 2.024 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1C 224642777 AAQMSIPXHDWHSR-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB COc1cccc(-c2cc(C(=O)NCc3c4c(nn3C)CCC4)n(C)n2)c1 225818200 RFCYSGMSWHUMLW-UHFFFAOYSA-N 365.437 2.248 0 40 FEAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 222913220 FLSBYKBVVQCOIG-WMLDXEAASA-N 350.434 2.494 0 40 FEAB C[C@H](CO)NC(=O)c1ccc(NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 332160733 PYPVDKVIGKRXSZ-MDZRGWNJSA-N 373.497 2.390 0 40 FEAB Cc1nc(N2CCCC2)nc2c1CCN(S(=O)(=O)c1ccccc1)CC2 96083863 KWZJQLVJJXSPPR-UHFFFAOYSA-N 372.494 2.175 0 40 FEAB COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(C)C4)n3c2)cc1 96156117 HGWFXQDUNVUYAC-CYBMUJFWSA-N 351.410 2.409 0 40 FEAB COc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cc1 247891643 AWCBVHAKNKAKON-OAHLLOKOSA-N 369.508 2.370 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 257327586 XBYKYCYCQBYICU-AWEZNQCLSA-N 354.410 2.107 0 40 FEAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 252014366 UTTOYOQLBGFTNP-OAHLLOKOSA-N 366.425 2.267 0 40 FEAB Cc1cccc(N2CCC[C@H](N(C)C(=O)CCc3cnn(C)c3C)C2)n1 257213106 CGEWYXQQMZOMHN-SFHVURJKSA-N 355.486 2.492 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 257202424 ALSJAFUMGIVDNK-HNNXBMFYSA-N 351.414 2.017 0 40 FEAB C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)Nc4ncccn4)cn1c23 1152639249 NOQWZBZHOKNOSI-QMMMGPOBSA-N 358.304 2.275 0 40 FEAB COc1ccc([C@H](CC(=O)O)NC(=O)Cn2c(O)nc3ccccc32)cc1 675945783 DEQUVQBPPQALKJ-HNNXBMFYSA-N 369.377 2.083 0 40 FEAB Cn1ccnc1SCC1CCN(S(=O)(=O)c2cccnc2)CC1 90608231 WMTSZUZTELETBE-UHFFFAOYSA-N 352.485 2.008 0 40 FEAB O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2[C@@H](COc2ncccn2)C1 575406770 SLQRECRNKUWVFZ-MRXNPFEDSA-N 374.404 2.431 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 585102845 KNFROBUDTLILHL-KNQAVFIVSA-N 370.493 2.415 0 40 FEAB COCCOC(=O)NC(=S)Nc1ccc2c(c1)N(C(C)=O)[C@@H](C)C2 5336290 YLCCLAPQQNMZNG-JTQLQIEISA-N 351.428 2.054 0 40 FEAB C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 5369572 ZORQMBLUMWNJEQ-UGDFAFBOSA-N 368.451 2.056 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cc3cnn(C(C)C)c3nc2C)n(C)n1 11701815 GWPIABUQSUEVLH-UHFFFAOYSA-N 370.413 2.158 0 40 FEAB CC(C)(C)NC(=O)Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O 12117423 DASRLGKKNILVCT-UHFFFAOYSA-N 357.439 2.072 0 40 FEAB Cc1cc(C(=O)N2CCC(O)(Cn3c(C)cc4ccncc43)CC2)on1 12223033 JRUIVUIGYSQHOL-UHFFFAOYSA-N 354.410 2.308 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)COc2ccc(OC)cc2)cc1 13717238 AGUJBCAYIZQMKU-UHFFFAOYSA-N 372.421 2.018 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H]2CCN(c3nccs3)C2)cc1F 206818973 DVCKICRCAGDGMZ-NSHDSACASA-N 371.459 2.238 0 40 FEAB O=C(O)c1cccc2c1CCN(C(=O)Cc1ccc3c(c1)OCCO3)C2 621578258 GRBALQXUXKIXNL-UHFFFAOYSA-N 353.374 2.283 0 40 FEAB COc1ccc(Nc2nnc(SCC(=O)N3CCOCC3)s2)cc1 3478324 DWGVMCPCOLVRNK-UHFFFAOYSA-N 366.468 2.241 0 40 FEAB CC(C)[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccs1 7040976 KWASXRMNMZWHMF-INIZCTEOSA-N 357.435 2.265 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)no1 1888843955 HNVFOQOLBJZDHG-GHMZBOCLSA-N 367.331 2.000 0 40 FEAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3C)CC2)n1 1889122675 HLSJKKQSFJTCLF-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB O=C(CCc1cccnc1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037978403 UYWOXRGUNARGSC-NRFANRHFSA-N 365.433 2.049 0 40 FEAB Cn1nc(C(=O)O)cc1C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 630215483 NCQROSWNYHUJNY-CVEARBPZSA-N 357.410 2.232 0 40 FEAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncc3ccccc3n2)n(C)n1 1565541745 WZLYKLUQFKULBD-ROUUACIJSA-N 362.437 2.052 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565546253 WSDRCORNUVGRDG-HBFSDRIKSA-N 355.438 2.318 0 40 FEAB Cc1ccc(N2C[C@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 5221883 IHDOXBKXPSKWMQ-CYBMUJFWSA-N 366.389 2.357 0 40 FEAB c1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(CC2CCCCC2)C1 2055796120 YHBWZVCDBSYVAQ-NRFANRHFSA-N 372.513 2.367 0 40 FEAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(C)no4)ccn3n2)cc1 1775968431 NNYDRHUVMXVYBE-UHFFFAOYSA-N 351.366 2.301 0 40 FEAB COc1cccc(OCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 40070930 WESUNHXFJZHYFY-CQSZACIVSA-N 372.396 2.382 0 40 FEAB CNC(=O)[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1 40152929 RLEADACESRIQSN-GOSISDBHSA-N 356.447 2.380 0 40 FEAB O=C(CSc1ncn[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8154839 WRIGMCYXNVUGRU-UHFFFAOYSA-N 371.388 2.264 0 40 FEAB O=C([C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1)N1CCOCC1 8116359 XGWNEUHQPDLUES-SFHVURJKSA-N 370.380 2.092 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 11543158 LEIBHRBMCZDFKY-INIZCTEOSA-N 359.403 2.200 0 40 FEAB O=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCc1ccccc1 1346773 RBXOMEDDLBBSIA-UHFFFAOYSA-N 366.446 2.497 0 40 FEAB Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1N 2247074 QRFKDIQWOFPJKK-UHFFFAOYSA-N 366.812 2.464 0 40 FEAB O=C(O)[C@@H]1[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2583054 NQSYYVTUCHIRTM-MSOLQXFVSA-N 353.374 2.455 0 40 FEAB CCC(CC)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 3505962 XPZRPIBGUITHJU-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967572 ZCSDJVGKLBEGCJ-WBVHZDCISA-N 374.481 2.394 0 40 FEAB NS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3c2O)c1 32914502 HSKSZHXVAQHDGI-UHFFFAOYSA-N 356.403 2.123 0 40 FEAB COC(=O)CCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 32991027 ZCGAJCCQHQOWAD-UHFFFAOYSA-N 351.790 2.392 0 40 FEAB Cc1cc(O)n2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)nc2n1 102726565 DJNIDXINBAQERQ-UHFFFAOYSA-N 365.437 2.162 0 40 FEAB COc1cccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1OC 33162020 WXVYJUUMIDIDIG-PTNGSMBKSA-N 365.414 2.383 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1C 9919342 UFHAVFVAKNVZNO-ZDUSSCGKSA-N 362.451 2.450 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCN(Cc3ccccn3)CC2)n1 46742491 STVUOOLXKNRVGY-UHFFFAOYSA-N 357.458 2.255 0 40 FEAB Cc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)on1 22228021 BYZXDTPFERIOMW-UHFFFAOYSA-N 359.411 2.053 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 107224541 XYGRHSGZEDFHEY-RXVVDRJESA-N 358.482 2.416 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccccn3)CC2)CN1Cc1cccnc1 108534633 XNNYKFZEPBWXKP-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB Cc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 42267140 URZXLJUZLGKAAB-VMPITWQZSA-N 359.403 2.285 0 40 FEAB COc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCCC1)CN2 12371799 CBOUGJRTSWHQAN-UHFFFAOYSA-N 356.426 2.052 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc(F)c1 22251513 TXHMHAJXKUQAME-UHFFFAOYSA-N 352.387 2.482 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1O 982522 XHJKGUCUFRRNHQ-ITTMYVLYSA-N 351.380 2.389 0 40 FEAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 47478824 OUZUOLAKYUOCMH-NSHDSACASA-N 371.422 2.099 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccccc1F 28913031 CIQJTBFPMUWPTO-KXBFYZLASA-N 356.353 2.089 0 40 FEAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1 12563423 CVVXJPGKJSKYIB-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207589 MXCFCZGGBSKHHC-UHFFFAOYSA-N 356.488 2.321 0 40 FEAB CCOC(=O)CSc1nnc(CC(=O)Nc2ccc(C)cc2C)n1C 57291886 QOOHJVDRTQFGPC-UHFFFAOYSA-N 362.455 2.268 0 40 FEAB CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 58203040 JLKIPGFVYVHURQ-AWEZNQCLSA-N 369.259 2.206 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21)n1cccn1 58377871 NETOLLUJXMWORX-YJBOKZPZSA-N 354.454 2.439 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 23912680 AMBMNTPTSBLUKW-HZPDHXFCSA-N 370.405 2.143 0 40 FEAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 2231465 SHMUOWBKXVZUEP-GXSJLCMTSA-N 373.482 2.273 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccc2ccccc2c1 12794726 HRDFFDAMNPSELU-SUMWQHHRSA-N 351.406 2.444 0 40 FEAB CC(C)N(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 11036689 HLBSFQYUJFQTNT-IBGZPJMESA-N 367.449 2.177 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCn2c(=O)n(C)c3ccccc32)C1 48269602 IMXJAYSVWZVFDI-CALCHBBNSA-N 372.513 2.214 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 8378065 WMNOBDCWUJGZOS-UHFFFAOYSA-N 369.446 2.243 0 40 FEAB Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 3444213 IOUFTDKKOHIRFP-KRWDZBQOSA-N 358.419 2.451 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC2CCCCC2)c1C 3543405 VBILCDCDPQKRAW-UHFFFAOYSA-N 350.415 2.271 0 40 FEAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)N1CCN(c2ccccc2)CC1 13688118 JWHKSEZXFNATTQ-UHFFFAOYSA-N 365.433 2.069 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc([C@@H]3CCCO3)n[nH]2)cc1 14085703 CUWJIZDAWIZBQS-RISCZKNCSA-N 362.455 2.462 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCCCC3)c1C 14086741 YXEDFTDHDPXDNA-UHFFFAOYSA-N 359.430 2.056 0 40 FEAB CC(C)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC(N)=O 5448376 GBWNTYZRVYELOV-LLVKDONJSA-N 367.862 2.447 0 40 FEAB COc1ccccc1NC1=N[C@H](c2cccnc2)n2c(nc(C)cc2=O)N1 5488368 YCYHVDMYGGMKNI-KRWDZBQOSA-N 362.393 2.396 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(C=O)[C@@H]2CO)ccc1O 14435294 PATMJUOZIPKVAS-MGPUTAFESA-N 356.374 2.451 0 40 FEAB biogenic COc1cc(/C=C/C(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC 5779703 YDJZXKRAPXRMDL-CMDGGOBGSA-N 363.410 2.328 0 40 FEAB COc1ccc(CN(C(=O)COc2ccc(C(N)=O)cc2)C2CC2)cc1 7467625 INCKZDXMPBVZHA-UHFFFAOYSA-N 354.406 2.364 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C 24060426 SWMXISBFRBMPDZ-UHFFFAOYSA-N 355.442 2.233 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408594863 PNVMZKNZTYMRRO-CQSZACIVSA-N 374.462 2.341 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCC(c2ccccc2)=N1 8923762 RQUHFDGGHNDQMJ-UHFFFAOYSA-N 368.437 2.268 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)SCC(=O)N3C)nn1C(C)(C)C 96007082 YFYZOFYMCWYIKO-UHFFFAOYSA-N 350.488 2.084 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSC(C)(C)C 9500119 HPNUKIBYCGGLLY-UHFFFAOYSA-N 360.501 2.416 0 40 FEAB Cc1ccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 19902152 OQUVTPIXIGNPGR-UHFFFAOYSA-N 359.514 2.440 0 40 FEAB Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1 72272908 HDJVYFBPRGJYBE-FUHWJXTLSA-N 359.401 2.105 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 89920482 LDOBHHJNGWXQKQ-CZUORRHYSA-N 354.454 2.431 0 40 FEAB CCOC(=O)CC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(F)cc1 95438377 KMWMAOKPHXRKNP-INIZCTEOSA-N 364.417 2.166 0 40 FEAB COc1ccc2c(COC(=O)[C@@H](C)N3CCSCC3)cc(=O)oc2c1 95443967 UNDBCDWKXQBHSS-GFCCVEGCSA-N 363.435 2.282 0 40 FEAB C[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 84838912 NEXBQDDVAPGEOR-ZDUSSCGKSA-N 368.474 2.077 0 40 FEAB CCc1oc2ccccc2c1CN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 78788515 ZQXVGVODZFVKTI-GFCCVEGCSA-N 350.440 2.324 0 40 FEAB CN1C(=O)NC2(CCN(c3ncnc4sc5c(c34)CCCC5)CC2)C1=O 89374637 ZUBVEZMYWHIZBO-UHFFFAOYSA-N 371.466 2.091 0 40 FEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](C)c3ccccn3)CCOCC2)o1 1547139510 RQYGCHOKUISCKO-AWEZNQCLSA-N 372.421 2.365 0 40 FEAB biogenic Cc1nc([C@H]2CCN(C(=O)Nc3ccc(Cn4cccn4)cc3)C2)n[nH]1 518136151 JJFUHJSCEQOMSW-HNNXBMFYSA-N 351.414 2.379 0 40 FEAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72360067 UIZGRENQIMOYAR-MRXNPFEDSA-N 368.485 2.500 0 40 FEAB Cc1cc(CNC(=O)Nc2cccc(F)c2C)nc(N2CCOCC2)n1 224228583 OQRGAFHPJATEHU-UHFFFAOYSA-N 359.405 2.391 0 40 FEAB O=C(COc1ccccc1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386090 NGMTUKNSAJCABH-KRWDZBQOSA-N 350.374 2.243 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCC2CCCCC2)cc1 224193415 UBRGWEHRPXBODH-UHFFFAOYSA-N 353.488 2.239 0 40 FEAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1nc(C(C)(C)C)cs1 330645918 INXXBROOZCYSSK-LLVKDONJSA-N 373.544 2.289 0 40 FEAB CSc1ncccc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104254 KJMMGMWYENPVOK-UHFFFAOYSA-N 366.439 2.241 0 40 FEAB COC(=O)c1nc(NC(=O)COc2c[nH]c(C)cc2=O)sc1C(C)C 95473284 DGQQRRODYRZULK-UHFFFAOYSA-N 365.411 2.067 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)NCc1ccccn1 96205815 XNTLNZARBQCQAS-BEFAXECRSA-N 357.479 2.298 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)s1 248117782 JCUQQTJPDSCRIC-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cscn2)C3)n1 247883865 SFEAREAMSSDMSU-OAHLLOKOSA-N 359.451 2.437 0 40 FEAB O=C(CN1CCCC1)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257213701 CISKYNIHKBJTEM-GOSISDBHSA-N 367.453 2.216 0 40 FEAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1)c1cn(C)c3cccc(c13)N2 604419353 DNFQVWYVCJRSRR-KRWDZBQOSA-N 361.405 2.112 0 40 FEAB CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@H](OC3CCC3)C1)CC2 654523281 UAJWQKYJXGGAQK-ZBFHGGJFSA-N 361.490 2.459 0 40 FEAB C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC=CCC1 655454532 QQEWYFVYAWFMSH-VBKZILBWSA-N 356.422 2.426 0 40 FEAB COc1cccc(N2CCN(Cc3ncccc3C(=O)O)[C@H](C)C2=O)c1 65387942 VHDONXJUZLHZPH-CYBMUJFWSA-N 355.394 2.026 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](OC)c2cccc(F)c2)cc1 96388753 GDQTUCVBEHFLDA-INIZCTEOSA-N 374.368 2.055 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 585108236 AVBDMWYRUOXKDA-CGTJXYLNSA-N 371.412 2.452 0 40 FEAB COc1ccccc1OCC(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522731 YKKALIBWFGBSTB-OAHLLOKOSA-N 350.484 2.114 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1S(=O)(=O)NC1CC1 75105484 KEURDQVKTDOMSC-INIZCTEOSA-N 366.483 2.444 0 40 FEAB Cn1cc(CN2CCCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)cn1 1615162078 SGBKXHQQPTWXRX-VQTJNVASSA-N 373.497 2.139 0 40 FEAB CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CC2)C1 19703518 JOCSCSBVLALVNP-HXUWFJFHSA-N 353.422 2.401 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2 5056117 SCEMEIVFICIFDK-UHFFFAOYSA-N 351.428 2.298 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 11360456 JSGVZXPXJGPZSS-UHFFFAOYSA-N 370.434 2.378 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CN2CCCCCC2=O)cc1 11383474 GIORUROFQSEIIU-CQSZACIVSA-N 360.410 2.162 0 40 FEAB Cc1ccc2oc(=O)n(CC(=O)NCCN3CCc4ccccc43)c2c1 12148421 WDEMDVYBJVXCJJ-UHFFFAOYSA-N 351.406 2.082 0 40 FEAB CCn1c(C)cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1C 19353427 DFHCBASIYXTHQG-UHFFFAOYSA-N 366.439 2.008 0 40 FEAB O=C(c1ccncc1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375663 IYGUZMMSUFBIRO-AWEZNQCLSA-N 370.434 2.147 0 40 FEAB CC(C)[C@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C(C)C)CC3 19445317 SPUFFRHZFCWDJS-HNNXBMFYSA-N 370.497 2.437 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)N3CCCCCC3)C2)s1 19747195 XVWNEISNTYVLIZ-CQSZACIVSA-N 351.472 2.004 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccccc1 19930465 GOXJTGGITLLGNK-UHFFFAOYSA-N 358.463 2.376 0 40 FEAB C[C@@H](NC(=O)CN1CCN(c2ccccc2O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 589053620 DOEHRFPFUGMHNU-OWSLCNJRSA-N 357.498 2.455 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(S(=O)(=O)c2cccnc2)C3)nc1 1888869559 WNLUZWYVDJRUOU-YJBOKZPZSA-N 374.466 2.050 0 40 FEAB Cc1ccccc1CC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 1848352459 SLGDCVIHMAZALE-GOSISDBHSA-N 352.425 2.232 0 40 FEAB COc1ncccc1C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986008 OKCYRQSONSEJJX-UHFFFAOYSA-N 354.410 2.002 0 40 FEAB CCCc1cc(C(=O)N2CCOC[C@](COc3ccccc3)(OC)C2)n[nH]1 2037938492 FDTLKZVHPZCUMU-HXUWFJFHSA-N 373.453 2.299 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)C3CC(F)(F)C3)C1)CC2 1614937241 LEDQNRYROXMLLL-KRWDZBQOSA-N 351.397 2.152 0 40 FEAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCCCCC3)cnc21 4479002 YIDLMJLXRPAZAJ-UHFFFAOYSA-N 365.437 2.293 0 40 FEAB CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1 9661161 JVVICRGLZXMTBX-UHFFFAOYSA-N 351.345 2.407 0 40 FEAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2cccs2)cc1 13854492 YQLSWLXEIKEAOJ-UHFFFAOYSA-N 373.478 2.431 0 40 FEAB O=C1Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]12 1857762428 WXUZPFXDYNLMFQ-INIZCTEOSA-N 369.808 2.259 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)CCc2ccccc2F)C[C@H]2OCC[C@H]21 2055746427 CSHCWXCBYVPTJO-JENIJYKNSA-N 374.456 2.148 0 40 FEAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC(c2nc(-c3ccccn3)no2)C1 49031941 CPIGTHMDERFDQN-UHFFFAOYSA-N 362.349 2.354 0 40 FEAB Cc1nc(NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c2cnn(C)c2n1 585149295 GYLABVDSLOBSQY-VIFPVBQESA-N 366.351 2.000 0 40 FEAB Cc1cccc(OCCCNC(=O)c2nn(C)c(=O)c3ccccc23)c1 40012236 ANACTZAGKGWOJW-UHFFFAOYSA-N 351.406 2.441 0 40 FEAB CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C)nc3)cc2)CC1 40115248 AHAUTXRKNYEPMB-UHFFFAOYSA-N 352.482 2.458 0 40 FEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100330822 VDLJGIWRIFOWCQ-NAKRPEOUSA-N 373.718 2.043 0 40 FEAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20477291 VTTDXXOGGVIDDA-STQMWFEESA-N 359.426 2.311 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1 6057367 CBKMQQUBYHGOMD-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CN1CCc2sccc2C1 58823534 KUJMBEZIRBGFER-MRXNPFEDSA-N 373.478 2.007 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O 29603344 DCKGDEURRXTVDU-MRXNPFEDSA-N 372.362 2.108 0 40 FEAB COc1ccc(OCCN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 8512117 IODCWXQYTCJIEQ-UHFFFAOYSA-N 351.424 2.403 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3ccccc31)C2=O 2660116 DYKSRYDOKYDEHW-UHFFFAOYSA-N 355.438 2.467 0 40 FEAB N=c1c2ccsc2[nH]c(=O)n1NC(=O)c1ccc(Br)cc1 103274525 OQQQMWOFKSYTHN-UHFFFAOYSA-N 365.212 2.017 0 40 FEAB O=C(COC(=O)[C@H]1CC=CCC1)NCc1ccc(C(=O)N2CCCC2)cc1 22436410 FNXQGBNYLCUNQZ-SFHVURJKSA-N 370.449 2.438 0 40 FEAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(CN2C(=O)CNC2=O)cc1 11986146 YSIUCTGLMFDNEI-UHFFFAOYSA-N 370.434 2.326 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]4[C@@H]4[C@@H]([C@@H]53)[C@]41C)C2 104291251 GITSGAOIQHAXTO-NGVHHBPMSA-N 353.466 2.436 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51134388 MTBGOYJPOKAOBE-ZDUSSCGKSA-N 359.451 2.225 0 40 FEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 101582108 ZJFPRBGVMNPBBS-AUTURXRWSA-N 350.418 2.295 0 40 FEAB CCC(CC)[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccs1 56008155 BSAABANQKSWBNG-INIZCTEOSA-N 373.482 2.485 0 40 FEAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 12374040 NSOBZBDLQHYETK-ZDUSSCGKSA-N 367.453 2.267 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1 35310682 MABJZACJYQVVPZ-UHFFFAOYSA-N 369.465 2.218 0 40 FEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COc1ccc(C)cc1 57386074 GCYAJCHUUJWDJM-INIZCTEOSA-N 367.449 2.493 0 40 FEAB Cc1cc(=O)n2nc(CN3CCN(Cc4ccccc4C)CC3)sc2n1 22775701 IHLJCGHTRIQQRC-UHFFFAOYSA-N 369.494 2.086 0 40 FEAB CNC(=O)COc1cccc(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 58099247 HXRNWHYRUWZTBC-UHFFFAOYSA-N 366.368 2.201 0 40 FEAB CCn1c(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc2ccccc21 58065243 DGPRTUUCDDJTHQ-KRWDZBQOSA-N 369.465 2.372 0 40 FEAB O=C(NCCc1cccc(F)c1)c1cccc(N2CCCS2(=O)=O)c1 10135076 XEOUMVUZKADSOY-UHFFFAOYSA-N 362.426 2.338 0 40 FEAB Cc1cc(C)nc(SCC(=O)N[C@@H](Cc2ccccc2)CN(C)C)n1 58246498 BRPQPUSBEVFSBD-KRWDZBQOSA-N 358.511 2.475 0 40 FEAB CCCCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCOCC1 3236015 MARYFHOKANYNNF-UHFFFAOYSA-N 372.443 2.065 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 10749947 JQPHFKCTQXCWNH-AAEUAGOBSA-N 352.818 2.469 0 40 FEAB CN(C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 17794392 MDMAUDASLTWUOD-GOSISDBHSA-N 368.412 2.024 0 40 FEAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(c2ncccn2)CC1 12750982 USTSMLRLGNLLAV-NSCUHMNNSA-N 372.812 2.221 0 40 FEAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](C(F)(F)F)C1 48309490 IYYOVRLHVHYGKS-UONOGXRCSA-N 353.348 2.258 0 40 FEAB CCc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)cc1 306135270 OMDJDZDZECAPOP-ROUUACIJSA-N 367.497 2.283 0 40 FEAB C[C@@H](CNC(=O)Nc1ccc(F)cc1Br)N1CCOCC1 48451732 LRFKVBXOUBVWHM-JTQLQIEISA-N 360.227 2.430 0 40 FEAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 8654145 NDLAAKPXMNZVFC-UHFFFAOYSA-N 353.426 2.021 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c(C)c1 12921508 BHBZEYNSVFFZQF-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 12986495 APRVLYXJEDHLGA-GOSISDBHSA-N 353.378 2.398 0 40 FEAB O=C(Nc1ccccc1O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13005420 AEHHPUGIRFFWFQ-LBPRGKRZSA-N 354.362 2.155 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 13171266 WPCONENPQHYQGZ-PCAWENJQSA-N 351.786 2.448 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)Cc1ccco1)C2=O 39543969 IWGYIRVFRZCSJH-BFUOFWGJSA-N 361.442 2.375 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NC(C)C 14239410 YHMCXOXBVSFXTN-AWEZNQCLSA-N 358.529 2.228 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1cccc(F)c1)C2=O 8940740 YAOLPMBUFQQZAN-YJYMSZOUSA-N 361.417 2.285 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c(OC)c1 7057312 ZNKPRPAGEALCJN-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB Cn1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 7067775 SJZIWLHXKNUXOB-UHFFFAOYSA-N 359.389 2.431 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1 7378706 POMTZRPVPMOIFJ-UHFFFAOYSA-N 351.428 2.167 0 40 FEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 15843071 ZAYQEPZRCFHPDY-UHFFFAOYSA-N 372.446 2.319 0 40 FEAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1 9238695 OFVRLJSGYGIOPS-JKSUJKDBSA-N 373.482 2.367 0 40 FEAB COc1ccc2nc(NC(=O)CSc3nnnn3C3CC3)sc2c1 8232392 NMYPTKVPDSPGSY-UHFFFAOYSA-N 362.440 2.357 0 40 FEAB O=C(Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1)N1CCOCC1 8297956 QCQDGIDJMQPKRC-UHFFFAOYSA-N 371.462 2.338 0 40 FEAB C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 9638846 RYYGIHRTLJDSAR-SNVBAGLBSA-N 368.418 2.141 0 40 FEAB CCc1nsc(N2CCCN([C@@H](C)C(=O)Nc3nccs3)CC2)n1 72905913 ZUDLPCLXHBMBEO-NSHDSACASA-N 366.516 2.096 0 40 FEAB Cc1nc(C2(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCCC2)no1 78075970 TZDFZLBGHBDCNE-KRWDZBQOSA-N 370.453 2.165 0 40 FEAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1CC(=O)N(C)C 95999906 YBSXIEHLCHCIMJ-QGZVFWFLSA-N 360.433 2.090 0 40 FEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C[C@H](O)c2cccc(F)c2)cn1 89333132 UYYSGQGXMSTDOY-WMZOPIPTSA-N 359.401 2.247 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C[C@H](O)[C@@H]3CCCO3)CC2)cc1Cl 79076142 WACBPIPXXLAMSM-IRXDYDNUSA-N 367.877 2.338 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)NCC[C@H](C)[S@](C)=O)C(C)C)cc1 89629654 SIYCAAXRGISBRY-FMTLSIPGSA-N 352.500 2.023 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 79501574 WUDFVYCPBLMLAC-OLZOCXBDSA-N 352.866 2.420 0 40 FEAB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C 22010630 XRCMSKXVQYEFOZ-NRFANRHFSA-N 362.385 2.388 0 40 FEAB in-vitro O=C(Nc1nc(C(=O)NCCOc2ccccc2)co1)c1ccncc1 211072706 UNDLRYFCGOXCPJ-UHFFFAOYSA-N 352.350 2.131 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 79440177 PVEVAFPYOJNCBV-XJKSGUPXSA-N 362.426 2.342 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2cccc(Cl)c2)nc(=O)[nH]c1C 31618364 BYJKDHIEKALGIK-UHFFFAOYSA-N 367.814 2.249 0 40 FEAB CCn1nc(C)c(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C 72336834 SRIURUOZESFNAR-UHFFFAOYSA-N 364.453 2.223 0 40 FEAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccc2c(c1)OCO2 72324403 HYPATCBQBSCCEY-CYBMUJFWSA-N 369.421 2.059 0 40 FEAB CCCS(=O)(=O)N1CCC(C(=O)NCCc2cccc(Cl)c2)CC1 49462014 NNBJVHSHDXJPHH-UHFFFAOYSA-N 372.918 2.451 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1 48020461 ZLBBBSPZBFGIIN-HUUCEWRRSA-N 363.458 2.484 0 40 FEAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 224851708 NGWVQVNBALJEBC-UHFFFAOYSA-N 365.407 2.072 0 40 FEAB Cc1ccc(C)c(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 224007303 FRDPXGFCJYJLCD-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1nccn1CCN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 77120673 MUVZNGMQROKVCB-UHFFFAOYSA-N 351.454 2.060 0 40 FEAB CC(C)CN1C[C@@H](C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)CC1=O 95477037 XFWFTDHIORLASW-AWEZNQCLSA-N 370.453 2.420 0 40 FEAB Cc1cccc(Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)c1 98213065 XTPROKNLHSPYML-UHFFFAOYSA-N 366.396 2.197 0 40 FEAB CNC(=O)N1CCc2cc(C(=O)NCC3CC3)c(NCC(C)C)nc2CC1 96260538 WCICNCWDCILQFV-UHFFFAOYSA-N 373.501 2.029 0 40 FEAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCc2onc(C(=O)O)c2C1 579697536 SGURSFDBGJAHCW-UHFFFAOYSA-N 356.787 2.082 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)sc1C 95474599 IDQOIPAXPWAYNO-UHFFFAOYSA-N 374.426 2.231 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1 96225811 KUBOFDBCPZNTDR-OAQYLSRUSA-N 364.449 2.427 0 40 FEAB COCCNC(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1 96143924 CWYFGOKHCONNLC-IFMALSPDSA-N 366.461 2.449 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)CN1c1ncccn1 96051824 KBVOXTCERRGEOL-INIZCTEOSA-N 367.453 2.019 0 40 FEAB O=C(c1cccnc1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239684 QXSIYRZUYPLJSX-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB CC(C)c1scnc1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 580638697 ZWTKTQVWLPCZRO-LBPRGKRZSA-N 356.455 2.636 0 40 FEAB COc1ccc(OCc2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 95533832 JHWXTMXMMUQSEY-GOSISDBHSA-N 370.409 2.458 0 40 FEAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C 247935198 RWMWZYUBRKBXMG-WIYYLYMNSA-N 371.481 2.319 0 40 FEAB CCn1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c1C 257309792 UCKIZMZRTDKXDP-LPHOPBHVSA-N 368.485 2.100 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccc(C)nc2O)ccn1 257342063 ZMXVLVDEXFEULZ-KRWDZBQOSA-N 354.410 2.104 0 40 FEAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1nc2ccccc2s1 253472464 MOJAFVFZESWEMH-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCc1c(C)noc1C 257208708 BNINUJVQGGKUBL-INIZCTEOSA-N 358.442 2.183 0 40 FEAB CN(Cc1cn2cc(Br)ccc2n1)C1(CO)CCOCC1 683040965 VLSFDNULKYNORG-UHFFFAOYSA-N 354.248 2.070 0 40 FEAB Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)c1ccnc(F)c1)C2 585110940 DGBMIVCLEYMZJX-HNNXBMFYSA-N 367.384 2.168 0 40 FEAB Cc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2n2cc(C3CC3)nn2)c1 685942483 UCAWGSJAZQIODA-INMHGKMJSA-N 354.410 2.298 0 40 FEAB c1cc(CSc2nnc(N3CCOCC3)s2)c2c(c1)OCCO2 63563388 UYICEYOTSBGIQR-UHFFFAOYSA-N 351.453 2.438 0 40 FEAB CN(C(=O)COC(=O)c1ccc(I)cc1)C1CC1 63901588 YCLVDBBALGMQLO-UHFFFAOYSA-N 359.163 2.069 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)cc1Cl 96097693 SGAXQTLKLHIXIL-CYBMUJFWSA-N 351.877 2.149 0 40 FEAB N[C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 652384245 UROWPNSDGLNQMS-BRWVUGGUSA-N 356.463 2.016 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1 11744319 VIRSELVEYDASFQ-UHFFFAOYSA-N 353.357 2.266 0 40 FEAB C[C@]1(NC(=O)CCCSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 12535770 LUPULLCQQHRSNS-INIZCTEOSA-N 367.496 2.129 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cn1 19715502 KAIYJOWMNMWRQR-CYBMUJFWSA-N 370.432 2.329 0 40 FEAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)CC1 583623100 MATSITZHFYNEHX-ZDUSSCGKSA-N 368.380 2.201 0 40 FEAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)OC(=O)N(CC(F)F)C2=O 1889023476 XRDHUHAPNKXISB-UHFFFAOYSA-N 371.315 2.436 0 40 FEAB Brc1cnc(N2CCC(COc3cnccn3)CC2)nc1 1889092477 PUMXMLWDOBDHLT-UHFFFAOYSA-N 350.220 2.325 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1166020488 KNXFWOGRNUZNMG-IYBDPMFKSA-N 370.478 2.111 0 40 FEAB COc1ccc(F)c(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037983921 LAHGPXHICISGEJ-LJQANCHMSA-N 350.434 2.294 0 40 FEAB CC(C)N1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@H]2C1 1565546488 CYNQTWPAQFGFJO-HNAYVOBHSA-N 357.454 2.328 0 40 FEAB Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)nn12 5141905 LOFPLWQSBYLWHL-UHFFFAOYSA-N 366.406 2.296 0 40 FEAB COc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)c(OC)c1 11738631 YWQPCWJSHPGUSQ-UHFFFAOYSA-N 362.411 2.183 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482949 VYCHHEAPQONJGT-UHFFFAOYSA-N 355.785 2.349 0 40 FEAB O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCSCC1 2298184017 IKIGWJBKGRMNHN-UHFFFAOYSA-N 360.405 2.287 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 33608860 RMKXTCANSGMDLJ-UHFFFAOYSA-N 363.845 2.457 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](CC)N2CCCC2)cc1 40090057 JXMWAEBMCGEFNF-HNNXBMFYSA-N 354.472 2.016 0 40 FEAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 40092018 RGGWMVVABUYSRJ-UHFFFAOYSA-N 370.497 2.493 0 40 FEAB O=C(CNc1ccccc1C(=O)N1CCC[C@H](O)C1)Nc1ccccc1F 40135376 ORIXYYHJHIHTJM-AWEZNQCLSA-N 371.412 2.473 0 40 FEAB O=C(CNc1ccccc1C(=O)N1CCC[C@@H](O)C1)Nc1ccccc1F 40135377 ORIXYYHJHIHTJM-CQSZACIVSA-N 371.412 2.473 0 40 FEAB O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 30800309 FMNVJVRXNMKLIA-OAHLLOKOSA-N 368.433 2.380 0 40 FEAB COc1ccccc1OCCNC(=O)CCCn1c(C)csc1=O 31244787 TUAYJFWUYIDRMI-UHFFFAOYSA-N 350.440 2.202 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 2447933 GINAMBSTFGIEKU-UHFFFAOYSA-N 367.434 2.469 0 40 FEAB CCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 3189677 VOMCLQFPGCWATF-UHFFFAOYSA-N 368.499 2.019 0 40 FEAB CCOCCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741347 AKDVRPUUKZHDFX-LBPRGKRZSA-N 368.503 2.340 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6680350 JKJNRARWGVDSJQ-UHFFFAOYSA-N 368.436 2.339 0 40 FEAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 6964508 MPWHSSGSIQCMON-UHFFFAOYSA-N 363.464 2.078 0 40 FEAB CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)c2ccc(Br)cc2)C1=O 101888372 DITVAIKMFBTXTR-MFKMUULPSA-N 367.243 2.205 0 40 FEAB CCOC(=O)N1CCC(NC(=O)C[C@@H](NC(C)=O)c2cccs2)CC1 21440449 HPQACGBEWBUORR-CQSZACIVSA-N 367.471 2.053 0 40 FEAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccco3)CC2)nc(C(C)C)n1 29632149 JFTSGEXCQUQGRZ-UHFFFAOYSA-N 371.485 2.282 0 40 FEAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@]3(C)C(=O)O)cc1 102347372 QBWUAYJCHYZDMT-IBGZPJMESA-N 364.361 2.164 0 40 FEAB CCS(=O)(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 100687597 ARAMIPIZFUDQEW-GASCZTMLSA-N 356.536 2.037 0 40 FEAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2C=C[C@H]1CC2 102614357 DNEIWPBFXZVYKF-LWYYNNOASA-N 368.477 2.286 0 40 FEAB O=C(NCCN1CCOCC1)c1ccccc1SC[C@@H]1CCCO1 52893789 CKUAWCPNTWWCNR-HNNXBMFYSA-N 350.484 2.020 0 40 FEAB COCCn1nc(C(=O)N(C)Cc2ccc3ccccc3c2)ccc1=O 21927021 UWIHXZYUJPXCBF-UHFFFAOYSA-N 351.406 2.315 0 40 FEAB Cc1ncc(CN(C)S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)s1 56106760 RZOWNZFZMVCFTQ-UHFFFAOYSA-N 369.443 2.296 0 40 FEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC(c2ccccc2)=N1 22367836 YCXBEOLYLPQOJQ-UHFFFAOYSA-N 351.193 2.187 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c(C)c3)C2=O)o1 107958402 RYFNXBFSCDEKSM-ZROIWOOFSA-N 370.361 2.476 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 104111023 CDZSCIZXDYGLNO-CYBMUJFWSA-N 355.419 2.138 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H](C1)C2N1CCCCC1 100769043 PTTDDYBFLZQIBB-HOTGVXAUSA-N 366.531 2.004 0 40 FEAB COc1ccc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 840139 JNEBXGKGODHUII-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB COc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100737769 ZVIUSRGZALYVBV-ROUUACIJSA-N 369.465 2.118 0 40 FEAB CC(C)Oc1ccc(CCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 42720764 UBOMGPVQXNDTDL-MRXNPFEDSA-N 371.524 2.053 0 40 FEAB CN1CCO[C@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)C1 105471854 HQXTWKSMKCAPQP-HXUWFJFHSA-N 363.465 2.355 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 108533770 AGJCKXRJOVCAJU-CQSZACIVSA-N 352.504 2.236 0 40 FEAB COC(=O)CSCc1nnc(C(=O)NCc2ccc(F)cc2)s1 26035940 DIPOTAABCLMJNZ-UHFFFAOYSA-N 355.416 2.013 0 40 FEAB C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)n1cccn1 44668443 QEEPGQULZPUQTN-MLJWKTOOSA-N 370.434 2.297 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)CCO1 58191978 OWNDGFSHTMRZQS-ZDUSSCGKSA-N 367.862 2.045 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)c1 36071113 AGGJFTGTVFCBOW-GOSISDBHSA-N 356.447 2.125 0 40 FEAB O=C(Nc1ccc(Br)cc1)C1CCN([C@@H]2CCOC2=O)CC1 58227441 FJAHTLIVRXMZSB-CQSZACIVSA-N 367.243 2.415 0 40 FEAB O=c1[nH]c2ccccc2c(=O)n1C[C@H](O)c1ccccc1C(F)(F)F 69172367 VLHXFFMZKWVNEK-AWEZNQCLSA-N 350.296 2.442 0 40 FEAB O=C(COc1ccc(F)cc1Br)NCCCN1CCCC1=O 3277380 CMKPKGARIXXDMM-UHFFFAOYSA-N 373.222 2.096 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(F)cc2)c1 36392027 AIYJMJXBUXNENC-UHFFFAOYSA-N 364.442 2.371 0 40 FEAB Cc1oc(C)c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1C 12755406 XTCZMVWDGMOJBA-GOSISDBHSA-N 355.438 2.189 0 40 FEAB CC[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(C)cc1 69288585 KPMFXVGRNSPNAR-MRXNPFEDSA-N 350.484 2.154 0 40 FEAB CCCCCNC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 13021143 VCGMPFOOLKDUON-UHFFFAOYSA-N 353.488 2.329 0 40 FEAB Cc1c(C(=O)NC[C@@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 13009155 PIBLCPPEPMRTAH-LBPRGKRZSA-N 361.467 2.402 0 40 FEAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C 49548335 XOPYSVKDVJUHDD-QGZVFWFLSA-N 369.421 2.051 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O 4250583 MWYFPNAQNTVJAJ-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccoc2C)c(=O)[nH]c1=O 14122478 HMXHFFWMNDSFRE-UHFFFAOYSA-N 362.430 2.123 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 6652195 AGKWIFCYFAQIGE-UHFFFAOYSA-N 372.446 2.376 0 40 FEAB Cc1ccccc1CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 22816766 BNCFQGRJFWIOEW-UHFFFAOYSA-N 355.482 2.389 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 71328793 FPOIDXGBOMOFHP-KUHUBIRLSA-N 373.478 2.125 0 40 FEAB Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)Nc1ccccc1 409408942 FGRHTWHMZNJZMH-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCOC1=O 67988216 KOQZDZIFCMMAAC-OLZOCXBDSA-N 360.366 2.257 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccccc1F 7544930 WOVSHMIMBQSIIE-UHFFFAOYSA-N 369.190 2.270 0 40 FEAB CN(C)c1nc(N)nc(CSc2nc(C3CC3)nn2-c2ccccc2)n1 9316020 FMVRRQOCLARQRY-UHFFFAOYSA-N 368.470 2.270 0 40 FEAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)Nc1sccc1C(N)=O 9497819 XSWAXNXQPODCST-JTQLQIEISA-N 372.402 2.193 0 40 FEAB CNC(=O)c1cc(N(C)S(=O)(=O)c2ccc3ccccc3c2)ccn1 83882262 SRIDKTWUIYUYBF-UHFFFAOYSA-N 355.419 2.420 0 40 FEAB C[C@H](N[C@H](C)Cn1cc(Br)cn1)c1nnc2n1CCCC2 97017156 JDAJPYZKUWLVFS-MNOVXSKESA-N 353.268 2.313 0 40 FEAB COCCn1ccc2c(NC(=O)c3cc(=O)c(OC)cn3C)cccc21 72325473 JRFZGLYTYKRLFW-UHFFFAOYSA-N 355.394 2.247 0 40 FEAB biogenic Cc1nc(NC(=O)CCCCCN2C(=O)c3nccnc3C2=O)sc1C 72402446 NKTSMRQWKWBKOX-UHFFFAOYSA-N 373.438 2.345 0 40 FEAB CC(C)CN1CC[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 84544246 MUECVXYCNFLRSF-QGZVFWFLSA-N 359.470 2.075 0 40 FEAB O=C(NCCCN1CCCC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 95460999 PBERRHWTZXJCNO-MRXNPFEDSA-N 360.506 2.337 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)NCC[C@@H](C)[S@](C)=O)C(C)C)cc1 89629646 SIYCAAXRGISBRY-BEWRWRNKSA-N 352.500 2.023 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1 22229599 BAEJGBKPEGHYGZ-INIZCTEOSA-N 366.483 2.216 0 40 FEAB CCOc1c(Br)cc(/C=C2/NC(=S)NC2=O)cc1OC 33560965 GUYQHSKZOGVMQC-WEVVVXLNSA-N 357.229 2.202 0 40 FEAB COc1nc(C)nc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)c1C 548661862 RTJHPEUCFOQPNT-QGZVFWFLSA-N 361.471 2.109 0 40 FEAB O=C(O)[C@H](CO)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648959 TZBZYQCXKZBVEK-YNYSXPKMSA-N 361.803 2.126 0 40 FEAB CN(C1CCCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 32804287 HQDUZQBFNHEGJG-UHFFFAOYSA-N 351.877 2.307 0 40 FEAB CN1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)C3CCCCC3)n2)CC1=O 72352041 CGLRRNLDDYPAFW-HNNXBMFYSA-N 373.501 2.027 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)C1CC1 570311790 WOYUIASFCQAKOL-INIZCTEOSA-N 354.410 2.454 0 40 FEAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)nn1 572605775 YEMINRQIRMHTMQ-GFCCVEGCSA-N 357.345 2.074 0 40 FEAB COc1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1OC 224205813 GHFGEMGHKXRPEW-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB COc1cccc(CN2C[C@H]3OCCN(C(=O)c4ccco4)C[C@H]3C2)c1 96108074 UYUXPTNGQBHJAE-VQIMIIECSA-N 356.422 2.261 0 40 FEAB COc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3cccnc3)C2)c1 96253360 NKEOJUGEQONHJM-CEXWTWQISA-N 353.422 2.318 0 40 FEAB CCN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)c1ccccc1O2 96079759 QUMJCAQMKQLAAQ-MRXNPFEDSA-N 350.484 2.447 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 245238679 YMLVJQDQZDAEFW-CLWJZODNSA-N 368.518 2.353 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1 257228161 FSORXABLTQBGRI-GOSISDBHSA-N 355.438 2.075 0 40 FEAB Cc1ccc(C(=O)CCC(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)cc1C 1615589105 JXRWXBGTVRMNLR-LNLFQRSKSA-N 372.465 2.113 0 40 FEAB CCn1cc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C)n1 623807421 CHVODFVCUUJEGV-UHFFFAOYSA-N 358.417 2.339 0 40 FEAB O=S(=O)(NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1CCOC1 657152171 KQENTEVGORNVAH-CQSZACIVSA-N 374.300 2.480 0 40 FEAB COc1cc(C(=O)N2CCc3ccccc3[C@@H]2CO)cc2c1OCCO2 677647606 OIUIPDWYNRYYSV-INIZCTEOSA-N 355.390 2.198 0 40 FEAB Cc1noc(-c2ccc(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2)n1 1256269448 HKIVFFOJCVMQEZ-CYBMUJFWSA-N 357.410 2.455 0 40 FEAB Cc1cc(F)c(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1F 1625434734 MDYBEZGZEVANIH-UHFFFAOYSA-N 366.345 2.251 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NC[C@H](OC)c1ccccc1C 96389545 ORJFECHLLAOZGM-SFHVURJKSA-N 356.422 2.124 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Cc3cccc(C)c3)[C@@H](O)C2)CC1 585280311 FFCDXGGPYLDJLM-UXHICEINSA-N 358.482 2.005 0 40 FEAB Cc1ncc(C(=O)N2CC3(C[C@@H](COCC4CC4)CN3CC3CC3)C2)[nH]1 585093751 BYPQQCCUMKYGPO-QGZVFWFLSA-N 358.486 2.071 0 40 FEAB C[C@H](c1ccccc1)n1cnnc1SCc1nc(N)nc(N(C)C)n1 53840509 ROZDRLOATZERME-LLVKDONJSA-N 356.459 2.013 0 40 FEAB NC(=O)[C@H](CNC(=O)CCc1cc(F)ccc1F)Cc1ccc(F)cc1 66051312 YUBHCVPCLPAHFG-AWEZNQCLSA-N 364.367 2.497 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc21 12577652 NTOOLKXDSWDFJL-KBPBESRZSA-N 366.421 2.336 0 40 FEAB COC(=O)c1ccccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12975398 HYNPIYNPEMZIGN-UHFFFAOYSA-N 366.377 2.374 0 40 FEAB OCCOc1ccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cc1 19374936 RRBFFWCJOKDTMJ-IBGZPJMESA-N 368.477 2.494 0 40 FEAB O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3ccncc3)CC2)no1 19405186 DZSXRBQBRBVTQZ-KRWDZBQOSA-N 370.453 2.358 0 40 FEAB CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529774 ZGZCDLPPASRPHK-KSVNGYGVSA-N 368.389 2.052 0 40 FEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1F 19819734 ARLNZABIYRYLNF-KRWDZBQOSA-N 372.396 2.358 0 40 FEAB O=C(N[C@@H]1CCSC1=O)c1cnc(OC2CCOCC2)c(Cl)c1 238874585 NSPDNEACRGMGPM-GFCCVEGCSA-N 356.831 2.055 0 40 FEAB O=C1N[C@]2(CCc3ccccc31)CCN(S(=O)(=O)c1ccc(F)cc1)C2 19375283 DSPQBBPSHNKJMJ-LJQANCHMSA-N 374.437 2.335 0 40 FEAB O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1 1463519 BXRYKGSDBYJOQJ-UHFFFAOYSA-N 351.453 2.183 0 40 FEAB O=C1[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888930609 ZCBPZRVBJOFCTJ-HOTGVXAUSA-N 358.401 2.251 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 25989478 RRXOOECVBKKPNL-DLBZAZTESA-N 370.380 2.471 0 40 FEAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nc1 238931824 VDJQPWGODSNKLQ-OAHLLOKOSA-N 360.435 2.167 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)CC1 2037909203 CQVADIHYKVDSDT-OAQYLSRUSA-N 374.481 2.068 0 40 FEAB COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 409001758 KCHILWVTFVSTGD-INIZCTEOSA-N 361.442 2.366 0 40 FEAB CN(C)CCN1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@@H]21 1565549483 XVVJZVNCFDBNEJ-ZBKUBXTQSA-N 363.527 2.015 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc1 1588104044 URLWAAXLCWVIOS-OAQYLSRUSA-N 366.417 2.449 0 40 FEAB CCN1CC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)CC1=O 2055796058 QQPOPVJXIRVYEY-UHFFFAOYSA-N 352.381 2.205 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)(C)C)C1 2055746519 ROHGPUYIAGGQCG-IBGZPJMESA-N 365.449 2.017 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC(N2CCc3sccc3C2)CC1 225689844 DOTYMKNHYLJDSQ-UHFFFAOYSA-N 363.508 2.355 0 40 FEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575617422 PUXUOJBOVAULBH-DOTOQJQBSA-N 374.510 2.376 0 40 FEAB CN(C)c1cc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)ccn1 2298074407 YHTQSZVEUAZUKS-AWEZNQCLSA-N 353.430 2.078 0 40 FEAB C[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)Cn1cccn1 50150239 JZQCXGNKZRANPI-MRXNPFEDSA-N 352.442 2.263 0 40 FEAB O=C1N[C@@]2(Nc3cc(Cl)ccc31)C(=O)Nc1cc3c(cc12)OCCO3 40155845 YSPNNIJXQATLPA-QGZVFWFLSA-N 357.753 2.072 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(F)c1 40143435 QVWSQXAPLYQSDG-GFCCVEGCSA-N 367.380 2.274 0 40 FEAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1 50518122 HSFKRUQQYTUULL-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB CC(C)(C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccccc1 91750920 IDWNEQVHYBRXSP-MRXNPFEDSA-N 351.406 2.353 0 40 FEAB O=C(Nc1ccccc1)N1CC2(CN1)CNN(C(=O)Nc1ccccc1)C2 1564065 MTJUOAHGSPNZQN-UHFFFAOYSA-N 366.425 2.077 0 40 FEAB Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)c1C 1623954 OMIVORHCWUVUHR-INIZCTEOSA-N 358.419 2.427 0 40 FEAB CCn1nc(C)c(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)c1C 2809661 YFDUMIYJZXMONS-UHFFFAOYSA-N 363.483 2.342 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 3352682 GSSDTDZLBIAWLF-UHFFFAOYSA-N 350.415 2.105 0 40 FEAB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC[C@@H]1CCCO1 21105456 LWWZSLCQYCBEHQ-INIZCTEOSA-N 357.406 2.302 0 40 FEAB CC(C)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 6510013 DNQFPCGRKUBYRU-UHFFFAOYSA-N 362.451 2.094 0 40 FEAB C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 60376004 VTAAROIQHIGHEA-SFHVURJKSA-N 357.797 2.406 0 40 FEAB CCc1nn2c(=O)cc(CSc3nnc(NC4CC4)s3)nc2s1 8155994 KHTFJPJXSIDNIV-UHFFFAOYSA-N 366.497 2.432 0 40 FEAB CCn1c(C)cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C 8282925 RMOMLFKYKUFQHC-UHFFFAOYSA-N 355.398 2.219 0 40 FEAB CCCN(C(=O)C(CC)CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8343071 AKKDCYRUACINIH-UHFFFAOYSA-N 372.469 2.346 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(-c3ccco3)on2)c1=O 10912540 XEAZYHKEZJORGG-UHFFFAOYSA-N 353.256 2.262 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1cccc(C(F)(F)F)c1 53113231 WCIWGHQOCPKKJT-JSGCOSHPSA-N 371.403 2.250 0 40 FEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c2cccnc12 53513487 MYTIVHKPLTVSLT-NWDGAFQWSA-N 361.829 2.379 0 40 FEAB COCCn1nnnc1[C@H](C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57613874 YFFIAVCPVRREGE-IBGZPJMESA-N 372.517 2.456 0 40 FEAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1 24527661 AWNMHRDYANHQRB-OAHLLOKOSA-N 363.870 2.386 0 40 FEAB Cc1ccc(N2C(=O)CN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408331 PEAYULXCONWGBZ-RBUKOAKNSA-N 370.474 2.009 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)cc12 25163919 DKYNJLLGBGUBOH-LBPRGKRZSA-N 365.393 2.029 0 40 FEAB CCOCCCNC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 25708424 KGUMTQOAPMDTSY-CYBMUJFWSA-N 357.497 2.122 0 40 FEAB CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)N1CCOCC1 26062227 CJMPJABXOYLFBO-RDJZCZTQSA-N 352.450 2.456 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 104346185 AQGACVVBZOGBKG-HNNXBMFYSA-N 364.829 2.247 0 40 FEAB CC(C)c1cc(C(=O)N2CCC(C(N)=O)CC2)c2cnn(C(C)C)c2n1 26535823 AFHOYYGIBDTSNV-UHFFFAOYSA-N 357.458 2.473 0 40 FEAB COc1cc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc(OC)c1 9154720 LKFTVGKPPDAKQR-GOSISDBHSA-N 356.378 2.456 0 40 FEAB CCOc1nnc(CN2CCC(C(=O)Nc3nccs3)CC2)s1 58163015 RRAJROMXTYAEBX-UHFFFAOYSA-N 353.473 2.244 0 40 FEAB CCC[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1 27631915 UBPBZZQLYVSXAF-GOSISDBHSA-N 353.470 2.256 0 40 FEAB COc1cc(/C=C/C(=O)NCc2cccnc2-n2cncn2)cc(OC)c1 58201993 BBXAYNWUFLFLCX-AATRIKPKSA-N 365.393 2.009 0 40 FEAB Cc1ccc([C@@H](CNc2cncc(-n3cccn3)n2)N2CCOCC2)o1 58297387 UUIVWXQFBZWSEO-OAHLLOKOSA-N 354.414 2.049 0 40 FEAB COc1ccccc1OCCNC(=O)N1CCN(c2ccccn2)CC1 58358148 IIWVHDAETDNTKO-UHFFFAOYSA-N 356.426 2.001 0 40 FEAB COc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1F 10548531 NWDDEJUYVYCEMJ-UHFFFAOYSA-N 352.387 2.136 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CCC(C)C)CC1 59060584 VLIVTRRVNNSUIA-UHFFFAOYSA-N 352.500 2.284 0 40 FEAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)nsc32)cc(OC)c1OC 66091690 ZTSYVDQLBOTHAU-QMMMGPOBSA-N 364.379 2.341 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)c2ccoc2)c1 48165731 YOOWWIXOQCESJO-AWEZNQCLSA-N 357.410 2.112 0 40 FEAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 12863007 OULUDUQAAWKKAR-NSHDSACASA-N 352.485 2.414 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1OC 3437127 GNZSMJYOWCCJAB-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB COC(=O)Cc1cc(O)nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1 12910170 VCMIFMNQDLOOBX-MRXNPFEDSA-N 373.434 2.010 0 40 FEAB O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768393 IPPFKUDYDNQPIP-UHFFFAOYSA-N 364.492 2.392 0 40 FEAB CN(CC(=O)NCCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 17909494 IUPMHOPEDBYHRA-UHFFFAOYSA-N 372.899 2.381 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2N=C(N3CCc4ccccc4C3)NC2=O)cc1 13720441 TXLPZMBZHXICLU-GOSISDBHSA-N 362.433 2.236 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCOc2ccccc21 14093618 VIMBRQURSJBGRO-INIZCTEOSA-N 351.410 2.314 0 40 FEAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)OCC(F)(F)F 65595364 ZXSPCMDSYXUUJQ-UHFFFAOYSA-N 362.304 2.278 0 40 FEAB CC[C@H](C(=O)Nc1ccc(N(C)C)cc1)n1nnc2ccccc2c1=O 5321753 QWVMMFOGNNZPGE-QGZVFWFLSA-N 351.410 2.447 0 40 FEAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 14111459 YVGORKUFZOLUKG-GFCCVEGCSA-N 367.396 2.169 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccnc1N1CCCC1 14139515 SAFHYCHQUSVVDL-UHFFFAOYSA-N 365.389 2.135 0 40 FEAB O=C(COC(=O)CC1CCCC1)NCC(=O)Nc1ccc(F)c(F)c1F 5528975 PUWNECNXYOBRHC-UHFFFAOYSA-N 372.343 2.282 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1cccs1 8707183 RVNVKIPILWVLOC-CWTRNNRKSA-N 369.446 2.319 0 40 FEAB O=C(CN1CCc2ccccc21)NC(=O)Nc1ccc2c(c1)OCCO2 6653331 JYHREWNHILCUFU-UHFFFAOYSA-N 353.378 2.169 0 40 FEAB CCN(CC)C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 5779513 VRXLLTVYLKHICI-CMDGGOBGSA-N 351.399 2.137 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)Cc1ccccc1 8924978 FVEPYQCINBLIJK-UHFFFAOYSA-N 373.840 2.096 0 40 FEAB CCN(CC)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858372 QYWPUTCWXVQAFZ-SNVBAGLBSA-N 358.847 2.135 0 40 FEAB CCC(=O)N(c1nnc(SCC(=O)NCC(F)(F)F)s1)C1CC1 7673000 PTSQGQODYBHLSG-UHFFFAOYSA-N 368.406 2.214 0 40 FEAB COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C 7727257 IPDKYDWNGFLLND-UHFFFAOYSA-N 366.420 2.139 0 40 FEAB CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 9054397 UHIYQBHYHRVUAD-UHFFFAOYSA-N 374.491 2.440 0 40 FEAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nc2ccccc2s1 71284400 YJSFSLWMAFRMKZ-UHFFFAOYSA-N 358.448 2.281 0 40 FEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCOC)CC2)cc1 72088206 MHPUHGRNWJCHQP-HNNXBMFYSA-N 368.499 2.070 0 40 FEAB C[C@@H](NC(=O)CCC(=O)N1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 19890546 QBJJZDYWXBOLNS-NEFAXPCMSA-N 361.530 2.262 0 40 FEAB NC(=O)COc1ccc(C(=O)NCCSCc2ccccc2F)cc1 9691606 HOIAEUPAVPUPRW-UHFFFAOYSA-N 362.426 2.353 0 40 FEAB CNC(=O)[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 97025436 LDGBUVVVOKBHSY-OAHLLOKOSA-N 352.312 2.330 0 40 FEAB CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)[C@@H](CN)C1 97019727 TUHZINBHCMVALX-LBPRGKRZSA-N 356.451 2.271 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)c1 21693379 ULULSLHXFRYCDI-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1c(F)cccc1F 72401782 GEPPSGOSOUGXJN-UHFFFAOYSA-N 374.391 2.435 0 40 FEAB CC(C)Cn1cc2c(n1)C1(CCN(C(=O)c3ccco3)CC1)CN(C)C2=O 306134156 NEUJZUBIHVSKGK-UHFFFAOYSA-N 370.453 2.392 0 40 FEAB COc1ccc(CN2C[C@@]3(CCNC3)Oc3ccccc3S2(=O)=O)cc1 306133069 MATDZOKVDNOJTE-IBGZPJMESA-N 374.462 2.011 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@H]2CCOC2)on1 504541345 HDHHTGMIPLWYMN-JYJNAYRXSA-N 353.438 2.171 0 40 FEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(F)F 31665809 VZLRPBHIIOOVOM-UHFFFAOYSA-N 373.402 2.434 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218665914 NRGBSPNZFPBLLU-IJEWVQPXSA-N 369.801 2.201 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)NCC(C)(C)N3CCOCC3)c2O1 49984794 VKYBOXLXPFPPGJ-UHFFFAOYSA-N 362.470 2.006 0 40 FEAB Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1 222880709 GXGRYCCRBNJXFU-UHFFFAOYSA-N 360.479 2.494 0 40 FEAB O=C(c1c[nH]cn1)N1CCC2(CC1)C[C@H](N1CCOCC1)c1ccccc12 96079236 XBVZIMWMMVQMPC-IBGZPJMESA-N 366.465 2.361 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 96245450 TYKNIRJSZZHQSM-GASCZTMLSA-N 350.846 2.183 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)no1 247960223 CXJPPVLCRQAKLL-UHFFFAOYSA-N 353.422 2.420 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 257337959 YVFQEXBCMUQBOV-HNNXBMFYSA-N 350.426 2.394 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253470911 AESIGKYKZSWLJY-UHFFFAOYSA-N 367.438 2.133 0 40 FEAB O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1ccc2c(c1)OCCO2 278416704 QWVUPWJTVOIUIN-UHFFFAOYSA-N 365.411 2.374 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(c2nccc3cc(C(F)(F)F)ccc23)C1 643713447 URQAGVBQSWBRSV-INIZCTEOSA-N 353.344 2.460 0 40 FEAB Cc1ccc(NC(=O)Cc2c(C)nc(O)nc2O)c(OC[C@@H]2CCCO2)c1 1136393634 TUBBJTYWKYSVNH-ZDUSSCGKSA-N 373.409 2.244 0 40 FEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(C)[C@H]1c1nccn1C 650671268 MCYRYLXLUXLPAK-DLBZAZTESA-N 352.438 2.307 0 40 FEAB Cc1noc(-c2ccc(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2)n1 1256269456 HKIVFFOJCVMQEZ-ZDUSSCGKSA-N 357.410 2.455 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(O)nc(CC(C)C)c2)C1 1775957989 WMFMJZUXMZFGST-LSDHHAIUSA-N 360.414 2.279 0 40 FEAB C[C@H]1CN(C)c2ccccc2N(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 607916958 SZIMKIVQHBLVKW-JKSUJKDBSA-N 369.469 2.022 0 40 FEAB CN1CCC(n2cc(NC(=O)c3cn(C)nc3-c3ccoc3)cn2)CC1 634096060 QTTKTEVELJJNLQ-UHFFFAOYSA-N 354.414 2.396 0 40 FEAB CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c1 656647803 YZSUANCLNUCKAK-CQSZACIVSA-N 363.439 2.306 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108837 RXMDQJNFFLLLBH-CMKODMSKSA-N 355.438 2.318 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454526 JMDCZCVNHUOHPW-WMLDXEAASA-N 362.445 2.152 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)C)n2)c(OC)c1 58217499 HKEUFEYDEPOYLV-UHFFFAOYSA-N 350.444 2.496 0 40 FEAB O=C(CS(=O)(=O)c1ccc(Br)s1)Nc1nccs1 11666510 LAULFNQIRSFGQB-UHFFFAOYSA-N 367.271 2.380 0 40 FEAB NC(=O)C1CCN(C(=O)CCn2c(C(F)(F)F)cc3cccnc32)CC1 12089723 XDWMHHZNQRYYAM-UHFFFAOYSA-N 368.359 2.169 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccccn3)CC1)O2 12225577 YCTZHMFWXFITRA-UHFFFAOYSA-N 351.406 2.187 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2C)Oc2ccccc21 13681888 QAKMONXQVASOCG-GOSISDBHSA-N 374.462 2.229 0 40 FEAB CS(=O)(=O)NC1CCN(Cc2cc3ccccc3nc2Cl)CC1 14067248 ZPFMSHSOASJXKZ-UHFFFAOYSA-N 353.875 2.402 0 40 FEAB O=c1nc(-c2cc(F)cc(F)c2)c(-c2nnnn2-c2ccccc2)c[nH]1 16523869 QECYLGXEAAGLAR-UHFFFAOYSA-N 352.304 2.358 0 40 FEAB Cc1cnn(CC(=O)N2CC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)c1 19747899 PJGUKCNVYVNEAG-INIZCTEOSA-N 374.872 2.052 0 40 FEAB Cc1ccc(N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)nn1 1888853242 AKYYONGFRXXREK-RYUDHWBXSA-N 350.348 2.166 0 40 FEAB CC(C)(C)N1C(=O)OC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1=O 1888987380 NNNBMWJVZHBZHL-UHFFFAOYSA-N 361.398 2.304 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1C 21525824 SHFDBIWDKDBERO-VXGBXAGGSA-N 365.474 2.036 0 40 FEAB Brc1cnc(OCC2CCN(CCn3cccn3)CC2)nc1 1775996034 RUAJZLZYOIKXJB-UHFFFAOYSA-N 366.263 2.227 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C1CC(F)(F)C1)CC2 1614933144 GGFFISGXXQHUGE-AWEZNQCLSA-N 358.429 2.155 0 40 FEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccc3c(c1)OCO3)C(=O)C2 922381 IIKJBCGNWZMXPZ-UGSOOPFHSA-N 365.451 2.230 0 40 FEAB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21 5136869 SUEBYXZQMUKEFV-UHFFFAOYSA-N 372.493 2.261 0 40 FEAB CCCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCCC)c(=O)n1C 5148165 VRYQVWBJLIRCAA-UHFFFAOYSA-N 374.489 2.473 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)s1 5328928 PPCJSYUTYKIGQJ-UHFFFAOYSA-N 372.493 2.397 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1ccsc1 8863742 OIUOQVUACKWURM-OAHLLOKOSA-N 365.886 2.437 0 40 FEAB COc1ccccc1OCC(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924897 GYDWNBANAYUGSL-HNNXBMFYSA-N 354.406 2.243 0 40 FEAB COc1ccc(C(=O)N[C@@H]2Cc3ccccc3NC2=O)c(OC)c1OC 15084127 NLWJCDSBEAADQY-CQSZACIVSA-N 356.378 2.006 0 40 FEAB CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)cn1 2055754593 GVZLKYZRAYEZSY-OALUTQOASA-N 364.449 2.363 0 40 FEAB CCNc1cc(NCCNC(=O)Nc2ccc(OC)cc2OC)nc(C)n1 36708107 MPJKGZHJFAMYSU-UHFFFAOYSA-N 374.445 2.468 0 40 FEAB O=C(CCc1cccc2ccccc12)NCCOCCN1C(=O)CCC1=O 575619602 KKANEEIZXADVFJ-UHFFFAOYSA-N 368.433 2.054 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 10187855 IEBNBZQRRLEUBZ-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)no3)C2)cc1 13597067 SJZIXUGTNXIDNM-CQSZACIVSA-N 363.439 2.331 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCOCC3)C2)n(-c2ccccc2)n1 2332241640 QZBILAAJDPYFIK-KFKAGJAMSA-N 356.470 2.341 0 40 FEAB COc1cccc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)c(=O)oc12 28881202 DQPASDZFLKTJCH-CYBMUJFWSA-N 367.357 2.371 0 40 FEAB CC(C)[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@@H]1CCCO1 1345142 HWFCGYLPDLPZKZ-FUHWJXTLSA-N 359.422 2.325 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11750578 XJQYNTUNGUXCOY-UHFFFAOYSA-N 358.463 2.446 0 40 FEAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O 3906550 YVBNIACKOGGHBD-UHFFFAOYSA-N 366.421 2.205 0 40 FEAB O=c1c(CN2CCN(c3ccccc3)CC2)coc(O)c1CN1CCCC1 101411895 QGZDOYXCGFOOLS-UHFFFAOYSA-N 369.465 2.263 0 40 FEAB Cc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1 2786611 ZNJHNCLJBMKRGQ-UHFFFAOYSA-N 362.739 2.413 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 103268563 IVSSTPASBVJFEO-SCTDSRPQSA-N 374.529 2.153 0 40 FEAB Cc1cccc2nc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)cn12 53340761 YHINDPPKKSOBRN-UHFFFAOYSA-N 363.421 2.072 0 40 FEAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 103928660 MQASXDMRITUTSX-UWJYYQICSA-N 361.401 2.481 0 40 FEAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F 42268786 DPYYXBYHDPJFLC-UHFFFAOYSA-N 371.773 2.369 0 40 FEAB COc1ccccc1CCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 104458849 UMEDICHCHGCKDW-MRXNPFEDSA-N 356.422 2.338 0 40 FEAB Cn1c(CCC(N)=O)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 57089817 CKEYTMAHFFJHRH-MRXNPFEDSA-N 371.510 2.478 0 40 FEAB CCN(CC)C(=O)CN(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 23800369 ILLPGLQNVNULSJ-VOTSOKGWSA-N 366.845 2.451 0 40 FEAB CN1C(=O)c2ccc(C(=O)OCc3nc(-c4ccccc4)no3)cc2C1=O 24847047 KCNXZMBUCGGKPS-UHFFFAOYSA-N 363.329 2.319 0 40 FEAB C[C@@H](C(=O)Nc1cccnc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957094 XPYWRBFAHPDTSQ-JTQLQIEISA-N 355.366 2.153 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3cnn(C)c3)n2)cc1OC 25306724 WEWICVYXBYYYPW-UHFFFAOYSA-N 357.370 2.059 0 40 FEAB CN(C(=O)CNc1cccc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 57991760 DAVDJNMTXKYQPR-HNNXBMFYSA-N 366.483 2.065 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)N1CCNC1=O 10214937 XJVDJYBDKACESN-GFCCVEGCSA-N 350.374 2.355 0 40 FEAB CCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2154825 RVKHMPRQGMIINT-CQSZACIVSA-N 361.394 2.418 0 40 FEAB biogenic Cn1ncc2c(=O)n(CCC(=O)Nc3cc(Cl)ccc3Cl)cnc21 12619831 SYXULJPFZLDTCA-UHFFFAOYSA-N 366.208 2.466 0 40 FEAB Cn1c(SCC(=O)Nc2ccccc2C(=O)O)nnc1-c1ccncc1 10678294 YLOBSQHKZDJZCJ-UHFFFAOYSA-N 369.406 2.306 0 40 FEAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc[nH]c1=O 36391200 VYNQYAJTPJVHTI-UHFFFAOYSA-N 366.343 2.188 0 40 FEAB CCn1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccccc21 2340651 LEGUCRHWIWNSMY-UHFFFAOYSA-N 357.454 2.333 0 40 FEAB CCN(CCNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1C 58952846 IEVRIFLXCZYHSA-UHFFFAOYSA-N 350.422 2.488 0 40 FEAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCCN(C)CC1 3430421 AOLGXVUGBIZPHO-MRXNPFEDSA-N 353.466 2.051 0 40 FEAB O=C(CSc1ccccc1C(=O)O)NC[C@H]1COc2ccccc2O1 12940539 WHFMEMPZFNDQNC-LBPRGKRZSA-N 359.403 2.433 0 40 FEAB Cn1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)n1 306134321 NIWJCWNVKGSVPI-SFHVURJKSA-N 369.450 2.160 0 40 FEAB CC(C)C[C@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 4221220 QODFPLJTZFAZCK-INIZCTEOSA-N 372.421 2.408 0 40 FEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 17114367 HTJBAVUHTLXLDJ-LLVKDONJSA-N 365.817 2.393 0 40 FEAB Cc1[nH]ncc1CCCNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 65592174 SRRKATWXWSPQNV-UHFFFAOYSA-N 363.805 2.457 0 40 FEAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423217 APHRWOGQGZAZGK-UHFFFAOYSA-N 374.462 2.305 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14140210 ZUWBORXIUKHYOG-AWEZNQCLSA-N 351.406 2.266 0 40 FEAB COc1cc(CN(C)Cn2nc3ccccn3c2=O)ccc1OC(F)F 14142039 KIISZUMCQROFDV-UHFFFAOYSA-N 364.352 2.196 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nccn1C 4804932 OUVGAHWAOAIHLT-UHFFFAOYSA-N 352.847 2.263 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)COc2ccccc2OC)c2ccccc2O1 6810823 IDMGLQNZAVCAKP-KRWDZBQOSA-N 357.362 2.041 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 4999893 PRPJCAVCBCWVFW-UHFFFAOYSA-N 359.332 2.100 0 40 FEAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)NC(=O)NC1CC1 8776586 RDAWWUTZLMCCTK-LLVKDONJSA-N 359.455 2.353 0 40 FEAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)CN(C)C2=O)cc1 8729185 NMFCDSGZIAPKFV-UHFFFAOYSA-N 373.434 2.184 0 40 FEAB O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@H](c2ccccc2F)C1 67386188 GDXCNHFBYVJMFB-QAPCUYQASA-N 366.433 2.494 0 40 FEAB Cc1ccc(CNC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 15879769 DCBDJRZZAJGMJW-UHFFFAOYSA-N 350.374 2.310 0 40 FEAB CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)sc(C)c1C 19792853 ZMYAUWUUTBOULA-UHFFFAOYSA-N 353.488 2.118 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 83857645 MCZHFZYADNBTOR-UHFFFAOYSA-N 366.465 2.463 0 40 FEAB Cc1ccc(NCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)nc1 72264333 ZIDIUTXOKPKWCR-UHFFFAOYSA-N 370.457 2.245 0 40 FEAB COc1ccc2c(c1)CN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CC2 98143552 YJSNPWCRFFJPHA-IBGZPJMESA-N 361.463 2.190 0 40 FEAB CC(=O)N1CCC(N[C@H]2C[C@@H](Cc3cc(CN(C)C)on3)C2(C)C)CC1 67890214 BKUUUVGSUZGWRO-BEFAXECRSA-N 362.518 2.294 0 40 FEAB biogenic,in-vitro O=C(c1ncccn1)N1CC2(C[C@H](CCOCc3cccnc3)CCO2)C1 306138118 RPQPHTHYNRGWIN-MRXNPFEDSA-N 368.437 2.100 0 40 FEAB NC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1 39963295 MTHQCQFDUYSJPT-UHFFFAOYSA-N 355.781 2.393 0 40 FEAB COc1ccc(N[C@H]2CCCn3c2cnc3C(=O)N2CCOCC2)cc1 306134759 NXMMOKUXKPMOKU-INIZCTEOSA-N 356.426 2.311 0 40 FEAB CCc1nc(COc2ccc(C(=O)N[C@@H]3CCn4ccnc4C3)cc2)no1 548639316 VJAGBJHRVWKYMS-CQSZACIVSA-N 367.409 2.152 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCCc3nc(C)ncc32)c2c(C)nn(C)c2n1 71195907 ZQEHLTFEKFYYRW-MRXNPFEDSA-N 350.426 2.491 0 40 FEAB COc1ccc(C(=O)NCN2CCN(c3ccc(F)cc3)CC2)cc1OC 33340181 FOBVKVKHCVYLHJ-UHFFFAOYSA-N 373.428 2.352 0 40 FEAB COc1ccc(CC(=O)NCCNC(=O)c2cn(C)c3ccccc23)cc1 32123891 HYJNELUWJGBWFP-UHFFFAOYSA-N 365.433 2.276 0 40 FEAB biogenic COC(=O)[C@H](C)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49548628 BKRIGMXHAIDIRM-NSHDSACASA-N 374.347 2.233 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CC(n4nc(C)nc4C)C3)cc2)n1 328779759 MEEWLTRSNMTJJD-UHFFFAOYSA-N 350.426 2.395 0 40 FEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224843212 IOWCXXGYWNDWBI-UHFFFAOYSA-N 363.391 2.070 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 47227689 MUBYOKGRYBHZIF-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(CC(N)=O)cc4)cn1c23 225862095 ZPPZCVWCVAIKFX-GFCCVEGCSA-N 361.401 2.399 0 40 FEAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 222774549 FMZQJOUUUABFTQ-IRXDYDNUSA-N 367.482 2.395 0 40 FEAB c1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96240459 VDOJMUFLTYEVPG-AZUAARDMSA-N 354.454 2.196 0 40 FEAB Cc1nc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)cs1 96199843 USAAPSXUERQMPS-INIZCTEOSA-N 359.499 2.166 0 40 FEAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(S(C)(=O)=O)CC3)cc21 96267116 VRHLPXWIGXXCCA-UHFFFAOYSA-N 371.466 2.169 0 40 FEAB CC(C)NC(=O)N1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 96260453 CTWCZNXXTKPPMG-UHFFFAOYSA-N 361.490 2.122 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccnc2)C3)n1 247864191 HPRUEAHFGJSGRQ-GOSISDBHSA-N 353.422 2.375 0 40 FEAB CCCC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 585087022 MAFOKOVVLIMMPJ-AWEZNQCLSA-N 351.451 2.266 0 40 FEAB CCCn1nccc1-c1cc(C)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257230066 GAQOUBYVDDTYFV-AWEZNQCLSA-N 363.487 2.198 0 40 FEAB CNC(=O)c1cnn2c([C@H]3CCN(Cc4sccc4C)C3)ccnc12 257314802 UYMGWXAPUWZRSA-ZDUSSCGKSA-N 355.467 2.448 0 40 FEAB CN(C)c1ccc([C@@H]2CCCN2CC(=O)NCc2ccccc2F)nn1 643728735 JFGOVPZSFCJJIG-KRWDZBQOSA-N 357.433 2.135 0 40 FEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(OC)c2cccnc12 654772421 KXVIQIOLLORAHH-LLVKDONJSA-N 352.412 2.117 0 40 FEAB O=C(c1ccccc1)N1CCC(CNC2CCN([C@@H]3CCOC3)CC2)CC1 585091200 FKCUQBKONJZYQQ-OAQYLSRUSA-N 371.525 2.382 0 40 FEAB O=C(c1cocn1)N1CC(F)(F)C[C@@]2(CCN(CC3CCC3)C2=O)C1 585093063 KIQXXCBWFYKXCX-INIZCTEOSA-N 353.369 2.175 0 40 FEAB CCO[C@@H]1COC[C@H]1n1cc(C(=O)N2c3ccccc3CC2(C)C)nn1 685942159 GMRKPYYKOBDHDQ-IAGOWNOFSA-N 356.426 2.236 0 40 FEAB Cn1cc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cn1 55579969 HEDQMGHAGKEINJ-UHFFFAOYSA-N 372.454 2.206 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)cc1F 56087969 LXXOGUPZTBYJDD-UHFFFAOYSA-N 360.414 2.252 0 40 FEAB COc1ccc(CCC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 53852942 XORLEMUALNSDGJ-UHFFFAOYSA-N 357.454 2.475 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12994629 FOTNAWPHNUZFNM-UHFFFAOYSA-N 360.479 2.306 0 40 FEAB CCCc1c(C)nc(NC(=O)NS(=O)(=O)c2cccs2)nc1O 13407811 LCDHOAWPPZBTDQ-UHFFFAOYSA-N 356.429 2.015 0 40 FEAB CN(Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1)S(C)(=O)=O 14401751 ZWJBUUVQNDCUJC-UHFFFAOYSA-N 374.462 2.046 0 40 FEAB Cc1ccc(-c2nnc3n(CCC(C)C)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 17052014 WSQQHFXNSOBQAQ-UHFFFAOYSA-N 366.425 2.093 0 40 FEAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)COC)CC1)c1ccccc1 19526671 VISUSHLBLQDYFV-UHFFFAOYSA-N 370.453 2.429 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nccs3)C2)cc1F 206818934 DVCKICRCAGDGMZ-LLVKDONJSA-N 371.459 2.238 0 40 FEAB CN(C)c1nccc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 607143431 KEMHOMPBUQJSPI-GFCCVEGCSA-N 360.849 2.446 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)N[C@@H]2CCCC[C@@H]2C)c3=O)cc1 12233749 OWELIXUELXKIQB-GOEBONIOSA-N 367.453 2.407 0 40 FEAB O=C([C@@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)N1CCOCC1 1888850379 WQFCBEHEARLURC-LLVKDONJSA-N 361.339 2.315 0 40 FEAB O=C(N1CCOCC1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776009270 BUICMENKSQBTOW-STQMWFEESA-N 369.263 2.266 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037839968 GXVJHGOULNBBIB-HXUWFJFHSA-N 369.396 2.177 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(Cc3nc(C(C)C)no3)CC2)n1 2087130859 UXARXMKGQIENIB-UHFFFAOYSA-N 371.489 2.214 0 40 FEAB COC1(CC(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)CCC1 1565546972 CPHCXCRBMQABOE-LJQANCHMSA-N 357.454 2.386 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 4941518 GURLMHOYIJMHBZ-CYBMUJFWSA-N 352.818 2.389 0 40 FEAB COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(O)c2)C3)cc1 9134921 AERDLJABDUWXNC-GOSISDBHSA-N 365.389 2.398 0 40 FEAB O=C(COc1ccccc1)NCCCn1nc(-c2ccco2)ccc1=O 13797551 AQHAKFXNAVSHAU-UHFFFAOYSA-N 353.378 2.089 0 40 FEAB Cc1ccccc1NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O 15884261 FFEYKGCUKFFEPJ-UHFFFAOYSA-N 362.389 2.443 0 40 FEAB CN([C@H]1CCCN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)C1CC1 2086889438 YMDFNAXMQFLSNE-ZDUSSCGKSA-N 364.446 2.162 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@@H]2CCCC[C@H]2O)CC1 585503440 RJOCHHXBYCVTOD-WOJBJXKFSA-N 368.481 2.321 0 40 FEAB CCc1ncnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)c1F 2298054299 ODGVVVHFZUQRSD-UHFFFAOYSA-N 353.405 2.085 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)N1CCCC1 9761945 QAANZVBHVWQZIS-UHFFFAOYSA-N 359.860 2.166 0 40 FEAB Cc1ccnn1CC(=O)N1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 72254585 ACGIECBUGHIPNU-UHFFFAOYSA-N 359.474 2.212 0 40 FEAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cs1 40005438 SWHBYFYZHSVWMC-OAHLLOKOSA-N 364.492 2.212 0 40 FEAB Cn1c(=O)n(CCC(=O)Nc2cccc(-c3nnco3)c2)c2ccccc21 40063118 KIUJAMBPRYVQBM-UHFFFAOYSA-N 363.377 2.419 0 40 FEAB CCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 20068856 VDAJLYPMVMEOGC-CABCVRRESA-N 361.471 2.271 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C[C@H]1CCCO1)NCCc1ccc(F)cc1 40120139 PSLVHAWVYREAAV-KDURUIRLSA-N 364.461 2.144 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 8075891 XZCGTGFGJNSODN-GFCCVEGCSA-N 358.369 2.204 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 11247019 PPOALMQAYHIMKJ-QGZVFWFLSA-N 361.405 2.336 0 40 FEAB Cc1cnc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cn1 51420331 IOVTVSJMIOLUOA-UHFFFAOYSA-N 365.437 2.324 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 4999899 BNDWAYNFEWWITL-UHFFFAOYSA-N 357.797 2.475 0 40 FEAB CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 57501623 UATGTYOOPHVCJK-HNNXBMFYSA-N 364.511 2.444 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1[C@H]1CCS(=O)(=O)C1 22023544 ZWKSNZTVTRFMNT-ZDUSSCGKSA-N 365.407 2.097 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1F 9993241 VIWJARHVHKIFKC-UHFFFAOYSA-N 350.733 2.463 0 40 FEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 47028192 AYIKTQMDPWQHCC-HNNXBMFYSA-N 374.464 2.374 0 40 FEAB COc1ccc(CN2CCC(NC(=O)Nc3nncs3)CC2)cc1F 47320396 UUKPYDYXJKTONM-UHFFFAOYSA-N 365.434 2.472 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)c1C 23078508 KUDVMVOZFFTMKQ-XLIONFOSSA-N 373.522 2.406 0 40 FEAB NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C(F)(F)F)c2)C1 57327547 RRYNVZHPDZXGJC-LURJTMIESA-N 351.122 2.306 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51134387 MTBGOYJPOKAOBE-CYBMUJFWSA-N 359.451 2.225 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C)c2C)c2ccccc2O1 12563233 WZEZNDZCWBMCHG-GOSISDBHSA-N 353.422 2.256 0 40 FEAB O=C1O[C@@H](C(=O)Nc2ccccc2N2CCOCC2)Cc2ccccc21 12534336 XAUZLFSEOOIXMG-GOSISDBHSA-N 352.390 2.243 0 40 FEAB COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889160 SDONLGYBNQVVJP-AWEZNQCLSA-N 374.462 2.203 0 40 FEAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c1 57492260 UWNFJMIWDQQNCK-UHFFFAOYSA-N 371.462 2.355 0 40 FEAB CCCN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCN1CCCC1)C2=O 57531499 BRTWOXVPLSFKRR-LJQANCHMSA-N 368.481 2.355 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 3299048 SONULIVNGQXMMR-LBPRGKRZSA-N 373.331 2.490 0 40 FEAB CCNC(=O)CN(CC)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 27447320 IITKPMMCPLIUOI-CYBMUJFWSA-N 369.874 2.128 0 40 FEAB CCOC(=O)[C@H](CNC(=O)Nc1cnn(CCOC)c1)Cc1ccccc1 58162020 ISWAZWGGKWXNAS-INIZCTEOSA-N 374.441 2.073 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCCCC2)cc1 58197644 YZGVGCNOAPXDJS-UHFFFAOYSA-N 373.478 2.405 0 40 FEAB Cc1c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2155102 NFRAFQYOBWWQRI-AWEZNQCLSA-N 361.394 2.273 0 40 FEAB biogenic CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408594862 PNVMZKNZTYMRRO-AWEZNQCLSA-N 374.462 2.341 0 40 FEAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)NCc1ccc2c(c1)OCO2 3326420 IQYQLGIDWWRINL-GFCCVEGCSA-N 356.378 2.303 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(=O)C2CC2)CC1 36383849 NDQADUCGXJYOLG-UHFFFAOYSA-N 365.861 2.150 0 40 FEAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccnc4)CC3)n2)cc1 12759358 HQTUITLKJZKFGX-UHFFFAOYSA-N 363.421 2.398 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12788048 VWQPCNFVFHTBFR-XCODYQFDSA-N 351.457 2.363 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3-n3cncn3)n[nH]2)s1 48261930 VPLAROAMUPEQSS-UHFFFAOYSA-N 365.422 2.352 0 40 FEAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCc2ccccc21 3552402 WVZULHHZCPEXLZ-ZDUSSCGKSA-N 373.430 2.225 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2cccc(OC)c2)cc(C(=O)OC)c1 3565684 TZZPIIUKHHEXIF-UHFFFAOYSA-N 357.362 2.450 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2cncn2)cc1 48647151 JAZWFZHKMMHWAK-UHFFFAOYSA-N 374.404 2.046 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C[C@@H]1C=CCC1 13001036 RZHKUXFRYPEDHK-GFCCVEGCSA-N 350.440 2.431 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1C 13021468 MIXULIPGGZUSTC-UHFFFAOYSA-N 350.378 2.302 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)cc1OC 13435359 QXBQZXRYCMVOLO-KRWDZBQOSA-N 357.362 2.125 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)c1 13549843 SEIWKUUUQKCGOO-VIFPVBQESA-N 359.411 2.489 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1cccs1 13692071 YJWFVQKIIYBPGL-UHFFFAOYSA-N 369.446 2.142 0 40 FEAB O=C(C[C@H]1N=C(N2CCOCC2)N=C1O)Nc1cc(Cl)cc(Cl)c1 13718876 BAVAZBBKCMBXSU-GFCCVEGCSA-N 371.224 2.349 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccsc1C(=O)OC 9002274 UVLHXEKUXZECLO-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB CC(=O)N1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 39979664 UBEDJZGQYQIIBI-UHFFFAOYSA-N 354.454 2.289 0 40 FEAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1 14139778 CAHCAXPVQSCJBO-KRWDZBQOSA-N 357.841 2.324 0 40 FEAB COc1ccc(OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 14244700 KZCZXMDZUNKHFO-HNNXBMFYSA-N 367.467 2.032 0 40 FEAB Cc1n[nH]cc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 92668633 AGDWTZFUIHFEGW-UHFFFAOYSA-N 363.259 2.439 0 40 FEAB Cc1nn(CC(=O)NC2CCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C 7736849 XOSGFPMJSBDJER-UHFFFAOYSA-N 370.519 2.026 0 40 FEAB COc1ccccc1CN(C)C(=O)Cc1nn(C)c(=O)c2ccccc12 8942516 IRIDPBJNMDWPFS-UHFFFAOYSA-N 351.406 2.143 0 40 FEAB Cc1[nH]c(=O)n(-c2ccc(OCc3ccccc3)cc2)c(=O)c1CC(=O)O 20156504 LSQIKQTWNJSIOB-UHFFFAOYSA-N 366.373 2.040 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C12CC3CC(CC(C3)C1)C2 9499785 ZECOEURHUGPLBJ-PHFPYVEOSA-N 373.497 2.428 0 40 FEAB CCc1ccccc1CNS(=O)(=O)c1ccc(CCNC(C)=O)s1 77398474 ZZORJRVEWTZIKU-UHFFFAOYSA-N 366.508 2.468 0 40 FEAB O=C(Nc1nc(-c2ccccn2)cs1)C1(n2cnnn2)CCCCC1 72402216 YDYSKZUHOAKYNS-UHFFFAOYSA-N 355.427 2.490 0 40 FEAB COc1ccccc1N1CC[C@@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 95439864 PWFWXWJSGAWEIR-MRXNPFEDSA-N 363.421 2.285 0 40 FEAB COC(=O)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)s1 21864897 JJPAJLOLBIKIIV-VIFPVBQESA-N 365.436 2.235 0 40 FEAB Cc1cc(C)c(/C=C/C(=O)OC[C@H]2CNC(c3ncccn3)=NO2)cc1C 85983565 GBFJSUPVIJBRLL-FUTAKVPZSA-N 366.421 2.308 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 408653458 JDTYNLVHOZPDPO-BDUBRWIHSA-N 363.797 2.328 0 40 FEAB Cc1cc(CN2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)n(C)n1 306130011 ITXZZMAKOBQINY-LJQANCHMSA-N 373.501 2.315 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35876841 YXAQONGAXQMECY-RTBURBONSA-N 357.498 2.291 0 40 FEAB CCCn1c(CN2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 32538124 YLRNHCRMBQANSB-UHFFFAOYSA-N 350.488 2.292 0 40 FEAB CCOc1ccc2nc(N3CCN(C(=O)c4cnccn4)CC3)sc2c1 36687498 QTQXNBPCKKHFHE-UHFFFAOYSA-N 369.450 2.447 0 40 FEAB C[C@H]1CCn2ncc(C(=O)N[C@@H](C)c3ccc(OCC(=O)O)cc3)c2C1 563889381 SHVHCJCXVCAHJG-STQMWFEESA-N 357.410 2.420 0 40 FEAB O=C(NCc1cccs1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70637952 GSDVAORLDVKRKM-UHFFFAOYSA-N 368.466 2.257 0 40 FEAB COc1ccccc1NC(=O)COc1c(OC)cc(C(=O)O)cc1OC 217733013 ZPTUSOCRWHELLK-UHFFFAOYSA-N 361.350 2.428 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218060681 IAIHLIFPOLPONP-ZOBUZTSGSA-N 366.822 2.343 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71980081 BTROXNLECNKJIW-ZDUSSCGKSA-N 372.343 2.053 0 40 FEAB CN1CCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 40373083 KOIFOVXMMXNPPY-NRFANRHFSA-N 354.494 2.443 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 223370299 PUVBCZKRAXSAMI-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB Cc1cc(C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)no1 225820243 SGAPXLGGLNSVPJ-UHFFFAOYSA-N 368.393 2.056 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)no1 96040407 AAXHIFJWZBGHOY-QFBILLFUSA-N 357.410 2.468 0 40 FEAB COc1ccnc(CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 577752343 QSIFLFRQPPLLDD-AWEZNQCLSA-N 351.410 2.082 0 40 FEAB N[C@@H]1CC[C@H]2CN(C(=O)c3occc3CN3C(=O)Cc4ccccc43)C[C@H]12 579240824 DHOMATVXKYQBLK-BHYGNILZSA-N 365.433 2.178 0 40 FEAB CCN1[C@H]2CCN(C(=O)C(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145727 LTVSQKLRVDGBPB-GJZGRUSLSA-N 366.483 2.105 0 40 FEAB Cc1cc2cc(C(=O)N3CCC[C@@H](Cn4cc(CN)nn4)C3)ccc2o1 23542426 NMQOAWQQNLQTEA-CQSZACIVSA-N 353.426 2.344 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CC[C@@H]([C@@H]2CCOC2)C1 333102933 VQURMSWLIOTTGD-IAGOWNOFSA-N 354.454 2.483 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C(=O)c3cccs3)C2)C1 96074563 VWBGDRJUMYYUOW-KRWDZBQOSA-N 356.407 2.143 0 40 FEAB O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1 96207582 CLMLFOXJGCDMOG-CRAIPNDOSA-N 350.484 2.141 0 40 FEAB CCOc1ccc(CN2CCC[C@H](Cc3nccnc3N)C2)cc1CO 257336778 YPZQYMSNGGMBPV-OAHLLOKOSA-N 356.470 2.405 0 40 FEAB Cc1c(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)sc2ncn(C)c(=O)c12 257213306 CHADDCZSXISKJP-DJJJIMSYSA-N 374.510 2.440 0 40 FEAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ncnn2C)CC1 596424248 DVKMDHXUEGEIIL-KRWDZBQOSA-N 370.453 2.404 0 40 FEAB Cn1nccc1[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 1639548275 ODZCZZVUEDBEKL-JZXOWHBKSA-N 369.469 2.386 0 40 FEAB Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1 96025677 SYGCMQFIBMUBTQ-UHFFFAOYSA-N 372.406 2.017 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108832 QQSZUCUOFMLQBK-XYJFISCASA-N 357.385 2.205 0 40 FEAB Cc1ccccc1C1(C(=O)NCc2nnc3ccccn23)CCOCC1 57427827 VMZYCLONTODPIQ-UHFFFAOYSA-N 350.422 2.402 0 40 FEAB CCOC(=O)c1cnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 1614702817 VXTPQWQDUUGQGC-ZDUSSCGKSA-N 350.419 2.147 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)COc3cccc(C)c3)nc2s1 15734015 ILQDBFBABLCOSY-UHFFFAOYSA-N 359.407 2.144 0 40 FEAB COc1cc(CNCc2ccccc2)ccc1OCC(=O)N1CCOCC1 17075896 STTVDQWJBWYUFA-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB Cc1cnc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4ccccc4)C3)o2)cn1 19239208 WTPWCMFOACHYLL-CYBMUJFWSA-N 371.422 2.013 0 40 FEAB COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc1 19557848 ZMUZYXYHZKVALT-ROUUACIJSA-N 356.470 2.116 0 40 FEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(C)=O)cc1 19767176 ORKMUXXRPOCEAY-SFHVURJKSA-N 368.437 2.407 0 40 FEAB O=C(O)CCC/C=C/C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 5426397 AZIGEYVZEVXWAD-LHFVKTJNSA-N 368.470 2.224 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccccc1F 657200636 MMTZRMOFJJFWBM-BLLLJJGKSA-N 353.419 2.005 0 40 FEAB Cn1c(N2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)nc2ccccc21 1888888360 BSIVPXOKYOKWPX-STQMWFEESA-N 353.451 2.238 0 40 FEAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(F)cn3)C2)c(C(F)F)n1 1889130401 VNOHGPFGQFBADW-JTQLQIEISA-N 354.332 2.433 0 40 FEAB COc1nccnc1N1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1889180461 IFUVVLIRNUQMOD-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB CN(C)C(=O)N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1 31506946 SJHRZWZMUVCWHB-UHFFFAOYSA-N 364.496 2.240 0 40 FEAB CC(C)n1ccnc1CN1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037983847 IFHQMDQXYWPMSE-MBOZVWFJSA-N 372.444 2.086 0 40 FEAB O=C(CC1CCOCC1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985412 JETZYOSESWOKRP-MJGOQNOKSA-N 372.465 2.084 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)c(C)n23)n(C)c1=O 4250762 IFUQDMDDDHHEJW-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1csc2ccccc12 575622253 YMKVVONOPWAXLF-OAHLLOKOSA-N 364.496 2.216 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)c1sccc1NS(C)(=O)=O 40138923 WZSGESLBNLZDHP-UHFFFAOYSA-N 368.436 2.224 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1 40106330 CKSKHUQPGZPLAS-STQMWFEESA-N 357.476 2.022 0 40 FEAB O=C(NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1Cl 31180666 SZMRKFPICMROBC-UHFFFAOYSA-N 373.236 2.089 0 40 FEAB C[C@@H](CC(=O)NCCN1CCc2ccccc2C1)NC(=O)c1ccccc1 31339545 BICDDOOJSFRRCH-KRWDZBQOSA-N 365.477 2.370 0 40 FEAB CCn1nccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619258 ILQHCCJKDXUGTM-UHFFFAOYSA-N 351.345 2.399 0 40 FEAB COc1ccc(CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1OC 848835 PGBOUWZYFIQFTP-UHFFFAOYSA-N 368.433 2.474 0 40 FEAB biogenic,in-vitro Cc1nc(-c2ccc(CNC(=O)[C@H](CC(C)C)NC(N)=O)o2)cs1 29564535 YDBLGWREKXGARL-LBPRGKRZSA-N 350.444 2.411 0 40 FEAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn12 20745560 KPNWDNHRUDPDDI-UHFFFAOYSA-N 365.441 2.498 0 40 FEAB CCCCN(C)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1 6553200 CIGZKNLXOXACCZ-UHFFFAOYSA-N 362.455 2.458 0 40 FEAB Nc1nc(COC(=O)[C@@H]2COCCO2)nc2sc3c(c12)CCCCC3 46311703 CTRRAZFQISNJGS-NSHDSACASA-N 363.439 2.001 0 40 FEAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)NC[C@@H]2CCCO2)n1 21450381 MVDBWXPKNNALIU-PWSUYJOCSA-N 358.485 2.025 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 32832707 NQPLGSZDEVIHAC-UHFFFAOYSA-N 371.406 2.162 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 8559279 POPDQGVSGBNWHS-VIFPVBQESA-N 369.303 2.136 0 40 FEAB CC(C)(O)[C@H]1CCCN1Cc1nnnn1-c1ccccc1Br 89761628 WJMIZWOHVQJICW-CYBMUJFWSA-N 366.263 2.160 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)NC4CCCCC4)c(=O)c23)C1 807695 QPQSBZABQUNFGP-NSHDSACASA-N 360.483 2.427 0 40 FEAB COc1cc(NC(=O)CN2CCN(Cc3ccco3)CC2)cc(OC)c1 22915171 VURJXFOLDHQMHX-UHFFFAOYSA-N 359.426 2.053 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 939651 XCNIOVNMZMKALL-MRXNPFEDSA-N 362.382 2.154 0 40 FEAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2nncs2)CC1 43127725 YBNCZEJTOROSAA-UHFFFAOYSA-N 361.427 2.429 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)C 22248410 LJOLIHWNXUYKEZ-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2Br)c[nH]1 34940599 IHYISMBHXSYBBE-UHFFFAOYSA-N 363.164 2.415 0 40 FEAB COCCn1c(SCC(=O)N2CCCCC2)nc2ccsc2c1=O 57425839 FRIZENSRMNKCHF-UHFFFAOYSA-N 367.496 2.209 0 40 FEAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 35877333 LRWGXKLZCZFPDZ-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB Cc1ccc(-c2ccc(=O)n(Cc3nnnn3-c3ccccc3)n2)s1 58194341 QOBZRNRKYYLAJV-UHFFFAOYSA-N 350.407 2.304 0 40 FEAB O=C1CCc2cc(OC[C@H](O)CNc3ncnc4sccc34)ccc2N1 58180102 AABZGKCEGGPTHW-GFCCVEGCSA-N 370.434 2.428 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58190872 UTYZAIWYMIOKAT-APPDUMDISA-N 353.378 2.044 0 40 FEAB Cc1ccc(OCC(=O)NCCCNC(=O)COc2ccc(C)cc2)cc1 2136097 GPCQHZFSGHEHHO-UHFFFAOYSA-N 370.449 2.384 0 40 FEAB CC(C)CNC(=O)c1[nH]nc2c1COC[C@]21CCN(Cc2ccco2)C1 306142325 WVZYSQUPIYFNPE-LJQANCHMSA-N 358.442 2.062 0 40 FEAB C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)NCc1ccco1 28632804 CMDOHFSUSWZYCM-SECBINFHSA-N 353.172 2.299 0 40 FEAB C[C@@]1(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC1(Cl)Cl 3517955 RUVBNFACVDQWRX-AWEZNQCLSA-N 357.193 2.099 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 13112981 PAVHPWLJKRMLTJ-UHFFFAOYSA-N 358.463 2.194 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C)O2 38833200 XQOXJEOSFNJYEM-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146326 RLXFJLAFBHRVGP-ZDUSSCGKSA-N 366.414 2.127 0 40 FEAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NC2CCCC2)s1 5151103 MWNHHMOIWYWEDK-UHFFFAOYSA-N 366.439 2.331 0 40 FEAB Cc1cccc(OCCNC(=O)CSc2nc3nc(C)cc(C)n3n2)c1 7719483 JGBARFNQGRLDBO-UHFFFAOYSA-N 371.466 2.337 0 40 FEAB CCc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1C(=O)OC 14180774 SFCKTHPUESUZPW-SNVBAGLBSA-N 363.370 2.153 0 40 FEAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c(C)c1 6679660 DSUFMXRNGPTQCP-UHFFFAOYSA-N 357.435 2.326 0 40 FEAB Cc1ccc(-c2n[nH]c(SCC(=O)NC(=O)c3cccn3C)n2)cc1 8734495 DEKKLBIZZRVMGF-UHFFFAOYSA-N 355.423 2.167 0 40 FEAB Cc1nn(C)cc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 96011983 PLLICKVWAZUKKG-UHFFFAOYSA-N 365.437 2.095 0 40 FEAB COC(=O)NCCCc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)no1 96009125 YDOUVXVTBNSJEH-NSHDSACASA-N 354.407 2.430 0 40 FEAB COc1cc2nc(C)n(CC(=O)NCc3ccccc3)c(=O)c2cc1OC 72325143 CHGOZCZDOVQHMY-UHFFFAOYSA-N 367.405 2.039 0 40 FEAB biogenic COc1ccc2nc(NC(=O)COc3cn(C)c(C)cc3=O)sc2c1 72404476 STYVCJRFXQBESW-UHFFFAOYSA-N 359.407 2.330 0 40 FEAB CN(C)Cc1nnc([C@H]2CCCN(c3cnc4ccccc4n3)C2)n1C 77319067 FGIIBBHIJRIUOQ-AWEZNQCLSA-N 351.458 2.204 0 40 FEAB C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 95463364 LPSOYRIUAGMHOM-OAHLLOKOSA-N 369.469 2.425 0 40 FEAB C[C@H](C(=O)Nc1nncn1-c1ccccc1)n1nnc(-c2ccccc2)n1 95456433 YECKTLYNEQXQHG-CYBMUJFWSA-N 360.381 2.121 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1 22531514 MSIRXKOAEJZLBN-INIZCTEOSA-N 361.467 2.297 0 40 FEAB O=C(c1cnccn1)N1CC2(C[C@H](COCC3CC3)CCN2CC2CC2)C1 306131046 JVHOUHZHXLNKDS-GOSISDBHSA-N 370.497 2.220 0 40 FEAB CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3ccc4ncccc4c3)C2=O)nn1 548007354 PTDRLOMAGYYUBJ-KRWDZBQOSA-N 364.409 2.070 0 40 FEAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)NC1=S 409082019 RJTQNGNTYMMOMQ-WQLSENKSSA-N 364.423 2.016 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(C(=O)O)c1 4776367 OJOOHJOLGXYNRB-SUNKGSAMSA-N 371.422 2.239 0 40 FEAB CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)n(C)n1 71195663 LRQPBFNBRQOOBG-OAHLLOKOSA-N 350.426 2.371 0 40 FEAB COc1cccc2c1ccn2CCNC(=O)C1(n2cnnn2)CCCCC1 71281501 IQIVQNXUQJDWNM-UHFFFAOYSA-N 368.441 2.112 0 40 FEAB CC[C@@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1cc(Cl)cn1 36614992 JEHFYENPIKMRCS-ZDUSSCGKSA-N 359.883 2.381 0 40 FEAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218586746 CPCIUZYFGZHWEX-HDMKZQKVSA-N 368.499 2.118 0 40 FEAB Cc1nc2ccccc2c(=O)n1CCC(=O)NCCN1CCCC[C@H]1C 32931443 KEOCWNRNFOJZFB-OAHLLOKOSA-N 356.470 2.086 0 40 FEAB Cc1nnc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)s1 61984107 FDYMUVRWARSACV-SECBINFHSA-N 361.452 2.407 0 40 FEAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223521254 HUDZCUFCXRUDTB-NSHDSACASA-N 368.484 2.481 0 40 FEAB COc1cccc(N(C)C(=O)c2sc(NS(C)(=O)=O)nc2C)c1 225876470 GCFGXGAMZXRFBX-UHFFFAOYSA-N 355.441 2.108 0 40 FEAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1cccnc1 77104241 YVMPYCDGRIADPT-UHFFFAOYSA-N 358.467 2.077 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1 223280887 IIQAFSZAILWPFE-UHFFFAOYSA-N 360.848 2.019 0 40 FEAB Cc1oc(C)c(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1C(=O)O 576940554 RRXAGBUHXZVERM-HONMWMINSA-N 357.428 2.077 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)n1 96048683 PTKDTYNGLDGZEP-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB O=C(Cc1ccccc1)N1CCC2(CC1)C[C@H](Nc1cnccn1)CO2 96224794 KXRVMEZPQZGRQM-KRWDZBQOSA-N 352.438 2.281 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 96112758 YYICPDRRFIYVNX-AWEZNQCLSA-N 370.384 2.218 0 40 FEAB biogenic,in-vitro COc1ccn2c(C(=O)N3CC[C@@H](c4nc(C5CC5)no4)C3)cnc2c1 580185765 VNJDMVSMVIZKPM-GFCCVEGCSA-N 353.382 2.233 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccnnc2)C3)n1 247854076 BSHMJZGZOPIPLZ-MRXNPFEDSA-N 356.451 2.097 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 248103064 FGTSLNAPYZRSSR-OAHLLOKOSA-N 350.426 2.001 0 40 FEAB CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 257269727 MRDJQYJULGZLAP-FQEVSTJZSA-N 374.460 2.288 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257284689 PDUYKJXHOGHXAR-ZDUSSCGKSA-N 354.410 2.258 0 40 FEAB C[C@H]1CN(C(=O)Nc2cnn(C)c2-c2ccccc2)C[C@@H](C)S1(=O)=O 289556067 AAGHMXYIOQYSSQ-BETUJISGSA-N 362.455 2.126 0 40 FEAB Cn1cc(/C=C/C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)cn1 48159137 VDJSRJKZKIHMDI-BQYQJAHWSA-N 363.421 2.320 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 606919248 XFLGHDUADCMYQF-SNVBAGLBSA-N 357.336 2.436 0 40 FEAB CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1CCN1C(=O)CNC1=O 661741543 WGTZGYBEZWFYPF-CQSZACIVSA-N 351.834 2.044 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCCCn1ccc2cccnc21 96353453 LESLGAUEZCWXIG-UHFFFAOYSA-N 371.462 2.407 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 96388754 GDQTUCVBEHFLDA-MRXNPFEDSA-N 374.368 2.055 0 40 FEAB CO[C@]1(CCC(=O)NCc2cccc(F)c2F)CCCN(C(C)=O)C1 585280858 QMNPCYSYKOJLTA-SFHVURJKSA-N 354.397 2.389 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)Cn3ccc(C4CC4)n3)C2)cc1 585276513 PJFPEEHXULEHES-HXUWFJFHSA-N 355.438 2.111 0 40 FEAB CC(C)(O)CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110438 VZKKIMFJYLJKRU-UHFFFAOYSA-N 369.465 2.490 0 40 FEAB O=C(c1cocn1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615160356 ZOBLSDCWHFVYJH-LJQANCHMSA-N 373.384 2.242 0 40 FEAB COCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O 5016122 GIAKKIFHMZPIOD-UHFFFAOYSA-N 373.434 2.044 0 40 FEAB COCCNC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12157027 IPZDBMQTBUYGTC-KRWDZBQOSA-N 360.454 2.438 0 40 FEAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2ccccc2)CC1 19289066 BWWALHKXUBGKIV-UHFFFAOYSA-N 361.449 2.440 0 40 FEAB CC(C)NC(=O)CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19449894 BUPRYELXRASVPV-CYBMUJFWSA-N 351.834 2.409 0 40 FEAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccc(O)cc2)C1 19573226 VQHVOORITYVFQS-LBPRGKRZSA-N 353.469 2.027 0 40 FEAB CN(C)CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696241 TUVDPZCSNDTSJB-HXUWFJFHSA-N 369.509 2.392 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC(COc3ncccc3C)CC2)CC1 1775995627 BYPBCGVVZZQJRX-UHFFFAOYSA-N 359.470 2.266 0 40 FEAB O=C(CN1CCN(c2nc3ccccc3o2)CC1)NCc1ccccc1 23043348 JXZDZBVPQQNFLY-UHFFFAOYSA-N 350.422 2.266 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc4nsnc4c3)C2)c1F 245171843 XYAGYJTZGIFYGA-LLVKDONJSA-N 373.413 2.476 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(CC[C@H](C(=O)N3CCCC3)C2)CC1 1565548752 JBGVCVPFRXLBDQ-SFHVURJKSA-N 370.497 2.441 0 40 FEAB O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4088628 QIAPILCHBKVUKT-UHFFFAOYSA-N 367.430 2.482 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCCCC1 4479099 RWXHLLGGRKMIPU-UHFFFAOYSA-N 371.828 2.248 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 4941506 KHBPIIXQLZGDOP-LBPRGKRZSA-N 352.818 2.389 0 40 FEAB O=C(COc1ccc(F)cc1)NCc1nnnn1-c1ccc(Cl)cc1 9570768 AOYUXUKRPKWIFF-UHFFFAOYSA-N 361.764 2.150 0 40 FEAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3nccs3)ccc21 22732808 PUPMFUTWULQPMX-UHFFFAOYSA-N 358.467 2.213 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cnc2ccccc2n1 38630261 BSRLDBXNBILWPB-KRWDZBQOSA-N 352.394 2.026 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(-c2cccnc2)on1 575618062 DKFLOPHJRDAMEX-UHFFFAOYSA-N 363.377 2.188 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)NCCc2ccccc2)C1 100628843 HDRQJSZCCUNXEC-IRXDYDNUSA-N 353.491 2.385 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 40104267 YDZJYPSHXQZAFG-CQSZACIVSA-N 359.426 2.386 0 40 FEAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N(C)C 40161401 UVSPNZBRIWARQH-MRXNPFEDSA-N 352.431 2.416 0 40 FEAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCN4CCOCC4)[C@H]3C=C12 20113290 UHKHUDBVTXBLLN-JFQNMGATSA-N 362.514 2.222 0 40 FEAB biogenic CS(=O)(=O)Nc1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 30646588 VORBVMRGFURPOR-QGZVFWFLSA-N 360.435 2.272 0 40 FEAB O=C(COC(=O)c1cnn2cccnc12)NC1(c2ccccc2)CCC1 50660707 XQSOSSKVJVKKEO-UHFFFAOYSA-N 350.378 2.082 0 40 FEAB O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1F 31776563 KCDFEQKWVIQCOP-UHFFFAOYSA-N 350.350 2.405 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 1100034 VKBUEMJCNFKPSM-UHFFFAOYSA-N 364.854 2.203 0 40 FEAB CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 4958103 RQCYXLSDSUTWTC-VIFPVBQESA-N 352.239 2.018 0 40 FEAB Cc1ccc2nc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)sc2c1 101919626 UETTYXPGSJFIKN-VXGBXAGGSA-N 355.419 2.494 0 40 FEAB Cc1ccc(N)c(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 46279295 BGABLUOUEHNSKV-INIZCTEOSA-N 367.449 2.471 0 40 FEAB CN(Cc1cccs1)C(=O)CNC(=O)c1ccc(Br)o1 8938491 MYIKZSIHPYULLF-UHFFFAOYSA-N 357.229 2.492 0 40 FEAB COc1ccc(Br)cc1CN(C)C(=O)c1nccnc1N 32860444 IXTSNGONHMEULU-UHFFFAOYSA-N 351.204 2.102 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O 37162903 UPQXURHTMIINAN-CYBMUJFWSA-N 360.863 2.410 0 40 FEAB CCOC(=O)c1cc2cc(C(=O)N3CCCC[C@H]3C(=O)NC)ccc2[nH]1 33213446 DQGYBJKVDKCHHL-INIZCTEOSA-N 357.410 2.085 0 40 FEAB CCN1CCC(NC(=O)CN(CC)Cc2ccc(OC)c(F)c2)CC1 20954006 DVYZXQPIYOPXPH-UHFFFAOYSA-N 351.466 2.257 0 40 FEAB C[C@@H]1CCc2c(sc3nnn(CC(=O)NCc4ccccc4)c(=O)c23)C1 958782 HWXKMLJEYVPKTI-GFCCVEGCSA-N 368.462 2.294 0 40 FEAB O=C(NCCC(=O)N1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 24895730 TVRKVWUSTMUSGF-UHFFFAOYSA-N 368.433 2.325 0 40 FEAB COc1cccc([C@@H]2[C@H](C(=O)Nc3nccs3)[C@@H](C)Nc3ncnn32)c1 104611303 CRQDODVQDBSDOA-LERXQTSPSA-N 370.438 2.402 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc2NC1=O 24390335 YPMCWLJIRRWHAX-SNVBAGLBSA-N 371.418 2.236 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccn1)NCCc1ccc(Cl)cc1 8133232 RUOJEQPGJODECL-UHFFFAOYSA-N 352.221 2.477 0 40 FEAB Cc1ccc2c(CC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)coc2c1 24675537 KAHCMPJWZAKFBL-OAHLLOKOSA-N 364.467 2.214 0 40 FEAB O=C(Nc1ncccn1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 12552152 QKXWLRRDDXQVPE-SNVBAGLBSA-N 361.199 2.231 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12647708 UUKSFGLPZRKMKQ-LBPRGKRZSA-N 371.416 2.234 0 40 FEAB O=C(NN1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12697129 JGQKXKISTJCWLM-UHFFFAOYSA-N 365.499 2.382 0 40 FEAB O=C(Cn1nnnc1-c1ccc(Br)cc1)Nc1nccs1 8297695 GYPUICQQLLWTBQ-UHFFFAOYSA-N 365.216 2.198 0 40 FEAB Cn1c(CSc2nnc(-c3ccco3)n2CC(N)=O)nc2ccccc21 58208909 DSVRPJFSDOCPRI-UHFFFAOYSA-N 368.422 2.202 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1C 58228856 YGQCVMYNNRDUPU-AWEZNQCLSA-N 363.458 2.185 0 40 FEAB CC(C)CCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58324269 CTSFBKJASMGLRK-IAGOWNOFSA-N 355.438 2.423 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)[C@H](C)CCC3 2208465 DVJMJYPDURGUCX-SNVBAGLBSA-N 372.498 2.379 0 40 FEAB CN(Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408705335 CMTPMGUHSQJBHP-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)CCO2 10721541 UGRRECYGIRDREX-UHFFFAOYSA-N 356.403 2.258 0 40 FEAB COc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1 3493546 VCYHHZKNFSDAJB-UHFFFAOYSA-N 360.395 2.283 0 40 FEAB COC(=O)Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 12937272 BKZUZCIUAGTPTJ-ZDUSSCGKSA-N 371.389 2.215 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccccc1F 13731067 YXRFIFILOMRWID-UHFFFAOYSA-N 353.353 2.499 0 40 FEAB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 4400357 UEZSXWCRPVLAIU-UHFFFAOYSA-N 372.465 2.411 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 25081341 VCQLQRCAKQMWPQ-CYBMUJFWSA-N 367.448 2.186 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 65589793 VLYCYHHTPIXEDK-OAHLLOKOSA-N 353.827 2.207 0 40 FEAB Cn1c(Sc2ncnc3c2cnn3C)nc2sc3c(c2c1=O)CCC3 14184389 CRDROKQJAMCTMG-UHFFFAOYSA-N 370.463 2.312 0 40 FEAB CNc1nnc(SCCC(=O)Nc2ccc3c(c2)OCCO3)s1 14180850 DBJBZPDRFFWNNO-UHFFFAOYSA-N 352.441 2.472 0 40 FEAB Cc1nc2nc(CCNC(=O)COc3ccc(Cl)cc3)cn2nc1C 6665187 OWTJIJCGSXMWSU-UHFFFAOYSA-N 359.817 2.132 0 40 FEAB Cc1ccc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)c(C)s2)cc1 8709356 DAPPLLBVIARDMY-UHFFFAOYSA-N 357.439 2.150 0 40 FEAB NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 8775028 QLXJRZGTFAOVTD-OAQYLSRUSA-N 363.417 2.459 0 40 FEAB CC(C)c1ccccc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993205 HWPFQUTXLWHIRM-UHFFFAOYSA-N 359.426 2.475 0 40 FEAB C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)C1 7347377 WWYWJUIYASIBCZ-AWEZNQCLSA-N 360.483 2.165 0 40 FEAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 70871000 OJLHLDHRPYMCCN-QGZVFWFLSA-N 363.417 2.291 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)CS2 9218549 QYFGBOYSXRMPFW-OAHLLOKOSA-N 370.430 2.245 0 40 FEAB C[C@@H]1COc2ccccc2CN1C(=O)CN1C(=O)c2ccccc2C1=O 96007831 YJPZRGHUIONEAS-CYBMUJFWSA-N 350.374 2.092 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3c3noc(C)n3)[nH]n2)cc1 96000919 CBDMJCKAVIQWEP-MRXNPFEDSA-N 353.382 2.290 0 40 FEAB O=C(Nc1ccc(-n2cncn2)nc1)c1cccnc1OCC(F)(F)F 24975638 DGUIGXJHGYSVLD-UHFFFAOYSA-N 364.287 2.251 0 40 FEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1F 9364533 UDEZDFLKHYFKMF-UHFFFAOYSA-N 359.357 2.335 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)c(OC)c1OC 19841984 OJVPBCAUJXKSKK-UHFFFAOYSA-N 371.437 2.065 0 40 FEAB CN[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870894 MSIWXWCTOIBVHK-SECBINFHSA-N 353.307 2.192 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(Br)cc1 97230312 DFKLMNPQPLXLDE-LSDHHAIUSA-N 355.276 2.425 0 40 FEAB CC(C)n1cnc([C@H]2CN(C)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306132132 KZRDHHRWLCAOLQ-YLJYHZDGSA-N 353.470 2.307 0 40 FEAB Cc1csc(CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 121287830 WGXGJXKJKWWFED-UHFFFAOYSA-N 371.459 2.224 0 40 FEAB Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3F)CC2)cc1 35311193 GPGAAOUIWYRCIB-UHFFFAOYSA-N 370.407 2.322 0 40 FEAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306137944 RKNQIDSOFXLOGS-MJGOQNOKSA-N 369.446 2.435 0 40 FEAB NS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 531169083 YOQDXEYGGLOQGE-YDHLFZDLSA-N 374.466 2.142 0 40 FEAB NC(=O)C1CCN(c2ncc(-c3ccncc3)c(-c3cccnc3)n2)CC1 72342345 LPSNKYYRAACDME-UHFFFAOYSA-N 360.421 2.302 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 79440169 PVEVAFPYOJNCBV-BBRMVZONSA-N 362.426 2.342 0 40 FEAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(C(=O)O)c1 565043913 OAIKQNCWXQRUNX-UHFFFAOYSA-N 368.389 2.418 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cnccn2)n1 75157969 HBPIFLLKGKVYMM-CYBMUJFWSA-N 365.393 2.468 0 40 FEAB O=C(c1cocn1)N1CCC2(CC1)CO[C@@H](COCc1ccccn1)C2 96106193 STGATXHTKPATLJ-MRXNPFEDSA-N 357.410 2.298 0 40 FEAB CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 578115969 XXWRBKQNZDNCTM-MRXNPFEDSA-N 370.457 2.251 0 40 FEAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1ccc2[nH]ccc2c1 95473929 SMSJVOZAHIKSCS-UHFFFAOYSA-N 350.353 2.447 0 40 FEAB CN1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 96076180 CGHLHFPFXSFFBI-SFHVURJKSA-N 362.861 2.172 0 40 FEAB COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)COc2ccccc2)COC1 96112464 APKXPDZNFYHFRD-AWEZNQCLSA-N 367.405 2.311 0 40 FEAB biogenic,in-vitro COCc1nc([C@H]2CCCCN2C(=O)C2=Cc3ccccc3OC2)n[nH]1 583785883 YBDWYOSDOVYSPR-OAHLLOKOSA-N 354.410 2.481 0 40 FEAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cccn1C)C2 248114232 IFQHUISPHXEZNU-INIZCTEOSA-N 354.454 2.036 0 40 FEAB Nc1cnc(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 257218501 DDJGPFPSERGCBX-CYBMUJFWSA-N 354.410 2.273 0 40 FEAB COc1cccc2c1OC[C@@H](NC(=O)c1cnc(OCC3CC3)cn1)C2 585081194 GBFJJNFINBKBQQ-AWEZNQCLSA-N 355.394 2.008 0 40 FEAB Cc1cc(-c2ncc(C)s2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257307241 SXUVWZHKWYQHMJ-ZDUSSCGKSA-N 367.500 2.160 0 40 FEAB Cc1nc(C)c(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)s1 257204905 AWUVXVQMGPMZML-GJZGRUSLSA-N 357.435 2.016 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CCc2cccc(F)c2)n1 257201660 AILREMLUFFQESN-INIZCTEOSA-N 358.417 2.499 0 40 FEAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ncccc2F)cn1 253601376 QUMIKZIMYJVDQX-AWEZNQCLSA-N 372.400 2.019 0 40 FEAB O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCCN1Cc1ccncc1 1117136176 GHIDYHQLVOTRFE-SFHVURJKSA-N 353.470 2.285 0 40 FEAB Cc1cccc2c(CCNC(=O)[C@H]3CC[C@H](C(=O)O)N3C3CC3)c[nH]c12 630656905 JXTCFEXISCYPNR-IAGOWNOFSA-N 355.438 2.215 0 40 FEAB COc1ccc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 53464138 LKNFPSWZGAZZRI-VYDXJSESSA-N 363.483 2.037 0 40 FEAB biogenic COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCc3nnc(C(C)C)n3C1)C2 654522950 PYCGHFXAFWSGLG-OAHLLOKOSA-N 355.442 2.450 0 40 FEAB Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H](C)n2cnc3c(N)ncnc32)c1 669253365 YCMCFDINACCYDV-KGLIPLIRSA-N 352.442 2.334 0 40 FEAB CCOc1ccc2[nH]c(=O)c(CN3CCCN(C(=O)C4CC4)CC3)cc2c1 67491278 ORWUTEUBFHHGPM-UHFFFAOYSA-N 369.465 2.371 0 40 FEAB CC[C@H]1C[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(=O)N1 680431290 URUGNASWDNQGHA-UXHICEINSA-N 371.525 2.458 0 40 FEAB COc1ccc(N2CCN(CC(=O)Nc3onc4c3CCCC4)C2=O)cc1 49383686 VYAVXKMRXXYVRB-UHFFFAOYSA-N 370.409 2.443 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(C)C(=O)c2ccc(C(N)=O)cc2)c(C)c1 51202572 QFZPKUFWRIQODC-UHFFFAOYSA-N 360.435 2.172 0 40 FEAB O=C(CC1CCOCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160919 UQKWJQMEMHWAFU-NRFANRHFSA-N 372.465 2.228 0 40 FEAB COc1ccc(CNC(=O)CCC(=O)NCc2ccc(OC)cc2)cc1 5513733 ZKLSWMINFBONDT-UHFFFAOYSA-N 356.422 2.417 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 12200263 WIIRJUVPJPXIHE-UHFFFAOYSA-N 366.345 2.419 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1C 208038360 CKCMNPGAEKXTIW-UHFFFAOYSA-N 372.450 2.102 0 40 FEAB COC(=O)COc1cccc(CNC(=O)C2=Cc3cc(F)ccc3OC2)c1 536395071 MFJRLWRSSSKZEB-UHFFFAOYSA-N 371.364 2.470 0 40 FEAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 25196750 ZEMUNGAHKUECBS-SECBINFHSA-N 350.758 2.259 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNS(=O)(=O)Cc1ccccc1 1775963810 DUADZSYPNZHAGQ-VIBAHUMZSA-N 362.495 2.142 0 40 FEAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1 4033830 KZHFWUIYYSLCRT-UHFFFAOYSA-N 367.336 2.120 0 40 FEAB O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(F)cc1 10324707 AXBVHHMMDJKMHJ-UHFFFAOYSA-N 363.370 2.233 0 40 FEAB Cc1cc(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)ccc1F 23143701 XOXKQFXVJXBTPZ-UHFFFAOYSA-N 353.371 2.220 0 40 FEAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CO4)cc2c1C 575615940 JSUHKUKWPWQCPI-NWDGAFQWSA-N 365.407 2.080 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1F 19559588 XMCRZPCXUDUIPG-QGZVFWFLSA-N 370.428 2.176 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(C)N2 100301694 PCPSSVRYJVQAGE-LBPRGKRZSA-N 358.423 2.281 0 40 FEAB C[C@H](Cn1ccnc1)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 40092410 VZKOILFQWUYVPT-ZIUDEIKKSA-N 358.486 2.111 0 40 FEAB Cc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c2c(C)nn(C)c2n1 31413798 JJNURUAZUMUARD-UHFFFAOYSA-N 373.363 2.232 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2 17305444 GEFPFSGPMDFRQQ-UHFFFAOYSA-N 356.422 2.230 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccco1 3545296 JQJSJFSYOCEDGP-UHFFFAOYSA-N 350.758 2.187 0 40 FEAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O 101369979 ZPEHBLCYNOKYIB-IMNGKGHESA-N 369.377 2.108 0 40 FEAB COc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc(OC)c1Br 7269522 PLJSMMPXPYHSJJ-QMMMGPOBSA-N 372.215 2.290 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10371414 GEAMQGNQYLNUIJ-UHFFFAOYSA-N 362.451 2.348 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 8276975 UOUIUOIISCZQML-MRXNPFEDSA-N 358.394 2.137 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)c(OC)c1 33048534 KNLKIGSDIOCARX-UHFFFAOYSA-N 370.452 2.202 0 40 FEAB Cc1ccc(-c2nc(CC(=O)/N=c3/[nH]nc(-c4ccccn4)[nH]3)cs2)o1 53526941 WZGDEXWSJYPTTK-UHFFFAOYSA-N 366.406 2.495 0 40 FEAB COC(=O)C(C)(C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 23152328 URFMEYPWFZRISG-MDZDMXLPSA-N 358.438 2.006 0 40 FEAB O=C(Cc1ccc(Br)cc1)N1CCN(C[C@H]2CCCO2)CC1 23640420 NCBBLWZXRNXKBF-MRXNPFEDSA-N 367.287 2.315 0 40 FEAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CN(C)CCO1 105471377 ACSNFXCRNKCWDI-OAHLLOKOSA-N 350.413 2.188 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 105762663 PIVGQEHQPNRFEU-OSFYFWSMSA-N 355.438 2.264 0 40 FEAB CCCCC(=O)N[C@](NC(=O)NCC(C)C)(C(=O)OCC)C(F)(F)F 12419530 FXSPSDZEXVHJJQ-AWEZNQCLSA-N 369.384 2.070 0 40 FEAB CC(C)(C)NC(=O)c1ccc(NC(=O)NCC(=O)NCC(F)(F)F)cc1 47483330 RWGNOUUMGHNGIT-UHFFFAOYSA-N 374.363 2.015 0 40 FEAB CC(C)CCN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO 105624752 CKWWAJQMLOGOJP-HXUWFJFHSA-N 374.529 2.131 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 25748711 NPYPJVRBHFEYPY-UHFFFAOYSA-N 358.463 2.048 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CCC2 25768999 NVFHOOCJGSGLLS-VIFPVBQESA-N 369.443 2.076 0 40 FEAB COCCCn1c(O)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1 26341341 HDZAGBBPVMYUIU-JTQLQIEISA-N 354.407 2.279 0 40 FEAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCNC(=O)C2)cc1 57352218 UACZXHQVLIEZLK-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(C)c(=O)c2[nH]1 57522136 NTDRHTZTKNAFLG-UHFFFAOYSA-N 363.830 2.349 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCc2ccccc2C1 58193464 UBCLEQOGKUHUAV-KRWDZBQOSA-N 374.444 2.357 0 40 FEAB COC(=O)COC(=O)c1ccc(NC(=O)COCc2ccccc2)cc1 118694277 CIDNNCXDUXBYIR-UHFFFAOYSA-N 357.362 2.172 0 40 FEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Br)cc1 3288451 KQAQNTKDEZGGGA-UHFFFAOYSA-N 357.204 2.230 0 40 FEAB Cc1cc2oc(=O)cc(Cn3nnn(-c4cccs4)c3=O)c2cc1C 10813494 YCEDBOGFNSVNCB-UHFFFAOYSA-N 354.391 2.262 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1 10813763 AIUDNDDEOBCKEF-UHFFFAOYSA-N 352.500 2.438 0 40 FEAB CCc1nn2c(=O)cc(CN(C)Cc3ccc4c(c3)OCO4)nc2s1 28730636 WYWVFHGRKJPCKH-UHFFFAOYSA-N 358.423 2.074 0 40 FEAB CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 306141078 VKVJWUPJYNGNIB-AEFFLSMTSA-N 352.862 2.226 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 3314430 FAFCFDWMWRXWHD-NRFANRHFSA-N 365.433 2.469 0 40 FEAB C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 3352542 XIWQWINODCHMQP-SNVBAGLBSA-N 365.821 2.060 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cn2)cc1OC 12728248 GFEKMRCRKXTONP-UHFFFAOYSA-N 357.410 2.117 0 40 FEAB COc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1Cl 12775710 SIRZEMULQLFCRC-UHFFFAOYSA-N 350.806 2.072 0 40 FEAB COc1ccc(C)cc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 12780028 WUXIUYHKZDCCBQ-MRXNPFEDSA-N 352.394 2.062 0 40 FEAB O=C1COc2ccc(S(=O)(=O)NCC3(c4ccccc4)CCC3)cc2N1 48235752 FTXOJCMMSDLGNE-UHFFFAOYSA-N 372.446 2.418 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12862859 VGENCKPJKGRAHU-AWEZNQCLSA-N 354.406 2.373 0 40 FEAB CCNC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3489280 WAXGDCZTJJFHKE-UHFFFAOYSA-N 350.378 2.227 0 40 FEAB C[C@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12935360 JOFMVOLPXHUIDO-LBPRGKRZSA-N 368.455 2.175 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(C)c1 8233426 JOZOIFAOLFGTSK-AWEZNQCLSA-N 370.405 2.304 0 40 FEAB O=C(CSc1nnc2n1CCCCC2)NCc1ccc2c(c1)OCO2 6098262 VAIWCFKCTHRNEN-UHFFFAOYSA-N 360.439 2.142 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1 39581390 XAAOXYCETGYLNS-UHFFFAOYSA-N 356.378 2.127 0 40 FEAB C[C@]1(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CCS(=O)(=O)C1 49959211 YICCHUPLOPOWEY-KRWDZBQOSA-N 367.398 2.305 0 40 FEAB COc1ccc(Cc2c(N3CCOCC3)nc3n(c2=O)CCCS3)cc1 5240857 CXVAHCAPBUEULT-UHFFFAOYSA-N 373.478 2.175 0 40 FEAB COc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@](O)(C(F)(F)F)C2)cc1 4478246 QYPHUBOSHWRCGQ-OAHLLOKOSA-N 367.331 2.241 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)-c1ccccc1OC2 5304503 YRXRQWOYWALJOQ-UHFFFAOYSA-N 358.375 2.016 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1F 6449860 RQGIMTMRTDUWNF-INIZCTEOSA-N 355.369 2.236 0 40 FEAB COc1ccc(CN2CC[C@]3(C2)CN(S(C)(=O)=O)c2cccnc23)cc1 306130143 IXLJNISILNJFGM-IBGZPJMESA-N 373.478 2.014 0 40 FEAB CC(C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 14222008 VBPGOSYCGIDNGB-UHFFFAOYSA-N 366.215 2.061 0 40 FEAB Cc1ccc(OCCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 14201185 BHOQCZIPSNSUCM-OAHLLOKOSA-N 366.417 2.483 0 40 FEAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 6576850 GLRLETCXFWLLIY-OYNCUSHFSA-N 369.807 2.316 0 40 FEAB O=C(COc1ccc(Cl)c2ccccc12)N[C@H]1CCS(=O)(=O)C1 6642953 OXQCIQPACSGVEK-NSHDSACASA-N 353.827 2.175 0 40 FEAB COc1ccc(F)cc1C(=O)CN1C(=O)c2ccccc2O[C@@H](C)C1=O 6661371 IHCAOPBBLKGETJ-NSHDSACASA-N 357.337 2.467 0 40 FEAB C[C@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 6938636 SFXQDLYUOBMHBB-ZDUSSCGKSA-N 370.380 2.077 0 40 FEAB O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2cccnc2)cs1 6969345 VJJUKLNQCGZUEY-UHFFFAOYSA-N 368.418 2.339 0 40 FEAB Cc1cccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 67320281 RCSISYIWBMFZLU-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB C[C@@H]1CN(CCCCNCc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 67452565 WTGOKLFQRMGRQG-IAGOWNOFSA-N 357.502 2.461 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(C)o1)CC2 18540273 LULRRASJBHDOAO-UHFFFAOYSA-N 359.378 2.347 0 40 FEAB C[S@](=O)c1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1 72277564 DCWXCYCBUHLBTC-RUZDIDTESA-N 366.389 2.461 0 40 FEAB Cc1cccc(CS(=O)(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 84210729 CSRWFRWCJHZWEZ-IRXDYDNUSA-N 354.516 2.304 0 40 FEAB COC(=O)[C@@H](NC(=O)CCc1c(C)nc2cc(C)nn2c1C)C(C)(C)C 78823591 MTFOKCFCIDYTTG-QGZVFWFLSA-N 360.458 2.291 0 40 FEAB Cc1noc2ncc(C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)cc12 95997992 ZDICZPJCGJYLRS-UHFFFAOYSA-N 360.377 2.487 0 40 FEAB COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)n[nH]c1C 79473666 RNTCODHXVWYJND-LLVKDONJSA-N 350.371 2.145 0 40 FEAB CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)C(C)C 79814634 HMJMJAMUUPMEFC-INIZCTEOSA-N 358.446 2.003 0 40 FEAB Cn1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2=O)cn1 89774717 LTBOVVUJPAOOGA-UHFFFAOYSA-N 350.378 2.169 0 40 FEAB CCCCS(=O)(=O)N1C[C@H]2Cc3cnc(Nc4cccnc4)nc3[C@H]2C1 306123640 ASSOPGBLTSTQKJ-ZBFHGGJFSA-N 373.482 2.317 0 40 FEAB CCCN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409233730 WIKZQUWSTIGIMV-WMZJFQQLSA-N 353.172 2.481 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCN(CCc2ccccn2)CC1 35334242 RDXIQYYCTHHSPG-UHFFFAOYSA-N 365.886 2.284 0 40 FEAB CCOC(=O)Nc1cccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1 32828506 LVYRPGSSDHNXAU-KKUMJFAQSA-N 363.458 2.483 0 40 FEAB Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc2c1NC(=O)C2(C)C 71196009 DUGMPKVIWCITPM-TXEJJXNPSA-N 352.456 2.023 0 40 FEAB CC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)O)c3ccccc13)C2O 32124326 AZXNCVUPHOXWKQ-UHFFFAOYSA-N 369.465 2.133 0 40 FEAB biogenic CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(Cl)cc1 72241399 PYDAKWOVMHPAAO-STQMWFEESA-N 351.815 2.334 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCSCC1 71282149 BNDYOXXKHWLFCF-ZIAGYGMSSA-N 362.451 2.171 0 40 FEAB Cc1cccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)n1 72335226 IWBODFPIYANTDD-UHFFFAOYSA-N 368.422 2.065 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C(F)(F)F)cc1 71980056 DHHODYYOCDDWOL-CYBMUJFWSA-N 372.343 2.053 0 40 FEAB O=C(C1CCNCC1)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1 72360775 WHJSZCYMSTZNIU-UHFFFAOYSA-N 354.458 2.254 0 40 FEAB CCCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 49153899 TVJBWZRRFHGMDO-UHFFFAOYSA-N 363.277 2.050 0 40 FEAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccncc3)ccc21 225723874 CQPQXSBKGACENF-UHFFFAOYSA-N 363.464 2.347 0 40 FEAB Cc1nc2ccccc2n1C1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1 525983894 SJIDECNMCUVJLT-HWRSSNJWSA-N 360.483 2.212 0 40 FEAB O=C(CCCOc1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1 40009939 RCEIDSKAZVJANU-UHFFFAOYSA-N 373.497 2.002 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 225806393 FTJTYDRMVACVFP-CQSZACIVSA-N 352.394 2.189 0 40 FEAB CC[C@@H](C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1)c1ccccc1 224311026 YNBJKWAYORKBSG-GOSISDBHSA-N 353.470 2.385 0 40 FEAB COc1ccc(C)cc1NC(=O)c1sc(NS(C)(=O)=O)nc1C 225878172 BOHUWMIUYAARRC-UHFFFAOYSA-N 355.441 2.392 0 40 FEAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)c2ccc3ncccc3c2)CO1 96078586 KPHGAHLIMOYUHE-PXNSSMCTSA-N 356.422 2.271 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)cc1 583622151 SKLYDMNSOPTCTI-UYAOXDASSA-N 357.454 2.476 0 40 FEAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)Cc2ccccc2C)n1 257293579 QQFAFUSWDQQQSF-GOSISDBHSA-N 352.438 2.327 0 40 FEAB Cc1cc(C[C@@H]2COCCN(C(=O)COc3ccccc3F)C2)ncn1 257203692 AREKFMHDXCJIJT-HNNXBMFYSA-N 359.401 2.021 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257243851 IIVPSXBIUMZRCX-HNNXBMFYSA-N 355.398 2.336 0 40 FEAB COc1ccc(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)c(C)c1 96098923 BVAGLOUDFQXPNA-UHFFFAOYSA-N 372.450 2.241 0 40 FEAB O=C(CC1(O)CCCCC1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585276058 IWGFVRKSEWPLMY-LJQANCHMSA-N 351.418 2.253 0 40 FEAB O=C1OC2(CN(Cc3nccs3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162036 MIMAWYZZDNXGOB-INIZCTEOSA-N 370.478 2.034 0 40 FEAB Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3ccsc3n12 12114239 KPELWKQKMYPSIQ-UHFFFAOYSA-N 366.446 2.378 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@@H]2C(C)C)cc1 13119406 YHGMKICHGBYMLR-CZUORRHYSA-N 369.487 2.054 0 40 FEAB Cn1nnc2c(SCC(=O)Nc3ccc(F)c(Cl)c3)ncnc21 13531930 RKYMFUIWQXGIEO-UHFFFAOYSA-N 352.782 2.282 0 40 FEAB CCOc1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 13673180 RQMNTNZMKJINHN-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 15412806 RGPKWQMKPGHWAQ-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CC(=O)N[C@@H](CSCC(=O)c1ccc(Cl)cc1Cl)C(=O)O 16320986 GAPBTADLWKVXOM-NSHDSACASA-N 350.223 2.499 0 40 FEAB Cc1ccc(C(=O)N2CCO[C@@H](c3nc(-c4ncccn4)no3)C2)cc1 19135472 LMOASOVMVBIJIL-CQSZACIVSA-N 351.366 2.049 0 40 FEAB CCc1cc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)on1 19522709 LTNPDMSBGUEUCO-UHFFFAOYSA-N 363.439 2.055 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1ccc(=O)n(C)n1)c1ccccc1Cl 19526298 SAZYHGAZNAEFTA-INIZCTEOSA-N 362.861 2.247 0 40 FEAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2nnc3n2CCNC3)cc1 19705517 GPRZMJMDDGQWEL-INIZCTEOSA-N 369.469 2.031 0 40 FEAB Cc1cccn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc12 19714716 FKWVFYZJYZCWKB-UHFFFAOYSA-N 355.369 2.341 0 40 FEAB O=C(c1ccc(F)cn1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988593 ZKKJCYAVVZBTRD-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB COc1ccc(CN2CCN(c3cc(C)nc4cc(C)nn34)C[C@@H]2C)cn1 2086992551 KOLUAXRMLHCJOI-INIZCTEOSA-N 366.469 2.460 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccc(Cl)cc2)n1 7419077 OERXJMWEJFZHRR-UHFFFAOYSA-N 357.801 2.407 0 40 FEAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)c1ccccc1Cl 11744534 DBUAEHRPPRUXGL-UHFFFAOYSA-N 354.797 2.389 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3cccs3)c2C)n1 16849581 XBMRXVKBQDXIFM-UHFFFAOYSA-N 371.466 2.191 0 40 FEAB O=S(=O)(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cccnc1 206776029 HUDWMKMKVVWYMG-ZDUSSCGKSA-N 358.423 2.170 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)no1 49027025 YERHNFZANLZIFX-UHFFFAOYSA-N 369.381 2.457 0 40 FEAB O=C(NCCn1cc(-c2cccnc2)cn1)c1cc(=O)c2ccccc2o1 585148352 DCLHVVYYJAFBSW-UHFFFAOYSA-N 360.373 2.482 0 40 FEAB O=C1NC2(CCCCC2)C(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 2298050223 ODNHFXPYYDOJOV-UHFFFAOYSA-N 357.389 2.220 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 20610094 XYUOOKWIMSDRCG-QGHHPUGFSA-N 361.394 2.273 0 40 FEAB biogenic COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 40108639 UVCJHECMZKZYGM-AWEZNQCLSA-N 360.435 2.356 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 40285691 DDEQHPNYQWNKAE-UHFFFAOYSA-N 367.327 2.406 0 40 FEAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 36723265 GMFCAGKJNDIXSP-UHFFFAOYSA-N 359.447 2.468 0 40 FEAB COc1cccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1OC 21055926 ZMKIZSPQMKEIBS-OKILXGFUSA-N 350.459 2.321 0 40 FEAB O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680542 SRDWRNHGHNEOQP-UHFFFAOYSA-N 352.437 2.491 0 40 FEAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 6859854 GMOTVGWGNNVTLU-INIZCTEOSA-N 367.492 2.428 0 40 FEAB COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 7306277 XEAUOPXMMFZIIK-OAHLLOKOSA-N 367.810 2.469 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 57731317 USTHFCOXSXYPLF-VXGBXAGGSA-N 373.844 2.487 0 40 FEAB COCCNC(=O)CN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 21672670 UYJSNLQQCIWSCG-UHFFFAOYSA-N 371.437 2.112 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 10313820 BMNJGTGJDOPXAG-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100832342 YMLVJQDQZDAEFW-WOCWXWTJSA-N 368.518 2.353 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 42344547 XUUUASGBIHPWSP-SFHVURJKSA-N 367.490 2.175 0 40 FEAB CCN(CC)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 23403710 VKWGKWWLAFFXCJ-CQSZACIVSA-N 356.879 2.339 0 40 FEAB COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)cc1 12486556 YKXBMVNXPRVWSY-KRWDZBQOSA-N 372.465 2.266 0 40 FEAB O=C(NCCOC[C@H]1CCOC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 68561638 LXHPRDZZGXWKAE-ZDUSSCGKSA-N 374.416 2.067 0 40 FEAB CS(=O)(=O)CCCC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 108795467 UUNDAIZJBNWHPD-AWEZNQCLSA-N 363.838 2.204 0 40 FEAB CN(Cc1ccco1)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 58194372 JLFDXGRXKRIIOD-HNNXBMFYSA-N 366.464 2.002 0 40 FEAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)O)ccc12 2157506 XFWVQZMKJFWRMX-LBPRGKRZSA-N 361.394 2.412 0 40 FEAB biogenic Cc1c(OCC(=O)NCCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2417705 DHNUZAUVGLPVEC-UHFFFAOYSA-N 373.405 2.340 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242677 SLBWWUHTGZPXMN-UHFFFAOYSA-N 372.418 2.173 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1C 69343180 PWDUAUVWWGAAGG-LSDHHAIUSA-N 355.456 2.083 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)NCc1ccc(F)cc1 13681910 JACAFEMEOUDAFC-HNNXBMFYSA-N 359.357 2.140 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(C)c3C)nc2n1 5021417 UMSYXAVNEMHYJA-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6273635 WSOZGZUCEGZYMM-HNNXBMFYSA-N 368.499 2.321 0 40 FEAB O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1CCS(=O)(=O)C1 6974623 OLGLWXYVCAEDGF-SECBINFHSA-N 354.280 2.389 0 40 FEAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F 5989685 PXARANZJVCJPBI-VHSXEESVSA-N 365.249 2.242 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1 15351960 LMLJAOKSAZUULG-OAHLLOKOSA-N 355.438 2.443 0 40 FEAB COc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 15363122 MIKBEVABIWPCSN-UHFFFAOYSA-N 360.479 2.343 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)N1CCN(C(=O)c2ccco2)CC1 8727939 LOPIDVQZKNCYSA-UHFFFAOYSA-N 367.449 2.325 0 40 FEAB CS(=O)(=O)Nc1ccc(C2=NN=C(NC3CCCC3)SC2)cc1 70854012 NUDQFYFYBGXSFO-UHFFFAOYSA-N 352.485 2.397 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@](O)(Cc3cccc(Cl)c3)C2)CC1 89930475 SAAGZRLDCSSGOQ-IBGZPJMESA-N 364.873 2.104 0 40 FEAB O=C(c1ccc(OCc2cscn2)cc1)N1CCN(C(=O)C2CC2)CC1 9385680 PZGFLLZNFLTBJL-UHFFFAOYSA-N 371.462 2.417 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCCO1 9512535 MGPIHUIPLNDTJS-MRXNPFEDSA-N 352.456 2.369 0 40 FEAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)n1nc(C)cc1C 78613243 AHIAVQFOMVPKNO-OAHLLOKOSA-N 359.426 2.465 0 40 FEAB Cc1cc(F)ccc1NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 95394488 ZSWZHAKPJFZMRH-UHFFFAOYSA-N 373.369 2.081 0 40 FEAB CC(=O)c1cccc(OCC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 95458931 FJDVLBHDUMGUGO-SFHVURJKSA-N 371.437 2.218 0 40 FEAB CN(C)CCOCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 95465566 GALFOPAIFGAFJM-UHFFFAOYSA-N 351.447 2.186 0 40 FEAB NC(=O)[C@H]1CC(C(=O)N2CCc3c(Cl)cccc32)=NN1c1ccccc1 79094405 UTGJSFCEBAPREE-QGZVFWFLSA-N 368.824 2.349 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2nccs2)C1 306145000 ZUKRSKIETYQPJJ-LJQANCHMSA-N 365.462 2.309 0 40 FEAB C[C@@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nn1 95998067 ZKVAWIUVOFBXTR-LLVKDONJSA-N 364.833 2.226 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)NC2CCC(N3C(=O)CCC3=O)CC2)n1 89591678 DUQBBRNSYRLTKU-QQFBHYJXSA-N 360.458 2.027 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71980031 QGTKXLKKAZUOJH-ZDUSSCGKSA-N 372.343 2.053 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408603446 JZBMRJYVEZBEER-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)C1=O 1530052447 MYPBMWMYKMANHV-QGZVFWFLSA-N 358.785 2.384 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC[C@H](O)C2)C1 72396052 VGDHYFVFBYCOHX-HOTGVXAUSA-N 356.470 2.246 0 40 FEAB CN(C)CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1F 72377176 OGQBCPSDDCYBBX-INIZCTEOSA-N 357.433 2.480 0 40 FEAB Cn1cnn(CCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1=O 559880614 DPQQEGCLQTWFJZ-HNNXBMFYSA-N 356.451 2.134 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc(-n2cnnn2)ccc1Cl 229703095 BCZKYLBFKNXXNI-DYVFJYSZSA-N 374.876 2.310 0 40 FEAB O=C(NCc1cccc(Br)c1)c1c(O)c2cccnc2[nH]c1=O 49411710 GXWCCOXXVZBWSX-UHFFFAOYSA-N 374.194 2.321 0 40 FEAB O=S(=O)(C1CC1)N1CCN(Cc2csc(C3CCCC3)n2)CC1 528610623 NKNSMAAFNDTCIM-UHFFFAOYSA-N 355.529 2.411 0 40 FEAB CCn1ccnc1CNC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 571622208 SMQVLHDKBVAXFY-IBGZPJMESA-N 354.410 2.223 0 40 FEAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1=O 332859489 AVULQLCBFNAUGW-RDJZCZTQSA-N 371.481 2.123 0 40 FEAB O=C(c1cnoc1)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1 96220157 PGUZIMNBWZMMBT-UYAOXDASSA-N 359.470 2.275 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)COC4=O)CC2=O)cc1 95474938 NNUARALGIYWMIR-LBPRGKRZSA-N 366.373 2.357 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)OC3(C)C)s2)cc1 96117981 UKNXCQIRCXEQFJ-LBPRGKRZSA-N 361.423 2.418 0 40 FEAB Cc1cc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)nc(C)n1 257227556 FPWYBXITPUPUQA-LJQANCHMSA-N 351.406 2.469 0 40 FEAB COc1ccc2[nH]cc(C(=O)N3CCO[C@H](c4nc(C)cn4C)C3)c2c1 257250104 JLAZLEALEACPAJ-KRWDZBQOSA-N 354.410 2.432 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(C[C@@H]3CC=CCC3)C2)c2nccnc21 257239296 HORUMCVFBISZSI-IAGOWNOFSA-N 368.485 2.108 0 40 FEAB CNc1cccc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257272823 NEABOFOBUBTBFY-KRWDZBQOSA-N 357.410 2.160 0 40 FEAB CNc1cccc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257344946 ZZIFNKZHUZBTTI-KRWDZBQOSA-N 354.458 2.087 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)n1ccc(C(F)(F)F)n1 632079549 VQYHPVKJBYLUBV-NWDGAFQWSA-N 353.348 2.253 0 40 FEAB O=S(=O)(c1cccc(Cl)c1O)N1CC[C@H](Oc2cccnc2)C1 632105217 QEJPANGPLCLISK-LBPRGKRZSA-N 354.815 2.283 0 40 FEAB CCn1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)c1C 643887569 SYSWERDXJDVKRX-KRWDZBQOSA-N 356.474 2.282 0 40 FEAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2ccccc2)C1 660065404 WDRKRIYEOVTAGF-CYBMUJFWSA-N 353.831 2.159 0 40 FEAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cccn2C2CCCC2)C1 1775960424 KSJQGYQJXWZVPR-HOTGVXAUSA-N 357.458 2.312 0 40 FEAB CNc1ncccc1C(=O)N1CCC[C@](O)(COc2cccc(F)c2)C1 585277958 YGZJDIJTNWSLQY-LJQANCHMSA-N 359.401 2.309 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 585277087 RZBWUJVIEIDNPJ-FQEVSTJZSA-N 357.454 2.310 0 40 FEAB O=C(CN1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2)N1CCCC1 585102131 SUHZYFAQLNGUNZ-JOCHJYFZSA-N 369.509 2.309 0 40 FEAB CCCc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1 56059088 WGTNAJYHVYFMOH-UHFFFAOYSA-N 360.483 2.376 0 40 FEAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N(CC)CC)cc1 69920882 VSJWWONGYOGGSE-OAHLLOKOSA-N 369.531 2.177 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1F)n1nc(-c2ccco2)cc(N)c1=O 12219798 SMSYOGDOZLVGIP-GFCCVEGCSA-N 370.384 2.145 0 40 FEAB CN(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccco1 12921056 KPKHSLOQTVJGMS-OAHLLOKOSA-N 363.845 2.472 0 40 FEAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Br)cc1 13519016 JQGZXDQESADKOO-HZSPNIEDSA-N 366.259 2.177 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)c2ccc3c(c2)OCCO3)c1=O 19344147 HDYRWWJJTLTLHU-UHFFFAOYSA-N 369.402 2.208 0 40 FEAB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(C)CC2)cc1 19446885 UDFUWUUCPPYUBC-GOSISDBHSA-N 358.490 2.065 0 40 FEAB CCc1nc(N2CCOCC2)ncc1C(=O)N(C)CCOc1ccccc1 19521520 VONZQSJIYWFLTL-UHFFFAOYSA-N 370.453 2.027 0 40 FEAB COc1c(C)cccc1C(=O)N1CCc2nnc([C@H]3CCCN3C)n2CC1 19706301 OIVZKIBVDIPDJG-MRXNPFEDSA-N 369.469 2.060 0 40 FEAB CC(=O)N[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2Br)C1 652389933 PJCPKSQCUTZNGL-CYBMUJFWSA-N 355.232 2.248 0 40 FEAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 644307 IZWRICKVFALSHU-UHFFFAOYSA-N 354.406 2.349 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889191564 QBNXXQUYTULNOJ-NVXWUHKLSA-N 361.442 2.261 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3csnn3)Cc3cccnc32)cs1 1565548140 XPJFDIOFTIRFJB-UHFFFAOYSA-N 372.479 2.361 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(F)cc3)n12 4250309 NAVXTMHELVDEOH-UHFFFAOYSA-N 361.402 2.240 0 40 FEAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccc(F)cc1 7388043 UPTRREIFNIJMGJ-UHFFFAOYSA-N 366.443 2.434 0 40 FEAB COc1cccc(NC(=O)NCc2nnnn2-c2cccc(F)c2)c1OC 9615983 XLHDFWWNRLXDSQ-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 585146941 WVTYHABBLPHEFQ-CQSZACIVSA-N 357.447 2.266 0 40 FEAB O=C1O[C@H](C(=O)NCc2ccc(N3CCCC3)nc2)Cc2ccccc21 23101641 QOFXKAOZBCYTCM-KRWDZBQOSA-N 351.406 2.080 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1 40051184 OAYWLLKGGOIBQK-SNVBAGLBSA-N 367.427 2.193 0 40 FEAB C=CCn1nnnc1SCC(=O)NC[C@@H](C)c1nc2ccccc2s1 50248370 KSZIFSUVGAPTQA-LLVKDONJSA-N 374.495 2.481 0 40 FEAB CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O 1651367 YJFRZJKLQHGSIB-UHFFFAOYSA-N 362.334 2.058 0 40 FEAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6946830 PPELCYVXSNSUGI-JTQLQIEISA-N 353.831 2.427 0 40 FEAB Cc1noc(N)c1C(=O)OCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 60925182 QYNKUDCPDAXNAQ-UHFFFAOYSA-N 361.442 2.397 0 40 FEAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)S1 9386759 DMWIXXOILXHEPP-AWEZNQCLSA-N 365.455 2.372 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)no1 9417932 SBFJGOGODOTOPM-JTQLQIEISA-N 362.773 2.432 0 40 FEAB C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 70018651 PFTGTYHIKVSJGH-CQSZACIVSA-N 357.454 2.169 0 40 FEAB Cn1cc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cn1 53410238 VJGNFCIBBVZOKO-DIKOGFFKSA-N 370.497 2.244 0 40 FEAB O=C(O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 101158200 DKIDUEFGXKKXNI-ZHMBSYLPSA-N 354.399 2.316 0 40 FEAB biogenic O=C(NCc1cccnc1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819543 WSXHOZCLDMAULB-GOSISDBHSA-N 365.364 2.123 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)c2cccc(NC(N)=O)c2)c1 23025357 HIYVPUAWIUWLQS-UHFFFAOYSA-N 358.350 2.234 0 40 FEAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)n2nnnc2N1 950938 XRWJMYYXQUIRQE-OAHLLOKOSA-N 351.345 2.135 0 40 FEAB CN(C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 22273648 RCADYNSJPGHUDS-UHFFFAOYSA-N 358.769 2.213 0 40 FEAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(OCC(N)=O)c1)CC(O)=N2 61718070 ABTXIGVXGAWRDA-VIFPVBQESA-N 362.411 2.181 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1c(=O)oc2ccccc21 24659519 RJMPQYOUFQMXOO-AWEZNQCLSA-N 368.389 2.283 0 40 FEAB O=C(c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCc2ccccc21 24544592 XNKQVOMFJGURIK-UHFFFAOYSA-N 360.410 2.469 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCCOC3CCCCC3)c(=O)[nH]c2c1 24947828 PJOLNIVLDHQCGW-UHFFFAOYSA-N 360.410 2.216 0 40 FEAB COc1ccc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 25418522 BYAFCEYURKTOIL-UHFFFAOYSA-N 353.378 2.399 0 40 FEAB O=C(NC1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1)C1CC1 43852454 DYZNTHBHYBSIDY-UHFFFAOYSA-N 370.453 2.336 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)[nH]1 57520871 ZJWPBLJRRDGIAE-UHFFFAOYSA-N 372.406 2.077 0 40 FEAB O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1CS(=O)(=O)c2ccccc21 172328013 MHJAWARGQQGOBU-IAGOWNOFSA-N 357.431 2.335 0 40 FEAB CSc1ncccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3218217 RPQBLUJZUSDBHI-UHFFFAOYSA-N 360.391 2.005 0 40 FEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 58776577 GKILMCCGQVFEHA-UHFFFAOYSA-N 367.386 2.305 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)n2ccsc2n1 10949035 VUVQPTHYTPRKLS-BMIGLBTASA-N 358.375 2.028 0 40 FEAB Cc1cccc(N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)c1C 8342678 AUEATBIKJISESB-UHFFFAOYSA-N 372.498 2.066 0 40 FEAB COC(=O)c1sccc1NC(=O)CCN1C(=O)COc2ccccc21 12998602 PRNRSVISLKZYJV-UHFFFAOYSA-N 360.391 2.289 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 13056206 IOMDUXRNTWQOQX-KBPBESRZSA-N 367.515 2.162 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)NC[C@H](O)c3ccc(F)c(F)c3)c2n1 63733988 DSAAIRCSDPCTEJ-HNNXBMFYSA-N 360.364 2.396 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022706 FJJYJZVDLMKXIW-HNNXBMFYSA-N 354.458 2.328 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2N2CCOC2=O)C1 65554202 MLWVQKLPPFMGDT-AWEZNQCLSA-N 359.426 2.476 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc(OC(C)=O)cc1 5315361 FIJBHCMQROCMGB-MRXNPFEDSA-N 360.366 2.062 0 40 FEAB CN1C(=O)C2(Cc3ccccc3N3CCCCC[C@H]32)C(=O)N(C)C1=S 6672501 MQXKFUMXXQJCMH-HNNXBMFYSA-N 357.479 2.193 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnnn2C)c1 14516771 UXHUIGULDKTCBE-UHFFFAOYSA-N 360.381 2.019 0 40 FEAB Cn1c(NC2CCCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 7425818 AOQOQJJCYDIIDG-UHFFFAOYSA-N 367.453 2.227 0 40 FEAB O=C(NCCc1cc(F)cc2c1OCOC2)N[C@@H]1c2ccccc2C[C@H]1O 84579420 RBVNRBIENVGCTA-QZTJIDSGSA-N 372.396 2.192 0 40 FEAB O=c1[nH]c(-c2ccnc(-n3cncn3)c2)nc2sc3c(c12)CCSC3 95396813 FMZFOGZDERFFRK-UHFFFAOYSA-N 368.447 2.417 0 40 FEAB CCc1ccccc1CN1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 306127224 FSFKGVWZJDOYEQ-FGZHOGPDSA-N 374.525 2.331 0 40 FEAB C[C@@H](NC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1)c1ccccc1 25077542 FRWMQUFGRLLKJH-CYBMUJFWSA-N 350.426 2.447 0 40 FEAB CCOc1ccc(S(=O)(=O)NC)cc1NC(=O)c1ccccc1F 408556424 IJLZCXXVZMGRKU-UHFFFAOYSA-N 352.387 2.385 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C)cc1C(=O)O 32090613 VXGXUJBQLODWEQ-UHFFFAOYSA-N 362.407 2.196 0 40 FEAB COc1ccc(N[C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c(OC)c1 36635325 ZUKKDCUVRQJNGL-HNNXBMFYSA-N 370.361 2.146 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980385 YFIXVDGEUJCNQS-HNNXBMFYSA-N 368.380 2.093 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)o1 35597409 LIRFDLOPQPRGTM-UHFFFAOYSA-N 362.451 2.283 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1n[nH]c(Cc2ccc(F)cc2)n1 79475261 WIFFOAFUWGLRBB-HNNXBMFYSA-N 365.368 2.348 0 40 FEAB COC(=O)Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1 40159242 MTBRFNAGBFXKAK-AWEZNQCLSA-N 357.406 2.494 0 40 FEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(F)cc1 225876705 DMRISGXZYKUOEB-MRVPVSSYSA-N 357.432 2.453 0 40 FEAB Cc1nnc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)s1 75163714 NIWLJRSJXDLGFH-UHFFFAOYSA-N 355.305 2.093 0 40 FEAB COc1ccccc1OCCNC(=O)c1cccc(CN2CCOCC2)c1 224344864 WVTOFJNHSRMQFA-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 225510326 VZERRLMWFJYVBQ-MRXNPFEDSA-N 352.500 2.099 0 40 FEAB CCc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC 529113948 IDXOJQWRYDPTSC-CABCVRRESA-N 352.456 2.441 0 40 FEAB CCOc1ccc(NC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)cc1 49410880 XUFBXAXLISCKTJ-UHFFFAOYSA-N 356.426 2.189 0 40 FEAB CCN1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O 46141798 WTVWCMXNRQDZIR-OAHLLOKOSA-N 367.453 2.478 0 40 FEAB CCc1ccccc1NC(=S)NCCN1CCN(c2ncccn2)CC1 44241662 ADLDHWMNNYAFAL-UHFFFAOYSA-N 370.526 2.148 0 40 FEAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181670 CUSHWRHSQWHSBQ-DLBZAZTESA-N 362.426 2.444 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 96052514 UOCXDIBGBNYQHC-UHFFFAOYSA-N 354.406 2.447 0 40 FEAB COC[C@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)N1CC1CC1 96207617 FAGBORINZWSRIV-GOSISDBHSA-N 350.503 2.295 0 40 FEAB Cc1nc([C@@H](C)NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cs1 332186090 SQZZWUHLSMQSBS-SECBINFHSA-N 351.457 2.081 0 40 FEAB Cc1cccc2c1ccn2CCNC(=O)Cn1nc2c(cc1=O)CCCC2 96345428 XWBYYXKSSYICGS-UHFFFAOYSA-N 364.449 2.202 0 40 FEAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCCc1ccccc1 96112977 NSCKPFBGSBBZBJ-VQTJNVASSA-N 365.477 2.297 0 40 FEAB biogenic,in-vitro Cc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96240803 IFHYOLVTVQURFB-GOSISDBHSA-N 356.466 2.390 0 40 FEAB O=C(CNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96116837 JXZGPMGVGGYRDT-OAHLLOKOSA-N 367.384 2.021 0 40 FEAB O=c1ccc2c(n1Cc1cccnc1)CCN(Cc1nccs1)CC2 96059353 NTNWOYWUDMPMQA-UHFFFAOYSA-N 352.463 2.349 0 40 FEAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C)no2)C3)c1 247946243 WMTFIVCEEMIBCZ-MRXNPFEDSA-N 357.410 2.277 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1Cl 257247022 IXAWUFRAXBFAPL-QAPCUYQASA-N 363.889 2.460 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 257292306 QKWXFNZXGJCFAV-IBGZPJMESA-N 353.422 2.460 0 40 FEAB CCc1ccc(NC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)cc1F 626457100 DTWSJEXZXCRWCE-GFCCVEGCSA-N 357.451 2.181 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 629108022 OXBMASMIPPTPQR-NWDGAFQWSA-N 354.332 2.367 0 40 FEAB CC(C)(C)N1C[C@H](CNC(=O)c2cc(-c3cccc(O)c3)on2)CC1=O 636227435 UVEZKQHLCUHIJE-LBPRGKRZSA-N 357.410 2.424 0 40 FEAB CCN1CCO[C@@H](CNc2nc3ccccc3n2C)[C@@H]1c1cnn(C)c1 664312800 MUHMMDZVPGJAJV-ROUUACIJSA-N 354.458 2.181 0 40 FEAB COCC(=O)N1CCN(C(=O)[C@H](C)C2CCCC2)CCC12CCOCC2 1775962834 MJPNTMPXZSATHQ-MRXNPFEDSA-N 366.502 2.069 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)/C=C(\C)c1ccccc1 1775957440 URMDMZIMKHQLFZ-TZCWYCDXSA-N 356.426 2.396 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 298657278 CZGYROZEESYBPL-GFCCVEGCSA-N 374.890 2.276 0 40 FEAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425710 HLUJSQBGJSEQRY-HUUCEWRRSA-N 359.513 2.280 0 40 FEAB O=C(N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1)C1(F)CCC1 585102880 GGQXVKKMKBRHCY-OAHLLOKOSA-N 363.433 2.393 0 40 FEAB CO[C@H]1CCCN(C(=O)c2cc(C)nc(O)n2)[C@H]1Cc1ccc(F)cc1 585276607 ODFBKEXLFGWOLY-IRXDYDNUSA-N 359.401 2.492 0 40 FEAB O=S(=O)(NC1CCN(c2ccccn2)CC1)c1c(F)cccc1F 56060247 ZUJZABAXVOUHPZ-UHFFFAOYSA-N 353.394 2.307 0 40 FEAB COC[C@@]1(C(=O)O)CCN(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 635515224 TTYUETKVMLTVOE-XGHQBKJUSA-N 372.465 2.313 0 40 FEAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)NC(N2CCCCC2)=N1 17075554 LJQOCAJSNOGQPX-CYBMUJFWSA-N 368.359 2.374 0 40 FEAB CCCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 17075862 YNHDROALWJQOFV-CQSZACIVSA-N 370.413 2.101 0 40 FEAB O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1c1ccc2c(c1)OCO2 17169583 IEKABPZDHINOKI-GFCCVEGCSA-N 350.334 2.381 0 40 FEAB Cc1cc(C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)C)cc2)on1 19120063 UOSFCGXBUUMXPO-UHFFFAOYSA-N 353.382 2.005 0 40 FEAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19569862 DEKDBCQKAPUFRF-SFHVURJKSA-N 366.465 2.427 0 40 FEAB C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 19598862 CLXLFZCKWSFKMJ-GFCCVEGCSA-N 350.415 2.283 0 40 FEAB CSC1CCN(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 602309231 LEUAXVXINQDDDI-AWEZNQCLSA-N 351.520 2.234 0 40 FEAB O=C1CC[C@@H](N2CCN(c3nccc(Oc4ccccc4)n3)CC2)CCN1 516245003 VVQVBQQYHJDFRN-MRXNPFEDSA-N 367.453 2.060 0 40 FEAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CCCn3cccn3)[C@H]2O)cc1 643913070 SIAAJTWSJGUARL-YVWKXTFCSA-N 357.454 2.306 0 40 FEAB CCn1nnc2c(N3CCN(C(=O)CCC4CCCCC4)CC3)ncnc21 13533002 YGLMIVISXRQXSG-UHFFFAOYSA-N 371.489 2.250 0 40 FEAB CC(C)N(C)c1cccc(NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)c1 668522437 WHHVRHYSVZCPFH-GFCCVEGCSA-N 353.430 2.453 0 40 FEAB CC(C)(C)C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134292 VXNJOQSWWUGUJU-UHFFFAOYSA-N 362.865 2.006 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)NCc1ccccc1Cl 5279119 CNGNARYNWOVLFB-UHFFFAOYSA-N 362.813 2.217 0 40 FEAB COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(C)n3)CC2)c1 29984356 GXODTJYJOCYTOX-UHFFFAOYSA-N 355.438 2.365 0 40 FEAB CC(C)CN1C[C@@]2(COCCN(c3ncc4sccc4n3)C2)CC1=O 1565542195 HOPSVBHHYSCGFU-GOSISDBHSA-N 360.483 2.403 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)no1 4376992 QQVNLIYFRFXIGS-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)no1 15882711 LHFDLOAOKRJMJA-UHFFFAOYSA-N 370.460 2.485 0 40 FEAB O=C(C1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382418 CVSUSOFRKSXEAN-DLBZAZTESA-N 370.449 2.380 0 40 FEAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)Cc1ccco1 206619721 XMKANQVPMQHSJJ-AWEZNQCLSA-N 374.256 2.314 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OCC)c1 7553130 AEFKGUCWMJWLPT-OAHLLOKOSA-N 350.440 2.450 0 40 FEAB Cc1nc(N)nc(C)c1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 19665542 SMYTWHSHOUSEHE-NSHDSACASA-N 356.426 2.257 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40159606 QCTRWQKGJFLYJD-OAHLLOKOSA-N 370.371 2.098 0 40 FEAB O=C(CCc1ccccc1)N[C@@H](C(=O)N1CCOCC1)c1ccccc1 40146425 REMQHIRHYWFRLI-HXUWFJFHSA-N 352.434 2.336 0 40 FEAB Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccn(C)c(=O)c3)cc2)n1 40107526 PVMJZUZLUZWDOZ-UHFFFAOYSA-N 350.422 2.160 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3cccnc3-n3cncn3)CC2)c1C 30779792 MZELNYIHJHTGJB-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)n1 7654314 XJXAQEZEYAULTN-NSHDSACASA-N 366.487 2.362 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2=O)cc1 101507986 HNNDYARFOQKDEP-WMZOPIPTSA-N 364.357 2.213 0 40 FEAB Cn1c(CCNC(=O)N2CCCCC2)nnc1SCc1cccnc1 4932631 UJZOAZGFOHPIJK-UHFFFAOYSA-N 360.487 2.240 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21 4971464 CEHSNIOOWQCPFO-UHFFFAOYSA-N 356.447 2.464 0 40 FEAB O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NC2CC2)s1 6338892 FSLWETAVINSWTA-UHFFFAOYSA-N 362.480 2.480 0 40 FEAB O=C(NC[C@H]1COc2ccccc2C1)c1ccc(N2C(=O)CCC2=O)cc1 32744638 KTBNOPQBDMAFAG-AWEZNQCLSA-N 364.401 2.321 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 32788563 SKIQUANVEYHTSD-UHFFFAOYSA-N 373.887 2.185 0 40 FEAB CC[C@@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@@H]31)[C@@H]25 104059174 SLUFFIKFMLYKDM-DKLKXPQYSA-N 352.434 2.024 0 40 FEAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 32913895 HTEWOFUZLBUCNY-RHSMWYFYSA-N 365.437 2.034 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1cccc(Br)c1 33042003 VDANGQMSWDSQTN-JQWIXIFHSA-N 354.248 2.417 0 40 FEAB CCn1c(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc21 52842052 QEZILQDCCAPZMD-RDTXWAMCSA-N 358.467 2.126 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NCc1ccc(F)cc1 23053538 VAJOMJXEBMHWOD-ZDUSSCGKSA-N 368.368 2.268 0 40 FEAB Cn1c(CN2CCc3sccc3[C@H]2c2cccs2)cc(=O)n(C)c1=O 22385928 MOKQSXFPGVAMIL-KRWDZBQOSA-N 373.503 2.355 0 40 FEAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cc2cccc3ccccc23)CC1 22476749 GIBIBYVKKOIUSV-HNNXBMFYSA-N 368.433 2.005 0 40 FEAB CC1(C)[C@@H](C(=O)O)CC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)O)cc1 12346110 ONQUDWNJNBNMFH-MLGOLLRUSA-N 355.412 2.399 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)/N=c3/sc4ccccc4n3C)cnc12 104923371 JWYAJDPVEBSNFZ-XUTLUUPISA-N 364.430 2.386 0 40 FEAB COc1cc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccn1 24439030 QPSXEQFJUGNLNR-UHFFFAOYSA-N 374.462 2.493 0 40 FEAB C[C@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1 24680136 SPDMKEZFUNPPAA-GXTWGEPZSA-N 370.540 2.417 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cn1 12543246 JOMYKEHLIYZXDM-UHFFFAOYSA-N 364.199 2.221 0 40 FEAB COc1ccc(C(=O)N2CCN(CCc3ccncc3)CC2)cc1OC 25279504 DAEKWEJZABBNJT-UHFFFAOYSA-N 355.438 2.099 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12531951 NZFAWJXRURQXJX-AWEZNQCLSA-N 364.402 2.232 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)cc1 52987002 WWQPPIDTCSLOJM-KRWDZBQOSA-N 365.393 2.005 0 40 FEAB CCNC(=O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1 12557163 GFACSFBKGVREMX-UHFFFAOYSA-N 368.436 2.085 0 40 FEAB Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108532895 KOIJNFMFVKKXBL-INIZCTEOSA-N 367.453 2.446 0 40 FEAB COc1ccc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 26105775 QZVCQBUGIYRYRZ-KPKJPENVSA-N 374.462 2.112 0 40 FEAB Fc1ccc(-c2nnn(CN3CCN(c4ccccc4F)CC3)n2)cc1 58161848 BRZDTMYXWGHGNR-UHFFFAOYSA-N 356.380 2.398 0 40 FEAB COC(=O)c1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 27556237 MNHHFMSNLSMCTQ-GFCCVEGCSA-N 360.435 2.072 0 40 FEAB O=C(NCc1cc[nH]n1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 58267704 XVELKWNIPHVZKF-UHFFFAOYSA-N 368.368 2.383 0 40 FEAB CCCNc1nnc(S(=O)(=O)[C@H](C)C(=O)NC2CCCCCC2)s1 48365652 RKYCDAXHKJGCNI-LLVKDONJSA-N 374.532 2.361 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408686406 SKBPTQWCSDEFKK-LYHUEXMXSA-N 368.433 2.131 0 40 FEAB CN1C(=O)c2ccc(NC(=O)C[C@@](C)(C(=O)O)c3ccccc3)cc2C1=O 13252391 ZHSKUBYYBCZGCY-HXUWFJFHSA-N 366.373 2.284 0 40 FEAB C[C@@]1(O)CC(C(F)(F)OC(F)(F)F)=NN1S(=O)(=O)c1ccccc1 4124726 YRIAXWPQQAOECK-SNVBAGLBSA-N 374.287 2.275 0 40 FEAB COc1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 13714543 MIVJUPXGDJKKFJ-UHFFFAOYSA-N 354.406 2.349 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccc2cccnc12 65563882 YURRITXIFAIHIO-AWEZNQCLSA-N 362.455 2.170 0 40 FEAB CCN(CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 5372420 WETQMQHLUVWWKI-GJZGRUSLSA-N 353.513 2.495 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(F)cc1 14136354 VGVBVPXEFMXDDX-IBGZPJMESA-N 353.353 2.373 0 40 FEAB Cc1[nH]c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2c1C 6754920 ZOEPQQZTYBHYQX-UHFFFAOYSA-N 371.462 2.405 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 8734071 OZPVAAPXLRQGMK-CYBMUJFWSA-N 372.252 2.373 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n2n1 8704153 ADIMAVYYPXWFSS-WCQYABFASA-N 371.466 2.362 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2OC)ccc1O 7565089 HUFCZGZPODHZPL-CSKARUKUSA-N 371.389 2.282 0 40 FEAB CNC(=O)NC(=O)[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 25664962 RQJHGDPCEYVJRH-FZKQIMNGSA-N 369.421 2.305 0 40 FEAB Cn1c(=O)/c(=C\c2csc(-c3ccco3)n2)s/c1=C/C(=O)C(C)(C)C 96310931 QRQCCUNPTCRUMO-TVXJZBATSA-N 374.487 2.388 0 40 FEAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc3c(c2)OCO3)c(OC)c1 95464085 RSGDPCJBJGAWQP-CQSZACIVSA-N 373.361 2.378 0 40 FEAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCO)CC3)cc12 98072688 PZUHSRULWUZFBN-UHFFFAOYSA-N 370.478 2.146 0 40 FEAB CCCCN1CC[C@@]2(COCc3cnc(NCc4cncn4C)nc32)C1 306142465 WZUIZMFTKIKYIL-IBGZPJMESA-N 356.474 2.096 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306124366 BNPLARKLEQLRQW-KGLIPLIRSA-N 371.872 2.128 0 40 FEAB CC(C)N(C)CC1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 525893584 GUZWFWLAIRXFJL-UHFFFAOYSA-N 360.502 2.111 0 40 FEAB COc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1538436735 DFYKPNMDKPFWRY-HUUCEWRRSA-N 350.415 2.059 0 40 FEAB CCOC(=O)n1nc(-c2ccoc2C)nc1S[C@H]1CCS(=O)(=O)C1 217358138 CJPHUEZIYYOQDZ-JTQLQIEISA-N 371.440 2.130 0 40 FEAB C[C@H](NC(=O)c1ccn(COc2ccc(F)cc2)n1)C(=O)N1CCCCC1 72250017 RICHNDMSYLWBTH-AWEZNQCLSA-N 374.416 2.190 0 40 FEAB Cc1ccc(Cn2cnc(NC(=O)c3cc(C)nc4c3cnn4C)n2)cc1 36616496 BAYLLYWXSJBLRE-UHFFFAOYSA-N 361.409 2.477 0 40 FEAB CCn1ncc(Br)c1C(=O)N[C@H]1CCCc2c1cnn2C 71195568 LNZLAPNARHSUHE-NSHDSACASA-N 352.236 2.206 0 40 FEAB CC[C@@H](C)C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980664 WBFQITNXZKBFHC-WBVHZDCISA-N 360.454 2.337 0 40 FEAB Cc1ccc(NC(=O)c2cnn3ccccc23)cc1C(=O)N1CCOCC1 570448131 REGGSSPLYMPCJX-UHFFFAOYSA-N 364.405 2.367 0 40 FEAB Cc1ccc(CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 225189065 BPBRFNAZCCRILP-BRWVUGGUSA-N 350.484 2.061 0 40 FEAB CN1CCCN(Cc2nc(CC3CC3)nn2-c2ccccc2C(=O)O)CC1 96133473 IHPPJHYRARYNEY-UHFFFAOYSA-N 369.469 2.056 0 40 FEAB Cc1cnn(CC(=O)N2CCC3(CC2)C[C@H](N(C)c2ccccc2)CO3)c1 257224936 FEANEABQYGQFBO-IBGZPJMESA-N 368.481 2.478 0 40 FEAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 604382144 HLJKCLMZEHNAQC-UAFMIMERSA-N 355.482 2.290 0 40 FEAB biogenic,in-vitro Cc1nc(C[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc(C(N)=O)n1 257333210 YAQLRLVIOXYOLE-OAHLLOKOSA-N 370.428 2.047 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)CCC(=O)O)CCO2)n1 257313292 URSALVZIULLNAM-HNNXBMFYSA-N 359.382 2.118 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1 257321808 WDIGICYPRVYRQC-SAABIXHNSA-N 372.513 2.376 0 40 FEAB Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)s1 257256157 KKHLDTLTFHHJKP-QLFBSQMISA-N 357.483 2.442 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCc3ccccc3NC2=O)c1 1628117338 YPLQTBZHJMTGJQ-MRXNPFEDSA-N 365.389 2.200 0 40 FEAB O=C(Nc1ccccc1Cl)N[C@H]1CCN(c2ccc3nncn3n2)C1 390830058 ILSNILKOQBOUNH-NSHDSACASA-N 357.805 2.178 0 40 FEAB O=S(=O)(N1CC2(C[C@@H](OCc3ccncc3)CS2)C1)C(F)(F)F 575402953 GBSLVHADSWOYKD-LLVKDONJSA-N 368.402 2.008 0 40 FEAB O=C(NC1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1)c1ccnnc1 585104805 UJQBPVJTEWPVNA-UHFFFAOYSA-N 368.412 2.431 0 40 FEAB O=C(c1cnc(C2CC2)nc1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585275469 BHYURZBBDBMDBP-LJQANCHMSA-N 357.385 2.149 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)COc3cccnc3)C2)c1 585272605 ODHAJTWNBQUIEY-FQEVSTJZSA-N 356.422 2.201 0 40 FEAB Cc1noc(CCCC(=O)Nc2cccc(CN3CCN(C)CC3)c2)n1 57055740 DVAAWJSMRJYPQR-UHFFFAOYSA-N 357.458 2.087 0 40 FEAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1F 56059040 HIKAQDNYIZLIIU-UHFFFAOYSA-N 370.837 2.216 0 40 FEAB CCOC(=O)C1=C(CSc2nncc3ccccc23)NC(=O)N[C@H]1C 58344349 FWLJIDKSIJKAKP-JTQLQIEISA-N 358.423 2.240 0 40 FEAB CN(C)c1nccc2c1CN(S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)CC2 1672205743 SCLXDIKEMISEFN-CYBMUJFWSA-N 359.442 2.127 0 40 FEAB Cc1cccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)n1 12117867 QKPREOQPHYETJX-UHFFFAOYSA-N 353.470 2.268 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccncc3)n[nH]2)c(C)n1 12144684 FHRPYDGBIJLHIP-HNNXBMFYSA-N 351.414 2.369 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)c(C)o1 12146800 BRRJUMXEISGTRD-UHFFFAOYSA-N 358.442 2.399 0 40 FEAB O=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1 12363926 VYONHMFJFFYDLC-UHFFFAOYSA-N 357.502 2.348 0 40 FEAB NC(=O)c1nc(C(F)(F)F)c(Br)c(O)c1Br 15085343 IRLQZHJSJAYVRH-UHFFFAOYSA-N 363.915 2.430 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc21 15563724 QWMGYKASXNCKKE-CQSZACIVSA-N 365.433 2.461 0 40 FEAB CCn1c(=O)n(CC)c2cc(C3=Nc4ccccc4S(=O)(=O)N3)ccc21 19524238 OALLBQJTNXXHJC-UHFFFAOYSA-N 370.434 2.213 0 40 FEAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ccnc3ncnn23)c1 19564310 WGAQOYPUROWRPM-INIZCTEOSA-N 351.410 2.429 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1C 19571337 ZXUUIQMTLKCILW-QGZVFWFLSA-N 367.449 2.106 0 40 FEAB CC1CCN([C@@H](CNS(=O)(=O)c2cnn(C)c2)c2ccccc2)CC1 19662823 FMFWGJRKDZZWNQ-SFHVURJKSA-N 362.499 2.172 0 40 FEAB Cc1ncsc1C(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1 19709883 UKMYFODLBONFMQ-AWEZNQCLSA-N 374.514 2.394 0 40 FEAB Nc1n[nH]c(C2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 647733094 LUYXTBKTNMYWDB-UHFFFAOYSA-N 370.240 2.479 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 2644122 ANQBKWAFNVCJAA-AWEZNQCLSA-N 354.406 2.283 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1=O 2037985642 QWSBVYDQKWWKSS-FQEVSTJZSA-N 359.470 2.033 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2nccs2)C(=O)C1 1565523055 FOPIKSHVKUYGJH-UHFFFAOYSA-N 373.463 2.188 0 40 FEAB Cc1nc(C(=O)N2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)cs1 1565554119 KMOJCVWVILUBNO-GOSISDBHSA-N 374.466 2.321 0 40 FEAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3ccco3)ccc2c1=O 2969758 WKQOVEZZCQWBHG-UHFFFAOYSA-N 359.407 2.228 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)no1 4377053 LSZOYPUTVFEDCF-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940751 MRBNXYLHYAYRNS-LLVKDONJSA-N 372.402 2.061 0 40 FEAB O=c1c(=O)n2c(nn1Cc1c(F)cccc1Cl)N(c1ccccc1)CC2 8848816 YFOJAKXDVZUWPL-UHFFFAOYSA-N 372.787 2.398 0 40 FEAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccco2)o1 10620764 SOIONHLALMVMHD-UHFFFAOYSA-N 361.379 2.273 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2c(C)noc2C)CC1 2055732353 CSMLMODZLUBEMZ-UHFFFAOYSA-N 374.416 2.263 0 40 FEAB Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1cccc(Cl)n1)CC2 2055718426 ZRAJKPCZHQJCJQ-UHFFFAOYSA-N 359.861 2.263 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 3671880 BIVUOICGADPWOS-UHFFFAOYSA-N 358.463 2.112 0 40 FEAB CC(C)CNC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 40071655 CTXFMJLURGMFOB-UHFFFAOYSA-N 357.498 2.056 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccc2c(c1)OCCCO2 40153880 GMZRNLPROQHZHR-QWHCGFSZSA-N 358.394 2.437 0 40 FEAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1cccnc1-n1cncn1 40108980 FNQSISYJXXVWAM-UHFFFAOYSA-N 373.420 2.097 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCc3ccccc31)O2 30946989 GJAUVBJMAMTBCD-GOSISDBHSA-N 372.446 2.111 0 40 FEAB C[C@@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N(C)C 11484647 VVVKLVVSNHVASQ-CYBMUJFWSA-N 363.487 2.479 0 40 FEAB CC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 45816101 YCPJMXOJDIXUTE-UHFFFAOYSA-N 366.361 2.227 0 40 FEAB Cc1ccc(SCCNC(=O)CN(C)c2ncnc3[nH]cnc23)cc1 45979138 XPSRYKALEOZZNY-UHFFFAOYSA-N 356.455 2.006 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC[C@@H]2C)c1C 3365452 WGBAFGCDYVNZPH-NSHDSACASA-N 350.415 2.366 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(F)c1 3594583 INSDLMRAOQWUKL-IBGZPJMESA-N 353.353 2.158 0 40 FEAB COc1ccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(Cl)ccc23)cc1 20734123 ZNIPILVIDLZHQK-UHFFFAOYSA-N 369.768 2.485 0 40 FEAB COC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc(C)c1C 2642991 JXIAWFMYTHFSJX-UHFFFAOYSA-N 358.470 2.316 0 40 FEAB COc1cc(SC)ccc1C(=O)OCn1nnc2ccccc2c1=O 2657419 SXXOWCCLCDWVHN-UHFFFAOYSA-N 357.391 2.337 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2ccco2)c1 32796123 QPPFZLPBRCGCQX-UHFFFAOYSA-N 350.440 2.215 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1 32817000 MLNLUIJVPASQHY-HNNXBMFYSA-N 352.390 2.127 0 40 FEAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2ccccc2F)C1=O 101718853 QWRLWDSVMMDMSZ-LBPRGKRZSA-N 365.368 2.344 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 25179259 SWHGEJNTSKQWKG-MRXNPFEDSA-N 360.435 2.238 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)o1 22123210 YHQBAZNGEKPLBD-UHFFFAOYSA-N 371.798 2.440 0 40 FEAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1 622363 XMZWQIIKAZJHCB-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 22382889 XZZVEIUECPBCPH-MRVPVSSYSA-N 374.340 2.206 0 40 FEAB CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2ccccn2)C1 12314445 KQVRANNAFJLGSE-INIZCTEOSA-N 367.453 2.152 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)nc3)CC2)cc1 22416344 OYIRJBPGOWYDCQ-UHFFFAOYSA-N 373.478 2.282 0 40 FEAB O=C(NCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(O)cc1 53742496 SPUVUZPAKVSFOE-UHFFFAOYSA-N 368.368 2.081 0 40 FEAB CC(=O)Nc1cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)ccc1F 24459224 KPJIODLWJITRGU-CYBMUJFWSA-N 357.389 2.429 0 40 FEAB Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102075904 AVCUPLNPQLZSGA-AUTURXRWSA-N 351.402 2.262 0 40 FEAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 12547966 RYQCRAUCKPVKLU-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102088242 XGUCGICGJHWRSH-LBTBCDHLSA-N 352.390 2.025 0 40 FEAB O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCO2 25412126 CJYVLLWLYCSRRS-UHFFFAOYSA-N 371.412 2.311 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(F)c1 3288205 WROXFPULHUHXJY-INIZCTEOSA-N 362.357 2.355 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCCc1ccc(F)cc1 8077607 XZIROMRCLCYSFO-UHFFFAOYSA-N 359.332 2.140 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1nnc2ccccn12 58014281 LJESSFLYLYDTQV-GFCCVEGCSA-N 352.394 2.360 0 40 FEAB Cc1nc(C(=O)N[C@H](C(N)=O)c2ccccc2)nn1-c1ccc(Cl)cc1 10268625 JCQVKWVYNTUEFA-HNNXBMFYSA-N 369.812 2.186 0 40 FEAB CN(C)C[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cnn(C)c2)n1 58232061 ZBQAOGVAWLOUAA-INIZCTEOSA-N 369.494 2.446 0 40 FEAB Cc1c(CCC(=O)N2CCCC[C@@H]2C(=O)O)c(=O)oc2cc(O)ccc12 2107060 HFAPOHYQUXSMQS-OAHLLOKOSA-N 359.378 2.205 0 40 FEAB biogenic Cc1ccccc1CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 27946187 XCAFSBFNJDFHQY-UHFFFAOYSA-N 361.467 2.380 0 40 FEAB CN1N=C(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCC1=O 10579390 YTMFGWZKDADQIO-UHFFFAOYSA-N 357.439 2.443 0 40 FEAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 10833743 FNURKUIXFHQHAH-MRXNPFEDSA-N 362.451 2.216 0 40 FEAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc2c(c1)C(=O)NC2 58749289 DDWWNQSUQSNQDE-UHFFFAOYSA-N 369.446 2.295 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCCN1CCC[C@@H](C)C1 58955133 DZYROQIXKVBPSE-OAHLLOKOSA-N 352.500 2.332 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cn(C(F)F)nc2C)n1 36614906 UBVALQUYFQXACP-SECBINFHSA-N 361.418 2.015 0 40 FEAB Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)ccc1F 12919992 AQXSGVSIWQAEPE-GFCCVEGCSA-N 368.405 2.256 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccccc1 3594991 KNQVOYSNLCDMMA-OAQYLSRUSA-N 363.417 2.433 0 40 FEAB Cn1cccc1C(=O)NC(=O)COC(=O)/C=C/c1nc2ccccc2s1 6165703 BXCSPPKXLUWILS-CMDGGOBGSA-N 369.402 2.148 0 40 FEAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 5185537 CJIJKBNADLFURJ-AWEZNQCLSA-N 367.398 2.013 0 40 FEAB CC(=O)c1cccc(NC(=O)CCCn2nnc3ccccc3c2=O)c1 5246208 WULYGTOGUMXDHG-UHFFFAOYSA-N 350.378 2.413 0 40 FEAB CCOC(=O)C1CCN(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 6463397 CFKLRPCYRYWFLT-UHFFFAOYSA-N 372.421 2.315 0 40 FEAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 4510399 VAXBDJVKUZLCGP-LBPRGKRZSA-N 360.439 2.375 0 40 FEAB CCOc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O 66290932 TWJPATRPISRPMS-CYBMUJFWSA-N 360.863 2.491 0 40 FEAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24051227 XKPGIRMZQOAFOR-UHFFFAOYSA-N 353.465 2.219 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NC1CC1 7127160 GVVQOSDNBLEUKH-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB C[C@@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1S(C)(=O)=O 8718983 KCAVJWSBJRUYNN-LLVKDONJSA-N 374.418 2.378 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(S(N)(=O)=O)c1 7494423 IVBXDXSUOFFMEJ-UHFFFAOYSA-N 359.451 2.034 0 40 FEAB COC1CCC(N(C)C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 78115239 FHHRKLDVRCCTHC-KLAILNCOSA-N 353.507 2.480 0 40 FEAB Cc1c(CC(=O)Nn2cnnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9305136 QSQXNJWGMXXKAN-UHFFFAOYSA-N 368.393 2.109 0 40 FEAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610371 TWXYLOLRFBUGNO-KBPBESRZSA-N 356.488 2.365 0 40 FEAB Cc1cc(N)nc(SCC(=O)NCCN2CCCc3ccccc32)n1 84114642 VLJFSYWAKJVYPI-UHFFFAOYSA-N 357.483 2.028 0 40 FEAB c1ccc(-n2nnnc2CSc2nnnn2Cc2cccs2)cc1 9534952 BMOFMGDVRWIJGR-UHFFFAOYSA-N 356.440 2.051 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)cc1 9668518 CWOZOZFKRWOHFY-ZFWWWQNUSA-N 362.426 2.075 0 40 FEAB Cc1cc(C)c(CNC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(=O)[nH]1 95377609 JWMLAWJSGYLZDI-UHFFFAOYSA-N 355.438 2.450 0 40 FEAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCc2[nH]ncc2C1 95441201 URJSTNPXBPRONW-QZTJIDSGSA-N 352.482 2.195 0 40 FEAB Cc1oc(CN(C)C(=O)CNC(=O)CCC2CCCC2)cc1C(=O)O 95425072 KJTYDNJJSUXIRS-UHFFFAOYSA-N 350.415 2.331 0 40 FEAB COc1ccc(OCC(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)cc1 98211986 CZYYEEVDSUWQIV-HNNXBMFYSA-N 359.426 2.070 0 40 FEAB O=C(CC1CCCC1)NC1CCN(CCn2c(=O)oc3cccnc32)CC1 89427790 BGHFFIRAGFHZOE-UHFFFAOYSA-N 372.469 2.150 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4194798 PVMUOTUDLIZEAN-XGYYKPKNSA-N 364.394 2.240 0 40 FEAB CC(C)(C)c1nnc2ccc(NCc3cnn(CC(F)(F)F)c3)nn12 548491113 OPRXGIJKQHCROI-UHFFFAOYSA-N 353.352 2.793 0 40 FEAB Cc1cccc([C@@H](NS(=O)(=O)c2c(C)nn(C(C)C)c2C)C(=O)O)c1 548531442 XKIXRFWSTBBYNU-OAHLLOKOSA-N 365.455 2.493 0 40 FEAB CCOc1cccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1O 409097600 MOZJBTVRGIJAIG-KWINOFQJSA-N 351.380 2.389 0 40 FEAB CSCC[C@@H]1NC(=S)N(Cc2ccnc(N3CCCC3)c2)C1=O 32778517 WIXZYLFXIMXUIQ-ZDUSSCGKSA-N 350.513 2.020 0 40 FEAB COc1cccc(-c2noc(-c3ccc(N4CCNCC4)nc3)n2)c1OC 72121740 SJJNXFMCGCEEOB-UHFFFAOYSA-N 367.409 2.225 0 40 FEAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 218316880 CKMPGDVUBWNHCB-LSDHHAIUSA-N 368.451 2.008 0 40 FEAB NC(=O)c1nnn(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 70999072 IGQRXRJSGOWTJA-UHFFFAOYSA-N 358.361 2.167 0 40 FEAB CNC(=O)c1ccc(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 40018018 UTKAMNLPQUHDLU-UHFFFAOYSA-N 365.433 2.480 0 40 FEAB COc1cc(OC)cc([C@@H](C(=O)O)N2CCC[C@@H](c3nc(C)no3)C2)c1 567596102 XMRZKJOQLQSEOA-WBMJQRKESA-N 361.398 2.401 0 40 FEAB COc1ccc(-c2cnn(CCCC(=O)NCc3ccn(C)n3)c2)cc1 227166234 ZUCFAWSAGACAPC-UHFFFAOYSA-N 353.426 2.389 0 40 FEAB O=C(Nc1ccccc1)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 85436066 BQJBSSQDNYJLSI-QGZVFWFLSA-N 351.410 2.236 0 40 FEAB biogenic,in-vitro COc1ccc(OCCN(C)S(=O)(=O)c2ccc3c(c2)CCO3)cc1 45360874 HXKIXPOLNZQBAK-UHFFFAOYSA-N 363.435 2.330 0 40 FEAB CN(C(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 226040207 DOLIPIINGDNNRB-UHFFFAOYSA-N 364.442 2.293 0 40 FEAB CN(C[C@H]1CCCN(Cc2cc(C(=O)O)ccc2Cl)C1)S(C)(=O)=O 572304489 ROIMYQLPYFYAFX-GFCCVEGCSA-N 374.890 2.142 0 40 FEAB Cc1ccc(-n2cnc3nc(N4CCOCC4)nc(O)c3c2=S)cc1 40385678 VRVRDVPBZHPUOZ-UHFFFAOYSA-N 355.423 2.396 0 40 FEAB COc1cccc(-c2noc(CNC(=O)c3ccc4c(c3)OCCO4)n2)c1 225405209 NUVMHPKNNLJVIY-UHFFFAOYSA-N 367.361 2.446 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1 332680231 RGAIFDCNIOFNCZ-UHFFFAOYSA-N 362.455 2.618 0 40 FEAB Cc1cccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)n1 96057991 MGRKHJZSCDREPW-IPMKNSEASA-N 353.422 2.374 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 96048389 CQTTWRJIQFGBQA-HNAYVOBHSA-N 353.426 2.056 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccccc1F)C2 96237746 RFYPTMYWXCMTGQ-NRFANRHFSA-N 367.424 2.389 0 40 FEAB Cc1[nH]nc(C(C)C)c1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 583618968 NQPHEQIERXBPET-ZDUSSCGKSA-N 358.446 2.231 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 93010542 UXMDFBODWGVOER-GOEBONIOSA-N 354.454 2.208 0 40 FEAB C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 245237689 RAHDGKQQMFVOKU-OKGBLQAJSA-N 361.530 2.260 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n1 257219552 DHFSPMDIPGCNSB-CYBMUJFWSA-N 351.765 2.497 0 40 FEAB CNc1cc(C)nc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)c1 257327165 XAGRMJDYPOFELX-QGZVFWFLSA-N 353.488 2.468 0 40 FEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccccc3C(=O)O)nc(C)n2)C1 257280079 OJIZZFJVRUMSDA-CYBMUJFWSA-N 355.394 2.113 0 40 FEAB Cc1ccc(N(C)[C@@H]2COC3(CCN(C(=O)Cn4ccnc4)CC3)C2)cc1 257286555 PLZUZYTWIXGKTK-IBGZPJMESA-N 368.481 2.478 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)nc(N)n1 257319089 VQRXUTFFVMUMQO-MJEQTWJJSA-N 356.401 2.436 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N[C@H]2CCCN(C)C2)c1 257267710 MIMJFRYHVYTOHL-SFHVURJKSA-N 366.465 2.209 0 40 FEAB O=C(c1c(C(F)F)nc2cnccn12)N(C[C@@H]1CCCO1)c1ccnnc1 1119496158 FROOINTWJVJDHW-LBPRGKRZSA-N 374.351 2.283 0 40 FEAB COC1(CNC(=O)C(=O)NCc2ccc(F)cc2)C2CC3CC(C2)CC1C3 96123915 WIZLIOUFBSJQIL-UHFFFAOYSA-N 374.456 2.399 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)c1C 585275622 HLXQHFRDXYILMU-HXUWFJFHSA-N 357.454 2.255 0 40 FEAB CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585290746 WOZZZKBXYYIIJN-IPLHWJFFSA-N 365.499 2.341 0 40 FEAB COc1cccc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 57450635 FTMMPJNUULPYRI-UHFFFAOYSA-N 351.450 2.407 0 40 FEAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)n1cnc2ccccc2c1=O 5246918 UWEUCTGJKWKYDG-INIZCTEOSA-N 350.378 2.085 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc2c(c1)OCO2 14048835 RIKATHHPEDKEIS-UHFFFAOYSA-N 362.332 2.130 0 40 FEAB O=C1NCC2(CCC(C(=O)NC[C@@H]3CCCO3)CC2)Oc2ccccc21 19374735 LPGJIQJUQSFMFC-CHWWFWEZSA-N 358.438 2.033 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)Cc3ccccn3)ccc21 19499166 MDRGJLINLHVCCH-CQSZACIVSA-N 373.478 2.290 0 40 FEAB CCCc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 19525775 UINHDFBJRXEJBJ-PCCBWWKXSA-N 366.509 2.291 0 40 FEAB COc1ccc2cc(CN(CCO)C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)c(=O)[nH]c2c1 19563897 NKKRZHVSAFRWHZ-QWQRMKEZSA-N 368.433 2.070 0 40 FEAB CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)ncc2C1 19590357 WOZWSYHOAWWLSB-GOSISDBHSA-N 372.494 2.380 0 40 FEAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930034 QSCUEZJCLZXEIP-NSHDSACASA-N 362.879 2.274 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnnn2C(C)C)cs1 513074289 HOBUTDFWEOROER-ZFWWWQNUSA-N 367.498 2.063 0 40 FEAB Cc1ncc(C(=O)O)cc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 630106374 JDCLBNYNAOPGLS-UHFFFAOYSA-N 367.405 2.141 0 40 FEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 16552862 YOKFAKXACRIIJW-SNVBAGLBSA-N 351.432 2.455 0 40 FEAB Cc1nsc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n1 1888888111 MPXIYXBUQYICST-UHFFFAOYSA-N 354.439 2.336 0 40 FEAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)Cc2ccccn2)CC1 2055772088 VPXHHHLHJFYFTG-UHFFFAOYSA-N 366.465 2.186 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cc(C)on2)C1 2055751200 UONZFJQGIYNEKN-FQEVSTJZSA-N 372.469 2.192 0 40 FEAB CN(C)C(=O)CO[C@@H]1COC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055837473 HWSIWVRFIPYIAR-ULQDDVLXSA-N 366.502 2.068 0 40 FEAB Cc1cc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)sn1 575610147 TYQCARMIKFNCJQ-UHFFFAOYSA-N 369.454 2.119 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccccc3CN(C)C(C)=O)nc2s1 40083296 PXUMFXLKUQSJCN-UHFFFAOYSA-N 371.466 2.304 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 50176678 XIGFCWFTVBNGSC-UHFFFAOYSA-N 371.418 2.130 0 40 FEAB O[C@H](CN1CCOCC1)CN1CCC[C@H]1c1cccc(Br)c1 40153476 IBWHHZNUAPBVIN-SJORKVTESA-N 369.303 2.279 0 40 FEAB CNC(=O)c1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 7312688 YRRBDOBQUMSOLL-UHFFFAOYSA-N 355.419 2.124 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 341333 LWHVMAIVVWZGEP-UHFFFAOYSA-N 350.352 2.364 0 40 FEAB CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20678043 WEJQTIOSLZXODD-AWEZNQCLSA-N 352.232 2.304 0 40 FEAB COC(=O)C1CCN(C(=O)c2ccccc2I)CC1 2739547 YBWRKCRSOIUDFF-UHFFFAOYSA-N 373.190 2.316 0 40 FEAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 101385259 SUXPSJLNGRLVJE-UXHICEINSA-N 354.498 2.479 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 2655259 HLGZDKLPKWNWSD-UHFFFAOYSA-N 353.421 2.094 0 40 FEAB O=C(c1cscn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108532521 XSIJDOOARLMYJL-CYBMUJFWSA-N 359.455 2.199 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2ccc3ccccc3n2)C1=O 18186512 UNHQKSJNLMZTNT-QGZVFWFLSA-N 358.423 2.079 0 40 FEAB CCN1CCc2nc(NC(=O)CCn3c(=O)oc4ccccc43)sc2C1 21295668 MELOYVWXJVRFNW-UHFFFAOYSA-N 372.450 2.458 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC2CC2)nnc1-c1cccs1 21462635 MHKZQKBWUHFSNX-UHFFFAOYSA-N 351.457 2.107 0 40 FEAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COCc1ccc(Cl)cc1 69951131 WSKBQDGUMLNPCF-WMLDXEAASA-N 369.870 2.100 0 40 FEAB CC(C)(C)OC(=O)NCCC(=O)N1CCC(c2nnc3ccccn23)CC1 28736859 PCVRLYIIPDYXSO-UHFFFAOYSA-N 373.457 2.350 0 40 FEAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F 57505077 IOSFWDIRPKNICP-JTQLQIEISA-N 351.353 2.007 0 40 FEAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]2C=C[C@H]1CC2 102662390 AZILDUUYUIDGLK-DFEHZGFQSA-N 358.413 2.387 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCc1ccc2ccccc2c1 103064003 YERNBHHNAYYKPD-ZULIPRJHSA-N 360.413 2.263 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1COc2ccccc2C1 12165427 PRLCLAKPAKLIBF-AWEZNQCLSA-N 372.446 2.317 0 40 FEAB COc1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1OC 715031 RUGACKGCZIFUDZ-LFIBNONCSA-N 365.414 2.383 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc3c(n2)C[C@@H](C)CC3=O)cc1 20633948 CIINUWVGALOTOR-SNVBAGLBSA-N 374.422 2.001 0 40 FEAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccccc1F 12375341 YFWIHSMLTGVVSF-HNNXBMFYSA-N 373.306 2.309 0 40 FEAB CC(C)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C(C)(C)C)cc1 23200320 DCUJYXVYTMZPHW-SFHVURJKSA-N 357.454 2.348 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2ccccn2)CC1 23732232 RHNMBMSFKYXZJE-UHFFFAOYSA-N 357.479 2.077 0 40 FEAB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3110342 WMNXPRQWCGUZBG-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB COCCc1ncc(CN[C@H](c2cc(O)n3nc(C)cc3n2)C(C)C)cn1 100217732 ZXSSMHGOEKDNAU-IBGZPJMESA-N 370.457 2.209 0 40 FEAB CC[C@@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@H](C)O 89942088 YEXXFCRXNHHZFR-KSSFIOAISA-N 370.515 2.081 0 40 FEAB O=C1C[C@@H](C(=O)NCC(=O)N2CCCc3ccccc32)c2ccccc2N1 57270088 NIJVRBUKWMMMEO-MRXNPFEDSA-N 363.417 2.208 0 40 FEAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1C 58161808 AWOIABQGWMWGTH-AWEZNQCLSA-N 355.438 2.294 0 40 FEAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425713 XWRKLINMKGRDAK-SNVBAGLBSA-N 355.485 2.111 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 26860685 ORUSOQXLQPLHGZ-UHFFFAOYSA-N 355.803 2.169 0 40 FEAB CCC(CC)NC(=O)[C@H]1CN(Cc2ccn(C)c(=O)c2)c2ccccc2O1 58185572 VVGWKPBYXNRMPW-LJQANCHMSA-N 369.465 2.458 0 40 FEAB O[C@H](COc1c(Cl)cccc1Cl)Cn1nnc(-c2cccnc2)n1 58217643 RCNJAKZHPZTDPY-NSHDSACASA-N 366.208 2.482 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 58293615 CEAKOOQTKAYTLR-KGLIPLIRSA-N 353.260 2.489 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCc4ccccc4C3)N2)cc1 2239121 COLSTPIQCSHBLN-SFHVURJKSA-N 362.433 2.236 0 40 FEAB O=C(COC(=O)c1ccccc1O)Nc1ccc(N2CCOCC2)cc1 3309959 DNVJPOPFJYZCIV-UHFFFAOYSA-N 356.378 2.024 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1 7605822 BUTWXJIMLBHEAJ-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 12795990 QHWGFVLDQMHMCZ-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 48289919 RZMLBADBMFOAHA-HRCADAONSA-N 374.485 2.433 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Cl)cn1 48363189 VXQFUMBOMKLVCC-XBFCOCLRSA-N 351.834 2.480 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)no1 3618128 IIOXXZOCUDBQCW-UHFFFAOYSA-N 363.377 2.378 0 40 FEAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13001857 OEYIBOWXGFUMPF-VOTSOKGWSA-N 362.476 2.294 0 40 FEAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 6079107 XSIQGQVBQIEECW-UHFFFAOYSA-N 354.815 2.029 0 40 FEAB COc1ccc(-c2noc(CSc3nc(C)cc(=O)[nH]3)n2)c(OC)c1 4385871 QPBCOWNQJVCADR-UHFFFAOYSA-N 360.395 2.438 0 40 FEAB COc1ccc(OC)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 5252840 YVXXPLJQBHYPFO-UHFFFAOYSA-N 355.346 2.157 0 40 FEAB O=C(CSc1nnc(-c2ccco2)o1)NC[C@@H]1COc2ccccc2O1 5215898 SCRLVKGDLRPSOK-LLVKDONJSA-N 373.390 2.378 0 40 FEAB O=c1oc(-c2ccc(F)cc2)nn1CCS(=O)(=O)Oc1ccccc1 16815219 KBZFUXHVGMZTIH-UHFFFAOYSA-N 364.354 2.051 0 40 FEAB NC(=O)c1ccc(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 16812966 NETILRRSVACBTP-UHFFFAOYSA-N 369.373 2.263 0 40 FEAB O=C(Nc1cccc2cccnc12)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14168022 VZGHWHLKKNTICV-MRXNPFEDSA-N 373.478 2.072 0 40 FEAB COc1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1OC 14139381 OSGOWKAJQYYJIM-UHFFFAOYSA-N 356.300 2.341 0 40 FEAB CCc1nnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1 14117907 DHZVJHYPTJRQPB-UHFFFAOYSA-N 351.413 2.008 0 40 FEAB O=C1S/C(=C\c2ccco2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660550 SKBWAMVSZOHMAL-XTCQQWIJSA-N 364.423 2.079 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14685922 FDXFTJKIHVOBSW-QLFBSQMISA-N 368.499 2.259 0 40 FEAB COc1ccccc1Cn1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O 6840196 HDPTXEYDOZHFIE-UHFFFAOYSA-N 368.364 2.089 0 40 FEAB Cc1ccccc1-n1ccn(CC(=O)Nc2ccc(F)cc2F)c(=O)c1=O 67320621 FLPHLJUIZNUXKO-UHFFFAOYSA-N 371.343 2.225 0 40 FEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 8922869 JTOYEBXSZRBZJE-CVEARBPZSA-N 373.453 2.302 0 40 FEAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 9096167 HFLIZDIVFNPSPZ-UHFFFAOYSA-N 360.435 2.449 0 40 FEAB CC(C)(C)c1csc(NC(=O)Cn2nc3c(cc2=O)CSCC3)n1 71287852 RVOQODDTAXRBDL-UHFFFAOYSA-N 364.496 2.425 0 40 FEAB CCc1c(C(=O)N2CCc3sccc3C2)cnn1-c1ccc(OC)nn1 24745250 PXUPTCQEEOPSDZ-UHFFFAOYSA-N 369.450 2.493 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9544700 CBZGXCNFMDPIAD-DIYXLRBJSA-N 367.442 2.034 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 72400804 VRRKAQUKYXVYMQ-GFCCVEGCSA-N 353.338 2.155 0 40 FEAB C[C@H](CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nnn[nH]1 95941775 CXVGSYIPZIZJPM-SECBINFHSA-N 364.335 2.310 0 40 FEAB CSCC[C@@H]1NC(=O)N(Cc2ccnn2CCc2ccccc2)C1=O 95992637 OZBDWYGJMHZMST-INIZCTEOSA-N 358.467 2.299 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C 9951414 RAWDLQJONAAESA-MRXNPFEDSA-N 358.394 2.404 0 40 FEAB Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 306131269 JZQYKUIEQRJMMC-GZBFAFLISA-N 363.508 2.390 0 40 FEAB Cc1c(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cnn1C 36612452 CEUSHXYZKFGZQQ-UHFFFAOYSA-N 352.847 2.384 0 40 FEAB COc1ccc(CCNC(=O)NCC2CCNCC2)c(Cl)c1OC 563606230 DADZKSNIDCSBHU-UHFFFAOYSA-N 355.866 2.199 0 40 FEAB Cc1csc(S(=O)(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)c1 560285344 VBMGHDPJWSICBL-CYBMUJFWSA-N 357.457 2.194 0 40 FEAB N[C@@H]1CC[C@@H]2CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@@H]21 564570918 HXOOJMKJTKILSU-MSQAHXEGSA-N 353.388 2.480 0 40 FEAB CCc1nn(CC(=O)N(CC)Cc2ccco2)c(=O)c2cc3occc3n12 72346398 VCTSYECNSCIHMB-UHFFFAOYSA-N 368.393 2.446 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)s1 225459450 FFSAUPSBSGKTTJ-JTQLQIEISA-N 354.457 2.235 0 40 FEAB C[C@@H]1CCN(c2cc(C(=O)N3CCC(C)(N4CCOCC4)CC3)ccn2)C1 529914037 NXECLUVETMFOHQ-QGZVFWFLSA-N 372.513 2.255 0 40 FEAB COc1ccc(N(CCCC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 223641923 PEYHQWIBIDTRHC-OAHLLOKOSA-N 368.499 2.500 0 40 FEAB CCOC(=O)C1CCN(C(=O)Cc2nnc(-c3ccc(OC)cc3)o2)CC1 62007224 GRCPQFUHVLQMGF-UHFFFAOYSA-N 373.409 2.089 0 40 FEAB O=C(c1ccoc1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96047315 KQHMHVAKXFPHTD-UHFFFAOYSA-N 354.410 2.228 0 40 FEAB COc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 96181720 SOJKDVJIMCWBPG-ROUUACIJSA-N 358.369 2.371 0 40 FEAB CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cnccc2Oc2ccccc2)C1 582258984 SBNSLMKLVYEQDS-CQSZACIVSA-N 360.435 2.381 0 40 FEAB Cc1cccc(CN2CCC[C@]3(COCCN(c4ncccn4)C3)C2)n1 96229109 SNQLJYVRTQZKOV-FQEVSTJZSA-N 353.470 2.299 0 40 FEAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(C(=O)C1CCOCC1)C2 247850434 VGLGVZBYHCIRHC-SFHVURJKSA-N 360.454 2.093 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3cccs3)cn2CCN1c1ncccn1 253591859 QXLPGDUCPLJUFB-CYBMUJFWSA-N 368.466 2.175 0 40 FEAB CCc1nnsc1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257298075 RKAAQJSGGUOQMJ-UHFFFAOYSA-N 358.471 2.022 0 40 FEAB C[C@]12CCN(C(=O)c3cc[nH]n3)[C@H]1CCC(=O)N2Cc1ccccc1F 257310452 UFCZDSQODIVOKH-LPHOPBHVSA-N 356.401 2.345 0 40 FEAB CN(C)c1nc([C@@H]2CCCN(CC3(O)CCOCC3)C2)cn2cccc12 257307998 TVAPGJVCMBXQMG-MRXNPFEDSA-N 358.486 2.121 0 40 FEAB CNc1cc(-n2nc(C)cc2NC(=O)c2c(C3CCC3)cnn2C)ncn1 622857308 AMNVYVDZDIACAS-UHFFFAOYSA-N 366.429 2.266 0 40 FEAB Cc1ccncc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644495316 QLTZTVLEPHRZAV-NRFANRHFSA-N 353.466 2.423 0 40 FEAB C[C@H]1CC2(CCOCC2)CN1[C@@H](C)C(=O)NCc1ccc(C(=O)O)cc1 652449901 UNPJHOAETCHYKS-GJZGRUSLSA-N 360.454 2.281 0 40 FEAB Cn1cc(N2CCC[C@@H](N3CCC(CCCn4ccnc4)CC3)C2=O)cn1 679952957 ORNBUXZOBYWDHV-LJQANCHMSA-N 370.501 2.304 0 40 FEAB CN1CCN(C(=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 1240322741 ZOIREZSLFAIQMX-UHFFFAOYSA-N 373.478 2.113 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC(C)C)C[C@@H]23)oc1C 585106087 KROWFKGHABAXQF-SJORKVTESA-N 373.497 2.205 0 40 FEAB COc1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)cc1 67897170 HDKPAABINPVARY-UXHICEINSA-N 370.424 2.446 0 40 FEAB biogenic,in-vitro COc1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c(OC)c1 715206 LMNYYCVLNOKOEL-MHWRWJLKSA-N 365.414 2.383 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCc2sccc2C1 11038427 LRBZTYPBXYDVFN-UHFFFAOYSA-N 364.492 2.457 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)n1 11667222 OEFRRATXICNSDV-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ncc(Cl)cc1Cl 14184926 CIHDUXWEGWIRSG-YFKPBYRVSA-N 360.226 2.173 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4)C3)ncc2C1 19590409 CPGXHUGAHZSAOY-INIZCTEOSA-N 366.465 2.250 0 40 FEAB COc1ccnc(NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 575617528 UCPNAMSHLCKVJV-UHFFFAOYSA-N 354.336 2.375 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@H]3C2)c1F 1888860154 KPHUPUIZAQZNPS-STQMWFEESA-N 360.437 2.253 0 40 FEAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4c3ncn4C)CC2)n1 1888897485 GWQQAKMBMJIXOD-UHFFFAOYSA-N 367.457 2.374 0 40 FEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)OCO2 1889061966 LPSQGJULHYQESG-MRXNPFEDSA-N 366.377 2.456 0 40 FEAB COC1(CC(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CCC1 1614932172 AIKMHWWPSGGWSJ-FQEVSTJZSA-N 371.481 2.382 0 40 FEAB COc1cc2c(cc1OC)CN1C(=S)N(Cc3ccco3)C(=O)[C@H]1C2 4761271 NZXURTSIAWFLJH-CQSZACIVSA-N 358.419 2.351 0 40 FEAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 5375508 UGYDAKLXJROEHG-UHFFFAOYSA-N 374.418 2.380 0 40 FEAB Cn1c(=O)c2c(-c3ccccc3F)n(Cc3ccccn3)cc2n(C)c1=O 15083262 LSGWFECISKQZSN-UHFFFAOYSA-N 364.380 2.288 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 2055734727 OVZLDEGASYZTSD-UHFFFAOYSA-N 359.449 2.094 0 40 FEAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(CC3CCCC3)C[C@H]2O1 2055729751 GEQJBDIDIVRSFG-IPMKNSEASA-N 350.503 2.199 0 40 FEAB O=c1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc2ccccn12 1775978360 QQMLXLGFOYDORP-UHFFFAOYSA-N 374.404 2.071 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](OCCO)c1ccsc1 575621663 QMXNABYGUKLJQH-NKEDHYFDSA-N 361.419 2.356 0 40 FEAB COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nnnn32)cc1 4059305 NHBFKYOKTGYAEV-INIZCTEOSA-N 363.381 2.004 0 40 FEAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)N(CCO)Cc1ccccc1 49026130 DPXQYRXIRWABQD-UHFFFAOYSA-N 371.412 2.089 0 40 FEAB CN1C(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCc4ccccc43)cc2C1=O 29487292 VRSVBHHNIHZBKO-GOSISDBHSA-N 363.417 2.470 0 40 FEAB COC(=O)c1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)cc1 40069787 KNFZUEHKDCXRQN-WBMJQRKESA-N 352.390 2.481 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cc12 40040596 UXPSLYFQYMAMQQ-UHFFFAOYSA-N 373.420 2.317 0 40 FEAB CC1CCN([C@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)CC1 50156556 MCPRMKJMLRCIOD-LJQANCHMSA-N 372.513 2.367 0 40 FEAB O=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)NC1CCCC1 40120047 GWSWBGFGRHQHPW-UHFFFAOYSA-N 367.852 2.296 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 40121564 PVGPGLIKYPVPPY-PBHICJAKSA-N 372.469 2.398 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)c2cc3ccccc3oc2=O)c1 40113304 SPGBMSRQSSRCMD-UHFFFAOYSA-N 350.374 2.473 0 40 FEAB Cc1nc(C)c(CC(=O)N(C)Cc2ccccc2N2CCCC2)c(=O)[nH]1 40153173 PSDWRXNHKAOKTQ-UHFFFAOYSA-N 354.454 2.188 0 40 FEAB CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 802862 SJEWXUVWZOKLHW-UHFFFAOYSA-N 362.432 2.192 0 40 FEAB O=C(c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c[nH]1)N1CCCC1 29437931 FNIVJBBJUQZURS-UHFFFAOYSA-N 355.366 2.330 0 40 FEAB CC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1 1251872 MTIWZONHYYTCFT-UHFFFAOYSA-N 357.248 2.441 0 40 FEAB CCC(=O)Nc1cccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)c1 1332557 ZMUSNEADDJUMCS-UHFFFAOYSA-N 366.377 2.491 0 40 FEAB COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(C)C 1742970 GTLGIRWPQZLHMU-SJKOYZFVSA-N 361.394 2.183 0 40 FEAB biogenic Cc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 101330897 MJFQMQCKFRMQEL-DEQQHWRFSA-N 363.410 2.330 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1OC 101362038 GRVYDKKIBNQDHN-RDJZCZTQSA-N 370.336 2.135 0 40 FEAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387391 LOFIUZPOGJBOCI-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB O=C(CN1CCCCC1=O)NC1(c2ccc(F)cc2F)CCOCC1 89855167 UXFOGONKEOCQEG-UHFFFAOYSA-N 352.381 2.099 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCS(=O)(=O)c1ccccc1 32936051 SDIMTQOQKYJMJM-ZDUSSCGKSA-N 351.399 2.183 0 40 FEAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1 9939386 KCBMQZIWDVHSDA-STQMWFEESA-N 370.858 2.140 0 40 FEAB CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 53347003 FYWJVZGDVYQYTA-LLVKDONJSA-N 360.863 2.349 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 22557218 IXJWHUOHKDQRJQ-ZIAGYGMSSA-N 370.405 2.432 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 8374744 SFWCVIAOGZWEAH-UHFFFAOYSA-N 360.435 2.109 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2c1c(C)nn2C 24363712 GPRMTUSLRPEYTI-INIZCTEOSA-N 366.421 2.099 0 40 FEAB CN(Cc1ccccc1)C(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245491 JWOAQXMRTDIKKG-UHFFFAOYSA-N 361.467 2.201 0 40 FEAB O=C(NC1CC2(CCN(Cc3cncc(Cl)c3)C2)C1)c1cnccn1 108526549 LPULUHTZLXTAIR-UHFFFAOYSA-N 357.845 2.310 0 40 FEAB Cc1ccc(C(=O)/N=c2\sn(-c3ccc(F)cc3)nc2C(N)=O)cc1 1417085 NRBJGOMEENRFGQ-JZJYNLBNSA-N 356.382 2.221 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(C(=O)C2CC2)CC1 25588075 AACCFWABUDTJGH-UHFFFAOYSA-N 366.465 2.243 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CN1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)C2 107325037 MAJRPGDEJXIKJT-ALKNCTRMSA-N 356.466 2.125 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2ccc(F)cc2)cc1OC 1913223 CZQYVUAIEVGCIR-UHFFFAOYSA-N 361.369 2.359 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)CCc3ccccn3)CC2)c1 58014323 MYZPWAMYRHUZRW-UHFFFAOYSA-N 353.422 2.007 0 40 FEAB Cc1c(CCC(=O)N2CCCC[C@H]2C(=O)O)c(=O)oc2cc(O)ccc12 2107059 HFAPOHYQUXSMQS-HNNXBMFYSA-N 359.378 2.205 0 40 FEAB biogenic O=C(CNc1ccc(F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11116119 MNMAPNCSYGGZGN-KRWDZBQOSA-N 362.426 2.458 0 40 FEAB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccon1 12979360 GQGHLJNKILNGQY-UHFFFAOYSA-N 356.382 2.129 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C 13137568 JIEQBAFBOKPMMP-UHFFFAOYSA-N 363.414 2.102 0 40 FEAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 5045609 WMJWNZBZQSPFHJ-UHFFFAOYSA-N 365.499 2.142 0 40 FEAB COc1ccc(C(=O)[C@H]2CCCN2C(=O)CNC(=O)CCC(C)C)cc1 89821121 BTNSNNHTQXMYNU-QGZVFWFLSA-N 360.454 2.421 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cc1 39998391 VJNSOABPFFNJIN-GFCCVEGCSA-N 366.464 2.044 0 40 FEAB CC(C)n1cnnc1SCC(=O)N1CCN(C)C[C@H]1c1ccccc1 39983569 BRDXMHJOOJQMKU-INIZCTEOSA-N 359.499 2.466 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)-c1ccccc1CC2 5303034 VUUQKHDOZVMHOB-UHFFFAOYSA-N 356.403 2.222 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c(OC)c1 5483644 MKZSIHTWWZACIK-CYBMUJFWSA-N 371.372 2.321 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccco1 14697080 FRIJMCNKLHLIPW-UHFFFAOYSA-N 352.412 2.110 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccco1 7185768 ZATUDWRNYUIWAZ-RBZFPXEDSA-N 367.405 2.240 0 40 FEAB C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488553 QLISJXYDIUQUEF-JTQLQIEISA-N 373.858 2.332 0 40 FEAB CCN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858497 KDFBZWKROWPKIO-UHFFFAOYSA-N 372.446 2.415 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc2ccccc2oc1=O 19902077 YWEVSEXIFNIUMQ-INIZCTEOSA-N 368.389 2.189 0 40 FEAB C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(Cc2cccc(F)c2)CC1 72682802 RRZRWRKFCXODNT-ZDUSSCGKSA-N 356.463 2.223 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccnc1N1CCCC1 95350850 DQLFIJOURLUCGF-GASCZTMLSA-N 370.453 2.186 0 40 FEAB COc1cccc(OC)c1CC(=O)N[C@H](C(=O)O)c1ccc(F)cc1F 95464024 XDUWTXYDPHCPPJ-KRWDZBQOSA-N 365.332 2.467 0 40 FEAB COc1ccc(C2(C(=O)NCc3nnc4ccccn34)CCOCC2)cc1 79478448 GUCYUKMWFSPSCZ-UHFFFAOYSA-N 366.421 2.103 0 40 FEAB CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)Nc4cccnc4)C3)nn12 32094267 SDBDEZAZEWZIAG-AWEZNQCLSA-N 365.441 2.498 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(OC)c(C)c2)c1 30332233 FXGDXRUXGBSXCQ-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Br)cc1 4520284 JQGZXDQESADKOO-MELADBBJSA-N 366.259 2.177 0 40 FEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccncc2)CC1=O 36367156 XYMADQOCVDYDAT-ZDUSSCGKSA-N 359.813 2.413 0 40 FEAB O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ncccn1 56906795 RABKBKDOIBYKFD-UHFFFAOYSA-N 358.365 2.448 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428923 CEIGEEVEAUKEIG-HLLBOEOZSA-N 366.822 2.343 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C 33769875 KXNJCRUUMIZBAG-UHFFFAOYSA-N 365.407 2.356 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79490708 DPYQCMDVMJJVLP-ZDUSSCGKSA-N 374.828 2.392 0 40 FEAB CCn1nc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)ccc1=O 11780993 VEHWTQMXPHNZCD-UHFFFAOYSA-N 364.808 2.018 0 40 FEAB COc1ccc([C@@H](CC(=O)Nc2ccccc2F)NS(C)(=O)=O)cc1 225955516 YKGXDFHEXRCTSI-MRXNPFEDSA-N 366.414 2.453 0 40 FEAB CC(C)(CNC(=O)CCc1cnn(-c2ccccc2)c1)N1CCOCC1 40009462 SOVNZHADEAEDPS-UHFFFAOYSA-N 356.470 2.032 0 40 FEAB CCn1nnc2c(N3CC(C(=O)Nc4cc(Cl)ccc4C)C3)ncnc21 96096789 HHDXXGSDAWMKHR-UHFFFAOYSA-N 371.832 2.278 0 40 FEAB CC(C)CNC(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244140 IYCICPVHRUYLGY-LJQANCHMSA-N 359.474 2.138 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344255 HWXDEZJHMITXNW-ZDUSSCGKSA-N 352.369 2.371 0 40 FEAB COc1ccnc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1 97024843 MUDWMWVXWDVFLN-UHFFFAOYSA-N 362.455 2.272 0 40 FEAB CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3CCC(C(F)F)CC3)CC[C@@H]21 580878807 VAIZYEKAXXTYTD-PQAZSJQKSA-N 358.433 2.396 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)Cc1cccs1)C2 96227527 PYVVCLTUKZPRIV-VQIMIIECSA-N 355.463 2.241 0 40 FEAB O=C(O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 238027337 CMCXOYQSZCKAML-OAHLLOKOSA-N 362.401 2.001 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)O)[C@H]2c2ccc3c(c2)OCO3)cc1 242592344 OQHKJWXXPITCAS-ZACQAIPSSA-N 360.387 2.364 0 40 FEAB CN(C)C(=O)CN1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 257205702 BAGHKCKAMGVVSK-ZWOKBUDYSA-N 361.461 2.478 0 40 FEAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccccc3F)C2)ncn1 257330431 XOKQOEMSUJTTSC-CYBMUJFWSA-N 356.401 2.070 0 40 FEAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)COc2ccccc2)nc1 257302968 SFEUUQZRGWFVDJ-LJQANCHMSA-N 353.422 2.460 0 40 FEAB C[C@]1(NC(=O)c2cccc(Cc3cccc(F)c3)n2)CCS(=O)(=O)C1 257237886 HIRPVOPIIGUANE-SFHVURJKSA-N 362.426 2.119 0 40 FEAB Cc1ccc(-c2n[nH]cc2CN2CCC[C@@](O)(CC(=O)N(C)C)C2)cc1 643755567 XVXBDZMFRMQLHC-HXUWFJFHSA-N 356.470 2.190 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 643996719 OGOMIADAOCQFMR-MRXNPFEDSA-N 359.253 2.155 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(C)nc(C(F)(F)F)n2)C1 644120528 DFXOOAYWACFCPU-KOLCDFICSA-N 355.320 2.129 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCn2c(nnc2C2CC2)C1 667615533 SJMDNGRVKOCMKF-MAUKXSAKSA-N 356.474 2.355 0 40 FEAB O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@@H]([C@@H]2CCCNC2)C1 647306650 CUHJMJKBHHJHFH-IEBWSBKVSA-N 363.527 2.001 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H]2CO)C3)cc1 585103799 KDLXZELXFNEDKT-PMACEKPBSA-N 372.509 2.463 0 40 FEAB O=C([C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CCN2CCCC[C@@H]2C1 65493070 VJYMUVVCMIOVDV-WBVHZDCISA-N 363.408 2.014 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(CCc4ccccc4)c3n2)o1 12145945 GEIXBUCGAOCHAE-UHFFFAOYSA-N 363.377 2.030 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N1CCCCCC1 12146246 XURAIBCKHIGXNZ-KRWDZBQOSA-N 355.438 2.040 0 40 FEAB Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)s1 14674851 TWFMOXANISDUHP-UHFFFAOYSA-N 373.839 2.397 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)CC)cc1C 16610233 KRTCMICXCGJUDX-CQSZACIVSA-N 356.488 2.319 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18067050 SICUIYHZPIUNSR-CVEARBPZSA-N 365.433 2.307 0 40 FEAB COc1ccc(-c2n[nH]cc2CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1 19557851 ZMUZYXYHZKVALT-MSOLQXFVSA-N 356.470 2.116 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCCN1c1nccs1 206783334 BRZTXKMSHABWDA-GFCCVEGCSA-N 371.459 2.238 0 40 FEAB COC(=O)c1cc(NC(=O)c2cc(N)ccc2N(C)C)cc(C(=O)OC)c1 226324107 VRZUZENNMZJZFE-UHFFFAOYSA-N 371.393 2.160 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@]12CCCN(Cc1ccc(F)cn1)C2 2037873396 GXVBTTBVULEBDF-DYXWJJEUSA-N 369.440 2.425 0 40 FEAB Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CCO3)C2)c1 1142639983 HPZLCFKPCQAISX-PXCRPINLSA-N 356.466 2.085 0 40 FEAB Cc1cc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)n2ncnc2n1 2086992620 IZFXQBXCCRETRQ-ZDUSSCGKSA-N 358.396 2.422 0 40 FEAB COc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c(OC)c1 4089088 STQTZNXFMQPQKX-UHFFFAOYSA-N 370.405 2.349 0 40 FEAB O=C(NCCc1nnc2ccc(N3CCCCCC3)nn12)c1ccccc1 4358622 MDAXILHCJSNVGO-UHFFFAOYSA-N 364.453 2.477 0 40 FEAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NC1CCCC1 4327720 AVXSSDRRPVYOLL-UHFFFAOYSA-N 354.439 2.337 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccc2ccccc12 10333530 KAKMOLRJGBKOSP-INIZCTEOSA-N 352.394 2.185 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccco2)C1 2055751048 BVQFTXQEJBLHHF-FQEVSTJZSA-N 371.437 2.129 0 40 FEAB O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCN(CCO)CC1 38670962 GDUHPHVKUOPUAA-UHFFFAOYSA-N 356.451 2.042 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2ccc(-c3ccnn3C)nc2)cc1 575620723 LQTMGBQFNTUNPF-UHFFFAOYSA-N 350.378 2.199 0 40 FEAB CCCN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 7991008 SQUYPKGDEOMNSQ-ZDUSSCGKSA-N 350.216 2.309 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1F 40013276 DTIBNWOOGCWFGH-GOSISDBHSA-N 364.384 2.210 0 40 FEAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(CN2C(=O)CNC2=O)c1 40080631 DBOIVKXHBADXKO-UHFFFAOYSA-N 362.389 2.401 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nc(-c2ccccc2)n2c1CCCCC2 40086573 BEKREODLXVRVOZ-HNNXBMFYSA-N 373.478 2.193 0 40 FEAB CC(C)[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@H]1CCCO1 1345137 HWFCGYLPDLPZKZ-AEFFLSMTSA-N 359.422 2.325 0 40 FEAB COc1ccc(CCn2c(C)c(C)c3c(=N)n(CCO)cnc32)cc1OC 101414784 HAAXTSSWRZTVTR-UHFFFAOYSA-N 370.453 2.186 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N1CCSc2ccccc21 101547826 RJTYDRVFEMPDRE-INIZCTEOSA-N 353.447 2.042 0 40 FEAB O=C(COC(=O)Cn1cnc2ccccc21)NCCCc1ccccc1 2659857 OOSQMLUNFPHPGW-UHFFFAOYSA-N 351.406 2.329 0 40 FEAB CCN1CCN(C(=S)c2cc(Br)c(O)c(OC)c2)CC1 6953477 MCKACBBVAUVDBR-UHFFFAOYSA-N 359.289 2.476 0 40 FEAB CCn1cc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2 7720141 LWFLBCMAIRFRKV-UHFFFAOYSA-N 350.300 2.148 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1 2633841 MGXDIWSOTZZTQC-UHFFFAOYSA-N 358.419 2.450 0 40 FEAB O=C(COC(=O)c1ccc2ncsc2c1)NC(=O)NCc1ccccc1 2644685 OZDOUBOHEXMVBW-UHFFFAOYSA-N 369.402 2.479 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)CCC2 32778542 JQVBJXZZWRGDSY-DEYYWGMASA-N 371.481 2.313 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102531486 PCTVPHUOMUFQJN-UCQBOQSVSA-N 354.406 2.219 0 40 FEAB COC(=O)CN(Cc1ccccc1C)Cn1ncc2ccccc2c1=O 57100017 IRZNLSPXELULQY-UHFFFAOYSA-N 351.406 2.338 0 40 FEAB Cc1ccccc1OC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 32980119 SACPLVAXQCNSLX-UHFFFAOYSA-N 374.462 2.150 0 40 FEAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 827972 CMQYCGITDUXUDV-UHFFFAOYSA-N 364.858 2.247 0 40 FEAB O=C(CSc1nc(O)c2ccccc2n1)NCc1ccc2c(c1)OCO2 12360239 OETJRLDELSOBBS-UHFFFAOYSA-N 369.402 2.473 0 40 FEAB biogenic,in-vitro O=S(=O)(Cc1ccccc1)NCC1CCN(Cc2ccncc2)CC1 23000204 JWNBZFKGJJYUTG-UHFFFAOYSA-N 359.495 2.413 0 40 FEAB CNC(=O)c1cccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2)c1 55220649 WDBVECCUVQSVQI-UHFFFAOYSA-N 371.412 2.012 0 40 FEAB Cc1c(C)c(C)c(C(=O)OCC(=O)N(C)CC(=O)NC2CC2)c(C)c1C 24833271 FJWCCAFJLBBOGV-UHFFFAOYSA-N 360.454 2.123 0 40 FEAB C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 25061894 NNLDAVCAVYDFLH-TYNCELHUSA-N 358.891 2.025 0 40 FEAB COC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)nc1 26034644 SHWDLIFNXQNIHP-UHFFFAOYSA-N 361.785 2.232 0 40 FEAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCCNC(=O)C1CC1 43945120 PKABSKNGNYLYNI-UHFFFAOYSA-N 356.422 2.333 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 3292476 GWNOENILQFIBNI-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB CNC(=O)c1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10179996 LKLNOKWIJHDTKO-ZDUSSCGKSA-N 366.421 2.222 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C(=O)N(C)C)C(C)C)nc1 58203425 OZNSPJFOIRWBEW-OAHLLOKOSA-N 373.544 2.317 0 40 FEAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ncccc3O)n2)o1 58244914 MVYZHEKGPHCNIQ-UHFFFAOYSA-N 358.379 2.392 0 40 FEAB CNC(=O)C1(NC(=O)CCC(=O)c2ccc(F)cc2F)CCCCC1 58264056 ULLYPJRQJNCSRJ-UHFFFAOYSA-N 352.381 2.493 0 40 FEAB O=C1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CCN1 44959890 BSKFTHQNFCXKQQ-UHFFFAOYSA-N 351.381 2.401 0 40 FEAB CCCNC(=O)NC(=O)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 36434841 XDSTWQOGHSPQBY-UKRRQHHQSA-N 374.268 2.119 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)C[C@H](C)O1 36446959 USAGPZWZIKJZHW-RYUDHWBXSA-N 355.485 2.082 0 40 FEAB O=C(c1cnccn1)N1CC[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306131791 KPTYCNGOAJNDSK-INIZCTEOSA-N 371.404 2.211 0 40 FEAB O=C(NCc1cnn(-c2ccccc2)c1)c1cn(Cc2ccccc2)nn1 48279409 RLOYVBCAUQHNLF-UHFFFAOYSA-N 358.405 2.442 0 40 FEAB CCN(CC(=O)NCc1cccc(NS(C)(=O)=O)c1)c1ccccc1 48363020 KOTQGEFKZTWJNS-UHFFFAOYSA-N 361.467 2.201 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)Cn2ccc(=O)c3ccccc32)cc1 48302796 IFAZLYZKFJGMAU-UHFFFAOYSA-N 364.401 2.447 0 40 FEAB CCCn1c(=O)n(CCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21 12808703 FHPHYQBBNXCDDJ-UHFFFAOYSA-N 366.421 2.341 0 40 FEAB COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1 8234118 CADJJIJMRRACSM-UHFFFAOYSA-N 361.423 2.240 0 40 FEAB C[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38832889 WIHDARVWUZDXAX-KBXCAEBGSA-N 374.462 2.481 0 40 FEAB CCN1c2ccc(C(=O)N3CCOCC3)cc2-c2ccccc2S1(=O)=O 64762035 PCMVDWPQAMPQKU-UHFFFAOYSA-N 372.446 2.355 0 40 FEAB Cc1ccc(NC(=O)NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 6383767 OCASUFYUMREUGD-UHFFFAOYSA-N 351.362 2.248 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc[nH]c1=O 65475688 QUAZTTXWPQOPNL-UHFFFAOYSA-N 370.434 2.054 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 14228797 XSJGKZPHPUQYKY-KRWDZBQOSA-N 371.437 2.406 0 40 FEAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 6549679 RMHBLDVNXNYCDG-UHFFFAOYSA-N 366.464 2.272 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cnn(-c4ccccc4C)c3)CC2)no1 66371381 WMQIBDZUWDYXNO-UHFFFAOYSA-N 365.437 2.435 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O 8751985 QUMDSJALMKCQTQ-VLIAUNLRSA-N 368.437 2.124 0 40 FEAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 8748430 GOAGKNLDWXPQRI-GFCCVEGCSA-N 367.434 2.486 0 40 FEAB CCOC(=O)CCCNC(=O)CSc1nc(-c2cccs2)n[nH]1 6909691 OYPVLGDEHWWZRH-UHFFFAOYSA-N 354.457 2.085 0 40 FEAB C[C@@]1(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1(Cl)Cl 67281197 BUIOTDVRWCVNOB-HNNXBMFYSA-N 356.253 2.386 0 40 FEAB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)N[C@H](C)c1ccc(F)cc1 7007661 SIRYBTOMCZBOSX-KGLIPLIRSA-N 364.417 2.337 0 40 FEAB COc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(C)cc1Br 7616281 LZYKBHJXYSZRDX-JTQLQIEISA-N 364.261 2.223 0 40 FEAB O=C(Nc1cnn(CC(F)F)c1)N1CCC(OC[C@@H]2CCCO2)CC1 83571923 MOXLRXXTKKCHHI-AWEZNQCLSA-N 358.389 2.340 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1C[C@H]2CCCCN2C1 72310039 ZWAXQRIBHKMJIP-WOJBJXKFSA-N 357.498 2.009 0 40 FEAB CCOC(=O)C[C@@H](c1cnn(C)c1C)c1c(O)[nH]c2ccccc2c1=O 72405827 FVALNBYWFJAJOV-ZDUSSCGKSA-N 355.394 2.361 0 40 FEAB CCOC(=O)c1nc[nH]c1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 97744655 LATPAKYRAKTKRB-HUUCEWRRSA-N 357.410 2.454 0 40 FEAB O=C(NCC(=O)N1CCOCC1)c1cc2c(s1)-c1ccccc1CC2 95463804 PFZBDMFMSDDSDS-UHFFFAOYSA-N 356.447 2.102 0 40 FEAB CCn1cc(C(=O)O[C@H]2C[C@@H](OC(=O)c3cnn(CC)c3)C2(C)C)cn1 95997348 KGCLSKAQROWSSW-GASCZTMLSA-N 360.414 2.300 0 40 FEAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1N(C)C(=O)C1CC1 75107258 XKKBLQXANKYOJS-HNNXBMFYSA-N 353.426 2.224 0 40 FEAB O=C1COc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2N1 25456044 ZMLWZUHCLGSCHQ-UHFFFAOYSA-N 365.389 2.392 0 40 FEAB Cc1cc(OCC(=O)N2CCC[C@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1 2102690 QHINZRLGOWBIBL-ZDUSSCGKSA-N 359.378 2.173 0 40 FEAB biogenic CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cn2)c1 32903196 SHIWGYWSFYNEJH-UHFFFAOYSA-N 373.356 2.402 0 40 FEAB COc1ccccc1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 32124181 CVGLWBPAYIIFPT-INIZCTEOSA-N 367.405 2.492 0 40 FEAB biogenic CC(C)(C)C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980563 NLRZTWFWKHYCTE-MRXNPFEDSA-N 360.454 2.337 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 71328794 FPOIDXGBOMOFHP-IFXJQAMLSA-N 373.478 2.125 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc21 224785078 KLBWIRATVLPPGA-SUYBPPKGSA-N 360.479 2.453 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3nc4c(s3)CCCC4)cc2o1 223313710 FFDQAPVLEIQYMS-UHFFFAOYSA-N 351.409 2.257 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC[C@@H](C)c2ccccc2)s1 225138115 NLFUIMDAQJLHRC-LLVKDONJSA-N 368.484 2.215 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2cc(C)ccc2C)s1 224828606 YQCVOBKCYLIYMU-UHFFFAOYSA-N 367.452 2.438 0 40 FEAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1 225466184 XJRMTDQLHFYXCY-OAHLLOKOSA-N 353.532 2.446 0 40 FEAB biogenic,in-vitro O=C(NCC1CC1)[C@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96240843 KZNASEACTZKXOZ-LJQANCHMSA-N 370.493 2.401 0 40 FEAB Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)o1 96208294 CSBBHGAYGKEANJ-KFKAGJAMSA-N 355.438 2.279 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 245333720 ABCMHGZYYZULNK-XJIUQZFPSA-N 366.483 2.155 0 40 FEAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248323280 XOIFHGZGMWBMCE-GYQJYAJYSA-N 372.465 2.484 0 40 FEAB COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cnccn1)CC2 247880753 QBUSSJUSKBWNSO-MRXNPFEDSA-N 370.453 2.070 0 40 FEAB O=C(CCc1ccc(F)cc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257284238 PBVOJAWIRXUQOB-QGZVFWFLSA-N 359.401 2.114 0 40 FEAB Cc1cc(CC(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)no1 262061944 HESYTEHUPYRLIY-INIZCTEOSA-N 371.393 2.244 0 40 FEAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260892909 FJCWORYMACDBFL-IINYFYTJSA-N 360.863 2.028 0 40 FEAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(F)cc1 85467693 TZQAFTLQKOVDOE-QGZVFWFLSA-N 359.376 2.331 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)CCN1c1ccccc1F 602270126 OTUJDUXWXLHIQH-QGZVFWFLSA-N 374.437 2.398 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)c2cnn(CCN(C)C)c2)cc1OC 630633840 RJYGBXYKBQJZBD-QGZVFWFLSA-N 372.469 2.439 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1CNc1ccn(CCc2ccncc2)n1 667898699 YPVIWGYMSHGARD-FUHWJXTLSA-N 352.442 2.444 0 40 FEAB Cc1noc([C@@]23CCN(C)C[C@@H]2CN([C@H](C)c2cnc(C)nc2C)C3)n1 1775960529 PZTXEZNLWTXHPC-VVFCZOMOSA-N 356.474 2.051 0 40 FEAB Cc1noc(C)c1Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 90610210 DZPWGTCOOURHNS-UHFFFAOYSA-N 368.368 2.448 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2ccc(O)nc2)[C@@H]1Cc1ccccc1 585280388 HKEKHPXKRICQRG-ROUUACIJSA-N 353.422 2.139 0 40 FEAB O=C(COc1ccccc1F)N1CCO[C@](CO)(Cc2ccccc2)C1 585272326 NCOOEUITHBEJIO-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB Cn1cnc(C(=O)N2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)c1 585261160 VRQTWVAVDGRIHK-INIZCTEOSA-N 350.422 2.300 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 585095767 IXDGRQRQVWJYKD-OAHLLOKOSA-N 368.428 2.460 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54818402 BKHIZHUNWNGQPJ-ZDUSSCGKSA-N 367.877 2.212 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3COC[C@]3(c3nnc(C)o3)C2)c(C(C)C)n1 1551076262 FUPMKXNWOMIHOJ-IFXJQAMLSA-N 356.426 2.245 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)NC1=O 630271079 DRBUDVKAKBYNFX-OZTPJHRESA-N 358.394 2.121 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160645 SCOUGPDEMREWFH-OAQYLSRUSA-N 365.433 2.049 0 40 FEAB O=C(Cc1cccs1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156491 KSWMJGUIRGWRNH-LJQANCHMSA-N 374.437 2.464 0 40 FEAB CC(=O)N1CCC2(CC1)[C@@H](C(=O)N(C)C)c1ccccc1C(=O)N2C(C)C 1549175171 ZNDSOTHLHGJPSC-GOSISDBHSA-N 371.481 2.104 0 40 FEAB O=C(c1cnn[nH]1)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775971698 SSHUNSPUKRKRCG-UHFFFAOYSA-N 364.409 2.193 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 5050761 IMLVONMJPGQBLU-XXHBBNRNSA-N 351.189 2.445 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575279 JNCRGTFMZVFVHK-UHFFFAOYSA-N 354.472 2.059 0 40 FEAB COc1ccc(CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 18217496 LHJZWDVYCLMYIL-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n1 19572853 DFYMBFBQIDVHDA-CRAIPNDOSA-N 368.485 2.250 0 40 FEAB COc1ncc(C2(O)CCN(Cc3cc(F)cc(F)c3)CC2)c(OC)n1 19594847 CWDUTEVBXRFSJE-UHFFFAOYSA-N 365.380 2.256 0 40 FEAB CCCn1cnc(NC(=O)[C@@H](C)c2nn(CC)c(=O)c3ccccc23)n1 19660574 ICDRMCGCEAFAAA-LBPRGKRZSA-N 354.414 2.160 0 40 FEAB CN1C[C@@H](C(=O)N2CCc3nc(-c4ccc(F)cc4)sc3C2)CC1=O 19719761 LSEUJTUVXCNJBE-LBPRGKRZSA-N 359.426 2.312 0 40 FEAB c1ccc(C(c2ccccc2)N2CCN(c3ccc4nnnn4n3)CC2)cc1 19873416 HJGHZFLJTBZJOH-UHFFFAOYSA-N 371.448 2.431 0 40 FEAB CC(C)CNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935176 LEYYDJNOILIPPM-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB COc1ccc(C(=O)NCCS(=O)(=O)N(C)C2CCCCC2)cc1 4940934 NGRINEUMAMJCER-UHFFFAOYSA-N 354.472 2.019 0 40 FEAB NC1(CNC(=O)NCc2nccc(C(F)F)n2)C2CC3CC(C2)CC1C3 572586313 ICKBAFSRQYANFQ-UHFFFAOYSA-N 365.428 2.367 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 1026579 LPSONDAXRDNWQR-UHFFFAOYSA-N 354.409 2.294 0 40 FEAB O=C1[C@H]2CN(c3ncnc4ccsc34)C[C@@H]2C(=O)N1Cc1ccccc1 1888890912 XUYAYYDXUUFVBI-KBPBESRZSA-N 364.430 2.313 0 40 FEAB COCCn1cnc2c(N3CCN(c4cccc(C)c4C)CC3)ncnc21 1888906623 PUQVNGNPSMILGB-UHFFFAOYSA-N 366.469 2.416 0 40 FEAB CNc1snc(C)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 27674513 FHRKUGKYGFRTSQ-OAHLLOKOSA-N 360.483 2.124 0 40 FEAB O=C1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CN1Cc1cccnc1 1565545738 MYMVLDAFRGNLNE-UHFFFAOYSA-N 363.408 2.468 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)cn23)n(C)c1=O 4370413 NXYGUBHDDHIDRE-UHFFFAOYSA-N 371.828 2.429 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)cc3c2N1CC3 5153586 PJDXLADWUVVRNM-UHFFFAOYSA-N 368.458 2.269 0 40 FEAB CCn1c(=O)c(C(=O)NCCc2ccccc2OC)cc2cccnc21 5303966 KHPRCEYHQPJIQF-UHFFFAOYSA-N 351.406 2.398 0 40 FEAB CCCNC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1 9828626 ZNIXPPFYFXKDDZ-UHFFFAOYSA-N 369.468 2.021 0 40 FEAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)N3CCCC3)cs2)cc1 16850374 LKRJRNKEPWVFSB-UHFFFAOYSA-N 365.480 2.455 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2C)CC1 2055745460 BMSRXTXZQQGCMS-UHFFFAOYSA-N 359.449 2.060 0 40 FEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)OCO2 23106279 PBNDKAXAQDSHLO-KRWDZBQOSA-N 372.396 2.358 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H](Oc3nccnc3OC)C2)cc1 225493116 OPFXTFCSXQTPOD-QGZVFWFLSA-N 371.437 2.496 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 40121491 AVWMGJATUJGYNC-AWEZNQCLSA-N 372.469 2.398 0 40 FEAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116637 MGWNQOUXAMGWKZ-INIZCTEOSA-N 371.359 2.387 0 40 FEAB CC(=O)Nc1ccc2n(c1)cc(-c1cccc(OC(=O)N(C)C)c1)[n+]2C 633440 IKNHXMODNAAOKP-UHFFFAOYSA-O 353.402 2.450 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1sc2cc(F)ccc2c1Cl 7654672 VRFAIJQIJJJYMO-UHFFFAOYSA-N 356.762 2.402 0 40 FEAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1 878297 VYOWZLIBKAWXST-UHFFFAOYSA-N 353.382 2.386 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 2943620 SAKXMOSRQSQGEC-UHFFFAOYSA-N 358.891 2.060 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1cn(Cc2ccc(F)cc2)nn1 4374919 AFLNLZSFANDDPA-HNNXBMFYSA-N 368.368 2.035 0 40 FEAB aggregator COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccccc1F 6237517 HKGDOODKRUYFDS-UHFFFAOYSA-N 366.414 2.266 0 40 FEAB COC(=O)CNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 32907892 GHFAIMKSNXJJSE-UHFFFAOYSA-N 353.378 2.125 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CNS(=O)(=O)c1cccs1)C2 102796930 UGPGDRDWELIICF-OZVIIMIRSA-N 356.513 2.357 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100762954 YLCKQNHDIIGLSU-OKILXGFUSA-N 373.405 2.487 0 40 FEAB NC(=O)C1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 57669640 RNIASRUMZWVDCT-KRWDZBQOSA-N 354.458 2.075 0 40 FEAB COc1cc(OC)c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 101439125 LFYUHFAKNDSODW-NUZBWSBOSA-N 355.774 2.174 0 40 FEAB COC(=O)c1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCC2 61721719 KGXXQFKHWUOREI-UHFFFAOYSA-N 361.379 2.154 0 40 FEAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1Cc1ccc2c(c1)OCCO2 100216237 BIVKLBNHRFPQFD-GJZGRUSLSA-N 353.422 2.394 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccno3)CC2)CN1Cc1cccc(F)c1 108532307 XFWNMEXOJSOLHY-UHFFFAOYSA-N 357.385 2.469 0 40 FEAB CCn1cc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cn1 104611310 NYAXZXBKSONYJO-DAXOMENPSA-N 351.414 2.153 0 40 FEAB O=C1CCc2cc(OCC(=O)Nc3cccnc3-n3cccn3)ccc2N1 25011733 LICJEHNAMYGJEI-UHFFFAOYSA-N 363.377 2.170 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3285046 ABTJAJYDMKDSOY-UHFFFAOYSA-N 358.419 2.440 0 40 FEAB CCc1ccc(NC(=O)[C@@H](Cc2ccc(O)c(OC)c2)c2nnn[nH]2)cc1 57523559 QNWKYHNLJJLOBT-HNNXBMFYSA-N 367.409 2.441 0 40 FEAB COCCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57527968 NWVYWFJBKBWYNN-UHFFFAOYSA-N 363.845 2.333 0 40 FEAB Cc1ccc(F)cc1NC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1 12622428 HYFJRLJFDCDWMQ-UHFFFAOYSA-N 354.385 2.441 0 40 FEAB COc1ccc2nc(C)c(C(=O)NCc3ccc(-n4cncn4)nc3)cc2c1 58003852 UHIRTAXYYSBXFH-UHFFFAOYSA-N 374.404 2.458 0 40 FEAB COc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1NC(C)=O 3326864 ULQCWPUXPNPUAF-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB O=C(Nc1cccc(N2CCNC2=O)c1)N1CCC[C@@H](N2CCCC2)C1 58213354 NKLFOCDLOXXAAS-QGZVFWFLSA-N 357.458 2.308 0 40 FEAB CC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1OCC(=O)NC 58209497 HWWIUYUIARASRD-CQSZACIVSA-N 356.426 2.293 0 40 FEAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC[C@H]4C 2236399 HYECBUNATRZYBS-SECBINFHSA-N 359.455 2.463 0 40 FEAB NC(=O)[C@H]1CCCN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 36389765 PRBSDRVSUFXFDM-RTBURBONSA-N 351.450 2.036 0 40 FEAB CCOCc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1 28348768 KDZWSZYVVJCZGK-UHFFFAOYSA-N 355.438 2.452 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CCc2ccccc2)C1 3445001 HGFJFVWUETXONG-OAHLLOKOSA-N 352.390 2.445 0 40 FEAB Cc1cc(N)nc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1 16664573 SEBPPTSACUWAFP-UHFFFAOYSA-N 358.406 2.309 0 40 FEAB O=C(CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCCC1 12920047 MJYFNODDXQACSU-UHFFFAOYSA-N 368.481 2.328 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2)cc1OC 13112241 DNPKWRAXPOIGKZ-VNHYZAJKSA-N 373.457 2.298 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c(F)c1F 5173382 SHKCUKXGGNMCBX-UHFFFAOYSA-N 366.295 2.244 0 40 FEAB CC(=O)c1ccccc1OCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 14116559 WNMKDAHAVQRTIA-CYBMUJFWSA-N 363.439 2.124 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 5883288 ZBFWIXKSDRJGIS-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB COc1ccc(NC2=N[C@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 4936901 JSNWYMXOFAGDRW-KRWDZBQOSA-N 362.393 2.396 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(N)cc(N)n1 8780414 HRQIIVSJVCUZPJ-UHFFFAOYSA-N 355.826 2.184 0 40 FEAB Cc1nc2ncnn2c(C)c1CC(=O)Nc1cccc(N2CCCC2=O)c1 6988569 DOFCHNOTLKIICL-UHFFFAOYSA-N 364.409 2.049 0 40 FEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)OCCCO2 5992386 KLSPJCAZSQMALJ-UHFFFAOYSA-N 370.192 2.350 0 40 FEAB COCCc1ccc(S(=O)(=O)Nc2cnn(Cc3cccnc3)c2)cc1 67890780 NJFCLJTYRZMLRE-UHFFFAOYSA-N 372.450 2.316 0 40 FEAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCCCC1 15858208 DBHGQBNFQZYHAH-UHFFFAOYSA-N 356.831 2.033 0 40 FEAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc(OC)c2)C1 96000133 YAMGQEOCBFLCQA-HNNXBMFYSA-N 358.442 2.383 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)NC[C@H](O)c1ccccc1F 96006803 VMOWULNZQHOHEJ-HNNXBMFYSA-N 350.371 2.120 0 40 FEAB CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)cc1 75554664 LHBQKDTUHXYFCG-OAHLLOKOSA-N 358.467 2.130 0 40 FEAB COc1ccccc1[C@H](CC(=O)N1CCOCC1)c1oc(C)cc(=O)c1O 96115873 PVNUCDVBNBAUGD-HNNXBMFYSA-N 373.405 2.043 0 40 FEAB biogenic CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1 9668530 NOWLLIHUVLMWON-PWSUYJOCSA-N 354.476 2.264 0 40 FEAB CS(=O)(=O)Cc1noc(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 95460792 CVKUTAZQVWMYOQ-NSHDSACASA-N 368.415 2.356 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)COc1ccc(Br)cc1F 25044490 JRFXBMUAKKEWEJ-UHFFFAOYSA-N 356.195 2.359 0 40 FEAB Cc1ccsc1CN1C[C@@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@H]2C1 306135723 OYUOHALIBIPHAG-UONOGXRCSA-N 371.510 2.235 0 40 FEAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 408626971 JTLRUWPDVUVJLW-UHFFFAOYSA-N 372.402 2.356 0 40 FEAB COc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)cc(OC)c1OC 32646538 CEMBLUMTMHUERF-HXUWFJFHSA-N 371.389 2.434 0 40 FEAB Cn1cccc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)c1=O 35597651 NEWVYIJFABJATA-UHFFFAOYSA-N 354.366 2.048 0 40 FEAB COCCNC(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(N)c1 225414410 NSQWTBWUZHVIST-UHFFFAOYSA-N 373.453 2.317 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCc2ccc(F)cc2)c1 225422238 YBVPFDQXXYMNSZ-UHFFFAOYSA-N 364.442 2.439 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 225607570 SHFFDPCSBXJBFC-BZROYUPASA-N 374.462 2.433 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCC2=CCCCC2)ccc1OC 224222636 PTVNXYAAOAUGQU-UHFFFAOYSA-N 352.456 2.224 0 40 FEAB CC(=O)Nc1ccc(C)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 41089751 RZSNAUATFYYIIC-UHFFFAOYSA-N 355.398 2.318 0 40 FEAB CCC(CC)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225530341 FMDRIMKKQHUNKY-UHFFFAOYSA-N 356.488 2.183 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 96222792 CHBCTJGWBZGTLY-HKUYNNGSSA-N 356.401 2.492 0 40 FEAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc2c(s1)CCC2 96231739 MUTDRSPLZKGSRF-ZDUSSCGKSA-N 370.434 2.081 0 40 FEAB COc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1 96259361 CYOUOJNXAMVXKP-UHFFFAOYSA-N 368.437 2.060 0 40 FEAB CS(=O)(=O)C(Br)(Br)C(=O)c1cccc(F)c1 96518472 VHJLORSMWJPYMQ-UHFFFAOYSA-N 374.025 2.497 0 40 FEAB CCCc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)s1 95475819 PBCNGGIYHTYVAJ-LLVKDONJSA-N 359.411 2.219 0 40 FEAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)s1 96047826 ATNKNIJBLPSKPB-HNNXBMFYSA-N 352.500 2.285 0 40 FEAB Cc1ccnc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248140056 PXXABWFFSYSLEM-MRXNPFEDSA-N 370.453 2.214 0 40 FEAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(CC(=O)N(C)C)C2)ccc1CO 257320733 VYHSTZQWDUECMD-OAHLLOKOSA-N 372.469 2.113 0 40 FEAB COc1c(C)cnc(CN(C)C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)c1C 654638248 YAYPMNCUSAAFQS-AWEZNQCLSA-N 374.445 2.018 0 40 FEAB COc1cc(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2C2CC2)ccc1Cl 1775960286 DAYNVPYSTJLEJJ-ZIAGYGMSSA-N 352.818 2.045 0 40 FEAB O=C(O)c1cnc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)s1 630246163 QNBMHOFUXZCFDR-UHFFFAOYSA-N 360.439 2.463 0 40 FEAB Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C)(C(=O)O)CC3)C2)cc1 635523752 AIVXVOKJDGQSFB-QGZVFWFLSA-N 359.470 2.466 0 40 FEAB COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC(OCc2nc(C)no2)C1 644350471 NMVUNJIEBWPQSQ-QGZVFWFLSA-N 372.425 2.375 0 40 FEAB O=C(O)[C@@H]1CC(=O)N(C2CCN(c3ncc(C(F)(F)F)s3)CC2)C1 650775149 NUUWYUQQMHKDGW-MRVPVSSYSA-N 363.361 2.064 0 40 FEAB CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2cccc(Br)c2)C1 652389783 GGVSFDCDIWFRNW-ZIAGYGMSSA-N 355.232 2.175 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)c1 585273405 UMVNQTWRTYGEAO-OAQYLSRUSA-N 355.434 2.070 0 40 FEAB Cc1nonc1CC(=O)N1CCCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12161525 OWZPRSJWCINOFH-OAHLLOKOSA-N 370.413 2.039 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cnn1C 12188789 VOJLYDXWDDLEFZ-CQSZACIVSA-N 352.398 2.193 0 40 FEAB CCCS(=O)(=O)c1nnc(NC(=O)COc2cccc(C)c2C)s1 13551549 JVDMWHGBSPHVAT-UHFFFAOYSA-N 369.468 2.356 0 40 FEAB Cc1nc(O)c2nsc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2n1 13564100 ALPDZPIFXFJPAC-UHFFFAOYSA-N 371.422 2.189 0 40 FEAB C[C@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)N1CCOCC1 19078219 HMOWVXJCARTLMR-CVEARBPZSA-N 350.434 2.164 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[nH]2)cc1OC 19555459 KOKTYUHRAXODLK-OAHLLOKOSA-N 371.437 2.310 0 40 FEAB O=C(Nc1cccs1)N1CCC2(CC1)OC(=O)N(CC(F)F)C2=O 1889003661 AKGCWBRHVQFKNH-UHFFFAOYSA-N 359.354 2.359 0 40 FEAB COc1cc(OC)cc([C@H](NC(=O)c2cc(C)no2)c2nccn2C)c1 29131230 SRMMDWRHJIPKQK-INIZCTEOSA-N 356.382 2.253 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037909099 VDIIZYFVQGTHSQ-HXUWFJFHSA-N 357.454 2.268 0 40 FEAB O=C1COC[C@]2(CN(Cc3ccc(F)cc3)CCO2)CN1c1ccccc1 2037980735 GTRIVFPKRBNUAW-NRFANRHFSA-N 370.424 2.460 0 40 FEAB O=C(N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1)C1(F)CCC1 1565548529 ZTVZBYMNGNQZLG-QGZVFWFLSA-N 351.397 2.311 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565548062 WYBJOVARSADZHM-UHFFFAOYSA-N 368.412 2.204 0 40 FEAB CCOc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940741 YVPNVEZUQWKJOB-LBPRGKRZSA-N 374.418 2.257 0 40 FEAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]21 2055719473 NPSMGCOPXXHFQA-RVKKMQEKSA-N 350.409 2.470 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(C(C)(C)C)cc3)cnc21 11327467 DSLAIUODQYALFQ-UHFFFAOYSA-N 353.426 2.456 0 40 FEAB COc1cc2c(cc1NC(=O)N1CCO[C@@H](C(N)=O)C1)oc1ccccc12 51237198 OUNFQMHKOPZVIK-QGZVFWFLSA-N 369.377 2.313 0 40 FEAB Nn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 11518632 QCGVTIMGSBUYCC-UHFFFAOYSA-N 360.826 2.495 0 40 FEAB CC(=O)Oc1ccc([C@]2(C)CC(C)(C)NC(=S)N2)c(OC(C)=O)c1 704942 VRBHUQRIIFZWGJ-KRWDZBQOSA-N 350.440 2.399 0 40 FEAB CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ncn(C)c1Cl 59733444 OIMMDQYDUQYKMF-UHFFFAOYSA-N 350.916 2.062 0 40 FEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCC1 1100053 COOQIQSQLJXCGS-UHFFFAOYSA-N 366.483 2.345 0 40 FEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(Cc3ccccc3)CC1)OC2=O 1143117 MAMYMGDMOBSRLQ-NHCUHLMSSA-N 356.466 2.453 0 40 FEAB O=C1CC[C@H](C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1 51570947 PKZVSGLEJLEDDA-JTQLQIEISA-N 369.299 2.325 0 40 FEAB O=C(CN(Cc1ccccc1)C(=O)[C@H]1CSC(=O)C1)NC1CCCC1 1328304 LMIDSGHMFKEUHT-OAHLLOKOSA-N 360.479 2.354 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCCC1 8560485 URQNRBPFKXRKCX-UHFFFAOYSA-N 366.483 2.496 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccccc1OC(F)F 102681515 JBHBNKCSJVGMOT-BETUJISGSA-N 366.364 2.079 0 40 FEAB COCCOc1ncccc1C(=O)NCc1ccc(-n2cccn2)cc1 53503717 QBFBEGKTJWWQLU-UHFFFAOYSA-N 352.394 2.223 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CC2 22636588 NAPNBQHKFCWUBE-UHFFFAOYSA-N 368.389 2.233 0 40 FEAB biogenic CC(=O)c1ccccc1NC(=O)CNc1cccc(-n2cnnn2)c1C 22895756 IHCFLGKAMHVITP-UHFFFAOYSA-N 350.382 2.224 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cccs2)c1 812380 SKHNIZOXNOAYCI-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB CC(=O)N1C[C@H](C(=O)Nc2cccnc2-n2cccn2)Oc2ccccc21 23171556 TZCDSPCTBWGVLO-QGZVFWFLSA-N 363.377 2.020 0 40 FEAB O=C1C[C@@H](c2ccccc2)N(CC(=O)NCc2ccccc2F)CCN1 54395716 OANYVXKNHXYRAC-SFHVURJKSA-N 355.413 2.005 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 12389166 VLULLPJPYMXBEH-UHFFFAOYSA-N 351.366 2.481 0 40 FEAB COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 47383509 CVVIKMAXZALLNP-UHFFFAOYSA-N 366.370 2.372 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 106152889 FCZIXGSKISCUMY-BRWVUGGUSA-N 362.470 2.174 0 40 FEAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)c2n1 25659286 YTOUDXSGTXOJSH-UHFFFAOYSA-N 367.409 2.065 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1C 107659166 YITQTSSRQQVZLX-UHFFFAOYSA-N 365.407 2.356 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 103588420 JGXCYJCEEBJRSK-UDIPTKQPSA-N 371.433 2.419 0 40 FEAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 27326445 TWSOJYIYVHGWTL-CQSZACIVSA-N 362.451 2.207 0 40 FEAB COc1ccc(OCCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1 3278599 ASNVECZTYCDASM-UHFFFAOYSA-N 361.369 2.463 0 40 FEAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 58223922 XBEQUFKYYKIRPM-ZHALLVOQSA-N 372.513 2.396 0 40 FEAB O=C(c1cccc(N2CCNC2=O)c1)N1CCN(Cc2ccsc2)CC1 44959779 UTCUTQVVPKFVNU-UHFFFAOYSA-N 370.478 2.236 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)CCn1nnc2ccccc2c1=O 58381620 RBOQKQAFKUMVGE-UHFFFAOYSA-N 354.385 2.369 0 40 FEAB CCn1nnc2cc(C(=O)NCc3ccccc3N3CCOCC3)ccc21 58416497 KRPGKZHIPPHQSO-UHFFFAOYSA-N 365.437 2.218 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1nc2ccccc2[nH]1 10895448 TUQMCTDFMFDQDS-UHFFFAOYSA-N 367.434 2.452 0 40 FEAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cn1 48193894 AFVSZAJNUYVDBR-GFCCVEGCSA-N 366.343 2.426 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1ccc(Cl)cc1 36654521 RONTUPAXKCNTMA-MRXNPFEDSA-N 371.824 2.119 0 40 FEAB Cc1ccc(-n2nnnc2SCn2nnc3ccccc3c2=O)c(C)c1 3313753 GGGABHNGOJPZKD-UHFFFAOYSA-N 365.422 2.134 0 40 FEAB Nc1nc(CN2C(=O)CC3(CCCC3)C2=O)nc(Nc2ccccc2)n1 8231390 RIRWSWWYYOWHGK-UHFFFAOYSA-N 352.398 2.017 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)c(F)c1F 12700811 POZPKYAPUVEODF-NXEZZACHSA-N 352.312 2.384 0 40 FEAB Cc1cc(=O)n2nc(C(F)(F)F)n(CC(=O)N3CCC(C)CC3)c2c1 12797440 PUPFTWZPSYONLX-UHFFFAOYSA-N 356.348 2.082 0 40 FEAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC[C@@H]1CCCO1 3404066 DGXVSZAGFBJSNT-VIFPVBQESA-N 361.254 2.423 0 40 FEAB CNCC1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 63159762 LVTNFQMGDCPDIP-UHFFFAOYSA-N 361.305 2.378 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 408598358 ZKCVTDWLZCBRSX-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB NC(=O)C1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCOCC1 63915599 FNECWWOEKWUENE-UHFFFAOYSA-N 367.858 2.409 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2cccnc2)cc1C 49944731 VPWGJZYYVPLIGQ-UHFFFAOYSA-N 361.467 2.025 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cn2ccsc2n1 6381935 SMHJYJBKZOJCJE-GFCCVEGCSA-N 355.419 2.459 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 4585937 ZSQVVFBGNFIVDU-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 5533985 ZFOIRJHAPRYDNM-YHUYYLMFSA-N 360.454 2.185 0 40 FEAB COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 4977627 UNHHVKWOWBJMOI-UHFFFAOYSA-N 371.345 2.074 0 40 FEAB C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(N)=O 6994397 FZZUETANTZJYQR-SNVBAGLBSA-N 351.863 2.487 0 40 FEAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O 92769782 PSPXMRPAUIDBEJ-MAZHCROVSA-N 368.499 2.212 0 40 FEAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 8988036 AXECKPSWDWNQOU-SFHVURJKSA-N 356.382 2.087 0 40 FEAB CCCn1nnnc1C[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 92858869 SYIKUUJTBZSDTR-AREMUKBSSA-N 370.482 2.206 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 9227052 OIIGXAWRFXOPHE-HNNXBMFYSA-N 370.384 2.438 0 40 FEAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(OC2CCCC2)cc1 97013295 NCAUQKTWTMOMCH-MRXNPFEDSA-N 362.455 2.413 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1CCCCCCC1 95365211 KWUJMDNCAQNUSI-ZDUSSCGKSA-N 371.503 2.435 0 40 FEAB CCCS(=O)(=O)NC1CCN(c2cccnc2Br)CC1 84758717 HSXOBLGDFZQULH-UHFFFAOYSA-N 362.293 2.142 0 40 FEAB COc1ccc([C@H](CNC(=O)CCc2nc3ncccc3[nH]2)N(C)C)cc1 79477737 PXDPLMPTZICCFR-KRWDZBQOSA-N 367.453 2.318 0 40 FEAB O=C(CCn1cc(Br)cn1)NCc1ccc2c(c1)OCO2 27968918 JDQIXAITAOEYRK-UHFFFAOYSA-N 352.188 2.081 0 40 FEAB Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 95425261 OWDLYJAIQDSYQT-UHFFFAOYSA-N 356.334 2.042 0 40 FEAB Cc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)c2c(C)noc2n1 24893519 IYVRPIIAQDPCBP-UHFFFAOYSA-N 360.395 2.463 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1C 408627189 YIKGVCFZJFMPAF-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB O=C(O)CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4024868 PJOGIXPQIREQTD-SAPNQHFASA-N 352.390 2.439 0 40 FEAB biogenic COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2OC)C1=O 409070481 YHZWXUMCKILHDR-PBJWJZLWSA-N 351.380 2.302 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)OCc1ccccc1 36047928 XDQFVHHQVOMXCL-LJQANCHMSA-N 368.433 2.383 0 40 FEAB COc1ccc(CCCNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 72328171 OQJOKWUSXSJMEZ-QZTJIDSGSA-N 370.449 2.085 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(C)c3C)C2=O)o1 34909933 VMEGZNJTUNFXQE-ZSOIEALJSA-N 357.366 2.114 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1 72406342 SNHZMUWKRVPMIA-VMPITWQZSA-N 368.433 2.185 0 40 FEAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72379220 ROKVBQFROGYTBZ-QGZVFWFLSA-N 353.470 2.378 0 40 FEAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1cccc(F)c1)C2 96219533 ODNZFMMQNZRVJR-OXQOHEQNSA-N 355.413 2.238 0 40 FEAB COc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(C)C4)n3c2)cc1 96156116 HGWFXQDUNVUYAC-ZDUSSCGKSA-N 351.410 2.409 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(Cc1cccnc1)C2 96044982 JGANIGFSPLLBGN-SFHVURJKSA-N 356.470 2.358 0 40 FEAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccccn3)CC2)C1 96220879 XWNWKQLJIITNOZ-GOSISDBHSA-N 366.465 2.372 0 40 FEAB Cc1cccc(CN2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)n1 96238226 WPGOXQUXARBGDF-LJQANCHMSA-N 356.495 2.375 0 40 FEAB Cc1cncnc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 96024482 JIFXYUBWLNMLIB-UHFFFAOYSA-N 358.876 2.011 0 40 FEAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1cccc(Cl)c1)C2 247959645 DXPZZSWMLDRKEV-MRXNPFEDSA-N 352.862 2.178 0 40 FEAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN(C)C)CCO2)n1 257243246 IGAVEFIMANMJNU-QGZVFWFLSA-N 358.442 2.069 0 40 FEAB CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1ccccc1F)C(=O)O 260680888 WQMZCVCKQPEPJY-OAHLLOKOSA-N 355.362 2.427 0 40 FEAB Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 279653171 RCJLYMGUUHEVTF-STQMWFEESA-N 363.437 2.048 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)c1ccc(F)c(Cl)c1 671094361 HHYLBBVYPLNRPE-JOYOIKCWSA-N 364.808 2.053 0 40 FEAB COc1c[nH]c(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1=O 604418625 MCRJWMHRESCQQT-UHFFFAOYSA-N 358.379 2.204 0 40 FEAB Cn1cnc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 588832237 GDMGEVHCIOFEHY-UHFFFAOYSA-N 373.316 2.290 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCN(Cc3cccc(OCCO)c3)C2)c1 585272682 POCUWITZWPOXIB-OAQYLSRUSA-N 357.450 2.382 0 40 FEAB C[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)n1nnnc1C(C)(C)C 680940221 PZVSSXTZRNLQKF-VYDXJSESSA-N 370.501 2.168 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCCN(Cc2cnc3cnccn23)CC1 92534985 NQDMWLAOJNQTFT-UHFFFAOYSA-N 367.428 2.145 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 5197296 LIZZRYDXAJTWFA-ULQDDVLXSA-N 354.406 2.051 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ccccc2)CC1 5246857 YDQJXAVZNPFJAC-UHFFFAOYSA-N 362.433 2.135 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NC1CCCCCC1 12440004 SAHIDFJVKDKYHW-UHFFFAOYSA-N 374.466 2.465 0 40 FEAB CCCNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585843 QJLCWOQISUKJQD-UHFFFAOYSA-N 356.469 2.030 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C 13679834 VYDWXIRVRDOPGR-WOSRLPQWSA-N 366.483 2.300 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3F)C2=O)cc1 15051902 SCJYJSIJZYSWFY-YBEGLDIGSA-N 369.352 2.366 0 40 FEAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cs1 19705873 MKVHZHAVKJFCLH-UHFFFAOYSA-N 372.494 2.497 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935178 WVYZJYZTNANAQH-GFCCVEGCSA-N 374.890 2.418 0 40 FEAB COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 105490305 YUIGSRGRYOBFRF-UXHICEINSA-N 355.390 2.102 0 40 FEAB biogenic,in-vitro CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2ccn(C)n2)c1C 12365970 USFXBLRYYMIHJB-OAHLLOKOSA-N 351.476 2.251 0 40 FEAB Cc1ccnc(N2C[C@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@H]3C2)n1 1888867075 KYPUYFMIFHAVBR-IYBDPMFKSA-N 355.417 2.202 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4ccnc(C)n4)CC3)cnc2c1 1889151738 NZMUJPMAWAGHFB-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB CN1CCc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O 2716263 SADRCHAMVBTJTQ-UHFFFAOYSA-N 354.362 2.061 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1nc2ccc(Br)cc2s1 4078704 CXWHRDHONJXUFX-UHFFFAOYSA-N 368.212 2.146 0 40 FEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1Cl 4941332 WSTYNMSDQQCCPS-GFCCVEGCSA-N 352.818 2.471 0 40 FEAB COc1cc(C(=O)N2CCC[C@@]3(CCCN3Cc3ccncc3)C2)on1 2055785095 DFFIRQKNWXTCCP-LJQANCHMSA-N 356.426 2.349 0 40 FEAB COCCn1ncc2c1COC[C@H]2CNC(=O)CCc1ccccc1F 2055756559 XPICZMBZDARDDA-OAHLLOKOSA-N 361.417 2.031 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(c2ncccn2)CC1 43977361 VVJHXKSDVAFYJA-HWKANZROSA-N 366.421 2.251 0 40 FEAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2377487 ARIRVMSWRDGEGN-PNYQWYFFSA-N 371.433 2.491 0 40 FEAB COc1ccc(CNC(=O)NC[C@@]2(O)CCc3ccccc32)cc1OC 75155800 UVRYFWIUFQQBQL-FQEVSTJZSA-N 356.422 2.337 0 40 FEAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1ccsc1 40154252 FZCDEFXZJPTLER-NVXWUHKLSA-N 371.510 2.412 0 40 FEAB CN1CCN(C(=O)c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)CC1 40106876 OXBRZMYGBPMXCH-UHFFFAOYSA-N 369.440 2.072 0 40 FEAB CC(C)NC(=O)N1CCC(C(=O)Nc2cccc(Cn3cncn3)c2)CC1 40150266 HZSLUNUVNFEHID-UHFFFAOYSA-N 370.457 2.095 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 920639 VHZYBAABCGBZHM-SFHVURJKSA-N 369.396 2.248 0 40 FEAB CCCCCn1c(=O)c2cc3c(=O)n(CCCCC)c(=O)c3cc2c1=O 1689007 RLFBDMHRBDSRKW-UHFFFAOYSA-N 356.422 2.293 0 40 FEAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]32)c1 101277786 KHHFFONFXRHVRC-HZPDHXFCSA-N 370.340 2.341 0 40 FEAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)nn12 32100609 JEFLDQXJYUNLFN-KRWDZBQOSA-N 364.453 2.008 0 40 FEAB CSc1nnc(C)n1NC(=O)c1cccc(I)c1 6861489 FFFBCSPGCSABLU-UHFFFAOYSA-N 374.207 2.297 0 40 FEAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)cc1 101126922 ONOVZUNPHDZFBJ-NHAYFPRASA-N 362.422 2.161 0 40 FEAB CCSc1nnc(NC(=O)CCNC(=O)Cc2ccccc2)s1 32878726 MBFWERYMFVAJBJ-UHFFFAOYSA-N 350.469 2.338 0 40 FEAB COc1ccc2c(c1)cc(C(=O)NCCC(=O)Nc1ccccn1)n2C 12324674 OGDZOFZGAYZYKK-UHFFFAOYSA-N 352.394 2.341 0 40 FEAB COc1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 790607 RMEDAXOWLFADFH-GOSISDBHSA-N 368.389 2.367 0 40 FEAB biogenic,in-vitro COc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cn1 54218799 MPBDYZOAEXIUQQ-OAHLLOKOSA-N 360.414 2.187 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(C)s1 23467500 KROQHCUVGICHEF-UHFFFAOYSA-N 366.468 2.011 0 40 FEAB CC1CCN(C(=O)C2CCN(C(=O)NCc3nccs3)CC2)CC1 105159589 FFEWYQYWRGYDGP-UHFFFAOYSA-N 350.488 2.323 0 40 FEAB CN1CCO[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccncc2)C1 105471685 CSKQKZJIRACOHR-FQEVSTJZSA-N 363.465 2.355 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 24498390 ASRLVBJWNMHCRE-UHFFFAOYSA-N 361.449 2.478 0 40 FEAB Cc1ccc(CCCNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c(C)c1 12690662 MRHNPZNTSHQLNI-UHFFFAOYSA-N 365.433 2.056 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 20495601 ASXFQISLJMUWBO-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB CC(=O)N[C@@H](CC(=O)NCc1cccnc1-n1cccn1)c1cccs1 48168610 ILMRQRLCXUEHLM-HNNXBMFYSA-N 369.450 2.213 0 40 FEAB Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)no1 35684629 XSPXBMAZNYNYBB-GXDHUFHOSA-N 357.391 2.449 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 27053662 MZUYFEKGPNGPNB-UHFFFAOYSA-N 356.513 2.171 0 40 FEAB NC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 44556274 SVZIXDSOXWILDU-SNVBAGLBSA-N 351.241 2.090 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccsc2)C1=O 27192078 VTAIRJAUHRFJRR-KRWDZBQOSA-N 351.472 2.453 0 40 FEAB NC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 10269194 QUMKUKOJWIIPIY-SFHVURJKSA-N 360.417 2.317 0 40 FEAB O=C(CCNc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1 58244810 SFQWHDIRFYRIPW-SFHVURJKSA-N 353.470 2.307 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)COc1cccc(S(C)(=O)=O)c1 48228542 SFKHAZPHEAPVOY-ZDUSSCGKSA-N 351.424 2.199 0 40 FEAB COc1cc(CNC(=O)c2ccc(OCc3noc(C)n3)cc2)ccn1 48324624 YOWFFPAUJDRXQG-UHFFFAOYSA-N 354.366 2.291 0 40 FEAB Cc1cc(C)c([C@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1C 12894099 VGDIAKMFMYRWMS-INIZCTEOSA-N 365.437 2.232 0 40 FEAB Cc1cc2ncn(CC(=O)NC[C@H]3CN(CC(C)C)CCO3)c2cc1C 78390029 HMZXIXIOWSSOEF-KRWDZBQOSA-N 358.486 2.126 0 40 FEAB CNC(=O)c1nn(CN(C)Cc2cccc(Cl)c2)c(=O)c2ccccc12 12894071 KSUVZWYYPWLNJH-UHFFFAOYSA-N 370.840 2.499 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8536536 GNWNKXIBIXRGNX-ODXCJYRJSA-N 369.421 2.255 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1(c2ccc(F)cc2)CCC1 63338261 PPCTWMRJHQZULO-UHFFFAOYSA-N 359.401 2.186 0 40 FEAB O=c1[nH]c(O)ncc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 4270301 XMJRVIBYHAUGAY-UHFFFAOYSA-N 359.363 2.069 0 40 FEAB CCCn1c(SCC(=O)NC)nc2ccc(Br)cc2c1=O 6141394 WHPLEIUREMCTJX-UHFFFAOYSA-N 370.272 2.407 0 40 FEAB CN(c1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl)C1CCCCC1 14183586 CCVFIOJRMLLOTL-GFCCVEGCSA-N 359.879 2.025 0 40 FEAB O=C(Oc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1)c1ccc2c(c1)OCO2 4554644 QYINCPWVXWEDGG-BBRMVZONSA-N 373.386 2.423 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 8708717 VSCXBSCWFBZQHY-LLVKDONJSA-N 354.204 2.108 0 40 FEAB Cn1c(Cc2ccccc2)nnc1SCn1nnc2ccccc2c1=O 5530600 PMZNCOASBPUJJT-UHFFFAOYSA-N 364.434 2.261 0 40 FEAB COc1cccc(NC(=O)CN(C)Cc2cc(=O)n3cc(C)ccc3n2)c1 8848818 WKEJEDKPOHIVKM-UHFFFAOYSA-N 366.421 2.082 0 40 FEAB C[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66480920 IICKTYHKHIUTKL-YJBOKZPZSA-N 362.445 2.244 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)OCc2cccc(F)c2)c1=O 70807674 CUQYNMJAXSQPIR-UHFFFAOYSA-N 356.353 2.066 0 40 FEAB CSc1ccccc1NC(=O)CN(C)C(=O)CSc1nncs1 7194491 PDJDIPSQJGNCRR-UHFFFAOYSA-N 368.509 2.449 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)c1C 7131269 QGJXGVXWYPNJCV-GFCCVEGCSA-N 363.414 2.148 0 40 FEAB O=C(Cc1ccccc1C(=O)O)Nc1ccccc1CC(=O)NC1CC1 71288802 PPALYGKULLSOBM-UHFFFAOYSA-N 352.390 2.387 0 40 FEAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1 7737437 ZWPNJTSTTDAHJP-OUKQBFOZSA-N 374.462 2.244 0 40 FEAB COC[C@@H](C)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113514 VCRVTKGZJSWKCM-GFCCVEGCSA-N 373.478 2.370 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1c(C)noc1C 7987755 QIFMCQORCKMQNL-UHFFFAOYSA-N 352.412 2.273 0 40 FEAB COc1ccc(S(=O)(=O)c2cnc(N3CCC(C)CC3)nc2N)cc1 71772029 YDDKQRXADAKEDQ-UHFFFAOYSA-N 362.455 2.137 0 40 FEAB Cc1ccsc1S(=O)(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 72158828 ZKBRVWQDVPGVLU-CQSZACIVSA-N 364.492 2.409 0 40 FEAB CC(C)[C@H](C)NC(=O)CN(c1ccc(Cl)cc1F)S(C)(=O)=O 9690327 DXTSZMNHAXCTFJ-JTQLQIEISA-N 350.843 2.406 0 40 FEAB CCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccco1 9867175 SINKETXQOATMHA-VIFPVBQESA-N 360.447 2.245 0 40 FEAB O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc(Br)cs1 79251507 MQIAKAJRWSQDDJ-QMMMGPOBSA-N 350.259 2.075 0 40 FEAB O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2CCc3cn[nH]c3C2)CC1 79718589 GIBSJJWKKLLNLV-CQSZACIVSA-N 373.501 2.138 0 40 FEAB O=C(CN1CCN(C(=O)c2cccc(O)c2)CC1)Nc1cccc(Cl)c1 72308322 VBZYECHOLHCFCV-UHFFFAOYSA-N 373.840 2.442 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)/N=c1/sccn1Cc1ccccc1F)CC2 95432746 JXUHKZCZKOSHGS-NXHAUGRDSA-N 371.441 2.327 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cccc([S@@](C)=O)c2)C1 95460952 XQTPZSKFDDTOFI-SHZVTRLKSA-N 361.471 2.447 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306144923 ZSFOYVSJPUMEGN-UONOGXRCSA-N 371.872 2.128 0 40 FEAB Cc1nc2sccn2c1CN(C)C(=O)C1CCN(c2cnccn2)CC1 75092604 WXZAXNYVXNRTOF-UHFFFAOYSA-N 370.482 2.369 0 40 FEAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(F)cc3)n2)cc1 21173153 RZXSNLNFRLCLBO-UHFFFAOYSA-N 354.385 2.391 0 40 FEAB COc1nc(C)nc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)c1C 548661860 RTJHPEUCFOQPNT-KRWDZBQOSA-N 361.471 2.109 0 40 FEAB CC(C)n1cnc([C@H]2CN(C)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139424 SWWRQOKGUXRSJE-XLIONFOSSA-N 353.470 2.307 0 40 FEAB NCC1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218549558 RSMHNGGAKPYTCE-JKSUJKDBSA-N 368.861 2.323 0 40 FEAB CC1(C)CC(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)CC(C)(C)N1 524733403 OPGGIEQZXXXXBZ-UHFFFAOYSA-N 374.514 2.252 0 40 FEAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 74394884 JAFIMHFTDAJVDF-OAHLLOKOSA-N 359.513 2.281 0 40 FEAB O=C(Nc1ccc(Cl)cn1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32094577 FSKDLGLVMNREFM-UHFFFAOYSA-N 364.810 2.487 0 40 FEAB COc1ccc2cc(C(=O)N3CC[C@@H](Oc4cncc(OC)n4)C3)[nH]c2c1 225394667 KWROTTSXKFFBCZ-CQSZACIVSA-N 368.393 2.269 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 224785168 KLBWIRATVLPPGA-DXCKQFNASA-N 360.479 2.453 0 40 FEAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCOCC2)c1 225585678 SCBLEKKTZZKNFN-UHFFFAOYSA-N 371.890 2.135 0 40 FEAB CCOc1ccccc1NC(=O)NCc1nc(C)cc(N2CCOCC2)n1 224181370 SJCXDYYVYLKHKX-UHFFFAOYSA-N 371.441 2.342 0 40 FEAB Cc1cccn2c(CN3CCC[C@@](O)(c4cn(C(C)C)nn4)C3)cnc12 583617466 VXICNINEEVINMY-IBGZPJMESA-N 354.458 2.299 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)N1CCc2ccc(O)cc2C1 531508791 RPCVBNQJQWYZKD-OAHLLOKOSA-N 356.401 2.273 0 40 FEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036857 LYKBVSIQWQUJBQ-KRWDZBQOSA-N 372.469 2.235 0 40 FEAB CC1(C)CN(C(=O)NCc2ccccc2S(N)(=O)=O)[C@@H]1c1ccncc1 580819175 HPRFHVMPABQHIW-MRXNPFEDSA-N 374.466 2.022 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@H](O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 247560982 YRZSGKKPOBJZAB-YGTYGHESSA-N 366.527 2.409 0 40 FEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCNC3)nc21 257200719 AEQHZYDEOFLONQ-CQSZACIVSA-N 352.438 2.350 0 40 FEAB Cc1ccccc1CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 604382590 TVPGDCXMOCSFCS-XRXFAXGQSA-N 367.493 2.353 0 40 FEAB biogenic,in-vitro O=C(O)c1cc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)ccc1O 633138217 FLGOMAPHQQGRNF-KRWDZBQOSA-N 374.368 2.242 0 40 FEAB COc1c(C)ncnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 656137183 BDQANCIPRRXRLH-UHFFFAOYSA-N 358.417 2.214 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2ccncc2F)CC1 673994525 JNSZPNVZTFLUAV-UHFFFAOYSA-N 359.376 2.277 0 40 FEAB Cc1noc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)n1 1775995787 IRZDVUHLYOCATG-LLVKDONJSA-N 368.235 2.222 0 40 FEAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575406006 WNUAFBFQDORHCZ-CQSZACIVSA-N 372.425 2.178 0 40 FEAB CN(C)[C@H]1[C@H](NC(=O)c2ccc(F)cc2)C[C@@H](Oc2ccccc2)[C@@H]1O 585261604 JOHDVVPGRSQDJN-YRXWBPOGSA-N 358.413 2.067 0 40 FEAB Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 12528620 NXPPJHXTEOFTBN-UHFFFAOYSA-N 361.467 2.427 0 40 FEAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C)CC(=O)NC(C)(C)C 16420568 CKYSKMBEPOLDOX-CQSZACIVSA-N 351.516 2.430 0 40 FEAB Cc1nn(C(=O)COc2ccccc2)c(C)c1S(=O)(=O)N1CCCC1 16975998 UYKSIHKAHLFEQD-UHFFFAOYSA-N 363.439 2.004 0 40 FEAB O=C(c1cccs1)N1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 19342715 UJTYKSSEFCTKDC-CYBMUJFWSA-N 354.439 2.349 0 40 FEAB CC(=O)[C@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365894 KPSJPFNMTNAOEQ-MSOLQXFVSA-N 352.862 2.003 0 40 FEAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19500630 UCLJJCHTVUKJLV-MOPGFXCFSA-N 370.501 2.121 0 40 FEAB CC(C)c1nnc(CCC(=O)N2CCC(CCN3CCOCC3)CC2)o1 19657557 LNLWIKYYDGXHCD-UHFFFAOYSA-N 364.490 2.087 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3n2C)C1 19715440 FKUGQEOXBUNGSL-CYBMUJFWSA-N 354.414 2.083 0 40 FEAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2noc3c2CCCC3)CC1 225570258 FFPFMEWVBAJVGN-UHFFFAOYSA-N 355.442 2.127 0 40 FEAB CO[C@H]1CN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)CC[C@]12CCCO2 257228227 FSXPFPJUROKFTR-AZUAARDMSA-N 372.469 2.090 0 40 FEAB Cc1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccc(C)c(C)c4)C[C@@H]3C2)nn1 1888890414 ACLCEINNWGSBQJ-IRXDYDNUSA-N 372.494 2.159 0 40 FEAB CN(Cc1cccc(O)n1)C(=O)CCCc1nc(O)c2ccccc2n1 1119911454 OBFVLPXYJXSGDE-UHFFFAOYSA-N 352.394 2.417 0 40 FEAB COc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1OC(F)F 30792281 DSUOYUNMNCLDCD-UHFFFAOYSA-N 366.320 2.413 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)c1F 244933084 CAJYLNQVLJPFNV-LBPRGKRZSA-N 359.357 2.200 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984749 MKUQXODDYBMJRH-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 1614932574 BEBKQCVYWJMKOJ-JLTOFOAXSA-N 353.422 2.494 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)CCC1 1614930675 KXUMPRUXOHPHEC-MRXNPFEDSA-N 374.485 2.388 0 40 FEAB CCOC(=O)[C@@](NC(=O)Nc1cccnc1Cl)(OC)C(F)(F)F 2613142 JZVCAJIZOJEWBC-LLVKDONJSA-N 355.700 2.325 0 40 FEAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1 4569530 LTYOFGDYPHLCAY-AWEZNQCLSA-N 368.455 2.470 0 40 FEAB Cc1nc2c(=O)n(CC(=O)NC(C)C)nc(-c3ccc(F)cc3)c2s1 8955559 YTSLUXZRENQRAC-UHFFFAOYSA-N 360.414 2.492 0 40 FEAB CC(C)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 12234846 SGDNETOROPZYIB-UHFFFAOYSA-N 358.419 2.468 0 40 FEAB O=c1cc(NCc2cccnc2)[nH]c(=O)n1-c1cccc(Br)c1 44019465 XGWIYWFDUBFWPM-UHFFFAOYSA-N 373.210 2.295 0 40 FEAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccnc1 22371479 LIRGZEQVCLWQRI-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB O=C1C(=O)N(CN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21 20045256 URURFJDFIUCNGH-UHFFFAOYSA-N 353.397 2.130 0 40 FEAB COc1ccccc1CNC(=O)c1sccc1S(=O)(=O)NC1CC1 28928466 WPGDQARGQIBEFA-UHFFFAOYSA-N 366.464 2.127 0 40 FEAB CC(C)(C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccccc1 91750922 IDWNEQVHYBRXSP-INIZCTEOSA-N 351.406 2.353 0 40 FEAB COCCn1c(C(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 32103085 FONALDKZEVDPLJ-UHFFFAOYSA-N 355.369 2.112 0 40 FEAB COCCNC(=O)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(C)C 4902090 CZBKVQPENRDSAJ-VIFPVBQESA-N 355.243 2.394 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 6233653 MVRVBTOCLXZDSA-UHFFFAOYSA-N 366.483 2.027 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/Sc1nnc(C)[nH]1)C(=O)O 6588199 VDRGBEBOCQUPAB-OXBCTQFSSA-N 357.395 2.213 0 40 FEAB CC(C)c1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 6637332 CSIJWVNSSVGNPD-UHFFFAOYSA-N 374.828 2.093 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)Cn1c(=O)oc3ccccc31)OCO2 7989352 CMVRIFOJPOJNKZ-UHFFFAOYSA-N 354.318 2.165 0 40 FEAB Cn1nc(NCCC(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 58393060 SJJFJKGNEXBGKQ-UHFFFAOYSA-N 350.422 2.113 0 40 FEAB CCOCCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10331879 VAFYVLKIORKCFN-OAHLLOKOSA-N 356.488 2.001 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)C1 106933452 ZIZGLTGWHOKZKM-CSMYWGQOSA-N 350.846 2.497 0 40 FEAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(OC)c1 9170521 DTRYZIIRFMTAON-UHFFFAOYSA-N 356.378 2.421 0 40 FEAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 56841890 MPYDBJDJDOOJGA-MAUKXSAKSA-N 367.405 2.153 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OCC(C)C)[C@H]3C1=O 102157196 YCNSXBIJSKDORK-OGNFBWPZSA-N 357.406 2.181 0 40 FEAB CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C(N)=O 103186838 ZWERZTLRDGWTBX-OAHLLOKOSA-N 356.426 2.141 0 40 FEAB CCN(C[C@@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 53434769 KCJLUKKIVZKUIS-INIZCTEOSA-N 368.499 2.357 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268567 LXMWPLHMWBTECU-FPYGCLRLSA-N 363.366 2.115 0 40 FEAB Cn1nc(C2CC2)cc1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 100142683 UOFRJUWNFFKQGE-ZIAGYGMSSA-N 370.428 2.486 0 40 FEAB Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 889660 UPGINWRDNGWWNA-UHFFFAOYSA-N 362.407 2.128 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 819453 NZAHMJMWPJTVMX-RDJZCZTQSA-N 374.824 2.221 0 40 FEAB CCCCc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 12532171 ZOCGXDOKKLTGTJ-UHFFFAOYSA-N 367.453 2.318 0 40 FEAB CC(=O)Nc1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 24193359 YLXYWBSMUZSKSE-UHFFFAOYSA-N 367.449 2.407 0 40 FEAB CCOC(=O)N1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 24471703 ZHYMKZHWUFLACB-UHFFFAOYSA-N 374.466 2.485 0 40 FEAB Cc1cc(Cl)ccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O 20237368 IKZDIDXLSSERFS-UHFFFAOYSA-N 353.831 2.448 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)NC2CCC(C)CC2)cc1OCC(N)=O 56160341 ZICPCZZXMBYZOC-MOKVOYLWSA-N 363.458 2.055 0 40 FEAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)c1 26379692 KOPQYKDITZOWLP-AWEZNQCLSA-N 368.441 2.028 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccc2ccccc2c1 108456123 YERNBHHNAYYKPD-RAUXBKROSA-N 360.413 2.263 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 58224635 ZFZUSKDCPTXMNA-GFCCVEGCSA-N 358.394 2.221 0 40 FEAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1[C@@H]1NCCc2ccccc21 2355840 WVCZOAZIUQFJTR-MRXNPFEDSA-N 369.808 2.120 0 40 FEAB O=C(CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)NC1CCCCC1 58711950 YANUKERLOCNTQX-SFHVURJKSA-N 371.481 2.246 0 40 FEAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10963959 UJWZQNGFNWJDEY-UHFFFAOYSA-N 372.816 2.192 0 40 FEAB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)NCC(F)(F)F)nn2)n1 11140652 VDQIQRJMDSRQTD-SNVBAGLBSA-N 359.377 2.438 0 40 FEAB COc1ccc([C@H](CNC(=O)c2cccnc2S)N2CCOCC2)cc1 12731621 XWOXHMLQWOAYRD-KRWDZBQOSA-N 373.478 2.182 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CN2CCOC2=O)c1 48276558 XYAKYNBGJSNFQF-ZDUSSCGKSA-N 359.426 2.272 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cscn1 48313275 BWODKINUMUILLA-CQSZACIVSA-N 360.483 2.439 0 40 FEAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)ccc21 12854220 IZTJJLCWMSRIQK-UHFFFAOYSA-N 351.410 2.470 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(Cl)c1 3640615 NJWNKXRKNANWCI-AWEZNQCLSA-N 357.790 2.453 0 40 FEAB in-vitro CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccccc1Cl 6182695 JKOQHCQFUSEDOQ-UHFFFAOYSA-N 366.870 2.465 0 40 FEAB Cc1ccc(CN(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1 14134550 LPJFROMQOTZFKT-UHFFFAOYSA-N 359.382 2.139 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1occc1C 14140975 FWEJOWMHNZAVQA-UHFFFAOYSA-N 353.352 2.162 0 40 FEAB CCS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 4777319 OYWQXSRNYXRLNY-UHFFFAOYSA-N 361.402 2.289 0 40 FEAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)s1 6751866 YGOAIFDBFWJNHA-UHFFFAOYSA-N 360.482 2.120 0 40 FEAB COc1ccc(/C=N/NC(=O)COc2cc(C)on2)cc1Br 15514224 YVKOYPJACOFFMA-FRKPEAEDSA-N 368.187 2.283 0 40 FEAB Nc1cc(N)nc(SCc2cc3c(cc2Br)OCCO3)n1 7692727 DVWFPOCZMBHNCG-UHFFFAOYSA-N 369.244 2.467 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(-n2cnnn2)c1 71284775 FQORINIKHNKQGW-UHFFFAOYSA-N 350.357 2.255 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 71283934 FPOIDXGBOMOFHP-AUUYWEPGSA-N 373.478 2.125 0 40 FEAB O=C1CCN(S(=O)(=O)c2ccc3ncsc3c2)c2ncccc2N1 97164870 POJHXXHHOSXUCQ-UHFFFAOYSA-N 360.420 2.229 0 40 FEAB O=C(Cn1nc(Br)nc1Br)NCc1ccccc1 72307041 CGEVCHXQZMJDRK-UHFFFAOYSA-N 374.036 2.120 0 40 FEAB CCOc1cc(CNC(=O)CCc2nc(-c3ccccn3)no2)ccn1 97326522 QBMQCDVJIMWLMH-UHFFFAOYSA-N 353.382 2.174 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)cc1 95943770 GLMWEBGVSDUQSY-UHFFFAOYSA-N 372.450 2.012 0 40 FEAB CCc1cc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)n(C)n1 172162888 CCYAIDPXPKUTMT-UHFFFAOYSA-N 361.471 2.424 0 40 FEAB Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)on1 547707135 NAESPJHKSOOHNJ-STQMWFEESA-N 352.435 2.433 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(CC4CC4)C[C@H]2C3)cc1 306132415 LIBCCSOTGPGYFE-CABCVRRESA-N 367.453 2.053 0 40 FEAB CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)COC2CCCCC2)C1 502499440 FTRDDSLYCNSXIQ-GXTWGEPZSA-N 350.381 2.394 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(O)cc1)CC(O)=N2 71279816 GPVAVIOBNBIZDJ-OCCSQVGLSA-N 361.423 2.380 0 40 FEAB CCCc1nc(S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)O)n[nH]1 213381219 DXUWGHGJPZTMOC-BENRWUELSA-N 364.427 2.405 0 40 FEAB Cc1cc(N2CCC(C(=O)NCC3CCCCC3)CC2)n2ncnc2n1 35312258 CUNASSZUJDVEKC-UHFFFAOYSA-N 356.474 2.346 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217659754 JVVQFXFSFPVNFU-OLZOCXBDSA-N 370.471 2.443 0 40 FEAB N[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218185419 GXEMQMLSSZDCQK-PMPSAXMXSA-N 351.811 2.336 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2OC(C)C)s1 224179469 BUMDYKOYJSEENE-UHFFFAOYSA-N 370.456 2.475 0 40 FEAB CCOc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224220243 YYRLQADPFYOKET-UHFFFAOYSA-N 357.414 2.034 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2)s1 223590467 LAYSNOSHROPATC-SNVBAGLBSA-N 354.457 2.172 0 40 FEAB CCC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224727512 IHBNWORZBYBAEP-UHFFFAOYSA-N 354.457 2.257 0 40 FEAB O[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 96327241 BDNIQCYVYFGHSI-RPVYPSMYSA-N 360.431 2.340 0 40 FEAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccccc2)COC1 96112481 IJXVZVAXGZOHIW-INIZCTEOSA-N 364.405 2.496 0 40 FEAB biogenic,in-vitro O=C(Cc1ccsc1)N1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96108125 RIIDTSCVZHJHSS-ZWKOTPCHSA-N 357.479 2.045 0 40 FEAB O=C(NCCO)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96154854 KMAGEJDSCVNAHO-UHFFFAOYSA-N 365.418 2.242 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106837 USZACGRZMCTQJY-GOSISDBHSA-N 353.422 2.457 0 40 FEAB CCCCN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000182 NEKMWXHVEVDWOC-JKSUJKDBSA-N 370.902 2.263 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 96245437 PFPYAXNDXHVZTL-GJZGRUSLSA-N 350.846 2.183 0 40 FEAB CCn1ccnc(N2CCC(Nc3ncnc4sccc34)CC2)c1=O 333125004 HUUZMCNKYIFVTJ-UHFFFAOYSA-N 356.455 2.349 0 40 FEAB CC(C)(F)C(=O)N1CCC[C@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 583621009 HZNAFANSPDBKAB-ZDUSSCGKSA-N 358.417 2.425 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1nccs1)C2 96050247 QIEFFAOJSYESJZ-SFHVURJKSA-N 360.458 2.205 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257338359 YXAICEKYNOCFAT-GOSISDBHSA-N 354.454 2.230 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3cncnc3)CC2)C1 257252786 JWDPQBCTZOIWHA-SFHVURJKSA-N 352.438 2.377 0 40 FEAB Cc1nccn1CC(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257341776 ZLXSQIJYZVHMOG-ICSRJNTNSA-N 355.438 2.168 0 40 FEAB CCN1C(=O)CC[C@H](C(=O)N(C)Cc2occc2C)[C@H]1c1ccnn1C 615196715 UMCNJZMFHIVYDS-KSSFIOAISA-N 358.442 2.280 0 40 FEAB COC[C@]1(C)CN([C@@H](C(=O)O)c2ccccc2Br)CCO1 629379925 STNLWINXJSUZQH-HIFRSBDPSA-N 358.232 2.312 0 40 FEAB CC(C)CN1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)[C@@H](C)C1=O 635821172 IAJVBVONDRHYBY-JTQLQIEISA-N 359.348 2.135 0 40 FEAB C[C@@H](NC(=O)c1cc(F)ccc1N1CCOCC1)c1noc(C(F)F)n1 644774594 QYWCELKNLJDHHE-SECBINFHSA-N 370.331 2.474 0 40 FEAB CC(C)[C@H]1N(C(=O)NCc2ccccc2S(N)(=O)=O)CC12CC=CC2 645504394 HGUJXAFLUJZXAO-MRXNPFEDSA-N 363.483 2.220 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cnc2c(c1)COCC2 679120704 IKDNAARBVYWIEM-LJQANCHMSA-N 351.406 2.066 0 40 FEAB Cn1nccc1S(=O)(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 585091889 AUCPCDWEQKZNIS-CQSZACIVSA-N 353.419 2.100 0 40 FEAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COc1ccccc1 585274648 ZESHCWYUYRXNTK-NRFANRHFSA-N 370.493 2.391 0 40 FEAB O=C(CCc1cccnc1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585285214 NDGBKGOSROUVQD-XFQXTVEOSA-N 358.413 2.488 0 40 FEAB C[C@H](NC(=O)N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccon1 685940015 LURDMOJJLANYAV-IETSOEAISA-N 350.369 2.459 0 40 FEAB CCc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3oc(C)cc3n12 12115540 RXZHNMLBETUCKP-UHFFFAOYSA-N 370.434 2.491 0 40 FEAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(N)=O)C3)cc2N1 12182908 YLUNUKSSNLUXBH-NTZNESFSSA-N 359.396 2.101 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCn1nccc1C 13227757 QSLMKTBGBRFLMM-GOEBONIOSA-N 350.426 2.221 0 40 FEAB O=C(Cc1ccc(O)cc1)NCCn1nc(-c2cccs2)ccc1=O 13266490 FBHBNVQRMYEFHX-UHFFFAOYSA-N 355.419 2.036 0 40 FEAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 13266639 QUIFKQIQXWPHLP-KRWDZBQOSA-N 371.412 2.358 0 40 FEAB CC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365892 KPSJPFNMTNAOEQ-QZTJIDSGSA-N 352.862 2.003 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19578331 HCGIOKQEAKPDEJ-RYGJVYDSSA-N 354.498 2.188 0 40 FEAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccc3OC)C2)no1 19593553 IZIMZZOHQCZWLJ-OAHLLOKOSA-N 373.453 2.439 0 40 FEAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 19913839 UPRUGGMUFPVAPL-UHFFFAOYSA-N 353.422 2.172 0 40 FEAB Cc1cc(C)n2nc(CC(=O)NCC3CCN(C4CCCC4)CC3)nc2n1 643550861 PWXJMJJKRMBZSF-UHFFFAOYSA-N 370.501 2.054 0 40 FEAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC(=O)NC1CCCC1 6506867 IPKYMFRSOIPTTM-UHFFFAOYSA-N 358.427 2.071 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1565542221 BPHUYKWDBYLBGO-WIYYLYMNSA-N 367.424 2.238 0 40 FEAB COc1ccc(CC(=O)Nc2c(C)nc3ccccn3c2=O)cc1OC 9616812 GMMPCKUFXVQKJA-UHFFFAOYSA-N 353.378 2.201 0 40 FEAB Cc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccco3)nn2)cc1 10324688 WKZMKNYUULPVJV-UHFFFAOYSA-N 359.407 2.402 0 40 FEAB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23106849 ASJSEIXDVUEIMO-INIZCTEOSA-N 373.478 2.185 0 40 FEAB O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1c1ccc2c(c1)OCO2 12416019 YQJSRJIZLRYWCG-LLVKDONJSA-N 350.334 2.381 0 40 FEAB Cc1ccc(CC(=O)N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 40090565 QIDUFUQKJZFXTA-IRXDYDNUSA-N 358.482 2.412 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 40122140 GGZWTPHBDNQRQV-IBGZPJMESA-N 368.481 2.449 0 40 FEAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40160805 RMIXUBFPLHLYQB-AWEZNQCLSA-N 357.237 2.457 0 40 FEAB CC(=O)N1CCC(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 45645415 QQKAQTSTFJDAEZ-UHFFFAOYSA-N 356.426 2.105 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccc(Cl)c2)cc1 8375050 IBTCFNMJCJJMGN-UHFFFAOYSA-N 373.840 2.475 0 40 FEAB COc1ccccc1-c1nnc(SCC(=O)NCc2ccco2)n1C 976407 VWICPFUWCLUFGR-UHFFFAOYSA-N 358.423 2.492 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cs1 6681621 MCXAVUSTABXCQL-UHFFFAOYSA-N 370.452 2.316 0 40 FEAB Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 8511371 HRSSKCLNGIYZNO-UHFFFAOYSA-N 365.480 2.491 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cc(F)cc(F)c1 9856441 WCVMDENORWCCOK-UHFFFAOYSA-N 365.361 2.032 0 40 FEAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 791296 UDFXEDNXBLLRFI-UHFFFAOYSA-N 369.446 2.292 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NCC(=O)NC2CC2)c1 22810984 GFVUEWBFENNHAU-UHFFFAOYSA-N 359.451 2.202 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)nc1 23990956 UTXPQKSUQJVLHR-UHFFFAOYSA-N 361.467 2.258 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3c(=O)[nH]2)n1 54710463 BRSURXDXUAYHFP-UHFFFAOYSA-N 357.391 2.343 0 40 FEAB C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc2c(c1)CCCC2 43076304 YUFOQUSIGVDIQS-AWEZNQCLSA-N 350.422 2.252 0 40 FEAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(C)cc3)[C@@H]2C1=O 101500193 YIDOIDLIGUYRFT-RDJZCZTQSA-N 364.357 2.074 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)OCC(F)(F)F 56325556 WUXSHZRRPUDMHS-UHFFFAOYSA-N 366.361 2.260 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccc4c(c3)OCCCO4)nc2s1 12632791 CLLFZHMWYWGNQZ-UHFFFAOYSA-N 358.423 2.487 0 40 FEAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(N2CCCS2(=O)=O)c1 12616847 BYEYQMNZZKPKIC-UHFFFAOYSA-N 356.407 2.355 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)Cc3ccccc3O)cc2n1 100138965 XHIJKGVBLYXVDE-OAHLLOKOSA-N 352.394 2.355 0 40 FEAB COc1ccc(CCNC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 57530632 RSGWCLAEKSTHAD-UHFFFAOYSA-N 351.406 2.072 0 40 FEAB CCc1ccccc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58166093 NWRMFUHEDLBJBV-UHFFFAOYSA-N 357.439 2.240 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)nn1 58232296 SOXQRWOICWARPY-LJQANCHMSA-N 369.469 2.418 0 40 FEAB Cc1cccc(N2CCN(CCNC(=O)N(C)Cc3cscn3)CC2)c1 58289605 XAOYZEMLYHTVIC-UHFFFAOYSA-N 373.526 2.415 0 40 FEAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc2[nH]nnc2c1 58223455 MZAUDTMNRRYZIV-AWEZNQCLSA-N 350.300 2.440 0 40 FEAB O=C(O[C@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3301355 UZUZGRSGDMYWNN-INIZCTEOSA-N 351.424 2.140 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)C1=O 13428054 WMMAXMHXCNUBRJ-ZFWWWQNUSA-N 368.389 2.133 0 40 FEAB CC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)C(C)C 6219412 RJEOQJMVDXDWRI-KRWDZBQOSA-N 370.453 2.276 0 40 FEAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6273633 WSOZGZUCEGZYMM-OAHLLOKOSA-N 368.499 2.321 0 40 FEAB COc1ccc(OC)c(NC(=O)CCCn2nnc3ccccc3c2=O)c1 5321765 NMWXNEWGVYXSRQ-UHFFFAOYSA-N 368.393 2.228 0 40 FEAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3CCCCC[C@H]32)C1=O 5427000 NRAHLKOHGLFPCR-AWEZNQCLSA-N 359.401 2.168 0 40 FEAB COc1cc(NC(=O)Cn2c(=O)cnc3ccccc32)cc(OC)c1OC 6608274 LVUFVHREVGTOOV-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(NC(N)=O)c1 14600313 NKWUGPXINACIMN-GFCCVEGCSA-N 353.378 2.312 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 5601990 JCDHEGYNOZRHBK-UHFFFAOYSA-N 374.871 2.391 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)c(C)c1 4943994 OGGDNYJYBOCHNJ-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB O=C(CSc1nnc(NCc2ccco2)s1)NC[C@@H]1CCCO1 7161637 XVJGCDNBSUPKFK-JTQLQIEISA-N 354.457 2.131 0 40 FEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)CC)ncn3n2)cc1 15772651 DESKKTNHEZGEHN-CYBMUJFWSA-N 353.426 2.035 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3 15905673 ZIBLVJPAVSRSNK-NEYJZJCJSA-N 361.401 2.002 0 40 FEAB c1cc(COn2nnc3ccccc32)cc(COn2nnc3ccccc32)c1 7786979 DRBHHXNIQRGLNL-UHFFFAOYSA-N 372.388 2.434 0 40 FEAB CC(C)(C)OC(=O)c1nnc2n1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]21 91302789 MNSOYCRJVLPDAH-QWRGUYRKSA-N 350.419 2.198 0 40 FEAB C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1nnnn1-c1ccccc1 71801232 OUWDPAJKWVOEGS-MZHQLVBMSA-N 373.413 2.077 0 40 FEAB CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1=O 72312713 QVWPSQAPSLUQHD-CABZTGNLSA-N 373.236 2.413 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(CC[C@@H]2CCCCN2C)c1C 84773527 ZSNYGZBIXVOCPZ-INIZCTEOSA-N 356.536 2.405 0 40 FEAB Cn1nc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1Br 95460463 WGWHWAXZSNFMJY-UHFFFAOYSA-N 352.160 2.262 0 40 FEAB O=C(NC[C@@H]1CCCN(C(=O)c2cscn2)C1)c1ccncc1Cl 95973379 VKEKHXXEMMGYRO-NSHDSACASA-N 364.858 2.474 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409388738 FETCPHXQYJIQFK-UHFFFAOYSA-N 352.387 2.141 0 40 FEAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30872840 SZZVCOCRSZOKCN-KRWDZBQOSA-N 352.500 2.186 0 40 FEAB COC(=O)c1ccc(Cl)c(CN2CCN(Cc3nccn3C)CC2)c1 511152711 COLHOOPYMUTJOX-UHFFFAOYSA-N 362.861 2.178 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 72355098 FRIHGCQZZXNYEU-IBGZPJMESA-N 351.450 2.174 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccnc1 222978135 CVBZMEPMBPGQQA-INIZCTEOSA-N 363.439 2.274 0 40 FEAB CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 223317054 MSMQCNHMPDNUHP-UHFFFAOYSA-N 359.454 2.222 0 40 FEAB CCOc1cc(NC2CCN(c3nccc4c(O)ncnc34)CC2)ncn1 574464900 WTWMKQKNUDRHKT-UHFFFAOYSA-N 367.413 2.000 0 40 FEAB Cc1nnc(N2CCC3(CC2)C[C@H](OCC2CCOCC2)CO3)s1 96217902 DLIBUUQSIVTXDQ-HNNXBMFYSA-N 353.488 2.418 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)OC3(C)C)s2)cc1 96117982 UKNXCQIRCXEQFJ-GFCCVEGCSA-N 361.423 2.418 0 40 FEAB CC(=O)N1CCC(NC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)CC1 96269379 JGKZDVRKWKKAQK-SFHVURJKSA-N 354.454 2.049 0 40 FEAB biogenic,in-vitro O=C([C@H]1COc2ccccc2O1)N1Cc2ccccc2C2(CCNCC2)C1 96156924 NOFIEOIOGJFQOY-HXUWFJFHSA-N 364.445 2.490 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccccn2)C3)cs1 248067049 XJSBIPRIGCJPND-HNNXBMFYSA-N 359.451 2.437 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257259015 KWLDEGLWBHAWOO-GOSISDBHSA-N 356.426 2.229 0 40 FEAB COCC[C@@H](C)CCS(=O)(=O)NC1CCC(O)(c2cccnc2)CC1 585084733 CKQHZKGTNHVBPM-FAEJEUNOSA-N 370.515 2.194 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)c(C)n1 257243388 IGSTZGLGHGNGDC-OAHLLOKOSA-N 354.414 2.327 0 40 FEAB Cc1ccn(CCC(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)n1 257216357 CUFAXWIHDIFAGY-OAHLLOKOSA-N 354.414 2.084 0 40 FEAB Cc1ncc(-c2nccnc2C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 257339131 ZAHWLCFRVHGCEN-LBPRGKRZSA-N 352.485 2.123 0 40 FEAB CCc1noc(CCC(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257297628 RIEGJGXWTUAAIF-SPYBWZPUSA-N 359.426 2.042 0 40 FEAB Cc1nc(=O)n(C2CCCCC2)c(=O)n1NC(=O)OCc1ccccc1 255190319 WLDUTJDVYWBSNB-UHFFFAOYSA-N 358.398 2.099 0 40 FEAB O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@H]([C@H]2CCCNC2)C1 647306649 CUHJMJKBHHJHFH-HKUYNNGSSA-N 363.527 2.001 0 40 FEAB Cn1cnc2ccc(NC(=O)c3c[nH]c4c(F)cccc4c3=O)cc2c1=O 604419274 FPRIJASOGNEKPS-UHFFFAOYSA-N 364.336 2.166 0 40 FEAB CN1CCC[C@H](CCC(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)C1 95522784 GFRXUGCFQIRTIL-MRXNPFEDSA-N 359.470 2.155 0 40 FEAB CC(C)(C)n1nnc(CN[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)n1 657461824 FJLYCECZKUEYID-RDJZCZTQSA-N 367.457 2.234 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)ncc1I 584277898 ZMZVFHJRMFWWNY-XXILOJSOSA-N 358.179 2.358 0 40 FEAB CC(=O)N1CCN(Cc2cc[nH]n2)C[C@H](Cc2ccc3ncccc3c2)C1 585182521 ZOMGTIXKIAWFPC-SFHVURJKSA-N 363.465 2.481 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cccn2C1 585099246 YQRFPGTYXOSUTM-QGZVFWFLSA-N 365.477 2.388 0 40 FEAB CCN(CC)C(=O)CCCNC(=O)c1nc(N2CCCC2)ncc1Cl 53262582 IWBHYTHAMPWSIU-UHFFFAOYSA-N 367.881 2.109 0 40 FEAB CCNC(=O)N1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 78451517 KMSUJCUOYHRKNX-UHFFFAOYSA-N 354.410 2.361 0 40 FEAB COc1cc(OC)cc(OCC(=O)NCc2ccc(OC)c(OC)c2)c1 5497306 RNDKXQFDPBZOPQ-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1C 11528199 KDTHZXFCXCJMNJ-UHFFFAOYSA-N 373.409 2.046 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 12291443 QNWDMYKWYOYKFW-SPYBWZPUSA-N 366.527 2.410 0 40 FEAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c(C)c1 12522560 CZMFAPKRLVHOTC-SNVBAGLBSA-N 360.443 2.087 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2Cl)n1 13960288 SRNHROZOPRNPHB-XRGAULLZSA-N 357.797 2.252 0 40 FEAB C[C@@]1(CNc2nc(CCn3ncc4c3CCCC4)cc(=O)[nH]2)CCCO1 19461252 PSVDEUMIRYZXFY-IBGZPJMESA-N 357.458 2.069 0 40 FEAB Cc1nn(C)cc1-c1csc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 19659706 ZQBNNENDXZMHEB-NSHDSACASA-N 361.471 2.438 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 5333106 CGENSVGJYYDFAR-SECBINFHSA-N 363.418 2.355 0 40 FEAB Cc1nc2c(c(N3CCN(c4ncnc(C5CC5)c4F)CC3)n1)CCC2 1888849734 ZFUKOGWJSHRPEN-UHFFFAOYSA-N 354.433 2.407 0 40 FEAB CSc1ncc(Br)c(=NC2CN(c3ccccn3)C2)[nH]1 1889108894 MHBSVQBQAOQULO-UHFFFAOYSA-N 352.261 2.079 0 40 FEAB COc1cc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)ncn1 1889180512 UDIMWGWGIDJUNX-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1C 29072792 IQUJHDDYOIWXHS-ZDUSSCGKSA-N 367.409 2.438 0 40 FEAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)C1CC(O)C1)CC2 1565545831 PZKTXYZXTZOSNA-ACBHZAAOSA-N 370.493 2.278 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19370733 HJDXECDWXAGICQ-KRWDZBQOSA-N 350.466 2.461 0 40 FEAB O=C1CCC(C(=O)N(C[C@@H]2CCOC2)C2CC2)=NN1Cc1ccccc1 40121261 DOXAEZABGOFBAG-INIZCTEOSA-N 355.438 2.193 0 40 FEAB CCn1cnnc1CNC(=O)c1cccnc1SCc1cc(C)on1 40113364 IMZLJMQAEJUODC-UHFFFAOYSA-N 358.427 2.212 0 40 FEAB CN1CCc2c(sc3nc(NN)n(-c4cccc(Cl)c4)c(=O)c23)C1 20443259 TTZPCCPZKUOAMF-UHFFFAOYSA-N 361.858 2.374 0 40 FEAB CCN(Cc1ccccc1)C(=O)Cn1nnc(COc2ccccc2)n1 51203147 PDDHFTMSKFKKJA-UHFFFAOYSA-N 351.410 2.301 0 40 FEAB O=C(NCC(=O)N1CCCCC1)c1cc(Cl)c2c(c1)OCCCO2 45850758 OLOFKJGDWSZLLD-UHFFFAOYSA-N 352.818 2.244 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 2639749 JLRAMKGPFZUVKG-UHFFFAOYSA-N 364.283 2.329 0 40 FEAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1C 6477938 IJMNYHSTKQWUFT-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCOCC1 6832239 UEKZMSOKPIXBRC-UHFFFAOYSA-N 354.406 2.476 0 40 FEAB O=C(Nc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 22381411 IDRVTECKJLGARF-CYBMUJFWSA-N 360.439 2.151 0 40 FEAB COC(=O)c1cc2c(=O)n3c(cc2nc1C)[C@@H](c1ccccc1)n1ncnc1-3 22606881 GUKZLRQROWYFEV-QGZVFWFLSA-N 373.372 2.023 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2OCCN(CC)C2=O)cc1 8570021 JIYSPLOQWBPFQD-MRXNPFEDSA-N 362.426 2.219 0 40 FEAB CC[C@@H](C(=O)OC(C)C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958398 POQLMPAXFMYOEL-JTQLQIEISA-N 352.412 2.456 0 40 FEAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OC)c1 1007331 QZBIWCVEAGTPQX-OAHLLOKOSA-N 362.407 2.224 0 40 FEAB CCn1[nH]cc/c1=N\C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 105073539 DJCHDSBVTWMKME-OQKWZONESA-N 359.389 2.276 0 40 FEAB Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)o1 12512910 FRGOTOPYUUGHNE-UHFFFAOYSA-N 358.427 2.088 0 40 FEAB Fc1ccccc1-n1cnn(CN2CCN(c3ncccn3)CC2)c1=S 12533202 JMKGPRNNGKRTQU-UHFFFAOYSA-N 371.445 2.112 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(C(F)(F)F)n1N 3292282 RHQSWDOGALTPJF-QMMMGPOBSA-N 357.361 2.081 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)ccc1O 55618917 HKFKMXUFXQJIPV-UHFFFAOYSA-N 355.343 2.127 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)c(=O)[nH]1 25353226 PVSPYTYKLWVQBW-KRWDZBQOSA-N 370.453 2.454 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)N2CC=C(c3ccccc3)CC2)C1=O 12615511 ZXBCDURLALASGQ-UHFFFAOYSA-N 355.438 2.413 0 40 FEAB Cc1ccc(Nc2nc(N[C@@H]3CCS(=O)(=O)C3)nc3nccnc23)cc1 35681970 JQHAMJLJASCTFG-CYBMUJFWSA-N 370.438 2.071 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2nc(-c3ccccn3)no2)n1 44653236 HLXJSSOAQNIOTG-CYBMUJFWSA-N 368.441 2.330 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cc(F)cc(F)c1 58181061 URJDSKRSAICJQT-UHFFFAOYSA-N 358.344 2.310 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)NCCc1ccn(-c2ccccc2)n1 58193080 TVOWWNJCWBQYQV-AWEZNQCLSA-N 368.462 2.411 0 40 FEAB Cc1ccc(SCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)nc1 58174641 OEGIZRILBYBYBB-UHFFFAOYSA-N 361.452 2.062 0 40 FEAB CC(C)CCO[C@@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O 58227420 VXYRPKXXECLVGA-ZDUSSCGKSA-N 370.471 2.322 0 40 FEAB COc1c2c(cc3c1[C@H](c1nnnn1C1CCCC1)N(C)CC3)OCO2 2130559 HVLXXZUBUPSSFW-OAHLLOKOSA-N 357.414 2.103 0 40 FEAB biogenic COC(=O)c1ccc(CNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 12764505 MMEBXPBLOUKMSR-UHFFFAOYSA-N 368.368 2.431 0 40 FEAB CC(C)(C)c1ccc(C(=O)C(=O)NCc2cccnc2-n2cncn2)cc1 58392388 LGGBYRZNXRRUOZ-UHFFFAOYSA-N 363.421 2.459 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1F 36397238 BKGMIYWIWQFMJP-OAHLLOKOSA-N 371.412 2.236 0 40 FEAB Cc1ccc(OCc2n[nH]c(=S)n2NC(=O)c2cnccn2)c(C)c1 10705203 HPRQQSCVCXFNKW-UHFFFAOYSA-N 356.411 2.310 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 11215680 WKTHWUQNZJTRAN-WBMJQRKESA-N 353.440 2.432 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 13059513 PZJKPZKTAXPOKU-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB COc1ccc(OCCN(C)C(=O)c2n[nH]c(=O)c3ccccc23)cc1 18125154 QAKHUZZDRHYIBO-UHFFFAOYSA-N 353.378 2.083 0 40 FEAB CC(=O)NC1(C(=O)OCc2nc(N)c3ccccc3n2)CCC(C)CC1 64263513 XXDKIPSKOIBOAO-UHFFFAOYSA-N 356.426 2.340 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 39984872 VZWPGXNGHYWBOF-QGZVFWFLSA-N 358.438 2.224 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C 5212051 YWKVFLUFGFCEEW-UHFFFAOYSA-N 373.361 2.229 0 40 FEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(C(N)=O)cc1 4435266 IHQSRXZEUXVZIX-LLVKDONJSA-N 352.346 2.298 0 40 FEAB COc1cc(CC(=O)OCC(=O)N2CCCC[C@@H]2C)cc(OC)c1OC 5475313 XAKCWKJTCPMFQV-ZDUSSCGKSA-N 365.426 2.199 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)C[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 5914981 WJXZXBZHONCJPI-ULMVMLMRSA-N 366.502 2.162 0 40 FEAB O=C(CSc1nc(Cl)nc2nc[nH]c12)Nc1ccc(CCO)cc1 8992860 UFFCXMXOYPGSSF-UHFFFAOYSA-N 363.830 2.272 0 40 FEAB O=C(NCC1=COCCO1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 81167093 KIMUDNSJPZYAEL-UHFFFAOYSA-N 355.272 2.373 0 40 FEAB O=C(CN1C(=O)CCNC1=O)N[C@H](Cc1ccccc1)c1ccccc1 8132638 YOKHNCDHRHZRSN-QGZVFWFLSA-N 351.406 2.029 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C3OCCO3)CC2)c1C 69198877 LKHBTABRIQJZQN-UHFFFAOYSA-N 350.415 2.033 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1 9595736 MJPFSYDLVUPAAC-OAQYLSRUSA-N 369.465 2.419 0 40 FEAB COc1ccc(C(=O)C2CCN(C(=O)CN3CCCCC3=O)CC2)cc1 97256059 SDURDVDKDQMOJT-UHFFFAOYSA-N 358.438 2.129 0 40 FEAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NCc1cccnc1 72404879 AEEBQJONRPASCW-UHFFFAOYSA-N 360.215 2.364 0 40 FEAB COC(=O)NCCCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 89401106 OLKBYUIKYPUSME-ZIAGYGMSSA-N 374.359 2.476 0 40 FEAB Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(F)ccc21 22236437 QCNUEGSKGZFYHR-UHFFFAOYSA-N 354.337 2.336 0 40 FEAB Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20245038 JFRYZKINMGYODZ-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB COc1ccc(CNC(=O)c2c(-n3cnnn3)sc(C)c2C)cc1OC 36358846 WBWLHFJYOUFXMB-UHFFFAOYSA-N 373.438 2.288 0 40 FEAB CC(C)CN1C[C@H](c2cn(C)cn2)[C@]2(CCN(Cc3cccnc3)C2=O)C1 306134733 NWNHERGUEBCHFA-NQIIRXRSSA-N 367.497 2.289 0 40 FEAB C[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCc2ccccc21 33056000 MIYOFBOMFDRUSZ-CQSZACIVSA-N 358.463 2.271 0 40 FEAB Cc1ncsc1C(=O)N1CCC(c2cncc(-n3ccnc3)n2)CC1 72355420 RYQVSAGHBXOUCJ-UHFFFAOYSA-N 354.439 2.447 0 40 FEAB COCCc1noc(CN(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 152491144 KJSBGIKGSGPILH-KRWDZBQOSA-N 372.469 2.129 0 40 FEAB COc1ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 33809270 BQHICZOZUJTQBG-UHFFFAOYSA-N 353.330 2.460 0 40 FEAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(F)cc1F 43941374 MNYLLJRLYKBUJI-UHFFFAOYSA-N 374.391 2.331 0 40 FEAB CCOc1ccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 223651661 VIEIKSVGZZTYFB-UHFFFAOYSA-N 366.483 2.468 0 40 FEAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 222789076 VYPRAHWZBPJTMO-UHFFFAOYSA-N 370.405 2.185 0 40 FEAB COc1ccc(C[C@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 225163206 SOWMOWUOZDITHW-MRXNPFEDSA-N 367.398 2.296 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)no1 96206981 WABBDRQNXRLHLA-APWZRJJASA-N 357.410 2.359 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)n1 96058109 RMKNTRNKBLVOHA-OTWHNJEPSA-N 353.422 2.374 0 40 FEAB CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)c1ccncc1)CC2 96146974 ACRFDYQLFCKNMT-UHFFFAOYSA-N 358.467 2.165 0 40 FEAB CN(Cc1ccncc1)[C@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1 96048077 VLVHWXIIKGWBNV-LJQANCHMSA-N 355.486 2.071 0 40 FEAB O=C(c1ccncn1)N1CCC2(CC1)OCC[C@@H]2CCOc1cccnc1 247859066 LWKRHKCMPOSBSJ-INIZCTEOSA-N 368.437 2.352 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)N4CCCCC4)nc3[C@H]2C)no1 247899798 IGSPPHSRNANFPN-OAHLLOKOSA-N 357.458 2.311 0 40 FEAB Cn1cccc1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 585655713 SBBFKJNJQAOECI-GXTWGEPZSA-N 350.216 2.443 0 40 FEAB O=C(Cc1ccccc1)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O 85467696 YOZRQWAXGQOMSJ-GOSISDBHSA-N 355.413 2.121 0 40 FEAB NC[C@H]1CCCn2ncc(C(=O)N3CCC(Cc4nccs4)CC3)c21 602586506 SCPPOVWVNBAIOA-CQSZACIVSA-N 359.499 2.271 0 40 FEAB COc1cccc([C@H]2C[C@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 285208261 WYGYDYRQXYKZLX-DOTOQJQBSA-N 368.424 2.307 0 40 FEAB O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CC[C@H](C(=O)O)NC1 630700622 CKZASLIOZWEUBA-GXFFZTMASA-N 356.344 2.264 0 40 FEAB Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1-c1cnn(C)c1 633213337 UCNWWMFPDPIUHU-UHFFFAOYSA-N 352.442 2.406 0 40 FEAB NCc1nc2ccc(NC(=O)c3ccccc3CN3CCOCC3)cc2[nH]1 1122370182 KYOCEHKNHNTCDU-UHFFFAOYSA-N 365.437 2.106 0 40 FEAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCc2ccncc21 644417936 ILNNIIIYOZSAHQ-NRFANRHFSA-N 351.450 2.388 0 40 FEAB Cc1nn(C)c(=O)c(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)c1C 648505500 LLMOMXWKDRSWQH-CQSZACIVSA-N 351.410 2.455 0 40 FEAB C[C@H](c1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1)N1CCOCC1 649465076 MHCUEXFQCFDRCO-CYBMUJFWSA-N 355.394 2.425 0 40 FEAB O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[C@@H](n2cncn2)C1 681600685 APAQCFUUILOWBU-VXGBXAGGSA-N 357.241 2.272 0 40 FEAB O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2[C@H](COc2ncccn2)C1 575406769 SLQRECRNKUWVFZ-INIZCTEOSA-N 374.404 2.431 0 40 FEAB CC[C@H](C)N(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 575423597 OVOKLIFNJJSZOY-DZGCQCFKSA-N 369.483 2.174 0 40 FEAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 585277542 IKKHAMAAXFVYDN-INIZCTEOSA-N 358.360 2.199 0 40 FEAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](C)c1cccs1 47518633 YOPAEXKOPSRNLC-LLVKDONJSA-N 371.466 2.317 0 40 FEAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1cccc(C(F)(F)F)c1 53113234 WCIWGHQOCPKKJT-OCCSQVGLSA-N 371.403 2.250 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H]1c1ccccn1 55516530 MXUDCUAPZYHPKZ-KRWDZBQOSA-N 359.451 2.114 0 40 FEAB CN(CCCOc1cccc(Cl)c1)C(=O)Cc1nc2ncccn2n1 55872033 PCLVNTJVSUPHDA-UHFFFAOYSA-N 359.817 2.248 0 40 FEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nccn2CC(C)C)c1 58216768 DSFUSUNABVUCNV-UHFFFAOYSA-N 364.471 2.398 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCc1ccccc1 105936518 LIBKLFXUVLZYHN-WBVHZDCISA-N 352.500 2.328 0 40 FEAB COc1ccccc1[C@@H]1C(C(=O)O)=C(CO)Oc2cc3c(cc21)OCO3 5809630 ITSICKZMPBTGLW-KRWDZBQOSA-N 356.330 2.279 0 40 FEAB Cc1ccc(OCC(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCCC3)cc1 12084932 CPCGBCHZDJVRMS-INIZCTEOSA-N 369.465 2.404 0 40 FEAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NC(C)C 13571648 PARUGMXDHLOYBY-CYBMUJFWSA-N 364.471 2.451 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 14210683 JBXNWNIIZHPIIT-NSHDSACASA-N 362.407 2.413 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccccc2)C1 16023255 QMEBJVWDSPSCDW-INIZCTEOSA-N 352.390 2.080 0 40 FEAB Cc1cn(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)nn1 19238758 SLUJPTNZFMETQM-SFHLNBCPSA-N 367.497 2.456 0 40 FEAB CN1CCc2nc([C@H]3CCN(C(=O)c4ccc(N(C)C)cc4)C3)ncc2C1 19590637 MZHDIQIJYAYRAU-INIZCTEOSA-N 365.481 2.160 0 40 FEAB COc1cccc(F)c1[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 664228854 WAEOVHUZBQUOIL-WOPDTQHZSA-N 358.435 2.160 0 40 FEAB COc1cccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 20916669 RZUREONJTOXUGQ-UHFFFAOYSA-N 374.462 2.290 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CC(=O)NCc1ccccc1N2 2037978099 AQTLKAMUTLBIAN-FQEVSTJZSA-N 353.470 2.277 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 13848915 CXGHWKNIVOYKLQ-UHFFFAOYSA-N 374.462 2.197 0 40 FEAB O=C(c1ccco1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745736 XFTHLMYVIYDJMQ-UHFFFAOYSA-N 360.439 2.102 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CCC(N(C)c3ccncn3)CC2)cc1 1775975746 NCDWGUAZIDBLFK-UHFFFAOYSA-N 360.483 2.216 0 40 FEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575617424 PUXUOJBOVAULBH-RDJZCZTQSA-N 374.510 2.376 0 40 FEAB C[C@@H](c1ccccc1)N1CCC(Cn2nc(-n3cncn3)ccc2=O)CC1 585500539 KAXPNTATVRQHEL-INIZCTEOSA-N 364.453 2.297 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(C[C@H]2CCCOC2)CC1 585503659 VSOMAERDMJRCIJ-GOSISDBHSA-N 368.481 2.444 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1 30009247 RQUJEMDSDHIGAN-UHFFFAOYSA-N 361.370 2.116 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)COC3)c1 50027572 GKOYRFGWKYMXGW-UHFFFAOYSA-N 368.389 2.214 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCn1cccn1 40069620 SGJILLRNLYFXPB-UHFFFAOYSA-N 365.231 2.099 0 40 FEAB NC[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 50246615 CTHZTIDLQILWSX-QMMMGPOBSA-N 353.669 2.072 0 40 FEAB CN(C)Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 31232454 KHWOGQYLEYUQHW-UHFFFAOYSA-N 373.478 2.323 0 40 FEAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC2(CCOCC2)C1 75342162 BIEKSJOWJOPFIB-SFHVURJKSA-N 356.466 2.249 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)CC1 11565990 MWBIFEFYHUSBLA-UHFFFAOYSA-N 351.255 2.155 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(F)c3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487857 RNIOLUYSZZRASJ-YTBGYOSVSA-N 367.373 2.161 0 40 FEAB CSc1ncccc1C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 32810458 CNTIBAVZQRTAKG-HNNXBMFYSA-N 357.435 2.300 0 40 FEAB COc1ccc(C(=O)C2CCN(C(=O)CCc3cnn(C)c3)CC2)cc1 54835538 WSPIMNACMVKWRF-UHFFFAOYSA-N 355.438 2.483 0 40 FEAB O=c1cc(CSc2ncccn2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 8020960 QEZATKQXKSKZHC-UHFFFAOYSA-N 369.381 2.229 0 40 FEAB CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 8286035 KNYMLVPLUPNMMJ-UHFFFAOYSA-N 352.387 2.141 0 40 FEAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379676 MGTKHQAUNWVZTJ-BBWFWOEESA-N 362.495 2.346 0 40 FEAB CCn1nccc1CN(C)C(=O)CCn1cc(Br)c(C)n1 2804871 FZIWDCPBUUPNMP-UHFFFAOYSA-N 354.252 2.219 0 40 FEAB CCOc1ccccc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)n[nH]1 47339057 CQZNDQGXOJUYCH-UHFFFAOYSA-N 357.410 2.455 0 40 FEAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9973842 SXKYGMCCOOMCRK-HNNXBMFYSA-N 368.499 2.402 0 40 FEAB COCCNC(=O)NC(=O)CN(Cc1ccco1)Cc1ccc(C)s1 53084140 GRKGIMHRKFWTAX-UHFFFAOYSA-N 365.455 2.124 0 40 FEAB O=C(COc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 23513408 JSSCCTLOHGSYGI-UHFFFAOYSA-N 366.776 2.436 0 40 FEAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)no1 76023153 KHTIDQFRWFEMIR-QWHCGFSZSA-N 353.419 2.171 0 40 FEAB COC(=O)COc1cccc(NC(=O)c2ccc(CCNC(C)=O)cc2)c1 24951880 YXAQPKWWOVDJDB-UHFFFAOYSA-N 370.405 2.169 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 51356986 XDHHMRQTEAFFKB-UHFFFAOYSA-N 371.345 2.040 0 40 FEAB C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)NC(=O)NC1CC1 56187666 OTBFYHCNKIYMGJ-CYBMUJFWSA-N 354.410 2.449 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(C(F)(F)F)cc1 3312213 XFJBJFPIRRRLKZ-UHFFFAOYSA-N 370.283 2.210 0 40 FEAB C[C@]1(NC(=O)COC(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 44516524 BRUBCLLFHJHNJY-FQEVSTJZSA-N 373.474 2.486 0 40 FEAB O=C(CN1CSCC1=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 25033771 OITYXMYRZWHGHX-IBGZPJMESA-N 366.446 2.301 0 40 FEAB CC(C)[C@H]1CN(Cc2ccco2)CCN1Cc1nnnn1Cc1ccco1 22914334 GCGMLBAAZKAGKN-GOSISDBHSA-N 370.457 2.250 0 40 FEAB O=C(COc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 36103443 PJXSQCSJANQQJD-UHFFFAOYSA-N 352.862 2.290 0 40 FEAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1cccnc1 44919369 OEFJMFFUONWIJL-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB COc1ccccc1/C=c1/sc2nc(-c3ccccc3OC)nn2c1=O 2264509 VFOWTBWNNOVCPH-LFIBNONCSA-N 365.414 2.383 0 40 FEAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccco1)C2 306138377 RWCXYNZPQJBCKR-CQSZACIVSA-N 359.401 2.429 0 40 FEAB CC[C@]1(C)Cc2c([nH]c3nc(NN)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2304758 ZMQKAKXUYBXXLW-LJQANCHMSA-N 369.425 2.249 0 40 FEAB CCC(CC)NC(=O)COC(=O)COc1ccc(C(C)=O)cc1OC 3420280 MBZXYNVDAHJQMH-UHFFFAOYSA-N 351.399 2.125 0 40 FEAB Cc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 12916514 UQLVMGUACIENKN-AWEZNQCLSA-N 354.406 2.373 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 13252489 XMFWKARFMOSRDZ-UHFFFAOYSA-N 357.391 2.049 0 40 FEAB COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(N)(=O)=O 6087455 UOFKZZNSXYBOMO-UHFFFAOYSA-N 372.805 2.316 0 40 FEAB CCC(CC)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 4285376 VLWZPUOAVGFFFY-UHFFFAOYSA-N 355.456 2.007 0 40 FEAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 13723376 WWDQMLFFFTXBKU-CQSZACIVSA-N 363.377 2.476 0 40 FEAB Cn1cccc1C(=O)NC(=O)CSc1nccn1Cc1ccccc1 9466292 CVCKDFVDECCLHU-UHFFFAOYSA-N 354.435 2.319 0 40 FEAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14076395 SDFLDVXLJLYPBW-GASCZTMLSA-N 365.499 2.379 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2nnc(-c3ccccc3)o2)c2ccccc21 14167597 UWHQNWPVCONDIM-UHFFFAOYSA-N 364.361 2.133 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2ncccn2)CC1 14159001 YQMWAXGYHAUPKV-KRWDZBQOSA-N 355.442 2.025 0 40 FEAB COc1cc(CCC2CCN(c3ccc4nnnn4n3)CC2)cc(OC)c1 14316388 HKQZEWJUOPVSKG-UHFFFAOYSA-N 368.441 2.386 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cnccn1 5895698 PAFYLKUNZNWNRZ-UHFFFAOYSA-N 360.439 2.294 0 40 FEAB O=C(NCC(F)(F)F)NC1CCC(NC(=O)NCC(F)(F)F)CC1 67299419 PLTMACNGBYSGAK-UHFFFAOYSA-N 364.290 2.021 0 40 FEAB COC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C(N)=O 7022573 SLBHVYDZQWRHJO-UHFFFAOYSA-N 362.769 2.243 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2ccccc2C1 67850229 PUAFHJZWHYMQBT-UHFFFAOYSA-N 351.450 2.099 0 40 FEAB CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1N1CCOCC1 7723079 JNFPFIZKXQHULA-CYBMUJFWSA-N 367.519 2.064 0 40 FEAB Cc1cc(=O)n2nc(CSc3nnc(NC4CC4)s3)sc2n1 7853995 KEEORBZEXCOOPK-UHFFFAOYSA-N 352.470 2.178 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1 8133479 VCQBXYJQSRVKQH-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB CCCCN1C(C)=CC(=C2C(=O)NC(=S)NC2=O)C=C1C(F)(F)F 16756475 QGHLVHCESFMPES-UHFFFAOYSA-N 359.373 2.280 0 40 FEAB COc1cc(C(=O)NC2CCCCCC2)cc(OC)c1OCC(N)=O 16960833 FCVXSQYAYAWYOY-UHFFFAOYSA-N 350.415 2.021 0 40 FEAB O=C(CN(CCO)Cc1ccccc1)NCCc1nc2ccccc2s1 96969583 PMRLSMNEBKYGGD-UHFFFAOYSA-N 369.490 2.450 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCOC(C)=O)c1ccc(Br)cc1 79016221 PQIFKLPDTNAWQA-CYBMUJFWSA-N 372.215 2.123 0 40 FEAB CCOC(=O)c1ccc(N2CCN(Cc3nccn3C(C)C)CC2)nc1 72271294 GRQKWYSUIRAUNA-UHFFFAOYSA-N 357.458 2.358 0 40 FEAB CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccccc2N(C)C)cc1 97163865 GDRHIKMDSQGJON-UHFFFAOYSA-N 361.467 2.214 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(c2cccc(F)c2)=NO1 84549322 ZSEDOMPJGXNPRR-CRAIPNDOSA-N 367.380 2.240 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)N[C@H](C)c2ccccc2)C1 95437102 IRIAYGDFNLRBFO-NVXWUHKLSA-N 360.454 2.446 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)cc1 408526177 ACTSXBKVAOEEII-UHFFFAOYSA-N 374.466 2.052 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)c1 75164042 IBAHADFBNGRQNP-KRWDZBQOSA-N 366.377 2.051 0 40 FEAB Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)CC2CCCCC2)cn1 89755159 IBRBWTYIIOJYFC-MRXNPFEDSA-N 353.488 2.367 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)NCCn2cnc3ccccc32)c1C 524735137 YRXSSHZSIJXEAA-UHFFFAOYSA-N 367.438 2.120 0 40 FEAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OC 409378778 RSAZRBDECBTLLO-SNVBAGLBSA-N 367.203 2.032 0 40 FEAB CC(C)(C)OC(=O)NCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O 38528848 IEQFHDBZITZXMZ-JTQLQIEISA-N 364.464 2.222 0 40 FEAB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccco1)N=2 33736416 OLBMGXBVMDKIMG-CTXBLAANSA-N 360.435 2.252 0 40 FEAB CCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1N 121667580 PBJYCTNUQFRJLT-UHFFFAOYSA-N 370.276 2.356 0 40 FEAB O=C(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)N1CCN(c2ccccc2)CC1 78924870 CXUMCHIHWQVCBH-HDICACEKSA-N 370.497 2.167 0 40 FEAB COCCNC(=O)c1cccc(Nc2nc(C)nc3c(C)n(C)nc23)c1 41070274 IBEYKPSIUZSZIJ-UHFFFAOYSA-N 354.414 2.100 0 40 FEAB C[Si](C)(CNC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 195565226 OBJIOXIJWPQEGU-UHFFFAOYSA-N 354.526 2.408 0 40 FEAB CC(C)(C)CN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 225422362 UJIIYTZSSVWBLW-CQSZACIVSA-N 353.532 2.039 0 40 FEAB biogenic,in-vitro COc1cc(N2CCOC[C@H]2c2nccc(NC3CCCC3)n2)ncn1 96220594 HTAPHCATSVMBPS-AWEZNQCLSA-N 356.430 2.208 0 40 FEAB COc1cccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 95117163 DMGXWFJQOQPYQV-OAHLLOKOSA-N 365.451 2.064 0 40 FEAB O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COc2ccccn2)C1 96207137 BDSJHMXVASGZCQ-OAHLLOKOSA-N 352.394 2.151 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@H]2COC 253493224 SOXVKTWGOAMBSQ-INIZCTEOSA-N 372.556 2.258 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]2N(C(C)=O)CCC[C@@]21C 257317044 VIDGUSGZMJMQAD-ICSRJNTNSA-N 360.454 2.466 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@H](c2nccnc2Nc2cnccn2)C1 257226109 FJENGAQMDMVFCW-ZDUSSCGKSA-N 356.430 2.141 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2c(C(C)C)noc2C)n1 257313129 URDMNIBSPLXAGP-CYBMUJFWSA-N 359.430 2.460 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)Cc3cccnc3)C2)n1 257287962 PSFLFMOBDWPWMX-INIZCTEOSA-N 362.437 2.139 0 40 FEAB CCOc1cc(CN2CCC[C@@]2(COC)C(N)=O)cc(Cl)c1OC 643763312 ZHOMNRGJWUIXCB-QGZVFWFLSA-N 356.850 2.214 0 40 FEAB C[C@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)[C@H]1CCCS1 585098378 XHXQKRKQEWYLBL-GXTWGEPZSA-N 359.455 2.051 0 40 FEAB COc1ccc(CC(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1OC 1565522739 YXRHXMBWIXIMJP-MRXNPFEDSA-N 364.511 2.286 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCCN(C)CCO)c3c(C)noc3n2)cc1 1303626104 RKROHILSGPWXDO-UHFFFAOYSA-N 368.437 2.161 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c1C 5242161 PCOKRDGNGUSJSY-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc3nccnc3c1)C2 12120710 ADTSWMQXXRUIBD-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H]4CCOC4)nn3cn2)cc1 19575517 HXFPAVIQQVTYRS-TZMCWYRMSA-N 367.409 2.014 0 40 FEAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929872 KURGPJVFPGXOGP-CQSZACIVSA-N 356.488 2.319 0 40 FEAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930030 XBWMBCLXRTWPDS-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 156958782 XAVQJASBMDYQRP-DDBAPUKQSA-N 360.454 2.453 0 40 FEAB C[C@@H]1OCCN(C(=O)c2cccc(Cn3ccnn3)c2)[C@@H]1C(F)(F)F 622981136 SXWJSLCMVZHYEJ-FZMZJTMJSA-N 354.332 2.118 0 40 FEAB CCN1C(=O)NC2(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 8769321 OPZACYJJQOJVGX-UHFFFAOYSA-N 369.343 2.252 0 40 FEAB Cn1nc2c(c1CN1CCC[C@H](C(=O)N3CCSCC3)C1)CCCC2 1889108756 BIZCUUAXGLICDH-HNNXBMFYSA-N 362.543 2.086 0 40 FEAB Cc1cc(C(=O)NCCc2ccc3c(c2)OCCO3)c2c(C)nn(C)c2n1 14815153 BOFMVNZCENJHPE-UHFFFAOYSA-N 366.421 2.329 0 40 FEAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)c3ccccc3F)[C@@H]2CN1 2037984975 UCPGQEOGZFZGSF-SZVBFZGTSA-N 372.371 2.088 0 40 FEAB O=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(C2CCOCC2)C1 1565520072 CCRCYQBQWBPOSK-OAHLLOKOSA-N 367.287 2.361 0 40 FEAB COc1ccc(C(=O)NCCS(=O)(=O)N[C@@H](C)c2ccccc2)cc1 4940980 FZNCYIOPKWSCMG-AWEZNQCLSA-N 362.451 2.106 0 40 FEAB O=C(COc1ccccc1)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055738849 VQNROMLIPSKPCY-OAHLLOKOSA-N 355.438 2.323 0 40 FEAB CCOC(=O)[C@@](NCc1ccc(OC)cc1)(NC(=O)CC)C(F)(F)F 19939225 SRUJCLNXOUODBH-OAHLLOKOSA-N 362.348 2.133 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCc2nc3ncccc3cc2C1 1890866138 CBRRXDXJRXSFNG-UHFFFAOYSA-N 367.430 2.312 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)n1cccn1 575614432 SNYAFPAKZHBXSV-CYBMUJFWSA-N 352.441 2.117 0 40 FEAB Cc1cc(N2CCC(NC(=O)c3cncc(Br)c3)CC2)n[nH]1 225752004 CKDRREIKYSNGKI-UHFFFAOYSA-N 364.247 2.274 0 40 FEAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccccc1F 8070154 IFNMGFKMYWNXIH-UHFFFAOYSA-N 367.174 2.456 0 40 FEAB Cc1ccc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1 40117046 PDZYXMDNGIEGCY-UHFFFAOYSA-N 351.362 2.115 0 40 FEAB CCN(CC)C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 50275435 PQOYLMKVTBMNPM-UHFFFAOYSA-N 358.408 2.481 0 40 FEAB CS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1Cl 15911823 GRCUIWQUCRUBGP-UHFFFAOYSA-N 364.810 2.342 0 40 FEAB O=C(NC1CCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4092978 SYKXCQKXYGYHEK-INIZCTEOSA-N 371.466 2.338 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccccc1Br 41003237 LYRNXHASWLLEOQ-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(C)s1 6680117 WZAWPURHPYPLAC-UHFFFAOYSA-N 368.480 2.293 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCOc4ccccc43)nc2c1 32825383 GOOAUZHZPOIDQF-UHFFFAOYSA-N 351.362 2.109 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)NCCO[C@H]2CCCC[C@H]2C)n1 53115265 XNRPWOZERRMSPU-WBVHZDCISA-N 357.458 2.360 0 40 FEAB COc1ccc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)cc1OC 47148629 BUNBOUBFBPJDQW-AWEZNQCLSA-N 371.441 2.087 0 40 FEAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3nc[nH]n3)cc2)c1 23142413 FWRDKSJKZPYYPN-UHFFFAOYSA-N 367.365 2.083 0 40 FEAB COc1ccc(COC[C@@H](O)Cn2c(NCCO)nc3ccccc32)cc1 12548357 GKNQZXCSEKBUSS-INIZCTEOSA-N 371.437 2.027 0 40 FEAB CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)S(=O)(=O)c1ccccc1 106901190 CZHLKJRVOPJLMC-NVXWUHKLSA-N 350.484 2.488 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1NC(C)=O 43777788 YONVTDLGHRGQAY-ZDUSSCGKSA-N 371.393 2.234 0 40 FEAB O=c1cc(CN2CCN(c3nc4ccccc4o3)CC2)nc2sccn12 26082875 QNQJBEWXKWQBNB-UHFFFAOYSA-N 367.434 2.219 0 40 FEAB CCc1ccc(-n2nc(C(=O)N3CCCC[C@H]3C(N)=O)c3c2CCC3)cc1 107760667 OBKUCXBUIAKKBE-SFHVURJKSA-N 366.465 2.403 0 40 FEAB C[C@@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 20111261 VIVCWDQYWKMIAH-LLVKDONJSA-N 367.357 2.484 0 40 FEAB biogenic COc1ccc(CN(C)C(=O)NCc2cccnc2N2CCOCC2)cc1 26386770 USJAVCBJUQEVTO-UHFFFAOYSA-N 370.453 2.268 0 40 FEAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7848547 DGJXGZGDLJIDLY-ZDUSSCGKSA-N 366.421 2.351 0 40 FEAB COC(=O)CNC(=O)CSc1nnc(Nc2c(C)cccc2C)s1 3374031 DFELGLGLEGGHFE-UHFFFAOYSA-N 366.468 2.280 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)o3)C2=O)cc1 58180634 AOOYJJDEWIFLKZ-GOSISDBHSA-N 357.366 2.002 0 40 FEAB COC(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 44892760 LUDRAPZRVFIVSM-UHFFFAOYSA-N 357.414 2.439 0 40 FEAB COCCn1cc(NC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)cn1 58215337 QWYPVLGDBVILTJ-UHFFFAOYSA-N 360.414 2.358 0 40 FEAB COc1cc(-c2noc(CCC(=O)NCC(C)C)n2)cc(OC)c1OC 2194450 HZDIEPCAEQJKHS-UHFFFAOYSA-N 363.414 2.467 0 40 FEAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(C2CC2)CC1 48374424 XDPGDMOBUHWBEI-LJQANCHMSA-N 357.498 2.446 0 40 FEAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1OCC(N)=O 8112687 KVABEBQJWDLTBK-UHFFFAOYSA-N 358.394 2.437 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 8261953 CSHMDBMQIVFXHH-QGZVFWFLSA-N 372.465 2.404 0 40 FEAB CN(CCOc1ccc(Cl)cc1)Cn1nc2n(c1=O)CCCCC2 29028878 RDUPSUZDMGSCAM-UHFFFAOYSA-N 350.850 2.393 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592934 ZHLKGWXHGCRPRT-PEZLKRJXSA-N 368.433 2.131 0 40 FEAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCc2ccccc21 5534652 RLOFEYQFVIZBNP-CYBMUJFWSA-N 373.430 2.225 0 40 FEAB O=C(c1cscn1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 78483044 CVRXBJCAEXBYOM-MRXNPFEDSA-N 371.510 2.213 0 40 FEAB O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2F)C1 67386185 GDXCNHFBYVJMFB-MAUKXSAKSA-N 366.433 2.494 0 40 FEAB C[C@H]1CN(CCCCNCc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 67452541 LMUDIUAZJNXEKH-CALCHBBNSA-N 357.502 2.461 0 40 FEAB COc1cccc2c1ccn2CCNC(=O)c1cccc(-n2cnnn2)c1 80330582 DSIKUVIRKODGRO-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc3cccnc23)c1=O 8769150 FVSDEXHEKPYAMI-UHFFFAOYSA-N 374.400 2.370 0 40 FEAB CC(C)(C)OC(=O)NCC1(C(=O)NC[C@]2(O)CCSC2)CCCC1 79093266 JQQGNNWEEINKNI-QGZVFWFLSA-N 358.504 2.056 0 40 FEAB C[S@@](=O)CCCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 72290455 IGTXENWSPLMAEI-QHCPKHFHSA-N 372.512 2.293 0 40 FEAB O=C(CN1CCN(Cc2nccn2C(F)F)CC1)Nc1ccc(F)cc1 84405660 APBBBEBJNCYUIS-UHFFFAOYSA-N 367.375 2.174 0 40 FEAB C[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)CN1CCCC1=O 84638373 DDCHLIPERPXTQN-ZIAGYGMSSA-N 372.469 2.190 0 40 FEAB CC(C)CN1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O 29753130 VXLCFFVQKSDGDN-GOSISDBHSA-N 357.498 2.272 0 40 FEAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1)C1CCCC1 67896853 NJSMJQGMMAUEBA-UYAOXDASSA-N 372.465 2.486 0 40 FEAB biogenic,in-vitro CN1C(=O)C(=O)N2c3ccc(Cl)cc3[C@@]3(c4ccccc4)N=C[C@@]12O3 31759998 ARVGAFIPEMEJTK-MSOLQXFVSA-N 353.765 2.115 0 40 FEAB Cc1cc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)ncc1C(N)=O 514993153 BMMVJXJFLUGSEX-UHFFFAOYSA-N 350.422 2.427 0 40 FEAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 2132450 MFLKMPDOTUQELR-WBVHZDCISA-N 350.418 2.457 0 40 FEAB biogenic CC(C)C[C@H](C(=O)NC[C@H](C)N1CCCC1)N1C(=O)c2ccccc2C1=O 36077156 YHFHRBUKZNXSFQ-MAUKXSAKSA-N 371.481 2.298 0 40 FEAB COC(=O)c1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)o1 35598325 KURBMTISXZTJOW-UHFFFAOYSA-N 354.410 2.260 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980387 MZDYOCIGVIIIAU-HNNXBMFYSA-N 368.380 2.093 0 40 FEAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)c1 35425127 ZNYSBCMKGDZSIT-HNNXBMFYSA-N 370.413 2.217 0 40 FEAB biogenic,in-vitro CSCC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 75157531 UQFSVLUZUNFIAQ-BEFAXECRSA-N 364.511 2.277 0 40 FEAB COc1ccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 223646302 WCGAGMHILAUKDE-UHFFFAOYSA-N 352.456 2.078 0 40 FEAB O=c1[nH]c2cc(F)ccc2cc1CCNS(=O)(=O)c1ccc(F)cc1 49597384 NUASTCRQZIPOLB-UHFFFAOYSA-N 364.373 2.327 0 40 FEAB Cc1ccc(C(=O)NCCCOC(C)C)cc1N1CCCCS1(=O)=O 224396528 AALLBMKUABQAOE-UHFFFAOYSA-N 368.499 2.470 0 40 FEAB CC(C)CC(=O)N1CCC(NC(=O)N2CC(=O)Nc3ccccc3C2)CC1 582368880 UIWYVBQEXWCVRT-UHFFFAOYSA-N 372.469 2.187 0 40 FEAB O=c1[nH]c2nc(NCc3cccs3)ncc2c(=O)n1-c1ccccc1F 90591697 WVXAARBJHMGLDE-UHFFFAOYSA-N 369.381 2.282 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 248180337 YDUUOEDIJZCELO-RDJZCZTQSA-N 354.447 2.462 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3F)CC2)n1 253537280 JGUOJCYLGQBLQN-CYBMUJFWSA-N 374.416 2.182 0 40 FEAB Cc1nccc(C(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)N2C)n1 257215512 CQMAHMTVZJIAFG-QOJCHSLYSA-N 360.502 2.261 0 40 FEAB C[C@]1(NC(=O)c2ccnc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1 257245706 IQRKGADEIHKYKY-SFHVURJKSA-N 362.426 2.119 0 40 FEAB Cc1nc(C(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)co1 257252033 JTHLDQALVFDYDR-ZVZYQTTQSA-N 370.409 2.020 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)cn1 257223713 DYPJXPNSMYITHI-HNNXBMFYSA-N 354.458 2.126 0 40 FEAB CCN1C(=O)CO[C@H](c2nc(-c3ncccn3)no2)[C@H]1c1ccccc1 350399483 MSZJDJUQBWHMFD-CABCVRRESA-N 351.366 2.188 0 40 FEAB CCc1nc(CN2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)no1 270600576 WFHKEKZDDSKANQ-QGZVFWFLSA-N 370.453 2.094 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 97531476 COXVVTURZVPJIO-AWEZNQCLSA-N 355.398 2.156 0 40 FEAB biogenic O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cncn1 602308475 PBUQYGMNWWAJID-CRAIPNDOSA-N 372.448 2.118 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)cc1 390826533 AFIIDDJUQKITMV-INIZCTEOSA-N 363.439 2.456 0 40 FEAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N(C)Cc1cn(C)nn1 664426415 URNCBZDJEOAWCJ-UHFFFAOYSA-N 367.457 2.466 0 40 FEAB COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)oc12 585267156 BFDCXNDHCFOBOP-LALPHHSUSA-N 353.802 2.489 0 40 FEAB CO[C@H](C)c1cccc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1 585088641 SJBPETQMYYXQLH-KUHUBIRLSA-N 363.458 2.231 0 40 FEAB O=C(NC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21)N1CCCC1 585112729 UPCMCLHLYCJVGX-GOSISDBHSA-N 357.433 2.385 0 40 FEAB C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)[C@@H]1CCCS1 585098383 XHXQKRKQEWYLBL-OCCSQVGLSA-N 359.455 2.051 0 40 FEAB CN(C)c1cccc(S(=O)(=O)N[C@@H](CC(=O)O)c2cccs2)c1 670324769 CGUWUSIUUJKNHB-ZDUSSCGKSA-N 354.453 2.308 0 40 FEAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)N1CCC(O)CC1 13266269 FJTXYSICPXYONP-UHFFFAOYSA-N 373.478 2.244 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 15501351 HFBOQPDMNNKUER-UHFFFAOYSA-N 360.435 2.196 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19121816 KQRQOTQMJIHZHL-AWEZNQCLSA-N 359.430 2.206 0 40 FEAB CC(=O)Nc1c(C(=O)NCCc2c(C)nn(C)c2C)[nH]c2ccccc12 19717797 QWIJZTWTRMWCGJ-UHFFFAOYSA-N 353.426 2.449 0 40 FEAB Cc1ccccc1OCCCNC(=O)c1nc2ccccc2n(C)c1=O 19718484 WGYFDHULPJPGOY-UHFFFAOYSA-N 351.406 2.441 0 40 FEAB CCOc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1OCC 11695618 GVRNNKVKYISIPA-UHFFFAOYSA-N 358.442 2.180 0 40 FEAB COc1cccc(COC(=O)c2ccc(S(C)(=O)=O)cc2)c1OC 24757454 BOWSLHJAPGMPAQ-UHFFFAOYSA-N 350.392 2.464 0 40 FEAB O=C(Cn1cnc2ccccc21)NCc1nnc2c(C(F)(F)F)cccn12 245171735 XSQQRKDLSIQVPS-UHFFFAOYSA-N 374.326 2.414 0 40 FEAB Cc1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)on1 2037984648 IFNAURKZOZYFPK-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB Cc1nc(CN2CC[C@@H]3CN(C(=O)c4cn(C)cn4)C[C@@H]3CC2)cs1 2056223662 YYMGONLXVNOMQV-GASCZTMLSA-N 359.499 2.169 0 40 FEAB COc1ccc(C(=O)N2CCC(Cn3nc(C)ccc3=O)CC2)c(OC)c1 1565522341 GENAYUVIWJVNET-UHFFFAOYSA-N 371.437 2.121 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 1565553329 ULLVEFOZGYQNJV-BWTSREIZSA-N 355.482 2.179 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)cn23)n(C)c1=O 4370336 OXVJPVOXVIUMSB-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2F)CN1c1ccc(F)cc1 9036431 AOMXDWNLDQVAFA-LBPRGKRZSA-N 366.389 2.296 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)cc1C 23143639 CVQJBBCBGTYPCN-UHFFFAOYSA-N 365.407 2.090 0 40 FEAB O=C1[C@H]2CN(c3cc(C4CCC4)ncn3)C[C@@H]2C(=O)N1Cc1ccccc1 2086889210 QBGQLEIMZJJDGW-IRXDYDNUSA-N 362.433 2.366 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@@H](CN(C)C)CO2 72395245 QCKSAKOZTZDKTA-ICSRJNTNSA-N 353.466 2.346 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCOc1ccccc1OC 31358257 WQRKQBMVOLGQHV-UHFFFAOYSA-N 363.435 2.298 0 40 FEAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC[C@H]1C 17300171 RJYPPGFMONBIKP-CYBMUJFWSA-N 354.472 2.397 0 40 FEAB CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 810932 OCUXUGAMBVVLFJ-UHFFFAOYSA-N 368.474 2.485 0 40 FEAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2377485 ARIRVMSWRDGEGN-JTIRBEDWSA-N 371.433 2.491 0 40 FEAB COC(=O)c1cccc(OCCN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 60086073 GUYLRJBSDGZFDJ-HXUWFJFHSA-N 368.389 2.319 0 40 FEAB COc1cccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)nc2CO)c1 21149059 ZEWMVXLZEIPVGK-UHFFFAOYSA-N 372.812 2.352 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)[C@@H](C)Oc2ccccc2)cc1 7681226 BNCYHGPANBAQNL-OAHLLOKOSA-N 357.406 2.365 0 40 FEAB O=C(Nc1ncccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 10434397 LPUYJDOXBVTDSW-UHFFFAOYSA-N 360.439 2.294 0 40 FEAB O=C(NC1CCN(c2ccccn2)CC1)C1CCN(CC(F)(F)F)CC1 53188598 XADXGRVINAHUKS-UHFFFAOYSA-N 370.419 2.441 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCc1ccccc1N1CCC[C@@H](C)C1 54993635 FUWCJXVTSVJPGX-CQSZACIVSA-N 362.499 2.443 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 810372 OJKLVKACUJUKNJ-INIZCTEOSA-N 371.345 2.038 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 23190470 MMWAXZFSOQLHIA-MRXNPFEDSA-N 359.470 2.356 0 40 FEAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(F)c1 24014175 POXMPPVACYVGSO-GOSISDBHSA-N 364.442 2.178 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCCCCC1 43397781 GFTPPOOMNMXRSJ-UHFFFAOYSA-N 355.460 2.353 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)cc1Cl 104346084 XGPCZWCBLGOJBY-HNNXBMFYSA-N 364.829 2.119 0 40 FEAB Cc1nc(C)c([C@@H](C)NC(=O)CCNS(=O)(=O)c2ccccc2)s1 56020644 FLAMODQJKMLCEK-GFCCVEGCSA-N 367.496 2.306 0 40 FEAB O=C1CCCN1C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccccc1 56076072 JWGDWQMHGBZTDH-MRXNPFEDSA-N 362.426 2.468 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 102633605 XKHWJGLNAIBAQI-MISXLKTNSA-N 358.785 2.382 0 40 FEAB Cc1cccc(OCCNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 44246552 BRKDXPQNMVMDNE-UHFFFAOYSA-N 352.398 2.480 0 40 FEAB COc1ccc([C@H]2CCCN2CCn2nc3ccccn3c2=O)c(OC)c1 26908139 FPLNSUPZDMZYQV-QGZVFWFLSA-N 368.437 2.350 0 40 FEAB CN(C)C(=O)COc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1 24625778 NYGPPARDVDOAKU-UHFFFAOYSA-N 374.441 2.405 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(CNC(C)=O)s1 12544792 FKYMUUAYWHKLIH-UHFFFAOYSA-N 374.465 2.033 0 40 FEAB NC(=O)COc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 12599025 LXHAMAMMYYHOIZ-UHFFFAOYSA-N 354.391 2.322 0 40 FEAB CN(Cc1ccccc1N1CCCCC1)c1ccc(S(N)(=O)=O)cn1 12551637 XUFYQWYLJLISMY-UHFFFAOYSA-N 360.483 2.356 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1F 3368066 FIVIZBNEOPTCIB-NSHDSACASA-N 355.362 2.375 0 40 FEAB Cc1ccc(NC(=O)COc2ccccc2C(=O)NCCN(C)C)cc1 3438623 FZIYKFPASKQQPB-UHFFFAOYSA-N 355.438 2.304 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 3553792 UFSOEOYNUHTRTC-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)O)S3)n1 13013825 LCADZEIPAVWYOX-CYBMUJFWSA-N 368.422 2.282 0 40 FEAB COC(=O)Cn1cnc2c(-c3ccc(OC)c(OC)c3)csc2c1=O 64999205 UBFHSHDIVDQZKZ-UHFFFAOYSA-N 360.391 2.315 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1 6230719 APFIYXPCQRSCQV-UHFFFAOYSA-N 366.483 2.301 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C 6346596 KOPHBOYWMPTHCY-UHFFFAOYSA-N 361.467 2.351 0 40 FEAB C[C@H]1CCc2ccccc2N1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 14092811 RHKDHQSTEMLKOD-LIRRHRJNSA-N 365.433 2.107 0 40 FEAB COc1cccc(OC)c1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 14227476 FGZIXWRHRPCZBV-UHFFFAOYSA-N 358.394 2.423 0 40 FEAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 5491928 FJYSASKEJNMWIW-UHFFFAOYSA-N 363.483 2.297 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 8706070 VAZNNFVGYUSPBC-UHFFFAOYSA-N 356.407 2.132 0 40 FEAB Cc1cc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 5582314 BPPPQJPNPGPHEW-ZDUSSCGKSA-N 364.492 2.247 0 40 FEAB CCCNC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)c2ccccc2O1 8748928 BZOICBMIIABIIE-QGZVFWFLSA-N 357.410 2.154 0 40 FEAB Cc1ccc(-n2cnnc2SCC(=O)N2CCOCC2)cc1Cl 8710701 WCBAIHVFZSMOOX-UHFFFAOYSA-N 352.847 2.180 0 40 FEAB CC1CCN(C(=O)Cn2nnc(-c3cccc(C(=O)OC(C)C)c3)n2)CC1 18664642 JKFKFUFPYPUVGJ-UHFFFAOYSA-N 371.441 2.164 0 40 FEAB O=C(CNC(=O)c1ccccc1F)Nc1cccc(N2CCCC2=O)c1 6987739 RTGPARHWCXYLBY-UHFFFAOYSA-N 355.369 2.321 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCOc2ccccc21 7312729 BVMIDKKDMWDVHW-HNNXBMFYSA-N 371.437 2.271 0 40 FEAB COc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1OCC(N)=O 7830745 IBWMVFHPVCAGLX-LLVKDONJSA-N 360.435 2.380 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 28332892 WJVNFEMSUCFEIJ-UHFFFAOYSA-N 352.387 2.141 0 40 FEAB CC[C@@]1(C)CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 75999133 ZEISZECYWXWISW-KRWDZBQOSA-N 363.487 2.078 0 40 FEAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408590371 GJWDUOUJYNUQAF-YJBOKZPZSA-N 360.479 2.491 0 40 FEAB Cc1cc(CN[C@H]2CCCN(c3cccnc3)C2=O)ccc1-n1cncn1 97106933 JEFDTTTWGKIYAU-SFHVURJKSA-N 362.437 2.256 0 40 FEAB O=C(Nc1cccc2c1CCCC2)C(=O)N[C@H]1c2ccccc2C[C@H]1O 84582109 RSOLUNXLCJWXGT-MOPGFXCFSA-N 350.418 2.278 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1ccc2ccccc2c1 84605804 ZQEBDVOXSROUAB-OALUTQOASA-N 372.490 2.221 0 40 FEAB C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)COC4)c2)NC(=O)NC1=O 84668195 MMBQQZGVVAULSX-IBGZPJMESA-N 351.362 2.024 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCC(=O)Nc4ccccc43)ccc2N1 95398723 NSTIGJGJUBVSHF-UHFFFAOYSA-N 371.418 2.109 0 40 FEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@H](O)C(=O)OC(C)(C)C)c1 95456546 FZCDXJYZJLRIJY-AAEUAGOBSA-N 357.834 2.235 0 40 FEAB Cc1nc(C)c(CS(=O)(=O)c2ccc(C(=O)N3CCCC3)cn2)s1 78793486 IXIICUZIZUCTPM-UHFFFAOYSA-N 365.480 2.365 0 40 FEAB CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410234 GKEULKRZYDLHRK-CYBMUJFWSA-N 355.398 2.123 0 40 FEAB COC(=O)c1cc(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)oc1C 79069515 PCIFLELVHCSTKX-MRXNPFEDSA-N 364.442 2.418 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2[C@H](CCOCc2cccnc2)C1 306122950 AAFVADYZBUAQOI-QGZVFWFLSA-N 367.409 2.379 0 40 FEAB CN1C[C@H](NC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CC1=O 518760964 UEUJWVZGYOCNBP-CYBMUJFWSA-N 362.499 2.142 0 40 FEAB O=C(Nc1ccccc1N1CCCC1=O)C1CCN(c2cnccn2)CC1 79121056 HTBMGCQAJYOFBK-UHFFFAOYSA-N 365.437 2.459 0 40 FEAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO 72321151 QMYOUFSGHSMJLM-IEBWSBKVSA-N 360.454 2.342 0 40 FEAB biogenic,in-vitro CCn1nc2n(CC(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 72347018 OOAXSJDKWOOTIH-KBPBESRZSA-N 355.442 2.166 0 40 FEAB Cc1nnc(-c2ccc(C(=O)N(C)CCN3CCOC(C)(C)C3)cc2)o1 519623992 PDNBYQFOLFRHOS-UHFFFAOYSA-N 358.442 2.228 0 40 FEAB COC(=O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1 45958602 GUTHRVAQMAEHNF-LLVKDONJSA-N 372.343 2.068 0 40 FEAB CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccccc1 226054028 DUIZEKBQVSXDEL-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB COCCC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 96159991 VXJRLOAMJSDCRP-WMLDXEAASA-N 354.472 2.094 0 40 FEAB CC1(C)C[C@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CCO1 97531427 PYKWQTVARNTDKH-DOMZBBRYSA-N 359.426 2.241 0 40 FEAB biogenic O=C(NCC1CC1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96240806 CZOHQZGBAUFCPU-KRWDZBQOSA-N 360.429 2.221 0 40 FEAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cnccn1)CC2 247880750 QBUSSJUSKBWNSO-INIZCTEOSA-N 370.453 2.070 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2ccnc(-c3cccc(C(=O)O)c3)c2)C1 257260776 LEHMCDATOMQUBB-AWEZNQCLSA-N 360.435 2.271 0 40 FEAB Fc1ccccc1OCCc1cc([C@H]2CN(Cc3ncc[nH]3)CCO2)n[nH]1 257343707 ZUCOBRXMHXLCHM-GOSISDBHSA-N 371.416 2.467 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2cccnc2-c2ccc(C(=O)O)cc2)C1 257280328 OKKSIJHLKUCWKL-CYBMUJFWSA-N 360.435 2.271 0 40 FEAB COc1c2c(c(CNC(=O)C3CCCCC3)c3c1C(=O)N(C)CC3)OCO2 604404740 RKDPEVPORUYUAF-UHFFFAOYSA-N 374.437 2.249 0 40 FEAB biogenic Cc1nnc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)n1C 639977030 JOMWBDPNLRGSJK-UHFFFAOYSA-N 369.391 2.387 0 40 FEAB CN1CC[C@](N)(c2nc(-c3ccc(OCc4cccnc4)cc3)no2)C1 643935970 RCCZCBJHDIXUSJ-LJQANCHMSA-N 351.410 2.200 0 40 FEAB Cn1cnc(S(=O)(=O)N(Cc2cccs2)Cc2cccn2C)c1 96025730 OFJZWNYCMZMQQQ-UHFFFAOYSA-N 350.469 2.211 0 40 FEAB COc1ncc(C(=O)N2CCC[C@H](OC)[C@@H]2Cc2ccccc2F)cn1 585276131 KCSZMWNDUUJOTC-IRXDYDNUSA-N 359.401 2.487 0 40 FEAB O=C(Cn1c2c(c3cc(F)ccc31)CCCC2)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 585267281 SBRUMYFPZAYFFV-OZOXKJRCSA-N 374.456 2.440 0 40 FEAB COc1cccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3F)C2)c1 585278370 SKVBWOJZWDPDKN-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB COc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)c(OC)c1 85468162 IHQYOSYMKLJNLG-UHFFFAOYSA-N 363.439 2.098 0 40 FEAB COc1cccc(C(Nc2nc(N)nc(N)n2)c2cccc(OC)c2)c1 1612067197 NIFQSRCVCZJCDU-UHFFFAOYSA-N 352.398 2.255 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccc(O)nc3)CC2)Nc2ccccc21 12086162 RXELRNYGZNWQSD-UHFFFAOYSA-N 366.421 2.241 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3)cn1 12146344 IBASYXOSPQLWSK-UHFFFAOYSA-N 371.828 2.226 0 40 FEAB Cc1ccc(C(=O)N2CCc3nc4scc(C)c4c(=O)n3CC2)cn1 12253328 IFPOSSVMEZOYCT-UHFFFAOYSA-N 354.435 2.168 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2nn(C)c(=O)c3ccccc23)nc1C 13140855 AXWKTLZWUGGCCQ-UHFFFAOYSA-N 372.406 2.127 0 40 FEAB C[C@@H](CC(=O)N1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)n1ccnc1 19455273 UFXHMFGXZVQPKL-YWZLYKJASA-N 368.437 2.018 0 40 FEAB O=C(CC[C@H]1CCC(=O)N1)Nc1ccc(N2CCCCC2)c2nonc12 19660216 VLVBXCKEOYYJOD-GFCCVEGCSA-N 357.414 2.210 0 40 FEAB CN1CCCc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc21 19715412 DBFKQZRSZBOXBF-UHFFFAOYSA-N 354.435 2.479 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1 19715922 PUEVNZQBXBHOBM-CQSZACIVSA-N 373.482 2.482 0 40 FEAB COc1ccc2c(C)cc(N3CCO[C@H](C(=O)N4CCCC4)C3)nc2c1 1889139419 OVOGCZNXCVJYGC-SFHVURJKSA-N 355.438 2.379 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889191566 QBNXXQUYTULNOJ-WBVHZDCISA-N 361.442 2.261 0 40 FEAB CC(C)n1nccc1-c1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ncn1 1848355361 USHGHHDSEGJNPH-AWEZNQCLSA-N 363.487 2.135 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cn1 2037908909 FXQKALKSKIAINO-LJQANCHMSA-N 359.401 2.360 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988785 ICTKZLYHOPUYQD-UHFFFAOYSA-N 364.392 2.456 0 40 FEAB COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccccc2)C3)ccc1O 4751854 ZSZONMPLOHEJMU-SFHVURJKSA-N 365.389 2.398 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 9664147 CDOVAABMZSERAT-SNVBAGLBSA-N 357.482 2.387 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cc1F 2055734563 JRYGZRIFSDEKCS-OAHLLOKOSA-N 373.428 2.242 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)cc1C 49403934 ALGXFHFCAMZMMO-UHFFFAOYSA-N 370.434 2.210 0 40 FEAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc4nccnc4c3)CC2)n1 585503569 SKZBWFLXJRRZHB-UHFFFAOYSA-N 363.421 2.047 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnnn2-c2ccc(O)cc2)[C@@H]1C 7682441 WDANTCDLUUAIHW-JMSVASOKSA-N 361.471 2.401 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl 100050424 HSZNSVLYPJLCRF-QQXRRDQMSA-N 351.189 2.445 0 40 FEAB CC(C)CNC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 40286975 HVNGKERURULXME-UHFFFAOYSA-N 374.510 2.497 0 40 FEAB CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885926 BJLOPVKFECOISX-IIMDRIAPSA-N 355.434 2.354 0 40 FEAB aggregator CC[C@H](OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1 11352783 MQUWMNCXTOXYAU-FZMZJTMJSA-N 362.357 2.498 0 40 FEAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)c1ccc(F)cc1 101686648 PPNBHTPANJSLLH-RCBQFDQVSA-N 373.380 2.281 0 40 FEAB O=C(NCCc1nnc2ccccn12)C1(c2ccccc2)CCOCC1 32763838 UYVKOOAVYBPQHA-UHFFFAOYSA-N 350.422 2.136 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1 2628849 MGYUSMNCONULKR-UHFFFAOYSA-N 351.366 2.058 0 40 FEAB O=C(NCc1cccnc1)c1sccc1S(=O)(=O)N1CCCCC1 29899398 KEPHZBUSRXNCNV-UHFFFAOYSA-N 365.480 2.248 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8536538 GNWNKXIBIXRGNX-YUNKPMOVSA-N 369.421 2.255 0 40 FEAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)c1ccc(F)cc1 101686654 PPNBHTPANJSLLH-KCXAZCMYSA-N 373.380 2.281 0 40 FEAB O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCC[C@H](O)C1 102914226 WECKCZFREZCCMC-AWEZNQCLSA-N 356.344 2.429 0 40 FEAB COc1ccc(OC)c(NC(=O)CCn2ncc(=O)c3ccccc32)c1 52931980 DRFCHXQLYAQDKX-UHFFFAOYSA-N 353.378 2.443 0 40 FEAB CCOc1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1OC 2703210 VRGRUFYRJVBGCX-XNTDXEJSSA-N 369.402 2.366 0 40 FEAB CCOC(=O)c1ccc([C@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533751 UNTPSIYMJGNBAD-INIZCTEOSA-N 374.238 2.468 0 40 FEAB O=C(c1ccno1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108527867 SEDPAEGGYVDARH-UHFFFAOYSA-N 354.410 2.115 0 40 FEAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 53758477 JXFNHKNXILWXEN-LLVKDONJSA-N 353.382 2.103 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc(C)c1 100396267 SRQKXODYLGHJSE-LHIBYTEYSA-N 350.418 2.359 0 40 FEAB Cc1ccccc1NC(=O)COc1ccccc1C(=O)N1CCOCC1 24438182 WIIVURAQJXSONT-UHFFFAOYSA-N 354.406 2.485 0 40 FEAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 29462053 AXBQEGTUAVFIKL-UHFFFAOYSA-N 362.407 2.107 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)c(C)c1 24978321 HOENMGNJSUJKQD-UHFFFAOYSA-N 374.871 2.405 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](Cc1ncc[nH]1)c1ccccc1 12549885 AFJAUWKPVYKXRP-QGZVFWFLSA-N 373.416 2.289 0 40 FEAB O=C(c1ccncc1)N1Cc2nc3cc(-c4ccccn4)nn3c(O)c2C1 100215679 GTKUYWREIOCACQ-UHFFFAOYSA-N 358.361 2.048 0 40 FEAB CC(=O)c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 12561312 MJXIWXYWJVMWEC-UHFFFAOYSA-N 362.437 2.187 0 40 FEAB CN(CC[C@@H]1CCCCN1C)CC(=O)NC[C@H](c1ccccc1)N(C)C 108395601 BWCRJRATABFZQV-VQTJNVASSA-N 360.546 2.212 0 40 FEAB CC(C)[C@H](C(=O)Nc1ccnc2ccnn12)S(=O)(=O)C1CCCCC1 108718688 NAFLWRCUBJWRMO-MRXNPFEDSA-N 364.471 2.440 0 40 FEAB C[C@@]1(NC(=O)COC(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 44516526 BRUBCLLFHJHNJY-HXUWFJFHSA-N 373.474 2.486 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C(N)=O)ccc2F)CC1=O 44630640 IQHULNZYAPXQPG-CQSZACIVSA-N 369.396 2.479 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(OCC2CC2)nc1 58183684 IDQACFYVOASATH-UHFFFAOYSA-N 367.405 2.485 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)Cc2cnn(C)c2)cc1OCC 58201521 KHCOYAIYSXOZPZ-UHFFFAOYSA-N 367.471 2.428 0 40 FEAB O=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1ccc(F)cc1F 36365889 AMHZQOIZKUJBKD-UHFFFAOYSA-N 350.325 2.201 0 40 FEAB CCOC(=O)c1sc(NC(=O)CCC(=O)O)c(C(=O)OCC)c1C 2314770 XNHIOWWGHQRXRC-UHFFFAOYSA-N 357.384 2.213 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(SC)cc2)c2ccccc2O1 12641646 WQILSNKLJMBXOW-QGZVFWFLSA-N 371.462 2.361 0 40 FEAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC 3354791 UERQNHDFBLHEPQ-UHFFFAOYSA-N 371.437 2.263 0 40 FEAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)NC(C)(C)C 8395753 WVBRRTFBXMILTL-UHFFFAOYSA-N 369.468 2.481 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl 12883324 QUDRWDUMRBEUNM-UHFFFAOYSA-N 374.846 2.197 0 40 FEAB O=C(O)c1ccccc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 12937122 QMJFOXPBJWEMBT-UHFFFAOYSA-N 374.418 2.055 0 40 FEAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 12937847 MHCLDLOKDFYETL-ONGXEEELSA-N 368.850 2.020 0 40 FEAB Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1-c1ccccc1 6109224 ZIYWDIKHAJVFLJ-UHFFFAOYSA-N 373.463 2.467 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 39980512 RMLDUGFLFJVZGE-MRXNPFEDSA-N 350.465 2.426 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NCCO)cc1 5277929 NSGWEIGVNXGFRU-AWEZNQCLSA-N 370.405 2.477 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 4436583 QADOSVKHCQXDRE-UHFFFAOYSA-N 368.480 2.244 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2=O)c2cccnc12 65575528 RHIORAFIHCTKGN-CYBMUJFWSA-N 361.467 2.080 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)NCCCO)c(Cl)cc12 5301954 ZCTQWKSVTCVZFF-UHFFFAOYSA-N 353.802 2.276 0 40 FEAB COc1cccc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12 6679500 LUCWHOSVEZMKHT-UHFFFAOYSA-N 365.389 2.159 0 40 FEAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccccc3)c(C)nn12 6756797 HPEZBBPNYIZKEG-UHFFFAOYSA-N 368.393 2.382 0 40 FEAB CCn1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001891 UIZQUWGJZIORNZ-OAHLLOKOSA-N 369.429 2.444 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1C 9667963 XJIUKIWAHXRJEI-HNNXBMFYSA-N 368.499 2.463 0 40 FEAB COc1ccc(C(=O)NC(=S)NCc2ccc(C(=O)O)cc2)cc1OC 20153445 ZZZKRUVFJVDSJV-UHFFFAOYSA-N 374.418 2.207 0 40 FEAB CN1CCN(CC(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)CC1 79495595 GURGJDKUOPZYLP-UHFFFAOYSA-N 367.409 2.010 0 40 FEAB O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1 95436043 TTWDJMSNJAYDIS-HOCLYGCPSA-N 355.843 2.103 0 40 FEAB COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 22276497 IDKDVACWINXQPX-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB O=C(CN1C(=O)N/C(=C/c2ccccc2F)C1=O)Nc1ccccc1F 409208792 ADIWUFBJMREYEX-OQLLNIDSSA-N 357.316 2.496 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCC(C)CC2)cc1 38772975 CSSRNBXVQUQQQJ-UHFFFAOYSA-N 368.499 2.015 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(O)c1ccccc12 67240251 RUXLQJDPKMMMBT-UHFFFAOYSA-N 360.782 2.469 0 40 FEAB COc1ccc([C@@]2(Cc3ccc(Br)cc3)NC(N)=NC2=O)cc1 71974472 ISJJCLDEQLWPKJ-QGZVFWFLSA-N 374.238 2.340 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 39585220 VWSCVULEUBYXOB-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(F)cc1 224165171 RCSNUCUFXNIQSY-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C)C(=O)Nc2nc3ccccc3[nH]2)c1 44168906 OLZFVTYBUGVHAR-LLVKDONJSA-N 368.393 2.337 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1F 44880082 MJJYILHUBGVDPU-UHFFFAOYSA-N 351.403 2.077 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2COCc3nc4ccccc4n32)cc1 96112452 DVBCNGRJBIALSA-ZDUSSCGKSA-N 373.434 2.095 0 40 FEAB biogenic,in-vitro COCCN1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@]2(c2ccccc2)C1 96083263 HSYMUKXLXUKNHH-WIYYLYMNSA-N 353.466 2.377 0 40 FEAB Cc1occc1C(=O)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96229162 PROMPDFAQPNXMH-IBGZPJMESA-N 356.426 2.137 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCn4nccc4C3)cc2)co1 253471894 GLJSLFCMCDJICQ-CQSZACIVSA-N 358.423 2.140 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257255408 KHISCJHZGQXDBJ-OAHLLOKOSA-N 358.423 2.351 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257315254 VANXPOWTDOHQOT-ZDUSSCGKSA-N 359.430 2.176 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 257253860 KANXGVAAOFYPFP-ZDUSSCGKSA-N 351.410 2.050 0 40 FEAB NN1C2=NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)CN2c2ccccc21 618256805 LZMZDJNPAZFUDN-NSHDSACASA-N 369.812 2.381 0 40 FEAB O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@H]([C@@H]2CCCNC2)C1 647306651 CUHJMJKBHHJHFH-MJGOQNOKSA-N 363.527 2.001 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2cnn(C(C)C)c2)Cc2cccn2C1 585099090 KJDFZWCLDJGICY-QGZVFWFLSA-N 373.501 2.050 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095708 DZQHKCXWIHABCD-VHDGCEQUSA-N 366.412 2.070 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC(=O)O)cc1 2090752 WMMKYCRYHFISTQ-LGMDPLHJSA-N 368.389 2.057 0 40 FEAB Cn1c(=O)n(CC(=O)N2CCC[C@H](c3ccccc3)C2)c2cccnc21 12117482 GFOVZZLLYUJDMG-INIZCTEOSA-N 350.422 2.141 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)c2nccnc21 12365141 ZTVPNALSJDKPFU-CYBMUJFWSA-N 369.400 2.287 0 40 FEAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12676710 RGVNYLIKRRJNIM-ACJLOTCBSA-N 373.478 2.402 0 40 FEAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccc(F)cc1 14000996 JSXMOFVNPHNRLY-UHFFFAOYSA-N 350.353 2.333 0 40 FEAB COCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 15867677 MZNCDOHKEMAOHV-UHFFFAOYSA-N 367.471 2.036 0 40 FEAB CCn1c(=O)n(CC)c2cc(C(=O)NCCCn3ccnc3C)ccc21 19524237 OSRXBBJZYZZNBW-UHFFFAOYSA-N 355.442 2.168 0 40 FEAB CCn1ccc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)n1 19525139 JARUIFZPBBBPHP-UHFFFAOYSA-N 351.410 2.159 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)s1 19560415 PTUGRWNDFJBFDJ-LLVKDONJSA-N 350.419 2.197 0 40 FEAB COc1ccccc1NC(=O)NC1(C(=O)N2CCN(C)CC2)CCCCC1 19589698 RYAPNNBMMAOVRS-UHFFFAOYSA-N 374.485 2.294 0 40 FEAB CNC(=O)c1ccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1 19705964 WAUDOTQDHLXSED-INIZCTEOSA-N 359.470 2.233 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715439 OMTBZVDVFDKUIJ-GFCCVEGCSA-N 372.404 2.287 0 40 FEAB O=C(Nc1ccccn1)[C@@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19747800 QYJYNPYTTDYECL-GFCCVEGCSA-N 353.407 2.187 0 40 FEAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C(F)F)cc1 674691014 DBKYAQMHEYZETK-UHFFFAOYSA-N 358.410 2.311 0 40 FEAB Cc1nnc2c(N3CCN(c4nsc5ccccc45)CC3)nccn12 1888922037 ROAQDMCEANPLJV-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc1 22413955 CMWOYYRUIFFDFS-HNNXBMFYSA-N 363.414 2.321 0 40 FEAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Br 24839085 SZQSOOUQLIQMES-SECBINFHSA-N 363.277 2.276 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@H](COc3ccnc(C)c3)C2)CC1 1776000671 FBBCKTZCSBONMR-KRWDZBQOSA-N 359.470 2.266 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)c3cc(-c4ccco4)on3)CC2)n1 238860835 KPXNQESVDKDICB-UHFFFAOYSA-N 369.381 2.137 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565550679 FDBOKOPFNAIDEI-BBRMVZONSA-N 352.385 2.084 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4497711 DPPKPFMSDCYHND-MRXNPFEDSA-N 372.446 2.281 0 40 FEAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 8961584 RSTDTHZWXYGPRJ-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC=CCC1 1784753191 XUDYWNIRTLORLP-SFTDATJTSA-N 369.465 2.272 0 40 FEAB O=C(NCc1nc(-c2ccnc(O)c2)no1)c1ccc(C(F)(F)F)nc1 575615899 HFRDMVZISHSLNZ-UHFFFAOYSA-N 365.271 2.181 0 40 FEAB CN1CCc2cc([C@H](O)CNC(=O)Nc3ccc4c(c3)OCO4)ccc21 96363084 INIOQDWIJNXAMO-MRXNPFEDSA-N 355.394 2.263 0 40 FEAB COC(=O)/C=C1/C(=O)N=C(Nc2nc(C)cc(C)n2)N1c1cccc(C)c1 31892881 JJYMRUMQBMZJLQ-GDNBJRDFSA-N 365.393 2.273 0 40 FEAB Cc1nc2c(c(N3CCC(NC(=O)Cc4cccnc4)CC3)n1)CCCC2 225739452 QJRZWTQGAAWDLD-UHFFFAOYSA-N 365.481 2.387 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)NCc1ccnc(-n2cccn2)c1 40107443 HJFLRBOPUUOACY-UHFFFAOYSA-N 358.405 2.312 0 40 FEAB C[C@H](NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)N(C)C 40121222 PITUDSKJZDQCLR-AWEZNQCLSA-N 354.454 2.483 0 40 FEAB COC(=O)c1cc(NC(=O)c2ccccc2OC(C)=O)cc(C(=O)OC)c1 1057727 DMHVKAJHAKVJDF-UHFFFAOYSA-N 371.345 2.437 0 40 FEAB COc1ccc([C@H](CNc2c(NCc3ccco3)c(=O)c2=O)N(C)C)cc1 101696280 AQLZKPSQGKSODT-INIZCTEOSA-N 369.421 2.211 0 40 FEAB C[C@@H](NC(=O)CSC(=S)N1CCCC1)c1ccc2c(c1)CC(=O)N2 46224448 OFYZWENKQHFDMP-LLVKDONJSA-N 363.508 2.472 0 40 FEAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC(N)=O 3515726 HWTJEIPNPAKWIT-RXMQYKEDSA-N 366.009 2.174 0 40 FEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 32795991 KRXXOVFWKCEMLX-GOSISDBHSA-N 356.447 2.429 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)NCCNC(=O)c1ccccc1 32908222 WKBXEKMEHFXFKP-UHFFFAOYSA-N 364.405 2.041 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 103500012 UNLGANWCTMBFIE-SGMGOOAPSA-N 352.456 2.320 0 40 FEAB CCCN(Cn1ncn(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 12543093 YCLNEQZTMPFXPD-OAHLLOKOSA-N 366.512 2.260 0 40 FEAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(=O)NC(C)C 24398667 DFXTUSGMYXGXIB-UHFFFAOYSA-N 362.455 2.233 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1csc(COc2ccc(F)cc2)n1 24864309 MQZINPFCGYMRIF-SNVBAGLBSA-N 351.403 2.116 0 40 FEAB CCOC(=O)C1=C(CN(C)[C@@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@H]1C 34887510 UROXXZZWNLGITJ-QWRGUYRKSA-N 367.396 2.476 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)C[C@H](C)O1 34890522 AILWFZLNPTXSJB-HOTGVXAUSA-N 367.515 2.073 0 40 FEAB O=S(=O)(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccs1 58179667 PWCIWYKUGIDWDD-HNNXBMFYSA-N 370.471 2.239 0 40 FEAB O=C(NCCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F 58173442 BAAJJXSEACPLKX-UHFFFAOYSA-N 354.378 2.063 0 40 FEAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 58186150 QNCWYUAZEGDUCS-UHFFFAOYSA-N 354.458 2.047 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 58226831 QLLWVIVNZSAJDI-KSZLIROESA-N 350.507 2.140 0 40 FEAB CCOc1cc(-c2nnn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)n2)ccc1OC 10337831 ZVVRCYFWAKFUCY-KBPBESRZSA-N 373.457 2.252 0 40 FEAB COCCn1c(N)c(C(=O)O[C@H](C)COC)c2nc3ccccc3nc21 2220132 QYGFOHALYKBUNK-LLVKDONJSA-N 358.398 2.005 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1C 58457589 DRVJIDPXOIUDKK-MRXNPFEDSA-N 371.524 2.260 0 40 FEAB C[C@@H](NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 36393574 NHQZKLIBZSNVIT-CQSZACIVSA-N 358.442 2.302 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)[C@@H](C)CCC3 2440245 FSEJHXAOIFGERL-IUCAKERBSA-N 359.455 2.198 0 40 FEAB CC(C)[C@H](OC(=O)c1ccnn1C)C(=O)N[C@H]1CCOc2ccccc21 64881428 YGGRYGJOXJHZRV-YOEHRIQHSA-N 357.410 2.242 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc1 13732740 QBQSDAGJEONJCC-ZDUSSCGKSA-N 350.465 2.344 0 40 FEAB COc1ccc(C(=O)OCc2ccccc2)cc1S(=O)(=O)NC1CC1 5141723 RVUMMQMJBYCJST-UHFFFAOYSA-N 361.419 2.493 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccnc1 6660598 PGRMCSQFBDIDIG-QGZVFWFLSA-N 367.380 2.434 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCCC1 4896468 LJJOBERSINEQTA-UHFFFAOYSA-N 359.470 2.489 0 40 FEAB CCOc1ccc(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 15083140 LLRRNNLIWZYVDO-UHFFFAOYSA-N 359.403 2.155 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCCCC2)CC1 6954968 GUKPFCFCQWENQQ-UHFFFAOYSA-N 359.470 2.137 0 40 FEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 5976421 YFMSAMLWPMCWND-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB CC(C)CNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858299 LDPKZMCOAQVCLL-JTQLQIEISA-N 358.847 2.038 0 40 FEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OCC(N)=O)cc2)cc1 7581401 QLYHIWKTXZGPJD-CYBMUJFWSA-N 371.389 2.378 0 40 FEAB O=C(Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1cccnc1 71284116 SDYWKFXBZSAHKU-UHFFFAOYSA-N 363.333 2.074 0 40 FEAB O=C(c1ccc(F)cc1Br)N1CCN(c2ncccn2)CC1 8134544 WNTNXTXADLRWQX-UHFFFAOYSA-N 365.206 2.341 0 40 FEAB Cc1ccc(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1C 19646683 HJKKURAIHQASCD-UHFFFAOYSA-N 355.419 2.365 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccncc1 9368662 PILAAMWPJOWESL-UHFFFAOYSA-N 368.462 2.438 0 40 FEAB COC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccccn1)C(F)(F)F 19944372 XAJIRNOGVRIQTH-OAHLLOKOSA-N 353.300 2.355 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 77957144 FPPAKTCIQZNJKX-CYBMUJFWSA-N 352.866 2.034 0 40 FEAB O=C(Cc1ccc(F)cc1F)NS(=O)(=O)N1CCCc2ccccc21 95410465 MKTYQBSCAAHGFJ-UHFFFAOYSA-N 366.389 2.321 0 40 FEAB COC(=O)c1ccc(NCc2cccc(OCC(=O)N(C)C)c2)nc1C 89537002 YVHZEONNBWUBGC-UHFFFAOYSA-N 357.410 2.256 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N1CC[C@@H](OCCCc3ccccc3)C1)CC2 89740839 DVHZZNDKMVXRKJ-RBUKOAKNSA-N 368.481 2.399 0 40 FEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(C(C)C)n1 63440663 GYDBSUYROOMRIC-UHFFFAOYSA-N 362.455 2.411 0 40 FEAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N[C@@H]1CCS(=O)(=O)C1 524734934 KMHVMGMXLGINLN-HZPDHXFCSA-N 366.870 2.424 0 40 FEAB O=C(CCCc1nnc2ccccn12)N1CCN(Cc2ccccc2)CC1 72405984 BJTIHZYYLDNBEO-UHFFFAOYSA-N 363.465 2.396 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NC[C@@H]1CCCO1 217576803 VVFKZEAAYRMKEK-ZDUSSCGKSA-N 368.455 2.197 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218458583 OVMFRLTZNCIPHT-AABGKKOBSA-N 359.491 2.435 0 40 FEAB Cc1cc(C)n2nc(SCCCc3nnnn3-c3ccccc3)nc2n1 40154606 GKQBPSDVWMAJMP-UHFFFAOYSA-N 366.454 2.442 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 72342362 XBVZJENHGDCBDH-CABCVRRESA-N 365.437 2.354 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c1 224342602 FIOXZVMKFRTQNK-UHFFFAOYSA-N 361.471 2.252 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226085513 JRNWIFDYOGXINZ-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 223878781 UALBSALLDVYENG-UHFFFAOYSA-N 366.483 2.352 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)[C@H](O)c2ccc(O)cc2)c1 40162335 LHMBBLYSXFOQBR-GMVOTWDCSA-N 359.422 2.046 0 40 FEAB COC(=O)CON1C(=O)CN(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 96580723 UXTFZNSAEWYUCD-SFHVURJKSA-N 369.377 2.166 0 40 FEAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2[nH]c1=O 96115924 OSNMVTXVATZPGH-GFCCVEGCSA-N 355.346 2.190 0 40 FEAB biogenic O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1)N1CCCC1 96057958 UGIVIXQUNPIJAL-NLWGTHIKSA-N 362.445 2.197 0 40 FEAB C[C@H](CO)NC(=O)c1ccc(NCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 332160730 PYPVDKVIGKRXSZ-JTDSTZFVSA-N 373.497 2.390 0 40 FEAB CC(C)Nc1nc(N2CCCC2)nc2c1CCN(c1ncccn1)CC2 96083843 RROQGLROGAZDJZ-UHFFFAOYSA-N 353.474 2.292 0 40 FEAB O=S(=O)(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccccc1 96112868 VFTCFEUASWDFPP-INIZCTEOSA-N 369.446 2.427 0 40 FEAB biogenic,in-vitro Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96056332 FYGVKBKQBMTRPN-ZHALLVOQSA-N 357.429 2.326 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 535994323 RNINNTZUOYGECW-UHFFFAOYSA-N 373.434 2.203 0 40 FEAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 247966187 XELUVIZDYSIINF-INIZCTEOSA-N 362.445 2.481 0 40 FEAB O=C(Nc1cccc2cccnc12)C1CN(c2cc(-n3cccn3)ncn2)C1 253471646 DWIMBEPSJXYEEF-UHFFFAOYSA-N 371.404 2.285 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)ncn1 257209444 BQJPNJOACHPPOR-CYBMUJFWSA-N 352.398 2.176 0 40 FEAB Cc1cc(=O)oc2ccn(CCc3nnc(-c4ccccc4O)o3)c(=O)c12 1772491326 IKRPJKOFYNRWRI-UHFFFAOYSA-N 365.345 2.261 0 40 FEAB COC[C@H](CC(C)(C)C)NC(=O)N1CCC(C)(N2CCOCC2)CC1 624311836 BWZMBTYDWGUMSF-INIZCTEOSA-N 355.523 2.334 0 40 FEAB COc1cccc(C2(NC(=O)[C@H]3CC[C@@H](C(=O)O)N3C3CC3)CCC2)c1 630672310 JYGLZOCPPVNHIS-SJORKVTESA-N 358.438 2.271 0 40 FEAB Cc1cc(OC2CCN(C(=O)COc3ccc(F)cc3)CC2)cc(=O)n1C 575604870 CNKLCICUYCHNSY-UHFFFAOYSA-N 374.412 2.282 0 40 FEAB CN(CCN1CCCC1=O)C(=O)c1cc(Br)c(F)cc1F 577318895 GAMNVUFPVKDHKA-UHFFFAOYSA-N 361.186 2.422 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)nc1 585275922 BBNIKZRSHMQVDT-NRFANRHFSA-N 354.450 2.074 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cnc(N(C)C)nc3)C2)c1 585276582 NMHQLCJTAJDCMN-HXUWFJFHSA-N 356.470 2.257 0 40 FEAB C[C@H]1CCc2nc(NC(=O)Cn3nnc4ccccc4c3=O)sc2C1 11448793 DMKWOELRPOZBCD-JTQLQIEISA-N 355.423 2.012 0 40 FEAB O=C(Cn1ncc2cccn2c1=O)NC(c1ccccc1)c1ccccc1 12143247 BWXWZQUYGIMRQI-UHFFFAOYSA-N 358.401 2.402 0 40 FEAB CC(C)N1C[C@@H](C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12220192 SYEQQJMVKJKVFA-DOTOQJQBSA-N 372.465 2.433 0 40 FEAB c1coc(-c2nc(NCCCN3CCOCC3)ncc2-c2cnccn2)c1 19342412 GMUXISVIKRLACG-UHFFFAOYSA-N 366.425 2.328 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3CCCC[C@H]3C)c(=O)n12 19523250 VELODNRTGUWBTP-CYBMUJFWSA-N 353.426 2.008 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2cc(C)nc3ncnn23)c1 19852777 OYZCPZVWOIVAGW-UHFFFAOYSA-N 359.411 2.181 0 40 FEAB CSc1ncc(C)c(N2CCN(c3ncnc4cnccc34)CC2)n1 1888890347 NVYBGCUKLKWMBN-UHFFFAOYSA-N 353.455 2.172 0 40 FEAB CCCc1cc(C(=O)N2CCOC[C@@](COc3ccccc3)(OC)C2)n[nH]1 2037938491 FDTLKZVHPZCUMU-FQEVSTJZSA-N 373.453 2.299 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)n(C)n1 2056224301 VTHXLUMDSFEYAH-HDICACEKSA-N 353.470 2.108 0 40 FEAB C[C@@]1(C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)CC=CCC1 1565554505 TVXQEPVCVMGZMR-LJQANCHMSA-N 352.442 2.374 0 40 FEAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4Cc3ccccn3)cn2c1 1565541923 TYSNZRLZZPNARB-OALUTQOASA-N 361.449 2.413 0 40 FEAB O=C(CCc1cncnc1)N1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1 1565545528 JPDUGASPXWOMFC-HXUWFJFHSA-N 356.470 2.193 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545315 FIUGXOBNDZAKRZ-UHFFFAOYSA-N 369.425 2.031 0 40 FEAB CC(C)(CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1063163 CCMYKZACWJUINN-UHFFFAOYSA-N 374.890 2.015 0 40 FEAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)c(C)c1 1371797 KVCYEGWBSVUHKV-RUZDIDTESA-N 359.451 2.333 0 40 FEAB CC(C)N(C(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1)C(C)C 35598341 UOXXDUYMJYMFPF-UHFFFAOYSA-N 357.502 2.326 0 40 FEAB O=C(Nc1ccc(Cl)cc1)[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35507002 JFQTXKFQNZZSQG-ZDUSSCGKSA-N 355.778 2.148 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1SCc1ccco1 40013080 QPALNCFRABNTHT-LBPRGKRZSA-N 351.449 2.489 0 40 FEAB COc1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)ccc1C 31210037 LYMAGDWYAIQFNT-QGZVFWFLSA-N 373.497 2.162 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478373 YHPBDEZFCCVZSE-UHFFFAOYSA-N 360.370 2.116 0 40 FEAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 902276 WZBDRDUHFTVLMS-HNNXBMFYSA-N 365.499 2.142 0 40 FEAB N=C1c2ccccc2CN1NC(=O)CCN1CCN(c2ccccc2)CC1 102138745 QBYYVBSAJUXSBE-UHFFFAOYSA-N 363.465 2.071 0 40 FEAB Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)Nc1ccc(F)cc1 8704177 NVRYLTGHUIOXFL-UHFFFAOYSA-N 362.430 2.381 0 40 FEAB Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)sc2cccc(F)c12 52855416 KPSLMHJUGUXVAK-UHFFFAOYSA-N 356.444 2.066 0 40 FEAB COc1ccccc1NC(=O)c1sc2ncn(CC(=O)O)c(=O)c2c1C 791275 OEWGYNNPDSAWOL-UHFFFAOYSA-N 373.390 2.112 0 40 FEAB Cc1cc(C)c(OCC(=O)NS(=O)(=O)c2c(C)noc2C)c(C)c1 42290363 NGGMVVUDAKFVJJ-UHFFFAOYSA-N 352.412 2.101 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)Nc2cc(OC)ccc2OC)cc1 47336816 STZMPRMUXDKPII-UHFFFAOYSA-N 373.409 2.264 0 40 FEAB CO[C@H](C)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 54923965 RCEYPBXEPWOJCY-SECBINFHSA-N 351.756 2.437 0 40 FEAB CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100421276 CSSBPZDYBJWQFO-QOIOWGMHSA-N 368.389 2.052 0 40 FEAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1COCCO1 55453244 TVOXABAWXIPAMN-HNNXBMFYSA-N 373.371 2.285 0 40 FEAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1OC 57520995 WIGAHYYHBDCCPE-UHFFFAOYSA-N 374.422 2.308 0 40 FEAB O=C(NCCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)n1cnnn1 58094118 LWJAZZUYQVKFCP-QGZVFWFLSA-N 355.829 2.469 0 40 FEAB COc1cc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)cc1OC 58191592 ZLYQBLOKXLHUDS-UHFFFAOYSA-N 366.320 2.098 0 40 FEAB O=C(NCCCNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1F 58166440 KUGKYTZUMAUEJJ-UHFFFAOYSA-N 372.368 2.202 0 40 FEAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 28576499 CORASQFVCSKIGM-INIZCTEOSA-N 350.484 2.346 0 40 FEAB O=C1CCC(=O)N1CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 113945451 DQRVQLCWSMFCNG-UHFFFAOYSA-N 364.467 2.162 0 40 FEAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 48310014 SUGKURLIGMITRB-HOTGVXAUSA-N 370.497 2.389 0 40 FEAB CN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COc1ccc(Cl)cc1 12807893 FCBBXGXMLLODBK-AWEZNQCLSA-N 373.840 2.448 0 40 FEAB Cc1cc(=O)[nH]c(CCNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n1 82091375 KLCCZCUPQSWZLL-UHFFFAOYSA-N 373.416 2.366 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 12929280 PLYZAIQZKGSUAU-UHFFFAOYSA-N 369.352 2.161 0 40 FEAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccncc1 13125210 RQAQDDQLBLVANV-MRXNPFEDSA-N 363.381 2.004 0 40 FEAB O=C(O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 13261813 ZPUSJNHISLMBKB-LBPRGKRZSA-N 350.802 2.016 0 40 FEAB Nc1c(C(=O)Nc2ccccc2)sc(=S)n1CCN1CCOCC1 13688287 KDCYTQPDLQFNNQ-UHFFFAOYSA-N 364.496 2.446 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 4279274 CJWNRZVRQCFWAU-YCCFLXJFSA-N 363.410 2.330 0 40 FEAB COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N(C)C 13844598 NIFATEHIQQLMSY-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)cc1Cl 13943496 CUOUIBQGLVFBHN-NSHDSACASA-N 360.863 2.028 0 40 FEAB Cc1cccc(OCCCNC(=O)CN2C(=O)COc3ccccc32)c1 14181542 XVAMIHUVAKQAMR-UHFFFAOYSA-N 354.406 2.306 0 40 FEAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)c1C 6670459 CYRKINGXOFUPPL-UHFFFAOYSA-N 352.394 2.121 0 40 FEAB COc1ccccc1CC(=O)OCC(=O)NCc1ccc(OC)c(OC)c1 7034897 USADLPZZSVFFRA-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1 67618232 WZLSBECRHRJFDS-MOPGFXCFSA-N 365.433 2.416 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F 9109760 IGCFWHRVLUAMOM-GFCCVEGCSA-N 363.317 2.318 0 40 FEAB Cc1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2n1CCCC2 72310033 POBIVOFAYXPJCO-UHFFFAOYSA-N 352.438 2.126 0 40 FEAB O=C1CN(CC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)C(=O)N1 78927865 YSJNWANNXYALCO-INIZCTEOSA-N 371.824 2.292 0 40 FEAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1 95969515 BQLYBJYWDIDOGK-VXGBXAGGSA-N 368.430 2.209 0 40 FEAB O=C(CN(CC(F)(F)F)C1CCC1)NC(=O)Nc1ccc2c(c1)OCO2 79019999 JZMOESBFUUWLOG-UHFFFAOYSA-N 373.331 2.480 0 40 FEAB CCn1nccc1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36618933 PPZIYRCONSATEM-UHFFFAOYSA-N 351.370 2.400 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CC(c2cccc(F)c2)=NO1 36832999 UEDREZMZWCGABO-KSSFIOAISA-N 356.353 2.275 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 38554314 XUPIDUNNXCSWTP-UHFFFAOYSA-N 360.414 2.213 0 40 FEAB CC(=O)N1CCN(Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355059 ZQQBMNSROWFKPU-LJQANCHMSA-N 367.497 2.066 0 40 FEAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cccnc1 49944692 JNCYQEIQNSZTKA-LJQANCHMSA-N 355.438 2.260 0 40 FEAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 223271472 YESKZOVKJMKMAV-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB O=C(Cc1ccncc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96222359 YVNNEGDFLCVETR-CTNGQTDRSA-N 367.449 2.386 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)Nc1ccccc1)CC2 96083894 SCDQLVAKWPOSNW-UHFFFAOYSA-N 367.453 2.254 0 40 FEAB CNC(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053250 UCKGGQNXYLOKAV-KRWDZBQOSA-N 368.481 2.457 0 40 FEAB COCC(=O)N1CCC(c2cc3c(ncn3C)c(-c3cccnc3)n2)CC1 96099954 YNFXRCWFQXHJRF-UHFFFAOYSA-N 365.437 2.383 0 40 FEAB Cn1ccc(C(=O)N2CC3(C[C@@H](CCOc4ncccc4F)CCO3)C2)n1 248145476 RQFZNRPSRUGJQQ-AWEZNQCLSA-N 374.416 2.045 0 40 FEAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 257307337 SYGGJBOMBYXXGT-GOSISDBHSA-N 352.438 2.409 0 40 FEAB O=C(c1cscn1)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257336111 YNFUGECVZHCGNQ-KRWDZBQOSA-N 358.467 2.348 0 40 FEAB Cc1ncsc1-c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257225002 FEKRUCIJKMYKFB-UHFFFAOYSA-N 352.485 2.123 0 40 FEAB COCCN1CCC(Cc2cnc(-c3cncc(C(=O)O)c3)cn2)CC1 257266125 MBSGENZHWJIALK-UHFFFAOYSA-N 356.426 2.138 0 40 FEAB COC[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CC(C)(C)O1 284373217 DDRLOEDVLUFBJV-MRXNPFEDSA-N 364.467 2.190 0 40 FEAB Cc1cc(C(=O)N2CCN([C@H]3CCOC3)CC2)ccc1OC(F)(F)F 626081975 PIFRRZNEINEEOT-AWEZNQCLSA-N 358.360 2.440 0 40 FEAB O[C@@H](CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1)COC1CCOCC1 629606550 IRGPUFQLZZBBLG-CABCVRRESA-N 372.868 2.204 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(O)nc2)[C@H]1Cc1ccccc1 585275423 CBXDJSKNGFGOMO-ROUUACIJSA-N 353.422 2.139 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccs2)CC1 585113212 HILDICJKSMYEKE-CQSZACIVSA-N 356.513 2.414 0 40 FEAB CNc1cnc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](OC)C2)nc1 585279991 VFFFQRSAPLIOPN-RHSMWYFYSA-N 358.417 2.377 0 40 FEAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccnc1 75165332 XYFBPBMLPRHBEP-UHFFFAOYSA-N 355.320 2.302 0 40 FEAB C[C@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1nc[nH]n1 95454405 QOWTVGUDIVWWJD-VIFPVBQESA-N 370.381 2.374 0 40 FEAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1cccs1 1549161885 PLHGVVCUGWBCGG-RCCFBDPRSA-N 374.441 2.064 0 40 FEAB C[C@@H](OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 5876838 ZNOWNILSWVUJDV-JUKMUDQWSA-N 366.414 2.150 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)s1 12337214 BEDFATPGSRJHPH-UHFFFAOYSA-N 361.423 2.003 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(C(F)(F)F)cc1 12775260 LVMFBWVGSSFRLL-UHFFFAOYSA-N 354.332 2.429 0 40 FEAB O=C(CCC1CCCCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404486 LGPSDFPNPZDPEU-MRXNPFEDSA-N 370.501 2.380 0 40 FEAB CCc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c2c(C)noc2n1 19714511 HJYOIDWDWPUUNN-INIZCTEOSA-N 360.458 2.180 0 40 FEAB O=C(Nc1cnn(CC(=O)N2CCCCC2)c1)c1ccc2nsnc2c1 19746113 FRQNPVYLCPVKJK-UHFFFAOYSA-N 370.438 2.153 0 40 FEAB Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4ncnn34)CC2)cc1 35310969 HHVYZXWQFRKRIE-UHFFFAOYSA-N 364.453 2.274 0 40 FEAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@H]1CCCS(=O)(=O)C1 522261570 NARPDKUMRGCOIZ-ZDUSSCGKSA-N 368.842 2.231 0 40 FEAB Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 548833924 DPKOZLRDWZKBGQ-ZDUSSCGKSA-N 352.442 2.066 0 40 FEAB Cc1cc(C)c2ccc(N3CCO[C@H](C(=O)N4CCCCC4)C3)nc2n1 1888844157 RKWDVQCKYTXNTB-KRWDZBQOSA-N 354.454 2.464 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)N3CCCC[C@@H]3C)CC2=O)cc1OC 5201922 YDJFXBAOSXNEIM-UONOGXRCSA-N 361.442 2.393 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2cccnc2)CC1 2055759377 RADRZKFIVTUHBL-UHFFFAOYSA-N 368.481 2.291 0 40 FEAB COCC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C 2055795784 XMFZRHYGXPEGRF-UHFFFAOYSA-N 372.444 2.099 0 40 FEAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCO1)N1CCCCC1 2086854486 HEMBLFRJNDNBJZ-ZDUSSCGKSA-N 361.339 2.457 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3O)ccc21 814671 WSYGBZKFYNPOSI-UHFFFAOYSA-N 367.814 2.037 0 40 FEAB Cc1c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cnn1C 40087730 ZFFYGRZJMZFBPZ-GASCZTMLSA-N 356.470 2.268 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1 784610 AGSKRWGNZPYRIU-OAHLLOKOSA-N 350.484 2.455 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](Sc3nnnn3-c3ccccc3)C2=O)cc1 101129561 MAZCLCDZIBFVMQ-OAHLLOKOSA-N 365.418 2.395 0 40 FEAB Cc1ccccc1OCCn1c(S[C@H](C)C(=O)O)nc2c(N)ncnc21 1433022 YINQAJKAHKBVMY-LLVKDONJSA-N 373.438 2.361 0 40 FEAB CCN(CC)CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2498370 VYRXBMBEYSJGLS-UHFFFAOYSA-N 358.467 2.289 0 40 FEAB CC(C)NC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583940 DIWVBZFZHKVFGH-UHFFFAOYSA-N 356.422 2.102 0 40 FEAB Cc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)n1 100752890 AACRGMCAKMVKMM-VQIMIIECSA-N 351.454 2.278 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1COc2ccccc2C1 32902377 VCBAJLXZOJWSLR-PMACEKPBSA-N 366.461 2.255 0 40 FEAB COCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)sc2cccc(F)c12 52603456 PMDZRFYXCJQQJV-VIFPVBQESA-N 357.428 2.104 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 57731314 USTHFCOXSXYPLF-RYUDHWBXSA-N 373.844 2.487 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc2n1 100138129 GRLNYFSIOLPFMD-CYBMUJFWSA-N 368.441 2.059 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 102077184 KWSQJVNQQZYNSX-QMWCDGKBSA-N 350.418 2.295 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(c3cccnc3)=NC2=N1 940739 PKPXRDCCBHOVSV-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB Cc1cc(CN(C)[C@@H](C)C(=O)NC(N)=O)cc(C)c1OCC(F)(F)F 54395057 WUQWZFBYXRAUMP-NSHDSACASA-N 361.364 2.260 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 24087986 QCDJULKKOGCSLU-KFWWJZLASA-N 358.438 2.356 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@H]1C[C@@H]3CC[C@@H]1C3)NC(=O)CO2 102451732 MFCNMKJOPZSIQM-JHJVBQTASA-N 350.440 2.040 0 40 FEAB C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C[C@@H](c2ccccc2)O1 58168327 IFUDQOQONKTFAW-BGTYHANMSA-N 370.449 2.150 0 40 FEAB C[C@H]1CN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20680435 HQJPAAJTTQBNHD-DOPWVJJUSA-N 363.502 2.279 0 40 FEAB O=C(NCc1cc[nH]n1)C(=O)Nc1ccc(Br)cc1Cl 58226419 NCMORHQQXITFHG-UHFFFAOYSA-N 357.595 2.081 0 40 FEAB C[C@@H](O)CN1CCN(C(=O)CSCc2cccc(Cl)c2)C[C@H]1C 89939155 VOCPAAVZWGJQGI-ZIAGYGMSSA-N 356.919 2.487 0 40 FEAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 58210901 FPZDJIPGVJWFLI-UHFFFAOYSA-N 365.365 2.156 0 40 FEAB CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2107120 YQSVIOLXHVQCNK-OAHLLOKOSA-N 361.394 2.412 0 40 FEAB biogenic O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccccn2)cs1 12542813 ZGBLMESKSPROLP-TXEJJXNPSA-N 370.434 2.319 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@H](C(=O)C(F)(F)F)[C@](O)(C(F)(F)F)N1 12699501 RZHJVSSVXQYSRJ-XLDPMVHQSA-N 356.222 2.039 0 40 FEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 8253039 XQTFEGUFEGUECW-UHFFFAOYSA-N 371.437 2.143 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 3342286 SLGHRQPTXKTMMW-UHFFFAOYSA-N 373.386 2.381 0 40 FEAB CSc1nnc(CN2CCN(CC(=O)Nc3ccccc3)CC2)s1 48302861 QVSOLIFVQCQNNY-UHFFFAOYSA-N 363.512 2.016 0 40 FEAB Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 12813308 UBOJUTOAURHTHS-AWEZNQCLSA-N 366.512 2.003 0 40 FEAB Cc1cccc(CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c1 12948858 LEFDXPAPWALQHA-UHFFFAOYSA-N 351.516 2.089 0 40 FEAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccccc1 3625925 SZSREAMHDWKYCJ-FQEVSTJZSA-N 359.470 2.383 0 40 FEAB COC(=O)[C@H](CSC1=NCCS1)NC(=O)OCc1ccccc1 4092058 XXRSTWDCUSUPCE-LBPRGKRZSA-N 354.453 2.290 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 13523297 XKRVIZMGLQVOHE-UHFFFAOYSA-N 366.329 2.052 0 40 FEAB Oc1ccnc(SCc2nnnn2-c2ccc(Br)cc2)n1 13625458 NMKHXIFPLXNHON-UHFFFAOYSA-N 365.216 2.213 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13693203 DEPYETLWETYUGL-KBPBESRZSA-N 355.438 2.226 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1C 5212064 BEJMMMARQDFNPG-ZWNOBZJWSA-N 350.415 2.270 0 40 FEAB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)NCc2ccccc2)CC1=O 111882417 UJYSQMQUQPZGOO-QGZVFWFLSA-N 366.417 2.208 0 40 FEAB COc1cccc(CNC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)c1 5665392 XOFTUGFDNXUONU-VQHVLOKHSA-N 371.389 2.282 0 40 FEAB C[C@H]1CN(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@H](C)O1 80326541 SRXWMUCLUSGRQP-QWRGUYRKSA-N 351.428 2.471 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N(C)C 7317163 TXPBRYOQAYIARM-KRWDZBQOSA-N 362.470 2.370 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 84008608 KFTZTUBLQNHUJR-DOTOQJQBSA-N 359.401 2.395 0 40 FEAB O=C(NCCOc1ccc(F)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 78547547 JWCGYARHATVFHW-ZDUSSCGKSA-N 352.381 2.108 0 40 FEAB C[C@H]1[C@@H](C)N(C)CCN1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 95996530 YSCJBXNBDWGETN-MNOVXSKESA-N 361.414 2.239 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408582329 CKHOILXYWDHRMW-UHFFFAOYSA-N 360.863 2.076 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 306139544 SZXPFBZTWYDZKO-CABCVRRESA-N 363.421 2.428 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70762620 JTKZXZWSGKYKIC-ZDUSSCGKSA-N 364.345 2.020 0 40 FEAB COc1cccc(CN[C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 49421006 VUXQVBFXRBONCZ-SFHVURJKSA-N 366.465 2.351 0 40 FEAB COc1ccccc1N(CCCC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O 224762258 JSJWGHNDAIVMFE-OAHLLOKOSA-N 368.499 2.500 0 40 FEAB Cc1cccc(CCN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 572637025 LPTLNTQCHVJFSC-QZTJIDSGSA-N 358.530 2.055 0 40 FEAB Cn1cnc2c(N3CCOCC3)nc(C3CCN(CC4CC4)CC3)cc21 96155594 NXFLYSALTVMPBC-UHFFFAOYSA-N 355.486 2.394 0 40 FEAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)c1cnccn1)CC2 96199655 YNXAGRQYPUYTDZ-MRXNPFEDSA-N 350.422 2.097 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)c3ccsc3)C[C@H]1CN(C(C)=O)C2 96056011 YZKBOQWASQZLJD-YJBOKZPZSA-N 364.467 2.012 0 40 FEAB O=S1(=O)CC[C@@H](COCC2CC2)C12CN(Cc1ccccc1F)C2 247358473 YPMJTWJITNNVSO-INIZCTEOSA-N 353.459 2.241 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 257279696 OHTUVMBYYBXFOQ-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB COC(=O)CCN1C[C@]2(CCC1=O)CC(=O)c1ccc(Cl)cc1O2 257307444 SYQZVFUECZHKTJ-KRWDZBQOSA-N 351.786 2.230 0 40 FEAB CCOc1ccnc(N2CCCN(Cc3cccc(C(=O)O)c3)CC2)n1 263487723 PYJJCIJISDNEKU-UHFFFAOYSA-N 356.426 2.286 0 40 FEAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCOc2cccc(F)c2C1 622584762 JHXHIRPMLUMVAE-UHFFFAOYSA-N 352.369 2.370 0 40 FEAB Cc1nc2ccc(NC(=O)c3ccc(C)c(N4CCOCC4)c3)cn2n1 632833462 SJGXWCKCUCPESK-UHFFFAOYSA-N 351.410 2.435 0 40 FEAB COCCc1cnc2n1CCN(C(=O)COc1ccccc1OC)[C@@H]2C 585097306 IIHFXADPLKFPFJ-CQSZACIVSA-N 359.426 2.063 0 40 FEAB O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280403 HSWZHSLKEXKOAL-OCCSQVGLSA-N 353.344 2.494 0 40 FEAB CO[C@@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1ccc(F)cc1 585279946 UDIPSVKBGUZPNV-RHSMWYFYSA-N 359.401 2.350 0 40 FEAB CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc34)C2)[C@H]1C(C)C 685941687 FSUXYGXJTFXTPF-QQTQMKHKSA-N 356.470 2.163 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)NCCN2C[C@@H](C)C[C@H](C)C2)cn1 57127530 BMVARYDEUYPGAR-HOTGVXAUSA-N 370.501 2.353 0 40 FEAB COCCOc1cccc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1 53056142 YYEGAQQRCKFCOF-UHFFFAOYSA-N 355.394 2.494 0 40 FEAB COCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CCO)cc1C 95454428 FOVVCDSYQZWUAD-UHFFFAOYSA-N 359.488 2.049 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)CC2=O)cc1 97658258 MWDKREZYPAHEKM-INIZCTEOSA-N 351.406 2.081 0 40 FEAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccncc2)C3)c(OC)n1 12089097 ZKCYCOJBHCZSOF-NYTJIUQPSA-N 370.453 2.009 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn23)C1 12118984 GLTMHXSKMYMFCU-JQWIXIFHSA-N 369.347 2.028 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc(C3CCNCC3)ncc2C1 19569709 KUDUSSLWIVWFIN-UHFFFAOYSA-N 366.465 2.080 0 40 FEAB COc1ccccc1CN1CC[C@@H](c2nn(CCN)c3ncccc23)C1 19570047 NFSBUKQWEMDNKW-MRXNPFEDSA-N 351.454 2.388 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C 19578337 HCGIOKQEAKPDEJ-UIAACRFSSA-N 354.498 2.188 0 40 FEAB Cc1cc(N2CCN(Cc3csc(C)n3)CC2)nc(N2CCCC2)n1 1889091468 PXPKBUQTWWFIJM-UHFFFAOYSA-N 358.515 2.472 0 40 FEAB Cn1cc(S(=O)(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)cn1 1889229435 HLEXIBMYJXSNAR-UHFFFAOYSA-N 373.482 2.313 0 40 FEAB COCCNC(=O)NC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 15105694 ZHHUTJYIAATGGJ-QGZVFWFLSA-N 363.458 2.085 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c(C)c1 1775959041 ATIIDYNSGYTJPE-ZWNOBZJWSA-N 352.378 2.046 0 40 FEAB CCc1ncnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)c1F 1776009227 WICHDMOWKGCESO-UHFFFAOYSA-N 365.416 2.357 0 40 FEAB O=C1CC(C(=O)N2CCC[C@]3(CCCN(Cc4ccccn4)C3)C2)=CC=N1 2056224404 INJMLZZIBCQIOJ-NRFANRHFSA-N 366.465 2.214 0 40 FEAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)CCn4cccn4)C3)C2)n1 2056224587 XGKLAVBSLVRLGX-HXUWFJFHSA-N 368.485 2.281 0 40 FEAB c1ccc(-c2ccnc(N3CCN(c4ncnc5cnccc45)CC3)n2)nc1 2087048822 BHQASEVZEJXOJS-UHFFFAOYSA-N 370.420 2.203 0 40 FEAB O=C(c1cc[nH]c1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 1565544680 QMSFPMRHWQJNGR-UHFFFAOYSA-N 352.438 2.455 0 40 FEAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 4038997 AUDUOJRQQZETPZ-OGNFBWPZSA-N 362.422 2.196 0 40 FEAB O=C(CC1=CCCCC1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772316 VNPBJEWFEGYVDG-UHFFFAOYSA-N 356.470 2.324 0 40 FEAB Cc1nc2c(c(N3CCC(Oc4ccn5nccc5n4)CC3)n1)CCC2 2298078364 QXQIHJNYMSOIRU-UHFFFAOYSA-N 350.426 2.364 0 40 FEAB O=C(NCc1ccccc1CO)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 50001814 GAKODVRSMIEWHT-LJQANCHMSA-N 364.445 2.337 0 40 FEAB Cc1nc2ccccc2nc1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 40159002 UPLJGHABNXCHGH-QAPCUYQASA-N 357.435 2.435 0 40 FEAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(F)cc1 20170341 HEVFMEKTWBBAAF-UHFFFAOYSA-N 350.419 2.055 0 40 FEAB Cc1nn(CC(=O)NCc2ccco2)c(C)c1I 1430657 BANSLLVGZPPWHD-UHFFFAOYSA-N 359.167 2.014 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 3378407 CSDRYAFYPUEJKH-UHFFFAOYSA-N 371.418 2.443 0 40 FEAB CN(C)[C@H](CNc1c(NCc2ccccn2)c(=O)c1=O)c1ccccc1 101690511 BUDBONFBWSOIOT-MRXNPFEDSA-N 350.422 2.005 0 40 FEAB COC(=O)/C=C(/Nc1ccccc1C(=O)O)C(=O)NCc1ccccc1 12324642 CYDCPIZPVOMMNY-LFIBNONCSA-N 354.362 2.170 0 40 FEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nc(C)n1 878780 NIDAHTAVYXJADZ-UHFFFAOYSA-N 374.344 2.395 0 40 FEAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 821393 YTYBJONMATXZSN-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB O=C1C[C@@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@H]2CO[C@H]1O2 109066289 NIKGNGJPFJMWDQ-BMFZPTHFSA-N 354.391 2.207 0 40 FEAB Cc1nn(CC(=O)Nc2ccccn2)c(C)c1I 1432174 ZLVXGQKALDFMAQ-UHFFFAOYSA-N 356.167 2.138 0 40 FEAB Cn1nccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 56867482 PCTWJDDFLXSLTB-ZDUSSCGKSA-N 359.405 2.120 0 40 FEAB Cc1c([C@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 57036556 JPRMDZAFTXUCBS-UONOGXRCSA-N 364.467 2.037 0 40 FEAB CC(=O)N1CCc2cc(C(=O)N3CCN(Cc4cscn4)CC3)ccc21 55436620 GPUKUEKFGFSTLN-UHFFFAOYSA-N 370.478 2.010 0 40 FEAB Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 3296053 RTDNJIWHGXPRMG-UHFFFAOYSA-N 351.863 2.463 0 40 FEAB COc1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cc1 67897073 LAHVRTDCBNPKIM-UXHICEINSA-N 352.434 2.307 0 40 FEAB biogenic,in-vitro CC1CCC2(CC1)NC(=O)N(CC(=O)N(c1cccnc1)C(C)C)C2=O 58003294 IYIYBWUAYQQORG-UHFFFAOYSA-N 358.442 2.324 0 40 FEAB C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C12CC3CC(CC(C3)C1)C2 44760038 ZGGWGXIENFSQJI-HDPALTEOSA-N 365.499 2.007 0 40 FEAB COCCn1cc(C(=O)NC[C@@H](O)COc2ccccc2)c2ccccc21 58218986 RFEDUGQKCAPZQM-MRXNPFEDSA-N 368.433 2.457 0 40 FEAB COC(=O)c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 48009050 ODYFKIGVOQFIPD-UHFFFAOYSA-N 371.393 2.493 0 40 FEAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306137943 RKNQIDSOFXLOGS-IEBWSBKVSA-N 369.446 2.435 0 40 FEAB COc1cc(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC 12913158 UOIQRKPFGVFOHV-UHFFFAOYSA-N 371.393 2.453 0 40 FEAB CCOC(=O)Cc1cc(O)n2ncc(-c3ccc(OC)c(OC)c3)c2n1 4386335 ZAIKKRIEUVSYSZ-UHFFFAOYSA-N 357.366 2.225 0 40 FEAB Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(c2ncccn2)CC1 6285388 WPTVBRVKSWFPSN-UHFFFAOYSA-N 360.845 2.474 0 40 FEAB COCCCNC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)SC 20478079 BIWHNNVESYLSNP-NTCAYCPXSA-N 354.863 2.075 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NCCc2ccc3c(c2)OCCO3)c1 6542319 AEGJFJADNQRULN-UHFFFAOYSA-N 368.433 2.163 0 40 FEAB CCOC(=O)c1c(COC(=O)c2cccs2)nc2ccccc2[n+]1[O-] 5576789 GLZFFIWFORHJHT-UHFFFAOYSA-N 358.375 2.463 0 40 FEAB COCc1nc2cc(N[C@@H]3CCCN(c4cnn(C)c4)C3=O)ccc2o1 80298246 ZYLZVHIWUJJTMS-CQSZACIVSA-N 355.398 2.315 0 40 FEAB Cn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 91031491 SSTGLEIQLUAWLE-UHFFFAOYSA-N 361.449 2.440 0 40 FEAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCCCC[C@H]12 9344351 MKJXSGXBUAJDHW-OXJNMPFZSA-N 369.490 2.384 0 40 FEAB C[C@H](SCc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)c(Cl)c1 9335570 ZGVBIEMCVFGVRX-LURJTMIESA-N 356.814 2.089 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 71768194 BDCKPRRPWILLLQ-UHFFFAOYSA-N 354.454 2.114 0 40 FEAB O=C(Nc1ccncc1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 78889666 TUOZEUZHWJJKPX-CYBMUJFWSA-N 351.453 2.325 0 40 FEAB O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc2c(c1)OCCCO2 84490244 HDDPLVTVQBNQOU-UHFFFAOYSA-N 363.317 2.391 0 40 FEAB CCNC(=O)c1cc(N2CCC(NC(=O)C3CCCCC3)CC2)ccn1 84791096 GJNUTSMTVSKZFJ-UHFFFAOYSA-N 358.486 2.497 0 40 FEAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 20237449 OFPMQCXRGYELGZ-UHFFFAOYSA-N 367.858 2.126 0 40 FEAB COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)c1cccnc1 516203453 MFQFGSCXHQGXHT-KRWDZBQOSA-N 350.378 2.220 0 40 FEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nc2c(s1)CCC2 72403825 KVTOPNXRSOPNTQ-UHFFFAOYSA-N 352.419 2.494 0 40 FEAB Cc1onc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1C 556661522 FHAHNZZJNQZZMC-CPCISQLKSA-N 355.441 2.782 0 40 FEAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ncccn1 79477849 UKZYSSSSKFBISL-CQSZACIVSA-N 355.427 2.437 0 40 FEAB CC(C)(C)OC(=O)N1CCc2c(sc3ncn(CCCO)c(=O)c23)C1 39319949 YMVHUCLUHAFBMY-UHFFFAOYSA-N 365.455 2.134 0 40 FEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38754647 VAPGQXMTHNCAQN-LBPRGKRZSA-N 368.405 2.436 0 40 FEAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C 49548333 XOPYSVKDVJUHDD-KRWDZBQOSA-N 369.421 2.051 0 40 FEAB COc1ccc2occ([C@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)c2c1 85879497 CDLOEXZQTDHZOC-LLVKDONJSA-N 353.330 2.239 0 40 FEAB biogenic Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2 40386711 PBASAYAZWMHPQN-SECBINFHSA-N 353.304 2.202 0 40 FEAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)nn1 572605776 YEMINRQIRMHTMQ-LBPRGKRZSA-N 357.345 2.074 0 40 FEAB O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1O 1592810100 GQMXPBOKBAACQT-LLVKDONJSA-N 364.365 2.027 0 40 FEAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccc(F)cc1)C2 96061949 VNKSGPFNMNCDGH-UHFFFAOYSA-N 367.428 2.307 0 40 FEAB Cc1oncc1C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159672 VUCQOZDBRKHYDS-IBGZPJMESA-N 357.385 2.387 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC1CC1)NC2=O 247953906 NDWGAJHSHGEKTJ-LLHLMSRXSA-N 356.422 2.229 0 40 FEAB O=C(C[C@H]1CN(c2ncccn2)Cc2ccnn21)NCCc1cccs1 247882534 WBVSZRBHHQANNG-HNNXBMFYSA-N 368.466 2.045 0 40 FEAB O=S1(=O)CC[C@H](COc2ccccn2)C12CN(CC1CCCC1)C2 247349427 VRWKAIITRSVQSO-MRXNPFEDSA-N 350.484 2.140 0 40 FEAB CNc1cccc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257344947 ZZIFNKZHUZBTTI-QGZVFWFLSA-N 354.458 2.087 0 40 FEAB Cc1cc2nc(C3CCN(C(=O)Cc4cccnc4)CC3)cc(O)n2n1 257211864 CAVAEGQKZKYXAF-UHFFFAOYSA-N 351.410 2.087 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)cc1 257204884 AWRWMLIKAGHCTN-SFHVURJKSA-N 354.454 2.453 0 40 FEAB O=C(O)c1ccccc1CN1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257310786 UGOUKIXMHCZXOF-HNNXBMFYSA-N 366.421 2.119 0 40 FEAB CC(C)CCN1CCC(CNC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)CC1 626757045 YJHDYJQDIAICQC-WBVHZDCISA-N 353.507 2.497 0 40 FEAB CC(=O)N1CCc2cc(C(=O)N3C[C@H](N)CC[C@@H]3C(F)(F)F)ccc21 644808013 SKJMPTXBFLFLIQ-UKRRQHHQSA-N 355.360 2.090 0 40 FEAB Cc1csc(CCNS(=O)(=O)c2ncccc2C(F)(F)F)n1 645459753 NTPCZFARRKBMMH-UHFFFAOYSA-N 351.375 2.386 0 40 FEAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2 567798772 VJLQKTHBBDBPHW-HUUCEWRRSA-N 369.439 2.019 0 40 FEAB Cc1cc(C)cc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 585287776 RFUHJIHLMHHGGV-FPOVZHCZSA-N 363.498 2.175 0 40 FEAB O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)C1(F)CCC1)c1ccccc1 585108242 BZZJWWWUWQDKJK-GVDBMIGSSA-N 360.429 2.315 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2ccn(C)c2C2CCC2)C3)o1 685941421 WWVSYZFLILRHGW-LIRRHRJNSA-N 356.426 2.024 0 40 FEAB COc1cc(N(C2CC2)C2CCN(C(=O)c3c(C)noc3C)CC2)ncn1 585558350 LBCLHVKOWCBWTF-UHFFFAOYSA-N 371.441 2.364 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N 5241927 ACTBSYVEROFHQX-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN2CCCCCC2=O)cc1 11383466 GIORUROFQSEIIU-AWEZNQCLSA-N 360.410 2.162 0 40 FEAB O=C(CN1CCC[C@@H](c2ncncc2-c2ccncc2)C1)N1CCCC1 12118513 UNJBHUIGUPOGKS-QGZVFWFLSA-N 351.454 2.340 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3cccs3)c(=O)c1n2C 12183576 KTUHBQYHYVHPBE-UHFFFAOYSA-N 356.407 2.168 0 40 FEAB CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 15013975 GBIJOWBKNCTYBN-WMZOPIPTSA-N 373.497 2.427 0 40 FEAB Cc1csc([C@H](Cc2cccs2)NC(=O)Cn2nc(C)ccc2=O)n1 19131076 QEVXSLLYWWHDNW-AWEZNQCLSA-N 374.491 2.478 0 40 FEAB CCn1ncc(-c2ccnc3cc(C(=O)N(C)CC4(C)COC4)nn23)c1C 19665139 PBHZTGLWOVYSAP-UHFFFAOYSA-N 368.441 2.030 0 40 FEAB Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 159064862 UCTQTNDAKUJRSK-ZDUSSCGKSA-N 371.437 2.475 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO)ccc1O 689725 OGFXBIXJCWAUCH-WAWZGNHOSA-N 360.406 2.020 0 40 FEAB biogenic,in-vitro COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H]2C(C)C)cc1OC 551915657 NJKMCTCDQHAMFH-BLLLJJGKSA-N 371.455 2.132 0 40 FEAB Cc1ccc(OCC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nn1 1888860242 FDIBIKFLKKNYNL-UHFFFAOYSA-N 372.450 2.025 0 40 FEAB CCc1cnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)nc1 1888868627 UPLCELUUSHGZFW-UHFFFAOYSA-N 365.437 2.477 0 40 FEAB Cn1ccc(C(=O)N2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)n1 1888897348 ILKNTSIRJHDKSD-IAGOWNOFSA-N 374.448 2.086 0 40 FEAB Cc1nc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)c2ccncc2n1 1888904022 SHAGDEVXCRNYEF-UHFFFAOYSA-N 373.367 2.093 0 40 FEAB c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(N2CCCC2)n1 1889108778 IVANXYYAKKUGBB-UHFFFAOYSA-N 365.485 2.072 0 40 FEAB COc1cnc(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc1 1889225606 VDXBYXMXYMLAIH-UHFFFAOYSA-N 365.393 2.112 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)COc4ccccc4Cl)C[C@H]3C2)ncn1 1776009324 DEMDZPMZTLYHKQ-HUUCEWRRSA-N 372.856 2.412 0 40 FEAB CNC(=O)[C@]1(c2cccc(-c3cnc4ccc(Cl)cn34)n2)CCCNC1 2037844596 YZIIDRSRQYFYIK-LJQANCHMSA-N 369.856 2.417 0 40 FEAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCC(C)C)c2ccccc21 3007562 YHMKQYWACBCFDR-UHFFFAOYSA-N 357.454 2.465 0 40 FEAB COc1cc(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2=O)ccn1 1775973071 HAXLJBBWJQQLSR-UHFFFAOYSA-N 374.828 2.302 0 40 FEAB Cc1cc(Br)cnc1N1CCC[C@H](NS(=O)(=O)C2CC2)C1 2086861490 UKYSTTOTZHQVIE-LBPRGKRZSA-N 374.304 2.203 0 40 FEAB O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1ccc(F)cc1Cl 49408776 ZOIUVIIWXKQDTO-UHFFFAOYSA-N 370.833 2.474 0 40 FEAB CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cn1 20045047 ABLDNAKBPNBSLX-UHFFFAOYSA-N 368.890 2.063 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(N2CCCC2)nc1 40120951 XYBWXEWFWVEXLZ-UHFFFAOYSA-N 365.499 2.046 0 40 FEAB COc1cc(S(=O)(=O)N2CCc3ccccc32)cc(C(=O)O)c1OC 45947011 KAZHJGPGJIXGJI-UHFFFAOYSA-N 363.391 2.153 0 40 FEAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OC[C@H]2CCCO2)cc1 7781447 WORPGCVDDMZRJQ-GOSISDBHSA-N 365.393 2.472 0 40 FEAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2cccs2)CC1 29757160 QSSUIMVGDWITDD-INIZCTEOSA-N 371.510 2.099 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C1 29788702 YVPMPGVUUVTGBF-WOPDTQHZSA-N 361.467 2.382 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 2629971 QGMYHWIZYGVNPA-NRFANRHFSA-N 363.417 2.351 0 40 FEAB CN(C)CCN1C(=O)[C@H](O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 3599458 QYKYTLTVPBXRNC-QZTJIDSGSA-N 358.463 2.495 0 40 FEAB in-vitro Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4F)nc32)c1 4274087 VEDYRUZWKMTSBR-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB CCOc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(C)cc1 7616209 XVHRMHQQHNNPCU-UHFFFAOYSA-N 361.466 2.087 0 40 FEAB CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NC(N)=O)nc21 32778392 ABJWJIJMAINKLW-SECBINFHSA-N 358.427 2.065 0 40 FEAB COc1ccc(-c2noc(=O)n2CC(=O)c2cc(C)[nH]c2C)cc1OC 102208142 WAZWHGCVRGNAJZ-UHFFFAOYSA-N 357.366 2.348 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 32838816 XMDNJANURIAHMS-VOTSOKGWSA-N 358.316 2.496 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 55547280 SJOGRZDGPODDJD-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 102957303 GOQKTRCRRQDRHQ-YESZJQIVSA-N 362.495 2.214 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=S)N[C@@H]1C[C@H]3CC[C@H]1C3)C2=O 103249306 SQFDKAZYMHBVSS-ZEMDKHFSSA-N 350.488 2.055 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccccc1Br 58172430 BFEJFTOZUDOBAQ-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCCCC1 58192116 QSNDNMGFCANUHI-UHFFFAOYSA-N 353.488 2.317 0 40 FEAB CCNC(=O)COc1ccc(CN[C@@H]2COc3ccccc32)cc1OC 105468815 IPXQDQCBVNTQGE-MRXNPFEDSA-N 356.422 2.433 0 40 FEAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 3309765 ZCLBYKALTJFLDV-LLVKDONJSA-N 359.407 2.214 0 40 FEAB Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)s1 57993578 VREHZMFHFZEGES-ZIAGYGMSSA-N 357.497 2.173 0 40 FEAB Cc1cc2n(C[C@H](O)CN3CCC(C)CC3)c(=O)c3ccccc3n2n1 58161261 BPAMSCFXHZBTGA-MRXNPFEDSA-N 354.454 2.050 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)o2)C1=O)c1ccccc1 58180242 OKLSBMCDOVKDON-LJQANCHMSA-N 355.394 2.408 0 40 FEAB O=C(CNCc1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 58135641 GBCJBYFRFNLXNQ-UHFFFAOYSA-N 359.357 2.035 0 40 FEAB CC(C)C[C@@H](C(=O)NC[C@@H](C)N1CCCC1)N1C(=O)c2ccccc2C1=O 36077151 YHFHRBUKZNXSFQ-QAPCUYQASA-N 371.481 2.298 0 40 FEAB COc1ccc(C(=O)N2CCN(c3nccs3)CC2)c(OC)c1OC 10669204 LMPHWDWQVVNGOT-UHFFFAOYSA-N 363.439 2.131 0 40 FEAB COC(=O)c1cc(CN(C)C[C@H](O)COc2ccc(F)cc2)oc1C 28694991 LKXURQLJEUWPOA-AWEZNQCLSA-N 351.374 2.385 0 40 FEAB COc1cccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)cc2)c1 3565073 LEZGHGOQKSZCAX-UHFFFAOYSA-N 359.401 2.021 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 13572448 YHJBFALZYUQLJS-LSXCBTEZSA-N 369.465 2.170 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCOCC2)ccn1 14239322 SKZMEIXAPURBPS-UHFFFAOYSA-N 350.422 2.372 0 40 FEAB CN(Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8721517 RQHNLQFRLJPOAO-UHFFFAOYSA-N 371.455 2.269 0 40 FEAB C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N2CCOCC2)o1 4938129 KSHGKOJEDBDOSC-LLVKDONJSA-N 367.402 2.300 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F 6922250 UDFXBWWVRFDIQP-HQJQHLMTSA-N 372.269 2.315 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2cccnc2)N=C1O 8993337 ORIPGDZWSHVNSW-YOEHRIQHSA-N 366.421 2.364 0 40 FEAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 306133979 NAVVLHKCTMZQKC-UHFFFAOYSA-N 369.444 2.257 0 40 FEAB CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)cc1 9238700 PMBGVPYCKBZZBH-LSDHHAIUSA-N 361.471 2.223 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc(-c3ccccn3)cs2)C1=O 9657462 CEKZUXCMIZAOLD-UHFFFAOYSA-N 373.438 2.254 0 40 FEAB Cc1ccc(C)c(OCCS[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 9690739 KEIPPQPZMFDJLN-LSDHHAIUSA-N 371.524 2.107 0 40 FEAB CCCCS[C@H](C)C(=O)NC1CCN(c2ncnc3[nH]cnc23)CC1 84746806 FHSSDHZMCXDRSX-GFCCVEGCSA-N 362.503 2.360 0 40 FEAB CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 79071531 FBRCZPKRAVEQPC-FQEVSTJZSA-N 371.481 2.071 0 40 FEAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccccn4)CC3)[nH]n2)cc1 98212502 SBAUTUVPGUQWEW-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)CCc1nc2ncccc2[nH]1 79495349 YDBMKNWWZNZRPH-UHFFFAOYSA-N 367.409 2.415 0 40 FEAB CCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 409062602 XLZRVJBWTJMGIH-UHFFFAOYSA-N 364.442 2.461 0 40 FEAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccoc1)C2 306134806 NYMVDBCXYVOKST-CQSZACIVSA-N 359.401 2.429 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccco2)C1=O 409236824 HSMXLXRFRXGOSV-VUCNNBARSA-N 367.361 2.376 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 409065069 FXYCMIDXYFPHNY-TVNQGELYSA-N 351.380 2.302 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1ccco1 524730551 NCUFQCJMAUHOGC-KNBMTAEXSA-N 354.406 2.438 0 40 FEAB biogenic COc1cc(OC)cc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)c1 655259061 UATHPSYAPVUBLX-UHFFFAOYSA-N 357.410 2.486 0 40 FEAB CCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 32127206 UYNBQPSQKIGEQB-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccncc1 75161877 ILAXEWNXRKLYRZ-UHFFFAOYSA-N 360.421 2.451 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1ccc2ccccc21 71284750 JGONDPOQLZAJKH-UHFFFAOYSA-N 364.449 2.283 0 40 FEAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1OC 226259734 SFDCHRVJOMCLMQ-UHFFFAOYSA-N 370.453 2.290 0 40 FEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225504954 MJZNGRFRFIYOEG-YFHUEUNASA-N 362.495 2.392 0 40 FEAB CC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C)c3)CC2)cs1 44174213 YGCHBSHVMRGCRO-UHFFFAOYSA-N 358.467 2.301 0 40 FEAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 222913107 FLSBYKBVVQCOIG-YOEHRIQHSA-N 350.434 2.494 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCC2)CC1 198591760 OQIJQWFKFHDCEC-UHFFFAOYSA-N 364.511 2.286 0 40 FEAB CCn1nc(C)cc1C(=O)N1CCOC[C@H](Oc2ccc(OC)cc2)C1 85435992 SKYRTWHOUNBFNG-QGZVFWFLSA-N 359.426 2.140 0 40 FEAB biogenic,in-vitro Cc1ccc2nc3c(cc(C(=O)NCC(=O)c4ccccc4)n3C)c(=O)n2c1 96347387 YFCPTVAOJVEQHQ-UHFFFAOYSA-N 374.400 2.107 0 40 FEAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)c2ccccc21 96079305 HTPAZPMGCBBLKY-OAHLLOKOSA-N 352.438 2.125 0 40 FEAB O=NN[CH-]c1cccc[n+]1COC[n+]1ccc(C(=O)C2CCCCC2)cc1 95115866 KKFQTBMASUVHEA-UHFFFAOYSA-O 369.445 2.437 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc(F)cc1)CCC2 96259352 IYAVRGLNANAJGB-UHFFFAOYSA-N 356.401 2.191 0 40 FEAB Cc1cnc(N2CCC[C@]3(COCCN(c4ccc(C)nn4)C3)C2)nc1 96229166 FDUKTGYPHHRWLP-LJQANCHMSA-N 354.458 2.007 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1F 583616293 MIFKRGSXMUTRDD-CPUCHLNUSA-N 357.447 2.075 0 40 FEAB O=C(c1cccs1)N1CCOC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96052035 YMPUZYUPNBJMOE-QAPCUYQASA-N 350.484 2.092 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCc1cccs1 96208425 JBPVEYNPSHTAOC-LZLYRXPVSA-N 357.479 2.439 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 247739270 MVAOGFLZBCTXTF-INIZCTEOSA-N 369.469 2.308 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)no1 257208227 BLFZYVGCLYNESX-DKSSEZFCSA-N 357.410 2.467 0 40 FEAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)Cn2ccnc2)n1 257283584 OYXHIFGJSOASDL-OAHLLOKOSA-N 352.398 2.309 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2cccc(F)c2)n1 257265816 MALGQWVCTZGQQL-SFHVURJKSA-N 356.401 2.158 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257341383 ZKCXQQKOWDAUNQ-AUUYWEPGSA-N 359.401 2.402 0 40 FEAB O=C(O)c1cc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)ncn1 1602277943 XTAMCZDEUIDKJQ-UHFFFAOYSA-N 350.382 2.344 0 40 FEAB CSC1(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)CCN(C)CC1 594943497 JUSQCKLMPVNJPZ-DOTOQJQBSA-N 352.548 2.305 0 40 FEAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)C/C=C/c2ccc(F)cc2)C1 1775958431 ZAYBYPYTINIGCJ-SRPIJEGYSA-N 358.417 2.324 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829180 WYDXSQPJDKONNI-SECBINFHSA-N 363.823 2.173 0 40 FEAB Cc1ccc(S(=O)(=O)n2c(=O)oc3cc(Br)cnc32)cc1 575423641 PWCIZOYASWLIRJ-UHFFFAOYSA-N 369.196 2.297 0 40 FEAB CN1CCC[C@H](NC(=O)CCc2ccnn2C)[C@@H]1Cc1cccc(F)c1 585280487 JHSXHYQTRBWNOC-OALUTQOASA-N 358.461 2.314 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@]12C[C@H](c1ccccc1)CO2 585288173 PPRXKPYOWYNAMO-SQGPQFPESA-N 354.406 2.201 0 40 FEAB COCCn1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n(C2CC2)c1=O 77151042 UEKSFKBXURTART-CVEARBPZSA-N 374.485 2.088 0 40 FEAB Cc1cnc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1 585582066 MRMJLVSRANKBMK-UHFFFAOYSA-N 363.425 2.120 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159454 USOJXVMMXKYHJV-IBGZPJMESA-N 374.437 2.464 0 40 FEAB Cc1ncsc1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 12086084 SEUPCKXKZSHYRL-UHYGZKCKSA-N 368.462 2.485 0 40 FEAB Nc1nc(N)c2c(n1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)ccc1Cl 13549439 LJNORAMXPXKCMD-ZCFIWIBFSA-N 367.196 2.012 0 40 FEAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccccc1 8113701 LKBAXRMTRHORSS-DHDCSXOGSA-N 351.362 2.376 0 40 FEAB CC(C)[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC(N)=O 4400217 SWLOOAVCENHYBA-HNNXBMFYSA-N 359.382 2.268 0 40 FEAB O=S(=O)(NC[C@]1(O)CCCc2sccc21)c1ccc2c(c1)CCO2 1889148789 MLDFCYANWSYLNK-QGZVFWFLSA-N 365.476 2.185 0 40 FEAB CCCCOc1ccc(C(=O)NOCC(=O)N[C@@H](C)CC)cc1OC 20918056 SDHDWIBXVBPNLB-ZDUSSCGKSA-N 352.431 2.450 0 40 FEAB O=C1COC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)CN1c1ccccc1 2037980736 GTRIVFPKRBNUAW-OAQYLSRUSA-N 370.424 2.460 0 40 FEAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]4CCCN4C3)cc21 1057588 VVTRSWANRODQKW-LBPRGKRZSA-N 359.401 2.491 0 40 FEAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1 4338311 TYPSLCZEHDIOKU-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB O=C(COc1ccccc1F)NCc1nnnn1-c1ccc(Cl)cc1 9570767 UEMGRBCEKGYPIB-UHFFFAOYSA-N 361.764 2.150 0 40 FEAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)cc(=O)o1 206968460 PJROAJBGLOMPLT-GFCCVEGCSA-N 369.826 2.444 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(Cc4cc(C)on4)CC3)nc(C)n2)n1 2298215349 IFEWPWGSXQSZJU-UHFFFAOYSA-N 367.457 2.206 0 40 FEAB Cc1nc(N)nc(C)c1CCC(=O)Nc1cccc(Cn2cccn2)c1 19719219 HTWWUQDJSSXVAH-UHFFFAOYSA-N 350.426 2.492 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccoc2)N2CCOCC2)cc1OC 40012971 RNKUCRAFDYYXFI-INIZCTEOSA-N 360.410 2.100 0 40 FEAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(F)cc1 1344578 IUQDAFWECGAJAE-UHFFFAOYSA-N 367.315 2.138 0 40 FEAB CCc1c(C)nc2ncnn2c1N1CCC[C@H](C(=O)NCc2ccco2)C1 4898165 UGEUXXZMTFTOOZ-AWEZNQCLSA-N 368.441 2.121 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 6408564 WCIGUZSSPWUMOZ-LBPRGKRZSA-N 352.843 2.323 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6945359 PUYGQSBDIJBHHN-CYBMUJFWSA-N 356.488 2.447 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 6946783 VMIIDNYAIQDDAV-KGLIPLIRSA-N 356.488 2.447 0 40 FEAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2652361 UVTTWLZXPSLACS-UHFFFAOYSA-N 355.350 2.175 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 8158302 AQNWVTQEVONUCM-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 52411988 RVDFEYFTXXEDOB-UHFFFAOYSA-N 361.419 2.380 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)OCC)CC2)c1C 9364239 XDGJRXRQUOYLBB-UHFFFAOYSA-N 350.415 2.224 0 40 FEAB Cc1cc(CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)no1 22799822 UBNXTOGSZPNFOD-HXUWFJFHSA-N 368.481 2.464 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 809605 AKPVNSLTKAADSE-CQSZACIVSA-N 354.472 2.011 0 40 FEAB COC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCC1 22987830 WPGYRDWRBQWRFN-UHFFFAOYSA-N 365.382 2.162 0 40 FEAB C[C@H](NC(=O)c1cnn(C)c1)c1cc2c(cc1Br)OCCO2 54594685 WUUKMMGMFHCKMY-VIFPVBQESA-N 366.215 2.445 0 40 FEAB CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670377 AEGZEFHWBRJXEF-RBUKOAKNSA-N 370.501 2.371 0 40 FEAB O=C(NCCC(=O)N1CCN(c2ccccc2O)CC1)NC1CCCCC1 24362433 PWFRHARIXHAWNT-UHFFFAOYSA-N 374.485 2.063 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 24598125 CNANEDSFHLICFU-KRWDZBQOSA-N 366.417 2.482 0 40 FEAB Cc1noc(C)c1COc1ccc(C(=O)NCCCN2CCOCC2)cc1 25285914 LXHCMJLVTMINAT-UHFFFAOYSA-N 373.453 2.323 0 40 FEAB COc1c(Cl)cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 25676189 LFJKMFJHSVURKO-VIFPVBQESA-N 352.239 2.261 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1OC 44577481 OSHQAIBQJBAWFJ-HNNXBMFYSA-N 356.426 2.027 0 40 FEAB Cn1c(SCCc2nc3ccccc3c(=O)[nH]2)nnc1C(F)(F)F 58168746 ZYSGLGJZMSIQOF-UHFFFAOYSA-N 355.345 2.405 0 40 FEAB NC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 58121676 KHFLBENSPHAZRT-UHFFFAOYSA-N 372.856 2.200 0 40 FEAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)O 408820860 ZVXNTSCJVRMVNS-YHYXMXQVSA-N 357.771 2.478 0 40 FEAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cn2cncn2)cc1 10356103 SQGXSRAVTAVBQV-UHFFFAOYSA-N 360.421 2.496 0 40 FEAB C[C@@H](NC(=O)CSC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 58342923 OEEXQKJXMTYSAS-MRVPVSSYSA-N 356.391 2.488 0 40 FEAB CN(C)C(=S)Nc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1 2350684 JAJPIBPAAPKBOC-UHFFFAOYSA-N 361.475 2.054 0 40 FEAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409239035 YVKKZJOVSRMBEL-UKTHLTGXSA-N 351.380 2.223 0 40 FEAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12754045 OFHAYHFWQLJGBZ-GFCCVEGCSA-N 354.410 2.324 0 40 FEAB COC(=O)c1cc(N)c(I)c(Br)c1 62350404 OGHWAKOHMJJNPZ-UHFFFAOYSA-N 355.957 2.423 0 40 FEAB CC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467624 NEHNQHYOMTZKKJ-UHFFFAOYSA-N 367.755 2.392 0 40 FEAB COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1 3448810 XFWMXMTVAJQBQG-HNNXBMFYSA-N 362.451 2.456 0 40 FEAB COc1cc(C(=O)NCc2ccccc2C)cc(Cl)c1OCC(N)=O 14491540 MUKULXPQHRLZAW-UHFFFAOYSA-N 362.813 2.451 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCN(C)C)c12 6659291 PJVBGNLKHLQHLO-CQSZACIVSA-N 360.454 2.499 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1NC(C)=O 7050496 JFPARCRLCSNSQB-UHFFFAOYSA-N 360.395 2.331 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 15623784 LELTUXKVFSNDQU-UHFFFAOYSA-N 352.350 2.183 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)n2)cc1 7499571 IWHOCQLSGYKCLZ-MRXNPFEDSA-N 359.451 2.490 0 40 FEAB COC(=O)c1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 9861522 JDYDSPLRHWGDCT-UHFFFAOYSA-N 369.421 2.360 0 40 FEAB COCc1nc([C@@H]2CCCCCN2C(=O)c2ccc(N(C)C)nc2)no1 96001270 WEDGTNCOXNTLNB-AWEZNQCLSA-N 359.430 2.435 0 40 FEAB COC(=O)[C@@H]1CCCc2c1cnn2CC(=O)NCc1ccc(Cl)cc1 83884548 PITMEARPVUVDFX-CQSZACIVSA-N 361.829 2.446 0 40 FEAB CN(C)CCCOC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 75103721 SUEURZOLIYWFQQ-UHFFFAOYSA-N 366.527 2.297 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCCC1 22248837 JNFPLXVXSFFLQO-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30944330 KRLGCSCAYUSCFJ-KRWDZBQOSA-N 365.905 2.000 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 35855706 WNYJHPPZISCSFD-MOPGFXCFSA-N 357.498 2.291 0 40 FEAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218563196 MFRGDFDKSSEPGS-VYDXJSESSA-N 355.525 2.459 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/Sc1nnc(C)o1)C(=O)O 211547109 WEYCGQIFEDLIHK-FMNNIJNLSA-N 358.379 2.478 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 33770848 ZHQMSENGCXTUOR-AWEZNQCLSA-N 368.499 2.319 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(OC)c(OC)c1 71283212 OCTAOLCWMXWNQD-ZDUSSCGKSA-N 373.409 2.246 0 40 FEAB CCOC(=O)Cc1c(C)nc(-c2ccc(N3CCCC3)c(N)c2)[nH]c1=O 225404532 LLPMFDFSHPIMJP-UHFFFAOYSA-N 356.426 2.033 0 40 FEAB Cc1nc(C)n(C[C@H]2CN(Cc3cccc4c3OC(F)(F)O4)CCO2)n1 571054043 UTIUONSMMXCCBY-CQSZACIVSA-N 366.368 2.117 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)CCCc2ccccc2)n1 224177766 SIDJPAQYSSHLOX-UHFFFAOYSA-N 354.454 2.261 0 40 FEAB CC[C@H](C(=O)NCc1cc(C)nc(N2CCOCC2)n1)c1ccccc1 224227685 SQFJEAGHXWHMBY-SFHVURJKSA-N 354.454 2.432 0 40 FEAB CCn1nnc2c1CCN(C(=O)CC1Cc3ccccc3C1)[C@H]2COC 96198487 WHSULMBQGFPAMH-SFHVURJKSA-N 354.454 2.175 0 40 FEAB O=C(Nc1ccccc1F)N1CCn2nnc(COc3cccnc3)c2C1 96256023 ONCBLPOLQZOBGB-UHFFFAOYSA-N 368.372 2.439 0 40 FEAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)C1CCCC1 96296346 UIQMQKQIAXQWJI-HNNXBMFYSA-N 369.421 2.484 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)o1 96049834 KKHDHXGDNYCBEF-FQEVSTJZSA-N 357.454 2.086 0 40 FEAB O=C(CCc1ccccc1)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96207533 ODZDGWJLRLZNCK-WIYYLYMNSA-N 356.466 2.392 0 40 FEAB O=C(Nc1cnccn1)[C@H]1C[C@@H]2CCN(Cc3ccccc3F)C[C@H]2O1 96042824 FNSFEHUFTRGUIB-IAOVAPTHSA-N 356.401 2.234 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cccnc2)C3)n1 247864194 HPRUEAHFGJSGRQ-SFHVURJKSA-N 353.422 2.375 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 245230542 UGMVWRUROSQBMX-PLLDYVMSSA-N 368.433 2.449 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCCN2CCCC2)cc1 248019222 LSFFFFKKDSSYTP-NZSAHSFTSA-N 364.511 2.259 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 257201344 AHHHTLJGWAZEBJ-CYBMUJFWSA-N 350.426 2.490 0 40 FEAB CN(C(=O)c1ccc2[nH]nnc2c1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257328191 XEODAESVEFQGEJ-SQNIBIBYSA-N 352.394 2.001 0 40 FEAB Cc1csc(-c2ccc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc2)n1 257225473 FGIYEVHMIKCMED-AWEZNQCLSA-N 352.485 2.457 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1F 575413931 SEBGWLGLPBIBJZ-ZDUSSCGKSA-N 361.421 2.131 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CCCC1)C2 585104928 XHDIFZQJLGJDPB-QGZVFWFLSA-N 364.511 2.342 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](O)C2)C3)c1 585105139 ZEHCNKDCUHXQEF-VQTJNVASSA-N 372.509 2.463 0 40 FEAB CN1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@@H](C(=O)N(C)C)C1 585282955 KJGGTQDHLBNQIX-JAXLGGSGSA-N 373.541 2.027 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(C(=O)C3CC(F)C3)CC[C@@H]12)N1CCCCC1 585109283 GKNPBKXAXISVOL-AEFXTWNNSA-N 352.450 2.001 0 40 FEAB CC(=O)c1cc([C@H](O)[C@@H](C)O)ccc1OC(=O)c1ccc2c(c1)OCO2 49180882 BVHCIBPROINFPQ-ADLMAVQZSA-N 358.346 2.251 0 40 FEAB biogenic,in-vitro CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)s1 548537280 QAERERXTIKCEBK-QWRGUYRKSA-N 361.485 2.204 0 40 FEAB O=C1CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c2ccccc2N1 5626517 RWQYGKVJDHDCQW-UHFFFAOYSA-N 366.402 2.001 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3C(=O)C2CCCCC2)n1 12366401 BJEMUSVWQDYANB-HTZLVSCSSA-N 373.497 2.407 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 13672296 PUUFGSMFNXTERZ-CABCVRRESA-N 368.499 2.498 0 40 FEAB O=C(N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1)c1cc[nH]n1 19332445 QJFZKMCCTIREKB-MRXNPFEDSA-N 367.384 2.223 0 40 FEAB O=C(NC1CCCCC1)NC1(C(=O)N2CCC(O)CC2)CCCCC1 4981805 NNQQRDXKGQDQKH-UHFFFAOYSA-N 351.491 2.305 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 156958471 XAVQJASBMDYQRP-BGTYHANMSA-N 360.454 2.453 0 40 FEAB Cc1[nH]n(CC(=O)N2CCc3onc(Nc4ccccc4)c3C2)c(=O)c1C 19577050 HMQNPUSGYWEJTL-UHFFFAOYSA-N 367.409 2.110 0 40 FEAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccccc1C(F)(F)F 253400079 KLTKGMFCQFHSHA-WXHSDQCUSA-N 365.373 2.320 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(c2cc(-n3cccn3)ncn2)CC1 1889224970 GNLAWKZBVIXBDD-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB CCC[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1 27631921 UBPBZZQLYVSXAF-SFHVURJKSA-N 353.470 2.256 0 40 FEAB Cc1cc([C@@H](C)NC(=O)Cn2nnn(-c3cccs3)c2=O)c(C)s1 31951205 PEBRGIKIMYNVOQ-SNVBAGLBSA-N 363.468 2.046 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1 32833697 NNAMECOSNXEJPQ-UHFFFAOYSA-N 372.406 2.070 0 40 FEAB CC(=O)N1CCC(N2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)CC1 2037849896 FPIUCMXGSKFUIB-JRGCBEDISA-N 373.497 2.341 0 40 FEAB CC(C)(F)C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988689 DUJYJTOYXDPPDA-GOSISDBHSA-N 352.381 2.298 0 40 FEAB Cn1nccc1N1CCC2(CCN(C(=O)Cc3ccccc3)CC2)C1=O 1565542411 ZQPRJJQVPJZGTG-UHFFFAOYSA-N 352.438 2.008 0 40 FEAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2ccccc2OC)C1=O 2711079 BPNWIBPVOUBYOA-KBPBESRZSA-N 350.440 2.293 0 40 FEAB O=C1C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1cccc(F)c1 5222166 ICTGDCNFRHGROG-GFCCVEGCSA-N 370.352 2.188 0 40 FEAB COc1cccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c1 8954770 GAVBAJPFYRTSTB-UHFFFAOYSA-N 355.419 2.410 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1OC 9615557 BAWJOPZBMWFFFV-UHFFFAOYSA-N 354.370 2.001 0 40 FEAB CCn1cc(CN2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)cn1 2055751329 LEXLIHLRBDPYQG-UHFFFAOYSA-N 355.486 2.438 0 40 FEAB COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1 1267198 DQFCITSNDDECTE-UHFFFAOYSA-N 371.441 2.090 0 40 FEAB COc1ccc(-n2nc(C(=O)NCCCO)nc2-c2ccccc2)cc1 13568900 UCDFWEKCGAMLRI-UHFFFAOYSA-N 352.394 2.055 0 40 FEAB Cc1ccccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 30096449 VJTCJKLXMJBUSK-UHFFFAOYSA-N 368.433 2.447 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCn2cnc3ccccc32)c1 40040351 CCXRAZUMYYKETL-UHFFFAOYSA-N 373.434 2.192 0 40 FEAB Cc1cccc(N2C[C@H](C(=O)NC3CCN(C4CC4)CC3)CC2=O)c1C 29090733 IBOGZULBINNXTO-MRXNPFEDSA-N 355.482 2.399 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2ccccc21 16480297 MZPORJJNKZNCJP-UHFFFAOYSA-N 373.478 2.247 0 40 FEAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)OC(C)C)c(=O)c12 958737 KYDNKOVMSWZYNA-UHFFFAOYSA-N 352.412 2.283 0 40 FEAB O=C(O)CCCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 1773977 HCLBVQQPGWDEHG-UHFFFAOYSA-N 362.407 2.329 0 40 FEAB O=C1CCC(=O)N1c1cnn(COc2ccc(Br)cc2)c1 2732703 ULAKAEYPPVREPZ-UHFFFAOYSA-N 350.172 2.336 0 40 FEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(F)cc1 20614099 BCLDPBDPHFYFMB-QGZVFWFLSA-N 372.396 2.358 0 40 FEAB CC(=O)N[C@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccccc1 2664582 QFCLHOALEKCJGL-GOSISDBHSA-N 366.417 2.386 0 40 FEAB CNCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540724 WCBZFVCGEUGPBR-UHFFFAOYSA-N 360.410 2.219 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccccn1)n2CC 8719777 NCUKKUXPBCUDPG-UHFFFAOYSA-N 359.455 2.394 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCC(=O)c1ccccc1 32883794 AWPHVDCTKDHOSF-UHFFFAOYSA-N 374.462 2.216 0 40 FEAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)cc1 52658727 RLEWHGACZFHONZ-AWEZNQCLSA-N 356.426 2.335 0 40 FEAB COc1cc([C@H]2N=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)ccc1O 9289367 CONRXHSNBFNAOX-KRWDZBQOSA-N 369.425 2.080 0 40 FEAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 12296638 XBXUMTREPCJOGE-UHFFFAOYSA-N 351.362 2.056 0 40 FEAB biogenic O=C(Nc1ccc(O)cc1)c1nc(-n2cnnc2)ccc1Br 21721157 CLOACPWCFFXZQP-UHFFFAOYSA-N 360.171 2.383 0 40 FEAB CCCn1c(=O)n(CC(=O)N[C@@H](C)CN2CCCCC2)c2ccccc21 24803131 LQHHCSNBFDNPAL-INIZCTEOSA-N 358.486 2.204 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)c2csc(-c3ccsc3)n2)n1 25189736 OKIUKGWFTUTKHK-UHFFFAOYSA-N 362.440 2.062 0 40 FEAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(N)(=O)=O 29507930 YORBAEXHXHASAA-UHFFFAOYSA-N 358.778 2.387 0 40 FEAB O=C(NC[C@@H](O)COc1cccc(F)c1)c1cc2ccccc2oc1=O 56669899 RBHZWIWUMCFPBU-CQSZACIVSA-N 357.337 2.102 0 40 FEAB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)c1 57521025 XWNNVDHSGDAUCS-UHFFFAOYSA-N 356.407 2.493 0 40 FEAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525623 GFQINHKNIURBMB-UHFFFAOYSA-N 357.797 2.301 0 40 FEAB Cc1nnc(S(=O)(=O)Cc2noc3c2CCCC3)n1Cc1ccccc1 108933698 AUDVQUAFDSWLCF-UHFFFAOYSA-N 372.450 2.476 0 40 FEAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@@H]1C 20466083 CXAMELXYQHONHH-NANOEKLYSA-N 350.503 2.229 0 40 FEAB biogenic,in-vitro COc1ccc(NC(=O)CSc2ccc3nnc(C)n3n2)c(OC)c1 44890459 QQYIUZNGIRZGKG-UHFFFAOYSA-N 359.411 2.181 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H](CO)C1 44831696 UINDULZNDFPHNC-MRXNPFEDSA-N 364.442 2.484 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 10236634 QEWGFLRQGSJZFW-UHFFFAOYSA-N 353.378 2.233 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)cc1 2235849 IUXAXIFTGPWSEK-ZDUSSCGKSA-N 360.797 2.215 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3392353 TYPARGHPGHUOJY-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB CCn1c(=O)n(CC(=O)NC2CCN(C(C)(C)C)CC2)c2ccccc21 48287003 KBBFKPTVLPRTQW-UHFFFAOYSA-N 358.486 2.202 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3463837 TWHLAYZPVLRFAG-UHFFFAOYSA-N 366.373 2.010 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2)cc1OC 13112243 DNPKWRAXPOIGKZ-KCQAQPDRSA-N 373.457 2.298 0 40 FEAB COc1ccc(CNC(=O)COc2cc(C(=O)O)ccc2C)cc1OC 13248658 BFPZCYYSXMZKEQ-UHFFFAOYSA-N 359.378 2.406 0 40 FEAB CCCNC(=O)C[C@@H](C)CC(=O)N1CCN(c2ccccc2OC)CC1 4687694 IHSVAIPJVJRVLB-MRXNPFEDSA-N 361.486 2.286 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 66377135 JOHHGEPZDVDQOY-LBPRGKRZSA-N 357.439 2.301 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 8726993 KURYDKSHFOPIOT-SJORKVTESA-N 361.486 2.166 0 40 FEAB CN(C)C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 6980926 LZSHZXOTXXVRQW-UHFFFAOYSA-N 354.435 2.020 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1OC 7674641 XGSXBKKDEWPPTG-UHFFFAOYSA-N 361.423 2.069 0 40 FEAB O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9365410 HGTWRAIFHUEKJR-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CCO 89969078 FBIVRRBKFYSFAU-UHFFFAOYSA-N 374.466 2.121 0 40 FEAB CN[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541384 XNTLDGOMHINCRE-VIFPVBQESA-N 353.307 2.192 0 40 FEAB COc1cccc(CNC(=O)COC(=O)Cc2cccc(F)c2)c1OC 72333759 VBNRIQFKKVXERC-UHFFFAOYSA-N 361.369 2.245 0 40 FEAB CC[C@@]1(C)CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1 76067199 VCWKURNYKYSUBZ-KRWDZBQOSA-N 354.472 2.256 0 40 FEAB COc1ccccc1NC(=O)Cn1c(=O)ncn1-c1cc(C)ccc1C 95430478 NPUPOFAACBGMSO-UHFFFAOYSA-N 352.394 2.298 0 40 FEAB CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CSc1nccn1C 95961547 ULFHUYBVSNZDJP-GOSISDBHSA-N 361.467 2.193 0 40 FEAB CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 89382628 JJSWIOCBURLECX-MRXNPFEDSA-N 360.458 2.049 0 40 FEAB CN(CCNC(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 219245739 LGZBWWOFDISGKE-UHFFFAOYSA-N 353.466 2.385 0 40 FEAB Cc1cc(Cl)ccc1C1=CCN(S(=O)(=O)N(C)CCC(=O)O)CC1 530150177 HRFOBHFAKSXBMV-UHFFFAOYSA-N 372.874 2.389 0 40 FEAB Cc1ccc(OCC(=O)NCCN2CCN(c3ccccc3)CC2)cc1 56997146 GDTNSCNVWMPGNJ-UHFFFAOYSA-N 353.466 2.312 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 79440174 PVEVAFPYOJNCBV-CZUORRHYSA-N 362.426 2.342 0 40 FEAB COc1cc(CNC(=O)C(C)(C)C(=O)O)cc(Br)c1OC 566287587 IAWOFYIVCWZCBT-UHFFFAOYSA-N 360.204 2.193 0 40 FEAB CCc1nn2c(nnc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccccc1 40388384 ZPCMLAGSWUTOSQ-LLVKDONJSA-N 363.377 2.314 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 71284960 CNLRIAFISOBHER-UHFFFAOYSA-N 366.377 2.116 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1 225416590 MNDPSUHKETTYPN-SOLBZPMBSA-N 359.470 2.009 0 40 FEAB O=C(NCc1ccccc1Cl)[C@@H]1COCC(=O)N1Cc1cccs1 85472544 NBIYDCZRCWAZLI-HNNXBMFYSA-N 364.854 2.445 0 40 FEAB O=C(c1ccsc1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762440 CGRNDIVSGYUQLL-UHFFFAOYSA-N 373.409 2.368 0 40 FEAB COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(C)cc(=O)c1O 96115215 XJIDTRUECDHDRN-NSHDSACASA-N 364.350 2.072 0 40 FEAB biogenic CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)CC1 257300535 RUQRWTJQLMENBS-ZVZYQTTQSA-N 358.486 2.333 0 40 FEAB Cc1cccnc1Nc1nccnc1C1CCN(CC(=O)N(C)C)CC1 257253758 KAEQYWPVNXQILC-UHFFFAOYSA-N 354.458 2.191 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 257283411 OYEZZTOKFLOIKA-AWEZNQCLSA-N 350.430 2.421 0 40 FEAB Cn1ccnc1CN1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 257274372 NKTKWNNMDZPNNP-MRXNPFEDSA-N 363.425 2.195 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2cccnc2)C1 257255019 KFUBKAGYIPUGJL-INIZCTEOSA-N 351.406 2.471 0 40 FEAB C[C@@H](C(=O)N1CCC(Cn2ccnn2)CC1)n1ccc2ccccc2c1=O 280915726 FYDUQIDQUMQTOK-HNNXBMFYSA-N 365.437 2.093 0 40 FEAB CCC[C@H](O)[C@H](CO)NC(=O)CCCc1cccc(Br)c1 665642863 ONDXFHHLVYWHPX-GJZGRUSLSA-N 358.276 2.410 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](OC)c2ccccc2C)cc1 96105154 ROXFHGMYNSZEEZ-QGZVFWFLSA-N 370.405 2.224 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H]3OCCN(Cc4cccnc4)[C@@H]3C2)c1 585107708 DLEDCDBZMIUMHV-WOJBJXKFSA-N 351.450 2.424 0 40 FEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)C(C)(C)n2cncn2)C1 585275677 FZJMGRZDFVBYHI-LJQANCHMSA-N 358.442 2.018 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cccnc2)on1 585098298 VSGCECOGBOFDKZ-HNNXBMFYSA-N 353.382 2.068 0 40 FEAB O=C(c1n[nH]cc1Cl)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 585276608 OFJSNCSPKAZSOK-INIZCTEOSA-N 353.781 2.248 0 40 FEAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)C1(F)CCC1)c1ccccc1 585108241 BZZJWWWUWQDKJK-BBWFWOEESA-N 360.429 2.315 0 40 FEAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 13960292 HKGFAMQWXBOYHV-DJBIQUGXSA-N 361.419 2.080 0 40 FEAB COc1ccc(-c2ccc(CN3CCn4c(CO)nnc4C3)cc2)cc1 19558360 YXIBLAJAUAQEMU-UHFFFAOYSA-N 350.422 2.462 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1C 19931344 XGAYZGBOILWEAE-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB O=C(O[C@H]1CCN(c2nccs2)C1)N1CC[C@H](n2cc(C3CC3)nn2)C1 390832259 YGHPKIMGPGPKEG-KBPBESRZSA-N 374.470 2.274 0 40 FEAB O=C(O[C@@H]1CCN(c2nccs2)C1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390832262 YGHPKIMGPGPKEG-ZIAGYGMSSA-N 374.470 2.274 0 40 FEAB Cc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 5874521 DDGKNJSCNZXVNG-AWEZNQCLSA-N 372.421 2.282 0 40 FEAB O=C1CN(C(=O)CSc2nnc(-c3cccnc3)o2)c2ccccc2N1 6100117 IQVDZAMDKZAIGR-UHFFFAOYSA-N 367.390 2.209 0 40 FEAB C[C@@H](C(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1)n1cccn1 1888853724 YXOZCMRSEBEFOD-GJZGRUSLSA-N 357.458 2.459 0 40 FEAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)c3c(F)cccc3F)[C@@H](C)C[C@H]21 1775964307 DCQOZAPANFJCNK-BCUIYNNISA-N 366.408 2.214 0 40 FEAB biogenic,in-vitro CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)c1F 244909658 APGMJFONJCZSBR-LLVKDONJSA-N 371.372 2.455 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)c(C)n1 2037909158 ZBBWLTGLJZGQIS-IBGZPJMESA-N 359.401 2.279 0 40 FEAB COc1cc([C@H]2C[C@@](O)(C3(O)CCCCC3)ON2)cc(OC)c1OC 78547010 ZDVFVGCGQOMJDF-ACJLOTCBSA-N 353.415 2.062 0 40 FEAB CCOC(=O)CC1=Nn2c(nnc2-c2cc(OC)cc(OC)c2)SC1 6668667 VTRAZFYNCSVERG-UHFFFAOYSA-N 362.411 2.225 0 40 FEAB CCOC(=O)Cn1nc(C(C)C)c2cnn(-c3ccc(F)cc3)c2c1=O 12229009 BWVNHWXFLZPKOF-UHFFFAOYSA-N 358.373 2.408 0 40 FEAB Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCN(C)CC2)cc1 22579277 WAAOWWKXNDVTIY-FQEVSTJZSA-N 373.522 2.262 0 40 FEAB Cn1cc(-c2cncc(N3CCN(c4cnc5ccccc5n4)CC3)n2)cn1 2298236449 YTCSVYPNJSQWKY-UHFFFAOYSA-N 372.436 2.147 0 40 FEAB CCN(CC)[C@H](C)CNC(=O)N1CCN(c2cccc(Cl)n2)CC1 79982038 FQKVTWQIIAIPFQ-CQSZACIVSA-N 353.898 2.297 0 40 FEAB Cn1cc(Cl)cc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 40069372 UNZXWVNQEKGAGU-UHFFFAOYSA-N 352.866 2.479 0 40 FEAB O=C(CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1)Nc1ccccn1 40154447 JFRIGXBPCMFLTH-UHFFFAOYSA-N 353.357 2.369 0 40 FEAB CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885922 BJLOPVKFECOISX-IKVWTGGYSA-N 355.434 2.354 0 40 FEAB aggregator CC(C)CNC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547712 BSSIKULXBWYYGG-UHFFFAOYSA-N 359.401 2.429 0 40 FEAB CCOc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)cc1 1014249 RYOGLUJKNXVFKZ-GOEBONIOSA-N 350.415 2.252 0 40 FEAB biogenic Cc1ccc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2c1 101919620 UETTYXPGSJFIKN-TXEJJXNPSA-N 355.419 2.494 0 40 FEAB Cc1cc(C)cc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 8335595 CRUFQADXFPDJNS-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051076 OQGIVRGTNJQMSR-UHFFFAOYSA-N 353.465 2.301 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)Cn1ncc(=O)c2ccccc21 103322881 QXKDSUHDXJMXBO-VNHYZAJKSA-N 356.426 2.047 0 40 FEAB Cc1cccc(CCC(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 42267936 SWJVFQDYVOBZLH-UHFFFAOYSA-N 361.419 2.204 0 40 FEAB COCCNC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354224 ALDICFBDBVPHOG-UHFFFAOYSA-N 351.406 2.307 0 40 FEAB O=C(Cc1cn2ccsc2n1)N1CCN(CCOc2ccccc2)CC1 23641921 NLDSSEVSOIONTQ-UHFFFAOYSA-N 370.478 2.162 0 40 FEAB Cc1nc(S(=O)(=O)[C@H](C)C(N)=O)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107493602 DUODPSKFBLZYGA-MRLBHPIUSA-N 353.488 2.145 0 40 FEAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 12534626 KNTIILQITZJJAH-UHFFFAOYSA-N 374.462 2.277 0 40 FEAB Cc1ccc2nc(C)c(C(=O)NCCn3nc4ccccn4c3=O)cc2c1 58174591 DJMWXNLZOKZVSM-UHFFFAOYSA-N 361.405 2.091 0 40 FEAB O=C(NCc1cn2cc(Br)ccc2n1)c1ccc2nncn2c1 58263964 WMZWZTFBGXNXEA-UHFFFAOYSA-N 371.198 2.070 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nnc2n1CCCCC2 45057491 AWGWWOFTQLDPPM-KRWDZBQOSA-N 373.457 2.011 0 40 FEAB CCOC(=O)[C@@](NC(=O)NCc1ccc(F)cc1)(OCC)C(F)(F)F 2311339 MGLKMINJYMQSHL-CQSZACIVSA-N 366.311 2.483 0 40 FEAB Cc1cc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)no1 4164763 NDIXHUNJTNTMPY-UHFFFAOYSA-N 360.366 2.257 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1 6098359 ITPGQWCFQDSQHT-UHFFFAOYSA-N 373.482 2.437 0 40 FEAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 6085007 PSRVKCSAJQSGQZ-GOSISDBHSA-N 350.422 2.106 0 40 FEAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1C1CC1 5215997 WOQRUHDKZRFCKL-UHFFFAOYSA-N 358.419 2.467 0 40 FEAB CC(C)CNC(=O)CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14095165 OSMWPJLQORXMHW-UHFFFAOYSA-N 365.346 2.276 0 40 FEAB COC(=O)COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 408901966 DADIOQDPBJEMPB-YBEGLDIGSA-N 366.398 2.009 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(N2CCCC2=O)c1 14161805 AVDQKXFDRJYLGQ-UHFFFAOYSA-N 362.389 2.231 0 40 FEAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C1=O 409071407 RFRNBPNIOOLEGO-MDWZMJQESA-N 351.380 2.303 0 40 FEAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)C(N)=O 8488482 ZHKRJGJJOBMXNY-GXSJLCMTSA-N 367.858 2.195 0 40 FEAB CCc1nnc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)s1 8751489 NVZVNNWYZABSCR-SECBINFHSA-N 366.468 2.063 0 40 FEAB Cn1nc(C(=O)NCCCn2cnc3ccccc32)c2ccccc2c1=O 9379328 APNRMLLVUJUIDD-UHFFFAOYSA-N 361.405 2.103 0 40 FEAB COC(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 9446961 UOKXDZQCULUQGF-UHFFFAOYSA-N 351.362 2.281 0 40 FEAB O=C(Nc1nnc(C2CCCCC2)s1)NC1CCS(=O)(=O)CC1 72311268 ZRYKBIZQQKXNKO-UHFFFAOYSA-N 358.489 2.285 0 40 FEAB COC(=O)CCCN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 78760617 HNILINXMHFNKBN-UHFFFAOYSA-N 362.470 2.115 0 40 FEAB NS(=O)(=O)c1cnn(-c2ccc(NCc3ccc(Cl)cc3)cn2)c1 95464181 QDUXMLAWEDGCMQ-UHFFFAOYSA-N 363.830 2.180 0 40 FEAB O=C(Nc1ccccc1F)N1CCN(c2nnnn2-c2ccccc2)CC1 31661891 QWKNOYFURZYOJC-UHFFFAOYSA-N 367.388 2.156 0 40 FEAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1 409128260 HWIKOEAXWWQVQI-GXDHUFHOSA-N 365.407 2.311 0 40 FEAB CCCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217544369 NTWMWCCZAIBMRY-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3OC)on2)CC1 32830267 TWWJDTOTVXYPOL-UHFFFAOYSA-N 359.382 2.265 0 40 FEAB CS(=O)(=O)C(Br)(Br)C(=O)c1ccccc1 39476349 RZIPAFVZQXOKBF-UHFFFAOYSA-N 356.035 2.358 0 40 FEAB NCC1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218550912 CAUHBBBAZUMRKN-JKSUJKDBSA-N 368.861 2.323 0 40 FEAB Nc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 222645651 NFQNQZYGKVCCLS-SECBINFHSA-N 358.876 2.342 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@]2(CCC[C@@H](CN3CCOCC3)O2)C1 96209202 VWSPOMFSBYWYAP-GHTZIAJQSA-N 358.482 2.481 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253420 FATUDOIQBWCHDB-ZIFCJYIRSA-N 355.438 2.197 0 40 FEAB CCc1noc(C)c1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257214119 CKPARCFCAGHVAB-UHFFFAOYSA-N 355.398 2.314 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)cc1 257308210 TVVVTHKJGSCOOD-HXUWFJFHSA-N 358.482 2.475 0 40 FEAB CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cc1ccccc1S(C)(=O)=O 585081228 RMWLNMFRGDFMHB-UHFFFAOYSA-N 363.483 2.312 0 40 FEAB CNc1cc([C@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)nc(C)n1 257298737 RNBXKCIBLLKRQO-OAHLLOKOSA-N 354.414 2.157 0 40 FEAB COc1ccc2[nH]cc(CC(=O)NCc3nnnn3-c3ccccc3)c2c1 593069848 OMJLWFHIVRPBQX-UHFFFAOYSA-N 362.393 2.011 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1)C2 630658724 OMTFYRDDOYHBDC-MSOLQXFVSA-N 358.438 2.050 0 40 FEAB COC[C@]1(C(=O)O)CCN(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 635515215 TTYUETKVMLTVOE-FIKGOQFSSA-N 372.465 2.313 0 40 FEAB Cc1noc(C)c1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644325932 CIVHLJMSMQOTQK-HXUWFJFHSA-N 357.454 2.325 0 40 FEAB O=S(=O)(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1CCOC1 657152170 KQENTEVGORNVAH-AWEZNQCLSA-N 374.300 2.480 0 40 FEAB O=C(c1ccc2[nH]cnc2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377545 UDBVFMZNQQNROH-UHFFFAOYSA-N 359.382 2.000 0 40 FEAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccco1 390829260 XWHIKTJRYJVMLX-UHFFFAOYSA-N 356.367 2.080 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)n1 585104659 KNMLXPBIFCXAFT-HNNXBMFYSA-N 358.467 2.040 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)[C@H](C)C2 666369520 DTWZPBDEGZXKJM-CXUGXGMPSA-N 350.484 2.493 0 40 FEAB O=C(NCC[C@H]1CCOC12CN(Cc1ccccn1)C2)C1CC(F)(F)C1 585103222 SGRNUMMCMZLJIK-HNNXBMFYSA-N 365.424 2.224 0 40 FEAB O=C(NC[C@H]1CCOC1)c1cnn(-c2ccc(Br)cc2)c1 44519800 BQPQFKJEUIWWLL-LLVKDONJSA-N 350.216 2.401 0 40 FEAB C[C@@H]1[C@H](C(=O)N2CCC(c3ncc(C(N)=O)[nH]3)CC2)[C@H]1c1ccccc1 685943644 ZTVKPALXCVFKMY-VUCTXSBTSA-N 352.438 2.264 0 40 FEAB NC(=O)NCc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 57358733 OUEOLWINQDRTET-UHFFFAOYSA-N 372.856 2.471 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 75109597 MTVPHICHQGDLGZ-LBPRGKRZSA-N 351.346 2.325 0 40 FEAB O=C(CCOC[C@@H]1CCCO1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004489 FLNAMRCQYVCOGY-KRWDZBQOSA-N 373.428 2.482 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 630099036 WYTLSGKGPSMIKF-OUCADQQQSA-N 357.328 2.492 0 40 FEAB O=C(NCc1ncccn1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595773 LXYKKHIPJUEGBB-UWVAXJGDSA-N 364.449 2.185 0 40 FEAB Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4cscn4)C[C@H]31)N2 12086327 ATYRYLOGYFIQDZ-CFZJUORYSA-N 368.462 2.485 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c1n2C 12183596 IWGBOGBGHBUPQM-TXEJJXNPSA-N 356.426 2.294 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NC(C)(C)C)nc2-c2ccco2)on1 12251573 IPRZZXMZJVZBFB-UHFFFAOYSA-N 356.382 2.381 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 14095121 ASHBBJSHYFVIFN-LBPRGKRZSA-N 373.434 2.315 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 16042235 FXJBQVPHCGXDSM-OAHLLOKOSA-N 356.378 2.364 0 40 FEAB biogenic C[C@H](NC(=O)c1ccc2ccccc2n1)c1cc(=O)[nH]c(N2CCCC2)n1 19458342 LKHZJKKKDWYWFF-ZDUSSCGKSA-N 363.421 2.409 0 40 FEAB CCCc1ccc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)o1 19525480 BPEQGNUBHJLEOJ-UHFFFAOYSA-N 372.469 2.165 0 40 FEAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1nonc1N 19590190 FRDQLGASBZYCRZ-BFYDXBDKSA-N 355.442 2.134 0 40 FEAB COc1ccccc1/C=C/CN1CCC[C@H](c2nnc3n2CCNCC3)C1 19709241 VSWSGHBQXKJXJX-UKTKYZJWSA-N 367.497 2.325 0 40 FEAB Cc1cccn2c(=O)c(C(=O)N(C)CCOc3ccc(F)cc3)cnc12 19714722 BANUWGAHHYJSSK-UHFFFAOYSA-N 355.369 2.293 0 40 FEAB CC(C)n1c([C@@H]2CCCN(CC(=O)N3CCNC3=O)C2)nc2ccccc21 19715549 UTKVKKGWIJLTMY-OAHLLOKOSA-N 369.469 2.348 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)n2)c1 169680733 UURGZRGMLCCRKB-INMHGKMJSA-N 365.433 2.247 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 9419004 ZIBLVJPAVSRSNK-NYUBLWNDSA-N 361.401 2.002 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4nnc(C)s4)CC3)cnc2c1 1889151724 IIBJJJDPTWVVOX-UHFFFAOYSA-N 371.466 2.482 0 40 FEAB C[C@H]1COCCN1CCN1C(=O)N[C@@H](c2cccc3ccccc23)C1=O 1262199573 SNYLHDJDNXNSFZ-KSSFIOAISA-N 353.422 2.153 0 40 FEAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2c(cnn2C)c1=O 22278986 IVNBOQLHWAYKLC-OAHLLOKOSA-N 367.453 2.347 0 40 FEAB O=C(OCc1nc(-c2cccs2)no1)c1ccc(N2CCOCC2)nc1 22284643 ISYHRNXBPZJDEH-UHFFFAOYSA-N 372.406 2.387 0 40 FEAB CCn1nc(C)c(CN2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)c1C 2037984164 RYTFGWYQHIFUJD-SFHLNBCPSA-N 368.481 2.003 0 40 FEAB CC(C)c1nccc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086928087 WLIKIERMFZMRTH-CYBMUJFWSA-N 354.401 2.063 0 40 FEAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 2711060 MSDLDRZUHBRPKG-ZIAGYGMSSA-N 352.431 2.101 0 40 FEAB CCS(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 4553834 OZPYYADQIFWDCY-AWEZNQCLSA-N 359.494 2.202 0 40 FEAB O=C1C[C@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@H]2CO[C@@H]1O2 6670382 NIKGNGJPFJMWDQ-NUEKZKHPSA-N 354.391 2.207 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 8844932 XOEDEDGWWRTAEH-LJQANCHMSA-N 371.368 2.240 0 40 FEAB CCOc1ccccc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 17315832 IBRACNFHTOMWTB-UHFFFAOYSA-N 359.336 2.269 0 40 FEAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(OC)c1OC 28712102 IMPJTZLNTHLEFA-CQSZACIVSA-N 357.366 2.112 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCCn1cc(-c2ccco2)cn1 575615308 NKPWADIDQNSNAF-UHFFFAOYSA-N 373.434 2.123 0 40 FEAB CCC(CC)[C@@H](CNC(=O)c1cc2ccccc2[nH]c1=O)N1CCOCC1 40051066 QYQTVBXZIOPNEK-LJQANCHMSA-N 371.481 2.395 0 40 FEAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1-c1ccccc1Cl 100750669 ZGZVEJMSZMWYHP-INIZCTEOSA-N 369.808 2.120 0 40 FEAB biogenic O=C(Cc1cnc(-n2cccc2)s1)N1CCN(c2ccccn2)CC1 20745144 FCVFZOGNEREQTF-UHFFFAOYSA-N 353.451 2.220 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC)cc3)ccc21 4969074 NMMDLQVSFXJJJC-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccc(F)cc2s1 101815036 VISNWTHWMPCRQU-QWRGUYRKSA-N 359.382 2.325 0 40 FEAB Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 6725853 XWGBYGURAIRZEZ-HCXYKTFWSA-N 354.450 2.162 0 40 FEAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NC1CC1 7318293 RHVZGZHZIDURHO-UHFFFAOYSA-N 357.483 2.234 0 40 FEAB Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)c2c(O)nn(C)c2n1 32710498 BGFUBTXJLCLLMK-UHFFFAOYSA-N 360.801 2.445 0 40 FEAB CCCc1nc(CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cs1 32778590 GWJBPYNOKDFLHK-SNVBAGLBSA-N 372.541 2.419 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3NS(C)(=O)=O)ccc21 57672968 AUFFRRMHAPKEFX-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102015285 RCWKFRDWFNFKGV-QAETUUGQSA-N 369.396 2.354 0 40 FEAB CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC[C@H]3C(=O)OCC 626309 NPXAEXGJOUPWRT-SNVBAGLBSA-N 364.423 2.384 0 40 FEAB C[C@@H]1Cc2cc(C(=O)Nc3cccc(CO)c3)ccc2N1S(C)(=O)=O 8032073 ZFPQTXOPJFURRE-GFCCVEGCSA-N 360.435 2.142 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)c2cnn3c(C)cc(C)nc23)oc1C 23110148 WNTFTWIASWXDDU-UHFFFAOYSA-N 356.382 2.306 0 40 FEAB CSc1nnc(C)n1NC(=S)NC(=O)Cc1ccc(Cl)cc1 107699900 LDKHJQIUWWYVRG-UHFFFAOYSA-N 355.876 2.149 0 40 FEAB S=c1scnn1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 24465252 UKBJNIKTKSSEFY-UHFFFAOYSA-N 364.496 2.221 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)CC1 100748604 MKLIOWOSAYQRBE-MAEOIBBWSA-N 372.513 2.376 0 40 FEAB COC(=O)c1c(NC(=O)CN2CCO[C@@H](C)C2)sc2c1CCCC2 24634926 IAPQUUHEMMBEGZ-NSHDSACASA-N 352.456 2.073 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NC[C@@H]1CCN(c2ccccc2)C1 24816041 YMQMEVMNUDQXQA-HNNXBMFYSA-N 355.413 2.198 0 40 FEAB Cc1nc2ccc(N[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2s1 12517069 PNKIIPXCEVLTNA-ZWNOBZJWSA-N 367.496 2.051 0 40 FEAB CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1 25378215 JQWPINYJOFFUHU-OAHLLOKOSA-N 358.446 2.093 0 40 FEAB COc1cc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1NC(C)=O 56162581 PAGWYPSPZKVJOQ-SNVBAGLBSA-N 350.419 2.078 0 40 FEAB O=c1/c(=C/c2cccs2)sc2nc([C@H]3COc4ccccc4O3)nn12 27020749 CUOUWNARCFJHRH-HRYODUOUSA-N 369.427 2.273 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 8116405 RNYOQXLXPUTYOT-IBGZPJMESA-N 366.417 2.262 0 40 FEAB CC[C@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 2099083 NNRKEKIDBFYMDE-NSHDSACASA-N 352.456 2.384 0 40 FEAB biogenic COc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)ccc1N1CCCC1=O 10185149 VCNDQKHOONWJKL-JTQLQIEISA-N 359.348 2.301 0 40 FEAB NCC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 36296709 LQZLQRUJGQKFED-UHFFFAOYSA-N 367.696 2.462 0 40 FEAB Cc1cc(C)n2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nnc2n1 3339093 YBLGWTYFMQOPIC-UHFFFAOYSA-N 357.395 2.170 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1C 408622440 NQBSJPZNOAMDFH-CQSZACIVSA-N 354.472 2.073 0 40 FEAB O=C1C[C@H](C(=O)OCc2cc(=O)n3ccccc3n2)c2ccc(F)cc2N1 12947161 FPXDTXJFNIBLTE-AWEZNQCLSA-N 367.336 2.003 0 40 FEAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(C)oc1C 13021726 NEMUKTRYPGVUSE-UHFFFAOYSA-N 357.410 2.486 0 40 FEAB C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)N(C)C(=O)N(C)C1=O 16957122 VWFVWDKSWMXPKS-IOASZLSFSA-N 355.438 2.130 0 40 FEAB Cc1ccccc1-n1nnnc1SCc1nnnn1-c1ccccc1 8314874 HPRFYXVGWOBCPL-UHFFFAOYSA-N 350.411 2.239 0 40 FEAB COc1ccc(OC)c(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)c1 6087192 WGHMKAQMHZPZNJ-UHFFFAOYSA-N 374.422 2.374 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)NCCc1ccc(F)cc1 5035163 YJLFENNNISAXQY-UHFFFAOYSA-N 357.414 2.252 0 40 FEAB CN(C(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13733792 GSJNSQFMTIRBGN-OAHLLOKOSA-N 373.478 2.398 0 40 FEAB O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)c2ccccn2)CC1 75567211 UHNPLKIJGZRLTP-UHFFFAOYSA-N 353.422 2.107 0 40 FEAB CCC(=O)c1ccc(OCC(=O)NCCc2nnc3n2CCCCC3)cc1 14113177 XJAQKKFMNONBLJ-UHFFFAOYSA-N 370.453 2.335 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1 4581812 RDGRWLAYQABUSL-UHFFFAOYSA-N 359.378 2.310 0 40 FEAB C[C@H]1CN(CN2C(=O)C(=O)c3c(Br)cccc32)C[C@@H](C)O1 14201151 BMSGDBRIJCEWRX-AOOOYVTPSA-N 353.216 2.045 0 40 FEAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@@H](C)O1 5930555 QZSPCUHRAOVRIO-OWCLPIDISA-N 365.905 2.486 0 40 FEAB Cc1cc(=O)c(C(=O)Nc2cccc(C(N)=O)c2)nn1-c1ccccc1F 15603910 RYKDRIDARNCQCZ-UHFFFAOYSA-N 366.352 2.031 0 40 FEAB COC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 15791186 TWSYGULWSOCWPL-GFCCVEGCSA-N 366.414 2.391 0 40 FEAB CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1n[nH]c(N)n1 9703882 INBIMTJPYPQFQJ-UHFFFAOYSA-N 361.383 2.041 0 40 FEAB COCCn1nnc2ccc(NC(=O)CCCc3ccccc3)cc2c1=O 96231600 GYOZZICBMWJOIU-UHFFFAOYSA-N 366.421 2.399 0 40 FEAB Cc1c(C(=O)Nc2cccc(S(N)(=O)=O)c2)cnn1-c1ccccc1F 27399259 DMNREESKZYHDPI-UHFFFAOYSA-N 374.397 2.220 0 40 FEAB CC(C)(C)Oc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cn1 95993847 ONGGIKKWDXTUGD-UHFFFAOYSA-N 355.442 2.401 0 40 FEAB O=C1COc2cc(C(=O)OCc3nnc(-c4ccccc4)o3)ccc2N1 22258991 NIIUAPBRBFUIEO-UHFFFAOYSA-N 351.318 2.425 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccncc1 61719691 QMUXYDSOKYMEJI-AWEZNQCLSA-N 371.416 2.080 0 40 FEAB CN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 60494968 MMPBKSVTHVHFKN-INIZCTEOSA-N 352.500 2.066 0 40 FEAB CCn1cc([C@H]2CN(C(=O)Cc3noc4ccc(F)cc34)CCO2)cn1 517537550 ANCNUNQKQOADLR-QGZVFWFLSA-N 358.373 2.326 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217530246 SEOSSTRBBVBOBF-NSHDSACASA-N 356.444 2.053 0 40 FEAB COc1ccccc1N1CCN(c2ccc(N)cc2C(=O)NC2CC2)CC1 35192728 PLKZEGTXKAQROU-UHFFFAOYSA-N 366.465 2.496 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NCC[C@@H](O)c3ccco3)CC2=O)cc1C 77111348 VPAQLOLOQBYEFW-NVXWUHKLSA-N 356.422 2.489 0 40 FEAB COC(=O)[C@@H](Cc1ccc2c(c1)OCCO2)NC(=O)OCc1ccccc1 39320679 MZOKZVPDGZZULN-MRXNPFEDSA-N 371.389 2.468 0 40 FEAB NC[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058439 XDSNOFOTBQUVAA-HLLBOEOZSA-N 365.838 2.309 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CCc1ccccc1 62021496 PRDBEKCYXRDOSR-NRFANRHFSA-N 370.449 2.442 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(Br)o1 224198738 CNJSTIAFERNLGQ-UHFFFAOYSA-N 351.204 2.362 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@]2(COCCN(c3cccc(F)c3)C2)C1 96228988 VIUXFFMLHPCOKF-LJQANCHMSA-N 358.417 2.308 0 40 FEAB O=C(c1ccoc1)N1CCC[C@]2(C(=O)O)CN(c3ccccn3)C[C@@H]2C1 96185222 MBTRLKBMEQQKBS-KXBFYZLASA-N 355.394 2.118 0 40 FEAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1O 95478368 AMGFBXXOYLTEDL-LBPRGKRZSA-N 359.382 2.366 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)no1 96106759 SHKLJVKJFXKFCA-MRXNPFEDSA-N 357.410 2.359 0 40 FEAB CN(C)C(=O)N1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 96267149 WTLXXLZKHKPVFO-UHFFFAOYSA-N 367.457 2.230 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)on1 96208551 IWZOBQOZTRUMBL-LPHOPBHVSA-N 357.410 2.359 0 40 FEAB COc1cc(C(=O)N2CCC(C(=O)NC(C)C)CC2)cc(OC)c1OC 243786569 QIISTQXPUYRFCJ-UHFFFAOYSA-N 364.442 2.089 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@@H](CNC(=O)c3cccn3C)CO2)C1 248128511 MMACAZGKZXIMAP-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(COc3ccc(F)cc3)on2)[C@H]1O 257267033 MFROACIDTONLKL-DJIMGWMZSA-N 364.373 2.051 0 40 FEAB O=C(CCCn1ccnc1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257200451 ADJWPYCJXGTAJS-HNNXBMFYSA-N 354.414 2.165 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 257224156 FANOMFONZCEGGX-INIZCTEOSA-N 350.378 2.253 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)cn1 257336996 YQXVSPRDAGHDDM-HNNXBMFYSA-N 366.425 2.036 0 40 FEAB Cc1nccc(C(=O)N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 257279626 OHLIRNMSDBPTNN-ICSRJNTNSA-N 353.422 2.375 0 40 FEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br 262682175 TUWAWMJAUZZJEF-JTQLQIEISA-N 366.208 2.216 0 40 FEAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 267608055 KJVCQYRTTKLCHN-HFXCSBFXSA-N 351.394 2.098 0 40 FEAB Cn1cnc(CCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 655666391 CJTYAXRHSPEHSG-OAHLLOKOSA-N 353.430 2.171 0 40 FEAB Cc1cc(C)cc(C[C@H](C)NC(=O)[C@H](C)n2cnc3c(N)ncnc32)c1 669253362 YCMCFDINACCYDV-KBPBESRZSA-N 352.442 2.334 0 40 FEAB COc1cc(C)cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)c1O 680614226 YBSHEMQORAFAPD-KRWDZBQOSA-N 354.406 2.331 0 40 FEAB O=C(CCc1cccs1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 685834691 RYMZRULUPPGESV-HNNXBMFYSA-N 364.492 2.292 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCCc3nc(O)ccc32)[nH]n1 298878442 QORZVGHCKMFPGA-CQSZACIVSA-N 366.425 2.335 0 40 FEAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ncccc1N(C)C 615030208 PKAJBPOIILCAHN-RHSMWYFYSA-N 357.458 2.148 0 40 FEAB C[C@H]1CN(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC[C@@H]1C(=O)O 626760086 DFBUPALCLXJWLO-WFASDCNBSA-N 362.430 2.032 0 40 FEAB Cc1cc(C2(C(=O)Nc3cccc(OCC(=O)O)c3)CCOCC2)on1 630135139 IRZGMVFZNZABGE-UHFFFAOYSA-N 360.366 2.133 0 40 FEAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)OCCO)cc1 96338211 IMIOWAOMCPZXJG-IBGZPJMESA-N 370.449 2.417 0 40 FEAB CCOCC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575403842 KUMNCSXHRHSMRE-QGZVFWFLSA-N 362.470 2.423 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)CN(Cc1ccoc1)C2 585110909 YLYBEYNKWCWLKR-HNNXBMFYSA-N 356.451 2.490 0 40 FEAB O=C1C[C@]2(COCCN(Cc3ccccc3)C2)CN1Cc1cncs1 585103607 DZCNLGHXCBYCQJ-LJQANCHMSA-N 357.479 2.394 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]2CN2CCOCC2)cnn1-c1ccccc1F 80920789 WYKVRFFIUPYGMR-INIZCTEOSA-N 372.444 2.257 0 40 FEAB CCn1ncc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1C 12225269 CWYCRKAOLFILFG-UHFFFAOYSA-N 368.437 2.009 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 12228565 HOSZTZWPMKAAER-MRXNPFEDSA-N 354.435 2.108 0 40 FEAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)c1ccccc1 12789013 UXONJWBETROGSI-SUMWQHHRSA-N 353.374 2.363 0 40 FEAB CCN(CC)CCCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 13536135 YPKHBFCRARBOHQ-UHFFFAOYSA-N 368.481 2.438 0 40 FEAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3cccs3)[C@H]2C1 19446602 PEWDOJGXPJHYBG-KGLIPLIRSA-N 356.513 2.406 0 40 FEAB CCc1nccn1C[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 19523557 TUFAOBRNTMHCCU-OAHLLOKOSA-N 372.444 2.205 0 40 FEAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[nH]2)c1 19555453 OEMHMCCVIBSFFK-MRXNPFEDSA-N 371.437 2.310 0 40 FEAB COCCOc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19593805 HUCXPBSFYDONOQ-FQEVSTJZSA-N 368.481 2.485 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)CCN2CCCCCC2)CCO1 19747620 DJXNRFUGCGCZFB-SFHVURJKSA-N 359.470 2.119 0 40 FEAB Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)ncc1C(=O)N1CCCCC1 19765548 ZTWDYSGGHQIYPF-KRWDZBQOSA-N 373.501 2.026 0 40 FEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 7056151 IWSGPLBOLQDHOH-UHFFFAOYSA-N 361.242 2.410 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)N1CCCCCC1 4306469 NMGQIEKQKPUBPP-UHFFFAOYSA-N 353.469 2.293 0 40 FEAB CC(C)c1ccsc1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 641666794 KSVGDLZPGBRYRH-MRXNPFEDSA-N 365.543 2.398 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889211952 JCNFSJUNMRCUIX-UHFFFAOYSA-N 366.468 2.274 0 40 FEAB O=C(Cc1ccc(F)cc1)NCC1(N2CCOCC2)CCSCC1 1776009812 RVGOFUQBCBTURG-UHFFFAOYSA-N 352.475 2.082 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984967 UAKFCAPCSDRBNJ-AEFFLSMTSA-N 365.433 2.284 0 40 FEAB Cn1cnc2c(NC[C@@H]3CN(Cc4ccccc4)CCCO3)ncnc21 683196147 UZXPALFZYYWGGA-MRXNPFEDSA-N 352.442 2.066 0 40 FEAB Cn1c(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)cccc1=O 1565553134 LHQUVEIGYSMDQD-UHFFFAOYSA-N 366.446 2.145 0 40 FEAB COC(=O)C[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(OC)c(OC)c1 4751476 SUCOMIFIMIQSRV-IAQYHMDHSA-N 350.367 2.076 0 40 FEAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)C(=O)Nc1ccc(F)cc1F 9708584 BRSTWYUJQVJAKV-UHFFFAOYSA-N 371.343 2.377 0 40 FEAB O=S(=O)(Cc1cc(F)ccc1F)N1CCC[C@H](Oc2cnccn2)C1 225477759 GVOLSERPYBUZFN-AWEZNQCLSA-N 369.393 2.128 0 40 FEAB CC(C)Cc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1 2314852 GEWJANZJBCIEPJ-UHFFFAOYSA-N 362.411 2.402 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2C1=O 32666051 ZXAOUYVZTOHEMZ-UHFFFAOYSA-N 363.373 2.292 0 40 FEAB COC(=O)Cn1/c(=N\C(=O)c2cc(C)no2)sc2cc(F)cc(F)c21 101315306 VHLJGQZCHIJJPI-OBGWFSINSA-N 367.333 2.192 0 40 FEAB CC(C)C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 40033793 RXTFFGGZPDBCNI-KRWDZBQOSA-N 367.453 2.424 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 40145387 KQCPOWOIELUTAB-OAHLLOKOSA-N 359.430 2.227 0 40 FEAB C[C@H]1c2ccc(F)cc2CCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101209223 BUTMOYRGIUMCNU-WTPVCQSKSA-N 368.408 2.079 0 40 FEAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(C(C)(C)C)c1=O 20611875 FXPRZMZRIVWHDM-INIZCTEOSA-N 368.437 2.056 0 40 FEAB biogenic O=C(O)c1cccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1 3653686 CJBBGEIKIUQFMS-UHFFFAOYSA-N 351.361 2.354 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 6954672 QJFCGPNMCHDBBF-NTUHNPAUSA-N 351.380 2.303 0 40 FEAB O=C(COC(=O)CCCOc1ccccc1)NC(=O)Cc1ccccc1 7980641 ZVODGNBQERIYGS-UHFFFAOYSA-N 355.390 2.274 0 40 FEAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1Nc1cccc(F)c1 52427602 CIZFTTLKZLLMPS-LBPRGKRZSA-N 363.414 2.129 0 40 FEAB CCOC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 8097771 DIZIWCBKYMSQEP-UHFFFAOYSA-N 365.389 2.291 0 40 FEAB O=C([C@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F)C(F)(F)F 8941492 KLEHINJTODMJFT-FYBVGQRMSA-N 372.290 2.204 0 40 FEAB O=C(CNC(=O)c1ccco1)NCc1ccnc(OCc2ccccc2)c1 32930387 MEQBMKGWMJAZHX-UHFFFAOYSA-N 365.389 2.300 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC2C[C@@H]3CC1C[C@@H](C2)C3 102771962 VSJRQGRBYWYPCC-NUWOQIAWSA-N 362.495 2.392 0 40 FEAB CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CC1(CS(C)(=O)=O)CC1 517833101 QZXWCOODMBDOQV-INIZCTEOSA-N 364.511 2.111 0 40 FEAB COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2c1cccc(OC)c1 9477673 AZLJXLMRDYZNLA-FQEVSTJZSA-N 366.373 2.352 0 40 FEAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(C)CC3)c(O)n2n1 22458956 UTNSYSHBCDRBIQ-CQSZACIVSA-N 361.446 2.281 0 40 FEAB Cc1nc(CCNC(=O)CCn2cnc3c(C)cccc3c2=O)cs1 22761711 MNZNWDORNRXKQI-UHFFFAOYSA-N 356.451 2.219 0 40 FEAB Cc1cc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)no1 23559634 HVSIUSLGMVMHCR-UHFFFAOYSA-N 370.331 2.124 0 40 FEAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 20745122 PAJNGKBTDUWMJS-JTQLQIEISA-N 364.203 2.125 0 40 FEAB CCOC(=O)CCCC[C@H](C(=O)OC)C(=O)[C@@H](C)NC(=O)OC(C)(C)C 22052608 QJOWBWKFPGEJSO-OLZOCXBDSA-N 373.446 2.381 0 40 FEAB in-vitro CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccco3)on2)c1 25239713 HOYULOZCSRIDRE-UHFFFAOYSA-N 361.379 2.236 0 40 FEAB COc1cccc(OCCNC(=O)c2cccc(CN3CCOCC3)c2)c1 68395718 RVFGTTPCZPPJAW-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB CCn1nnc2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)ccc21 12687119 CQRALIHDILJRFI-UHFFFAOYSA-N 359.336 2.098 0 40 FEAB CCOC(=O)N(C)CC(=O)Nc1ccc(CCN2CCSCC2)cc1 58216714 GBRSUXCGFAKAHX-UHFFFAOYSA-N 365.499 2.305 0 40 FEAB COc1cc([C@H]2NCCc3c2[nH]c2ccccc32)ccc1OCC(N)=O 2151351 IHIBEVCEOJFSGU-LJQANCHMSA-N 351.406 2.276 0 40 FEAB biogenic CCC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2117247 RPQIRDLZHBGTDT-ZDUSSCGKSA-N 361.394 2.330 0 40 FEAB biogenic CCn1cnnc1CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58343897 DVWKREAYVFZHPZ-QGZVFWFLSA-N 356.474 2.009 0 40 FEAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 58365153 VIQNLKUNWHCSSN-QGZVFWFLSA-N 354.516 2.343 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc1 48367296 VRHZEYKQEIHBGL-UHFFFAOYSA-N 351.403 2.396 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)N[C@H]1CCc2ccccc21)C(F)(F)F 48366734 VAHSAMSHHZGGEE-BBRMVZONSA-N 353.344 2.364 0 40 FEAB Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@@H](C)c2nnc3ccccn23)c1C 13248794 LGHLJKYWYLIBAZ-LBPRGKRZSA-N 374.422 2.084 0 40 FEAB CNc1nnc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)s1 14085059 GGPREJIBLOBYMO-CYBMUJFWSA-N 374.495 2.311 0 40 FEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cnccn2)CC1 6862054 XMUHIOYSWOOUIV-UHFFFAOYSA-N 372.372 2.006 0 40 FEAB N#Cc1cccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccccc2)c1 15395815 COXQTCKXGIKCQO-UHFFFAOYSA-N 355.419 2.032 0 40 FEAB COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 9112982 GRLNPGSMGHOUJF-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB Cc1ccccc1N(CC(=O)N[C@H]1CCOc2ccccc21)S(C)(=O)=O 7217613 LGQMQOSYXCOEIG-INIZCTEOSA-N 374.462 2.401 0 40 FEAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842461 KBERJDUSPCDQIY-UHFFFAOYSA-N 372.446 2.415 0 40 FEAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccc2c(c1)OCCCO2 16331356 DTMPPVDCZGBEAE-UHFFFAOYSA-N 357.391 2.258 0 40 FEAB Cc1c(O)ccc2c(CSc3nnnn3C[C@@H]3CCCO3)cc(=O)oc12 16411634 QFJIXAJOKWTOBW-LBPRGKRZSA-N 374.422 2.265 0 40 FEAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(C)C)c2cccnc2)cc1 8026732 CNRORWTUFHMJKY-KRWDZBQOSA-N 362.451 2.377 0 40 FEAB CCc1nn(C)cc1CNC(=O)NC[C@H](C)N1CCc2ccccc2C1 93119473 LSJJLJVNSNWMLA-HNNXBMFYSA-N 355.486 2.229 0 40 FEAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C 71282003 ZYUZFFSNWLYWKS-LLVKDONJSA-N 355.398 2.071 0 40 FEAB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1ccccc1N1CCCCC[C@H]12 9344353 MKJXSGXBUAJDHW-JXFKEZNVSA-N 369.490 2.384 0 40 FEAB CCn1c(CNC(=O)Cn2c(=O)oc3ccccc32)nc2ccccc21 83843332 LWCXYEAKBOPUCA-UHFFFAOYSA-N 350.378 2.281 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 97088196 GSOIVFWYAPTFQG-GFCCVEGCSA-N 362.382 2.294 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nccs1 75567567 UAAJHBPJMJZFSQ-ZIAGYGMSSA-N 361.423 2.062 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)N1CC[C@@H](Oc2cccnc2)C1 97137590 SPGXTQAIRSRJKE-CQSZACIVSA-N 359.407 2.206 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3nc4c(s3)CCC4)n2n1 72403155 QKTKDJKWFZUFNM-UHFFFAOYSA-N 358.427 2.040 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]([C@H](C)O)C2)nnn1-c1ccc2ncccc2c1 95431399 IJJRBISZWAKPEQ-GOEBONIOSA-N 365.437 2.357 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc21)N1CC(Cc2ccc(F)c(F)c2)C1 85477075 XFPKPOKBRHHBHF-UHFFFAOYSA-N 357.360 2.309 0 40 FEAB O=C1c2cccn2[C@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccccn1 306138508 RZDQRXIPWIIBLZ-VQTJNVASSA-N 359.433 2.360 0 40 FEAB O=C(c1ccncc1)N1CC[C@H](c2nnn3cc(N4CCCC4)ccc23)C1 306134990 ODZIZANEOJMPKN-INIZCTEOSA-N 362.437 2.354 0 40 FEAB O=C(Nc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1)C1CC1 36743667 GVJILHUVVPNKJF-IBGZPJMESA-N 366.465 2.286 0 40 FEAB O=C(COc1ccccc1F)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72393871 HZXJGJGTPIGFQA-GFCCVEGCSA-N 355.373 2.277 0 40 FEAB Cn1c(=O)cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc21 524734380 ZLUSJKCNKMGWHA-ZDUSSCGKSA-N 356.407 2.494 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c(C)o1 306142253 WURNXYLJKUKDBO-HNNXBMFYSA-N 366.425 2.267 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc(F)cc2)C1(CO)CO 218549657 UFROXKDZTPJNIG-CVEARBPZSA-N 370.829 2.390 0 40 FEAB Cn1cc(/C=C/C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c(=O)n(C)c1=O 32380901 LVLFGIPCOIVULF-FMQWLBJXSA-N 369.465 2.391 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(=O)O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218172833 OQHKJWXXPITCAS-YESZJQIVSA-N 360.387 2.364 0 40 FEAB O=C1CC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](c3cc(C(F)F)[nH]n3)C2)N1 72389760 ADJDLOJPGSLLEN-HZSPNIEDSA-N 374.391 2.336 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 225467812 RVWNVNICSWRJKY-YXJHDRRASA-N 362.495 2.392 0 40 FEAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 224857409 BRESHAMTHGSCOK-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB CN(c1ccc(C(=O)NCCSC2CCCC2)cc1)S(C)(=O)=O 224337484 CDNCJAFPXJFAFL-UHFFFAOYSA-N 356.513 2.488 0 40 FEAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 49544593 GPYWDNZVZAHKOA-LBPRGKRZSA-N 372.406 2.451 0 40 FEAB C[C@@H](C(=O)NCCOc1ccccc1)N(c1ccccc1)S(C)(=O)=O 223703306 GUCVFYSMGZXJHD-HNNXBMFYSA-N 362.451 2.036 0 40 FEAB C[C@H](O)c1ccc(CCNC(=O)C(=O)Nc2ccc(N(C)C)cc2)s1 225689828 VZRVUWTUAJOVLG-LBPRGKRZSA-N 361.467 2.165 0 40 FEAB O=C(c1ccc(F)cc1)N1CCn2nnc(COc3cccnc3)c2C1 96084305 YMRPBIMKDZEWFG-UHFFFAOYSA-N 353.357 2.047 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96157872 KNMUFDBYMNFCIH-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 247305052 GNSZUIOGIVYPAH-INIZCTEOSA-N 373.478 2.363 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc2ncccc12 245227132 BOLBRZWHNIBFRJ-IXIRJBMKSA-N 373.412 2.226 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 253480655 YBELUNVLAPCKRH-HNNXBMFYSA-N 366.425 2.349 0 40 FEAB O=C(NCCO)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257248927 JFVIVRLHJVOHCD-UHFFFAOYSA-N 358.413 2.336 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257241163 HWVWJDFBBOJDIS-MRXNPFEDSA-N 355.394 2.078 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c1 614742348 WPMOWZQMYWZUDV-UHFFFAOYSA-N 350.426 2.394 0 40 FEAB CO[C@@H]1CN(C(=O)c2nc(-c3ccccc3)oc2C)C[C@H]1c1cnn[nH]1 622169959 FQKNSNNUNYUQPA-DZGCQCFKSA-N 353.382 2.023 0 40 FEAB NC(=O)c1ncn([C@H]2CCCN(Cc3csc(C(F)(F)F)c3)C2)n1 628242700 OETOYUNIXHZFNA-JTQLQIEISA-N 359.377 2.294 0 40 FEAB CNC(=O)C[C@]1(O)CCCN(c2ccnc3cc(F)c(Cl)cc23)C1 643719739 IXBFNDLRTAUBKH-QGZVFWFLSA-N 351.809 2.495 0 40 FEAB Cc1c(C(=O)N2CCC[C@](O)(CC(N)=O)C2)oc2ccc(Cl)cc12 643995028 VXXDWWVYEMQBII-KRWDZBQOSA-N 350.802 2.237 0 40 FEAB Cc1cc(N2C[C@@H](C(=O)N[C@H]3CCNC34CCCC4)CC2=O)ccc1F 648211317 OACZRAINMHYNHQ-YOEHRIQHSA-N 359.445 2.278 0 40 FEAB CS(=O)(=O)N(Cc1ccccn1)Cc1cccc2c1OC(F)(F)O2 655665693 WXLUZDVKMAMJLT-UHFFFAOYSA-N 356.350 2.365 0 40 FEAB COc1nc(C)cc(C)c1CNC(=O)N[C@@H]1CCO[C@H]1c1cn(C)nc1C 663953362 ZZKPLYGEZOVEKW-SJORKVTESA-N 373.457 2.078 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)n1 585112015 HBRXGUYYJHDMIX-GOSISDBHSA-N 353.470 2.450 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585097530 LDFMRPVSQABYDC-HNNXBMFYSA-N 369.469 2.086 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 56083297 NQOSZRLIVUHLGV-ZDUSSCGKSA-N 361.833 2.117 0 40 FEAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccnc3)OCC(=O)N2C2CC2)cc1 824690477 SABSIRXNRVCTDG-MOPGFXCFSA-N 367.405 2.160 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156479 JJNPVHCYSUYNCW-LJQANCHMSA-N 356.447 2.325 0 40 FEAB C[C@H]1Cc2cc([C@H](O)CN3CCC[C@@H](C)C3)ccc2N1S(C)(=O)=O 12180943 QKHKWMJAMUKHBI-QWQRMKEZSA-N 352.500 2.163 0 40 FEAB O=C(Cn1nc2c3ccccc3ncn2c1=O)Nc1cccc2ncccc12 12181816 SVCOKWUFGFLHHC-UHFFFAOYSA-N 370.372 2.231 0 40 FEAB CCn1nc(C)c(CCC(=O)N[C@H](C)Cn2nnc3ccccc32)c1C 12183334 MQGVLOSVCVKCBW-CYBMUJFWSA-N 354.458 2.402 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H](c3cc4nc(C)cc(O)n4n3)C2)cc1 12255064 IRFHQXCEJSCAIX-HNNXBMFYSA-N 366.421 2.311 0 40 FEAB C[C@@]1(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)CCS(=O)(=O)C1 12523094 TVXYAWKGBQOFQU-LJQANCHMSA-N 369.446 2.333 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)cc2n1 13225656 RUOYMJNHGBACJP-CQSZACIVSA-N 354.385 2.441 0 40 FEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(CO)o3)n2)cc1 15674688 JKXSTAFBFWELQO-DYVFJYSZSA-N 371.393 2.138 0 40 FEAB biogenic,in-vitro Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2ccnn2C)on1 19121449 IOBQZWOTRNKXCH-AWEZNQCLSA-N 354.414 2.484 0 40 FEAB Cc1nn(CCNC(=O)c2cnc(N3CCC[C@@H](C)C3)nc2)c(C)c1C 19557270 UIIOXPJEDAIILH-CYBMUJFWSA-N 356.474 2.265 0 40 FEAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2C)cc1CN1CCOCC1 19575742 RHCFKHMJWNQCNU-FXAWDEMLSA-N 359.514 2.196 0 40 FEAB CCCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935173 DCLRDGKGPZVBMC-UHFFFAOYSA-N 374.890 2.420 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 408709609 UYYXOFMCFSJZSR-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl 102985990 HSZNSVLYPJLCRF-GYBADROVSA-N 351.189 2.445 0 40 FEAB O=S(=O)(CCC(F)(F)F)N[C@@H](c1cccnc1)C1CCOCC1 225625687 YOHQKHNDLGYFJN-CYBMUJFWSA-N 352.378 2.421 0 40 FEAB O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1 36396331 STAUMAZFEIYICT-GFCCVEGCSA-N 356.344 2.255 0 40 FEAB O=C(c1cc[nH]n1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888891033 ACQQWYOSZFHPTC-UHFFFAOYSA-N 366.425 2.261 0 40 FEAB O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1nncs1 21214483 KOKLIKPQPYHSKW-UHFFFAOYSA-N 351.438 2.490 0 40 FEAB CN1CCCC[C@@]2(CN(C3CCN(c4ccccc4)CC3)CCO2)C1=O 2037985374 HVOVYEWYNWWVOX-OAQYLSRUSA-N 357.498 2.369 0 40 FEAB O=C(c1ncc(Cl)cn1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614929730 QTOCBCGZIMSYDP-SFHVURJKSA-N 371.828 2.184 0 40 FEAB NC(=O)c1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374381 FVOLHKKORMURSP-GFCCVEGCSA-N 372.812 2.366 0 40 FEAB CCOC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 4359012 KICSUMWXJWORMV-UHFFFAOYSA-N 364.357 2.462 0 40 FEAB CCCCN1C(=O)N[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 9419898 SNNPMTDNUKAKTB-MRXNPFEDSA-N 371.359 2.346 0 40 FEAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(F)cc1 100160079 JDJYNLNTKHNGIU-CNGUFQHNSA-N 354.381 2.207 0 40 FEAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccc(F)c(Cl)c1 90610629 LUWQTNZUVXLYMX-OAHLLOKOSA-N 371.817 2.426 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cn3cccc(C)c3n2)cc1OC 2961084 LBBLUJJVWONLAS-UHFFFAOYSA-N 361.423 2.138 0 40 FEAB Cc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1 6449041 MJQCDWALYQHFMA-UHFFFAOYSA-N 351.200 2.397 0 40 FEAB Cc1cccc(CN2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)n1 107228831 JBUUJDJXCWRWSU-UYAOXDASSA-N 353.470 2.440 0 40 FEAB CCS(=O)(=O)Nc1cnn(COc2ccc(Br)cc2)c1 2803659 ZZTTWGBPBPHDEU-UHFFFAOYSA-N 360.233 2.444 0 40 FEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(F)cc1 100127879 FVLLMPZGZYJEKE-HOTGVXAUSA-N 358.417 2.012 0 40 FEAB O=C(CSc1nnnn1-c1cccc2ccccc12)NC[C@H]1CCCO1 920802 NKRTZBQIDZRHQE-CQSZACIVSA-N 369.450 2.203 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccc(OCc3ccccc3)c2)N2NC=NC2=N1 956648 RPNJWSKYYUKNFQ-SFHVURJKSA-N 361.405 2.284 0 40 FEAB COc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102593169 KCGNBHKAVIFZKA-UJWMZTGESA-N 366.417 2.077 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 24049791 BPYDWMUFUZYRSO-UHFFFAOYSA-N 360.417 2.471 0 40 FEAB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)Nc1ccccc1Cl 54990941 DFKOWIWNAHIHHL-GFCCVEGCSA-N 363.767 2.421 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24611691 QTNRBEZEXXKMDM-UHFFFAOYSA-N 352.500 2.453 0 40 FEAB CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(OC)cc1 1404420 ZWIOIWVFOWRXQL-IRXDYDNUSA-N 352.390 2.492 0 40 FEAB Cc1ccc([C@@H]2Nc3ncnn3[C@](O)(C(=O)O)[C@@H]2c2ccccc2)cc1 106937076 NIWGPNKZBWIVQQ-JTDSTZFVSA-N 350.378 2.267 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCCN(c2ncnc3[nH]cnc23)CC1 57141611 SBSMPMCGTAQAED-UHFFFAOYSA-N 356.817 2.359 0 40 FEAB CCn1ncc(C(=O)N2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1C 100752838 AIJRQWXUWFNVJR-CZUORRHYSA-N 350.426 2.465 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 12696178 YBJUFWQQLJAPHA-KKVAFCGZSA-N 357.454 2.457 0 40 FEAB COc1ccccc1CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 58004432 MLWCHJSZWKSWRZ-UHFFFAOYSA-N 351.406 2.108 0 40 FEAB COc1ccc(OCCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1 10291011 CJIQIWXWILJCAX-UHFFFAOYSA-N 369.373 2.376 0 40 FEAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc3ccccn23)cc1OC 58225435 DOEWRRBGZXHJGF-CSKARUKUSA-N 352.394 2.418 0 40 FEAB CN(C)C(=O)N1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 58281624 OBGIDEGIVSQWQI-UHFFFAOYSA-N 354.454 2.460 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 28200906 HRCVWQVCAGJILW-QGZVFWFLSA-N 372.465 2.458 0 40 FEAB COC(=O)[C@](O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F 2300618 SUEIAXLSIGEWDH-OAHLLOKOSA-N 373.283 2.463 0 40 FEAB CCOC(=O)C1=CN2C(C)=CC=CC2=C(C(=O)OCC)[C@H]1C(=O)OCC 25630400 JCZPDXJUNFTQLH-HNNXBMFYSA-N 361.394 2.219 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C(=O)N2CCCCC2)CC1 48253029 DISJNDRNBFLWSY-UHFFFAOYSA-N 371.481 2.304 0 40 FEAB Cc1ccccc1OCCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 48333580 BPMIIJXXZVJTKL-GOSISDBHSA-N 360.454 2.004 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1 48382965 UXFBRCJYQJPIQG-UHFFFAOYSA-N 357.391 2.430 0 40 FEAB O=C(CNC(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCCO2 12938659 DKGDIKJBDBKLCX-UHFFFAOYSA-N 360.797 2.157 0 40 FEAB Cc1cccc2c(=O)n(CCCC(=O)NCCc3ccccn3)cnc12 8747132 BKTNPRPZTKGHIY-UHFFFAOYSA-N 350.422 2.239 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2N=C(N3CCc4ccccc4C3)NC2=O)cc1 13720438 TXLPZMBZHXICLU-SFHVURJKSA-N 362.433 2.236 0 40 FEAB Cc1nc(-c2cccc(NC(=O)CN3CCCC[C@H]3C(N)=O)c2)cs1 14157615 HKDLIBXTINRSHK-INIZCTEOSA-N 358.467 2.397 0 40 FEAB CCCNC(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 14111655 NCVFPZAGKFTQDZ-UHFFFAOYSA-N 373.428 2.370 0 40 FEAB COc1cc(OC)cc(C(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 14165571 WCYPWIGZUQOXML-OAHLLOKOSA-N 367.467 2.276 0 40 FEAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 4512449 SLBNNFUHASRBPU-CQSZACIVSA-N 371.393 2.135 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c(OC)c1 4675287 LPFAXSHNFIPCQG-MRXNPFEDSA-N 367.409 2.490 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1OC 4844503 BVMVCRGJMUXOTH-CYBMUJFWSA-N 366.439 2.068 0 40 FEAB CCOC(=O)CSc1nc2nccnc2c(=O)n1CCc1ccccc1 6818568 ZMRCDZBFPAGGJW-UHFFFAOYSA-N 370.434 2.084 0 40 FEAB CCCCCNC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 96006665 KLKPVFKESKSHDZ-LPWJVIDDSA-N 360.376 2.278 0 40 FEAB C[C@@H]1C[C@@H]1COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 67801241 NTAMBVVMVCSLQB-GHMZBOCLSA-N 361.510 2.298 0 40 FEAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3n[nH]c(=O)n3C3CC3)ccc21 9513683 TUSUIIVUKFFWLU-SNVBAGLBSA-N 372.450 2.179 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccccc2)c2nn[nH]n2)c(OC)c1 9425731 QLXXMGHCDGWFPK-HNNXBMFYSA-N 353.382 2.182 0 40 FEAB Cc1ccsc1CN(C)C(=O)c1ccccc1CN1C(=O)CNC1=O 23190692 DRLUZCOCRZDCFI-UHFFFAOYSA-N 357.435 2.381 0 40 FEAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 9644982 AVNOVAYPPJEBHA-NSHDSACASA-N 372.454 2.254 0 40 FEAB Cc1cc(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c(C)n1Cc1ccco1 9762777 CLCIPKQTMCBSLV-INIZCTEOSA-N 355.394 2.356 0 40 FEAB CC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CCN1C[C@@H](C)O 89949212 WPLPWEWYSRKVMJ-DOMZBBRYSA-N 366.437 2.093 0 40 FEAB COC(=O)C[C@@H](C)NC(=O)Nc1cccc(Cl)c1N1CCOCC1 72311273 YCESLYPOVIVTFO-LLVKDONJSA-N 355.822 2.250 0 40 FEAB COc1ccccc1C1(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)CCOCC1 84317751 RZZRTIUCHCSXLA-IRXDYDNUSA-N 369.465 2.397 0 40 FEAB CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 24926859 HUJAJYPKCKXTSZ-KRWDZBQOSA-N 367.515 2.281 0 40 FEAB CCOC(=O)N(C)CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 95958996 VGEIBMVDGRJGQS-UHFFFAOYSA-N 353.382 2.447 0 40 FEAB CN1CC2(CCN(Cc3cccnc3)CC2)c2nn(CC3CC3)cc2C1=O 306123709 AUIDFRXTYARXPE-UHFFFAOYSA-N 365.481 2.308 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)OCC)c1 408585026 ASLVFLMKOOXENH-UHFFFAOYSA-N 374.459 2.359 0 40 FEAB COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)c(OC)c1OC 524730991 GAZODHVPYIXECF-GFCCVEGCSA-N 359.378 2.161 0 40 FEAB biogenic C[C@@](NC(=O)c1ccc(NC2CC2)nc1)(C(N)=O)c1cccc(Cl)c1 531395716 JTWMSERNYREODF-SFHVURJKSA-N 358.829 2.440 0 40 FEAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217448049 SIPINSFUNKBXKU-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccccc1F 72241555 ULVJKPCULSVZQI-MSOLQXFVSA-N 360.360 2.180 0 40 FEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1nc2ccccc2[nH]1 70667367 HUFRCPTZMGTCSU-UHFFFAOYSA-N 361.405 2.439 0 40 FEAB Cc1cccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)c1 70895704 SJOZJAOQWGEYCI-UHFFFAOYSA-N 352.438 2.361 0 40 FEAB COCCn1cc(C(=O)NCCc2ccc(OC(F)F)cc2)ccc1=O 47245504 KEWKHVWGHZNNEX-UHFFFAOYSA-N 366.364 2.069 0 40 FEAB O=C(Nc1cccnc1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 49545604 WDVQPMOGCCSYBG-KRWDZBQOSA-N 370.478 2.390 0 40 FEAB Cc1cc(C)cc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 40110914 WYTPUZGNQIETRH-HXUWFJFHSA-N 367.405 2.376 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)Nc2c[nH]nc2-c2nccs2)[C@@]12CCCO2 571249135 JSZYHPMXBXRLKG-HSMVNMDESA-N 363.443 2.381 0 40 FEAB CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 226056489 HTLZCACVMRXTCP-UHFFFAOYSA-N 350.415 2.499 0 40 FEAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 225962656 SZSILWHSBZXLQT-UHFFFAOYSA-N 363.439 2.156 0 40 FEAB CC(C)Cn1c(CCNC(=O)c2ccn3nnnc3c2)nc2ccccc21 96224224 HRAFZRAXOCIKJU-UHFFFAOYSA-N 363.425 2.103 0 40 FEAB Cn1cc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cn1 96051621 KJAAVYLZVMPMMR-GOSISDBHSA-N 374.510 2.143 0 40 FEAB Cc1ccnc(N2CCN(C(=O)Nc3cc([C@H]4CCCO4)nn3C)CC2)c1 333001723 AYJUHIZPHWMBIA-MRXNPFEDSA-N 370.457 2.329 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 248011024 GFSUKNUMHITYRS-CYBMUJFWSA-N 361.373 2.217 0 40 FEAB Cn1cc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1 248117685 JARLDVVLHWTHCT-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB COc1ccc(C2=CCN(CCn3cccc(C(=O)O)c3=O)CC2)cc1 257201262 AGYCGLZNCVKUPB-UHFFFAOYSA-N 354.406 2.344 0 40 FEAB CCc1nccn1CC(=O)N(C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257330766 XPWIACCWNJIPCF-UWVAXJGDSA-N 357.454 2.265 0 40 FEAB O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1ccn2nnnc2c1 616709715 MWUCBTBLXZSOEH-UHFFFAOYSA-N 363.299 2.442 0 40 FEAB CO[C@@H](C(=O)N1CCCN(c2ccccc2Cl)CC1)c1cnn(C)c1 644892649 BBWYXPADDSEKMK-QGZVFWFLSA-N 362.861 2.500 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](OC)c2ccccc2C)cc1 96105155 ROXFHGMYNSZEEZ-KRWDZBQOSA-N 370.405 2.224 0 40 FEAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 575405831 JRQYBZNWRIZZJI-AWEZNQCLSA-N 354.401 2.070 0 40 FEAB O=C(NCc1cccc(C(=O)O)c1)N[C@H]1CCN(C2CCCCC2)C1=O 666536586 BOLLRPOAOMMKFF-INIZCTEOSA-N 359.426 2.118 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)cc1 585103720 ZGPTWWHQCNEFPR-KRWDZBQOSA-N 364.511 2.058 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCC1 585282614 LSZMBZLVCGDSOG-LJQANCHMSA-N 369.889 2.477 0 40 FEAB COc1cccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c1OC 44448652 KJWLICKHWOWXLD-UHFFFAOYSA-N 359.426 2.267 0 40 FEAB CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 108347438 DNYOJFFDJNDMGF-WBVHZDCISA-N 362.499 2.266 0 40 FEAB Cn1cc(-c2cccc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)nn1 1618329384 CNZMONHQHGOZDH-UHFFFAOYSA-N 350.304 2.336 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 5607299 FWOMIQXQRAQGNZ-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N1CCCCCC1 12146245 XURAIBCKHIGXNZ-QGZVFWFLSA-N 355.438 2.040 0 40 FEAB CCCn1cc(C(=O)N2CCc3nc4ccsc4c(=O)n3CC2)c(C)n1 12242274 DHKIKGPCDLPGKQ-UHFFFAOYSA-N 371.466 2.071 0 40 FEAB O=C(Nc1nccs1)c1cc(Br)ccc1-n1cnnn1 12391963 LXOQUJNJAPGIGM-UHFFFAOYSA-N 351.189 2.134 0 40 FEAB CCn1nccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 13698861 NXOXCALLNWYYFJ-UHFFFAOYSA-N 350.425 2.169 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(OC(F)F)c1 14792467 SKPHBVVBZXGZSV-UHFFFAOYSA-N 353.325 2.188 0 40 FEAB CC(C)n1cc(C(=O)N2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 19454881 KMXFXCNULQTESM-HXUWFJFHSA-N 352.438 2.425 0 40 FEAB Cc1oc2c(c1C(=O)NCCS(=O)(=O)N1CCCCC1)CCCC2 19581356 GXVABLWVDHCNMR-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB COCCCNC(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 8103483 JDZOXCVKNSGDAY-LFKWHJGZSA-N 360.435 2.432 0 40 FEAB O=C1N/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccccc1F 208527408 ZOLXZAKORYQIDL-WJDWOHSUSA-N 371.368 2.348 0 40 FEAB O=C(N1CC[C@H](Oc2cnccn2)C1)C1(c2ccccc2)CCOCC1 225794240 CRBBWLFPHGUBLT-KRWDZBQOSA-N 353.422 2.205 0 40 FEAB Cc1ncccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585916 BWNQGLNUXNHUHV-QKYXUNIQSA-N 356.397 2.289 0 40 FEAB CC(=O)N[C@]1(c2nc(C)no2)CCN(Cc2cccc3cccnc23)C1 643723695 ZWNAPONLKLVLEA-LJQANCHMSA-N 351.410 2.164 0 40 FEAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cc1nonc1N 19590186 YUJWPBGSEAJCPM-SZVBFZGTSA-N 369.469 2.063 0 40 FEAB Cc1cn2nc(OCC3CCN(c4nccn5nccc45)CC3)ccc2n1 1888903735 JAWTUXSNYFNJCM-UHFFFAOYSA-N 363.425 2.376 0 40 FEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1ccno1 38561068 YCCMWIWKUKTKNE-GFCCVEGCSA-N 369.468 2.099 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037915969 FDDAAZQTAJJLAY-UZLBHIALSA-N 364.461 2.432 0 40 FEAB COc1cnccc1C(=O)N1CCC[C@@]2(C1)CN(C(C)C)Cc1cncn12 1565550023 MWNNMGQWUVRAMO-HXUWFJFHSA-N 369.469 2.142 0 40 FEAB NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 2720637 ZVROCLNORBVZFF-UHFFFAOYSA-N 350.403 2.444 0 40 FEAB O=C1C[C@H](NS(=O)(=O)c2ccc(F)cc2)CN1c1cccc(F)c1 5222153 ABDIMLZNBDUXCJ-ZDUSSCGKSA-N 352.362 2.049 0 40 FEAB COc1ccc(CNC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)cc1 7455387 XBWZBZALDKYSOX-UHFFFAOYSA-N 365.389 2.180 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 8961802 QAOXPLKLYIBOPT-UHFFFAOYSA-N 372.446 2.488 0 40 FEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)C1 12440629 ZHAYIWYHJQEYJQ-OKILXGFUSA-N 355.456 2.492 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(F)cc2)c1C 17287749 HUUQIXGIBLGGOL-UHFFFAOYSA-N 353.419 2.358 0 40 FEAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)nc(C2CC2)n1 2086887042 SVXVOFFHEQJAAB-AWEZNQCLSA-N 350.488 2.055 0 40 FEAB COc1c(F)c(F)cc(C(=O)NCc2cn(-c3cccnc3)nn2)c1F 575618028 GXINQVWQDOOARM-UHFFFAOYSA-N 363.299 2.018 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cc(C)oc(=O)c2)C1 218913789 FLRQWYILGPICJW-CYBMUJFWSA-N 357.362 2.028 0 40 FEAB COC(=O)Cn1/c(=N\C(=O)c2nn(C)cc2C)sc2c(C)cc(C)cc21 101338083 CLMWYCUQZQMPSJ-VHEBQXMUSA-N 372.450 2.276 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792203 WZROAVJRYMOFBV-INIZCTEOSA-N 366.465 2.472 0 40 FEAB CCC(CC)[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 40087036 SVNGQQVKTBATOS-SFHVURJKSA-N 373.501 2.078 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)n1 40142496 VBYXKSARALMWKV-GFCCVEGCSA-N 363.483 2.278 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccc(F)c1 51134403 NIDLUSQRWYKAQM-NSHDSACASA-N 363.414 2.056 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc(-c3ccncc3)no2)cc1 11368843 GEOLNPSQBLDWPX-UHFFFAOYSA-N 352.394 2.432 0 40 FEAB Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)NC1CCCC1 1325481 ASTOJZJAUWCPPN-UHFFFAOYSA-N 374.466 2.286 0 40 FEAB CCC(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 1378078 VCHZXMLUNAZQHQ-HNNXBMFYSA-N 372.421 2.217 0 40 FEAB Cc1n[nH]c(SCC(=O)NC(=O)Nc2ccc(Br)cc2)n1 11705150 FAMKRYUHYIZHEC-UHFFFAOYSA-N 370.232 2.316 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4C)[C@H]3C2=O)cc1 101417942 GGLUTAQHHQEGLD-DLBZAZTESA-N 350.378 2.497 0 40 FEAB CC(C)CNC(=O)COC(=O)c1cccc(I)c1 3292335 JUNQITYJGQTGAK-UHFFFAOYSA-N 361.179 2.220 0 40 FEAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 3296181 LEOQMQBTXZPCAA-UHFFFAOYSA-N 365.407 2.072 0 40 FEAB O=C(O)[C@@H]1CCCN1Cc1c(-c2ccc3c(c2)OCO3)nc2ncccn12 6740877 BTVYZATXZZIFOO-ZDUSSCGKSA-N 366.377 2.174 0 40 FEAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 32795877 PYXXLYOADZOXGV-RYUDHWBXSA-N 367.243 2.049 0 40 FEAB COc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCCCCC1 8404895 WLQWJEFHRKWBTK-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 32907989 GJXAGSJGKOZJCQ-UHFFFAOYSA-N 356.513 2.171 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C1 32912994 ZTDSENCKOXFFCA-OAHLLOKOSA-N 352.456 2.280 0 40 FEAB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cc1OC 12196214 BSWJKMUHXHTUHR-HNNXBMFYSA-N 372.421 2.465 0 40 FEAB biogenic Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 12388961 MBAYKNOSSPDUKY-JTQLQIEISA-N 354.428 2.175 0 40 FEAB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 705276 MPIRKVPBTCZRSX-LCYFTJDESA-N 367.317 2.270 0 40 FEAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC(C)=O 793479 HEEWHGZNMLQNPG-LICLKQGHSA-N 366.398 2.391 0 40 FEAB FC(F)n1ccnc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22924311 FUFNTYWUHRZUJT-UHFFFAOYSA-N 350.369 2.325 0 40 FEAB CCOc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 42624153 MQHKHNVKMMZBIB-UHFFFAOYSA-N 361.375 2.079 0 40 FEAB CC(=O)Nc1ccc(CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 23641529 AZLDKFAFIDKTAY-UHFFFAOYSA-N 373.497 2.339 0 40 FEAB COC(=O)c1ccc2c(c1)S(=O)(=O)N=C(NCc1ccco1)S2 12624300 IEFFIVYJOQAHEU-UHFFFAOYSA-N 352.393 2.006 0 40 FEAB CCc1ccc(C(=O)N(CC)CCC(=O)Nc2ccc(C(N)=O)cc2)o1 25094913 OKUJBRPDGMZSSR-UHFFFAOYSA-N 357.410 2.432 0 40 FEAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)NC(C)(C)C)cnc12 12637530 DITMGZUTTPNDGR-AWEZNQCLSA-N 373.453 2.332 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c1 55997819 CTOOIISUAYSKKD-QGZVFWFLSA-N 373.434 2.359 0 40 FEAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1 56339352 FKJAMUQGKWTLOK-GOSISDBHSA-N 354.406 2.404 0 40 FEAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 26396451 PSDHKDLFDWQGIX-HNNXBMFYSA-N 363.483 2.170 0 40 FEAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 57784913 ZBJLULOAFNPZPO-IRXDYDNUSA-N 362.426 2.282 0 40 FEAB COc1ccc(NC(=O)N(C)C[C@H](O)COc2ccc3c(c2)OCO3)cc1 58150641 LXSMKCPPSHLOFA-AWEZNQCLSA-N 374.393 2.328 0 40 FEAB O=C(Nc1cccc(N2CCNC2=O)c1)N1CCC[C@H](N2CCCC2)C1 58213352 NKLFOCDLOXXAAS-KRWDZBQOSA-N 357.458 2.308 0 40 FEAB Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(CCO)cc2n(C)c1=O 36358359 JXCHCZAPABBHRL-UHFFFAOYSA-N 368.220 2.005 0 40 FEAB COc1ccc(N2C(O)=c3ccccc3=N[C@@]23C(=O)Nc2ccccc23)cc1 36359588 LGFJLAGFWNTFLS-JOCHJYFZSA-N 371.396 2.264 0 40 FEAB CCOCCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 48341036 PGWQCFQWRXNTEI-UHFFFAOYSA-N 363.277 2.125 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)CCn2c(=O)oc3ccccc32)c1C 12980742 HWUSPSKVQONFQM-UHFFFAOYSA-N 367.405 2.356 0 40 FEAB CN(C(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 5168248 KNHCBWVJTPSUKO-SNVBAGLBSA-N 352.239 2.018 0 40 FEAB CCOc1ccc2nc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)sc2c1 4392410 WTSJDKYDWSQYBG-JTQLQIEISA-N 354.453 2.458 0 40 FEAB COc1cc2c(cc1OC)-c1cc(N3C[C@H](C)O[C@H](C)C3)nc(=O)n1CC2 13805362 ULRPIJTWYGTVSK-BETUJISGSA-N 371.437 2.097 0 40 FEAB biogenic O=C(c1cnn(C(=O)Cn2nnc3ccccc32)c1)c1cc(F)ccc1O 14163224 ZVZPLWFMZDXQTM-UHFFFAOYSA-N 365.324 2.044 0 40 FEAB CCOc1ccccc1N(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1 22276534 HYTGASJODVJINY-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CN2CCCCCC2=O)c1 5538796 UKGXZCSWRSEKOD-AWEZNQCLSA-N 360.410 2.162 0 40 FEAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649417 FXMGNNKMXWOIID-UHFFFAOYSA-N 359.426 2.221 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)CNC(=O)c3ccccc3)c2c1 8764462 UPDQETAGKGWYCD-UHFFFAOYSA-N 351.406 2.265 0 40 FEAB biogenic Cc1c(CC(=O)Nc2nc(CC(=O)O)cs2)c(=O)oc2cc(O)ccc12 8765390 ZYJSKUDZSUQKAS-UHFFFAOYSA-N 374.374 2.072 0 40 FEAB biogenic CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1OC 7158691 XZENMQGGZMRUHI-QGZVFWFLSA-N 374.462 2.410 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C)cc2F)c2ccccc2O1 7253622 QFOAWMDCRLYAGX-KRWDZBQOSA-N 357.385 2.086 0 40 FEAB COc1ccc(NS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1 7787314 DRNCHWNUQKXUOZ-UHFFFAOYSA-N 374.415 2.007 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1COc2ccccc2O1 7842438 DKWWCLAIRKTHNS-MRXNPFEDSA-N 360.435 2.053 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 23603481 NIHPCCRZZRRYER-UHFFFAOYSA-N 373.453 2.251 0 40 FEAB CCOc1ccccc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 8061024 BOMHZQAMASGRNL-UHFFFAOYSA-N 373.434 2.105 0 40 FEAB Nc1ncnc2sc3c(c12)CCN(C(=O)Cc1cn2ccccc2n1)C3 96997670 VAWCPMJFHCTQAG-UHFFFAOYSA-N 364.434 2.049 0 40 FEAB N#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 72272774 NCVYBHCMCQEZKL-UHFFFAOYSA-N 350.327 2.227 0 40 FEAB COc1cccc(CNC(=O)COC(=O)COc2ccc(C)cc2)c1OC 72331102 CBHGGOHPUYLDOE-UHFFFAOYSA-N 373.405 2.251 0 40 FEAB CC(C)C[C@H](C(=O)NCc1cccc(O)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 84456783 XYSDEZYGTDBZJN-OKZBNKHCSA-N 370.449 2.374 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1COCCN1c1ncncc1Br 95458766 XWJMIAAHGRJSBI-GFCCVEGCSA-N 352.236 2.167 0 40 FEAB COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)c2ncccc2OC)CC1=O 89616905 HRKUWBWGYZQEDU-AWEZNQCLSA-N 369.421 2.423 0 40 FEAB Nn1cnnc1SCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 26280616 VMEHONPYIIADHB-UHFFFAOYSA-N 365.768 2.333 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]2CSc3nnc(N)n32)cc1 35670671 YDRAGDZXHPBBPI-NSHDSACASA-N 352.485 2.279 0 40 FEAB CCn1nc(C)c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)c1C 36614578 QFCMTXIAHXVHER-UHFFFAOYSA-N 366.274 2.039 0 40 FEAB NC(=O)N1CCc2cc(NC(=O)c3ccccc3Cn3cncn3)ccc21 512189375 KLUJPZJSQSQEPS-UHFFFAOYSA-N 362.393 2.020 0 40 FEAB O=C(c1ccccc1)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396677 NPWSLYIJELLUCB-OAHLLOKOSA-N 362.451 2.251 0 40 FEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217502185 GNRJBCWHGDABQC-JSGCOSHPSA-N 370.471 2.443 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2CCCCC2)c1 36724968 PDTSLMWLMSMHGI-UHFFFAOYSA-N 366.483 2.254 0 40 FEAB CCN(CC)Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 71260572 BOAJCQGGBBHMJQ-UHFFFAOYSA-N 359.455 2.390 0 40 FEAB COCCn1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2c1=O 72325982 YRQFMRIFWMCSKS-AWEZNQCLSA-N 358.438 2.335 0 40 FEAB biogenic COc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1OC 32124470 HGBJDQFUMXOZRA-AWEZNQCLSA-N 369.377 2.433 0 40 FEAB biogenic O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 32103820 SZWIBBWOSDHPLE-ZDUSSCGKSA-N 352.346 2.373 0 40 FEAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218112922 WXMVYJRRSNSDMK-GBESFXJTSA-N 361.463 2.287 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2 40386759 SYXFYRYBASKHGJ-QMMMGPOBSA-N 354.197 2.490 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2cc(F)ccc2C)cc1OC 42646134 HYNDGCCKXBJOOQ-UHFFFAOYSA-N 360.385 2.449 0 40 FEAB Cc1c(C(=O)NCc2nc(-c3ccccn3)n[nH]2)oc2c1C(=O)CCC2 573447365 FYVBAIWJPGIGCW-UHFFFAOYSA-N 351.366 2.217 0 40 FEAB CN(c1ccccc1)c1ccc(C(=O)N2CCc3nc(N)ncc3C2)cn1 573889290 ZKRTXIODJSQMQT-UHFFFAOYSA-N 360.421 2.420 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)N1CCN(c2ccccc2Cl)CC1 225649317 DDPKFDVXOPPJRR-UHFFFAOYSA-N 361.829 2.010 0 40 FEAB COc1cc(C(=O)N(CCc2ccccc2)CC(=O)O)cc(OC)c1OC 225317782 DTZVPQQTJOSLDS-UHFFFAOYSA-N 373.405 2.482 0 40 FEAB C1CN(Cc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)CCO1 80346389 LPTNZTLEGMWQJX-UHFFFAOYSA-N 359.499 2.486 0 40 FEAB Cc1cc(NC(=O)Cn2cc(C(=O)O)ccc2=O)ccc1Br 95471812 DODZKITYABFDIU-UHFFFAOYSA-N 365.183 2.256 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccc(F)cc1 96181673 YMFGEXMECKSTSH-QZTJIDSGSA-N 360.360 2.180 0 40 FEAB O=C(NCCc1ccccc1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96147306 JTNAKILPLVGHDM-UHFFFAOYSA-N 362.389 2.198 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cn1 95475365 BKTCQPAQTDXTML-JTQLQIEISA-N 369.356 2.097 0 40 FEAB CC(=O)NCC(=O)N[C@@H]1CC2(CCN(CC(C)C)CC2)Oc2ccccc21 96093988 DBSZCVFEMLWPPD-GOSISDBHSA-N 373.497 2.253 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccnn2C)c2ccccn2)CC1 257233242 GOJYFXHNFDYBRB-GPMSIDNRSA-N 369.469 2.229 0 40 FEAB O=C(COc1ccc2c(c1)C(=O)CC2)N[C@@H](Cc1ccccc1)C(=O)O 256028021 OHIHMBHLKPESIC-KRWDZBQOSA-N 353.374 2.006 0 40 FEAB O=C1CN(C(=O)Cc2nnc(O)c3ccccc23)c2cccc(F)c2N1 544035677 SELLNTNVBNKFLV-UHFFFAOYSA-N 352.325 2.002 0 40 FEAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3ccccc3)C2)cc1 257200890 AFGOYPQJOXAZOC-OAQYLSRUSA-N 354.450 2.404 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ncc(C(C)(C)C)s2)s1 280351061 BBIYZOPQRZDTOV-XFUBVATKSA-N 350.509 2.415 0 40 FEAB COc1cc(F)ccc1N1CCN(c2ccc3ncnc(O)c3n2)CC1 641381205 PDAGQVGNMNGNAE-UHFFFAOYSA-N 355.373 2.205 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 643995162 ZXAKAIZXFATZLQ-FQEVSTJZSA-N 354.406 2.321 0 40 FEAB Cn1cc([C@@H]2OCCC[C@H]2CNCc2nncn2-c2ccccc2)cn1 657309084 INIMATZBFMRDSF-HNAYVOBHSA-N 352.442 2.258 0 40 FEAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575423023 NKLDQXQAPAIBCB-MRXNPFEDSA-N 359.513 2.398 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/c2cnc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 585288384 YQGGZRADNDQSGX-CXWTVFLASA-N 353.422 2.223 0 40 FEAB O=C(/C=C/c1ccco1)N1CCC[C@H]1c1nccnc1Nc1ncccn1 585292533 ODJZWQZKKZFXLM-LFAOLKIESA-N 362.393 2.980 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/c2c(C)nn(C)c2C)C1 585289037 DDCNGSOASCRSRU-GXLYXMFMSA-N 358.486 2.300 0 40 FEAB CN1CCN(C(=O)[C@@]23CC=CCN(Cc4cccnc4)[C@@H]2CCC3)CC1 12135529 ULJZTOGVUYCVKC-TZIWHRDSSA-N 354.498 2.156 0 40 FEAB CC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1 12472155 ZPNCKVKFICBMLJ-UHFFFAOYSA-N 372.450 2.446 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)NC2CCCC2)CC1=O 12865251 FPCFAKLYILSLLY-KGLIPLIRSA-N 374.437 2.039 0 40 FEAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 15435744 XEVOSDNVZMSTAE-UHFFFAOYSA-N 363.414 2.260 0 40 FEAB COc1ccc(OC)c(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19551645 QDIXTQZYMBHEQW-SFHVURJKSA-N 354.454 2.477 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 19564436 HORDJKVFCWSOIU-OAHLLOKOSA-N 352.438 2.151 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1 19661341 GEVBCMBDYNGORU-QGZVFWFLSA-N 354.389 2.351 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(C(C)C)o2)CC1 35597679 CSGLYGNPRMTLSO-UHFFFAOYSA-N 354.432 2.366 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)c4ccccn4)CC3)ccc2n1 1888876395 ZUNKPKGQUGPYDS-UHFFFAOYSA-N 351.410 2.364 0 40 FEAB COc1ccc2sc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc2c1 1888879564 HYNJEECHSLUJQX-UHFFFAOYSA-N 367.496 2.165 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc1 1889152011 GVHXGCVEJGDZTF-MRXNPFEDSA-N 358.417 2.430 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cc(C)ccc2OC)CC1 24325845 DITKDCXBEPGCQC-UHFFFAOYSA-N 368.499 2.024 0 40 FEAB Cn1ccc2cc(C(=O)N3C[C@@H]4CN(CC5CC5)CCO[C@@H]4C3)ccc21 1614939319 OJXRTNKRUKFLHD-AZUAARDMSA-N 353.466 2.361 0 40 FEAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)c3cc(C4CC4)on3)C[C@@H]12 1565555609 LFPRVUVBQULOKO-VCBZYWHSSA-N 356.426 2.401 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940750 MRBNXYLHYAYRNS-NSHDSACASA-N 372.402 2.061 0 40 FEAB CN1CCN([C@H](CNC(=O)c2ccc(F)c(F)c2)c2cccn2C)CC1 21153066 MGLJQHFGJWNFEL-GOSISDBHSA-N 362.424 2.022 0 40 FEAB CCN1CCN(C(=O)N2CCS[C@@H](c3cccs3)CC2)C(=O)C1=O 219538270 JPZQJNJFECDCAD-CYBMUJFWSA-N 367.496 2.039 0 40 FEAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccnc1OC 206800296 MNHYNRVMKNCMTA-IUODEOHRSA-N 374.368 2.064 0 40 FEAB COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19569897 JWDYHZCUGRLSEU-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB O=C(O)c1ccccc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 13615473 YBAVYADMJCZGMS-UHFFFAOYSA-N 354.362 2.110 0 40 FEAB Cc1nc(COc2cccc(C(=O)NCc3nnc4n3CCC4)c2)cs1 40037558 UDUHVILSPOVGFD-UHFFFAOYSA-N 369.450 2.498 0 40 FEAB Cc1cc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)ccc1F 40116135 WQZFADFNHHFDIF-UHFFFAOYSA-N 366.396 2.447 0 40 FEAB NC(=O)[C@H]1CC(C(=O)N[C@@H](c2ccccc2)C2CC2)=NN1c1ccccc1 30803417 UEUCUBWICBTNIN-MOPGFXCFSA-N 362.433 2.374 0 40 FEAB CC(C)[C@H](C(=O)O)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388228 CLZHGRVWEBQRMY-MRXNPFEDSA-N 363.377 2.388 0 40 FEAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cn1 11357380 NVOVWBZSIUKNSU-UHFFFAOYSA-N 363.439 2.419 0 40 FEAB CC(=O)Nc1cc(C)c(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c(C)c1 45744582 OMDTUBFPKLXQQB-OAHLLOKOSA-N 366.483 2.451 0 40 FEAB O=C(c1ccc(F)cc1Br)N1CCN(c2cnccn2)CC1 11545088 VNESKCVDXJOTEJ-UHFFFAOYSA-N 365.206 2.341 0 40 FEAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)N1CCCC1 905309 JCZQRVQRZLJVQV-CYBMUJFWSA-N 362.455 2.432 0 40 FEAB Nc1nc(Cl)cc(NCCCCCNc2cc(Cl)nc(N)n2)n1 1620412 QUUXGQAUGYPJLX-UHFFFAOYSA-N 357.249 2.432 0 40 FEAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 101433490 VBSNBXDCWDSMGW-QGZVFWFLSA-N 369.396 2.054 0 40 FEAB CCOC(=O)NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 2652118 IURKDFFHEJXBQL-UHFFFAOYSA-N 350.400 2.162 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O 4514771 UHUWITGOOVXUPR-QLJPJBMISA-N 350.806 2.174 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C)c2)cc1 6207576 VPFRVLIILNMHEV-UHFFFAOYSA-N 355.394 2.087 0 40 FEAB Cc1oncc1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108536316 VRBIHMFKEBDXGP-AWEZNQCLSA-N 357.414 2.039 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CN2CCCC2=O)c1 52559473 ANOTUJOTWPETCZ-AWEZNQCLSA-N 357.454 2.442 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccc(F)cc1Cl 8208084 SSDQJTLQGIKPNK-ZDUSSCGKSA-N 359.781 2.340 0 40 FEAB CNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12334783 FKVGJTOQQDDLQV-LLVKDONJSA-N 373.375 2.370 0 40 FEAB C/C(=C/C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 58010314 JCDMMTPFAVTVRT-PFONDFGASA-N 360.429 2.326 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102082573 RIHYVLZKOCDPCH-CLJXZBEYSA-N 350.418 2.295 0 40 FEAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 12408914 OVAQFXPMUAJRMF-IBGZPJMESA-N 369.465 2.340 0 40 FEAB COc1ccc(CCNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1OC 12474869 LASRZHCDPFZTIP-UHFFFAOYSA-N 368.389 2.223 0 40 FEAB biogenic CCCCn1nc(C)c(CN2CCN(CC(=O)NC3CC3)CC2)c1Cl 22815026 HCPDSQDZABNPEI-UHFFFAOYSA-N 367.925 2.041 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccn1 24680180 QWPWYTXZBRBLAE-CHWSQXEVSA-N 353.378 2.041 0 40 FEAB O=C(Nc1ccccc1-n1cncn1)[C@@H]1CC(=O)N(c2ccccc2F)C1 25002274 PJBQSGVNUZPMNJ-CYBMUJFWSA-N 365.368 2.398 0 40 FEAB COC(=O)c1csc(-n2nc(-c3ccc(OC)cc3)cc2NC=O)n1 1405040 NZQWSOMYVIYPRX-UHFFFAOYSA-N 358.379 2.359 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)CCNC(=O)c1ccccc1C 7963985 ANDAHEWXBRCBNJ-UHFFFAOYSA-N 367.449 2.432 0 40 FEAB COc1ccc2c(c1)c(C(=O)[C@@H](C)N1CCC(C(N)=O)CC1)c(C)n2C 57050870 QBJFQRTZGIFJQE-CYBMUJFWSA-N 357.454 2.264 0 40 FEAB Cc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)F)c(=O)[nH]1 10115091 SFXBEWCAZWDLLY-UHFFFAOYSA-N 351.353 2.237 0 40 FEAB CC(=O)NCC1CCN(C(=O)c2cn(CCN(C)C)c3ccccc23)CC1 58342693 QDUNGRMISPHDIO-UHFFFAOYSA-N 370.497 2.191 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)c1ccccc1F 58404916 LLCUOLSECXHORY-UHFFFAOYSA-N 353.371 2.287 0 40 FEAB Cc1ccc(NC(=O)Cn2ccnc2)cc1S(=O)(=O)N1CCCCC1 10809308 AYLMXFQACDLEMP-UHFFFAOYSA-N 362.455 2.005 0 40 FEAB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O 3479730 FABRAKNNZWONEF-QWHCGFSZSA-N 366.373 2.242 0 40 FEAB CN(C)C(=O)Cc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 48442564 MWFNWSPTQFKPOV-UHFFFAOYSA-N 367.453 2.066 0 40 FEAB CC(C)CCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 4063984 WFAGFBBQVNKOBT-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB biogenic COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCCC1 4061315 CLJLWXNNSFTCKC-SFHVURJKSA-N 355.438 2.080 0 40 FEAB biogenic CCn1ncc(S(=O)(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1C 17074641 JDCIITQIJLIPBG-UHFFFAOYSA-N 362.499 2.026 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NCCO)cc1 5277931 NSGWEIGVNXGFRU-CQSZACIVSA-N 370.405 2.477 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1 6587576 BFLSATMFDDXMSD-UHFFFAOYSA-N 368.176 2.283 0 40 FEAB CCc1ccc(-c2nnn(CC(=O)Nc3cccc(NC(C)=O)c3)n2)cc1 7040990 BNIOEUUETHNROB-UHFFFAOYSA-N 364.409 2.500 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nccs1 9047234 SKENOTFAGVDUCN-ZDUSSCGKSA-N 358.423 2.229 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)CC2 78875331 OIRNOEGHQADULY-IRXDYDNUSA-N 374.437 2.427 0 40 FEAB C[C@]1(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1(Cl)Cl 78850295 AYEYDGYHUVLNJJ-ZUZCIYMTSA-N 355.221 2.414 0 40 FEAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cccc([S@](C)=O)c2)C1 95460951 XQTPZSKFDDTOFI-ZJWNCGCPSA-N 361.471 2.447 0 40 FEAB O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 95461207 DGRAJKFNKVUMHZ-HZPDHXFCSA-N 370.405 2.268 0 40 FEAB CN(C)c1ncccc1C(=O)N[C@H]1CCc2nnc(-c3ccccc3)n2C1 95998168 XSQRWIAVHZSOMG-HNNXBMFYSA-N 362.437 2.151 0 40 FEAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1ccc(Cl)cc1 46088748 YEKJTPALTNVLAH-UHFFFAOYSA-N 358.829 2.165 0 40 FEAB CCOC(=O)Cc1ccc(-c2nn3c(CC(=O)OCC)nnc3s2)cc1 41126947 RKJCLZLQFVRSAF-UHFFFAOYSA-N 374.422 2.064 0 40 FEAB COCCCNC(=O)Cn1cc(-c2cccc(Br)c2)cn1 227154346 YYOHVIWAHGYKCP-UHFFFAOYSA-N 352.232 2.465 0 40 FEAB Cc1ccc2ncn(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c2c1 40127929 RIOHWZWRZYKANT-UKRRQHHQSA-N 356.426 2.109 0 40 FEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223740905 KSOBXRFFVMJBHN-SJORKVTESA-N 358.467 2.346 0 40 FEAB Cn1cc(CC(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)c2ccccc21 225552333 QHMAPKXNRVBGIT-GOSISDBHSA-N 365.437 2.297 0 40 FEAB CS(=O)(=O)c1ccccc1CN1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O 333891944 HDRXJIJHNYDKSY-YUELXQCFSA-N 362.451 2.185 0 40 FEAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C3CCC3)C[C@H]21 514289869 PMPRIZXOARBQTH-MJGOQNOKSA-N 352.438 2.157 0 40 FEAB biogenic,in-vitro Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2ccccn2)CC3)c1 96051722 YNUJRLZTKTWESH-QGZVFWFLSA-N 352.438 2.235 0 40 FEAB O=C(c1cccs1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96049650 BLJKUWVWOOXJEJ-GOSISDBHSA-N 358.467 2.297 0 40 FEAB COCCn1cnc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccn23)c1 96266790 BULGEEFLPSKUHB-OAHLLOKOSA-N 368.437 2.358 0 40 FEAB Cc1nc(CN2CC[C@]3(CCCN(C(=O)c4cnccn4)C3)C2)cs1 96038458 VBCOIGHHOZKZNC-GOSISDBHSA-N 357.483 2.370 0 40 FEAB CC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261946 BYBRTNINCIJBOR-LJQANCHMSA-N 374.437 2.478 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 245333848 BHNLYGBJMNKDTM-LQAKBWQZSA-N 353.418 2.442 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 257344461 ZXHOSSOVTXPHNS-QGZVFWFLSA-N 350.378 2.253 0 40 FEAB CCc1cc(C(=O)N2CCC(c3cc(O)n4nc(C)cc4n3)CC2)on1 257341783 ZLYDPBPSWOPEGW-UHFFFAOYSA-N 355.398 2.314 0 40 FEAB Cc1ccsc1CN1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 253599948 YWOFDEKZMWBIPJ-HNNXBMFYSA-N 355.525 2.472 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3ccncn3)C2)cn1 257328972 XHVHSLMLBZXWSE-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1coc(C)n1 257227055 FNLBOMIHKCQDCL-ZHALLVOQSA-N 353.422 2.460 0 40 FEAB C[C@@H](NC(=O)N1CCn2c(O)nnc2C1)c1ccc(OC(F)(F)F)cc1 663574901 TXXFCDBVKKVTHN-SECBINFHSA-N 371.319 2.169 0 40 FEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1 677185571 ZTXFXMJHURLFDM-UHFFFAOYSA-N 355.391 2.183 0 40 FEAB O=C(c1ccc(C(F)F)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 679822603 CDEMROLLBBWZDJ-UHFFFAOYSA-N 358.410 2.311 0 40 FEAB C=C(OC)C(=O)N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 1775960363 HLMRSYLWQQRNCZ-HNNXBMFYSA-N 368.315 2.324 0 40 FEAB O=C(CNS(=O)(=O)c1cccc(Cl)c1O)Nc1cccc(F)c1 1621709274 NHEINIVRCPWESG-UHFFFAOYSA-N 358.778 2.102 0 40 FEAB C[C@H]1c2nc(CC(=O)N(C)C)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096321 IEPHNGAGPMZXIA-ZDUSSCGKSA-N 365.437 2.212 0 40 FEAB COCc1csc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(OC)nc2)n1 585120196 CPEYEVGUTGXKFW-OCCSQVGLSA-N 364.427 2.345 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CC4)C[C@@H]23)c1 585105987 AJORGUKSTWTDCK-MOPGFXCFSA-N 367.493 2.058 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2F)C1 678984440 BRAHRFUQPJPTAC-IUODEOHRSA-N 364.417 2.352 0 40 FEAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CN1C(=O)CN(C)C1=O 45262441 OQYAGWYMISMHPD-SECBINFHSA-N 358.225 2.407 0 40 FEAB O=C(NCCCn1ccnc1)N1CCC(C(=O)N2CCCCCC2)CC1 54029094 XMHMGQSBYQSIRJ-UHFFFAOYSA-N 361.490 2.097 0 40 FEAB C[C@H]1CN(Cc2cccc(CNC(=O)NCc3cccnc3)c2)CCO1 67588591 OFMBXTIICKMPKD-INIZCTEOSA-N 354.454 2.302 0 40 FEAB COC(=O)c1cccc(N[C@H]2CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1 102396787 ZDTZYAJPJLWVDY-KRWDZBQOSA-N 366.373 2.420 0 40 FEAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 5267295 GXLCRFQFQCKNKP-AWEZNQCLSA-N 352.350 2.110 0 40 FEAB COc1cccc(CC(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 11706992 ZBPJZKRHTQZYQN-CYBMUJFWSA-N 371.389 2.215 0 40 FEAB O=C(NCCNC(=O)c1ccnc2ccc(Cl)cc12)c1ccccn1 12204776 LRUUYZQWBBXJAR-UHFFFAOYSA-N 354.797 2.443 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3ccccc32)cc1 12913297 HHLVQVNSTLYUSQ-SFHVURJKSA-N 358.463 2.467 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)N3CCc4sccc4C3)ccc21 14205461 FMPPNMKMSORDNH-UHFFFAOYSA-N 370.434 2.254 0 40 FEAB COc1ccc(OC)c([C@@H](O)CN2CCN(Cc3ncccc3C)CC2)c1 19237815 PVFQRCIFCSZMRE-FQEVSTJZSA-N 371.481 2.258 0 40 FEAB Cc1cn(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)nn1 19238765 RSBFLDZOKSNDFD-NSHGMRRFSA-N 371.460 2.252 0 40 FEAB CC(C)NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 19449917 JREZFYUOTRAOJB-UHFFFAOYSA-N 358.419 2.229 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1 19552074 AEPBIUCAEWXLDE-CXAGYDPISA-N 358.438 2.378 0 40 FEAB COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 19564435 PRBYFCKMKWGGHK-GOSISDBHSA-N 352.438 2.037 0 40 FEAB Cn1cnc2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)ccc21 19665895 UZAMPPALXHKEBB-UHFFFAOYSA-N 370.434 2.366 0 40 FEAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718888 BYBALPAOYJAIJN-CQSZACIVSA-N 374.872 2.402 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)n4ccnc4)C3)nn2c1O 100141829 GFGUPRQFSXTQMI-CYBMUJFWSA-N 354.414 2.350 0 40 FEAB Cc1ccccc1C1(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)CCCCC1 644006672 NVAIVUMMYBTLGW-HXUWFJFHSA-N 358.482 2.426 0 40 FEAB Cc1cccnc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 648427421 XJSPYXYRXIFASS-KXBFYZLASA-N 350.422 2.267 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)c3ccc4c(c3)ncn4C)CC2=O)cc1 19718448 LNMGOZQCPRIAQW-CQSZACIVSA-N 364.405 2.117 0 40 FEAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888843189 YYTMHHLHEKGNMR-TXEJJXNPSA-N 365.359 2.042 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2ccnc(O)c2)C3)nc1 1888866472 OTYGSRQUJYJRNG-DNVCBOLYSA-N 354.410 2.207 0 40 FEAB O=C(Cn1cnc2ccccc21)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888909730 ZZTRGLIHCVZIJP-OKILXGFUSA-N 353.451 2.088 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 9846115 ASQHQLKDDYUORN-OAHLLOKOSA-N 368.474 2.435 0 40 FEAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](c2ncon2)C1 238954285 XPOJKONVBJQEBN-SECBINFHSA-N 358.217 2.010 0 40 FEAB O=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CC3)CC2)C1 1565548122 SIHHLMYXSWCRJE-UHFFFAOYSA-N 351.447 2.490 0 40 FEAB O=C(Cc1ccccn1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565543096 VIFXNVWDKHBRIE-IBGZPJMESA-N 362.433 2.299 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)CC4(O)CCC4)CC3)C2)cc1 1565555711 OJDOQNSKHAPANH-UHFFFAOYSA-N 372.509 2.494 0 40 FEAB CCS(=O)(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 4273087 DCYVSDITKJQDON-QGZVFWFLSA-N 363.483 2.082 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc2c(c1)OCO2 10255888 SSSNPQRGHIQWEU-DZFYGRHCSA-N 350.374 2.132 0 40 FEAB CC(C)n1nnnc1Sc1nc(O)c2cnn(-c3ccccc3)c2n1 78804583 YTDAGLAVKVIPGZ-UHFFFAOYSA-N 354.399 2.240 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 40121586 CHRQMGKSTHJZHH-RHSMWYFYSA-N 372.469 2.398 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 40113315 SWXHGQMKGNAYKW-INIZCTEOSA-N 369.396 2.318 0 40 FEAB COc1cc(OC)c([C@]23CCN(C)C[C@@H]2O3)c(OC)c1Br 100467194 WKPBNWSHAJYKOE-NHYWBVRUSA-N 358.232 2.405 0 40 FEAB COCCCNC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8274200 DVBOTOYFQJTMGY-UHFFFAOYSA-N 372.421 2.479 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 4477306 JPAABAZFWBDQPI-HXUWFJFHSA-N 367.405 2.491 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1C 6846267 WGWZFUHYRPRJFI-UHFFFAOYSA-N 364.442 2.427 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)N2CCc3ccccc3C2)cc1 8093144 HJKJMYPPAVLSJT-UHFFFAOYSA-N 367.449 2.150 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 639702 ISYFSYQOCAJJHT-HNNXBMFYSA-N 373.405 2.227 0 40 FEAB biogenic C[C@@H](O)CNc1nc2ccccc2n1CC(=O)N1CCc2sccc2C1 22020240 CLRPYGNKUXXEPW-CYBMUJFWSA-N 370.478 2.475 0 40 FEAB C[C@@]12NC(=S)N[C@H](c3ccccc3O1)[C@@H]2C(=O)NCc1ccccc1 100870460 XTZQYSHCZWZFLX-GPMSIDNRSA-N 353.447 2.247 0 40 FEAB CC(C)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)cc1 23350387 QYEYYDAEULFCJF-UHFFFAOYSA-N 373.482 2.495 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 106152891 FCZIXGSKISCUMY-IXDOHACOSA-N 362.470 2.174 0 40 FEAB C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 10233790 RGZBKISGWSJBBK-AATRIKPKSA-N 365.437 2.241 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc4ccccc4[nH]3)ccc21 58369040 LOTXDIFCDQCDEI-UHFFFAOYSA-N 357.391 2.091 0 40 FEAB CCn1c(=O)n(CCC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21 10447570 HFYPVSURGRNSFC-UHFFFAOYSA-N 366.421 2.211 0 40 FEAB CCCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2409235 ILPJJDCXDUNTNG-GOSISDBHSA-N 374.466 2.297 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 3461592 BQOWZMXWQHABNU-FQEVSTJZSA-N 351.406 2.078 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 17321786 HBPUGQRACFAWHA-AWEZNQCLSA-N 364.511 2.491 0 40 FEAB CC(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 13686825 BPLBWGAOPFSXAX-QWHCGFSZSA-N 368.480 2.146 0 40 FEAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 6099989 IZVMQGARVPIZID-GFCCVEGCSA-N 366.845 2.450 0 40 FEAB C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@@H](c2cccs2)NC(=O)N1 6206007 PQZXOUJFISJLLN-BOTMBNHJSA-N 350.396 2.039 0 40 FEAB CC(C)OCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 4435554 MOYBCJQGZWWOBL-GOSISDBHSA-N 356.422 2.204 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1C 14098630 FOHFHEHTTMCXBY-IYBDPMFKSA-N 354.516 2.470 0 40 FEAB NC(=O)COc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 18820968 HYZNQGVAUHCQHQ-UHFFFAOYSA-N 352.346 2.072 0 40 FEAB CCc1noc(C)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 6831264 LKMAQKHUQMFHSE-UHFFFAOYSA-N 357.410 2.051 0 40 FEAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 4942546 IXLGEITXVHHXKK-CQSZACIVSA-N 371.393 2.135 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 20245577 JWNMYANHQGJCNW-UHFFFAOYSA-N 373.478 2.128 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16022130 ZOXZTVVYASKWLB-KKTFQGFQSA-N 369.465 2.170 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 9094914 PACSMDFZECMFAV-UHFFFAOYSA-N 368.499 2.499 0 40 FEAB Cn1cc(-c2[nH]nc3c2CCC[C@]32CCN(CCN3CCCC3)C2)cn1 306123811 AXOXZSUUEAQDCD-HXUWFJFHSA-N 354.502 2.186 0 40 FEAB CCOC(=O)C[C@H](C)CNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 89983627 SVVDSXIDZZXHJO-AWEZNQCLSA-N 373.453 2.492 0 40 FEAB COc1ccc(N(Cc2cccs2)C(=O)CN(C)S(C)(=O)=O)cc1 71879919 OPMKMDAYJSAAIK-UHFFFAOYSA-N 368.480 2.181 0 40 FEAB O=C(O)C[C@@H]1CSCCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 95970121 GTZVBZOHVJXHIU-SGUJLRQBSA-N 365.842 2.420 0 40 FEAB COC(=O)c1cc(NC(=O)CCc2c(C)nn(C)c2C)cc(C(=O)OC)c1 9954890 FIDRUCSFDZNXNI-UHFFFAOYSA-N 373.409 2.181 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(O)c(OCC)c1 25070959 QKKKWIKVIXZTJH-OAHLLOKOSA-N 350.440 2.489 0 40 FEAB COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 408789154 JYDIOUNTTZOTGC-UHFFFAOYSA-N 363.435 2.102 0 40 FEAB C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 1556717285 GWBZVHDLQOMNGJ-WYRIXSBYSA-N 366.421 2.235 0 40 FEAB CN(C)CCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 31813103 IXOLOYMUOZHPDS-UHFFFAOYSA-N 370.840 2.331 0 40 FEAB COC(=O)c1sccc1-n1nnnc1C1(N)C2CC3CC(C2)CC1C3 35170797 YDOBOPLKHDCVOX-UHFFFAOYSA-N 359.455 2.121 0 40 FEAB CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1N 152441521 CZRRUKIPWDACKR-SCRDCRAPSA-N 360.376 2.031 0 40 FEAB COc1cc(C(=O)NCc2ccnc(N3CCCC3)n2)cc(OC)c1OC 224197335 AGGGSKSELUOOKA-UHFFFAOYSA-N 372.425 2.033 0 40 FEAB COc1ccc(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 47081031 VHFHNTINNQNQEI-UHFFFAOYSA-N 355.394 2.075 0 40 FEAB Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240869 OFDBHGGKAWRXGJ-GOSISDBHSA-N 356.466 2.486 0 40 FEAB COc1cc(CN2C[C@@H]3COC[C@]3(Cc3nc(C)no3)C2)cc(OC)c1 96206612 DKOYLUGNOCGNLO-BEFAXECRSA-N 359.426 2.086 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccsc1)CCC2 96259355 IEBCNKUXWZVQND-UHFFFAOYSA-N 358.467 2.042 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cn2cccn2)c2ccccn2)CC1 257328184 XENFLZCJLHJRLK-ZWOKBUDYSA-N 369.469 2.078 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3ccncn3)C2)n1 257275656 NQHPWFICPPEITH-CQSZACIVSA-N 364.409 2.243 0 40 FEAB O=C([C@@H](c1ccccc1)S(=O)(=O)[C@@H]1CCCOC1)N1CCCCC1 272466968 YRWAQAKBDPVGTP-IAGOWNOFSA-N 351.468 2.334 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@H]1c1ccc(O)cc1 95115994 VAUSJGRCQOMLSM-SFHVURJKSA-N 371.462 2.464 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1C 294803656 UGVFFIFFQUNQJO-DZGCQCFKSA-N 358.410 2.068 0 40 FEAB CCOc1ccc(CNC(=O)C(=O)NCc2ccc(OCC)cc2)cc1 298103672 LWMUKBGUFJTQKJ-UHFFFAOYSA-N 356.422 2.417 0 40 FEAB Cc1ccc2c(c1)CC[C@H](C(=O)N1CCCc3ccc(C(N)=O)nc31)O2 585114344 CMCXIFQBSULDKJ-QGZVFWFLSA-N 351.406 2.162 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21)N1CCCC1 585112583 RLZKUZCOZVIIGP-QGZVFWFLSA-N 357.433 2.385 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCCN(C(C)C)C2)CC1=O 106161291 HAJDQSOMGWCZLP-IRXDYDNUSA-N 373.497 2.285 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 170293563 LTGHBLFLFPHCJV-CYBMUJFWSA-N 358.350 2.042 0 40 FEAB NC(=O)c1cc(N2CCN(c3cccc(Br)c3)CC2)ccn1 557688180 ZANMUKJENNPWKW-UHFFFAOYSA-N 361.243 2.270 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)on1 1615144665 HCPCBDSIBCWMNG-FQEVSTJZSA-N 374.437 2.357 0 40 FEAB O=C(CCC(=O)N1CCOCC1)Nc1nnc(C2CCCCC2)s1 5163524 VDGMPPJFECPYJB-UHFFFAOYSA-N 352.460 2.163 0 40 FEAB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 5301885 MDORBEWBQIZXTH-UHFFFAOYSA-N 356.426 2.216 0 40 FEAB COc1cccc(CNC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)c1 12117551 OGSGUGFTPJRKCC-UHFFFAOYSA-N 354.410 2.104 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2CCCCCC2)n1 12186081 KBTNQCBKRRQDBL-OAHLLOKOSA-N 357.458 2.224 0 40 FEAB Cc1cc(C)n(CCc2nnc(NC(=O)C3Oc4ccccc4O3)s2)n1 12203420 LHEZJOUDUNRLPN-UHFFFAOYSA-N 371.422 2.330 0 40 FEAB C[C@H]1Cc2cc(C(=O)N[C@H](C)c3ccncc3)ccc2N1S(C)(=O)=O 12613693 PHGJJPWHVOROAH-QWHCGFSZSA-N 359.451 2.283 0 40 FEAB CCCNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680866 FIQZHROTWOBLOL-GOSISDBHSA-N 374.462 2.310 0 40 FEAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2CC1CC1 19706649 HAMAPECXEZDANK-HNNXBMFYSA-N 364.515 2.087 0 40 FEAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21)c1cc[nH]n1 19749614 VHVGQYUOISEQFR-MRXNPFEDSA-N 374.466 2.048 0 40 FEAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC1CC(c2ccccc2)C1 684973442 DTAISRVSJYLTLT-BDVYOWHSSA-N 350.484 2.111 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OC 6786736 DLIFSLNUXJGIPS-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB O=C(CSC1CCCC1)NCC1(N2CCOCC2)CCSCC1 1888843708 VNGMQCIYGAGJBG-UHFFFAOYSA-N 358.573 2.376 0 40 FEAB Cc1cc(C)nc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888883409 GNFZWYHKBVKKHQ-AWEZNQCLSA-N 365.441 2.314 0 40 FEAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(-n2ccnc2)nc1 33043797 JSAXAOHCIAMELT-UHFFFAOYSA-N 364.405 2.288 0 40 FEAB O=C(N1CCC2(CC1)COCCN(Cc1cccnc1)C2)C1(F)CCC1 1565549637 XKDWQAXCMPFGJD-UHFFFAOYSA-N 361.461 2.415 0 40 FEAB COc1cc(C(=O)OCC(=O)NCc2cccs2)cc(OC)c1OC 3451821 LZSQJGXTZSTWNV-UHFFFAOYSA-N 365.407 2.247 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)cc3c2N1CC3 5153473 SVTNBYNUWZHCRC-UHFFFAOYSA-N 360.410 2.140 0 40 FEAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccon1 38667379 JEADXYMPYIGNBB-UHFFFAOYSA-N 360.370 2.235 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccco1)n1cccn1 575612890 CVEVDAGNSAXNGY-MRXNPFEDSA-N 373.434 2.046 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2n[nH]c(=O)cc2C1 225785871 SANWUQUFNPTQSO-ZDUSSCGKSA-N 351.328 2.005 0 40 FEAB CN1CC(=O)N(CCCC(=O)Nc2nnc(C3CCCCC3)s2)C1=O 40012266 IFIUKADNKAIHFF-UHFFFAOYSA-N 365.459 2.199 0 40 FEAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40159603 HWRCZSHNAXNNNW-HNNXBMFYSA-N 371.264 2.386 0 40 FEAB CCc1[nH]c(C(=O)NC[C@@H](O)c2ccc(F)cc2F)c(C)c1C(=O)OC 31309813 CRRCDSYHZFQFGX-CQSZACIVSA-N 366.364 2.414 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(-n2cnnn2)ccc1C 59284304 QQRBKLLYRCLJCW-UHFFFAOYSA-N 371.422 2.017 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1nc2ncccn2n1 924025 AWDMWUHCHMHXEL-UHFFFAOYSA-N 365.372 2.377 0 40 FEAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101344812 WYVFDGXPLOJJKE-WMZOPIPTSA-N 360.373 2.174 0 40 FEAB Cc1cccc2nc(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)cn12 21040964 AHAWWGYBCWAYEH-AWEZNQCLSA-N 355.419 2.291 0 40 FEAB CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1cccnc1 2911347 SJXGXDZNQLNMDW-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB COc1cc(-c2noc(CSc3n[nH]c(N)n3)n2)ccc1OC(F)F 8924376 LPVXTGCMGYHGRY-UHFFFAOYSA-N 370.341 2.339 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccccc1 2664463 WUWRGPFXJHIFGW-LHSJRXKWSA-N 363.417 2.257 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 33163360 JIDWIIKDUGLODC-CZUORRHYSA-N 352.438 2.462 0 40 FEAB NC(=O)CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C1CCCC1 42092737 XBARQWWNVUZDQP-AATRIKPKSA-N 350.802 2.338 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSC(=S)N1CCSCC1 828868 ZNMKHSYTWCLZEQ-UHFFFAOYSA-N 352.506 2.350 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccccc3)c(-c3ccccc3)cn21 822935 GJQQXKRDHFWVRJ-UHFFFAOYSA-N 357.373 2.332 0 40 FEAB biogenic COC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1 23718136 GPZILMLYMGADOA-UHFFFAOYSA-N 368.433 2.440 0 40 FEAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COc1ccccc1F)C2=O 12581668 PLVLUUYPIMVTGQ-YNAXMUEKSA-N 350.390 2.066 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208039 CDBLOYSTCRPVSH-NSHDSACASA-N 362.879 2.274 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58201161 HPAFXPSEIQRPCD-DZGCQCFKSA-N 360.454 2.014 0 40 FEAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)NCC(F)(F)F 58202518 DDQREDOBVAGNKH-NSHDSACASA-N 353.385 2.044 0 40 FEAB CC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)O 2120920 YUBKQLAPSNVVHF-GFCCVEGCSA-N 367.785 2.285 0 40 FEAB biogenic O=c1n(Cc2cc(Cl)cc3c2OCOC3)nnn1-c1cccs1 10813498 MOYYTIUFPQVPJU-UHFFFAOYSA-N 350.787 2.059 0 40 FEAB COc1cccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)c1 2321594 IBSOAMDEMHNLOZ-UHFFFAOYSA-N 359.363 2.131 0 40 FEAB CCOc1ccc(Cl)cc1NC(=O)NCCN1CCN(C(C)=O)CC1 48309020 HQKGTRFYQJLBPA-UHFFFAOYSA-N 368.865 2.024 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 12944873 DIFJDHZQCUCBGO-KRWDZBQOSA-N 358.463 2.442 0 40 FEAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(C)C 69412692 IUEIZJPHHFAAHL-QGZVFWFLSA-N 369.868 2.284 0 40 FEAB C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 13018131 SRNLSECKTMELIQ-SSDOTTSWSA-N 371.344 2.289 0 40 FEAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)n1nnc2ccccc2c1=O 5270821 TYQOBTASINWUIW-MRXNPFEDSA-N 368.393 2.399 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(N2CCCC2)CC1 65575478 TWJLNNQVJWSTJP-UHFFFAOYSA-N 355.482 2.443 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 14170934 VSEQMJHRMXEUFA-QGZVFWFLSA-N 359.401 2.187 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCCc1cccs1 14182806 MRVBDBUPJFNYCZ-UHFFFAOYSA-N 363.483 2.442 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(C)(C)N1CCOCC1 14122086 BECRCQBZNCNHHP-UHFFFAOYSA-N 370.497 2.259 0 40 FEAB COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 5814314 AOFQNQXYULRZBR-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CCOc1ccccc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 7059687 JFPKFSOMXRJHLH-UHFFFAOYSA-N 365.455 2.201 0 40 FEAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(N)(=O)=O)c1 7619337 QVTPILGSJYFKLT-CYBMUJFWSA-N 359.451 2.114 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(O)cc1 71334237 LZSFSDKPLDTEJC-OAHLLOKOSA-N 368.437 2.251 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)c1 9337118 XIACKTUDKWOPJO-NSHDSACASA-N 353.378 2.431 0 40 FEAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(C(F)(F)F)cc1 9366685 RJVZLIOHHFLZJN-ZCFIWIBFSA-N 358.349 2.174 0 40 FEAB C[C@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccc(Cl)cc1 9582378 YIIBLMDYLHNYPO-NSHDSACASA-N 361.785 2.407 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 9637906 KNXNZYCJSDIKGY-QGZVFWFLSA-N 373.416 2.186 0 40 FEAB COc1cc(CNc2nc(N3CCOCC3)ns2)cc(OC)c1OC 95445194 GUSPPOALCCSPHO-UHFFFAOYSA-N 366.443 2.013 0 40 FEAB C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1O)S(C)(=O)=O 95446774 PGVSMPKCMMMLHF-RXMQYKEDSA-N 356.625 2.180 0 40 FEAB O=C(Cn1cnc(C2CCC2)cc1=O)N1CCO[C@H](c2ccc(F)cc2)C1 89701521 QCSKFCDYKSMQGR-SFHVURJKSA-N 371.412 2.250 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 20902752 BIRSSCNBCPRWGA-HNNXBMFYSA-N 357.410 2.471 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 27522651 LIZZRYDXAJTWFA-ZACQAIPSSA-N 354.406 2.051 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 22313448 LWVPOJJJRUYATN-INIZCTEOSA-N 362.433 2.270 0 40 FEAB Cc1cccc([C@H](NS(=O)(=O)c2ccc3c(c2)COC3)C(=O)O)c1C 547963884 DKOWNOOBDILCSX-KRWDZBQOSA-N 361.419 2.438 0 40 FEAB NC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409167760 MTVKBSADBBCNAE-OQLLNIDSSA-N 371.780 2.301 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217560738 UUIUBLCAPPQPEA-NEPJUHHUSA-N 356.444 2.053 0 40 FEAB COCC1=CCN(C(=O)NCCc2csc(N3CCCC3)n2)CC1 185512315 QIPCCPQXFCFEEP-UHFFFAOYSA-N 350.488 2.274 0 40 FEAB COc1cccc2c1CCN(C(=O)c1cc(S(N)(=O)=O)cc(C)c1C)C2 180742390 ANZGGTNNCCMKOF-UHFFFAOYSA-N 374.462 2.158 0 40 FEAB COc1cccc([C@H]2[C@@H](C(=O)Nc3nccs3)[C@@H](C)Nc3ncnn32)c1 36621313 CRQDODVQDBSDOA-SWHYSGLUSA-N 370.438 2.402 0 40 FEAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(-n2cc(Cl)cn2)nc1 72401965 CZGLXQTWKHNHRG-UHFFFAOYSA-N 357.801 2.489 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCCN1CCOCC1 223169171 NYQSGGRTISJJTH-QZTJIDSGSA-N 371.510 2.105 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2scnc2C)CC1 40139181 JLRCKEMMBBZCTF-UHFFFAOYSA-N 372.494 2.465 0 40 FEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]1CCCc1ccccc1 194026126 PJXDWVYESGBKBY-RDJZCZTQSA-N 352.500 2.280 0 40 FEAB O=C(CSc1ccccn1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386226 HXEBWWLNBXKMMB-HNNXBMFYSA-N 367.430 2.352 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC1CCCCC1 223829611 VIUVPJORZGEZNC-UHFFFAOYSA-N 368.499 2.327 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)C(C)C 225205907 NFHIWNGYPDDACA-CYBMUJFWSA-N 354.472 2.254 0 40 FEAB O=C(O)[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 62133657 DATRMNDWEKATGM-JTQLQIEISA-N 352.188 2.406 0 40 FEAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 226858611 KUKLSTKGLAMRRD-CQSZACIVSA-N 356.488 2.482 0 40 FEAB Cc1cccc(N2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)n1 96221085 MPTWTYPSUGSIAC-INIZCTEOSA-N 352.438 2.343 0 40 FEAB O=C(c1nc(-c2cn(-c3ncccn3)cn2)n2ccccc12)N1CCCC1 96266894 FHSXNTROARWZQH-UHFFFAOYSA-N 359.393 2.213 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F 253473337 UGFIIHNECVAUSW-ZDUSSCGKSA-N 369.400 2.208 0 40 FEAB CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 257313973 UUWOBJAACZDNEY-HXUWFJFHSA-N 374.460 2.288 0 40 FEAB O=C(O)CN1CCCC[C@@H](N2CCC(Oc3ccc(F)cc3)CC2)C1=O 643873393 XWDCOWWSLFOWPH-QGZVFWFLSA-N 364.417 2.135 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 1636207872 IGQBORBTBIKZNE-INIZCTEOSA-N 355.438 2.475 0 40 FEAB CCn1nnc(C)c1CNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 627871054 XKPWPVAGJZEKFW-SECBINFHSA-N 372.395 2.402 0 40 FEAB COc1ccc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc1F 390830102 ISLIDQWKJGHSCV-UHFFFAOYSA-N 351.403 2.113 0 40 FEAB CN(C(=O)CN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1 585147787 IHZMODZDDFBCBI-UHFFFAOYSA-N 357.435 2.383 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cnn(C)c2-n2cccc2)ccn1 47012164 JOZOYQJPPWUJKL-UHFFFAOYSA-N 361.409 2.030 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2Cc3ccccc3O2)c1 57800966 GMIMUZKCDUYEGT-INIZCTEOSA-N 355.346 2.202 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1 54779196 FTQDNIQGJKOUHM-AWEZNQCLSA-N 353.422 2.388 0 40 FEAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(Cl)c1 5365413 SURYUPQGAWQIEI-UHFFFAOYSA-N 351.790 2.095 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12911816 SWQHGKNKXZYZSQ-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCn1nccc1C 13227758 QSLMKTBGBRFLMM-ZBFHGGJFSA-N 350.426 2.221 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 13623973 HMSCNPYROSTRCC-DFYYWFRZSA-N 365.389 2.217 0 40 FEAB CCOCCCNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713581 PLETXKSONOMVDG-MRXNPFEDSA-N 356.488 2.082 0 40 FEAB CN1CC[C@H](c2ncc3c(n2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 19588008 GDGZIJVETDVEPV-INIZCTEOSA-N 365.481 2.160 0 40 FEAB O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc(-n2ccnc2)cc1 19657991 REOYDLOKTGHXRQ-GOSISDBHSA-N 350.426 2.172 0 40 FEAB CC(C)c1nc(N2CCN(c3ncc(Cl)cn3)CC2)nc(O)c1F 1888856565 WBEMTUJRUBPNKD-UHFFFAOYSA-N 352.801 2.215 0 40 FEAB Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888870148 GUNJLYBYBDVLBQ-IYBDPMFKSA-N 370.428 2.075 0 40 FEAB O=C(c1csnn1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889211556 OFVNKBHFAPUNEA-UHFFFAOYSA-N 368.422 2.074 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccnn4C)C3)C2)cn1 2056224309 WEEJFGBVQKJILY-HXUWFJFHSA-N 368.485 2.037 0 40 FEAB CN(C)[C@H]1CCOC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)C1 1565556802 WSKUJVRMNXTBAK-HNNXBMFYSA-N 368.424 2.445 0 40 FEAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccco1)CN2 6668950 QBPNPWHBWDEXLA-UHFFFAOYSA-N 358.785 2.157 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1F 10063764 NFCWWHCBEVYHHY-UHFFFAOYSA-N 350.371 2.154 0 40 FEAB O=C(NCc1cccs1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 10326624 JNZXUWXWGOTLEI-UHFFFAOYSA-N 363.870 2.367 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)C1CC1 2086864694 BJPVIIKEOPZYLX-JTQLQIEISA-N 367.368 2.290 0 40 FEAB CC(C)c1ocnc1CN(C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593126 IZEUDYYMIVPLAE-UHFFFAOYSA-N 367.457 2.434 0 40 FEAB COCCNc1nc(SCC(=O)Nc2cc(C)[nH]n2)nc2ccccc12 4659294 VLOVOZBDRDGVEP-UHFFFAOYSA-N 372.454 2.450 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 19293686 IGAOJPXDJPMZCX-OAHLLOKOSA-N 367.428 2.088 0 40 FEAB CC(C)CN1C[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CC1=O 29820914 JGBYMFISRLNGAY-OAHLLOKOSA-N 363.889 2.493 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7675910 SUMXBIWJDCOOSE-UHFFFAOYSA-N 367.361 2.117 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccc(F)cc2)CC1 32665008 NAKAKJZXZAGQCE-IBGZPJMESA-N 356.397 2.310 0 40 FEAB CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128430 GWMKYMGDJMMHTJ-INIZCTEOSA-N 366.870 2.366 0 40 FEAB O=c1n(CCN2CCC([C@H](O)c3ccc(F)cc3)CC2)nc2ccccn12 108386996 USHXSKHTBRICKY-LJQANCHMSA-N 370.428 2.081 0 40 FEAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)cc1 8559287 PCIRXJPTNPUPOW-JTQLQIEISA-N 353.304 2.381 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)c2occc2COc2ccccc2)n1 21724916 ARSAWZVGLSJSKZ-UHFFFAOYSA-N 369.381 2.049 0 40 FEAB O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCCC1 33325323 GSZWEXUBYGRZFB-GFCCVEGCSA-N 365.480 2.207 0 40 FEAB COC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22787319 USMRZZIKAHMWJO-HXUWFJFHSA-N 368.433 2.447 0 40 FEAB COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2OC)CC1 831040 RBJXGDPSZKCJAU-UHFFFAOYSA-N 354.406 2.302 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47647220 INTQFAPDQVYANJ-IBGZPJMESA-N 352.434 2.232 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCCC[C@H]1C(F)(F)F 23191346 BMHVSSFOEQGUKW-KGLIPLIRSA-N 353.348 2.442 0 40 FEAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC(=O)C1CC1 1024950 QOKQBQSKLMBBDX-MRXNPFEDSA-N 374.393 2.202 0 40 FEAB COc1cc(CN[C@@H]2COc3ccccc32)cc(Cl)c1OCC(N)=O 105468480 JOTJFYNZMHKMFC-CQSZACIVSA-N 362.813 2.436 0 40 FEAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1 12560169 STLZQHXPHMVPDG-GOSISDBHSA-N 366.396 2.195 0 40 FEAB COc1ccc(CCC(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1 3292721 SNXUALXNXWMIFD-UHFFFAOYSA-N 355.390 2.057 0 40 FEAB CN(C)C(=O)c1cccc(S(=O)(=O)NCC2(c3ccccc3)CC2)c1 56004752 HTGGHIPQZRTQJT-UHFFFAOYSA-N 358.463 2.399 0 40 FEAB CCCNC(=O)c1ccccc1NCc1cc(=O)n2nc(CC)sc2n1 25724764 HTFPMFQQXFIWOW-UHFFFAOYSA-N 371.466 2.465 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(=O)[nH]c2ccccc12 25748439 GYRJDCSEFAHZEU-UHFFFAOYSA-N 369.465 2.293 0 40 FEAB C[C@H](C(=O)NCc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35269288 STHVVVBJORHLQO-CQSZACIVSA-N 350.422 2.060 0 40 FEAB COC(=O)c1ccccc1N(CC(=O)c1ccc(C)cc1)S(C)(=O)=O 57486372 LWWRFWBJCXSNLE-UHFFFAOYSA-N 361.419 2.431 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](n3cnnn3)[C@@H]2c2ccccc2)cc1OC 58166645 HIDKAHLZLFHAHY-ROUUACIJSA-N 365.393 2.015 0 40 FEAB CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 12778289 QLWKRANHXMCSKM-SFHVURJKSA-N 358.463 2.219 0 40 FEAB CC(C)[C@@H](NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccccc1 10927521 NTPFSEWLISVKDL-QGZVFWFLSA-N 371.437 2.233 0 40 FEAB CCn1nnc2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)ccc21 12808302 DGNLKNQLARKJAE-UHFFFAOYSA-N 351.410 2.437 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 13006494 ZUFXKGBTFAEUCM-UHFFFAOYSA-N 368.499 2.454 0 40 FEAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 13258018 MDMVQVUJNHWKTP-INIZCTEOSA-N 361.419 2.344 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38848795 IQYWSONEXBJOOL-SFHVURJKSA-N 374.462 2.147 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H](CC(=O)O)c2ccccc2)C1=O 13428055 WMMAXMHXCNUBRJ-HIFRSBDPSA-N 368.389 2.133 0 40 FEAB COc1cccc(/C=c2\sc3nnc(-c4ccccc4)n3c2=O)c1OC 13838459 HQBCXKZXFXYDAG-PTNGSMBKSA-N 365.414 2.383 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 6348179 CBRLRJFBOCIVAM-UHFFFAOYSA-N 352.346 2.098 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c1 14069701 GZDLYSJJFAORTI-UHFFFAOYSA-N 368.437 2.462 0 40 FEAB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)NC(=O)NC1CCCC1 14108445 IWHTUTDNWVTMHW-LLVKDONJSA-N 363.443 2.168 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)OCCc1cccs1 65663174 FTKJEVWBBQTBMR-IBGZPJMESA-N 370.430 2.227 0 40 FEAB COC(=O)CNC(=O)CSc1nc2ccccc2n1-c1ccccc1 5623514 XQLSXBXBBZESHY-UHFFFAOYSA-N 355.419 2.407 0 40 FEAB CCCN(CC(=O)NC(=O)NCC(C)C)[C@@H](C)C(=O)Nc1ccccc1 69951105 UHRUBNHHHLPWBZ-HNNXBMFYSA-N 362.474 2.207 0 40 FEAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2F)[nH]c(=O)c1CCO 67219734 URHAHRMIOJUEMA-UHFFFAOYSA-N 371.821 2.136 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1 6849986 IPUBDPDXCWXANN-YWPYICTPSA-N 356.875 2.411 0 40 FEAB CCn1nc(C(=O)NCc2ccc(OC)c(OC)c2)c2ccccc2c1=O 6938586 YEGYHLZUHANPEA-UHFFFAOYSA-N 367.405 2.364 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 8842295 REJJGJOFHBAJSG-HNNXBMFYSA-N 363.414 2.321 0 40 FEAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc(OC)c1OC 9015586 OTHLDBRZPXOSIW-MRXNPFEDSA-N 353.382 2.158 0 40 FEAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc2c(c1)OCCO2 9421603 BSFUHZKDAPWYCX-SECBINFHSA-N 357.395 2.243 0 40 FEAB CC/C=C/C(=O)OCC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 9576115 RGCDMVFMHINUTI-RIWGIVCCSA-N 358.394 2.367 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)c1 72287766 CDLVHXXHFPKXJP-IBGZPJMESA-N 365.437 2.433 0 40 FEAB CC(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9690848 JOBDKGWNWHFSBC-UHFFFAOYSA-N 360.845 2.191 0 40 FEAB Cn1nc(Br)c2c(N[C@H]3CCCCC[C@@H]3CO)ncnc21 84310284 HEFVKMLSGYCKMT-ZJUUUORDSA-N 354.252 2.479 0 40 FEAB Cc1nc(-c2cccnc2)nc(N2CCC[C@@H](N3CCNC3=O)C2)c1C 78804707 VCQICJBMDCEBDO-MRXNPFEDSA-N 352.442 2.149 0 40 FEAB COC(=O)C1(NC(=O)CN2[C@@H](c3ccccc3)COC[C@H]2C)CCCCC1 95452646 DPEHMGDLFJKVSG-SJLPKXTDSA-N 374.481 2.441 0 40 FEAB CO[C@@H]1[C@@H](C)[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1(C)C 95987032 AUTBBJXIMNVRFC-MJXNMMHHSA-N 360.454 2.368 0 40 FEAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 95985658 CGDOXVMFUQXBLH-CANCMXDXSA-N 361.471 2.447 0 40 FEAB C[C@H]1NC(=S)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O 67256082 YSAQIIYUJZZHGQ-CYBMUJFWSA-N 353.447 2.269 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NCc1nc(-c2ccccc2)no1 38717807 YWHJWYSUWCRNDS-UHFFFAOYSA-N 354.410 2.360 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980379 OZDIGMAPDNNVMW-HNNXBMFYSA-N 368.380 2.093 0 40 FEAB COCCNc1nc(Nc2ccc(OC)c(OC)c2)nc2nccnc12 32096322 UHDRTYKQMWVHDY-UHFFFAOYSA-N 356.386 2.239 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71980277 NFZKRCUIPDMYJN-OAHLLOKOSA-N 366.845 2.468 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2nn(CC)cc2Br)CC1 32611222 MSFHZEFUSZLAJG-UHFFFAOYSA-N 358.236 2.081 0 40 FEAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NCc1ccccn1 38498029 WDHGEOXALYQIPH-UHFFFAOYSA-N 351.362 2.367 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 32675380 JFUVFDXVZQBUCO-UHFFFAOYSA-N 361.419 2.483 0 40 FEAB CC(C)n1ncc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1=O 72242616 PVHCSRWARSLDGF-UHFFFAOYSA-N 350.806 2.033 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 72393889 RUQWSMIOMDXNIN-AWEZNQCLSA-N 351.410 2.392 0 40 FEAB O=C(NCC(=O)N1CCCN2CCC[C@H]2C1)c1ccc2ccccc2c1 49992555 SNXZPASXWVFKMK-IBGZPJMESA-N 351.450 2.266 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)C(C)C 225232645 XXFVJPHPFQPERW-BBRMVZONSA-N 356.488 2.401 0 40 FEAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1coc2ccccc2c1=O 96114008 XJXKIVJRAPQRRL-GFCCVEGCSA-N 356.330 2.455 0 40 FEAB biogenic CCCc1cc(NS(=O)(=O)c2cccc3c2OC(F)(F)O3)n(C)n1 582288497 WIRQDEDFDLYPJI-UHFFFAOYSA-N 359.354 2.495 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@]32CCNC2=O)o1 96262702 UCLXONUCPPAVGN-OAQYLSRUSA-N 373.497 2.288 0 40 FEAB COc1cccc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)c1 247896898 DEMOEPMIJNOUHV-INIZCTEOSA-N 367.467 2.044 0 40 FEAB CC[C@H]1CN(C)CCN1C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 585085984 LHJZCSRMKZWBEN-INIZCTEOSA-N 364.453 2.290 0 40 FEAB CN(C)c1cncc([C@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257244002 IJLUIZLWYSXUKD-MRXNPFEDSA-N 356.426 2.343 0 40 FEAB COc1ccccc1OCC(=O)NCCNC(=O)N[C@H]1CCCC[C@H]1C 586426122 BJMMRXLVPZVQBD-CABCVRRESA-N 363.458 2.068 0 40 FEAB C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccccc1 608546913 QXFLLXVOFOZMIM-ZBEGNZNMSA-N 355.369 2.083 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cn[nH]c1 604405323 QYGUYHZAAVMQBV-SFHVURJKSA-N 373.372 2.163 0 40 FEAB biogenic CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cc(OC)c(OC)cc21)n1cnnn1 604419722 UOHCUFGJTWMQOS-YLVFBTJISA-N 359.430 2.081 0 40 FEAB O=C(NCCC1CS(=O)(=O)C1)N[C@@H]1CCCc2ccc(Cl)cc21 623922627 FMWBHQAOWVASQT-OAHLLOKOSA-N 356.875 2.451 0 40 FEAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 630654241 AGGIRKOHVBBNTP-MSOLQXFVSA-N 355.438 2.215 0 40 FEAB Cc1noc([C@@H](C)N2CCN(C(=O)c3cnc4ccccc4c3)CC2)n1 297368983 IXQGMJYPKTTWPV-CYBMUJFWSA-N 351.410 2.445 0 40 FEAB CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405461 IFNHWFFJBDFHIP-RRFJBIMHSA-N 358.429 2.058 0 40 FEAB CCn1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)cn1 585099216 VSIQCMFKONHPBN-QGZVFWFLSA-N 355.486 2.253 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 55682556 OMHSYKBEGUNJOH-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)ncc2-c2cc(C)no2)C1 12118484 KTWYOBUHWPJXRN-ZDUSSCGKSA-N 350.444 2.278 0 40 FEAB Cc1ncsc1C(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 12146362 TZKOIRACUZHAFU-UHFFFAOYSA-N 367.434 2.153 0 40 FEAB COc1cc(C[C@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O 14694366 PUETUDUXMCLALY-IYBDPMFKSA-N 362.422 2.117 0 40 FEAB biogenic,in-vitro COCC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 19016260 AJEYWIDCHONQTL-UHFFFAOYSA-N 360.454 2.214 0 40 FEAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1cn(CC)c2ccccc12 19500320 NEOJTIAWNGULRA-SFHVURJKSA-N 356.514 2.346 0 40 FEAB Cc1onc(C(=O)N2CC[C@H]3[C@H]2CCCCCN3C)c1Cn1cccn1 19712513 XSXPJLWYPGUHFD-DLBZAZTESA-N 357.458 2.317 0 40 FEAB COc1ccc2sc(N3CCN([C@H](C)C(=O)NC(C)C)CC3)nc2c1 1888914331 GGLACYVEPBCPSV-CYBMUJFWSA-N 362.499 2.340 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)c1cccnc1O[C@H]1CCOC1 240068009 SHJCZCOPLSGFKC-ZDUSSCGKSA-N 356.378 2.313 0 40 FEAB COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 5195005 XXENBXFQMOPKKL-OAHLLOKOSA-N 354.406 2.168 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)o1 5143584 UAPBUVQDIZOQNJ-UHFFFAOYSA-N 363.377 2.393 0 40 FEAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864298 YHCIBCNRSIGGBF-SFHVURJKSA-N 371.506 2.360 0 40 FEAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1cccc(Cl)c1)CC2 2055732736 WWMYDHXWLHGUHA-GFCCVEGCSA-N 369.874 2.225 0 40 FEAB O=C(CCc1ccccc1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127834 ZUAFUWGZYSBKEJ-IBGZPJMESA-N 352.434 2.336 0 40 FEAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)c1 23125750 HKLDUTJAZFUCGE-JKSUJKDBSA-N 352.350 2.202 0 40 FEAB O=C(c1cc([C@@H]2CCCNC2)no1)N1CCN(c2ccc(F)cc2)CC1 72391959 OMPYGTDHCLCQEQ-CQSZACIVSA-N 358.417 2.243 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 75155467 CVDJNYGGPKBZLJ-QGZVFWFLSA-N 367.398 2.049 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](C(C)C)N(C)C 40047511 GUSYQCLTSIUOKP-KRWDZBQOSA-N 356.470 2.374 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccnn1Cc1cccs1 29277771 SGXRAHBYUWRVPO-UHFFFAOYSA-N 365.418 2.342 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](C)CN1CCCCC1 59924014 LTSXETRRQUFSBT-OAHLLOKOSA-N 352.500 2.332 0 40 FEAB CC(C)(C)NC(=O)COc1coc(CN2CCc3ccccc32)cc1=O 4304598 UQAQSCCWCVNWGQ-UHFFFAOYSA-N 356.422 2.496 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 32855929 OTIOOTNUTSTYMV-HNNXBMFYSA-N 371.524 2.324 0 40 FEAB CCOc1ccccc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 32818290 NQLVQZJVXVAFJY-UHFFFAOYSA-N 353.378 2.389 0 40 FEAB O=C(NC[C@@H]1CCCO1)Nc1cc(-c2cccc(Cl)c2)nn1CCO 72057877 HEAKTFGGGIKGQO-AWEZNQCLSA-N 364.833 2.496 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1ccccc1Cl 23482430 ZGSRWBDVSCTKJX-SECBINFHSA-N 358.833 2.397 0 40 FEAB O=C1C[C@H](c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)CN1 1069504 IZXTUULAGHJPDT-AWEZNQCLSA-N 364.854 2.422 0 40 FEAB COc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2c1 23653458 XFYNDSLZNWBMAK-UHFFFAOYSA-N 374.422 2.108 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)OC 8315328 NJJUOZMDQLAEEV-IAQYHMDHSA-N 359.426 2.042 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C)c2C)c2ccccc2O1 12563231 WZEZNDZCWBMCHG-SFHVURJKSA-N 353.422 2.256 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 27394295 DCNRFXDJZMHZLF-HOCLYGCPSA-N 350.846 2.487 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)Nc1ccc(N2CCOCC2)nc1 48079757 KXAMYLZRTHUYHF-UHFFFAOYSA-N 370.409 2.011 0 40 FEAB CCc1ccc(-c2nnn(CC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 12776213 SGBMAGBVDBDPCR-UHFFFAOYSA-N 364.409 2.500 0 40 FEAB CC[C@@](C)(CNC(=O)N(C)CCOc1ccc(F)cc1)N1CCOCC1 48290936 NIUMLTOXGFBKPY-IBGZPJMESA-N 367.465 2.347 0 40 FEAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c(C)c1 9110330 DLYVCAHVNRYCJY-UHFFFAOYSA-N 371.470 2.346 0 40 FEAB COC(=O)c1cccc(NCC(=O)NCc2ccc(OC)c(OC)c2)c1 48355592 HWAGMRPGAQPRQQ-UHFFFAOYSA-N 358.394 2.219 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)COc1c(CO)cc(F)cc1CO 12897881 YAHSSCRVUJTMPD-GFCCVEGCSA-N 363.385 2.075 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12995246 KLOVLUPFRHZLMQ-UHFFFAOYSA-N 368.433 2.235 0 40 FEAB COC(=O)[C@H](NC(=O)CCc1c(C)nc2cc(C)nn2c1C)C(C)(C)C 78823580 MTFOKCFCIDYTTG-KRWDZBQOSA-N 360.458 2.291 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl 25181652 NYVHSUFXMNDJKC-QGZVFWFLSA-N 370.844 2.348 0 40 FEAB CC(C)OCc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 49133148 KOLRNUMQPGWGAZ-MRXNPFEDSA-N 371.524 2.148 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 14229175 UUBXZWUIOILUSL-CQSZACIVSA-N 356.422 2.310 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)c1 14381268 PMTXMVSQUQWZDE-UHFFFAOYSA-N 365.183 2.036 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Br)cc1O 4690156 PVVOUNYLWGGGJQ-BJMVGYQFSA-N 355.188 2.466 0 40 FEAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)c1 6946266 AFVKLQUWKPUGJS-HXUWFJFHSA-N 373.453 2.301 0 40 FEAB COc1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)c(OC)c1 6917556 QMTMZZDYQXEIHW-UHFFFAOYSA-N 355.398 2.330 0 40 FEAB CCOc1cc(-c2nnn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)ccc1OC 15453163 ZVVRCYFWAKFUCY-OKILXGFUSA-N 373.457 2.252 0 40 FEAB CC(=O)N(CCc1ccccc1)CC(=O)NC[C@H]1Cc2ccccc2O1 90168162 AEEBSBPCRGHPSG-LJQANCHMSA-N 352.434 2.198 0 40 FEAB C[C@H]1CN(CCCCNCc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 67452563 WTGOKLFQRMGRQG-CALCHBBNSA-N 357.502 2.461 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCO2 7810758 JQKRCUVWIGIYQW-UHFFFAOYSA-N 351.362 2.314 0 40 FEAB CN(CCCNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 7987343 SIXPQLZOJRSYTC-UHFFFAOYSA-N 364.449 2.498 0 40 FEAB C[C@@H](Sc1nc(N)c2c3c(sc2n1)CCCCC3)C(=O)NC(N)=O 9322594 LUQFTZFTWZYHDU-SSDOTTSWSA-N 365.484 2.218 0 40 FEAB NC(=O)c1cc([C@H]2CCCN(C(=O)Nc3ccc(F)c(F)c3F)C2)n[nH]1 95410237 IMDJVBZHHCDAHT-QMMMGPOBSA-N 367.331 2.337 0 40 FEAB O=C(c1cccc[n+]1[O-])N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 95435831 KHHBVSDLFDCERC-DZGCQCFKSA-N 352.312 2.287 0 40 FEAB COC(=O)[C@@H](CC(C)C)OC(=O)c1ccc(N2CCN(C)CC2)c(F)c1 95456271 XZCMZKXUSQLYLT-QGZVFWFLSA-N 366.433 2.322 0 40 FEAB CN(C)c1ccc([C@@H](CNS(N)(=O)=O)c2c[nH]c3ccccc23)cc1 74036610 ZFQTZURTNJDDQI-MRXNPFEDSA-N 358.467 2.159 0 40 FEAB COCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 36618520 VRKLUIFSDPSYSJ-UHFFFAOYSA-N 355.350 2.303 0 40 FEAB COc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 510670440 XUNAGPPEAZTIQL-QGZVFWFLSA-N 368.437 2.445 0 40 FEAB O=C1CN(C(=O)c2ccc(CNCc3ccc4occc4c3)cc2)CCN1 512087354 ITSBNBKXUWIETF-UHFFFAOYSA-N 363.417 2.295 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCC)cc1 408526326 ATMNOEUFNXHWKT-AWEZNQCLSA-N 356.488 2.449 0 40 FEAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCCCO 32611365 VSOJCCMHAHWWQE-SSDOTTSWSA-N 358.158 2.032 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3cnn(C)c3)cc(C)c21 71195929 WGBCEYUDOWUBGJ-UHFFFAOYSA-N 362.455 2.173 0 40 FEAB O=C(c1cccc(Br)c1)N1CCCN([C@H]2CCOC2)CC1 1565521907 GPBRXVVZIIXRHV-HNNXBMFYSA-N 353.260 2.386 0 40 FEAB O=C(c1ccc2ccccc2n1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331300 YLCKVFQRBGWNTQ-UHFFFAOYSA-N 373.412 2.289 0 40 FEAB Cc1ccccc1OCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40110932 KRFSQZDPUMUNFX-IBGZPJMESA-N 353.378 2.067 0 40 FEAB C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)CCc1ccccc1 222764627 MQYGQRVUOWVXSI-KRWDZBQOSA-N 354.450 2.145 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@@H](N2Cc3ccccc3NS2(=O)=O)C1 83351184 FIGOTWNVJMFWOM-CYBMUJFWSA-N 353.444 2.168 0 40 FEAB C[C@H](Cc1cccc(O)c1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 578006592 LKIFACGAPMGUKZ-RDTXWAMCSA-N 370.449 2.237 0 40 FEAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2 96071510 VPSAQXWSAOJMJL-MRXNPFEDSA-N 356.875 2.370 0 40 FEAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCO[C@@H](C3CCC3)C2)c1C 333990654 JVZZZSOZTTYJLJ-QGZVFWFLSA-N 351.468 2.348 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)[nH]n1 95479554 DHGDSESHTCTYHT-UHFFFAOYSA-N 362.397 2.464 0 40 FEAB CN(C)c1ccc(N[C@H]2CCCN(C(=O)NC[C@H]3CCCO3)CC2)cn1 583624093 TULVQEMYQLCMJQ-DOTOQJQBSA-N 361.490 2.303 0 40 FEAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCO)n2C(=O)N(C)C 96037385 HHMKVCVKKNARBA-UHFFFAOYSA-N 356.426 2.429 0 40 FEAB CNC(=O)[C@H]1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)c2ccccc21 96079304 HTPAZPMGCBBLKY-HNNXBMFYSA-N 352.438 2.125 0 40 FEAB O=C(Cc1ccncc1)N1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 96222356 YVNNEGDFLCVETR-PZJWPPBQSA-N 367.449 2.386 0 40 FEAB CO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(N(C)C)nc2)cs1 585082800 LDRCWLJQOCSDSV-NSHDSACASA-N 370.500 2.132 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 257322578 WGNYCHTUHHZMLL-GFCCVEGCSA-N 356.455 2.402 0 40 FEAB COc1ccc(CC(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1OC 90611479 CMTVYFKDLGJTOF-OAQYLSRUSA-N 355.434 2.283 0 40 FEAB COc1cccnc1C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 632318353 APHKJUASRQAMMY-UHFFFAOYSA-N 368.437 2.007 0 40 FEAB Cc1cnn(C)c1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 1125649211 IKXKAXLGKQEKJH-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](COCc2cccnc2)C1 575406597 PXMABOUZTNQAJZ-GOSISDBHSA-N 364.405 2.398 0 40 FEAB CCc1ncc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 585286441 YIQKTXDTKPMXGS-XHBKTUGNSA-N 359.401 2.126 0 40 FEAB Cc1ccccc1CN1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 585112394 OVUYTFKOVVUOGP-SFHVURJKSA-N 374.510 2.220 0 40 FEAB Cn1ccc(C(=O)N2Cc3cncn3CC[C@H]2COc2ccccc2)n1 585096970 GDVCEDULJYTXLZ-HNNXBMFYSA-N 351.410 2.110 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc3ncccc3c1)[C@H](C)C2 585097722 NFZIHWPDPVJVRF-CYBMUJFWSA-N 351.410 2.060 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 585102092 QXYIJUDCGMZJBW-ICSRJNTNSA-N 352.438 2.380 0 40 FEAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 57748298 DGYXOTBUHICMAY-LBPRGKRZSA-N 371.384 2.389 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2ccnc2)c(F)c1 54224882 SJTHWJFZXOPEDF-UHFFFAOYSA-N 363.352 2.360 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1OCCO2 57115805 XBFZZBRHMLHIPF-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 15997152 WCQWMGACBQRSDI-LJQANCHMSA-N 367.449 2.210 0 40 FEAB CO[C@@]1(CNS(=O)(=O)c2ccccc2Br)CCSC1 96097700 KPUAODKDJVVASU-GFCCVEGCSA-N 366.302 2.250 0 40 FEAB CC[C@](CNS(=O)(=O)c1c(C)nn(C)c1C)(OC)c1ccccc1 96123787 DVSIDQXEKMSSEC-QGZVFWFLSA-N 351.472 2.267 0 40 FEAB O=C(NCC1(OCCO)CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 888106938 GDFRDPNLYTUSGH-UHFFFAOYSA-N 374.359 2.082 0 40 FEAB Cc1nnc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)s1 5886455 NZMMPDLUBNEZSE-UHFFFAOYSA-N 368.528 2.332 0 40 FEAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2S(=O)(=O)N2CCCC2)cc1 12328772 OJRGDWGEMBDFRA-VKJFTORMSA-N 366.483 2.268 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4n3C)C2)cn1 19715503 VMHCUJSHAOYBSD-CQSZACIVSA-N 352.442 2.125 0 40 FEAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1OC 100128380 VVWXGXZGMBYWRQ-GJZGRUSLSA-N 371.437 2.092 0 40 FEAB Cn1cnc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888843190 YYTMHHLHEKGNMR-VXGBXAGGSA-N 365.359 2.042 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)n1)CCC2 1888866951 GKAIUMYLJNWNFC-HUUCEWRRSA-N 367.428 2.016 0 40 FEAB CCc1cc(N2CCN(c3nccn4nccc34)CC2)nc(SC)n1 1888890945 NIQKJBBDBRJODU-UHFFFAOYSA-N 355.471 2.130 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(c4nccnc4C)CC3)nc(C)n2)n1 1889139156 OAIFORZSKXBYEQ-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB COc1ccc(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)cn1 1848625320 VFKAYPHMMIHNJS-UHFFFAOYSA-N 361.833 2.275 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)c1 1565541677 LVDOWLWYYFWRIC-WOJBJXKFSA-N 351.450 2.424 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 8844933 NGTQACFAJYTCBO-IBGZPJMESA-N 371.368 2.240 0 40 FEAB COc1cccc(NC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c1 12342437 GZARUAKCGLIJBO-UHFFFAOYSA-N 365.389 2.108 0 40 FEAB COc1ccc(/C=C/C(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1OC 575615644 GQLBLEPRZGUYJV-MJICGBHWSA-N 374.481 2.334 0 40 FEAB O=c1ccc(C2CC2)nn1CC1CCN(c2ccc3nccn3n2)CC1 585501707 CTILQTOZWVDLRU-UHFFFAOYSA-N 350.426 2.080 0 40 FEAB Cc1nc(N2CC[C@H](COc3ccc4nccn4n3)C2)c2ccncc2n1 2298106485 UKCSRMFMEWAMMM-AWEZNQCLSA-N 361.409 2.281 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 40071138 LDJRIGCSXOJQCU-LLVKDONJSA-N 374.915 2.450 0 40 FEAB CC(C)[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccc1 40092276 VYPQGIQBODOJRD-CVEARBPZSA-N 355.525 2.463 0 40 FEAB C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 40135551 LYVRVGVNRSKZEP-DTWKUNHWSA-N 351.255 2.268 0 40 FEAB CSc1nn(CCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 40287435 OAQDUAONJDHZFM-UHFFFAOYSA-N 363.512 2.268 0 40 FEAB CCN(CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NC 4133687 JJUGPTQLUAVLSX-UHFFFAOYSA-N 360.527 2.485 0 40 FEAB CCOC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 4186287 ORWYPJBPIOYHHB-GDBMZVCRSA-N 364.442 2.395 0 40 FEAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccncc2)S(C)(=O)=O)c1 6044107 BVXADFPLOTZCSM-HNNXBMFYSA-N 361.467 2.169 0 40 FEAB COc1cccc(CC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 32707688 ISJSACFBBIPZMO-UHFFFAOYSA-N 368.433 2.278 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 32893601 UNCLEYRYGCOTQT-UHFFFAOYSA-N 367.877 2.108 0 40 FEAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(C)CC1 59605642 VELKIBJYNVZEJI-UHFFFAOYSA-N 366.425 2.366 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998093 URRIONGHUGYGHP-CHWSQXEVSA-N 350.440 2.156 0 40 FEAB Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)c(C)c1Br 2776665 URNJVPLROJCSJK-UHFFFAOYSA-N 354.252 2.114 0 40 FEAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(OC)cc3OC)C2=O)c1 101275923 IGPDEKXJGNHGIZ-MRXNPFEDSA-N 356.378 2.456 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1O 982524 XHJKGUCUFRRNHQ-TVNQGELYSA-N 351.380 2.389 0 40 FEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCO[C@@H]2CCC[C@@H]21 54449111 AMBXBQOKAPEZOE-RBUKOAKNSA-N 359.470 2.347 0 40 FEAB CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 23639642 HFRLHBPNZRCLPW-UHFFFAOYSA-N 351.878 2.147 0 40 FEAB CN(Cc1ccc(Cl)s1)Cn1nc(CCC(N)=O)n(C)c1=S 23841111 WJUPKDKMPAYQCL-UHFFFAOYSA-N 359.908 2.173 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 54864941 ZRMZKIIEHDTKNJ-LIRRHRJNSA-N 354.406 2.269 0 40 FEAB NC(=O)NC(=O)CN1C[C@@H](c2ccccc2)O[C@H](c2ccc(F)cc2)C1 106147381 FEDMIJCTNXGCQC-IRXDYDNUSA-N 357.385 2.135 0 40 FEAB CCOC(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1 34800885 GMXAJIVHMIFDRJ-UHFFFAOYSA-N 370.247 2.162 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NOCc1ccccc1 25286494 QKQYWQLOCMFVIV-GOSISDBHSA-N 374.462 2.011 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]4[C@@H]4[C@@H]([C@@H]53)[C@]41C)C2 104291246 GITSGAOIQHAXTO-YISVBFIASA-N 353.466 2.436 0 40 FEAB COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCC(N)=O 12557924 PUVGDYDJJBPMJW-UHFFFAOYSA-N 369.421 2.412 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 58178678 QVNFCLHUKISICZ-INIZCTEOSA-N 364.405 2.130 0 40 FEAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 27975267 ODOIUYKLSQAJTM-UHFFFAOYSA-N 373.784 2.036 0 40 FEAB O=C(NC1=NCCS1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3236437 WZJDVXSUPPODOL-UHFFFAOYSA-N 367.496 2.084 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccc(Cl)cc1 2235847 IUXAXIFTGPWSEK-CYBMUJFWSA-N 360.797 2.215 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)C2CCCC2)Oc2ccccc21 20454191 NEHONGRTZCCPMM-INIZCTEOSA-N 352.456 2.005 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1ccccc1N1CCOCC1 58833309 GHGUQXSUDJJRNQ-CQSZACIVSA-N 356.470 2.293 0 40 FEAB Cc1c(Br)c(C(=O)N2CCN(c3ccccc3)CC2)nn1C 28304260 LGSMPFSCGIFHLN-UHFFFAOYSA-N 363.259 2.453 0 40 FEAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 12910341 QXPYZZVXYJCHBH-NEPJUHHUSA-N 368.480 2.344 0 40 FEAB O=C1C[C@H](C(=O)OCc2cc(=O)n3ccsc3n2)c2ccc(F)cc2N1 12936437 QJHDXLYUEWBFHR-LBPRGKRZSA-N 373.365 2.064 0 40 FEAB CC(C)C[C@H]1NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O 6079016 YRDNSPRYIFXCMU-OAHLLOKOSA-N 357.410 2.029 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C)c1ccccc1)C2=O 4287708 FODPRDWOMPXQQY-CHWWFWEZSA-N 357.454 2.407 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2oc3ccccc3c2C)NC(=O)N[C@H]1C 4462951 WCUNDYSDLFDPRT-NSHDSACASA-N 372.377 2.417 0 40 FEAB COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6486673 KNZIMZSZGOXAFP-UHFFFAOYSA-N 374.418 2.140 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2cccc(Cl)c2)CC1 8707539 SUQVWLZQWPONRL-GFCCVEGCSA-N 361.881 2.056 0 40 FEAB O=C(O)CCC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 18219250 JWLAIIWAJIOGBS-KRWDZBQOSA-N 357.341 2.288 0 40 FEAB CCc1ccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1 67263273 RUUGNCPPZXGVBK-UHFFFAOYSA-N 362.437 2.187 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1c[nH]c2ccccc12 7287680 XNEBNWCQASTBNC-UHFFFAOYSA-N 368.437 2.081 0 40 FEAB CCOC(=O)c1cnc2c(cnn2C)c1N1CCC(c2cnn(C)c2)CC1 96011559 ILUCZSHOAOJSSY-UHFFFAOYSA-N 368.441 2.263 0 40 FEAB CN(C)C(=O)CN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 68606374 YSHYLYUQUNCAKH-UHFFFAOYSA-N 372.296 2.205 0 40 FEAB O=C(c1cc[nH]c(=O)c1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 93243555 FNTPSTKDJDOTMC-UONOGXRCSA-N 352.312 2.342 0 40 FEAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)[nH]n1 96001883 IOFWAJGQNVDQJC-CQSZACIVSA-N 355.402 2.259 0 40 FEAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1Cc1ccco1 9314668 BBUHYZKIBODHSA-UHFFFAOYSA-N 365.393 2.073 0 40 FEAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 9737720 RMSRCOFNRXGVCF-HXUWFJFHSA-N 357.454 2.322 0 40 FEAB CCCCNC(=O)CN1CCN(Cc2csc(C(C)(C)C)n2)CC1 96812207 UVLGHJKALNVRSF-UHFFFAOYSA-N 352.548 2.475 0 40 FEAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCS(=O)(=O)C1 71891894 LBOYEAQSZUXPMI-QMMMGPOBSA-N 358.391 2.462 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)OCC(=O)N2CCC[C@@H](C)C2)cs1 95360818 YAGYTGUZHZKKDD-GFCCVEGCSA-N 367.471 2.082 0 40 FEAB O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(Cl)cc1 95399179 HDCNIWADTYCINT-ZFWWWQNUSA-N 364.829 2.231 0 40 FEAB CCN1CCN(CC(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)CC1 72972507 VVWJWFDTACVFLQ-SFHVURJKSA-N 358.530 2.495 0 40 FEAB COCc1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)o1 95998156 YYZVCOGHUBKHOQ-AWEZNQCLSA-N 352.394 2.429 0 40 FEAB CCCN(CCC)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 22705795 NOBSHIXFCSOTAY-UHFFFAOYSA-N 372.487 2.021 0 40 FEAB CCn1cc(CN2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)cn1 306126582 DZIAXUJBVDZPSY-UHFFFAOYSA-N 360.483 2.174 0 40 FEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H](C1CC1)N1CCCC1 123189795 HBBCGWKTOGYSAY-RDTXWAMCSA-N 364.511 2.484 0 40 FEAB COC[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218546051 XMOZQAIUUQOTIE-SOLBZPMBSA-N 364.394 2.483 0 40 FEAB CCc1noc([C@@H](C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 32760207 YKHOPCSBYDKXTN-CYBMUJFWSA-N 364.471 2.136 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)CN1CCCCC1 2362804631 BYMRGBYFYYALNP-FKEKPDDDSA-N 351.491 2.234 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1cccc(F)c1 224213756 BZBPTJNDHQEDNQ-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB COCCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cn1 225929856 HSVPTUQJHNPCPN-UHFFFAOYSA-N 361.423 2.069 0 40 FEAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224188078 ISUHDKUEQKKWCC-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(Cl)cc2C)c1=O 222667091 YMTKEHJWUCJHDL-UHFFFAOYSA-N 365.817 2.028 0 40 FEAB O=C(NCc1cccs1)[C@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 97953805 MVGYVPSARDPPQY-BMGDILEWSA-N 357.479 2.439 0 40 FEAB COc1cc(N2CCC3(CC2)CO[C@@H](COc2cccnc2)C3)ncn1 96217881 XLTMVRFMCOAUKP-MRXNPFEDSA-N 356.426 2.335 0 40 FEAB Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96217863 GMYDTGBUTQOHAE-IIAWOOMASA-N 356.426 2.005 0 40 FEAB CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC2=CCCCC2)CC1 333561610 HCGBPLUNGVVULB-UHFFFAOYSA-N 357.520 2.379 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(OC)nn3)C2)cc1 95480247 PFTUFGAJPKSKIF-OAHLLOKOSA-N 356.426 2.027 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC=CCC1)C2 247952046 CFHWUVVSACMQLE-QWFCFKBJSA-N 350.503 2.319 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(CC2=Cc3ccccc3OC2)C1 257252897 JWORNGYKUQTJSM-OAHLLOKOSA-N 359.451 2.079 0 40 FEAB COCCOCC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257323526 WKPWIWDMEOPQHW-IEBWSBKVSA-N 367.417 2.018 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)c2c(C)noc2n1 257209959 BSNUAFWPHMCGBB-LBPRGKRZSA-N 353.382 2.355 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccc(OC)cc1 257252673 JVRCTMPBLLIVLE-AEFFLSMTSA-N 362.470 2.130 0 40 FEAB OCCOc1cccc(CN2CCC(c3ccn4nccc4n3)CC2)c1 257290700 QDZSLMMXPRWEAQ-UHFFFAOYSA-N 352.438 2.480 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 257259808 LADAAPLFOKENGJ-QGZVFWFLSA-N 354.458 2.099 0 40 FEAB COc1ccc(F)cc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 618201210 RYFZJGQRDVUANC-UGSOOPFHSA-N 357.385 2.179 0 40 FEAB COCCn1cc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cn1 86990129 KYCYNIPNNQCQPB-LBPRGKRZSA-N 365.384 2.208 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1 96120480 HSQHMVJDVBYYOM-UHFFFAOYSA-N 372.468 2.109 0 40 FEAB O=C(CCc1cc(Cl)no1)N1CC[C@@](O)(COc2ccccc2)C1 585276375 NNWZQWORUZIFCC-KRWDZBQOSA-N 350.802 2.303 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCN(Cc3cccc(OCCO)c3)C2)cc1 585273466 VRZWTPQCFIXVAF-OAQYLSRUSA-N 357.450 2.382 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 585100966 MVCWZIPOCAKHSA-FQEVSTJZSA-N 368.412 2.271 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 585095783 KJQHSAXFZPRQQG-OAHLLOKOSA-N 368.393 2.281 0 40 FEAB COc1nocc1CCC(=O)N1CC[C@@H](O)[C@H](Cc2ccc(C)cc2)C1 585276475 OZDQKRBADMZICE-QZTJIDSGSA-N 358.438 2.376 0 40 FEAB Cc1ccccc1S(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 585112880 XTDSBRLASGRNJS-SFHVURJKSA-N 374.510 2.423 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1cccc(C)c1 585290917 ITYPFHKSWYMCCE-WJCJLTOMSA-N 372.509 2.289 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(N2CCCCC2=O)c1 55662200 AYCOATSRYAPASP-AWEZNQCLSA-N 369.421 2.231 0 40 FEAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)c(Cl)c1 56059079 GMNVRJHPEIWZCJ-UHFFFAOYSA-N 370.837 2.216 0 40 FEAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 82982779 AWCQVOCPCMSHKC-AWEZNQCLSA-N 357.439 2.014 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 643994446 GPLUFCUHVUPYST-FQEVSTJZSA-N 353.422 2.273 0 40 FEAB COc1ccc(-c2cc(C)nc(SCC(=O)N3CCOCC3)n2)cc1 5541524 CPVIWWAFPGIDDP-UHFFFAOYSA-N 359.451 2.412 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2cnccn2)CC1 11546054 FZOCGIRXJYIUKB-UHFFFAOYSA-N 351.385 2.435 0 40 FEAB COc1ccc(C2(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 12362019 WPGIJVGHRUXNJY-UHFFFAOYSA-N 374.418 2.108 0 40 FEAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cnc(C)n2C)n1 19573789 DVGZTSUMOLFHEF-GOSISDBHSA-N 357.458 2.198 0 40 FEAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@@H]2CCCN(C)C2)n1 19655569 XBFMVKLFDHRNGU-MRXNPFEDSA-N 364.453 2.049 0 40 FEAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 648119360 LFYHXJIAWSFFHS-SNVBAGLBSA-N 373.356 2.087 0 40 FEAB O=C(N[C@H]1CCN(CC(F)F)C1)N1Cc2cnn(-c3ccccc3)c2C1 668416461 XLMRDIIEUQQMLQ-AWEZNQCLSA-N 361.396 2.237 0 40 FEAB C[C@@H](NC(=O)CN1CCN(c2ccccc2O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 589053621 DOEHRFPFUGMHNU-VSZNYVQBSA-N 357.498 2.455 0 40 FEAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)OCC)cc1 4525214 DUCXYENPDMCBED-UHFFFAOYSA-N 365.382 2.254 0 40 FEAB O=C([C@@H]1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCSCC1 1889139160 QWGZPQOBQQZNDF-AWEZNQCLSA-N 367.858 2.262 0 40 FEAB Cc1ccc(OCc2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1 22192201 IAUCVTDTIKRADX-UHFFFAOYSA-N 369.450 2.498 0 40 FEAB O=C(CCn1ccnc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912331 JWLUPEPUZCIONV-IBGZPJMESA-N 361.417 2.235 0 40 FEAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4cnc(C)nc4)C3)C2)n1 2056223923 HNLSCIDOFVJQEH-HXUWFJFHSA-N 366.469 2.406 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(CC3CCCCC3)CC[C@@H]12)NCc1ncccn1 1565550597 DFKMZARJPDXWBJ-QRVBRYPASA-N 372.513 2.400 0 40 FEAB O=C(N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1)C1(F)CCC1 1565555640 MGCSVYMDXHRYEJ-CQSZACIVSA-N 358.460 2.006 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565552473 VUBSVCKKHMNGJT-UHFFFAOYSA-N 357.801 2.214 0 40 FEAB CC(C)Sc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 4139125 KIOZJMAHGZBMMR-UHFFFAOYSA-N 360.414 2.334 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cscn2)C1 2055751230 XIQHQMJKZSSOLH-SFHVURJKSA-N 358.467 2.318 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CCC(COc2ncccn2)CC1 1775969356 MYFUBSNZQWFJAL-UHFFFAOYSA-N 355.394 2.179 0 40 FEAB CCSc1ccccc1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70999304 ZEWPYSLYPWRSJO-UHFFFAOYSA-N 368.422 2.126 0 40 FEAB O=C(Cc1csc(-c2ccccc2)n1)N1CCN(c2ncccn2)CC1 8191465 PCPGNNOBHOAWDJ-UHFFFAOYSA-N 365.462 2.491 0 40 FEAB CC(C)c1nc(CC(=O)NCc2cccnc2N2CCOCC2)cs1 32637853 RDGDQOCPCAFWQT-UHFFFAOYSA-N 360.483 2.357 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8379548 SXOIXZJAEIWTHV-RDTXWAMCSA-N 358.463 2.329 0 40 FEAB O=C(CNC(=O)c1ccoc1)NCCOc1ccc(C(F)(F)F)cc1 54031417 UHQAQVAPSUBGDM-UHFFFAOYSA-N 356.300 2.223 0 40 FEAB O=C1O[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccccc21 12458415 DULJZKGNYYETGC-LJQANCHMSA-N 350.418 2.113 0 40 FEAB CCCN1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 23409089 OKODPXKBBSCWRO-UHFFFAOYSA-N 351.878 2.404 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 24087988 QCDJULKKOGCSLU-SOUVJXGZSA-N 358.438 2.356 0 40 FEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)C2CCC2)CC1 24527815 NIRGZLIRAZWPQP-MRXNPFEDSA-N 350.846 2.498 0 40 FEAB CC(C)[C@H](CNC(=O)NCc1ccccc1-n1ccnc1)N1CCOCC1 56895069 SJOVPXYNBCJVBH-IBGZPJMESA-N 371.485 2.028 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2CCN(c3ccccc3O)CC2)c1 57273609 SFOXEOHIEHNJBZ-UHFFFAOYSA-N 371.437 2.170 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 57477557 CHSWUAADWBSJMC-UHFFFAOYSA-N 355.369 2.351 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cn2)CC1 12613692 XRAKVOAIRMJJHR-UHFFFAOYSA-N 362.437 2.271 0 40 FEAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1c[nH]c2ccccc12 58172197 STISPOMRPYLAKV-UHFFFAOYSA-N 357.435 2.017 0 40 FEAB O=C(NCc1ccco1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58209154 YGTXKSSRAFDXMR-IRXDYDNUSA-N 365.389 2.170 0 40 FEAB CCOC(=O)N1CCC(OC(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 58265018 VXSOEKVKFWYESK-UHFFFAOYSA-N 369.439 2.258 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCCN(C)C)c1 10312696 DBEUEGRMOMJDFB-UHFFFAOYSA-N 371.437 2.248 0 40 FEAB COC(=O)c1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12606270 TZNXWWFBYQCMPT-UHFFFAOYSA-N 362.407 2.445 0 40 FEAB CCCNC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC 28002634 VRGJEUKQTJRLKD-MLGOLLRUSA-N 367.877 2.127 0 40 FEAB COc1ccccc1CCNC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 23691929 MDZTVJKWSGDFAW-INIZCTEOSA-N 368.433 2.416 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 3392205 MGRHRZDHFGEASL-GFCCVEGCSA-N 357.362 2.286 0 40 FEAB c1ccc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)nc1 48230045 YWNFZBSYFKNXLB-UHFFFAOYSA-N 352.467 2.313 0 40 FEAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C)C(N)=O)cc3C2=O)c1 3471819 ZDPRQIITGDZLSA-GFCCVEGCSA-N 366.373 2.135 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 12932936 XVQZFDKUADAPJG-IBGZPJMESA-N 367.449 2.272 0 40 FEAB Cc1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714662 ZMQPXXXRKQDNAP-UHFFFAOYSA-N 368.433 2.414 0 40 FEAB COc1cc(C(=O)OCC(=O)NC(C)(C)C)cc(Br)c1O 14199073 FKNKZRHIINIJKA-UHFFFAOYSA-N 360.204 2.235 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 65764062 SLMVUUMRHDNVBF-ZETCQYMHSA-N 351.211 2.262 0 40 FEAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2ncccn2)n1 9114200 OBRTZWXZFRJUBN-UHFFFAOYSA-N 355.427 2.108 0 40 FEAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nn1cnnc1 5783035 KDSKEICGVRHJHI-UHFFFAOYSA-N 362.802 2.153 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 67198119 NTZBXIKOGNWFCY-UHFFFAOYSA-N 363.316 2.225 0 40 FEAB Cn1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccccc4)cnc2CO3)n1 306123521 APGFODJWHPHFSR-FQEVSTJZSA-N 363.421 2.099 0 40 FEAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 7278400 BVWXQQYJUULJSZ-IBGZPJMESA-N 369.446 2.100 0 40 FEAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C[C@H](C)O1 7785242 UCLCLGIZNVFIND-IUCAKERBSA-N 352.740 2.156 0 40 FEAB C[C@]1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CCOC1 96014135 IASOKYDHAPZAEX-SJCJKPOMSA-N 351.834 2.339 0 40 FEAB COc1cccc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 9449714 MCSVAJNZSHHNNV-UHFFFAOYSA-N 353.422 2.363 0 40 FEAB C[C@@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCc2ccccc21 97002174 HKWJHKUIBZHQJT-AWEZNQCLSA-N 373.478 2.126 0 40 FEAB C[C@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H](C)C1 97020913 WFXJJXZTZROZFG-VHSXEESVSA-N 352.236 2.395 0 40 FEAB O=C(NCc1ccncc1)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1 97124734 HJCCICUIFXALDG-OAHLLOKOSA-N 360.414 2.444 0 40 FEAB O=C(Nc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 84549739 BUXYPPXBXILMQV-MRXNPFEDSA-N 355.369 2.394 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 84718104 QLGOKMWZNZDBTF-CHWSQXEVSA-N 368.389 2.391 0 40 FEAB O=S(=O)(Nc1ccccc1S(=O)(=O)N1CCCC1)c1cccs1 95995683 MTUPYTMGCSRPIH-UHFFFAOYSA-N 372.493 2.333 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1 20739911 DMIZUMNCVVYYCZ-UHFFFAOYSA-N 355.329 2.230 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCC 408594182 SSXBGGAURSOROH-IZZDOVSWSA-N 368.773 2.115 0 40 FEAB CCN1C(=O)N/C(=C/c2cc(Br)c(OC)cc2OC)C1=O 409221992 AONQJLFNDFOGSY-UXBLZVDNSA-N 355.188 2.379 0 40 FEAB Cc1c(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cnn1C 36752063 BHYUMCIYLQAAHW-OAHLLOKOSA-N 366.469 2.498 0 40 FEAB Cc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(CC(C)C)n3)CC2)n1 79478646 OHDUQOOCZXAJDI-UHFFFAOYSA-N 357.462 2.265 0 40 FEAB CCCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217668049 HIXYVKBTWKPAHN-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CN)n(C)n2)cc1OC 35415841 MCFXKATUFJKKGP-IMJJTQAJSA-N 356.470 2.241 0 40 FEAB biogenic,in-vitro CCOC(=O)Nc1cccc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 32828498 LVYRPGSSDHNXAU-KFWWJZLASA-N 363.458 2.483 0 40 FEAB c1cncc(-c2nnc(SCCN3CCOCC3)n2Cc2ccco2)c1 35313006 NAVYIDJQAWEFDC-UHFFFAOYSA-N 371.466 2.406 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(OC(C)C)c2)s1 225434928 QPVIDOUUCPRQII-UHFFFAOYSA-N 356.429 2.085 0 40 FEAB CCNC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(N)c1 225442388 FRPAZQGBUYQXFJ-UHFFFAOYSA-N 354.454 2.354 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)c1 96226839 ILFNLDBJVHCIGD-IEBWSBKVSA-N 371.462 2.429 0 40 FEAB Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107771 LTCNHIUGHXPUNM-APWZRJJASA-N 357.410 2.277 0 40 FEAB Cc1nnc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccccc4)C3)C2)o1 96240591 LFMSMGHBGWJXEK-HKUYNNGSSA-N 358.442 2.098 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)cc1 96101508 QKTAPKKXYVLSKI-OAHLLOKOSA-N 356.426 2.142 0 40 FEAB O=C(NC1CCCCC1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96240012 OPVNFIHHQBIGQF-UHFFFAOYSA-N 373.501 2.438 0 40 FEAB Cc1cccc(CN2CC[C@@]3(c4ccccc4)CN(CCO)C[C@H]3C2)n1 247859933 FMBJSWHIPNBKLB-IRLDBZIGSA-N 351.494 2.458 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCNc2ccccn2)ncn1 248090988 FNWFGUGFHOZXOI-OAHLLOKOSA-N 354.458 2.035 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cnccn2)c2ccccn2)CC1 257217571 CZNZQNKFSWOODV-BXWFABGCSA-N 367.453 2.285 0 40 FEAB CNc1cc([C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)ccn1 257285595 PHXFLYDACKRCFW-HNNXBMFYSA-N 350.426 2.274 0 40 FEAB O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CCCC[C@H]1n1cccn1 585140010 MUIOBKFTEQELND-IAGOWNOFSA-N 369.473 2.125 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2nccn2C)CC1 257332452 XXJVTMAPYKBRIR-BQFCYCMXSA-N 369.469 2.229 0 40 FEAB COc1ccc2c(CC(=O)N(CC(=O)O)C3CCOCC3)coc2c1C 630132440 TYZUANASTNDXBJ-UHFFFAOYSA-N 361.394 2.385 0 40 FEAB O=C(c1ccccc1)N1CCN(Cc2nnc3n2CCCCCC3)CC1 630952069 VQXDRQDVJNNLME-UHFFFAOYSA-N 353.470 2.353 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CCc3cccc(C(=O)O)c3C2)NC1=O 649257457 KRSBGOAYOGNBMB-NSHDSACASA-N 366.373 2.303 0 40 FEAB Cn1cnnc1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 655293282 JNRINVQGNYEDSB-UHFFFAOYSA-N 361.449 2.296 0 40 FEAB COc1cccc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2N)c1 91434729 GIRURQXJSBLOTB-SJORKVTESA-N 364.449 2.457 0 40 FEAB CCN(C)[C@@H](C(=O)N1C[C@@H](OC)C[C@@H]1c1nnc(C)o1)c1ccccc1 1775957475 WVFDUHCFOCOOGD-GVDBMIGSSA-N 358.442 2.359 0 40 FEAB CNc1cc(C(=O)N2CC[C@H](OC)[C@H](Cc3ccc(F)cc3)C2)ccn1 585277349 SNFFMGYFYWXQHS-AEFFLSMTSA-N 357.429 2.982 0 40 FEAB CCn1c(I)nc(I)c1C 675031441 KIAVPOZJJIPPHB-UHFFFAOYSA-N 361.952 2.421 0 40 FEAB COc1ccc([C@H](C)NC(=O)Cn2cnc3sccc3c2=O)cc1F 57909594 NZRXMWPFDXZOLE-JTQLQIEISA-N 361.398 2.483 0 40 FEAB CCCC(=O)N[C@H](CCSC)C(=O)Nc1ccc2oc(=O)[nH]c2c1 68342886 WJRWWYFQSSSZLY-LLVKDONJSA-N 351.428 2.098 0 40 FEAB COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599477665 IZYZKPFDTDIOAD-ZKYQVNSYSA-N 359.344 2.436 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)Cc2ccccc2)c1 5260052 IPILIZFYKKYOFZ-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC(C)(C)C)nc4c23)C1 12240208 ZQAPCVZWKLQXJV-JTQLQIEISA-N 373.482 2.145 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C(=O)OC 12615538 LKBFHCPWHVDKIP-HNNXBMFYSA-N 361.467 2.134 0 40 FEAB CCC(CC)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 13042384 MNWXAEPHYIEDGF-UHFFFAOYSA-N 352.378 2.446 0 40 FEAB Cc1nn(CC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)c(C)c1C 19556417 UXGFRIDIDNCNNK-OAHLLOKOSA-N 352.398 2.227 0 40 FEAB O=C(CN1CCC[C@@H](Cn2ccnc2)C1)Nc1ccccc1-n1ccnc1 19717441 NHUUWHHBBYUFCU-QGZVFWFLSA-N 364.453 2.420 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCn1c(C)csc1=O 7191760 UBMYUJKYUCPKIC-LBPRGKRZSA-N 364.423 2.187 0 40 FEAB COCc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 28055492 NZQYNWJWGTUFHV-UHFFFAOYSA-N 363.435 2.473 0 40 FEAB O=C(CCc1cncnc1)N1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 1614927339 JPDUGASPXWOMFC-FQEVSTJZSA-N 356.470 2.193 0 40 FEAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)N1CCCC1 4940084 VOFLRKQHTNWFIY-UHFFFAOYSA-N 359.451 2.088 0 40 FEAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(C(C)(C)C)cn12 8704267 FQFYRBIWAZVYGN-UHFFFAOYSA-N 370.384 2.426 0 40 FEAB CCCOc1nn(CCC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 9070711 GEGHXCZZZZQBLT-UHFFFAOYSA-N 374.441 2.273 0 40 FEAB C[C@@H](NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1)c1ccccc1 12233572 VZQJQMKDXPUXGA-CQSZACIVSA-N 361.405 2.281 0 40 FEAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cn(C)nc1OC 12422619 MQVUNHHWMDBZHK-UHFFFAOYSA-N 372.454 2.438 0 40 FEAB Cc1nc(CN(C)C2CN(c3ncnc(-c4ccc(F)cc4)c3F)C2)no1 1775974530 IUTHHOURLXOJPW-UHFFFAOYSA-N 372.379 2.434 0 40 FEAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 100168773 CTWTVHMQDVBVGF-WFGGJUAMSA-N 353.296 2.165 0 40 FEAB CN(C1CCN(c2ncccc2C(F)(F)F)CC1)S(=O)(=O)C1CC1 2086889403 SRBZHKKMPNBIMX-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB CCOC(=O)C1CCN(C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 40104001 JJHULHNVYLQWFV-UHFFFAOYSA-N 363.414 2.461 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 31496642 LVHHXZPJXAIOGG-UHFFFAOYSA-N 373.438 2.173 0 40 FEAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc(F)c(F)c1 31790712 IAWCXPNFHVDFKR-UHFFFAOYSA-N 350.712 2.244 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 29071027 BMXPDXYLVKAIIB-SFHVURJKSA-N 362.389 2.270 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)CCNC(=O)NCc2ccccc2)c1 32360204 KUSHNQGFIUFFAQ-UHFFFAOYSA-N 368.437 2.151 0 40 FEAB COc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3378036 BZTZIYZDEQVOGQ-UHFFFAOYSA-N 354.328 2.235 0 40 FEAB CCCCn1c(SCC(=O)NC(=O)NCC)nc2ccccc2c1=O 3515498 HUVGZQNUZDMUSI-UHFFFAOYSA-N 362.455 2.134 0 40 FEAB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387385 PHQUVNZHPNRIJE-GBIKHYSHSA-N 366.723 2.124 0 40 FEAB COc1ccc(OC)c(CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 32909903 ZATSBOVADXSZKY-KRWDZBQOSA-N 356.378 2.110 0 40 FEAB CCOc1cc(CNCCCNC)ccc1OCC(=O)NC(C)(C)C 8254409 ABVIWHTXTJXHPO-UHFFFAOYSA-N 351.491 2.078 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn3ccccc3n2)C1=O 9338022 UIXUKMXOVCRWKJ-IBGZPJMESA-N 364.361 2.030 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cccc(Cl)c1 817296 BQZOBIIWUIEMRY-UHFFFAOYSA-N 352.843 2.422 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCCc3csc(C)n3)CC2=O)cc1 23056244 DRDOIGUMRUWRFL-CYBMUJFWSA-N 359.451 2.172 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccccc1Cl 101916658 ATMIGLNSUKCAAX-BGHFTGAHSA-N 356.809 2.332 0 40 FEAB CC[C@@H](c1nnnn1CCOC)N1CCN(c2cccc(C)c2C)CC1 57669978 SNCXJOWIHTWRLA-KRWDZBQOSA-N 358.490 2.210 0 40 FEAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccccc1 51316833 AFYGBQGEWURZIR-UHFFFAOYSA-N 351.391 2.258 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 47927052 WYXHDPYQWAQXKU-INIZCTEOSA-N 371.470 2.457 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)o2)C1=O 58195895 UJOFWHLUQHXSSY-LJQANCHMSA-N 371.393 2.392 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)NCCCNC(=O)c1ccccc1F 58266571 FEOQVJDFRJWEIZ-UHFFFAOYSA-N 371.478 2.045 0 40 FEAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 12602796 RKFLKJQKLRCCKQ-UHFFFAOYSA-N 362.542 2.113 0 40 FEAB CC(=O)NCCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 58341835 VJEUYUCXFJSWLO-UHFFFAOYSA-N 350.422 2.227 0 40 FEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2 45075294 IFWWBLAZWZVCDR-AWEZNQCLSA-N 356.463 2.291 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)CC1 3346144 CCRQIVPKRVZJGE-LBPRGKRZSA-N 355.866 2.322 0 40 FEAB C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(S(N)(=O)=O)cc1 3418171 XYOVOZMXRNCTGT-JTQLQIEISA-N 370.377 2.426 0 40 FEAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3546076 PIJCMUBANIEAQN-UHFFFAOYSA-N 371.437 2.157 0 40 FEAB Cc1cccc(C)c1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 18023108 WSPQIVGSZUUTAS-UHFFFAOYSA-N 359.426 2.214 0 40 FEAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 5100753 CABNIMFKXIYIDV-MRXNPFEDSA-N 371.359 2.202 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC(C)(C)N1CCOCC1 14183866 CBEYIXDYGZPBEN-UHFFFAOYSA-N 370.497 2.389 0 40 FEAB CN(C(=O)COc1ccc(Cl)cc1Cl)[C@]1(C)CCS(=O)(=O)C1 4505172 ZQGJPPDPHZYHCJ-CQSZACIVSA-N 366.266 2.408 0 40 FEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 14230607 GCYVVHHJUCOOLG-IBGZPJMESA-N 371.462 2.308 0 40 FEAB CCCn1c(-c2ccccc2)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 5453825 PFJWTMLPJVCRPG-UHFFFAOYSA-N 351.410 2.072 0 40 FEAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(OC(F)F)cc1 5672634 ADRHJICCRMNYJW-UHFFFAOYSA-N 361.308 2.281 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2C2CC2)c1C 9076963 AKWWSWARLJAYIF-SNVBAGLBSA-N 363.443 2.493 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3ccc(NC(C)=O)cc3)n2n1 71284797 RIMDRZHONDJQTC-UHFFFAOYSA-N 368.397 2.053 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 4968851 ZDEZXZPGNHOZMM-UHFFFAOYSA-N 369.487 2.095 0 40 FEAB CC(=O)N(CCc1ccccc1)CC(=O)NC[C@@H]1Cc2ccccc2O1 90168160 AEEBSBPCRGHPSG-IBGZPJMESA-N 352.434 2.198 0 40 FEAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc(Cl)c3)no2)cn1 96001761 MKFAKTQZBMQXAI-AWEZNQCLSA-N 373.800 2.337 0 40 FEAB Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 7840040 AAXXZINDNAFVQP-LBPRGKRZSA-N 354.362 2.231 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 16699408 DCPGJAMHSCPTMX-HXUWFJFHSA-N 351.406 2.160 0 40 FEAB Cc1ccc(OCCNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 23038782 USFVEQRCXUUDJK-UHFFFAOYSA-N 373.453 2.087 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(O)cc2)CC1 97654542 MSDXSOCERQUCDB-UHFFFAOYSA-N 350.374 2.461 0 40 FEAB CNC(=O)c1ccc(C)c(NC(=O)CNC(=O)Nc2cccc(C)c2)c1 24923678 POLJGXMYZDYEAF-UHFFFAOYSA-N 354.410 2.423 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 408611521 SVDYXHXUJMHKMN-INIZCTEOSA-N 363.483 2.365 0 40 FEAB O=C(/C=C/c1cccs1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 306132638 LODFGKRCWJKTRR-NNTXTVRGSA-N 357.435 2.390 0 40 FEAB COc1ccc([C@@H](NCC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 60089075 YXDVWQIGNSHNLJ-FQEVSTJZSA-N 358.413 2.372 0 40 FEAB CCOc1ccc2[nH]c(=O)c(/C=C3/SC(=N)N(C(C)=O)C3=O)cc2c1 35147606 XCJBKJGPDXWVQZ-RRMXTAKFSA-N 357.391 2.324 0 40 FEAB CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1cccs1 32857815 SAIYEXGBTKIZNB-APWZRJJASA-N 371.506 2.474 0 40 FEAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cnn(C)c1C)SCC(O)=N2 79494612 PFZCMMYXRKUYHH-AWEZNQCLSA-N 355.427 2.437 0 40 FEAB Cc1[nH]c2ccc(C(=O)NCC(C)(C)N3CCS(=O)CC3)cc2c1C 74135699 CYRKTALHBVVVKV-UHFFFAOYSA-N 361.511 2.357 0 40 FEAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080957 XWZKPRMZXRALBA-OAHLLOKOSA-N 368.499 2.402 0 40 FEAB COc1cccc(OC)c1C(=O)NCC1CCN(c2ncccn2)CC1 43977224 LDXMYZXGBWUMPZ-UHFFFAOYSA-N 356.426 2.140 0 40 FEAB O=C(NCCn1ccnc1C1CC1)c1ccccc1S(=O)(=O)C(F)F 225567297 MSRCFBWIHAYUBM-UHFFFAOYSA-N 369.393 2.187 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(F)c2)cc1C 224649394 YNQDSATWRRETTJ-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3occc3Br)CC2)no1 81568572 GKEAOPOXFGMISA-UHFFFAOYSA-N 354.204 2.297 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223012832 PEVNSNXDWOERNP-JTQLQIEISA-N 354.457 2.176 0 40 FEAB COc1ccc(CN2C[C@H]3CN(Cc4ccncc4)CCN3C2=O)cc1 85436192 MTEDZTJHLXMCFV-GOSISDBHSA-N 352.438 2.212 0 40 FEAB biogenic,in-vitro COc1ccc(CN2C[C@H]3CN(Cc4ccncc4F)CCN3C2=O)cc1 85436197 BKJWPHZAPZWSAU-QGZVFWFLSA-N 370.428 2.351 0 40 FEAB biogenic,in-vitro CCc1cc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)ccc1OC 225280384 NDQGMWKPAKOZIQ-AWEZNQCLSA-N 363.435 2.376 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 227206061 MZGSRJKLQJEMBE-HUUCEWRRSA-N 367.515 2.434 0 40 FEAB O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(F)c(Cl)c1 77099984 MHCKPRFSOXJBGT-MRXNPFEDSA-N 371.817 2.428 0 40 FEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C1 96161800 HVKJYIBYGOXWII-OKILXGFUSA-N 357.435 2.076 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 96047128 DMUIFJWHFHFPQK-HXUWFJFHSA-N 353.422 2.372 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)cc1 96052024 IMJWWMLLRMXRHX-TZIWHRDSSA-N 360.498 2.399 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2=O)c1 96050698 IYXPJMJEEUICMK-NRFANRHFSA-N 372.465 2.073 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049012 UYFMXBCJXSWUPW-UHFFFAOYSA-N 360.389 2.029 0 40 FEAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)COc1ccccc1C)CC2 247838319 JXJKPCMMBQGLJY-SFHVURJKSA-N 374.481 2.107 0 40 FEAB O=C1C[C@@H](Sc2nnc(-c3ccncc3)[nH]2)C(=O)N1c1ccccc1 256055365 DLLMTDMFKBZIAC-CYBMUJFWSA-N 351.391 2.291 0 40 FEAB Ic1cnn2c1OC[C@H](OCc1ccccc1)C2 256050867 GUSAFZMTODGVFS-LLVKDONJSA-N 356.163 2.466 0 40 FEAB COCCN1CCC[C@@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257327973 XDQCTKRBHKWSGN-AWEZNQCLSA-N 356.426 2.138 0 40 FEAB C[C@]12CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H]1CCC(=O)N2 257209023 BOQNESIIUSGVKW-JSGCOSHPSA-N 362.373 2.137 0 40 FEAB COC(=O)c1cc(CNC(=O)NCc2cc(C(=O)OC)c(C)o2)oc1C 41486738 RLEOQUVSGAFEIQ-UHFFFAOYSA-N 364.354 2.062 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCc2cccs2)n1 257300291 RTSWOUNCAQAQGH-KRWDZBQOSA-N 358.467 2.471 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC12CC=CC2 645494131 VRZAWSYJLFHZKY-XHSDSOJGSA-N 369.531 2.091 0 40 FEAB NC1(CNC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)CCCC1 659439648 IRERHHNPZPIVIN-UHFFFAOYSA-N 367.453 2.405 0 40 FEAB CC(C)(CNc1nc(NCCO)c2ccccc2n1)[C@@]1(O)CCCOC1 664552199 IHGIXTJWEBQXFI-LJQANCHMSA-N 360.458 2.014 0 40 FEAB C[C@H](Sc1nc(CC(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)cs1)C(N)=O 1631035838 DQAGPISIKHGZAE-KHQFGBGNSA-N 365.484 2.137 0 40 FEAB CC[C@@H](C(=O)N1CCC(NC(=O)C(C)(C)C(=O)O)CC1)c1ccccc1 567969062 LMSWOMNGIWBYJQ-MRXNPFEDSA-N 360.454 2.398 0 40 FEAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575423327 PFQMFYRPJQDHJW-LSDHHAIUSA-N 359.513 2.280 0 40 FEAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cccc(O)c1 585098726 YAOOIXJDTGTRAF-ZDUSSCGKSA-N 368.437 2.017 0 40 FEAB O=C(C1CC1)N1CCN(c2nc(Nc3ccccc3)c3nc[nH]c3n2)CC1 663335120 VBOQXXKBUKZQLH-UHFFFAOYSA-N 363.425 2.155 0 40 FEAB C[C@H](Nc1ccc(F)c(NC(=O)c2ccsc2)c1)C(=O)NC(N)=O 56158116 MIEXKAICADMKMV-QMMMGPOBSA-N 350.375 2.135 0 40 FEAB CCn1cc(C(=O)N2CCN(C)CC23CCCC3)c(=O)c2ccc(C)nc21 85558055 AGOHBIISMNPNLE-UHFFFAOYSA-N 368.481 2.425 0 40 FEAB COc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(N)c1F 1648017844 PDDITYNVZDPTLD-MGCOHNPYSA-N 353.394 2.202 0 40 FEAB COc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc(OC)c1 12222554 YKOXCRXZKURCAQ-UHFFFAOYSA-N 369.469 2.235 0 40 FEAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N(C)C)C1=O 12241932 ZIQUAEMMKSWKCE-CQSZACIVSA-N 356.378 2.103 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15572488 DLERAFAWTYRKFT-NSHDSACASA-N 354.366 2.110 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2CCc3ccccc3C2)cc1 16442964 AWLQRMJFXRVDHF-UHFFFAOYSA-N 351.450 2.450 0 40 FEAB Cc1ccn(C[C@@H](C)C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19237903 VCMLHDDDQORFBA-UKRRQHHQSA-N 365.437 2.080 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C[C@@H](C)O1 19497480 OVTHWPNCUIDDDC-HZPDHXFCSA-N 359.470 2.360 0 40 FEAB CCOc1ccc([C@@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 19532732 QGZZCXUZWKSEHJ-IBGZPJMESA-N 372.517 2.455 0 40 FEAB COc1ccc(OC)c([C@@H]2NC(=O)NC3=C2C(=O)N(CCC(C)C)C3)c1 9317407 XKJMGNNQPUCQDP-KRWDZBQOSA-N 359.426 2.200 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1ccc(F)cc1 4251256 NASSFMIIVYUFJX-UHFFFAOYSA-N 354.337 2.421 0 40 FEAB CC(C)n1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 1848355362 USHGHHDSEGJNPH-CQSZACIVSA-N 363.487 2.135 0 40 FEAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)CNC(=O)c1ccco1 32912109 KMQKOHNLEQYSBY-UHFFFAOYSA-N 366.421 2.253 0 40 FEAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2457030 IZUXQHKPLJONPL-UHFFFAOYSA-N 352.416 2.051 0 40 FEAB COC(=O)[C@](NNc1ccccc1C)(NC(=O)c1ccco1)C(F)(F)F 3616614 OASUIQLQICIDLV-OAHLLOKOSA-N 371.315 2.366 0 40 FEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccco2)o1 4496310 AZNDKDLWJXULEN-UHFFFAOYSA-N 365.342 2.271 0 40 FEAB CCOC(=O)[C@](NC(=O)NC(C)=O)(Nc1ccccc1C)C(F)(F)F 5736897 VTOJSCXOEWKIKU-CQSZACIVSA-N 361.320 2.074 0 40 FEAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1 7418896 AMXDYZMEVBZQAE-UHFFFAOYSA-N 373.800 2.487 0 40 FEAB O=C(NCc1ccco1)[C@H]1CO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055708153 RVTRTOGSCFISTH-OQMFPJLBSA-N 372.446 2.144 0 40 FEAB Cn1ccc(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1=O 1775973632 LSFLNTMKFDIFGD-UHFFFAOYSA-N 361.449 2.165 0 40 FEAB CCN1CCN(C(=O)NCc2cc(-c3ccsc3)cs2)C(=O)C1=O 1775969839 NNQKEEWFQYRSCO-UHFFFAOYSA-N 363.464 2.377 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCC1CCN(c2ncccn2)CC1 43955418 UVSWFVZIQQBZMN-NTEUORMPSA-N 358.467 2.283 0 40 FEAB O=C(COc1ccccc1F)N1CC(c2nc(-c3ccccn3)no2)C1 49031977 NENLHMAESRGBOF-UHFFFAOYSA-N 354.341 2.276 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccco2)cc1 206866071 ZBIIDJNIQMAGCM-AWEZNQCLSA-N 354.384 2.124 0 40 FEAB COc1cccc(NC(=O)NCC2CCN(C(=O)N(C)C)CC2)c1OC 390830476 LIFIYLFNHHHFEF-UHFFFAOYSA-N 364.446 2.219 0 40 FEAB Cn1ncc2c(SCC(=O)Nc3ccc4c(c3)OCCCO4)ncnc21 11682872 PKGBMGRJFMDVIK-UHFFFAOYSA-N 371.422 2.255 0 40 FEAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2157837 UOBHIOWKLLBQGW-UHFFFAOYSA-N 369.373 2.470 0 40 FEAB biogenic CC(C)N1C(=O)C[C@H](NC(=O)Nc2cccc(-c3nccs3)c2)C1=O 101631393 BWBDBPAMMQCZHL-ZDUSSCGKSA-N 358.423 2.468 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)NC2Cc3ccccc3C2)C1 4079500 KBCCVLIJGWOPKB-PBHICJAKSA-N 365.502 2.309 0 40 FEAB CCOC(=O)c1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1 4400658 PSJJZUSBTGJHEC-UHFFFAOYSA-N 367.456 2.057 0 40 FEAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC2CCCC2)cc1 4502624 GWKLAFJVLHRSSV-INIZCTEOSA-N 355.398 2.456 0 40 FEAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)cs2)s1 6680408 ZSWLXFHJLZQDSN-UHFFFAOYSA-N 374.513 2.445 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)no1 7231553 ONMMOLIUEOURBX-ZFWWWQNUSA-N 371.393 2.074 0 40 FEAB c1cc(N2CCC(c3ncc4n3CCCC4)CC2)nc(N2CCOCC2)n1 517482667 FOZLGQFOVXVAOY-UHFFFAOYSA-N 368.485 2.230 0 40 FEAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 52774066 CWEZFFPUYLEAEY-SUMWQHHRSA-N 350.484 2.011 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(F)cc1 9726438 ABZKKNXCVQCLQX-IBGZPJMESA-N 354.337 2.238 0 40 FEAB CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C(=O)NC 103068796 VEQYLSIGAPGHQD-OAHLLOKOSA-N 356.426 2.012 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 23681435 QORYQCOPDALNLB-UHFFFAOYSA-N 364.405 2.244 0 40 FEAB O=C1C(=O)N(CN2CCc3ccccc3C2)C(=O)N1CCc1cccs1 23732116 NGBGZMOHNPLJKW-UHFFFAOYSA-N 369.446 2.097 0 40 FEAB O=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1N1CCOCC1 23864686 GXRZYOJDCAXXSO-UHFFFAOYSA-N 366.377 2.325 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 24261144 RHKRKRCITQJDCP-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@H](C)c2ccccc2OC)c1 24534978 WJEDKEPRNUDCRD-GFCCVEGCSA-N 358.394 2.059 0 40 FEAB COc1ccc(C(=O)N2CCC(NCc3ccccn3)CC2)c(OC)c1 47609846 RAPFBAKVVLBHPL-UHFFFAOYSA-N 355.438 2.493 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)N[C@@H]1CCCc2ccccc21 35085848 IHZXAWKOYBXQON-GOSISDBHSA-N 367.449 2.231 0 40 FEAB CNC(=O)NC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 25664952 RQJHGDPCEYVJRH-SCLBCKFNSA-N 369.421 2.305 0 40 FEAB COc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C 57521241 IAAFWRGNOJJTDM-UHFFFAOYSA-N 358.423 2.309 0 40 FEAB Cc1ccc(OCCCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C 25933477 RUODONPMWOXYGV-SFHVURJKSA-N 359.514 2.357 0 40 FEAB O=C1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)CCN1 57024635 PWHBBXAHDUAXCU-UHFFFAOYSA-N 374.853 2.237 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 12565095 UBDREKUPTAWTRJ-STQMWFEESA-N 368.311 2.475 0 40 FEAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 26753961 CGVJVTOFMZYATM-CYBMUJFWSA-N 365.904 2.236 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1 58193645 SGHDCYNRYJTCON-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB CC(C)c1nnc(NC(=O)CSc2nnc(C(F)(F)F)n2C)o1 36392498 ISKSHULKBIBGLK-UHFFFAOYSA-N 350.326 2.071 0 40 FEAB O=C(NCc1ccncc1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36365948 IPNXWKMAMOXRDW-UHFFFAOYSA-N 360.373 2.363 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(Cl)s1 12621914 WARLGMCDNYVJQK-NXEZZACHSA-N 369.826 2.303 0 40 FEAB COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C(=O)O)CS3)cc2)o1 36612345 QCTNMYCHYJTWCU-HIFRSBDPSA-N 363.391 2.433 0 40 FEAB O=c1[nH]c2ccccc2n1CCCSc1nnnn1Cc1ccco1 11309471 MVFXPZNQXVAQOT-UHFFFAOYSA-N 356.411 2.140 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(O)nc2)CC1 12750552 AZIAQNRRHZQDHT-UHFFFAOYSA-N 368.389 2.294 0 40 FEAB COC(=O)c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 12755239 OHIMTWXZFODAHO-UHFFFAOYSA-N 366.417 2.459 0 40 FEAB Cc1cc(C)n(-c2ccc(CCNC(=O)CCNc3ncccn3)cc2)n1 48235126 SWPKYHBGZWCAAM-UHFFFAOYSA-N 364.453 2.440 0 40 FEAB COc1ccc([C@H]2CCCCCN2CC(=O)N2CCC(C(N)=O)CC2)cc1 12812363 QCPIDGVMTSPZEE-LJQANCHMSA-N 373.497 2.336 0 40 FEAB O=C1CCCN1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 3518340 VAEJOBLCCCZMRP-UHFFFAOYSA-N 353.407 2.057 0 40 FEAB COCCNc1nnc(SCc2cc(=O)n3c(C)csc3n2)s1 8156929 OPMBUUQJQIQXPY-UHFFFAOYSA-N 369.497 2.267 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2NC1=O 12982298 OQVGTBGFEWRQKV-QFYYESIMSA-N 352.346 2.126 0 40 FEAB CCNC(=O)NC(=O)[C@H](OC(=O)c1ccc(C)cc1O)c1ccccc1 5226961 RXLYXGWNOJYKEQ-MRXNPFEDSA-N 356.378 2.444 0 40 FEAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 8709645 PZLRASBPWAOHAR-UHFFFAOYSA-N 367.243 2.152 0 40 FEAB O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 18052077 LCGYSQMXGYLAID-UHFFFAOYSA-N 365.414 2.315 0 40 FEAB Cc1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)on1 6851909 ZZTCEHJNHHHGOE-UHFFFAOYSA-N 364.155 2.110 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCC(=O)NCc2ccco2)CC1 6955032 UMJIAXAYUYQFBJ-UHFFFAOYSA-N 371.437 2.033 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cncc(Br)c2)no1 8777590 JVKWSXAUMCDKJA-MRVPVSSYSA-N 354.160 2.325 0 40 FEAB CC(C)S(=O)(=O)CCS(=O)(=O)c1cccc(Br)c1 79020309 PDTUBXAUKOXAMZ-UHFFFAOYSA-N 355.275 2.046 0 40 FEAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1coc2ccccc2c1=O 96114007 XJXKIVJRAPQRRL-LBPRGKRZSA-N 356.330 2.455 0 40 FEAB biogenic CS(=O)(=O)N(CCCC(=O)NCc1ccccn1)c1ccccc1F 113966358 LAWANRJYWNYEMS-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccc(F)cc1 9547608 SIIIBGOJVAQTSU-UHFFFAOYSA-N 367.380 2.177 0 40 FEAB CCCCO[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)c2cnccn2)C1(C)C 72310265 HJIUDXMMNMLMNN-JKSUJKDBSA-N 362.474 2.039 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cccc2ccccc12 84598269 BLIHGTKTNSHVCK-RTBURBONSA-N 372.490 2.221 0 40 FEAB COC(=O)c1nn(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)c(C)c1Cl 95373495 GFFWYJJPQVZICC-UHFFFAOYSA-N 367.789 2.246 0 40 FEAB Cn1ccnc1[C@@](O)(CCNC(=O)c1cnccc1Cl)C(F)(F)F 95449124 LIJGGUHCTXHMFL-ZDUSSCGKSA-N 362.739 2.039 0 40 FEAB CC(C)N1CCC(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)CC1 95432355 PIBJZQSNCKLRNL-LJQANCHMSA-N 372.557 2.354 0 40 FEAB CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)O2 95464540 QDXGPVNIMLXARP-WFUSOUOQSA-N 366.502 2.068 0 40 FEAB CCC[C@H](C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 95452585 BGXCUNPRHKUASJ-NSHDSACASA-N 366.480 2.396 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1OCC 408700768 LOBHTQJNQSRGIZ-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(C)=O)ccc3n2C)c1OC 36370003 NNPWYOLKDKXGOC-UHFFFAOYSA-N 369.425 2.296 0 40 FEAB biogenic Cc1cc(N2CC[C@H](NC(=O)N(C3CC3)[C@H](C)c3ccco3)C2=O)n(C)n1 122876275 GQZQZFRKODEJJA-HIFRSBDPSA-N 371.441 2.362 0 40 FEAB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 35648781 VKXXWWBXFLZZEO-GKWYLQRDSA-N 351.449 2.457 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccs2)CC3)C[C@@H](C)O1 72335448 MSYXQYXYEJABPD-BETUJISGSA-N 360.483 2.416 0 40 FEAB Cn1nc(N2CCC[C@@H](C(=O)Nc3nc4ccccc4s3)C2)ccc1=O 77100942 SZYZIXZLDXJPFH-GFCCVEGCSA-N 369.450 2.245 0 40 FEAB CSCC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 75157529 UQFSVLUZUNFIAQ-DNVCBOLYSA-N 364.511 2.277 0 40 FEAB Cc1cc(CCNC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)on1 565469548 XWVVOKCNCHGUSP-LJQANCHMSA-N 355.394 2.345 0 40 FEAB CN1CCN([C@@H](c2ccccc2Cl)c2sc3ncnn3c2O)CC1 41636523 XUIYCYRMRUBXNY-ZDUSSCGKSA-N 363.874 2.487 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)s[nH]1 569074274 RMEPPAFNYSLJOG-NNYUYHANSA-N 360.464 2.414 0 40 FEAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223018588 KDLQKTUSRNTJBH-UHFFFAOYSA-N 372.443 2.018 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227024 HVOZTFXQJHITGU-RXVVDRJESA-N 367.424 2.318 0 40 FEAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NC[C@H]1CCCO1 96223099 WITOQQOQSNWKBU-CYBMUJFWSA-N 369.446 2.488 0 40 FEAB CC(C)NC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143023 BICZXUHQWIQBPF-SFHVURJKSA-N 363.483 2.120 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216467 XYGRHSGZEDFHEY-NQIIRXRSSA-N 358.482 2.416 0 40 FEAB Cc1cnc(N2CCC[C@@]3(COCCN(c4ccc(C)nn4)C3)C2)nc1 96229167 FDUKTGYPHHRWLP-IBGZPJMESA-N 354.458 2.007 0 40 FEAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 96058466 MXSHAYBCWDWOIG-OALUTQOASA-N 360.479 2.457 0 40 FEAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2c(C)nn(C)c2Cl)C1 583617643 VCPHUPISWYKMFT-YPMHNXCESA-N 350.854 2.339 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1 96041051 KAVQVIZSVGXKCO-WBAXXEDZSA-N 357.479 2.439 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247838376 OIEPWMYONQKJRB-HNNXBMFYSA-N 358.467 2.386 0 40 FEAB O=C(C[C@@H]1CN(c2ncccn2)Cc2ccnn21)NCCc1cccs1 247882538 WBVSZRBHHQANNG-OAHLLOKOSA-N 368.466 2.045 0 40 FEAB c1cnc(Nc2cc(C[C@@H]3CCCN(Cc4c[nH]cn4)C3)ncn2)cn1 257312531 UOKAJHDCEGUEGC-AWEZNQCLSA-N 350.430 2.188 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)on1 257211054 BXILVUPFBSATAH-MRXNPFEDSA-N 358.442 2.324 0 40 FEAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257208071 BKPPIHFVHPAUTD-GFCCVEGCSA-N 374.391 2.209 0 40 FEAB O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CCCC[C@@H]1n1cccn1 585140012 MUIOBKFTEQELND-SJORKVTESA-N 369.473 2.125 0 40 FEAB Cn1c(O)nc2cc(C(=O)N3CCCN(c4nccs4)CC3)ccc21 620313302 ALEGGNYEIROUBE-UHFFFAOYSA-N 357.439 2.088 0 40 FEAB Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1 283575967 KEISEJSDJKSNMZ-VCBZYWHSSA-N 351.406 2.407 0 40 FEAB COCc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)ncn1 666380775 HYWPDNQYAWCCKR-ZBFHGGJFSA-N 360.418 2.052 0 40 FEAB Cc1nc(C)c(F)c(N2CCN(S(C)(=O)=O)c3ccccc3C2)n1 677884301 AYNYDCALXKBKLM-UHFFFAOYSA-N 350.419 2.019 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1 684769156 KTTJNHOQULFORP-OAHLLOKOSA-N 350.426 2.014 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)ccc1O 55682038 SDUOMYAHAYNVMS-UHFFFAOYSA-N 373.333 2.266 0 40 FEAB C[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 58283095 QCTBDMHICNWLQF-RVPKQNPDSA-N 353.378 2.262 0 40 FEAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Cc2ccccc2)CC1 85472759 CBYBAYZTLAOWRQ-LJQANCHMSA-N 370.493 2.495 0 40 FEAB CC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(=O)NCc1cccs1 648555570 PRTUPKXOXSGCOG-RVSPLBMKSA-N 374.462 2.488 0 40 FEAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 19080616 ZPKRRXUDMWISCT-LLVKDONJSA-N 370.361 2.177 0 40 FEAB CCn1c(CN2CC[C@H](c3cc(C(=O)N(C)C)[nH]n3)C2)nc2ccccc21 19707682 LMSCXIVEKSEIOD-AWEZNQCLSA-N 366.469 2.471 0 40 FEAB COC1(CNS(=O)(=O)c2c(C)nn(C(C)C)c2C)CCSCC1 245015282 LUHBWSABTWXXPN-UHFFFAOYSA-N 361.533 2.271 0 40 FEAB COCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 17321593 RDWHQELMTXLBIT-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB Cn1cncc1C(=O)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888892696 DERBUJYXRJOLFV-HNNXBMFYSA-N 363.421 2.418 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 5242170 VNXUKTGZGVMSOY-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB Fc1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@@H]2C1 2086860450 URRVZEPNUOZPSB-QWRGUYRKSA-N 364.222 2.346 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC3CC3)C2)n(-c2ccccc2)n1 2332241508 BMGQJSUIXHKZRT-IAOVAPTHSA-N 355.442 2.034 0 40 FEAB CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 29334313 QBLWSYFIEAWUHG-UHFFFAOYSA-N 367.449 2.373 0 40 FEAB Cc1ccc(OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 29358819 UEQGEEXTAFIWJL-INIZCTEOSA-N 351.468 2.332 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29632570 HOCLTTVLRWNPDQ-HXUWFJFHSA-N 366.417 2.063 0 40 FEAB CC(=O)c1cccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(F)ccc23)c1 20745572 GKPUYDSLCSVYGA-UHFFFAOYSA-N 365.324 2.165 0 40 FEAB COc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)s3)nn2)cc1 20890903 RMZOIXBBQVQDCI-UHFFFAOYSA-N 370.316 2.399 0 40 FEAB Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 2625814 JVEBARANAPBBRL-UHFFFAOYSA-N 371.509 2.433 0 40 FEAB CCN(CC)CCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984119 KMPLTFUWDYNFCT-PEZBUJJGSA-N 358.442 2.227 0 40 FEAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1 6843297 XKPAJZJKNMDUTF-UHFFFAOYSA-N 360.479 2.276 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1cccs1 32741203 UJPOJWUAPYXGOX-AWEZNQCLSA-N 372.446 2.440 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)NC[C@H]1CCCc2ccccc21 46754822 NHNZDRCRTYUJLP-CQSZACIVSA-N 370.478 2.452 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSCC(=O)N1CCCCC1 9549348 PHFVXDDNAROFAZ-UHFFFAOYSA-N 350.440 2.157 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 9926985 SXZWHZZLUUPBFN-GFCCVEGCSA-N 371.220 2.422 0 40 FEAB C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)c2ccccc2C1=O 104992775 QIHOVLKNXKNISR-ASMYIELASA-N 365.414 2.352 0 40 FEAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1 42723389 LWNHWDHQQSMLPU-FQEVSTJZSA-N 369.509 2.022 0 40 FEAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2)CC1 23822747 SEAUASYEMJYODK-INIZCTEOSA-N 369.469 2.249 0 40 FEAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCNc2cnccn2)C1 54719916 RSEUNDKQSXCMOW-RDJZCZTQSA-N 354.458 2.023 0 40 FEAB Cc1ccc(C(=O)C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cc1 24666512 RRNQHTATVHLVEP-KRWDZBQOSA-N 368.458 2.396 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 24817850 FHQYCUDZMWTEMA-HNNXBMFYSA-N 358.463 2.346 0 40 FEAB CC(C)CN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408712 WEWULUZUQXWQQQ-ZWKOTPCHSA-N 364.511 2.280 0 40 FEAB O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCNCC1 34781229 YEOHRRUXVXSYRN-UHFFFAOYSA-N 374.087 2.350 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2C)cc1C(N)=O 1428348 VPBKQQTZGOPTMA-UHFFFAOYSA-N 352.387 2.433 0 40 FEAB COc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12691561 AICPTTQVIFKSAW-UHFFFAOYSA-N 360.435 2.317 0 40 FEAB Cc1nc(S)sc1CC(=O)NCC(=O)N1CCCc2ccccc21 57270973 AZPHZQCFAHUJEF-UHFFFAOYSA-N 361.492 2.378 0 40 FEAB CS(=O)(=O)c1n[nH]c(NC(=O)CC(c2ccccc2)c2ccccc2)n1 58180282 MUHWNDYCOIRLKS-UHFFFAOYSA-N 370.434 2.369 0 40 FEAB COc1ccc(C[C@H]2CCCN2CC(=O)Nc2ccccc2C(N)=O)cc1 58167833 HEIBFLSRIYLURG-MRXNPFEDSA-N 367.449 2.440 0 40 FEAB O=C(Nc1ccccc1O)[C@H]1CCCN1S(=O)(=O)c1cccs1 58192086 FRGFHQLEXPBDIM-GFCCVEGCSA-N 352.437 2.246 0 40 FEAB CC[C@](C)(NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)OC 58210080 BBHLZIPRWVRCNX-UZLBHIALSA-N 360.454 2.305 0 40 FEAB COc1ccc(CCN2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1 58225107 TYLOPTQSHOCATA-UHFFFAOYSA-N 366.469 2.045 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccccn2)C(C)C)cc1 36147958 LVZQXRIWATYFTJ-KRWDZBQOSA-N 362.451 2.436 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10370981 MHYQCFRMDDKNKD-UKRRQHHQSA-N 353.488 2.315 0 40 FEAB O=C(NCc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 45095772 OSGJKOXNSYJDIV-UHFFFAOYSA-N 366.389 2.289 0 40 FEAB CC(C)N1C(=O)c2ccc(C(=O)NCc3cccs3)cc2S1(=O)=O 48384079 UJCKETVVWSPRHX-UHFFFAOYSA-N 364.448 2.231 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)NCCc1nccn1Cc1ccccc1 48324625 BHANPKLRJLWEEM-INIZCTEOSA-N 368.481 2.285 0 40 FEAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N 2422327 CRFKXNXWBUCMST-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB C[C@@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 12975901 BHHYODMOLHNQFL-RBZFPXEDSA-N 355.438 2.242 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)(F)F)cc1 3611208 ZRVAJQMMZUJLPH-UHFFFAOYSA-N 371.315 2.388 0 40 FEAB CCNC(=O)COc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC 48877207 KZHUAOUNVBLYRV-UHFFFAOYSA-N 369.377 2.452 0 40 FEAB CCOC(=O)[C@H](C)N1CC(=O)N(c2ccc(Br)cc2)C1=O 13839427 CXBJINCYGHFHPQ-VIFPVBQESA-N 355.188 2.169 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 5387867 VZHQSMUHQPKRJK-UHFFFAOYSA-N 352.350 2.100 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1C 14135850 SHFDBIWDKDBERO-TXEJJXNPSA-N 365.474 2.036 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 9225898 GJSGFDZGCXIPQM-OAHLLOKOSA-N 368.499 2.177 0 40 FEAB COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OCC(N)=O 14248237 LNMAFUAUAPEQHC-UHFFFAOYSA-N 362.426 2.188 0 40 FEAB CN1C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@H]32)C(=O)N(C)C1=S 6671852 MOQUAWRPCVLXLE-ZDUSSCGKSA-N 363.870 2.067 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCC(=O)OCc1ccccc1 14851606 DWHHRRNZDBLQKO-UHFFFAOYSA-N 366.417 2.216 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 4813852 OXPTUWFSOGCXLL-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CCOCCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 408546501 DXBNCTMMFQXJRK-HNNXBMFYSA-N 356.488 2.001 0 40 FEAB CC(C)CNC(=O)c1nsc(C(=O)NCc2ccc(F)cc2)c1N 67334952 WZBDJERCBPGCFX-UHFFFAOYSA-N 350.419 2.180 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 7252650 FVGQNLNOMUKFQP-INIZCTEOSA-N 359.813 2.292 0 40 FEAB C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 7987061 DVXICUGLQZXXHD-MRXNPFEDSA-N 362.433 2.408 0 40 FEAB C[C@H](NC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1)c1ccccc1 9059667 FRWMQUFGRLLKJH-ZDUSSCGKSA-N 350.426 2.447 0 40 FEAB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1C(C)C 8035370 WDPIZBZXYQHQIC-UHFFFAOYSA-N 363.483 2.306 0 40 FEAB COC(=O)c1cccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 16654538 JQVPLDXKGJPHOG-UHFFFAOYSA-N 356.378 2.299 0 40 FEAB CN1CCN(CC(=O)Nc2scc3c2c(=O)oc2ccccc23)CC1 19897407 PJOHFJIPTLMODC-UHFFFAOYSA-N 357.435 2.194 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1 9810627 FIBLLYFZNKDFQK-UHFFFAOYSA-N 358.467 2.248 0 40 FEAB Cc1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc1 9858537 DNBJPOBBBNUNQG-UHFFFAOYSA-N 351.410 2.325 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C(C)(C)O)c1 89904596 NISWIWGUZDURQW-SUMWQHHRSA-N 350.459 2.116 0 40 FEAB O=C([C@H]1CCn2cncc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 84367714 XNDFVUJMYPSXFX-INIZCTEOSA-N 358.873 2.443 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(Cn2ccnc2)c1 25179540 UVWVXNHJJSPVLN-UHFFFAOYSA-N 359.393 2.224 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)n1C 22228282 OAYZIEDVJOHIBB-UHFFFAOYSA-N 371.466 2.403 0 40 FEAB O=C1C[C@]2(CCN(C(=O)NCc3noc(C4CC4)n3)C2)Oc2ccccc21 518489603 XPPKIQDYDUVAFQ-IBGZPJMESA-N 368.393 2.267 0 40 FEAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217603063 OYHLXYBFJRDRGH-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB O=C(NCCn1ccc2ccc(F)cc21)[C@@H](c1ccccc1)n1cnnn1 85432545 QIHBUBMBTSBDLX-GOSISDBHSA-N 364.384 2.173 0 40 FEAB COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224146854 RCZXEULPLUTPRY-UHFFFAOYSA-N 372.429 2.032 0 40 FEAB CCOCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H]2C 96109703 FVNXTBWJTCKDFZ-ZDUSSCGKSA-N 357.410 2.294 0 40 FEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc3nccnc3c2)o1 95479846 HPLAFBANRPJIFC-CYBMUJFWSA-N 370.361 2.130 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(C)c3C2)c1 96253834 KXFIHWGGYKJDAP-UHFFFAOYSA-N 372.494 2.441 0 40 FEAB COc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nn1 95480607 DCVSNPKXCKRHGL-UHFFFAOYSA-N 370.409 2.112 0 40 FEAB CO[C@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109461 JGHKYPXEPZHSLL-ZCNNSNEGSA-N 356.470 2.408 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1Cc2cncn2[C@H](COc2ncccn2)C1 247873596 MRGWFKLDFBQSRW-AWEZNQCLSA-N 371.347 2.227 0 40 FEAB CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccncc3)C2)OC1 248046425 MKASUFLRYWEYPB-MRXNPFEDSA-N 355.438 2.428 0 40 FEAB COCCN1C[C@H](COCC2CC2)C2(CCN(C3CCOCC3)CC2)C1 247818510 CGXPMETVSNJXOI-LJQANCHMSA-N 366.546 2.252 0 40 FEAB O=C(NCc1cccnc1)[C@H]1CN(Cc2cccc(F)c2)Cc2cncn21 247525389 ZDGZFWNHBKICND-LJQANCHMSA-N 365.412 2.291 0 40 FEAB CN(C)c1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)cn2nccc12 257228705 FUXDYCNDZLJDMN-HNNXBMFYSA-N 350.426 2.210 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257343999 ZVJNEKBULNARHK-KRWDZBQOSA-N 351.410 2.238 0 40 FEAB CNC(=O)CN1CCC[C@@H](c2nccnc2Nc2nc(C)c(C)s2)C1 257217276 CYHWPIFTYJWFDT-CYBMUJFWSA-N 360.487 2.219 0 40 FEAB C[C@]1(c2ncc(CNC(=O)c3ccc4[nH]nnc4c3)cn2)CCCCO1 257279418 OGMRIOMGINSSFH-GOSISDBHSA-N 352.398 2.094 0 40 FEAB C[C@H]1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591469 NSQRJEPTZZZMLB-AWEZNQCLSA-N 368.437 2.425 0 40 FEAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260840567 WILXQKKHEHUQRE-KXBFYZLASA-N 372.446 2.238 0 40 FEAB O=C(NC[C@H](C(=O)O)c1ccccc1)c1nc(N2CCCC2)ncc1Cl 676026289 YNXCFHSEJIOSDD-ZDUSSCGKSA-N 374.828 2.328 0 40 FEAB Cc1ccc(C)c(OCCC(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)c1 1775959852 CDFKKTXFZOBGEJ-NVXWUHKLSA-N 358.442 2.222 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@@H]12 585109557 WTBKQBRSPODLNS-KFWWJZLASA-N 362.476 2.356 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)[nH]2)CC1 685941768 IHMPDYXXZQEAEQ-DLBZAZTESA-N 358.486 2.393 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)COCc1cccs1)C2=O 46835846 OGINARDUGNUTBB-XAYKYTGQSA-N 351.468 2.437 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 58195601 ATXRFPXAWKVCJF-INIZCTEOSA-N 366.389 2.044 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 170293565 LTGHBLFLFPHCJV-ZDUSSCGKSA-N 358.350 2.042 0 40 FEAB CCN(CC(=O)N1CCCCCC1)c1ccc2nnc(C(F)F)n2n1 561449051 AXZQOBASGSMAFT-UHFFFAOYSA-N 352.389 2.291 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615154659 GZJWFFZYIUZCSD-FQEVSTJZSA-N 369.396 2.177 0 40 FEAB CCc1cc(N2CCC3(CC2)NC(=O)[C@H](CC)O3)nc(-c2ccncc2)n1 1615588403 GJIYBRYFISXWQE-INIZCTEOSA-N 367.453 2.323 0 40 FEAB COc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(C)c1cc(C)nn12 1772596420 GIQDNDIMKSOLSN-UHFFFAOYSA-N 368.437 2.198 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccccc2)cc1OC 12599568 AAGJAKSHRMYXKC-UHFFFAOYSA-N 358.442 2.258 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1 13580966 OCBMHGCMYMOHOX-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB O=c1c(Cl)c(N2CCOCC2)cnn1-c1ccc(C(F)(F)F)cn1 15111683 DDUIBNQGCPZCQV-UHFFFAOYSA-N 360.723 2.136 0 40 FEAB Cc1ncsc1C(=O)NCc1ccc(-c2ccnc3ncnn23)cc1 19562344 HNIFRPQADUMSCK-UHFFFAOYSA-N 350.407 2.486 0 40 FEAB CCCCC(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2 5255417 WJBVKEHEYFOAPI-UHFFFAOYSA-N 353.444 2.361 0 40 FEAB O=C(c1ccco1)N1CCC(NS(=O)(=O)c2cccc(F)c2)CC1 12778356 VYXRNVQDUPELKS-UHFFFAOYSA-N 352.387 2.002 0 40 FEAB O=C(NCC1(OCCO)CCSCC1)C1(c2ccc(F)cc2)CC1 888107022 OLYZRUHZWOBIGQ-UHFFFAOYSA-N 353.459 2.248 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)CC2 37462298 YNMSGDLPZUOZSF-KBPBESRZSA-N 368.499 2.285 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ccnc(C)c2)CC1 1775995317 NQXRWWQFWSKONV-UHFFFAOYSA-N 371.437 2.029 0 40 FEAB COc1cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2=O)ccn1 1776008027 TYOZHUPTJVXSOM-UHFFFAOYSA-N 352.316 2.357 0 40 FEAB CNC(=O)c1sc2nccnc2c1C1CCN(Cc2cnccn2)CC1 2037666365 GDCSRXAIRCKTJD-UHFFFAOYSA-N 368.466 2.221 0 40 FEAB CC1CC(C(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)C1 1614933528 JKKFCYMTTRSMJL-MHVYXZCWSA-N 356.426 2.204 0 40 FEAB CC(=O)c1cc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)n[nH]1 1565550153 RNAHMMCFWAPKMN-UHFFFAOYSA-N 367.384 2.383 0 40 FEAB Cc1ccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 8848983 FODCUBCXDUHBRQ-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB COc1ccccc1NC(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9616368 AONOQWPBJRPAOR-UHFFFAOYSA-N 360.324 2.271 0 40 FEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1COc2ccccc2O1 9701556 RZORPYXSSSQDMO-HNNXBMFYSA-N 367.317 2.244 0 40 FEAB C[C@@H]1CN(C(=O)N2CCCC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055729721 BYXMAGBBFGMJCU-SYNHAJSKSA-N 372.469 2.496 0 40 FEAB CO[C@H]1CCN(c2ccc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)cc2)C1 585149169 MIHILWUAXHDEES-SFHVURJKSA-N 367.453 2.078 0 40 FEAB C[C@@H]1CN(C(=O)Cn2c(C3CCNCC3)cc3cccnc32)C[C@@H](C)O1 12133709 QGOAPBZSGQKPIK-HUUCEWRRSA-N 356.470 2.139 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 40030769 DFYJPVDLWPFXFJ-UHFFFAOYSA-N 351.878 2.403 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1N1CCCC1=O 30521932 WITASJJVYKWBGG-KBPBESRZSA-N 358.394 2.428 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccco2)C1=O 36820900 DPOOKMRZJDPCRG-IBGZPJMESA-N 373.384 2.234 0 40 FEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)cc(O)c1 939724 GIBUVYGIKCADMO-QGZVFWFLSA-N 354.362 2.093 0 40 FEAB O=C1c2ccccc2C(=O)N1CCN1CCO[C@H](c2ccc(F)cc2)C1 29537637 HWHAFLISNBWSHL-SFHVURJKSA-N 354.381 2.495 0 40 FEAB COc1ccccc1CCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 32124255 AQLZZOPSGVAPEA-INIZCTEOSA-N 367.405 2.144 0 40 FEAB biogenic CC(=O)N[C@@H](CC(=O)OCC(=O)NCCc1ccccc1)c1ccccc1 4220307 VQNAMQZQJHYXAR-IBGZPJMESA-N 368.433 2.156 0 40 FEAB CN(C)[C@@H](CNc1c(NCc2ccccn2)c(=O)c1=O)c1ccccc1 101690506 BUDBONFBWSOIOT-INIZCTEOSA-N 350.422 2.005 0 40 FEAB Nc1c(C(=O)N2CCOCC2)sc2nc3cc4c(cc3cc12)OCCO4 4848843 WIHDOTCBDWEXHG-UHFFFAOYSA-N 371.418 2.275 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986734 MPKHZKXUMNPYQN-ZBFHGGJFSA-N 359.451 2.074 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c1 32771970 FDVLFNNKSQQHTQ-LJQANCHMSA-N 365.393 2.248 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 7248395 SFPHZIHCWGFTJP-HNNXBMFYSA-N 359.513 2.137 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)CCn2ccc3ccccc32)cc1 8077493 PUJNMJUUIYBGAV-UHFFFAOYSA-N 371.462 2.038 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)COc2ccccc2)c1 8625266 BGTYBMAYDDUFOC-OAHLLOKOSA-N 370.405 2.060 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(=O)n(Cc2ccccc2)n1 32819121 SPQXGCVASPVBHP-UHFFFAOYSA-N 373.416 2.140 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1C 46622589 KBDKUNNAUXVZQD-UHFFFAOYSA-N 363.439 2.136 0 40 FEAB CCOC(=O)c1cc2cc(C(=O)N3CCCC[C@@H]3C(=O)NC)ccc2[nH]1 33213445 DQGYBJKVDKCHHL-MRXNPFEDSA-N 357.410 2.085 0 40 FEAB O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1 56896475 HFORTXOVALAYOR-UHFFFAOYSA-N 368.481 2.364 0 40 FEAB CCOc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 22507783 STEWDTJEASMHFO-OAHLLOKOSA-N 353.422 2.192 0 40 FEAB CC(C)(CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)N1CCOCC1 22618258 SVNWVVPWJFBYTO-GOSISDBHSA-N 362.470 2.085 0 40 FEAB Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)C2CCCCC2)c(C)c1 7989553 UIWXANNSAGKPLS-UHFFFAOYSA-N 359.470 2.363 0 40 FEAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccs1 23977107 LTVBZWCWTCBRQP-GFCCVEGCSA-N 358.510 2.161 0 40 FEAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1cc(C)on1)C(F)(F)F 3103605 VJWPKUQZQQPWAQ-CYBMUJFWSA-N 361.276 2.240 0 40 FEAB CCCCn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1=O 24764472 JUTUSTZCCVMRDJ-UHFFFAOYSA-N 354.410 2.188 0 40 FEAB CCNC(=O)Cc1ccc(NCc2cc(=O)n3nc(CC)sc3n2)cc1 25730699 XBOIDAPWKKQNKH-UHFFFAOYSA-N 371.466 2.004 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 12544535 MCVHPQWHQOGIPS-UHFFFAOYSA-N 358.370 2.057 0 40 FEAB Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(C)c(=O)c2[nH]1 57521189 ILRCJNFIJGZCNO-UHFFFAOYSA-N 371.466 2.367 0 40 FEAB Cc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccccc1F 25334204 RXBHHBMDQWGGJY-UHFFFAOYSA-N 352.369 2.349 0 40 FEAB COCCS(=O)(=O)c1ccc(C(=O)OCc2cccc(OC)c2)cc1 58186276 NRYNGIVULPTSAK-UHFFFAOYSA-N 364.419 2.472 0 40 FEAB CCOC(=O)CCCC[C@H](C(=O)OC)C(=O)[C@H](C)NC(=O)OC(C)(C)C 22052616 QJOWBWKFPGEJSO-STQMWFEESA-N 373.446 2.381 0 40 FEAB in-vitro O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1ccccc1F 44891021 GMQXHCVDZAQIIE-UHFFFAOYSA-N 374.412 2.460 0 40 FEAB O=S1(=O)N=C(NCc2ccc(Cn3cccn3)cc2)c2ccccc21 10207474 CFUSXCLZDSZSBH-UHFFFAOYSA-N 352.419 2.170 0 40 FEAB Cc1ccc(N2CCN(CCCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 2183395 HRJHDAXXWFXELB-IBGZPJMESA-N 370.497 2.324 0 40 FEAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cc(F)cc(F)c1 28041043 IGKMMKBJIKVRTC-UHFFFAOYSA-N 353.394 2.439 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O 12647857 FIDSZFVUODPMRQ-ZDUSSCGKSA-N 353.426 2.013 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 11215667 WKTHWUQNZJTRAN-MLGOLLRUSA-N 353.440 2.432 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 3592801 FNLXQAZMOSZAAC-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)/N=c1\[nH]cn[nH]1 12974045 RPDMGNGGLIBNIA-LBPRGKRZSA-N 370.240 2.317 0 40 FEAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccccn3)nc(N)c12 8391314 KZHUDSWEZZEIGQ-UHFFFAOYSA-N 356.338 2.042 0 40 FEAB Cc1ccc(CN2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1 17076283 OVYTWRLHCVXTEW-UHFFFAOYSA-N 372.450 2.038 0 40 FEAB CC(=O)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 13637541 PKUVOXCLMASODX-UHFFFAOYSA-N 368.462 2.316 0 40 FEAB O=c1[nH]c(Cn2nnc(-c3ccc(F)cc3)n2)nc2cc(Cl)ccc12 5165065 NELTWLNQIQWJEL-UHFFFAOYSA-N 356.748 2.417 0 40 FEAB Cc1cc(OCC(=O)OCn2nnc3ccccc3c2=O)ccc1Cl 6202799 XJBVOSJAWSGTLR-UHFFFAOYSA-N 359.769 2.333 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(-c3ccccc3)on1)CS2 65498759 UQZMQJMNNWBOSK-RDTXWAMCSA-N 357.435 2.412 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1C)n(C)c(=O)n2C 4520659 JCBQPFMLQCIGDS-UHFFFAOYSA-N 363.414 2.434 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(Cl)c1 28208080 NUBBAESLCJMCIJ-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(C/C=C/c2ccccc2)CC1 70666711 JRPZVRGSDOMQQQ-VMPITWQZSA-N 374.448 2.134 0 40 FEAB O=C(C[C@H](C(=O)OC1CCCCC1)N1CCNCC1)OC1CCCCC1 22595229 KLYJXSAMKRPVGC-GOSISDBHSA-N 366.502 2.402 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393988 ZXRWTLGMEQKLCI-OAHLLOKOSA-N 368.499 2.463 0 40 FEAB Cc1ccc(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 6810394 FSUITYARJIXOCF-OAHLLOKOSA-N 363.435 2.183 0 40 FEAB COc1ccc(-c2noc(COc3ccc(C(N)=O)cc3)n2)cc1OC 8735907 QUNGGGWZOZBWSM-UHFFFAOYSA-N 355.350 2.432 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)CCCOc1ccccc1 5937651 HZFIHVHKYQYUAH-UHFFFAOYSA-N 362.407 2.188 0 40 FEAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)n1 7530266 LASOJJUOXTXYJU-UHFFFAOYSA-N 371.470 2.142 0 40 FEAB CSCc1nnc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 9722037 DIXFMWOJHXGFGI-VIFPVBQESA-N 364.452 2.399 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2C)c1C 76041166 RVEQGKCJTGRGII-UHFFFAOYSA-N 355.391 2.466 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[C@@H](C)[S@](C)=O 84622381 ZUKLZDOVZFGRCN-PYCCUYLESA-N 368.499 2.211 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCc2cnc(N)s2)c1 95995829 RWTORHMZIUQEBE-LLVKDONJSA-N 361.423 2.431 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2c(F)cccc2CO)cc1 95973372 ZIHOANVZCYBBHC-UHFFFAOYSA-N 364.398 2.246 0 40 FEAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCOCCNC(=O)C(F)(F)F)C1(C)C 95997390 NLSCHFVWRSVWHT-NEPJUHHUSA-N 351.365 2.463 0 40 FEAB O=C(NCc1ccccc1Cn1cccn1)N[C@H]1c2ccccc2C[C@H]1O 79022781 MPIKTWAQNNPCSG-UXHICEINSA-N 362.433 2.389 0 40 FEAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217504354 HWKJBKZBRJXOSJ-UHFFFAOYSA-N 350.396 2.244 0 40 FEAB Cn1ncc2c(N)nc(N[C@H]3CCN(Cc4ccccc4)CC3(C)C)nc21 328807130 NOMOOVUBLIEONZ-INIZCTEOSA-N 365.485 2.658 0 40 FEAB COc1ccc(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)cc1 225881944 KQHMBPJMJIFCLB-UHFFFAOYSA-N 355.441 2.108 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2C)s1 223635340 MFGXBDGDBIQDSC-UHFFFAOYSA-N 353.425 2.129 0 40 FEAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1 96081221 DBUZJFFYBGKYMN-KGLIPLIRSA-N 356.344 2.167 0 40 FEAB CCOc1ncc(C)cc1NC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 333601795 CTEPKSLTZYKBRP-QGZVFWFLSA-N 367.471 2.221 0 40 FEAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)o1 96039763 VFEKKIMUKKVBCV-PKOBYXMFSA-N 350.459 2.064 0 40 FEAB CC(C)c1nnc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)s1 95477149 KONRMUSWWYVITI-UHFFFAOYSA-N 352.811 2.032 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227537 OCTFQMFMTBILLS-GHTZIAJQSA-N 367.424 2.318 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)[C@]1(C)CC(=O)N2C=CC=CC2=N1 141549750 GRGBYRSZFNIWAC-IBGZPJMESA-N 357.385 2.136 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(Cc1ccccn1)C2 96044980 FHUHHZVNFXQBOZ-KRWDZBQOSA-N 356.470 2.358 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 95937431 LAKSYYYKWMUEBI-UHFFFAOYSA-N 352.456 2.236 0 40 FEAB COC1CN(c2ccc(NC(=O)CNC(=O)OCc3ccccc3)cc2)C1 253400886 MCFZVGCSCXTZKY-UHFFFAOYSA-N 369.421 2.387 0 40 FEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 536909847 NQRNACQCVJIPHF-ZDUSSCGKSA-N 363.439 2.164 0 40 FEAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 257307338 SYGGJBOMBYXXGT-SFHVURJKSA-N 352.438 2.409 0 40 FEAB CNc1nccnc1[C@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCO1 257324508 WOZRHWHLXTXHTR-OAHLLOKOSA-N 356.401 2.289 0 40 FEAB Cc1nc2cc(CCC(=O)N3CC[C@H](O)[C@@H](n4ccnc4)CC3)ccc2[nH]1 257227510 FPQJJZHMUORYNT-OALUTQOASA-N 367.453 2.225 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252515655 MKBAIRRQJRJAHB-ZHALLVOQSA-N 359.447 2.135 0 40 FEAB CN(C)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257273841 NILYDQFCPUICQN-WCVJEAGWSA-N 354.422 2.161 0 40 FEAB CN(C(=O)c1ccc(Cc2ccccc2F)nc1)[C@@H]1CCS(=O)(=O)C1 257319004 VQGZNDGUGWWDQY-MRXNPFEDSA-N 362.426 2.071 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3sncc3c2)C1 260740239 MKZGKJQUBUGHJV-NSHDSACASA-N 353.469 2.297 0 40 FEAB O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CC[C@](F)(CO)C1 637588406 FQESNXWLSSFOKZ-IJEWVQPXSA-N 360.788 2.425 0 40 FEAB Cc1nnc(CN(C)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)s1 661126161 LTZZSDCSSKEVQN-DOMZBBRYSA-N 373.482 2.178 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(-n4ccc(O)n4)cc3)C2)no1 1219675803 NDULISNHMZQKDT-GFCCVEGCSA-N 354.370 2.291 0 40 FEAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)s1 390827861 LGQKMGFQMJCRPL-UHFFFAOYSA-N 365.436 2.334 0 40 FEAB CCC1(N2CCOCC2)CCN(C(=O)NCc2cnn3ccccc23)CC1 585123231 HZUSMXRECPHPIH-UHFFFAOYSA-N 371.485 2.121 0 40 FEAB O=C(N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1)c1cccc(F)c1 685942322 MXQNPQKXQQZFIB-BJJXKVORSA-N 358.373 2.129 0 40 FEAB CCCn1nc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)ccc1=O 39981894 NKPWNFZXVQZBEW-UHFFFAOYSA-N 365.437 2.386 0 40 FEAB O=C1NC(=S)N/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 3273978 QXVRTLXUYOKUKO-ZROIWOOFSA-N 354.387 2.309 0 40 FEAB O=C(c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCCC1 11998573 NSTXVQLTEVVOHN-OAHLLOKOSA-N 359.451 2.146 0 40 FEAB COc1ccccc1C(=O)N[C@H](C)Cn1nc2c(cc1=O)CCCCC2 12084915 DWWYIEABBPYLRO-CQSZACIVSA-N 355.438 2.339 0 40 FEAB CCn1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1C 12121773 UYEKJHNXOXCSPS-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB O=C(c1ccncc1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406864 MMFXWMYDAONODJ-LBPRGKRZSA-N 358.352 2.477 0 40 FEAB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cn1 12557313 XUVLFQOHIFZAPP-UHFFFAOYSA-N 357.385 2.035 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12767662 WWAOIUCDPDGIOM-UHFFFAOYSA-N 357.435 2.109 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)on1 13597075 DELABLDSTRSJFE-LBPRGKRZSA-N 367.402 2.162 0 40 FEAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)CC1 19016829 WSHBZCIWZHLOTL-UHFFFAOYSA-N 356.470 2.277 0 40 FEAB Cc1ccc(-c2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)no2)cn1 19215066 OHXJHPGIENHXIJ-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB O=C(c1n[nH]c2c1CCCC2)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19292254 RSHSURJBEFSGAG-KRWDZBQOSA-N 366.469 2.092 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 19581938 OEIBYKTXNDDOBI-LBPRGKRZSA-N 358.408 2.333 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3C(=O)CC3CCCCC3)n2CC1 19706383 NPOXPVLKGDGQTE-QGZVFWFLSA-N 373.501 2.317 0 40 FEAB CCc1nccn1[C@@H](C)C(=O)N1CCC(c2cc(CN(C)C)[nH]n2)CC1 19708938 HHHDZPJVXSKWIE-AWEZNQCLSA-N 358.490 2.197 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)NC2CCOCC2)C3)nc1 1888853492 NGQBGRXJHVJAQD-KXBFYZLASA-N 360.458 2.155 0 40 FEAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)C1(c2ccc(F)cc2)CC1 1888856729 IESDBOMBTVBNEF-UHFFFAOYSA-N 369.318 2.249 0 40 FEAB Cc1cc2c(N3CCN(c4nc(C5CC5)nc(C)c4F)CC3)nccn2n1 1888897930 YARGIVHVCIZEAK-UHFFFAOYSA-N 367.432 2.479 0 40 FEAB O=C1COC[C@@]2(CN(CCc3ccccc3)CCO2)CN1c1ccccc1 2037981046 RVZRRNGZXNHHIY-JOCHJYFZSA-N 366.461 2.364 0 40 FEAB CN(C1CCN(c2ccc(C(F)(F)F)nc2)CC1)S(=O)(=O)C1CC1 2086964120 PXKMEJBEBOAQNE-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 1565551441 NJJKQJUCHXSTIX-UHFFFAOYSA-N 359.445 2.404 0 40 FEAB CCOC(=O)c1cnc(NC(=O)c2ccc(Br)cc2)nc1O 1275354 VBPBKFHJOZLPJH-UHFFFAOYSA-N 366.171 2.374 0 40 FEAB CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)S[C@@H](C)C2 4107908 OCNKLHHKLCWDJI-QMMMGPOBSA-N 368.509 2.487 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](S(=O)(=O)c1ccc(F)cc1)C(=O)N2 4315596 WEWJRENGVXIYOJ-ZVZYQTTQSA-N 361.394 2.380 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccnc3)cn2)cc1 13809198 YZLQPXFBGCFTSU-UHFFFAOYSA-N 350.378 2.343 0 40 FEAB COCCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1 2055745581 LPURCVDKPLPKBE-UHFFFAOYSA-N 365.449 2.160 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3COC[C@]3(CC(=O)NCc3ccco3)C2)c1 2055759410 WDKACKPZSRBFAZ-KUHUBIRLSA-N 374.462 2.445 0 40 FEAB CC[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@@H]2CC)cc(C(=O)N2C[C@@H]2CC)c1 95850908 WTGFSHHTVSYGMF-XYQHAOTMSA-N 369.465 2.390 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 40082101 RIKSENJWSOQKEY-RTBURBONSA-N 357.498 2.448 0 40 FEAB CC(C)CCNC(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 40120328 LFHGSKRZUTYRSP-IBGZPJMESA-N 357.498 2.198 0 40 FEAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-n2ccnc2)cc1 7983502 CGJVZANXNCADKI-OAHLLOKOSA-N 373.416 2.460 0 40 FEAB Cc1csc(NC(=O)CCCNC(=O)[C@@H]2COc3ccccc3O2)n1 20733534 RXPFTUUJYSEUIV-AWEZNQCLSA-N 361.423 2.126 0 40 FEAB O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)N1CCCCCC1 32443474 BTVXXLYNWKXAMV-UHFFFAOYSA-N 367.393 2.233 0 40 FEAB CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885420 ZGZCDLPPASRPHK-ZKNHNOBHSA-N 368.389 2.052 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1OC)CC(=O)N2 4944433 KTBHVXMSJGTWGC-NSHDSACASA-N 361.423 2.373 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccccc1 2664465 WUWRGPFXJHIFGW-QKKBWIMNSA-N 363.417 2.257 0 40 FEAB NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 103043144 GKYLJKKWOXQVDK-UHFFFAOYSA-N 350.378 2.025 0 40 FEAB C[C@H](C(=O)NN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2774900 GYDWVKXWJKPVQD-MRVPVSSYSA-N 366.771 2.357 0 40 FEAB Cc1cc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)no1 22837825 XGXMTKOKBQLUBS-UHFFFAOYSA-N 371.466 2.349 0 40 FEAB CCCCNC(=O)CN1CCN(Cc2ccc(Br)cc2)CC1 23288266 QYYVFYFGWQZDRW-UHFFFAOYSA-N 368.319 2.483 0 40 FEAB CN(C)Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102802862 NLRVXJZZJFAIDL-IYBDPMFKSA-N 357.454 2.252 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 106154280 ISGUBSAUKHRAKY-ZOBUZTSGSA-N 371.481 2.458 0 40 FEAB Cc1cc(CN2CCN(C(=O)Nc3cccnc3N3CCCC3)CC2)on1 48172436 XMEWTEWHMPAAKT-UHFFFAOYSA-N 370.457 2.328 0 40 FEAB COc1cc(OC)c(NS(=O)(=O)c2ccccc2OC)c(C(=O)O)c1 58245014 DXHDOSKCOORGKT-UHFFFAOYSA-N 367.379 2.211 0 40 FEAB O=C(CNC(=O)C1CCCC1)NC[C@H](O)COc1cccc2ccccc12 58282343 WKAPGBPDZCKKTQ-KRWDZBQOSA-N 370.449 2.002 0 40 FEAB CCOC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 58341118 DNARQBXOVLQOCS-ZDUSSCGKSA-N 362.455 2.148 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2nccnc2N)N2CCCCC2)cc1 12766628 OVPKUCNYSRIBOK-MRXNPFEDSA-N 355.442 2.024 0 40 FEAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)c2ccccc2C1=O 4275709 LAGLQKJPYYVHQI-UHFFFAOYSA-N 358.375 2.160 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c1 14167488 XXVUKPICBACVPF-UHFFFAOYSA-N 350.465 2.203 0 40 FEAB CC(=O)NCc1ccc(C(=O)CSc2nnnn2-c2ccccc2C)o1 6946304 IECDRKSUQPQOKN-UHFFFAOYSA-N 371.422 2.175 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 7230611 VSERQVPMOCUPJD-UHFFFAOYSA-N 374.340 2.122 0 40 FEAB CCCn1nnnc1COC(=O)C(O)(c1ccccc1)c1ccccc1 7482245 UQKYMYULGJLBNJ-UHFFFAOYSA-N 352.394 2.062 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCCCCC2)c1 16094029 RLQKBANAPDTVQG-UHFFFAOYSA-N 369.439 2.215 0 40 FEAB NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1F 68396200 OMTUKHCUSMUEOE-KBPBESRZSA-N 361.417 2.292 0 40 FEAB O=C(CN1CSCC1=O)Nc1ccnn1Cc1ccccc1Cl 9255956 YAXGLQRLSPTWFI-UHFFFAOYSA-N 350.831 2.056 0 40 FEAB COc1ccc(CCNC(=O)c2nc(-c3cccnc3)no2)cc1OC 9405760 CJJLICJKDVZZJI-UHFFFAOYSA-N 354.366 2.121 0 40 FEAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 9547879 DZSCLCSLWPYHEE-CJNGLKHVSA-N 352.346 2.155 0 40 FEAB CN1CC(=O)N(CC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C1=O 84839039 AKHQNKVQHOMPAG-FMQWLBJXSA-N 355.438 2.365 0 40 FEAB C[C@]1(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CCOC1 95959357 LHPGBYDMUUWCBK-LJQANCHMSA-N 361.442 2.329 0 40 FEAB CNC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)c1C 78067229 GAKGWXCIPGDDSH-UHFFFAOYSA-N 353.357 2.327 0 40 FEAB COc1ccccc1OCC(=O)N1C[C@H]2OC[C@H](CN3CCCCC3)[C@H]2C1 306134152 NEMKMSHDFQJOMX-SQGPQFPESA-N 374.481 2.033 0 40 FEAB O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1 35315315 XGUNZKHGTYTZLL-UHFFFAOYSA-N 354.435 2.141 0 40 FEAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 62720462 CLHKCYYOXBCUTP-VIFPVBQESA-N 359.817 2.173 0 40 FEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217501735 AGNXEKCULYRLBY-AWEZNQCLSA-N 370.471 2.444 0 40 FEAB COc1cccc(-c2nc(CC(=O)NCCCC(=O)O)cs2)c1OC 36354993 FOCCGWSYFTXNFT-UHFFFAOYSA-N 364.423 2.351 0 40 FEAB Cc1ccc(Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1 32615399 QPODCCYPEIYPGD-UHFFFAOYSA-N 358.401 2.310 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1 30853134 KWSCVGBOUAICRB-UHFFFAOYSA-N 370.434 2.309 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238869117 MLTNSZKFGJSOOO-GASCZTMLSA-N 358.825 2.045 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)C(=O)O)cc1 218630198 ZHUZNAAJMSGAJY-JFIYKMOQSA-N 363.410 2.104 0 40 FEAB Cc1ccccc1-c1noc(CCC(=O)N2CCC3(CC2)OCCO3)n1 41184322 JIGYYBTXXJZVTK-UHFFFAOYSA-N 357.410 2.343 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1F 224316378 VXUVPZIUTXNGJB-UHFFFAOYSA-N 368.405 2.043 0 40 FEAB CN1CCC[C@@H](CNc2nc3c(F)cccc3n2C)[C@@H]1c1ccnn1C 574932130 DZDQNPYJVYYRGI-SCLBCKFNSA-N 356.449 2.941 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 225256420 SQSBJTCZHGGHKS-KRWDZBQOSA-N 354.406 2.093 0 40 FEAB CCN1CCN(S(=O)(=O)c2cc(Br)c(C)cc2C)CC1 41091676 HCRLEAJTODKEAO-UHFFFAOYSA-N 361.305 2.392 0 40 FEAB COc1ccc(NC(=S)NCCCN2CCOCC2)c2cccnc12 225586214 HCDYEAHBQJSFAB-UHFFFAOYSA-N 360.483 2.252 0 40 FEAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C(=O)C3CC3)C2)C1 577052306 NBLIEBCSNSXNKM-MAUKXSAKSA-N 356.470 2.043 0 40 FEAB O=C(N[C@@H]1COC2(CCN(C3CCOCC3)CC2)C1)c1cccs1 96221271 XPFQFSVMUBSLPT-AWEZNQCLSA-N 350.484 2.280 0 40 FEAB CCS(=O)(=O)N1CC[C@@]2(COCc3c(C)nc(-c4ccccc4)nc32)C1 96244701 CQZYEJRUCZXVKO-IBGZPJMESA-N 373.478 2.275 0 40 FEAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ccc3cn[nH]c3c1)CS2 90609883 NYELAAXRBCTEPK-LBPRGKRZSA-N 369.450 2.351 0 40 FEAB O=C(O)CCN(C(=O)[C@@H]1CSc2ccccc2O1)C1CCOCC1 583650603 POBWWMPNNCXJRI-AWEZNQCLSA-N 351.424 2.022 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccc(F)cc1 96181824 BIQMPFVSPYGWNE-SJLPKXTDSA-N 358.417 2.138 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C(=O)c1ccco1)C2 96044990 OZXSNLNUFDAUSQ-HNNXBMFYSA-N 359.426 2.196 0 40 FEAB Cc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1 96240835 XBFWGWDMYIENDY-GOSISDBHSA-N 356.466 2.390 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 242744037 DFLAWZAAHLHFRB-UHFFFAOYSA-N 364.442 2.246 0 40 FEAB Cc1ncc(-c2cncc(C[C@H]3CCCN(S(C)(=O)=O)C3)n2)s1 257342122 ZNDYQBPJGDYYED-GFCCVEGCSA-N 352.485 2.123 0 40 FEAB Clc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 542765622 NNYONWFUUNTMQU-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB Cc1noc([C@@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sccc23)n1 590671675 REMIRQBOYLHHFO-BXKDBHETSA-N 358.427 2.229 0 40 FEAB Cc1cc(C)cc(C2(C(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)CC2)c1 673942597 GSEJKSIWDJNHHJ-FQEVSTJZSA-N 369.465 2.172 0 40 FEAB C[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(C(F)(F)F)n[nH]1 1645527988 DOYMVUFPHBWLGM-ZETCQYMHSA-N 351.292 2.100 0 40 FEAB COc1ccccc1CCNC(=O)CSc1ncc2c(n1)CCCC2=O 629200050 RHLHYSUBTWVIMF-UHFFFAOYSA-N 371.462 2.455 0 40 FEAB O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2cscc2Br)C1 630414746 FJEWANXATZREKV-QMMMGPOBSA-N 368.274 2.386 0 40 FEAB O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1nc(-c2ccccc2)no1 631388524 JMVVPBLXJFILNY-NSHDSACASA-N 368.315 2.020 0 40 FEAB Cc1ccccc1[C@@H]1CN(C(=O)c2cnc(C3CCNCC3)[nH]2)CCO1 685941317 CJOFJJMIDHPOSR-SFHVURJKSA-N 354.454 2.399 0 40 FEAB CC1(C)COCCN1C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 64811853 ZUHYGQPUZPNVOQ-KRWDZBQOSA-N 374.481 2.332 0 40 FEAB O=S(=O)(Nc1cnn(Cc2cccnc2)c1)c1cccc(F)c1F 67890729 PEHKJLLALWGBIW-UHFFFAOYSA-N 350.350 2.405 0 40 FEAB Nc1nc(O)cc([C@@H]2CCN(C(=O)C3(Cc4ccccc4F)CC3)C2)n1 630724369 UUMCAMCSIDZRBP-CYBMUJFWSA-N 356.401 2.242 0 40 FEAB O=C(c1ccccn1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12143229 RHKCHGJDJAOPES-UHFFFAOYSA-N 352.373 2.352 0 40 FEAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NC3CC3)nc2-c2ccco2)on1 12251606 NWMCNTIPNYFLNF-LLVKDONJSA-N 354.366 2.306 0 40 FEAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12676729 RGVNYLIKRRJNIM-FZKQIMNGSA-N 373.478 2.402 0 40 FEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1 16575230 FAGGCJRXWQHQQF-CQSZACIVSA-N 354.472 2.011 0 40 FEAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C3CCCC3)c3ncccc23)C1 19016464 LOUREFRSMBUBDX-MRXNPFEDSA-N 369.469 2.074 0 40 FEAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 19344586 KTULDRGIOGFMCL-FQEVSTJZSA-N 370.474 2.451 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCc2ccccn2)n1 19457507 MOXOBPIJUJUPSQ-GFCCVEGCSA-N 358.833 2.473 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19578727 NLHNCWDCFZXCFP-CYBMUJFWSA-N 373.438 2.281 0 40 FEAB COCCNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19593453 ZDKMFLRTTYWCKK-MRXNPFEDSA-N 364.417 2.268 0 40 FEAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O 19661581 FGANMKKTLGVGJR-CYBMUJFWSA-N 362.389 2.223 0 40 FEAB CN(Cc1cc([C@@H]2CCCNC2)nn1C)C(=O)COc1ccc(F)cc1 19709148 DCCNMNFNZILIPA-CQSZACIVSA-N 360.433 2.064 0 40 FEAB CCc1c(C)ncnc1N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1888843389 XEKDVZCOYORZSM-UHFFFAOYSA-N 352.364 2.483 0 40 FEAB O=C(CN1CCCCCC1=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037913166 XKNAUANQTFNMAZ-NRFANRHFSA-N 374.481 2.212 0 40 FEAB COc1cc(-c2ccc(=O)n(Cc3ccccn3)n2)cc(OC)c1OC 5381008 FGTYNEBNQJCGIR-UHFFFAOYSA-N 353.378 2.379 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN=C1c1ccccc1)C(=O)C2 19619263 FMXXEMOFQNKGKA-DNVCBOLYSA-N 360.479 2.474 0 40 FEAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1cccc2c1OCCO2 575616475 LKHXQUGEELUEPI-UHFFFAOYSA-N 368.349 2.303 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2c[nH]c3ccccc23)cc1 5299897 KESYOSRDTBERQZ-UHFFFAOYSA-N 358.423 2.180 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573888 LZMNONNMFVPNAV-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19554310 YOVMEUCOZQZNKA-INIZCTEOSA-N 366.465 2.080 0 40 FEAB C[C@H]1CCCN(C(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)C1 40120330 ITGQDKJWHMMRKY-FXAWDEMLSA-N 369.509 2.294 0 40 FEAB CCNC(=O)CN1CCN(Cc2csc(C3CCCCC3)n2)CC1 40105742 FZEQLOLXFKUMIJ-UHFFFAOYSA-N 350.532 2.445 0 40 FEAB Cc1ccc(C)n1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 40150419 BZRSIHKRSGFESA-OAHLLOKOSA-N 369.421 2.412 0 40 FEAB CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O 905628 RPBLCXVTFUTTCW-UHFFFAOYSA-N 355.419 2.362 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(C)nn23)cc1Cl 4251400 AWINNNPWUABMPR-UHFFFAOYSA-N 364.818 2.226 0 40 FEAB COc1ccc(Nc2nc(N)nc(N)c2S(=O)(=O)c2ccccc2)cc1 6677875 BBCZQYYFUIGPDL-UHFFFAOYSA-N 371.422 2.226 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102082011 OUINHSIMBCNMMJ-FECKYUFXSA-N 350.418 2.375 0 40 FEAB CCc1cccc(CC)c1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859773 FLBKHWAMDCQLDT-UHFFFAOYSA-N 355.438 2.328 0 40 FEAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)N1CCCCCC1 32929844 DGTVMYWMEQXZQF-UHFFFAOYSA-N 373.858 2.386 0 40 FEAB C[C@@H](CNC(=O)c1ccccc1SCC(N)=O)N1CCc2ccccc21 33056790 QDAAMZCCMPUROX-AWEZNQCLSA-N 369.490 2.445 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1OC 56139353 DNSYKVNALXDIQQ-UHFFFAOYSA-N 351.424 2.370 0 40 FEAB CCn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc(C(=O)OC)cc1 2797229 CXPZMOIAERLNGX-UHFFFAOYSA-N 366.830 2.470 0 40 FEAB O=C(NCC(=O)N1CCCC1)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 53214164 DADGGMCYALBSSN-UHFFFAOYSA-N 363.421 2.220 0 40 FEAB Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 12408652 OTZUSSBZUGYSJB-UHFFFAOYSA-N 365.216 2.442 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102205313 SHFFDPCSBXJBFC-YHMRHEDISA-N 374.462 2.433 0 40 FEAB CCOC(=O)c1ccc(N2CCN(Cn3cnc4ccccc43)CC2)nc1 26631540 FTSWQLNWUNNFOX-UHFFFAOYSA-N 365.437 2.388 0 40 FEAB O=C([C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1)N1CCOCC1 44403797 WWALFUSZGQLOBW-HKUYNNGSSA-N 356.466 2.204 0 40 FEAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2091769 NYJXDEFJAKVHJE-NHYWBVRUSA-N 361.394 2.492 0 40 FEAB biogenic Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1 58142372 BSSQGKAIGZCHPR-UHFFFAOYSA-N 350.426 2.316 0 40 FEAB COc1ccc(C)cc1C(=O)CSc1nnc(C2CC2)n1CCC(N)=O 58200907 OJOTXRZTWVUKIJ-UHFFFAOYSA-N 374.466 2.323 0 40 FEAB CNC(=O)COc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)cc1 58213673 YRVYBRAJPABZNY-UHFFFAOYSA-N 366.421 2.292 0 40 FEAB COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 36359031 SRBCBDDRKRIGTA-UHFFFAOYSA-N 373.390 2.469 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1 36392396 RWRFOBXLCINOCT-UHFFFAOYSA-N 369.508 2.193 0 40 FEAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NCc1ccccc1Cl 3497756 AXSXZWOSUXVMJG-INIZCTEOSA-N 361.781 2.339 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 12975229 PCZFLGZHXDEEJU-UHFFFAOYSA-N 362.436 2.299 0 40 FEAB O=S(=O)(c1ccc(CNCc2ccccc2F)cc1)N1CCOCC1 8315157 DPHKDAVJYRJUNG-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 13006332 OUFYMRJBHWIRGM-JTQLQIEISA-N 370.418 2.136 0 40 FEAB Cc1ccc(CN(C)C(=O)CSc2nnnn2Cc2cccs2)o1 8541884 LJZZTSPOAAJXDH-UHFFFAOYSA-N 363.468 2.435 0 40 FEAB CC(=O)N1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)CC1 14117199 HFPJLAQCFNHHNJ-FQEVSTJZSA-N 371.506 2.426 0 40 FEAB COc1ccc(NC(=O)CSc2nncn2-n2cccc2)c(OC)c1 4518368 ZEHHUSDUCPCICL-UHFFFAOYSA-N 359.411 2.139 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCc4ccccc43)ccc21 14373365 RWOTZNXAUCUJRC-KRWDZBQOSA-N 356.447 2.426 0 40 FEAB CCCCOCCCNC(=O)CCC(=O)NCc1ccc(OC)cc1 4616005 NJOHQPMEBWNXKS-UHFFFAOYSA-N 350.459 2.415 0 40 FEAB Cn1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 6643584 BYABUCSRJFNQJU-LBPRGKRZSA-N 365.846 2.177 0 40 FEAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8752202 DSYRMGYKPJKJDT-HXUWFJFHSA-N 365.389 2.163 0 40 FEAB Cc1cccnc1CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 93173796 PYXALMWBNPPNQI-UHFFFAOYSA-N 365.421 2.178 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 7059818 NWZMNHLULDJBLA-UHFFFAOYSA-N 355.847 2.456 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)ccc2C)c2ccccc2O1 7253059 QEVADEQUTIFHGN-GOSISDBHSA-N 353.422 2.256 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CC3)cc(-c3ccccc3)nc21 15658220 CRCOURZHKZKMSD-UHFFFAOYSA-N 364.405 2.054 0 40 FEAB CN(C)c1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 7435176 LNNNNYSRJUCPQJ-UHFFFAOYSA-N 367.449 2.258 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccc2c(c1)OCO2 7641240 DCLIXUDKHKGQPW-CYBMUJFWSA-N 361.442 2.394 0 40 FEAB COCCNc1oc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 7636141 MKEVNXAAHIXLHZ-UHFFFAOYSA-N 363.801 2.209 0 40 FEAB COc1ccccc1[C@@H](NS(=O)(=O)c1ccccc1)c1nccn1C 9338300 SMKFYFIYXTYGQA-QGZVFWFLSA-N 357.435 2.497 0 40 FEAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 9595728 FHGNOGSUGISTRC-BTYIYWSLSA-N 369.465 2.419 0 40 FEAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 28011724 PWQLOIXXBGKKFZ-AWEZNQCLSA-N 351.406 2.428 0 40 FEAB Cn1ncc(NC(=O)[C@H](c2ccccc2F)N2CCOCC2)c1C1CC1 97163162 FTMWSBNTDUPNSB-SFHVURJKSA-N 358.417 2.449 0 40 FEAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 84507119 ZPFJICBRZCHMCE-SECBINFHSA-N 353.318 2.213 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 95349559 NLWVDAIGRBJIGJ-KRWDZBQOSA-N 372.465 2.371 0 40 FEAB COC(=O)C1(N[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 95452677 NJYYWSNPHQGFIT-JTQLQIEISA-N 355.232 2.380 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 23977127 JNPYXBURRSLGRE-INIZCTEOSA-N 366.508 2.408 0 40 FEAB CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 113969969 RQBJSMNTNVNEHD-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 408550509 DAGSXXVZIRJAFT-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB NC(=O)COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408808804 GCTZMTYMLCXRFD-UHFFFAOYSA-N 372.401 2.453 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408601312 FKXQZIYIAXEOFI-HNNXBMFYSA-N 368.499 2.401 0 40 FEAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 32444664 FWTUNPBWWDRRMH-UHFFFAOYSA-N 351.255 2.284 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 226041987 JFFSURYWDYCMER-UHFFFAOYSA-N 364.785 2.361 0 40 FEAB Nc1nc(=S)[nH]cc1S(=O)(=O)c1ccc(Br)s1 44842001 LWCCJVFKTZFOJM-UHFFFAOYSA-N 352.260 2.378 0 40 FEAB O=C(CC1CC1)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244238 BTBLUZNMWWYQAC-HXUWFJFHSA-N 368.437 2.482 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 96218029 DBGLTRJBEJQSDK-FQEVSTJZSA-N 353.470 2.362 0 40 FEAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1ccnn1C 96118365 UCVWDXITQUMNJC-CQSZACIVSA-N 370.409 2.143 0 40 FEAB O=C(O)c1cccc(-c2nc(CN3CCOC[C@@]34CCOC4)cs2)c1 578515320 RNGPNLAXOSVPOH-SFHVURJKSA-N 360.435 2.500 0 40 FEAB Cc1cccc2nc(C3CCN(CCN4C(=O)N[C@@H](C)C4=O)CC3)oc12 579083275 MPCQMDNCZDHOLW-ZDUSSCGKSA-N 356.426 2.256 0 40 FEAB Cc1nc(NC(=O)CN2CCCC[C@H](O)C2=O)sc1Cc1ccccc1 585088636 RPGJISDTBRXFCT-HNNXBMFYSA-N 373.478 2.354 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@H](CNc2noc(-c3ccccc3)n2)C1 585080351 USLLDKDDCYNVIS-AWEZNQCLSA-N 364.471 2.600 0 40 FEAB Cc1nn(C)c2n[nH]c(NC(=O)[C@H]3CCC(=O)N(C)[C@H]3c3ccccc3)c12 585139756 YNZWENDESYGVAC-BBRMVZONSA-N 366.425 2.153 0 40 FEAB O=S(=O)(C1CCCCC1)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257227309 FOROTQGSSXYGIB-VNQPRFMTSA-N 350.488 2.261 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)s1 257201671 AINBLGBYMRCEDO-INIZCTEOSA-N 358.454 2.294 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccc(Cl)c1 257317779 VLCGVPNFWWGQJF-AEFFLSMTSA-N 363.889 2.414 0 40 FEAB CCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)n(C)n1 257214834 CNPDTZAPUZTMEZ-ZNWBIBPKSA-N 358.486 2.377 0 40 FEAB CCN1CCN(Cc2ccc(NC(=O)c3ccc(C(=O)O)nc3)cc2)CC1 613697486 VOLOTASOXKMOOB-UHFFFAOYSA-N 368.437 2.170 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)c1 652384807 ODCAAKIRQZNYJS-NUEKZKHPSA-N 356.463 2.184 0 40 FEAB Cn1cncc1[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1CNC(=O)C1CC1 1775962929 XYXUCLVOWYKYFS-HZPDHXFCSA-N 373.888 2.210 0 40 FEAB O=C(c1c[nH]c2ccccc12)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575403269 GQXAMEMWXYJKMV-AWEZNQCLSA-N 364.405 2.411 0 40 FEAB COc1cccc2c1OC[C@@H](NC(=O)NCc1c(C3CC3)cnn1C)C2 585097978 FHFUZQXGFHLXLT-AWEZNQCLSA-N 356.426 2.109 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@@H]12 585109459 QVPYHLKDZYCBKE-ZACQAIPSSA-N 374.437 2.433 0 40 FEAB C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1Cc1ccoc1 585097932 PMYQLDXYKUFDNF-CYBMUJFWSA-N 357.389 2.431 0 40 FEAB O=C(N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1)c1cccc(F)c1 685942325 MXQNPQKXQQZFIB-XPKDYRNWSA-N 358.373 2.129 0 40 FEAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1nnc2ccccn12 52758393 ASEPCGGXZDGYDY-GFCCVEGCSA-N 370.434 2.470 0 40 FEAB C[C@H](CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)CN1CCCC1=O 58138194 IZGHXSKAEUBRKJ-TZMCWYRMSA-N 350.846 2.266 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)COc3c(C)cccc3C)CC2)on1 58145707 CYHDVWFSSUWISG-UHFFFAOYSA-N 371.437 2.400 0 40 FEAB COc1ccc(CCNC(=O)N2CCCN([C@H]3CCSC3)CC2)cc1 1565522062 AWJVAWQWRZEBTM-KRWDZBQOSA-N 363.527 2.461 0 40 FEAB O=C(Cc1nc2ccccc2[nH]c1=O)C(=O)NCc1ccc(Cl)cc1 5399525 JMNPOEGSBRTYFG-UHFFFAOYSA-N 355.781 2.005 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1NC(C)=O 11615638 SAOWNWCLVMPOIF-UHFFFAOYSA-N 374.422 2.008 0 40 FEAB O=C(Nc1ccccc1F)N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12113741 ZQXFGFZHURBKGR-UHFFFAOYSA-N 357.389 2.099 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 12196656 DGQYGZGBUNUMPO-LBPRGKRZSA-N 354.453 2.058 0 40 FEAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)NC(C)C)CC2)C1 12365565 DSWYLOQITNSSNO-UHFFFAOYSA-N 373.497 2.095 0 40 FEAB CC(C)c1n[nH]c(SCc2nnc3n(C)c(=O)c4ccccc4n23)n1 12534200 JIOVIADAQRRVME-UHFFFAOYSA-N 355.427 2.115 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 13320887 TVIBHIQPSDGCPZ-RDGPPVDQSA-N 356.466 2.120 0 40 FEAB O=C(NC1CCN(Cn2c(=S)nc3ncccn32)CC1)c1ccccc1 14138175 XNKAOLJOFSNDRA-UHFFFAOYSA-N 368.466 2.112 0 40 FEAB CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(CC)CC1 19501929 CBJAININGSFITQ-SFHVURJKSA-N 358.490 2.209 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cs1 19570785 FAJZSAUWMNHABD-UHFFFAOYSA-N 369.487 2.406 0 40 FEAB O=C(CN1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1)N1CCCC1 19693252 UDHBRXVQKOOOSJ-KRWDZBQOSA-N 370.428 2.278 0 40 FEAB O=C(CC1CCN(C(=O)c2ccc3nsnc3c2)CC1)NCC1CC1 19748471 PAAURTSRADSIME-UHFFFAOYSA-N 358.467 2.460 0 40 FEAB Cn1cc(C(=O)N2CC[C@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)cn1 607854701 WCLFZUHJSGJTDO-ZDUSSCGKSA-N 369.400 2.491 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)c3ccc4c(c3)ncn4C)CC2=O)cc1 19718447 LNMGOZQCPRIAQW-AWEZNQCLSA-N 364.405 2.117 0 40 FEAB O=S(=O)(c1ccc(CNC[C@@H]2CC=CCC2)cc1)N1CCOCC1 9834600 FMPSMVFERYPTFF-MRXNPFEDSA-N 350.484 2.153 0 40 FEAB c1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 1889108790 NBLXAZOCJOLBJK-UHFFFAOYSA-N 365.485 2.072 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cc[nH]n3)CC2)CN1c1cccc(F)c1 2037989171 YGLAVBBCDXYMIU-LJQANCHMSA-N 358.417 2.337 0 40 FEAB O=C1CC(C(=O)N2CCC[C@@]3(CCCN(Cc4ccccn4)C3)C2)=CC=N1 2056224405 INJMLZZIBCQIOJ-OAQYLSRUSA-N 366.465 2.214 0 40 FEAB C[C@]1(C(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)CC=CCC1 1565546576 HIPLYUAFBTZZPF-YZGWKJHDSA-N 359.470 2.264 0 40 FEAB Cc1csc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1 1565554508 TWDWMCLKDNLTBN-RDJZCZTQSA-N 364.511 2.398 0 40 FEAB COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1cccs1 717416 ZLYXKFBGBYVQEZ-LBPRGKRZSA-N 363.435 2.440 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 811636 LEMVXFLDSISVNM-INIZCTEOSA-N 362.382 2.281 0 40 FEAB Cc1nc(SCc2nc(-c3ccc(F)cc3)no2)[nH]c(=O)c1CCO 12415035 OXYFVLRJTBUGFP-UHFFFAOYSA-N 362.386 2.095 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccc(F)c(F)c1)C2 2055814236 VNFIZBQNONJTCH-FQEVSTJZSA-N 372.419 2.283 0 40 FEAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4cccs4)cc1c32 101078855 GMWZAQKMKWDRDZ-LLVKDONJSA-N 369.446 2.399 0 40 FEAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 225632295 XSUGCSPMSLYGFA-UONOGXRCSA-N 355.818 2.286 0 40 FEAB C[C@H](Cc1cc2ccccc2o1)NC(=O)C1CCN(S(C)(=O)=O)CC1 575415722 XQGINWYPXNBLJU-CYBMUJFWSA-N 364.467 2.152 0 40 FEAB O=C(NC1CCN(c2cnsn2)CC1)c1cccc(-n2cccn2)c1 575617073 XKKINBIWOIAQQJ-UHFFFAOYSA-N 354.439 2.123 0 40 FEAB COc1ccc(CCNC(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)cc1 75155495 WUCDIQVARQVWLR-FQEVSTJZSA-N 372.421 2.173 0 40 FEAB Cc1nc(N2CCN(C(=O)c3c(C)noc3C)CC2)cc(C(F)(F)F)n1 225732828 TVUXHBXIADXCRS-UHFFFAOYSA-N 369.347 2.371 0 40 FEAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc2[nH]cnc2c1 30690221 KEOVNCGQFQTOFM-IBGZPJMESA-N 350.422 2.366 0 40 FEAB CC(C)Oc1ccc(NCC(=O)NCC(=O)N2CCCC2)cc1Cl 50783087 SJLSZWWTIGPISU-UHFFFAOYSA-N 353.850 2.278 0 40 FEAB COC(=O)c1cc(NCC(=O)NCc2cccc(OC)c2)c(F)cc1F 45734586 QPKXBBMABDYYJR-UHFFFAOYSA-N 364.348 2.488 0 40 FEAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1n[nH]c(=O)c2ccccc12 29286634 LOABMGRXGLTHRW-UHFFFAOYSA-N 362.389 2.298 0 40 FEAB COc1ccccc1NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 917794 SJSZXRMVJZGXJR-UHFFFAOYSA-N 369.381 2.005 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 11859144 SMLKJICDHLUSRA-JTNHKYCSSA-N 371.340 2.247 0 40 FEAB COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 20732907 HATUOBNFDVLBMZ-SFHVURJKSA-N 374.481 2.338 0 40 FEAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1941401 NSGCZQLDOHMMMD-UHFFFAOYSA-N 366.373 2.027 0 40 FEAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc2c(c1)CCC2 6590749 PPHAQWXSGIWFDB-UHFFFAOYSA-N 360.435 2.279 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 6614958 WPDONLYLMLHYLX-UHFFFAOYSA-N 374.462 2.014 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7325445 RJCNSJDOVRQKAB-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O 8751995 QUMDSJALMKCQTQ-VBKZILBWSA-N 368.437 2.124 0 40 FEAB COc1cccc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)c1 8433584 QFYRSCUNOYIRKW-UHFFFAOYSA-N 370.405 2.274 0 40 FEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1)C(=O)C2 55116570 LKOYPGUMWURARQ-BTDLBPIBSA-N 367.423 2.228 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1OC 782962 XWHVCOWZALBGTM-UHFFFAOYSA-N 354.406 2.302 0 40 FEAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 102609903 AHDKFRVLBWANDH-WCVJEAGWSA-N 357.797 2.252 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)CCc2c(C)nc3ncnn3c2C)c1 55526557 RVSLJESJBUJPTP-UHFFFAOYSA-N 367.453 2.486 0 40 FEAB COCCCNC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61718676 LUSNNOYQRDGZQQ-UHFFFAOYSA-N 350.802 2.374 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)ccc21 107337547 XHAONNRYCIFTSN-AVGNSLFASA-N 350.440 2.236 0 40 FEAB CN(C(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2s1 26966724 WOCCAGQULWRLLB-UHFFFAOYSA-N 365.418 2.454 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)C2=NO[C@H](c3ccccc3)C2)n1 58282196 SKKOJUXZGBZFAA-INIZCTEOSA-N 352.394 2.352 0 40 FEAB CSc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1N 10673742 PVKUCTZQTPXDNS-UHFFFAOYSA-N 363.390 2.463 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc(-c3cccnc3)cs2)C1=O 12634459 ATENMMZGBMVKFR-UHFFFAOYSA-N 373.438 2.254 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 7751856 VLIHHRFSBBKMIE-HXUWFJFHSA-N 366.417 2.378 0 40 FEAB Cn1nc(C(=O)OCC(=O)Nc2ccccc2Cl)c2ccccc2c1=O 3368684 CATJXPAEMAKWSU-UHFFFAOYSA-N 371.780 2.382 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2ccc(C)cc2)cc1NC(C)=O 12793743 AEPDBHPAYQNQAP-UHFFFAOYSA-N 355.394 2.331 0 40 FEAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC2(CC1)OCCO2 12944953 UHSUROXEQHEKER-UHFFFAOYSA-N 353.422 2.340 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccco1 12982432 UDXWESCRTPZAST-BBATYDOGSA-N 359.357 2.063 0 40 FEAB COc1ccc(C)cc1NC(=O)Cn1nnc(COc2ccccc2)n1 7950700 DOSUKKMGIKYTDT-UHFFFAOYSA-N 353.382 2.208 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1OC(F)F)n2C 13132604 JDWDSSILQFJEPI-UHFFFAOYSA-N 364.352 2.492 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 3896015 LQGOTVNDIDVEAX-INIZCTEOSA-N 366.414 2.278 0 40 FEAB COc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326699 WJOCVPAWWRGXQN-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB O=C(NCc1ccccc1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13693096 AQMHVORCKREPFD-OAHLLOKOSA-N 373.478 2.052 0 40 FEAB CNC(=O)c1ccc(NC(=O)CSc2nnc(SC)s2)cc1 8206447 IBRKQPHWLPWBMA-UHFFFAOYSA-N 354.482 2.350 0 40 FEAB COc1ccc(NC(=O)[C@H](N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 14167879 QPWUDXKYPIGMFV-SJLPKXTDSA-N 374.462 2.152 0 40 FEAB CCOCCc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1 4815702 LGZKVSLCKNCHSE-UHFFFAOYSA-N 351.428 2.316 0 40 FEAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCCCCC2)ccc1Cl 5833940 RREQXCYDSLMFGT-UHFFFAOYSA-N 373.906 2.405 0 40 FEAB C[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 67430230 UMTXEEXHUPLBBN-SECBINFHSA-N 365.329 2.039 0 40 FEAB COC(=O)c1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 8735446 NYXGGDCTEXYPQL-UHFFFAOYSA-N 366.373 2.375 0 40 FEAB COC(=O)c1sccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 8946092 YCTQEDMABOIBRN-UHFFFAOYSA-N 358.375 2.160 0 40 FEAB O=C1CCCc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2N1 9096163 GMNSZDHPHSQCAN-UHFFFAOYSA-N 374.418 2.169 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 97011562 GBEZXFVOTKOSLG-MRXNPFEDSA-N 352.390 2.175 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 83897422 MAEMVJCOHVQNAE-MRXNPFEDSA-N 372.352 2.184 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCCS(=O)(=O)C1 95461096 SJFHEPYSQCYJCX-TZMCWYRMSA-N 354.472 2.478 0 40 FEAB CC(C)Oc1cccnc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 79406488 CPIZATZBHFDANS-OAHLLOKOSA-N 370.453 2.419 0 40 FEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1ccccc1 9957387 PRAWVQIIFDWAOG-SFHVURJKSA-N 363.417 2.444 0 40 FEAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460413 RVEDBEVQJZTJMS-KBXCAEBGSA-N 374.462 2.399 0 40 FEAB C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 29987194 SAUVAMJFSRFSGX-IUODEOHRSA-N 360.433 2.316 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408605577 NAXKBMYBLDSGEG-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB O=C(OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C(=O)O)CS1 64219246 BEQBUZLTZXPWID-IRXDYDNUSA-N 355.415 2.458 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217507447 JAZVKULVWPLZLR-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB O=C(O)c1ccc(N2CCCC2)c(S(=O)(=O)NCc2ccco2)c1 217494979 VDCQDROVSMFRQE-UHFFFAOYSA-N 350.396 2.057 0 40 FEAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1ccc2ccccc2c1 39986874 IBZQBJFYWQAVKQ-UHFFFAOYSA-N 364.467 2.003 0 40 FEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 46830854 QYNWHWNZZMOTSU-HZPDHXFCSA-N 363.458 2.342 0 40 FEAB COc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225163372 OIJWKVFUKASSGK-KRWDZBQOSA-N 363.435 2.320 0 40 FEAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96062356 DYJPZPIFDMKOEO-HXUWFJFHSA-N 358.461 2.284 0 40 FEAB COc1ccc(NC(=O)NC[C@H]2COCc3nc4cccnc4n32)cc1 96112564 QMSOPICSFMIYIP-ZDUSSCGKSA-N 353.382 2.333 0 40 FEAB biogenic,in-vitro O=C(c1ccnnc1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96158381 OYGCQZBWTNHFFZ-UHFFFAOYSA-N 351.454 2.390 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 96106246 ZJHZPQWGZWHQTO-OAHLLOKOSA-N 357.410 2.468 0 40 FEAB Cc1nc(CN2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)cs1 96065379 MXZJYWIJXNPRTR-OAGGEKHMSA-N 351.472 2.127 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224466 VJEAHFMEWMEFCZ-FQEVSTJZSA-N 352.438 2.075 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 96344022 ZMQOHUOPQWIUIP-CQSZACIVSA-N 364.405 2.241 0 40 FEAB Cc1ccc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)cc1 248074012 GYOIRQJCPDAUQB-LJQANCHMSA-N 358.482 2.367 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C[C@H]2CCOC2)C1 247540176 SBCLPCGVKDQZDE-CHWSQXEVSA-N 358.891 2.354 0 40 FEAB O=C(Cc1ccsc1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247854488 KAMBAYQIBWRBBI-OAHLLOKOSA-N 368.466 2.048 0 40 FEAB Cc1nccc([C@H]2CN(C(=O)CCN3CCc4ccccc43)CCO2)n1 257252045 JTISIUDRBGBPML-LJQANCHMSA-N 352.438 2.138 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)CCC(=O)O)C1 257307050 SWZVXUSIRFTCKR-ZDUSSCGKSA-N 358.398 2.004 0 40 FEAB Cc1ncncc1C(=O)N1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 257263371 LPOQLLPFZJGSAE-CQSZACIVSA-N 350.426 2.395 0 40 FEAB C[C@H]1C[C@@H](C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)CCN1C 585139494 CDOLMEZKXWAQCG-JSGCOSHPSA-N 354.397 2.498 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 257271670 MZHFZTQCAGQTKO-KRWDZBQOSA-N 350.378 2.253 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260901602 MJZNGRFRFIYOEG-LISAXSMJSA-N 362.495 2.392 0 40 FEAB O=C(CN1C(=O)CC(c2cccs2)CC1=O)Nc1ccc2c(c1)OCO2 90609292 MKYUCOYXAMTKLJ-UHFFFAOYSA-N 372.402 2.348 0 40 FEAB Cc1nc2cc(CNC(=O)[C@H](C)CN3CCOCC3)ccc2n1C1CC1 294171591 CKAUNBXLQPCQAU-CQSZACIVSA-N 356.470 2.264 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3cncn3-c3ccccc3)C[C@@H](C)O2)n1 628862546 UQFXNICZOQLCBC-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB CS(=O)(=O)c1cc(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)cc(C(=O)O)c1 630139940 GFZICWVMWSWOJJ-IXDOHACOSA-N 371.414 2.313 0 40 FEAB O[C@@]1(Cc2nc(-c3cnccn3)no2)CCCN(Cc2ccccc2)C1 643839583 JEKJKGNDNGUDNP-LJQANCHMSA-N 351.410 2.096 0 40 FEAB COc1ccccc1OCC(=O)NCCn1ccc(-c2ccncc2)n1 96026138 WVWNUUJSOXIRGL-UHFFFAOYSA-N 352.394 2.149 0 40 FEAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426070 LVPKLJGSCOFGEH-AWEZNQCLSA-N 365.904 2.236 0 40 FEAB O=C(NS(=O)(=O)c1ccc(F)cc1F)[C@H]1COc2ccccc2C1 69525675 OGWJQOIICSKHEG-LLVKDONJSA-N 353.346 2.021 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCc3nc(C)ncc32)c1 1136745211 PWVYZDPZOLLFGT-MRXNPFEDSA-N 352.394 2.423 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 940922 DYNAFPOGURXFNM-NSHDSACASA-N 352.346 2.096 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2C)C1=O 8088295 QSIDYUKHNACGPK-LFIBNONCSA-N 352.394 2.119 0 40 FEAB COc1ccc2c(c1)OC1(CCN(C(=O)C3CCCC3)CC1)CNC2=O 12225982 OSLHUJZQLZLEQX-UHFFFAOYSA-N 358.438 2.369 0 40 FEAB O=C(CNC(=O)c1ccco1)Nc1ccc(-c2cn3cccnc3n2)cc1 13568837 PYSJBUKCJALELA-UHFFFAOYSA-N 361.361 2.358 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1Cl 16692458 LKWAHNCMXNEPPJ-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccc3ccccc3n1)CC2 19376332 HRIMMCPXGFBZTM-UHFFFAOYSA-N 361.449 2.477 0 40 FEAB COc1nn(C)cc1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575606658 KYSSASTXARURCH-UHFFFAOYSA-N 355.345 2.035 0 40 FEAB NC(=O)c1cc(OC2CN(C(=O)Cc3cccc4ccccc34)C2)ccn1 1889273377 VLHPEBDURHKUEG-UHFFFAOYSA-N 361.401 2.166 0 40 FEAB C[C@H](SCc1ccc(F)cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 15492336 CYQKJIHQDWCUOF-JOYOIKCWSA-N 365.879 2.404 0 40 FEAB CC1CC(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)C1 1565545340 DFQBNHMGKZIGGH-UHFFFAOYSA-N 353.426 2.309 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N(C)C)cc3)ccc21 4411756 LSVUFTYYXGVLFN-UHFFFAOYSA-N 359.451 2.462 0 40 FEAB NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C3CC3)nn2)CC1 585149942 IHDFJLGYXWIUKU-UHFFFAOYSA-N 365.437 2.308 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)Cc1ccsc1 618254701 DNMSSLBLIROJQD-SFHVURJKSA-N 350.484 2.165 0 40 FEAB COc1ccccc1CCN1C[C@H](C(=O)Nc2c(C)nn(C)c2C)CC1=O 218430811 PJNNJFVAITXUOO-MRXNPFEDSA-N 370.453 2.075 0 40 FEAB COCCOCCCNC(=O)c1ccc(SCc2nc(C)no2)cc1 40079677 DGIQHVKNVPCKQW-UHFFFAOYSA-N 365.455 2.453 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc3c(c1)OCO3)C(=O)C2 100169476 IIKJBCGNWZMXPZ-SCLBCKFNSA-N 365.451 2.230 0 40 FEAB CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 4186310 ORWYPJBPIOYHHB-HOCLYGCPSA-N 364.442 2.395 0 40 FEAB COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2c(C)cccc2C)c1 2652846 OOJSECAUWDYMDI-UHFFFAOYSA-N 370.405 2.224 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 55527082 YCAQDDWHRGHQCP-MNOVXSKESA-N 350.362 2.185 0 40 FEAB CCN1C[C@H](CN(C)Cc2cc(=O)n3ccccc3n2)Oc2ccccc21 58289085 BVENDTPDJZCPOT-KRWDZBQOSA-N 364.449 2.414 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1nccn1C 61511959 YETBLGXFWGFDGR-MRXNPFEDSA-N 364.396 2.111 0 40 FEAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cnc3ccccc3n1)C2 100150223 RAEJCDMNWGVABG-HZPDHXFCSA-N 363.465 2.483 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647222 INTQFAPDQVYANJ-LJQANCHMSA-N 352.434 2.232 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ccccn3)CC2)c1 23718838 JCXNXBRRNBPJHU-UHFFFAOYSA-N 359.495 2.294 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 24360761 VZBQARXWLAPRST-GOSISDBHSA-N 374.462 2.151 0 40 FEAB CCCCNC(=O)[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 55029208 WEEUHHVRJLXKRC-OAHLLOKOSA-N 352.523 2.388 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 56122326 GGIKNJCULPBCAK-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)ccc1Br 102352659 ABKXHKWZXOKMGN-RVMXOQNASA-N 352.184 2.350 0 40 FEAB COc1ncccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C 100172267 CRFWXDVHMZNDOS-KBPBESRZSA-N 357.410 2.350 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)CC1 56399285 CKBOHYAHRNUOQF-UHFFFAOYSA-N 369.874 2.365 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)cn1 57127532 BMVARYDEUYPGAR-HZPDHXFCSA-N 370.501 2.353 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35349300 QKDZKLODHGSJHY-CCKFTAQKSA-N 357.498 2.291 0 40 FEAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 108347294 DMYNQCBIMXYCNS-SZMVWBNQSA-N 352.438 2.499 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 26938829 USOWBWZRBDMSHZ-UHFFFAOYSA-N 364.511 2.492 0 40 FEAB O=C(NC[C@H]1CCOC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48183132 ZRPICOBRKFFHKL-KGLIPLIRSA-N 370.371 2.207 0 40 FEAB COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 28202447 BSOBMNXGXXMXFR-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB COC(=O)[C@@H](CNC(=O)c1c(C)nn(C)c1Cl)Cc1ccc(F)cc1 58010105 DQGYWVPXRSMDFH-GFCCVEGCSA-N 367.808 2.283 0 40 FEAB C[C@@H](CN1CCOC1=O)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 58111938 DSYXKCOILWWAQG-VUDBWIFFSA-N 366.801 2.081 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 10234869 ITXUJCDRWFSGQW-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 58311736 NPXIADBXOSZNSY-INMHGKMJSA-N 360.454 2.172 0 40 FEAB COc1cc(C)ccc1OS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 27943947 VMNPLSMJHDYARH-UHFFFAOYSA-N 364.423 2.335 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)OC(C)C 28024364 BPZGMMMGNKQRPC-CQSZACIVSA-N 353.440 2.033 0 40 FEAB COCCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2273112 RGFLEDSKLUWICT-GFCCVEGCSA-N 370.409 2.149 0 40 FEAB CCn1cc(-c2csc(NC(=O)c3nc4ncccn4n3)n2)c(C)n1 36618691 MCBIQGRQJHKHIU-UHFFFAOYSA-N 354.399 2.025 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@H](C)Cn1cc(Cl)cn1 36614862 NYIBDKQRDLGQPB-QMMMGPOBSA-N 367.809 2.051 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3o2)cc1 8262549 LWIIQZFINFAGBO-UHFFFAOYSA-N 360.391 2.435 0 40 FEAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)n1 12908256 CLZZKPCNVHLFJA-LBPRGKRZSA-N 370.500 2.069 0 40 FEAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4nnn[nH]4)c(C)c3cc2c1C 13655633 RXXKOGZCEGOEAW-UHFFFAOYSA-N 353.338 2.159 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1ccccn1 111999970 AASORRDMVSTGON-HNNXBMFYSA-N 362.328 2.065 0 40 FEAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 14161143 JXBHJRKBUKAFBN-MRXNPFEDSA-N 373.478 2.464 0 40 FEAB Cc1c(CCC(=O)Nc2ccccc2C(N)=O)c(=O)oc2cc(O)ccc12 8791442 VYHKVWOODYUNPP-UHFFFAOYSA-N 366.373 2.477 0 40 FEAB biogenic O=C(CSc1nnc2ccccn12)N1CCN(c2ccccc2)CC1 5886447 LVJFLMLOXDMTJY-UHFFFAOYSA-N 353.451 2.170 0 40 FEAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 9157099 BTTNGXPBRAJWHU-OAHLLOKOSA-N 372.494 2.305 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1 15473582 MOHOOHRBXKVXRU-UHFFFAOYSA-N 371.481 2.349 0 40 FEAB CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)/C=C/c1ccccc1 7735331 UREPDYBMMWYRRC-VAWYXSNFSA-N 370.434 2.434 0 40 FEAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCCC1 7990337 OCELJOUOLZFTPF-UHFFFAOYSA-N 374.418 2.452 0 40 FEAB COc1cc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)cc(OC)c1OC 72427452 AKVBLIVXESWLJZ-UHFFFAOYSA-N 370.361 2.248 0 40 FEAB CCOC(=O)C[C@H](c1cn(C)nc1C)c1c(O)[nH]c2ccccc2c1=O 72403062 PNNJHTYWKYMGHM-CYBMUJFWSA-N 355.394 2.361 0 40 FEAB CC(C)(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)OCCO2 95393909 TUHIDTDPKMKENO-UHFFFAOYSA-N 369.421 2.291 0 40 FEAB CCc1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)nc(C)n1 95466349 ZYBGZUOJVKKMKC-UHFFFAOYSA-N 351.428 2.474 0 40 FEAB O=C(NCC[C@H]1CCOC12CN(Cc1ccco1)C2)C1CC(F)(F)C1 306136822 QEKMXNRTFFUIMQ-AWEZNQCLSA-N 354.397 2.422 0 40 FEAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccncc1 32101746 JHFMANDXPNAWDL-UHFFFAOYSA-N 352.394 2.284 0 40 FEAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)ccc1Cl 409057505 PJOVPFWVSQVINQ-UHQDVWGKSA-N 361.781 2.350 0 40 FEAB CCn1c(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)cc2ccccc21 527561496 VLAJBASBUHIYLK-KEYYUXOJSA-N 353.426 2.064 0 40 FEAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 78876990 DUWSZXODIHFZMO-UHTWSYAYSA-N 371.264 2.460 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 72390968 BTBXFZACNVDXKA-HOTGVXAUSA-N 366.465 2.214 0 40 FEAB Cc1oc2c(c1C(=O)N1CCn3c(nnc3[C@H]3CCCN3C)C1)CCCC2 72373959 AMYXMTGLLDENEJ-OAHLLOKOSA-N 369.469 2.481 0 40 FEAB O=C(COc1ccccc1F)NCC1CCN(C(=O)c2ccoc2)CC1 75156970 DMUOYINVCYSPDU-UHFFFAOYSA-N 360.385 2.466 0 40 FEAB CCCNC(=O)N1CCC(O)(c2csc(CN(CC)CC)n2)CC1 225463757 RZXQYUYNNJRADI-UHFFFAOYSA-N 354.520 2.388 0 40 FEAB biogenic,in-vitro COC(=O)c1c(N)sc2c1CCN(c1nccc(C(F)(F)F)n1)C2 95215897 ABLZSJPGAZBUAL-UHFFFAOYSA-N 358.345 2.488 0 40 FEAB CNC(=O)[C@H]1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)c2ccccc21 96079306 CVCOPMWUWJZOCT-INIZCTEOSA-N 364.449 2.192 0 40 FEAB Cc1nc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)cs1 96062328 URMXGJDCRLPKOA-GOSISDBHSA-N 351.516 2.155 0 40 FEAB Cc1noc(C[C@]23COC[C@H]2CN(C(=O)c2cc4ccccc4o2)C3)n1 96218343 PBIHARJQMAFGDT-KUHUBIRLSA-N 353.378 2.456 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 96209897 JNFFYAGKIJPMRB-WIYYLYMNSA-N 355.482 2.345 0 40 FEAB Cc1cccc(N2CCOC[C@@]3(C2)CN(c2ccccc2C)C(=O)CO3)n1 96078312 KUXLUGSOFGINSE-OAQYLSRUSA-N 367.449 2.337 0 40 FEAB C[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nnc2ccccn12 95479462 JDTABCWFPUWXMH-LBPRGKRZSA-N 352.423 2.396 0 40 FEAB O=C(C1CCSCC1)N1CC2(C1)OCC[C@H]2COCc1cccnc1 247806310 BIIYCOHFELRAAZ-KRWDZBQOSA-N 362.495 2.359 0 40 FEAB Cc1ccccc1CCC(=O)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 248170732 VTAWUZIYMRLPQF-IBGZPJMESA-N 372.509 2.267 0 40 FEAB COc1cccc(CC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)c1 257313675 UTOYYNXXIOFJPC-GOSISDBHSA-N 354.454 2.419 0 40 FEAB O=C(c1ccc(O)cc1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257302743 SECZOJUYUDWSMY-SFHVURJKSA-N 368.424 2.481 0 40 FEAB CC1(C)C[C@@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CCO1 97531429 PYKWQTVARNTDKH-WFASDCNBSA-N 359.426 2.241 0 40 FEAB biogenic CC(=O)N1CCc2sc(S(=O)(=O)NC3(C4CCC4)CC3)cc2C1 657022313 GPNXMVYTVNQTAJ-UHFFFAOYSA-N 354.497 2.264 0 40 FEAB CO[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)[C@H]1CCC(N)=O 585276754 DNGBYLUUJBCTIQ-OALUTQOASA-N 358.482 2.379 0 40 FEAB CN1C(=O)CN(C2CCN(C(=O)Cc3cccc4ccccc34)CC2)C1=O 827911143 IXSYNKLEMOEEAO-UHFFFAOYSA-N 365.433 2.267 0 40 FEAB Cc1cnn(CCC(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 71894325 BSGDDDNAPUCLOV-HUUCEWRRSA-N 350.463 2.438 0 40 FEAB CC(C)c1cccc(NC(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)c1 639730377 KTTMWGXPQOICPN-CQSZACIVSA-N 356.426 2.439 0 40 FEAB O=C(O)C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 91293096 DILOOAOACPEUGS-VIFPVBQESA-N 362.607 2.418 0 40 FEAB O=C(O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(Cl)cc1 5895079 LERPDENBYRWOAK-CQSZACIVSA-N 355.799 2.020 0 40 FEAB CC(C)Cn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc(O)cc1=O 12856921 VQOQJNDVRCJLQL-CHWSQXEVSA-N 353.488 2.202 0 40 FEAB CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 13584856 NEHFPEZPPOYDDX-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(CC3=CCCCC3)C2)c2nccnc21 19021534 AOHDXAWPCLRKCS-QGZVFWFLSA-N 368.485 2.252 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1 19210806 KXFHEWLTVUKEKJ-MRXNPFEDSA-N 357.454 2.321 0 40 FEAB CCCc1cc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)no1 19525276 NZOQLCLABWVXRP-LBPRGKRZSA-N 352.394 2.493 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19578730 NLHNCWDCFZXCFP-ZDUSSCGKSA-N 373.438 2.281 0 40 FEAB Cn1c(=O)cc(C(=O)Nc2cccc(Cn3cncn3)c2)c2ccccc21 19715089 KROIIDJVGZMZOQ-UHFFFAOYSA-N 359.389 2.431 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CCN1CCCCCC1 19715155 JQPNILLDNPIVFV-MRXNPFEDSA-N 370.497 2.476 0 40 FEAB O=C(CN1CC(=O)Oc2ccccc21)NCc1ccccc1N1CCCC1 19716787 HZRYTHKHUJDIIO-UHFFFAOYSA-N 365.433 2.329 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)NCc1cccc(OCC(F)F)c1 522550225 NLVNGPSDSJTRRT-UHFFFAOYSA-N 373.359 2.357 0 40 FEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)CC(C)C)c2n1 8946342 NYSNBKZODRRDQH-UHFFFAOYSA-N 362.503 2.311 0 40 FEAB COc1cc2nc(CN3CCC[C@H](n4ccnc4)C3)nc(O)c2cc1OC 591081936 BWKARXVZIHSIOR-ZDUSSCGKSA-N 369.425 2.386 0 40 FEAB O=S(=O)(C1CC1)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888879691 ZXWAULLOEFIVMD-AWEZNQCLSA-N 359.451 2.337 0 40 FEAB Cc1noc(N)c1C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F 16327029 KUVKBOXKHACAMO-UHFFFAOYSA-N 371.315 2.313 0 40 FEAB Cn1cc(N2C[C@@]3(CCCN(Cc4cccc(F)c4)C3)C2=O)ccc1=O 1565541791 ZXWSADZBOGHLDQ-FQEVSTJZSA-N 355.413 2.153 0 40 FEAB COc1cccc(CN2CCn3c(COCc4cccnc4)nnc3C2)c1 2055718377 LNYSXTRFEAXBEJ-UHFFFAOYSA-N 365.437 2.414 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cscn2)C1 2055751229 XIQHQMJKZSSOLH-GOSISDBHSA-N 358.467 2.318 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccs1 23107825 RWIFRWFGDYBWEB-ZDUSSCGKSA-N 368.480 2.101 0 40 FEAB CCNc1cc(NCCNC(=O)Nc2ccc3c(c2)OCO3)nc(C)n1 36708108 UDZZCFGCSNEEHN-UHFFFAOYSA-N 358.402 2.179 0 40 FEAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)cc2C)cc1 75155570 SRHRDMZYJBNFKM-GOSISDBHSA-N 367.442 2.415 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccc(Cl)c2)C1 40088457 HFERYIXSJLSDNE-HNNXBMFYSA-N 372.918 2.451 0 40 FEAB COc1ccccc1CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 40159600 PCMOSWFJLNFKMC-HNNXBMFYSA-N 363.435 2.047 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2nc(-c3cccnc3)no2)n1 40121488 KSCLRSBTOHGQBN-CYBMUJFWSA-N 368.441 2.330 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1nc2ccccc2s1 30971223 LSLNRKNRQZLCIP-UHFFFAOYSA-N 351.387 2.209 0 40 FEAB CCCCCN1CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773646 OFNPVYMAZLWUKF-ZWKOTPCHSA-N 364.511 2.308 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 32080986 KGGPBEVNUPQNII-ZDUSSCGKSA-N 374.418 2.233 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(Br)c1 7758224 MBCRUAOFGCFKBC-UHFFFAOYSA-N 366.215 2.349 0 40 FEAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 20729546 OZZRZZFYHSQFMR-UHFFFAOYSA-N 364.409 2.182 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 4537337 UPJQJHHHBJHBJY-LMHVJCSRSA-N 364.323 2.451 0 40 FEAB Cc1ccc(-n2ncc(N3CC[C@H](C(N)=O)C3)c(Cl)c2=O)cc1Cl 52393998 SQZFJFVBMMNLOJ-JTQLQIEISA-N 367.236 2.159 0 40 FEAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)no1 52435639 YZFRCXNIYXGVOU-QMMMGPOBSA-N 362.329 2.342 0 40 FEAB CCN(CC)C(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10335450 IHJOMKVAQAXEAR-NSHDSACASA-N 362.879 2.372 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc(F)c1 29813693 HIEDPKMARPWHHM-INIZCTEOSA-N 352.369 2.178 0 40 FEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 703572 BYNMBKNIGYBWCZ-GFCCVEGCSA-N 364.203 2.288 0 40 FEAB Cc1cccc(N2CCN(C(=O)NCC(C)(C)N3CCOCC3)CC2)c1C 23641207 WWJOOTIRMYRVSD-UHFFFAOYSA-N 374.529 2.246 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082282 MELPLCAVHISQKD-GHNUZZEDSA-N 354.381 2.206 0 40 FEAB Cc1cc(N2CCOCC2)ccc1NC(=O)CCNC(=O)c1ccoc1 25274710 LIGKZHHAUCZULM-UHFFFAOYSA-N 357.410 2.183 0 40 FEAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(C(=O)c3ccco3)CC2)c1 25336242 JWLGIWOGPXYFME-QGZVFWFLSA-N 358.438 2.094 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)C1CCCCC1)C2=O 43625396 LUZWNRWCVJPYRQ-UHFFFAOYSA-N 364.442 2.180 0 40 FEAB CCOc1c(Br)cc(C(=O)NCCn2ccnc2)cc1OC 43946363 GGDVSXSAYMZRFG-UHFFFAOYSA-N 368.231 2.483 0 40 FEAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 56951834 MJRIZQRZRQXXMN-AEFFLSMTSA-N 368.437 2.049 0 40 FEAB COc1ccc(C)cc1CC(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613773 CYHWGCIKIINHSO-UHFFFAOYSA-N 354.454 2.332 0 40 FEAB COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC 26546443 GVQZUWNGRYYLCB-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CN(C)c1ccc(-c2noc(C(=O)NCCc3ccc(O)cc3)n2)cc1 20717172 VMESWMRCNHWVQD-UHFFFAOYSA-N 352.394 2.481 0 40 FEAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 57525899 FBMBYLXTEBEIDB-UHFFFAOYSA-N 357.454 2.268 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2cccs2)no1 67769865 KDJPJVDUVKROTR-UHFFFAOYSA-N 354.413 2.224 0 40 FEAB O=C(NCCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)n1cnnn1 58094115 LWJAZZUYQVKFCP-KRWDZBQOSA-N 355.829 2.469 0 40 FEAB Cc1ccc([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N(C)C)cc1 58203537 XQSRAXYAKSTXRE-IBGZPJMESA-N 357.498 2.363 0 40 FEAB O=C1O[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)Cc2ccccc21 28089779 JMCKTPLCMACBOP-SFHVURJKSA-N 364.401 2.211 0 40 FEAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1 28040897 FFBHCFQGTSGMBN-UHFFFAOYSA-N 353.394 2.439 0 40 FEAB Cn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@H]1NS(C)(=O)=O 2218139 ALMWMIGMSWPOKU-CABCVRRESA-N 360.464 2.406 0 40 FEAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 12746757 KRBXWGFOXCRWSF-GUYCJALGSA-N 353.374 2.016 0 40 FEAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(c2nccs2)CC1 11187062 UEMBBJGNOCNBTB-UHFFFAOYSA-N 351.815 2.488 0 40 FEAB COC(=O)c1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1 12999180 RIJDDHSXXCXDHJ-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB O=C(COC(=O)[C@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 12934864 UKAWNBMAOXHCFP-MRXNPFEDSA-N 360.410 2.020 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1 13012234 ASXRZXSLOPJHQR-HNNXBMFYSA-N 353.827 2.207 0 40 FEAB COc1cc(Br)c(CC(=O)N2CCC(=O)CC2)cc1OC 8327688 DMPUFEBZEBZITI-UHFFFAOYSA-N 356.216 2.200 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C[C@@H](C)O1 14093248 LKOYHTANBYKRLP-CHWSQXEVSA-N 368.389 2.325 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 65552820 HFYFETKMFRSKGA-GMBSWORKSA-N 366.417 2.132 0 40 FEAB Cc1ccc(OCCSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1 14199364 DXLXZKQAGCPZMM-CYBMUJFWSA-N 367.496 2.197 0 40 FEAB O=C1CN(C(=O)CSc2nc3ccccc3o2)C2(CCCCC2)C(=O)N1 8526573 LJJQQXIKGSRWTK-UHFFFAOYSA-N 373.434 2.108 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-n3ccnc3)cc2)cc1 15329030 JYSJSWLIMVIKSA-UHFFFAOYSA-N 358.375 2.427 0 40 FEAB Cc1ccc([C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C2CC2)cc1 9155308 QZBUNESWGVHOPT-QGZVFWFLSA-N 371.462 2.060 0 40 FEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCc3ccccc3)c2)C1=O 15858581 VRNSLAMONYIASI-UHFFFAOYSA-N 372.446 2.319 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(OC(F)F)cc1 7758190 LQWPGRSUPQHAIQ-UHFFFAOYSA-N 353.325 2.188 0 40 FEAB O=S(=O)(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1cccnc1 96002792 CQUYQWWTGPIWQH-GFCCVEGCSA-N 360.361 2.196 0 40 FEAB Cc1ccc(CN2C[C@H](c3ccnn3C(C)C)[C@@]3(C2)OCCNC3=O)cc1 306127386 FXHIXNCQFKPSSU-WIYYLYMNSA-N 368.481 2.257 0 40 FEAB CO[C@H](C)c1noc(CCC(=O)NCCc2nc3c(s2)CCCC3)n1 89913696 YWFUOSXVCUCFMT-LLVKDONJSA-N 364.471 2.404 0 40 FEAB COCCNC(=O)c1ncn2c([C@H]3CCN(CC4CCCC4)C3)ccnc12 306134001 NBLADSYRPZRMTD-INIZCTEOSA-N 371.485 2.085 0 40 FEAB Cc1ccc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)cc2)o1 72310002 PMCMJIOOMOTXAD-OAHLLOKOSA-N 351.399 2.268 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)n(C)c3ccccc23)n1 72404089 GZHXKSCIQRFVLS-UHFFFAOYSA-N 371.418 2.353 0 40 FEAB CCN(CCO)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 98077128 LUYSFTPSGIALSF-UHFFFAOYSA-N 354.453 2.003 0 40 FEAB CCOC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 73672068 JHGFXBRHRBKLAF-HNNXBMFYSA-N 374.485 2.086 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 79415959 CTKGQILSIQZGRL-MRXNPFEDSA-N 367.858 2.141 0 40 FEAB CCCc1c(COC)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O 22448493 MAVWYLKPEZSAAV-UHFFFAOYSA-N 356.470 2.191 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21)C1CC(F)(F)C1 306123488 AOTMVPQOQYUENS-BPLDGKMQSA-N 356.438 2.356 0 40 FEAB Cc1c(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)ccn1C(C)C 552309272 CHBFHDHQJVQZIO-CRAIPNDOSA-N 357.458 2.203 0 40 FEAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCOCC2)C[C@H]1C(C)C 30880934 XUQOSKSVVMBXKU-BZSNNMDCSA-N 365.518 2.409 0 40 FEAB biogenic,in-vitro Cn1ccc(C(=O)N2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)n1 306140359 URDISVVVRSOCIU-SFHVURJKSA-N 369.450 2.160 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCc2ccc(F)cc2)cc1 75704942 GYODCRAYBZXARG-UHFFFAOYSA-N 351.399 2.274 0 40 FEAB O=C(NCc1nccs1)[C@H]1CC[C@H](C(=O)NCc2nccs2)CC1 539792590 UEVGFYBBSUCFPP-HAQNSBGRSA-N 364.496 2.339 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccco2)cc1 30853398 NSAZNTHADNWJDP-UHFFFAOYSA-N 369.464 2.419 0 40 FEAB COc1cc(C(=O)n2c(=O)n(C(C)C)c3ncccc32)cc(OC)c1OC 72347437 LFDKNYVHBWFKGU-UHFFFAOYSA-N 371.393 2.493 0 40 FEAB Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)n1 72380564 MCNXAXNSTDEBOR-QGZVFWFLSA-N 370.457 2.183 0 40 FEAB CC(=O)OC[C@@H](OC(C)=O)c1cccc([C@H](COC(C)=O)OC(C)=O)c1 13403644 KITPMZGMNVDEMM-HDICACEKSA-N 366.366 2.021 0 40 FEAB biogenic COc1nn(C)cc1NC(=O)c1ccc2c(Br)cnn2c1 1568433043 KZSHJYRQCYFIQR-UHFFFAOYSA-N 350.176 2.091 0 40 FEAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 224708094 VTNRNAZJYSKMNX-UHFFFAOYSA-N 369.782 2.349 0 40 FEAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccccn1 224260205 BYPVOBQRDVLRRX-UHFFFAOYSA-N 360.421 2.451 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2ncccc12 85879112 PRBFVFQMLNJFCH-QGZVFWFLSA-N 360.373 2.314 0 40 FEAB biogenic COc1cccc(CCNC(=O)CC2(Cn3cnnn3)CCCCC2)c1 41105514 YGXCJKQKRXGHRE-UHFFFAOYSA-N 357.458 2.381 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3cc(OC)ccc32)c1 225414451 QKNRPCAFIULBPS-SFHVURJKSA-N 374.462 2.411 0 40 FEAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(C)cc3ccc(C)nc23)CC1 190201137 NZUFZUYFOBNTLZ-OAHLLOKOSA-N 355.438 2.310 0 40 FEAB Cc1cn2c(=O)c(C(=O)Nc3nnc([C@H]4CCCO4)s3)cnc2s1 95480220 DBXXRGRPNAXZMX-SECBINFHSA-N 363.424 2.020 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2=O)n1 96048817 NIMAEEKYHVMOSU-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB CN(C)C(=O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]1)[C@H]2c1cnco1 96087094 MQIFNELPYAWQQJ-QGZVFWFLSA-N 350.378 2.450 0 40 FEAB COCC(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96219935 PYOGTYIHNRCMPM-INIZCTEOSA-N 352.500 2.190 0 40 FEAB O=C(COc1ccccc1)N1CCc2ncnc(N3CCCC3)c2CC1 96255464 UXYGZWHNUAMHSS-UHFFFAOYSA-N 352.438 2.083 0 40 FEAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)Cc3ccsc3)CC2)N1 96199960 JRHARMQEAWUWDK-MRXNPFEDSA-N 355.463 2.351 0 40 FEAB CSc1cccc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)c1 244975265 IIQZTZYTVXZRBM-UHFFFAOYSA-N 366.450 2.459 0 40 FEAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 247537517 RBCHKDGWZFZAAZ-MOPGFXCFSA-N 360.479 2.457 0 40 FEAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 245285444 XKHWJGLNAIBAQI-NBLIUIFLSA-N 358.785 2.382 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(-c3nccs3)cn2)C1 257244834 INAJWBUGSGGRCX-CYBMUJFWSA-N 352.485 2.191 0 40 FEAB CC(=O)N1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)CC1 257305345 SPOHDDGARYXBIE-UHFFFAOYSA-N 366.465 2.115 0 40 FEAB O=C(c1cncnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257278371 OBZGSLZPSXCSLT-DNVCBOLYSA-N 357.385 2.458 0 40 FEAB Cc1cc2nccc(C3CCN(C(=O)CCCn4ccnc4)CC3)n2n1 257316171 VEKZXZIZMQYAPU-UHFFFAOYSA-N 352.442 2.421 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1OC 260905603 RANLTFDURQKLEX-OLZOCXBDSA-N 372.487 2.019 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)cc1 1630694070 YPRWLDVBPIUPLJ-UHFFFAOYSA-N 372.494 2.450 0 40 FEAB CO[C@@H]1CN(C(=O)c2cnn(C3CCCCC3)c2C)C[C@H]1c1cnn[nH]1 622166183 CMLXRRDDIOKKFU-DOTOQJQBSA-N 358.446 2.069 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1nccnc1C)CC2 634691983 RPBCLNNWQHSHES-MRXNPFEDSA-N 357.410 2.376 0 40 FEAB CC(C)c1ccc(-c2noc(CN3C[C@@H]4COC[C@]4(C(=O)O)C3)n2)cc1 662220219 DRTRVLAECKKGFA-DNVCBOLYSA-N 357.410 2.393 0 40 FEAB C=CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 1776002210 XHMZPQQLAGCMRN-GTNSWQLSSA-N 368.836 2.442 0 40 FEAB CCc1cc(CC)c(S(=O)(=O)N2CC(=O)N(C)[C@H](C)C2)c(CC)c1 1309435293 HVLWRZPQJPXDFH-CYBMUJFWSA-N 352.500 2.225 0 40 FEAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1cc2ccccc2s1 575414748 ZZVZAEPAJJQWCA-CYBMUJFWSA-N 364.434 2.348 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCC[C@H](CCO)c2cccs2)cn1C 575622191 XLVXVOYKGXSXRR-CYBMUJFWSA-N 371.528 2.440 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)c2cc(-c3cccs3)[nH]n2)cn1 575620741 UVCWXARXQIFRPO-UHFFFAOYSA-N 365.422 2.259 0 40 FEAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)N1CCC(F)(F)CC1 585095863 QZSJIOKBCOWOHZ-OAHLLOKOSA-N 366.412 2.214 0 40 FEAB O=C(NCc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCC[C@@H](O)C1 684886286 IBNQWKIJNGOHMO-JKSUJKDBSA-N 367.877 2.279 0 40 FEAB CC(C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 56037280 PPMZFSFLTVQCLQ-MRXNPFEDSA-N 371.524 2.225 0 40 FEAB CCc1nnc2ccc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)nn12 76664854 JOVQLIBNLPTEAS-UHFFFAOYSA-N 363.425 2.171 0 40 FEAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cn2cnc3ccccc32)CC1 96374554 HHYNFRXSOQLPOY-UHFFFAOYSA-N 363.483 2.098 0 40 FEAB Cn1nc(C2CCOCC2)cc1NC(=O)Cc1cccc2c1CCNC2 638614494 OKXMGWRSDBRJHZ-UHFFFAOYSA-N 354.454 2.141 0 40 FEAB CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(S(=O)(=O)O)cc1 222226879 AYCUIMULGJGRRZ-UHFFFAOYSA-N 371.436 2.207 0 40 FEAB in-vitro O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)N1CCCCC1 12117418 CVKATPXQLXXWBB-UHFFFAOYSA-N 369.450 2.170 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)N3CCOCC3)C2)on1 12118461 YNEIDFJCKUQANE-OAHLLOKOSA-N 371.441 2.380 0 40 FEAB Cc1cnc(-c2nc(N3CCOCC3)ncc2-c2onc(C)c2C)cn1 12156294 KDSWHVRRSICZTN-UHFFFAOYSA-N 352.398 2.350 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(-n3cccn3)cc2)c1=O 12994847 BJZQJKKEJFCCAU-UHFFFAOYSA-N 362.311 2.200 0 40 FEAB C[C@H]1OCCN(C(=O)c2cn3c(n2)CCCC3)[C@@H]1c1nc(C2CC2)no1 501698443 MXRQHYYCIHFZNM-ABAIWWIYSA-N 357.414 2.082 0 40 FEAB C[C@@H]1CCCN(CCNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 104850734 ZNNFEFFECINCSD-YLJYHZDGSA-N 359.514 2.033 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 2633543 AMDAHQDZYWJSBP-UHFFFAOYSA-N 364.357 2.440 0 40 FEAB C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-n2ccnc2)cc1 5270029 HYQPRSANJQNIJJ-AWEZNQCLSA-N 359.393 2.339 0 40 FEAB Cc1ccc(N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)nn1 1888853243 AKYYONGFRXXREK-TXEJJXNPSA-N 350.348 2.166 0 40 FEAB Cn1cnc(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)cc1=O 1776001271 IURUSOBONWPBNZ-LBPRGKRZSA-N 368.359 2.490 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc4nsnc4c3)C2)c1F 245171844 XYAGYJTZGIFYGA-NSHDSACASA-N 373.413 2.476 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565543371 GJPKKUJCOUTNMI-NJAFHUGGSA-N 355.394 2.398 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C[C@H](NCc1cccnc1)C(=O)O 4139485 BLPOBFKKUKQFCP-AWEZNQCLSA-N 363.801 2.315 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(C(=O)O)c1 4776366 OJOOHJOLGXYNRB-UHIISALHSA-N 371.422 2.239 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccc(F)cc1F 11743741 WNWBIFBIDWPGQR-UHFFFAOYSA-N 356.332 2.014 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@@H](NC[C@@H](O)c3ccccc3)C2=O)cc1 19848245 CEVDMHRNDCXSHC-RTBURBONSA-N 368.433 2.431 0 40 FEAB COc1ccc(Cn2c(SCC(N)=O)nc3ccsc3c2=O)cc1 206598572 ACTVXFDJDWQFRT-UHFFFAOYSA-N 361.448 2.092 0 40 FEAB Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)no1 43941068 WPMPLIDNJDGFND-UHFFFAOYSA-N 374.441 2.160 0 40 FEAB O=c1cc2c(nn1CC1CN(c3ncnc4ccsc34)C1)CCCC2 585604262 FSTAYPSOLCTCKT-UHFFFAOYSA-N 353.451 2.263 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1 40556197 DRVDDFZQVMMWSW-INIZCTEOSA-N 369.446 2.200 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc(NS(C)(=O)=O)c1 40090113 ZYKFDWARIJLLKX-LLVKDONJSA-N 362.407 2.278 0 40 FEAB O=C1C(=O)N(CN2CCN(Cc3ccccc3F)CC2)c2ccccc21 20045190 XHXUGGHKWBETOV-UHFFFAOYSA-N 353.397 2.130 0 40 FEAB Cc1[nH]ccc(=O)c1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 40266751 RONFXLZUFYVQRB-UHFFFAOYSA-N 361.829 2.064 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)s1 51098442 VDMOCBPGPGMWAR-UHFFFAOYSA-N 364.496 2.346 0 40 FEAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(-n2cncn2)cc1 11605576 RTXGBKLTOPGKAH-OAHLLOKOSA-N 373.420 2.398 0 40 FEAB CCN1c2nc3ccccc3cc2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]1C 20621723 KULMUQNOHNVSLD-GFCCVEGCSA-N 366.421 2.043 0 40 FEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccc2c(c1)OCO2 1223072 AEGJQRWWYUALEJ-UHFFFAOYSA-N 371.784 2.039 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C(N)=O)cc3)ccc12 2621992 RIJDZTUVUIMBLL-UHFFFAOYSA-N 352.346 2.218 0 40 FEAB CS(=O)(=O)c1ccc(N(CC2CC2)CC2CC2)c(S(C)(=O)=O)c1 83989546 FAUBLFFSVSSSQL-UHFFFAOYSA-N 357.497 2.120 0 40 FEAB COc1cc(S(=O)(=O)N2CCn3cccc3[C@H]2C)ccc1NC(C)=O 3565502 AWDFXFQLSXTXNX-GFCCVEGCSA-N 363.439 2.221 0 40 FEAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4158630 XFKQZJXIAASPRH-MRXNPFEDSA-N 365.476 2.377 0 40 FEAB Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)[nH]c2c1C(=O)CC(C)(C)C2 32674788 YDLRXXMSZVBERK-UHFFFAOYSA-N 359.470 2.419 0 40 FEAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1 12094781 FSEVOOVTGYSLDG-HIFRSBDPSA-N 367.467 2.427 0 40 FEAB Cc1nn2cc(CCCOC(=O)[C@@H]3CCCN3C(=O)C(C)C)cnc2c1C 69437384 JZYNSZQMRSINGF-KRWDZBQOSA-N 372.469 2.469 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)OCCO3)cc1 8313368 UESYDUCLNYSEBR-UHFFFAOYSA-N 356.378 2.177 0 40 FEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 12390037 WLCDLYJMLCLISO-LBPRGKRZSA-N 352.412 2.298 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1C 47229122 NWWWLVJZGCCVIY-HNNXBMFYSA-N 369.421 2.122 0 40 FEAB COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 953564 QUWHLOBHPRYVHJ-NSHDSACASA-N 351.380 2.239 0 40 FEAB in-vitro Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN1CCC[C@H](C)C1 100142956 DGTDSTOXWANLNV-YSVLISHTSA-N 353.470 2.358 0 40 FEAB O=C(CNC(=O)[C@@H]1Cc2ccccc2O1)Nc1ccc(F)c(F)c1F 58247235 GWNOVYBJIUVESZ-ZDUSSCGKSA-N 350.296 2.162 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCN(c2ccccc2)C1 106670768 HZHQVRONKKKSIU-OAHLLOKOSA-N 358.463 2.407 0 40 FEAB Cc1cccc(OCCCNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 96009240 XXMKSVITLOEHIO-CALCHBBNSA-N 358.438 2.055 0 40 FEAB COC(=O)COc1ccc(NCC(=O)NC(=O)Nc2ccccc2)c(C)c1 55893021 HPZZNZIXADCHKX-UHFFFAOYSA-N 371.393 2.307 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2F)cc1 20245623 HKFHNCUZMBYOJF-UHFFFAOYSA-N 351.403 2.321 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1F 1985891 VHDMSUVZJLDWEQ-HNNXBMFYSA-N 370.380 2.356 0 40 FEAB O=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)N1CCCC1 58016925 SNGADYZFBMFAON-UHFFFAOYSA-N 360.483 2.143 0 40 FEAB O=C(NCCNC(=O)C1CC1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 58227822 UCWCYMPSPYXRCR-OAHLLOKOSA-N 367.396 2.491 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)CCc1ccc(Br)cc1F 58377567 OFSRMHRPFCXSJI-UHFFFAOYSA-N 359.239 2.458 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1 58508114 TZIZDJPRAJXZIH-UHFFFAOYSA-N 354.428 2.275 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 36391679 OINVPNKVINUZPB-UHFFFAOYSA-N 357.498 2.198 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCNC2=O)c1 58973792 WGUFQMKAUZEZOW-UHFFFAOYSA-N 373.434 2.262 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)c2ccccc21 45595189 VCBMYAQKTFXGJY-CQSZACIVSA-N 374.418 2.133 0 40 FEAB CSCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 48367980 DKNOYUDGTKWJOR-UHFFFAOYSA-N 371.509 2.382 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 48311045 RLDWIYHFCSVJDX-OAHLLOKOSA-N 354.422 2.118 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 12868296 CITZNVWEZHQAHB-UHFFFAOYSA-N 365.459 2.245 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)C1 12986523 JLTPKPGFEKZAAD-NXEZZACHSA-N 369.347 2.093 0 40 FEAB Cc1c(F)cccc1NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 408999775 RZXGTNFWRMLBPC-UHFFFAOYSA-N 373.384 2.115 0 40 FEAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 13039008 SBBJIOXCFKOSDL-OWCLPIDISA-N 365.905 2.486 0 40 FEAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)NC3CC3)n2CCC(=O)O)c1 13198456 BIMDSQXOCDZSOO-LBPRGKRZSA-N 374.466 2.487 0 40 FEAB CCCCc1ccc2nc(NC(=O)Cn3[nH]c(=O)ccc3=O)sc2c1 13100373 ILECZNPWPYWFKN-UHFFFAOYSA-N 358.423 2.128 0 40 FEAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nccs2)n1 49549170 YGXJHIXEQOLUSQ-UHFFFAOYSA-N 360.370 2.153 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCO2)c1c[nH]c(C(=O)N2CCCC2)c1 8540817 GSIPUIDBKIWGLB-UHFFFAOYSA-N 370.361 2.019 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)CN(C)C 49946446 YGMHZJSMAJQRAU-MRXNPFEDSA-N 351.466 2.284 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1OC 14188942 JEJUWGBDLSRLGT-OAHLLOKOSA-N 373.405 2.227 0 40 FEAB C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cc2ccccc2o1 14184696 STSASXYWYICWHT-LBPRGKRZSA-N 363.373 2.313 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c(OC)c1 5483626 MKZSIHTWWZACIK-ZDUSSCGKSA-N 371.372 2.321 0 40 FEAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(O)c2ccccc23)c(C)c1 67240296 WVHFHURLMZAISC-UHFFFAOYSA-N 354.391 2.433 0 40 FEAB COC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046722 GLZMCZAAPIFGJW-UHFFFAOYSA-N 358.394 2.121 0 40 FEAB C[C@@H](C(=O)NC1CCCC1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046639 IZEOJBQVJDBIEG-SJCJKPOMSA-N 368.437 2.078 0 40 FEAB O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc(-n3cccc3)sc2c1 9482205 BNCPNPCFYBQNGI-GFCCVEGCSA-N 359.432 2.128 0 40 FEAB CC(C)Cn1nc(C(=O)NC2CCC(C(=O)O)CC2)c2ccccc2c1=O 97018579 NXBVOEXUVKFCIN-UHFFFAOYSA-N 371.437 2.426 0 40 FEAB CN(C)[C@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1cccnc1 72310122 WOYURFMVPZVEFL-FQEVSTJZSA-N 366.465 2.123 0 40 FEAB COc1ccc(CCNC(=O)C2CCN(c3ccc(OC)nn3)CC2)cc1 95480449 GNSICAFISZEJPB-UHFFFAOYSA-N 370.453 2.069 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1F)C1(N2CCOCC2)CCCC1 75110009 ARLKJGSVQXQXAC-CQSZACIVSA-N 356.463 2.138 0 40 FEAB CCn1cnc2c(N3CCN(Cc4ccc(OC)c(F)c4)CC3)ncnc21 518351338 YVMLXYURIZYIOH-UHFFFAOYSA-N 370.432 2.316 0 40 FEAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)nc2C1 72398716 NEMHGDKGTPQETL-CZUORRHYSA-N 358.486 2.311 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 31551005 CXBDYOCLOWXFBU-UHFFFAOYSA-N 356.470 2.327 0 40 FEAB CC(=O)Oc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 32721467 KTUMAEQUWBUORV-UHFFFAOYSA-N 351.355 2.407 0 40 FEAB CCc1cnc(CNC(=O)N2CCN(C(=O)c3ccsc3)CC2)s1 76197541 KUONMVLFJZCEMB-UHFFFAOYSA-N 364.496 2.435 0 40 FEAB COc1cc(OC)cc([C@@H](C(=O)O)N2CCC[C@H](c3nc(C)no3)C2)c1 567596100 XMRZKJOQLQSEOA-LRDDRELGSA-N 361.398 2.401 0 40 FEAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058229 MOCLUVQWQPIJMY-YESZJQIVSA-N 351.855 2.217 0 40 FEAB CNC(=S)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225881007 VHUWYTVBLGOBRY-UHFFFAOYSA-N 362.890 2.373 0 40 FEAB COCc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 225090656 JTIVLFQTRDTGHD-UHFFFAOYSA-N 374.418 2.287 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC(C)C 225254285 IGVPHRPOLKNKGW-INIZCTEOSA-N 356.488 2.402 0 40 FEAB Cc1ccc(CN(CC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 225204908 UBBBXPGKEGACJM-UHFFFAOYSA-N 352.500 2.453 0 40 FEAB NC(=O)C1CCN(C(=O)CCCn2cc(-c3ccc(F)cc3)cn2)CC1 227166997 BGDAGOSVPIXKNV-UHFFFAOYSA-N 358.417 2.193 0 40 FEAB CC(C)n1cc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)nn1 573423277 FJXYOMRPAQGKFY-UHFFFAOYSA-N 369.469 2.213 0 40 FEAB Cc1csc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)n1 223249480 LEMFAHFSPNBFNU-UHFFFAOYSA-N 369.468 2.028 0 40 FEAB O=C1CCCN1CCNC(=S)Nc1ccc(Br)cc1F 225812226 ZTJPEWACLBHTKA-UHFFFAOYSA-N 360.252 2.497 0 40 FEAB Cc1cccc(OCC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 583617853 ZVGIQJZFMWEWEI-IBGZPJMESA-N 358.442 2.056 0 40 FEAB COc1cc(N2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)ncn1 96040003 WWCUGJLKNOYOIO-QFBILLFUSA-N 356.426 2.335 0 40 FEAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2 96199883 DQVXMOLOSSCTCX-QGZVFWFLSA-N 356.470 2.083 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@H]2c2nccc(NCC3CC3)n2)cn1 96214929 SKJADHHRPYWAQR-INIZCTEOSA-N 353.426 2.216 0 40 FEAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cccs3)CC2)cn1 257201566 AIEIFIGIKFVVGV-UHFFFAOYSA-N 358.467 2.269 0 40 FEAB CNc1cccc([C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCO2)n1 257330190 XNGUHUXDLXXKRV-MRXNPFEDSA-N 351.410 2.293 0 40 FEAB C[C@@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 604383073 DUPPEVSTHSMYPL-BBTUJRGHSA-N 356.466 2.406 0 40 FEAB biogenic,in-vitro COc1ccc(F)cc1C(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 257216474 CUQPHQMIFPHTQE-INIZCTEOSA-N 359.401 2.407 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260901598 MJZNGRFRFIYOEG-CUSZFKRNSA-N 362.495 2.392 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)CC2CCCC2)C1 1191518170 XCRJUGBYQIYBED-INIZCTEOSA-N 357.497 2.055 0 40 FEAB Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)c1 684503529 RUJAINIGFYGTNO-SFHVURJKSA-N 353.466 2.350 0 40 FEAB Cc1ccc(C(=O)NC2CCN(C(=O)CCc3cnccn3)CC2)cc1 633902105 GSFCQKUMJUVZAF-UHFFFAOYSA-N 352.438 2.139 0 40 FEAB Cc1nnsc1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678537 RYKASPBLSZINTH-UHFFFAOYSA-N 355.423 2.473 0 40 FEAB CCc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cnn1Cc1ccccc1 642363919 WCIWCIQLULCKQL-UHFFFAOYSA-N 366.465 2.188 0 40 FEAB O=C([C@@H]1CCCc2nn[nH]c21)N1CCC(n2c(O)nc3ccccc32)CC1 646594675 BBHRWDMLYLWMNJ-CYBMUJFWSA-N 366.425 2.144 0 40 FEAB COc1cc2nc(C(=O)NC3CCCCCC3)c(=O)n(C)c2cc1OC 646558974 MICRFTOHEKIQSM-UHFFFAOYSA-N 359.426 2.403 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cc(F)c(F)cc1C)[C@@H](C)C2 585097731 NNGOIYRKUCQCQF-NSHDSACASA-N 350.369 2.098 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccoc3C)CC2)cc1F 58393189 KMMWZNLPRDTEKZ-UHFFFAOYSA-N 360.385 2.263 0 40 FEAB O=C(Cc1cn2cc(F)ccc2n1)N1CCN[C@@H](Cc2ccccc2)C1 1302181402 CIFRLVUWAQIYBQ-KRWDZBQOSA-N 352.413 2.059 0 40 FEAB CC(C)OCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 5008433 KOQDHQHWWLMUOC-INIZCTEOSA-N 368.499 2.019 0 40 FEAB O=C1COc2ccc(C(=O)COC(=O)c3ccc4nccnc4c3)cc2N1 5422176 MYKXFOBVNSJNBV-UHFFFAOYSA-N 363.329 2.000 0 40 FEAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(S(N)(=O)=O)cc1 12520287 YQBLALPOWFXZAO-LBPRGKRZSA-N 370.434 2.215 0 40 FEAB COc1ccccc1N1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)CC1=O 19234351 UWBPAVYJCQSCHQ-AWEZNQCLSA-N 364.405 2.187 0 40 FEAB Cc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19287719 KGEIYZVEPHYQIF-KBXCAEBGSA-N 368.485 2.017 0 40 FEAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1 19706388 MMADFELJYYZXTL-QGZVFWFLSA-N 367.497 2.374 0 40 FEAB COC(=O)c1cc2c(=O)n(-c3cc(OC)ccc3OC)ccc2nc1C 19821640 KEFIGKKOYOURES-UHFFFAOYSA-N 354.362 2.498 0 40 FEAB O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)NC1CCCCC1 12087306 ILZYOJHYJYCPEY-NRFANRHFSA-N 371.481 2.092 0 40 FEAB O=C(CCc1cncnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 1565548814 KFZZZNYFEKFWDT-QZTJIDSGSA-N 354.429 2.139 0 40 FEAB Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952384 BRTLZPQPKCBUKT-UHFFFAOYSA-N 365.433 2.137 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)c(OC)c1 7595604 QOHKXOAZUCEQSQ-CQSZACIVSA-N 371.455 2.058 0 40 FEAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCCC1 22767851 KMKRVQOSNIHYRK-UHFFFAOYSA-N 363.421 2.082 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(Cc3nc(C(C)C)no3)CC2)n1 2086884762 VPXFMIMPSKJBBU-UHFFFAOYSA-N 371.489 2.214 0 40 FEAB Cc1nc2ccccn2c1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 38630265 FQNXMKVZMUJDBV-HNNXBMFYSA-N 354.410 2.039 0 40 FEAB CN(c1ncc(Cl)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593727 JCMBGTLSICABDS-UHFFFAOYSA-N 370.848 2.160 0 40 FEAB COc1ccc(C[C@](C)(O)CNC(=O)c2ccc3nsnc3c2)cc1 75155549 VOXVTQRBCVVEDG-SFHVURJKSA-N 357.435 2.423 0 40 FEAB COc1cccc2c1N(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CCC2 31581829 SNYBWZOIJFRKIQ-UHFFFAOYSA-N 374.462 2.490 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C 8265614 BUMQJCQPTVFYIB-HNNXBMFYSA-N 351.406 2.394 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCCCCC1 8263561 FTXLKNDNVVSUDG-OAHLLOKOSA-N 367.515 2.448 0 40 FEAB O=c1[nH]c2nc(NCc3cc(F)ccc3F)ncc2c(=O)n1C1CCCC1 101462644 CMQAVUAXNVDPLP-UHFFFAOYSA-N 373.363 2.485 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C(F)(F)F 20841107 CNASZDGGVGCJNI-UHFFFAOYSA-N 351.741 2.395 0 40 FEAB Cc1cc(C)n2ncc(C(=O)NCc3cccc(N4CCCC4=O)c3)c2n1 32312440 LULOWXBAUWRNOP-UHFFFAOYSA-N 363.421 2.403 0 40 FEAB O=C1O[C@H](C(=O)Nc2cccnc2N2CCSCC2)Cc2ccccc21 51989767 PZNXGDRPTDIQDG-INIZCTEOSA-N 369.446 2.355 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)cn23)n(C)c1=O 4912230 FASPZSIAPPTXKV-UHFFFAOYSA-N 357.801 2.120 0 40 FEAB CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1cccc(C)c1 4940591 ZDUBJTSCTCSLNW-UHFFFAOYSA-N 358.419 2.193 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cs1 6681306 PNUMLYBETYUBIF-UHFFFAOYSA-N 372.443 2.089 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 7248394 SFPHZIHCWGFTJP-OAHLLOKOSA-N 359.513 2.137 0 40 FEAB O=C(CNC(=O)N1CCc2sccc2C1)N1CCc2sccc2C1 102454839 GADDNPYUNLGSKS-UHFFFAOYSA-N 361.492 2.462 0 40 FEAB Cc1ccc(Cc2cnc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@H]43)s2)cc1 32912809 KSOCASJNPBWLMD-DZGCQCFKSA-N 362.476 2.192 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O 52736238 QDJAGLGFYGXIBY-UHFFFAOYSA-N 359.332 2.100 0 40 FEAB Cn1nccc1CN1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108532886 PAAPQWNEJHDVMJ-RDJZCZTQSA-N 352.429 2.326 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 22276419 UAYRZVYWUNLYBU-UHFFFAOYSA-N 372.444 2.487 0 40 FEAB CC(C)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 46802815 XLIBWMLFULSQFH-UHFFFAOYSA-N 367.492 2.346 0 40 FEAB O=c1c(NCCc2ccccc2)c(N2CCN(c3ccccc3)CC2)c1=O 101697550 GRTSHGBCTPMRCM-UHFFFAOYSA-N 361.445 2.264 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@@H](C)[C@H](C)C1=O)c1ccc(Br)cc1 175067602 IRXZEPJFEKWJDT-DCAQKATOSA-N 367.243 2.267 0 40 FEAB CCOC(=O)C1=C(CN2CCC[C@@H]2Cc2ccccc2)NC(=O)N[C@@H]1C 25440418 SAAXFIUAGUJFQO-GDBMZVCRSA-N 357.454 2.212 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2ccsc2)no1 47851759 JHOZWXNJTJVFKH-OAHLLOKOSA-N 354.435 2.471 0 40 FEAB CCCC[C@H]1C[C@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1819556 RDAGPFNTAQTVJC-ZUZCIYMTSA-N 356.517 2.357 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 58163651 DRLJXOJZZIIGSW-CMPLNLGQSA-N 355.822 2.154 0 40 FEAB O=C(CNC(=O)C1CCCC1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58202404 VUNSCGVPKZTFPD-CYBMUJFWSA-N 365.424 2.214 0 40 FEAB CCn1ccnc1CN1CCN(CC(=O)N[C@@H](C)c2ccccc2)C[C@@H]1C 75605866 YMAIVJOAMCYFBJ-ROUUACIJSA-N 369.513 2.287 0 40 FEAB Cn1cnnc1SCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3227122 JCCQTUXBMIRJAQ-UHFFFAOYSA-N 360.892 2.318 0 40 FEAB CC[C@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 3323536 JCICERLHOMSMQN-AAEUAGOBSA-N 362.492 2.140 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl 45501414 MSADKRFBLQWAAV-ZDUSSCGKSA-N 365.282 2.076 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1 3474132 CHQZHMPKSIDIJY-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 3453356 YGIYZTSSBSZVCB-UHFFFAOYSA-N 352.346 2.332 0 40 FEAB COc1ccccc1/C=C/C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3420474 DIAZOGFIGPRILW-VQHVLOKHSA-N 369.373 2.297 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)cc1 12948056 REDYMCFZXXILPX-HNNXBMFYSA-N 350.396 2.295 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12906720 JZIQKJBWZZIUDN-UHFFFAOYSA-N 355.350 2.237 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1cccnc1 17169186 WYAKPOMIASAETD-UHFFFAOYSA-N 369.446 2.220 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2F)Oc2ccccc21 38849275 FUNHEESZAKZIOZ-INIZCTEOSA-N 364.398 2.382 0 40 FEAB CC(C)[C@@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4081792 NWWVCEJQYCCAIN-LIRRHRJNSA-N 355.394 2.313 0 40 FEAB biogenic O=c1c2cnc(N3CCOCC3)nc2ccn1Cc1ccc(Cl)cc1 13638618 VMLBLXMVNDQLLW-UHFFFAOYSA-N 356.813 2.330 0 40 FEAB COC(=O)c1cccc2c1CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 39306309 VDISRTSQZLSVSS-UHFFFAOYSA-N 369.377 2.378 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)cc1 306134141 NEFYYQJKVRKOET-INIZCTEOSA-N 374.462 2.249 0 40 FEAB CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc(O)cc2O)cc1 5104642 AFSFMNZVMZTVBK-UHFFFAOYSA-N 359.378 2.312 0 40 FEAB CN(C)c1ccc(NC(=O)C[C@H](NCCc2ccccc2)C(=O)O)cc1 6319911 HWIGDGNCSOELKY-SFHVURJKSA-N 355.438 2.367 0 40 FEAB CCCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)n[nH]c1=O 6482206 CSRWOQDPZNGLDC-UHFFFAOYSA-N 366.443 2.078 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Br 14198082 UTBMLGGEXLMEOZ-UHFFFAOYSA-N 374.194 2.091 0 40 FEAB COCCSc1nnc(NC(=O)c2ccc(OC(C)=O)cc2)s1 4510427 ZUVXHGJQQFRROQ-UHFFFAOYSA-N 353.425 2.454 0 40 FEAB O=C1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CCN1 65903222 XNAYOSWQGHXOIA-UHFFFAOYSA-N 366.508 2.283 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1=O 14871028 AUDQFEOOGQFAAR-UHFFFAOYSA-N 365.389 2.001 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 8705683 HYBJOGRBNPWCFW-UHFFFAOYSA-N 352.394 2.327 0 40 FEAB COC(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)cc(C(=O)OC)c1 8751864 NYGBQMJWTGXLQM-MRXNPFEDSA-N 355.346 2.202 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2O1 7252739 YKVVXZMKQQUMJS-GOSISDBHSA-N 353.422 2.256 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 7325513 NOVWKEXFEVSZFI-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(C)c1 28207754 BHFMIVFVCICCTN-UHFFFAOYSA-N 368.499 2.417 0 40 FEAB CCN(C(=O)Cc1coc2cc(OC)ccc12)[C@H]1CCS(=O)(=O)C1 7967512 MHGFMOBGVPQZLK-ZDUSSCGKSA-N 351.424 2.020 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1csnn1 9250843 UOVQIOBVUXAIRQ-UHFFFAOYSA-N 366.468 2.355 0 40 FEAB CCCn1c(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)n[nH]c1=O 9469533 RPGCZFZZSDOTLI-UHFFFAOYSA-N 372.458 2.093 0 40 FEAB O=C(NCCN1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 19913803 QGFXODNOSMIFGW-UHFFFAOYSA-N 353.422 2.001 0 40 FEAB COc1ncccc1NC(=O)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 89420739 YHQROUQVPZCEJC-CYBMUJFWSA-N 359.357 2.198 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1C 173775455 HMGZMDWJCMXSTI-UHFFFAOYSA-N 374.462 2.293 0 40 FEAB CN(C)CCCN[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O 56964199 LDFFDURZVRDIRK-ZDUSSCGKSA-N 362.257 2.317 0 40 FEAB CCc1ccc(CN2C[C@@H]3OC[C@H](CCOCC(=O)N(C)C)[C@@H]3C2)cc1 306143322 XYXKSFBXSQDHTD-UFYCRDLUSA-N 360.498 2.191 0 40 FEAB O=C(COc1ccccc1F)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72393870 HZXJGJGTPIGFQA-LBPRGKRZSA-N 355.373 2.277 0 40 FEAB COCCn1c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c2cccnc21 72389481 SSUAXEKZFRJTLM-HZPDHXFCSA-N 372.469 2.026 0 40 FEAB O=C(CSc1nccc(C(F)(F)F)n1)NC(=O)NCc1ccco1 32903555 DNLXSQDVOFOWQX-UHFFFAOYSA-N 360.317 2.207 0 40 FEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)C[C@H]1COc2ccccc2O1 78794783 AGJHCCULPJJTEQ-ZDUSSCGKSA-N 371.437 2.288 0 40 FEAB CCCN1CCCN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)CC1=O 561165992 LBDMEDPWFOCKIC-INIZCTEOSA-N 358.442 2.114 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)N1CCC(N2CCCC2)CC1 47397054 XJEZQYHUAWWZLM-UHFFFAOYSA-N 351.472 2.182 0 40 FEAB COC(=O)c1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)cc1 225225564 PFMHRDJCODUCJC-UHFFFAOYSA-N 370.478 2.383 0 40 FEAB CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c1 224313307 NNHRXXHMZXOKFK-UHFFFAOYSA-N 362.384 2.175 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc(CCC2CCCC2)n[nH]1 95478312 HMYNLKGSKWAXPL-UHFFFAOYSA-N 366.425 2.276 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccs1)C2 96237724 XEHIHGWUOBGFOX-IBGZPJMESA-N 355.463 2.311 0 40 FEAB CC(C)(C)c1csc(NC(=O)CCN2C(=O)c3cccnc3C2=O)n1 95473324 LLJLONJQRQCGJP-UHFFFAOYSA-N 358.423 2.460 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccco4)C3)OCC2=O)s1 96051450 JLTVNJZSFGTCAP-GOSISDBHSA-N 362.451 2.284 0 40 FEAB O=S1(=O)CC[C@H](COc2ncccc2F)C12CN(CC1CCCC1)C2 247291404 BCFVRUMMAIJDRQ-OAHLLOKOSA-N 368.474 2.279 0 40 FEAB Cc1ccc(C(C)(C)CC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 585082202 BEXTXPKFSVDPJF-UHFFFAOYSA-N 366.527 2.451 0 40 FEAB CCO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(OC)c(F)c1)C2 248120220 DJVWIONZNAXEHT-NSHDSACASA-N 361.460 2.119 0 40 FEAB CC(C)CN1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 253396712 DZQRXIKTSFBCCO-KRWDZBQOSA-N 365.543 2.112 0 40 FEAB biogenic,in-vitro CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CCc2cccnc2)n1 257318012 VMDAGIRFRMIARK-IBGZPJMESA-N 352.438 2.409 0 40 FEAB O=C(c1cnnn1C1CCNCC1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1262048218 LAGYPVWSMRWPIL-NHYWBVRUSA-N 357.380 2.007 0 40 FEAB Cn1nncc1C(=O)N1CCC[C@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]21 1775991471 MMSAFFVFKNAULR-IRXDYDNUSA-N 373.501 2.239 0 40 FEAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 643940793 QOSXXEPHKYONCV-INIZCTEOSA-N 358.360 2.288 0 40 FEAB COc1c(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2C2CC2)oc2ccccc12 663227372 QNJUKHGUMQSLLB-ZIAGYGMSSA-N 358.394 2.138 0 40 FEAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cn(C)nc3C)[C@H]2O)c1 585286940 OQXACERMDKXRJE-ATZDWAIDSA-N 357.454 2.375 0 40 FEAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292951 USWAYDIGTZXISB-BVBGJJFLSA-N 366.469 2.357 0 40 FEAB O=C(NCc1ccc(OC(F)F)cn1)N[C@@H]1CCO[C@H]1c1cccnc1 685939051 AIXXVCBXMHEFCP-CABCVRRESA-N 364.352 2.407 0 40 FEAB COc1ccc(OCC(=O)NCCN2CCN(c3ccccc3)CC2)cc1 56965651 SJVBVZJNOGIAEK-UHFFFAOYSA-N 369.465 2.012 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)CC(=O)N(C)O2 1549160649 AABRHXSLXXBTCQ-UHFFFAOYSA-N 357.332 2.177 0 40 FEAB O=C(Cc1ccccn1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12135431 IBGQNIBDBJUVER-UHFFFAOYSA-N 365.393 2.181 0 40 FEAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)[C@H]2C1 12188182 AMZJDUKPYRFOBR-PBHICJAKSA-N 368.474 2.483 0 40 FEAB Cc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cn(C)nc3C)c2c1 12239352 PTJBZWCYXJUKEN-UHFFFAOYSA-N 373.482 2.284 0 40 FEAB Cc1noc(C)c1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 12736914 RVIBXWFBUGVNGV-UHFFFAOYSA-N 362.393 2.369 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 16016079 PGGACJLJRYNDEL-INIZCTEOSA-N 351.406 2.033 0 40 FEAB CCN(CC)C(=O)CN1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19526211 UKULOVGMIUQISR-UHFFFAOYSA-N 373.497 2.162 0 40 FEAB COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)[C@@H]3CCCO3)C[C@H]1CC2 19571896 UUTIXGIUISOBBW-KMFMINBZSA-N 368.437 2.078 0 40 FEAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1OCCc2ccccc21 19661074 KSJDKRJBTIPLIK-QGZVFWFLSA-N 363.410 2.030 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)cc1C 4373175 DJDFHKVJPZXTOW-MRXNPFEDSA-N 358.486 2.144 0 40 FEAB CCSCC(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224114 DHYWRYQASSZCCO-LJQANCHMSA-N 367.559 2.067 0 40 FEAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccc(F)c2F)n(C)n1 1565551722 QXJWAUDMYSXAEG-IRXDYDNUSA-N 360.408 2.382 0 40 FEAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2cccc(F)c2)no1 49407672 ZUZMMNHEOZIQQT-UHFFFAOYSA-N 364.336 2.237 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1csc2ccccc12 575622251 YMKVVONOPWAXLF-HNNXBMFYSA-N 364.496 2.216 0 40 FEAB CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 12412043 XROWLLHVOSCHFE-UHFFFAOYSA-N 353.378 2.216 0 40 FEAB CCOC(=O)C1=C(CN2CCC[C@@H]2Cc2ccccc2)NC(=O)N[C@H]1C 40040773 SAAXFIUAGUJFQO-GOEBONIOSA-N 357.454 2.212 0 40 FEAB C[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cnc2ccccc21 30636668 AHXGBJOWLBJCKB-HNNXBMFYSA-N 365.437 2.145 0 40 FEAB C[C@H](CN1CCN(C)CC1)OC(=O)COc1ccc(Br)cc1 20328336 FIPQYVPSHGCNDX-CYBMUJFWSA-N 371.275 2.007 0 40 FEAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c2c1C 20356506 ZZGCKOKOEKKPGI-UHFFFAOYSA-N 369.402 2.289 0 40 FEAB Cc1cc(=O)n([C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cn1 820540 ZOTNKWUZJMXHQA-NSHDSACASA-N 350.589 2.444 0 40 FEAB C[C@@H](NC(=O)CCOc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 17852362 XPQBUQZPWLYREN-GFCCVEGCSA-N 366.414 2.119 0 40 FEAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 8667867 ATYOGPJIRPZNMU-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB O=C(NCc1cccc(F)c1)c1nc(COc2ccc3c(c2)OCO3)no1 20745674 HFYUEFMICLQHKC-UHFFFAOYSA-N 371.324 2.446 0 40 FEAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccccc1 21023533 NPPHSWNMCJHEJN-UHFFFAOYSA-N 363.352 2.336 0 40 FEAB COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccncc1 3299651 RWYHEUJBLCBBHE-UHFFFAOYSA-N 374.426 2.014 0 40 FEAB O=C(NC1=NCCS1)c1nn(-c2ccccc2)c(=O)c2ccccc12 2625365 GWVPRJNMQYRVFQ-UHFFFAOYSA-N 350.403 2.218 0 40 FEAB COc1ccc(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)c(OC)c1 9421699 MJOVTNJCXBIWPF-VIFPVBQESA-N 359.411 2.489 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OCC)c2)C1=O 6879629 YEFIMZAVJHBPON-ZROIWOOFSA-N 364.423 2.353 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cc3cccc1c23 41124615 DDTCEAWFBRYIAH-UHFFFAOYSA-N 358.419 2.288 0 40 FEAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 11903989 MRNLSWGMWYHUIQ-LBPRGKRZSA-N 374.418 2.260 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2C)ccc1OC 10008888 SWNFJOIYYNGWJI-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 37187939 BCASRWAIOMKYLH-GOSISDBHSA-N 370.428 2.145 0 40 FEAB COC[C@H](C)NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10338368 KRSNVJVIMMBUJU-HNNXBMFYSA-N 356.488 2.001 0 40 FEAB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)NCc1ccccc1 8433569 FQPZDAPNLJOTOJ-UHFFFAOYSA-N 358.369 2.404 0 40 FEAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670238 PVRVWQGJNMJCTJ-NVXWUHKLSA-N 374.464 2.265 0 40 FEAB O=C(NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1ccco1 12374881 MECDCMLHFPYCQU-UHFFFAOYSA-N 360.757 2.143 0 40 FEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccncc1 22621809 SYYZOZLBWSVNJI-HIFRSBDPSA-N 367.405 2.083 0 40 FEAB NC(=O)[C@H](c1ccc(F)cc1)N1CCCN(C(=O)c2ccccc2)CC1 23057796 LDUJZLHIMNQRJC-SFHVURJKSA-N 355.413 2.200 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 23432899 VJOIGAHXNHENFI-FUHWJXTLSA-N 364.511 2.431 0 40 FEAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(O)=NC1=O 59192899 AEMKVHDKSZHGIU-KGLIPLIRSA-N 362.382 2.126 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1O)N[C@H]1CCCC[C@@H]1C(F)(F)F 23966869 NYHSPEWFPSNPGS-RYUDHWBXSA-N 361.316 2.492 0 40 FEAB CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606892 XHEIYFIEJRVWHC-CQSZACIVSA-N 374.528 2.080 0 40 FEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 101582113 ZJFPRBGVMNPBBS-UEFGCPDKSA-N 350.418 2.295 0 40 FEAB COc1ccc(CN2CCCN(c3cnn(C)c(=O)c3Cl)CC2)cc1 26083102 FBABVSCIBSYWIP-UHFFFAOYSA-N 362.861 2.155 0 40 FEAB C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Br)cc1 35302528 MLJYLSPMOPFFAF-GXFFZTMASA-N 355.232 2.175 0 40 FEAB CN(C(=O)CNc1ccccc1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 57861373 MIGLEZBZNDGCEQ-SFHVURJKSA-N 372.490 2.335 0 40 FEAB c1coc(-c2noc(CSc3nnc(N4CCOCC4)s3)n2)c1 58168837 CFJKSVVDBULFBN-UHFFFAOYSA-N 351.413 2.310 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCSCC2)c1 58202433 QSLRUUUOHWSDQL-YOEHRIQHSA-N 361.511 2.336 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C1 58325330 OHWAMAVNTMJNLD-GOSISDBHSA-N 361.461 2.119 0 40 FEAB C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 408999397 CQLAYWZXNFVFAW-KYJSFNMBSA-N 354.406 2.498 0 40 FEAB COC[C@H](C)Nc1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 48314302 VUCDILRSEVXPGY-JTQLQIEISA-N 351.790 2.119 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 3454310 XFRWKKURAICKGT-UHFFFAOYSA-N 371.315 2.091 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(F)cc2)cc1 13004387 RLPVVYGTXTYDEB-UHFFFAOYSA-N 367.398 2.312 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)N1CCCCC1 4073901 RPIUSMDFIMDROA-SGTLLEGYSA-N 362.451 2.286 0 40 FEAB biogenic O=C(O)CCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4181015 TZIBNPSGYMRVPR-CMKMFDCUSA-N 370.405 2.416 0 40 FEAB COc1cc(NC(=O)CCCn2nnc3ccccc3c2=O)cc(OC)c1 5324019 LWBCICUWRAXNHX-UHFFFAOYSA-N 368.393 2.228 0 40 FEAB COc1ccc(CNC(=O)N2CCN(c3ccccn3)CC2)cc1OC 14117543 OGZADASMIOTOBI-UHFFFAOYSA-N 356.426 2.131 0 40 FEAB COc1ccc(CCN(C)c2cn[nH]c(=O)c2Br)cc1OC 14202129 ULJHNJJCZXIEFZ-UHFFFAOYSA-N 368.231 2.229 0 40 FEAB CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O 5575550 JBPDWLLNDFFBLP-LBPRGKRZSA-N 361.448 2.500 0 40 FEAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@H]2C1 80337210 BNEKRFAESMRGBI-YVEFUNNKSA-N 361.833 2.083 0 40 FEAB O=C(NCCCc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842506 HCMVYTHRYIUAME-UHFFFAOYSA-N 372.446 2.116 0 40 FEAB O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccccn1 8023804 HTOULIXTDFHNJF-GOSISDBHSA-N 367.430 2.422 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79056710 YGFVSEXCIMYTFU-GJZGRUSLSA-N 369.506 2.443 0 40 FEAB CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)CC1 74229121 RDRSBJQYZDMFBK-QUCCMNQESA-N 356.514 2.137 0 40 FEAB Cc1noc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4ccccc43)c2)n1 75165601 ZROVULYSBNABCP-INIZCTEOSA-N 350.378 2.010 0 40 FEAB CCN(CC)CCCNC(=O)c1sc2nc(C)n(C)c(=O)c2c1C 31868383 QHMQFRJWUNBBGC-UHFFFAOYSA-N 350.488 2.074 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1 32915245 SEKXASZVELFTDH-OAHLLOKOSA-N 353.827 2.207 0 40 FEAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3ccnn3C)C2)on1 72396733 JTQCOIKLYDFMOS-NSHDSACASA-N 358.427 2.255 0 40 FEAB CC(C)CNC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 72406099 QTRYNIJJSIAMKF-AWEZNQCLSA-N 366.893 2.332 0 40 FEAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC(F)C1 542414011 RUNNCFSQAXGGRX-GFCCVEGCSA-N 361.295 2.054 0 40 FEAB CCCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ncnn23)cn1 36619363 WQEZYNWMJNFYFW-UHFFFAOYSA-N 361.409 2.328 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CO)C(=O)O)cc1 218401286 DSHNHVNKAHUZPF-LMMKCTJWSA-N 360.431 2.306 0 40 FEAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432621 SIKQPQOTOFKFHB-ULQDDVLXSA-N 351.855 2.217 0 40 FEAB O=C(NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)c1ccsc1 96208086 QZLNMPAXSBBZEU-CRAIPNDOSA-N 358.467 2.486 0 40 FEAB Cc1c[nH]cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O 331854423 WXJCUPHWOIOZQI-LBPRGKRZSA-N 374.828 2.223 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(c4ccc(C)nn4)C3)C2=O)c1 96088842 JOPALOSKUYSUFG-FQEVSTJZSA-N 352.438 2.423 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C 245230061 KWVPCEYTUUHIGH-KFWWJZLASA-N 365.547 2.411 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1 257271370 MYADNYLEYLCVMX-OAHLLOKOSA-N 357.458 2.171 0 40 FEAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCc1cccc(F)c1 252478324 AJICCEHWYVDGKC-UHFFFAOYSA-N 358.348 2.452 0 40 FEAB C[C@H](CNC(=O)c1cccn2ncc(Br)c12)c1ncon1 1639144334 KZBQKWWHFLNPLA-MRVPVSSYSA-N 350.176 2.013 0 40 FEAB Cc1ccncc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644495317 QLTZTVLEPHRZAV-OAQYLSRUSA-N 353.466 2.423 0 40 FEAB COc1cccc(CCNC(=O)NCc2ccc3c(c2)CNC3)c1OC 669394800 JGYMEVASNLKQMM-UHFFFAOYSA-N 355.438 2.349 0 40 FEAB Cc1cccc(CO[C@@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)n1 575404427 CEMFMTSLXBQMAC-IBGZPJMESA-N 363.421 2.223 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cc(OC)ccc1Cl)[C@@H]2C 585097615 NQSPXEKPGFTDBH-SNVBAGLBSA-N 350.806 2.304 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c(C)o1 58065262 JODPCINYJYUQAV-UHFFFAOYSA-N 352.394 2.371 0 40 FEAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 58377182 YFTXFEOEVBIDIE-CYBMUJFWSA-N 359.403 2.369 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 5944125 UCZIYQPIKZULGP-UHFFFAOYSA-N 369.240 2.027 0 40 FEAB CC(C)c1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)on1 12362544 SKRJUEMPRXLBCL-UHFFFAOYSA-N 363.439 2.403 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 12374081 NLZSWXDTUFLESS-LLVKDONJSA-N 373.844 2.358 0 40 FEAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nc2ncnn12 19462197 WJGORKLZZIHCFQ-JTQLQIEISA-N 366.381 2.219 0 40 FEAB CCn1nc(C)c([C@@H](C)NC(=O)c2cnc3scc(C)n3c2=O)c1C 19523781 VTCVZKWWHRHTAF-SNVBAGLBSA-N 359.455 2.389 0 40 FEAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1 19706389 MMADFELJYYZXTL-KRWDZBQOSA-N 367.497 2.374 0 40 FEAB CC(C)(C)[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1nc(=O)o[nH]1 1299827225 LDETVPBAUDDEBA-INIZCTEOSA-N 369.425 2.385 0 40 FEAB COc1ccc(CC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 38615544 WOELDVNCUXBXCG-HNNXBMFYSA-N 363.435 2.047 0 40 FEAB COc1ccc(C(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)c(C)c1 1565556039 VJVLJCXLISXDQB-FQEVSTJZSA-N 368.437 2.006 0 40 FEAB Cc1nc(C(=O)N2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cs1 1565553053 ILXZECIQLJQDNU-CXAGYDPISA-N 359.455 2.117 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NC1CCCC1 4328073 JDLPOYLLSVUHIE-UHFFFAOYSA-N 354.439 2.337 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 5221858 MPUDHOJUYCONPP-AWEZNQCLSA-N 360.435 2.087 0 40 FEAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 8762741 UFILWUZEROAZIQ-CYBMUJFWSA-N 365.437 2.477 0 40 FEAB COCC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccnc2)CC1 2055756335 DEHHGBFJYQPCHE-UHFFFAOYSA-N 368.437 2.140 0 40 FEAB CCCCCN[C@H](CC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O 4280093 VWGMVRFPNAXIBB-OAHLLOKOSA-N 350.415 2.425 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3CCCO3)cc12 12326867 MDWLAMRVTNCTCU-MRXNPFEDSA-N 356.401 2.430 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1Cc3ccccc3C(=O)O1)CC2 40162060 PNMLKNNEBRGXIP-LJQANCHMSA-N 367.401 2.370 0 40 FEAB O=C(NCCc1nnc2ccccn12)c1cc(Br)ccc1O 11546325 PKRCJTFUGUGSIN-UHFFFAOYSA-N 361.199 2.170 0 40 FEAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)NCc1cccs1 1331920 NUYGGRQADQHFFP-UHFFFAOYSA-N 360.464 2.110 0 40 FEAB Cc1nc2n(c(=O)c1CCSc1nc3ccccc3c(=O)[nH]1)CCCC2 20722540 CLNYILWBGQJJHU-UHFFFAOYSA-N 368.462 2.459 0 40 FEAB C[C@@H](Nc1ncc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2n1)c1cccnc1 101462505 VOPCVRCDQLTULX-CYBMUJFWSA-N 374.404 2.096 0 40 FEAB O=C(O)CC[C@@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 2700774 ICUZCWOFVITVBP-XJKSGUPXSA-N 370.405 2.063 0 40 FEAB Cc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2C)c1N 2687354 DYYDDGRWJKGSGK-UHFFFAOYSA-N 364.409 2.368 0 40 FEAB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccn1 6229896 UNLDELWEUHVJGW-UHFFFAOYSA-N 358.419 2.317 0 40 FEAB C[C@H]1CN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C[C@@H](C)O1 32777955 NNBHNFSDWMEONA-TXEJJXNPSA-N 364.446 2.216 0 40 FEAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 2649547 WZFGLKLBGYNHGN-AWEZNQCLSA-N 370.361 2.146 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)COc1ccc(Cl)cc1 32850758 FYTHHCBSCFZSEQ-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C 32911707 KUXQMXKGOQJEGK-CJNGLKHVSA-N 359.430 2.215 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 102696127 JWCLYULVJORWMV-DHPDLVEQSA-N 352.173 2.277 0 40 FEAB Cc1ccccc1OCCNC(=O)c1ccccc1N(C)S(C)(=O)=O 55955229 UZSXWSKEMXDISJ-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 21870012 LQHXOQCTDUYPBU-VQAKBWMISA-N 352.500 2.465 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 47406826 UODCXAQURKLXRW-GJZGRUSLSA-N 352.500 2.268 0 40 FEAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102592114 QJQAVIAFPDSGTC-GZXFCSGKSA-N 350.418 2.377 0 40 FEAB C[C@@H]1c2ccsc2CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 7830622 VEWSLAFTOFSNEO-GFCCVEGCSA-N 361.467 2.449 0 40 FEAB O=c1[nH]c(CN2CCN(Cc3ccco3)CC2)nc2cc(Cl)ccc12 23249027 AKEJICFCOQHTMP-UHFFFAOYSA-N 358.829 2.487 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCc1ccccc1CN(C)C 23402892 SMNBINRKERWQJR-UHFFFAOYSA-N 368.480 2.075 0 40 FEAB CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 42663527 QRFWGNDRCDREDI-SFHVURJKSA-N 373.478 2.187 0 40 FEAB COCCOCc1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1 47591348 JLVFRZDULNSEFU-UHFFFAOYSA-N 350.415 2.220 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 100117260 AZYLCOQHARWZNX-IWMXFIMRSA-N 370.497 2.042 0 40 FEAB CCCN(Cn1ncn(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 12543094 YCLNEQZTMPFXPD-HNNXBMFYSA-N 366.512 2.260 0 40 FEAB NC(=O)c1ccccc1COC(=O)c1ccc(CN2CCCC2=O)cc1 105559425 VISPPRKZVNSPOM-UHFFFAOYSA-N 352.390 2.265 0 40 FEAB CCOC(=O)C1=C(COc2ccc(Br)cc2F)NC(=O)NC1 24103423 IJKDKJPMDVKLAU-UHFFFAOYSA-N 373.178 2.097 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2OC)c1 24257653 FGSBBNJQCZGSCZ-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB COc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1Cl 29569735 KSGHHWLEPAWBLO-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2)CC1 25160536 XLJGUQPKNFKRPZ-KRWDZBQOSA-N 373.840 2.407 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102082811 OLEXVNQVJBYREK-UEFGCPDKSA-N 350.418 2.295 0 40 FEAB COc1ccc(OC)c(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 47934736 MOCCWGAUEMQZFC-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 102897817 AMBMNTPTSBLUKW-HOTGVXAUSA-N 370.405 2.143 0 40 FEAB O=c1/c(=C/c2cccs2)sc2nc([C@@H]3COc4ccccc4O3)nn12 27020743 CUOUWNARCFJHRH-IAOKNECISA-N 369.427 2.273 0 40 FEAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCCC1 58202462 LETDFUOZQAHAJY-OAHLLOKOSA-N 358.410 2.130 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3C2)c1 10341937 LRSFSTIFHNQMBD-UHFFFAOYSA-N 350.465 2.148 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)C(=O)NCc1ccco1 58313524 UTIMPXPKYDZDHY-CABCVRRESA-N 370.453 2.207 0 40 FEAB CC(=O)Nc1nc(COC(=O)c2ccc(N3CCOCC3)cc2)cs1 58385169 WRWLJGZJQVDXAK-UHFFFAOYSA-N 361.423 2.295 0 40 FEAB O=C(OCCN1C(=O)CNC1=O)c1c2c(nc3ccccc13)CCCCC2 28137229 WRHMULBUOVBEPV-UHFFFAOYSA-N 367.405 2.212 0 40 FEAB NC(=O)c1ccc(CNC(=O)CCc2nc(Cc3ccccc3)no2)cc1 36391410 YLPKRFYLQAAQDZ-UHFFFAOYSA-N 364.405 2.008 0 40 FEAB CC(C)[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 12747748 XWDIXPZEKLOGHS-IBGZPJMESA-N 362.495 2.475 0 40 FEAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCn2cncn2)C1 48373992 XZWNBKXQKRZEMN-IAGOWNOFSA-N 355.486 2.463 0 40 FEAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nncs4)CC3=O)c2c1 12866571 AKTZRAAAIXHRNJ-CYBMUJFWSA-N 369.450 2.358 0 40 FEAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3464029 POFSUPDYLNXAPW-HNNXBMFYSA-N 358.225 2.285 0 40 FEAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(=O)NC(C)C)c1Cl 8058285 XNNHXPOBOTXWIL-UHFFFAOYSA-N 353.271 2.413 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccoc1C 12903105 PDEHCYYHORSJCN-UHFFFAOYSA-N 350.396 2.290 0 40 FEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCCC2)C1=O 8313495 ZSROHSPHTWXPFI-FQEVSTJZSA-N 351.406 2.229 0 40 FEAB O=C(NC[C@H]1CCCO1)c1nc(-c2nc(-c3ccncc3)no2)cs1 65230639 BJGIEOGPYHURKY-LLVKDONJSA-N 357.395 2.164 0 40 FEAB N=C1Cc2ncnn2C(n2nc(-c3cccs3)cc2C(F)(F)F)=NN1 4478235 IRYIPIZBQQHRLM-UHFFFAOYSA-N 366.332 2.012 0 40 FEAB Cc1cc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)c2cc1C 5345298 RZOVHLGVRDZLGV-UHFFFAOYSA-N 372.402 2.310 0 40 FEAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1 8476225 VOVDRHWCHIJQEY-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB CCn1nc(C(=O)OCC(=O)NC2CCCCCC2)c2ccccc2c1=O 4525527 VYQXLTJYYKWBFY-UHFFFAOYSA-N 371.437 2.412 0 40 FEAB C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 22230443 YJXMBCLISMKEPP-CQSZACIVSA-N 362.451 2.339 0 40 FEAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)c1ccccc1 5586026 XYDUIXBWMNZEJN-CYBMUJFWSA-N 361.419 2.298 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)nc1 6634143 UXCGCJDZLLUXOR-UHFFFAOYSA-N 359.813 2.241 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CSc2ccc(F)cc2F)cc1 14795720 GHPMAYCZLCQIMQ-UHFFFAOYSA-N 372.418 2.021 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)Oc3ccc(C=O)cc3)cc2C1=O 5879604 NKXCGZAVQLUOJT-UHFFFAOYSA-N 367.357 2.351 0 40 FEAB COc1cc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl 15474763 JIIQLGYJPRBGTM-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 8842296 REJJGJOFHBAJSG-OAHLLOKOSA-N 363.414 2.321 0 40 FEAB C[C@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1cnc2ccccc2c1=O 96118726 NKEAWTNVDCPHDW-GFCCVEGCSA-N 360.377 2.381 0 40 FEAB Cn1nnnc1S[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 19926755 VTYIXFRTDVZDPR-HNNXBMFYSA-N 357.414 2.499 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)COC)C2)cc1 9668519 CWOZOZFKRWOHFY-UKRRQHHQSA-N 362.426 2.075 0 40 FEAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCc2ccccc2)CC1=O 111882419 UJYSQMQUQPZGOO-KRWDZBQOSA-N 366.417 2.208 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(C)(=O)=O)CC1 21894973 COSHTEXXSJGUCR-UHFFFAOYSA-N 362.854 2.109 0 40 FEAB COCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 25334794 HRNXHJLGNPIZFR-UHFFFAOYSA-N 362.451 2.401 0 40 FEAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218637347 GJRVVXVSWMWEFA-HRCADAONSA-N 355.818 2.109 0 40 FEAB CCOC[C@@H]1CN(C(=O)Nc2cc(-c3ccsc3)nn2C)CCO1 529086446 SSOMURRAZXDWSG-ZDUSSCGKSA-N 350.444 2.418 0 40 FEAB O=C(c1ccc(Cl)cc1)N(CCCCCO)[C@H]1CCS(=O)(=O)C1 217373571 NDNKQASVRZYIFZ-HNNXBMFYSA-N 359.875 2.132 0 40 FEAB NCC1(CN)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218550835 CAUHBBBAZUMRKN-HZPDHXFCSA-N 368.861 2.323 0 40 FEAB CCOc1cncc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 563807843 QWUCRKUGEQUATA-LIRRHRJNSA-N 353.426 2.434 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 34803725 KBMAKKMTPFZUEU-YQQAZPJKSA-N 360.454 2.351 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 42367915 KGVUIJZDYIYGQH-UHFFFAOYSA-N 351.380 2.048 0 40 FEAB COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224892692 HGMLWVXSSOXFBD-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB COCCNC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1 225460129 SGFWDZUVARZPRA-UHFFFAOYSA-N 373.453 2.317 0 40 FEAB COc1ccc(CC(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 40386073 QPDWPBQOOILEOT-SFHVURJKSA-N 364.401 2.416 0 40 FEAB COc1ccc(NC(=O)N2CC[C@@H](CO)N(C)c3cccnc3C2)cc1 225497191 FERJOSXDFFXEFN-HNNXBMFYSA-N 356.426 2.325 0 40 FEAB biogenic,in-vitro CC(=O)c1ccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)s1 238878519 OQWKSBGQLWDFPF-UHFFFAOYSA-N 360.439 2.154 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC=CCC1)C2 96039583 CFHWUVVSACMQLE-NLWGTHIKSA-N 350.503 2.319 0 40 FEAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1 96081222 DBUZJFFYBGKYMN-KBPBESRZSA-N 356.344 2.167 0 40 FEAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ccccc4o3)[C@H](F)C2)CC1 96112086 JIAOQPNLCIXOKU-QAPCUYQASA-N 361.417 2.378 0 40 FEAB biogenic,in-vitro COCC(=O)N1CCC(Cc2cc(-c3ccccc3C(=O)O)ncn2)CC1 257276387 NTMMTLZLGDSHLE-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC 257342720 ZPWFSFOEBHGKNX-XLIONFOSSA-N 373.497 2.207 0 40 FEAB COc1ccc(F)cc1C(=O)NCc1nccnc1C1CCN(C)CC1 257327693 XCHGVHTYUHILHY-UHFFFAOYSA-N 358.417 2.364 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1ccccc1 257244157 IKDRAZVKNBGOED-XLIONFOSSA-N 371.481 2.115 0 40 FEAB O=C(c1ccn2nnnc2c1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 615992705 JUIWRTQSMXDGNT-SCZZXKLOSA-N 367.253 2.470 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 630222265 FUDPRQFHNAAATM-AGIUHOORSA-N 350.381 2.363 0 40 FEAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1cc(C)ccc1F 656857685 OOCQAQIZGFLEPD-KXBFYZLASA-N 358.417 2.029 0 40 FEAB NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccccc2OC(F)F)c1 604603823 CPPFONVOYSIGLB-UHFFFAOYSA-N 374.340 2.005 0 40 FEAB CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 585289780 NQRIFTZSEISSTD-RCCFBDPRSA-N 352.862 2.165 0 40 FEAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)CCc1cccnc1 585287989 KWQHXKSQLCNSLV-OXJNMPFZSA-N 359.470 2.079 0 40 FEAB CC1CCC(C(=O)N2CC[C@]3(C2)C(=O)NC[C@H]3COc2cccnc2)CC1 585105246 RMEIZHBSGJINSC-ABLAWYLBSA-N 371.481 2.251 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)c1cscn1 585112818 WYCHLWWDMOFLJV-HNNXBMFYSA-N 368.466 2.112 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3cnn(C)c3)C2)cc1F 681292452 ZXLZAQTYKVPLLT-LBPRGKRZSA-N 353.419 2.136 0 40 FEAB Cc1cc(C)n2ncc(C(=O)NCc3ccnc(-n4ccnc4C)c3)c2n1 47287249 LYLRTPZBQYKLEZ-UHFFFAOYSA-N 361.409 2.165 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1 58223686 PRMUYQNAUBOYTN-MRVPVSSYSA-N 363.365 2.090 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(Cc2c(Cl)cccc2C(=O)O)CC1 575810684 SXIICFIJMUKGFZ-UHFFFAOYSA-N 374.890 2.284 0 40 FEAB Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3sccc3n12 12115246 MXRXHQPKXJWQGQ-UHFFFAOYSA-N 366.446 2.378 0 40 FEAB CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 12347161 ZXGHKWGZOHUMQO-LRDDRELGSA-N 359.451 2.038 0 40 FEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575234 GXIQXVDIUSTQTP-OAHLLOKOSA-N 368.499 2.401 0 40 FEAB CN1C(=O)S[C@@H](CC(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)C1=O 19586841 ABRUHXVXXASBSV-JSGCOSHPSA-N 372.450 2.353 0 40 FEAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@@H](c2ccccc2Cl)CC1 206996308 FFSYTJIMUSRKAA-CYBMUJFWSA-N 365.842 2.037 0 40 FEAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(CC1=CCCOC1)C2 19017391 QTZFDCKUDRHNDK-IBGZPJMESA-N 356.470 2.255 0 40 FEAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccccc1C(F)(F)F 253400073 KLTKGMFCQFHSHA-KGYLQXTDSA-N 365.373 2.320 0 40 FEAB O=C(NCC1(N2CCOCC2)CCSCC1)c1cc2ccccc2[nH]1 1888853746 BRGXUMNJUOQIEY-UHFFFAOYSA-N 359.495 2.496 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888906602 FZVZKBCJBYYQMM-ACJLOTCBSA-N 351.414 2.137 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)n1 1848356847 GACXNRWTMUIJNM-UXLLHSPISA-N 371.412 2.007 0 40 FEAB Cc1cnn(CCN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1849834970 CEXHJRVRKNREOL-UHFFFAOYSA-N 369.444 2.453 0 40 FEAB NC(=O)c1ccccc1OCc1cc(=O)n2c3c(sc2n1)CCCC3 24709958 LCSXCOWBSMEEJH-UHFFFAOYSA-N 355.419 2.313 0 40 FEAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1c[nH]c2ccccc12 238879701 OYGBQYXQVYACRG-UHFFFAOYSA-N 367.380 2.458 0 40 FEAB Cc1cncc(CN2CCO[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037980898 MDNAGVXCECKVHB-NRFANRHFSA-N 367.449 2.024 0 40 FEAB Cc1cccc(N2C[C@@]3(CCN(C(=O)CCc4cncnc4)C3)CC2=O)c1 1565551304 LKXUWNNCOGPWGI-NRFANRHFSA-N 364.449 2.373 0 40 FEAB COc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374117 QYKZKQPVUFCYOL-MRXNPFEDSA-N 371.412 2.482 0 40 FEAB COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1 7614069 YUAOVDMBEPERLR-UHFFFAOYSA-N 359.451 2.025 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccoc2)CC1 2055751267 BOPUERMPANDVCX-UHFFFAOYSA-N 371.437 2.129 0 40 FEAB Cn1nccc1-c1cncc(CNC(=O)c2cccc3c2OCCO3)c1 575617306 VPBNQKQQQBDJTQ-UHFFFAOYSA-N 350.378 2.183 0 40 FEAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 575616605 RGQWRZJZUNBZDA-CQSZACIVSA-N 357.376 2.331 0 40 FEAB Cc1ccsc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1 4338270 PHVOQEACDIFSLA-UHFFFAOYSA-N 369.381 2.384 0 40 FEAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccccc1F 4316187 WKOSDBKARHJEGN-UHFFFAOYSA-N 366.312 2.434 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)Cc2ccc(OC)cc2)cc1 75155547 FXNILWMVCVPUPI-FQEVSTJZSA-N 357.406 2.205 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 12565661 XUIWVCFZTBMYSG-DAESXHAQSA-N 369.465 2.161 0 40 FEAB O=C(CSCC(=O)N1CCCCC1)NCCCc1nc2ccccc2[nH]1 40049106 ZECPSDFFQBINKM-UHFFFAOYSA-N 374.510 2.357 0 40 FEAB Cc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1-n1cnnn1 40079735 YUHMDOCXRJPABN-UHFFFAOYSA-N 373.420 2.429 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)NCCC(=O)N1CCCc2ccccc21 40122525 FZWIRAYXRQDHML-UHFFFAOYSA-N 368.481 2.455 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 40121533 BRPNBYLHPFLAAM-ZDUSSCGKSA-N 363.483 2.111 0 40 FEAB COc1ccc(OC)c(-n2cnc3cc(C(=O)NC4CC4)ccc3c2=O)c1 32070833 XPCIHYKMWOYIMG-UHFFFAOYSA-N 365.389 2.295 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 11543161 LEIBHRBMCZDFKY-MRXNPFEDSA-N 359.403 2.200 0 40 FEAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 51467208 LRCBUCDNPUMTNF-OAHLLOKOSA-N 364.511 2.355 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)c1 8261460 UYVMNRBXVNURRA-LBPRGKRZSA-N 354.362 2.416 0 40 FEAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 8271773 OUCOZZAWBNVQGP-NRFANRHFSA-N 369.465 2.345 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 32306777 RDYPXCJVNOXZKR-UHFFFAOYSA-N 373.497 2.268 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O)c1cccc(Br)c1 4299279 JXUDCGNYTGZGJA-MNOVXSKESA-N 360.204 2.460 0 40 FEAB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOC 6961143 HXERGGACTUZLFE-YTBHAWNYSA-N 374.437 2.313 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCC1 8341354 KJPFGWNIZXGIOS-HNNXBMFYSA-N 356.513 2.017 0 40 FEAB O=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 11918203 SAYULZXTVAQOAP-UHFFFAOYSA-N 360.410 2.306 0 40 FEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H](c2ccccc2)C1 29825137 ROHIEGTYGUXPRU-QZTJIDSGSA-N 352.438 2.293 0 40 FEAB COc1ccc([C@H]2NN(C)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 101128050 YCILQXDYTKVXSL-KSZLIROESA-N 351.406 2.053 0 40 FEAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 103978464 OYKLGUHFYCJSNR-HOTGVXAUSA-N 358.413 2.492 0 40 FEAB CCOC(=O)c1sc2ncn(CC(=O)OC3CCCC3)c(=O)c2c1C 2887978 WSYVOXISKLICSD-UHFFFAOYSA-N 364.423 2.429 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCCCCC1 42674444 YVZUZZJIOXKOJT-UHFFFAOYSA-N 352.500 2.394 0 40 FEAB O=C(c1ccoc1)N1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 24439987 KPKDDNOAULDALR-UKTHLTGXSA-N 360.435 2.475 0 40 FEAB COc1ccc(C(=O)NCC(=O)NCc2ccc(SC)cc2)cc1OC 55746696 GEQQOGZGLYWMHN-UHFFFAOYSA-N 374.462 2.472 0 40 FEAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)C2)no1 108130902 NGPSEHLIPKBMFC-NXOAAHMSSA-N 374.485 2.408 0 40 FEAB Cc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(-c2cccc(Cl)c2)n1 57526719 NNWBIVQJBSPEAN-HNNXBMFYSA-N 361.829 2.167 0 40 FEAB Cc1cc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c(C)o1 58178786 QTOIMJXCEQGLNX-UHFFFAOYSA-N 355.438 2.365 0 40 FEAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c12 58377914 CWGZFTQLCLSIEG-MRXNPFEDSA-N 373.501 2.328 0 40 FEAB O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1ccccc1)CN=2 2258569 WSKJUIVFIZNBBD-YBEGLDIGSA-N 355.850 2.447 0 40 FEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCc1nc(C)no1 36398510 DCQWLSUEBBCJBG-UHFFFAOYSA-N 366.368 2.466 0 40 FEAB C[C@H](C(=O)NCCc1cccs1)N(C)Cc1nc2ccccc2c(=O)[nH]1 36389546 OMTAPKCTRFRELL-CYBMUJFWSA-N 370.478 2.164 0 40 FEAB COc1ccccc1N1CCN(Cn2ncc3ccccc3c2=O)CC1 28890739 PYVZYRRBQPHWBS-UHFFFAOYSA-N 350.422 2.185 0 40 FEAB O=C(COc1ccc(F)cc1)N[C@H](CN1CCOCC1)c1ccccc1 12754128 QMTNVQIEOLNHII-LJQANCHMSA-N 358.413 2.394 0 40 FEAB CCN(CCNC(=O)CSc1nnnn1C1CC1)c1cccc(C)c1 12745696 KROGPHRNLZQLJO-UHFFFAOYSA-N 360.487 2.051 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2CCCC2)cc1 12787841 HMNVEFLBZKTHQM-KRWDZBQOSA-N 368.499 2.447 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)Cn1ncc(=O)c2ccccc21 48231676 UFGYZFKGRZZLEG-UHFFFAOYSA-N 355.369 2.073 0 40 FEAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 48355689 RSHVUFGIVXGODI-MRVPVSSYSA-N 354.762 2.250 0 40 FEAB CCC(CC)N(C)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 12894064 BDBBWQOLJXYVET-UHFFFAOYSA-N 357.428 2.069 0 40 FEAB COC(=O)c1c(-c2ccncc2)csc1NC(=O)CSCC(=O)O 17075227 RILPINXXOCXFGV-UHFFFAOYSA-N 366.420 2.353 0 40 FEAB COC(=O)c1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 12944964 DMQZYRRZZVIYTI-UHFFFAOYSA-N 357.391 2.043 0 40 FEAB COc1cc2c(cc1NC(=O)C(=O)NCCN(C)C)oc1ccccc12 13624147 LBLZZTYIENWFPL-UHFFFAOYSA-N 355.394 2.211 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCCCC2)CC1 39539591 BGGJENRWWZORQF-UHFFFAOYSA-N 365.499 2.287 0 40 FEAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F 5215548 PXARANZJVCJPBI-UWVGGRQHSA-N 365.249 2.242 0 40 FEAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N1CCOCC1 14138766 AUTNIPLFBLREAQ-UHFFFAOYSA-N 354.432 2.372 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC)cc(C)c1C 14141559 QZSCAFLAWIGBNN-UHFFFAOYSA-N 362.451 2.150 0 40 FEAB O=C(C1CCN(c2ncnc3cc(Cl)ccc23)CC1)N1CCOCC1 14238528 GFWMNGGAWRFVFW-UHFFFAOYSA-N 360.845 2.358 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(c2ncccn2)CC1 8848212 WYTVFKXSGYYBDE-UHFFFAOYSA-N 365.441 2.073 0 40 FEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H](C)C[C@@H](C)C1 7386188 CYBLQKAJJGAVSR-KFWWJZLASA-N 367.515 2.242 0 40 FEAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)no1 16641610 BJXHWSNIYIMJCC-UHFFFAOYSA-N 364.408 2.493 0 40 FEAB C[C@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 9454745 LAJPGURHJLDLAC-NSHDSACASA-N 366.377 2.009 0 40 FEAB O=c1[nH]c(SCc2nnnn2-c2ccccc2)nnc1-c1ccccc1 9418994 NPFZNISKSNWAKP-UHFFFAOYSA-N 363.406 2.100 0 40 FEAB CCC[C@@H]1N=c2s/c(=C\c3ccccc3)c(=O)n2C(C)=C1C(=O)OCC 408731896 QNQVEWBNTGXGTG-JORMNFRLSA-N 370.474 2.335 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C[C@@H](C)O1 84706409 RCTADBYWXRBKHK-KFWWJZLASA-N 374.528 2.083 0 40 FEAB CCc1nccn1CCCNc1nc(-c2ccccn2)nc2c1CCNC2 77355519 MYWHRFMLLFQEBN-UHFFFAOYSA-N 363.469 2.445 0 40 FEAB O=C(Cc1cc(Cl)cc2c1OCC2)N[C@H](CO)Cc1ccc(O)cc1 543579980 UCAXVGGJXUVTLP-INIZCTEOSA-N 361.825 2.243 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306140037 UHZNTWWLIZXWRK-CABCVRRESA-N 373.888 2.374 0 40 FEAB Cc1cc(C(=O)Nc2ccn(CCN(C)C)n2)nn1-c1ccc(F)cc1F 120000813 XYXCZAIBYJPHKI-UHFFFAOYSA-N 374.395 2.469 0 40 FEAB COc1ccc(OCCNC(=O)c2c(-n3cnnn3)sc(C)c2C)cc1 524733665 CDIASWZPHNYREV-UHFFFAOYSA-N 373.438 2.158 0 40 FEAB CNC(=O)c1cccc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)c1 180409918 CKAHVAAGPGZMSK-UHFFFAOYSA-N 357.376 2.145 0 40 FEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccnc1N1CCCC1 527536129 OQPTZXAPDDSYPA-IBGZPJMESA-N 364.449 2.276 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(O)c1 127806387 WJFLIUSUDPHRGF-UHFFFAOYSA-N 350.369 2.250 0 40 FEAB O[C@@H]1[C@H](O)C[C@H](c2cccnc2)[C@H]1NCc1cccc(C(F)(F)F)c1 77261941 GNMIALIRLDMPRE-QBPKDAKJSA-N 352.356 2.468 0 40 FEAB biogenic,in-vitro O=C(c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n[nH]1)N1CCOCC1 72380542 WIMZZYSZFDPBSV-MRXNPFEDSA-N 374.485 2.168 0 40 FEAB O=C(Nc1nccs1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 186499759 LBDLIUQJFVPSDV-UHFFFAOYSA-N 364.378 2.368 0 40 FEAB COc1cccc(OCCNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 40070931 WESUNHXFJZHYFY-AWEZNQCLSA-N 372.396 2.382 0 40 FEAB Cc1noc2ncc(S(=O)(=O)N3CC[C@]4(C3)OCc3ccccc34)cc12 329949698 BWQCWDIDNHCHOM-GOSISDBHSA-N 371.418 2.351 0 40 FEAB COC(=O)CSc1nnc(NC(=O)Cc2ccc(OC)c(C)c2)s1 224742607 RXLUXBYJUWFVQZ-UHFFFAOYSA-N 367.452 2.301 0 40 FEAB Cn1c(C(F)(F)F)nn(CCNC(=O)Nc2ccccc2Cl)c1=O 90590954 LZNQAAQOOZCVPN-UHFFFAOYSA-N 363.727 2.076 0 40 FEAB CCCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC)[C@H]2CC1 96145751 SVJHTJDQRAGQRB-GJZGRUSLSA-N 366.483 2.249 0 40 FEAB O=S(=O)(C1CC1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216483 KACCBLHAKUAEEM-IBGZPJMESA-N 364.511 2.346 0 40 FEAB CC(=O)NCc1nc(Cc2cccc(Cl)c2)nn1C1CCN(C)CC1 95382252 OSEHQXZLGVYXAE-UHFFFAOYSA-N 361.877 2.425 0 40 FEAB CCCCn1cc(CNC(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1 331463675 ISSIMMIXFYRJJD-UHFFFAOYSA-N 363.506 2.392 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)o1 247930020 QKFLNMIMKGDTCB-HNNXBMFYSA-N 357.410 2.468 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)C2CCOCC2)C3)cs1 248041720 PETHGNREEOLZLU-HNNXBMFYSA-N 368.524 2.481 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257331499 XTCRTFSXTUCQKQ-AWEZNQCLSA-N 359.430 2.162 0 40 FEAB Cc1cccc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 257329763 XLLRQRLSDHJMGX-UHFFFAOYSA-N 353.470 2.337 0 40 FEAB CC(C)c1ncc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cn1 257274095 NJNRYRKERYOPLV-BRWVUGGUSA-N 356.426 2.086 0 40 FEAB Cc1cc(C(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)on1 257320833 VYUPOJPDTXHWLR-ZVZYQTTQSA-N 370.409 2.020 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@H]1C 260828033 KGOLNRAYYMUQFP-SNVBAGLBSA-N 365.480 2.439 0 40 FEAB COC[C@@]1(C)CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 661666182 SRGSGQYJDWPTNL-FQEVSTJZSA-N 360.502 2.362 0 40 FEAB Cn1cc([C@@H]2OCC[C@H]2CNCc2ccccc2N2CCOCC2)cn1 666433581 RSOJIRUERSBXEP-FXAWDEMLSA-N 356.470 2.124 0 40 FEAB CN1C(=O)COC12CCN(C(=O)Cc1csc(C3CCCC3)n1)CC2 1615590714 MCBZRVOHIORCPS-UHFFFAOYSA-N 363.483 2.151 0 40 FEAB O=C(CCN1CCCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 585268881 CGVXVZGQQNORBE-IBGZPJMESA-N 350.434 2.044 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCCn3ccnc3)C2)cc1 585271311 GAKFUURPTWJSHD-FQEVSTJZSA-N 357.454 2.404 0 40 FEAB CSc1nccn1-c1cccc(C(=O)N(C)CC(=O)N2CCCC2)c1 58173244 HPKIITAJFFFGEK-UHFFFAOYSA-N 358.467 2.289 0 40 FEAB COc1cc2oc(=O)c(CC(=O)NCCCN(C)C)c(C)c2cc1Cl 5271210 JNHHHFYWMDGHBG-UHFFFAOYSA-N 366.845 2.374 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643892980 HGHZZQRWHIXSTJ-KRWDZBQOSA-N 356.474 2.189 0 40 FEAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)CC3CCCCC3)C[C@H]1CC2 19021926 FGXGDEPXRCVKMU-MJGOQNOKSA-N 372.513 2.478 0 40 FEAB COc1ccc(-c2csc(NC(=O)c3nccnc3N)n2)cc1OC 21447662 VHJYXKPYHJIPJN-UHFFFAOYSA-N 357.395 2.452 0 40 FEAB CC(C)c1nn(CC(=O)N2CCCCC2)c(=O)c2c1cnn2C(C)(C)C 36665746 PLRZXMZZYDVGLH-UHFFFAOYSA-N 359.474 2.484 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 36722759 MSQKHUYTZGFMMT-QGZVFWFLSA-N 356.422 2.032 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)c1F 244909659 APGMJFONJCZSBR-NSHDSACASA-N 371.372 2.455 0 40 FEAB COc1cc(-c2cnnn2-c2nonc2-n2cccc2)cc(OC)c1OC 96336530 OICXGDWBHXUZKP-UHFFFAOYSA-N 368.353 2.134 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565523122 YXRWXLBHYQGTQT-KRWDZBQOSA-N 366.527 2.469 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)CN1C 1565542004 AASDPZAXWDVUJA-OAHLLOKOSA-N 352.425 2.467 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 13596989 AIQKJISKRJLLIM-LLVKDONJSA-N 355.441 2.084 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cccn2C)CC1 2055732410 IJGWNOYMOMVJOQ-UHFFFAOYSA-N 372.444 2.339 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)cn1 2055819283 JKTGIFQXFOIDPK-UHFFFAOYSA-N 370.497 2.083 0 40 FEAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(F)cc1 100160082 JDJYNLNTKHNGIU-ZJMHZOEWSA-N 354.381 2.207 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(-c3cccs3)[nH]n1)C2 585150162 BAWAZZJWYYPZLO-GFCCVEGCSA-N 368.466 2.282 0 40 FEAB CCCc1sc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1CC 10415398 OIIZOAAVHQBUOD-UHFFFAOYSA-N 358.529 2.417 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc(Cl)c1OC 50447254 FVTUJEZZCZQEMH-LLVKDONJSA-N 366.845 2.488 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCO1 50850487 VLDOTMOCFODYLI-AWEZNQCLSA-N 370.371 2.230 0 40 FEAB O=C(NCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3)C1CC1 45913205 FJZKRHSNCLJNLC-UHFFFAOYSA-N 370.449 2.138 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@@H](CC(=O)NCc1ccccc1)C(=O)O 1686971 MYTZAPGRBSAWPO-SFHVURJKSA-N 354.406 2.195 0 40 FEAB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 1936090 PZQQVHPXRPTPGQ-UHFFFAOYSA-N 366.373 2.027 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)cc1 2697050 QJDAMRRAZHCFBN-UHFFFAOYSA-N 361.467 2.087 0 40 FEAB Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)no1 32781014 MLYWHPXMVPUWCX-UHFFFAOYSA-N 359.407 2.443 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)COc1ccc(C(C)C)cc1 6462586 YMAHQXNAVOPPMQ-UHFFFAOYSA-N 362.459 2.099 0 40 FEAB O=C(O)CS[C@@H](C(=O)N1CCOCC1)c1ccc(Br)cc1 6526863 WOWKFPIFLLLCBS-CYBMUJFWSA-N 374.256 2.167 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247574 GBLCJZWOLAVGMJ-CQSZACIVSA-N 368.389 2.473 0 40 FEAB CCOCCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10369750 CQJFCYMKGBYFFM-UHFFFAOYSA-N 370.515 2.293 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)cn2C)cc1 22003205 QPXFDKICGOUCSA-UHFFFAOYSA-N 363.801 2.176 0 40 FEAB NC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 12105439 MHBWOKSXUFWEPE-UHFFFAOYSA-N 367.434 2.145 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cnnn2)ccc1Cl 12389620 RETPJLSFBWXECR-UHFFFAOYSA-N 357.757 2.339 0 40 FEAB Cn1c(=O)c2c(nc(S)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 100622504 CHGLDUITPMLMNN-UHFFFAOYSA-N 371.249 2.078 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCO4)cnc12 12454218 HUCGDTQUTCQQHT-UHFFFAOYSA-N 351.362 2.462 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 61721495 ZVMXHHWNFKCUDP-UHFFFAOYSA-N 354.410 2.109 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(Cc2ccccc2F)CC1 23731162 ULXVPPVNWDWULF-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 24032398 HNEVDVUADZMQRQ-UGSOOPFHSA-N 355.394 2.085 0 40 FEAB COC(=O)c1cccc(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 24512109 BDZUCFYFTRZUSU-UHFFFAOYSA-N 374.462 2.286 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(F)cc2)c(OC)c1OC 56105268 SGPHXQOOHVRTET-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB CCSc1nnc(NC(=O)Cc2csc(N3CCCC3=O)n2)s1 12687766 HNXIBIIPOGGZPS-UHFFFAOYSA-N 369.497 2.415 0 40 FEAB CCCCNC(=O)N1CC2(C)CN(C(=O)NCCCC)CC(C)(C1)C2=O 2090868 PEFBDVDSFQVXCS-UHFFFAOYSA-N 366.506 2.219 0 40 FEAB biogenic CCCCn1c(N)c(N(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O 10043917 PIFYGIMFQFSBIX-UHFFFAOYSA-N 354.813 2.348 0 40 FEAB Cn1c(NC(=O)c2ccc(-n3cnnn3)cc2)nc2cc(Cl)ccc21 58208805 PXXFJFLZPDPJAK-UHFFFAOYSA-N 353.773 2.455 0 40 FEAB CC(C)CCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58324270 CTSFBKJASMGLRK-SJORKVTESA-N 355.438 2.423 0 40 FEAB Cc1ccnc2nc(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)nn12 45248766 SAKBGVALRPVLMU-KRWDZBQOSA-N 358.405 2.480 0 40 FEAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1cccs1 10709584 WLDYVYWRRKXOPJ-UHFFFAOYSA-N 353.473 2.260 0 40 FEAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cn(-c2ccccc2)nn1 48272232 RLJZCVWOSRTTPT-UHFFFAOYSA-N 363.421 2.481 0 40 FEAB COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1 39406615 YLXFKXYWTUXQLN-KRWDZBQOSA-N 356.422 2.280 0 40 FEAB CN1C(=O)N(CC(=O)N[C@H]2CCOc3ccccc32)C(=O)C12CCCCC2 39975958 JVSKPUGVAIKIHY-HNNXBMFYSA-N 371.437 2.223 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1 6537768 QASDXAKUCYDATQ-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc(OC)c1 4852195 DZXZEWSWFFHYCJ-UHFFFAOYSA-N 353.382 2.178 0 40 FEAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15197565 FPEUVNFOLHXIOR-CYBMUJFWSA-N 363.435 2.355 0 40 FEAB Cc1cc2nc(SCC(=O)N3CCCC3)n(Cc3ccco3)c(=O)c2[nH]1 67236219 WRJUGAIZSRKFRS-UHFFFAOYSA-N 372.450 2.389 0 40 FEAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 7248484 QVIIBTUXCIADBV-MRXNPFEDSA-N 371.524 2.009 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1F 7675944 NOFURLGJUMCJAB-UHFFFAOYSA-N 355.325 2.166 0 40 FEAB O=C([C@@H]1CN(CCOCc2ccccc2)Cc2cncn21)N1CCCCO1 306140760 VDIGYBRQLBYZEJ-IBGZPJMESA-N 370.453 2.011 0 40 FEAB O=C1C[C@H](N(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C2CC2)C(=O)N1 95957769 OZPFIJZSJDLNBF-KRWDZBQOSA-N 351.406 2.066 0 40 FEAB O=C1N[C@H](CC(=O)N2CC[C@@H](c3ccccc3)C2)C(=O)Nc2ccccc21 85876373 MBBBRDXSKRRGFX-CRAIPNDOSA-N 363.417 2.143 0 40 FEAB biogenic CC(C)(C)OC(=O)N1CC[C@H](NC(=O)OCc2ccccc2)[C@@H](O)C1 118693928 GANFVPYUFFNOKQ-GJZGRUSLSA-N 350.415 2.283 0 40 FEAB CC1(C)OC[C@@H]2C[C@]21NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 529779203 AMRWZUXRSMXMDO-YWZLYKJASA-N 355.438 2.087 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CC(c4ccccc4F)=NO3)ccc21 36752629 HJVANZGSCAAGKV-QGZVFWFLSA-N 368.368 2.148 0 40 FEAB Cn1ncc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)c1Cl 71195667 WSIMSMUZUVYRNI-CYBMUJFWSA-N 356.817 2.462 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C2(CN)CN)cc1 218390390 IEWOSWZVKGMLJN-SJORKVTESA-N 364.898 2.492 0 40 FEAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCNC5)ncc4C3)ccc2O1 72390935 YLYWPCUOPDLYTL-DZGCQCFKSA-N 364.449 2.075 0 40 FEAB COc1ccc2nnc(CCCC(=O)NCc3ccc(Cl)cc3)n2n1 72400745 KONOXJYVACPNHO-UHFFFAOYSA-N 359.817 2.425 0 40 FEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 225876693 DMRISGXZYKUOEB-QMMMGPOBSA-N 357.432 2.453 0 40 FEAB CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 572507215 HHMYPMRWIPLEQQ-VIFPVBQESA-N 365.373 2.239 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCc2cnn(CC(F)(F)F)c2)c1 573299711 CFSGKZVGYHTEAH-UHFFFAOYSA-N 361.345 2.127 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3ncnc(C4CC4)c3CC2)cc1 96255145 JNGMEXLHURLHLU-UHFFFAOYSA-N 359.451 2.152 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)c(C)c1 96097705 ICHAZLCFCWMQAP-MRXNPFEDSA-N 372.512 2.144 0 40 FEAB O=C(C[C@H]1CN(Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 247876895 UFFPGMXLTMZJBU-KRWDZBQOSA-N 374.510 2.434 0 40 FEAB COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)ncn1 538302965 SBRHEIDOMBMIKO-JKSUJKDBSA-N 356.401 2.077 0 40 FEAB Cn1cncc1CN1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 257273352 NGENTEKJRDMXTJ-KRWDZBQOSA-N 363.425 2.195 0 40 FEAB CCn1nc(C)c(CN2CCC[C@H]2c2nccc(CNC(C)=O)n2)c1C 257250455 JMOVQECMGFHQDZ-SFHVURJKSA-N 356.474 2.283 0 40 FEAB CNc1ccc(C(F)(F)F)cc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 633894390 ASJWUXKSRSCMNX-VIFPVBQESA-N 350.362 2.006 0 40 FEAB CCc1ccc(CN2CCN(C(=O)c3c[nH]nc3[C@@H]3CCNC3)CC2)s1 662467476 BTAXWLUQKIEUTA-CQSZACIVSA-N 373.526 2.069 0 40 FEAB CC[C@H](COCC(F)(F)F)NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 1190622811 WGIUZGQUYXKFFP-NEPJUHHUSA-N 359.410 2.223 0 40 FEAB Cc1nc(CN2CCC(COc3ncc(Br)cn3)CC2)no1 1775995826 KOXKVTBAPSNPSE-UHFFFAOYSA-N 368.235 2.222 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585273704 XQJLVYPQMURDPM-IBGZPJMESA-N 355.369 2.358 0 40 FEAB Cc1cccc(C[C@]2(CO)CN(C(=O)CCc3cccnc3)CCO2)c1 585278083 QHDRKXHCYRNKIX-OAQYLSRUSA-N 354.450 2.155 0 40 FEAB Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2ncccc2F)n[nH]1 585097064 HBJXEOKEBUKKIW-MRXNPFEDSA-N 356.405 2.302 0 40 FEAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Oc2cccc(F)c2)cn1 577593747 JMRKHMGTOCGNJL-CYBMUJFWSA-N 364.398 2.320 0 40 FEAB COc1ccc([C@H](CNc2nc(N)nc(Cl)c2N)N(C)C)cc1OC 1639151242 YUPAYZWBLCDAPR-JTQLQIEISA-N 366.853 2.026 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCc3nc(-c4ccsc4)no3)nc2n1 12814135 HKQTWIMTRRDPFS-UHFFFAOYSA-N 356.367 2.210 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NC1CCCCC1 12879965 YGRVMYJUNVYVTF-UHFFFAOYSA-N 360.439 2.075 0 40 FEAB CN(c1ccc(OCC(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 13584647 KOMKGBARLGAKOQ-UHFFFAOYSA-N 360.435 2.169 0 40 FEAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccc(Cl)c(Cl)c1 13636912 UCZXXVUBFFVERX-UWVGGRQHSA-N 363.222 2.007 0 40 FEAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cnc3ccccc3n1)C2 19291428 RAEJCDMNWGVABG-GWTOYCKXSA-N 363.465 2.483 0 40 FEAB CCc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1C 19521588 QLBNEQOAELJNDD-MRXNPFEDSA-N 370.453 2.177 0 40 FEAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CCCN(c2ccccn2)CC1 19583285 UPLATAWRDUIDHU-UHFFFAOYSA-N 363.487 2.068 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)CC2 19710777 UVYVPNQWYSYTIS-CQSZACIVSA-N 372.473 2.163 0 40 FEAB CN1CCN([C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)O)CC1 22585012 XSXDLSUUIBLWRW-CYBMUJFWSA-N 360.241 2.023 0 40 FEAB Cc1nc(C2CC2)nc(N2CCN(c3ccn4nccc4n3)CC2)c1F 1888897246 ZHWCKEMLFBPJPQ-UHFFFAOYSA-N 353.405 2.171 0 40 FEAB Cn1nccc1C(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888897384 XPHPCBIRMISXDH-IAGOWNOFSA-N 374.448 2.086 0 40 FEAB CC(C)(C)c1cn2nc(C(=O)NCc3csc4ncnn34)ccc2n1 1888982180 DVIKQEGGJNQYLR-UHFFFAOYSA-N 355.427 2.061 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)CCCc2sccc21 1889128288 VHPDSNSSQZNNFV-IBGZPJMESA-N 362.495 2.395 0 40 FEAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1 15306651 JITNPYFWNNRYBK-JTQLQIEISA-N 369.343 2.272 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1 30661365 PWMRKDHOTFBEDP-UHFFFAOYSA-N 355.419 2.241 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)c(OC)c1 1565553833 KYNLFMICIWUQLB-HNNXBMFYSA-N 362.470 2.419 0 40 FEAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1 1565556240 QKPGGJJKDJLDNF-AZUAARDMSA-N 353.422 2.492 0 40 FEAB Cc1c(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc2ccccn12 1565556513 LSYYKNGZHXXSRG-ZWKOTPCHSA-N 361.449 2.384 0 40 FEAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccco1 4653790 YKMOXNDVNARZFW-AWEZNQCLSA-N 359.304 2.153 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055747850 YDJINVQIUZOPNI-ZFRRBFPSSA-N 355.463 2.268 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2ccccn2)CC1 43941370 VCDOTKJNEZTSDY-UHFFFAOYSA-N 370.497 2.421 0 40 FEAB CC(C)COC(=O)CC(O)(CC(=O)OCC(C)C)C(=O)OCC(C)C 5759316 AGBVGLJAIGBYAD-UHFFFAOYSA-N 360.447 2.095 0 40 FEAB CCN(CC)[C@@H](CNC(=O)Cn1ccccc1=O)c1cccc(OC)c1 45827561 PURPQKZYWVHIGY-SFHVURJKSA-N 357.454 2.056 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1 7737449 XCSUVPUMSMRCKF-UHFFFAOYSA-N 362.227 2.280 0 40 FEAB Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1 812573 NNWCFVBOMNJREB-UHFFFAOYSA-N 363.420 2.291 0 40 FEAB COc1cccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1 3008400 JCCBXMVLDXGOAA-UHFFFAOYSA-N 363.439 2.327 0 40 FEAB COC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)cc(C(=O)OC)c1 3611668 WCWDMDBUJXWWDL-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CCCN(C(=O)c2ccco2)C1 21136222 KOGUXISIRRAUJW-OAHLLOKOSA-N 366.421 2.138 0 40 FEAB COC(=O)c1ccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 4194903 LOHFZFTVLICTSQ-MRXNPFEDSA-N 365.470 2.227 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)ccc2N1 32778245 WXJBZQPCNWTPHD-CYBMUJFWSA-N 372.446 2.101 0 40 FEAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 7960222 ANUUEZYBRDGHQO-OAHLLOKOSA-N 360.435 2.314 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 32841812 DLCHFXXOLTYCPC-CRAIPNDOSA-N 362.433 2.444 0 40 FEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1onc2c1CCCC2 8976635 VFDYDJGWACHWTN-UHFFFAOYSA-N 352.387 2.495 0 40 FEAB CS(=O)(=O)CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 52610005 FLKGLGAMSFAWFU-CYBMUJFWSA-N 365.282 2.441 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(F)cc2)cc1 55750318 CENJWXYHMIIMRQ-UHFFFAOYSA-N 350.415 2.329 0 40 FEAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)s1 24193474 FSADNMYKKWRWNR-UHFFFAOYSA-N 374.418 2.300 0 40 FEAB Cc1cccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 111176672 OIBTYGPQFPSQLL-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB O=C(c1cc(F)ccc1Br)N1CCN(C(=O)C2CC2)CC1 25167629 GJKRTOMSTXMCFL-UHFFFAOYSA-N 355.207 2.283 0 40 FEAB NC(=O)CCN(C(=O)CN1CCCc2ccccc21)c1ccc(F)cc1 12542681 TZNTYKWPIGNTKE-UHFFFAOYSA-N 355.413 2.487 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccccc1F 12549639 MSZCWWXEVPPJAY-UHFFFAOYSA-N 364.442 2.483 0 40 FEAB CCCCNC(=O)NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 57352187 ZMSDXIMDRKVRDY-AWEZNQCLSA-N 353.488 2.355 0 40 FEAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c1 57490151 UCSMKZKOUIUVHH-UHFFFAOYSA-N 357.435 2.047 0 40 FEAB Nc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)ccc1Cl 3272312 MADPQCUFYCCZMN-UHFFFAOYSA-N 362.769 2.124 0 40 FEAB COc1ccc(CCN2CCN([C@H](C)C(=O)Nc3nccs3)CC2)cc1 58184785 MJYBBKFAMNCQFY-OAHLLOKOSA-N 374.510 2.339 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306128811 HLBFWRIASAYZDC-CQSZACIVSA-N 358.369 2.236 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 58215649 ZBGNKOXZDBBAHZ-WOJBJXKFSA-N 357.498 2.416 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)nn12 12698940 UFCYOORGXFBOSA-UHFFFAOYSA-N 364.409 2.357 0 40 FEAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3sccc23)CC1 3326073 BQVDJEOYDDRFHV-UHFFFAOYSA-N 366.468 2.084 0 40 FEAB COc1ccccc1OCC(=O)OCc1cc(=O)n2c(C)csc2n1 10590491 WPQDJJITKGIQAS-UHFFFAOYSA-N 360.391 2.195 0 40 FEAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 58647946 SGIPFOSYGOPOSL-KRWDZBQOSA-N 368.433 2.302 0 40 FEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](C(F)(F)F)C1 12785492 ONOJLFUMCJCEDO-VHSXEESVSA-N 356.348 2.458 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 3407009 CXZDSXYZCSKWRT-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB CCCC[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(C(C)=O)cc2)C1=O 12984999 HKKGXTJEBVIBOF-HNAYVOBHSA-N 362.426 2.130 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](Sc3nnnn3-c3ccccc3)C2=O)cc1 5016436 MAZCLCDZIBFVMQ-HNNXBMFYSA-N 365.418 2.395 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NCc1ccccc1)O2 64988431 UUGSMBQYLHPHEX-GOSISDBHSA-N 374.462 2.229 0 40 FEAB Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2c(C)c(O)ccc12 5206721 LPCRBYVWCUPQNW-UHFFFAOYSA-N 355.394 2.061 0 40 FEAB CCn1nc(C(=O)Nc2ccccc2C(=O)OC)c2ccccc2c1=O 14018631 QIYZQDDNPUIBCA-UHFFFAOYSA-N 351.362 2.455 0 40 FEAB CN(C)c1nc(N)nc(CN2CCC(c3nc4ccccc4o3)CC2)n1 14184316 SCBUCOJFHFBMIR-UHFFFAOYSA-N 353.430 2.041 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1Br 14199356 DHYJLIPCAXBFMM-AOOOYVTPSA-N 364.261 2.256 0 40 FEAB COc1ccc(N2C(=O)C(=O)N(CN3CCc4sccc4C3)C2=O)cc1 14138229 MGXCALZRTCHTQG-UHFFFAOYSA-N 371.418 2.068 0 40 FEAB O=C(CSc1nnc(-c2ccc[nH]2)o1)NCc1ccc2c(c1)OCO2 14167020 ZJEWRAAHVVISJL-UHFFFAOYSA-N 358.379 2.202 0 40 FEAB CCN(CCCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 8704194 LMVGGYXOJZNPFY-UHFFFAOYSA-N 364.449 2.429 0 40 FEAB Cc1coc2cc3oc(=O)c(CCC(=O)N4CCNC(=O)C4)c(C)c3cc12 8765369 YAWXSIZBFXVYIS-UHFFFAOYSA-N 368.389 2.047 0 40 FEAB biogenic COc1cc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC 7224174 ATRQHIWNHNFBRW-NSHDSACASA-N 373.409 2.250 0 40 FEAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1N 9752028 GWNIBJNZWXQLON-QMMMGPOBSA-N 361.320 2.067 0 40 FEAB COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc1F 75590453 RZWYXMJNSXLLGB-HNNXBMFYSA-N 356.397 2.458 0 40 FEAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(c2ncccn2)CC1 96983415 CYPNVANFRGYBHF-OAHLLOKOSA-N 362.437 2.174 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CCn3nnc4ccccc4c3=O)sc2C1 9335938 QYPLGWAEYCPBJS-NSHDSACASA-N 369.450 2.402 0 40 FEAB CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 72268816 WPVPUTVHCHLJRL-MRXNPFEDSA-N 354.516 2.061 0 40 FEAB COC[C@](C)(O)CNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 72304503 WJEYTRFQXGDWQE-GOSISDBHSA-N 372.450 2.123 0 40 FEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H](O)C(=O)OC(C)(C)C)c1 95456548 FZCDXJYZJLRIJY-WCQYABFASA-N 357.834 2.235 0 40 FEAB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 35648779 VKXXWWBXFLZZEO-ALFJJAPYSA-N 351.449 2.457 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 409386417 FHOIJHWXDXGQRV-UHFFFAOYSA-N 374.462 2.478 0 40 FEAB Cc1cc(C)cc(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306135046 OFVJCIBJKSYYDR-ZWKOTPCHSA-N 367.497 2.337 0 40 FEAB O=C(NCc1cccs1)C1CCN(c2nnnn2-c2ccccc2)CC1 35312886 RUMWKSVHDHFABI-UHFFFAOYSA-N 368.466 2.257 0 40 FEAB O=C(NC[C@H]1OC[C@@H](N(CC2CC2)CC2CC2)[C@@H]1O)Nc1ccccc1 77263628 YHPJWUVQIVSXEO-QRVBRYPASA-N 359.470 2.058 0 40 FEAB biogenic,in-vitro CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CCCO2)cc1OCC 32966670 LEHOXTKWQQOOGJ-OAHLLOKOSA-N 350.415 2.060 0 40 FEAB CC[C@@H](C)[C@@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)n1cnnn1 1565520478 SUQMHHWAOATFQX-OTYXRUKQSA-N 373.442 2.467 0 40 FEAB Cn1cnc2c1CCN(C[C@@](C)(O)c1ccc(Br)cc1)C2 70503647 JSYDYAXSSKCKRJ-MRXNPFEDSA-N 350.260 2.448 0 40 FEAB Cc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(N(C)C)n1 188281426 XFOLWKRSQAVVOS-UHFFFAOYSA-N 374.388 2.348 0 40 FEAB CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2csnc2C(=O)O)C1 567794250 QYCIHCVDIBRYAZ-RKDXNWHRSA-N 350.487 2.136 0 40 FEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 223272241 SRFVIPCVMIWOGT-UHFFFAOYSA-N 361.423 2.429 0 40 FEAB CCN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3csnn3)ccc21 96244773 REECZMXOIKICJQ-UHFFFAOYSA-N 358.423 2.205 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)CN2C(=O)c1cscn1 96090592 YPTLFGDDGLIQEM-IUODEOHRSA-N 361.854 2.322 0 40 FEAB CN(C)c1ccc(N2CCC[C@@]3(CN(Cc4ccncc4)CCO3)C2)nc1 96226449 BJZLCKJWCOKKRP-OAQYLSRUSA-N 367.497 2.414 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96208878 MNRDGSWNWKVUQS-QUCCMNQESA-N 353.422 2.457 0 40 FEAB O=C(COc1ccc(F)cc1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 247753757 YATRWNGMPJXUOO-GOSISDBHSA-N 359.401 2.239 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)CN(C(C)=O)[C@](C)(CO)C3)cc1 257308209 TVVVTHKJGSCOOD-FQEVSTJZSA-N 358.482 2.475 0 40 FEAB Cc1ccn2cc(C(=O)N3C[C@@H]4[C@@H](CC[C@H]4Nc4cnccn4)C3)nc2c1 257277543 NYINKCVQRDCISU-ARFHVFGLSA-N 362.437 2.395 0 40 FEAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)n1 257280291 OKIAEHYWSRIZRH-QGZVFWFLSA-N 353.378 2.049 0 40 FEAB O=C(COc1ccccc1F)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257276823 NVHAOUVDFBZZCU-GPMSIDNRSA-N 350.434 2.089 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)COc3ccccc3F)CCO2)ncn1 257255528 KHVFKQLGZABKIB-MRXNPFEDSA-N 359.401 2.163 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)n1 257204916 AWWDHRNGDZKNEH-MRXNPFEDSA-N 350.422 2.369 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 257260750 LEDYQDGFZFOAGQ-ZDUSSCGKSA-N 354.458 2.215 0 40 FEAB O=C(c1cn2c(n1)COCC2)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 625942296 AOEVWVKQEHGJEE-OCAPTIKFSA-N 357.254 2.226 0 40 FEAB O=C(O)Cc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 630235397 XBTSFJDNTQPDNR-UHFFFAOYSA-N 352.390 2.371 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)C1 630284132 VTUPITCESNVUKG-FZKCQIBNSA-N 364.486 2.373 0 40 FEAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C12CC3CC(CC(C3)C1)C2 677816307 NBUOGIZDIGAIRK-HDPALTEOSA-N 363.483 2.064 0 40 FEAB CN1c2ccc(NC(=O)Cn3ccc4ccccc43)cc2N(C)S1(=O)=O 390826483 MHADPEFKOJZFHO-UHFFFAOYSA-N 370.434 2.411 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)Cc4ccccc4)CC3)C2)cn1 585105036 ZABFFRJVGUAMJH-UHFFFAOYSA-N 366.465 2.164 0 40 FEAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 585104746 LVRXPLSYJQWIIO-CQSZACIVSA-N 357.447 2.422 0 40 FEAB O=C1CN2CCN(C(=O)Nc3ccccc3)C[C@@H]2COc2ccccc2N1 1772594697 LTQMZHIUCVPVRW-MRXNPFEDSA-N 366.421 2.236 0 40 FEAB CCOC(=O)[C@]12CCCC1=NN=C2C1=NN=C2CCC[C@@]21C(=O)OCC 5567303 VXLVKVZHYLVHQC-QZTJIDSGSA-N 358.398 2.074 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)NCc2ccccc2F)c1=O 12146730 UOIMYIZYWWGHQZ-UHFFFAOYSA-N 358.398 2.010 0 40 FEAB CCCOc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1 12444110 STOXKUXJILVJMW-UHFFFAOYSA-N 374.416 2.132 0 40 FEAB COc1ccccc1CC(=O)N1CC[C@H](c2cc3nc(C)cc(O)n3n2)C1 13225676 MUIFBAGAZKOTBI-HNNXBMFYSA-N 366.421 2.311 0 40 FEAB O=C(CCc1ccccc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13267092 PTILBULYQOPXDE-UHFFFAOYSA-N 361.405 2.157 0 40 FEAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 18132196 VJIHSSAJFZDUIS-QGZVFWFLSA-N 362.451 2.484 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC(O)CC2)C1 19016951 FDJFTGJDCXGSTJ-HNNXBMFYSA-N 356.470 2.246 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2ccncc2)C1 19562044 XZDZRUKAUJYYCV-HXUWFJFHSA-N 351.406 2.051 0 40 FEAB COc1ccc(-c2nc(C(=O)N[C@H](C)CN3CCOCC3)cs2)cc1 19717301 VAKPQNXPEURPTJ-CYBMUJFWSA-N 361.467 2.269 0 40 FEAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@]1(C)C(=O)N1CCOCC1)n2C 19746531 QBQOBSSSSJXZFZ-OAQYLSRUSA-N 369.465 2.340 0 40 FEAB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OC 6355559 LUUGEXNDLSNUPV-JAIQZWGSSA-N 372.377 2.321 0 40 FEAB NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(F)c(F)cc1Br 682610624 NXXIWZOHCVSMLR-DAROEXNTSA-N 373.197 2.453 0 40 FEAB CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccccc2F)CC1 9118553 MDIQFLQKOPMKJZ-UHFFFAOYSA-N 351.422 2.389 0 40 FEAB Cc1nc2ccc(OCC3CCN(C(=O)[C@H]4CCOC4)CC3)nn2c1C 1888853023 REGMRZSJCPFQHJ-INIZCTEOSA-N 358.442 2.000 0 40 FEAB COc1cccc(CN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 1889191805 IZOLFNDGZMHJJO-UHFFFAOYSA-N 364.453 2.302 0 40 FEAB CC(C)Oc1cccc(C(=O)N2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)c1 2055837454 DFPWLGPFFJUTSF-APWZRJJASA-N 356.426 2.312 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H](NC(=O)c4ccncc4)CCO3)C2)o1 2055830487 STTJAMVUAUFNAV-OXJNMPFZSA-N 369.421 2.177 0 40 FEAB O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 29667610 AOLCJGQITMIYER-UHFFFAOYSA-N 370.331 2.200 0 40 FEAB CN([C@@H]1CCCN(c2ccnc(C(C)(C)C)n2)C1)S(=O)(=O)C1CC1 2086889168 JFGSZTIHSNQQAA-CYBMUJFWSA-N 352.504 2.167 0 40 FEAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)o1 206968602 VUXZAYPJBVSGJI-LBPRGKRZSA-N 371.361 2.068 0 40 FEAB O=c1occ(CN2CCOCC2)c(O)c1CN1CC[C@@H](c2ccccc2)C1 79482279 SIZJQKWBRTWAAN-QGZVFWFLSA-N 370.449 2.167 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2NC1=O 69491495 SHQWCLLUYIQPIV-UKRRQHHQSA-N 358.442 2.498 0 40 FEAB O=C(CSc1nnnn1C1CC1)NCc1ccccc1OC(F)(F)F 29528778 NRVHIOSJVSQWAG-UHFFFAOYSA-N 373.360 2.315 0 40 FEAB COCCCNC(=O)c1nc(-c2ccc(Cn3nc(C)cc3C)cc2)no1 32103605 DETVNNUVPIJUDM-UHFFFAOYSA-N 369.425 2.365 0 40 FEAB CCc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 6807341 PERQVSGCOZXWKW-CHWSQXEVSA-N 356.426 2.500 0 40 FEAB Cc1ccc(CN(C)C(=O)CSc2nnc(C(F)(F)F)n2N)c(C)c1 7779485 VKYZDQDMFFZLHT-UHFFFAOYSA-N 373.404 2.378 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc12 32899690 ZDPZGSUFKMIYML-UHFFFAOYSA-N 355.373 2.127 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1Cl 8076829 VWBWICIATMUIGU-NSHDSACASA-N 370.833 2.462 0 40 FEAB COCCC(=O)N1Cc2nc3c(C)c(-c4cccs4)nn3c(O)c2C1 100215477 UDXGTAAMIZKCMO-UHFFFAOYSA-N 358.423 2.351 0 40 FEAB CCN(CC)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 102772825 WETQMQHLUVWWKI-LSDHHAIUSA-N 353.513 2.495 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1 41428836 DSPYHKAGZMXHBG-UHFFFAOYSA-N 371.412 2.401 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCc2c1cnn2C 47490294 ZZBXUVMLMSXZGA-XHDPSFHLSA-N 360.845 2.386 0 40 FEAB O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(-c2ccccc2)cc1 89851176 ODMGKMYTIQVYQB-IBGZPJMESA-N 372.490 2.495 0 40 FEAB COc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)n1 104346578 BZWOHAQANBTATB-QGZVFWFLSA-N 353.422 2.401 0 40 FEAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)ccc21 23019863 SEIPRYXSZJRDBU-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB CC(=O)N1CCN(c2c(Cl)cccc2[C@H]2C[C@@H](C(=O)O)CC2=O)CC1 57328072 OGIBCCFIJGKECM-TZMCWYRMSA-N 364.829 2.156 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 23746064 SLVVAAPKIGVZAS-UHFFFAOYSA-N 360.797 2.390 0 40 FEAB COc1ccc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c(OC)c1 100775079 JZNLJTRLXNGHAG-UHFFFAOYSA-N 368.437 2.361 0 40 FEAB CCN(CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1)c1ccccc1 54656876 FOWNTTRRHRTLOL-UHFFFAOYSA-N 352.438 2.088 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)COCc1nc2ccccc2c(=O)[nH]1 24775576 LLOWOORXAOKGEQ-CYBMUJFWSA-N 355.394 2.170 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 12553215 HHWYIMBIDFGGNR-OAHLLOKOSA-N 359.449 2.325 0 40 FEAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(S(C)(=O)=O)CC1 52798597 VETOYEJEBJSFIF-LLVKDONJSA-N 370.862 2.028 0 40 FEAB C[C@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1cccs1 12506577 SPUNQQOSZUOBLQ-NSHDSACASA-N 363.464 2.379 0 40 FEAB Cc1nccn1C[C@@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21 47938435 SFMAUESEMXDBJE-AWEZNQCLSA-N 356.426 2.332 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CCN(Cc1ccncc1)C2=O 108527042 MCFJMIFTRJISPY-FQEVSTJZSA-N 353.470 2.220 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc3c2OCCO3)sc1C(=O)O 55685523 WDQRZVZPWDGKIV-UHFFFAOYSA-N 355.393 2.327 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 10274231 CDXONDYCGVBCRE-UHFFFAOYSA-N 372.402 2.424 0 40 FEAB CCOc1ccccc1NC(=O)c1ccccc1CN1C(=O)CNC1=O 10642397 UCIJYGVWLXLHAL-UHFFFAOYSA-N 353.378 2.389 0 40 FEAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2C)CC1 35973898 WILIRAPELQTCFU-LJQANCHMSA-N 366.465 2.314 0 40 FEAB COc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(OC)c1 58132965 YTNUCNSOVGCYQC-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)C1 58406271 DPDWXUCQOGBXQB-OAHLLOKOSA-N 360.454 2.110 0 40 FEAB Cc1csc([C@](O)(CC(=O)N2C[C@H](C)O[C@H](C)C2)C(F)(F)F)n1 58413814 PIEWQOBYERQTLG-GBIKHYSHSA-N 352.378 2.227 0 40 FEAB CCOc1ccccc1OCC(=O)Nc1ccc(NS(C)(=O)=O)cc1 10549470 GLCNSWUOKKUQBA-UHFFFAOYSA-N 364.423 2.474 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)NCCCn3ccnc3)CCC2=O)c1 45161981 SHGOKPNERRNIBV-UHFFFAOYSA-N 353.426 2.189 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)N[C@H]1CCc2ccccc21 45596144 VKPAXDYORGEFIZ-SFHVURJKSA-N 352.438 2.405 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCCC2)c1 22230034 MQNMLRHNVUDQLC-INIZCTEOSA-N 366.483 2.169 0 40 FEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)C4CC4)CC3)c12 12876926 PFTOKAYUXYBVRJ-UHFFFAOYSA-N 369.469 2.095 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460511 KXRINOKKHOIEQI-LJQANCHMSA-N 353.378 2.101 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 13323751 YUOCDWKMGMWAJN-UHFFFAOYSA-N 352.243 2.103 0 40 FEAB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1ncnc2nc[nH]c12 14196812 LMVTYYUDDUHQPE-SECBINFHSA-N 351.322 2.283 0 40 FEAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(F)cc1 14183921 UBETWRPRPOHQDI-UHFFFAOYSA-N 358.369 2.316 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 5483292 WLEUZSQIKNFFNO-QGZVFWFLSA-N 364.409 2.055 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 6552372 JNNCWJMXIFIUSX-HXUWFJFHSA-N 369.396 2.299 0 40 FEAB COc1cccc(CC(=O)N2CCN(C(=O)c3sc(C)nc3C)CC2)c1 66030655 ATPWLFGOSWQSJE-UHFFFAOYSA-N 373.478 2.296 0 40 FEAB O=C(O)c1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1 6862990 VOJFLMFIAPWVIZ-GXDHUFHOSA-N 374.418 2.434 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](COc4ncccc4F)CCN3C)C2)no1 306131131 JXJUIJDKTRHZKX-CQSZACIVSA-N 374.416 2.133 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1ccco1 9217576 JRULBTSIRRPQNT-UHFFFAOYSA-N 363.222 2.181 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 16199833 CYMJACZALWSMBA-UHFFFAOYSA-N 354.378 2.309 0 40 FEAB Cc1occc1C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7986864 AATLMOXNMBJAMJ-RIYZIHGNSA-N 360.435 2.347 0 40 FEAB O=C(Nc1cccnc1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71288325 KQLVIVQMCVBGTI-UHFFFAOYSA-N 363.333 2.074 0 40 FEAB O=C(Nc1nccs1)c1ccccc1NC(=O)c1nccnc1C(=O)O 71284827 FQFWPJOUWDHTPA-UHFFFAOYSA-N 369.362 2.136 0 40 FEAB Cc1cc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n2ncnc2n1 96002411 ZZIHWRQHYUPYET-CQSZACIVSA-N 364.388 2.257 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306132338 LFYVTSVSBQIVIO-INIZCTEOSA-N 354.406 2.487 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)nn(C)c2C)c1C 9836495 UMHGAKIZSUKGEF-UHFFFAOYSA-N 361.398 2.198 0 40 FEAB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2c(N3CCCC3)ncnc21 95397136 YVDHHVRWTRYOTF-INIZCTEOSA-N 367.453 2.483 0 40 FEAB CCN(CC)CCN(C(=O)Nc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 95951622 HLCSZVGNDHEDLR-QGZVFWFLSA-N 367.515 2.358 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1C 22247298 LFZLZCRIFAAXHU-MRXNPFEDSA-N 363.435 2.368 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]([C@H](C)O)C2)nnn1-c1cccc2ncccc12 89556332 GSXWWRZIYCTKLK-GJZGRUSLSA-N 365.437 2.357 0 40 FEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCCCC1 22252870 KCCNIZBNYCYITM-UHFFFAOYSA-N 370.471 2.116 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217530167 SEOSSTRBBVBOBF-LLVKDONJSA-N 356.444 2.053 0 40 FEAB COc1ccc(C)cc1CCNC(=O)N1CCC[C@@H]1CN1CCOCC1 73537332 LSGAEUXTGAEZKB-GOSISDBHSA-N 361.486 2.052 0 40 FEAB COc1ccc(CCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 30756440 IOLRLEZDFGMDPG-UHFFFAOYSA-N 354.450 2.500 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1F 30320954 AEMNIERSXXHPKW-UHFFFAOYSA-N 353.371 2.084 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCC2)cc1 39986085 VVLZVFVZHDPFTJ-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217430141 AOCVBGXVXLLLMI-AAEUAGOBSA-N 356.444 2.053 0 40 FEAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOC[C@H](C3CCC3)C2)c1 562626432 YXIJFQMTDYHLOU-MRXNPFEDSA-N 366.483 2.391 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCC(C)(C)C 226075708 GCPYTFOEFJBVGG-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB O=c1c2ccncc2ncn1C[C@H]1CN(Cc2ccccc2)CCCO1 571809787 ANRFDDFDUNGBLP-QGZVFWFLSA-N 350.422 2.083 0 40 FEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)C)s2)c1 225559720 UQODISVWJUDRRP-UHFFFAOYSA-N 354.457 2.176 0 40 FEAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)c2)n1 40106994 SOZMLMRPCJLYOF-UHFFFAOYSA-N 370.434 2.389 0 40 FEAB O=C1[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2OCCN1c1cccnc1 96107134 MJBACVLZJKNPRW-MOPGFXCFSA-N 355.413 2.475 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96240842 ZMTSRPUTPPHYKX-INIZCTEOSA-N 362.495 2.072 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)c1cc2ccccc2s1 1589091560 DFTDUZTYSWSJLA-AAEUAGOBSA-N 360.435 2.402 0 40 FEAB CC(C)CN1CCC2(CC1)O[C@@H](C(=O)N1CCCCC1)Cn1ccnc12 96263112 MGQRUUQDNNXPOW-QGZVFWFLSA-N 360.502 2.242 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227734 MBYJTEJDEUMJOF-ZBFHGGJFSA-N 356.513 2.062 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCOC1)c1ccccc1O2 96242686 SAPQKXYXFQKSKX-DOTOQJQBSA-N 358.438 2.044 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96209006 KRRVAEIWGIYNMM-KRWDZBQOSA-N 355.438 2.401 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257265158 LXNPWWJZWSAQCF-OAHLLOKOSA-N 359.401 2.247 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 257310271 UELADKSNQGZHPC-HNNXBMFYSA-N 350.426 2.394 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1Cl 257335796 YLXPMLRWNKNUEQ-PBHICJAKSA-N 350.846 2.402 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 257233198 GOFMKAJWYRSORI-ZDUSSCGKSA-N 356.430 2.141 0 40 FEAB Cc1cnccc1OC1CCN(c2nccc(N[C@H]3CCCOC3)n2)CC1 372945722 MIDWGQXOMKOQNE-INIZCTEOSA-N 369.469 2.819 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCc2ncncc2C1 648230520 JYEKVCMSIUCVNM-HNNXBMFYSA-N 350.422 2.456 0 40 FEAB O=C([C@H]1CC12CCN(c1cc(-n3ccnc3)ncn1)CC2)N1CCCCC1 678411018 VXPFNFHPBHGGGB-MRXNPFEDSA-N 366.469 2.281 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)CSc3ccncc3)C2)c1F 390827893 LRWDCHMVCBGZDE-GFCCVEGCSA-N 362.430 2.345 0 40 FEAB C[C@@H](NCC1(N2CCOCC2)CCN(C)CC1)c1ccc(C(F)F)nc1 658035549 SYDJJXYITAVZRV-OAHLLOKOSA-N 368.472 2.466 0 40 FEAB COc1ccc2c(c1)OC[C@H](NC(=O)c1cccnc1N1CCCC1)C2 678097153 AJOCRIFDDSXKDV-OAHLLOKOSA-N 353.422 2.424 0 40 FEAB CC(C)[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H]1CCS(=O)(=O)C1 42902023 SDJROKQPLNVUCG-FZMZJTMJSA-N 368.480 2.248 0 40 FEAB CN1N=C(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)CCC1=O 56132327 VVPZVUFQGIAFNV-MRXNPFEDSA-N 353.426 2.235 0 40 FEAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc3nccnc3c2)CC1 96374583 RLVIFTWBUDEFMI-UHFFFAOYSA-N 361.467 2.305 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)N(C)C1=S 8091447 GVAMEYLTUOXACF-XFFZJAGNSA-N 369.240 2.022 0 40 FEAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 5365464 NMRANNPZNLKZGJ-UHFFFAOYSA-N 373.409 2.053 0 40 FEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1=COCCO1 12999742 JQCWPDUXGVTSIE-UHFFFAOYSA-N 358.316 2.169 0 40 FEAB CC(C)c1cccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 15814342 QMDAHIINOVKYED-UHFFFAOYSA-N 357.435 2.487 0 40 FEAB O=C(CCn1ccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 19403441 VYHCVOCHLMKIEJ-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1 19532927 AQCHYOPVJBBHQA-INIZCTEOSA-N 351.410 2.429 0 40 FEAB COc1ccccc1C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19576447 JIYJELKHNZCWPJ-UTKZUKDTSA-N 364.401 2.152 0 40 FEAB CC(=O)N[C@H]1CN(C(=O)c2oc3c(F)cccc3c2C)C2(CCNCC2)C1 19703534 CNFGXMIUAHUYCL-CQSZACIVSA-N 373.428 2.353 0 40 FEAB Cc1nc2c(c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)n1)CCC2 1889090944 RNRBKOCXOOHXQF-UHFFFAOYSA-N 364.375 2.409 0 40 FEAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 31500567 GUESOTLILDPYKH-MRXNPFEDSA-N 352.394 2.480 0 40 FEAB Cc1nc2ccccc2n1C1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 1776008697 MTEYXULJQPAMMW-OAHLLOKOSA-N 352.360 2.365 0 40 FEAB Cc1noc(C)c1C(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238864014 LIMZNMYFGFDOAN-UHFFFAOYSA-N 352.398 2.252 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C 4373235 UQYOQSJIPTZGHX-MRXNPFEDSA-N 366.421 2.329 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C 4505409 IDZHCWDEQAYDJV-OAHLLOKOSA-N 359.513 2.137 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)s1 9366931 GSLVVAGHLXNUEE-UHFFFAOYSA-N 372.501 2.413 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C(C)(C)C)C1 2055751276 DMCGNKSQCFEUEV-FQEVSTJZSA-N 361.486 2.268 0 40 FEAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22458782 IXCNBQPSPJNLEH-HNNXBMFYSA-N 357.483 2.450 0 40 FEAB O=C(c1cccc(F)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968281 WWYMHXHPAJNCSO-UHFFFAOYSA-N 355.413 2.424 0 40 FEAB Cc1ccccc1CC(=O)N1CCCN(c2ccc3nnc(C)n3n2)CC1 1775967507 UUWVZLSGXCQYNZ-UHFFFAOYSA-N 364.453 2.023 0 40 FEAB Cn1cc(CC(=O)N2CCC(N3C(=O)CSC3=O)CC2)c2ccccc21 206982204 ZDEQBRIWKKDDEI-UHFFFAOYSA-N 371.462 2.407 0 40 FEAB CCN1CCN(C(=O)N[C@@H](c2ccsc2)c2cccs2)C(=O)C1=O 618256276 PZUBNGRKXNFVJH-ZDUSSCGKSA-N 363.464 2.299 0 40 FEAB Cc1ccc([C@@H](CNS(=O)(=O)Cc2ccccc2)N2CCOCC2)o1 40017359 GEWIUFINNCKSFJ-QGZVFWFLSA-N 364.467 2.081 0 40 FEAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 40108109 COIMQFLRASHUKO-SJORKVTESA-N 371.481 2.050 0 40 FEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 92529709 WUTCHOBOAPQUAT-KHMAMNHCSA-N 360.520 2.043 0 40 FEAB COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccco3)C2)cc1 21323793 DPXCQHDJUMGKIN-GOSISDBHSA-N 369.421 2.298 0 40 FEAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCS(=O)(=O)C1 32854820 KGDIFCOAPTUCDU-GFCCVEGCSA-N 351.424 2.491 0 40 FEAB CC(C)OCCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 6307106 XTFONERWELQSGC-UHFFFAOYSA-N 362.879 2.037 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCCC1=CCCCC1 6563857 OJOUMTZTXDYLLB-MRXNPFEDSA-N 352.475 2.477 0 40 FEAB CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1CCOC 6948818 LVQUCPHWNUBLTG-UHFFFAOYSA-N 362.499 2.476 0 40 FEAB Cc1cccc(OCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 8157125 GDZOISCQTVNVHL-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB CCCNC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1 8022633 FLCWSYWKBKCKMD-ZDUSSCGKSA-N 353.469 2.367 0 40 FEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCC(C)CC2)N[C@H]1c1ccc(F)cc1 8559809 CGAHEZWJOBJDIX-CVEARBPZSA-N 361.417 2.264 0 40 FEAB CCN(C(=O)[C@H](C)Nc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 52774011 VTQSVXADMMNLAE-AAEUAGOBSA-N 374.890 2.185 0 40 FEAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)c1cnn(C)c1)C3 100215359 HEZHOUNVZUAFKR-UHFFFAOYSA-N 374.404 2.300 0 40 FEAB O=C(CNC(=O)Nc1ccccc1)NCc1ccc(N2CCCC2=O)cc1 22186026 BLORJYBGZATDDN-UHFFFAOYSA-N 366.421 2.251 0 40 FEAB CN(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 682151 NYRAKNRMGPCMCG-UHFFFAOYSA-N 373.478 2.045 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1 102082638 TVMZMPNEKFCSHB-HGDXVPPDSA-N 356.809 2.332 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)Cn1cc(C=O)c2ccccc21 51318936 XESULOOTNSAZOV-UHFFFAOYSA-N 351.362 2.200 0 40 FEAB CCCCOCCCNC(=O)Cc1c(C)nc2nc(SC)nn2c1C 22698824 RALCIUXOIJFSJJ-UHFFFAOYSA-N 365.503 2.329 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)n1 23064477 VKSGPHJJWXVUGZ-UHFFFAOYSA-N 373.434 2.369 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1F 25126974 IJYOITLFAAEQHI-KTJHAIQESA-N 350.434 2.461 0 40 FEAB COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1 1466745 JPBNAHCNQXLIJP-OAHLLOKOSA-N 362.451 2.465 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(S(C)(=O)=O)CC3)C2=O)c1 108529877 FUUQWRXWGIGHOD-SFHVURJKSA-N 350.484 2.159 0 40 FEAB COC(=O)C1(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)CCC(C)CC1 56115370 JPBFXOFEEWJJPT-UHFFFAOYSA-N 373.453 2.376 0 40 FEAB CCS(=O)(=O)N1c2ccc(C(=O)NCc3cccnc3)cc2C[C@H]1C 20448928 LYLSQACFJFUFNC-CYBMUJFWSA-N 359.451 2.112 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1cc(COc2ccc(OC)cc2)oc1C 26007254 ORNXKCGMOOXCPP-GFCCVEGCSA-N 360.410 2.430 0 40 FEAB Cn1cc(C(=O)NCCNC(=O)COc2ccccc2)c2ccccc21 25998101 YRJHKAWGPPMFRX-UHFFFAOYSA-N 351.406 2.103 0 40 FEAB biogenic COc1ncccc1CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 26384639 MFENNQFVUJOKIR-UHFFFAOYSA-N 368.437 2.194 0 40 FEAB O=C(Cn1c(=O)c2nncn2c2ccccc21)N1CCCc2ccccc21 57522896 QEDSXYZZANTKLH-UHFFFAOYSA-N 359.389 2.024 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58195086 ZCZZJFWOGFIRDB-FQEVSTJZSA-N 369.396 2.251 0 40 FEAB CC(C)Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 3383644 ACQRNWIYTTUYLI-UHFFFAOYSA-N 351.457 2.188 0 40 FEAB Cc1csc(NC(=O)CSc2nnnn2CCc2cccs2)n1 10858332 OZUSMXPUVXGAIY-UHFFFAOYSA-N 366.497 2.473 0 40 FEAB CCNC(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 11023282 SGFVFOOPEQCEGX-UHFFFAOYSA-N 373.482 2.319 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(OC(F)F)cc1 12807782 YJXIBSYTMLBOHW-JTQLQIEISA-N 352.389 2.314 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3ccccn23)CC1 8392736 XDSZNBCIJRQLCN-LBPRGKRZSA-N 362.455 2.012 0 40 FEAB C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccc(-n2cncn2)cc1 13199349 BUCRLKLLCWDACB-LBPRGKRZSA-N 372.406 2.005 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1COc2ccccc2O1 6055294 JGQWYEHERUSFLN-PXAZEXFGSA-N 357.362 2.405 0 40 FEAB COc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)c(OC)c1 6170210 CDOKXACFSUWNHO-RIYZIHGNSA-N 371.443 2.444 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 13816335 HWUGOPVHGJIHIU-UHFFFAOYSA-N 359.817 2.112 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1=O 8480770 RZAFOQFXSPNGGS-MDOVXXIYSA-N 357.454 2.348 0 40 FEAB COc1cc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)ccc1O 5682087 PLUBBLAPBRMNRM-CQSZACIVSA-N 367.409 2.496 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1 6787742 YYZZUCGUMAMEHG-UHFFFAOYSA-N 366.483 2.205 0 40 FEAB COc1ccccc1NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 8718832 PERAWNHVSVFMOT-UHFFFAOYSA-N 373.434 2.228 0 40 FEAB Cc1ccc(S(=O)(=O)n2ccc3c(OCc4nn[nH]n4)cccc32)cc1 5739269 YOJJGSAUGLOMJU-UHFFFAOYSA-N 369.406 2.279 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 6891378 RXLOTKWJVQIIIB-MRXNPFEDSA-N 353.440 2.386 0 40 FEAB COc1ccc(CNC(=O)CSCc2nnnn2-c2ccccc2)cc1 8851688 FWHGROXCRCGADK-UHFFFAOYSA-N 369.450 2.221 0 40 FEAB O=C1NCCCC[C@@H]1NC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 68177148 OLIBHSUDBRKMRG-HNNXBMFYSA-N 358.438 2.402 0 40 FEAB CCOC(=O)c1sc(NC(=O)CN2[C@H](C)CCC[C@@H]2CO)cc1C 89984799 MHAHHFTUZALUEV-CHWSQXEVSA-N 354.472 2.407 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCCO1 9512533 MGPIHUIPLNDTJS-INIZCTEOSA-N 352.456 2.369 0 40 FEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1COc2ccccc2O1 83851057 AOFBKWHFZLVZQX-LJQANCHMSA-N 356.422 2.122 0 40 FEAB CSc1nn(C)c2ncnc(NCC[S@](=O)Cc3ccccc3)c12 97020959 LJRDCZCOVWLSBT-XMMPIXPASA-N 361.496 2.446 0 40 FEAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CC[S@@](=O)C1 76092152 SLXWLHQSODOIKY-BUBHHJDNSA-N 354.378 2.190 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 95424580 AKFVSYOOFDDOOG-WMZOPIPTSA-N 368.364 2.423 0 40 FEAB CCN(CC)CCN(C(=O)Nc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 95951623 HLCSZVGNDHEDLR-KRWDZBQOSA-N 367.515 2.358 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOc1ccc(F)cc1 29296944 UZGSTGOCDASNCW-UHFFFAOYSA-N 370.380 2.397 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)c1 39220756 MQZJEUGDMFGOCM-QGZVFWFLSA-N 351.406 2.405 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cccnc1 306129302 IAFDHCBGQSIXQL-GOSISDBHSA-N 362.437 2.050 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218578135 MXIPGHGGBRUCGT-ULQDDVLXSA-N 350.871 2.244 0 40 FEAB CCOC(=O)[C@@H]1CN(CCC(C)C)C[C@]12COc1ccccc1C(=O)N2 72334306 YEUPHDBWHOHRAV-JXFKEZNVSA-N 360.454 2.089 0 40 FEAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc1 73391346 MFAQRALUOKQDAT-CFGAKRJMSA-N 357.406 2.492 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72362719 UNOQHYZYJWTQFS-CQSZACIVSA-N 372.400 2.250 0 40 FEAB CN(C)c1cccc(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c1 70926653 URRWSEXAAZIBDZ-UHFFFAOYSA-N 366.465 2.430 0 40 FEAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225592104 YAMZLUKSZPCAPX-UHFFFAOYSA-N 360.848 2.132 0 40 FEAB Cc1cc(C(=O)NCCOCc2ccccc2)ccc1NS(C)(=O)=O 224087291 CKXTXHNGNIZPTH-UHFFFAOYSA-N 362.451 2.313 0 40 FEAB Cc1cc(C(=O)Nc2cccc(-n3cc(C(=O)O)nn3)c2)nn1C(C)(C)C 575477093 QBNZHCJRRWJCRD-UHFFFAOYSA-N 368.397 2.478 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1 96226109 LTLUQMLCAWXAHR-KRWDZBQOSA-N 357.439 2.206 0 40 FEAB Cc1cnc(C(C)(C)NS(=O)(=O)c2cnc(C)c(C(=O)O)c2)s1 580190390 QMIOUHMFJVXNPG-UHFFFAOYSA-N 355.441 2.067 0 40 FEAB Cc1cc([C@H]2CCCCN2C(=O)CCc2ccnn2C)nc2ccnn12 257284025 PAYBIORMFVKHSL-QGZVFWFLSA-N 352.442 2.458 0 40 FEAB CS(=O)(=O)c1cc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc(C(=O)O)c1 630139941 GFZICWVMWSWOJJ-YESZJQIVSA-N 371.414 2.313 0 40 FEAB O=C(NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CSCN1 638535027 ZXTNACQWGXBADE-ZWKOTPCHSA-N 367.474 2.162 0 40 FEAB OC[C@@H]1CCCN1Cc1cn(CCOc2cccc3ccccc23)nn1 641004139 CIUUZRUMFFZCKW-SFHVURJKSA-N 352.438 2.467 0 40 FEAB CN(Cc1nnc([C@H]2CCCOC2)o1)Cc1cn(C)nc1C(F)(F)F 644256155 JLOUHLIKYASMNJ-JTQLQIEISA-N 359.352 2.348 0 40 FEAB C[C@@H]1COc2ccccc2CN1C[C@H](O)COc1ccc(C(=O)O)cc1 652443293 RPSVTCAKUIOGJK-PBHICJAKSA-N 357.406 2.408 0 40 FEAB O=c1ccccn1CCn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 674932057 GHCNVGLQEACJJW-UHFFFAOYSA-N 350.209 2.433 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)no1 683805185 KFKGHEJCZKNKSX-WFASDCNBSA-N 360.414 2.427 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)n[nH]1 96125620 KJBYJLKQYRFYSL-CRAIPNDOSA-N 370.501 2.421 0 40 FEAB biogenic CN(Cc1nc(-c2ccncc2)no1)C(=O)Nc1c2c(nn1C)CCC2 96151353 LTAQFVCJMUOFBQ-UHFFFAOYSA-N 353.386 2.018 0 40 FEAB Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C)C[C@@H]23)cs1 575402561 BXNUJNQTPDTDDI-CTTHYATASA-N 350.484 2.488 0 40 FEAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1 585096680 ADWGUCUFLVROJP-INIZCTEOSA-N 356.426 2.128 0 40 FEAB Cc1cccc(C[C@@]2(CO)CN(C(=O)CCc3cccnc3)CCO2)c1 585278077 QHDRKXHCYRNKIX-NRFANRHFSA-N 354.450 2.155 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](COc3cccnc3)CN2C)C1 585093886 MVYOITUHVDQNLD-INIZCTEOSA-N 354.454 2.070 0 40 FEAB CN(C)CCn1cc(Nc2ccc3nnc(-c4cccc(F)c4)n3n2)cn1 1655612303 OSPGMQYPLYVQLX-UHFFFAOYSA-N 366.404 2.432 0 40 FEAB COc1cc(OC)c(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl 5728248 BQEQWJKQDNQIDO-UHFFFAOYSA-N 355.803 2.171 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@@H](CC)c2ccccc2)NC(=O)N[C@H]1C 5837915 PYDQGLRIIKLBND-JSGCOSHPSA-N 360.410 2.242 0 40 FEAB Cc1ccc2nc(Cn3cnc4sc(C)c(C)c4c3=O)cc(=O)n2c1 11608723 SZTHSEKHMPEXIC-UHFFFAOYSA-N 352.419 2.439 0 40 FEAB CCc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3sccc3n12 12115316 BTYGEMZVSCVWDO-UHFFFAOYSA-N 353.407 2.307 0 40 FEAB Cc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)no1 18948363 AYDCHLSRVLLZGQ-UHFFFAOYSA-N 355.350 2.454 0 40 FEAB COCCC(=O)N[C@@H](c1cc(N(C)C)nc(-c2ccncc2)n1)C(C)C 19445685 AOEBGACJJQSFOS-GOSISDBHSA-N 357.458 2.454 0 40 FEAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(OC)c3OC)C2)n1 19594319 ACESBYBCWNQSTQ-OAHLLOKOSA-N 373.453 2.313 0 40 FEAB Nc1ncnc2nc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ccc12 19704771 QLLRZNPQDJBSPJ-ZDUSSCGKSA-N 351.385 2.305 0 40 FEAB Cc1cccc(C2=CCN(C(=O)[C@H]3Cn4c(C)nnc4CN3C)CC2)c1 644407578 DPDKINWZMPUJBZ-GOSISDBHSA-N 351.454 2.025 0 40 FEAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888879163 ATHDSVIMJUIYGM-HOTGVXAUSA-N 370.478 2.004 0 40 FEAB COc1nccnc1N(C)CC1CCN(c2cc(C)nc3ccnn23)CC1 1888879678 TUIAJNTWBWUKGH-UHFFFAOYSA-N 367.457 2.189 0 40 FEAB O=C([C@@H]1CCCN(c2ncc(Br)cn2)C1)N1CCSCC1 1889099162 XBKSPNZWSLHNPQ-LLVKDONJSA-N 371.304 2.031 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)no1 2037845984 JLDNBTJGZGCCSO-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB COc1cnc(O[C@H]2CCN(c3ncccc3Br)C2)nc1 2086966137 DWYCGQCBNDJRQD-JTQLQIEISA-N 351.204 2.300 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015900 GMOKAFJTQXCERQ-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccccc2)N2NC(c3ccc(N(C)C)cc3)=NC2=N1 4189657 FKYKQHCJJBPVBM-SFHVURJKSA-N 374.448 2.190 0 40 FEAB Cn1cccc1[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)N1CCCC1 11846997 UKWICCFUTVPFEC-SFHVURJKSA-N 365.474 2.421 0 40 FEAB Cc1cccc(OCC(=O)NCCCn2nc(-c3ccco3)ccc2=O)c1 13802374 OEGWEJIEFBFIFU-UHFFFAOYSA-N 367.405 2.397 0 40 FEAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cccc(-n2cccn2)c1 575618365 HFDFZRNPFADRAA-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB Cc1nccn1-c1cccc(N2CCN(c3ncnc4cnccc34)CC2)n1 2298104748 LCCDDAQZNPSWRO-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 59835314 NAUUCYUHFDPVDG-INIZCTEOSA-N 358.438 2.475 0 40 FEAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2c1 40069986 MKPLWFJKNJGCNH-IBGZPJMESA-N 369.465 2.177 0 40 FEAB COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 40160027 NCZCDAHKEBCDTA-GOSISDBHSA-N 373.474 2.454 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cnn(-c3ccccn3)c2C)n1 40142504 CCNGTMVKGPSBIH-ZDUSSCGKSA-N 352.442 2.455 0 40 FEAB CCCCn1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20612313 KKCJTQHKGHFLEQ-KRWDZBQOSA-N 368.437 2.101 0 40 FEAB biogenic CN(C)c1ccc(-c2noc(C(=O)N[C@H](CO)Cc3ccccc3)n2)cc1 20732848 ANIDMSCZYQZUHW-INIZCTEOSA-N 366.421 2.136 0 40 FEAB Cc1cc(CN2CCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)on1 32272627 DNHSPTRTTPRIRC-HWKANZROSA-N 353.422 2.276 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1cccs1 4270689 ZDGOLKYHILBGOI-AWEZNQCLSA-N 373.434 2.280 0 40 FEAB biogenic,in-vitro COc1ccccc1[C@@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@H]12)OCO3 4571087 WRLLJZYUHKBCFJ-WSTZPKSXSA-N 370.357 2.464 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986770 ZRKSEOASSKFEFB-IRXDYDNUSA-N 357.385 2.109 0 40 FEAB COC(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 7792272 UBXSBOIRNFVFGG-UHFFFAOYSA-N 372.764 2.361 0 40 FEAB COc1ccc(CS(=O)(=O)CC(=O)NCc2ccccc2F)cc1F 32929909 HUMFZZJSFULABY-UHFFFAOYSA-N 369.389 2.205 0 40 FEAB COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 10612619 HNMYQODSIILMTA-UHFFFAOYSA-N 363.487 2.383 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(c2nc3ccccc3o2)CC1 22530535 QLGMLVRNJPKZIA-UHFFFAOYSA-N 361.398 2.478 0 40 FEAB CC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 3165461 MQLWCKXKTZAKSS-UHFFFAOYSA-N 362.332 2.301 0 40 FEAB COCCc1ncc(CN[C@@H](c2cc(O)n3nc(C)cc3n2)C(C)C)cn1 100217731 ZXSSMHGOEKDNAU-LJQANCHMSA-N 370.457 2.209 0 40 FEAB O=C(NCCN1CCOCC1)c1cc(-c2ccccn2)nc2ccccc12 25395278 JYVXZOQJRYLIHT-UHFFFAOYSA-N 362.433 2.359 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)o1 56276780 IFIBEZFIDPIYRL-GFCCVEGCSA-N 368.842 2.428 0 40 FEAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57482135 KCVGFNQFXNZPKH-UHFFFAOYSA-N 356.341 2.121 0 40 FEAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 57280222 VBIMYTJTKCQEFY-UHFFFAOYSA-N 362.455 2.092 0 40 FEAB Cc1ccc(N(C[C@@H](O)CN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 1814865 HVDDNZRUHMWIMK-SFHVURJKSA-N 362.495 2.421 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1O 59474405 QJOMCEITOLSRHM-UHFFFAOYSA-N 370.390 2.235 0 40 FEAB O=C(CCN1CCC[C@@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 26913229 FCEVADKSLMUSCG-LJQANCHMSA-N 365.481 2.352 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccc1Cn1cccn1 10234800 DGPSAUBNTYDFSL-UHFFFAOYSA-N 373.416 2.027 0 40 FEAB COc1ccc(CCC(=O)NC[C@@H](O)COCc2ccc(OC)cc2)cc1 58310799 LXQIWYFTNJNZRP-GOSISDBHSA-N 373.449 2.330 0 40 FEAB NC(=O)C1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 3348871 NTLZEGXERBPYSV-UHFFFAOYSA-N 368.462 2.120 0 40 FEAB COc1ccc(Br)c(C(=O)NC2CCN(C(C)=O)CC2)c1 37977329 DQQATDFAQCSFEY-UHFFFAOYSA-N 355.232 2.198 0 40 FEAB c1cnn(-c2cncc(NCc3ccc(CN4CCOCC4)cc3)n2)c1 48374043 WFCKUJUXJSFBTB-UHFFFAOYSA-N 350.426 2.107 0 40 FEAB O=C(COC(=O)c1cnccn1)NCCc1ccc(Cl)cc1Cl 6486168 PVAWJJNNKNXOSM-UHFFFAOYSA-N 354.193 2.299 0 40 FEAB Cc1cccc(C2=CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)c1 302393627 GABLAXJVIMJFOY-UHFFFAOYSA-N 363.465 2.357 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 14250324 VPOQQNZYIAPYLM-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB COc1ccc(OC)c(NC(=S)N2CCN(c3ncccn3)CC2)c1 4741225 SKZHPPNCYRRVPM-UHFFFAOYSA-N 359.455 2.013 0 40 FEAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 67896561 KVXLWOCKZPMXJX-UYAOXDASSA-N 372.396 2.245 0 40 FEAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)COc1ccc(-n2cnnn2)cc1 7251558 LZCNWNASKGLSBM-UHFFFAOYSA-N 359.773 2.342 0 40 FEAB Cc1ccc(OC(=O)C[C@H]2CCS(=O)(=O)C2)c(C(=O)NCC(C)C)c1 67776861 HKUBVBVVNKSIAM-CQSZACIVSA-N 367.467 2.111 0 40 FEAB C[C@@H](NC(N)=O)C(=O)/N=c1/sccn1Cc1cccc2ccccc12 68031430 QQDCLQMXFNCSBW-CPQJXXICSA-N 354.435 2.235 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H]1CCOc2ccccc21 8029464 XHKQSEPGLAKDNH-CQSZACIVSA-N 357.435 2.452 0 40 FEAB Cc1noc(C)c1CC(=O)OCc1nc(N)nc(Nc2ccccc2)n1 8393936 PGUGQOQKZCOSKN-UHFFFAOYSA-N 354.370 2.088 0 40 FEAB O=C(Nn1c([C@H]2CCCO2)n[nH]c1=S)c1ccc(-n2cccn2)cc1 9500336 RTUVYCWPWABMKW-CYBMUJFWSA-N 356.411 2.362 0 40 FEAB NC(=O)c1cc([C@@H]2CCCN(C(=O)Nc3ccc(F)c(F)c3F)C2)n[nH]1 95410238 IMDJVBZHHCDAHT-MRVPVSSYSA-N 367.331 2.337 0 40 FEAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 75092540 VPMQXTMNEAOYMD-GFCCVEGCSA-N 358.398 2.378 0 40 FEAB CCOc1cccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 20455077 WHIRENXGXSSUTM-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccsc1)CC(=O)N2 31809432 FUVGSVXIYYVCAX-JTQLQIEISA-N 351.395 2.383 0 40 FEAB CCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 306135526 OTZWVDZAXPLZRG-OXQOHEQNSA-N 358.486 2.429 0 40 FEAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NC1CCCCC1 4024220 WLUWRBHLQVSTEA-CVEARBPZSA-N 371.481 2.023 0 40 FEAB biogenic O=C(OCc1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(=O)oc1 36662540 VBYSIPZGRFMDIC-UHFFFAOYSA-N 355.302 2.423 0 40 FEAB COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2 31495467 QDNMFIYGVRUVCE-SFTDATJTSA-N 369.417 2.405 0 40 FEAB biogenic,in-vitro CN(C)c1nc2c(c(NCCc3cnn(-c4ccccc4)c3)n1)CCNC2 71760122 GBJWOAZZYLTPJJ-UHFFFAOYSA-N 363.469 2.029 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ccc(F)cc1 72346709 QPFYPMZXDWOGAS-CABCVRRESA-N 357.385 2.066 0 40 FEAB CCCc1nnc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)s1 40005240 ONVDRDCEGQCSKH-UHFFFAOYSA-N 365.459 2.074 0 40 FEAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc[n+]([O-])c1 225756483 KSZTXGLYXNNVMH-UHFFFAOYSA-N 369.450 2.170 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96218161 FMHQRAVULSGTPN-INIZCTEOSA-N 357.410 2.468 0 40 FEAB COc1ccc(Cl)c(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)c1 248107656 JADKBEKRWFYJNC-CYBMUJFWSA-N 362.861 2.379 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c(C)n1 257337120 YRMILUYSKRFMDW-GOSISDBHSA-N 355.442 2.220 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1cccc(Cl)c1 257283820 OZYUYSUGRBMMSU-WBVHZDCISA-N 351.878 2.317 0 40 FEAB CNC(=O)CN(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257267691 MIKITFROQRVEFR-ZZEDZQHJSA-N 360.498 2.299 0 40 FEAB Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257300106 RSYAWOWOLQDRBL-INIZCTEOSA-N 358.442 2.226 0 40 FEAB Cc1cc(N2CCC[C@@H](Cc3cc(C(=O)N(C)C)ncn3)CC2)ncn1 257276187 NSROVCQECDCYBR-OAHLLOKOSA-N 354.458 2.126 0 40 FEAB CN(C)CC(=O)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 257314197 UVSXCRBQSRMULB-HNNXBMFYSA-N 360.845 2.259 0 40 FEAB CCc1ccc(CN2CCN(C(=O)c3c[nH]nc3[C@H]3CCNC3)CC2)s1 662467475 BTAXWLUQKIEUTA-AWEZNQCLSA-N 373.526 2.069 0 40 FEAB C[C@]1(CNC(=O)C2(C3CC3)CCC2)CN(C(=O)C2(C3CC3)CC2)CCO1 1775990480 BFRRWAPQHBOSRZ-IBGZPJMESA-N 360.498 2.491 0 40 FEAB NC(=O)c1nccnc1N1CCC(c2nc(-c3ccncc3)cs2)CC1 641389658 AZJIMGBQSGGVDT-UHFFFAOYSA-N 366.450 2.478 0 40 FEAB CCOc1c(Cl)cccc1CC(=O)N1CCC[C@@]1(COC)C(=O)O 643854065 RFUWFATYNIYRAB-QGZVFWFLSA-N 355.818 2.373 0 40 FEAB O=C(O)[C@H](C1CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 580084834 BLNVKUUTZKIPPQ-SFHVURJKSA-N 374.462 2.009 0 40 FEAB CCOC[C@H]1CCn2cncc2CN1C(=O)c1cccc2c1OCCO2 585097783 PRTGKONOXBRAER-CQSZACIVSA-N 357.410 2.106 0 40 FEAB CNc1cnc(C(=O)N2CCC[C@@](COc3ccccc3)(OC)C2)nc1 585277052 RSLSCZXWKFMJNX-LJQANCHMSA-N 356.426 2.219 0 40 FEAB CC(=O)[C@@H]1CC(C(=O)/N=c2\cc[nH]c3ccncc23)=NN1c1ccccc1 75105564 BUDVMKKZQHTLTI-IBGZPJMESA-N 359.389 2.214 0 40 FEAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4cscn4)C[C@@H]32)Nc2ccccc21 12086077 GJECLKLUDSPFNK-YNKQFZHNSA-N 354.435 2.177 0 40 FEAB CN(C)c1nc2c(c(N3CCC[C@@H](O)C3)n1)CN(Cc1ccccc1)CC2 12183241 BNLZIKHSSNPZHD-QGZVFWFLSA-N 367.497 2.062 0 40 FEAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 12362923 UMNKUTHNZANKTR-INIZCTEOSA-N 370.497 2.340 0 40 FEAB CC(C)N1CCC(NC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)CC1 19447846 SARSLTDONDRLRW-XGHQBKJUSA-N 369.465 2.063 0 40 FEAB COc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c(OC)c1OC 8272279 HLWXWGYPMTTWHN-XFFZJAGNSA-N 351.384 2.357 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)CSc1nccn1-c1cc(C)cc(C)c1 7120440 BRLFSUJXHVPZGY-AWEZNQCLSA-N 360.483 2.222 0 40 FEAB Cc1nnc(CN2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)o1 1888897755 ADKKLKMKAGJCMH-UHFFFAOYSA-N 371.470 2.231 0 40 FEAB Cn1c(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)cc2ccccc21 1565555377 ZJCXJDPZBABCRZ-JTDSTZFVSA-N 367.449 2.030 0 40 FEAB Cc1ccc(N2C[C@@H](NS(=O)(=O)c3cccs3)CC2=O)cc1C 4497724 ARUDGBNPKYWQQH-ZDUSSCGKSA-N 350.465 2.449 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NC[C@H]1CCCO1 12230430 FEJAGSURBRMCJC-MRXNPFEDSA-N 374.412 2.170 0 40 FEAB CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O 15962665 YYXCXSSGNJZPJH-OAHLLOKOSA-N 372.469 2.093 0 40 FEAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CCc4nc[nH]c4C3)nc21 220551626 NIDYTCKWDIRVNO-UWVGGRQHSA-N 360.439 2.203 0 40 FEAB CCCn1cc(NC(=O)CNC(=O)c2ccccc2OCC)ccc1=O 40150215 GQSIVGAOZROFCA-UHFFFAOYSA-N 357.410 2.026 0 40 FEAB CCN1CCN(Cc2ccc(CNC(=O)Cc3c(C)noc3C)cc2)CC1 40115684 GZCJHTDBNFLAQB-UHFFFAOYSA-N 370.497 2.288 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(F)cc3c2OCOC3)c1=O 31799457 SQRAJHPPHRNWMX-UHFFFAOYSA-N 372.274 2.020 0 40 FEAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 46080110 FVSHIPLTXTZCFF-CQSZACIVSA-N 371.441 2.087 0 40 FEAB COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)coc2c1 6174627 GCYBKDZNLXRXTB-UHFFFAOYSA-N 360.391 2.270 0 40 FEAB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Cl 6953613 CSWCOWOXOQBWPX-KPKJPENVSA-N 357.753 2.410 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21 7360916 LLUUYYQYAJXKED-UHFFFAOYSA-N 360.391 2.095 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC1(c2ccccc2)CCC1 102839739 MFVDITSBACGYAP-IAGOWNOFSA-N 354.450 2.400 0 40 FEAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(N)(=O)=O 8249887 CVFUEILAAJFBNX-UHFFFAOYSA-N 360.435 2.474 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10331717 KUFCUACBWSIJFN-QWRGUYRKSA-N 362.879 2.418 0 40 FEAB CC(C)CNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325317 LNNYCAFBJQXMIV-GFCCVEGCSA-N 367.496 2.357 0 40 FEAB O=C(Nc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 22381406 IDRVTECKJLGARF-ZDUSSCGKSA-N 360.439 2.151 0 40 FEAB O=C(NCCc1ccc(Cl)s1)N1CCN(c2ncccn2)CC1 47144228 PXLTZZBMGYGLJI-UHFFFAOYSA-N 351.863 2.266 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(F)cc2)nc1N 887411 RXBOWVOYNZSYPP-UHFFFAOYSA-N 350.375 2.105 0 40 FEAB CC[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1 991673 NJXJKBMFLSKSIH-INIZCTEOSA-N 351.358 2.487 0 40 FEAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cn2cccnc2n1 55454980 ZUGOZJOJKKARAO-UHFFFAOYSA-N 354.385 2.347 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(S(C)(=O)=O)c1 25181828 RDPZCVWXTWZZJB-UHFFFAOYSA-N 359.403 2.080 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3o2)c1 8312601 DNZSABRGSSLLAG-UHFFFAOYSA-N 360.391 2.435 0 40 FEAB Cc1ccnc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 25320749 HDJPBZKWPIRJFY-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CCOc1ccccc1[C@@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)NC(C)=O 77326867 VDPYNITTXFIBHT-IEBWSBKVSA-N 373.497 2.349 0 40 FEAB COC(=O)C1CCN(C(=O)CSc2ccc(OC)c(OC)c2)CC1 20493105 SCJNBKKLCLDQSN-UHFFFAOYSA-N 353.440 2.208 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccccc3)CC2)c1C 35269408 GAPLOOVXLZOXSN-UHFFFAOYSA-N 355.438 2.423 0 40 FEAB O=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(c2ccccn2)CC1 26727167 ZFPVWECHHANYIF-UHFFFAOYSA-N 372.419 2.461 0 40 FEAB COc1ccc(NC(=O)[C@H](C)Sc2nc3ncccn3n2)cc1OC 10077743 MNZSJRGUNDVCBY-JTQLQIEISA-N 359.411 2.261 0 40 FEAB O=C(CN1CCC[C@@H]1Cc1ccccc1Cl)NCC(=O)N1CCCC1 58175164 RZFVDIKUSFWJGE-MRXNPFEDSA-N 363.889 2.086 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1OC 58162648 LYKWDUGOPWPVLO-KBXCAEBGSA-N 370.515 2.493 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc2c(c1)CCO2)C(F)(F)F 58160125 AGTKXUPTBRHPCZ-HNNXBMFYSA-N 355.316 2.134 0 40 FEAB CN(C)CCn1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cn1 58268127 IQYPBTGKHHQSGV-SFHVURJKSA-N 358.442 2.255 0 40 FEAB Cn1cc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cn1 48193895 AFVSZAJNUYVDBR-LBPRGKRZSA-N 366.343 2.426 0 40 FEAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1CN1C(=O)CNC1=O 10642157 QHMFQIKAGJWVHX-UHFFFAOYSA-N 363.295 2.408 0 40 FEAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NC1CCCC1 2466739 NRZBDKVXJLURJH-UHFFFAOYSA-N 369.446 2.273 0 40 FEAB NC(=O)Cn1c(CSc2ncccc2Cl)nc2ccccc2c1=O 12769202 ZJECTPJKTUDKRQ-UHFFFAOYSA-N 360.826 2.223 0 40 FEAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 48332407 OBYBQSSCYQJHTH-HZPDHXFCSA-N 368.481 2.188 0 40 FEAB Cc1nn(CC(=O)NCCCOc2ccccc2)c(=O)c2ccccc12 12852826 WLMXQGQCOSAIJD-UHFFFAOYSA-N 351.406 2.290 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2c(C)noc2C)n1 3564299 BDGAZRORPNXRNO-UHFFFAOYSA-N 354.370 2.468 0 40 FEAB COC(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)cc(C(=O)OC)c1 3565691 UAFXNQFVBUJRNR-MRXNPFEDSA-N 371.345 2.038 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 3515522 PGRKLJKWESQRMX-UHFFFAOYSA-N 356.422 2.277 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)COCc2ccco2)CC1 8697002 MPOUNSPASUVAQJ-INIZCTEOSA-N 371.437 2.137 0 40 FEAB O=C1c2cccn2[C@@H]2CN(Cc3ccccn3)C[C@@H]2N1Cc1ccccn1 306138507 RZDQRXIPWIIBLZ-UXHICEINSA-N 359.433 2.360 0 40 FEAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccs4)sc3nc2=O)cc1 5006658 DYWFVYXBWJBUJD-XNTDXEJSSA-N 367.455 2.020 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 28268102 BDYRJXKAHHURAP-UHFFFAOYSA-N 357.410 2.175 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 71297194 FPOIDXGBOMOFHP-LIRRHRJNSA-N 373.478 2.125 0 40 FEAB C=CCN1C[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 65492222 RHHUCZFYWJOMAW-OAHLLOKOSA-N 360.429 2.025 0 40 FEAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 5365568 LYSXNDNXDQIGLU-CQSZACIVSA-N 373.453 2.262 0 40 FEAB O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3cccnc3)nnc2s1 5352105 CVJVLNKBPHPBJG-UHFFFAOYSA-N 362.374 2.044 0 40 FEAB COc1cc2c(cc1/C=C/C(=O)NCc1nnc3ccccn13)O[C@@H](C)C2 14134602 AWYJOWSGZTYGQW-YBJDMEARSA-N 364.405 2.391 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(OC)c1 6646214 YWGDTNGFGIMMAL-GOSISDBHSA-N 358.346 2.270 0 40 FEAB O=C(Oc1ccccc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654509 JVIMHPQUKVKGAW-CQSZACIVSA-N 370.430 2.453 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccco1 14898449 PTGLGLYWEUYNBI-UHFFFAOYSA-N 353.304 2.212 0 40 FEAB CC1(COC(=O)CCNC(=O)c2cc(F)ccc2Br)COC1 66532146 YFTRUHYGFSRDJA-UHFFFAOYSA-N 374.206 2.288 0 40 FEAB CN(CCc1ccc(Br)cc1)Cc1cc(=O)n2nccc2[nH]1 66539561 JLJUJOIWDWNNFH-UHFFFAOYSA-N 361.243 2.460 0 40 FEAB Cc1nc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cs1 7219963 XSBCJGBKCBKWRL-UHFFFAOYSA-N 371.509 2.160 0 40 FEAB C[C@@H](O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 68741167 BWFRAFYGIIICJZ-ZCFIWIBFSA-N 351.268 2.383 0 40 FEAB Cc1sc2ncn(CC(=O)NCCCN3CCCCC3)c(=O)c2c1C 9364197 KDUOWCKEFSSGSV-UHFFFAOYSA-N 362.499 2.067 0 40 FEAB Cc1ccc2c(c1)OCCN2C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 97002817 QLQQGMNEOAXIFX-MRXNPFEDSA-N 367.405 2.072 0 40 FEAB C[C@@H](COC(=O)CCNC(=O)c1cccs1)NC(=O)OC(C)(C)C 72310770 ULDXUDMDIIKNRA-NSHDSACASA-N 356.444 2.324 0 40 FEAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H](c1ccccc1)n1cnnn1 79489709 WKXPOMDIMWWNLS-HNNXBMFYSA-N 363.406 2.420 0 40 FEAB NC(=O)c1cccc(Cc2ccc(NC(=O)CN3CCCCC3)cn2)c1 79491428 LZLLRUIVFMPVGQ-UHFFFAOYSA-N 352.438 2.196 0 40 FEAB CC[C@H]1CN(C(=O)CNc2cc(Cl)ccc2N2CCOCC2)CCO1 84736495 UBCZSVPLSSOBKH-HNNXBMFYSA-N 367.877 2.226 0 40 FEAB CC[C@@H]1CN(C(=O)CNc2cc(Cl)ccc2N2CCOCC2)CCO1 84736494 UBCZSVPLSSOBKH-OAHLLOKOSA-N 367.877 2.226 0 40 FEAB CCN1CCN(C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 22870443 SCZRCVYAWGCTDO-INIZCTEOSA-N 350.503 2.370 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306131660 KLKVWIFLQOIZQW-HUUCEWRRSA-N 373.888 2.374 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 306142109 WPTPLYHQMNHJMP-HKUYNNGSSA-N 369.446 2.435 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCC(C)C 409003511 SKTDOJYXSYSNOM-CYBMUJFWSA-N 355.822 2.213 0 40 FEAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217446386 BBEZHKQNDSBTHK-LLVKDONJSA-N 356.444 2.053 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 32643068 CVSYIVYFCRAUGM-UHFFFAOYSA-N 351.472 2.268 0 40 FEAB CCCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217667974 HIXYVKBTWKPAHN-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB Cn1ccnc1-c1cc2nc3c(c(N4CCC[C@H](CO)C4)n2n1)CCCC3 72338545 BADSERXWHSOBDP-AWEZNQCLSA-N 366.469 2.217 0 40 FEAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 225314359 NNHUPWCAMDHAIA-UHFFFAOYSA-N 354.815 2.291 0 40 FEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC(C)C)s2)cc1 225265247 KSBLHIBBQQQNAK-UHFFFAOYSA-N 368.484 2.423 0 40 FEAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccs1 225126687 CJBFXVRUPDPJGE-UHFFFAOYSA-N 371.436 2.134 0 40 FEAB COc1nccc2c(NC(=O)c3cn(C[C@H]4CCOC4)nn3)cccc12 529474635 MKPFFEGFQXTLCL-GFCCVEGCSA-N 353.382 2.124 0 40 FEAB COc1ccccc1C(=O)N1C[C@H](OCc2nc3ncccc3[nH]2)[C@H](F)C1 96112017 WCXKIMRYEWPEOW-CJNGLKHVSA-N 370.384 2.346 0 40 FEAB biogenic,in-vitro Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 96074457 OBRYBDBVWDGDSF-FQEVSTJZSA-N 357.454 2.405 0 40 FEAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nnc(CN(C)C)o2)cc1 583621887 LDTBOMCPUAMVOK-INIZCTEOSA-N 358.442 2.436 0 40 FEAB CCS(=O)(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 257203655 ARAMIPIZFUDQEW-SHTZXODSSA-N 356.536 2.037 0 40 FEAB CC(C)c1nnc(COC2CN(C(=O)C[C@](C)(O)c3ccccc3)C2)o1 606445816 QHIOYMCTYKRRJS-IBGZPJMESA-N 359.426 2.218 0 40 FEAB O=C1NCc2ccc(-c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2N1 1776005883 OIKAXZYVNXJCDN-UHFFFAOYSA-N 371.462 2.219 0 40 FEAB C[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@H](c2nc(C3CC3)no2)O1 623173594 VBBILOGLNHJEHW-QMTHXVAHSA-N 353.382 2.426 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C 294803659 UGVFFIFFQUNQJO-HIFRSBDPSA-N 358.410 2.068 0 40 FEAB Cc1cc(C)n(-c2cc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)ncn2)n1 90614265 UBHFYMFZSDVYDY-ACJLOTCBSA-N 365.393 2.446 0 40 FEAB O=C(O)C1(C(=O)N2CCC[C@H](N3CCOCC3)CC2)CCCCCC1 663121890 TXBNNQTVFQXMSA-INIZCTEOSA-N 352.475 2.125 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@]3(C)[C@@H](C2)C3(F)F)c1C 294803661 UGVFFIFFQUNQJO-UKRRQHHQSA-N 358.410 2.068 0 40 FEAB O=C(NCc1cccc(OC(F)F)c1)c1sccc1-n1cnnn1 50367466 QNCRZKRVSZHBGB-UHFFFAOYSA-N 351.338 2.255 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)s2)cc1 53680363 HULDGOJPHXTKFO-UHFFFAOYSA-N 358.872 2.282 0 40 FEAB O=C(Cc1cccc(F)c1)NCCn1nc(-c2cccs2)ccc1=O 12158213 CVOZMECVIKRRDO-UHFFFAOYSA-N 357.410 2.470 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(-n4cnnn4)cc3)n2)c(C)c1 14075718 IAANNIFFGXFUIA-UHFFFAOYSA-N 374.408 2.421 0 40 FEAB CCc1nc(CNC(=O)c2cn([C@H](CC)c3ccc(F)cc3)nn2)no1 19523184 NGDHGMPEZYRNRT-CQSZACIVSA-N 358.377 2.292 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)s1 19560394 WBSICKLRPQEALZ-AWEZNQCLSA-N 372.494 2.212 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCn2nc(C)c(C)c2C)cc1C 19567457 FUBNZLHQGVVMHO-UHFFFAOYSA-N 351.472 2.412 0 40 FEAB CCOc1ccccc1NC(=O)CN(CCC(N)=O)Cc1ccccc1 9500983 JBBVTNNVFARNQS-UHFFFAOYSA-N 355.438 2.401 0 40 FEAB O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1ccc2c(c1)OCCCO2 29432967 IJDBIHRNAYYAGR-UHFFFAOYSA-N 372.406 2.229 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 1614929217 GHUUFKOPOPHUPP-SFHVURJKSA-N 363.408 2.468 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 1565548650 HETZCYAGZLHOIE-HOTGVXAUSA-N 357.404 2.493 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(F)cc1 807119 UHZWLWNPLWEWSZ-UHFFFAOYSA-N 363.352 2.360 0 40 FEAB COc1ccc(CC(=O)N[C@H]2CCc3onc(CN4CCCC4)c3C2)cc1 2055739051 JSFKUTNLQLDVTN-INIZCTEOSA-N 369.465 2.495 0 40 FEAB CC(C)c1noc(CN2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298049106 TYMACBHQGDSQIO-UHFFFAOYSA-N 370.457 2.259 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1OC 40088500 WUTLVCJGYSDECW-HNNXBMFYSA-N 363.458 2.056 0 40 FEAB CCCCc1noc(CS(=O)(=O)CCC(=O)Nc2ccccc2)n1 40106337 ILQPDLWRAYDATD-UHFFFAOYSA-N 351.428 2.356 0 40 FEAB COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)OCO4)CC2)c1 59308037 YTSPOBHTDVVGNH-SFHVURJKSA-N 356.422 2.280 0 40 FEAB O=C(CCNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)NC1CCCCC1 70007298 SWRRFEXBQINESS-QGZVFWFLSA-N 361.417 2.274 0 40 FEAB CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC)c1 924640 UUCRNFJNJNBZFW-UHFFFAOYSA-N 351.432 2.221 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1325290 YFCOTHLDEYEYQY-UHFFFAOYSA-N 374.528 2.374 0 40 FEAB CCOC(=O)C(=O)NN1C(=O)C=C(c2ccccc2)O[C@H]1c1ccccc1 3050691 VTMLFUWPKWTPPS-IBGZPJMESA-N 366.373 2.179 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2 46398238 LODCGYOFCOVZRP-SFHVURJKSA-N 364.511 2.038 0 40 FEAB COc1cccc(C(=O)NC(=O)c2oc3ccccc3c2C(N)=O)c1OC 4479358 YREMGPHNCPXAKS-UHFFFAOYSA-N 368.345 2.119 0 40 FEAB C[C@H](c1ccccc1)n1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1 4986270 IHWBXVFYMUQQNG-ZBFHGGJFSA-N 364.405 2.457 0 40 FEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCc1ccc(Cl)cc1 7136617 PFWPRBUISGISSQ-UHFFFAOYSA-N 371.824 2.092 0 40 FEAB COc1ccc(CCNC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 32862762 APLSQCNBUKZXCA-OAHLLOKOSA-N 372.421 2.386 0 40 FEAB Cc1cc(C)cc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 52711707 XTWPLMPPISSAAB-UHFFFAOYSA-N 363.483 2.415 0 40 FEAB CSc1ncccc1C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 32810460 CNTIBAVZQRTAKG-OAHLLOKOSA-N 357.435 2.300 0 40 FEAB O=C(O)C1=C[C@H](c2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 102277049 PACJLHBTKOGWEZ-CYBMUJFWSA-N 352.394 2.286 0 40 FEAB CCn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@@H]1CCCO1 8090109 VMLUEMGTSMGKSM-INIZCTEOSA-N 374.510 2.471 0 40 FEAB O=C1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)N1 60415486 KXAXLAVDLKQKMZ-ZDUSSCGKSA-N 351.244 2.266 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CC2CCCC2)CC1 22518886 NDVDKMUXADQHEQ-UHFFFAOYSA-N 369.487 2.095 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23110540 WUKUBMXHTXIXQJ-QGZVFWFLSA-N 374.444 2.492 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030094 GJIPUUZAJZMELU-BBRMVZONSA-N 362.426 2.294 0 40 FEAB CC[C@@H](C)N(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@H](C)CC 25047529 UTBRKHQQVMXWDP-CHWSQXEVSA-N 374.437 2.495 0 40 FEAB O=C(NC[C@@H]1COCCO1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 57080200 REBPRCKPWQIYSO-AEFFLSMTSA-N 370.453 2.023 0 40 FEAB CCc1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 3253862 MQMMLVHTOJTSFT-UHFFFAOYSA-N 369.373 2.385 0 40 FEAB aggregator CCOC(=O)[C@@H](CNC(=O)Nc1cnn(CCOC)c1)Cc1ccccc1 58162021 ISWAZWGGKWXNAS-MRXNPFEDSA-N 374.441 2.073 0 40 FEAB CN1CCN(c2ncccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1 58193802 GTFQJLSJHZPQKB-UHFFFAOYSA-N 363.465 2.174 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1)c1ccccc1 58202514 KTUFNTWDMNWPKF-QGZVFWFLSA-N 371.481 2.104 0 40 FEAB O=C1[C@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccccc2)CC1 2183623 WWAPNQKWAZMCKH-GOSISDBHSA-N 356.470 2.015 0 40 FEAB CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(C)c1 58419428 FDYFKGZJUUYIPM-OAHLLOKOSA-N 365.499 2.024 0 40 FEAB O=C(Nc1ccccn1)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48309516 IVNFNWNQSKEXEH-ZDUSSCGKSA-N 369.450 2.002 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 3464854 HVRHHJFYCKBGED-HXPMCKFVSA-N 357.410 2.328 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1)N1CCCCC1 13007505 RVDQWMOTPZIXNL-UHFFFAOYSA-N 369.509 2.336 0 40 FEAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2 17953306 CZXKABZGZBYGHS-MFOYZWKCSA-N 360.435 2.094 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCc1cccc(Cl)c1 8504517 DBATYTJIMWSAPJ-UHFFFAOYSA-N 352.847 2.011 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC)nc2)c1C 8514745 SZVPMAKPOAIWOO-NSHDSACASA-N 360.366 2.250 0 40 FEAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCCNC2=O)o1 64092244 BUDFPENIMAFJDY-INIZCTEOSA-N 364.405 2.449 0 40 FEAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc(Cl)c(C(F)(F)F)c1 13688830 VUCFXXGRZHEDJD-SECBINFHSA-N 359.695 2.472 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc(C(N)=O)cc1 6060030 FSXYXEJBEYAQHA-SECBINFHSA-N 361.785 2.205 0 40 FEAB Cc1c(C(=O)NCCNC(=O)c2ccccc2F)[nH]c2c1C(=O)CCC2 65490706 SUGUBVGPPDFOEE-UHFFFAOYSA-N 357.385 2.141 0 40 FEAB CC[C@](C)(NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCCC1 4571344 ANMOJBXCHAQOOD-FQEVSTJZSA-N 359.470 2.150 0 40 FEAB CCSc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 8708003 HOQFDSIMJXZQAO-NSHDSACASA-N 361.456 2.059 0 40 FEAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 67795934 QKQDKBMKBGNLMD-WMLDXEAASA-N 373.453 2.170 0 40 FEAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 7308496 PLTOERZGXZHRSZ-HNNXBMFYSA-N 357.497 2.200 0 40 FEAB CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(C(N)=O)cc2)c1 7467656 VQUJDVDQQXHAFC-UHFFFAOYSA-N 369.421 2.285 0 40 FEAB CCN(CC)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858371 QYWPUTCWXVQAFZ-JTQLQIEISA-N 358.847 2.135 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7981217 JZJWMVBRHWKJAR-NSHDSACASA-N 355.416 2.074 0 40 FEAB COc1ccc2cc(/C=C3/SC(=N)NC3=O)c(N3CCOCC3)nc2c1 21596680 BCQBEHPFCQXCPL-OQLLNIDSSA-N 370.434 2.219 0 40 FEAB Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(O)c1 9691801 BMUMIVHBRSWIDX-UHFFFAOYSA-N 354.453 2.106 0 40 FEAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1 75094463 BHDZQDFLNJCFMY-OAHLLOKOSA-N 357.439 2.228 0 40 FEAB COc1cc(O)cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 504061355 QWZCWAAPWWSNEW-UHFFFAOYSA-N 362.407 2.476 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218046409 JVEFSRVRWZLJPV-WSTZPKSXSA-N 373.474 2.443 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)cc1 30611777 DFGPTUUFGLPDKH-LLVKDONJSA-N 358.423 2.416 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cccs1 36708295 CWQRZWPMWUYYCL-UHFFFAOYSA-N 358.419 2.118 0 40 FEAB CC(C)(C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217630493 NGAHSMCTAJTLPZ-NSHDSACASA-N 356.444 2.053 0 40 FEAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 225806413 FTJTYDRMVACVFP-AWEZNQCLSA-N 352.394 2.189 0 40 FEAB CN(C)c1cnnc(N2CCN(C(=O)CCCc3ccccc3)CC2)c1 224308928 QCWSJBNCQGYELZ-UHFFFAOYSA-N 353.470 2.214 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc([C@@H](C)O)s1 225688762 VCNDNCHZSNSKII-SNVBAGLBSA-N 359.444 2.470 0 40 FEAB COc1ccccc1OCc1cn(CC(=O)Nc2cccc(C)n2)nn1 227160868 VSHMRGXUURPTEF-UHFFFAOYSA-N 353.382 2.208 0 40 FEAB O=C1CCCN1[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 334059343 XTUQFXHNUNTYIL-INIZCTEOSA-N 374.872 2.325 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 97654446 KQBMBSXWCAJSIO-UHFFFAOYSA-N 368.499 2.354 0 40 FEAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccccc3F)C2)ncn1 257217658 CZZDEHJDZCQILC-CQSZACIVSA-N 370.428 2.412 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257249966 JKLBXMQMZPPMOA-HNNXBMFYSA-N 355.442 2.382 0 40 FEAB Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CCN3CC(=O)N(C)C)c1 257244513 ILRKATKOOKEXQG-RBUKOAKNSA-N 357.498 2.429 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 251982889 GIAGSTPUKKHEIN-HNNXBMFYSA-N 357.410 2.387 0 40 FEAB COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)[C@H]2CCCO2)C3)c(OC)c1 252445449 GQLGHTDKUWHYEO-JENIJYKNSA-N 374.481 2.494 0 40 FEAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1c(C)noc1C 267982687 GWWYPNVHNNRZIW-UHFFFAOYSA-N 354.384 2.118 0 40 FEAB CS(=O)(=O)C[C@@H]1CCN(Cc2nnn(-c3ccccc3)c2C2CC2)C1 639201132 QGYWSQULPAGDIL-CQSZACIVSA-N 360.483 2.011 0 40 FEAB O=C([C@H]1CC[C@@H](C2CC2)N1)N1CCC(C(=O)N2CCc3ccccc32)CC1 653080124 YWQRFSOATCQOPA-RBUKOAKNSA-N 367.493 2.345 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NCc2cccnc2N(C)C)cn1 663626657 XVJQVFLREXEDDM-SJORKVTESA-N 372.473 2.254 0 40 FEAB COc1ccc(-c2ccc(CNC(=O)N3CCO[C@@H](C(=O)O)C3)cc2)cc1 666530798 BJJDQVZDIDRAQW-GOSISDBHSA-N 370.405 2.357 0 40 FEAB Cc1ccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c(C)c1 670416163 UOUMGEFLRPYTMM-AWEZNQCLSA-N 354.410 2.110 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 585113255 WDOXFBPPUXHPJO-QGZVFWFLSA-N 350.484 2.353 0 40 FEAB CCc1[nH]c(C(=O)N2CCN(c3nccs3)CC2)c(C)c1C(=O)OC 11187609 XVHZYWOUKMTYNI-UHFFFAOYSA-N 362.455 2.091 0 40 FEAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 13613092 CWFFVMNGTGGFJU-UHFFFAOYSA-N 360.435 2.051 0 40 FEAB COC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 14675086 VPPPLAHAEDLWST-UHFFFAOYSA-N 353.330 2.125 0 40 FEAB C[C@@H](NC(=O)c1nc2ccccc2n(C)c1=O)c1ccc2c(c1)OCCO2 19666397 ZULFVPUJPOPVQL-GFCCVEGCSA-N 365.389 2.196 0 40 FEAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 8092294 CWDAEMXHWQGADC-GXDHUFHOSA-N 374.418 2.132 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888860102 CGSKUXGMTBKDDD-KZNAEPCWSA-N 364.449 2.075 0 40 FEAB CCc1cc(N2CCN(c3ncnc4cnccc34)CC2)nc(SC)n1 1888897672 YRROVZDCCGQUHP-UHFFFAOYSA-N 367.482 2.426 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)n1 1888908431 QJIPORADXXKJDI-UHFFFAOYSA-N 366.400 2.469 0 40 FEAB O=C([C@H]1CN(Cc2ccc(Br)cc2)CCO1)N1CCCC1 1889128493 WIUNQUXZSQDBTQ-OAHLLOKOSA-N 353.260 2.272 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cncnc3C)C2)cc1C 2037912925 DMQDMKXPIWZCMA-HXUWFJFHSA-N 355.438 2.448 0 40 FEAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4)nc32)cc1C 4518751 OLYOIDBNNKQOEI-UHFFFAOYSA-N 359.389 2.492 0 40 FEAB CCCNC(=O)Cn1nc(C(C)C)c2cnn(-c3ccc(F)cc3)c2c1=O 12229018 AUIRVJCATNOYLC-UHFFFAOYSA-N 371.416 2.371 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)on1 2055839562 OGEUTBDGZNLYHP-OAHLLOKOSA-N 373.409 2.059 0 40 FEAB COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 22765671 KVHFYTDOESJMFQ-SFHVURJKSA-N 360.479 2.489 0 40 FEAB O=C(NCCCOCc1ccco1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40092002 MILGDYCCNQKHJS-MRXNPFEDSA-N 363.458 2.230 0 40 FEAB COc1ccc(OCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 31500571 GUESOTLILDPYKH-INIZCTEOSA-N 352.394 2.480 0 40 FEAB CC(C)C(=O)N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 31545050 AWGUJRSDYOSOKZ-UHFFFAOYSA-N 351.878 2.147 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2nc(C(C)=O)c(C)s2)c1 11615562 ZONNVZKSXWSXHC-UHFFFAOYSA-N 356.425 2.472 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(OCC(N)=O)cc1 29300380 MWLSKVKFRZYGRK-ZDUSSCGKSA-N 365.389 2.004 0 40 FEAB O=c1c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)nc2n1CCS2 20623246 RGEDCDYRNXHDGN-CQSZACIVSA-N 374.853 2.424 0 40 FEAB biogenic Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1936089 PNELXKWUDNURTJ-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1O 20977413 NYFWAZCXKXXYEB-UHFFFAOYSA-N 355.346 2.331 0 40 FEAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 4664450 JWCLYULVJORWMV-TXFQPVFDSA-N 352.173 2.277 0 40 FEAB O[C@@H](CSc1ncnc2sc3c(c12)CCCC3)CN1CCOCC1 32750901 AJAXTZXYZHBVOB-GFCCVEGCSA-N 365.524 2.355 0 40 FEAB COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C(=O)O)[C@@H]2CO)ccc1O 4769474 MAEVGGSLCDAPGW-NJSLBKSFSA-N 374.389 2.112 0 40 FEAB O=C(NCc1coc(-c2cccs2)n1)c1sccc1-n1cnnn1 32833454 MTEICWSNTKLOKY-UHFFFAOYSA-N 358.408 2.370 0 40 FEAB COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 8277295 SIFOIZGAVRRWCA-UHFFFAOYSA-N 363.382 2.146 0 40 FEAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCCN(C)C)cc1 2065394 MFFJBDCSKBQWPF-NBVRZTHBSA-N 355.438 2.427 0 40 FEAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 107714877 DRWDEMAXIWZWPO-WDSOQIARSA-N 355.438 2.013 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2c(s1)CCCCC2 102681715 MDWJBBSYEQHRPQ-GREKMHCPSA-N 371.462 2.158 0 40 FEAB COc1cccc(CNC(=O)CNC(=O)c2ccc(Br)o2)c1 8379208 VLILLHQBAMVYER-UHFFFAOYSA-N 367.199 2.097 0 40 FEAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CCS(=O)(=O)C1 61002658 KUPQEHXYMJCWHZ-CQSZACIVSA-N 353.875 2.170 0 40 FEAB COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 102977458 XGYZDZNXCXHGBV-JDNQWYDXSA-N 366.461 2.481 0 40 FEAB COCCCNC(=O)c1cnn(-c2ccc(OC)cc2)c1-n1cccc1 22574928 VLWLILYXVUXOIY-UHFFFAOYSA-N 354.410 2.438 0 40 FEAB Cc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c(C)c1 100742535 GZYUFWGPSMYRKQ-OAGGEKHMSA-N 350.484 2.374 0 40 FEAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 987728 BCDBLMCTLZLJGK-UHFFFAOYSA-N 361.423 2.325 0 40 FEAB NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 41178998 VGQWZYWEGKZISU-CQSZACIVSA-N 373.409 2.216 0 40 FEAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccccc2)cc1 24014303 ZRFDDZRFVYYEDA-LJQANCHMSA-N 360.479 2.347 0 40 FEAB CC(=O)Nc1ccc2nc(NC(=O)CNC(=O)c3ccco3)sc2c1 24925469 QGZKARXUSVDRPY-UHFFFAOYSA-N 358.379 2.216 0 40 FEAB Cc1cccc(OCCOC(=O)CCNS(=O)(=O)c2ccccc2)c1 25046843 ZMCYBDMYSWQWCG-UHFFFAOYSA-N 363.435 2.286 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 57478877 WSXVEXPDBWLSAP-UHFFFAOYSA-N 361.398 2.413 0 40 FEAB CS(=O)(=O)Nc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 26711079 PTAONWDADAUGNW-UHFFFAOYSA-N 372.332 2.258 0 40 FEAB O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cnccn2)CC1 27634652 RWXAPHNQNBNHFA-LJQANCHMSA-N 364.449 2.192 0 40 FEAB O=C(c1cccc(-n2cnnn2)c1)N1CCCN(CC2CCCCC2)CC1 58264453 RXBAASDQGNXNIF-UHFFFAOYSA-N 368.485 2.391 0 40 FEAB C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCCN(C)C)nc4c3c21 2239850 NLKAPLMAMMWZMX-LLVKDONJSA-N 372.498 2.460 0 40 FEAB O=C(COC(=O)c1cccc(Nc2ncccn2)c1)NCc1ccco1 28132603 CQYWFRPNOAHCPY-UHFFFAOYSA-N 352.350 2.286 0 40 FEAB COc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 36638579 CHNXZXSQUMRYGJ-UHFFFAOYSA-N 354.362 2.490 0 40 FEAB COc1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 12745073 CVIQPVWYEIQYQG-UHFFFAOYSA-N 352.390 2.274 0 40 FEAB COc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1OC 12855971 FVBOAUQOVOSVQA-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(Cl)cc2O)C1 3443260 FTGIHKSKWYFHDE-LLVKDONJSA-N 369.801 2.004 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(CNc2ncnc3c2cnn3C)cc1 12913876 KZYXHHQXACAQEU-UHFFFAOYSA-N 374.470 2.006 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2O1 38773839 SJWBXQCPIKRCBM-FUHWJXTLSA-N 350.374 2.284 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)s2)c1 13732019 XTZMGTFWVOXCNZ-GFCCVEGCSA-N 366.464 2.044 0 40 FEAB Cc1csc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 5101614 ASIQXBMPURYKNS-UHFFFAOYSA-N 351.453 2.121 0 40 FEAB O=C(NCCCN1CCCC1=O)c1cc(C2CC2)nn1-c1ccccc1 14084220 MBJBZSUUZYTPSG-UHFFFAOYSA-N 352.438 2.492 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1nc2cc3c(cc2s1)OCCO3 14167061 FFNWTGVONHTLOR-UHFFFAOYSA-N 367.390 2.451 0 40 FEAB O=C(CCCCCCCC(=O)NC[C@@H]1CCCO1)NC[C@@H]1CCCO1 4656735 PVUIBSVZAWEBBD-IRXDYDNUSA-N 354.491 2.308 0 40 FEAB Nc1cc(=O)n2c(n1)SC[C@H]2CS(=O)(=O)c1ccc2ccccc2c1 14608557 GFLHTUIJIKTSCB-ZDUSSCGKSA-N 373.459 2.099 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccccc2O1 14820705 JEAPKRCDCUFERX-QGZVFWFLSA-N 365.389 2.112 0 40 FEAB CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 67364131 WAGOQXQIAGPYJJ-QZTJIDSGSA-N 371.481 2.031 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)CSc1nccn1-c1cc(C)cc(C)c1 7120438 BRLFSUJXHVPZGY-CQSZACIVSA-N 360.483 2.222 0 40 FEAB COc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)c1 9059886 VQDYLVWNOUJDAP-LBPRGKRZSA-N 352.398 2.217 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCCOc1ccccc1F 7796355 IZRMFFWXARVMJP-UHFFFAOYSA-N 373.388 2.017 0 40 FEAB COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71287661 MRJXXZBGYJDENF-HUUCEWRRSA-N 362.426 2.376 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 16331165 FIWOTNPVMDFIJL-UHFFFAOYSA-N 373.361 2.213 0 40 FEAB CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7998539 FHXUZPJOSYFTDO-UHFFFAOYSA-N 374.462 2.497 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 9315107 AXGGICKPVDDLNS-LLVKDONJSA-N 359.407 2.216 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 9548659 UTLHQNQQVGNBHL-ZDUSSCGKSA-N 359.426 2.127 0 40 FEAB CC[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(c2ncccn2)CC1 9500656 OWQONPAQBMFAAR-MRXNPFEDSA-N 371.510 2.196 0 40 FEAB CO[C@@H]1[C@H](C)[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1(C)C 95987031 AUTBBJXIMNVRFC-UPRAQXHNSA-N 360.454 2.368 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306138108 RPMBZDNEXBKSIX-KBPBESRZSA-N 371.872 2.128 0 40 FEAB COC(=O)c1cc2c(=O)n3c(cc2nc1C)[C@H](c1ccccc1)n1ncnc1-3 22606883 GUKZLRQROWYFEV-KRWDZBQOSA-N 373.372 2.023 0 40 FEAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(C(=O)O)cc1)CC(O)=N2 31819889 WJPMTRFWONSVSX-LBPRGKRZSA-N 365.349 2.498 0 40 FEAB COC(=O)[C@H](CCSC)NC(=O)N1CCO[C@H](c2ccccc2)C1 32105040 WBEGDNOHYBVROF-GJZGRUSLSA-N 352.456 2.064 0 40 FEAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCCC(C)C 409389651 HZJXAOYACUGPMT-UHFFFAOYSA-N 356.488 2.223 0 40 FEAB C[C@H](N)C(=O)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79413110 PKRUQJGLCFNGSD-RDJZCZTQSA-N 359.470 2.373 0 40 FEAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408700268 CCWXSQODDDXZGJ-HNNXBMFYSA-N 368.499 2.355 0 40 FEAB CC(=O)N1Cc2ccccc2OC2(CCN(Cc3cnn(C)c3)CC2)C1 72394390 ZCDYTPCOTASJNI-UHFFFAOYSA-N 354.454 2.196 0 40 FEAB Cc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 36080513 FQSVBHJBOCAZDO-ZWKOTPCHSA-N 364.511 2.164 0 40 FEAB Cc1sccc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 560322041 HPGYGNDQBGUBQL-RHSMWYFYSA-N 358.467 2.415 0 40 FEAB O=C(c1cccc(-n2cccn2)c1)N1CCc2nc3ccccn3c(=O)c2C1 225777535 OGLSUBFCLMSDDH-UHFFFAOYSA-N 371.400 2.079 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(CC)cc2)s1 225811709 BGVDHVWJBCPTET-SNVBAGLBSA-N 368.484 2.489 0 40 FEAB COc1cccc(NC(=O)N2CC[C@@H](CO)N(C)c3cccnc3C2)c1 225497141 WBKJRLLXNAOZEK-HNNXBMFYSA-N 356.426 2.325 0 40 FEAB biogenic,in-vitro COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCCO2 49705969 YUJDPYUYHGMSLH-UHFFFAOYSA-N 355.456 2.230 0 40 FEAB CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 40373242 XCDVXOUJHSIACL-IBGZPJMESA-N 350.503 2.204 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225738631 BMRMWPYOOYRXEI-CQSZACIVSA-N 352.394 2.270 0 40 FEAB CC(=O)N1CCN(Cc2ccccc2NCc2ncnn2C(C)C)CC1 577789766 JRATXFKUPUNABX-UHFFFAOYSA-N 356.474 2.135 0 40 FEAB Cc1ccc(N2CCC[C@]3(CN(C(=O)c4ccsc4)CCO3)C2)nn1 96226558 DRUFIOKVZDWYLC-GOSISDBHSA-N 358.467 2.358 0 40 FEAB CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)CCSC)N1Cc2ccccc2C1=O 230202685 ORTSWYHOSRKNNC-LXZKKBNFSA-N 364.511 2.287 0 40 FEAB biogenic COc1cc2nc(C)n(CC(=O)Nc3ncc(C)s3)c(=O)c2cc1OC 96118706 LBGGMJOPRZOVFZ-UHFFFAOYSA-N 374.422 2.126 0 40 FEAB COCCNC(=O)[C@H]1C[C@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96144466 HSHOYCSVJGFYTQ-IFMALSPDSA-N 366.461 2.496 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3cc(C)on3)CC2)CN1c1ncccn1 96208624 NZTMBBKWELAZLF-KRWDZBQOSA-N 357.458 2.281 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2[C@H](COCc2ccccn2)C1 247885104 WQFWYUVRRBEVLU-IBGZPJMESA-N 355.438 2.410 0 40 FEAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)COc1ccc(C)cc1)CC2 247881767 QCGKAOLNFSCLOL-GOSISDBHSA-N 374.481 2.107 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1 253477696 HDPXUQAAUAXSTP-INIZCTEOSA-N 356.426 2.001 0 40 FEAB Cc1ncc(CN2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 257271459 MYKRVMFFWXPFLG-KRWDZBQOSA-N 368.466 2.459 0 40 FEAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cc4cccnc4)C[C@@H]32)cn1 257208102 BKTLYIOWTCAFEF-FGTMMUONSA-N 351.454 2.096 0 40 FEAB CCCn1ccc(C(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)n1 257255565 KHYVVYVUJSOFBW-OAHLLOKOSA-N 354.414 2.409 0 40 FEAB COc1cccc(N2C[C@@H](Cc3ccccc3)N(CCC(=O)O)CC2=O)c1 92096480 TZNWUDSLXDGMMG-GOSISDBHSA-N 368.433 2.430 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)C(=O)NCc2ccco2)c1C 1120485574 PEQSUYJISTYVQY-IRXDYDNUSA-N 360.454 2.239 0 40 FEAB Cc1nnc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)n1C 640544940 HZRXIZLOILCMCB-UHFFFAOYSA-N 371.338 2.244 0 40 FEAB CN1CCc2cc([C@H](O)CNS(=O)(=O)c3ccccc3Cl)ccc21 96362650 FZWDWCLHEYGKBW-MRXNPFEDSA-N 366.870 2.344 0 40 FEAB O=C(NCc1cn(-c2ccncc2)nn1)c1cccc(OC(F)(F)F)c1 390830575 LXTSSFBHMSMEGX-UHFFFAOYSA-N 363.299 2.491 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 585101434 NLHVERGGCMAPMK-UHFFFAOYSA-N 351.410 2.471 0 40 FEAB CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2cccc(F)c2)C1 585283611 SMJSHPICNIBQKI-IBGZPJMESA-N 350.434 2.042 0 40 FEAB C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111477 BEVLEBHAUXDDBG-WBAXXEDZSA-N 355.438 2.086 0 40 FEAB COc1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3C)C2)cn1 585276689 OYCPSQHHVZNVSW-HXUWFJFHSA-N 356.422 2.445 0 40 FEAB Cc1ccc2oc(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)cc2c1 685942323 IOPWWVWDLMDGOP-RRFJBIMHSA-N 354.410 2.154 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)C2=O 65567052 SZWIZANZJNTQQW-NRTGNBEESA-N 374.441 2.021 0 40 FEAB CN(C)c1cccc(S(=O)(=O)N[C@H](CC(=O)O)c2cccs2)c1 670324768 CGUWUSIUUJKNHB-CYBMUJFWSA-N 354.453 2.308 0 40 FEAB COC1CC(C(=O)NC2(CN3CCN(c4ccc(F)cc4)CC3)CC2)C1 1616042719 RENMMROMOQCOQC-UHFFFAOYSA-N 361.461 2.022 0 40 FEAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN1S(C)(=O)=O 5001613 SYGZPCVFNPTSDV-ZDUSSCGKSA-N 352.485 2.204 0 40 FEAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CC2)C1=O 12241964 HQXAXWQHYZFZOO-OAHLLOKOSA-N 368.389 2.293 0 40 FEAB O=C(CSCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1 12323538 HGCBPEDGFVOYOQ-UHFFFAOYSA-N 356.407 2.167 0 40 FEAB O=C(c1cc(F)ccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407158 NJPUCAOTJLSYPH-CQSZACIVSA-N 370.363 2.318 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)c1OC 19567275 SJEMQJIDANUCGM-GFCCVEGCSA-N 367.409 2.390 0 40 FEAB COc1ccccc1CN1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 19570425 BEHMYMYHXSXSHC-HNNXBMFYSA-N 365.441 2.051 0 40 FEAB CCc1nccn1[C@H](C)C(=O)N1CCC(c2cc(CN(C)C)[nH]n2)CC1 19708939 HHHDZPJVXSKWIE-CQSZACIVSA-N 358.490 2.197 0 40 FEAB COc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)NC1=S 8091266 IYZAVBRFDSGILU-ZRDIBKRKSA-N 371.418 2.186 0 40 FEAB O=S(=O)(NN/C=N/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 4489046 RAPNRADYNWBCTL-UHFFFAOYSA-N 367.814 2.254 0 40 FEAB C[C@@H](c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889108897 QXOYYRYHRRYWMQ-KRWDZBQOSA-N 353.470 2.196 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 21348315 KBMAKKMTPFZUEU-UXLLHSPISA-N 360.454 2.351 0 40 FEAB COC(=O)C1(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CCCCC1 25169988 QFRISYWAHCXWNF-UHFFFAOYSA-N 357.410 2.162 0 40 FEAB COc1cccc2cc(C(=O)NC[C@H]3COc4ccccc4O3)c(=O)oc12 28881209 DQPASDZFLKTJCH-ZDUSSCGKSA-N 367.357 2.371 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1 2720240 AISUNZYVWYJZET-UHFFFAOYSA-N 372.406 2.455 0 40 FEAB Cc1ccn2c(=O)c(C(=O)N[C@@H](C)CCc3ccccc3)c(O)nc2c1 17143848 CWWOPDBCYMXJLE-AWEZNQCLSA-N 351.406 2.460 0 40 FEAB O=C(C1CC=CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745837 GVFWSQIBCHQCTA-UHFFFAOYSA-N 360.483 2.161 0 40 FEAB COc1cc(C(=O)N2CCC[C@]3(COCCN(c4ccccc4)C3)C2)on1 2055815394 GDXYMEHFQMAOOD-HXUWFJFHSA-N 371.437 2.442 0 40 FEAB Cn1c(N2CCC[C@@H](COc3ncccn3)C2)nc2ccccc2c1=O 1775970102 BEISYLVLIACVNH-CQSZACIVSA-N 351.410 2.019 0 40 FEAB CN([C@@H]1CCCN(c2nc3cnccc3s2)C1)S(=O)(=O)C1CC1 2086889590 YAMVNHGDGVSPJI-LLVKDONJSA-N 352.485 2.084 0 40 FEAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc(C)c(Cl)c2)CC1 43956851 TXKMHWJLDCZRHC-UHFFFAOYSA-N 360.863 2.405 0 40 FEAB CCOc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19520125 YNQXSUSEXOVRRJ-KRWDZBQOSA-N 352.438 2.498 0 40 FEAB CC[C@H](C)n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 17014298 XWJGEPHQRHMSAS-APPDUMDISA-N 368.437 2.272 0 40 FEAB biogenic O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CCCN1C(=O)c1ccco1 40052062 CVEZDBBNFSDRGD-CQSZACIVSA-N 351.366 2.104 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 40135446 DMULHPKPWYTLES-GFCCVEGCSA-N 373.406 2.213 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 11637573 ISXKTXFZYLGKGX-UHFFFAOYSA-N 363.826 2.475 0 40 FEAB Cc1cnc(C(=O)Nc2cc(Br)ccc2-n2cncn2)cn1 51987354 QRAUZMFJBLUKAZ-UHFFFAOYSA-N 359.187 2.381 0 40 FEAB CCn1cc(CN(C)C(=O)Cn2cc(Br)c(C)n2)c(C)n1 2777507 JVSVSYSCFPIMHF-UHFFFAOYSA-N 354.252 2.137 0 40 FEAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O 3906552 XFHZIYLPFZYWSQ-UHFFFAOYSA-N 366.421 2.205 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32768578 HDBHINRMAGIPIY-AWEZNQCLSA-N 365.451 2.121 0 40 FEAB Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)c1 21437091 JXUWMUWMXZYBNA-UHFFFAOYSA-N 373.403 2.352 0 40 FEAB Cc1cccc(N2CCN(CCNC(=O)c3cccc4cn[nH]c34)CC2)c1 32827681 IWGYZCXZRCYMIR-UHFFFAOYSA-N 363.465 2.423 0 40 FEAB COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC 2628760 XRYHWBQNTJUJLS-UHFFFAOYSA-N 350.396 2.054 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@H](C)n3ccnc3)nn2c(O)c1C 100138835 QJUFVMRCRFDAIP-DZGCQCFKSA-N 354.414 2.173 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)n2cccc/c2=N\C2CCCCC2)CC1 21900381 ABLRDKDJNPOJTH-HTXNQAPBSA-N 365.499 2.033 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(-c2nnco2)c1 103032691 KHCIZIINFSCYJX-GJZGRUSLSA-N 368.393 2.240 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nncn2C)c1 22556608 QWZMHUMZKIHCSI-WDEREUQCSA-N 350.444 2.190 0 40 FEAB CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 53645882 COQJRNCHWBVAFB-UHFFFAOYSA-N 351.255 2.101 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 22683124 JZBQOEAKNHFYIH-ZWKOTPCHSA-N 356.397 2.326 0 40 FEAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1I 42337465 ISKXTHIOAUNGMN-LBPRGKRZSA-N 373.190 2.459 0 40 FEAB CCN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)c1cc(C)ccc1C 59920900 COVSWWWCHQLWPP-UHFFFAOYSA-N 371.462 2.395 0 40 FEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccccc2)C1 12441590 RKMYHSWLYCMBKQ-GOSISDBHSA-N 361.419 2.220 0 40 FEAB COCCOc1ccccc1CNC(=O)NCc1ccc2c(c1)OCO2 59893502 PPMPMLUQDKIXDZ-UHFFFAOYSA-N 358.394 2.440 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1Cl 26100257 LZKJECCPDCFCQI-AATRIKPKSA-N 356.875 2.202 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cc2c1OCCO2 57115615 RMNIQUPRYCECBQ-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB NC(=O)CCN(C(=O)CSc1ncc2ccccn12)c1ccccc1 12540775 RXOKVTHLRJABFJ-UHFFFAOYSA-N 354.435 2.335 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 109051174 PENZGXZYFOBERB-QZTJIDSGSA-N 369.465 2.232 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(S(C)(=O)=O)cc2)o1 58202983 JLTGVYHASFJLJR-UHFFFAOYSA-N 364.467 2.196 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)o1 58215578 KNLDWPRBXLDEQM-UHFFFAOYSA-N 350.440 2.204 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)nn1 58232293 SOXQRWOICWARPY-IBGZPJMESA-N 369.469 2.418 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccnc1N1CCCCC1 58264919 UGHTUVPNHZYVHM-UHFFFAOYSA-N 363.425 2.229 0 40 FEAB COC(=O)N1CCC(NC(=O)c2ccc(Br)cc2O)CC1 58218929 RUDOPFPDZPNMCR-UHFFFAOYSA-N 357.204 2.115 0 40 FEAB COC(=O)N1CCC(NC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 58309222 VCUXSYIVTPTLDO-GFCCVEGCSA-N 365.430 2.295 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ncc(C)s3)CC2=O)c(OC)c1 10556241 KFHOCVOFFRHUQL-LLVKDONJSA-N 361.423 2.460 0 40 FEAB NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 3332114 KGXMCRWGUJFLKB-UHFFFAOYSA-N 372.855 2.303 0 40 FEAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1S(=O)(=O)N1CCCC1 408697922 MURINJXGWFNZFM-ZDUSSCGKSA-N 354.472 2.398 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 45491264 SGEIMHSZRCQZDM-MRXNPFEDSA-N 360.458 2.167 0 40 FEAB COn1c(SCC(=O)OCc2ccccc2)nc2ccccc2c1=O 2440840 DOGZBHFHZWQNGC-UHFFFAOYSA-N 356.403 2.290 0 40 FEAB CN(C)S(=O)(=O)c1cccc(CSc2nc(CC(=O)O)cs2)c1 12890772 ASUWIAUFCRTUGV-UHFFFAOYSA-N 372.493 2.313 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 3461518 NBZSXIINPQZSSX-HXUWFJFHSA-N 367.405 2.409 0 40 FEAB CCOc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1OC 3540015 YACJPNJEBFBIOH-UHFFFAOYSA-N 351.447 2.150 0 40 FEAB COc1ccccc1/C=c1\sc2nc(-c3ccccc3OC)nn2c1=O 13145047 VFOWTBWNNOVCPH-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(C)c1 69343169 YAEHVMJHRDFKLS-HUUCEWRRSA-N 355.456 2.083 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8628431 KGUGBLQHUHGVRC-AWEZNQCLSA-N 367.453 2.403 0 40 FEAB O=C(c1ccc2nccnc2c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 8395556 NLTGQBOSMXEKHB-AWEZNQCLSA-N 371.418 2.052 0 40 FEAB Cc1cc(F)cc(C(=O)O)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 63879151 YCOJJTWVXWJAHC-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB O=C(Cn1ccccc1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 39996877 RWNYSXADTABQJT-UHFFFAOYSA-N 359.857 2.283 0 40 FEAB Cc1cc(C(=O)NCCc2ccc3c(c2)OCO3)c2c(C)nn(C)c2n1 24469619 XCHUMJYSAPSJLD-UHFFFAOYSA-N 352.394 2.286 0 40 FEAB Cc1nc(S)sc1CC(=O)NCc1ccccc1N1CCOCC1 65881855 KLQMOJQJOBXTMY-UHFFFAOYSA-N 363.508 2.436 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2F)C1 20017627 YSVAEHXPYVZCKU-VIFPVBQESA-N 350.362 2.104 0 40 FEAB O=C(CCn1cc(Br)cn1)N1CCN(c2ccccc2)CC1 27968847 NSIMKQVIDORDCW-UHFFFAOYSA-N 363.259 2.385 0 40 FEAB COCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)n(C)c(=O)n2C 7636140 DDRULSCKNAANSX-UHFFFAOYSA-N 363.801 2.209 0 40 FEAB CCCCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1 8914170 HDRREHDEROOWBY-UHFFFAOYSA-N 369.468 2.302 0 40 FEAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)nc1 84069752 YYHKOWYXCNIMTF-SECBINFHSA-N 364.199 2.349 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 9314632 WMCHGAUTVXQNKO-OCCSQVGLSA-N 350.440 2.193 0 40 FEAB Cc1ccc(-c2nc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cs2)cc1 9450635 SJMHMSTWYKJDLK-ZDUSSCGKSA-N 350.465 2.378 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(Cn2cccn2)c1 97044177 PEADEKSOAPBFCY-CALCHBBNSA-N 366.421 2.045 0 40 FEAB Cc1ccc(N2C(=O)[C@](NC(=O)C3CC3)(C(F)(F)F)N=C2O)cc1C 9576055 FIXGYMSMAUSFHC-OAHLLOKOSA-N 355.316 2.349 0 40 FEAB O=C(N[C@H](C(=O)O)c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 95464110 UJCDABWONJGDHC-INIZCTEOSA-N 372.331 2.160 0 40 FEAB C[C@@H]1Sc2ccccc2N(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1C 75106258 GBXBJPRSBYLCBJ-GJZGRUSLSA-N 373.522 2.457 0 40 FEAB O=C(CNc1cccc(Br)c1)N1CCC2(CC1)OCCO2 89774432 SSBJTAMRAABYAI-UHFFFAOYSA-N 355.232 2.227 0 40 FEAB CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 67364132 WAGOQXQIAGPYJJ-MSOLQXFVSA-N 371.481 2.031 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1F 32589417 VZASWECQXWPSEM-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCOCC1)c1ccc(F)cc1 408535390 SNQHNEKYMYHUPT-UHFFFAOYSA-N 356.357 2.497 0 40 FEAB Cc1nc(-c2cccc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c2)no1 128837030 AZOBHQBOKXNCJF-CXAGYDPISA-N 358.423 2.438 0 40 FEAB CCc1nnc(S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)O)o1 214860789 JLPCXKGINRBPPP-LUAWRHEFSA-N 351.384 2.279 0 40 FEAB O=C(NCCc1ccc(O)cc1)c1c(-n2cnnn2)sc2c1CCCC2 524732392 YGVDFNSVXPVMBM-UHFFFAOYSA-N 369.450 2.281 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1F 72241552 SPTSVDGJFKVJMX-ROUUACIJSA-N 360.360 2.180 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)c1 36071067 VMZDROVYGAAEGQ-SFHVURJKSA-N 370.474 2.434 0 40 FEAB Cc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393158 DLKSFSGDGXODSF-KRWDZBQOSA-N 362.437 2.310 0 40 FEAB CCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 72402388 LSJIGXNUVDUHNR-LLVKDONJSA-N 368.484 2.131 0 40 FEAB CC(C)N(CC(=O)O)CC(=O)N[C@@H](C)c1ccc(Br)cc1 37995082 FMJZENKAOYTBJF-NSHDSACASA-N 357.248 2.421 0 40 FEAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CCCO2)cc1OCC 32966669 LEHOXTKWQQOOGJ-HNNXBMFYSA-N 350.415 2.060 0 40 FEAB O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@@H]1C[C@]12CCOc1ccccc12 558954230 OIYIXUJXMSLJEU-JXFKEZNVSA-N 361.405 2.469 0 40 FEAB CN([C@@H](C(=O)NCCSC(C)(C)C)c1ccccc1)S(C)(=O)=O 225885183 NYMOYXOSIKGEDD-CQSZACIVSA-N 358.529 2.267 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NC)cc1 223277348 FVYJAOLVHIGGOZ-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB CC[C@H](C(=O)NCc1nc(C)cc(N2CCOCC2)n1)c1ccccc1 224179340 ZAQMJSBGYKBJAP-KRWDZBQOSA-N 354.454 2.432 0 40 FEAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 44904191 JRSDFISIEZPNDX-AWEZNQCLSA-N 372.446 2.325 0 40 FEAB NS(=O)(=O)c1ccc(N2CCC[C@]3(CC=CCC3)C2)c(C(=O)O)c1 582490725 DHUCILFBBIJCHB-QGZVFWFLSA-N 350.440 2.359 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96049253 LZAWZIVVBVPKAO-UHFFFAOYSA-N 357.435 2.181 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2cc[nH]n2)s1 577526231 ZIXDDRGALVAADB-ZDUSSCGKSA-N 368.484 2.312 0 40 FEAB Cc1nnc2ccc(SCC(=O)N3CCO[C@H](c4ccccc4)C3)nn12 96117600 YVDMPFWABCMGGY-HNNXBMFYSA-N 369.450 2.125 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCCN(C)C)C2)o1 96065025 XBVWMCKJGOVCFR-HKUYNNGSSA-N 350.459 2.178 0 40 FEAB Cc1nc(C)c(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)s1 96098603 JJDWIBBHBBNXJX-UHFFFAOYSA-N 360.487 2.171 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)C3CCCC3)C2)C1 96074342 OJGNTFPJBPIRLZ-LJQANCHMSA-N 356.426 2.348 0 40 FEAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccccc1 96519938 LONMSSTWYRDACA-RKDXNWHRSA-N 360.600 2.092 0 40 FEAB CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)CC1 96057545 SOZMYFMYYOLXQP-GUDVDZBRSA-N 350.503 2.293 0 40 FEAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)s1 96225598 VTNUKWBHKKTKNE-KSSFIOAISA-N 363.483 2.073 0 40 FEAB O=S(=O)(c1cccs1)N1CCCn2cnc(CN3CCCC3)c2C1 96259332 JUANCKHTHMVTPK-UHFFFAOYSA-N 366.512 2.135 0 40 FEAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257205630 AZYLCOQHARWZNX-CLUDHOEWSA-N 370.497 2.042 0 40 FEAB CCCn1ccnc1CN1CCC(c2nccnc2CNC(C)=O)CC1 257266395 MCVJJYUZEDXHQW-UHFFFAOYSA-N 356.474 2.099 0 40 FEAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N[C@H](C)c2cccnc2)c1 257321165 WAJFKSFNVCLZMI-CQSZACIVSA-N 363.421 2.394 0 40 FEAB Cc1ncsc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257301976 SAVSXYBHMTZZQI-LBPRGKRZSA-N 352.485 2.123 0 40 FEAB COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)c1cnn(C)c1 257275528 NPTXQKXMVORQJC-MRXNPFEDSA-N 351.410 2.331 0 40 FEAB COc1ccc(Cl)cc1/C=C\C(=O)N(CC(=O)O)C1CCOCC1 584908001 JPBWOUHZXAVYIJ-DJWKRKHSSA-N 353.802 2.454 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(c2nc(C)cc(OC)n2)CC1 592209632 MVBDWOUADQKMEJ-UHFFFAOYSA-N 369.469 2.117 0 40 FEAB COc1cc(N[C@H]2CCCN(C(=O)C3(C(=O)O)CCC3)C2)cc(OC)c1 663046013 OLXKVQYREKABJA-ZDUSSCGKSA-N 362.426 2.362 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCc2ncc(-c3cccnc3)n2CC1 585111251 LGUIRRQWBZLZSX-UHFFFAOYSA-N 362.389 2.372 0 40 FEAB O=C(N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1)c1ccc(F)cc1 685942342 OSQWMSFUZTZFNB-BJJXKVORSA-N 358.373 2.129 0 40 FEAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc2cc[nH]c(=O)c2s1 648885808 QPMUEVHEDUUFRZ-LLVKDONJSA-N 358.423 2.469 0 40 FEAB Cc1nc(C)n(C[C@@H]2CN(Cc3cccc4c3OC(F)(F)O4)CCO2)n1 571053993 UTIUONSMMXCCBY-AWEZNQCLSA-N 366.368 2.117 0 40 FEAB O=C(c1cscn1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156593 JOTTYNKZNRQYEP-GOSISDBHSA-N 357.435 2.181 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)N3CCOCC3)C2)on1 12118462 YNEIDFJCKUQANE-HNNXBMFYSA-N 371.441 2.380 0 40 FEAB CCc1ncnc(N2CCC(CN(C)c3nccnc3OC)CC2)c1F 1776009705 NXTMCRSYYUTFPJ-UHFFFAOYSA-N 360.437 2.330 0 40 FEAB Cc1cc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)ccn1 2037978358 RNLJVKBULYRODE-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCN3CCCCCC3)c(S)nc2c1 12415770 UZOGDFUBWOEDHO-UHFFFAOYSA-N 361.467 2.348 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(C)cc2)c(OC)c1 17052228 LBMLEPAKMBZQSL-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB COc1ccc(S(=O)(=O)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 23126274 OFERYDCDLBJTPV-UHFFFAOYSA-N 374.374 2.448 0 40 FEAB O=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 225627657 YUABPFYSWACUIN-DYVFJYSZSA-N 371.824 2.435 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1 44356823 UNJMIXVDWYZHNE-ZDUSSCGKSA-N 351.453 2.173 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1)C(=O)OC 20760654 AZAXPLJJQQAZRH-ISTRZQFTSA-N 371.441 2.050 0 40 FEAB biogenic Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(C)C)C2)n(-c2nc3ccccc3[nH]2)n1 2332241718 XFQSRSNELJECFS-IAOVAPTHSA-N 354.458 2.447 0 40 FEAB CC(C)(C)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316727 QIDTUSCFMMHQRK-UHFFFAOYSA-N 357.439 2.116 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 861984 BNGMPKADJORIID-RDJZCZTQSA-N 370.405 2.406 0 40 FEAB biogenic C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NC1CCCC1 1328856 GQRLEQSJZNQVPL-NHYWBVRUSA-N 362.451 2.480 0 40 FEAB COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc1 20745162 BTLDIISQQUBSNT-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB COC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(C(=O)OC)c1 2501313 CXBNKACKARSHMG-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)OCc1nnc(-c2ccco2)o1 32636276 ROYMSOGAMUGWEH-UHFFFAOYSA-N 362.363 2.237 0 40 FEAB CCCCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 6397736 CXQJUXUIQVOTMV-OAHLLOKOSA-N 369.483 2.410 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)o1 2647288 WVCYIBIQAFDULY-IBGZPJMESA-N 354.362 2.350 0 40 FEAB CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C 21605085 XDGDBVRPGQKWSU-LBPRGKRZSA-N 360.410 2.103 0 40 FEAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OCc1ccccc1 69752418 OQRBLAXHDFXVDW-LJQANCHMSA-N 364.401 2.206 0 40 FEAB CC(C)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 32957824 PDJKRQCDNOLTFL-UHFFFAOYSA-N 354.403 2.134 0 40 FEAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccc(Cl)c1 8851167 BNQRPETXCGWYNP-UHFFFAOYSA-N 367.858 2.058 0 40 FEAB CCc1noc([C@H](C)N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 69026157 FTNHPFYZTZXHOE-NSHDSACASA-N 350.369 2.429 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)COc2ccc(F)cc2)C1 57994233 FZOMNYJCMSRRTD-KBPBESRZSA-N 351.422 2.151 0 40 FEAB COc1ccc(-c2nc3cc(N4C[C@H](C(N)=O)CC4=O)ccc3o2)cc1 57327207 QNWCBCCFRQTWTB-GFCCVEGCSA-N 351.362 2.342 0 40 FEAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN([C@H]1CCS(=O)(=O)C1)C3 57140126 LKZRIWCBCKHVCI-JTQLQIEISA-N 369.826 2.094 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 23389392 GFMXQLFUXNISAE-MRXNPFEDSA-N 367.449 2.412 0 40 FEAB Cc1cc(C)nc(SCC(=O)Nc2cccc(N3CCNC3=O)c2)n1 47384041 HVEGFUKHVYPXJJ-UHFFFAOYSA-N 357.439 2.354 0 40 FEAB C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@H]2[C@@]2(CO2)[C@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 100061847 SZSNPNCTSHASFJ-HYKFKRSKSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cn2cncn2)cc1 25184673 KTDVZGRWSVTJAL-UHFFFAOYSA-N 362.389 2.316 0 40 FEAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1 3018279 OPBUNDRSCWISCG-ATVHPVEESA-N 368.389 2.057 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 25283264 JPBSORZRWUTSKA-VLIAUNLRSA-N 373.453 2.371 0 40 FEAB N#C[C@H](C(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 3187757 BLAKKOCHXXKWEV-CQSZACIVSA-N 355.354 2.168 0 40 FEAB O=C(NCCc1ccc(F)c(Br)c1)NCC(=O)N1CCCC1 56374661 CDHOQSPXCJMHRX-UHFFFAOYSA-N 372.238 2.052 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1c(F)cccc1F 57120497 OFZBHSXFAMHFNB-UHFFFAOYSA-N 357.334 2.497 0 40 FEAB O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCN(c2ccccc2)CC1 57511427 PEAIKVIFBPTUAM-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 3249362 CIBZIXAOWPLMFU-MRXNPFEDSA-N 373.840 2.020 0 40 FEAB COc1cc(CNS(=O)(=O)N2CCC[C@H](C)C2)ccc1OC(F)F 27960063 LUSALITZWJWCAH-NSHDSACASA-N 364.414 2.363 0 40 FEAB O=C(c1cccc(N2CCNC2=O)c1)N1CCO[C@@H](c2ccccc2)C1 48234892 HHOYXZGOBRXHEM-GOSISDBHSA-N 351.406 2.430 0 40 FEAB CCCNC(=O)CN(C)C(=O)CSc1nnc(-c2ccccc2C)o1 8333194 HCMRSVJBLBDFQZ-UHFFFAOYSA-N 362.455 2.122 0 40 FEAB CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)OC 8315326 NJJUOZMDQLAEEV-NHYWBVRUSA-N 359.426 2.042 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)C)Oc3ccccc32)cc1 13845170 ONJXSKGTUZQOSV-GOSISDBHSA-N 374.462 2.476 0 40 FEAB C[C@H]1CN(CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 13987618 ZHDKMUXSZSGCKS-HYMPGDJLSA-N 363.502 2.280 0 40 FEAB COC(=O)c1sccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 14071414 OMIFHJHJQBHXQA-QWRGUYRKSA-N 364.423 2.039 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(C(C)C)CC3)ccc12 14120986 FYZSUZUWRUUJFW-UHFFFAOYSA-N 358.438 2.469 0 40 FEAB O=C(CN1CCc2ccccc2C1)NCC1(N2CCOCC2)CCCCC1 14242642 AAMOWDVZYJCXQH-UHFFFAOYSA-N 371.525 2.196 0 40 FEAB COc1cc(C(=O)NCCc2nnc3ccccn23)cc(Cl)c1OC 6662304 ZQYNCTQPXMOJAJ-UHFFFAOYSA-N 360.801 2.372 0 40 FEAB O=C(NCCONC(=O)c1c(F)cccc1F)c1c(F)cccc1F 5670437 GUTQZKVUMCVDSF-UHFFFAOYSA-N 356.275 2.334 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)CCCNC(=O)C2CC2)c1C 69604232 IPMACZDQVGUJOC-UHFFFAOYSA-N 366.483 2.032 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1 69602654 PKWDERXOXKKZCV-YCRREMRBSA-N 359.403 2.148 0 40 FEAB CCCNC(=O)[C@@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2O1 7276445 JFVFUFAEGOORCE-SFHVURJKSA-N 359.470 2.229 0 40 FEAB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1COc2ccc(F)cc2C1 90395178 OUKRULHUHSNQGC-AWEZNQCLSA-N 357.385 2.247 0 40 FEAB COc1cc(CC(=O)NCCN(C(C)C)C(C)C)cc(OC)c1OC 7800562 FWGQZOWZJJXOSO-UHFFFAOYSA-N 352.475 2.490 0 40 FEAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(O)cc1 9060595 JOBOUVZAFMULHY-GOSISDBHSA-N 373.434 2.461 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)no1 9058034 UMYKBQWLIYJWME-LJQANCHMSA-N 370.409 2.415 0 40 FEAB COC[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 9194629 ZTHZQTXQCRJEMG-CQSZACIVSA-N 362.451 2.276 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@](C)(CO)C3CC3)s2)cc1 96007196 IOEQDMFEQIATCX-GOSISDBHSA-N 360.483 2.027 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 9479512 QLRLWMAUBMUGOW-FQEVSTJZSA-N 367.405 2.151 0 40 FEAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@H]1NCCc2[nH]cnc21 72423478 WOGIRUJXDPODMN-KRWDZBQOSA-N 359.380 2.023 0 40 FEAB COc1cc(C(=O)NCc2ccccc2OCC(=O)O)cc(OC)c1C 95425349 MAUDPEVYJUXJDL-UHFFFAOYSA-N 359.378 2.406 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 79092486 DIZLVJXQBSTYGE-CMPLNLGQSA-N 372.874 2.030 0 40 FEAB C[C@H](O)c1cn(C2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)nn1 95998102 LHGCAKYSVBLKPV-VIFPVBQESA-N 355.225 2.264 0 40 FEAB COc1ccc(CN[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 89478807 NJQSDFAVLLPDMK-ZDUSSCGKSA-N 372.421 2.227 0 40 FEAB COc1cc(NC(=O)Cn2nc3c(cc2=O)C[C@H](C)CC3)cc(OC)c1 21110497 AUWVICWJPXWVAK-GFCCVEGCSA-N 357.410 2.024 0 40 FEAB Cc1noc(CN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)n1 301101138 LQHPBWAHVKHIDP-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB CN1CCN(c2cc3[nH]c(O)nc3cc2NC(=O)c2ccc(F)cc2)CC1 408526360 BDVRHNRPDPLEIK-UHFFFAOYSA-N 369.400 2.412 0 40 FEAB CC(C)(C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325416 UYXXEXRGMJNDQB-NSHDSACASA-N 367.496 2.500 0 40 FEAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]n1)N1CCOCC1 72380525 TWCRDULNNKDWPE-MRXNPFEDSA-N 372.444 2.401 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccccc2)C1(CO)CO 218060426 OLZSWVYYVAOEAL-JKSUJKDBSA-N 352.839 2.251 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217528385 CKLAFZOANOWPSB-NWDGAFQWSA-N 358.460 2.299 0 40 FEAB CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO 72321459 PZPBRNSAUWOSOT-SJLPKXTDSA-N 355.394 2.221 0 40 FEAB biogenic,in-vitro NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218663640 KVNGUSYHLWIQQR-JYJNAYRXSA-N 354.834 2.075 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)C(C)C 225232846 ZZZXDJVMRNATIX-CYBMUJFWSA-N 356.488 2.039 0 40 FEAB Cn1nc(CC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c2ccccc21 567342837 IAFXDOLTNYFHPK-ZDUSSCGKSA-N 351.410 2.392 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(F)c1 192585075 JAQIAHHLQQRLSQ-OAHLLOKOSA-N 370.490 2.448 0 40 FEAB COc1ccc2c(c1)CN(C(=O)c1ccncc1)CC[C@H]1COC(=O)N21 225491673 OZRSOOSFVVEADS-HNNXBMFYSA-N 353.378 2.462 0 40 FEAB biogenic,in-vitro COc1cccnc1NC(=S)NCc1ccccc1CN1CCOCC1 225779098 ANPOCBIIGCVZOX-UHFFFAOYSA-N 372.494 2.409 0 40 FEAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223298088 AWKLZWSKLKKCGA-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccccc4C)C[C@@H]32)N=C1C 96261513 TXHCHQLQJCZBJD-SVFBPWRDSA-N 355.482 2.483 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)CC2CC2)C1 96244545 ILUDAYLRAZNVFQ-FQEVSTJZSA-N 356.470 2.407 0 40 FEAB CCn1ccnc1[C@H](Nc1nc(C)nc2c1cnn2C)C1CCOCC1 583617517 KLLSPURHPODEEL-OAHLLOKOSA-N 355.446 2.468 0 40 FEAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCCN4CCCC4)C[C@H]32)s1 96055590 GNMKIXPNWJPOMV-KURKYZTESA-N 363.527 2.000 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc(OC)nn3)C2)cc1 95474603 SSFOWGRDPRSDJU-INIZCTEOSA-N 370.453 2.069 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21)c1ccncc1 247387628 KSFORJWGZYBXSC-ZHALLVOQSA-N 355.413 2.098 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3ccccc3)CC2)C[C@]1(C)CO 257313600 UTICMTBXXJKUJN-NDDJGDGRSA-N 356.466 2.312 0 40 FEAB NCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)cc1 257307271 SXYKGKOLDWXWLN-ACRUOGEOSA-N 365.477 2.242 0 40 FEAB CN(C)c1nc([C@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257328856 XHJQTNKJEMPWGJ-HXUWFJFHSA-N 364.453 2.384 0 40 FEAB CCc1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 599304706 UGVFPOUFLNJRDY-UHFFFAOYSA-N 362.433 2.495 0 40 FEAB COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)n1 567870906 XCLOFHKYPFXQSQ-SECBINFHSA-N 371.390 2.037 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CC(F)(F)C3)C2)c1 575403400 HUBYCPVTMZZSHT-MRXNPFEDSA-N 374.391 2.303 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575403798 OFCSWNACNBBBLY-OAHLLOKOSA-N 371.437 2.470 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)cc1 585278020 ZWVOIWYXOSZRHN-HXUWFJFHSA-N 353.422 2.318 0 40 FEAB CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 53667683 MJIJEWAGMZFKLS-UHFFFAOYSA-N 351.255 2.101 0 40 FEAB CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594942 IWQULIXAYWHBHJ-XRXFAXGQSA-N 374.525 2.185 0 40 FEAB Cc1cc2n(n1)C1(CCN(Cc3ccn(C)n3)CC1)CC(=O)N2CC1CC1 1772596492 MFYBYXDFUGTKTG-UHFFFAOYSA-N 368.485 2.063 0 40 FEAB CSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C(C)C 5001355 BYHIIYJYCKNODY-UHFFFAOYSA-N 353.492 2.213 0 40 FEAB O=c1ccc2ccc(OS(=O)(=O)c3ccc4c(c3)OCCO4)cc2o1 5863478 LGSFIHALWPYGNZ-UHFFFAOYSA-N 360.343 2.332 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CC=CCC1 12146578 XREHSEQQUCKSCI-MDYRTPRTSA-N 358.486 2.089 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)N2C=C1 12205149 BBDADGHXQMSZFR-XGHQBKJUSA-N 372.513 2.334 0 40 FEAB O=C(CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCCC1 12235957 QFLNYJBOKGHDAQ-QGZVFWFLSA-N 372.513 2.162 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccc(OC)cc1 14032577 QKMRJWIXTZHFGW-AWEZNQCLSA-N 359.451 2.168 0 40 FEAB O=C(CNc1ccc(F)c(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 16313269 ZRTRDCAQMLKPHS-UHFFFAOYSA-N 368.796 2.177 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)C1 19711105 WVRBRJUNMMODHY-KRWDZBQOSA-N 373.501 2.317 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 19347569 CUDNLIAGXZCUCA-AWEZNQCLSA-N 366.400 2.427 0 40 FEAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)O)cc3)C2=O)c1 6831274 FAMSVHCMUJYISE-MRXNPFEDSA-N 354.362 2.066 0 40 FEAB Brc1cnc(N2CC(Cn3cc(Br)cn3)C2)nc1 1889091769 WTUBELVPCQVDHX-UHFFFAOYSA-N 373.052 2.335 0 40 FEAB Cc1nccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037838507 KHEMZQHZTUYYJM-UHFFFAOYSA-N 370.428 2.322 0 40 FEAB CC1CCN(CC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)CC1 2037913145 WCHYPFYNROLORJ-HXUWFJFHSA-N 364.461 2.290 0 40 FEAB COc1ccccc1OCC(=O)NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1 9070538 LFYAZBVBSZKRDP-OAHLLOKOSA-N 374.368 2.355 0 40 FEAB CCCc1cnc2c(c1SCCN(CC)CC)c(=O)n(C)c(=O)n2C 10216772 VICDMMBJUSGSKY-UHFFFAOYSA-N 364.515 2.019 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)cc1 11738659 PQJJCNNMNKFTHE-UHFFFAOYSA-N 374.422 2.343 0 40 FEAB Cc1cccc(-c2noc(C(=O)NCCNC(=O)c3cccs3)n2)c1 15082019 BFVBVKDSTKGQFB-UHFFFAOYSA-N 356.407 2.266 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)cc1 2055772895 SEUWBMDOAXASCZ-HNNXBMFYSA-N 353.422 2.410 0 40 FEAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 22765395 HYDRQBMFRFOOQO-SFHVURJKSA-N 359.495 2.475 0 40 FEAB CN(C(=O)[C@H]1CC1(C)C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775970581 HCLQJJLUXUUGOO-CQSZACIVSA-N 354.458 2.085 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 19404353 NJCDRIUUJSSFKC-OAHLLOKOSA-N 356.474 2.071 0 40 FEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc(C)n[nH]1 11705752 AEGDBCMWBRHQCK-UHFFFAOYSA-N 350.444 2.271 0 40 FEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1 20614216 SFHMLASLOZOWEP-KRWDZBQOSA-N 354.406 2.219 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 6175245 MARWWADRIWABBD-JTQLQIEISA-N 370.377 2.279 0 40 FEAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1 6629655 VCOOTSAYBKYJPB-UHFFFAOYSA-N 361.467 2.019 0 40 FEAB COCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 52639612 KTHFNNCUKNYGFD-GOSISDBHSA-N 368.433 2.460 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N(Cc1ccsc1)C1CC1 58193720 IYPXTGSSNAMMKB-UHFFFAOYSA-N 356.455 2.119 0 40 FEAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1 9939380 KCBMQZIWDVHSDA-QWHCGFSZSA-N 370.858 2.140 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3ncc(-c4ccc(C)cc4)c3n2)CC1=O 100775608 FLRXKHSJTOBPST-HNNXBMFYSA-N 366.421 2.373 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 25462333 POSMCCHXEBIMJG-OAHLLOKOSA-N 369.421 2.472 0 40 FEAB Cn1ccnc1SCCNC(=O)c1ccc2c(c1)NC(=O)CCS2 12540797 DSXZIDUBIROIGY-UHFFFAOYSA-N 362.480 2.377 0 40 FEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 102662393 AZILDUUYUIDGLK-IHETXDGRSA-N 358.413 2.387 0 40 FEAB O=C(CCc1ccco1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 25083112 OJLWNYXMIJZNRT-UHFFFAOYSA-N 357.410 2.122 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccccc1=O 25397191 HMUALMYBNPQIEY-UHFFFAOYSA-N 350.422 2.026 0 40 FEAB COc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[nH]2)c(OC)c1OC 55912318 OCKLQVYXKHDVMA-UHFFFAOYSA-N 374.319 2.421 0 40 FEAB Cc1nnc2c(=O)n(CC(=O)Nc3ccccc3F)c3ccccc3n12 57522894 MZUQNQIWAIKSMR-UHFFFAOYSA-N 351.341 2.130 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2ccccc2CN2CCOCC2)c1 12756472 BRROLRPKBYNBFS-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB COc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1C 58216767 WJHIZONPJNELJL-UHFFFAOYSA-N 354.453 2.372 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)OCC[C@@H]2CCOCC1CCOCC1 306131292 KAMUZAYJUSURLA-KRWDZBQOSA-N 354.491 2.372 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 58209660 NJQNNDAAOKQNHJ-UHFFFAOYSA-N 367.340 2.079 0 40 FEAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408700269 CCWXSQODDDXZGJ-OAHLLOKOSA-N 368.499 2.355 0 40 FEAB O=C1CN(c2ccc(NC(=O)NCC3(c4ccccc4)CC3)cc2)CCN1 48340354 YGIARXZHZOUMCR-UHFFFAOYSA-N 364.449 2.476 0 40 FEAB CC(=O)c1ccc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)c(F)c1 10810084 LCKJOHISYVGWTD-UHFFFAOYSA-N 366.396 2.363 0 40 FEAB Cc1ccc([C@@H](OC[C@H](O)CN2C(=O)CNC2=O)c2ccccc2)cc1 12878332 TYDWIGWMODGBBO-MJGOQNOKSA-N 354.406 2.014 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)CC2 12809236 YNMSGDLPZUOZSF-OKILXGFUSA-N 368.499 2.285 0 40 FEAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1)C(C)C 36579954 TXCADTQQYUTQQZ-NVXWUHKLSA-N 374.416 2.404 0 40 FEAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 3479724 FABRAKNNZWONEF-STQMWFEESA-N 366.373 2.242 0 40 FEAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 8391177 LCYQKOXACXEYIU-UHFFFAOYSA-N 366.406 2.372 0 40 FEAB Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245036 KOHKGIQRKUBXSM-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13683487 OOPFFGMKWWRUMS-CZUORRHYSA-N 355.438 2.416 0 40 FEAB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc(C(N)=O)cc1 6060026 FSXYXEJBEYAQHA-VIFPVBQESA-N 361.785 2.205 0 40 FEAB Cc1ccccc1CCNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 14117910 ZSLQRMGGMVDCHL-UHFFFAOYSA-N 357.454 2.299 0 40 FEAB O=c1c2ccccc2ncn1CCS(=O)(=O)NC1CCCCCCC1 8770669 MDEGFZYCDFKTLM-UHFFFAOYSA-N 363.483 2.429 0 40 FEAB Cc1cccc(C)c1NC(=O)C(=O)Nn1c(S)nc2ccccc2c1=O 4671322 OHIJLEFDOAPOON-UHFFFAOYSA-N 368.418 2.011 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 14415473 BAXXPECBAIITLQ-UHFFFAOYSA-N 360.395 2.000 0 40 FEAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)nc2)c1 14801193 KFQWWBCGJAVJNC-INIZCTEOSA-N 355.438 2.310 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(=O)NCCO)C23CC4CC(CC(C4)C2)C3)cc1 5928631 LCCUUIGNVOYPLV-QPRVAFDKSA-N 370.493 2.418 0 40 FEAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCC)cc1OCC 5937279 MQGATLNNEPJBJQ-GFCCVEGCSA-N 366.414 2.265 0 40 FEAB Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(Cc2ccco2)CCO3)cn1 306141464 VWXMRALJQUVWAV-ICSRJNTNSA-N 370.453 2.322 0 40 FEAB CNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 7964620 SFYZOVDPIBSYBM-UHFFFAOYSA-N 362.389 2.153 0 40 FEAB COc1ccccc1CCNC(=O)c1sc2ncn(C)c(=O)c2c1C 16494757 KEYSWFUMHUZVJW-UHFFFAOYSA-N 357.435 2.285 0 40 FEAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NS(=O)(=O)c1ccccc1 67890274 SKLOMEFYRIZBJB-WBMJQRKESA-N 350.440 2.103 0 40 FEAB biogenic,in-vitro CCc1nn2c(=O)cc(CNc3cccc(C)c3C(=O)OC)nc2s1 9478006 JZCIAFAJJCYBOH-UHFFFAOYSA-N 358.423 2.421 0 40 FEAB CCOC(=O)c1cnn2c(C(=O)N3CCC[C@H]3c3ccncc3)ccnc12 89984909 OVRWSTQAGMNJEB-HNNXBMFYSA-N 365.393 2.278 0 40 FEAB O=C(CNC(=O)c1ccc(CN2CCCCC2)cc1)NCc1ccco1 9691268 JOURBSPABFDBHQ-UHFFFAOYSA-N 355.438 2.312 0 40 FEAB Cc1cc2c(cc1C)O[C@H](C(=O)NCCCc1nnc3n1CCCC3)C2 95448410 BAIJBDQUBJNEMJ-KRWDZBQOSA-N 354.454 2.284 0 40 FEAB COc1ccc2[nH]cc(CC(=O)N3CCC(c4nnc(O)o4)CC3)c2c1 550101262 OTGUKLSSOVORJM-UHFFFAOYSA-N 356.382 2.214 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 24989705 GSWJFZCXINPGOP-INIZCTEOSA-N 374.437 2.075 0 40 FEAB O=S(=O)(NC1Cc2ccccc2C1)c1cnn(Cc2ccccc2)c1 545827708 MTBFACWSHHQPKB-UHFFFAOYSA-N 353.447 2.377 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/Sc1nnc(C)o1)C(=O)O 211547182 WEYCGQIFEDLIHK-OXBCTQFSSA-N 358.379 2.478 0 40 FEAB Cc1cc(Cn2nnc(C(=O)N[C@@H]3c4ccc(F)cc4O[C@H]3C)c2C)on1 516796543 KPKDLDUTRAUKCG-GTNSWQLSSA-N 371.372 2.322 0 40 FEAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217519263 UUZNRWNNHAHHPJ-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB Cc1cccc(OCC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 72264671 MIVRTCOJSCVCQB-FQEVSTJZSA-N 354.450 2.252 0 40 FEAB Cc1csc(NC(=O)CN2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 35598321 YMCZQZKMWIKZGM-UHFFFAOYSA-N 370.482 2.084 0 40 FEAB O=C(NC[C@@H](O)c1ccc(F)cc1)c1nc(N2CCCC2)ncc1Cl 79978354 VCJCSOAZFLEXFR-CQSZACIVSA-N 364.808 2.333 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2F)[C@]2(N3CCOCC3)CCC[C@H]12 32912777 OGKHVMWUNALZGM-AUUYWEPGSA-N 361.417 2.393 0 40 FEAB O=C(c1nnc2ccccc2n1)N1CCN(Cc2ccc(F)cc2)CC1 46088119 VNVAHVRCFXOEDV-UHFFFAOYSA-N 351.385 2.122 0 40 FEAB COc1cncc(O[C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1 225498132 JRMQCLBJEDGUJH-CYBMUJFWSA-N 365.393 2.112 0 40 FEAB CC(C)[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225206425 RBDOSOKBUJMZNE-CYBMUJFWSA-N 370.471 2.122 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](c3ccncc3)C1)C2=O 568554314 BJNANPVOQHWULF-INIZCTEOSA-N 363.417 2.392 0 40 FEAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 75157597 MRDOAQXIZFPWNZ-GFCCVEGCSA-N 357.419 2.488 0 40 FEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]1CCCc1ccccc1 194026142 PJXDWVYESGBKBY-WBVHZDCISA-N 352.500 2.280 0 40 FEAB Cn1nc2c(c1CNC(=O)c1cccc(C(=O)NC3CC3)c1)CCCC2 581858136 KIOZIXVUIVQKDF-UHFFFAOYSA-N 352.438 2.121 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(CCOC)C2 96055958 FRCLVJJKSLMWCE-HKUYNNGSSA-N 366.527 2.472 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96048685 WCZLXXXBIIOMTR-HXUWFJFHSA-N 350.422 2.132 0 40 FEAB Cc1nc(CN2CCOCC23CCN(C(=O)c2ccccn2)CC3)cs1 96074688 AIULYWVDHCSGSC-UHFFFAOYSA-N 372.494 2.354 0 40 FEAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccco4)C3)C2)nn1 96078503 GZABPVMSCJJYNG-APWZRJJASA-N 358.442 2.098 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1 247972648 DPINDPJAPYVNIK-IBGZPJMESA-N 364.534 2.271 0 40 FEAB Fc1cnc(N2CC3(C[C@@H](CCOCC4CCOCC4)CCO3)C2)nc1 247486906 AFCYXPHRDVCENN-HNNXBMFYSA-N 365.449 2.434 0 40 FEAB O=S(=O)(C1CC1)N1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 247322081 MCUFASNYCNTFJY-OAHLLOKOSA-N 366.483 2.214 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cc(C(C)C)no2)n1 257222455 DTJMRQXSBSETKP-INIZCTEOSA-N 357.414 2.201 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3cn(C)cn3)CCO2)n1 257236293 HBNHNAAATLGCER-QGZVFWFLSA-N 367.409 2.301 0 40 FEAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2nccn2C)n1 257319497 VSVDWLAHOSOQGT-CQSZACIVSA-N 352.398 2.459 0 40 FEAB CN(C)Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257242970 IEYVESLIAYXUOH-SFHVURJKSA-N 350.426 2.392 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)N(C)C)c1 260895127 INXPSLPPWIRGDF-OAHLLOKOSA-N 355.504 2.077 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(OC)c(OC)c1Cl 643765464 UMMZBKDBSRJFFP-KRWDZBQOSA-N 356.850 2.084 0 40 FEAB COc1ccccc1[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1noc(C)n1 655744352 YEWFZIQSBQOBOB-VQIMIIECSA-N 372.469 2.319 0 40 FEAB CC(C)[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1cccnc1 684766257 OFTYGZOSJPCMIB-IBGZPJMESA-N 355.486 2.289 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)CCN1c1ccccc1F 602270124 OTUJDUXWXLHIQH-KRWDZBQOSA-N 374.437 2.398 0 40 FEAB Cc1cc(N2CC[C@H](c3n[nH]cc3CNC(=O)C3CC(C)C3)C2)ncn1 1775960148 VDTQSGYGWVMRHU-BLZCZZARSA-N 354.458 2.164 0 40 FEAB CCc1cnc(N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)s1 607938499 MQMSCAULKQMYNI-UHFFFAOYSA-N 373.478 2.368 0 40 FEAB CCc1cnc(N2CCN(C(=O)c3cnn(C)c3C(F)(F)F)CC2)s1 607938590 BKDJOLDMDQBRPJ-UHFFFAOYSA-N 373.404 2.420 0 40 FEAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 96025540 OTQPYRXEOWEVQJ-ZDUSSCGKSA-N 371.505 2.375 0 40 FEAB Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O 585098332 WLSGMJOHFPTPLI-INIZCTEOSA-N 352.438 2.229 0 40 FEAB CCN1CC[C@]2(CN(C(=O)c3cc(C)nc(C)c3)CC(F)(F)C2)C1=O 585093183 HYTXGBKVMQWOTD-KRWDZBQOSA-N 351.397 2.418 0 40 FEAB CNc1cnc(C(=O)N2CC[C@](COc3ccc(C)cc3)(OC)C2)nc1 585275380 ADJAUSKWDMALAU-IBGZPJMESA-N 356.426 2.137 0 40 FEAB Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2c(F)cccc2Cl)n[nH]1 685940113 RHVZRHRDKHGOCO-BONVTDFDSA-N 352.797 2.342 0 40 FEAB C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C[C@@H](C)O1 55685844 YXIKZJKADZLXDI-BFYDXBDKSA-N 371.481 2.497 0 40 FEAB C[C@H](CC(=O)NCCCOCC1CCOCC1)NC(=O)c1ccccc1 97596886 BHGPTUUBWWDVAH-MRXNPFEDSA-N 362.470 2.145 0 40 FEAB O=C([C@@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCOCC1 681251782 OKSNOLXXYBWNHG-LLVKDONJSA-N 372.238 2.058 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCC2(OCCO)CCCC2)cc1Cl 888107129 PLXAZYMMGUINMS-UHFFFAOYSA-N 354.834 2.025 0 40 FEAB O=C(Cn1nnc2cc(F)ccc2c1=O)Nc1ccc(F)cc1Cl 1652970503 QMOSNEFPQGPFNL-UHFFFAOYSA-N 350.712 2.362 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 12118983 GLTMHXSKMYMFCU-PWSUYJOCSA-N 369.347 2.028 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 16641805 GMRNYHYDJCINMZ-AWEZNQCLSA-N 368.474 2.485 0 40 FEAB C[C@@H](C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1 19079838 AIEUYLJVCSZVQG-BBRMVZONSA-N 360.845 2.057 0 40 FEAB C[C@H](CC(=O)N1CCc2nc([C@H]3CCCCN3C)ncc2C1)n1cccn1 19455375 MVTKYVNRLAWGNE-CRAIPNDOSA-N 368.485 2.366 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@@H](C)O1 19497486 MRLZZNRWWRLQTO-VXGBXAGGSA-N 364.446 2.316 0 40 FEAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cc(OC)ccc3F)C2)n1 19594303 QJSUPGFRCRNINY-CYBMUJFWSA-N 361.417 2.444 0 40 FEAB Cc1cc(CN2CCC[C@](O)(CC(N)=O)C2)ccc1Oc1cccnc1 643746389 KKFQUQGMFMFGNB-FQEVSTJZSA-N 355.438 2.385 0 40 FEAB CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 684273668 NHXWLHAKVIDCMM-WIYYLYMNSA-N 373.497 2.431 0 40 FEAB O=C(c1cnccn1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888899335 WPEKANUFBWNSJK-CALCHBBNSA-N 372.432 2.142 0 40 FEAB O=C(CN1CCOCC1)N1CCC[C@H](Cc2cccc3ncccc23)C1 1848355356 UKIKQIPAOHUFFC-QGZVFWFLSA-N 353.466 2.348 0 40 FEAB COC(=O)C1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)CC1 26646652 BHYUZPFWYKETSO-UHFFFAOYSA-N 363.477 2.223 0 40 FEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2 1614937257 LLZHMBWJRBQDFK-SCLBCKFNSA-N 362.861 2.028 0 40 FEAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1 5270516 FYHVRAUHWUKEIG-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccncc3)CC2)cc1 9069335 RRIVAGYCHIMMFL-UHFFFAOYSA-N 366.465 2.357 0 40 FEAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NC[C@H]1CCCO1 11737846 KZEYGORZUIUJKM-CQSZACIVSA-N 372.450 2.116 0 40 FEAB CN1CCN([C@@H](CNC(=O)C2CCCCC2)c2ccc3c(c2)OCO3)CC1 22577245 RKGPRZVZHOXWHU-SFHVURJKSA-N 373.497 2.400 0 40 FEAB CC(C)c1nnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884586 QBTHFWXNDKDRIJ-NSHDSACASA-N 360.430 2.124 0 40 FEAB O=C([C@@H]1CN(c2cc(C3CCC3)ncn2)CCO1)N1CCC(F)(F)CC1 2086884741 RLPKAXDHBDMFNM-HNNXBMFYSA-N 366.412 2.207 0 40 FEAB COCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 9203771 XEJCHHKCUBXOBC-UHFFFAOYSA-N 374.462 2.327 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)CN1CCSC1=O)N1CCCC1 40007819 MWECVQOTQMCCAB-OAHLLOKOSA-N 363.483 2.117 0 40 FEAB C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)Cn1cccn1 40154833 ZNSMRYFDABUSCM-DOTOQJQBSA-N 372.444 2.327 0 40 FEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 8090130 JRWFEXUIEIWATP-OAHLLOKOSA-N 360.483 2.276 0 40 FEAB C[C@@H]1CN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)C[C@@H](C)O1 2775160 CFFSWULQGJGLPE-RNFRBKRXSA-N 370.169 2.451 0 40 FEAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 3379584 DPILANPKWXRLGO-NSHDSACASA-N 358.350 2.393 0 40 FEAB O=C1O[C@@H](C(=O)Nc2cccnc2N2CCSCC2)Cc2ccccc21 51989765 PZNXGDRPTDIQDG-MRXNPFEDSA-N 369.446 2.355 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cccc(OC)c3)n12 4250172 OHNXDLCZGGGVTG-UHFFFAOYSA-N 373.438 2.110 0 40 FEAB CCOCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 4981243 JIIZZKDIHUMREG-KRWDZBQOSA-N 361.442 2.428 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2 32768903 DZMFAUGBEBEUNJ-UHFFFAOYSA-N 354.406 2.203 0 40 FEAB O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCCn1ccnc1 6876410 FZFKHMQFBZZSEU-UHFFFAOYSA-N 358.373 2.400 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2cccnc2)n1N 102292062 JTVXAKBJXWAESZ-MBNYWOFBSA-N 360.487 2.087 0 40 FEAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3O)cc2N1 2628116 DINOBBRMJLNIAO-UHFFFAOYSA-N 361.737 2.416 0 40 FEAB Cc1ccccc1OCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 32818249 DPXZKNDIEYNWJZ-UHFFFAOYSA-N 353.378 2.064 0 40 FEAB CC[C@@]1(O)C[C@@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@@H]31)[C@@H]25 104059166 SLUFFIKFMLYKDM-PNAUXYAASA-N 352.434 2.024 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8241190 RUXLBAJLBJCAHK-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(-n2ccnc2)nc1 33044074 BOHSPEZTVNAUAL-UGSOOPFHSA-N 350.378 2.112 0 40 FEAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NNC(=O)[C@@H]3CCCO3)c2C1 53508481 KCKTWRBQDZCMCJ-PXAZEXFGSA-N 353.422 2.300 0 40 FEAB Cc1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2ccccc12 794494 PFYGZYUGCWRCEI-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccncc1 22621817 SYYZOZLBWSVNJI-DZGCQCFKSA-N 367.405 2.083 0 40 FEAB O=C(CCn1cnc2sccc2c1=O)Nc1cccnc1N1CCCC1 47254998 DLUQKGGTYGVHDY-UHFFFAOYSA-N 369.450 2.482 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2cccc(OC)c2)CC1 20492546 WLGJIJQKXKISCI-MRXNPFEDSA-N 350.415 2.153 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 22931625 BTOBCYPHUSOXMM-SFHVURJKSA-N 372.513 2.034 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1c[nH]c2ccc(F)cc12 71288276 TWYGDPUHNMXZMP-UHFFFAOYSA-N 368.412 2.101 0 40 FEAB O=C(NCCNS(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 24442927 IQGLPEDFCZTQNI-UHFFFAOYSA-N 363.222 2.295 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 12538779 GECNLXINWPLKOX-RYUDHWBXSA-N 362.455 2.331 0 40 FEAB CNC(=O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 57681906 KZMGFFXOBPDRAI-UHFFFAOYSA-N 367.478 2.226 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 45134003 XGCIZLUQKNWBSY-KBPBESRZSA-N 350.426 2.447 0 40 FEAB CN(CC(=O)NC(C)(C)C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 36395092 UINUVDDAROERHU-UHFFFAOYSA-N 372.252 2.393 0 40 FEAB COC(=O)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 2396089 HDXAOWHZFSFLQN-UHFFFAOYSA-N 354.742 2.022 0 40 FEAB CCC(CC)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCOCC1 12747038 VQDDUKUGOBKYLO-IBGZPJMESA-N 371.481 2.395 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 12775244 BYSNBAKLWYGANP-LBPRGKRZSA-N 358.369 2.204 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1n[nH]c(=O)c2ccccc12 11083098 FZEYLKDYBMABII-UHFFFAOYSA-N 373.416 2.440 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCNC(=O)Nc2ccccc2)n1 48235773 FRGYYCQNRARJRJ-AWEZNQCLSA-N 357.458 2.464 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccccc1 12889598 LCITZGFAVNYOQF-UHFFFAOYSA-N 351.200 2.131 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12915958 QFXIJPIQKVYSSS-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 9096169 CHNCOXJGOLPTFY-UHFFFAOYSA-N 360.435 2.449 0 40 FEAB O=C(O)c1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 13443288 ADDCWITZQJZFHN-UHFFFAOYSA-N 352.390 2.484 0 40 FEAB CCN(CC)C(=O)CN1CCN(c2cc(-c3ccccc3)nc(C)n2)CC1 49597429 KHJFHJTUCQKHES-UHFFFAOYSA-N 367.497 2.442 0 40 FEAB COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 13997718 VMUSLPSKIXJGJC-GFCCVEGCSA-N 355.394 2.292 0 40 FEAB COc1ccccc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 6369119 BHIMAWWZERYETD-DJJJIMSYSA-N 360.410 2.239 0 40 FEAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC(C(=O)O)CC1 5325102 FVSLCLOKZGTQOW-PBHICJAKSA-N 374.462 2.358 0 40 FEAB COc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 14201612 QWZYJWCZRHDPFB-UHFFFAOYSA-N 353.422 2.092 0 40 FEAB COCCOc1ccccc1CNc1ccc(-n2ncn(C)c2=O)cc1 92440564 HPHKUSBOCMIEQY-UHFFFAOYSA-N 354.410 2.208 0 40 FEAB Cc1ccc(SCCC(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1C 7764061 CAHFWIMDSUTNFX-ZDUSSCGKSA-N 350.440 2.269 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccc(F)cc2)N1)OCCCO4 9115721 WMKUTSCNPIDZSU-MRXNPFEDSA-N 353.357 2.433 0 40 FEAB COc1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c2ccccc12 9112757 UWTGRVCOHIFIBB-UHFFFAOYSA-N 353.382 2.039 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cccc([S@](C)=O)c2)C1 95460950 XQTPZSKFDDTOFI-YMXBGEKHSA-N 361.471 2.447 0 40 FEAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](C)n1nc(C)cc1C 78613240 AHIAVQFOMVPKNO-HNNXBMFYSA-N 359.426 2.465 0 40 FEAB COc1ccccc1N1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 74191584 QAMZZEIZMXYQCG-UHFFFAOYSA-N 352.438 2.309 0 40 FEAB Cc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 95960580 RZQYXGDLFUIIFA-MRXNPFEDSA-N 355.438 2.051 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)c1C 9951411 RAWDLQJONAAESA-INIZCTEOSA-N 358.394 2.404 0 40 FEAB CC1(C)Cc2cccc(CNCC(C)(C)N3CCS(=O)CC3)c2O1 75092256 HGMUIDOIVYJAJF-UHFFFAOYSA-N 350.528 2.333 0 40 FEAB O=C(O)c1ccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 409220015 SRNRIWTUKWVJKE-UHFFFAOYSA-N 351.314 2.171 0 40 FEAB O=S1(=O)N[C@@H]2CN(Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 306126058 DKUXKWXVADZSOV-SJLPKXTDSA-N 373.478 2.041 0 40 FEAB CCOCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409118073 YUDBIHQGBCYRKG-UHFFFAOYSA-N 356.488 2.119 0 40 FEAB Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n2ncnc2n1 35310954 GWSSVCFQOIBGBN-UHFFFAOYSA-N 368.416 2.105 0 40 FEAB NS(=O)(=O)c1sccc1C(=O)Nc1cccc(N2CCCC2)c1 1542115958 RKZITGHCMLKNRC-UHFFFAOYSA-N 351.453 2.248 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 75081786 LFFAIVYNPDFETA-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)N2CCCCCC2)Oc2ccc(Cl)cc21 38835832 PYYHJLSTAZKJHB-OAHLLOKOSA-N 372.874 2.270 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1cnc2sc(C)c(C)n2c1=O 35373120 CUAJJBMGAHSKOW-UHFFFAOYSA-N 357.391 2.412 0 40 FEAB COc1cc(C(=O)O)cc(OC)c1OCC(=O)NCCc1ccccc1 217731087 AJBWXWNGCJZBDV-UHFFFAOYSA-N 359.378 2.140 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 43730615 GFOJAQICYFSWDZ-LCONNIHZSA-N 369.465 2.252 0 40 FEAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223296420 JDKJSQVSAQBMNC-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(C(C)C)c2ccccc23)cn1 96144461 KLVRFZQKDAVGRA-PZJWPPBQSA-N 366.465 2.357 0 40 FEAB Cc1cccc(CN2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)n1 96229108 SNQLJYVRTQZKOV-HXUWFJFHSA-N 353.470 2.299 0 40 FEAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1cccs1)C2 96061944 NDUSDQOBTBIAMZ-UHFFFAOYSA-N 355.467 2.229 0 40 FEAB O=C(c1cccnc1)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244081 XEMIUPUIZGRJTN-FQEVSTJZSA-N 365.437 2.008 0 40 FEAB COc1ccc(-c2nn(CC(=O)Nc3nccs3)c(=O)cc2OC)cc1 96183145 JUOMJYRRZKAVBN-UHFFFAOYSA-N 372.406 2.023 0 40 FEAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2nccn2C)CC3)n1 96075436 VHAWTDZKSZGJOB-UHFFFAOYSA-N 353.470 2.281 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@]3(COCCN(C)C)C2)o1 96065022 XBVWMCKJGOVCFR-IEBWSBKVSA-N 350.459 2.178 0 40 FEAB CCOCC(C)(C)CNC(=O)c1c(C)nn(C)c1OC[C@H]1CCCCO1 585084043 ZTABXSFZTWNDQG-OAHLLOKOSA-N 367.490 2.469 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 257211025 BXFKUAUCASUERD-MRXNPFEDSA-N 353.426 2.475 0 40 FEAB CN(C(=O)c1cccc(OCCN)c1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257229055 FWNHHNSMEWETAU-VAMGGRTRSA-N 370.449 2.067 0 40 FEAB CN1CCC[C@@H]2N(C(=O)COc3ncnc4ccccc34)CCC[C@@]21C 257304245 SKSOVNUHXRPPMX-PXNSSMCTSA-N 354.454 2.484 0 40 FEAB Cc1cc2nc(C3CCN(C(=O)c4c(C)noc4C)CC3)cc(O)n2n1 257206098 BBVOEJIYAGRUDZ-UHFFFAOYSA-N 355.398 2.368 0 40 FEAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257333013 XZRCLNVPOQOKIP-CQSZACIVSA-N 370.428 2.412 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257207984 BKELXPDIMLULLI-UHFFFAOYSA-N 358.467 2.440 0 40 FEAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cnc3c[nH]nc3c2)c1 1630305542 OQQZGBHXCUJZQY-GFCCVEGCSA-N 351.410 2.416 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](CO)c1ccccc1 665591072 YKKUJIMNKRQKNG-IBGZPJMESA-N 354.450 2.258 0 40 FEAB CNc1cc(C(=O)N2CC[C@](COc3ccccc3C)(OC)C2)ccn1 585278005 ZOYRSXOWCONQKV-FQEVSTJZSA-N 355.438 2.742 0 40 FEAB CC(C)N1CCC[C@H](CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 58179161 JSAAFDVBRUPNGY-CYBMUJFWSA-N 359.392 2.104 0 40 FEAB O=C(CN1CCC[C@H](O)C1)Nc1ccc(NC(=O)c2cccs2)cc1 58190771 CTAGFCMANCMKJQ-HNNXBMFYSA-N 359.451 2.396 0 40 FEAB Cc1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 59004571 AVPQXNIUQRAYEN-IEBWSBKVSA-N 371.408 2.382 0 40 FEAB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(N)=O)cc1 8117582 MPHZQVJIQIFKFI-GXDHUFHOSA-N 351.362 2.105 0 40 FEAB O=C(NCCn1cccn1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595616 HUEGGJPJWOSHSF-HBFSDRIKSA-N 366.465 2.091 0 40 FEAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 5443189 IEOWEFUBIQSYNX-UHFFFAOYSA-N 372.497 2.153 0 40 FEAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 12602239 BAPCOLVFJMGORB-RYQLBKOJSA-N 373.497 2.197 0 40 FEAB biogenic,in-vitro O=C(Cc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1 17357738 GDHKQHWZKMLARN-UHFFFAOYSA-N 352.434 2.345 0 40 FEAB COc1cccc(C(=O)N2CCc3nc(C4CCNCC4)ncc3C2)c1 19564743 FMQZKFDWMTUBND-UHFFFAOYSA-N 352.438 2.151 0 40 FEAB O=C(CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1)N1CCCC1 13694793 ACXZKYLVIBIEOW-UHFFFAOYSA-N 373.888 2.270 0 40 FEAB CCN=c1ccnc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)[nH]1 1888854048 CXGCLLVCIAZRQG-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc(C2CC2)n1 1888869604 LBHJDGPSFDBQNX-UHFFFAOYSA-N 365.485 2.379 0 40 FEAB O=C([C@H]1CCCN(c2ncnc3sc4c(c23)CCC4)C1)N1CCOCC1 14330874 XYBISFDWUABLMR-ZDUSSCGKSA-N 372.494 2.255 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565545835 MUFULHZYZRHIHS-UHFFFAOYSA-N 371.453 2.382 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)N1CCCCC1 4376944 KYHAIUSSIBUTBC-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(c3cccc(C)c3)=NC2=N1 13123751 ZJASTOMMPNKWAR-OAHLLOKOSA-N 351.435 2.494 0 40 FEAB CCOc1cc(-c2nnc(N)s2)ccc1OCc1nnc(N)s1 15081620 NYHDIPLMBIBNOR-UHFFFAOYSA-N 350.429 2.199 0 40 FEAB C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC=CCC1 1784753182 XUDYWNIRTLORLP-LEWJYISDSA-N 369.465 2.272 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H](Oc2ccncc2)C1)OCc1ccccc1 575611627 FBGXOGMZVILKKF-GOSISDBHSA-N 369.421 2.378 0 40 FEAB COc1nc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)ncc1Br 2298042585 YONWMIWXQSYOHW-QWRGUYRKSA-N 353.264 2.168 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)CC(C)C)C2)n(-c2cccnc2)n1 2332241548 GFLQGGJOPDROPM-USXIJHARSA-N 357.458 2.130 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)n(C(C)C)n1 2332241729 YDRICQLSYZEUOE-CGTJXYLNSA-N 372.469 2.360 0 40 FEAB O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCSCC1 40122319 YPBUSKJDLDOIIJ-UHFFFAOYSA-N 354.497 2.097 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccn1 8289752 USNYQRHADIYIAE-UHFFFAOYSA-N 362.227 2.280 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1 2659215 JWYUNLUBWXWEFT-SFHVURJKSA-N 358.463 2.467 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)Cn1c(SC(F)F)nc2ccccc21 32747554 LABNBJYONYBYRU-JTQLQIEISA-N 370.425 2.382 0 40 FEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccccc1Cl 6859728 ZWONIDCGUUOUDG-UHFFFAOYSA-N 369.855 2.196 0 40 FEAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 7940226 MUDXMGLMYNNTLO-CQSZACIVSA-N 374.437 2.358 0 40 FEAB Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccccc1 10112909 PQJCCRQGBLAMJD-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc2c(c1)OCCCO2 8344862 VEVOEWBTRPGKQH-SFHVURJKSA-N 357.410 2.069 0 40 FEAB CN(C)C1(CNC(=O)CCCNC(=O)NC2CCCCC2)CCCC1 52936836 ZBHRDDXTOOUGPP-UHFFFAOYSA-N 352.523 2.389 0 40 FEAB CCOC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccc(C)cc2)CC1 695660 FPIRLRWJSRFSGZ-CMDGGOBGSA-N 361.467 2.183 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)Nc1nc2c(s1)CCCCCC2 100771195 LUCHWINTLUZDBT-UHFFFAOYSA-N 372.454 2.023 0 40 FEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2cccs2)CC1 101610699 XNMFPDOOEUNTDZ-BPLDGKMQSA-N 368.524 2.454 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)c1 51356997 QKODHQGUXJNMAB-UHFFFAOYSA-N 371.345 2.055 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)NCCCn1cnc2ccccc21 12489918 QPXLIASSOLTDQC-UHFFFAOYSA-N 367.434 2.014 0 40 FEAB CC(=O)Nc1nc(COC(=O)c2ccc(Cn3ccccc3=O)o2)cs1 24210095 FVVCUECWBUSMQZ-UHFFFAOYSA-N 373.390 2.262 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 102139636 KWSQJVNQQZYNSX-SCMJLYPYSA-N 350.418 2.295 0 40 FEAB O=c1c2cccnc2cnn1C[C@H](O)CO[C@H]1CCCc2ccccc21 77416694 UQIDCMKYBJKJOC-KXBFYZLASA-N 351.406 2.247 0 40 FEAB CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670385 AEGZEFHWBRJXEF-RTBURBONSA-N 370.501 2.371 0 40 FEAB Cn1cccc1C(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 57347272 DTONLSJCKUHOBA-UHFFFAOYSA-N 369.421 2.287 0 40 FEAB O=C(CN1CSCC1=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 58171282 RHGQHEXTIBUZDX-UHFFFAOYSA-N 356.451 2.358 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cn1C 58171571 SUOADIFZPDSVKA-QGZVFWFLSA-N 373.478 2.225 0 40 FEAB CCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 58293869 NSLGDHXYFRFUBF-GOSISDBHSA-N 369.465 2.396 0 40 FEAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3343463 UGNWCHVJEKUYMX-QGZVFWFLSA-N 361.785 2.016 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCCc1ccc(OC(F)(F)F)cc1 58357689 CFLUDBZVGDCWRV-NSHDSACASA-N 367.389 2.456 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 12794781 KIKGWZRTLOVZNH-CQSZACIVSA-N 366.356 2.081 0 40 FEAB CC(C)n1ncc2cc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cnc21 12821329 MBWVQGRCQKSANW-UHFFFAOYSA-N 363.377 2.490 0 40 FEAB COc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)C3CC3)CC1)O[C@H](C)C2 12919095 RRIHOXVYCUYNPJ-VBROQKIQSA-N 370.449 2.113 0 40 FEAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)s1 13021497 MVZYSKVYFYMPJB-MRVPVSSYSA-N 366.420 2.295 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 13315596 ILBLEGGUHZIGIE-UHFFFAOYSA-N 374.462 2.459 0 40 FEAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1S(N)(=O)=O 9221429 DRNAAJQADHJVKN-ZDUSSCGKSA-N 359.451 2.032 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)C1c2ccccc2Oc2ccccc21 9218268 QMHJHJIQDSJXPQ-UHFFFAOYSA-N 352.346 2.019 0 40 FEAB CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCOCC1 20098655 NVTMAMROKZJBCG-KRWDZBQOSA-N 352.442 2.398 0 40 FEAB COc1ccc2[nH]c(C(=O)NCCC(=O)Nc3ccccn3)cc2c1OC 13732111 KRINBKZLGGOVOY-UHFFFAOYSA-N 368.393 2.339 0 40 FEAB O=C(CNC(=O)c1ccccc1F)Nc1ccccc1N1CCOCC1 8708443 VBVPBNRAFCJAOK-UHFFFAOYSA-N 357.385 2.031 0 40 FEAB CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)s1 14017231 UKRFGIKLEKGMPZ-SECBINFHSA-N 367.500 2.489 0 40 FEAB CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252220 QCJSIZWGNJFXIB-GFCCVEGCSA-N 372.487 2.408 0 40 FEAB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1cnccn1 14161642 JUEWLADEBRXUMX-UHFFFAOYSA-N 372.450 2.142 0 40 FEAB CC(C)n1cnc([C@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136931 QHAHPLXIOSZUIY-UTKZUKDTSA-N 370.497 2.429 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)on1 14153531 BFAQOPULGGQZMZ-CABZTGNLSA-N 361.329 2.118 0 40 FEAB COc1ccc(OCc2nn(CN3CCO[C@H](C)C3)c(=S)o2)cc1 14168622 LUECDYKMHBPITQ-GFCCVEGCSA-N 351.428 2.471 0 40 FEAB COc1ccc(CCOC(=O)c2cc(S(N)(=O)=O)ccc2Cl)cc1 6542708 PUTMSAGLLODHCU-UHFFFAOYSA-N 369.826 2.396 0 40 FEAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)NC2CC2)cc1 5678847 GLDZQISBRHLTBT-UHFFFAOYSA-N 358.394 2.235 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 6800847 GLBSQJUFQQTICZ-UHFFFAOYSA-N 355.369 2.351 0 40 FEAB Cc1ccc(SCCNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 8883745 WZVWXMOALMKNMD-UHFFFAOYSA-N 363.483 2.314 0 40 FEAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc(F)cc1 6914139 IKKWKFHGSVRSHI-ZDUSSCGKSA-N 350.419 2.009 0 40 FEAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(F)cc1F 8935551 XDKZHLBMOGVEHT-MRVPVSSYSA-N 368.413 2.058 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1Cl 7883126 BJJGIXJSZCPSMO-CYBMUJFWSA-N 367.858 2.307 0 40 FEAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-n2cnnn2)cc1 8130473 JAUVYSUAAMKQNA-UHFFFAOYSA-N 367.394 2.345 0 40 FEAB O=C1CCCN1c1ccc(C2=NN=C(NC[C@H]3CCCO3)SC2)cc1 9417051 IPBGVEVYSZHVPY-OAHLLOKOSA-N 358.467 2.389 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC1 9502185 FZAJCKYQQHHDSB-UHFFFAOYSA-N 352.456 2.106 0 40 FEAB CCN(CC)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 9835812 LQZJDJMGEGTNGZ-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@@H](C)N(Cc2ccco2)CC3)cn1 306144675 ZLXOZFZCCMSGFW-CQSZACIVSA-N 366.425 2.081 0 40 FEAB COc1cccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)c1 20449962 VJXNOANFJRLZHD-MDZDMXLPSA-N 364.423 2.332 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc12 79069953 ZUMFKYBMIKRXBA-GFCCVEGCSA-N 356.348 2.460 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 22056627 FCJXLDFVMXBQDF-AEFFLSMTSA-N 361.486 2.492 0 40 FEAB NC(=O)[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 119874355 HZTZHPIREZWKSV-OAHLLOKOSA-N 352.390 2.006 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 408560899 QPEZYMDHGHVPPZ-GFCCVEGCSA-N 374.890 2.274 0 40 FEAB CC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1 35288568 MENWUXHWJBACGW-UHFFFAOYSA-N 368.368 2.441 0 40 FEAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cccc3cn[nH]c23)n1 512264587 ZSRBJTJZZJRQCT-HOTGVXAUSA-N 369.448 2.126 0 40 FEAB Cc1cc(NC(=O)c2ccc3ccn(C)c3c2)n([C@@H]2CCS(=O)(=O)C2)n1 79488428 HJAKTZLZZDMLEG-OAHLLOKOSA-N 372.450 2.295 0 40 FEAB NC[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218432360 SIKQPQOTOFKFHB-IXDOHACOSA-N 351.855 2.217 0 40 FEAB NS(=O)(=O)c1cccc(CNC(=O)/C=C/c2ccc(Cl)s2)c1 32818944 JEWZTFGDONVCKP-FNORWQNLSA-N 356.856 2.379 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 40051457 FXACSTYYLZGEPL-INIZCTEOSA-N 353.378 2.155 0 40 FEAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)NC)c2)s1 225417835 XIARAXXJBBDRBN-UHFFFAOYSA-N 372.497 2.201 0 40 FEAB CN(C[C@H]1CCCN(Cc2ccc(C(=O)O)c(Cl)c2)C1)S(C)(=O)=O 569238044 OHMQVYZSULQLHS-CYBMUJFWSA-N 374.890 2.142 0 40 FEAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 48340994 CROQYLVRPCYTKI-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)o1 96049016 LDMBLHQPKMBQSG-UHFFFAOYSA-N 360.389 2.029 0 40 FEAB CC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 96222789 NPXNZIVCIKIHNH-DYVFJYSZSA-N 370.453 2.326 0 40 FEAB biogenic COCCNC(=O)[C@@H]1C[C@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96144465 HSHOYCSVJGFYTQ-RBBKRZOGSA-N 366.461 2.496 0 40 FEAB O=C1CN(C2CCNCC2)C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)N1 91689944 TUVAKIFXMWJKBI-CQSZACIVSA-N 356.253 2.135 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cnccn2)C3)n1 247855470 CNDDUWKIIOORLT-OAHLLOKOSA-N 356.451 2.097 0 40 FEAB NCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)c1 257268221 MKSYXHXITNYSTH-ACRUOGEOSA-N 365.477 2.242 0 40 FEAB CN(C)C(=O)c1cnn2c(C3CCN(Cc4cncs4)CC3)ccnc12 257235004 GVZFPJXGPGOPIC-UHFFFAOYSA-N 370.482 2.267 0 40 FEAB Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3cnn(C)c3)cs2)cnn1C 275345062 IKDTUKPFAWNXPW-WFASDCNBSA-N 372.454 2.302 0 40 FEAB COc1cccc(CN(C)c2nnc(-c3cn[nH]c3)n2C[C@H]2CCOC2)c1 625174803 YIBCWEZRIPYGJF-OAHLLOKOSA-N 368.441 2.350 0 40 FEAB O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CC[C@H](C(=O)O)NC1 630700624 CKZASLIOZWEUBA-ZWNOBZJWSA-N 356.344 2.264 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCC(C)(C)C)cc1 649026085 CHDBBZFRPFCIGM-UHFFFAOYSA-N 354.472 2.062 0 40 FEAB CO[C@@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1cccc(F)c1 585279847 QNXRXFZBPHYXTM-RHSMWYFYSA-N 359.401 2.350 0 40 FEAB Cc1nc(C)c([C@@H](C)NC(=O)NCCNC(=O)c2ccccc2O)s1 56744634 QYBDABZCFZZDOB-LLVKDONJSA-N 362.455 2.256 0 40 FEAB COc1ncc(C2(O)CCN(Cc3cc(F)ccc3F)CC2)c(OC)n1 12186358 RQWMROGJTHDTMU-UHFFFAOYSA-N 365.380 2.256 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1OC 15591962 NYYOSOFDTMCYSB-UHFFFAOYSA-N 352.387 2.303 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 19018342 KSBHSESOJSXORE-IRXDYDNUSA-N 368.481 2.444 0 40 FEAB COc1ccc(O[C@H](C)CNC(=O)c2cc(-c3cnn(C)c3)on2)cc1 19456479 FCOCTASHJWOGJE-GFCCVEGCSA-N 356.382 2.281 0 40 FEAB Cc1ccccc1CC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 1848352460 SLGDCVIHMAZALE-SFHVURJKSA-N 352.425 2.232 0 40 FEAB COc1cccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)cc2=O)c1 4496065 ZWYPZLJQJVIPJE-UHFFFAOYSA-N 367.409 2.002 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cccnc2)C1 2055751177 PHWLVLZUUUVNAH-OAQYLSRUSA-N 368.481 2.291 0 40 FEAB CCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccccc3OC)c2)n1 49007525 WBHLPBSVHJNIRT-UHFFFAOYSA-N 354.366 2.108 0 40 FEAB O=C1Nc2ccccc2[C@]12N=c1ccccc1=C(O)N2c1ccc(F)cc1 32090551 ZENOTWPCMIBBLB-OAQYLSRUSA-N 359.360 2.394 0 40 FEAB O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCOCC1 918075 PKMWWVPZCHEIFP-UHFFFAOYSA-N 366.299 2.481 0 40 FEAB C[C@H]1Cc2cc(C(=O)NOCc3ccccc3)ccc2N1S(C)(=O)=O 8097015 CJYWQHNUIZEGTH-ZDUSSCGKSA-N 360.435 2.259 0 40 FEAB CCNC(=O)CNC(=O)COc1c(C)cc(Br)cc1Cl 8094472 JDQKZXICANOUTB-UHFFFAOYSA-N 363.639 2.042 0 40 FEAB C[C@@H]1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H]2CCCC[C@H]12 102676633 CQWAYJCJRISQAB-DHHVXVLRSA-N 356.466 2.221 0 40 FEAB COCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 21896342 QEICHZYOYRDSQB-UHFFFAOYSA-N 369.343 2.326 0 40 FEAB CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NC[C@@H]1CCCO1 89943613 TZQWWKATSZOTEO-CVEARBPZSA-N 368.499 2.334 0 40 FEAB CC[C@H](OC(=O)CNC(=O)c1ccc(C)s1)C(=O)NCc1ccccc1 21976764 ARIROTSPAKXLLR-HNNXBMFYSA-N 374.462 2.425 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(Nc1cccc(C)c1C)CS2 102916277 WAYFSCFHPBOWJM-KRWDZBQOSA-N 360.487 2.068 0 40 FEAB COc1ccc(OC)c(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1 9189052 HLDAESHOBKUPAT-LFIBNONCSA-N 365.414 2.383 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2cc(-c3ccco3)on2)c2ccccc21 24117805 VQGCMXJJGVYDDO-UHFFFAOYSA-N 353.334 2.331 0 40 FEAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1 47039808 USQOZHUNSVTYLE-PDGQHHTCSA-N 364.405 2.332 0 40 FEAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N(C)c1ccccc1 24760552 JUMMNROYRXVDLM-GJZGRUSLSA-N 370.405 2.223 0 40 FEAB CC[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccccc1OCC(=O)NC 55574321 ONBSHQIHTKZCEK-MRXNPFEDSA-N 370.453 2.154 0 40 FEAB CO[C@@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 56471848 XKVIZWBTLJOVQN-KRWDZBQOSA-N 352.390 2.177 0 40 FEAB COc1ccc(-n2nnnc2C2(N)C3CC4CC(C3)CC2C4)cc1OC 35622314 USECMDVXDANYPF-UHFFFAOYSA-N 355.442 2.290 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C[C@@H](N(C)C)CCO2 108531700 PZXYHZGRVPJPJD-INIZCTEOSA-N 352.500 2.259 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 58218388 DACRWUNVKUZXFM-HNNXBMFYSA-N 359.813 2.492 0 40 FEAB Cc1nc(C2(NCC(=O)NC(=O)NCc3ccccc3)CCCCC2)no1 58201051 LROJLZWMKNHJKN-UHFFFAOYSA-N 371.441 2.153 0 40 FEAB COc1cc(CN(C)C(=O)NCCNC(=O)C2CC2)ccc1SC 58208847 CAHBSHXOTPTZHA-UHFFFAOYSA-N 351.472 2.085 0 40 FEAB Cc1c(Cl)cccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O 113965737 WPTKDIMYJXAWHW-UHFFFAOYSA-N 374.890 2.053 0 40 FEAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 12550316 FQYSXRNQPBHIIW-DHZHZOJOSA-N 356.451 2.259 0 40 FEAB Cc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cnn1C 10321424 TXWWDHITAVIUMU-UHFFFAOYSA-N 357.439 2.427 0 40 FEAB O=C(N[C@H]1COc2ccccc21)[C@@H]1CCCN1C(=O)Cc1ccccc1 58730227 BOOHZQCFCLKMPY-ROUUACIJSA-N 350.418 2.470 0 40 FEAB COC(=O)CCNC(=O)COc1c(C)cc(Br)cc1Cl 12612535 YNMISBAXRBXOLG-UHFFFAOYSA-N 364.623 2.469 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 11247022 PPOALMQAYHIMKJ-KRWDZBQOSA-N 361.405 2.336 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccncc1 48189691 DVCQJHDHGMQLAF-VIFPVBQESA-N 368.256 2.340 0 40 FEAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1 3452576 KPZKKCFIRJRWAW-UHFFFAOYSA-N 352.398 2.455 0 40 FEAB CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 12907127 WLIWDHJLPSFPED-UHFFFAOYSA-N 350.465 2.197 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12943270 JNNJRRGKKMMOIJ-CQSZACIVSA-N 357.410 2.381 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)C1CCCCC1 13038807 SQSUUXFOZHXXCG-UHFFFAOYSA-N 367.515 2.448 0 40 FEAB COc1cc(CC(=O)NC2(C(=O)O)CCCCC2)cc(OC)c1OC 13168230 WAWHQDNYSQVAOY-UHFFFAOYSA-N 351.399 2.159 0 40 FEAB COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)c1 408583846 XPAVELQSAXPZDT-UHFFFAOYSA-N 369.406 2.384 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1ncc2ccccc2c1=O 14224258 RWTXIUCUJAUYMA-UHFFFAOYSA-N 366.377 2.002 0 40 FEAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2ccccc2)n1 14470796 NDXHFVNYEHKLJZ-UHFFFAOYSA-N 350.330 2.240 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 7091303 NQCJUSHLNZCPEZ-CQSZACIVSA-N 368.389 2.373 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccccc2s1 7269385 AKNVCFAAGVZHMV-UHFFFAOYSA-N 358.423 2.490 0 40 FEAB Cc1ccc(C)c(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 96001751 AWKXLSXQTJUGNZ-MRXNPFEDSA-N 367.409 2.301 0 40 FEAB Cc1ccc2c(c1)c(/C=c1\sc3nc(C)c(C)c(=O)n3c1=O)c(C)n2C 409042251 WZGVXOFGVHNDSC-MFOYZWKCSA-N 365.458 2.389 0 40 FEAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N(C)C)CC1 96941529 ZCHGGFVUSLFHRP-ZDUSSCGKSA-N 365.428 2.198 0 40 FEAB COCCN(CC(=O)N1CCn2cccc2[C@H]1C)C(=O)OC(C)(C)C 72284747 RZQDIZUMVTWTBL-CQSZACIVSA-N 351.447 2.275 0 40 FEAB Cc1noc(C)c1N(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 72306745 LIZZXFNEFQWWFN-JTQLQIEISA-N 363.439 2.279 0 40 FEAB COc1cccc(CNC(=O)COC(=O)Cc2cccc(C)c2)c1OC 72331165 SOAOWRQTVVHBQT-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449216 RIPRDIDBVGJXIQ-XFBWCDHKSA-N 374.453 2.038 0 40 FEAB CN(C)c1ncccc1N(C)C(=O)COc1ccc2ccc(=O)oc2c1 79721851 IPCWFXLGMWVTLD-UHFFFAOYSA-N 353.378 2.296 0 40 FEAB O=S1(=O)CCC(CSc2nnc(NC[C@@H]3CCCO3)s2)CC1 89598143 HLEBGQQDAOSZGL-NSHDSACASA-N 363.530 2.046 0 40 FEAB CN(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306127928 GKYVLVIKBTXEPV-GOSISDBHSA-N 356.451 2.429 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 38679345 MWQNZIRMPHCCDV-GQCTYLIASA-N 369.421 2.378 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226086155 QLVIQVQLUHYROW-UHFFFAOYSA-N 356.488 2.306 0 40 FEAB CCOC(=O)[C@@H]1CS[C@H](c2cc(Br)c(O)c(OC)c2)N1 98072850 FSYZTUGKSYJGJG-JOYOIKCWSA-N 362.245 2.430 0 40 FEAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccccc21 95472305 UVTIJZWCJXUYKY-UHFFFAOYSA-N 353.422 2.077 0 40 FEAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 96183052 DQCIXGWBAQMBNG-CYBMUJFWSA-N 366.483 2.178 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C(=O)c1ccco1)C2 96044991 OZXSNLNUFDAUSQ-OAHLLOKOSA-N 359.426 2.196 0 40 FEAB COc1ccc(-c2cnc3n2CCNC32CCN(C(=O)N(C)C)CC2)cc1 96263380 BGHXVMLMVHBLQF-UHFFFAOYSA-N 369.469 2.135 0 40 FEAB CCOCCN1Cc2ncn(C)c2[C@H](COCc2csc(C)n2)C1 96045042 LRIQLZFTUULUPV-AWEZNQCLSA-N 350.488 2.338 0 40 FEAB CN(CCC(=O)N[C@H]1CCCN(c2ccccn2)C1)Cc1ccccn1 257245532 IPYBMVSRNWRNBQ-SFHVURJKSA-N 353.470 2.084 0 40 FEAB O=C(O)c1ccccc1-n1cc(CN2CC[C@H](Cc3cnccn3)C2)cn1 257307661 SZSIQSSAUQIIMH-OAHLLOKOSA-N 363.421 2.425 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1ccccc1Cl 257274175 NJWHXIIJWKUOBZ-QAPCUYQASA-N 363.889 2.462 0 40 FEAB COc1cccc(Oc2ncccc2CNC(=O)N2CC[C@H](C(=O)O)C2)c1 263307020 XVORYROXKDUTNW-AWEZNQCLSA-N 371.393 2.499 0 40 FEAB CNc1snc(C)c1C(=O)NCc1ccnc(N2CCSCC2)c1 634301831 BPTHZGABEZOBEK-UHFFFAOYSA-N 363.512 2.371 0 40 FEAB NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)NC2(Cc3ccccc3)CC2)CC1 641833903 CBVYENAXRJNJNA-ZWKOTPCHSA-N 371.481 2.074 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)nn1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 646363964 VLWVVUFGKMOCSR-VXGBXAGGSA-N 367.331 2.932 0 40 FEAB Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)Cn2cncn2)CCO3)s1 67805261 KRUABXCLPCAPDR-UHFFFAOYSA-N 370.434 2.442 0 40 FEAB CC(C)(C)N1CC[C@H](NC(=O)NCCc2nnc(-c3ccccc3)o2)C1 664501282 TWVZXWKJRJDLEL-HNNXBMFYSA-N 357.458 2.451 0 40 FEAB O=C(c1cnc(C2CC2)nc1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585275466 BHYURZBBDBMDBP-IBGZPJMESA-N 357.385 2.149 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc3ccccc3n1)[C@@H](C)C2 585097755 NVJUFOZSXILLRB-ZDUSSCGKSA-N 351.410 2.060 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)ccn1 1615160404 QTIJADNSUNEWGJ-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB CC(=O)N[C@@H]1CN(Cc2nsc3ccccc23)C[C@H]1c1nccn1C 1615548699 ILBYENXLAIFZOC-HUUCEWRRSA-N 355.467 2.134 0 40 FEAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cccc(Cl)c2)nn1 1549160727 HHXAUTJQKRWYJK-ZMSDIMECSA-N 364.877 2.147 0 40 FEAB CCC(CC)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311392 RWZMFMBJKSMNBL-UHFFFAOYSA-N 351.428 2.063 0 40 FEAB CCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1C 5870731 OHALMALXJGLHPQ-UHFFFAOYSA-N 367.405 2.299 0 40 FEAB CCc1nn(CC(=O)n2nc(C)cc2C)c(=O)c2cc3ccsc3n12 12131685 KJBWLIQIPQDVSZ-UHFFFAOYSA-N 355.423 2.427 0 40 FEAB Cc1ccc2c(c1)c(C)c(C(=O)NCCNC(=O)c1ccccn1)n2C 12148667 FCESVTMKKWCOPF-UHFFFAOYSA-N 350.422 2.350 0 40 FEAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@@H]1CCS(=O)(=O)C1 12226896 JATBZJYSEZFDMC-NEPJUHHUSA-N 356.494 2.039 0 40 FEAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 12602278 CUYTYCCTIUBSRB-YESZJQIVSA-N 364.559 2.296 0 40 FEAB biogenic,in-vitro COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 15272665 VPHZMXDDPRYNHI-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB CSc1ncc(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)cn1 19574086 USTYXKBBRCPLCK-HNNXBMFYSA-N 370.478 2.275 0 40 FEAB CCn1nc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2c1=O 19716921 MJMHXULWSRWUJD-UHFFFAOYSA-N 356.470 2.411 0 40 FEAB COCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(Cl)cc2)C1 19874660 JRKBCIZTRILIRY-UHFFFAOYSA-N 352.847 2.380 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 169680691 QNGZHUIMYNMKNW-BMFZPTHFSA-N 353.397 2.378 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219322147 AZGQCEDXQTYMJD-CQSZACIVSA-N 368.405 2.120 0 40 FEAB COc1ccccc1OCC(=O)NCC1CCN([C@H]2CCSC2)CC1 225569748 SBIKDWFRNNWZKP-INIZCTEOSA-N 364.511 2.408 0 40 FEAB C[C@]12CCC[C@](CO)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 257410936 DWSHSMIESAAXBC-CSEMPIMJSA-N 352.471 2.180 0 40 FEAB biogenic,in-vitro Cn1c(N2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)nc2ccccc21 1888888359 BSIVPXOKYOKWPX-CHWSQXEVSA-N 353.451 2.238 0 40 FEAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 1848356843 CYNCNYOUDWXDPS-BBVFFXRHSA-N 350.422 2.490 0 40 FEAB O=C(C1CCOCC1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848733434 FQZKWVRXTULTRE-UHFFFAOYSA-N 373.428 2.201 0 40 FEAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC4COC4)[C@@H](C)C[C@H]32)cc1 1775964448 VXAMCCRNPMKQGE-VVHHDAOASA-N 358.482 2.099 0 40 FEAB biogenic,in-vitro O=C(Cc1ccc2ccccc2c1)N1C[C@@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1776006357 RZKLVBBRKBSDNJ-WOJBJXKFSA-N 353.374 2.160 0 40 FEAB Cc1cc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)n2nc(C)cc2n1 2087038300 UNCVVOPXKVBIRD-GASCZTMLSA-N 352.417 2.453 0 40 FEAB CC(C)CN1C(=O)CC[C@@]12CCCN(C(=O)CCc1cncnc1)CC2 1565546675 CRASBOWAFBARAY-HXUWFJFHSA-N 358.486 2.439 0 40 FEAB COc1ccc(CN2C(=O)CCC23CCN(C(=O)c2cc[nH]n2)CC3)cc1 1565545288 FBXGWKMCLNXTCH-UHFFFAOYSA-N 368.437 2.216 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccccc1 2055745568 KFBMDCDOEMHJPY-AWEZNQCLSA-N 365.389 2.485 0 40 FEAB COC(=O)Cn1/c(=N\C(=O)c2ccnn2C)sc2cc(C(C)C)ccc21 101335360 PYODNHJXCXLOAO-CZIZESTLSA-N 372.450 2.474 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@](O)(c2ccco2)C2CC2)cc1F 75154973 ICFOQIOUJSCYSW-QGZVFWFLSA-N 369.414 2.394 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2F)c(C)c1 40135011 HUANNUKBJDLZCN-UHFFFAOYSA-N 372.443 2.199 0 40 FEAB O=C(COC(=O)[C@@H]1CCCN(c2ncccn2)C1)NC1CCCCCCC1 30832998 YBKRHJOZCKFYRB-MRXNPFEDSA-N 374.485 2.465 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cn1 89984871 UNDBKFMGJFEHIY-UHFFFAOYSA-N 364.379 2.066 0 40 FEAB O=C(Cc1cccc2ccccc12)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@H]2C1=O 2308426 DRWVSWJWKXPVCN-BLWAZIFISA-N 372.424 2.467 0 40 FEAB Cc1sc(-c2ccco2)nc1C(=O)NS(=O)(=O)C[C@H]1CCCCO1 102140177 BPQVFNLLLBFXRI-LLVKDONJSA-N 370.452 2.340 0 40 FEAB O=c1n(CCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccn12 32778011 UUMXWJCEVJINEP-MRXNPFEDSA-N 366.421 2.104 0 40 FEAB COC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 32769167 JCPXIMYLVRFBIQ-UHFFFAOYSA-N 354.362 2.375 0 40 FEAB Cc1ccc(N2N=C(C(=O)NCCCOC3CCCCC3)NCC2=O)cc1 32720451 GAJVWISSFJPMGM-UHFFFAOYSA-N 372.469 2.100 0 40 FEAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NC1CCCCC1 6750776 WLUWRBHLQVSTEA-JKSUJKDBSA-N 371.481 2.023 0 40 FEAB biogenic Nn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 7983658 HFZMNGQZHCSJFH-UHFFFAOYSA-N 351.395 2.396 0 40 FEAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC2(CC1)OCCO2 24996628 RXLPFBCBEYZKNL-UHFFFAOYSA-N 364.829 2.446 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2Cl)cc1 664863 BGIHTODDPUKNSC-UHFFFAOYSA-N 352.843 2.243 0 40 FEAB Cc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCCC1 1360705 ILHOTBDVJXGQIY-UHFFFAOYSA-N 359.451 2.105 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc(OC)c1OC 25970303 XCYLNQPYAKKRNX-GFCCVEGCSA-N 374.393 2.293 0 40 FEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C1 44285512 JFJFJHYVMYAVSC-IAGOWNOFSA-N 365.543 2.463 0 40 FEAB O=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nc2n1CCCCC2 57411356 UIUWLQLZUZTOSN-UHFFFAOYSA-N 361.877 2.204 0 40 FEAB Cc1ccc2nc(COC(=O)C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc(=O)n2c1 101818523 VDRAZPSJSFPNGH-LDSOLPTJSA-N 368.433 2.377 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082565 UKPDNAJAMSQXGW-GBALJZQLSA-N 350.418 2.295 0 40 FEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1cccnc1 36385866 BDZWYPDUAOANJD-BBWFWOEESA-N 355.438 2.310 0 40 FEAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCCc1ccc(Cl)cc1Cl 3278731 WRFOXFOEUUOUNO-UHFFFAOYSA-N 373.265 2.426 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2nccs2)CC1 12698522 RTASYDKMCCBLHW-CQSZACIVSA-N 360.483 2.151 0 40 FEAB COc1cc(CNC(=O)[C@@H](C)NC(C)=O)ccc1OCc1ccccc1 12739876 GKAMYBVMFWASAL-CQSZACIVSA-N 356.422 2.415 0 40 FEAB C[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 12761809 IYLIAPDVVAWFHG-PXAZEXFGSA-N 373.840 2.270 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2NC1=O 12790656 FENAQTJSRIRLOV-ZWNOBZJWSA-N 351.362 2.471 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1cccs1 48301479 NFHCGYGKUPIGSR-WCQYABFASA-N 352.456 2.163 0 40 FEAB C[C@H](NC(=O)CN1CSCC1=O)c1cccc(OCc2ccccn2)c1 48375181 OOFVKORNVSLORA-AWEZNQCLSA-N 371.462 2.371 0 40 FEAB CC(=O)N[C@H](C(=O)Nc1cccc(I)c1)C(C)C 12853460 DIOHLHBUQXOOAY-LBPRGKRZSA-N 360.195 2.390 0 40 FEAB CCc1cccc(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 12982460 KPDJETZRTQFKPL-ZDUSSCGKSA-N 362.451 2.153 0 40 FEAB CCN(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12986951 QJFLRCPLDFVCNF-UHFFFAOYSA-N 350.422 2.194 0 40 FEAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2cnc3ccsc3c2=O)cc1 12904327 FQRQQCLXBNLKAO-ZDUSSCGKSA-N 374.418 2.075 0 40 FEAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccs2)CC1 6244638 DARRJPPMRSNDBK-UHFFFAOYSA-N 351.453 2.183 0 40 FEAB CCOc1cc(OCC)c(/C=C2\NC(=O)NC2=O)cc1Br 14009280 BUOATCAHYIPCGH-POHAHGRESA-N 355.188 2.427 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 4776353 JKJYKDAMLJYZOI-UHFFFAOYSA-N 368.422 2.206 0 40 FEAB CC1(C)Cc2c(sc3c2-c2nnc(S)n2-c2nnc(S)n2-3)CO1 6782498 YDZGVXMQMZJNIR-UHFFFAOYSA-N 364.481 2.319 0 40 FEAB Cc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1O 4835384 UJJYAQUPDVTPKS-UHFFFAOYSA-N 372.396 2.345 0 40 FEAB COc1ccc(NC(=O)CCCc2cccs2)cc1S(N)(=O)=O 5950723 VWNCJUKWNHMWRC-UHFFFAOYSA-N 354.453 2.366 0 40 FEAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC(=O)NCc1ccccc1 7062206 LBBDFUJJXPOIOS-LBPRGKRZSA-N 366.377 2.134 0 40 FEAB CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 80255311 WSWJYQOEICEJER-UHFFFAOYSA-N 355.369 2.308 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 15762564 NPLJEOSRZNODTM-KGLIPLIRSA-N 352.456 2.295 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)Cn1cnc2sccc2c1=O 7990353 OGZBDFXTVOXSMQ-UHFFFAOYSA-N 370.434 2.237 0 40 FEAB O=C1CCCN1c1ccc(C2=NN=C(NC[C@@H]3CCCO3)SC2)cc1 9417047 IPBGVEVYSZHVPY-HNNXBMFYSA-N 358.467 2.389 0 40 FEAB CN(C)[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1 9512441 VANSIKQTHCSWKV-INIZCTEOSA-N 354.410 2.182 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)NC(=O)c1ccco1 9836579 BYYMWUBCORBUCV-UHFFFAOYSA-N 356.309 2.389 0 40 FEAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3nccs3)CCC2)cc1 84157365 GWQSZYRGGYFYLT-UHFFFAOYSA-N 350.465 2.464 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(Cc2ccccc2)CC1 20625318 DEYDGYCAKWWSNT-UHFFFAOYSA-N 365.481 2.037 0 40 FEAB C[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 95462080 UJEGDSWZGQGJCN-YOEHRIQHSA-N 356.463 2.013 0 40 FEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnn(-c2ccccc2)n1 95454842 ZVEHSPUNCQPORI-CYBMUJFWSA-N 352.402 2.078 0 40 FEAB O=C(Cc1nc(-c2cccc(NC(=O)C3CC3)c2)no1)NCC(F)(F)F 95943495 SNKITOUPWUHMMU-UHFFFAOYSA-N 368.315 2.306 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)Nc1ccc2c(c1)OCO2 409322741 KQNHPXQTNPSJRS-VGOFMYFVSA-N 371.374 2.418 0 40 FEAB O=S(=O)(c1ccc(OCc2cccc(F)c2)cc1)N1CCOCC1 9953451 KTQDBIYHEOBWSX-UHFFFAOYSA-N 351.399 2.426 0 40 FEAB Cn1cc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cn1 306129218 HXTTXVBFIALTGW-WOJBJXKFSA-N 361.449 2.303 0 40 FEAB CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 39985209 VDRCDIBPKOCBLL-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB C[C@@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CC12CCC2 538931232 HGCVCRVLOZWLAP-GFCCVEGCSA-N 368.437 2.484 0 40 FEAB O=C(NCc1ccco1)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 75166078 DNCQDMYRMBODJC-OAHLLOKOSA-N 367.409 2.403 0 40 FEAB CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1cc(F)ccc1OC 39986352 HGGLDGHDDVLIBV-UHFFFAOYSA-N 372.462 2.103 0 40 FEAB Cc1c(S(=O)(=O)N2CCC[C@H](OCc3ccccc3F)C2)cnn1C 566596986 DWPJUROPDTWCQX-HNNXBMFYSA-N 367.446 2.238 0 40 FEAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccccc2F)C1=O 71288411 QWRLWDSVMMDMSZ-GFCCVEGCSA-N 365.368 2.344 0 40 FEAB C[C@H](C(=O)NCCOc1ccccc1)N(c1ccccc1)S(C)(=O)=O 223703350 GUCVFYSMGZXJHD-OAHLLOKOSA-N 362.451 2.036 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1 223793773 PWQXBCFJGUMPMP-UHFFFAOYSA-N 372.859 2.228 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCC2=CCCCC2)Oc2ccccc21 224226848 ZBWHXPSOFVTTFE-KRWDZBQOSA-N 364.467 2.220 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(=O)O 571931285 SOARFNHKCQGHMN-JTQLQIEISA-N 354.453 2.287 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 47080925 JFXIBBCUKIBCLG-UHFFFAOYSA-N 355.394 2.087 0 40 FEAB O=C(NC[C@H](Oc1ccc(Br)cc1)C(=O)O)C1CC=CC1 583027601 VJWGBFZSORKOOV-ZDUSSCGKSA-N 354.200 2.364 0 40 FEAB Cc1ccc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)cc1 248152886 KKXBPMHKTSQLPS-KRWDZBQOSA-N 363.479 2.051 0 40 FEAB O=S1(=O)CC[C@@H](COCc2ccccn2)C12CN(C1CCCC1)C2 247346309 UPUMLZDIDHSONC-HNNXBMFYSA-N 350.484 2.030 0 40 FEAB Cn1cc(CN2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)cn1 257250660 JNLLRQUSQSMIBH-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB Oc1cc(CCc2ccccc2)nc2c(CNCC3CCNCC3)cnn12 257333100 YADRXNRTZMLDLT-UHFFFAOYSA-N 365.481 2.309 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2cccnc2)C1 257255020 KFUBKAGYIPUGJL-MRXNPFEDSA-N 351.406 2.471 0 40 FEAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(Cl)c1)C2 253381073 COWMEEAVRUTKKO-CYBMUJFWSA-N 357.859 2.006 0 40 FEAB Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCNC34CCCC4)CC2=O)ccc1F 648211315 OACZRAINMHYNHQ-RHSMWYFYSA-N 359.445 2.278 0 40 FEAB O=C(NC[C@@H](Oc1ccc(F)cc1)C(=O)O)c1ccc2c(c1)CCOC2 659140751 VIZBFYUJWANWDC-QGZVFWFLSA-N 359.353 2.160 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 673124430 NAGPNBQNHJMWOW-UHFFFAOYSA-N 369.469 2.128 0 40 FEAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC(c2cccnc2)CC1 678163533 PWDXXRKUORPGPC-CQSZACIVSA-N 370.375 2.134 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)N2CCCN(c3ccccc3)CC2)cc1 617244477 KOQJVKNPXXCNHS-UHFFFAOYSA-N 373.478 2.411 0 40 FEAB C[C@H](Oc1ccc(NC(=O)[C@@H]2CCc3ncncc3C2)cc1F)C(=O)O 630260771 OUJYLCSXAJBGAT-WDEREUQCSA-N 359.357 2.211 0 40 FEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cnc(C)nc2O)C1 585277356 SOPCFDVGVOTMBT-IBGZPJMESA-N 357.410 2.191 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)c1 585275799 HGFDLODDQKDREL-HXUWFJFHSA-N 353.422 2.318 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)c1cccnc1Nc1cccc(F)c1 51744382 ABYRRTSZUBWTQK-UHFFFAOYSA-N 374.372 2.357 0 40 FEAB Cc1c(C(=O)Nc2c[nH]ccc2=O)sc2nc3n(c(=O)c12)CCCCC3 52964410 UPGBQSBVTCLCLP-UHFFFAOYSA-N 370.434 2.433 0 40 FEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 58184454 AGOYCYREGKEENL-INIZCTEOSA-N 365.361 2.432 0 40 FEAB COc1ccc(S(=O)(=O)N2CC=C[C@@H]2C(=O)NC2CCCCC2)cc1 12115035 NSLFFYBOARMVTE-QGZVFWFLSA-N 364.467 2.073 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19348104 YHOJADWCBHERAH-OAHLLOKOSA-N 354.429 2.210 0 40 FEAB Cc1nn(C)cc1-c1cc(C(=O)NCCc2nc3ccccc3n2C)on1 19584100 LYXHWMOWRXSASY-UHFFFAOYSA-N 364.409 2.243 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19590560 AKWPUKFKYOLQGR-QGZVFWFLSA-N 352.438 2.450 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 169296136 KHWMYTSEJQOBMD-KZNAEPCWSA-N 356.466 2.430 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(c4nnc(C5CC5)s4)CC3)nn2)n1 1888900888 GOKYWLHPCGAOEP-UHFFFAOYSA-N 368.470 2.026 0 40 FEAB O=C1N[C@H](C(=O)NCCc2ccccc2)CS[C@H]1Cc1ccccc1F 29506572 BGHHEORWDFFDAO-ROUUACIJSA-N 372.465 2.327 0 40 FEAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccc(F)c(F)c3)[C@@H]2CN1 2037983709 CVNLRNXZIXVZCL-XFQXTVEOSA-N 358.388 2.448 0 40 FEAB COCCCN1CCO[C@H]2CN(C(=O)Nc3ccccc3SC)C[C@@H]21 2056223988 KTGCDKBGOBOAPJ-HOTGVXAUSA-N 365.499 2.362 0 40 FEAB COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 7422602 MBVAMZVKMCHGAU-UHFFFAOYSA-N 365.393 2.014 0 40 FEAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 8987125 WEZBGHHJGLPSAD-GFCCVEGCSA-N 356.353 2.337 0 40 FEAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1cccnc1 12069872 FFSTZPARTQUIHK-UHFFFAOYSA-N 367.380 2.428 0 40 FEAB CN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 13006766 CRADXNIBGJNQQQ-UHFFFAOYSA-N 369.440 2.183 0 40 FEAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1ccccc1Cl)CC2 2055732408 IHUDGWSXMRFDON-LLVKDONJSA-N 369.874 2.225 0 40 FEAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccc2c(c1)OCO2 575613872 XFLSQQFILDECKI-OAQYLSRUSA-N 369.417 2.460 0 40 FEAB CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccs3)n2n1 4326834 MNZNBPPFEHIRJJ-UHFFFAOYSA-N 362.436 2.467 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2cnc3cc(F)ccc3c2=O)cc1F 40010021 QGZQKYWDYMBWGT-UHFFFAOYSA-N 373.359 2.342 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1)C1CC1 50446646 OUGVTSUBTOJQRA-HNNXBMFYSA-N 355.438 2.166 0 40 FEAB COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)OCC(=O)c1ccc(OC)cc1 100399377 ONFSNMPRGOMFHO-GZXFCSGKSA-N 370.401 2.278 0 40 FEAB C[C@H](CC(=O)NCCN1CCc2ccccc2C1)NC(=O)c1ccccc1 31339548 BICDDOOJSFRRCH-QGZVFWFLSA-N 365.477 2.370 0 40 FEAB Cc1ccc(C(=O)NC2CCN(C(=O)CCNc3ncccn3)CC2)s1 50803607 IMYPXGSMSXVYNT-UHFFFAOYSA-N 373.482 2.070 0 40 FEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@@H](O)[C@@]21C 20411633 AGRFRTKLCPEWTJ-DUKKWFAFSA-N 363.498 2.381 0 40 FEAB biogenic COc1ccc2c(ccn2CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 32123936 ONQQHCJAXBGEMN-KRWDZBQOSA-N 352.390 2.462 0 40 FEAB biogenic O=C1[C@H]2C(c3cccnc3)=NO[C@H]2C(=O)N1c1ccc(Br)cc1 101359204 AQJDONKHRHTKHS-GXTWGEPZSA-N 372.178 2.137 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c1 3467230 KDYMCPISZURTOU-UHFFFAOYSA-N 373.438 2.489 0 40 FEAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3cccs3)c(=O)n1C2 4258949 CQGYVQISWUDQRA-QWHCGFSZSA-N 357.435 2.128 0 40 FEAB biogenic,in-vitro CC1CCN(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)CC1 32759260 KFGURPVUFBZVIN-UHFFFAOYSA-N 351.516 2.349 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 2629972 QGMYHWIZYGVNPA-OAQYLSRUSA-N 363.417 2.351 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 4999902 HWUDSEGYCUIGST-UHFFFAOYSA-N 359.332 2.100 0 40 FEAB COc1cc(C[C@H]2Cc3cccc(=O)c(O)c3C(=O)O2)cc(OC)c1OC 6403579 DGOTZMGGFJMMRR-ZDUSSCGKSA-N 372.373 2.102 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1C 6826025 FOKAAQILQWGRSI-OAHLLOKOSA-N 368.499 2.177 0 40 FEAB CCOc1cccc(/C=N\NC(=O)c2ccc(OC)cc2)c1OCC(=O)O 6965031 JFIDZAFERRRETI-JAIQZWGSSA-N 372.377 2.321 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccccc3)C2=O)cc1 7201058 UZRXATSFJOMAMQ-UZLBHIALSA-N 354.406 2.202 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1COc2ccccc2O1 2708031 KFLTXJWGBYUFKW-KRWDZBQOSA-N 373.361 2.269 0 40 FEAB COc1cccc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 644306 LJVNBJMPJSIKDV-UHFFFAOYSA-N 354.406 2.349 0 40 FEAB CC(C)[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 41931175 KDSNVSBAOIAJOV-DLBZAZTESA-N 352.500 2.214 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)C1 53502401 PQHOJUCQBTZEBF-AWEZNQCLSA-N 372.469 2.288 0 40 FEAB CC1CCN(C(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 807699 OHURFBBWCHYZLH-GFCCVEGCSA-N 360.483 2.236 0 40 FEAB COCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O 2809814 FFPVHFFGCWNGMK-UHFFFAOYSA-N 354.406 2.041 0 40 FEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCC1(c2ccccc2)CC1 23207546 ORIRZAFAJJBGDE-UHFFFAOYSA-N 352.221 2.398 0 40 FEAB O=C(CCn1cnc2sccc2c1=O)NC[C@@H]1COc2ccccc2C1 54689037 CLGTWVWGSCJDON-CYBMUJFWSA-N 369.446 2.216 0 40 FEAB COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1ccc(C(N)=O)cc1 55007825 JMEMDPKEYJLMFW-LBPRGKRZSA-N 372.446 2.369 0 40 FEAB C[S@@](=O)c1ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc1F 76094295 YYVVFISJIJHJNI-DEOSSOPVSA-N 359.423 2.209 0 40 FEAB C[C@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 24978955 DSIWEOXRBXPHSW-QWHCGFSZSA-N 369.421 2.235 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)N2CCO[C@H](c3ccccc3)C2)ccn1 77718093 XOCSUANUWZHCAA-KRWDZBQOSA-N 354.410 2.389 0 40 FEAB O=C(NC(=O)c1ccccc1)OCCOC(=O)NC(=O)c1ccccc1 1893152 WCIXJBYZPKELHL-UHFFFAOYSA-N 356.334 2.120 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3cccc(C)c3)c(=O)n2)cc1 44804192 TXXZFHLVVXVEPC-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB CC(C)N(CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(C)C 10214724 GDDRIMQHBMNFIG-UHFFFAOYSA-N 356.470 2.191 0 40 FEAB Cc1nc(C2(NC(=O)CNC(=O)Cc3ccccc3)CCCCCC2)no1 58214268 GIOCOVHNGAZTOR-UHFFFAOYSA-N 370.453 2.403 0 40 FEAB O=C(CCNC(=O)c1n[nH]c2ccccc12)NCCCOc1ccccc1 58312005 OXWLHQREAWYOLR-UHFFFAOYSA-N 366.421 2.268 0 40 FEAB Nc1cc(=O)[nH]c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n1 12619845 VSYULRATTCWRPG-UHFFFAOYSA-N 373.265 2.110 0 40 FEAB CCOc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC 3383131 ITJANOWOGFAHPU-UHFFFAOYSA-N 355.350 2.013 0 40 FEAB COc1ccc(OCCN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 36686331 IGBWVFYDBOKQEE-UHFFFAOYSA-N 368.389 2.072 0 40 FEAB COCCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2429540 WSFBQARXAQKKAT-GFCCVEGCSA-N 370.409 2.149 0 40 FEAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)NC(N)=O)o3)cc2C1 12807192 CEYJYCDVKYVVIE-ZETCQYMHSA-N 352.441 2.210 0 40 FEAB C[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 4024858 WLUKXZBJOJXVNO-GFCCVEGCSA-N 367.357 2.428 0 40 FEAB biogenic CCOC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 5051386 GNHJEXXBNYAANH-UHFFFAOYSA-N 352.398 2.070 0 40 FEAB Cc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)sc2c1 8708555 MNOQHXDCVNAGLT-QGZVFWFLSA-N 358.423 2.264 0 40 FEAB Cn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccc1F 4816361 YSKIPZOUVQOEKO-UHFFFAOYSA-N 350.404 2.204 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCCCO2 7287493 QMCCSNKDUHEELW-UHFFFAOYSA-N 358.394 2.285 0 40 FEAB Cc1cc(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c(C)n1CC(F)(F)F 9114722 QOOFHHFBORBERQ-GFCCVEGCSA-N 357.332 2.277 0 40 FEAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)N(C)C)c1 19537743 AWTLAFSIXAAIMM-LJQANCHMSA-N 355.438 2.395 0 40 FEAB Cc1cc(CN[C@@H]2CCCN(c3cccnc3)C2=O)ccc1-n1cncn1 97106932 JEFDTTTWGKIYAU-GOSISDBHSA-N 362.437 2.256 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1 95367619 XCPLIGYREVNQGV-INIZCTEOSA-N 352.456 2.321 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 84718107 QLGOKMWZNZDBTF-STQMWFEESA-N 368.389 2.391 0 40 FEAB COCCn1cc(NC(=O)N2CC(OCCCc3ccccc3)C2)cn1 75107532 NRBYRRKLIYZFAX-UHFFFAOYSA-N 358.442 2.395 0 40 FEAB O=NN(C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 65748215 IHMWYJBQUYYPCU-MRXNPFEDSA-N 373.365 2.481 0 40 FEAB in-vitro O=C(CN1CCN(Cc2ccc3c(n2)CCC3)CC1)Nc1ccccc1F 516912093 CTLHXSNFAHVFIF-UHFFFAOYSA-N 368.456 2.466 0 40 FEAB CN(C)C(=O)N1CCN(C(=O)c2cncc(Br)c2)C(C)(C)C1 408126480 PAKVOSVXHFDLHJ-UHFFFAOYSA-N 369.263 2.062 0 40 FEAB COc1cc(C(=O)N2CCCc3cc(C)ccc32)ccc1OCC(N)=O 39995466 PFVTXIFERNUEBV-UHFFFAOYSA-N 354.406 2.461 0 40 FEAB Cc1ccc(-c2cc(C(=O)NC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325487 VIXCWQXKYBQCEF-OAHLLOKOSA-N 361.467 2.356 0 40 FEAB COc1ccc([C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C(=O)O)cc1F 565364362 QDXHAOZJULPGJD-QFYYESIMSA-N 361.373 2.169 0 40 FEAB COCCn1ccc2nc3nc(C)nn3c(-c3cccc(OC)c3)c2c1=O 40398493 IJYLVWMAKMDRFU-UHFFFAOYSA-N 365.393 2.070 0 40 FEAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cc2c([nH]c1=O)CCCC2 131161077 JTIINPZWCFXGKI-HNNXBMFYSA-N 352.438 2.048 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(-c3cccnc3)on2)c1C 45035786 PNXDHOUGQLRJCL-UHFFFAOYSA-N 372.406 2.253 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cn1 47223895 FAOLZYYQJHQQRI-UHFFFAOYSA-N 369.240 2.429 0 40 FEAB O=C([C@H]1CCc2cncn2C1)N1CCN(c2nc3ccccc3s2)CC1 573395330 OVQNSLMWOMXXFD-AWEZNQCLSA-N 367.478 2.404 0 40 FEAB COc1cccc(CNC(=O)CN2C(=O)CSc3ccccc32)c1OC 45189931 QOHKATFCXMMHGG-UHFFFAOYSA-N 372.446 2.459 0 40 FEAB Cc1ccc(CN2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)s1 96059600 NXGXPACQMWWSQQ-UHFFFAOYSA-N 355.467 2.264 0 40 FEAB Cc1occc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96230471 QLARFWSIPVISLL-HXUWFJFHSA-N 371.412 2.290 0 40 FEAB Cc1ccccc1[C@H](O)[C@@](Cl)(I)S(C)(=O)=O 96520018 PJKNVAONEPAJCX-VHSXEESVSA-N 374.627 2.401 0 40 FEAB O=C(O)c1cccc(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)n1 263404994 KGXJVWMVINLMGZ-LBPRGKRZSA-N 350.758 2.350 0 40 FEAB CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1ccc(O)cc1F 286291335 HOFCVHKKPFDBRH-SCLBCKFNSA-N 360.433 2.420 0 40 FEAB O[C@]1(Cc2nc(-c3ccncn3)no2)CCCN(Cc2ccccc2)C1 643966037 GZSCFVMCYPFCOR-IBGZPJMESA-N 351.410 2.096 0 40 FEAB CC(C)CN1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)[C@H](C)C1=O 635821173 IAJVBVONDRHYBY-SNVBAGLBSA-N 359.348 2.135 0 40 FEAB O=S(=O)(c1csc2ccc(Cl)cc12)N1CC[C@@H]2OCCN[C@@H]2C1 564969972 ADPOEVVDIRMSAG-OLZOCXBDSA-N 372.899 2.306 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2cccc(O)n2)[C@@H]1Cc1ccccc1 585281325 WETKJNDQEIIKNZ-WMZOPIPTSA-N 353.422 2.139 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1 585271964 IXZBTKMTUNAGKQ-HXUWFJFHSA-N 357.454 2.310 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)C3CC3)n2)c(OC)c1 58225068 JCGXRRQFXZIEHF-SNVBAGLBSA-N 362.455 2.496 0 40 FEAB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)Nc1ccc(F)cc1 103427538 NTSXWIHXTXOCLY-RLFYNMQTSA-N 359.445 2.345 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)Cc1cccnc1)CC2 630160325 AEJLPHIMJIXEEA-MRXNPFEDSA-N 370.405 2.242 0 40 FEAB COCCN1C(=O)CN(C2CCN(Cc3ccccc3Cl)CC2)C1=O 952987035 NLCUWLSCDGFUCB-UHFFFAOYSA-N 365.861 2.215 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H](C)O3)cc1-n1cccc1 1615591926 PESATHDGGSHUPA-OAHLLOKOSA-N 353.422 2.253 0 40 FEAB CC(C)(C)NC(=O)N[C@@H](C(=O)N1C[C]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C 1560406661 LQFDISJRAZFLLJ-AVGNSLFASA-N 366.482 2.025 0 40 FEAB CCCCOC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 5083626 FTNOBRDDEORBIX-UHFFFAOYSA-N 371.484 2.139 0 40 FEAB CN1CCCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12326419 VJLNLVUXIAWGDB-DZJZLKLXSA-N 354.450 2.211 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2n[nH]c3nccnc23)C1 12365046 AHKXGINFZUIYNK-LBPRGKRZSA-N 367.409 2.390 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2cccs2)cc1 14043417 AMHCIYZUMNKTAK-NEPJUHHUSA-N 368.480 2.301 0 40 FEAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2ncccn2)CC1 14271019 PCWIZNKQVGUJCU-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB Cc1ccc(NC(=O)CN2CCc3ccccc32)cc1S(=O)(=O)N(C)C 16480363 GMKFCHIJZRIPFM-UHFFFAOYSA-N 373.478 2.247 0 40 FEAB CCCCOC(=O)c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 19958824 UZBANOIHAZCMFV-UHFFFAOYSA-N 363.377 2.385 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccccc1F 151773838 RFUABIVYWZNEAY-UHFFFAOYSA-N 368.405 2.090 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225502807 XYQCVLBPHXWOOM-OAHLLOKOSA-N 373.457 2.150 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CC(F)(F)C5)C[C@@H]4C3)n1)CCC2 1888856787 GCQWDPRZCHQVON-KBPBESRZSA-N 362.424 2.214 0 40 FEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4c3cnn4C)CC2)n1 1888892692 BIVLBJPNBJWGIN-UHFFFAOYSA-N 371.420 2.205 0 40 FEAB CCc1ncnc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1F 1888909492 HYJFODILMPVXPG-UHFFFAOYSA-N 371.464 2.203 0 40 FEAB O=C1CC[C@@H](c2nc(CNC3CCOCC3)no2)N1CCc1ccccc1 1775963838 GHEOGKOWGJEQBP-KRWDZBQOSA-N 370.453 2.244 0 40 FEAB biogenic,in-vitro CCS(=O)(=O)N1CCC([C@H]2CCCCN2Cc2cccnc2)CC1 2056225076 ATUQFHABMXKJPR-GOSISDBHSA-N 351.516 2.498 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)CC4(O)CCC4)C3)C2=O)n1 1614937107 GOJAYAGBHQUOTK-FQEVSTJZSA-N 371.481 2.036 0 40 FEAB O=C(C1CC(F)(F)C1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565550379 AZKHOAXITHGZLD-UHFFFAOYSA-N 374.395 2.150 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(-c3cccs3)[nH]n1)C2 585150163 BAWAZZJWYYPZLO-LBPRGKRZSA-N 368.466 2.282 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 49026928 HHFOAUZIOITGSU-LBPRGKRZSA-N 352.774 2.038 0 40 FEAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 40012864 RXQQRFLLGJHENL-UHFFFAOYSA-N 352.390 2.312 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 40121492 AVWMGJATUJGYNC-CQSZACIVSA-N 372.469 2.398 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 40106329 CKSKHUQPGZPLAS-QWHCGFSZSA-N 357.476 2.022 0 40 FEAB COc1c(C)cnc(CNC(=O)c2ccc(N3CCNC3=O)c(C)c2)c1C 50770253 XGPKAMAVYVRCJS-UHFFFAOYSA-N 368.437 2.475 0 40 FEAB COCCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32100844 VUXDUDJSZONGRY-UHFFFAOYSA-N 357.797 2.415 0 40 FEAB Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1 804494 AHVRZFMIJYABII-UHFFFAOYSA-N 351.366 2.324 0 40 FEAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1 932413 CHFDEZWPNRBRLZ-UHFFFAOYSA-N 369.406 2.430 0 40 FEAB CC(=O)[C@H]1[C@@H](c2ccccc2OC(F)F)NC(=O)N[C@]1(O)C(F)(F)F 4035163 DSGBODYJDMNJDK-OPQQBVKSSA-N 368.258 2.098 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N12 4450304 BHNLYGBJMNKDTM-IRODIIKFSA-N 353.418 2.442 0 40 FEAB Cn1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 6335617 JSMXUJMMMNOHRI-INIZCTEOSA-N 366.421 2.093 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cc1 7361971 JVJCRJDKNVSNGH-UHFFFAOYSA-N 364.423 2.059 0 40 FEAB COc1ccccc1CN(C)CCC(=O)N1CCN(c2ccccn2)CC1 37170645 GGBYBCDJWLPDTM-UHFFFAOYSA-N 368.481 2.261 0 40 FEAB NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692173 UPDMGDZQKWIUHB-UHFFFAOYSA-N 351.255 2.021 0 40 FEAB O=C(NCC(=O)N1CCCCC1)C(=O)Nc1ccc2c3c(cccc13)CC2 41756027 GCJMJBFQZMXMOY-UHFFFAOYSA-N 365.433 2.006 0 40 FEAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cc2ncc(Br)cn2n1 2791839 OHMXZSSNPGBHOI-QMMMGPOBSA-N 363.219 2.025 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OC)c(OC)c1 723879 WYOMTZJUOAMWGI-HNNXBMFYSA-N 350.440 2.402 0 40 FEAB Cc1ccc(-c2nc(COC(=O)c3ccccc3OCC(N)=O)no2)cc1 22977008 BWZPJDZPNAOEAC-UHFFFAOYSA-N 367.361 2.266 0 40 FEAB O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccc[nH]2)cs1 23082884 AONBRUIFSFMTIJ-UHFFFAOYSA-N 351.391 2.487 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1 23025721 JQQQDFSGWDXWLU-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086007 RLFDPEJNHPEXOW-OVQIEKSOSA-N 366.417 2.077 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(CCOc2ccccc2)CC1 23718437 YGGOBDODGKFPLE-UHFFFAOYSA-N 352.481 2.133 0 40 FEAB O=C(CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)NC1CC1 22801442 YMYDUOYSBLRHRQ-UHFFFAOYSA-N 362.524 2.268 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 12552708 DGJDJDTVYLTQMD-UHFFFAOYSA-N 374.418 2.183 0 40 FEAB O=c1c2ccccc2n2nnnc2n1OCc1ccc(Cl)cc1Cl 35170745 IOJHEZBPOMIRGR-UHFFFAOYSA-N 362.176 2.375 0 40 FEAB Oc1ccccc1N1CCN(Cc2c(O)nnn2-c2ccccc2)CC1 57085552 VAHAACBVMTYVHC-UHFFFAOYSA-N 351.410 2.001 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)CCCNC(=O)C2CC2)ccc1Cl 57145307 LCYYTWHIKSILQF-UHFFFAOYSA-N 351.834 2.287 0 40 FEAB NC(=O)CCN(C(=O)CN1CCc2sccc2C1)c1ccc(F)cc1 57442506 YCMKJQRVFPBEBK-UHFFFAOYSA-N 361.442 2.154 0 40 FEAB COc1cccc(Nc2nnc(Sc3ccc4nnnn4n3)s2)c1 12637685 UNXCJMHZWWKAKA-UHFFFAOYSA-N 358.412 2.274 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 58215645 ZBGNKOXZDBBAHZ-PMACEKPBSA-N 357.498 2.416 0 40 FEAB COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 58415472 KMPZHZQYMPTKKI-HOCLYGCPSA-N 368.433 2.460 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 28201398 QUJYESHMTRLMDK-UHFFFAOYSA-N 357.410 2.471 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccccc2CS(C)(=O)=O)c1 59013888 DGAAIOHSYCFRPG-QHCPKHFHSA-N 365.476 2.362 0 40 FEAB NC(=O)NCCCCCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146339 QMOXPOMPMCGCJT-UHFFFAOYSA-N 372.425 2.377 0 40 FEAB CCc1cccc2c([C@@H](O)CN3CCN(c4ncccn4)CC3)c[nH]c12 12896554 BAOGDCNNWHWJEL-SFHVURJKSA-N 351.454 2.376 0 40 FEAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1sccc1C(N)=O 3497691 HFWBSPSVCFGLHX-UHFFFAOYSA-N 368.798 2.305 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@H](C)C(C)C)cc2C1=O 3549977 PWZYOWWGTQCTJT-CYBMUJFWSA-N 374.437 2.400 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 39546220 AOCZWQGDDODBAB-OAHLLOKOSA-N 355.413 2.293 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](C)On1nnc2ccc(Cl)cc21 14085505 XHVZCLXMYHLMBI-LLVKDONJSA-N 360.801 2.227 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 14210738 CZMYMOVAEHMBTJ-LLVKDONJSA-N 363.391 2.226 0 40 FEAB O=C(Cn1cnnn1)Nc1nnc(SCc2ccc(Cl)cc2)s1 6836910 BQHCSKBWIZIJCE-UHFFFAOYSA-N 367.847 2.109 0 40 FEAB Cc1cc(C)c(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(=O)[nH]1 16513357 OEKQTCJAWCDSLD-UHFFFAOYSA-N 370.384 2.430 0 40 FEAB Cc1ccc(Nc2nc(N)nc(CSc3nnnn3C3CC3)n2)cc1 8027132 NIDHYUCXFKLRQQ-UHFFFAOYSA-N 355.431 2.120 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247453 PQPLCVZOSHCRDX-OAHLLOKOSA-N 354.406 2.373 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc4c(c3)CCC4)ccc2N1 9338454 SULVRRRLUUEXKV-UHFFFAOYSA-N 371.418 2.257 0 40 FEAB Cc1nc2ccccc2n(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c1=O 79474906 IYTQMCZDVRFLHU-LJQANCHMSA-N 363.417 2.305 0 40 FEAB COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)n[nH]c1C 79481382 WUQASTJBDORLQV-LLVKDONJSA-N 350.371 2.145 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)CCc3cn(C)nc3C)CC2)cc1 72285388 ILLRPHSHGZXTSX-UHFFFAOYSA-N 354.454 2.213 0 40 FEAB NC1(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)Cc2ccccc2C1 97228921 OTQSRWRIADLEQH-UHFFFAOYSA-N 364.445 2.310 0 40 FEAB CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 73665114 GLWQSSXUHNMUAC-KRWDZBQOSA-N 352.500 2.200 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)NCc3ccccc3F)C2)n2ncnc2n1 35311001 DURLQEANSBPZLY-HNNXBMFYSA-N 368.416 2.105 0 40 FEAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccco1)C2=O 36694940 HUXBPKUJBPZKOR-UHFFFAOYSA-N 361.442 2.423 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cn(C(C)C)c(=O)c3ccccc23)CC1 72405266 LOCBZFTZQDHNOF-UHFFFAOYSA-N 371.437 2.497 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2C)s1 223001979 IUPRZLCTSREFET-JTQLQIEISA-N 354.457 2.235 0 40 FEAB CCSc1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 225189450 ZBBNHVQHHRWVFJ-UHFFFAOYSA-N 358.470 2.409 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4ccccn4)C3)C2=O)n1 96048821 QSDZLFCYIQCNIX-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB O=C(Cc1ccncc1)N1CCC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 96222352 YVNNEGDFLCVETR-TZIWHRDSSA-N 367.449 2.386 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cccc(F)c1)C2 96238109 ZNYRKMRPHAWQEK-LJQANCHMSA-N 373.453 2.451 0 40 FEAB O=C(NC1CCCC1)c1ccc2c(c1)CN(C(=O)CCO)[C@H]2c1cnco1 96087090 IMFPKENJSVJMHV-LJQANCHMSA-N 369.421 2.161 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 618254228 SEAPOVOKSWLZPH-INIZCTEOSA-N 354.429 2.387 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2O1)NCc1cccs1 96208645 VKJYYSDOYFPZDG-LZLYRXPVSA-N 357.479 2.439 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cccnc2)C3)cs1 248059675 VGOLOFHKFWFYTJ-INIZCTEOSA-N 359.451 2.437 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1C 244320311 XHZSSFRFFGUESM-UHFFFAOYSA-N 368.499 2.177 0 40 FEAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)C3CC3)C2)nc1C 257221928 DREIMLCEIZBNRT-INIZCTEOSA-N 358.486 2.278 0 40 FEAB Cc1cnc(C(=O)N2CC[C@H](c3cn4cccc4c(N(C)C)n3)C2)cn1 257244110 IJWYFUHLDLKVEX-AWEZNQCLSA-N 350.426 2.128 0 40 FEAB O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829691 FYTCXZOEPWFHFE-LLVKDONJSA-N 356.323 2.401 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 575406193 VXCOMNIGHQUTKS-MRXNPFEDSA-N 350.378 2.260 0 40 FEAB O=C(NC[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCCC1 585112748 UZDRJKIURSJXNT-IBGZPJMESA-N 353.470 2.288 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Cc3cccc(C)c3)[C@H](O)C2)CC1 585280317 FFCDXGGPYLDJLM-WOJBJXKFSA-N 358.482 2.005 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CN(Cc2nccs2)Cc2cccn2C1 585095096 FMIWJCIWKGOUES-OAHLLOKOSA-N 362.499 2.072 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3)C2)ccn1 585272348 NIHRXSVYMHFYNQ-QZTJIDSGSA-N 353.422 2.106 0 40 FEAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@@H](c2nnc(O)o2)C1 670384189 HKMNKUSQBIJBKW-ZBFHGGJFSA-N 373.409 2.353 0 40 FEAB Cc1ncc2c(n1)CC[C@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2 683386478 RBPIVTJXMSZNSZ-ZDUSSCGKSA-N 369.450 2.101 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC(N(c2ccncn2)C2CC2)CC1 1775976229 WKFKYNLWIARCCR-UHFFFAOYSA-N 358.467 2.299 0 40 FEAB Cc1ccc2sc(N3CCN(C(=O)C4=COCCO4)CC3)nc2c1C 5240013 KTVICARYPVUBHZ-UHFFFAOYSA-N 359.451 2.450 0 40 FEAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5681046 PYYSKRXDFYVVRZ-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1 12365057 GFEWUNKPBMNKNP-CQSZACIVSA-N 351.410 2.310 0 40 FEAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 12409532 DGYUATBJKYSJKZ-JTQLQIEISA-N 352.412 2.298 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@@H]1C[C@H]3CC[C@@H]1C3)NC(=O)CO2 12446817 MFCNMKJOPZSIQM-XQQFMLRXSA-N 350.440 2.040 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n[nH]1 19447395 MFBVEVWUCMYVGX-UHFFFAOYSA-N 368.485 2.064 0 40 FEAB C[C@H](Cn1cnc2ccccc21)C(=O)N1CCN(Cc2ccccn2)CC1 19457747 BBPAMTJASSLNFK-QGZVFWFLSA-N 363.465 2.412 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(O)cc2)CC3)C[C@@H](C)O1 19497592 IUHFVSSZAQESPK-OKILXGFUSA-N 370.453 2.060 0 40 FEAB CCOc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)on1 19521575 HWBLUFNKVHKMEZ-HNNXBMFYSA-N 374.441 2.324 0 40 FEAB CCn1c(CNS(=O)(=O)c2ccc3c(c2)OCO3)nc2ccccc21 19524374 LIAUBGPNZLOYCI-UHFFFAOYSA-N 359.407 2.263 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 3634425 UMRYQUBZRNBMRO-BRZPDDQNSA-N 366.461 2.367 0 40 FEAB CCc1cccc(C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1 562545294 RALFZQAOSMEUKP-SFHVURJKSA-N 363.421 2.438 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN([C@H](CC(C)C)C(=O)O)CC2)cc1C 569612399 WHRVXFAFWLUPMG-QGZVFWFLSA-N 368.499 2.109 0 40 FEAB CCOCC(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888855705 AIXGAIWWAOECJA-IAGOWNOFSA-N 352.438 2.075 0 40 FEAB Cc1cc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)ncn1 1889139142 IHAKPSCTPWAFDO-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565546964 CMCGYAWIVYAMHA-RYRKJORJSA-N 359.401 2.319 0 40 FEAB COCc1cn([C@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 1565523763 UZACZCLQGMERTP-QBNKABOXSA-N 359.474 2.350 0 40 FEAB O=C(Cc1ccccc1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565545124 XZVPYLXVKFCYMY-UHFFFAOYSA-N 353.470 2.239 0 40 FEAB COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 5193988 JJIOUIIXBSJSDI-INIZCTEOSA-N 368.433 2.476 0 40 FEAB O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1cccnc1 9001428 WFNJIEZNNDPFLM-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB COCCn1c(SCc2cccnc2)nnc1-c1cn(C)nc1OC 12422668 APNWHHSNZUGRJU-UHFFFAOYSA-N 360.443 2.021 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(F)cc3s2)CC1 13704692 BRXKGPSEVZVVCA-UHFFFAOYSA-N 357.432 2.046 0 40 FEAB CC[C@H]1CCCCN1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O 15962659 CYGNWMPJDONMFY-HNNXBMFYSA-N 372.469 2.093 0 40 FEAB Cc1cccc(C(=O)N[C@@H]2CCc3onc(C(=O)NCC4CC4)c3C2)c1 2055739023 IAECKLDOANMSMI-OAHLLOKOSA-N 353.422 2.410 0 40 FEAB COCCN1CCO[C@H]2CCN(C(=O)c3ccc4c(ccn4C)c3)CC[C@@H]21 2055746206 ZKLUVGDVJVEZJD-PMACEKPBSA-N 371.481 2.130 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](OCCO)c1cccs1 575622183 XHUWITILYUFGMP-MQDFFIGUSA-N 361.419 2.356 0 40 FEAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(-c2nnn[nH]2)cc1 32902837 TZTFUIFXNLWBLR-UHFFFAOYSA-N 359.393 2.042 0 40 FEAB CN(CC(=O)NCc1cccnc1OCC(F)(F)F)C(=O)c1ccco1 40074507 JKGWSQKCFXLQBK-UHFFFAOYSA-N 371.315 2.004 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 40012854 FRZYENBDDMQIJH-MRXNPFEDSA-N 370.453 2.210 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCc2[nH]c3ccccc3c2C1 30586996 ASCYUHHMXXYPEL-UHFFFAOYSA-N 358.405 2.271 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c2ccccc12 20220223 POKYIJDDQRAJFO-UHFFFAOYSA-N 365.389 2.008 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O 59923949 DGWGDKXVXULTHL-WBVHZDCISA-N 354.454 2.251 0 40 FEAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1Cl 32103220 WBYLXDXVOADINF-CYBMUJFWSA-N 371.824 2.448 0 40 FEAB Cc1cc(OCC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl 8276820 MYHOYFKIPIGBQR-STQMWFEESA-N 355.818 2.206 0 40 FEAB COC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCCC2 923998 LHUSMTSEDQVWEE-UHFFFAOYSA-N 371.422 2.494 0 40 FEAB CCOC(=O)c1c(NS(=O)(=O)c2cn(C)nc2C)sc(C)c1C 2804098 OFMWCWTXWHKXIR-UHFFFAOYSA-N 357.457 2.384 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 2655806 DYCKLVWBLRWVCY-UHFFFAOYSA-N 369.421 2.407 0 40 FEAB CCc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1 32928303 ONEJNQKSCYSYSN-ZDUSSCGKSA-N 362.451 2.160 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(Cc3nccn3C)C2)C1 107228876 NJAGUJZWYQEFOL-UYAOXDASSA-N 355.486 2.071 0 40 FEAB Cc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 20042761 JQBJJEKTSUAXBK-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 780376 YTHIERDGJJNFPI-KRWDZBQOSA-N 362.426 2.077 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404412 WMUBYQVCWFAIIY-KBPBESRZSA-N 362.385 2.214 0 40 FEAB Cc1cc(N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c2ccccc2n1 91914910 UPLIVDKNVWNPCG-JKSUJKDBSA-N 366.465 2.059 0 40 FEAB CCN1CCN(Cc2ccc(CNC(=O)c3cccnc3S)cc2)CC1 53238272 ZMSPDHSPRSTGOV-UHFFFAOYSA-N 370.522 2.438 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H]1CN(C)CCO1 105471799 ZMMQZOMRIXNRSD-HNNXBMFYSA-N 352.841 2.393 0 40 FEAB COCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 47631621 AZYFTMMEJJVTOL-GOSISDBHSA-N 362.470 2.017 0 40 FEAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647269 RXEQZNPBDMWDNU-LJQANCHMSA-N 352.434 2.232 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)[C@H]1Cc2ccccc2O1 24660486 ZVYYFKZCDUAFAA-FUHWJXTLSA-N 368.458 2.208 0 40 FEAB O=C(NCc1cccnc1)c1cn(-c2ccc(Br)cc2)nn1 24962646 AVQWMCISQXRQQW-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cncn1-c1ccccc1 12539966 KPQYRHPYXPJWNV-UHFFFAOYSA-N 361.357 2.325 0 40 FEAB O=C(NCc1ccccc1)c1sccc1S(=O)(=O)N1CCCC1 25315546 YVYLUEDFERFXOW-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)C1 25380725 MDVGOOQWYTXASE-MSOLQXFVSA-N 360.454 2.364 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 23074741 YPIDKPFKALCDJZ-ZDUSSCGKSA-N 365.393 2.409 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)NC1CC1 35279106 YHLKTCOUVXRVIH-UHFFFAOYSA-N 363.461 2.390 0 40 FEAB NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCc2sccc2C1 57452432 TXXXELKUHHQJQE-UHFFFAOYSA-N 357.479 2.010 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CC1 22908120 QYRXKHQSXNERMB-QGZVFWFLSA-N 369.490 2.242 0 40 FEAB COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 58216597 CPLPRMXHSGXAQA-GFCCVEGCSA-N 369.259 2.332 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 58341776 FUHKOLUNYKMEPT-KGLIPLIRSA-N 353.260 2.489 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 28439228 RGOSOKPSJXXVEY-AWEZNQCLSA-N 356.378 2.015 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCCC(C)C)N=C2O)cc1 36593729 LCNRVUNHDONJSK-MRXNPFEDSA-N 361.442 2.263 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12788054 VWQPCNFVFHTBFR-UCUJLANTSA-N 351.457 2.363 0 40 FEAB COC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 2439648 PPATVQDTOMFVOG-UHFFFAOYSA-N 374.340 2.499 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cn(Cc3ccccc3)nn2)ccn1 48326445 MQXRWUUZTCVAJB-UHFFFAOYSA-N 373.420 2.146 0 40 FEAB Cn1nnnc1SCc1nnc(-c2ccccc2Br)o1 3513129 ASKXPBCKYIXPAX-UHFFFAOYSA-N 353.205 2.315 0 40 FEAB Cc1cc(NC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)no1 12924774 WJTYSYFNZXQTNQ-NSHDSACASA-N 371.397 2.211 0 40 FEAB O=C(CSc1ccccc1C(=O)O)NC[C@@H]1COc2ccccc2O1 12940531 WHFMEMPZFNDQNC-GFCCVEGCSA-N 359.403 2.433 0 40 FEAB Cc1noc(C)c1C[S@](=O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 69813144 HTAARSOOJKZECV-UOXLDJKESA-N 364.423 2.339 0 40 FEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 13683064 GBGQWWXXTJGABQ-UHFFFAOYSA-N 367.770 2.009 0 40 FEAB Cc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 6127763 IKFIFESVVZJKOG-UHFFFAOYSA-N 374.462 2.457 0 40 FEAB Cc1nnc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)o1 69930471 WZEKLLBPZBTGLF-HNNXBMFYSA-N 367.361 2.282 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2c1C 65109780 PLQYPHIRDSQFOQ-HNNXBMFYSA-N 363.483 2.073 0 40 FEAB COCc1c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)oc2ccccc12 5203280 NDDXCUPKJGGWAR-BETUJISGSA-N 361.394 2.372 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 4472294 VJDAKNRJFSSFSB-OTIXFSKASA-N 367.379 2.007 0 40 FEAB CCc1ccccc1NC(=O)[C@@H](Cc1ccc(O)c(OC)c1)c1nn[nH]n1 5445027 DMADQQRPNFRZQK-AWEZNQCLSA-N 367.409 2.441 0 40 FEAB Cc1ccc(Nc2nc(CSc3nnc(C)c(=O)n3N)cs2)cc1 6787158 UPXVEZBOKJNGFT-UHFFFAOYSA-N 360.468 2.461 0 40 FEAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1cccs1 7063798 TZVMWVHXURRPPL-LLVKDONJSA-N 356.403 2.451 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C1)OCC[C@H]2CCOCC1CCOCC1 306144263 ZAPXCTMXDMMYAI-MRXNPFEDSA-N 373.440 2.483 0 40 FEAB CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 15858559 QZOZLCGGSIWGJH-UHFFFAOYSA-N 372.402 2.208 0 40 FEAB Cc1cc([C@](C)(O)CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)o1 81081755 HKUZPQYOJDEVLG-MAUKXSAKSA-N 362.430 2.301 0 40 FEAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 7987091 HKLODFUHTHTSBX-GOSISDBHSA-N 374.462 2.478 0 40 FEAB O=C(c1cccnc1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 71811002 XMFYADVPKTYLGQ-UHFFFAOYSA-N 355.423 2.151 0 40 FEAB CNC[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541405 NPAXEXWTHYWKJI-SECBINFHSA-N 353.307 2.049 0 40 FEAB COC(=O)CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CCOCC1 72314223 UGYBWJSTAVFDJM-UONOGXRCSA-N 353.365 2.297 0 40 FEAB O=C(Nc1ccc(F)cc1F)C(=O)N[C@H]1CCN(CC2CCCC2)C1 76639481 KYDQFCXIOAKMNJ-AWEZNQCLSA-N 351.397 2.284 0 40 FEAB Cn1nc2c(c1NC(=O)CNC(=O)C13CC4CC(CC(C4)C1)C3)CCC2 84303475 NRNUKJVKVHKBEH-UHFFFAOYSA-N 356.470 2.180 0 40 FEAB CCNC(=O)COc1ccc(CNc2ncn(C(C)(C)C)n2)cc1OC 95943665 LAENSTHOHVTIHL-UHFFFAOYSA-N 361.446 2.169 0 40 FEAB Cc1cnccc1NC(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 95981968 YGTWOGTUMIDNLH-LLVKDONJSA-N 356.390 2.467 0 40 FEAB CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@](C)(C(F)(F)F)O1 505782716 OEXJOKSMCJIFHI-OAHLLOKOSA-N 369.347 2.234 0 40 FEAB Cc1nc(NC2CCN(Cc3cccs3)CC2)c(C(N)=O)cc1C(=O)O 1506419098 XHWMZXAMFNFLNK-UHFFFAOYSA-N 374.466 2.325 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 30752478 CYEZLKFKHWGVMN-QGZVFWFLSA-N 366.483 2.443 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCCC[C@@H]4C)nc3c2c1C 72335222 UMUUDJCSMCSODO-JTQLQIEISA-N 359.455 2.124 0 40 FEAB CN(Cc1cnc(C(=O)O)cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O 530162992 UAQNORRZDOCCPD-OAHLLOKOSA-N 360.801 2.066 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72360399 BCXZKHPHVLMUMX-INIZCTEOSA-N 368.441 2.409 0 40 FEAB CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C(C)(C)C1=O 186440452 RSUYNLRINGWBTI-UHFFFAOYSA-N 356.426 2.168 0 40 FEAB CC(=O)NC1CCC(NC(=O)Cc2cncn2Cc2ccccc2)CC1 566885322 MFBYEKAPZYTMKI-UHFFFAOYSA-N 354.454 2.037 0 40 FEAB CC(C)CNC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 72403787 COZVQMQHXMJGOS-AWEZNQCLSA-N 366.893 2.332 0 40 FEAB O=c1c2ccccc2c(O)nn1CN1CCN(c2ccc(F)cc2)CC1 226757017 FDQSSQUUESTTAS-UHFFFAOYSA-N 354.385 2.021 0 40 FEAB COC[C@H]1COCCC12CCN(S(=O)(=O)c1ccccc1C)CC2 96106312 HXIJISRMOCTMEW-INIZCTEOSA-N 353.484 2.449 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 96249423 QLVPUBIMIANPIZ-HZPDHXFCSA-N 358.467 2.357 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)c3ccccn3)C[C@H]1CN(C(C)C)C2 96055917 SHNDKQNMGCGINN-JXFKEZNVSA-N 359.470 2.207 0 40 FEAB O=C(c1cnccn1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96071757 CLWCDUWOEYPVPK-UHFFFAOYSA-N 351.454 2.390 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@@H](CC(=O)NCC3CCOCC3)C2)o1 248069109 FTRLBYAWHAJBPQ-SFHVURJKSA-N 372.469 2.274 0 40 FEAB COc1cc(N2CC3(C[C@H](CCOc4ccccn4)CCO3)C2)ncn1 247878442 HZRKOXKQGXLRKZ-OAHLLOKOSA-N 356.426 2.335 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 248034391 RRBYVGBSFMHXQW-INIZCTEOSA-N 369.421 2.003 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247944209 QKWVRYPCZBPGMI-OAHLLOKOSA-N 368.389 2.120 0 40 FEAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1 257303834 SIXLPZBWVIVMRI-CQSZACIVSA-N 370.428 2.129 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1cc(-c2cncc(C(=O)O)c2)nc(C)n1 257261144 LFXPJMKQPBZELT-QGZVFWFLSA-N 370.409 2.245 0 40 FEAB COc1cccc(OCC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c1 252523117 BXFNAOSOPSBMPL-SHTZXODSSA-N 357.410 2.370 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@H]3C4)ccc21 260841198 KLBWIRATVLPPGA-JDFRZJQESA-N 360.479 2.453 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)n(-c2ccccn2)n1 600827979 USKVKPVGIMKQKZ-OAHLLOKOSA-N 368.441 2.194 0 40 FEAB CCC(=O)N1CC[C@H](NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)C1 660909583 WUCUTOWNDIFWDW-GWCFXTLKSA-N 374.268 2.337 0 40 FEAB C[C@H](O)C1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 1263883340 IRSCYVYSZRWOMU-VIFPVBQESA-N 350.216 2.292 0 40 FEAB Cc1nc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)no1 1775995891 MGUNZUMDDWVUCN-NSHDSACASA-N 368.235 2.222 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CCCC1)C2 585104927 XHDIFZQJLGJDPB-KRWDZBQOSA-N 364.511 2.342 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccco1 58200886 OZVUPSPVWCIFRE-INIZCTEOSA-N 364.467 2.496 0 40 FEAB COc1ccc([C@H](NC(=O)c2ccccn2)c2nccn2C)cc1OC 12114944 VBCOARAGIGPNRJ-KRWDZBQOSA-N 352.394 2.352 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116085 YPXSXNYAIJNOAU-GOSISDBHSA-N 373.420 2.445 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nn2c1O 12134703 MYFXTQVIPPYYGC-CYBMUJFWSA-N 366.425 2.116 0 40 FEAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 13999558 DJHLMRNGRNJIQN-UHFFFAOYSA-N 366.421 2.009 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19590556 ZTAGDIRHLILUKY-GOSISDBHSA-N 352.438 2.450 0 40 FEAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 4344172 YCYXUKRYYSXSLJ-HOTGVXAUSA-N 362.426 2.403 0 40 FEAB in-vitro Cn1cc(C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)C2)cn1 532284003 WMMJYKQDBJBPTM-ZDUSSCGKSA-N 352.438 2.355 0 40 FEAB FC(F)(F)[C@@H]1CCc2nnc(CNc3ncnc4c3CCCC4)n2C1 585149390 NCLSHOVDISLITJ-SNVBAGLBSA-N 352.364 2.684 0 40 FEAB COc1cccc(-c2cc3c(=O)n(CC(=O)NC(C)(C)C)ccn3n2)c1 1888964000 ASIQTQVSPIBEMR-UHFFFAOYSA-N 354.410 2.086 0 40 FEAB O=C(CCc1ncc(-c2ccccc2F)o1)NCCCN1CCOCC1 36686174 LOJBLIWNRYKREB-UHFFFAOYSA-N 361.417 2.252 0 40 FEAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(C(=O)C(C)(C)N)C2)n1 2037835112 ZRFMSKJIZPIAFN-GFCCVEGCSA-N 360.487 2.347 0 40 FEAB O=C(c1ccno1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984312 XIACVHVCEVFWLO-IBGZPJMESA-N 355.394 2.103 0 40 FEAB O=C(c1ccc2n1CCN(C(=O)C1CC(F)(F)C1)CC2)N1CCCC1 1565554179 LNKXELFEFCZJBO-UHFFFAOYSA-N 351.397 2.154 0 40 FEAB CCCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n(C)n1 4745488 DIYIARRRCYOSJT-UHFFFAOYSA-N 359.382 2.198 0 40 FEAB O=C(NCc1ccco1)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714527 FRDKJUOVDRJRKH-ZDUSSCGKSA-N 356.426 2.027 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)nn2C)c(C)c1 1775966640 QZZKKHJKUAKAIF-UHFFFAOYSA-N 372.450 2.278 0 40 FEAB Cc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127462 TYSOQJCWOYCMTC-UHFFFAOYSA-N 369.465 2.233 0 40 FEAB Cc1cc(C(=O)NCCN2CCN(C(=O)c3cccs3)CC2)c(C)o1 38680390 TWCQWCVBYOQLSO-UHFFFAOYSA-N 361.467 2.146 0 40 FEAB CSc1nccc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298055238 HGFAZTCJGCHFJW-UHFFFAOYSA-N 353.455 2.106 0 40 FEAB Cc1cccc(OCCNC(=O)Cn2cnc3ccc(C)cc3c2=O)c1 40117006 MFMRVLQLRWLNFQ-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@@H]1CS[C@@]2(C)CSCC(=O)N12 40146497 GWXIDWHMQNNDTB-YOEHRIQHSA-N 350.509 2.442 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 40160410 PGHBBZZPIRTSAH-OAHLLOKOSA-N 362.426 2.489 0 40 FEAB COc1cc(NC(=O)CSc2ncnc3c2cnn3C)cc(OC)c1 11676718 VMTQYFVEQLKESE-UHFFFAOYSA-N 359.411 2.111 0 40 FEAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccco3)cc2c1 1366860 USNTUAUGALBWAY-UHFFFAOYSA-N 356.378 2.155 0 40 FEAB Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1C 1846707 BYONVGPJLUVSJV-UHFFFAOYSA-N 361.419 2.008 0 40 FEAB CC(=O)[C@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4278901 RBFZONRYEOTPMK-OUJBWJOFSA-N 368.258 2.098 0 40 FEAB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)NC1CCCCCCC1 6603130 JFYNPTNARRCAPU-INIZCTEOSA-N 361.442 2.248 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6945377 HMJNOCMHQHYKFX-CQSZACIVSA-N 356.488 2.305 0 40 FEAB C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 2633042 RVVFEISEXJUCPQ-KSSFIOAISA-N 365.433 2.090 0 40 FEAB NS(=O)(=O)c1ccc(CCNc2ncnc3sc4c(c23)CCC4)cc1 8148526 CRIBIHPPHWFWOR-UHFFFAOYSA-N 374.491 2.482 0 40 FEAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2nc3ccccc3o2)c1 32853925 OTOVQXUAVHKSMR-UHFFFAOYSA-N 364.354 2.232 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 32967029 BZNUPIUCLPLCIE-AWEZNQCLSA-N 372.343 2.049 0 40 FEAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cn3cc(Cl)cn3)c1)[C@H]1CC[C@H]2O1 102609928 PZQQGEXEPDEQHJ-KLHDSHLOSA-N 357.797 2.252 0 40 FEAB Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102075900 AVCUPLNPQLZSGA-UEFGCPDKSA-N 351.402 2.262 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 53776486 CAGSYIRKMXTYPR-GOSISDBHSA-N 353.466 2.076 0 40 FEAB CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc1OC 42256512 ZZMMFSPBDHWKBU-UHFFFAOYSA-N 371.361 2.491 0 40 FEAB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c(C)n1Cc1ccco1 47422030 GSGQCBJFXPOCAN-UHFFFAOYSA-N 361.423 2.171 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc(F)ccc1-n1cnnn1 12407592 KVXRHRHZOUZYSC-UHFFFAOYSA-N 368.347 2.394 0 40 FEAB COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 34087024 CESBUDCKGYCTQM-UGSOOPFHSA-N 373.453 2.208 0 40 FEAB COC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 9113034 DRKKHCWLXUNGPT-UHFFFAOYSA-N 363.373 2.331 0 40 FEAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2nnc3n2CCCCC3)CC1 106523682 OALLRHATCFYYGZ-ULQDDVLXSA-N 357.502 2.085 0 40 FEAB CC(C)[C@H](C(=O)Nc1cccc(Cn2cncn2)c1)N1C[C@@H](C)O[C@H](C)C1 106530358 UUHVFYIWNVANBO-GPMSIDNRSA-N 371.485 2.399 0 40 FEAB O=C1COc2cc(NCc3nnnn3-c3ccccc3)c(Cl)cc2N1 55837158 SSYSGNCZFHQJIY-UHFFFAOYSA-N 356.773 2.259 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)C2 107332155 UGPGDRDWELIICF-MKBNYLNASA-N 356.513 2.357 0 40 FEAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CC1 26971695 HSEHFHKHQNTITC-GFCCVEGCSA-N 374.824 2.374 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(O)cc2)CC1 35361650 ZXBIBQPWAXEVAC-MRXNPFEDSA-N 351.450 2.492 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)c1 57521122 FKRBVIAQHGFAIC-UHFFFAOYSA-N 371.422 2.249 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 58172324 WFMXPEZWGRPBSY-GOSISDBHSA-N 371.481 2.050 0 40 FEAB O=C(NCCc1cccs1)NCc1ccc(C(=O)N2CCOCC2)cc1 36392863 UEKPBKPOTWHGBD-UHFFFAOYSA-N 373.478 2.262 0 40 FEAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)nc1 11114994 XZXLXQBKWKGRGQ-UHFFFAOYSA-N 350.422 2.258 0 40 FEAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(=O)[nH]c1 12860704 GYDONZUBZGJMQY-UHFFFAOYSA-N 371.706 2.020 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 12819014 QYVRNMYTYABNKB-UHFFFAOYSA-N 361.379 2.221 0 40 FEAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NC(=O)NCc1ccccc1 3432859 LVTRCVQEDFYQJG-DHZHZOJOSA-N 356.353 2.408 0 40 FEAB C[C@@H](C(=O)O)n1c(S[C@@H]2CCCCNC2=O)nnc1-c1cccs1 12936217 ZBXLYMHNVBXORS-GXSJLCMTSA-N 366.468 2.413 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)C 63725544 UPEQGHBGJXQPPQ-AEFFLSMTSA-N 374.481 2.469 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(F)F)c(OC)c1 6053340 WDVIOJMXWQHEKD-CYBMUJFWSA-N 356.325 2.488 0 40 FEAB O=C(COC(=O)c1nccc2ccccc12)NCc1ccc2c(c1)OCO2 64875201 KNBNRXJZKKFSEY-UHFFFAOYSA-N 364.357 2.437 0 40 FEAB Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6244626 FNEFCAPRNNNQRD-UHFFFAOYSA-N 365.480 2.491 0 40 FEAB COc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)c(OC)c1OC 14111800 CXEYUZJOVINFFA-UHFFFAOYSA-N 356.378 2.240 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 14139089 NMWKNPBJFDARSE-UHFFFAOYSA-N 357.439 2.315 0 40 FEAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccccc1 20503782 ACAMIWCGVBLJJL-JENIJYKNSA-N 374.554 2.016 0 40 FEAB biogenic,in-vitro CN(C)[C@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 6865308 AVOMLJMSMNSXCT-GOSISDBHSA-N 365.433 2.092 0 40 FEAB COCCCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OC)nc1 67455844 XTQZVTYPJZCRGN-UHFFFAOYSA-N 371.437 2.484 0 40 FEAB Cc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)o1 93393361 KPWCJKLENCPGMX-UHFFFAOYSA-N 354.394 2.376 0 40 FEAB Cn1ccnc1[C@H](NC1=NS(=O)(=O)c2ccccc21)c1cccc(F)c1 9313978 VVMVHCXYRFETFL-MRXNPFEDSA-N 370.409 2.387 0 40 FEAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCNC1=O 9456904 DFELZMZEACMHRB-UHFFFAOYSA-N 353.404 2.065 0 40 FEAB O=S(=O)(Cc1ccccc1C(F)(F)F)N[C@H]1CCCn2ncnc21 97013280 ICLNWAYSXRJGRD-LBPRGKRZSA-N 360.361 2.251 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)CS(=O)(=O)c2cccs2)c1 95398210 PUFJFMIISRQKGU-NSHDSACASA-N 369.464 2.416 0 40 FEAB Cc1oc(CN(C)C(=O)[C@H]2CCCN(C(=O)C(C)C)C2)cc1C(=O)O 95425064 YHRTZHCTFDISEN-ZDUSSCGKSA-N 350.415 2.139 0 40 FEAB Cc1cc(C)c(NC(=O)NCCN2CCN(c3ncccn3)CC2)c(C)c1 95951291 XEPVVXVCNQTBKN-UHFFFAOYSA-N 368.485 2.346 0 40 FEAB O=C(NCCCOCc1ccco1)N1CCN(Cc2ccccn2)CC1 95943869 UOPDMAOWESLKKJ-UHFFFAOYSA-N 358.442 2.109 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](CO)c3ccccc3)CC2=O)cc1 75104854 PMHWRROBQQGFEO-ROUUACIJSA-N 352.434 2.240 0 40 FEAB COc1ccc(F)cc1CN1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC1 188895479 QHFIGABIYNQEJM-UONOGXRCSA-N 353.438 2.085 0 40 FEAB CS(=O)(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 77101073 RBZXKSSSBSBJIX-UHFFFAOYSA-N 365.402 2.397 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 72390979 UKHDHWZZIFNPTR-KGLIPLIRSA-N 370.428 2.045 0 40 FEAB Cc1cccc(Nc2nccnc2C2CCN(CC(=O)N(C)C)CC2)n1 72362459 WDLBCCUZAPVKGH-UHFFFAOYSA-N 354.458 2.191 0 40 FEAB CC(=O)c1cccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)c1 70816157 VEZYTRBOFDNRBE-UHFFFAOYSA-N 366.373 2.329 0 40 FEAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 223704216 XHMPKGUWRDCQDT-CQSZACIVSA-N 364.442 2.339 0 40 FEAB CCN(CC)Cc1nc(C2(O)CCN(C3CCOCC3)CC2)cs1 225463216 PLHSUQSWHRWRKD-UHFFFAOYSA-N 353.532 2.447 0 40 FEAB biogenic,in-vitro COc1ccccc1N1CC[C@H](N2CCN(c3cncc(F)c3)CC2)C1=O 568304453 PPNGNXPSCQHQTP-SFHVURJKSA-N 370.428 2.157 0 40 FEAB COC(=O)[C@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1 45889696 HGLUKKSRRYSUHC-JTQLQIEISA-N 373.190 2.434 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)c1 225180021 OJNVTFOEPZTUDB-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB C[C@@](O)(CNC(=O)c1ccc(Br)o1)c1ccc2c(c1)OCO2 77184449 QXEDDCBJNHLDBM-OAHLLOKOSA-N 368.183 2.408 0 40 FEAB COc1ccc(N2CCC[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)nn1 96118413 XXZGYRURKCQWSO-CQSZACIVSA-N 369.425 2.299 0 40 FEAB CC(C)(C)c1cccc(OCCCN2C(=O)N[C@]3(CCCNC3)C2=O)c1 576751882 QUTPAMYAXYOWOJ-FQEVSTJZSA-N 359.470 2.427 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccncc4)C3)C2=O)c1 96050678 FCPHIEOWBCMNMC-NRFANRHFSA-N 365.433 2.355 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(n2ccnn2)CC1 95455700 GQIZMJRQXVVDTI-UHFFFAOYSA-N 360.361 2.323 0 40 FEAB Cc1ccoc1C(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044414 UJXZXVVYMLDQSC-MRXNPFEDSA-N 359.426 2.255 0 40 FEAB CC1(C)C(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(Cl)cc21 96181615 DZRUBGVTCBDEKM-UHFFFAOYSA-N 360.845 2.367 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)C1CC1 247476948 HLMWEUAVUGJXRO-MRXNPFEDSA-N 368.437 2.085 0 40 FEAB CCc1nc(-c2cncnc2[C@H]2CN(C(=O)C3CCCC3)CCO2)no1 257287760 PRJVSEZREMWLQF-CQSZACIVSA-N 357.414 2.179 0 40 FEAB CNc1nccnc1[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 257274101 NJOLMPJFYNJAGD-MRXNPFEDSA-N 350.426 2.482 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N(C)CCN(C)C)c1 257283002 OWHPWIJGOHXSED-UHFFFAOYSA-N 354.454 2.018 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cn1 257267297 MGQYSQJPVYXLNH-OAHLLOKOSA-N 356.474 2.272 0 40 FEAB Cc1cc([C@H]2CCCCN2C(=O)CCc2ccnn2C)nc2nccn12 257225103 FEVCWUYVFWAWEW-QGZVFWFLSA-N 352.442 2.458 0 40 FEAB O=C(N[C@@H]1CCCc2ccccc21)C1CN(c2cc(-n3cccn3)ncn2)C1 253472717 OPMOMNMSRALBCS-GOSISDBHSA-N 374.448 2.292 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)ncn1 257218957 DEZXAEKEKWOWHI-SFHVURJKSA-N 359.401 2.163 0 40 FEAB C[C@@]1(CNC(=O)c2ccc(OCC(=O)O)cc2)OCCc2sccc21 621539498 PLSKXHIEOHVJTQ-SFHVURJKSA-N 361.419 2.429 0 40 FEAB CCCO[C@H]1CCCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CC1 654636790 AOIOLCFSDFYSNT-KBPBESRZSA-N 351.451 2.147 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](c1ccccc1)c1nc[nH]n1 658273088 SWUXZGSAEFOGGQ-RYQLBKOJSA-N 352.442 2.385 0 40 FEAB O=C(c1cnc[nH]1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575606656 KWZHJYCGIYGXAH-AWEZNQCLSA-N 353.831 2.065 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 585104648 KDDAOCCWXFNHAA-QGZVFWFLSA-N 368.499 2.209 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 585095709 DZQHKCXWIHABCD-YUELXQCFSA-N 366.412 2.070 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)CCn2c(=O)oc3ccccc32)o1 58246458 RUYPPZVBPGGMMJ-UHFFFAOYSA-N 371.437 2.476 0 40 FEAB NC(=O)C1(c2ccccc2)CCN([C@H]2CCc3ccccc3NC2=O)CC1 683009646 QLAVEBXTAKXXNS-IBGZPJMESA-N 363.461 2.459 0 40 FEAB O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CC[C@](CO)(c2ccccc2)C1 1641488159 UWWOMUXUTNHAHQ-UWJYYQICSA-N 368.408 2.099 0 40 FEAB COCCn1c2ccccc2n2c(=O)n(Cc3ccc(OC)cc3)nc12 12117684 XCGLQRJZUORWGY-UHFFFAOYSA-N 352.394 2.154 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3cnc(C)cn3)cc2n1 12161299 UOCKSIHGGJRJJM-MRXNPFEDSA-N 366.425 2.463 0 40 FEAB Cc1cc2c(cc1NC(=O)c1cccc(Cl)c1)n(C)c(=O)c(=O)n2C 13364627 UXIXATBNRMSGJH-UHFFFAOYSA-N 357.797 2.451 0 40 FEAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 14795377 VOVYTEGEHGYUSE-HNNXBMFYSA-N 368.474 2.485 0 40 FEAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15198243 LQRGVYSAJIEZSK-LBPRGKRZSA-N 351.399 2.485 0 40 FEAB Cc1nc(=O)c2nnn(C[C@@H]3CCCN(C(=O)CC4CCCCC4)C3)c2[nH]1 19286458 QWGCHLUIRAHYSB-OAHLLOKOSA-N 372.473 2.032 0 40 FEAB Cc1c([C@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n2c(nc1=O)CCC2 19554887 ZJNCIDGVWHVBLV-HNNXBMFYSA-N 369.469 2.295 0 40 FEAB Cc1cc(C)n(CCC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)n1 19573828 IRMDNCCJJQTWOA-UHFFFAOYSA-N 367.453 2.064 0 40 FEAB COCC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 19755308 CLKPYVCGNHEGQU-INIZCTEOSA-N 354.410 2.347 0 40 FEAB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)ccc1OC 6355017 ZZANWZQYJJLTJD-JAIQZWGSSA-N 372.377 2.321 0 40 FEAB Cc1ccc2c(c1)NC(SCC(=O)N1CCC[C@@H](C)C1)=NS2(=O)=O 9530187 AXNWZOINUFTNOB-GFCCVEGCSA-N 367.496 2.457 0 40 FEAB COCCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 28202606 WSCVCCAAZCBCPR-UHFFFAOYSA-N 351.406 2.460 0 40 FEAB Cn1cncc1C(=O)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776000649 CPXPYFDCPWGQHY-UHFFFAOYSA-N 355.442 2.409 0 40 FEAB O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1Cl 3896557 QHFRDNIKVISUPZ-UHFFFAOYSA-N 363.826 2.111 0 40 FEAB CCN(CC)C(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479131 BEUBDYCPYJOCLB-UHFFFAOYSA-N 359.817 2.104 0 40 FEAB O=C1C[C@@H](NS(=O)(=O)c2ccc(F)cc2)CN1c1cccc(F)c1 5222152 ABDIMLZNBDUXCJ-CYBMUJFWSA-N 352.362 2.049 0 40 FEAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1 13700336 MPGZEPWVQWKASZ-UHFFFAOYSA-N 357.805 2.132 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921116 RQNSFHUQXDMZJF-UHFFFAOYSA-N 374.528 2.282 0 40 FEAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccco3)n2)cc1 20738934 NZBVHHFFWMEMCI-UHFFFAOYSA-N 356.338 2.130 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1 2631792 BGWCZWHUOWWBPS-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)cc1OC 101868880 JSWWQQKNSHJRFE-HZPDHXFCSA-N 360.454 2.296 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc3c(c2)OCO3)cc1 2651871 FSZQIGYGIKAKAU-UHFFFAOYSA-N 363.391 2.023 0 40 FEAB CCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2c1=O 6356517 DZHYTWQXMMYUFR-UHFFFAOYSA-N 351.362 2.075 0 40 FEAB COc1ccc(CNC(=O)Cc2nnc(S)n2Cc2ccccc2)cc1 32836054 LVEKUJQRBMDPDR-UHFFFAOYSA-N 368.462 2.483 0 40 FEAB COC(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 7780162 YVZLBFBBEGRHHT-HNNXBMFYSA-N 357.362 2.158 0 40 FEAB O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]12)C1CCCC1 8296774 SDYOCRZBDJZBQR-ZFWWWQNUSA-N 361.829 2.182 0 40 FEAB biogenic,in-vitro O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC1CCCCC1 8434680 DGDNQPADYVOTAJ-UHFFFAOYSA-N 365.227 2.494 0 40 FEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2N1 8559302 QXXNOTCTTDUEAQ-MRVPVSSYSA-N 359.695 2.472 0 40 FEAB Cc1cc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)n(C)n1 9122559 HJKLILIAGBDJED-UHFFFAOYSA-N 359.430 2.440 0 40 FEAB C[C@]1(c2cccs2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 24528489 LJYSJADBSHZOTN-LJQANCHMSA-N 370.478 2.295 0 40 FEAB C[C@H](O)CN1CCN(C(=O)CSCc2cccc(Cl)c2)C[C@@H]1C 107502280 VOCPAAVZWGJQGI-KBPBESRZSA-N 356.919 2.487 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc2c1OCCO2 57115810 QXTOAJHJHVXFTB-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB COc1ccc(CCC(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)cc1 58202050 QWAVXLOCOOHDNH-UHFFFAOYSA-N 371.437 2.345 0 40 FEAB COCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2248719 HWIPLDJDWAKQMD-UHFFFAOYSA-N 365.393 2.184 0 40 FEAB Cc1ccccc1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 36394255 DUXRIJZWASEVFT-UHFFFAOYSA-N 365.477 2.242 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)cc2)n1 11170576 XNMWYBMYQAHPSW-UHFFFAOYSA-N 357.395 2.082 0 40 FEAB Cc1cc(=O)nc2sc(N3CCN([C@H](C)c4ccc(F)cc4)CC3)nn12 12764472 JSQPBFJPJHVCCY-CYBMUJFWSA-N 373.457 2.482 0 40 FEAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCn1ccnc1 48363986 SUNJDIKEHUOECT-CYBMUJFWSA-N 350.831 2.156 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12870994 YSGVJOWMSHAYKT-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB COCCNC(=O)NC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 12855688 FBJQYELKMINTBA-UHFFFAOYSA-N 365.449 2.433 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCCC2)c1C 3590640 NWTMRXPDSYNRNB-UHFFFAOYSA-N 350.415 2.368 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 12942171 KJOVMWXEVBNXQJ-LLVKDONJSA-N 360.863 2.267 0 40 FEAB COCC(=O)Nc1nc(N)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 13682261 VVZZINCICYJVGK-UHFFFAOYSA-N 364.818 2.211 0 40 FEAB CCc1nc(N)c2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 408712798 RZQHPSMZAYRGHC-SNVBAGLBSA-N 357.410 2.560 0 40 FEAB Cc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)c1 5280173 VMCAWGFZYVFMLN-UHFFFAOYSA-N 368.433 2.235 0 40 FEAB Cc1ccc(C)c(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 13997674 UJQRCGNCEDHLLG-MRXNPFEDSA-N 368.499 2.145 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)COc2c(Cl)cccc2Cl)C1=O 14135415 TUTCULKQSZNITG-AWEZNQCLSA-N 360.197 2.124 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 8856514 QEUWANMPSQBRPY-UHFFFAOYSA-N 352.394 2.356 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 14830896 JHQWMHPLXHINQH-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)CCC2 5870838 CMXVACPLAHOXBU-UHFFFAOYSA-N 362.385 2.349 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 6911509 WWQJNAUSGYAHPP-QMMMGPOBSA-N 367.456 2.227 0 40 FEAB COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)c(C)c2)c2ccccc2O1 7306339 HTSVIUWVLLUPLT-QGZVFWFLSA-N 361.419 2.433 0 40 FEAB COc1ccc(NC(=O)CN2CCC(Cn3cccn3)CC2)cc1OC 90473280 LDFUFRKUUGLQTR-UHFFFAOYSA-N 358.442 2.251 0 40 FEAB O=C(c1cc[nH]c(=O)c1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 93243557 FNTPSTKDJDOTMC-ZIAGYGMSSA-N 352.312 2.342 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)s1 16146088 GRZKQIWXUXTDRK-UHFFFAOYSA-N 368.455 2.342 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 8010914 BYPRCQZIIVEMDD-CYBMUJFWSA-N 350.440 2.281 0 40 FEAB Cc1cc(NNS(=O)(=O)c2cccc(Cl)c2Cl)n2ncnc2n1 9497862 SBNDYCVVRHHTCB-UHFFFAOYSA-N 373.225 2.045 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 9548660 UTLHQNQQVGNBHL-CYBMUJFWSA-N 359.426 2.127 0 40 FEAB Cc1cccn2c(=O)cc(CSc3nnnn3Cc3cccs3)nc12 9608416 SDRNYVMVGARTHN-UHFFFAOYSA-N 370.463 2.392 0 40 FEAB CO[C@@H]1CCCOC12CCN(C(=O)c1c(C)[nH]c(C(=O)O)c1C)CC2 97568854 AIEHQGZOCHOPDX-CYBMUJFWSA-N 350.415 2.130 0 40 FEAB CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC[S@]1=O 88207077 GXFCHJQVOMUWOY-QHCPKHFHSA-N 357.859 2.484 0 40 FEAB O=C(c1ccoc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999175 AJWAARXCUAXWKW-INIZCTEOSA-N 360.435 2.277 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1OC 20492553 DIFUJXFULMOJOB-UHFFFAOYSA-N 373.434 2.368 0 40 FEAB Cc1nc(CN2CC[C@]3(CNC[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306130340 JCYGYNZPJMYYDP-CRAIPNDOSA-N 359.499 2.335 0 40 FEAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 306133742 MTZXWGSEDIMXGZ-BMGDILEWSA-N 364.873 2.288 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 32998028 MBCNILKFJNYBKB-ZNMIVQPWSA-N 358.438 2.315 0 40 FEAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)c(OC)c1 36359193 DFJYNUDQAPEBCB-UHFFFAOYSA-N 371.422 2.482 0 40 FEAB Cc1nnc(NC(=O)c2cnc3sc4c(n3c2=O)CCCCC4)s1 72400884 XMJIGLKEZUPEGK-UHFFFAOYSA-N 361.452 2.437 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N1C[C@H](N)CC[C@@H]1C(F)(F)F 583619841 OTZDNXFZHIYOGS-BXUZGUMPSA-N 354.376 2.479 0 40 FEAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2coc3ccc(F)cc23)C1 579358444 NZOOJYAZIQYXLV-BBRMVZONSA-N 360.385 2.424 0 40 FEAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3cccc(F)c3)C2)C1 96228993 DPANWIUUHQVVTP-QGZVFWFLSA-N 356.463 2.094 0 40 FEAB COC[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cncn2C1 96215191 SZSLOQUGURDAHD-LBPRGKRZSA-N 359.817 2.103 0 40 FEAB Cc1ccc(N2CCC[C@]3(C(=O)O)CN(Cc4ccco4)C[C@@H]3C2)nn1 96064260 UPDQCUSOECEXKF-BEFAXECRSA-N 356.426 2.181 0 40 FEAB CC(=O)Nc1cc(CCC2CCN(C(=O)c3cnn(C)c3)CC2)ccn1 257232348 GKMYEXSGUWULFG-UHFFFAOYSA-N 355.442 2.259 0 40 FEAB Cc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)c(S(C)(=O)=O)c1 263208675 YQTLFLFAGSTNDA-UHFFFAOYSA-N 354.428 2.163 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@@H](C(F)(F)F)[C@H]3C)cc2=O)cc1 619258736 MWELKIYJZACGRR-IAQYHMDHSA-N 369.343 2.266 0 40 FEAB CO[C@@H]1CN(C(=O)c2oc(-c3ccccc3)nc2C)C[C@H]1c1cnn[nH]1 622167986 NRSZOKAAHHCLNV-DZGCQCFKSA-N 353.382 2.023 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 623609351 ZRDNLSOBFVMECX-KRWDZBQOSA-N 365.433 2.489 0 40 FEAB Cc1cccc2c(CCNC(=O)[C@H]3CC[C@@H](C(=O)O)N3C3CC3)c[nH]c12 630656909 JXTCFEXISCYPNR-SJORKVTESA-N 355.438 2.215 0 40 FEAB COc1ccccc1-c1noc([C@@H](C)NC(=O)C2(C(=O)O)CC=CC2)n1 663117533 ONLHVNNTNMRWFH-LLVKDONJSA-N 357.366 2.343 0 40 FEAB O=C(N[C@@H]1CCCC(F)(F)C1)C1CCN(c2ccc3nncn3n2)CC1 676071521 AMKDPGQFVANAAQ-CYBMUJFWSA-N 364.400 2.035 0 40 FEAB CO[C@H](C)CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2cnc[nH]2)cc1 1775986896 PFLBQPJBCLCFAZ-CQSZACIVSA-N 358.442 2.032 0 40 FEAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)nc1 607799955 RWFIAKQUQWNGPG-UHFFFAOYSA-N 367.453 2.492 0 40 FEAB CN(Cc1ccc(Br)cc1)C(=O)NCCCN1CCOCC1 58173782 YODZCNUZFQIERR-UHFFFAOYSA-N 370.291 2.313 0 40 FEAB Cc1ccccc1C1(C(=O)N2CCC(N3CCNC3=O)CC2)CCOCC1 57396742 OFBQYNIKSHFEJR-UHFFFAOYSA-N 371.481 2.059 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158524 NJMBOAGSJHRDJG-HXUWFJFHSA-N 369.396 2.259 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1 5616642 ROKQLGRHLLOQDM-UHFFFAOYSA-N 358.778 2.144 0 40 FEAB Cc1nonc1CC(=O)N1CCCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12161530 OWZPRSJWCINOFH-HNNXBMFYSA-N 370.413 2.039 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1 19710186 PPGUWQRVADRNIS-UHFFFAOYSA-N 362.499 2.016 0 40 FEAB COC1(CNS(=O)(=O)Cc2noc3ccccc23)CCSCC1 252548749 QJVSZMSSNFMCRP-UHFFFAOYSA-N 356.469 2.159 0 40 FEAB O=C(CN1CCN(C(=O)c2ccncc2)CC1)Nc1ccccc1Cl 36391763 PXMIREDYKXVXDB-UHFFFAOYSA-N 358.829 2.132 0 40 FEAB CCc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 1776007948 OGGJNHRTMFHLRE-UHFFFAOYSA-N 353.430 2.072 0 40 FEAB O=C(c1cncnc1)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223544 RADXSNXMWXMXRB-FQEVSTJZSA-N 351.454 2.390 0 40 FEAB O=C(CCCc1ccccc1)NCCn1nc(-c2ccncc2)ccc1=O 11744574 LZKLYQNLECRSQL-UHFFFAOYSA-N 362.433 2.444 0 40 FEAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)cc1 17042342 FNKHAABAOCFADQ-UHFFFAOYSA-N 368.437 2.253 0 40 FEAB O=C(NCc1cccs1)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127433 JPWLQTYGUFRGFF-UHFFFAOYSA-N 371.506 2.393 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)COc4ccccc4C)C[C@@H]3C2)ncn1 1889341331 AMDLGYWLWMACJG-IRXDYDNUSA-N 352.438 2.067 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)C1CC1 2086864695 BJPVIIKEOPZYLX-SNVBAGLBSA-N 367.368 2.290 0 40 FEAB CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccon3)n2)cc1 49059232 PXDGWERBGDOMHD-GFCCVEGCSA-N 354.366 2.497 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 189277967 RAGUWYVIUHSGLQ-UHFFFAOYSA-N 358.360 2.477 0 40 FEAB COC(=O)c1ccc(C(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 244969110 GYTHXZVJMOOQAR-QGZVFWFLSA-N 350.378 2.236 0 40 FEAB Cc1cc(C)n2nc(CC(=O)NCc3ccsc3-n3cccc3)nc2n1 40155028 GEYRIPAYWNPHPZ-UHFFFAOYSA-N 366.450 2.452 0 40 FEAB CCSc1ncc2c(=O)n(CC(=O)Nc3ccccc3C)cnc2n1 20191010 OLMILUXSNVNXEQ-UHFFFAOYSA-N 355.423 2.246 0 40 FEAB C[C@@H](Sc1nnnn1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 11679005 XODSOJLEFBNNIU-SNVBAGLBSA-N 354.395 2.404 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)COc1ccc(Cl)cc1C 20791963 DRBOXXPHALWPLW-UHFFFAOYSA-N 371.817 2.030 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3296796 DNCRPYPZNBEDAB-UHFFFAOYSA-N 374.447 2.008 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(F)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487855 RNIOLUYSZZRASJ-PAURTPPISA-N 367.373 2.161 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(N)nc(N(C)C)n2)c1 32854136 WYJOPBLBHSBYMI-LBPRGKRZSA-N 360.487 2.397 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@H](C)O[C@@H](C)C3)nc(N)c2c1C 32850899 COILRALCAYJTDF-UWVGGRQHSA-N 364.471 2.368 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cccs3)C2=O)cc1 8643852 SEIXSLMTDBXBKN-IBGZPJMESA-N 371.462 2.482 0 40 FEAB COCCNC(=O)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 8707402 XKXPMPLCOMNZCG-UHFFFAOYSA-N 368.484 2.181 0 40 FEAB Cc1ccccc1CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 8274154 QCIRCEDHFMDMMJ-UHFFFAOYSA-N 357.454 2.299 0 40 FEAB COC(=O)c1cccc(COC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102771779 ONCVVKFNOYYXMR-WQVCFCJDSA-N 373.405 2.080 0 40 FEAB Cc1nn(C)cc1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2778312 OCIRJLZOLZUSMO-SECBINFHSA-N 371.466 2.317 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3nccs3)c2C)c1 22191031 MSKLTYVQTWEBJL-UHFFFAOYSA-N 371.418 2.382 0 40 FEAB Cc1cc(C(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)n(C)n1 9122567 JXOLCARSBPWFQO-UHFFFAOYSA-N 359.430 2.440 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)C(C)(C)Oc1ccc2c(c1)CCCC2=O 70005954 FFCWKLFZGWRWTA-UHFFFAOYSA-N 372.465 2.444 0 40 FEAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)C[C@H](C)O1 22301126 ATPMZKMEISONEJ-QWRGUYRKSA-N 372.454 2.276 0 40 FEAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cccc(Cl)c2Cl)CC1 22671004 CZQRYXZQEKZEKU-JTQLQIEISA-N 373.236 2.229 0 40 FEAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 22835849 KOVXRLUUUZXTMG-MRXNPFEDSA-N 368.499 2.406 0 40 FEAB Cc1nc(COc2ccc(C(=O)NCc3nnc4n3CCC4)cc2)cs1 23307862 OCTSTIBRAFFITP-UHFFFAOYSA-N 369.450 2.498 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3N=NN(c4cccc(OC)c4)[C@H]3C2=O)cc1 101277712 BALCFQTUNZJSSZ-HZPDHXFCSA-N 352.350 2.202 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1O)N[C@H]1CCCC[C@H]1C(F)(F)F 23966871 NYHSPEWFPSNPGS-NEPJUHHUSA-N 361.316 2.492 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCc2cnn(-c3ccccc3)c2)c1 24976760 IVGAPYHPRGZUCZ-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB COc1cccc(C(=O)NCCCNC(=O)c2cccc(F)c2)c1OC 78613454 QCPLBEGPORPXQT-UHFFFAOYSA-N 360.385 2.393 0 40 FEAB CC(C)(CNC(=O)CNC(=O)C1CCCC1)c1ccc2c(c1)OCCO2 57558652 BBTXOBRKLPOJBE-UHFFFAOYSA-N 360.454 2.158 0 40 FEAB COCCOc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cn1 44644934 JVIGDWYFSCTEIK-UHFFFAOYSA-N 354.366 2.087 0 40 FEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC1CCCC1 22252499 ICWPRUXTZZBZGX-UHFFFAOYSA-N 370.471 2.162 0 40 FEAB COc1cccnc1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C 58175779 VHLXHDUDLXWWNV-UHFFFAOYSA-N 358.427 2.048 0 40 FEAB C[C@@H](C(=O)Nc1cccc(NC(=O)CCCn2cncn2)c1)n1cccn1 47831178 IVUZCKVMTUSQQW-AWEZNQCLSA-N 367.413 2.093 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 10287098 ORQIQIMCAAOZFO-LBPRGKRZSA-N 364.389 2.351 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1 58268427 CUTWWOHBBSLTAM-CQSZACIVSA-N 353.488 2.045 0 40 FEAB NC(=O)CN1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 58215710 CEPLRKFASBBRRS-UHFFFAOYSA-N 361.442 2.187 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 58309753 LALGUHGTKYVYHW-WMLDXEAASA-N 361.442 2.377 0 40 FEAB COC(=O)Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)OC)cc2oc1=O 2234060 HDZIGRGCVIDDLJ-VIFPVBQESA-N 368.769 2.411 0 40 FEAB O=C(CCc1nc(-c2ccsc2)no1)NCc1nnc2ccccn12 8327060 ODHOATBKDJMXAS-UHFFFAOYSA-N 354.395 2.090 0 40 FEAB O=C1COc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc2N1 48288391 JLWAPLMHKNWITH-INIZCTEOSA-N 351.406 2.022 0 40 FEAB Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccc2c(c1)OCO2 3449334 JTZZYEIZNMONQO-UHFFFAOYSA-N 368.389 2.214 0 40 FEAB CCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 17115905 IVVTYAKXFYRYGE-UHFFFAOYSA-N 366.270 2.029 0 40 FEAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NC1CCCC1 6114383 MNHRNKLEJRYQQC-CQSZACIVSA-N 358.438 2.413 0 40 FEAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(=O)[nH]c(=O)[nH]2)N3)C1 18192162 KNXCZLIYKCXTLE-CLAHSXSESA-N 374.466 2.130 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCNC(=O)Cc1ccc(F)cc1 60273330 FUICBGPXELPVAA-XBXARRHUSA-N 370.380 2.043 0 40 FEAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1cccc(C(=O)O)c1 4675537 DCCMODPUGGYYCH-RIYZIHGNSA-N 368.345 2.153 0 40 FEAB C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 4723304 JKYQSZVUTGSXSR-OAHLLOKOSA-N 361.467 2.177 0 40 FEAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3-c3ccc(O)cc3)nc12 7247391 LIRNMTZLWHUBLD-UHFFFAOYSA-N 366.406 2.205 0 40 FEAB COc1cc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC 7224175 ATRQHIWNHNFBRW-LLVKDONJSA-N 373.409 2.250 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2cccc(Cl)c2)c2ccccc2O1 7826745 PMJAQECTNMPRPE-INIZCTEOSA-N 360.797 2.259 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 7909326 SELGHVUAVWLJAC-HNNXBMFYSA-N 365.433 2.421 0 40 FEAB CC(=O)OCCc1cccc(NC(=O)NCC(C)(C)N2CCOCC2)c1 96013037 UJBYFXODJRLZRN-UHFFFAOYSA-N 363.458 2.025 0 40 FEAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2cc(=O)n3ccsc3n2)cc1 9393788 VMDHERNITHSXEN-GFCCVEGCSA-N 372.402 2.469 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cs1 24468453 PNSPELZPULVGDK-UHFFFAOYSA-N 355.460 2.097 0 40 FEAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCC2=O)c1 89779463 BMWUDHUZPHPBHO-KRWDZBQOSA-N 369.465 2.334 0 40 FEAB CCOc1cc(Br)c(/C=C2/NC(=O)N(C)C2=O)cc1OC 409191514 XYZPDDGFAGGOST-BJMVGYQFSA-N 355.188 2.379 0 40 FEAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cccn1C)C2 306141784 WGJYFGKTCDCHCQ-OAHLLOKOSA-N 372.444 2.175 0 40 FEAB COCCn1cc(C(=O)N2CCNC[C@@H]2c2ccncc2)c2ccccc21 520830626 QCWBKQZSMVUSSX-HXUWFJFHSA-N 364.449 2.469 0 40 FEAB O=C(NCc1cn2ccccc2n1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 127970462 OGQJLVLTOAQTRO-QAPCUYQASA-N 353.470 2.493 0 40 FEAB Cc1noc([C@H](C)N2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)n1 188380796 KPFLRWYMSLPBFF-JTQLQIEISA-N 369.347 2.311 0 40 FEAB CCOCCCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)O 217561766 TZJYJXGIHRJDRW-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)[C@@H]2CCCO2)n1 72352087 BIIOMDIOKBHRLT-KRWDZBQOSA-N 372.400 2.014 0 40 FEAB CCOc1ccccc1CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 216003227 FSNRUYZSERUNIO-IYBDPMFKSA-N 356.422 2.043 0 40 FEAB Cn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1cccs1 72340770 QJVLOFRKONOXDG-UHFFFAOYSA-N 368.466 2.307 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)Cc1ccccc1F 225879103 NAEOJTAGIQOLHP-UHFFFAOYSA-N 371.459 2.259 0 40 FEAB Cc1noc(-c2ccn3c(CNC(=O)C4(c5ccccc5)CC4)nnc3c2)n1 225746518 AODRELGQGXECBX-UHFFFAOYSA-N 374.404 2.436 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)o1 574184526 WWBDJKBBEPYJOC-UHFFFAOYSA-N 350.440 2.245 0 40 FEAB CCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224360042 MMCHSFKHOQVCCE-UHFFFAOYSA-N 355.442 2.194 0 40 FEAB O=C(C[C@H]1C=CCC1)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044453 QRWJZXJPDWDFMX-MAUKXSAKSA-N 359.470 2.396 0 40 FEAB COc1cc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc(OC)c1 96171291 FRWZEKWHSCCJEU-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 96318854 HDHIZXDDRJMVJT-SCVCMEIPSA-N 363.416 2.141 0 40 FEAB CC(C)(F)C(=O)N1CCC[C@@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 583621008 HZNAFANSPDBKAB-CYBMUJFWSA-N 358.417 2.425 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N(C)CCN(C)C)[C@H]31)O2 248009345 PAYTYWAMHPSKFB-MMCAFHBRSA-N 356.466 2.375 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 247305071 GNSZUIOGIVYPAH-MRXNPFEDSA-N 373.478 2.363 0 40 FEAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)[C@@H]1C[C@@H](C)CCO1 585081699 JMSIQIMZOWPPHY-KXBFYZLASA-N 361.486 2.196 0 40 FEAB CCN1C(=O)C[C@H](C(=O)N(C)CCc2ccccc2F)[C@H]1c1nccn1C 1615588758 HFLMLRLVEJVNEX-YJBOKZPZSA-N 372.444 2.170 0 40 FEAB O=C(O)Cn1cc(CCN2CCC[C@@H](c3ccc(F)c(F)c3)C2)nn1 629363611 GNOURGKXWRELKK-CYBMUJFWSA-N 350.369 2.063 0 40 FEAB FC(F)(F)c1ccnc(N[C@H]2CCCN(CCN3CCOCC3)C2)c1 641718545 QMUKRWKLVJIHTI-HNNXBMFYSA-N 358.408 2.309 0 40 FEAB O=C1NCCN(C(=O)c2cnc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 97655318 RLRNDQNVDXYARE-SFHVURJKSA-N 353.397 2.413 0 40 FEAB CCN(C(=O)c1cnc(C(=O)O)cn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 578890684 UAIXMVWNFYJICT-GDBMZVCRSA-N 368.437 2.472 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@H]21 585109257 FJAGXKWGCMCEPB-IPYPFGDCSA-N 362.476 2.356 0 40 FEAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCC(C)CC2)no1 585094926 URNWQXPLYPKMNI-OAHLLOKOSA-N 357.458 2.016 0 40 FEAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)c1 585103103 QIIFWWIATPQBRY-KRWDZBQOSA-N 364.511 2.058 0 40 FEAB CO[C@@]1(COc2ccc(F)cc2)CCCN(CC2(O)CCOCC2)C1 585276472 KEWCHOCGNIPHHJ-IBGZPJMESA-N 353.434 2.227 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)c1[nH]c2ccc(Cl)cc2c1Cl 56677000 KDOBWNJQDJKYLN-UHFFFAOYSA-N 370.236 2.453 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1ncccc1=O 11856222 VDGTXLVHCXVWRC-JTQLQIEISA-N 356.209 2.134 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)N4CCCCCC4)c(=O)n3c2c1 12181540 YUWRVUVVARGKCT-UHFFFAOYSA-N 368.437 2.369 0 40 FEAB Cc1ccc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cn1 12223146 RASZCRCNEOQWKF-UHFFFAOYSA-N 359.451 2.208 0 40 FEAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)N1CCC[C@H](O)C1 13266272 LZIATSHUWHFPQV-HNNXBMFYSA-N 373.478 2.244 0 40 FEAB CCc1cc(CNC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)on1 19522799 SAYSZYLCJXAHQO-UHFFFAOYSA-N 350.440 2.334 0 40 FEAB COc1cccc(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1 19564753 WPUOMNADQGZNGS-MRXNPFEDSA-N 354.454 2.368 0 40 FEAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1nccn1C)CC3 19583236 XCKVLGJXNSSDKF-UHFFFAOYSA-N 364.409 2.295 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)sc2C1 19748769 XRBCNWBLSWLPHH-NSHDSACASA-N 371.528 2.268 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)ccc1F 19570818 QRULCCSIWIQXEP-UHFFFAOYSA-N 350.371 2.290 0 40 FEAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(C(N)=O)cc1 7198309 HXVZWRPAYLOSRQ-SSDOTTSWSA-N 373.360 2.052 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888860101 CGSKUXGMTBKDDD-KURKYZTESA-N 364.449 2.075 0 40 FEAB O=C1[C@@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@H]2C(=O)N1c1ccccc1 1888867078 LKBAXHMOMPFMQP-VXGBXAGGSA-N 362.311 2.121 0 40 FEAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)C(C)(C)N)C2)n1 2037835113 ZRFMSKJIZPIAFN-LBPRGKRZSA-N 360.487 2.347 0 40 FEAB Cc1ncncc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909140 YASFGPZACCCAHX-LJQANCHMSA-N 359.401 2.360 0 40 FEAB COc1cc(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)on1 1614933892 ZFCCHEYKEIKRAA-KRWDZBQOSA-N 361.423 2.404 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1nccs1 4376957 ISKYXUNDFKSWKI-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)s1 9366921 GGLNMDTUCSJJDZ-UHFFFAOYSA-N 358.474 2.023 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12276960 CYQBIBRVAZRZGH-BLDNINTCSA-N 367.373 2.161 0 40 FEAB Cc1ncoc1C(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751292 FXUNFOYIHANYFL-UHFFFAOYSA-N 368.437 2.302 0 40 FEAB CCN1CCN(C[C@@H](O)COCCOc2ccccc2C(C)C)CC1 22466311 DMTWLQAUQBKRAY-GOSISDBHSA-N 350.503 2.204 0 40 FEAB O=c1ccc(-c2ccncc2)nn1C1CN(c2nc(C3CC3)ns2)C1 1775975882 PJWWWQZMLCPCIR-UHFFFAOYSA-N 352.423 2.096 0 40 FEAB Cn1cc(-c2cc(CNC(=O)NCc3ccc4c(c3)OCO4)ccn2)cn1 575618824 PIQARCFXEZOARY-UHFFFAOYSA-N 365.393 2.210 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)NCc2cccnc2-n2cccn2)c1 31227593 CPNZNZXZGDMYSY-VWLOTQADSA-N 354.435 2.076 0 40 FEAB CC1(C)CC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC(C)(C)N1 32103558 FNMCVDIQAUVGMM-UHFFFAOYSA-N 368.481 2.382 0 40 FEAB O=C(NCCc1c[nH]cn1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 20731993 BPAXMIIDCMAXLG-UHFFFAOYSA-N 374.400 2.178 0 40 FEAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 2938214 OIZQEKYTMJEAQE-QGZVFWFLSA-N 364.442 2.242 0 40 FEAB Cc1cc(NC(=O)COC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1 7804838 WDLMIEYYSXFPIS-UHFFFAOYSA-N 367.402 2.112 0 40 FEAB CCc1nnc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)s1 2660388 VPGPZAYGHWPAJY-ZDUSSCGKSA-N 368.484 2.042 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1ccsc1 32901560 ORZZIUQGSYLHEB-UHFFFAOYSA-N 366.464 2.379 0 40 FEAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)on1 8941890 GHKUBSQGBWWRJL-UHFFFAOYSA-N 369.377 2.438 0 40 FEAB COc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102087915 GJIWHVVCMDEGIT-OPZLCJORSA-N 366.417 2.075 0 40 FEAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2Cc3ccccc3O2)c1 22602638 YXAZWRMBBOSCJS-SFHVURJKSA-N 351.406 2.328 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc21 102950255 NTOOLKXDSWDFJL-ZIAGYGMSSA-N 366.421 2.336 0 40 FEAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 987737 RZUSUARMPOYRCD-UHFFFAOYSA-N 361.423 2.181 0 40 FEAB c1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2ccncc2)cc1 24014150 SCFNXBXGGVAFBK-UHFFFAOYSA-N 373.405 2.313 0 40 FEAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4cc(C)nn34)C(=O)N1CC2 1384273 HXXIQPLMSJKLKC-OAHLLOKOSA-N 364.405 2.351 0 40 FEAB CC(=O)Nc1ccc(C)c(NCC(=O)NC(=O)NCc2ccccc2)c1 55841828 VUCJBWOPPDXGDH-UHFFFAOYSA-N 354.410 2.391 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 111864670 NQHZGKMKIFLPPQ-UHFFFAOYSA-N 374.466 2.267 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cnc2ccccc2c1 25156958 GMLDKARJGCNUIM-UHFFFAOYSA-N 352.394 2.428 0 40 FEAB Cc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1-n1cnnn1 44245972 YMPZZNKZSHSSPK-UHFFFAOYSA-N 356.361 2.310 0 40 FEAB CCN(CC)c1ccc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cn1 58009110 DAAVBFNOFWVQMO-UHFFFAOYSA-N 351.414 2.464 0 40 FEAB Cc1cc2nc(C)c(CCC(=O)N3CCC[C@@H]3Cn3ccnc3)c(C)n2n1 177812173 KKPXHKMRMMKECO-QGZVFWFLSA-N 366.469 2.475 0 40 FEAB COC(=O)C1(NS(=O)(=O)c2ccc(C(C)=O)cc2)CCCCCC1 27972955 QSSQDSBXKHGUBS-UHFFFAOYSA-N 353.440 2.434 0 40 FEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCC[C@@H]1CCO 2303317 JZLKIKCXUABCET-CQSZACIVSA-N 373.453 2.438 0 40 FEAB CCN(CCc1ccccc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 58711526 GVKJLXVUKJRKNF-UHFFFAOYSA-N 357.454 2.332 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3sccc3C2)cc1 10924461 QSVKJNAWKYNIIG-UHFFFAOYSA-N 364.492 2.038 0 40 FEAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl 12749451 BEXPAEYMCBAAJM-LLVKDONJSA-N 357.797 2.221 0 40 FEAB Oc1ccccc1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11490482 FIICDIOKPVCNSB-UHFFFAOYSA-N 364.331 2.175 0 40 FEAB COc1ccc(C)cc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497714 NJJVHSVATLPNGQ-KRWDZBQOSA-N 357.362 2.325 0 40 FEAB CC(C)N(C(=O)CSc1nnc(Cc2ccccc2F)n1N)C(C)C 3519711 YNVIGKPZZUAAHM-UHFFFAOYSA-N 365.478 2.459 0 40 FEAB Cn1nc(C(=O)Nc2ccnn2Cc2cccs2)c2ccccc2c1=O 12973110 QSDTVFWIASXFCV-UHFFFAOYSA-N 365.418 2.492 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)ccc21 12925568 TXXPRGKFQBDFRQ-OAHLLOKOSA-N 355.438 2.325 0 40 FEAB CC(C)CNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 49544107 PIIIQFBOLPBXGU-UHFFFAOYSA-N 364.243 2.445 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 4285436 SITYNORHDSHQLA-AWEZNQCLSA-N 367.467 2.149 0 40 FEAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12 5207351 IJNKNNWEIOGNDU-UHFFFAOYSA-N 355.394 2.192 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9548322 ISIMOFNEYVOADR-OAHLLOKOSA-N 352.390 2.460 0 40 FEAB CC1(C)Oc2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)CN3)cc2O1 65542984 CBPLTTCFTABTCG-UHFFFAOYSA-N 366.377 2.082 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C2=O 4514968 CXEMGVDKIGPLAP-BLVKFPJESA-N 358.394 2.141 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)c2ccc([S@](C)=O)cc2)cn1 65727938 SWFUFHYAAQKNRV-RUZDIDTESA-N 354.435 2.243 0 40 FEAB Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)nn1-c1ccc(F)cc1 14247625 ACXHQUXPFBHFBA-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB O=C1C[C@]2(CCN=N2)C(=O)N1c1ccc(I)cc1 4670397 VOHQQKKVSUVRQE-GFCCVEGCSA-N 355.135 2.149 0 40 FEAB CCc1cccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3sccc32)c1 6678954 LUBXFWULOSXVTN-UHFFFAOYSA-N 357.435 2.446 0 40 FEAB O=S(=O)(c1ccc(CN2CCC[C@@H]2CN2CCCC2)o1)N1CCCC1 66536856 IWHNYMQLZPBVAX-MRXNPFEDSA-N 367.515 2.124 0 40 FEAB O=C(COCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 4924824 MHTAZPAMKIJKMJ-UHFFFAOYSA-N 364.445 2.173 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(O)c1 9256585 WAFXLQHACIGHJA-FQEVSTJZSA-N 365.389 2.033 0 40 FEAB O=C(CSc1nnc(Cc2ccccc2)o1)NC(=O)NCC(F)(F)F 7298007 AJDWZPGLNFNDES-UHFFFAOYSA-N 374.344 2.141 0 40 FEAB COc1cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 15603871 XRIXCZJBPXJFPB-UHFFFAOYSA-N 369.377 2.130 0 40 FEAB CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 8319417 IGTPXBRFPKCAIT-CYBMUJFWSA-N 352.866 2.085 0 40 FEAB COc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1 9576140 RGBFENRGFLPTOW-UHFFFAOYSA-N 357.801 2.442 0 40 FEAB CN(CCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 97601806 DHOOVEBSVZLIPQ-HDICACEKSA-N 371.481 2.194 0 40 FEAB CC(C)(C)NC(=O)CNC(=O)Cn1c(-c2cscn2)nc2ccccc21 9918102 QRTHVFQZJDXXMY-UHFFFAOYSA-N 371.466 2.191 0 40 FEAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408597693 VWGUMHBDZIOOAT-LLVKDONJSA-N 362.879 2.322 0 40 FEAB Cc1cc(C(F)(F)C(=O)N2CCC(Cc3nn[nH]n3)CC2)cnc1Cl 1521867852 NJKPNXLARXWFNA-UHFFFAOYSA-N 370.791 2.130 0 40 FEAB COc1ccc(CCNC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1 32889503 YURAYTHHCVRGAC-HOTGVXAUSA-N 363.502 2.425 0 40 FEAB COC(=O)CCCC(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12 72342871 VMYYHTXTCYRNEX-UHFFFAOYSA-N 368.437 2.459 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218576640 XTHXNLHYCFLGNL-VYDXJSESSA-N 365.838 2.309 0 40 FEAB COc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3F)CC2)n1 35315752 TWYZMAPSHCSCEE-UHFFFAOYSA-N 358.417 2.466 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCN(C)CC2)C1 72395267 HAQRXPPOWKUGBM-MRXNPFEDSA-N 355.486 2.036 0 40 FEAB O=C(Nc1ccc2cn[nH]c2c1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816967 ORFRJBZZTAGESG-UHFFFAOYSA-N 364.361 2.002 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)C[C@H](Cc2ccccn2)C1 72353555 CZBRRSZYLRWBMZ-GOSISDBHSA-N 369.440 2.313 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225521781 MCFFFJUDTBWBFF-GJZGRUSLSA-N 352.438 2.053 0 40 FEAB CCOC(=O)c1c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)n[nH]c1C 47417796 ASMYDKWMAYJJOW-UHFFFAOYSA-N 373.818 2.358 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(F)c2)cc1 224866506 JLMOWHYGWGLKSX-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB CCOc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225878088 TUKXDGDAEYRZSU-UHFFFAOYSA-N 355.441 2.474 0 40 FEAB CSc1ncc(C(=O)O)c(N(C)S(=O)(=O)c2ccc(C)cc2)n1 223399901 HHIAQOSXYONGNP-UHFFFAOYSA-N 353.425 2.030 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@]3(C[C@H](Nc4ccccn4)CO3)C2)cn1 96222948 USKMZEFTNSHLLM-KXBFYZLASA-N 353.426 2.056 0 40 FEAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)[C@H]1CC=CCC1 96044457 GWKSRSNZKHIFJX-FUHWJXTLSA-N 359.470 2.396 0 40 FEAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cccc(F)c3)CC2)C1 96106601 TUOIPEKPMIPPSN-KRWDZBQOSA-N 350.434 2.054 0 40 FEAB CNC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C 96144952 GIHVIZSJXDDCRV-UHFFFAOYSA-N 357.433 2.265 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(Cc1ccncc1)C2 96044984 CJNNGGMFTBXTQE-SFHVURJKSA-N 356.470 2.358 0 40 FEAB Cc1nnc2ccc(SCC(=O)N3CCO[C@@H](c4ccccc4)C3)nn12 96117601 YVDMPFWABCMGGY-OAHLLOKOSA-N 369.450 2.125 0 40 FEAB Cn1ccnc1-c1cncc(CC2CCN(C(=O)c3ccccn3)CC2)n1 257322094 WEOKOLSFYNMJDM-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB Cc1ccc2c(CC(=O)N3CCO[C@H](c4nccnc4N)C3)coc2c1 257266847 MEVKHUQQRNGOLB-INIZCTEOSA-N 352.394 2.256 0 40 FEAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646656982 AEQVHFZUILRQTP-ITGUQSILSA-N 362.227 2.150 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 1775957674 HOBMXCFBJMAKJX-OKZBNKHCSA-N 370.453 2.331 0 40 FEAB CCCn1ncc(C(=O)N2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)c1C1CC1 619284646 RBZOFVXGIAUAJU-IAQYHMDHSA-N 359.430 2.464 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@](O)(COc3ccc(C)cc3)C2)[nH]1 585277630 NUINBXORXUZFHJ-FQEVSTJZSA-N 359.470 2.231 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@](O)(COc2ccccc2)C1 585276365 NGCXWRKTBBAULZ-KRWDZBQOSA-N 351.399 2.030 0 40 FEAB CC(C)c1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccn3C3CC3)C2)n[nH]1 685942698 MFROUYMBJVNELN-WOSRLPQWSA-N 357.458 2.349 0 40 FEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 680940220 PZVSSXTZRNLQKF-INMHGKMJSA-N 370.501 2.168 0 40 FEAB N=C(N)NCCC[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5774103 MIEFCSJODWGRBK-MRXNPFEDSA-N 369.425 2.251 0 40 FEAB Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 12980373 FFUDAWFLMWRLPH-ZDUSSCGKSA-N 351.453 2.243 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCc1ccc(-n2cccn2)cc1 14675798 SHJHXPKHOUTNEI-UHFFFAOYSA-N 360.373 2.326 0 40 FEAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 16637385 MZBJMUYCLPGLQZ-AWEZNQCLSA-N 356.488 2.401 0 40 FEAB COc1ccccc1OCCCN1CCN(C(=O)c2cncnc2C)CC1 19552963 BUZGVQVVCKRSDQ-UHFFFAOYSA-N 370.453 2.021 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19590458 RRAKVSHTBYMRAG-OAHLLOKOSA-N 366.465 2.493 0 40 FEAB CN(Cc1cc([C@H]2CCCNC2)nn1C)C(=O)COc1ccc(F)cc1 19709149 DCCNMNFNZILIPA-AWEZNQCLSA-N 360.433 2.064 0 40 FEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(N2CCOCC2)cc1 19717326 RSEIGKPUVKBGNF-AWEZNQCLSA-N 356.470 2.235 0 40 FEAB CCOC(=O)[C@H](C[C@@H](C(=O)OCC)c1c[nH]c2ccccc12)NC(C)=O 2556358 XELKUJCVXJPLMM-PBHICJAKSA-N 360.410 2.273 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cn(C)nc1C(F)(F)F 546621242 LNDQXIYYXLJHHG-UHFFFAOYSA-N 369.346 2.308 0 40 FEAB COc1cc(OC)cc(N2CC[C@H](N(C)c3nc(C)cc(C)n3)C2=O)c1 565354159 KJZFEGXFEXFODH-KRWDZBQOSA-N 356.426 2.352 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc2nc(C)cc(C)n2n1 6653833 BSOBJNVVUIQNDD-UHFFFAOYSA-N 367.409 2.175 0 40 FEAB O=C(C1CCN(c2ncnc3cnccc23)CC1)N1CCC(F)(F)CC1 1888856853 NEMGHDAMLCOFAA-UHFFFAOYSA-N 361.396 2.499 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)c4cscn4)CC3)ccc2n1 1888880089 YYKWMFIWHMNVEU-UHFFFAOYSA-N 357.439 2.425 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 15616212 YZDWUSOXEXRWMK-UHFFFAOYSA-N 371.462 2.391 0 40 FEAB Cc1cnc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cn1 1775995466 XFOILLWHMAOSFJ-UHFFFAOYSA-N 355.442 2.117 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1 2037716131 GJJKFHFZOWYZPB-INIZCTEOSA-N 352.394 2.196 0 40 FEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)Cc4ccc(F)cn4)CC3)O2)n1 1565542956 MTJOUGFVXBFCGX-HNNXBMFYSA-N 360.389 2.368 0 40 FEAB CNC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 4496312 YOVFPMVZKXOGOH-UHFFFAOYSA-N 370.427 2.049 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn([C@H]2CCOC2)c1 211124911 WNQLSUQIPOOKRJ-UONOGXRCSA-N 350.419 2.183 0 40 FEAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1cccc(F)c1 45970507 DGSYATNMKNWJOM-UHFFFAOYSA-N 373.413 2.231 0 40 FEAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCc2ccco2)c2ccsc2)n1 585148063 FPPIFJUSHDWJTA-INIZCTEOSA-N 372.450 2.176 0 40 FEAB O=S(=O)(CCOc1ccccc1)Nc1cnn(C[C@H]2CCCCO2)c1 390826838 CEIYBVJDLDUALL-QGZVFWFLSA-N 365.455 2.273 0 40 FEAB Brc1ccc(N2C[C@H]3CN(c4nncs4)C[C@H]3C2)nc1 2298178379 JGEYOJRXTUEVPH-AOOOYVTPSA-N 352.261 2.268 0 40 FEAB CN1C[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O 12087808 ZWAGBLJJHCPBKT-OAHLLOKOSA-N 352.438 2.001 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCc3cccs3)n2)o1 19216722 LRQYQRIOTHJSQM-LLVKDONJSA-N 358.423 2.333 0 40 FEAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2C)OCCO)cc1 96337980 BTJWLTCUMRTYIF-QGZVFWFLSA-N 367.442 2.471 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1)C1CC1 40033944 PKEVTWQJEPTFSD-UHFFFAOYSA-N 364.449 2.388 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2cnccn2)C1 29780960 WYUQTTKUWVMIHN-HNNXBMFYSA-N 364.453 2.318 0 40 FEAB O=C(COc1cccc(F)c1)NNC(=O)c1ccccc1Br 2662445 LXWXNSUFLDUAJQ-UHFFFAOYSA-N 367.174 2.428 0 40 FEAB Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cs1 21244758 DECBQAKCACQOPO-SNVBAGLBSA-N 362.407 2.336 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 7654008 NPWFMDVIZHVLOG-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102592997 YTBGQGXXTYULJY-GZXFCSGKSA-N 366.417 2.077 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 2799077 QTCHXDOWVDZNIB-UHFFFAOYSA-N 368.422 2.352 0 40 FEAB COc1cccc(CN(C)C(=O)CCn2ncc(=O)c3ccccc32)c1 52936991 DCZHCJDOPIGGCC-UHFFFAOYSA-N 351.406 2.454 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)c1cccnc1 12321750 RTXUXSOHNKOXIC-IBGZPJMESA-N 360.417 2.134 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cc1 47264655 ISXIOKUOIVEHGP-HNNXBMFYSA-N 361.467 2.158 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)c(OC)c1 24090997 FTQXKYGAHFROJM-DLNNWJJFSA-N 362.426 2.189 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 24594477 UVSMMPYLWMUVST-MRXNPFEDSA-N 371.481 2.491 0 40 FEAB COc1cc(CNC[C@H](c2ccco2)N2CCCC2)ccc1OCC(N)=O 24993261 VEBIJYKMOGRZER-MRXNPFEDSA-N 373.453 2.079 0 40 FEAB C[C@H](NC(=O)NC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 106522160 BOABYMUYASKSGQ-RZLSGREXSA-N 368.437 2.047 0 40 FEAB CCOc1cc(CNC(CC)(CO)CO)cc(Br)c1OC 76017837 UKHSJBQJOKXUTN-UHFFFAOYSA-N 362.264 2.079 0 40 FEAB CC[C@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)c1ccccc1 1859903 BPQWDWPCJWSTJA-INIZCTEOSA-N 361.419 2.170 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 58210830 AILOVCPOKFVFRK-UHFFFAOYSA-N 350.463 2.095 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCc3cccs3)ccc2N1S(C)(=O)=O 20910583 UDUVLVDCPRXKLS-NSHDSACASA-N 350.465 2.389 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2cccnc2Cl)cc1OC 3266053 LRYLCGAALVRWJQ-UHFFFAOYSA-N 364.785 2.477 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)CCNC(=O)c2ccccc2)c1C 12768403 SADSMICBTQOOQD-UHFFFAOYSA-N 353.422 2.178 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2F)C1=O 409233815 HSLGPYJTXTUZPF-XNTDXEJSSA-N 369.352 2.366 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cc2ccccc2o1 8406058 UPJWUEFLCAKBMS-GFCCVEGCSA-N 355.394 2.475 0 40 FEAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O 3595264 DJQRNDMVIPQTKA-PIGZYNQJSA-N 351.834 2.412 0 40 FEAB CC(C)c1ccc(COC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)cc1 13011571 XBLGAOCTJVWQDV-UHFFFAOYSA-N 353.378 2.102 0 40 FEAB CCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 8500912 MFZBZKJWMVMMDB-QGZVFWFLSA-N 351.834 2.413 0 40 FEAB O=C(O)C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 13256771 RLEYVDGDQOIBTQ-AWEZNQCLSA-N 358.785 2.417 0 40 FEAB O=C(Oc1ccccc1F)c1cccc(CN2CCS(=O)(=O)CC2)c1 64316631 PRBOHAUYHPTIIL-UHFFFAOYSA-N 363.410 2.275 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccccc1F 8734287 DXQDVXRAUBJXGV-LJQANCHMSA-N 354.337 2.238 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5303240 ZTRAJKIJFKZYAW-INIZCTEOSA-N 356.403 2.073 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(F)c1 8777331 IWLXWNAHIOZQPQ-CQSZACIVSA-N 367.402 2.222 0 40 FEAB COc1cccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)c1 14197368 AMNJFHDPXSZLHJ-UHFFFAOYSA-N 352.394 2.002 0 40 FEAB CCN(C[C@H]1CCOC1)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 65622610 RVGJDSVMSVWWLL-CQSZACIVSA-N 360.483 2.427 0 40 FEAB CCc1nnc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)s1 8751488 NVZVNNWYZABSCR-VIFPVBQESA-N 366.468 2.063 0 40 FEAB O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@H](c2ccccc2F)C1 67386182 GDXCNHFBYVJMFB-YJBOKZPZSA-N 366.433 2.494 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 15905675 ZIBLVJPAVSRSNK-OEMYIYORSA-N 361.401 2.002 0 40 FEAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CSCC3)cc1Cl 71286436 DSGSWUJQDHTDBG-UHFFFAOYSA-N 365.842 2.333 0 40 FEAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 16585849 UZSGLOPUIXTIGB-AWEZNQCLSA-N 361.467 2.101 0 40 FEAB CCn1c(SCC(C)=O)nnc1-c1nnn(Cc2ccc(C)cc2)c1N 19897441 ALDLQZWHAGUEDU-UHFFFAOYSA-N 371.470 2.177 0 40 FEAB O=C(c1cnccn1)N1CC[C@@H](c2nnn3cc(-c4cccnc4)ccc23)C1 306130142 IXJWWNOAWNPCST-MRXNPFEDSA-N 371.404 2.211 0 40 FEAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1nnc2n1CCC2 95461088 HPVADJWJGWVWSS-CQSZACIVSA-N 357.462 2.391 0 40 FEAB CC(C)n1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)cn1 66585395 TUWGGQPASVKQGL-UHFFFAOYSA-N 373.818 2.382 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)cc1 408559801 YZJOTDFHWYOMQW-HNNXBMFYSA-N 368.499 2.354 0 40 FEAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)c(OC)c1OC 524730992 GAZODHVPYIXECF-LBPRGKRZSA-N 359.378 2.161 0 40 FEAB biogenic Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1 33739831 MJGUHUTVAZDNDR-UHFFFAOYSA-N 363.776 2.481 0 40 FEAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428733 XIHCLCRTZLATCX-ULQDDVLXSA-N 351.855 2.217 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1 223829072 LXJDCUXIDOPVMC-UHFFFAOYSA-N 374.875 2.061 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)c(C)c2)ccc1OC 222903628 IPNRGMIZYXAEQE-UHFFFAOYSA-N 362.451 2.497 0 40 FEAB Cc1c(Br)ccc2c1N(C(=O)[C@@H](C)S(C)(=O)=O)CCC2 332669714 HEZYUMAZAQVMDG-SNVBAGLBSA-N 360.273 2.470 0 40 FEAB Cn1cc(-c2cnc3n2CCC32CCN(C(=O)c3cccnc3)CC2)cn1 96243498 RDDYQQZPYXLIJC-UHFFFAOYSA-N 362.437 2.256 0 40 FEAB COc1cc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)ncn1 96228216 KEVVDWJSCBAMBG-UHFFFAOYSA-N 353.426 2.042 0 40 FEAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96058388 DXNQNAICRWKQGD-GOSISDBHSA-N 365.433 2.373 0 40 FEAB Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)NCCN3CC(C)C)c1 96230181 VNJPAVITBYYFOM-UHFFFAOYSA-N 358.486 2.449 0 40 FEAB CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96228368 MXBUBNZMPHNGOX-XLIONFOSSA-N 360.502 2.319 0 40 FEAB CCc1ccc(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)cc1 96259525 CYEUPGBKVKJQLJ-UHFFFAOYSA-N 350.426 2.131 0 40 FEAB CN(C)c1cncc([C@@H]2CCCN2Cc2ccccc2OCC(=O)O)n1 257244001 IJLUIZLWYSXUKD-INIZCTEOSA-N 356.426 2.343 0 40 FEAB C/C(=C\c1ccccc1)C(=O)NCCN1c2ccccc2N(C)S1(=O)=O 253472215 KIUGILSTMMKTBM-CCEZHUSRSA-N 371.462 2.407 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](c2cc(O)nc(O)n2)C1 639716871 RUAVRWDTHXCOSB-LLVKDONJSA-N 362.817 2.278 0 40 FEAB CC[C@@H]1[C@@H](NC(=O)c2cnn(C(C)C)c2)CCN1C(=O)COC(C)(C)C 1684960261 MIVMOAYWZKPEEE-JKSUJKDBSA-N 364.490 2.388 0 40 FEAB CN(C)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)c1 96365506 NQUGBXDVARXVIF-SFHVURJKSA-N 358.463 2.441 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1ccoc1)CC2 585105363 VBTBVHRTEGFMIC-QGZVFWFLSA-N 350.459 2.146 0 40 FEAB CO[C@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1cccc(F)c1 585279846 QNXRXFZBPHYXTM-PBHICJAKSA-N 359.401 2.350 0 40 FEAB CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585106743 HBHDUMWVJLWCID-BUNACBEFSA-N 366.465 2.301 0 40 FEAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cccc2cccnc12 585278528 OLQIGJWIXQQKAR-IRXDYDNUSA-N 355.438 2.381 0 40 FEAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)[C@H](OC)C2)nc1 585280191 ZSVWCTUESGIIHC-RHSMWYFYSA-N 358.417 2.377 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1 53778163 BWBSGYYGVYKNJO-UHFFFAOYSA-N 373.497 2.132 0 40 FEAB O=C(NCCCn1nc2n(c1=O)CCCC2)C1(c2ccccc2)CCC1 58210621 VQUICVFONRHLSO-UHFFFAOYSA-N 354.454 2.009 0 40 FEAB CC(C)Oc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66480674 GBOFPEZTZPFILI-GOSISDBHSA-N 374.481 2.256 0 40 FEAB CO[C@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)c1cccc(Cl)c1 673980071 ODDUGAXKQUCKOZ-OAHLLOKOSA-N 351.834 2.044 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)c(C)n1 12325265 UCWROQYJAQMJRP-OAHLLOKOSA-N 370.906 2.446 0 40 FEAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2cccs2)C1 12730418 PLHXOIOOOSLWCV-VIFPVBQESA-N 357.482 2.023 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCc3cccc(OC)c3)CC2=O)cc1 13999375 QNXOQYVZTBNUJX-HNNXBMFYSA-N 354.406 2.373 0 40 FEAB Cn1cc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cn1 19290656 JEABFRQLIMSGFL-UHFFFAOYSA-N 368.890 2.252 0 40 FEAB c1cc2c(cc1CN1CCc3nc([C@H]4CCCN4)ncc3C1)OCCO2 19345795 JVEBQPLPEUYRLB-QGZVFWFLSA-N 352.438 2.231 0 40 FEAB Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 19716961 OYUVTNNOJZBOHF-MRXNPFEDSA-N 354.454 2.500 0 40 FEAB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC#N 8477215 WIXOFEJZAYFDEZ-GXDHUFHOSA-N 369.377 2.002 0 40 FEAB Oc1cc(N2CCN(c3ncc(F)cn3)CC2)c(-c2ccccc2)nn1 1888890282 KBTYPMLWSXQMDU-UHFFFAOYSA-N 352.373 2.105 0 40 FEAB CCc1cc(OCC2CCN(c3ncnc4ncn(C)c34)CC2)nnc1C 1888897419 SPQHGDXISGQEIR-UHFFFAOYSA-N 367.457 2.320 0 40 FEAB O=C(c1cc(-c2ccccc2)on1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888897880 XSBFDHQVNOFOIG-HZPDHXFCSA-N 361.405 2.340 0 40 FEAB c1ccn2cc(CN3CCN(c4ccnc(N5CCCC5)n4)CC3)nc2c1 1136881779 FOMRVHDDEAMZBS-UHFFFAOYSA-N 363.469 2.047 0 40 FEAB CCCNC(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775963907 JHHHXHNNTVAGMI-HNNXBMFYSA-N 371.441 2.185 0 40 FEAB biogenic,in-vitro CC1CCC(C(=O)N2C[C@H]3OC[C@@H](CC(=O)N4CCCCO4)[C@H]3C2)CC1 1565547204 LXIJPGADPOXUJB-NHHFINERSA-N 364.486 2.230 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccco1 10251761 RGWCAYVLPNGOFF-UHFFFAOYSA-N 355.741 2.213 0 40 FEAB CCC(CC)CN1CCN(C(=O)C(C)C)C[C@]2(CC(=O)N(CC)C2)C1 2055796031 NDMZUTBYOPTSEZ-HXUWFJFHSA-N 351.535 2.461 0 40 FEAB Cn1nccc1-c1ccc(CNC(=O)Cc2ccc3c(c2)OCO3)cn1 575620452 STEKKVUGUXSBDV-UHFFFAOYSA-N 350.378 2.070 0 40 FEAB O=C(NC[C@@H](c1ccsc1)n1cccn1)[C@@H]1COc2ccccc2O1 575614511 VFZHAKYHHTVCQV-YOEHRIQHSA-N 355.419 2.490 0 40 FEAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19569620 WGFDXELJAYFBPG-GOSISDBHSA-N 366.465 2.427 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)nc1C 40157962 QLADLALXLWGVIO-KRWDZBQOSA-N 374.422 2.040 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(-c2ccn[nH]2)cc1 40154646 AVGJMAZZBUOHCZ-UHFFFAOYSA-N 361.467 2.440 0 40 FEAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 46111460 KKQNVKAVOKQGFU-VIFPVBQESA-N 356.494 2.454 0 40 FEAB CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 3618229 RQCYXLSDSUTWTC-SECBINFHSA-N 352.239 2.018 0 40 FEAB CCOc1ccc(OCC)c(NC(=O)c2cnn3c(=O)cc(C)[nH]c23)c1 102522864 YSJUKCOEFYJQAT-UHFFFAOYSA-N 356.382 2.381 0 40 FEAB CCCn1nc(C(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O 2627708 OWZILQXJTAZRIR-UHFFFAOYSA-N 356.407 2.219 0 40 FEAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc(OC)c1OC 41231875 CTQNVRVXMNWEHF-UHFFFAOYSA-N 365.407 2.448 0 40 FEAB Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@H]1CCCc2ccccc21 8036318 FIGPKIFVPKGYHB-INIZCTEOSA-N 374.462 2.345 0 40 FEAB Cc1cc2c(=O)n(NC(=O)c3cc(C(F)(F)F)nn3C)c(C)nc2s1 2778236 CFOWXCRCFDGFMX-UHFFFAOYSA-N 371.344 2.211 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 8476027 RTEAAJIDTACEHL-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)[nH]c1 21918317 OWEXVKYWMKTQKW-UHFFFAOYSA-N 353.300 2.104 0 40 FEAB O=C(CNS(=O)(=O)Cc1ccc(Cl)cc1)N1CCc2ccccc21 41428324 UEDFGRMUHKMENZ-UHFFFAOYSA-N 364.854 2.349 0 40 FEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ncccc2O)CC1=O 22263078 ZOMBKONMCZUYPY-JTQLQIEISA-N 361.785 2.441 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 639704 ISYFSYQOCAJJHT-OAHLLOKOSA-N 373.405 2.227 0 40 FEAB biogenic NC(=O)C1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 12324164 YBIUEOIEPFHXKS-UHFFFAOYSA-N 364.243 2.128 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 47416001 BQNCEJLTGVQCIY-HUUCEWRRSA-N 352.500 2.188 0 40 FEAB CCCCC(=O)N[C@@](NC(=O)NCC(C)C)(C(=O)OCC)C(F)(F)F 12419527 FXSPSDZEXVHJJQ-CQSZACIVSA-N 369.384 2.070 0 40 FEAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O 56400434 KWVUAIYUXRWXDN-CQSZACIVSA-N 373.453 2.086 0 40 FEAB C[C@]1(C(=O)N2CCC[C@H](C(=O)Nc3nncs3)C2)CC1(Cl)Cl 47694637 IQEHMLIJIJECMM-QPUJVOFHSA-N 363.270 2.299 0 40 FEAB O=C(C1CCCC1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556211 YJVVNQTXNUJWIK-UHFFFAOYSA-N 368.437 2.240 0 40 FEAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(Cl)c1-n1cncn1 24924265 XVNHUJYIVPMTRB-UHFFFAOYSA-N 359.773 2.272 0 40 FEAB CN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 23421843 FQXWYKFGXUTFMT-UHFFFAOYSA-N 373.478 2.311 0 40 FEAB O=C(c1cnnn1-c1ccccc1Cl)N1CCN(Cc2ccco2)CC1 58098955 CESWDQROLZURTC-UHFFFAOYSA-N 371.828 2.472 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 58171020 CVJZIBYBVMPRFI-UHFFFAOYSA-N 373.409 2.345 0 40 FEAB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 113879577 XTBHPYAIZVNCNT-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB C[C@H](NC(=O)c1nc(CC(=O)NCc2ccccc2)no1)c1ccccc1 36360404 IJUKZVSTPUTLCT-AWEZNQCLSA-N 364.405 2.420 0 40 FEAB COc1ccccc1CN(C)CC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12 11290794 FBOXKBHLISGTCD-UHFFFAOYSA-N 370.409 2.212 0 40 FEAB Cc1cccc(NC(=O)CN2CCN(Cn3cc(Cl)cn3)CC2)c1C 48275906 FMOPICNDRJRQSW-UHFFFAOYSA-N 361.877 2.367 0 40 FEAB CC(C)CN1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 48325994 JFQBLTNIYZRVON-INIZCTEOSA-N 361.486 2.368 0 40 FEAB Cc1cc(C)n2nc(C(=O)NCc3ccc(Br)s3)nc2n1 29167882 HIGITDKDYIMTLE-UHFFFAOYSA-N 366.244 2.495 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 18189471 CUAKJAJAVAHDIR-OKILXGFUSA-N 368.499 2.403 0 40 FEAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(S(C)(=O)=O)cc1 12988427 GDPXGNTYOLUNTM-PXAZEXFGSA-N 373.430 2.049 0 40 FEAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 13258017 MDMVQVUJNHWKTP-MRXNPFEDSA-N 361.419 2.344 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13388659 UJRZSQNGOVNVMB-GFCCVEGCSA-N 353.421 2.097 0 40 FEAB NC(=O)Cc1ccc(NC(=O)c2ccc(-c3cccs3)[nH]c2=O)cc1 63929038 JJFTVTVYDIGCBQ-UHFFFAOYSA-N 353.403 2.384 0 40 FEAB CCOC(=O)Nc1nnc(Cc2nnc(NC(=O)OCC)s2)s1 4109095 YDLYBNBLZICZPN-UHFFFAOYSA-N 358.405 2.117 0 40 FEAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(Cl)cc1F 13778050 YGTSCBQHWVCNRT-LBPRGKRZSA-N 359.785 2.044 0 40 FEAB Cc1ccccc1OCC(=O)NC(=S)NCc1ccc(C(=O)O)cc1 20153614 JBCHDSASYVXKNJ-UHFFFAOYSA-N 358.419 2.263 0 40 FEAB O=C(OCC(=O)N1CCc2sccc2C1)c1cc2ccccc2c(=O)[nH]1 14141677 BYLPOVHLYNTKOG-UHFFFAOYSA-N 368.414 2.331 0 40 FEAB O=C1CN(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1 29018275 HUQWAIAAEDLTIK-UHFFFAOYSA-N 353.256 2.162 0 40 FEAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@@H]3C2)cc1 22585574 FBUWYWUKHYXXSO-AEFFLSMTSA-N 370.501 2.306 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 89920480 LDOBHHJNGWXQKQ-CJNGLKHVSA-N 354.454 2.431 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnccn1 5455561 JNSNEIOVENJWOS-UHFFFAOYSA-N 360.439 2.212 0 40 FEAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1 5562273 NSGULKIKEVLTKM-AWEZNQCLSA-N 361.442 2.062 0 40 FEAB C[C@@H](Oc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)NC1CCCCC1 408613859 WPIVFLCZOFGGEE-CYBMUJFWSA-N 366.483 2.344 0 40 FEAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-n2cncn2)cc1 6990246 CRYUMZLUBRWIMC-SFHVURJKSA-N 362.389 2.444 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 9156825 VTFLFHPPNPGPQV-ZDUSSCGKSA-N 359.474 2.096 0 40 FEAB COc1ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc(=O)oc2c1 15954669 VYJVBQKKHUNGKX-YCRPNKLZSA-N 371.433 2.498 0 40 FEAB biogenic CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1N1CCOCC1 7723078 JNFPFIZKXQHULA-ZDUSSCGKSA-N 367.519 2.064 0 40 FEAB O=C1[C@H](Nc2ccccc2CN2CCOCC2)CCN1CC(F)(F)F 81154315 DGLSOHSXNLUFRK-OAHLLOKOSA-N 357.376 2.094 0 40 FEAB COc1ccccc1CN1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 306140788 VEGRUDCNKWEEHH-HDMKZQKVSA-N 373.478 2.029 0 40 FEAB C[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(F)c(F)c1 16685054 QBUWMHMKZHRPAH-NSHDSACASA-N 372.375 2.011 0 40 FEAB NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 8279892 ZYSAMUKNALNXPL-AWEZNQCLSA-N 373.453 2.254 0 40 FEAB COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 8230116 DXESFCYNTAOSNO-UHFFFAOYSA-N 363.483 2.297 0 40 FEAB Cc1csc(=O)n1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8311978 HOQCAXRMSJRHMJ-AWEZNQCLSA-N 360.435 2.353 0 40 FEAB Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2C)c(C)c1 9888688 JJIXYUJVAHBNSG-UHFFFAOYSA-N 362.451 2.068 0 40 FEAB Cc1noc(C)c1CNC(=O)NCCC(=O)N1CCCc2ccccc21 71826971 LFYMABRZLLGRLQ-UHFFFAOYSA-N 356.426 2.460 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 9637911 KNXNZYCJSDIKGY-KRWDZBQOSA-N 373.416 2.186 0 40 FEAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCN(C(C)(C)C(N)=O)CC1 72308875 RPXGURFANZPGCM-HNNXBMFYSA-N 374.529 2.193 0 40 FEAB CS(=O)(=O)c1ccc([C@H]2CC(O)=Nc3c(C(=O)O)nsc32)cc1 72400663 FJTUUZYPOUJHPZ-SECBINFHSA-N 352.393 2.368 0 40 FEAB COCCn1nc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1=O 95395558 IPEICEVDZQHCPG-UHFFFAOYSA-N 371.393 2.184 0 40 FEAB CN(C)CCN(Cc1ccccc1F)S(=O)(=O)NCc1ccccc1 95467500 IWKJMEQPDGCTTR-UHFFFAOYSA-N 365.474 2.224 0 40 FEAB Cn1c(CNC(=O)CC2(Cn3cnnn3)CCCCC2)nc2ccccc21 79479373 UNBYLBOWWHHKOQ-UHFFFAOYSA-N 367.457 2.217 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 32859578 IGYKWBKZLRVYSZ-FQEVSTJZSA-N 368.389 2.449 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218458677 OVMFRLTZNCIPHT-UFYCRDLUSA-N 359.491 2.435 0 40 FEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217534575 DLFFVNIAXIOIPX-RYUDHWBXSA-N 358.460 2.299 0 40 FEAB O=C1CCCc2cc(C(=O)N3CCC[C@@H]3c3ccc(O)nn3)ccc2N1 530078101 YKSDXFJIVSQZFP-MRXNPFEDSA-N 352.394 2.434 0 40 FEAB O=C(OCc1cc(=O)n2ccsc2n1)c1cc(Br)c[nH]1 32747428 GZXAABLGVDALMX-UHFFFAOYSA-N 354.185 2.204 0 40 FEAB O=C(c1cncc(Br)c1)N1CCCN([C@@H]2CCSC2)CC1 1565522181 UVJXUDHDOFTOLG-CQSZACIVSA-N 370.316 2.498 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1F 71980252 JOHLLAWFHOWXMW-AWEZNQCLSA-N 370.808 2.217 0 40 FEAB CCC[C@H](C)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 222809678 MOTLKOUPIHEPBY-ZDUSSCGKSA-N 356.488 2.183 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3c[nH]c4ccccc34)C2)n1 225401131 ZQUMARHXGHMZCO-CYBMUJFWSA-N 351.410 2.317 0 40 FEAB O=C(COc1ccc(Cl)cc1)N[C@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 225627731 YUABPFYSWACUIN-SUMWQHHRSA-N 371.824 2.435 0 40 FEAB CN(C)C(=O)CN1CCC2(CC1)C[C@@H](NC1CCOCC1)c1ccccc12 96241457 YSJGBKGCPNLRHL-HXUWFJFHSA-N 371.525 2.322 0 40 FEAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)o1 96050126 HCSPGHQAVRRFNI-UHFFFAOYSA-N 368.481 2.292 0 40 FEAB COc1ccc(C(=O)N2CC[C@@]3(C[C@@H](N4CCCC4=O)CCO3)C2)cc1 96209684 IFWGVZZUYIKYET-OXJNMPFZSA-N 358.438 2.081 0 40 FEAB C[C@@H](CNC(=O)Nc1ccc(C2CC2)nn1)N1CCc2sccc2C1 333204205 OGJXBCACIJTHJJ-LBPRGKRZSA-N 357.483 2.984 0 40 FEAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc([C@@H]2CCCO2)n[nH]1 95474361 PQYCUCFQLGQLRN-LBPRGKRZSA-N 354.370 2.278 0 40 FEAB O=C(C1CCOCC1)N1CC2(C[C@@H](CCOCc3ccncc3)CCO2)C1 247878896 UWMSFQOTZYEMPL-KRWDZBQOSA-N 374.481 2.423 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@H](CC(=O)NCc3cccnc3)C2)o1 248089400 LEVMWOCRAZCXJB-GOSISDBHSA-N 365.437 2.443 0 40 FEAB CC1(C)COc2c(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)cccc21 585082150 PAZIZNOUPDCGNI-UHFFFAOYSA-N 356.344 2.203 0 40 FEAB CCn1cc(CC(=O)NC2(c3cccc(OC)c3F)CCOCC2)cn1 585081247 SNHGGEFFNRAESE-UHFFFAOYSA-N 361.417 2.415 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3Cc3cscn3)ccnc12 257341318 ZJVQVKFWZUUAFF-AWEZNQCLSA-N 356.455 2.225 0 40 FEAB CC(C)CN(C)S(=O)(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 538688029 FTHLCLLQBCTIIL-UHFFFAOYSA-N 363.474 2.161 0 40 FEAB Cn1cc(CN2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 257238498 HLFWLVRVKUENGT-ZDUSSCGKSA-N 370.486 2.260 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2ccno2)C1 257314922 UZEAABJMKYIYSC-CYBMUJFWSA-N 353.382 2.441 0 40 FEAB Cc1c(C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)nc(O)c2ccccc12 655123448 SHICTRRXRYINMR-JJRVBVJISA-N 356.422 2.251 0 40 FEAB CCn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)cn1 585111797 BYPWCFIXCYVSPF-MRXNPFEDSA-N 368.441 2.070 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 51443596 LTMRDVWWEDRLHU-JTQLQIEISA-N 367.243 2.286 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)c(O)c1 58201847 SFZCMQFUEIZXNT-UHFFFAOYSA-N 360.435 2.369 0 40 FEAB Cc1cc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)n2ncnc2n1 66387983 UJMITKFPFJZRNR-GFCCVEGCSA-N 367.331 2.303 0 40 FEAB CC(C)CCN1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645838 JMZPZXNUTNNGPI-MSOLQXFVSA-N 370.490 2.087 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 5251565 AHEAELLTRVORFH-UHFFFAOYSA-N 371.437 2.067 0 40 FEAB CCc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1 5449341 HXSHPOITVCVSCH-ZDUSSCGKSA-N 374.437 2.474 0 40 FEAB C[C@@H](OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 5876834 ZNOWNILSWVUJDV-PGQWDYDZSA-N 366.414 2.150 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)c1 12086731 PGZVXCTVTAGUMP-OAQYLSRUSA-N 366.417 2.492 0 40 FEAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2cnc(SC)nc2)C1 12325494 DJFACSUYCASXPD-SFHVURJKSA-N 359.451 2.331 0 40 FEAB O=C(Cc1cccs1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407153 ZYMIGSQVMGFQPZ-CQSZACIVSA-N 354.439 2.030 0 40 FEAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCc2ccccc21 15349954 KWFGWRVUGRFRGT-ZDUSSCGKSA-N 359.451 2.114 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1F 15718497 MKIDYHXEBNWCMS-UHFFFAOYSA-N 362.426 2.208 0 40 FEAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022212 DMKXXMBABNHHDX-BOLFOIPXSA-N 369.465 2.170 0 40 FEAB C[C@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@@H](C)O1 19497700 ZVFPYESHZVWJOM-CALCHBBNSA-N 359.518 2.150 0 40 FEAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 19573244 OHEARNSICJJZIA-LBPRGKRZSA-N 353.469 2.027 0 40 FEAB COc1ccccc1CN(Cc1cccnc1)C(=O)C1(O)CCN(C)CC1 19588027 SIZBGECTKMEKFG-UHFFFAOYSA-N 369.465 2.076 0 40 FEAB Cc1ccc2c(NC(=O)Cn3c(=O)oc4ccc(Cl)cc43)n[nH]c2n1 19659899 RATRAXYTENXXRC-UHFFFAOYSA-N 357.757 2.466 0 40 FEAB COc1c(C)cccc1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2C)C1 19705526 BJXURDLWLGTHSS-HNNXBMFYSA-N 355.442 2.018 0 40 FEAB NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 3429349 OZBNSWSHGSYLOM-UHFFFAOYSA-N 370.780 2.245 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)[C@H]4CCCCO4)CC3)ccc2n1 1888853004 MWDFEKOOZYAITD-MRXNPFEDSA-N 358.442 2.224 0 40 FEAB Cc1cc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n2ncnc2n1 1888876443 PAADNQFPRXLGGO-UHFFFAOYSA-N 364.457 2.044 0 40 FEAB CN(C)c1ccnc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)n1 1888897491 IYEJEYLVBCGRNI-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 9566009 JWMAUEVQFHMYHD-UHFFFAOYSA-N 372.490 2.372 0 40 FEAB O=C(COc1ccccc1)NCCNc1ccc(Nc2ccccn2)nn1 11697361 YELZZNUHKJKDEE-UHFFFAOYSA-N 364.409 2.222 0 40 FEAB COc1cc(NC(=O)CSc2ccc(NC(C)=O)nn2)cc(OC)c1 11738762 HPVMGYRXNQJVGA-UHFFFAOYSA-N 362.411 2.183 0 40 FEAB C[C@@H]1CN(c2ncccn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055772363 BYIQWMJJQUVSFQ-ALKREAHSSA-N 353.426 2.274 0 40 FEAB COc1cccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2086884682 IPDJXMSNEFELTH-MRXNPFEDSA-N 354.397 2.154 0 40 FEAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1Cc1ccccc1F 49409991 IELQWLKUCADREG-UHFFFAOYSA-N 354.366 2.396 0 40 FEAB Cc1c(C(=O)N2CCN(c3cccnc3)C(=O)C2)cnn1-c1ccccc1 606440523 MRWBPUQZGYMBGY-UHFFFAOYSA-N 361.405 2.065 0 40 FEAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SC)nnc12 33169988 NJVRRDFOGDKQNQ-LLVKDONJSA-N 359.455 2.071 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)n1 40121572 BNNNANHXEUCGRH-CQSZACIVSA-N 372.469 2.398 0 40 FEAB C[C@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N1CCOCC1 40158971 FVYCPKVKVGPOMA-NSHDSACASA-N 367.402 2.127 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)sc1C(=O)O 45774641 NAKHFGPOQLOWKE-UHFFFAOYSA-N 355.393 2.327 0 40 FEAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N1CCCC1 2717750 NWFOYXIVTSIZOM-UHFFFAOYSA-N 355.423 2.236 0 40 FEAB CC(C)[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)NC(N)=O 4778984 VRFKWRRHOFHDGE-LJLILKBBSA-N 358.316 2.481 0 40 FEAB CCCCCCOC[C@@H](O)CNC(=S)NC(=O)c1ccc(OC)cc1 4844010 IEJTXIXIZRCVIX-HNNXBMFYSA-N 368.499 2.257 0 40 FEAB COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)N(C)C 7978421 GLHONPKWUKNUCC-UHFFFAOYSA-N 354.453 2.188 0 40 FEAB COCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10368064 FYXUFQGQQSJEKH-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB COc1cccc(N2CCN(S(=O)(=O)N(C)[C@@H](C)C3CC3)C[C@H]2C)c1 89939398 USWYROPCIKYCOZ-CABCVRRESA-N 367.515 2.181 0 40 FEAB CN(C)C(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12390097 XZXHSTJJRUSDIM-UHFFFAOYSA-N 368.466 2.147 0 40 FEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCN2CCCCC2)c1 22534870 MEJILOVAFINGHL-UHFFFAOYSA-N 373.906 2.317 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 54670812 VLHSMISNEYPXOI-SWLSCSKDSA-N 364.829 2.247 0 40 FEAB COC(=O)N1CC[C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 76041725 BCAUHGWCDJIKNL-LBPRGKRZSA-N 368.817 2.001 0 40 FEAB Cc1ccc(O)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 23718225 BGQOOUDBLGHQJE-UHFFFAOYSA-N 354.406 2.387 0 40 FEAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 25392409 SPVCFCUVGUOHSD-GFCCVEGCSA-N 367.858 2.281 0 40 FEAB C[C@@H]1CN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 25413260 CBIYNIISAKDDAK-KZNAEPCWSA-N 359.514 2.265 0 40 FEAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)NCCc1ccccc1 54672228 ZXUYVWCVQLUIEK-IBGZPJMESA-N 352.434 2.163 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cc(Cl)ccc1F 35286665 PCUAJUMRNQJVCB-INIZCTEOSA-N 361.804 2.330 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2cccs2)c(OC)c1OC 3246827 YBPJTRZMOYOHQW-UHFFFAOYSA-N 365.407 2.247 0 40 FEAB Cn1cc(CN2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 107243513 ILWYDAACRFFTRI-JXFKEZNVSA-N 374.460 2.279 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)s2)c(=O)[nH]c1=O 12685882 PFYBGOYHWAAQGM-UHFFFAOYSA-N 370.862 2.301 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 27591535 OGMUBORQIKWIAA-QGZVFWFLSA-N 364.442 2.262 0 40 FEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(C)c(F)c2)CC1 22005209 ZHGCNYBGELBLQC-UHFFFAOYSA-N 366.389 2.028 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 3316566 PDENFFQEQSKPGU-KRWDZBQOSA-N 374.462 2.421 0 40 FEAB O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CCCN(C(=O)C2CC2)C1 48373398 XKWYFABPKKVYAN-SFHVURJKSA-N 370.497 2.337 0 40 FEAB CCOC(=O)N1CCC(C(=O)NCc2cc(OC)ccc2OC)CC1 12884540 GOBNMRYEBANLKN-UHFFFAOYSA-N 350.415 2.189 0 40 FEAB CCN(c1ccc(C2=NN=C(NC3CC3)SC2)cc1)S(C)(=O)=O 12983225 WKXIKJSFFHBGHK-UHFFFAOYSA-N 352.485 2.031 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)cc(C)c1C 13259498 CXPXQEACPYSVOU-UHFFFAOYSA-N 362.407 2.162 0 40 FEAB CCOc1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 14093362 CQFDCTKUHFDOJH-HXUWFJFHSA-N 367.405 2.126 0 40 FEAB COc1ccnc(NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 14141582 PZASONFBZXSKQF-UHFFFAOYSA-N 362.455 2.059 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 14519272 IHBLAAVQGKCLFP-UHFFFAOYSA-N 351.366 2.177 0 40 FEAB O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 6719310 JGYQYBHOWKHPDR-SCZZXKLOSA-N 370.805 2.219 0 40 FEAB Nc1cc(N)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 8814420 XMSSYTWXYPOZMV-UHFFFAOYSA-N 358.452 2.495 0 40 FEAB O=C(NC1CCC2(CC1)OCCO2)c1cccn(Cc2ccccc2)c1=O 68087501 PADBVHIXQIUOGS-UHFFFAOYSA-N 368.433 2.312 0 40 FEAB CCCCc1nnc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)s1 15924962 LCYCWXXPYGNKFG-UHFFFAOYSA-N 365.459 2.074 0 40 FEAB CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1C1CC1 7618160 HTJCEDQMPVDAKK-UHFFFAOYSA-N 358.423 2.481 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCCOc3ccccc3F)ccc2N1 7684991 GXEDSAAQBNJHLJ-UHFFFAOYSA-N 364.398 2.068 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 8160834 WMLLXZYMJKUVGY-OAHLLOKOSA-N 357.454 2.253 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nnsc1Cl 24512324 OUHQXEQBTYKBPV-UHFFFAOYSA-N 358.876 2.005 0 40 FEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 9501500 LWGWWVWWYXELMQ-FQEVSTJZSA-N 357.454 2.332 0 40 FEAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 9503557 BBRBWTDNKLOENF-ZDUSSCGKSA-N 353.378 2.154 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 97595598 ZNSDSVJSNVTWMP-NSHDSACASA-N 368.840 2.296 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(c2nc(-c3ccccc3)ns2)CC1 95408835 HZAHUQQZRMDWBZ-UHFFFAOYSA-N 366.512 2.455 0 40 FEAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cnn(-c2ccc(F)cc2)n1 95983610 SSHRFKMJYLZDEH-KDOFPFPSSA-N 360.389 2.258 0 40 FEAB COc1cccc(CNCCNC[C@@H](C)O)c1OCc1ccc(F)cc1 22075321 BLHCFMZHPLUBDZ-OAHLLOKOSA-N 362.445 2.473 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306129259 HYSJIQQBQXCLPN-MRXNPFEDSA-N 354.406 2.235 0 40 FEAB COC(=O)c1c(NC(=O)c2cnn(Cc3ccccc3)c2)c(C)nn1C 72251414 MBGCOCYGHGSOBQ-UHFFFAOYSA-N 353.382 2.012 0 40 FEAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218539012 GDGCIHOTFGMORB-BQFCYCMXSA-N 364.394 2.483 0 40 FEAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)NCCC1=CCCCC1 62021491 IOHDJINBMIHPBF-NRFANRHFSA-N 358.482 2.493 0 40 FEAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(C)n[nH]2)cc1OCC 72330974 CKJMDKRVDZFNHV-UHFFFAOYSA-N 361.398 2.240 0 40 FEAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217497937 YLJISRWUUWKOQD-CQSZACIVSA-N 368.455 2.197 0 40 FEAB CCc1nc(N)n(CC(=O)Nc2ccc(Br)cc2)c(=O)c1C 49410980 BZUIZVFYKJBNPW-UHFFFAOYSA-N 365.231 2.098 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)cc(C)c21 71195940 ZTDJAHCLMPGGKI-ZDUSSCGKSA-N 366.483 2.096 0 40 FEAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225610916 KKYORRMQPLVLBT-IBGZPJMESA-N 364.442 2.068 0 40 FEAB Cc1cc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nn1-c1ccccc1 570035014 KVCSNVYWVHGEKM-RZQQEMMASA-N 370.453 2.981 0 40 FEAB Cn1cc(C(=O)NCc2cnn(CC(F)(F)F)c2)c2ccccc2c1=O 572314007 HGSHXKPZIZESCP-UHFFFAOYSA-N 364.327 2.227 0 40 FEAB CN(C)CCN1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96242564 ZJTONZZLPHLCAB-UHFFFAOYSA-N 351.498 2.392 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(Cc3ccccn3)C2)C1 96226119 JBROQOXRWQAPOZ-IBGZPJMESA-N 351.410 2.145 0 40 FEAB COCC(=O)N1CCC(c2cncc(-c3cccc(C(=O)O)c3)n2)CC1 257260449 LCWKRMNRVCLUNO-UHFFFAOYSA-N 355.394 2.194 0 40 FEAB CNC(=O)CN1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257231644 GHPSQPHJPLOEDD-INIZCTEOSA-N 368.485 2.466 0 40 FEAB CC(=O)N[C@H]1CC[C@](CNC(=O)CC2CC2)(c2ccccc2)CC[C@@H]1O 257220176 DJWABRCFVPLNJW-ZJOUEHCJSA-N 358.482 2.280 0 40 FEAB CCn1cc(C(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)N2C)cn1 257236092 HASOXBDTHCSFCT-LFGUQSLTSA-N 362.518 2.379 0 40 FEAB COC(=O)CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257199639 AAFZDXYZAJPGGQ-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB Cc1nc(C(F)(F)F)ccc1NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 637230891 AKYQEVOCYGKJMP-SNVBAGLBSA-N 367.331 2.134 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)Nc2ccnn2C2CCCC2)C1 643858208 VNFWADDLOJYOMQ-CABCVRRESA-N 358.446 2.122 0 40 FEAB CC1(C)CO[C@H](c2cccc(Cl)c2)CN1CCN1C(=O)CNC1=O 661741542 WGTZGYBEZWFYPF-AWEZNQCLSA-N 351.834 2.044 0 40 FEAB C[C@@H]1C[C@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CO1 668291987 ZVCFKVYDHAKGDB-PWSUYJOCSA-N 356.216 2.287 0 40 FEAB Cc1coc(C(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)c1 1775962751 BWYSIWAYKFHUDK-HUUCEWRRSA-N 370.453 2.094 0 40 FEAB O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1nc(-c2ccc(Cl)cc2)cs1 575424367 KMNZXKXLXRQUAL-NEPJUHHUSA-N 369.855 2.159 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 846855 ULEFABREYYYPLO-UHFFFAOYSA-N 366.373 2.488 0 40 FEAB COc1c(Br)c(C(N)=O)c(Br)c(OC)c1OC 1776111130 SXJXGKDHYDMWLF-UHFFFAOYSA-N 369.009 2.336 0 40 FEAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N1CCCC1=O)CC1(CCOCC1)O2 12087034 QCHXITIFLWISBM-DOTOQJQBSA-N 372.465 2.495 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)C[C@@H]3CC(C)(C)OC3=O)cc2n1 12154068 IYJYLKBELDZMGE-TZMCWYRMSA-N 372.425 2.139 0 40 FEAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)Cn2cccnc2=O)sc1C 12228345 PCQULUXWUPIKTR-CQSZACIVSA-N 374.491 2.478 0 40 FEAB Cc1cc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)no1 12322185 PMJKSNFALJGBLX-UHFFFAOYSA-N 354.341 2.130 0 40 FEAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 12365337 SBWFJMZXXLEKQA-OAQYLSRUSA-N 365.433 2.498 0 40 FEAB COC(=O)c1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 13547814 AVGUXFOKODYWCR-RVDMUPIBSA-N 363.398 2.152 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 19211323 DGJCTXMGOZFMLD-ZDUSSCGKSA-N 371.422 2.013 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C1 3600593 UTRGKGPWIRBVAW-ZSDSOXJFSA-N 369.465 2.275 0 40 FEAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565552485 WTYWTGHEMKZSST-WKILWMFISA-N 373.497 2.397 0 40 FEAB O=C(c1ccccc1C1CC1)N1CCCn2c(nnc2Cn2ccnc2)C1 1565554687 DOEDLBNEVFWZKF-UHFFFAOYSA-N 362.437 2.446 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(Cl)c1 5251090 DWNZQHSENHVXMU-UHFFFAOYSA-N 350.733 2.463 0 40 FEAB CS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21 5329088 BEOMPIVCCDJQLP-UHFFFAOYSA-N 366.464 2.200 0 40 FEAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 5328927 VIGDNGFXLQJUHV-UHFFFAOYSA-N 358.466 2.089 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303647 SBCQMPQPLZPLGL-UHFFFAOYSA-N 351.362 2.363 0 40 FEAB Nc1nc(CSc2ncnc3[nH]cnc23)nc(Nc2ccccc2)n1 5027685 OJZFCNMZHYVZMY-UHFFFAOYSA-N 351.399 2.156 0 40 FEAB Cc1nc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)no1 30511006 LYPKIFAYOPBWNS-UHFFFAOYSA-N 372.454 2.396 0 40 FEAB COC(=O)[C@H](C)NC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40267335 DGNCXOKCJXYNRL-JTQLQIEISA-N 365.769 2.164 0 40 FEAB CCN(CC)C(=O)N1CCN(C(=O)c2nc(SC)ncc2Cl)CC1 31502589 SXHKGDSBGCJGFN-UHFFFAOYSA-N 371.894 2.072 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCOc3ccccc31)C2=O 8345855 VMSONTKQLOFPFR-WAWZGNHOSA-N 371.437 2.127 0 40 FEAB CCCc1nc2sc3c(c2c(=O)n1NC(=O)CCC(=O)O)CCCC3 2230233 UFZNWSZCQFKQIW-UHFFFAOYSA-N 363.439 2.224 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCc4ccccc43)cnc21 4104251 QROADDYESMVNDQ-UHFFFAOYSA-N 365.437 2.327 0 40 FEAB COc1ccc(NC(=O)C[C@H](NCCc2ccccc2)C(=O)O)c(OC)c1 4192525 FCOKDXCHRJGVPY-KRWDZBQOSA-N 372.421 2.318 0 40 FEAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@H](OC(C)=O)[C@H]1NC(C)=O 4531053 SBCLCISXUZOHRT-NADOGSGZSA-N 361.438 2.378 0 40 FEAB Cc1c(Nc2ccccc2C(=O)C(=O)O)c(=O)n(-c2ccccc2)n1C 4618925 WZFVVOOOOTWTRZ-UHFFFAOYSA-N 351.362 2.495 0 40 FEAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccsc2)CC1 32817003 LRLIWMRHMSGAEA-QGZVFWFLSA-N 369.490 2.445 0 40 FEAB CC(C)(C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2621797 IXYDDKVCFOIVAW-UHFFFAOYSA-N 365.433 2.397 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 6890400 CYXNHFIWBHUKTP-UHFFFAOYSA-N 369.406 2.088 0 40 FEAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc12 10274236 AOWVOBWZFJRJJR-UHFFFAOYSA-N 358.375 2.336 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(F)cc(F)c1 10493426 NMVCFPGVWAHTOF-HNNXBMFYSA-N 355.362 2.027 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1OC 8475982 CKZWUJOYSKWKAK-UHFFFAOYSA-N 368.842 2.187 0 40 FEAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C 8635320 YBNLVKICNQATIO-KSZLIROESA-N 368.481 2.028 0 40 FEAB biogenic,in-vitro Cc1ccccc1CN1CCN(CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 102843751 RHPTWVVVDFTTQB-KDURUIRLSA-N 355.482 2.245 0 40 FEAB CC(C)(CNC(=O)COc1ccccc1)CNC(=O)COc1ccccc1 2746956 FNIWEPZCAIBDJP-UHFFFAOYSA-N 370.449 2.403 0 40 FEAB CCc1ccc([C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C(C)C)cc1 22280651 VPHQRRSASOEWFU-GOSISDBHSA-N 367.453 2.206 0 40 FEAB Cc1ccc2cc(CN(Cc3cccnc3)S(C)(=O)=O)c(=O)[nH]c2c1 9487828 ZFYZOFYLAFYDTB-UHFFFAOYSA-N 357.435 2.193 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1F 103798544 COYLLHMLRBTBSN-ZZCKCESHSA-N 369.396 2.459 0 40 FEAB COc1ccccc1NC(=O)CSc1nnc(Cn2nccc2C)o1 2809674 SYYDVHYGXPUYJF-UHFFFAOYSA-N 359.411 2.362 0 40 FEAB COC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2CC(=O)NC(C)C 12396323 WMZYFTYFUOEGGF-UHFFFAOYSA-N 356.426 2.497 0 40 FEAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)c1ccn(C)n1)C3 100215329 ATABJLXFIBRORR-UHFFFAOYSA-N 374.404 2.300 0 40 FEAB NC(=O)CSc1ccccc1C(=O)Oc1ccc2c(c1)CCC(=O)N2 42887190 PBYOQGRTLNHYFS-UHFFFAOYSA-N 356.403 2.368 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1 102082641 TVMZMPNEKFCSHB-CDSWZMAWSA-N 356.809 2.332 0 40 FEAB O=C(NC1CCN(C[C@@H](O)COCc2ccco2)CC1)c1ccccc1 25304935 SBVISKRSLRPHEO-GOSISDBHSA-N 358.438 2.052 0 40 FEAB C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 25747527 GDWGZXJBYXXCSW-CQSZACIVSA-N 350.422 2.232 0 40 FEAB CN1CCC[C@@H](N(C)CC(=O)N[C@H](c2ccccc2)c2nccs2)C1 108144649 WOIZCILJJSARIQ-SJLPKXTDSA-N 358.511 2.375 0 40 FEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 58182231 BQWGZCZLDBNLIN-LJQANCHMSA-N 369.446 2.100 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3cccs3)noc2=O)c1 58191329 VKLPHCSWGXDKJU-UHFFFAOYSA-N 358.379 2.162 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)oc1C 44975413 OUVWBODYRHVUPB-UHFFFAOYSA-N 371.393 2.176 0 40 FEAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@@H]4C 2211861 OLJFHVXWQAEZJP-VHSXEESVSA-N 359.455 2.280 0 40 FEAB Nc1cc(N)nc(SCC(=O)N2CCS[C@H]2c2ccccc2F)n1 8488087 FTUHOJMLNZETQF-AWEZNQCLSA-N 365.459 2.146 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)CSc1nnc(N)s1 3358624 SQSSVKLQRBTFDB-UHFFFAOYSA-N 352.441 2.011 0 40 FEAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2ccccc2)CC1 12756500 WWWZXWOHEZLAPA-MRXNPFEDSA-N 356.426 2.158 0 40 FEAB Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 22540079 WVWKPNCIILOWKO-HOTGVXAUSA-N 352.500 2.461 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@H](CC(=O)O)c2ccccc2)C1=O 13428057 WMMAXMHXCNUBRJ-UKRRQHHQSA-N 368.389 2.133 0 40 FEAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(CCn2cccn2)CC1 62021980 WWXOZVIKFCOIFH-UHFFFAOYSA-N 352.360 2.360 0 40 FEAB O=C(O)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 4324879 YHTRXKRISXDZFR-UHFFFAOYSA-N 368.389 2.072 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 408589764 FKNPOQPNSYNDBT-MHWRWJLKSA-N 352.346 2.243 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)s1 8705801 XSXCPISETVNHOL-UHFFFAOYSA-N 353.421 2.256 0 40 FEAB O=C1C(=O)N(CN2CCc3sccc3C2)C(=O)N1Cc1ccccc1 14139611 QWQRLTMPGSDQBO-UHFFFAOYSA-N 355.419 2.055 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccc(O)cc3)CC2)c1 6831029 ADRJXLCZIQLZRC-UHFFFAOYSA-N 367.449 2.088 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](C)CN1CCCCC1 59924016 LTSXETRRQUFSBT-HNNXBMFYSA-N 352.500 2.332 0 40 FEAB CCc1nn(C)c(OC)c1CNC(=O)N1CCN(c2cccs2)CC1 93149511 UXLVGEOZIMORNF-UHFFFAOYSA-N 363.487 2.084 0 40 FEAB O=C(c1cc[nH]c(=O)c1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 93243556 FNTPSTKDJDOTMC-KGLIPLIRSA-N 352.312 2.342 0 40 FEAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 8073534 ASARMYCRJTYFLC-MVGZEHJDSA-N 371.462 2.159 0 40 FEAB Cc1ccc(C2=CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)cc1 9726821 JECUMCKUKUDAOF-UHFFFAOYSA-N 360.417 2.416 0 40 FEAB CC(C)CN1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 79736942 PGCKHPVCHUNFDL-UHFFFAOYSA-N 372.513 2.292 0 40 FEAB Cc1nc(-c2ccc(C)c(NC(=O)CCNC(=O)c3ccco3)c2)n[nH]1 75093846 WRWOWXFJIMOMQF-UHFFFAOYSA-N 353.382 2.440 0 40 FEAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 408628046 PVZKOPBEIVLLJR-UHFFFAOYSA-N 368.890 2.232 0 40 FEAB COc1cn(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1=O 61718290 IQPGZMBZJYNLKW-UHFFFAOYSA-N 361.829 2.010 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)c2cc3ccccc3s2)CC1 124788814 GLBKTGNWKSTYQI-UHFFFAOYSA-N 352.481 2.303 0 40 FEAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cn(C)nc1C1CC1)CC2 521135172 YBWRMODZVUXFCZ-UHFFFAOYSA-N 370.453 2.312 0 40 FEAB Cc1ccc(OCCCCNC(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cc1 555757276 FQIXLWXEACCYMP-NVXWUHKLSA-N 364.442 2.333 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 71286851 RHMQHAULPGDABA-UHFFFAOYSA-N 374.784 2.317 0 40 FEAB COc1ccccc1NC(=O)[C@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cccnc1 36701713 OVFQWIJLQXAHAB-DQYPLSBCSA-N 364.409 2.340 0 40 FEAB CCc1c(C)nc(N)n2c(SCC(=O)N3CCc4ccccc43)nnc12 35315147 OQDKVLMQCLHGIS-UHFFFAOYSA-N 368.466 2.259 0 40 FEAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)Nc1ccccc1 77265099 FMBCXEFOFCZZKY-OAGGEKHMSA-N 369.412 2.104 0 40 FEAB biogenic,in-vitro CC(=O)Nc1ccc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)cc1 49031241 OGVAFBJJAYMMMP-KRWDZBQOSA-N 373.478 2.198 0 40 FEAB COc1cc(C)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(=O)c1 225615973 XNASHHSPPIDVOZ-UHFFFAOYSA-N 370.384 2.125 0 40 FEAB C[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N1CCN(C)CC1 134263127 MWUKGMLOHLDCQD-NSHDSACASA-N 365.890 2.433 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc2n[nH]cc12 581867243 JDGRGWWGVDWWGJ-KRWDZBQOSA-N 362.455 2.304 0 40 FEAB Cc1cc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)ccn1 575947809 SKIWFCIPPZWCQB-UHFFFAOYSA-N 355.413 2.446 0 40 FEAB Cc1cc(C)n2c(CN[C@@H](c3nccn3C)C3CCOCC3)cnc2n1 581839852 BGTGGGFEGWTSOY-QGZVFWFLSA-N 354.458 2.337 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)CN1c1ncccn1 96051816 KUYGGPDDDRFDPC-KRWDZBQOSA-N 367.453 2.019 0 40 FEAB COc1ccc(CN2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)cc1 96062359 TWAQGVYWUZDTHJ-NRFANRHFSA-N 370.497 2.153 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240899 FCEQQGHHBPWERX-LJQANCHMSA-N 370.493 2.415 0 40 FEAB CC[C@@H](C)N1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000184 USHBZQVLTMWZMG-UHOFOFEASA-N 370.902 2.261 0 40 FEAB O=C1CS[C@H](c2ccc(O)cc2)c2c(O)nn(C3CCOCC3)c2N1 96116969 UBOZERLSOZBEGH-OAHLLOKOSA-N 361.423 2.421 0 40 FEAB COc1ncccc1CN1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108953 CYFXOXBHUVKHPR-UYAOXDASSA-N 355.438 2.150 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)cn1 248065434 DXPGMIXGIBVDJO-SFHVURJKSA-N 353.422 2.375 0 40 FEAB N[C@]1(CO)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495564 GJRVVXVSWMWEFA-BZUAXINKSA-N 355.818 2.109 0 40 FEAB O=C(c1cscn1)N1Cc2cncn2[C@H](COc2ncccc2F)C1 247809152 DIBCXDPUXVHCEL-LBPRGKRZSA-N 359.386 2.150 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 245333710 ABCMHGZYYZULNK-AYMQEEERSA-N 366.483 2.155 0 40 FEAB Cc1cccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)c1 248111913 HOHJDAUGNRCTOI-GOSISDBHSA-N 368.481 2.140 0 40 FEAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 248118128 MFGREFXBVQGPRC-XLIONFOSSA-N 357.454 2.120 0 40 FEAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3ccccc3)ccnc12 257282429 OTTDAKRPCDUDLL-MRXNPFEDSA-N 363.421 2.456 0 40 FEAB CN(C(=O)c1cc2cc(F)ccc2n1C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257243091 IFKWRZWBDIAIIJ-ZHALLVOQSA-N 359.445 2.377 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccn(C)n2)CC1 257292840 QNDYJLNDBAZIKQ-BXWFABGCSA-N 369.469 2.229 0 40 FEAB Cn1cc(C(=O)N2CCC(c3c(C(N)=O)sc4ncccc34)CC2)cn1 257216595 CVGIDNVNONWMCS-UHFFFAOYSA-N 369.450 2.149 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257334124 YEQPPWNLDUOEMN-INIZCTEOSA-N 356.426 2.155 0 40 FEAB Cc1cc(N)cc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 257268692 MMUQNWREZYNWMI-IBGZPJMESA-N 351.406 2.348 0 40 FEAB O=C(CCc1cccc(F)c1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257229194 FXBXDYLGUJYMLF-KRWDZBQOSA-N 359.401 2.114 0 40 FEAB CN1CCC(N2CCC(CCN(C)c3cccc(C(=O)O)n3)CC2)CC1 263444880 YGEQNZVZARJFIJ-UHFFFAOYSA-N 360.502 2.412 0 40 FEAB COCc1cccc(CC(=O)N2CCc3c(ncn3C)C23CCOCC3)c1 1615592314 XIFXMFUSZCDFHN-UHFFFAOYSA-N 369.465 2.200 0 40 FEAB CCn1ncc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1C 630687771 YTOKEQHERWHDQS-UHFFFAOYSA-N 358.417 2.339 0 40 FEAB COc1ccc(CCC(=O)NCC2(OCCO)CCSCC2)cc1 828765356 JJRNBSAQDKPRJO-UHFFFAOYSA-N 353.484 2.019 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)c1cnc2sccn2c1=O 46550646 KHWTVZZTQPBJFN-UHFFFAOYSA-N 367.434 2.234 0 40 FEAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCN1CCOC1=O 55259729 PLUJUJQLYIUZTG-NSHDSACASA-N 355.232 2.339 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)c1c(Cl)c2ccccc2n1C 58203196 NUQDFBXIUXHCSA-UHFFFAOYSA-N 371.890 2.233 0 40 FEAB CCCNC(=O)CNC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 83157703 RBBWNENTALSVLE-NRFANRHFSA-N 372.513 2.210 0 40 FEAB COC(=O)C[C@@H](c1c(O)n(C)c(C)cc1=O)c1coc2ccccc2c1=O 1547206389 SZUMVLYJLXYGQS-CYBMUJFWSA-N 369.373 2.201 0 40 FEAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccc(F)c1 12084773 YCPCOPQHCXWELX-CQSZACIVSA-N 357.429 2.399 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 12085428 JTHAFZWQKJSCEL-HXUWFJFHSA-N 357.454 2.366 0 40 FEAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CCN5CCCC5)nc4c23)C1 12145252 UPSOATWTRYHABU-GFCCVEGCSA-N 357.483 2.326 0 40 FEAB COCCNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156880 UWTILDFDXPSVNZ-MRXNPFEDSA-N 364.417 2.268 0 40 FEAB CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 13581138 RRWWYWUPDXKWRX-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(=O)[nH]c2ccccc12 18006991 MLHKXQZAYYWGOX-UHFFFAOYSA-N 353.353 2.378 0 40 FEAB O=C(c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1)N1CCC(O)CC1 19339065 VDLQWBZIBGQLKI-MRXNPFEDSA-N 370.453 2.046 0 40 FEAB CCN(Cc1ccco1)C(=O)Cn1nc2n(CC)c3ccccc3n2c1=O 19524276 JDJVFIZQLMFJHA-UHFFFAOYSA-N 367.409 2.112 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(C)n1C(C)C 161635924 MOJLHKBUWYQDTQ-UHFFFAOYSA-N 369.469 2.142 0 40 FEAB CCOc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(C)n1 11613213 BBWRYHOUGLQSIL-UHFFFAOYSA-N 354.454 2.465 0 40 FEAB Cc1nccn1CC1(O)CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 12221654 XAGJVCFCPDUVOG-CQSZACIVSA-N 355.438 2.182 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)c1 2037913151 WFSTXIGBKXGBRJ-HXUWFJFHSA-N 357.454 2.241 0 40 FEAB C[C@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1ccc(F)cc1F 2086992604 ZRIVBMYQVFXDDC-LBPRGKRZSA-N 358.396 2.352 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 4585965 MZIAHBFLDHKTGS-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1cccc(C(=O)O)c1)C2=O 4726774 FYJVAFRVYTWGRN-QGZVFWFLSA-N 363.373 2.382 0 40 FEAB COC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O 9341282 MXDWSTAUABJLGX-NSHDSACASA-N 351.668 2.011 0 40 FEAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)c(OC)c1 10256078 DTJYQGOZGWWPAC-KRWDZBQOSA-N 368.433 2.340 0 40 FEAB C[C@@H]1CN(C(=O)Cn2c([C@H]3CCCNC3)cc3cccnc32)C[C@@H](C)O1 19497265 UMFXJWAIKOWEPY-INMHGKMJSA-N 356.470 2.139 0 40 FEAB COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)nc2ccccn2c1=O 96116735 SLZNMBKRXFMOLK-NSHDSACASA-N 374.780 2.454 0 40 FEAB CN(CCOc1cccc(Cl)c1)C(=O)c1cnc2ccccn2c1=O 40040493 PNVAYXBPNRFORZ-UHFFFAOYSA-N 357.797 2.499 0 40 FEAB CSc1nc(C)c(CCC(=O)NCCC(=O)Nc2ccccn2)c(C)n1 40154436 KAGJWHGTBZHDMD-UHFFFAOYSA-N 373.482 2.288 0 40 FEAB CCOc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1OC 40118912 IAVSFJATAQJDDQ-UHFFFAOYSA-N 362.470 2.278 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1OC 45797175 IKCSXXHHGNDTQU-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1N 11518445 FGCHPAWOGINGIW-UHFFFAOYSA-N 354.435 2.458 0 40 FEAB O=S1(=O)C[C@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2Cc1ccccc1 3092913 ZTEPBBMFOCBWCT-ROUUACIJSA-N 372.515 2.455 0 40 FEAB COc1cc(OC)c(C2=CCN(C(=O)c3cnccn3)CC2)c(OC)c1 11918547 YBUURYVWQWVKGD-UHFFFAOYSA-N 355.394 2.432 0 40 FEAB C[C@@H](OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N(C)c1ccccc1 32928534 VUSCGNNQIVMXSQ-OAHLLOKOSA-N 368.437 2.288 0 40 FEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCCCO2 25243266 APKLAAUAJUJPMC-UHFFFAOYSA-N 370.405 2.476 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 9913943 FOZONMYSWOTGKQ-UHFFFAOYSA-N 366.373 2.406 0 40 FEAB COc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1OCC(N)=O 53514802 ORLAKSKVIMIWDM-UHFFFAOYSA-N 357.341 2.432 0 40 FEAB Cc1ccc(CCC2CCN(CC(=O)N(C)CC(=O)NC3CC3)CC2)cc1 12332493 NZLRAHXLTSCQPA-UHFFFAOYSA-N 371.525 2.377 0 40 FEAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCCCC1)C(=O)O 61721393 QFAFLLHALNTDQQ-LLVKDONJSA-N 354.428 2.050 0 40 FEAB CC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1 24601232 LQTVCNQVVWVHDY-UHFFFAOYSA-N 371.437 2.373 0 40 FEAB Cc1nc(NC2CCN(S(C)(=O)=O)CC2)c2c3c(sc2n1)CCC3 24989574 ULMADIUPPRZNIN-UHFFFAOYSA-N 366.512 2.324 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc2c(c1)CCO2 25051891 DNIUCNKIWLHFJJ-UHFFFAOYSA-N 372.384 2.400 0 40 FEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccco2)[nH]n1 23188609 OZGZZANRWFUBKV-UHFFFAOYSA-N 359.411 2.211 0 40 FEAB O=C(NCCc1c(F)cccc1F)N1CCN(Cc2cscn2)CC1 56729655 AMOZXNNMASCDOH-UHFFFAOYSA-N 366.437 2.491 0 40 FEAB CC(C)(C)NC(=O)COC(=O)c1ccccc1I 3391284 RKWRPYXDFRFPMJ-UHFFFAOYSA-N 361.179 2.363 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccc(C)cc1 45009226 PJIFBIANERRYGK-YOEHRIQHSA-N 360.454 2.410 0 40 FEAB O=C(NC1CCN(C(=O)Cc2cn3ccsc3n2)CC1)c1ccccc1 10556477 KNOLSFFZBTXOJR-UHFFFAOYSA-N 368.462 2.359 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1c[nH]c2ccccc12 3300504 UGVNOQTZKFDJTG-UHFFFAOYSA-N 354.337 2.463 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CN2CCOC2=O)c1 48276561 XYAKYNBGJSNFQF-CYBMUJFWSA-N 359.426 2.272 0 40 FEAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 12814285 GJPRCLNPCTVSFK-LJQANCHMSA-N 361.417 2.432 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 3400352 BBFVLRLMZWIKNN-LLVKDONJSA-N 359.455 2.471 0 40 FEAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 12902662 APAQKJYSKPGQJL-SFHVURJKSA-N 371.412 2.196 0 40 FEAB CCOC(=O)[C@H](Sc1nnc(-c2c(C)nc3ccccn23)o1)C(C)=O 12966562 RHQMOJXXCSOKQL-CYBMUJFWSA-N 360.395 2.306 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1ccc(NC(C)=O)cc1 3620376 ZPAYOUYBFILIPK-UHFFFAOYSA-N 356.378 2.127 0 40 FEAB CC(C)C[C@@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 4221221 QODFPLJTZFAZCK-MRXNPFEDSA-N 372.421 2.408 0 40 FEAB O=C(Nc1nccs1)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13730896 ONKYAEHOWHFPMZ-OAHLLOKOSA-N 373.434 2.160 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCc2cccs2)c1C 14018768 ZUZWFFHVDXUQFY-NSHDSACASA-N 364.423 2.341 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1F 6497772 SARXRUBVXFPWNF-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(O)c1 7165588 NVISOUQWTMHVPS-GFCCVEGCSA-N 354.362 2.313 0 40 FEAB CCOc1ccc(OCCCC(=O)N2CCN(c3ncccn3)CC2)cc1 7779078 OSKJUNNJRGPAEQ-UHFFFAOYSA-N 370.453 2.383 0 40 FEAB COc1cccc(NC(=O)N[C@@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002652 WSNWGTJDQFUQPF-MRXNPFEDSA-N 371.441 2.179 0 40 FEAB CN1CCC(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 21441807 RXAWVGAWOKXHEO-UHFFFAOYSA-N 373.478 2.311 0 40 FEAB COc1cc(NC(=O)CCN2C(=O)COc3ccccc32)cc(OC)c1 8060892 AYJKKYSXGAVVTL-UHFFFAOYSA-N 356.378 2.458 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O 8207131 ZRVBFFZMXRCQLQ-QGZVFWFLSA-N 373.453 2.434 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9503943 NLPILLCAYRQRTC-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB CN(C)[C@H](C(=O)OCC(=O)NCc1ccco1)c1c(F)cccc1F 95455821 VZKGQBPXDSSWAO-INIZCTEOSA-N 352.337 2.020 0 40 FEAB CCS(=O)(=O)N1CC[C@@]2(CN(Cc3ccccc3)c3cccnc32)C1 306123127 AFFQKMZDZMDKLT-LJQANCHMSA-N 357.479 2.395 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1 22531509 MSIRXKOAEJZLBN-MRXNPFEDSA-N 361.467 2.297 0 40 FEAB CCc1ccc(CC)c(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)c1 548755226 UPPOGUBFCAFWPH-RBUKOAKNSA-N 370.453 2.082 0 40 FEAB CC(C)n1ncc2cc(C(=O)N[C@@]3(CO)COc4ccccc4C3)cnc21 529820479 QTMJIAZSZCQRDR-FQEVSTJZSA-N 366.421 2.108 0 40 FEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2cnccn2)CC1 72348246 HVYDUCVWPXPCKL-UHFFFAOYSA-N 361.405 2.136 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc2cc[nH]c12)N1CCCC1 123373444 HMNGEZXMWNGMQW-INIZCTEOSA-N 355.438 2.412 0 40 FEAB CC[C@@]1(c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)CCC(=O)NC1=O 71281505 WVPFXTRAQOLAMI-MDOVXXIYSA-N 372.421 2.066 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218429004 CEIGEEVEAUKEIG-ZOBUZTSGSA-N 366.822 2.343 0 40 FEAB CC(C)(OC(=O)COCC1CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 77286223 CJEDNIAVNFONLO-UHFFFAOYSA-N 354.424 2.021 0 40 FEAB in-vitro COc1cccc([C@H](CC(=O)O)NC(=O)c2cnc3c(c2)c(C)nn3C)c1 568479890 VWXFUHPLLGZXJP-INIZCTEOSA-N 368.393 2.231 0 40 FEAB O=C(CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NC1CCCCC1 41253823 SHKHRPXZZCJTHX-UHFFFAOYSA-N 369.421 2.478 0 40 FEAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 40122757 MMTMLZYTZGQPQC-UHFFFAOYSA-N 362.363 2.429 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 223291422 NWQUADCDQZHOIY-DHZHZOJOSA-N 358.419 2.449 0 40 FEAB CCCCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(CC)CC)c2=O)cc1 222675742 QGFASWTVVZUNOF-UHFFFAOYSA-N 373.453 2.408 0 40 FEAB COc1cccc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)n1 96112158 AGPPDDDNGFLSRD-HIFRSBDPSA-N 357.389 2.101 0 40 FEAB biogenic,in-vitro CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccccc1 96519937 LONMSSTWYRDACA-BDAKNGLRSA-N 360.600 2.092 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333302172 QGEFGPVOVNMMCH-XIEZEKGWSA-N 356.397 2.307 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3cccnc3)C[C@H]2C(=O)O)o1 96198764 MHLKDYCYXXXFBB-CVEARBPZSA-N 357.410 2.173 0 40 FEAB O=C(NCc1nnc2ccccn12)c1c[nH]c2ccc(Cl)cc2c1=O 95473533 HEXTVUXIRGNSLS-UHFFFAOYSA-N 353.769 2.154 0 40 FEAB CN(Cc1ccc(C(N)=O)cc1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619227 ZDJWVRUCWYZOOM-PKOBYXMFSA-N 355.486 2.034 0 40 FEAB Cn1ccnc1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 604383251 QCNWFZFUUPDGMP-IRFCIJBXSA-N 368.481 2.013 0 40 FEAB biogenic,in-vitro CCCCc1nc(CN2CCO[C@H](c3nccc(CN(C)C)n3)C2)c[nH]1 257213317 CHAYVBLPAWHEPI-KRWDZBQOSA-N 358.490 2.177 0 40 FEAB CCc1cc(=O)n2[nH]c(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)nc2n1 622993301 ILTQGWLGVGVFDC-QWHCGFSZSA-N 357.801 2.376 0 40 FEAB COC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)on1 590874692 CCEOETRHDDOXOG-CQSZACIVSA-N 357.410 2.055 0 40 FEAB O=C(c1ccc2oc(O)nc2c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 672871519 SQBNQFCGWMXDHL-GFCCVEGCSA-N 353.382 2.091 0 40 FEAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cc(O)nc(O)n1 390828788 UJGIKOAWYXFIPF-UHFFFAOYSA-N 355.379 2.109 0 40 FEAB Cc1ccc(C[C@]2(CO)CN(Cc3cccc(C(=O)O)c3)CCO2)cc1 585277637 NXIWPWZFRNKYEH-OAQYLSRUSA-N 355.434 2.499 0 40 FEAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 585281831 BTWJCJWAHBMXQJ-ROUUACIJSA-N 355.862 2.004 0 40 FEAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3ccnc(C)c3)CCO2)cc1 585277256 LLVLOVWCCRNOEU-OAQYLSRUSA-N 354.450 2.074 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCOCC2)C3)c1 585104159 MCHNUCPTFOPLET-IBGZPJMESA-N 358.482 2.339 0 40 FEAB O=C(N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1)c1ccc(F)cc1 685942343 OSQWMSFUZTZFNB-XPKDYRNWSA-N 358.373 2.129 0 40 FEAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 69813146 HTAARSOOJKZECV-YDBLSZJJSA-N 364.423 2.339 0 40 FEAB Cc1nonc1C(=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12118531 OHBWKXQIGVWMNR-CQSZACIVSA-N 350.382 2.250 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199467 XENWWOWMCCWBBP-UHFFFAOYSA-N 358.419 2.161 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1OCOc2ccccc21 12203493 ZJAQRNSVSRPVCV-GOSISDBHSA-N 368.389 2.205 0 40 FEAB CCc1cc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)no1 12276621 YKWDBFGDRXNXIR-UHFFFAOYSA-N 369.381 2.407 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccc(OC)cc1 14032578 QKMRJWIXTZHFGW-CQSZACIVSA-N 359.451 2.168 0 40 FEAB CCN(CC)c1nc([C@@H]2CC(=O)N(c3ccccc3OC)C2)cc(=O)[nH]1 19526509 FRJREMSBOVFCQL-CYBMUJFWSA-N 356.426 2.145 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2c(C)c(=O)nc3n2CCC3)C1 19554836 LWWKDBWXMDKMPT-CQSZACIVSA-N 356.426 2.123 0 40 FEAB COCC(=O)N1CC[C@H](c2cc(-c3ccc(OC)cc3)nc(N(C)C)n2)C1 19585113 JKZYRUJFOKJKAI-HNNXBMFYSA-N 370.453 2.181 0 40 FEAB Cc1c(CN2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C 19692590 PTEOTFOUZUIODX-LJQANCHMSA-N 350.426 2.154 0 40 FEAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 635016331 LYPMPHRTOCPXIM-CQSZACIVSA-N 367.243 2.070 0 40 FEAB COc1ncccc1C(=O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888876205 GVMPXEQYIZGKEO-BFUOFWGJSA-N 372.400 2.341 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)NC5CCCC5)C[C@H]4C3)n1)CCC2 1888876418 IASZJEJEBKRBIP-HUUCEWRRSA-N 355.486 2.294 0 40 FEAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(CCn2ccnn2)C1 1776000767 JAIWGEWUTKFPMF-CYBMUJFWSA-N 355.364 2.483 0 40 FEAB O=C(Nc1cccnc1)[C@H]1CCO[C@H]2CCN(Cc3cccnc3)C[C@@H]21 1565539242 DQVYHAHQWIXZRT-OTWHNJEPSA-N 352.438 2.342 0 40 FEAB O=C1CO[C@@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)OCC1=O 1570007656 SYTZTCVUPWSNLO-UAFMIMERSA-N 354.358 2.353 0 40 FEAB biogenic CCn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)c(C)n23)n(C)c1=O 4250844 WUQLBAGZWVYNBD-UHFFFAOYSA-N 371.828 2.429 0 40 FEAB CCN(CC)c1ccc([C@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1 4625858 SZAQZCQNBDHKDQ-KNBMTAEXSA-N 373.453 2.190 0 40 FEAB O=C(Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O)c1ccc(F)cc1 8588348 ANAQIABUXXVTHG-UHFFFAOYSA-N 360.291 2.299 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)C1 2055747821 XOVGGZFIRNVLMO-GOSISDBHSA-N 361.442 2.259 0 40 FEAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C)CC2)[C@H]3CCC1 19359371 UWMPKFYTOZOTPE-FQEVSTJZSA-N 366.509 2.417 0 40 FEAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(COc2cccnc2)C1 1775969221 COJVBAUTSNZFGL-UHFFFAOYSA-N 353.422 2.069 0 40 FEAB O=C(c1ccccc1F)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968231 UCCVYKAUTHJQSM-UHFFFAOYSA-N 355.413 2.424 0 40 FEAB O=C(Cc1ccc(Cl)cc1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003656 BGQPWODSTIWVJT-UHFFFAOYSA-N 370.902 2.203 0 40 FEAB CN(C)c1cc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2298187904 UHNRZUOPJOWSEQ-ZDUSSCGKSA-N 353.417 2.017 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1 32963805 DBCCORLYBQETPN-QGZVFWFLSA-N 364.442 2.445 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](O)c1cccc(Cl)c1 40154370 SAAGTPBYFUPUME-OAHLLOKOSA-N 359.875 2.237 0 40 FEAB COC(=O)c1cccc(OCCN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 60086070 GUYLRJBSDGZFDJ-FQEVSTJZSA-N 368.389 2.319 0 40 FEAB O[C@@H]1CCCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)C1 1347372 YAOWEKREWGANJY-SNVBAGLBSA-N 362.796 2.023 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 6817989 RNKFERLREQPLOA-SNVBAGLBSA-N 366.468 2.273 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC1CCCC1 32910789 ANAXQNWLHWUAOQ-LLVKDONJSA-N 352.818 2.060 0 40 FEAB O=C(CCNC(=O)c1ccncc1)OCC(=O)c1ccc(Cl)s1 32922130 LPWZSSVIOMOMJQ-UHFFFAOYSA-N 352.799 2.343 0 40 FEAB COC(=O)c1sc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)nc1C 8327752 AMANKMLKNNCXHW-UHFFFAOYSA-N 372.406 2.360 0 40 FEAB O=C1C[C@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@@H]2CO[C@@H]1O2 101624640 NIKGNGJPFJMWDQ-CWRNSKLLSA-N 354.391 2.207 0 40 FEAB CCCNC(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325485 AFRAPJCUPLTSCE-OAHLLOKOSA-N 361.467 2.358 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2 22257181 QJNQYPWQWSSLMJ-LBPRGKRZSA-N 366.373 2.152 0 40 FEAB COCCn1nc(C(=O)NCCc2cccc(Cl)c2Cl)ccc1=O 53964821 GGECKFCMDMALFB-UHFFFAOYSA-N 370.236 2.169 0 40 FEAB CCN(CC)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 23403708 VKWGKWWLAFFXCJ-AWEZNQCLSA-N 356.879 2.339 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105129523 IPAQRZCTTCWFCJ-GRDNDAEWSA-N 364.467 2.082 0 40 FEAB Cc1cccc(CN2CC[C@]3(c4ccccc4)CN(CCO)C[C@H]3C2)n1 107260227 FMBJSWHIPNBKLB-IFMALSPDSA-N 351.494 2.458 0 40 FEAB O=C(CCN1CCN(CCOc2ccc(Cl)cc2)CC1)NC1CC1 26904851 MBGCMMIGTTZORK-UHFFFAOYSA-N 351.878 2.005 0 40 FEAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 102296922 ALVNDAZBJWVXBR-GHMZBOCLSA-N 350.444 2.165 0 40 FEAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc2c(c1)OCCCO2 10277086 IAZDDLAJGPFSGD-UHFFFAOYSA-N 373.390 2.365 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)nn1)OCC 58264654 FKQJLOHMSMZICW-NSHDSACASA-N 368.384 2.446 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 48273088 VGEDHZBDMSTFJR-OAHLLOKOSA-N 366.421 2.301 0 40 FEAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 3612077 XRKGNWQDXYGBGH-OAHLLOKOSA-N 374.462 2.199 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078958 XUIWVCFZTBMYSG-ZVGUJKQYSA-N 369.465 2.161 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 4308896 UNYPAELSCJNCTH-VLIAUNLRSA-N 355.438 2.072 0 40 FEAB COCc1c(C(=O)OCn2nnc3ccccc3c2=O)oc2ccccc12 5203200 PPECFKKYCILQAO-UHFFFAOYSA-N 365.345 2.499 0 40 FEAB CCC(=O)N1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306144995 ZUHLIUUEMMVCFP-FQEVSTJZSA-N 352.438 2.499 0 40 FEAB CNC(=O)CN(C)c1nc(CN2CCCCC2)nc2sc3c(c12)CCC3 8745220 ZCKFEWJEADVSMW-UHFFFAOYSA-N 373.526 2.348 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8771941 XDQZBXAENXDWFM-ZIAGYGMSSA-N 358.442 2.240 0 40 FEAB CCc1ccc([C@@H](CNS(=O)(=O)c2c(C)noc2C)N(C)C)cc1 14159660 XLYNYWXRWMLZJL-MRXNPFEDSA-N 351.472 2.435 0 40 FEAB CCn1cc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cn1 6637145 IUXJZYVSERPECX-QGZVFWFLSA-N 363.425 2.100 0 40 FEAB COC(=O)Nc1nc2cc(S(=O)(=O)N3CCCCCC3)ccc2[nH]1 5728240 LKUNETAPAFUERN-UHFFFAOYSA-N 352.416 2.306 0 40 FEAB COC(=O)CSCc1nc2ccccc2nc1CSCC(=O)OC 5719880 FVKCSLHSQZTZAZ-UHFFFAOYSA-N 366.464 2.442 0 40 FEAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1nnc(C(=O)OC)c1C(=O)OC 4969626 VVUVBOQLVKSRGN-ZDUSSCGKSA-N 374.397 2.058 0 40 FEAB C[C@@H](OC(=O)CCc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7455217 ZYHNPGADDGGOPQ-GFCCVEGCSA-N 358.369 2.428 0 40 FEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCC2)c(=O)[nH]c1=O 7795873 CFSPXTWGLWHTKN-UHFFFAOYSA-N 364.490 2.488 0 40 FEAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cccc(C(=O)N2CCCC2)n1 81290941 KVEGYODPQIYPTH-QGZVFWFLSA-N 370.497 2.312 0 40 FEAB CNS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3c(OC)n2)c1 69351623 WLGNSPXKMUTZSJ-UHFFFAOYSA-N 371.418 2.404 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2ccccc2-n2cnnn2)cc1C 8395622 PVFJDEIUDKLQKO-UHFFFAOYSA-N 357.395 2.461 0 40 FEAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1F 78681568 WOSFOJROENYXIM-DTWKUNHWSA-N 366.252 2.482 0 40 FEAB COc1ccc(CN(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC 97011556 LZFPXERAYWDPMJ-KRWDZBQOSA-N 368.433 2.463 0 40 FEAB CN(CC[C@@H]1CCCCN1C)C(=O)NCc1ccnc(-n2cccn2)c1 73625699 VLFBMYJBSOQHLQ-KRWDZBQOSA-N 356.474 2.283 0 40 FEAB O=S1(=O)CC[C@@H](N(Cc2cc(Cl)c3c(c2)OCCO3)C2CC2)C1 95957569 UUUROYVSNLCCDF-CYBMUJFWSA-N 357.859 2.263 0 40 FEAB COCCN1CC[C@]2(CN(C3CCC3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134265 NHGWILRXXQRKOW-FXAWDEMLSA-N 360.502 2.281 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 30130274 HWXSQGZFJMVFAI-UHFFFAOYSA-N 352.387 2.006 0 40 FEAB COC(=O)c1ccccc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655741 GHDIXAHATXBONE-UHFFFAOYSA-N 374.343 2.462 0 40 FEAB COC(=O)C1CCN(C(=O)COc2ccc(F)cc2Br)CC1 48331532 AEOMOPLLOCGSBX-UHFFFAOYSA-N 374.206 2.379 0 40 FEAB COCCCn1ccc2nc3ncnn3c(-c3cccc(OC)c3)c2c1=O 40398248 XLEWZGDYXABYIT-UHFFFAOYSA-N 365.393 2.151 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3ccco3)ccc21 223238746 XBYPRHUBVBBTFQ-UHFFFAOYSA-N 362.451 2.490 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225781697 FYEJDXUFKYFUJP-UHFFFAOYSA-N 354.840 2.412 0 40 FEAB COc1cc(N2CCCCC2)nc(NC(=S)NCc2cccnc2)n1 225939061 SGRSSEMFDIDGTM-UHFFFAOYSA-N 358.471 2.357 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 75155466 CVDJNYGGPKBZLJ-KRWDZBQOSA-N 367.398 2.049 0 40 FEAB COc1cc(OC)cc(C(=O)NCC2CCN(c3ncccn3)CC2)c1 43977214 LEKFNIFMBVATBD-UHFFFAOYSA-N 356.426 2.140 0 40 FEAB O=C(CN1CCC(c2nnc(C3CC3)o2)CC1)NCCc1ccccc1 49377563 SMAPVNHGZKLPOL-UHFFFAOYSA-N 354.454 2.485 0 40 FEAB Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224147693 WKKAOMWZLXXYEY-UHFFFAOYSA-N 356.430 2.332 0 40 FEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 46302935 VUTHXDZKAIVYFE-UHFFFAOYSA-N 362.407 2.071 0 40 FEAB Cc1ccc(CN(CC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 223934596 PXHBXXQGZVXEOK-UHFFFAOYSA-N 360.479 2.381 0 40 FEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1 96036862 PTNNITQWGHVXTO-QGZVFWFLSA-N 372.469 2.235 0 40 FEAB Cc1c[nH]c(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 95517449 LLSDSGBNCMWQDC-MRXNPFEDSA-N 350.426 2.378 0 40 FEAB O=C1CO[C@]2(COCCN(Cc3ccoc3)C2)CN1c1ccc(F)cc1 96051297 AOMNHWJMYVNSKX-IBGZPJMESA-N 360.385 2.053 0 40 FEAB COc1cccc(N2C[C@]3(CCN(c4cc(OC)ncn4)C3)CC2=O)c1 96238920 CSYOIBWMAVFZSX-LJQANCHMSA-N 354.410 2.127 0 40 FEAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CC(=O)NCc2ccco2)C1 96207435 IDLAXQQBMOBMSO-BEFAXECRSA-N 359.426 2.039 0 40 FEAB Cc1cc(F)ccc1C(=O)N1Cc2cncn2[C@@H](COc2ncccn2)C1 247821053 GLAZSFNJQQXXRH-MRXNPFEDSA-N 367.384 2.397 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1ncoc1C 257309955 UDAXVXOJZUJEJR-KZNAEPCWSA-N 353.422 2.460 0 40 FEAB COCC(=O)N1CCC[C@H](c2nccnc2-c2cccc(C(=O)O)c2)C1 257210056 BSYAQWKOYIBDSK-HNNXBMFYSA-N 355.394 2.194 0 40 FEAB COCC(=O)N1CCC(Cc2nccnc2-c2cccc(C(=O)O)c2)CC1 257305225 SOYVFSPNHOCTFK-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](n4ccnc4)[C@@H]3O)ccc21 257218135 DBZGTWLAADZLQW-ATZDWAIDSA-N 367.453 2.446 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1OC 257247799 JAOATKFKRFGWAX-APWZRJJASA-N 360.454 2.290 0 40 FEAB COc1ccc(F)cc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257277326 NXMZMFUQPLSPEL-HNNXBMFYSA-N 359.401 2.285 0 40 FEAB Cc1ccc(OCC(=O)NCC(=O)O)c(-c2cc3ccccc3c(=O)o2)c1 256028101 SYLFXGMNXVUBHW-UHFFFAOYSA-N 367.357 2.348 0 40 FEAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2nc[nH]n2)CC1 639733386 NZKQQJIAZOOBPL-JTQLQIEISA-N 369.256 2.261 0 40 FEAB Cc1cccc(CO[C@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)n1 575404430 CEMFMTSLXBQMAC-LJQANCHMSA-N 363.421 2.223 0 40 FEAB NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C3CCC3)n1)CC2 585123520 ZXJFOJBGDWEXBP-UHFFFAOYSA-N 368.846 2.201 0 40 FEAB Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)c1ccnc(F)c1)C2 585110941 DGBMIVCLEYMZJX-OAHLLOKOSA-N 367.384 2.168 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]21 585109556 WTBKQBRSPODLNS-ILXRZTDVSA-N 362.476 2.356 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2cc(C)no2)C[C@]12C[C@H](c1ccccc1)CO2 585288367 XSYHMTYBDPPBLC-ILZDJORESA-N 356.422 2.326 0 40 FEAB O=C(CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)NC1CCCCC1 58573288 QWTDPKCMTUDQPK-UHFFFAOYSA-N 373.432 2.260 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)c1ccc(Sc2ccccn2)cc1 58342692 YMFLOMKQBDBTRZ-UHFFFAOYSA-N 371.462 2.212 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)Cc1c(C)nn(C)c1C 58393179 RTKTWFSVAQUYMM-UHFFFAOYSA-N 363.845 2.435 0 40 FEAB COCCN1C(=O)CCC[C@H]2CN(C3CCN(C(C)C)CC3)CC[C@H]21 1615155703 PPXJYSWUSXULNN-PKOBYXMFSA-N 351.535 2.209 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)[nH]n1 12145757 YIPNQDLYVKVHFD-UHFFFAOYSA-N 367.453 2.495 0 40 FEAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1C 13038909 XKJVPWKFZVRNNY-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB CCOC(=O)[C@H](C(C)=O)C(c1ccc(O)cc1)[C@H](C(C)=O)C(=O)OCC 17428865 OSTMROMJURSELQ-SJPCQFCGSA-N 364.394 2.012 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 19348166 AEQZNPPGFLBAQD-INIZCTEOSA-N 366.400 2.108 0 40 FEAB CC(C)c1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 19453121 KVIDTCNZICWQNQ-INIZCTEOSA-N 367.449 2.072 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)nn1C 19658848 MECFHJCTSVZRKH-UHFFFAOYSA-N 370.482 2.099 0 40 FEAB CCN1CCc2cc(CN3CCO[C@@H](C(=O)N4CCCCC4)C3)ccc21 19747389 VATOMZRCCLFQKI-HXUWFJFHSA-N 357.498 2.282 0 40 FEAB O=C1COc2ccc(C(=O)COC(=O)CCC(=O)c3cccs3)cc2N1 5831635 OIQYHHRKGXSISC-UHFFFAOYSA-N 373.386 2.468 0 40 FEAB CCCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH]n1 30255565 MDXGBJMYOSZQSV-UHFFFAOYSA-N 359.405 2.491 0 40 FEAB NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCCC2)c1 13068728 QRAPFRUDUQODIW-UHFFFAOYSA-N 361.261 2.159 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570909 TXNHRTKXCPLANH-LLVKDONJSA-N 359.336 2.024 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2cccs2)C1 2055747598 LMRCFZDYOKFFIF-SFHVURJKSA-N 361.442 2.259 0 40 FEAB Cc1nccc(O[C@H]2CCN(C(=O)c3cncc(Br)c3)C2)n1 585147211 ZJQIMMYBFKXJHC-ZDUSSCGKSA-N 363.215 2.236 0 40 FEAB COCC(=O)N1CCC(c2nc3cc(OC)c(OC)cc3cc2N)CC1 19592731 QBJHQIYLCVITFH-UHFFFAOYSA-N 359.426 2.187 0 40 FEAB COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(N)(=O)=O 6983114 NFRGOZHXCWOCBG-UHFFFAOYSA-N 359.407 2.005 0 40 FEAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3ncnn32)cc1 6948544 PIXBVKVWCMQMFV-INIZCTEOSA-N 358.398 2.155 0 40 FEAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 10403436 PDUTYUUEWNFDFA-LBPRGKRZSA-N 358.423 2.454 0 40 FEAB CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccc3ccccc3c2)s1 40150300 LIWKJIHYISSWOX-UHFFFAOYSA-N 362.436 2.244 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCCc1nc2ccccc2[nH]1 11752624 LLOUVGPCZPQTNQ-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 1640581 KWSRNFODVVETLY-QGZVFWFLSA-N 352.298 2.479 0 40 FEAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 3613221 XNWNBOOKQBNVDI-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCC(=O)N1CCCC1 32721360 WRRZOZHHJXSGMZ-UHFFFAOYSA-N 354.454 2.291 0 40 FEAB CC(C)=CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@H]3[C@H](O)CC(=O)[C@]13C)OC(=O)[C@H]2C 4900027 NVWSHXGIQXQTBM-OBQCFHMKSA-N 364.438 2.038 0 40 FEAB CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 6544042 OGEAWRRUJTZEDX-SECBINFHSA-N 351.497 2.441 0 40 FEAB Cc1nnc(SCC(=O)Nc2ccccc2I)[nH]1 7604663 XKOQGRIQQPMBGY-UHFFFAOYSA-N 374.207 2.449 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 7848841 SDZYGVDJHLKZKY-UHFFFAOYSA-N 365.433 2.445 0 40 FEAB NC(=O)c1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1 7875716 CZKADFGQKQKZQV-UHFFFAOYSA-N 352.379 2.204 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 29833733 HPFNDIMXRCMKLE-MRXNPFEDSA-N 359.470 2.205 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2ccc(F)cc2Br)n(C)n1 10984928 BAOBSMZTQJWGRC-UHFFFAOYSA-N 370.178 2.426 0 40 FEAB C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)NC(=O)NC1CC1 21998793 RQSCDORGTGTPQS-QMMMGPOBSA-N 365.436 2.405 0 40 FEAB COC(=O)c1ccoc1CN1CCCc2c(NS(C)(=O)=O)cccc21 52993029 YSUSWFHKGPJWDS-UHFFFAOYSA-N 364.423 2.391 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCc2ccc(Cl)cc21 104041410 CXMHWFDHCRKVCQ-MWDDYTRKSA-N 356.809 2.036 0 40 FEAB O=C(C[C@@H]1CCCO1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145892 GOYNPIHQCVYSLM-BZSNNMDCSA-N 369.465 2.490 0 40 FEAB O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CCN(CCCO)C1 23411590 RZPLQVZRVRCXIR-UHFFFAOYSA-N 356.470 2.297 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 23966868 NYHSPEWFPSNPGS-NWDGAFQWSA-N 361.316 2.492 0 40 FEAB Cc1ccc([C@@](O)(CCNC(=O)NC2CCC(O)CC2)C(F)(F)F)o1 42961151 KUTXXBPSGMNBSN-QOZQQMKHSA-N 364.364 2.331 0 40 FEAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 21872413 MQEOMSPXXVVBKD-JTQLQIEISA-N 352.378 2.302 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1 56334120 RAEWVYRYZXCUHV-CQSZACIVSA-N 354.410 2.412 0 40 FEAB CC[C@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 35343729 WQYOVLLZNQYXJL-ZDUSSCGKSA-N 352.866 2.086 0 40 FEAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1CO 100149942 HKHAUOIDMQHNGH-QZTJIDSGSA-N 371.481 2.041 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC)cc2OC)cc1 22520634 YAVOCNAGCHJMAL-UHFFFAOYSA-N 365.407 2.432 0 40 FEAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 22276898 QKJPCRGLLGVWOG-UHFFFAOYSA-N 369.826 2.469 0 40 FEAB O=C(NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cncc(Br)c1 408504675 XPXNRYGCOZNANW-PTRXPTGYSA-N 359.245 2.092 0 40 FEAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 3309764 ZCLBYKALTJFLDV-NSHDSACASA-N 359.407 2.214 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(CCOC(C)(C)C)CC2)cc1C 48263202 JFDHTQRMKGZVKU-UHFFFAOYSA-N 354.516 2.425 0 40 FEAB Cc1cc(CN2CCN(CC(=O)N3c4ccccc4CC[C@@H]3C)CC2)on1 29154065 CVXBGURJVFRLBK-KRWDZBQOSA-N 368.481 2.469 0 40 FEAB CCNC(=O)NC(=O)[C@@H](Sc1nnc2ccccn12)c1ccccc1 6115238 XLOWGLDJQNMJBH-AWEZNQCLSA-N 355.423 2.408 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1Br 8749780 VDGBPMCLIIPBMX-UHFFFAOYSA-N 367.243 2.152 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccc(Cl)c1 5166046 VRNZJPYAQBVXRF-UHFFFAOYSA-N 357.753 2.372 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NC(C)=O)cc1 6374809 BMJIYXSUTRNPIG-UHFFFAOYSA-N 370.361 2.227 0 40 FEAB CCCCN(C(=O)c1cccc(F)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 8734604 PVDJRYSFQJYQDI-UHFFFAOYSA-N 362.405 2.115 0 40 FEAB COc1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 14820078 VELTWHBEFSGMCU-UHFFFAOYSA-N 352.390 2.340 0 40 FEAB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCOC3)cc2)cc1 66899582 OKQLHVNERQJGRX-AWEZNQCLSA-N 360.435 2.307 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(C)(C)C 7984325 MJJQOAUUMLIGNC-UHFFFAOYSA-N 356.264 2.200 0 40 FEAB COCCn1cc2c(n1)[C@@H](NC(=O)C1CCN(CC(C)C)CC1)CCC2 96002925 DAJKBCRIOBORSJ-SFHVURJKSA-N 362.518 2.391 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8130532 DGTUNYSEOQSFQE-INIZCTEOSA-N 366.483 2.160 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccccc2F)C1=O 8159114 BYYIXBDLMZVIFZ-LJQANCHMSA-N 355.369 2.257 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 72284198 YPQGZVXJLNWKKU-IEBWSBKVSA-N 353.422 2.138 0 40 FEAB O=C(O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 84507113 JZQDSIDDILNVDS-UHFFFAOYSA-N 353.318 2.071 0 40 FEAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)c3ccco3)CC1)CN(C)C2=O 306132431 LIQBEHUFCNRSCS-UHFFFAOYSA-N 368.437 2.453 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O 5789683 YCNSXBIJSKDORK-WOCWXWTJSA-N 357.406 2.181 0 40 FEAB biogenic C[C@H]1CN(CC(=O)Nc2nccs2)CCN1c1nc2ccccc2o1 533408648 FCVOWPFBBAVZEK-LBPRGKRZSA-N 357.439 2.434 0 40 FEAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccccc1Br 36635323 ZRPUEUOHFSEEEU-SNVBAGLBSA-N 354.229 2.091 0 40 FEAB CN(C(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)C1CCCCC1 38756401 GVTPXHHPGBNRIP-UHFFFAOYSA-N 353.488 2.334 0 40 FEAB O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCSCC1 71280498 MKCOJXSPVGVAPX-UHFFFAOYSA-N 374.915 2.459 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 72339962 IJVJZZSTTOIFMJ-ZENOOKHLSA-N 371.485 2.326 0 40 FEAB CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccn1 528014046 VXTGFPQCBKLMOT-UHFFFAOYSA-N 352.394 2.493 0 40 FEAB COC[C@@H](C)NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 45873118 RNCBOHPKOFCCJJ-SNVBAGLBSA-N 369.343 2.324 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96226947 XAMPFTGQMYTHDT-YLJYHZDGSA-N 353.397 2.389 0 40 FEAB COc1ccc2c(c1)CCN(c1cc(N3CCC(O)CC3)ncn1)CC2 95373033 LSMQAZOLLYSROO-UHFFFAOYSA-N 354.454 2.052 0 40 FEAB COC1(c2nc(-c3cnccn3)no2)CCN(C(=O)c2ccccc2)CC1 583615967 YHVMOSUVJHWDJQ-UHFFFAOYSA-N 365.393 2.305 0 40 FEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4cccn4C)C3)CC2=O)cs1 96239367 OGFAPTCERVKJDV-SFHVURJKSA-N 358.467 2.055 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96041053 GAFVJIFFIFCVNT-SZMVWBNQSA-N 357.479 2.439 0 40 FEAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2cncn21)c1ccccc1 247483104 JUGYMUQSHLMZDV-LJQANCHMSA-N 354.454 2.096 0 40 FEAB Cc1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1C 243165439 JRTAHISQEJSTAJ-UHFFFAOYSA-N 360.479 2.428 0 40 FEAB CCn1nc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cc1C 257204815 AWJVPDWLULVNBF-GOSISDBHSA-N 357.458 2.195 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccnc12 257271957 NALVQKBNZZRHOT-ZDUSSCGKSA-N 357.458 2.183 0 40 FEAB CCCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)C3CCC3)C2)nc1C 257294009 QSBDAZHZMSVOLX-INIZCTEOSA-N 358.486 2.278 0 40 FEAB Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(C(F)(F)F)c(O)n2)cn1 613728517 GFWFKCOAQIXJDQ-WCQYABFASA-N 370.331 2.190 0 40 FEAB COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c(C)nn(CCC(=O)O)c1C)C2 630331993 ATAJRRBOFCNTMV-AWEZNQCLSA-N 373.409 2.173 0 40 FEAB O=C(O)CC1(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CCCCC1 663124078 YIEAILWBSWDWAN-UHFFFAOYSA-N 369.421 2.250 0 40 FEAB O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[C@H](n2cncn2)C1 681600684 APAQCFUUILOWBU-RYUDHWBXSA-N 357.241 2.272 0 40 FEAB C[C@]1(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CC=CCC1 585110660 XDNPVINYBVNPBE-NRFANRHFSA-N 370.497 2.431 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2ccccc2F)Cc2cccn2C1 585099175 RIKLPRRULMRBGI-INIZCTEOSA-N 359.445 2.412 0 40 FEAB CC(C)N1CCN(CC(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)CC1 585283786 CKLCBYFRIWSHRX-FXAWDEMLSA-N 351.535 2.209 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108862 ZEWQZWZQRDMAAQ-BJLQDIEVSA-N 371.412 2.133 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2C)C1 585278175 RGXMWUWCMBGFLM-NRFANRHFSA-N 355.434 2.450 0 40 FEAB COc1cccc(N2C[C@@H](NC(=O)COc3ccccc3OC)CC2=O)c1 5194938 XNCWUKCSNKBRMO-AWEZNQCLSA-N 370.405 2.004 0 40 FEAB COc1ccc(C2(CNC(=O)N[C@H](C(=O)O)C(C)C)CCOCC2)cc1 5451261 PCPYFCPNDMINPL-INIZCTEOSA-N 364.442 2.152 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)c1C 12086745 HWDPBHLNZIBPKU-HXUWFJFHSA-N 368.437 2.009 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116086 YPXSXNYAIJNOAU-SFHVURJKSA-N 373.420 2.445 0 40 FEAB CC(C)(C)N1C[C@H](C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)CC1=O 12219842 MPZOHYCBCWFFOK-ZIAGYGMSSA-N 369.469 2.311 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222750 BVPGLXXLOVSJBH-UHFFFAOYSA-N 354.410 2.308 0 40 FEAB COCc1ccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)o1 19594487 VZXZBEOARRKLEL-LLVKDONJSA-N 371.484 2.061 0 40 FEAB Cc1nc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)ncc1C(N)=O 19753384 IRCOCNBIFXKFDF-UHFFFAOYSA-N 370.428 2.362 0 40 FEAB COC(=O)[C@H]1CCn2c(nnc2-c2cc(OC)ccc2Br)C1 601045886 ZPDVUOFTBGFRFA-VIFPVBQESA-N 366.215 2.452 0 40 FEAB COC(=O)c1ccc(COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)o1 5311470 LHFGOQONKVIJDF-UHFFFAOYSA-N 362.363 2.338 0 40 FEAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2c(C)noc2C)[C@@H]1CO 1775963915 JOJVENYNLIXXMF-BRWVUGGUSA-N 351.491 2.482 0 40 FEAB biogenic,in-vitro CN(C(=O)[C@@H]1CCOC1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1776009783 QIMLJVXMFHLJDO-CYBMUJFWSA-N 374.391 2.105 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccccn2)C1 2055750997 WFBMMWFOBXNJLO-FQEVSTJZSA-N 352.438 2.257 0 40 FEAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccs4)nc32)cc1 4175886 FCTOPZPYEBSJQE-UHFFFAOYSA-N 351.391 2.245 0 40 FEAB COc1ccc(CN(C(=O)c2cnc(N)nc2C)C2CCN(C)CC2)cc1 19656030 OOBRXYTUWJESDV-UHFFFAOYSA-N 369.469 2.112 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccc(Br)o2)C(N)=O)cc1 13764738 IHYNXKCSJUXORL-FLIBITNWSA-N 365.183 2.307 0 40 FEAB CC[C@@H]1CCc2sc(C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2C1 10417912 TWENEPWSVPRCCQ-GFCCVEGCSA-N 370.540 2.417 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N(Cc1cccnc1)C1CC1 51013144 BQTWEFYBSCMQPI-UHFFFAOYSA-N 360.417 2.497 0 40 FEAB C[C@@H]1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCO1 11500390 TXHNRBJIXCDOEO-SNVBAGLBSA-N 355.316 2.458 0 40 FEAB Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(-c2ccncc2)n1 60112778 KKKGNBJYZSNIOL-UHFFFAOYSA-N 369.450 2.149 0 40 FEAB Cn1ccnc1SCc1ccc(C(=O)NCCC(=O)N2CCCC2)o1 46319010 FRPALICTEWNTIN-UHFFFAOYSA-N 362.455 2.048 0 40 FEAB CN(CCCNC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 17827100 JRHZSWIRDRJHPD-UHFFFAOYSA-N 360.479 2.488 0 40 FEAB Cc1c(C(=O)O[C@H](C)C(=O)NC(N)=O)oc2ccc(Br)cc12 3522843 OEZMHSPAWSECOY-SSDOTTSWSA-N 369.171 2.244 0 40 FEAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858812 FHZGATSGERGMCC-AWEZNQCLSA-N 359.455 2.194 0 40 FEAB CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 21832669 VKMZHAQKQKJERH-UHFFFAOYSA-N 360.366 2.323 0 40 FEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002019 FXPNOCUKGZTHGL-SWLSCSKDSA-N 352.866 2.072 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)n1 104346573 BZWOHAQANBTATB-KRWDZBQOSA-N 353.422 2.401 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c1 47030387 ZIOLIKOPBNOFJB-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2cccc(C)c2C)CCO1 58174054 YYYXEULURONJFN-AWEZNQCLSA-N 361.471 2.009 0 40 FEAB CN(C)CCNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041360 JJEPYEYFLJBWBY-UHFFFAOYSA-N 368.264 2.495 0 40 FEAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(Br)c1 106530976 FBMPDFSKWVUAEU-KBPBESRZSA-N 357.223 2.181 0 40 FEAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102296918 ALVNDAZBJWVXBR-PHIMTYICSA-N 350.444 2.165 0 40 FEAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 56951836 MJRIZQRZRQXXMN-WMZOPIPTSA-N 368.437 2.049 0 40 FEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1cn2ccccc2n1 12507660 LFTMWUQHQGRUSC-INIZCTEOSA-N 366.446 2.496 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(C)n3n2)c1 44889679 ATSLURHQZICYKW-UHFFFAOYSA-N 359.411 2.181 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 12647771 FJRILBVXAFNHTH-UHFFFAOYSA-N 371.416 2.378 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(O)cc2O)c1C 3334475 MQTIKOOSUDTMKO-UHFFFAOYSA-N 361.350 2.259 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(Cl)cc(Cl)c1 12971983 DSKIXPOUNNNXKW-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)c1 13326701 KYMQIGGZOJLNER-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 5185534 CJIJKBNADLFURJ-CQSZACIVSA-N 367.398 2.013 0 40 FEAB Cn1cc(C(=O)NCCCC(=O)NCc2ccccc2)c(C(F)(F)F)n1 6239556 MVDVLWVPIWYDMR-UHFFFAOYSA-N 368.359 2.265 0 40 FEAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 14167213 RPAVWQKPIBHPHI-DNVCBOLYSA-N 358.369 2.033 0 40 FEAB CNC(=O)c1ccc(OC)c(NCC(=O)N2CCc3ccccc3C2)c1 96998912 UNJQQFYPPICNHW-UHFFFAOYSA-N 353.422 2.052 0 40 FEAB O=C(CC1CCOCC1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005047 MONXUVXMRZOXDW-QGZVFWFLSA-N 366.483 2.236 0 40 FEAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1CC(C)C 96117807 CACBKLOJBVUAQN-SECBINFHSA-N 354.428 2.408 0 40 FEAB O=C(NCc1ccccc1F)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344298 UTQJQXDKRGQQPP-CYBMUJFWSA-N 352.369 2.371 0 40 FEAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccco5)CC4)nccn23)cn1 306138624 SCMQMZJZBPKPIU-UHFFFAOYSA-N 363.425 2.045 0 40 FEAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1sc2ccccc2c1Cl 35355434 LIVSUGGQRGKBOV-LLVKDONJSA-N 352.843 2.418 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 32736739 UFCXKRVLFPWWIU-LLVKDONJSA-N 369.259 2.443 0 40 FEAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 409109361 CDJQVQIPAWHKHV-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB CN(C)c1ncc(NC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cn1 516658626 RAMUFCSBMZJWCU-LJQANCHMSA-N 367.409 2.184 0 40 FEAB CCOC(=O)c1sc(NC(=O)CN(C)CC)c(C(=O)OCC)c1C 36646093 SGMXOXFRIZYBLP-UHFFFAOYSA-N 356.444 2.300 0 40 FEAB CCCCC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980560 XRYCJXITFDYKGJ-KRWDZBQOSA-N 360.454 2.481 0 40 FEAB CN(CC(=O)O)S(=O)(=O)c1ccc(Br)c2ccccc12 72227008 NYPWUEJRIAMBNN-UHFFFAOYSA-N 358.213 2.307 0 40 FEAB O=S(=O)(Cc1cccc(Cl)c1)NCC1(O)Cc2ccccc2C1 225716384 ZHILHWKDMTYZKN-UHFFFAOYSA-N 351.855 2.289 0 40 FEAB COc1ccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1OC 224299442 OXPVEAJEEDKEJS-UHFFFAOYSA-N 372.425 2.200 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CCSC)cc1Cl 75157595 HAQWJILVHZZYFJ-CYBMUJFWSA-N 353.893 2.131 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 225775631 CQOMPMHRBZRFRW-FSDCSDTHSA-N 352.394 2.178 0 40 FEAB COCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Br 227159426 JYGYURGRTZYNFA-LLVKDONJSA-N 368.231 2.165 0 40 FEAB Cc1cccc(CSCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 222603122 MCTDDEOPKIMVKG-INIZCTEOSA-N 370.540 2.016 0 40 FEAB COc1cc(C(=O)NCCCn2c(C)cccc2=O)cc(OC)c1OC 96191795 JKPUMUONIWFYQQ-UHFFFAOYSA-N 360.410 2.003 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 96043375 SOGYVGLKNTVOBM-CEXWTWQISA-N 355.438 2.218 0 40 FEAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 96219380 JNFFYAGKIJPMRB-GHTZIAJQSA-N 355.482 2.345 0 40 FEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)OCCS3)C(=O)C2 96120481 KQAICMLBJSJTMI-BBRMVZONSA-N 373.540 2.267 0 40 FEAB CNC(=O)c1cnn2c([C@@H]3CCCN(Cc4scnc4C)C3)ccnc12 257250562 JNAGDUHYAHBLIU-CYBMUJFWSA-N 370.482 2.233 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 257279697 OHTUVMBYYBXFOQ-CQSZACIVSA-N 366.425 2.187 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@H]2c2ccc(CN(C)C)cn2)n1 257323081 WIROYFSDUQPWBA-INIZCTEOSA-N 357.458 2.385 0 40 FEAB O=C(c1cccc2ccccc12)N1CCN(C2CCS(=O)(=O)CC2)CC1 253473799 YMOSZZWCJHLMRW-UHFFFAOYSA-N 372.490 2.175 0 40 FEAB C[C@]1(O)CCN(Cc2ccc(OCCO)cc2)C[C@@H]1Oc1ccccc1 257270118 MSVYUNJEDPXLKM-SFTDATJTSA-N 357.450 2.462 0 40 FEAB CC(C)(C)N1CCC(NC(=O)Nc2ncn(Cc3ccccc3)n2)CC1 588253633 HSZUSTAJZORRDA-UHFFFAOYSA-N 356.474 2.711 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@]12CCCC[C@@H]1C2(F)F 665763010 XEODLYHAEPELES-DZGCQCFKSA-N 374.409 2.497 0 40 FEAB COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)ncn1 680863056 SBRHEIDOMBMIKO-CVEARBPZSA-N 356.401 2.077 0 40 FEAB C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@@H]1CCO[C@H]1c1nccn1C 598929169 GUMKGBNJAMFEAL-MORSLUCNSA-N 366.421 2.382 0 40 FEAB O=C(CCN1CCCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585268882 CGVXVZGQQNORBE-LJQANCHMSA-N 350.434 2.044 0 40 FEAB CN1C(=O)CN(C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)C1=O 823748685 WRQNIULLQVXSDX-UHFFFAOYSA-N 370.236 2.492 0 40 FEAB O=C(CSC1CCCC1)N1CCCSC[C@H]1CN1CCOCC1 90701977 BAJJNIBKXWDTCZ-OAHLLOKOSA-N 358.573 2.329 0 40 FEAB Cc1cc2n(n1)C1(CCN(Cc3cnn(C)c3)CC1)CC(=O)N2CC1CC1 1772596608 YLUFADHVMKKVQP-UHFFFAOYSA-N 368.485 2.063 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 18176671 SICUIYHZPIUNSR-HOTGVXAUSA-N 365.433 2.307 0 40 FEAB COCC(=O)NCc1cnc(C)nc1-c1cn(C)c2ccc(OC)cc12 19287125 GYJKWBKUGUORGL-UHFFFAOYSA-N 354.410 2.215 0 40 FEAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1NC[C@@H]1COCCO1 19521636 GKAIGXNJGGNMKX-OAHLLOKOSA-N 360.458 2.321 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19569573 BCNJHBWRIQMTOU-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CN1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 19589917 FCYDGARNQYKFNO-IBGZPJMESA-N 366.444 2.197 0 40 FEAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)N(C)C 19754195 DRZQGRPUXXWBPY-MRXNPFEDSA-N 353.426 2.249 0 40 FEAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N(C)C 19754244 LFQKFNOEUKYEMP-KRWDZBQOSA-N 367.453 2.178 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccccc2OC)cc1 19931940 FOSLQTSGKOTGGH-UHFFFAOYSA-N 363.435 2.444 0 40 FEAB O=C(CN1CCSC1=O)Nc1cccc(I)c1 6886957 CYQHTASAGBORPI-UHFFFAOYSA-N 362.192 2.399 0 40 FEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1COc2ccccc2O1 10815706 DAIRABQIQUDXIE-QGZVFWFLSA-N 363.377 2.454 0 40 FEAB COc1cc(NC2CCN(C(=O)c3ccc4nsnc4c3)CC2)ncn1 1888897477 FBYDIAXLLZOUIZ-UHFFFAOYSA-N 370.438 2.207 0 40 FEAB O=C([C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1)N1CCSCC1 1889139148 KHUQSQXTRODTKI-CQSZACIVSA-N 367.858 2.262 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N2CC3(CC(c4ccccc4)C3)C2)CC1 1849051480 YQDXWXDLZKAHLM-UHFFFAOYSA-N 362.495 2.064 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCCC2)nc1 30299182 UTEFKUIDFAXAPA-OAHLLOKOSA-N 352.438 2.117 0 40 FEAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1cccc(F)c1 32836704 SOMJMUZAJOBDDM-ZDUSSCGKSA-N 364.442 2.408 0 40 FEAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)C1CC1 1775963832 FYPLHZZTJDYUPE-AWEZNQCLSA-N 358.373 2.099 0 40 FEAB biogenic,in-vitro CCn1c(C)nc2cc(C(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)ccc21 2037880251 ZDUZEISOTRKOGB-ATZDWAIDSA-N 367.453 2.364 0 40 FEAB COC(=O)C1=C(C(=O)OC)[C@@H](c2cccs2)c2sc(=O)[nH]c2S1 4291892 DOOJIODIEUNZSA-SSDOTTSWSA-N 369.445 2.336 0 40 FEAB CNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 4335453 RSQUHXNGZNLWEU-CYBMUJFWSA-N 358.419 2.375 0 40 FEAB NC(=O)CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1 11695887 QNEDPSNXADEQKK-UHFFFAOYSA-N 373.459 2.487 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccccc1F 2055739376 TWJPCXWZNHGKIT-GFCCVEGCSA-N 357.385 2.337 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)COc4ccccc4C)C[C@H]3C2)ncn1 1889341329 AMDLGYWLWMACJG-CALCHBBNSA-N 352.438 2.067 0 40 FEAB C[C@@](O)(CNS(=O)(=O)c1cccc2nsnc12)Cc1ccsc1 618257253 SXJJBTUXBQCLNH-AWEZNQCLSA-N 369.493 2.025 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@]1(O)CCOc2ccccc21 75158138 JHRSAZIPCAIRIA-IEJURRBGSA-N 353.374 2.215 0 40 FEAB O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nccs1 40090015 REMZFUNAKCDRMU-UHFFFAOYSA-N 358.467 2.206 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)NCc1ncc(C)c(OC)c1C 50448662 JIVKWTBGDAHJTL-UHFFFAOYSA-N 351.406 2.450 0 40 FEAB CCN(CC)C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 31503885 FDCFWPBIUDBPBG-UHFFFAOYSA-N 369.263 2.064 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 1224409 XZHOQXCYOXXLKR-UHFFFAOYSA-N 351.366 2.190 0 40 FEAB COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 1381030 LVWATCQWEZAMAZ-CXAGYDPISA-N 359.378 2.482 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4371876 SMLKJICDHLUSRA-MJVIPROJSA-N 371.340 2.247 0 40 FEAB O=C(CSc1nnc2ccccn12)Nc1cccc(C(=O)NC2CC2)c1 11975967 AUCYKPCCZMBENN-UHFFFAOYSA-N 367.434 2.352 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(Cl)c[nH]2)cc1 21523241 GPKBJMQNZCSSAW-SNVBAGLBSA-N 364.785 2.316 0 40 FEAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1C 7167098 QXVJYTOLNJCFBD-JTQLQIEISA-N 362.407 2.348 0 40 FEAB O=C1[C@H]2[C@H](C(=O)N1c1cnn(Cc3cccc(Cl)c3)c1)[C@H]1CC[C@H]2O1 102609912 AHDKFRVLBWANDH-KLHDSHLOSA-N 357.797 2.252 0 40 FEAB CC(C)CNC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 22747433 DQVFYIJRUVGWAG-UHFFFAOYSA-N 353.894 2.109 0 40 FEAB CCc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cccn2)nc1 54454601 GYEMVRFDCXDXIE-UHFFFAOYSA-N 360.421 2.496 0 40 FEAB C[C@@H]1CN(CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 23584700 ZHDKMUXSZSGCKS-GQYGNMKRSA-N 363.502 2.280 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 101413042 LEALWQJHZLZUMP-ULQDDVLXSA-N 356.422 2.275 0 40 FEAB Cc1ccc(C(=O)N2CCC(NC(=O)NCC3CCN(C)CC3)CC2)cc1 105235802 BMPKTFQOCPYAST-UHFFFAOYSA-N 372.513 2.241 0 40 FEAB CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)N1C[C@@H](C)O[C@H](C)C1 106153796 LIGHVNDXCUCKEQ-MBOZVWFJSA-N 374.529 2.432 0 40 FEAB O=C(c1cnccn1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 22521534 RHUDPNWGAYGUHB-UHFFFAOYSA-N 351.332 2.243 0 40 FEAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 24960988 CEGQAQXDTVSNRV-ZUOKHONESA-N 357.454 2.247 0 40 FEAB CCOC(=O)N(C)CC(=O)NCC1(c2cccc(F)c2)CCOCC1 55452255 XCQQXMWUOPCQKJ-UHFFFAOYSA-N 352.406 2.078 0 40 FEAB COc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cn1 58372238 WUEBWJLKPHPWSO-UHFFFAOYSA-N 351.288 2.082 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CSC(C)(C)C)c1 25129465 USTKKFUJKGUODY-UHFFFAOYSA-N 358.529 2.230 0 40 FEAB C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)C[C@H](C)O1 56062422 FCRVOQAMUDHJKR-STQMWFEESA-N 367.496 2.235 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)s1 56100075 WFXYCBOLDFIDJK-JTQLQIEISA-N 358.876 2.139 0 40 FEAB CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl 27350227 NOQFDEJXJUAUJT-UHFFFAOYSA-N 354.859 2.498 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CCOCC2)cc1 58007599 RMLIQIGJBRXUMZ-UHFFFAOYSA-N 363.458 2.486 0 40 FEAB Cc1ccccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27555437 PAMTVULKNPNTBR-ZDUSSCGKSA-N 359.451 2.032 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOc3c(C)cc(C)cc32)cc1 58209727 IMUDZICOHCKGOG-KRWDZBQOSA-N 374.462 2.465 0 40 FEAB COc1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 20727970 ALXHGPIOIAEALI-UHFFFAOYSA-N 364.401 2.426 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)s1 3389218 NGOJNFLQGZWCEY-UHFFFAOYSA-N 359.379 2.497 0 40 FEAB CCCn1c(O)cc(=O)nc1SCC(=O)N1CCCc2ccccc21 3344883 MSSQBVYAWVUEDG-UHFFFAOYSA-N 359.451 2.430 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1F 3594594 SAOPFHLNYWTGIY-FQEVSTJZSA-N 367.380 2.466 0 40 FEAB COc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)C3CC3)CC1)O[C@@H](C)C2 12919100 RRIHOXVYCUYNPJ-GJBLVYBDSA-N 370.449 2.113 0 40 FEAB CC(C)CN(C(=O)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039845 TUAMOEJNLWAXIB-UHFFFAOYSA-N 358.442 2.078 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)CCc1ccco1 13089629 ABKIAKTXNXVOLQ-NSHDSACASA-N 353.396 2.286 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2C)n(C)c1=O 13540061 XZXDURPGDCGDHB-LBPRGKRZSA-N 353.426 2.013 0 40 FEAB COc1ccc(OC)c([C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 4247977 LPHRHKLZIKMPPA-CQSZACIVSA-N 350.396 2.408 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCCn3ccnc3)c(C)c12 5209139 RPULPVXIGAYTQR-UHFFFAOYSA-N 369.421 2.364 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1C 4488075 FGHPRYMOEVPUHB-UHFFFAOYSA-N 368.499 2.319 0 40 FEAB CCOC(=O)c1cc(NC(=O)c2cnn(C)c2C)cc(C(=O)OCC)c1 14182240 CZJIDLAHYUYVOS-UHFFFAOYSA-N 359.382 2.334 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 6552990 ZUYXLVHHQVGAHN-OAQYLSRUSA-N 365.433 2.203 0 40 FEAB Cc1cc(O[C@H](C)C(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCC3 6658943 ZEHXRCCUOFHGMP-CQSZACIVSA-N 372.465 2.425 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 9236358 SWTGGWBWTOIELD-HNNXBMFYSA-N 351.406 2.033 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)cc(N)n2)cc1OC 7177473 NKQJYGSZXCFQRV-LLVKDONJSA-N 362.455 2.181 0 40 FEAB COCCNC(=O)CSc1nnc(-c2ccc3c(c2)CCCC3)n1C 9193282 ATZHBSCFUCIFAQ-UHFFFAOYSA-N 360.483 2.216 0 40 FEAB CSc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3cccnc3)CC2=O)cc1 83992891 PTXCTEPOQAJYHZ-RHSMWYFYSA-N 371.462 2.006 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)NCCCC(=O)N1Cc2ccccc2C1 72310126 FSINPCNCWNLQOT-UHFFFAOYSA-N 354.406 2.309 0 40 FEAB CCN1CCC[C@@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 95961966 BGJPXUSHUPAAMJ-AWEZNQCLSA-N 352.442 2.253 0 40 FEAB Cn1cc(CN2CCN(c3nccn4c(-c5ccccc5)cnc34)CC2)cn1 306129227 HXYFJPYLEGIWCY-UHFFFAOYSA-N 373.464 2.452 0 40 FEAB CC[C@@H](C)NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32888409 FHUMFTPXLNABSZ-CQSZACIVSA-N 360.454 2.267 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2ccon2)cs1 548682145 UJHWJIDENOEIRF-WFASDCNBSA-N 352.435 2.053 0 40 FEAB COc1cc2c(cc1OC)CCN(C[C@@H](O)COCc1ccco1)CC2 516745361 FDIFIICWXDKFPC-QGZVFWFLSA-N 361.438 2.275 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217664206 WMUPMXCKBLOXTJ-LBPRGKRZSA-N 370.471 2.443 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCOc1cc(CO)cc(CO)c1 224456645 IAFYCKVNSHCQQX-UHFFFAOYSA-N 355.390 2.126 0 40 FEAB COc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 49983441 BRGQMDGAWSQGKO-UHFFFAOYSA-N 370.471 2.373 0 40 FEAB COc1cnc(N2CCC(Cn3ccnc3C)CC2)nc1-c1ccnn1C 20864937 CSVJKDVRSMPOEQ-UHFFFAOYSA-N 367.457 2.307 0 40 FEAB O=C([C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 96241644 XCIZIJMHJMASBK-PKOBYXMFSA-N 370.493 2.155 0 40 FEAB Cc1ccc(CN2CC[C@]3(CCC[C@H](CNS(C)(=O)=O)O3)C2)s1 96206066 DNPLATDKGWQLKJ-GDBMZVCRSA-N 358.529 2.119 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)c1 96226838 ILFNLDBJVHCIGD-MJGOQNOKSA-N 371.462 2.429 0 40 FEAB CCc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 243426804 MWVXJDDPWDTWQZ-UHFFFAOYSA-N 360.479 2.374 0 40 FEAB O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247945781 QTWAMNFKXPGHJU-AWEZNQCLSA-N 366.400 2.197 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257234861 GVJZWTWXQFECIX-UHFFFAOYSA-N 357.458 2.238 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257312167 UMTGZDZEUSNBFX-FQEVSTJZSA-N 356.491 2.312 0 40 FEAB O=C(CCN1CCc2ccccc21)N1CCC[C@H](c2ccnc(O)n2)C1 257250009 JKPYSMPCOOQPDA-INIZCTEOSA-N 352.438 2.341 0 40 FEAB Cc1ccnc([C@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)CCO2)n1 257268267 MKXWXRDKWPPCMF-CQSZACIVSA-N 353.382 2.152 0 40 FEAB Cc1ncsc1CN1CCCC[C@H]1c1ccnc2c(C(N)=O)cnn12 257251207 JPWFQABUPQLIBD-ZDUSSCGKSA-N 356.455 2.320 0 40 FEAB O=C(Nc1c[nH]nc1-c1ccccc1F)c1cn(C[C@H]2CCOC2)nn1 529205498 WJQDQSNXWCVKAA-LLVKDONJSA-N 356.361 2.096 0 40 FEAB O=C1C[C@H](c2cccc(Cl)c2)c2c(O)nc(N3CCOCC3)nc2N1 585655790 MQCMUQKYPCHUNZ-GFCCVEGCSA-N 360.801 2.146 0 40 FEAB COc1ccc(C(=O)N2CCC(c3ccnc4cc(C)nn34)CC2)cn1 257220135 DJRFXRPIGIMQPE-UHFFFAOYSA-N 351.410 2.461 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 263976831 DHRHNTKZPAJSRX-CQSZACIVSA-N 373.438 2.386 0 40 FEAB Nc1c(-c2noc(CCOC3CCOCC3)n2)cnn1-c1cccc(F)c1 1776003174 WJFRNCIKLGMFII-UHFFFAOYSA-N 373.388 2.382 0 40 FEAB COC[C@H]1CN(CC2CCOCC2)CC12CCN(C1CCOCC1)CC2 585102795 FVGDEBCDJGGPAY-LJQANCHMSA-N 366.546 2.252 0 40 FEAB CO[C@]1(COc2ccc(F)cc2)CCCN(CC2(O)CCOCC2)C1 585276485 KEWCHOCGNIPHHJ-LJQANCHMSA-N 353.434 2.227 0 40 FEAB CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 58162504 WAEIZBFGUGNGAF-UHFFFAOYSA-N 370.413 2.399 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1ccc(C)cc1 57766189 XJVYAHMWGDTNEF-UHFFFAOYSA-N 374.462 2.499 0 40 FEAB O=C(Cn1cnc2c1CCNC21CCOCC1)N1CCC(C2CCC2)CC1 1615552263 SRLUCQNDICKAEQ-UHFFFAOYSA-N 372.513 2.073 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cc(NC2CC2)n1 1632792034 KHHIHZXBXSHLSU-ROUUACIJSA-N 358.486 2.072 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000145 UAMVSZPMYXPWNS-MSOLQXFVSA-N 371.412 2.152 0 40 FEAB CCN1C(=O)[C@H](OC(=O)c2cnn(C)c2C)C[C@H]1c1ccc(OC)cc1 5007856 XPNVQRZNCXWKPB-DLBZAZTESA-N 357.410 2.256 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C[C@@H]2CCOC2)C1 12365303 SBCLPCGVKDQZDE-QWHCGFSZSA-N 358.891 2.354 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3ccccc32)cc1 12913293 HHLVQVNSTLYUSQ-GOSISDBHSA-N 358.463 2.467 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C(C)(C)C)nc(O)c2C1 19018042 DXLHCODQKKQBDG-OAHLLOKOSA-N 360.458 2.187 0 40 FEAB CN1CCN([C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)O)CC1 22585008 XSXDLSUUIBLWRW-ZDUSSCGKSA-N 360.241 2.023 0 40 FEAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC[C@H]1CCCO1 3404064 DGXVSZAGFBJSNT-SECBINFHSA-N 361.254 2.423 0 40 FEAB COCc1nsc(N2C[C@H]3CCC[C@@]3(COc3nccc(C)n3)C2)n1 1888866966 KGDXTENCYWLIAN-DYVFJYSZSA-N 361.471 2.468 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889191563 QBNXXQUYTULNOJ-DOTOQJQBSA-N 361.442 2.261 0 40 FEAB CC(=O)N[C@@H](CC(=O)N1CCN(Cc2cccnc2)CC1)c1cccs1 32882467 KHJMAMDGUKGCFK-KRWDZBQOSA-N 372.494 2.055 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 2037908876 CJRGTXLWMGHEHW-IBGZPJMESA-N 361.417 2.072 0 40 FEAB O=C(c1cncs1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978430 VVAWFQUHAUFYGH-HIFRSBDPSA-N 357.435 2.037 0 40 FEAB Cn1cc(N2C[C@]3(CCCN(Cc4cccc(F)c4)C3)C2=O)ccc1=O 1615102608 ZXWSADZBOGHLDQ-HXUWFJFHSA-N 355.413 2.153 0 40 FEAB O=C1C[C@@H](NS(=O)(=O)c2ccccc2F)CN1c1ccc(F)cc1 5222221 ONSXGUUMXGOEGZ-GFCCVEGCSA-N 352.362 2.049 0 40 FEAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2cccc3[nH]ccc23)CC1 2055704373 ZLSRIKMSCXBRES-UHFFFAOYSA-N 351.454 2.444 0 40 FEAB Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 23127855 XFPSDDWWGUOBHX-LJQANCHMSA-N 368.433 2.090 0 40 FEAB CCNC(=O)N1CCN(C(=O)CCC(=O)c2cc(C)sc2C)CC1 73068057 REVYHBGXTROVIX-UHFFFAOYSA-N 351.472 2.202 0 40 FEAB CCOc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 20374033 HJELBFAXXTWEPK-UHFFFAOYSA-N 354.454 2.413 0 40 FEAB O=S(=O)(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 46036434 OVGSVJRJRHSVLN-ZIAGYGMSSA-N 364.389 2.490 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4133517 DRVYWDQMTLJWGJ-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O 21559175 VOGXQEPANLILRY-QRWLVFNGSA-N 354.406 2.300 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCN1CCc2ccccc2C1 37170967 YWPRDCZPCGPPJL-MGPUTAFESA-N 352.434 2.389 0 40 FEAB CCCNC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)NCCC)c1 10009835 GXLIZBIXBXJIKM-UHFFFAOYSA-N 353.488 2.115 0 40 FEAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCOCC1 8623641 UIJRFMYKHDTEFN-ROUUACIJSA-N 369.465 2.359 0 40 FEAB biogenic,in-vitro CCOC(=O)CSc1nnc2c3cnn(-c4ccccc4)c3ncn12 642516 ICHKVUROKPDORD-UHFFFAOYSA-N 354.395 2.118 0 40 FEAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 9063786 KBLAPLOABZJPHW-UHFFFAOYSA-N 354.472 2.352 0 40 FEAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccc2c(c1)OCO2 22784102 YPWZCCSDMTURBP-UHFFFAOYSA-N 359.451 2.233 0 40 FEAB COc1cccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)c1OC 23057864 GQAOYHMRZMYWOT-UHFFFAOYSA-N 363.435 2.380 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 23133673 BHXWDDLDHKMSRD-UHFFFAOYSA-N 353.422 2.477 0 40 FEAB Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 23183337 NEXOTBSAAPZCAV-AWEZNQCLSA-N 350.440 2.005 0 40 FEAB CC[C@H](C(=O)OC(C)C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958399 POQLMPAXFMYOEL-SNVBAGLBSA-N 352.412 2.456 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2cccc(F)c2)nc1N 903391 BEPDISVKQVJGRP-UHFFFAOYSA-N 350.375 2.105 0 40 FEAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccco1 24773132 RZPJXLYSTMZSGK-UHFFFAOYSA-N 372.421 2.380 0 40 FEAB CCOC(=O)C1=C(CN2CCC[C@H]2Cc2ccccc2)NC(=O)N[C@@H]1C 25440421 SAAXFIUAGUJFQO-ZBFHGGJFSA-N 357.454 2.212 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)O[C@H](C)C1 26991350 WVOSGMMLLMNESX-LZWOXQAQSA-N 350.484 2.174 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(C)c2)Oc2ccccc21 113946258 HOUDMKWMAGZFCR-SFHVURJKSA-N 374.462 2.229 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 22520474 MHVUHUKYAUQRGX-UHFFFAOYSA-N 373.434 2.437 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)C1 28084060 HOOYRFRADPXGPN-BBRMVZONSA-N 366.462 2.215 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccc2ccccc2c1 12794719 HRDFFDAMNPSELU-GUYCJALGSA-N 351.406 2.444 0 40 FEAB CC(C)CC(=O)N[C@@H](C(=O)N1CCCN(c2nccs2)CC1)C(C)C 48356441 VRIJLRWTGDJWGJ-MRXNPFEDSA-N 366.531 2.369 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(OC(F)(F)F)cc1 12899572 SRBJOIAPBQGFFC-UHFFFAOYSA-N 370.331 2.309 0 40 FEAB CN(C(=O)/C=C/c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 12944437 QPROWTUXSIESAG-URWSZGRFSA-N 358.257 2.108 0 40 FEAB O=C(/C=C/c1cccs1)NC(=S)N1CCN(c2ccccn2)CC1 18192695 BYHWLPUYYRPYRA-VOTSOKGWSA-N 358.492 2.380 0 40 FEAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccs3)c(=O)n2n1 6363599 QTKRQTIAHHHZGF-ZROIWOOFSA-N 369.427 2.353 0 40 FEAB CCN(Cn1nc(-c2cccs2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 14182429 BZVJHUCKJTUPKL-LLVKDONJSA-N 372.541 2.146 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1 18217656 NRWXPJJXNVQNJE-INIZCTEOSA-N 360.479 2.493 0 40 FEAB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H]1CCCOC1 96002020 ZHMOYFFDEOMRRQ-HUUCEWRRSA-N 353.488 2.483 0 40 FEAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 7278408 BVWXQQYJUULJSZ-LJQANCHMSA-N 369.446 2.100 0 40 FEAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(c2ccccn2)CC1 7736999 UYAVRSWKGFOTDE-HNNXBMFYSA-N 370.478 2.097 0 40 FEAB O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 19819488 PXVQQSYUHUYOAK-UHFFFAOYSA-N 363.417 2.354 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 9699449 OXCATGTYWARPBA-UHFFFAOYSA-N 354.472 2.108 0 40 FEAB COC(=O)C[C@H](NC(=O)CCCOc1cccc2ccccc12)C(=O)OC 72272743 BMCDBJNMIVRQLX-INIZCTEOSA-N 373.405 2.220 0 40 FEAB COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 79066782 UJHRNVYEFHJETL-OALUTQOASA-N 368.433 2.088 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1 9974092 VCQBXYJQSRVKQH-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408603466 KEOFGRFYQIVLSM-UHFFFAOYSA-N 368.499 2.258 0 40 FEAB COc1cccc(-c2cc3nc(C)cc(N4CCN(C(C)=O)CC4)n3n2)c1 35315435 QUFHRXXOWJPMCD-UHFFFAOYSA-N 365.437 2.382 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2)C1=O 409239373 MIBZLEVIZHIKGY-RVDMUPIBSA-N 351.362 2.227 0 40 FEAB COc1cc2c(cc1OC)[C@@H](NC(=O)CN1Cc3ccccc3C1=O)CC2 524732423 BMPIKGCZNKRZPB-KRWDZBQOSA-N 366.417 2.463 0 40 FEAB O=C(c1cc([C@@H]2CCCCN2Cc2cccnc2)n[nH]1)N1CCOCC1 72380499 COUIXUYZTWVOPV-SFHVURJKSA-N 355.442 2.004 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 72377773 VADOXSGIRQOIFN-OAHLLOKOSA-N 361.409 2.425 0 40 FEAB CC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(=O)c3ccccc3o1)CC2 70638356 GZMUPIIEAILFDX-UHFFFAOYSA-N 369.402 2.406 0 40 FEAB COc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)c(OC)c1 225878130 YACOCZFARSHLKL-UHFFFAOYSA-N 371.440 2.093 0 40 FEAB COCCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cn1 225926120 YLOQYKVTSXAOGE-UHFFFAOYSA-N 373.453 2.228 0 40 FEAB O=CN1CCN(C(=O)CCC(=O)N(c2ccccc2)c2ccccc2)CC1 199412574 YYPOMRPXCDAOQZ-UHFFFAOYSA-N 365.433 2.432 0 40 FEAB COc1cccc(OC)c1S(=O)(=O)NCCN1CCCC(C)(C)C1 331285690 NCGLGGKCNNDGRS-UHFFFAOYSA-N 356.488 2.104 0 40 FEAB Cn1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c([C@@H]2CCCNC2)n1 333900227 ZRGGYESGYZAGEH-CZUORRHYSA-N 360.483 2.162 0 40 FEAB Cc1ccoc1C(=O)N1C[C@@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 96241018 DXSYSDNHABYETC-INIZCTEOSA-N 369.421 2.491 0 40 FEAB O=C1C[C@H](Sc2nnc(-c3ccncc3)[nH]2)C(=O)N1c1ccccc1 256055366 DLLMTDMFKBZIAC-ZDUSSCGKSA-N 351.391 2.291 0 40 FEAB COCC(=O)N1CCC(Cc2cc(-c3cccc(C(=O)O)c3)ncn2)CC1 257285882 PJHOTGTVYSHRPA-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CC(C)Cc1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)n(C)n1 257264353 LUARDCJHRDAIQP-AWEZNQCLSA-N 357.458 2.233 0 40 FEAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)nc1 257218606 DDTVWJPELDEVQS-SFHVURJKSA-N 356.426 2.229 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257234953 GVTOLRIBAZKTJY-QLFBSQMISA-N 352.394 2.168 0 40 FEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)nc1 253600669 VNDNPNBGBFXVIA-OAHLLOKOSA-N 356.426 2.420 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257293017 QNUYDBXRDYDFBN-OAHLLOKOSA-N 350.426 2.381 0 40 FEAB Cn1cncc1CN1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 257268301 MLBGPZBEQSFFFK-ZDUSSCGKSA-N 370.486 2.260 0 40 FEAB O=C(CCc1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257267076 MFWYFCKVKOSSFH-INIZCTEOSA-N 358.454 2.375 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257223926 DZONTKWSCCYWGL-KRWDZBQOSA-N 351.472 2.127 0 40 FEAB C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NC(=O)CSCc1cccnc1 590367717 KQGYKYFOBDYDGW-QWHCGFSZSA-N 374.466 2.195 0 40 FEAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 635016328 LYPMPHRTOCPXIM-AWEZNQCLSA-N 367.243 2.070 0 40 FEAB C[C@@H](c1nccs1)N1CCN(C(=O)NCc2cccc(C(=O)O)c2)CC1 635526473 RTVVOYAYQRBGJS-ZDUSSCGKSA-N 374.466 2.430 0 40 FEAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1ccc2c(c1)CNC2 646990438 GQZZKCYWQIPTON-UHFFFAOYSA-N 363.465 2.356 0 40 FEAB C[C@H](NC(=O)NCc1nccc(C(F)F)n1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655879632 RFIYDVOOZSAQKV-LPEHRKFASA-N 356.373 2.349 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)NC[C@@H]2CCC3(CCCC3)O2)c1 656182138 QDMYSXBIFZTFKX-HNNXBMFYSA-N 353.440 2.296 0 40 FEAB O=C(Nc1cc2n(n1)CCCC2)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 667083404 ZIRLBBYDIZMUSS-CRAIPNDOSA-N 370.457 2.478 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2cc(N(C)C)ccn2)CC1=O 680258909 YZQAABCTVUFCER-ZDUSSCGKSA-N 354.410 2.148 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390826976 DEXODGZSSPMTKN-AWEZNQCLSA-N 369.418 2.401 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585278549 UMOVNDSXWMGLPR-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB CC(C)NC(=O)c1nc2c(o1)CCN(C(=O)c1ccc(N(C)C)cc1)C2 585112940 WZFQXMYGOCFTGN-UHFFFAOYSA-N 356.426 2.077 0 40 FEAB CO[C@H]1CCCN(C(=O)C2CCN(C(C)=O)CC2)[C@H]1Cc1ccccc1 585270954 CWKDPWDWBBRWIS-PMACEKPBSA-N 358.482 2.494 0 40 FEAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1ccc(OC(F)(F)F)cc1 952962949 MRKNEPUIWXYQAU-CYBMUJFWSA-N 351.346 2.335 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)NC4CCCC4)c(=O)n3c2c1 12181554 ZKHVGOAXRLTWTC-UHFFFAOYSA-N 354.410 2.025 0 40 FEAB O=C(CCn1cnnn1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19345742 TXVLFBPLYXZKEH-UHFFFAOYSA-N 357.414 2.153 0 40 FEAB CN1CC[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)S1(=O)=O 647382421 PTDAEIGWDUEFEK-JTQLQIEISA-N 363.317 2.342 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 36383796 XMBBJFSZONLQCO-UHFFFAOYSA-N 355.841 2.152 0 40 FEAB O=C(OCC(=O)N1CCCC1=O)c1ncc(Cl)c(Cl)c1Cl 4767000 BYPCALIUEOVZRK-UHFFFAOYSA-N 351.573 2.348 0 40 FEAB CCc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc(C)n1 1888843303 BSCAOCFAZFURBO-UHFFFAOYSA-N 352.364 2.483 0 40 FEAB Cc1noc(C)c1CN1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2)C1 1888875942 PRVXFKDJFIDZET-KRWDZBQOSA-N 363.483 2.328 0 40 FEAB COc1cc(NC(=O)Cc2ccc(F)cc2)ccc1NS(C)(=O)=O 33067310 XDHJMRFSTBLHPO-UHFFFAOYSA-N 352.387 2.387 0 40 FEAB CC1CCC(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 39192573 DWPPCIXRWPBFJB-MQBCKMQZSA-N 364.442 2.272 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 2037908877 CJRGTXLWMGHEHW-LJQANCHMSA-N 361.417 2.072 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1=O 2037985559 NUBDMEQNRPZOFY-HXUWFJFHSA-N 362.445 2.387 0 40 FEAB Cc1nc([C@@H]2C[C@H]3CN(C(=O)CCc4cncnc4)C[C@H]3O2)sc1C 1565542582 PDKKCIWFJUTVQU-HRCADAONSA-N 358.467 2.471 0 40 FEAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCCC1 4166647 IWCACWJCKMIGAH-UHFFFAOYSA-N 358.402 2.064 0 40 FEAB Cc1nnc2sc(SCC(=O)c3ccc(Cl)cc3)nn2c1=O 4347108 CEPQBGBSAPTMBY-UHFFFAOYSA-N 352.828 2.483 0 40 FEAB Cc1cccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1 9844437 ZWKAOPXMZQXKGD-UHFFFAOYSA-N 369.446 2.197 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cc(C)on2)C1 2055751201 UONZFJQGIYNEKN-HXUWFJFHSA-N 372.469 2.192 0 40 FEAB Cc1nc(CN(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)no1 1775971579 QYZAVVYBNZMLJF-UHFFFAOYSA-N 354.389 2.295 0 40 FEAB COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(C)(=O)=O)ccc21 100872836 UIUCBZCTFZIKQW-ICFOKQHNSA-N 370.496 2.226 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)on1 36662695 ZULWQLFPTYZXRZ-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB COCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2n[nH]c(=O)c-2c1 42380778 JKALKFKYRZNYAI-UHFFFAOYSA-N 374.828 2.296 0 40 FEAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CCc4nc[nH]c4C3)nc21 220551502 NIDYTCKWDIRVNO-ZJUUUORDSA-N 360.439 2.203 0 40 FEAB O=C(c1ccc(SC(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40039559 KSSRUMLIEUVOEK-CQSZACIVSA-N 370.421 2.465 0 40 FEAB COc1cc(S(=O)(=O)Nc2ccc(F)cc2)cc(C(=O)O)c1OC 45945875 LGPVWNHQLNGSTL-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)O)C(C)C)c12 2151850 WRIVCBXNXIDVNO-SFHVURJKSA-N 361.394 2.268 0 40 FEAB biogenic CCOC(=O)[C@](NC(=O)NCc1ccc(F)cc1)(OCC)C(F)(F)F 2311340 MGLKMINJYMQSHL-AWEZNQCLSA-N 366.311 2.483 0 40 FEAB Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 2664278 YPUJALCOZIYYQW-UHFFFAOYSA-N 372.830 2.309 0 40 FEAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 7050996 YEVFKRCUFBXIEG-UHFFFAOYSA-N 365.354 2.308 0 40 FEAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542803 MGZVLUGYLRQBGB-UHFFFAOYSA-N 350.484 2.054 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccco1 8180708 GEPCKZJZFKFQCN-UHFFFAOYSA-N 351.200 2.478 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CCCCC1 32999423 PDTWDPZZUKXNKK-UHFFFAOYSA-N 367.467 2.318 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 8481969 NKXGLLOBTXXVOA-GOSISDBHSA-N 357.435 2.222 0 40 FEAB CCN1CCOc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O 8961598 OGXFFGRXDXGKOQ-UHFFFAOYSA-N 352.437 2.403 0 40 FEAB COC(=O)c1ccc([C@@H](O)OC)c(NC(=O)COc2ccc(F)cc2)c1 2785331 QMUXDSAXSYBNOX-SFHVURJKSA-N 363.341 2.267 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(-n2cnnn2)cc1 23191394 DUQJMQJAGDMMMK-UHFFFAOYSA-N 351.366 2.020 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCN(Cc2ccsc2)CC1 23248996 LAUWPMMBJKEOMP-AWEZNQCLSA-N 364.515 2.023 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cccs2)CC1 47533421 XLGBDGZKHRHJNR-UHFFFAOYSA-N 353.488 2.421 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O 108526507 IKQNUJGJYSGJMS-HXUWFJFHSA-N 353.470 2.220 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2ccccc2Br)cn1 12534638 OZJTUKNISZIEQU-UHFFFAOYSA-N 364.199 2.221 0 40 FEAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1S(N)(=O)=O 29509169 OJCXDLZFHCMCBW-SNVBAGLBSA-N 368.842 2.487 0 40 FEAB CN(C)c1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101094042 NMTLANMRBIWXBV-ZEABNWQDSA-N 351.834 2.199 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)c1cc(F)ccc1-c1ccccc1 56677139 PVYPHYRNZYBWNY-UHFFFAOYSA-N 356.397 2.471 0 40 FEAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57426465 QBRLFECCCVONDO-UHFFFAOYSA-N 367.789 2.193 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1nnc2n1CCCCC2 48129575 WTCHILZWDWWPTA-UHFFFAOYSA-N 365.437 2.336 0 40 FEAB CC(C)NC(=O)C1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 58198223 WCCNNMQSAOTAPT-CQSZACIVSA-N 363.527 2.258 0 40 FEAB CCCC[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 2108240 ZXOHMCLAHRPJCP-HNNXBMFYSA-N 361.394 2.499 0 40 FEAB biogenic Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)s1 3322387 FIRMVPNGDYCRJF-UHFFFAOYSA-N 353.469 2.375 0 40 FEAB CC(C)(C)c1cccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1 12757384 UEMIQJXXTKLHRS-UHFFFAOYSA-N 374.418 2.282 0 40 FEAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1cnccn1 2457383 AVRRCVHBNUQKAU-OXQOHEQNSA-N 374.485 2.325 0 40 FEAB C[C@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1 48374029 RQERMNGMUJDISH-LBPRGKRZSA-N 355.369 2.493 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1Br 3618137 LVZIKYLFCVTRBD-UHFFFAOYSA-N 359.183 2.193 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)N1CCCC1 14239209 MDODVZHGIIQBBH-CZUORRHYSA-N 364.417 2.134 0 40 FEAB COc1cccc(C[C@@H](C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)c1 5485660 IDYSMPBJLXBVSI-MRXNPFEDSA-N 353.382 2.182 0 40 FEAB CC(C)n1nccc1NC(=O)COC(=O)c1cc(Br)c[nH]1 14643281 VNIROQXGXMDOBW-UHFFFAOYSA-N 355.192 2.350 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20109014 FLACBGMIBHMLFN-CQSZACIVSA-N 372.421 2.477 0 40 FEAB O=C(NC1CCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 67126432 VAMWDHZDDJFFPM-SJORKVTESA-N 353.422 2.319 0 40 FEAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7242406 QDJGKUVECFAEJC-GFCCVEGCSA-N 359.451 2.262 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 7312539 QLFQFSXAKRHVPS-UHFFFAOYSA-N 367.405 2.302 0 40 FEAB Cc1ccc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 16207107 PQPAZRKVZBFZHS-UHFFFAOYSA-N 351.358 2.326 0 40 FEAB CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251735 ZVOXJIMNAULYOT-LLVKDONJSA-N 358.460 2.018 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CC(C)(C)C)CC1 71872658 JTZRFFIBGSHMAN-UHFFFAOYSA-N 359.536 2.076 0 40 FEAB CCOc1cccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 20460863 BUOXCZITRJINMT-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB COc1cc(CNC(=O)Nc2ccc3[nH]nnc3c2)cc(OC)c1OC 79110509 VRKPRBFFMSVKQS-UHFFFAOYSA-N 357.370 2.305 0 40 FEAB CCn1cc(S(=O)(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)cn1 95428144 GRNQCHWWOAVGPX-UHFFFAOYSA-N 363.317 2.421 0 40 FEAB C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nncn1C 75110015 JMJPUYWATSCLKX-YNEHKIRRSA-N 366.466 2.011 0 40 FEAB O=S(=O)(c1ccccc1F)N1C[C@@H]2OC[C@H](CCOCC3CC3)[C@@H]2C1 306139753 TZJJQCDLMZJBFM-ZOBUZTSGSA-N 369.458 2.278 0 40 FEAB CCn1cc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cn1 36621320 NYAXZXBKSONYJO-RCBQFDQVSA-N 351.414 2.153 0 40 FEAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1cc(Br)cn1 32609632 CYOQRXJGPYORTQ-SECBINFHSA-N 352.188 2.252 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1 71281922 RZUNKQDOONECFE-LLVKDONJSA-N 372.450 2.167 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2cccc(F)c2)c1 32319409 XPWOWOLUDYYTLG-UHFFFAOYSA-N 368.430 2.097 0 40 FEAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2-c2ccncc2)on1 72342340 OBQKKCZTWLJXBK-UHFFFAOYSA-N 364.409 2.204 0 40 FEAB COc1cccc(C(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCCC3)c1 72324996 YLWPVOAYUNUROT-AWEZNQCLSA-N 355.438 2.339 0 40 FEAB COCCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290533 KXHYUAOJPUDZPQ-CYBMUJFWSA-N 354.410 2.355 0 40 FEAB CO[C@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4 13374246 NOAOQFJXKUUYHO-ZPWHCFADSA-N 372.373 2.332 0 40 FEAB biogenic Cc1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c(C)c1 44241763 MKPDCTCDCHCMFJ-UHFFFAOYSA-N 370.526 2.202 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccs2)c(OC)c1 225126017 BKEROSYPXRDPHO-UHFFFAOYSA-N 357.409 2.045 0 40 FEAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C(N)=O)c1 226853122 OHPFFLFHODVOFS-CYBMUJFWSA-N 350.378 2.377 0 40 FEAB CC(C)(C)CC(C)(C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 223841542 ZUJSMWBXJDOLCU-UHFFFAOYSA-N 352.456 2.162 0 40 FEAB CS(=O)(=O)C1(C(=O)N2CCCN(c3ccccc3Cl)CC2)CCC1 575797517 RWUBXUMSLMIMPW-UHFFFAOYSA-N 370.902 2.346 0 40 FEAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C(=O)C3CC3)C2)C1 577052308 NBLIEBCSNSXNKM-YJBOKZPZSA-N 356.470 2.043 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96263455 AFPXLWKZKAUDBA-UHFFFAOYSA-N 366.483 2.012 0 40 FEAB O=C(c1ccncc1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96217237 QXLMMALCZOBDFC-ICSRJNTNSA-N 353.422 2.457 0 40 FEAB COCCN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O 96269154 BIAQKVFBWUMDIP-CQSZACIVSA-N 373.375 2.153 0 40 FEAB biogenic,in-vitro Cc1occc1C(=O)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048522 LVKBHOCCZFKDGJ-KSSFIOAISA-N 360.389 2.393 0 40 FEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 245228474 ZQOYENGUZKRDDH-XAYKYTGQSA-N 362.451 2.319 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247864569 OAFYTHLJKPWCRO-INIZCTEOSA-N 370.428 2.278 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2CN(C)C)n1 257303643 SIATUPUYRFFXML-QGZVFWFLSA-N 356.474 2.105 0 40 FEAB Cc1nn(C)cc1C(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257216784 CWAQGGLVIBNVCV-ICSRJNTNSA-N 355.438 2.319 0 40 FEAB CN1C(=O)C[C@H](C(=O)N[C@H]2CCCc3c2cnn3C)[C@@H]1c1cccs1 253390002 OHDSCTPUHQZEOS-PLQHRBFRSA-N 358.467 2.195 0 40 FEAB CCn1cc(CN2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)c(C)n1 257224154 FANNEJZVWBLHBP-AWEZNQCLSA-N 351.476 2.065 0 40 FEAB O=C1C[C@H](C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CN1Cc1ccco1 614844364 RJGJQSKPZYYRKR-GXTWGEPZSA-N 374.359 2.198 0 40 FEAB CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)N(C)C)cc1 659492742 JCJUUYRDJKVVQZ-KZNAEPCWSA-N 366.481 2.157 0 40 FEAB CN(C)CC[C@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 653090087 DWBKQYHSWZACSU-AWEZNQCLSA-N 355.364 2.109 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 43948663 LFTAFURTKCJYLZ-APWZRJJASA-N 372.494 2.305 0 40 FEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCO[C@H]2CCC[C@@H]21 54449108 AMBXBQOKAPEZOE-OALUTQOASA-N 359.470 2.347 0 40 FEAB CN(C)C(=O)COc1cccc(C(=O)OCc2nc3ccccc3[nH]2)c1 54896329 JKFZULONBLMTPL-UHFFFAOYSA-N 353.378 2.387 0 40 FEAB CN1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 78739064 RLHKCWUDIPZUDJ-HXUWFJFHSA-N 365.477 2.238 0 40 FEAB COCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 6260378 WYAQRFPTOXCANY-HOCLYGCPSA-N 366.458 2.248 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c1 5242179 XDJGQIHTVBSNJQ-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB NC(=O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 12042851 AQMIYQJOSHOWFB-UHFFFAOYSA-N 360.435 2.365 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(F)ccc1F 14867749 QIUGOVMQBNWJSI-UHFFFAOYSA-N 361.391 2.478 0 40 FEAB CC(C)n1cc(C(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cn1 19454857 RFTVFDMXXUCXKB-UHFFFAOYSA-N 367.453 2.481 0 40 FEAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526763 CZIQQKVBXUCIGS-MXTNKPTQSA-N 372.465 2.397 0 40 FEAB CC(=O)N1CCN(C(=O)NCCC[C@H]2CCOC2)CC12CCCCC2 653252620 IESSTUWXULZQLK-KRWDZBQOSA-N 351.491 2.380 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3345662 KXNLKNRDCSUVEO-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB COc1cncc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1206997259 WQWUXPNVVTYOID-UHFFFAOYSA-N 367.449 2.488 0 40 FEAB COCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889118443 UUAADESDPCRIRV-UHFFFAOYSA-N 374.457 2.201 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC(CNc2ncc(Cl)cn2)CC1 1775995976 PJEUZLKTZNUSKD-UHFFFAOYSA-N 367.862 2.038 0 40 FEAB CN(C1CN(c2ncnc(-c3ccccc3)c2F)C1)[C@@H]1CCCCNC1=O 1776001821 MVYUNWRLYBGLQK-MRXNPFEDSA-N 369.444 2.072 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3C[C@H]4CC=CC[C@H]4C3)C2=O)cc1 12417822 FTJJJXLDIWIXET-HLLBOEOZSA-N 354.406 2.003 0 40 FEAB Cc1ccc([C@H](CNS(=O)(=O)Cc2ccccc2)N2CCOCC2)o1 40017360 GEWIUFINNCKSFJ-KRWDZBQOSA-N 364.467 2.081 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 40074189 HEWSUBUOTJQPFS-KRWDZBQOSA-N 364.449 2.351 0 40 FEAB O=C(C1CC1)N1CCC(C(=O)N2CCN(Cc3ccccc3F)CC2)CC1 40160110 QXSZLEIJLFLPSG-UHFFFAOYSA-N 373.472 2.119 0 40 FEAB COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)ccc1Cl 100179422 ATODAEUNOWKXRM-OSLDLMBLSA-N 361.781 2.350 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccnc1-n1cccn1 31227482 MTUOZZCENAEUJV-DYVFJYSZSA-N 350.378 2.112 0 40 FEAB Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C 20375708 OXIWMJKTWKJCSB-UHFFFAOYSA-N 354.454 2.468 0 40 FEAB Cn1ncc2c(SCC(=O)N3CCC(c4ccccc4)=N3)ncnc21 11682770 ANPXKGPPLGGBSJ-UHFFFAOYSA-N 352.423 2.092 0 40 FEAB C[C@H](NC(=O)CN(C)Cc1ccccc1N1CCOCC1)c1ccco1 16424713 HXCKSEIYJPJIJO-INIZCTEOSA-N 357.454 2.425 0 40 FEAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cc(O)nc2nc(-c3ccccc3)nn12 17746390 DWEBSVBOSHMPIB-CHWSQXEVSA-N 363.377 2.177 0 40 FEAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N(C)C)CC1 1340228 AKJRUNIJMQFRSG-UHFFFAOYSA-N 374.510 2.475 0 40 FEAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 4352338 KGZTZCDKXNYJMY-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB COc1ccc(C)cc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1 4964746 LDHFGKLFFGYJCC-UHFFFAOYSA-N 362.455 2.417 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O 7579559 UJMNFUBYOHWWHA-LJQANCHMSA-N 370.336 2.204 0 40 FEAB CCN(CC)C(=O)N1CCN([C@@H](C)c2nc(-c3ccncc3)no2)CC1 32928715 DJRPFKUQQBBMMA-AWEZNQCLSA-N 358.446 2.272 0 40 FEAB Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)c(C)c1 8476470 BTWVXGAUURLEJO-UHFFFAOYSA-N 354.385 2.412 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 21972540 PHHWJIXVVLOGIY-OAHLLOKOSA-N 350.484 2.487 0 40 FEAB COc1ccccc1CN(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 52737694 GCAAFTOOWSQSFQ-UHFFFAOYSA-N 373.453 2.298 0 40 FEAB COc1ccc([C@H]2CCCCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57373553 VLSYWIROWHABRO-GOSISDBHSA-N 357.454 2.210 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(NCCc2cccs2)s1 9515517 RGZABPBPSAFQHQ-QMMMGPOBSA-N 371.513 2.190 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)c2c[nH]c3ccccc23)cc1OC 12297083 NINJKHYHLUZVHX-UHFFFAOYSA-N 367.405 2.345 0 40 FEAB biogenic COC(=O)c1ccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)cc1 12389876 UCEVFCAEBJMZLD-UHFFFAOYSA-N 357.757 2.355 0 40 FEAB O=C(O)c1nnc2sc(-c3cccc(I)c3)nn12 57338971 HJSDQNDCLCIVEU-UHFFFAOYSA-N 372.147 2.156 0 40 FEAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 55401929 KBOSIPKOOZNNNK-HUUCEWRRSA-N 356.470 2.092 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCC2(CC(Nc3ncccn3)C2)C1 108524815 OOFOCZGFYDIJEP-UHFFFAOYSA-N 358.467 2.273 0 40 FEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCc2cc(Cl)ccc21 55739142 KXDCKNXPGUADAH-OAHLLOKOSA-N 369.808 2.147 0 40 FEAB Cc1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 107255143 DRNQKIVIWPDGCW-SJORKVTESA-N 359.499 2.420 0 40 FEAB Cc1ccc(NC(=O)C2CCN(CC(=O)NCc3cccs3)CC2)nc1 58178484 XNSOHGNJOZGRBX-UHFFFAOYSA-N 372.494 2.418 0 40 FEAB COc1cccc(C(=O)OCC(=O)N2CCc3ccccc3C2)c1OC 3269437 DYEKVIXFEVGAKV-UHFFFAOYSA-N 355.390 2.446 0 40 FEAB Cc1noc(C)c1COC(=O)c1cccc(N2CCCS2(=O)=O)c1 21833231 VGQAHLXGXOGWDX-UHFFFAOYSA-N 350.396 2.188 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C)c(O)c(C)c1 28924224 VQFMCZFCEVBRJL-LJQANCHMSA-N 353.422 2.346 0 40 FEAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 69343115 XLCNNVPOLQZRTC-ZJUUUORDSA-N 367.876 2.181 0 40 FEAB COc1cc(CNC(=O)[C@H](C)NC(C)=O)ccc1OCc1ccccc1 12739878 GKAMYBVMFWASAL-AWEZNQCLSA-N 356.422 2.415 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 48374729 OHTJIOXCAGRDPQ-MRXNPFEDSA-N 373.453 2.093 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCCc1nccn1Cc1ccccc1 48324626 BHANPKLRJLWEEM-MRXNPFEDSA-N 368.481 2.285 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)CO[C@H]1CCCc2ccccc21 12918477 DLSOZCGLMYHSBJ-YSHGAJCASA-N 355.434 2.393 0 40 FEAB C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 28223595 FJJQQKCBVXHQDG-HOTGVXAUSA-N 350.484 2.346 0 40 FEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1nnc2ccccn12 23644937 BREWFADOQMWYIM-UHFFFAOYSA-N 354.458 2.448 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2OC)c1 63183147 JWTUOZUZODLAHK-UHFFFAOYSA-N 353.371 2.099 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCc2ccccc21 6005293 KZECXHCCEJDMJC-UHFFFAOYSA-N 373.430 2.145 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)n2)cc1OC 5038664 GSNUUYNTCOJQKB-STQMWFEESA-N 359.430 2.147 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 4249347 AUEACVBRCUCHNU-AWEZNQCLSA-N 373.501 2.342 0 40 FEAB C[C@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C 14139137 DVRUSVGGFFTHTP-QMMMGPOBSA-N 363.468 2.365 0 40 FEAB CCOC(=O)c1cnn(-c2cc(Nc3c(F)cccc3F)ncn2)c1N 8715312 LRXKHEXRSRYASB-UHFFFAOYSA-N 360.324 2.443 0 40 FEAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CCS(=O)(=O)C2)o1 6810290 VLLQYUQBFFXFFK-OAHLLOKOSA-N 363.435 2.183 0 40 FEAB CCCNC(=O)NC(=O)CSc1nnc(NCc2ccccc2)s1 4997344 JUNRTVNDDXGUCO-UHFFFAOYSA-N 365.484 2.478 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)n(C)c1 8881899 FWXADLNVVAUFEX-UHFFFAOYSA-N 365.455 2.317 0 40 FEAB O=C(O)c1ccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)cc1 15869157 QHIJCAHVLMRUAZ-UHFFFAOYSA-N 358.354 2.475 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCC3)c1 16058966 MQDJYWMHHBAWHQ-UHFFFAOYSA-N 373.430 2.374 0 40 FEAB Cc1ccc(SCCC(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1C 7764065 CAHFWIMDSUTNFX-CYBMUJFWSA-N 350.440 2.269 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(-n2cnnn2)c1 9725651 IFILFJLJRXHCMJ-UHFFFAOYSA-N 371.784 2.268 0 40 FEAB Cc1cccc(Oc2ncccc2N2C[C@H]3CS(=O)(=O)C[C@H]3C2=O)c1C 84219208 BQAWZUXEDFZUGO-LSDHHAIUSA-N 372.446 2.498 0 40 FEAB O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1cccc(F)c1 97164869 HPMSTVAVWNNNHO-UHFFFAOYSA-N 371.191 2.432 0 40 FEAB CCN(CCC1CCN(C(=O)NCc2nnc3n2CCC3)CC1)CC1CC1 95457479 LTLSETOUULDXKI-UHFFFAOYSA-N 374.533 2.268 0 40 FEAB O=C(Cc1cn2ccccc2n1)N1CC(n2cc(-c3ccccc3)nn2)C1 95997995 XUTVPSSMGSICOE-UHFFFAOYSA-N 358.405 2.219 0 40 FEAB Cc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306139175 SRJZGILOTGNQFC-DLBZAZTESA-N 353.470 2.029 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C)CC1 408705943 QULSJDJAOJHLDR-UHFFFAOYSA-N 352.456 2.008 0 40 FEAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 306139418 SWTRCZTWCUHFLC-GOSISDBHSA-N 364.453 2.259 0 40 FEAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)Cc1ccon1 548362796 RISRFLGODSNEQD-JSGCOSHPSA-N 352.435 2.053 0 40 FEAB CC(C)(C)c1nc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)no1 36735365 NARYJUUDLSKMFS-SECBINFHSA-N 372.472 2.020 0 40 FEAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218563436 MFRGDFDKSSEPGS-YQQAZPJKSA-N 355.525 2.459 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 72393905 OMIUYGRTFITIMP-HNNXBMFYSA-N 365.437 2.321 0 40 FEAB Cc1c(CN2CCc3c(O)nc(N4CCC(C)CC4)nc3C2)cnn1C 72335638 BJTYQQJXCNLDOJ-UHFFFAOYSA-N 356.474 2.019 0 40 FEAB Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 217760959 LNVYUHCXTCGDCI-GJZGRUSLSA-N 356.422 2.045 0 40 FEAB COc1ccc(-c2noc(CN3CCN(C(=O)C(C)C)CC3)n2)c(OC)c1 49590355 ZRAWJGXDBICSDM-UHFFFAOYSA-N 374.441 2.054 0 40 FEAB CN(C[C@@H]1CCCN(Cc2ccc(C(=O)O)c(Cl)c2)C1)S(C)(=O)=O 569238047 OHMQVYZSULQLHS-ZDUSSCGKSA-N 374.890 2.142 0 40 FEAB O=c1c2c(ncn1Cc1coc(-c3ccc(Cl)cc3)n1)CCNCC2 569573795 YBFNFFDXMOERJA-UHFFFAOYSA-N 356.813 2.288 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 223291111 XGCVBFSGCKZOJX-LFYBBSHMSA-N 374.418 2.033 0 40 FEAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)[C@H]1CCCO1 77191995 WXHADFNIBKVFPN-VBROQKIQSA-N 373.434 2.452 0 40 FEAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21 1592326237 WDTODHUITSDOAC-PSLIRLAXSA-N 351.414 2.114 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436096 KNWBJGJVDPCVKL-MRXNPFEDSA-N 363.845 2.081 0 40 FEAB biogenic,in-vitro O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 96245404 QQRUZPDQQIKIFA-IRXDYDNUSA-N 358.463 2.145 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(C(C)=O)C2 96056001 JDXJYVIXNTUACX-WMZOPIPTSA-N 350.484 2.372 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96228170 WWTXKBFJXNPUOE-UHFFFAOYSA-N 352.438 2.218 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(CCN(C(=O)N3CCOCC3)C2)C1 96216104 YENDUARMUHNHTP-IBGZPJMESA-N 362.474 2.032 0 40 FEAB Cc1nc(C(=O)NCCCN2CCOCC2)c(Cc2ccccc2)s1 95480758 DFHLBDIOJIMYGO-UHFFFAOYSA-N 359.495 2.494 0 40 FEAB O=C(N1CCCC1)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106710 YUPLEIJDZZOKPT-KRWDZBQOSA-N 352.475 2.269 0 40 FEAB O=C(C1CCC1)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244299 YLYLHYVDOPHZFX-FQEVSTJZSA-N 350.422 2.339 0 40 FEAB CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101368 XUDVSBBARMDEJE-RIFZZMRRSA-N 373.453 2.188 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)[C@H]1COc2ccccc2O1 244970218 HOJHTPCCEMXFIZ-CKEIUWERSA-N 355.394 2.123 0 40 FEAB O=C(CCc1ccccc1C(=O)O)Nc1cccc(N2CCNC2=O)c1 537472800 WXKBIUICTFRGKO-UHFFFAOYSA-N 353.378 2.486 0 40 FEAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257199940 ABIXNZREIZUBDQ-CQSZACIVSA-N 364.471 2.024 0 40 FEAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)c1 257311645 UKLJEPZTVLLXFB-GOSISDBHSA-N 355.394 2.374 0 40 FEAB Cc1cc(CN=c2nc(C3CCCC3)[nH]c(=NCc3cc(C)no3)[nH]2)on1 585139178 HBBLZIFYIBSVJY-UHFFFAOYSA-N 369.429 2.190 0 40 FEAB CCCc1ccc(S(=O)(=O)N2CC[C@@]3(COCc4cncnc43)C2)cc1 253607571 JVVUSRPRGUWJOZ-IBGZPJMESA-N 373.478 2.292 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC=C(c3ccco3)C2)o1 289055176 NJYGBEVVYWLURI-UHFFFAOYSA-N 350.396 2.052 0 40 FEAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(CC(=O)NC)CC2)cc1 280633903 HNMFYLDXNJGDBB-ZWKOTPCHSA-N 359.470 2.499 0 40 FEAB COc1cccc(CN(C)c2nnc(-c3cn[nH]c3)n2C[C@@H]2CCOC2)c1 625174801 YIBCWEZRIPYGJF-HNNXBMFYSA-N 368.441 2.350 0 40 FEAB CCCC[C@@H](C)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 627827142 RANNFDQYHUFJKI-MRXNPFEDSA-N 366.527 2.360 0 40 FEAB Cc1ccc(C(=O)NC2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1 631439619 XKNFWSBYBKZFBB-UHFFFAOYSA-N 360.845 2.141 0 40 FEAB Cc1ccccc1C(=O)N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 585100943 JPDXYTNJETZXFU-HXUWFJFHSA-N 352.438 2.388 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCNC(=O)C(Cl)(Cl)Cl)cc1 585655934 XBZHKDNJHGURIW-UHFFFAOYSA-N 373.689 2.150 0 40 FEAB CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(CC1CCCCC1)CC2 585100134 GLYIRPXXXDZPOV-IBGZPJMESA-N 370.559 2.458 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/c2cnc[nH]2)C[C@]12C[C@@H](c1ccccc1)CO2 585288385 YQGGZRADNDQSGX-MDRBYLPWSA-N 353.422 2.223 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2ccc(F)cc2)CCN1c1ccccc1F 78671040 HDDJGCOFFCWCKH-CQSZACIVSA-N 352.362 2.049 0 40 FEAB COCc1ccccc1S(=O)(=O)N1c2cccc(C)c2C[C@@H]1C(=O)O 630433547 RHZPPJVHRBTYJK-MRXNPFEDSA-N 361.419 2.346 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2F)C1=O 5450055 VNYIHLZASRFQFR-LJQANCHMSA-N 372.352 2.400 0 40 FEAB C=COCCNC(=O)Cn1ncc2c3oc(C)cc3n(C(C)C)c2c1=O 12183721 KGYJJZRFUPHMEL-UHFFFAOYSA-N 358.398 2.110 0 40 FEAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(S(N)(=O)=O)cc1 12520286 YQBLALPOWFXZAO-GFCCVEGCSA-N 370.434 2.215 0 40 FEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1nccs1 14137330 VQNPSNYUZRBZKT-UHFFFAOYSA-N 366.196 2.074 0 40 FEAB CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 19533038 VNRINMIPRKXHCR-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB COc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)CCO3)CC1 19571199 HJVWBJGDYVJFAT-LJQANCHMSA-N 354.450 2.486 0 40 FEAB C=Cn1cc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 19584186 GSTLAHMNKYZHRM-HNNXBMFYSA-N 360.483 2.470 0 40 FEAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN3CCC[C@H]3C2)CC1 19745339 FJCYHBYVCHLSOY-FQEVSTJZSA-N 369.509 2.164 0 40 FEAB Cn1nccc1C(=O)C1CCN(C(=O)CCn2ncc3ccccc32)CC1 12337206 SSCCLFJYQPPOJC-UHFFFAOYSA-N 365.437 2.281 0 40 FEAB CCc1cc(N2CCN(c3ncc(Br)cn3)CC2)nc(C)n1 1888843277 VUHUOKCDBLCHLM-UHFFFAOYSA-N 363.263 2.227 0 40 FEAB COc1cccc2cc(C(=O)NCC3(O)CSCCSC3)oc12 1888870266 SNAHUJVXJYBQKT-UHFFFAOYSA-N 353.465 2.382 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1166020133 KNXFWOGRNUZNMG-HZPDHXFCSA-N 370.478 2.111 0 40 FEAB O=C(C1CCOCC1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984745 MJLIEBJMCDOXIC-OAQYLSRUSA-N 372.465 2.228 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3ccccc3)C2)C1 1565545999 QGURWUWWHCICJG-PXCRPINLSA-N 356.466 2.024 0 40 FEAB O=C(NCc1ccccc1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065594 NTDQPUCGSBDHAH-OAHLLOKOSA-N 367.405 2.268 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 10331181 SRPLQEXKOPQLGV-ZDUSSCGKSA-N 365.817 2.299 0 40 FEAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2ccccc2)CC1 2055745507 FLXNDXJWRKVONO-UHFFFAOYSA-N 374.510 2.352 0 40 FEAB COC1(CC(=O)N2CCC[C@]3(COCCN(c4cccnc4)C3)C2)CCC1 2055816030 DVDVCFWHDXZXOJ-HXUWFJFHSA-N 373.497 2.486 0 40 FEAB COc1ccccc1-c1ccc(=O)n(C2CN(c3ncc(Cl)cn3)C2)n1 1775974873 VAZNZCLGEOUGOK-UHFFFAOYSA-N 369.812 2.424 0 40 FEAB C[C@@]1(NC(=O)CCc2cccc(Br)c2)CCS(=O)(=O)C1 73061444 SIDYPVRSAFDHDD-CQSZACIVSA-N 360.273 2.075 0 40 FEAB CCC(CC)[C@H](CNC(=O)c1cc2ccccc2[nH]c1=O)N1CCOCC1 40051067 QYQTVBXZIOPNEK-IBGZPJMESA-N 371.481 2.395 0 40 FEAB O=C(Nc1cccc(O)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32101595 JPVVGCFIOFZWFM-GFCCVEGCSA-N 354.362 2.155 0 40 FEAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 7708293 CNAIJHZHBSPALQ-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB O=C(COC(=O)c1cccs1)NC(=O)c1ccc(OC(F)F)cc1 2644061 JGSAUUQDVISFPM-UHFFFAOYSA-N 355.318 2.463 0 40 FEAB CC(C)(C)c1nn2c(SCC(=O)Nc3ccccc3)nnc2nc1O 4251426 OZSWNIOHCOXFOS-UHFFFAOYSA-N 358.427 2.253 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 102325925 VCJCQZXLKHQWJE-CAMMJAKZSA-N 370.449 2.285 0 40 FEAB O=Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 6407931 ZNSZNGJPRAWFCQ-UHFFFAOYSA-N 352.390 2.005 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O 6679009 KAEIEKSVERFYDI-UHFFFAOYSA-N 361.467 2.251 0 40 FEAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCNC(=O)c1cnccn1 7871445 RQEYPJIBGZJMCD-DUXPYHPUSA-N 365.220 2.343 0 40 FEAB CC(C)[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC(N)=O 22580179 NNACFRVVMQNEMD-SNVBAGLBSA-N 353.835 2.437 0 40 FEAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CCCO)o1 23583393 XSCXTNRHNNJFQD-UHFFFAOYSA-N 374.418 2.451 0 40 FEAB C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2nncs2)C1 47631974 IBNLFMBBWPJRST-OLZOCXBDSA-N 365.503 2.026 0 40 FEAB CCOc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2cnn(C)c2)C(C)C)cc1 24471822 QRKKVFBDFQMGGQ-SFHVURJKSA-N 372.469 2.232 0 40 FEAB O=C1C[C@@H](C(=O)NCc2ccc(-n3cccn3)nc2)c2ccc(F)cc2N1 12522122 VZLISCVWGSDHRD-OAHLLOKOSA-N 365.368 2.149 0 40 FEAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CN2CSCC2=O)c1C 55492901 CEKORHZVNKPERR-UHFFFAOYSA-N 372.494 2.289 0 40 FEAB CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 113970060 AMTULHCKMGFGBY-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1F 56099902 LEKPXXUEQNTCJA-GFCCVEGCSA-N 370.837 2.216 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](C(=O)N(C)C)C3)cccc2c1 57265150 CYJVBLLRCVMJAI-OAHLLOKOSA-N 361.467 2.032 0 40 FEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C[C@@H](C)O1 16229171 HLCZTLRNWUVAGV-BETUJISGSA-N 364.423 2.330 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 57778175 ATKNKOOQOWJYBX-UHFFFAOYSA-N 361.419 2.481 0 40 FEAB COC(=O)c1sc(NC(=O)CCN2CCCC2)c(C(=O)OC)c1C 10035371 FXZJPRCAXXKSIQ-UHFFFAOYSA-N 354.428 2.054 0 40 FEAB Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccoc2)N2CCCC2)cc1 58370627 ZAPBWDWPCRFEJQ-SFHVURJKSA-N 355.438 2.271 0 40 FEAB Cc1ccccc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 10833734 MPTFAFYIIPROSR-HNNXBMFYSA-N 362.451 2.216 0 40 FEAB CC[C@H](CO)NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2425515 GOSIGVNANJMKIC-OAHLLOKOSA-N 351.406 2.101 0 40 FEAB CC(C)(C)c1nc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)no1 48260843 SCZBFSOAFZOKQZ-UHFFFAOYSA-N 372.469 2.456 0 40 FEAB CC(C)Oc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cn1 48353715 WOBMYKMUKVVUID-UHFFFAOYSA-N 369.421 2.301 0 40 FEAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccnc1OC 12823766 NYZCEGZZYGJQHZ-UHFFFAOYSA-N 358.423 2.441 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 3522523 GHBMRIQTJPXOIF-LLVKDONJSA-N 362.455 2.304 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nnc2ccccc21 12903344 ZHQZSPDDYZATOY-UHFFFAOYSA-N 360.421 2.335 0 40 FEAB C[C@@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 12975905 BHHYODMOLHNQFL-RNODOKPDSA-N 355.438 2.242 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 12984207 AABALSYMEYOGJS-UHFFFAOYSA-N 365.282 2.076 0 40 FEAB CCc1ccc(S(=O)(=O)NCc2nc(-c3cccnc3)no2)s1 78624069 QUTTUJBXAULORJ-UHFFFAOYSA-N 350.425 2.234 0 40 FEAB O=C(CCc1ccccc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13686015 PJWQMXBNHIPIAJ-UHFFFAOYSA-N 373.416 2.358 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1 112543659 BIRCVMIMKOFNFQ-SFHVURJKSA-N 369.465 2.372 0 40 FEAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H]2CCCN2C(N)=O)cc1 81957080 QPUPKVZXXOZJRE-MSOLQXFVSA-N 359.470 2.088 0 40 FEAB C[C@@H](Sc1nnnn1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 8313815 YUQHVRUPFGGVLE-SNVBAGLBSA-N 372.454 2.253 0 40 FEAB CCn1cc(C(=O)OCn2nnc3ccccc32)c(=O)c2ccc(C)nc21 13844145 OLHNAELMNOFGHI-UHFFFAOYSA-N 363.377 2.284 0 40 FEAB Cc1cc(N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)nc(N)n1 5242050 ZUZUNJHJPBEUQO-AWEZNQCLSA-N 355.295 2.372 0 40 FEAB COc1cc2nc(NN)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OC 408712813 UACZSFOPEGDABL-UHFFFAOYSA-N 360.801 2.401 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 14092786 UFMULZQQOFHFHR-OKILXGFUSA-N 360.483 2.216 0 40 FEAB COc1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 14138828 JJYPTMASIBIQOE-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 408831966 IBFMLEZMNLYGDE-UHFFFAOYSA-N 351.859 2.433 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)c1nn(C)c(=O)c2ccccc12 6652057 OWHLXWOLAKDLLF-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB COc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 67504226 OQNRSQWLMWUTFS-HOTGVXAUSA-N 374.462 2.231 0 40 FEAB CN(C)c1ncccc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 67806884 LUTZMYNJCYBGAH-KRWDZBQOSA-N 368.437 2.195 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccncc1 8752572 HXMRCODQFQHDEZ-UHFFFAOYSA-N 365.480 2.248 0 40 FEAB CCn1nnnc1SCc1nnc(-c2ccc(Br)o2)o1 8939371 FTFNWFXSBKVRJS-UHFFFAOYSA-N 357.193 2.391 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 9049139 ATZPBXJGBNVUOL-UHFFFAOYSA-N 357.391 2.273 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C)c1C(=O)OC 9338368 AHQVEYBSUUOKHX-UHFFFAOYSA-N 369.420 2.431 0 40 FEAB O=C(Cc1ccccc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819764 BZQLHGVFVXBYTD-SFHVURJKSA-N 368.433 2.148 0 40 FEAB CCOC(=O)C1=C(CSc2ncnc3sccc23)NC(=O)N[C@H]1C 9789383 FUFBJZCYDUMFDQ-QMMMGPOBSA-N 364.452 2.302 0 40 FEAB Cc1[nH]cnc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 78976440 QSCXXJJRNCAVCH-UHFFFAOYSA-N 371.466 2.454 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1=O 95963542 QVWPSQAPSLUQHD-BXKDBHETSA-N 373.236 2.413 0 40 FEAB CCn1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)cn1 74974799 SQVDIBOENZHQDB-ZDUSSCGKSA-N 357.439 2.400 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccncc1)c1ccccc1F 113964743 WNZQVPWJRQSQBP-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCO[C@@H](Cc2ccccc2)C1 179672828 SXWIDEKSPBVCRT-OALUTQOASA-N 366.465 2.313 0 40 FEAB CN1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306133488 MNAPJHUYSRJNGW-UHFFFAOYSA-N 364.493 2.070 0 40 FEAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCc2ccccc2C1 524733244 JAWRDXBRNTUTDS-UHFFFAOYSA-N 351.435 2.411 0 40 FEAB COC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342830 JXDICQLJZUSOCX-CQSZACIVSA-N 369.425 2.354 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)Cc1cccs1 31526829 GSDLZASNPLFQKJ-UHFFFAOYSA-N 371.466 2.098 0 40 FEAB COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2cccnc2)C1 72354474 CRBGHOPWXSOFRO-LJQANCHMSA-N 353.466 2.345 0 40 FEAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)C1(c2ccccc2)CC1 72325053 IQMCEFGTWGOPRH-HNNXBMFYSA-N 351.450 2.359 0 40 FEAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1 96041251 ZBSRUCGKTGSJEH-CWFSZBLJSA-N 351.450 2.493 0 40 FEAB COc1ncccc1CN1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96206399 BHZOEJJCNKBDSR-QFBILLFUSA-N 355.442 2.116 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CCC3(CC2)CN(CC(C)C)C3=O)cc1 96202824 LLHORHCJDWDVAH-UHFFFAOYSA-N 364.511 2.405 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 96108876 XPCQEBXLJQAEFK-UYAOXDASSA-N 353.422 2.090 0 40 FEAB O=C1CO[C@]2(COCCN(Cc3ccco3)C2)CN1c1ccc(F)cc1 96051293 ZAEYJJIFURTOBV-IBGZPJMESA-N 360.385 2.053 0 40 FEAB CC[C@H](C)[C@H](C(=O)N[C@@H](CO)CCSC)N1Cc2ccccc2C1=O 230202679 ORTSWYHOSRKNNC-YSVLISHTSA-N 364.511 2.287 0 40 FEAB biogenic Cn1cccc1C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050640 SXBKRBWQHRFCBY-FQEVSTJZSA-N 355.413 2.429 0 40 FEAB CC(C)(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)s1 333714692 GZXNRASZDCVFGK-DGCLKSJQSA-N 357.497 2.074 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NC4CCCC4)nc3[C@@H]2C)no1 247892998 GMGYBVCOAYIXDJ-AWEZNQCLSA-N 357.458 2.358 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(S(=O)(=O)C(C)C)C2)cn1 257327544 XBTUMKIHMLUAPP-AWEZNQCLSA-N 364.471 2.351 0 40 FEAB COc1ccc(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)cn1 257260423 LCTRLSDAPZXJLH-AWEZNQCLSA-N 353.382 2.206 0 40 FEAB Cc1noc(C)c1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 252019494 XLHBGHROXXEMBV-QGZVFWFLSA-N 370.453 2.097 0 40 FEAB Cn1cncc1CN1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 257273353 NGENTEKJRDMXTJ-QGZVFWFLSA-N 363.425 2.195 0 40 FEAB CCN1CCN(C(=O)Cc2ccc(OC(F)F)cc2)C[C@@]12CCOC2 1615589729 RJSNKYJCOFKGFP-GOSISDBHSA-N 354.397 2.154 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccc(F)cn2)CC1 1141916086 DGDSGWUDLQAFGS-UHFFFAOYSA-N 352.410 2.148 0 40 FEAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575423022 NKLDQXQAPAIBCB-INIZCTEOSA-N 359.513 2.398 0 40 FEAB Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1CNC(=O)CC1CC1 585097829 RLVKHNLTTHLBFQ-QGZVFWFLSA-N 353.470 2.277 0 40 FEAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112780 WJJGVXNSCFRBEE-HNNXBMFYSA-N 368.890 2.033 0 40 FEAB CCn1ncc(NC(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)c1C 585280570 KQTZGJXOVPFUPU-QRQLOZEOSA-N 356.470 2.421 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)n1 585112018 HBRXGUYYJHDMIX-SFHVURJKSA-N 353.470 2.450 0 40 FEAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396569 NJTWQKOMPBSIIP-GOEBONIOSA-N 352.438 2.447 0 40 FEAB biogenic,in-vitro CCc1ccc(N2C[C@@H](C(=O)O[C@H](C(N)=O)c3ccccc3)CC2=O)cc1 11737950 BERBXQMYPDKLHV-LPHOPBHVSA-N 366.417 2.372 0 40 FEAB Cc1c(C(=O)NCCc2cc3nc(-c4ccco4)ccn3n2)cnn1C 12742087 BNGWQWNITOFFQW-UHFFFAOYSA-N 350.382 2.004 0 40 FEAB CC(C)Cn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc(O)cc1=O 12856938 VQOQJNDVRCJLQL-BETUJISGSA-N 353.488 2.202 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)cc1 19587969 LJZWLZJYUAKIHD-INIZCTEOSA-N 366.465 2.032 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)nc(O)c2C1 19590217 XKWJJBLKOGPMKN-LSDHHAIUSA-N 356.470 2.232 0 40 FEAB Cc1noc(CCC(=O)Nc2ccc(N3CCCCC3)c3nonc23)n1 19664967 ZIZNZQZFQPUQOC-UHFFFAOYSA-N 356.386 2.476 0 40 FEAB CN1CC[C@@H](c2nc(-c3ccccc3OC(F)(F)F)no2)S1(=O)=O 647382889 XXLFFTXMBHTUCD-JTQLQIEISA-N 363.317 2.342 0 40 FEAB CN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nn1 1889114109 IBLBSOXAKLFQAU-UHFFFAOYSA-N 370.354 2.422 0 40 FEAB CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)Cc1ccccc1 29597161 YLPYJLOKWFRYGF-LJQANCHMSA-N 368.433 2.476 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037841137 XQBMFJPJDVWCOX-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1)c1ccccc1 252492714 MTQDJWIFNCLYCN-LIRRHRJNSA-N 365.433 2.205 0 40 FEAB O=C(N1CCO[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1)C1(F)CC1 1614939783 ZDKBVUMCKKLHKU-OAHLLOKOSA-N 367.384 2.193 0 40 FEAB CCc1ccc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 1565543459 LDTPFGVWIGFABT-QYZOEREBSA-N 353.422 2.490 0 40 FEAB O=C(N1CCN2CCc3c(ncn3Cc3cccc(F)c3)[C@@H]2C1)C1(F)CC1 1565549804 DPUDWEAPFQFPDM-KRWDZBQOSA-N 372.419 2.314 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 4373565 RRUFYRUQDQRSJE-ZDUSSCGKSA-N 369.377 2.351 0 40 FEAB CN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 4851656 HZGCUEHHEQDQHT-UHFFFAOYSA-N 372.494 2.024 0 40 FEAB C[C@@](O)(CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 206717234 VRXPMAFANVHZJQ-CYBMUJFWSA-N 365.329 2.364 0 40 FEAB COc1ccc(CNC(=O)NC[C@@](C)(O)c2cccs2)cc1OC 75156109 UCQKIAAWXWMTGG-QGZVFWFLSA-N 350.440 2.472 0 40 FEAB CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7881180 WKFIPHMMDCNZRY-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB O=C(CSCc1nc2ccccc2c(=O)[nH]1)N=c1[nH]c2ccccc2[nH]1 20734355 HEEILTKQDWCOJH-UHFFFAOYSA-N 365.418 2.093 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 21067452 OKTHOVAPVRORHX-UHFFFAOYSA-N 365.433 2.010 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccco2)cc1 2628610 ZYSJOKKYDYWSAC-QGZVFWFLSA-N 362.451 2.448 0 40 FEAB CCOC(=O)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4009321 QTPCEIAGSRUKHC-ZDUSSCGKSA-N 364.707 2.090 0 40 FEAB CC(=O)[C@H]1[C@H](c2ccccc2OC(F)F)NC(=O)N[C@]1(O)C(F)(F)F 4035161 DSGBODYJDMNJDK-OUJBWJOFSA-N 368.258 2.098 0 40 FEAB COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C(=O)O)[C@@H]2CO)ccc1O 4769476 MAEVGGSLCDAPGW-TYILLQQXSA-N 374.389 2.112 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8644325 OFOKVQZXMLKLCG-HXUWFJFHSA-N 366.373 2.455 0 40 FEAB COc1ccccc1[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1nccn1C 12230454 GOYXCTZIMLPCSU-QGZVFWFLSA-N 352.394 2.479 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CSc1nncn1C1CC1 105657164 SWWCSHAIKPAPFQ-NTZNESFSSA-N 351.476 2.356 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)c1 61721381 VEHRSYTYJYNHMG-UHFFFAOYSA-N 354.410 2.109 0 40 FEAB CCOC(=O)c1c[nH]c2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1=N 105889738 SJRAYVYMGISJPX-UHFFFAOYSA-N 356.382 2.311 0 40 FEAB COc1ccc([C@H]2CCCN2CC(=O)NC(=O)NCc2ccco2)cc1 25415322 WFNUDBKJOZDKKQ-QGZVFWFLSA-N 357.410 2.451 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980381 MVAFPEHIGLVMCB-HNNXBMFYSA-N 368.380 2.093 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1O 51951713 ZOHDMZDTYNCUBC-GJZGRUSLSA-N 350.415 2.283 0 40 FEAB CC(C)N(C(=O)C1=NN(C)C(=O)CC1)c1ccc(Br)cn1 55796597 UVNLMXLOWMNWBT-UHFFFAOYSA-N 353.220 2.194 0 40 FEAB COC(=O)C1(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CCCCC1 56114993 FDUJFVSCLPRCKD-OAHLLOKOSA-N 362.401 2.171 0 40 FEAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(OC)ccc1O)c1ccccc1 26018293 WMKGHSGFKAZHBQ-INIZCTEOSA-N 372.377 2.145 0 40 FEAB Cc1cccc(OCCNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 47929919 AQYQRHFLXMWXQN-UHFFFAOYSA-N 352.398 2.480 0 40 FEAB COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C 3296694 WTMXHYLCQYXPDX-UHFFFAOYSA-N 369.420 2.020 0 40 FEAB Cc1ccccc1C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21 2170910 WQDDMUNHEHZRDL-UHFFFAOYSA-N 358.419 2.281 0 40 FEAB CC[C@@H](CO)NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2425514 GOSIGVNANJMKIC-HNNXBMFYSA-N 351.406 2.101 0 40 FEAB Cc1noc(C)c1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12817470 FNPPVZGIMCYTJO-MDWZMJQESA-N 361.467 2.410 0 40 FEAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 8327916 KKPHFAHPEFHHOS-LRDDRELGSA-N 373.482 2.460 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 8470768 RAESWBKRRSRNEL-UHFFFAOYSA-N 372.425 2.084 0 40 FEAB O=C1Cc2ccc(CC(=O)N3CCN(c4ccccc4F)CC3)cc2N1 184048957 LFIDLJJMMAYGRF-UHFFFAOYSA-N 353.397 2.212 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306131661 KLKVWIFLQOIZQW-LSDHHAIUSA-N 373.888 2.374 0 40 FEAB O=C(O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4324337 DNBOPGHERJNLJK-UHFFFAOYSA-N 368.433 2.021 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 5585825 WTCYCVYXRUOUHH-UHFFFAOYSA-N 354.330 2.408 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1 14572249 QCDCEEBHAGAYJT-GFCCVEGCSA-N 370.365 2.361 0 40 FEAB CN(C)[C@@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 6865306 AVOMLJMSMNSXCT-SFHVURJKSA-N 365.433 2.092 0 40 FEAB Cc1cc(C)c(CNC(=O)CSc2ccc3c(c2)OCCO3)c(=O)[nH]1 7118219 UJMWLQMRDCDVHB-UHFFFAOYSA-N 360.435 2.171 0 40 FEAB COc1ccc2nc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)sc2c1 8994104 GUBGBMGPUPTNLQ-UHFFFAOYSA-N 368.374 2.087 0 40 FEAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 9111372 MQASXDMRITUTSX-UTKZUKDTSA-N 361.401 2.481 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CN1Cc3ccccc3C1=O)CC2 96116521 YPMJUVLNANVFAQ-UHFFFAOYSA-N 366.417 2.245 0 40 FEAB biogenic COc1ccccc1OCC(=O)N1C[C@H]2OC[C@@H](CN3CCCCC3)[C@H]2C1 306134151 NEMKMSHDFQJOMX-MBOZVWFJSA-N 374.481 2.033 0 40 FEAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@H]3CC(=O)N(C)C3)c2)cs1 72063107 DKNZETJGXGGGLV-LFAOLKIESA-N 371.462 2.391 0 40 FEAB O=C(c1scnc1Br)N1CCN(c2ccccn2)CC1 95462462 UEWJKWFRRSNRGV-UHFFFAOYSA-N 353.245 2.263 0 40 FEAB CCOC(OCC)c1nnc(SCC(=O)N(C)Cc2ccco2)n1C 95460170 MFLYFYFLWFFPDZ-UHFFFAOYSA-N 368.459 2.230 0 40 FEAB COc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCc3nnc(C(C)C)n3C1)CO2 95964749 DOHYZQDKLNFGOM-OAHLLOKOSA-N 368.437 2.317 0 40 FEAB CC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CCCN2CC(C)C)ccc1C 89644319 XIVXYEPDBKMKGK-INIZCTEOSA-N 367.515 2.352 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 20949747 NIABAEUERYYATP-MRXNPFEDSA-N 366.845 2.030 0 40 FEAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(Cl)sc1Cl 547874173 QIGSLJHKESFHMM-BQBZGAKWSA-N 374.267 2.213 0 40 FEAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(Cl)cc1 72241398 PYDAKWOVMHPAAO-OLZOCXBDSA-N 351.815 2.334 0 40 FEAB COCCn1c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c2cccnc21 72389480 SSUAXEKZFRJTLM-HOTGVXAUSA-N 372.469 2.026 0 40 FEAB CC(C)OC(=O)CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 32787872 FUPNDVFAUGZKLM-HNNXBMFYSA-N 361.442 2.388 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1 217663937 NZEBLXOHRWRMBM-LLVKDONJSA-N 356.444 2.053 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N[C@H]3CCN(CC(F)F)C3)[nH]2)c1 562780666 PPQJYIOZDDXPQP-ZDUSSCGKSA-N 364.396 2.463 0 40 FEAB CN(C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccccc1 225943980 AXEIRSPBUZVTRX-MRXNPFEDSA-N 350.415 2.469 0 40 FEAB Cc1nc(CNC(=O)Cn2cc(COc3ccccc3F)nn2)cs1 227168112 GVXLZIZQPXJLSV-UHFFFAOYSA-N 361.402 2.078 0 40 FEAB COc1cccc(-c2noc(CNS(=O)(=O)c3cccs3)n2)c1 41153674 RZIPLHQTFMRXFS-UHFFFAOYSA-N 351.409 2.285 0 40 FEAB CC(C)c1cc(NC(=O)N2C[C@H]3C[C@H](O)CC[C@H]3C2)n(-c2ncccn2)n1 333389026 LRNYKQOAHLMZDR-RRFJBIMHSA-N 370.457 2.410 0 40 FEAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96065012 QYXIRPYNGOWEOP-WMZOPIPTSA-N 352.500 2.338 0 40 FEAB c1cncc(CN2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244073 NUZBYOHTEZLTQV-FQEVSTJZSA-N 351.454 2.367 0 40 FEAB CCN1C[C@H]2CCN(C(=O)Nc3ccccc3C)CC[C@H]2S1(=O)=O 96145529 HNAIQMPQDDCLFF-GDBMZVCRSA-N 351.472 2.273 0 40 FEAB Cc1ccc([C@H](O)[C@@](Cl)(I)S(C)(=O)=O)cc1 96519993 QILQUSFTGDOABO-VHSXEESVSA-N 374.627 2.401 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)C2CCC2)C1 96244543 RFMATVYREVLUEX-FQEVSTJZSA-N 356.470 2.407 0 40 FEAB O=C(COC[C@H]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)N1CCCC1 96082850 IBFVRQYPWUOCOI-AABGKKOBSA-N 358.482 2.305 0 40 FEAB COc1ccc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc1OC 96231829 QCYIHRWHHHWGRG-LBPRGKRZSA-N 352.346 2.153 0 40 FEAB Cc1cc(C(=O)N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)no1 96040406 AAXHIFJWZBGHOY-VQIMIIECSA-N 357.410 2.468 0 40 FEAB Cc1csc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)n1 247928399 BJWJWLYIZBFION-CQSZACIVSA-N 367.540 2.150 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC(C)C)NC2=O 247975885 FLWPITKDAWGKND-XBMZAUBUSA-N 358.438 2.475 0 40 FEAB COc1ccc(C(=O)CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 575421598 JDUZBOVCMPAVSZ-HNNXBMFYSA-N 369.483 2.032 0 40 FEAB COc1ncccc1CN1Cc2ccnn2[C@@H](COc2ccccn2)C1 585111838 HMXLEPXEJSPNPN-QGZVFWFLSA-N 351.410 2.318 0 40 FEAB COc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCCCN1C)CC2 585111565 WLGPUBQDZMFOOK-KRWDZBQOSA-N 368.481 2.428 0 40 FEAB O=C(c1n[nH]cc1Cl)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585276615 OFJSNCSPKAZSOK-MRXNPFEDSA-N 353.781 2.248 0 40 FEAB COc1cc(Br)cc(C)c1NC(=O)CCS(C)(=O)=O 78553219 GXLMLNSGFJDKNR-UHFFFAOYSA-N 350.234 2.139 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156472 JJNPVHCYSUYNCW-IBGZPJMESA-N 356.447 2.325 0 40 FEAB COc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)c1 5918615 MFWGEJDSBSSDEC-WMZOPIPTSA-N 370.405 2.406 0 40 FEAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCCN1CCOCC1 12863496 JUZKTTDQNDKBCI-UHFFFAOYSA-N 363.845 2.376 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)OCC)CC1 16476349 MNOIVEXFVUMCMI-UHFFFAOYSA-N 362.426 2.077 0 40 FEAB COc1c(C)cccc1C(=O)N[C@@H](C)c1cc(=O)[nH]c(N2CCCC2)n1 19235862 LMQUUOKEVWTHNU-ZDUSSCGKSA-N 356.426 2.178 0 40 FEAB Cn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1cccs1 19291682 DRQSRPZYZXSOQO-UHFFFAOYSA-N 370.482 2.350 0 40 FEAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3c(OC)cccc3OC)C2)n1 19594299 DQGUCSOZQDSADR-CQSZACIVSA-N 373.453 2.313 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@@H]1CCCS1(=O)=O 629620423 VTXUTWASNOWACL-AWEZNQCLSA-N 358.822 2.196 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(C)nc3)CC2)c1 25518750 SXBDOHSBPDMLDJ-UHFFFAOYSA-N 369.421 2.005 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(c2cccc(F)c2)=NO1 33163792 QFIPHOHCBPJHPC-QGZVFWFLSA-N 370.384 2.189 0 40 FEAB O=C1CO[C@]2(CCCN(C[C@H]3CCOC3)CC2)CN1c1ccc(F)cc1 2037988888 MOXCIHDVTHPWNM-UZLBHIALSA-N 362.445 2.450 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 8844931 XOEDEDGWWRTAEH-IBGZPJMESA-N 371.368 2.240 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)s1 9366916 JKWZONGDCJTSBX-UHFFFAOYSA-N 372.501 2.413 0 40 FEAB COCCn1cc(C(=O)NCC(C)C)c2nn(-c3ccccc3)c(=O)c-2c1 10062709 CJNXSSREXUQGIW-UHFFFAOYSA-N 368.437 2.171 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccco2)C1 2055751049 BVQFTXQEJBLHHF-HXUWFJFHSA-N 371.437 2.129 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(c3ncc(F)cn3)CC2)c1 2055750731 URWMJCZZCXFLNI-UHFFFAOYSA-N 373.432 2.164 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(c2cnsn2)CC1 575617067 XFKYNCDQMBJCSH-UHFFFAOYSA-N 372.903 2.447 0 40 FEAB CN(C)C(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 390830354 KMPRROCYZPKEHQ-UHFFFAOYSA-N 373.906 2.153 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)cc1 19554295 RHRVJDPZGVJPLS-IBGZPJMESA-N 366.465 2.427 0 40 FEAB O=C(NCCc1ccccc1F)c1ccc(N2CCCS2(=O)=O)cc1 40005245 KOFBDWLYGDCQJF-UHFFFAOYSA-N 362.426 2.338 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1 40039904 ZOCBYSXSSAOCGY-RKVPGOIHSA-N 361.467 2.115 0 40 FEAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCCn1cccn1 30167529 LOODFFMICOXKNN-UHFFFAOYSA-N 362.433 2.486 0 40 FEAB COc1cccc(C[C@H](C(=O)NC2[C@H]3CCCC[C@H]23)n2nnnc2C)c1 101473753 YYOAZDMOOIAWKW-YESZJQIVSA-N 355.442 2.079 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccccc3)C2=O)cc1 7201045 UZRXATSFJOMAMQ-OXJNMPFZSA-N 354.406 2.202 0 40 FEAB COc1ccc(CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 9913992 HLUCXVCWHRYPEV-UHFFFAOYSA-N 351.406 2.152 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 53666671 FYIQYMCPSGTQCI-UHFFFAOYSA-N 352.434 2.474 0 40 FEAB CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 810935 BWEBWZMIYOUZKW-UHFFFAOYSA-N 351.255 2.140 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3Oc2cccnc2)cc1 107265855 SLJQQKQPTLRRNQ-BVGQSLNGSA-N 360.435 2.321 0 40 FEAB COC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1cc(OC)ccc1OC 994399 PZWDSXVJIJBNPG-HNNXBMFYSA-N 362.407 2.137 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2nccnc2c1 47178927 IJFFZBCPSWEPAQ-UHFFFAOYSA-N 367.409 2.213 0 40 FEAB CC(C)(C)c1nnnn1Cc1ccc(Cn2nnnc2C(C)(C)C)cc1 47256383 TUGRHRHBCFAEPD-UHFFFAOYSA-N 354.462 2.351 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 100604547 ABCMHGZYYZULNK-VMUDFCTBSA-N 366.483 2.155 0 40 FEAB O[C@@H](CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 24097434 DYPAECYSEUIZBH-IBGZPJMESA-N 354.450 2.309 0 40 FEAB O=C(NCCCOC[C@H]1CCCO1)Nc1nnc(-c2ccccn2)s1 47790025 NQLCGUJSTZYFPB-GFCCVEGCSA-N 363.443 2.307 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)N[C@H]2CCOc3ccccc32)cc1 24985126 WBKFRDOHIOMQIJ-KRWDZBQOSA-N 355.390 2.421 0 40 FEAB CCS(=O)(=O)c1ccc(C(=O)N2CCOCC2)c(Cl)c1Cl 1404548 IYKSOJINEZWTFO-UHFFFAOYSA-N 352.239 2.259 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 28223590 FJJQQKCBVXHQDG-CVEARBPZSA-N 350.484 2.346 0 40 FEAB O=c1[nH]nc(SCc2nc(-c3cccs3)no2)n1C[C@@H]1CCCO1 57481026 BAMSTQBGNIHEDO-VIFPVBQESA-N 365.440 2.154 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccc(OC)c(OC)c1 58166507 XRPQSRNOMAWSST-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB COCCOCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 12602155 LNEYLWDCGSNSBF-UHFFFAOYSA-N 364.486 2.273 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(-n2cnnn2)cc1 3333703 DXZKXXBUXPPNPV-QGZVFWFLSA-N 366.425 2.212 0 40 FEAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 62302511 GJTVTVZKYWINOB-KRWDZBQOSA-N 370.474 2.412 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 12888009 LBMYVGULPIWNTM-MRXNPFEDSA-N 373.497 2.147 0 40 FEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)O)CC2)cc1 3443676 LGMCGWLSDVQJAE-GJZGRUSLSA-N 368.499 2.370 0 40 FEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13552504 AQIIREKTSJWFLI-BETUJISGSA-N 359.426 2.311 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2C)n(C)c1=O 4249504 XNDVJSAJAZWJGJ-ZDUSSCGKSA-N 367.453 2.403 0 40 FEAB Cn1ncc2c(NCCO)nc(Nc3ccc(Br)cc3)nc21 4272774 UGBVOIJYPWCZEG-UHFFFAOYSA-N 363.219 2.274 0 40 FEAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 49941853 AWGKZPIHZIUHFC-HNNXBMFYSA-N 371.264 2.386 0 40 FEAB O=C(C1CCCCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 20142901 XTWZJCHKHBCSGV-UHFFFAOYSA-N 354.454 2.148 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cc(Cl)c3c(c2)OCCO3)no1 13986423 NDDATHGYBWOIEN-UHFFFAOYSA-N 352.730 2.203 0 40 FEAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 22412451 IHLMDJAOIIGXCM-CQSZACIVSA-N 352.500 2.491 0 40 FEAB Cc1cccc(-n2nnnc2SCC(=O)NCCc2cccs2)c1 14181423 BVJGTWJGEKKDNY-UHFFFAOYSA-N 359.480 2.483 0 40 FEAB CCCCn1c(N)c(N(C)C(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O 14656277 YQZZUSQOMKHVNU-UHFFFAOYSA-N 372.469 2.493 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(F)cc2)c1 5771062 UDESZEYSLOADDU-UHFFFAOYSA-N 363.341 2.404 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(O)cc1)CC(O)=N2 71279817 GPVAVIOBNBIZDJ-JSGCOSHPSA-N 361.423 2.380 0 40 FEAB Cc1cc(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c(C)n1CC(F)(F)F 9114721 QOOFHHFBORBERQ-LBPRGKRZSA-N 357.332 2.277 0 40 FEAB Cc1cccc2c1NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022211 DMKXXMBABNHHDX-HFZMZTSTSA-N 369.465 2.170 0 40 FEAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 8058148 CAEVOTMXROEQBL-UHFFFAOYSA-N 373.434 2.218 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2cccs2)cc1 67896305 BWUUESQVTFOMMC-VQIMIIECSA-N 374.462 2.210 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1 8314791 HDDDNPUXYSFELJ-AWEZNQCLSA-N 369.512 2.468 0 40 FEAB COC(=O)c1cnc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)s1 84093655 NRVCJRAYVWWBRV-UHFFFAOYSA-N 356.425 2.072 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(=O)O)CC1 9805559 OPUOIGWECVVBDR-HNNXBMFYSA-N 360.454 2.227 0 40 FEAB O=C(Nc1ccc(-n2nccn2)cc1)C1CCN(C(=O)N2CCCC2)CC1 71798111 VOBQFHRVSFEDHS-UHFFFAOYSA-N 368.441 2.134 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 9689371 ZPLYNFMYIOHHCM-UHFFFAOYSA-N 364.453 2.023 0 40 FEAB Cc1nnc([C@@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)o1 84291338 UENNCULQRKSEDD-YJYMSZOUSA-N 356.426 2.498 0 40 FEAB COc1cc(F)c(S(=O)(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1OC 95348562 POJMTJOKUYEYJL-NSHDSACASA-N 369.418 2.134 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(-n2ccnc2)cc1 95947664 YSRCFPUWCRPEIK-IRXDYDNUSA-N 366.421 2.376 0 40 FEAB COC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(N)=O 89374984 USKSPRHZCJERPC-SNVBAGLBSA-N 361.448 2.255 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)CC1 408612107 YKMCYOULPVDKMH-UHFFFAOYSA-N 354.472 2.011 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306144921 ZSFOYVSJPUMEGN-KBPBESRZSA-N 371.872 2.128 0 40 FEAB Fc1ccc(CN2C[C@H]3c4nc(N5CCOCC5)ncc4C[C@H]3C2)cc1 306138798 SHSWCXOFZHSZIQ-FUHWJXTLSA-N 354.429 2.224 0 40 FEAB CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340274 COZUFLOYBXVAFN-LLGFUMIMSA-N 373.449 2.495 0 40 FEAB Cc1nnc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1C 36391699 GEFRPPASLKFQCO-UHFFFAOYSA-N 353.392 2.460 0 40 FEAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)C[C@H](C)O1 72347189 ZSWSHDIFVDAKBP-KBPBESRZSA-N 372.444 2.081 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)NC[C@H]1COc2ccccc2O1 31040857 CBVIVKDJAAEQOO-LBPRGKRZSA-N 360.797 2.026 0 40 FEAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1ccn(C)n1 36619002 ULRSNZNVPKKUCS-NSHDSACASA-N 365.372 2.155 0 40 FEAB NC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CCCC2 35314854 CLCWQRKZDMVIAM-UHFFFAOYSA-N 357.479 2.497 0 40 FEAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC1 47080903 SKLYWTWPEAVFHY-VIFPVBQESA-N 351.255 2.283 0 40 FEAB O=C(Nc1cc(N2CCOCC2)ncn1)c1cc(-c2cccs2)on1 75166268 HNUSNNVBNFWRFE-UHFFFAOYSA-N 357.395 2.282 0 40 FEAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C(=O)OC 40478660 DYLPMNPQUXUZAG-UHFFFAOYSA-N 365.389 2.384 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(c3ncccn3)CC[C@H]21)NCc1cccs1 96208665 RUSMXGJLNXZMBQ-FVQBIDKESA-N 358.467 2.086 0 40 FEAB CO[C@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)C1CC1 331780554 AJLUCMZFOVWJIF-GOSISDBHSA-N 368.499 2.099 0 40 FEAB COc1ccc(N2CCC[C@H](C(=O)NCc3ccccc3OC)C2)nn1 95477513 ANGMQTMSZLZYQK-HNNXBMFYSA-N 356.426 2.027 0 40 FEAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(CN(C)C)o2)cc1 583621888 LDTBOMCPUAMVOK-MRXNPFEDSA-N 358.442 2.436 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC(C)C)NC2=O 247975880 FLWPITKDAWGKND-AFTNEDFKSA-N 358.438 2.475 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NCC4CCC4)nc3[C@H]2C)no1 247947431 WZMQVIJXQYYMGP-CQSZACIVSA-N 357.458 2.215 0 40 FEAB C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(OCC(F)(F)F)nc1 585084875 SSYFDHJBHFPDRJ-UKRRQHHQSA-N 359.392 2.318 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2cncc(C(=O)O)c2)n1 257242698 IDSKTJRHWIYELB-MRXNPFEDSA-N 370.409 2.245 0 40 FEAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 1775957468 WQBTXBGBFZMRBA-DZGCQCFKSA-N 358.442 2.411 0 40 FEAB Cc1cnccc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644438456 FIFKYTACZYLARG-NRFANRHFSA-N 353.466 2.423 0 40 FEAB O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)C1CCN(c2cnccn2)CC1 653329621 YFEZKSJYHRQQFJ-DLBZAZTESA-N 366.421 2.122 0 40 FEAB COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 664228851 WAEOVHUZBQUOIL-GRYCIOLGSA-N 358.435 2.160 0 40 FEAB O=C([C@H]1CCC(F)(F)C1)N1CCN(C[C@H](O)COc2ccccc2)CC1 684577343 YALKYKFICOGUOC-HOTGVXAUSA-N 368.424 2.006 0 40 FEAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cc(F)cc(F)c2)c1 57784340 YBASJRDOMQEIHI-UHFFFAOYSA-N 369.328 2.189 0 40 FEAB CO[C@]1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 96097701 DXZYHRRUGWMNRF-LBPRGKRZSA-N 371.402 2.386 0 40 FEAB O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC=C(c2ccccc2)C1 563944125 CYLSHMRZYZFBGO-UHFFFAOYSA-N 364.453 2.207 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 5060206 BPBJTVYZSZRLIR-GOSISDBHSA-N 370.405 2.231 0 40 FEAB Cc1ccccc1-c1nnc2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n12 13547833 GXADUKFOATWPQH-CXUHLZMHSA-N 363.398 2.403 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C(N)=O)C1 17075132 WJXNWJJEIAMYHI-SRVKXCTJSA-N 365.499 2.020 0 40 FEAB Cc1c([C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n2c(nc1=O)CCC2 19554884 ZJNCIDGVWHVBLV-OAHLLOKOSA-N 369.469 2.295 0 40 FEAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888878949 LWJNVRFGVBMZLH-IFXJQAMLSA-N 374.416 2.471 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037915967 FDDAAZQTAJJLAY-OXJNMPFZSA-N 364.461 2.432 0 40 FEAB CCn1cc(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037981153 WZXJEBITXHJKRW-HXUWFJFHSA-N 354.454 2.159 0 40 FEAB O=C([C@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCC(F)(F)CC1 2087130926 BMTLFBFEDCQPGM-OAHLLOKOSA-N 355.385 2.011 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@@]12CCN(C(=O)c1cc[nH]n1)C2 1565548198 ZLDDMZWQTPRTEB-FQEVSTJZSA-N 362.437 2.004 0 40 FEAB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 5136843 HTUCKWSGKIVTDL-UHFFFAOYSA-N 366.464 2.200 0 40 FEAB Cc1ccc(N2CCn3c2nn(Cc2cccc(F)c2)c(=O)c3=O)cc1 8849773 RHOKMKBWCYMBNJ-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB O=C(NC1CCC1)c1nnn2c1CN(C(=O)/C=C/c1cccs1)CCC2 2055844881 AMFNDCKEZQRRBR-BQYQJAHWSA-N 371.466 2.068 0 40 FEAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1 23157345 CATHIDBJMVNXPV-CQSZACIVSA-N 362.430 2.490 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598076 BGIZXJIKADDYDD-VOTSOKGWSA-N 360.421 2.024 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19580759 WKYXPRXQVOSYLZ-SFHVURJKSA-N 369.469 2.414 0 40 FEAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc2c(cc1O)OCO2 40153112 QLLYQPLRSIYPTR-UHFFFAOYSA-N 351.362 2.296 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 40143133 JEUHYNGDMMZQFP-GFCCVEGCSA-N 367.380 2.274 0 40 FEAB COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)NCc3ccco3)cc2c1OC 20724633 DSKJIDJVSCMMPP-NSHDSACASA-N 371.393 2.213 0 40 FEAB CCOC(=O)c1cc(C(=O)OCC)c(C(=O)OCC)cc1C(=O)OCC 1682837 FRBIXZIRQKZWGN-UHFFFAOYSA-N 366.366 2.393 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2c(s1)CCCC2 102432167 AIVSMPIDCUDRFV-TXEJJXNPSA-N 359.451 2.302 0 40 FEAB NC(=O)[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1 12052030 OCJZDXFKXMNXJU-MRXNPFEDSA-N 352.419 2.090 0 40 FEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(=O)NC)cc2)C1 32913144 DYUQITCAUHRAHU-MRXNPFEDSA-N 374.485 2.087 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 10045182 BLVGNEOHDSPZRU-CYBMUJFWSA-N 373.409 2.360 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32906669 MSHUHKIZEDYVNK-UHFFFAOYSA-N 355.437 2.208 0 40 FEAB Cc1c(NC(=O)C(=O)NOCc2ccccc2)cccc1N1CCCC1=O 52733526 ICEFRMZHQDGERH-UHFFFAOYSA-N 367.405 2.308 0 40 FEAB CCc1cc2c(CN3CCN(c4ncccn4)CC3)cc(=O)oc2cc1O 57399376 RPGAUMLUCYOAFR-UHFFFAOYSA-N 366.421 2.173 0 40 FEAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)ccc2O)cc1 9097617 LBXGQUIUJLTNCJ-UHFFFAOYSA-N 358.350 2.214 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1 56105263 UNYIONCPPXWLKQ-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)c3cccc4c3O[C@@H](C)C(=O)N4)C2)n1 104291074 ZTLDHNKCVYKSOO-JQWIXIFHSA-N 356.382 2.117 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 22957178 UKEGKKVWKADQOP-UHFFFAOYSA-N 362.333 2.297 0 40 FEAB C[C@H](C(=O)NCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 113941083 CNUIKWGWUVTFBA-CYBMUJFWSA-N 350.415 2.297 0 40 FEAB Cc1noc(C)c1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 24267461 SLSDECAEBSBGGR-LLVKDONJSA-N 371.393 2.141 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)NC(C3CC3)C3CC3)cc2C1=O 25155352 SIYRSXJSJUKUTJ-UHFFFAOYSA-N 356.422 2.238 0 40 FEAB Cc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)nn1 107497205 BTDJILILNYPAKH-MRXNPFEDSA-N 371.489 2.102 0 40 FEAB COCCN(CCOC)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 26228019 ZDMOEIUWPOQMBH-UHFFFAOYSA-N 366.792 2.475 0 40 FEAB CN1CCC[C@H](N(C)CC(=O)N[C@H](c2ccccc2)c2nccs2)C1 108144646 WOIZCILJJSARIQ-FUHWJXTLSA-N 358.511 2.375 0 40 FEAB COCCOc1ncccc1CNC(=O)c1cc(-c2ccccc2)[nH]n1 58061469 AZPMRIRCECOBQP-UHFFFAOYSA-N 352.394 2.427 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)c2ccccc21 58213805 KRCJKDNGZMFAFY-AWEZNQCLSA-N 353.344 2.461 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2Cl)o1 58213429 ZNJZSLMAVZZUDQ-UHFFFAOYSA-N 363.222 2.206 0 40 FEAB Cc1c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2102851 XGERTZRNQOBHEX-RYUDHWBXSA-N 373.405 2.337 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48194216 QDWFBLVTWFJPDW-HOTGVXAUSA-N 371.441 2.459 0 40 FEAB O=C1CN(C(=O)CSc2ccc3c(c2)CCC3)C2(CCCCC2)C(=O)N1 12778786 NYLHRPIGAPFMST-UHFFFAOYSA-N 372.490 2.455 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCN1C(=O)CN(C)C1=O 48326750 QMKVZAUWMCVWNA-UHFFFAOYSA-N 369.425 2.102 0 40 FEAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCO2 8327620 CVKBNDRJCYFCLB-NSHDSACASA-N 374.466 2.433 0 40 FEAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NCc1ccc2c(c1)OCO2 3511693 ZDTVEGWPZQXQOY-JTQLQIEISA-N 362.769 2.325 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(N)=O)C2)c(Br)c1 12942946 XAHHWRGAOMRZJC-YBJDMEARSA-N 351.244 2.495 0 40 FEAB CCN1CCc2nc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)sc2C1 12934000 HUVBUWIDHWJRBP-CQSZACIVSA-N 357.435 2.241 0 40 FEAB O=C(O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13267464 PFXGOUKSPAWHHE-UHFFFAOYSA-N 353.318 2.071 0 40 FEAB C[C@@H](NC(=O)CCn1ccnc1)c1cc(F)ccc1N1CCN(C)CC1 69583018 HUJTVJKGUDJTEE-OAHLLOKOSA-N 359.449 2.042 0 40 FEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@H](O)[C@@]21C 49662043 AGRFRTKLCPEWTJ-NKXDDCMHSA-N 363.498 2.381 0 40 FEAB biogenic CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(C)on2)cc1 5034121 BWVYNKNXCPWYNB-LLVKDONJSA-N 374.426 2.477 0 40 FEAB CCN(C(=O)Cc1csc(-c2ccsc2)n1)[C@@H]1CCS(=O)(=O)C1 39984294 AUGATSVCZNRFKK-CYBMUJFWSA-N 370.521 2.450 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 65522687 IYULEHFFIFBKLZ-HUUCEWRRSA-N 370.902 2.231 0 40 FEAB COc1ccc([C@H](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)NC(C)=O)cc1 14240246 HXBNMHWMBJTMTE-INIZCTEOSA-N 368.393 2.071 0 40 FEAB NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 8747542 XEZYEXDTQIMTDX-UHFFFAOYSA-N 352.866 2.217 0 40 FEAB C[C@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 8710635 IPPQUPPRUJKPBK-LBPRGKRZSA-N 365.480 2.451 0 40 FEAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1F 8742741 FEEFLUMLJMJOED-UHFFFAOYSA-N 370.384 2.000 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)OCc1nc(N)c2ccccc2n1 9208974 FCVFRJSLOALTET-UHFFFAOYSA-N 360.377 2.458 0 40 FEAB O=C(CCn1nc(O)c2ccccc2c1=O)NCc1cccc(Cl)c1 7135209 RRYWIYQPTWDNFY-UHFFFAOYSA-N 357.797 2.462 0 40 FEAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1OCC(N)=O 7830747 IBWMVFHPVCAGLX-NSHDSACASA-N 360.435 2.380 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nn2c(N)nc(-c3ccccc3)c21 409417573 JDEZRGUTJISAQU-AWEZNQCLSA-N 361.405 2.637 0 40 FEAB Cc1cc(OCC(=O)OCC(=O)c2ccc(NC(=O)C(C)C)cc2)no1 8919391 BOWDNDIYKZQKNZ-UHFFFAOYSA-N 360.366 2.382 0 40 FEAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1 8183656 VNDZIUNFCHBVIR-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB O=C(NCc1ccccc1CO)Nc1ccccc1CN1C(=O)CCC1=O 78710559 MITXKXWQYCYKBW-UHFFFAOYSA-N 367.405 2.150 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(Cc3ccccc3)CC2)c1C 96775162 NZCHXXWOIRZZRU-UHFFFAOYSA-N 369.465 2.419 0 40 FEAB O=C(CCc1ccccc1OC(F)(F)F)N1CCN([C@H]2CCOC2)CC1 84502461 QLWMCJWFXUGCIO-HNNXBMFYSA-N 372.387 2.451 0 40 FEAB COc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2F)cc2c1OCCO2 95989765 UJWJKUSBKQYROU-HNNXBMFYSA-N 361.325 2.161 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc2c1C 551218196 HRUYKBKMJVDHRO-RTBURBONSA-N 356.470 2.399 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)Cc1ccccc1 128060421 ZMGGSTBPRLIOKD-UHFFFAOYSA-N 358.463 2.428 0 40 FEAB COc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 53231272 FUZCSYORSVGTRY-UHFFFAOYSA-N 357.429 2.386 0 40 FEAB CCc1nc(CNS(=O)(=O)c2cc(C)cc(F)c2)ccc1C(=O)O 547890073 WHDXUMDMPCLIJD-UHFFFAOYSA-N 352.387 2.268 0 40 FEAB CCc1cccc2c1OCC[C@H]2NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 511905239 FIWGYVOZUAIPKN-MRXNPFEDSA-N 366.421 2.076 0 40 FEAB O=C1C[C@@H](CNC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CN1 521995107 QTTJLBKRFRYANV-GFCCVEGCSA-N 362.499 2.047 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(O)c1)CC(O)=N2 71283445 GGVWNHKSANVTCU-TZMCWYRMSA-N 361.423 2.380 0 40 FEAB CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1nc(=O)c2ccccc2[nH]1 32654896 GCNZGIZJHJLMOZ-UHFFFAOYSA-N 358.348 2.272 0 40 FEAB COC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218097096 BHPOCJHVOWCPCE-GBESFXJTSA-N 361.463 2.226 0 40 FEAB CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccncc1 35290379 NBZAXKYVRTVYOQ-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217560822 UUIUBLCAPPQPEA-RYUDHWBXSA-N 356.444 2.053 0 40 FEAB Cc1cccc(Nc2cnc([C@@H]3CCCN(CC(=O)N(C)C)C3)cn2)n1 72362451 GVINKMVZVAOHND-OAHLLOKOSA-N 354.458 2.191 0 40 FEAB O=C(Nc1onc2c1CCCC2)C1CN(C(=O)COc2ccccc2F)C1 70813980 KEWWZCHCNDJAGV-UHFFFAOYSA-N 373.384 2.168 0 40 FEAB O=C(NCCc1cccs1)c1cn(C[C@H](O)c2ccccc2F)nn1 225580946 QRCSVJMEBIEIBY-INIZCTEOSA-N 360.414 2.185 0 40 FEAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1C[C@@H]1CCCO1 40398316 ISPRJYPYFDLWIY-AWEZNQCLSA-N 365.368 2.424 0 40 FEAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccn1 44919526 CUQJFEHKCNEGGO-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 224239580 CEBIHTFYLGXVKN-UHFFFAOYSA-N 361.254 2.328 0 40 FEAB Cc1cccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 224076426 NUONSFPERRUKIY-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cn1 96222949 USKMZEFTNSHLLM-HNAYVOBHSA-N 353.426 2.056 0 40 FEAB CN(Cc1ccccn1)[C@H]1CCC[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 96183057 ZMYHCXLDAQKRPN-NEWSRXKRSA-N 351.454 2.244 0 40 FEAB O=C(Cc1ccsc1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247869988 QFHZPZZXZNBUPH-OAHLLOKOSA-N 358.467 2.200 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@H]2COc1cccnc1 247799583 FFDRJHYXJSIBHJ-HNNXBMFYSA-N 368.389 2.120 0 40 FEAB COc1ncccc1CN1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 247843299 LPDNPAGZKUAVEG-OAHLLOKOSA-N 369.469 2.028 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccccc1)CN2CC(N)=O 257200397 ADCLWJMRGLAIGY-ULQDDVLXSA-N 359.470 2.197 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 257292307 QKWXFNZXGJCFAV-LJQANCHMSA-N 353.422 2.460 0 40 FEAB O=C(NCc1cc2n(n1)CCCO2)c1c(C(F)(F)F)nc2n1CCCC2 614968776 JBVNIRONGYCSKH-UHFFFAOYSA-N 369.347 2.147 0 40 FEAB Cc1nnc(CCC(=O)N2CCC(Oc3cncc(Cl)c3)CC2)o1 635947974 GUYILNLUBBKLKM-UHFFFAOYSA-N 350.806 2.429 0 40 FEAB Cc1cc(CN(C)C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)no1 644303708 GHVKMNKINUFCHA-FQEVSTJZSA-N 357.454 2.359 0 40 FEAB C[C@]1(C(F)F)CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 661327587 OKGGUYDFYQORBG-CXAGYDPISA-N 357.376 2.470 0 40 FEAB CCN1C(=O)C[C@H](C(=O)NCc2cc3ccccc3o2)[C@H]1c1nccn1C 1615588368 DYLYNXZQEFPJMV-YJBOKZPZSA-N 366.421 2.392 0 40 FEAB O=C(c1cnc[nH]1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575606657 KWZHJYCGIYGXAH-CQSZACIVSA-N 353.831 2.065 0 40 FEAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)[C@H]1CCCS1 585098412 XQYVWRVNINYGLJ-QWHCGFSZSA-N 359.455 2.051 0 40 FEAB COC1(CC(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)CCC1 585108603 KSLHQBRWKDVOGE-AOIWGVFYSA-N 360.454 2.316 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1F 56099900 LEKPXXUEQNTCJA-LBPRGKRZSA-N 370.837 2.216 0 40 FEAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc2cc[nH]c12 656857864 YRDOQJVUYSTVIX-KBXCAEBGSA-N 351.410 2.134 0 40 FEAB Cn1cc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cn1 19290547 SBXCGEGLJLFSLN-UHFFFAOYSA-N 369.450 2.252 0 40 FEAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cc(=O)[nH]c(-c2cccnc2)n1 19458435 QKZOKICPDSADQL-GFCCVEGCSA-N 352.369 2.391 0 40 FEAB COc1cccc(NC(=O)C2CN(C(=O)c3ccc4nsnc4c3)C2)c1 19747617 BFJHBDVHRKJYFB-UHFFFAOYSA-N 368.418 2.411 0 40 FEAB CCn1cc(/C=C/C(=O)NC(=S)Nc2nccc(-c3ccco3)n2)cn1 2741002 DXEZLBSVYXEACV-AATRIKPKSA-N 368.422 2.479 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)cc1 225400842 DITAVPKNISXGFJ-QGZVFWFLSA-N 370.453 2.164 0 40 FEAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccc(F)c(F)c1 1888897926 WSHGBAXVGSKEGC-UHFFFAOYSA-N 356.438 2.293 0 40 FEAB O=C(CN1CCCCCC1=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037913167 XKNAUANQTFNMAZ-OAQYLSRUSA-N 374.481 2.212 0 40 FEAB O=C(c1cncs1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978245 KSHYIAATYOEGLP-GOSISDBHSA-N 357.435 2.039 0 40 FEAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)C3CC(F)(F)C3)C2)CC1=O 1614940429 LOBLQGIBHQEVHV-KRWDZBQOSA-N 367.396 2.288 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5221285 WLUIGKYRLDUVOM-OAHLLOKOSA-N 352.390 2.302 0 40 FEAB COc1cccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 5240588 FXHWBHUNLVGZPY-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 15424257 IRPNOOQOJJEXRI-UHFFFAOYSA-N 370.390 2.269 0 40 FEAB CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 152481900 VLWNQFLMBHDLES-ZWKOTPCHSA-N 354.454 2.157 0 40 FEAB Cc1nc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)no1 30517996 PZSDHSDAOOCXNW-UHFFFAOYSA-N 358.427 2.088 0 40 FEAB Cc1nc2sc3c(c2c2nc(OCCN(C)C)nn12)CC(C)(C)OC3 31816195 NNIYOLDQPFPXEA-UHFFFAOYSA-N 361.471 2.439 0 40 FEAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1 11518315 WSMNXTBWEZXQSK-UHFFFAOYSA-N 368.418 2.044 0 40 FEAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCNC1=O 11582651 KDTWUMPLRZHQIP-UHFFFAOYSA-N 350.802 2.247 0 40 FEAB O=C(NCc1ccoc1)c1sccc1S(=O)(=O)N1CCCCC1 45835504 IXETWLPOZQUZQF-UHFFFAOYSA-N 354.453 2.446 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2 4944345 AJYPYCJROMWOPJ-JTQLQIEISA-N 361.423 2.373 0 40 FEAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H]2OC(=O)[C@@H](O)[C@H]2O)cc1C 4991699 ASVMLLDTIZTDOP-CGXNFDGLSA-N 370.445 2.060 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2Cl)cc1 7977113 LMSYZTGHKKAFKY-UHFFFAOYSA-N 356.806 2.099 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 60481992 NUMLCPPMJDVXRX-UHFFFAOYSA-N 360.435 2.162 0 40 FEAB COc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)cc1 107738979 MJUFYZKUQWDMKV-ICSRJNTNSA-N 357.454 2.199 0 40 FEAB COc1cc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 101439120 LFYUHFAKNDSODW-ZNIXKSQXSA-N 355.774 2.174 0 40 FEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 8732521 HSGBDTBKOAPQDD-AWEZNQCLSA-N 368.389 2.450 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195320 SDTYKHKBISIIIT-CYBMUJFWSA-N 372.874 2.179 0 40 FEAB CC(=O)NCCNC(=O)CN1CCc2sccc2[C@H]1c1cccs1 53140561 VASYUTDZOMGEKN-KRWDZBQOSA-N 363.508 2.009 0 40 FEAB CCn1c(CNC(=O)c2nn(C)c(=O)c3ccccc23)nc2ccccc21 57822853 KRQZUSAWWOWQKS-UHFFFAOYSA-N 361.405 2.233 0 40 FEAB COc1ccccc1/C=C/C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 47299061 ANJZGKQMDQBDMR-CTDFXDFQSA-N 365.389 2.402 0 40 FEAB Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 22409598 KWISFVMINKLQBR-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)n(C)c3nc12 2917338 UUSHBQVHGPEOCI-UHFFFAOYSA-N 360.417 2.467 0 40 FEAB CC(C)c1cccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)c1 23187067 SBVRURMJYTXOJL-QGZVFWFLSA-N 371.481 2.292 0 40 FEAB Cc1cc(Cl)ccc1N1C(=O)c2sc3nc(=O)c(C)nn3c2C1=O 956221 XZCKDBNAGGQAHP-UHFFFAOYSA-N 360.782 2.222 0 40 FEAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 42625766 HTNDKPNOQOMJHW-UHFFFAOYSA-N 366.826 2.492 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)Cn1c(=O)cnc2ccccc21 12569337 RFMSCTDZCYCONQ-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB CN(C)C(=O)c1ccc(NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 12515206 NIEPRFKLIDNYLE-UHFFFAOYSA-N 355.394 2.210 0 40 FEAB O=c1[nH]c(Cc2ccccc2F)nc2sc3c(c12)CCS(=O)(=O)C3 55503945 NMXYMAYRMKOWFJ-UHFFFAOYSA-N 364.423 2.185 0 40 FEAB CCNC(=O)c1cc(C(F)(F)F)cc(C(=O)NCc2ccccn2)n1 43804542 YHDHEFYCIWOJSV-UHFFFAOYSA-N 352.316 2.175 0 40 FEAB CCc1noc(C)c1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 57294695 YADBBYHGVCXQJV-SNVBAGLBSA-N 351.428 2.408 0 40 FEAB CCc1cc2c(=O)n(C[C@@H](O)COc3ccc4c(c3)OCO4)cnc2s1 58163071 SJKWULRXXYLSKM-LLVKDONJSA-N 374.418 2.189 0 40 FEAB O=C(Nc1cccnc1-n1cncn1)c1ccc(OCC(F)(F)F)nc1 58195841 FTFNILQOHNSNIB-UHFFFAOYSA-N 364.287 2.251 0 40 FEAB Cc1ccccc1-c1noc(CSc2nnc(C)n2CC(=O)N(C)C)n1 58182915 ZLLROZZGQLHRHL-UHFFFAOYSA-N 372.454 2.325 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2sccc2-n2cnnn2)N(C)C)cc1 58291044 KYYQXXMPVSKOMW-HNNXBMFYSA-N 356.455 2.065 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)N1CCc2sccc2C1 22020243 CLRPYGNKUXXEPW-ZDUSSCGKSA-N 370.478 2.475 0 40 FEAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 12749483 QRQTURCGOPCPBX-JTQLQIEISA-N 371.933 2.235 0 40 FEAB O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1nc2ncccn2n1 36618741 RYINKXBPUZKZSV-UHFFFAOYSA-N 371.763 2.414 0 40 FEAB CCCN1C(=O)N/C(=C/c2cc(OC)c(O)cc2Br)C1=O 409251619 VACIMCDVDJAHTB-BJMVGYQFSA-N 355.188 2.466 0 40 FEAB O=C1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(F)cc2N1 12823643 LXNQJAIZSQPROM-ZDUSSCGKSA-N 352.369 2.487 0 40 FEAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O 12819697 DPAZRSVWDPATOH-VBKZILBWSA-N 360.454 2.444 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 3472854 BMSWZQAMICIVEY-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB COc1cc(OC)cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3564561 CKEZYPOQFUPSEP-UHFFFAOYSA-N 355.346 2.157 0 40 FEAB COc1ccccc1CNC(=O)Cn1cnc2cc3c(cc21)OCCO3 64794742 FPHSDAMJYZVWBT-UHFFFAOYSA-N 353.378 2.133 0 40 FEAB CCn1c(SCC(=O)NCCOC)nnc1-c1c[nH]c2ccccc12 4384774 LPVBKIYDGFAEGI-UHFFFAOYSA-N 359.455 2.301 0 40 FEAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccco4)c3)nc2)n1 65251084 YMPXUYJBVIGQPJ-UHFFFAOYSA-N 364.365 2.403 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 13986475 HCNBDGBMJLFAHH-UHFFFAOYSA-N 352.312 2.386 0 40 FEAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1ccc(C(F)(F)F)n1 27973897 GHZGOWVOMXMHKM-LLVKDONJSA-N 370.331 2.041 0 40 FEAB CC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6764327 RJWPBNIEFVGNLT-QMMMGPOBSA-N 354.428 2.151 0 40 FEAB C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)c1ccc2c(c1)CCC2 18822615 MGGUGLBSNPLEJE-CYBMUJFWSA-N 367.401 2.468 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130119 AWWLFJXEGNYKGR-MRVPVSSYSA-N 366.468 2.471 0 40 FEAB CCC(=O)NC(=S)NCc1ccc(-c2nn3c(CC)nnc3s2)cc1 408624537 UYJVVDVUBMCJHS-UHFFFAOYSA-N 374.495 2.316 0 40 FEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccs1 7247228 DKROMHUANSTLCQ-UHFFFAOYSA-N 364.370 2.425 0 40 FEAB O=C1COc2ccc(C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)cc2N1 95956812 FHRHXFKSVYWTEY-SFHVURJKSA-N 366.373 2.194 0 40 FEAB COc1ccccc1-c1nn(C)cc1C(=O)NC1CCC(C(=O)O)CC1 507295422 MQBMKKYWACIEJI-UHFFFAOYSA-N 357.410 2.469 0 40 FEAB CC1(C)OC[C@H]2C[C@@]21NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 529779200 AMRWZUXRSMXMDO-FOIQADDNSA-N 355.438 2.087 0 40 FEAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 36593239 QPFYTXSOJNHARL-BMIGLBTASA-N 362.817 2.282 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 39985671 OIEIRNLGLCXDLZ-FRIZHTMISA-N 364.417 2.204 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1F 71980253 JOHLLAWFHOWXMW-CQSZACIVSA-N 370.808 2.217 0 40 FEAB CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 568843841 PXFNGYUCFXYBGP-SCTDSRPQSA-N 358.486 2.130 0 40 FEAB Cc1cccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)n1 75154657 AOMWQAYSKPVQIX-UHFFFAOYSA-N 358.379 2.096 0 40 FEAB Cn1nnn(-c2ccc(NC(=O)CCSc3ccccc3)cc2)c1=O 75163145 WYJAMISYAFYABH-UHFFFAOYSA-N 355.423 2.087 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1)S(C)(=O)=O 222704353 MWOFLFYFYHSVJW-CQSZACIVSA-N 362.451 2.339 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(C)cc2)s1 224747671 HETIBBMWCJZDPC-UHFFFAOYSA-N 354.457 2.016 0 40 FEAB COC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CN1C 96215497 KEHZWUWBOMZFPA-MRXNPFEDSA-N 352.500 2.116 0 40 FEAB Cc1cccc(-n2cc(C(=O)N3C[C@@H](N)CC[C@@H]3C(F)(F)F)nn2)c1 583619896 VVTFBDCKPHNHMC-SMDDNHRTSA-N 353.348 2.070 0 40 FEAB COc1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc(C)n1 583618844 RHWQOBFNVSLRQZ-QWHCGFSZSA-N 359.348 2.070 0 40 FEAB CCN1C[C@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)C(C)C)C2 96036169 CZPGAAIVJIVEAQ-IBGZPJMESA-N 363.527 2.287 0 40 FEAB COc1ccc(N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)nn1 95479444 XQRRFKOWEVYTJO-UHFFFAOYSA-N 369.425 2.299 0 40 FEAB COc1cc(N2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)ncn1 253601058 IGNFCFCRVWDKKT-HNNXBMFYSA-N 371.441 2.038 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)c1 257300054 RSSDKZNGQXARBO-HOTGVXAUSA-N 356.447 2.309 0 40 FEAB CC(C)c1cc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cs1 257254523 KDLYJGUOZYYOOK-HOTGVXAUSA-N 352.500 2.169 0 40 FEAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)Cn3ccnc3)CC2)C1 257270214 MTEVMXAXBOZNMJ-SFHVURJKSA-N 372.444 2.309 0 40 FEAB Cc1cc(C)n(-c2nc(CCNC(=O)Cc3c(C)noc3C)cs2)n1 85473541 VZDZFZBGGWTHFE-UHFFFAOYSA-N 359.455 2.452 0 40 FEAB CCn1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)nc1C 543662017 IYBWVHNZKIWJGK-LLVKDONJSA-N 351.428 2.275 0 40 FEAB CC(=O)N1Cc2ccc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)cc2C1 663258489 DPBFQKGTPPPUHE-UHFFFAOYSA-N 372.450 2.092 0 40 FEAB C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1Cc1cnn(C)c1 585098277 SVRTVTKLKMDVOG-OAHLLOKOSA-N 352.442 2.210 0 40 FEAB CNC(=O)CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 69419373 MYKIRPXQXIOLPZ-UHFFFAOYSA-N 373.478 2.118 0 40 FEAB CCn1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)ccc1=O 108697263 IUAWGEZULNARSE-MRXNPFEDSA-N 353.422 2.359 0 40 FEAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 5238003 XWNBNHJVZOOLJP-SSDOTTSWSA-N 369.244 2.234 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 11362200 BDZHTKRCCNJFOT-UHFFFAOYSA-N 362.407 2.011 0 40 FEAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1nc3ccccc3[nH]1)C2 12120755 OJWHEKLTLZUFBG-UHFFFAOYSA-N 358.405 2.267 0 40 FEAB COCCNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156877 UWTILDFDXPSVNZ-INIZCTEOSA-N 364.417 2.268 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCCc3ccccc3)n2)o1 12182853 SXQFSJAOCNJXBV-AWEZNQCLSA-N 366.421 2.314 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccn1 14162594 BLBHPLSVPUXIQK-CQSZACIVSA-N 364.357 2.446 0 40 FEAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCC[C@H]2[C@@H]1N1CCOCC1 19376661 DDVCADSEIQHMPX-LRQRDZAKSA-N 368.481 2.208 0 40 FEAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2c(C)cccc12 19500306 NOUQUJHUGTYZSL-QGZVFWFLSA-N 356.514 2.469 0 40 FEAB COCc1nnc(NC(=O)CCc2c(C)[nH]c3ccccc3c2=O)s1 19577249 BPFRAXIVIPZNGW-UHFFFAOYSA-N 358.423 2.406 0 40 FEAB CCCc1nnsc1C(=O)N1CC(C(=O)Nc2cccc(OC)c2)C1 19747708 OEBUJBBWWAMEFX-UHFFFAOYSA-N 360.439 2.210 0 40 FEAB O=C1[C@@H]2CN(c3nc4cnccc4s3)C[C@@H]2C(=O)N1Cc1ccccc1 1888890637 BTBYRQKPRFXQHL-OKILXGFUSA-N 364.430 2.313 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1565542218 BPHUYKWDBYLBGO-NQIIRXRSSA-N 367.424 2.238 0 40 FEAB O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1ccc(Cl)c(Cl)c1 4249828 NNXMHWXPESOZNA-UHFFFAOYSA-N 370.221 2.455 0 40 FEAB Cn1/c(=N\C(=O)C2=COCCO2)sc2cc(Br)ccc21 12378195 NJYMOPLCQHLLGR-FYWRMAATSA-N 355.213 2.318 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H](Oc3cncc(OC)n3)C2)cc1 225497844 TUWNGQVHTQBWEJ-KRWDZBQOSA-N 371.437 2.496 0 40 FEAB Cc1cc(O[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)nc(C)n1 575609106 JBSAKMPYHDFHLK-INIZCTEOSA-N 369.421 2.435 0 40 FEAB O=C(NOCc1ccccc1)C1CCN(c2cc3c(nn2)CCC3)CC1 585150190 FUWIEDHNLIISMF-UHFFFAOYSA-N 352.438 2.430 0 40 FEAB CCCCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1 5271113 BLGSSESGORCWRF-UHFFFAOYSA-N 357.389 2.470 0 40 FEAB COc1ccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1OC 30709920 ADVAGAZBMVNIRW-UHFFFAOYSA-N 367.452 2.298 0 40 FEAB COc1ccccc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 31663653 LSXZXTYDJVKSOU-QGZVFWFLSA-N 355.438 2.236 0 40 FEAB CN1CCN(CC(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)CC1 31814049 SCSNHPYROYSSQH-GOSISDBHSA-N 359.445 2.304 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nn12 20726345 CCCIQPJHOMQVBF-UHFFFAOYSA-N 364.453 2.308 0 40 FEAB O=C(NCCC(=O)N1CCCC1)c1cc(C2CC2)nn1-c1ccccc1 32721374 ASUKTXCUHMXKKR-UHFFFAOYSA-N 352.438 2.492 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 29833727 HPFNDIMXRCMKLE-INIZCTEOSA-N 359.470 2.205 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 6654276 XJPZEXMPKBNDGK-MRVPVSSYSA-N 367.456 2.227 0 40 FEAB Cc1ccc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)s1 108530695 RNEFIXIVPYGFAI-AWEZNQCLSA-N 358.529 2.119 0 40 FEAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nnc2ccccn12 22422282 NVZYMAZPPRIACC-GXFFZTMASA-N 353.357 2.172 0 40 FEAB COc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1OC 22630224 JNXZMMJCVDFVRQ-KRWDZBQOSA-N 366.417 2.286 0 40 FEAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCCN(c2ncccn2)CC1 12409823 JJDNPIYJZHUTCG-QGZVFWFLSA-N 351.410 2.296 0 40 FEAB O=C(c1n[nH]c2ccccc12)N1CCN(CCOc2ccccc2)CC1 23642245 IZKNXXBKYRIJMO-UHFFFAOYSA-N 350.422 2.400 0 40 FEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cccc(Br)c1 37591603 YZKBHJUZNODEKC-SECBINFHSA-N 350.234 2.323 0 40 FEAB in-vitro COc1ccc(OC)c(CCNC(=O)N[C@H]2CCCc3c2cnn3C)c1 54760391 ZSHLBPSDSMXHOX-INIZCTEOSA-N 358.442 2.357 0 40 FEAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(CN2CCCC2=O)c1 24745778 HBASDDOMKQKHPS-UHFFFAOYSA-N 355.394 2.161 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1nnc2ccccn12 12567271 PTATUGNLXMWPST-UHFFFAOYSA-N 358.785 2.013 0 40 FEAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cnc(C)cn2)CC1 25202089 KTHYYFYBCODNSF-UHFFFAOYSA-N 360.845 2.405 0 40 FEAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 107326512 VCWVYVKXMQWPFT-QCQGSNGOSA-N 369.421 2.021 0 40 FEAB CCCCNC(=O)N1CCN(c2nc(C(C)C)nc3c(C)nn(C)c23)CC1 28557699 UOEURBOCTWSODK-UHFFFAOYSA-N 373.505 2.427 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCc2ccc(Cl)cc21 108456792 CXMHWFDHCRKVCQ-IYVPYFHTSA-N 356.809 2.036 0 40 FEAB CCC(=O)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 20984061 CMUWHNCKKCZFIQ-UHFFFAOYSA-N 353.454 2.248 0 40 FEAB COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccc(C)cc2)cc1 58031654 IMEAFQAVNXNOMC-UHFFFAOYSA-N 368.433 2.399 0 40 FEAB CCOC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCC2)cn1 58214316 AUUFCZWPYPFCJG-LBPRGKRZSA-N 358.485 2.300 0 40 FEAB Cc1csc2nc(CN3CCN(C(=O)C4CCCCC4)CC3)cc(=O)n12 58217528 FRMFOGOQGNPFQJ-UHFFFAOYSA-N 374.510 2.289 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)cc1)Nc1ccccc1O2 2251380 CXHTUNQESQIGRA-MRXNPFEDSA-N 351.362 2.097 0 40 FEAB CC1CCN([C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C(C)C)CC1 36398188 GIVKMRCVXKCJAC-GOSISDBHSA-N 361.486 2.037 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(F)ccc1F 3319836 QNWOZFDHKHZNJQ-IBGZPJMESA-N 371.343 2.297 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C 12795814 UCTJWHPHXVBPIH-LLVKDONJSA-N 373.507 2.300 0 40 FEAB Cc1cccnc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 48385165 BNULBQULZOUWHD-UHFFFAOYSA-N 359.407 2.195 0 40 FEAB CC(C)[C@@H](C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 3439307 DRTKRXJQEHUWKH-NEPJUHHUSA-N 354.834 2.162 0 40 FEAB CN(C)CCOc1ccc(CNC2CCN(c3ncccn3)CC2)cc1 48712981 JNYKFIGPXSUFEO-UHFFFAOYSA-N 355.486 2.176 0 40 FEAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCN(c2ncccn2)CC1 14159921 ZTZBYUFRBCPJPM-UHFFFAOYSA-N 374.448 2.113 0 40 FEAB COc1cccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 14242219 ZUSJOBZFJQGJEV-LJQANCHMSA-N 356.353 2.484 0 40 FEAB COc1cccc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c1OC 4600455 UHGMBJTXQFBWSG-OAHLLOKOSA-N 367.409 2.490 0 40 FEAB CCOC(=O)C(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OCC 8704636 YGYLTNONXOJNSV-UHFFFAOYSA-N 362.209 2.147 0 40 FEAB C[C@H]1CCC[C@H](C)N1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 8753575 BHHFAQPGIYIDDC-RYUDHWBXSA-N 373.906 2.498 0 40 FEAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cccc(Cl)c1 18263956 YZLOYHHMXVLCLT-JTQLQIEISA-N 367.810 2.416 0 40 FEAB CC(C)Oc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4938147 FRHKRKWUQBYTKN-UHFFFAOYSA-N 374.418 2.257 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(C)(=O)=O 6922564 UVQZRBXHIFIIGS-RRFJBIMHSA-N 366.483 2.074 0 40 FEAB Cc1cc(N)nc(SCC(=O)N2CCN(c3cccc(C)c3C)CC2)n1 7094496 USDANCVTQWMXDM-UHFFFAOYSA-N 371.510 2.425 0 40 FEAB COc1cc(OC)c(CN2CCCN(c3cccnn3)CC2)c(OC)c1 93150707 XCOAVWGGFHPYBM-UHFFFAOYSA-N 358.442 2.215 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1 72312015 QZAJUCFHXWSPDQ-ZIAGYGMSSA-N 362.499 2.131 0 40 FEAB Cn1ncc(Br)c1-c1nn2c(-c3cccnc3)nnc2s1 72405628 GPLREKWTTDTJSQ-UHFFFAOYSA-N 362.216 2.411 0 40 FEAB O=C(NCCOCc1ccccc1Cl)c1cccc(-n2cnnc2)n1 21721122 MGJLGYWBMRPAIZ-UHFFFAOYSA-N 357.801 2.262 0 40 FEAB C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CCN1S(C)(=O)=O 95989043 FGDGOOJCHCIDCK-QMMMGPOBSA-N 369.245 2.238 0 40 FEAB CC(C)(C)OC(=O)N1CCCN(Cc2noc(C3CCOCC3)n2)CC1 89662243 KKOQAFJUBPUPFZ-UHFFFAOYSA-N 366.462 2.406 0 40 FEAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Oc2ccccc2)cc1 22466397 ROQVMRRIXSTFRV-SFHVURJKSA-N 369.421 2.166 0 40 FEAB Nc1c(C(=O)N2CCOCC2)sc2nc3cc4c(cc3cc12)OCO4 35313280 XUXMVZOHQCTQBF-UHFFFAOYSA-N 357.391 2.233 0 40 FEAB COC(=O)[C@H](Cc1ccc2c(c1)OCCO2)NC(=O)OCc1ccccc1 38288941 MZOKZVPDGZZULN-INIZCTEOSA-N 371.389 2.468 0 40 FEAB CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2ccccc2)C1 1522006152 KJPUMXSUNBXGLP-NVXWUHKLSA-N 368.481 2.429 0 40 FEAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1Cl 32103218 WBYLXDXVOADINF-ZDUSSCGKSA-N 371.824 2.448 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3o2)c1 31646184 HJCNSNORPJKTFN-UHFFFAOYSA-N 361.423 2.068 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218590502 GZPIUKGUOFDJAC-WWGRRREGSA-N 374.890 2.073 0 40 FEAB CN1CCc2nnc([C@H]3CCCN(C(=O)CC4CCCCC4)C3)n2CC1 72370911 XHJNFGYNUCKHMU-KRWDZBQOSA-N 359.518 2.442 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980063 ORRRIABTFDAPIE-ZDUSSCGKSA-N 373.236 2.341 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)NCC1(O)Cc2ccccc2C1 225716462 JZRSEKSSIJQZHI-UHFFFAOYSA-N 367.854 2.157 0 40 FEAB O=C(CN1CCN(c2ccccc2F)C1=O)NCc1nc2ccccc2[nH]1 49381527 RUBZCARASBYWNW-UHFFFAOYSA-N 367.384 2.260 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 44168681 QNTFUGHEFRLMKO-INIZCTEOSA-N 367.384 2.377 0 40 FEAB CN(CC(=O)NCCCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 225616183 LCZIDVRFGLLDQM-UHFFFAOYSA-N 370.858 2.303 0 40 FEAB COc1ccc([C@H](C)NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225876642 KWAQMVBESRJXGP-VIFPVBQESA-N 369.468 2.323 0 40 FEAB COc1cncc(O[C@H]2CCN(C(=O)c3cc(Cl)ccc3OC)C2)n1 225392791 HPUPFEJEUFXJOD-LBPRGKRZSA-N 363.801 2.441 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC(C)C 225254249 IGVPHRPOLKNKGW-MRXNPFEDSA-N 356.488 2.402 0 40 FEAB Cc1nc(CN2CC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1 96224381 DAJZANNMHSCLEG-GOSISDBHSA-N 359.499 2.200 0 40 FEAB COC[C@@H]1CCC2(CCN(Cc3cccs3)CC2)N1S(C)(=O)=O 96209074 NGYIWJTYTAASHN-AWEZNQCLSA-N 358.529 2.153 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2nnc3n2CCCC3)cc1 583615549 HDZQGLDJCHASHM-XLIONFOSSA-N 356.470 2.495 0 40 FEAB Cc1cccc(CN2CC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1 96225810 KUBOFDBCPZNTDR-NRFANRHFSA-N 364.449 2.427 0 40 FEAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1cccc(Cl)c1)C2 247959644 DXPZZSWMLDRKEV-INIZCTEOSA-N 352.862 2.178 0 40 FEAB CCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 240714642 ANNAEUIZUCVUMY-UHFFFAOYSA-N 363.277 2.131 0 40 FEAB CCc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 257283771 OZUNYPCPGGXQNV-FQEVSTJZSA-N 354.454 2.143 0 40 FEAB COc1cccc([C@@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c1O 257339341 ZBHKZYCAMXZQNL-NZODBCNPSA-N 361.438 2.453 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257294708 QVINQDFRXMPWLY-OAHLLOKOSA-N 353.419 2.348 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(CCOc2ccccc2)CC1 257306073 SSUMUTBZPRXLFV-UHFFFAOYSA-N 354.454 2.371 0 40 FEAB CCCN1CCN(C(=O)c2ccccc2I)CC1 42200083 BNTJFJUQMVUYIM-UHFFFAOYSA-N 358.223 2.459 0 40 FEAB COc1ncc(C)cc1NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 266899282 GKGRDKZVPTVMTK-UHFFFAOYSA-N 370.409 2.094 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 1620755868 RGRPDWVZBWBVBM-INIZCTEOSA-N 355.419 2.186 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)Cc2cn3cccc(C)c3n2)cc1 624579015 KWILNEHUJLKGFY-UHFFFAOYSA-N 350.422 2.203 0 40 FEAB C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 665145730 QSGQDINLUUDSQU-HYUSYPKPSA-N 362.474 2.236 0 40 FEAB Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)CN(Cc1cccs1)C2 585110819 KRMSMFOWXPWIFW-GFCCVEGCSA-N 352.410 2.059 0 40 FEAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)s4)CC3)[C@H]2C1 585106050 HSKSTQPCTAFENU-CABCVRRESA-N 361.511 2.119 0 40 FEAB Cc1ncc(C(=O)N2CC3(C[C@H](COCC4CC4)CN3CC3CC3)C2)[nH]1 585093750 BYPQQCCUMKYGPO-KRWDZBQOSA-N 358.486 2.071 0 40 FEAB CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)c2cnn(C)c2)no1 96000613 PWPMQTMYCWBDBA-CYBMUJFWSA-N 353.448 2.233 0 40 FEAB Cc1ocnc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615158214 KZSMDXMLPVVXIC-UHFFFAOYSA-N 355.394 2.021 0 40 FEAB CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 5008430 KOQDHQHWWLMUOC-MRXNPFEDSA-N 368.499 2.019 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5240504 ALJABWDBQXZYAZ-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)c1 12522561 CZMFAPKRLVHOTC-JTQLQIEISA-N 360.443 2.087 0 40 FEAB COCC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 19765253 YEDMRCPZKPJPMU-HNNXBMFYSA-N 368.437 2.390 0 40 FEAB CC(C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935171 FBWIAIGOJUAIMA-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cnn(C)c2)C1 643913593 CJMIRLDESKQDKG-CYBMUJFWSA-N 370.482 2.116 0 40 FEAB O=C(c1cncc(Br)c1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 253473698 XJUBSZHKQSWPNC-STQMWFEESA-N 362.231 2.444 0 40 FEAB C[S@](=O)C1(CNC(=O)N2CCC(c3ccccc3C(=O)O)CC2)CC1 591269463 FKELMNARSDBKOD-VWLOTQADSA-N 364.467 2.185 0 40 FEAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)NCc2ccccc2)cc1 6551431 NBBNUEMDHIMVIG-CYBMUJFWSA-N 369.450 2.468 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@]12CCCN(Cc1ccccn1)C2 2037873453 LJRCNLXHPUHGPC-DYXWJJEUSA-N 351.450 2.286 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4c3CCCC4)C[C@H]2C)cn1 2086928081 JJWHMLJXTQILQB-OAHLLOKOSA-N 353.470 2.470 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(CCN(Cc3nccs3)C2)CC1 1565549309 UNUKVYYMYRSKEC-UHFFFAOYSA-N 371.510 2.380 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3cccc(F)c3)C2)C1 1565544214 GBFFFXQFBWWSTG-XODKDNOYSA-N 374.456 2.164 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](C)S[C@H](C)C1=O 2710880 JOXGZAFLAPTRRI-RKDXNWHRSA-N 356.831 2.166 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCCC1 4165872 PWQQKUJXLFXYIC-UHFFFAOYSA-N 371.828 2.248 0 40 FEAB O=C1[C@H](N2CCC(c3nnc(C4CC4)o3)CC2)CCN1CC(F)(F)F 1849081620 WPDPPLIMICPXSS-GFCCVEGCSA-N 358.364 2.290 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(CCc1ccccc1)C2 2055814219 SFQFJAXFDWMZIX-NRFANRHFSA-N 350.466 2.047 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)CSCc1ccccc1)C2 618256726 LQAVECYMVUNAJT-INIZCTEOSA-N 356.495 2.450 0 40 FEAB Cc1cc(C(=O)N[C@H](C)c2cc(C)sc2C)n2ncc(C(N)=O)c2n1 40155910 KSXQORRPCPPABU-SNVBAGLBSA-N 357.439 2.306 0 40 FEAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)NCc3ccco3)cnc12 40288484 IWZGZSQEPUVECF-UHFFFAOYSA-N 352.350 2.064 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1 6159127 RBRPPRSZDFZVEV-UHFFFAOYSA-N 352.456 2.104 0 40 FEAB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1 6948704 DBPMOOFXJWXBQQ-GOBGXLLKSA-N 362.389 2.370 0 40 FEAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 58168352 UYGYWNFBWDYEFW-CYBMUJFWSA-N 365.499 2.020 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 663915 IXXMGHIKDUHIMW-UHFFFAOYSA-N 350.362 2.316 0 40 FEAB Cc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cn1 108526224 UUAKZWFJHFAATR-QGZVFWFLSA-N 354.458 2.201 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(OC)cc2)c1C 8921539 VPRYKYFHRSFEAV-UHFFFAOYSA-N 360.366 2.222 0 40 FEAB COCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3174934 NBNKQSKALKYFMP-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB CCNC(=O)c1ccc(C)c(NCC(=O)NC(=O)NCc2ccccc2)c1 55858266 JFNGWJOKNDNIEG-UHFFFAOYSA-N 368.437 2.183 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl 56099884 HRMWRGCNROJWOO-LBPRGKRZSA-N 352.847 2.077 0 40 FEAB C[C@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCOCC1 47857345 HOUDSXWLDHJFAY-MRXNPFEDSA-N 374.481 2.107 0 40 FEAB CN(Cc1ccc(/C=C/C(=O)NCCc2ccccc2)o1)S(C)(=O)=O 20449840 FOZSOWRFFNVJES-ZHACJKMWSA-N 362.451 2.043 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 35877119 YHJBFALZYUQLJS-YAUQQCODSA-N 369.465 2.170 0 40 FEAB Nc1ccccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 10172999 JJKWHVQFSXLAAI-UHFFFAOYSA-N 373.478 2.373 0 40 FEAB CC1CCN([C@@H](C)CNC(=O)CCc2nc(-c3cccnc3)no2)CC1 58183578 AWCQGHRGYPVJND-HNNXBMFYSA-N 357.458 2.301 0 40 FEAB COC(=O)CCN(C(=O)c1ccc(Cn2cncn2)cc1)C1CCCC1 58246436 IIWDMFRQTFFRGD-UHFFFAOYSA-N 356.426 2.274 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccoc3C)n2C)CCO1 58209597 IMLYROYPKNJXCD-GFCCVEGCSA-N 350.444 2.113 0 40 FEAB CCOC(=O)CN(C(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)cc1 58304894 ZHDJLFZDLAIYMJ-UHFFFAOYSA-N 369.356 2.011 0 40 FEAB C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619290 CMBDLVIIDRDTHT-OAHLLOKOSA-N 364.453 2.396 0 40 FEAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCO[C@H](C)C3)c2)n1 48317548 BAKMTLXFKQANSI-CYBMUJFWSA-N 358.398 2.302 0 40 FEAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cn2nnc3ccccc32)c1 48344638 WOBMVZKLTWHYSP-CQSZACIVSA-N 365.437 2.276 0 40 FEAB O=C(CNc1cc(Cl)ccc1OCC(F)(F)F)N1CCNC1=O 12871417 QQQZUZQUNORHMI-UHFFFAOYSA-N 351.712 2.245 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc3c(c2)OCCO3)c1 12872099 CUHOQMSWFDPVBT-UHFFFAOYSA-N 354.406 2.121 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12892008 FDCFKJKEEGHQPO-LLVKDONJSA-N 360.426 2.280 0 40 FEAB Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1O 3457725 INGDPFLZAKUNCD-UHFFFAOYSA-N 374.418 2.145 0 40 FEAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(N2CCOCC2)cc1 3412833 CBISOOFXOUJIAM-UHFFFAOYSA-N 356.378 2.269 0 40 FEAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 12910347 QXPYZZVXYJCHBH-NWDGAFQWSA-N 368.480 2.344 0 40 FEAB CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(C)c2)s1 5015505 HXWMEGORJDOYGM-UHFFFAOYSA-N 361.456 2.115 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 5314603 OFWXLXQXLUKBGD-UHFFFAOYSA-N 366.464 2.336 0 40 FEAB COC(=O)N1CCC(NC(=O)NCCOc2ccc3c(c2)CCC3)CC1 66365424 KVOLVJMZFMJHRK-UHFFFAOYSA-N 361.442 2.084 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 8705890 QYEABHKMANVZKE-UHFFFAOYSA-N 374.824 2.379 0 40 FEAB O=c1c2c3c(sc2nc(SCCO)n1C[C@H]1CCCO1)CCC3 7038148 SIWRTLVANWPFRX-SNVBAGLBSA-N 352.481 2.210 0 40 FEAB COc1cccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1 15858550 FFJUKSYRPCDGCX-UHFFFAOYSA-N 360.391 2.014 0 40 FEAB CCOCCCNC(=O)CSc1nnc(-c2cccc(OC)c2)n1C 9155472 CRKXNHTYFQUOKI-UHFFFAOYSA-N 364.471 2.126 0 40 FEAB O=C(CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O)Nc1ccccc1F 409208261 BQJHMAFNSWRKJT-OQLLNIDSSA-N 357.316 2.496 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)c3ccccc3c2=O)CC1 22234449 OMKUKOXVUTVUJX-UHFFFAOYSA-N 356.422 2.437 0 40 FEAB CN(C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 306127929 GKYVLVIKBTXEPV-SFHVURJKSA-N 356.451 2.429 0 40 FEAB CC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)OC)c1ncc(C)s1 95461403 UCZLKDUZRLRQHG-LBPRGKRZSA-N 361.423 2.444 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 75380252 ADGXLGFOLSNXSP-LBPRGKRZSA-N 374.441 2.373 0 40 FEAB O=C(CN1CC[C@@H](OCc2ccccn2)C1)Nc1ccc2c(c1)OCCO2 89883758 GUJYBCUYEILFJR-QGZVFWFLSA-N 369.421 2.082 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)c1 21693375 ULULSLHXFRYCDI-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)s1 306133583 MQFPOPHUOXDBAV-KGLIPLIRSA-N 371.510 2.235 0 40 FEAB COc1ccccc1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 34887222 JLVJOHGDXBCAKK-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCCC3=O)cc1 503906356 FFJOMLFZYDQALO-UHFFFAOYSA-N 374.418 2.154 0 40 FEAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860358 PVJNUVZTCCECRG-UHFFFAOYSA-N 350.783 2.333 0 40 FEAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856966 BKASIIDRFYEEGN-CYBMUJFWSA-N 372.487 2.182 0 40 FEAB S=C(NCCN1CCOCC1)Nc1ccc(Oc2ccccc2)nc1 223894353 BLFHTIRNKKPKRN-UHFFFAOYSA-N 358.467 2.493 0 40 FEAB COc1ccc(NC(=O)N2C[C@@H]3Oc4ccccc4C(=O)N(C)[C@@H]3C2)cc1 514290360 YPQWDZQPIDECOU-AEFFLSMTSA-N 367.405 2.445 0 40 FEAB biogenic,in-vitro COc1ccc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 96061065 IZLPZWVDEFHEEK-KRWDZBQOSA-N 351.410 2.037 0 40 FEAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[C@H](C)S(=O)(=O)CC1 578827601 VNJZWYLEPNOXJX-AWEZNQCLSA-N 368.503 2.738 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1 96225215 FGQQXWIXZMVNJX-IBGZPJMESA-N 356.426 2.452 0 40 FEAB C[C@H]1COC(C)(C)CN1C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 331751972 AHKVOSMDCNEBPA-GJZGRUSLSA-N 351.491 2.377 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CO)C(=O)O)cc1 242464002 DSHNHVNKAHUZPF-ZHALLVOQSA-N 360.431 2.306 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cnc(C)cn3)n(C)n2)CC1 257236735 HDNBVIVGMMSMEA-WKILWMFISA-N 370.501 2.284 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3cncnc3)C2)ncn1 257283363 OXZICOONDWZHDR-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB Nc1nccnc1[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257308882 TYPHFBFKUXCYMV-QGZVFWFLSA-N 352.438 2.080 0 40 FEAB CC(=O)N[C@H]1CN(Cc2ccc3[nH]ccc3c2)C2(CCN(C(C)=O)CC2)C1 257316636 VGKHYPWEEIBFSM-LJQANCHMSA-N 368.481 2.259 0 40 FEAB CN(C)c1nc(C2CCN(C(=O)c3cccnc3)CC2)cn2nccc12 257299263 RPIRCILFHZFGOT-UHFFFAOYSA-N 350.426 2.210 0 40 FEAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)cs1 257216512 CUUUOKXLBMMHOP-CQSZACIVSA-N 357.439 2.496 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1ncc(Br)cn1 661233926 CIKYBGOFMGVONO-ZJUUUORDSA-N 357.252 2.414 0 40 FEAB Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc(OCC(=O)O)cc1)C2 663155456 JGAWRTUDJLVADH-UHFFFAOYSA-N 357.410 2.108 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)[C@@H]1n1cccn1 667834678 PKJWVSOTGSBMHP-JZXOWHBKSA-N 373.432 2.208 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCC(F)(F)CC2)C1 575405783 UFIFCWYGCOXCGQ-AWEZNQCLSA-N 354.401 2.070 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2ccccc2)C1)NCCc1ccccc1 585274732 YXPIDQMHTZERSB-QFIPXVFZSA-N 368.477 2.251 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3cccs3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585096389 LEPBKVGVOGLVBG-DYEKYZERSA-N 358.467 2.434 0 40 FEAB C[C@H]1c2ncc(CCOc3ccccn3)n2CCN1C(=O)c1cocn1 585096916 CHPXXKHZNPQPSQ-ZDUSSCGKSA-N 353.382 2.105 0 40 FEAB O=C([C@@H]1CCC(F)(F)C1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 684577344 YALKYKFICOGUOC-HZPDHXFCSA-N 368.424 2.006 0 40 FEAB O=C(NCCCn1nc2n(c1=O)CCCC2)C1(c2ccc(F)cc2)CCC1 58210755 LDZDDGAZLGFUBE-UHFFFAOYSA-N 372.444 2.148 0 40 FEAB CCCCO[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2cnccn2)C1(C)C 72310267 HJIUDXMMNMLMNN-HZPDHXFCSA-N 362.474 2.039 0 40 FEAB Cc1cc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c(N(C)C)nn1 667477126 URPAIABWBRNUBF-CMPLNLGQSA-N 361.368 2.473 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@](O)(COc3ccc(C)cc3)C2)on1 1615190356 GTGIJTCOWKEYDF-FQEVSTJZSA-N 374.437 2.357 0 40 FEAB Cn1ccc(NC(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)n1 1772595753 LELVIFYRMWFKQX-GJYPPUQNSA-N 352.438 2.450 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 5245942 VSUQKKOSJVKIKA-UGUYLWEFSA-N 359.378 2.236 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1N1CCCC1 12537286 DOQFZAUFUUJANY-UHFFFAOYSA-N 370.453 2.480 0 40 FEAB COc1ccc2c(c1)c(-c1nc(N(C)C)ncc1CNC(C)=O)cn2C 19022123 LWQMATLIFYXFHT-UHFFFAOYSA-N 353.426 2.346 0 40 FEAB O=C(c1ccco1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402903 ZYTMRWXKLFTSSZ-UHFFFAOYSA-N 350.378 2.445 0 40 FEAB CC1(C)Cc2cc(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)ccc2O1 19711022 RQJMHFXZJGVRCI-MRXNPFEDSA-N 367.497 2.474 0 40 FEAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2CC(=O)N(C)C)n1 19766988 FHGWGMKVYHTCOI-KRWDZBQOSA-N 373.501 2.026 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CC1 104083598 WJZMVVFEUOEOTO-KODHJQJWSA-N 368.408 2.124 0 40 FEAB Cc1ccccc1N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 589150324 HCLOWRVTMBTWEC-UHFFFAOYSA-N 370.478 2.139 0 40 FEAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCC(C)C)C3)cc1OC 9317398 HEAUXOUYRRATBF-QGZVFWFLSA-N 359.426 2.200 0 40 FEAB O=C(NCc1ccccc1OC(F)F)[C@H](Cc1ccccc1)n1cnnn1 26714154 DRIBOUGCODINRC-HNNXBMFYSA-N 373.363 2.375 0 40 FEAB COc1nn(C)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238897868 RFDBWPFSOXNHAV-CABCVRRESA-N 367.409 2.144 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)cc1 238878669 ORWFVIRWLGGBLH-LRDDRELGSA-N 374.422 2.105 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1cc2ccccc2oc1=O 5220721 HFPIRXZCHMDCNZ-AWEZNQCLSA-N 366.348 2.467 0 40 FEAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NC1CCCC1 12230963 OXQYRAVGWAMJFZ-UHFFFAOYSA-N 374.412 2.118 0 40 FEAB CCN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21 22732704 CDPNLAZRUWLVPN-UHFFFAOYSA-N 371.506 2.496 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCC[C@@H](CCO)c2cccs2)cn1C 575622192 XLVXVOYKGXSXRR-ZDUSSCGKSA-N 371.528 2.440 0 40 FEAB Nc1nnc(CC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)s1 19661345 SNOKVZGDDBBTBW-UHFFFAOYSA-N 371.388 2.030 0 40 FEAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cc(OC)c2c(c1)OCO2 40039059 ZHMWZMBWJPLTHP-INIZCTEOSA-N 374.393 2.490 0 40 FEAB C[C@@H](OC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(=O)N1CCNC1=O 31408392 GKRJXQJIGHUAEL-LLVKDONJSA-N 351.362 2.418 0 40 FEAB Cc1ccc2c(COC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc(=O)oc2c1C 16418279 VZRLIHPIAAAYQN-ZDUSSCGKSA-N 362.403 2.401 0 40 FEAB Cc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 29358818 UEQGEEXTAFIWJL-MRXNPFEDSA-N 351.468 2.332 0 40 FEAB O=C(NCCCN1CCc2ccccc21)C1CCN(C(=O)C2CC2)CC1 29521348 RKGDSLKQGHZUDE-UHFFFAOYSA-N 355.482 2.204 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 1985851 MDCUHYGGPJZYJV-INIZCTEOSA-N 352.390 2.217 0 40 FEAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCOCC1 21254619 MZRJZOUMMCZPFC-ZDUSSCGKSA-N 357.406 2.255 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)c1 6932785 KCFCUEFWPCDLLT-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2cc(C)c(O)c(C)c2)c1 7977190 PCLFWNMPPVDVLU-UHFFFAOYSA-N 370.405 2.441 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)N1CCC(C)CC1)c1ccc(C)cc1 37170312 OFFHBVHMEMFUJU-INIZCTEOSA-N 354.472 2.166 0 40 FEAB COC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533732 LPFXYMMIHHGRCK-OAHLLOKOSA-N 360.211 2.078 0 40 FEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1CS(=O)(=O)c2ccccc21 172328024 MHJAWARGQQGOBU-IRXDYDNUSA-N 357.431 2.335 0 40 FEAB O=C(CN1CCN(Cc2ccccn2)CC1)N[C@H]1CCCc2ccccc21 22921861 VUXMOSZTSBFNRH-NRFANRHFSA-N 364.493 2.393 0 40 FEAB NC(=O)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CC1 23350517 VLERSCGRTOTYMJ-UHFFFAOYSA-N 365.846 2.025 0 40 FEAB COc1ccc([C@@H](CNC(=O)Cc2cccs2)N2CCOCC2)cc1 23718630 OFNSRRLAVVYXQF-GOSISDBHSA-N 360.479 2.489 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 56154817 ITBZAVDCFGKWKQ-SECBINFHSA-N 362.361 2.235 0 40 FEAB COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 55397829 UTYUXJHTJGVDFI-INIZCTEOSA-N 371.359 2.227 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454523 JMDCZCVNHUOHPW-YOEHRIQHSA-N 362.445 2.152 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1 3237204 ASPBMKXKUYVYCD-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](CSCNC(=O)c1ccccc1)C(=O)O 1869210 IXDAEBLENDHMQG-LBPRGKRZSA-N 354.428 2.085 0 40 FEAB Cc1cn2c(=O)c(S(=O)(=O)NC3CCCCCC3)c(C)nc2s1 20922005 XLDJFIXBGAISQC-UHFFFAOYSA-N 355.485 2.374 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)N1CCCN(C2CC2)CC1 58264599 PYCMYGURUICPHU-UHFFFAOYSA-N 363.458 2.092 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 3367902 FRMUJHPKMDNESV-IYBDPMFKSA-N 360.454 2.366 0 40 FEAB COC(=O)c1cc(CNC(=O)COc2ccc(C)cc2OC)ccc1OC 48237798 LDZGXPWEPIDWSX-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1Cc1ccccn1 306124188 BISTXZVPUYIWOV-OAHLLOKOSA-N 362.437 2.180 0 40 FEAB Cc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C)c2C)c(C)c1Cl 36614529 XLDYSYJSXAWRCL-SECBINFHSA-N 359.883 2.125 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1C 36726396 JDRJOKRFCOBCCQ-CYBMUJFWSA-N 358.394 2.330 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cccc3nonc23)C1 12899092 GBYCFUIFOBXNKV-NWDGAFQWSA-N 367.434 2.201 0 40 FEAB biogenic CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 12893463 FNOCUTVKFQNGGM-SJCJKPOMSA-N 364.442 2.359 0 40 FEAB biogenic COc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O 3452616 XVCFOQQECYGFEB-GFCCVEGCSA-N 354.362 2.416 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1OC 3431407 CKUSUGCFVSOBJH-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB CNC(=O)NC(=O)[C@@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 3558194 ONVNEBDRRJCTOX-INIZCTEOSA-N 371.393 2.188 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@H](NC[C@H](O)c3ccccc3)C2=O)cc1 3618409 CEVDMHRNDCXSHC-OALUTQOASA-N 368.433 2.431 0 40 FEAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 17074302 ATNLBJXISDCFIW-STQMWFEESA-N 360.501 2.115 0 40 FEAB CCC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 69882213 BDKVWFNHAFLKMP-RTBURBONSA-N 373.497 2.431 0 40 FEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccc(F)cc2)CC1 6270286 PQGGHBRQAXXOHD-MRXNPFEDSA-N 369.444 2.181 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 39985666 OIEIRNLGLCXDLZ-WTANOLMUSA-N 364.417 2.204 0 40 FEAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCn3ccnc3)ccc12 5207895 NFRVBBOCGFMMQK-CQSZACIVSA-N 355.394 2.272 0 40 FEAB biogenic CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O 4469288 DBMPVQDZVLBJSI-UHFFFAOYSA-N 350.806 2.174 0 40 FEAB CC[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)Nc1cc(C)on1 14148652 DHXPZICEAZIOJQ-HNNXBMFYSA-N 369.381 2.197 0 40 FEAB O=C(c1ccoc1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306130887 JRVUUXJEYKVCRL-ZWKOTPCHSA-N 362.389 2.198 0 40 FEAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O 5706610 YNALRCYEYVXNKE-HOTGVXAUSA-N 363.458 2.098 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2ncc3ccccc3c2=O)c1 8756376 OPOSBAPBHSWBTC-ZDUSSCGKSA-N 367.405 2.291 0 40 FEAB CCOc1c(Br)cc(/C=C/C(=O)NCC(=O)O)cc1OC 62714716 AMWXDVPPFNJSFZ-SNAWJCMRSA-N 358.188 2.070 0 40 FEAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NC(C)C)C3=O)ccc2c1 8724322 DTXYMJZFLWEGDU-HXUWFJFHSA-N 369.421 2.140 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(Cl)s2)cs1 18387176 TYRBCLHRALHMOA-UHFFFAOYSA-N 365.841 2.150 0 40 FEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 67795932 QKQDKBMKBGNLMD-RHSMWYFYSA-N 373.453 2.170 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 16092308 HRINHQPGTMSKMQ-UHFFFAOYSA-N 367.254 2.456 0 40 FEAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1 8972036 BHWMNINSOIZXQN-UHFFFAOYSA-N 352.394 2.284 0 40 FEAB COc1cc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)cc(OC)c1 9219358 XOYLKZPOYBRMBF-UHFFFAOYSA-N 368.389 2.258 0 40 FEAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc3ccccn3c2=O)c1 9724957 REJRZGFNWKEBBI-MRXNPFEDSA-N 354.410 2.308 0 40 FEAB Cn1nc(Br)c2c(N[C@@H]3CCCCC[C@@H]3CO)ncnc21 84310279 HEFVKMLSGYCKMT-NXEZZACHSA-N 354.252 2.479 0 40 FEAB Cn1c(=O)n(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc21 9956581 ODVVKZTXSOUEGE-UHFFFAOYSA-N 360.417 2.406 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22528722 OHELAFBMQHJDLW-DYVFJYSZSA-N 360.435 2.091 0 40 FEAB Cc1cc(C2CCN(C(=O)Cn3cc(C(N)=O)c4ccccc43)CC2)n[nH]1 545449725 BIFXSFFITRQCBC-UHFFFAOYSA-N 365.437 2.178 0 40 FEAB C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 60376005 VTAAROIQHIGHEA-GOSISDBHSA-N 357.797 2.406 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2OC)c1 63147456 YQURWRJINZAWTA-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(-n3cccn3)nn2)c1 70635173 CLUACQKYCFXNJW-UHFFFAOYSA-N 368.422 2.352 0 40 FEAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)CC2)c1 670425458 CXUSPUIUBRUPNC-WTLGNFPFSA-N 370.449 2.257 0 40 FEAB CN(C)C(=O)CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 72378331 GYQVLSQUHJIWCM-QGZVFWFLSA-N 360.433 2.395 0 40 FEAB Cc1cn(-c2cccc(NC(=O)[C@@H]3COCCN3C3CCCC3)c2)c(O)n1 526024492 VJYSRASQIVXSHX-SFHVURJKSA-N 370.453 2.468 0 40 FEAB COC(=O)Cc1nn(CC(=O)Nc2cccc(C)c2)c(=O)c2ccccc12 40384873 NBGCBHTWAQCZGE-UHFFFAOYSA-N 365.389 2.059 0 40 FEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 224274782 PPHRINOCSVSEGW-UHFFFAOYSA-N 374.462 2.280 0 40 FEAB O=C(Cn1cnc(-c2ccccc2)n1)N1CCNC[C@H]1c1cccc(F)c1 574150883 PXGLSDOEDNDPBK-SFHVURJKSA-N 365.412 2.257 0 40 FEAB C[C@H](C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccn1 582953135 PEAGMHFXOXQNMG-AWEZNQCLSA-N 363.421 2.046 0 40 FEAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1)N1CCCC1 96057952 DYABJYIPWVDQHO-LZLYRXPVSA-N 350.484 2.119 0 40 FEAB O=C([C@@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)N1CCOCC1 623829877 XDAOCOUYOCHTQZ-CYBMUJFWSA-N 360.845 2.358 0 40 FEAB Cc1ccc(N2CCN(C(=O)c3cn(CCC(C)C)nn3)CC2=O)cc1 585082279 WMDVTRUREXQXQZ-UHFFFAOYSA-N 355.442 2.122 0 40 FEAB O=C(c1cscn1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257325719 WUCWVTYQEAWUCH-UHFFFAOYSA-N 367.438 2.487 0 40 FEAB Cn1cc(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)c2ccccc21 257232316 GKISAAXUOAEILC-HNNXBMFYSA-N 350.422 2.300 0 40 FEAB CN(CCc1ccccc1)[C@H]1[C@H](N)C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O 257210027 BSUXUPJMIAJNEP-ZRNYENFQSA-N 362.420 2.347 0 40 FEAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cnn2cccnc12 604850826 IETGADINGKKLQC-LBPRGKRZSA-N 373.363 2.339 0 40 FEAB C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccccc1 608546910 QXFLLXVOFOZMIM-BDJLRTHQSA-N 355.369 2.083 0 40 FEAB CCO[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C(C)C 626276785 LPNADHRYRUBDJT-INIZCTEOSA-N 370.471 2.176 0 40 FEAB COC[C@@]1(C)CN(Cc2ccc(C(=O)O)cc2Br)CCO1 629378705 IIRQDUNWMYFCKN-OAHLLOKOSA-N 358.232 2.385 0 40 FEAB Cc1nc(-c2cccs2)sc1CNC(=O)CSc1nnnn1C 90592711 JLRJXNOAWXOYIQ-UHFFFAOYSA-N 366.497 2.112 0 40 FEAB Cc1cccc([C@@H]2C(=O)NCCN2CCOc2ccccc2C(=O)O)c1 566510264 NDTQLLQZXUTEKI-GOSISDBHSA-N 354.406 2.245 0 40 FEAB Cc1cc(C)cc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)c1 585111913 IZHJNRKBXJFKML-GOSISDBHSA-N 374.510 2.139 0 40 FEAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 585278189 MUHHRAQSKNLZOJ-HXUWFJFHSA-N 359.470 2.174 0 40 FEAB CCN1CC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CC(F)(F)C2)C1=O 585093351 QQROXNMXEWFASA-INIZCTEOSA-N 353.369 2.272 0 40 FEAB COc1cccc2c1CCN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1)CC2 685941541 CWUDKCRLQIHREP-KRWDZBQOSA-N 354.454 2.474 0 40 FEAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc2[nH]nnc2c1 58223453 MZAUDTMNRRYZIV-CQSZACIVSA-N 350.300 2.440 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 5240606 ZZISNXOGSQPUOY-CQSZACIVSA-N 356.378 2.118 0 40 FEAB NC(=O)N1CCC(C(=O)OCc2nnc(-c3ccccc3Cl)o2)CC1 12736895 WJEYZVMFYXQGSB-UHFFFAOYSA-N 364.789 2.224 0 40 FEAB CC1=CC(=O)N2C(=NC(NCc3ccccn3)=N[C@@H]2c2ccc(C)cc2)N1 14607547 GCZJFQNYLCMDNL-SFHVURJKSA-N 360.421 2.240 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19590459 RRAKVSHTBYMRAG-HNNXBMFYSA-N 366.465 2.493 0 40 FEAB CO[C@@H]1CN(C(=O)CCn2ccnc2)C[C@]12C[C@@H](c1ccccc1)CO2 643587924 QCULXHYEBXMZMW-QWFCFKBJSA-N 355.438 2.073 0 40 FEAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cc1cccc(OC(C)C)c1)C2 560489617 VTZREQWBXGHPAV-QGZVFWFLSA-N 371.481 2.187 0 40 FEAB Cn1c(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cc(=O)n(C)c1=O 19288714 ZTYQZGXKNASOAT-UHFFFAOYSA-N 353.353 2.142 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(c4cc(C(F)(F)F)nc(C)n4)C[C@@H]3C2)nn1 1888853617 UKGSIRXTYBSKGP-BETUJISGSA-N 364.375 2.475 0 40 FEAB CCc1cnc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)nc1 1888859577 WUCSBAKVCKGXNK-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB CN(CCC(=O)N1CCc2c(ncn2C)C12CCOCC2)C1CCCCC1 1775962195 YNONJDSOIOIOIX-UHFFFAOYSA-N 374.529 2.465 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCOCC2)C1 2037845901 NEWUNVJFGGGTOY-GFCCVEGCSA-N 360.483 2.361 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565542533 MPJSMOFHFDFCFT-NQIIRXRSSA-N 350.418 2.154 0 40 FEAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccncc1)CSC2 5381121 NEHLZKDCGMKSHS-UHFFFAOYSA-N 359.455 2.035 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(OC)c(OC)c1 10256301 CVMVHIYEZOKBTQ-INIZCTEOSA-N 369.421 2.091 0 40 FEAB COc1ccc(CCC(=O)NCc2nnnn2-c2cccc(F)c2)cc1 10593774 MGBJTCNCABQQST-UHFFFAOYSA-N 355.373 2.059 0 40 FEAB COc1cnccc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)C2 2055803552 HDRWLZJMHCNLHL-UHFFFAOYSA-N 353.426 2.013 0 40 FEAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1cccnc1 21689683 YRVKSHKWCWXVTJ-UHFFFAOYSA-N 369.406 2.050 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 101544554 OVXVJMQWUNAWRT-GFCCVEGCSA-N 352.378 2.099 0 40 FEAB CSc1ccc(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1 40040205 UTFXTDUAWBELJF-UHFFFAOYSA-N 354.483 2.407 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1csc(-c2ncccn2)n1 40157479 ZBOJSIJGIFHZGH-HNNXBMFYSA-N 351.435 2.012 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 40107416 ZSZKXWXOQNOXGE-UHFFFAOYSA-N 359.393 2.244 0 40 FEAB CS(=O)(=O)Nc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 45816918 YHOLNZSCKTXNKX-UHFFFAOYSA-N 367.452 2.176 0 40 FEAB CC1CCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 32443507 VQVPUUMDNSEQHO-UHFFFAOYSA-N 367.393 2.089 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6699657 ARQDFFWTCTZARQ-FZCLSBEQSA-N 360.429 2.217 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1cccs1 7985327 BMVJEBUIEGOSHK-CQSZACIVSA-N 355.419 2.115 0 40 FEAB Cc1ncsc1-c1nc(CNC(=O)c2cc(-c3ccco3)[nH]n2)no1 84066560 DIYTZYLWDBWDJP-UHFFFAOYSA-N 356.367 2.415 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 61038863 FZEFFUVKTMUXIA-UHFFFAOYSA-N 373.459 2.388 0 40 FEAB O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1nc2ncccn2n1 2808546 NNARJLHOUUVPHC-UHFFFAOYSA-N 371.763 2.414 0 40 FEAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccncc1 779243 ZAFNJXWTTFHGJP-UHFFFAOYSA-N 353.451 2.328 0 40 FEAB CCOC(=O)Cc1c(C)c2c(OC(C)=O)cc(OC(C)=O)cc2oc1=O 727241 JOOZQEMPIRQMIP-UHFFFAOYSA-N 362.334 2.058 0 40 FEAB biogenic CCCN1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)[nH]2)CC1 20765194 MRKLFJWJEFYYFW-UHFFFAOYSA-N 359.499 2.426 0 40 FEAB CC1CCN(C(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 807697 OHURFBBWCHYZLH-LBPRGKRZSA-N 360.483 2.236 0 40 FEAB Cc1ccnc2nc(C(=O)/N=c3/sccn3Cc3ccccc3F)nn12 102901938 URIAJHSZZVEYGZ-HEHNFIMWSA-N 368.397 2.224 0 40 FEAB O=C1O[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccccc21 12458411 DULJZKGNYYETGC-IBGZPJMESA-N 350.418 2.113 0 40 FEAB Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CSC2 61721979 ITWZQENUNMWEFI-SNVBAGLBSA-N 360.414 2.298 0 40 FEAB CCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 172708243 RYRYTURSFWZPFT-UHFFFAOYSA-N 372.490 2.325 0 40 FEAB O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1ccc(F)cc1 102677559 XAXCJQGPSUHBLW-KZNAEPCWSA-N 351.381 2.361 0 40 FEAB O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404275 WPYFFKKZBUIZRX-STQMWFEESA-N 350.378 2.091 0 40 FEAB Cc1nnc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)o1 24753438 IOOUZHBTHMSJJF-AWEZNQCLSA-N 355.350 2.056 0 40 FEAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(C(=O)O)cc3)C2=O)c(OC)c1 25541218 WMNDFZNLCRKQCM-AWEZNQCLSA-N 370.361 2.146 0 40 FEAB O=C(O[C@@H]1CCCCC1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3276617 CTCVTAPGRBDRBE-CQSZACIVSA-N 371.480 2.204 0 40 FEAB COc1ccc(CCN2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)cc1 58184781 MJYBBKFAMNCQFY-HNNXBMFYSA-N 374.510 2.339 0 40 FEAB O=C(Cn1c(-c2cccnc2)noc1=O)N[C@@H]1CCCc2ccccc21 58147269 UUZNSDBVODCBLX-MRXNPFEDSA-N 350.378 2.092 0 40 FEAB O=C(Nc1ccc(F)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 58365958 FTXSVTYMTCFTCH-UHFFFAOYSA-N 362.426 2.308 0 40 FEAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1nc2ccccc2s1 48288367 GLQMGVQBFLBRTM-UHFFFAOYSA-N 366.402 2.429 0 40 FEAB COCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206777 FFOFKKMGLIHQRU-CQSZACIVSA-N 374.462 2.203 0 40 FEAB CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12819692 DPAZRSVWDPATOH-VLIAUNLRSA-N 360.454 2.444 0 40 FEAB COc1ccccc1Oc1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 12918947 VIBPTJPMPQVFJV-CQSZACIVSA-N 369.377 2.414 0 40 FEAB CC1(C)[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)s2)[C@@H]1C=C(Cl)Cl 13569769 UDIDEKIWVALCJN-CAHLUQPWSA-N 370.283 2.471 0 40 FEAB CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc3ncccc23)cs1 13733591 ZBDQDZCBSHNRBW-UHFFFAOYSA-N 362.436 2.244 0 40 FEAB CCn1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C(C)C)c(C)n1 13733063 PMEQFRHDYFMEDG-SJLPKXTDSA-N 363.483 2.269 0 40 FEAB C[C@@]1(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CCS(=O)(=O)C1 49959212 YICCHUPLOPOWEY-QGZVFWFLSA-N 367.398 2.305 0 40 FEAB COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccccc1F 14093399 ALEPMNUSVLOEED-UHFFFAOYSA-N 351.399 2.315 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1 4778668 CVMASGIPFKIXST-CYBMUJFWSA-N 364.389 2.372 0 40 FEAB O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3cccs3)cc2[nH]1 18199389 LJAKQVPCRBLOTM-UHFFFAOYSA-N 374.241 2.481 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)[nH]1)NC(=O)NCc1ccccc1 5932375 QGRYBZNBWYUYGG-UHFFFAOYSA-N 368.418 2.041 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408592878 MEXVGSXBEPAARI-UHFFFAOYSA-N 356.488 2.086 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCC(C)CC1 9094925 GOPGOSDBACTTAF-GFCCVEGCSA-N 374.890 2.274 0 40 FEAB O=C(Nc1cccnc1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 8992873 XJSJYMGDTZZDQY-UHFFFAOYSA-N 357.805 2.256 0 40 FEAB O=C(Cn1nc(-c2ccco2)oc1=O)Nc1ccc(OC(F)F)cc1 9114198 LTDGZIKWOAVPCN-UHFFFAOYSA-N 351.265 2.336 0 40 FEAB CN(Cc1ncc(-c2ccccc2Cl)o1)C[C@H](O)CN1CCOCC1 83245240 JJZIFRFFJLZBNJ-AWEZNQCLSA-N 365.861 2.120 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)s1 9482689 JLDUVXJBJLDHMC-ZDUSSCGKSA-N 369.450 2.244 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 27745424 LSYWUFJKTCJQMU-PBHICJAKSA-N 362.401 2.376 0 40 FEAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCCC(=O)N(C)C)C1 72083999 KWGWWIHIQGMIGU-CQSZACIVSA-N 366.893 2.252 0 40 FEAB C[C@@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 97102674 ZLGXSXDTPFYMRZ-WBMJQRKESA-N 371.441 2.070 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(Br)ncc1N 95466511 NQLLRDNSCRCQBV-UWVGGRQHSA-N 370.247 2.373 0 40 FEAB O=C(Nc1cc(F)cc(F)c1)N1CCC(C(=O)N2CCOCC2)CC1 78522015 QVSHLIRINYHVBK-UHFFFAOYSA-N 353.369 2.068 0 40 FEAB Cc1c(S(=O)(=O)N2CCc3ccccc3C2)cnn1-c1ccccn1 78876352 WNNADQUAYOMSRT-UHFFFAOYSA-N 354.435 2.323 0 40 FEAB COc1cc(C(=O)NCC(=O)Nc2ncccc2C)ccc1OC(F)F 9945348 FHFXPYIKDORLMY-UHFFFAOYSA-N 365.336 2.369 0 40 FEAB Cc1cc(O)nc(-n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2C)n1 36708140 MEXCSPGDDSCMAG-UHFFFAOYSA-N 367.365 2.008 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCSCC3)cc(C)c21 71195953 PZKHRUNPWHHFBL-UHFFFAOYSA-N 368.524 2.377 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1OC 224803311 SMBZFCDNOZSWDC-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB Cc1cccc(OCCN(C)C(=O)Cn2ncc(=O)c3ccccc32)c1 40001062 INLVVSPVOLIMTN-UHFFFAOYSA-N 351.406 2.242 0 40 FEAB Cn1cc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)nn1 581284748 YSGZNJMRBIPWAZ-UHFFFAOYSA-N 352.402 2.012 0 40 FEAB COc1ccnc(N2CCN(Cc3ccc(C(=O)O)c(Cl)c3)CC2)n1 576589796 DZMREDKJIKGRSZ-UHFFFAOYSA-N 362.817 2.159 0 40 FEAB COc1ccc(Br)c(CO)c1OCC(=O)N1CCCCC1 95095172 MSJACQJRTASNTJ-UHFFFAOYSA-N 358.232 2.341 0 40 FEAB CC(C)c1n[nH]c(NC(=O)CCCCCn2nnc3ccccc3c2=O)n1 95479560 XQDZKZYNHUOPEF-UHFFFAOYSA-N 369.429 2.232 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227729 SFLJNXXWWWVPBJ-GDBMZVCRSA-N 356.513 2.206 0 40 FEAB O=C(O)c1ccccc1-n1nc(C2CCOCC2)nc1-c1cccc(=O)[nH]1 96147969 CZTYXROZOUCYJN-UHFFFAOYSA-N 366.377 2.215 0 40 FEAB CC1(c2cc(NC(=O)N3CCCC[C@H]3CS(C)(=O)=O)no2)CCCC1 583548404 MLTKZZFYZOXQHW-ZDUSSCGKSA-N 369.487 2.937 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NCC4CCC4)nc3[C@@H]2C)no1 247947429 WZMQVIJXQYYMGP-AWEZNQCLSA-N 357.458 2.215 0 40 FEAB O=S(=O)(C1CC1)N1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 247296839 CSIFBDHTZGXUSJ-QGZVFWFLSA-N 368.499 2.170 0 40 FEAB CC(C)[C@H](C(=O)N1CCOCC2(CC2)C1)n1nnc(-c2ccccc2)n1 542058429 WINNDJMCIZAMKR-MRXNPFEDSA-N 355.442 2.176 0 40 FEAB NC[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515682 MOCLUVQWQPIJMY-BBWFWOEESA-N 351.855 2.217 0 40 FEAB COc1ccc(F)cc1CC(=O)N1CCN(CCc2ccncc2)CC1 636294515 CAFQZQRPJYWWSH-UHFFFAOYSA-N 357.429 2.159 0 40 FEAB Cc1ncc(-c2ccccc2)cc1NC(=O)CN1CCCC[C@H](O)C1=O 644409821 MQVRYFUDJXIAQY-SFHVURJKSA-N 353.422 2.369 0 40 FEAB Cc1c(Br)cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c(=O)n1C 683418620 SWMYWTPYOOJQPN-UHFFFAOYSA-N 366.219 2.094 0 40 FEAB CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc4ccccc4n3)n2C)C1 574293359 VLYLPUXOGHDZJB-OAHLLOKOSA-N 364.453 2.335 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccccc3F)CC2)C1 585103866 SKTBPRIWOYXQGR-MRXNPFEDSA-N 364.461 2.273 0 40 FEAB C[C@H]1c2ncc(CCOCc3ccncc3)n2CCN1Cc1cn[nH]c1 585096794 AUTVHROVHUICQO-HNNXBMFYSA-N 352.442 2.337 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C/C=C/c2ccccc2F)C1 685941944 DTFBLVXZTLTLAF-PRGDVBBNSA-N 358.417 2.028 0 40 FEAB Cc1cc(Cl)ccc1OCCCNC(=O)CCN1C(=O)CCC1=O 56447833 IKYSCIKEXICJKS-UHFFFAOYSA-N 352.818 2.073 0 40 FEAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccs1 1053961 NJVJKBLSZWEMRB-JXMROGBWSA-N 360.416 2.321 0 40 FEAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCn2cncn2)cc1 12145675 NIUBOQZCCPGLBE-KRWDZBQOSA-N 366.425 2.056 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)OCO2 12360244 AAGYRUQWSQMMAM-UHFFFAOYSA-N 355.375 2.383 0 40 FEAB biogenic,in-vitro Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)c2ccccc2F)CC3)cn1 13227861 FAYSMJSWHBWNOZ-UHFFFAOYSA-N 365.368 2.285 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1Cl 13849713 BXDPQKWJKNSOBI-UHFFFAOYSA-N 354.815 2.177 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 13960407 YOMSUTUJJXGCQM-XRGAULLZSA-N 357.797 2.252 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19021643 HPNGXDNJGWKZAS-INIZCTEOSA-N 369.469 2.074 0 40 FEAB Cc1nccc(-c2cccc(-c3noc(CN4CCN(C)CC4)n3)c2)n1 19287603 RXXIZIRXBWZDHT-UHFFFAOYSA-N 350.426 2.249 0 40 FEAB CN1CCc2nc([C@H]3CCCN3C(=O)c3cc(C4CC4)nn3C)ncc2C1 19288824 SWTKIMAKXWVTPA-QGZVFWFLSA-N 366.469 2.053 0 40 FEAB COc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590619 UVTIZAXTTSPJSV-INIZCTEOSA-N 366.465 2.032 0 40 FEAB Cc1ccc(NC(=O)NCc2cccnc2N2CCN(C)CC2)c(C)n1 152225187 TUWHVRYWLDDLMA-UHFFFAOYSA-N 354.458 2.167 0 40 FEAB Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1OC(F)F 501603142 JDQZRVNBDUKKAA-CHWSQXEVSA-N 368.384 2.261 0 40 FEAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1 101866595 HZXXHIKSENHNKT-IBGZPJMESA-N 366.465 2.280 0 40 FEAB COC(=O)C1(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)CCCC1 225724666 HQHAOPLMFDSHAQ-ZDUSSCGKSA-N 350.440 2.182 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H]1C 15791766 QWLACALDFJPNNY-XJKCOSOUSA-N 356.463 2.387 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 16891400 OZQJBUTVBNYOGW-UHFFFAOYSA-N 361.417 2.285 0 40 FEAB CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@H](/C=C/C(=O)O)[C@@](C)(O)[C@H]1O 252506079 OZESVNMBZAEFCX-FCNHWUKPSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro C[C@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br 36350862 DTUAYRAUUVHGGO-VIFPVBQESA-N 361.261 2.111 0 40 FEAB COc1ccccc1-c1ccc(N2CC(N(C)c3ncc(F)cn3)C2)nn1 1888890525 ZSTLXWXRORDDFC-UHFFFAOYSA-N 366.400 2.406 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)[nH]1 1889128273 NQNWBDFECNSDBD-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 22557220 IXJWHUOHKDQRJQ-UONOGXRCSA-N 370.405 2.432 0 40 FEAB COC(=O)C[C@H]1C(=O)NCCN1Cc1sc2ccccc2c1Cl 35355438 LIVSUGGQRGKBOV-NSHDSACASA-N 352.843 2.418 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CCC(O)(COc3ccccc3)CC2)ccn1 2037909217 DRICSNUWYAHRJP-UHFFFAOYSA-N 369.421 2.086 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1614931923 RSLUEEUNBZCMCR-QGZVFWFLSA-N 367.453 2.066 0 40 FEAB Cn1ccc(CC(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)n1 1565542355 RMZCSZRYFNANGJ-GOSISDBHSA-N 358.467 2.070 0 40 FEAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 1565522269 FQNSEECVRUZUEJ-UHFFFAOYSA-N 354.454 2.170 0 40 FEAB O=C(C(=O)N1CCCCC1)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007595 LAGZKXGBUUDKRT-UHFFFAOYSA-N 367.449 2.459 0 40 FEAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc2c(c1)OCO2 13701925 KVFSIWLTXUYJMF-UHFFFAOYSA-N 372.406 2.285 0 40 FEAB CSc1cccc2sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 16975414 MGXLKZZIRZGZLC-VIFPVBQESA-N 371.509 2.381 0 40 FEAB O=c1ccc(-n2cccn2)nn1CC1CCN(c2ccncc2Cl)CC1 585502324 RZSQMSNTSMMNFE-UHFFFAOYSA-N 370.844 2.394 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(CC3(O)CCCCC3)CC2)n1 2298188588 BRLNSDWHMWDYGG-UHFFFAOYSA-N 359.518 2.202 0 40 FEAB Cc1ccccc1OCC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 40090528 XGCZNYWSFYHOAV-IAGOWNOFSA-N 374.481 2.248 0 40 FEAB O=C(CN(C[C@H]1CCCO1)C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 40120161 MNZBJVJTOWNENS-RTBURBONSA-N 371.481 2.283 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1 40121575 YEZIAJGJHNYILN-GUYCJALGSA-N 360.458 2.300 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(N)=O)c1 40155281 XLYBGTVVAYOFTK-GJZGRUSLSA-N 361.442 2.351 0 40 FEAB COc1cccc2c1ccn2CCC(=O)N[C@@H](CCSC)C(=O)O 40309500 BAJRQYXVJJBOCV-ZDUSSCGKSA-N 350.440 2.363 0 40 FEAB biogenic CCCn1c(C(=O)N(CC)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 11845329 YSRWYXULMQZBDN-UHFFFAOYSA-N 368.437 2.115 0 40 FEAB CCOC(=O)C(Cc1cccc2ccccc12)(NC(C)=O)C(=O)OCC 1571008 LGRLDHYLVHVRRC-UHFFFAOYSA-N 357.406 2.383 0 40 FEAB C[C@@H](CC[C@H]1CCCO1)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102043463 VCQPJDVXBKOSTO-WCQYABFASA-N 361.467 2.300 0 40 FEAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nc(-c2ccco2)no1 32754344 MGUUGJAVKOJRBZ-SFHVURJKSA-N 350.334 2.223 0 40 FEAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccc(F)cc1 4487862 CYQBIBRVAZRZGH-JAAXMTQOSA-N 367.373 2.161 0 40 FEAB CCN(CC)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1ccccc1 4983535 DUCYYNZBWCJTOP-KNTRCKAVSA-N 368.481 2.254 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)Nc1ccccc1 32833345 BWCWJUVNQUMLID-UHFFFAOYSA-N 352.438 2.324 0 40 FEAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6363805 YHVJWRSELXTZGO-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB CN(CCOc1ccccc1)C(=O)NCc1ccc(-n2cccn2)nc1 32802656 LFXGHMJNVVBGFA-UHFFFAOYSA-N 351.410 2.488 0 40 FEAB NC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)nc1 58004938 MMFDQHLRWOGWJC-UHFFFAOYSA-N 367.146 2.037 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CCc3ccco3)ccc21 9583898 RSBRMSKKGYTUET-ZDUSSCGKSA-N 362.451 2.488 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 714470 JPUFBYQNQKVOGO-MCYUEQNJSA-N 373.714 2.164 0 40 FEAB CC(C)[C@@H](NC(=O)COC(=O)CN(C)c1ncccn1)c1cccs1 23199655 RRMNVFBBEFNWDA-MRXNPFEDSA-N 362.455 2.031 0 40 FEAB CCOc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O 972296 ZAJHQCAFPYIHHY-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB C[C@@H]1CCCN([C@H](C)CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 105682061 WRBCFWLPJJFROZ-HUUCEWRRSA-N 359.474 2.458 0 40 FEAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 24433215 UCUFOASTIRIHEM-UHFFFAOYSA-N 367.354 2.486 0 40 FEAB Cc1cc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)ccc1F 21981151 OXIJYCZGBYBPEW-KRWDZBQOSA-N 369.389 2.437 0 40 FEAB CCN1CCN(c2ccc(NC(=O)C3CCN(C(C)=O)CC3)c(C)c2)CC1 25187301 IGKBFSGAZMALEO-UHFFFAOYSA-N 372.513 2.334 0 40 FEAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)c1ccc(NS(C)(=O)=O)cc1 12526017 UXIHTCDQWBVVFI-LLVKDONJSA-N 352.437 2.055 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc12 12538776 AWCQWAIIMKDLAK-RYUDHWBXSA-N 355.419 2.494 0 40 FEAB CCC(CC)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 78518736 NBTPECJEWSECHK-UHFFFAOYSA-N 371.478 2.278 0 40 FEAB CC(=O)N1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 101502273 MJQTYJCXRYEAIW-IYBDPMFKSA-N 367.490 2.008 0 40 FEAB COc1nc(N2CCCCC2)nc(N2CC(=O)[C@H](c3ccccc3)C2=N)n1 103204392 CVZDSOBDGUCQSG-HNNXBMFYSA-N 366.425 2.021 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC(C)C 10008961 ZULINDTVCJMPNA-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB CCCCn1nc(C)c(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1Cl 58246666 STMSLHPQKNCRDD-YBJDMEARSA-N 373.906 2.304 0 40 FEAB C[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 12989112 YRYVNBWNEMTNEP-PXAZEXFGSA-N 373.840 2.270 0 40 FEAB O=S1(=O)N[C@H]2CN(Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 306126059 DKUXKWXVADZSOV-WMZOPIPTSA-N 373.478 2.041 0 40 FEAB CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C(=O)OC)c1C 14138332 FKUMSVJLRYRVKN-UHFFFAOYSA-N 356.444 2.346 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)oc2cc(O)ccc12 8879924 AASNJZKAXNNCFH-GFCCVEGCSA-N 359.378 2.063 0 40 FEAB biogenic C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 17636013 MSDKKWCRXWGFHJ-WPRPVWTQSA-N 352.239 2.064 0 40 FEAB CCCCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)n[nH]c1=O 7345753 ZCWNYAFXSCHLBN-UHFFFAOYSA-N 359.455 2.100 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 8772571 KCOKZMVJYWCCRG-JTQLQIEISA-N 357.366 2.390 0 40 FEAB COc1ccc(CCNC(=O)CSc2ccccc2C(N)=O)cc1OC 8708148 NCTAJBGFNHGUQP-UHFFFAOYSA-N 374.462 2.254 0 40 FEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NCc1ccccc1 9126532 KJPHEOLKXWZCPV-UHFFFAOYSA-N 354.435 2.028 0 40 FEAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)NC(=O)NCc1ccco1 9468322 WNBUTBVRRMFYLK-UHFFFAOYSA-N 353.281 2.039 0 40 FEAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 9606136 DZJUXEHITULOGY-AWEZNQCLSA-N 359.451 2.380 0 40 FEAB CCN(C)C[C@@H]1CCN(c2nccnc2N2CC[C@H](CN(C)CC)C2)C1 95997133 MTFBSGFRQJBXLS-HDICACEKSA-N 360.550 2.033 0 40 FEAB CN(Cc1ccncc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999921 VASVGBUMEMYCFQ-SFHVURJKSA-N 373.478 2.148 0 40 FEAB Cc1sc(NC(=O)CCC(=O)O)c(C(=O)NCc2cccnc2)c1C 32579073 PTSBJNUFMIVCSS-UHFFFAOYSA-N 361.423 2.493 0 40 FEAB C[C@H](NS(C)(=O)=O)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 183307455 CXLKBFCRBWGWQA-KYXFNPKGSA-N 356.513 2.470 0 40 FEAB CCc1cc2cc3c(cc2n2c(=O)n(CCN4CCCC4)nc12)OCO3 72346881 CBBYDQYJAWLDDG-UHFFFAOYSA-N 354.410 2.036 0 40 FEAB O=C(NC1CCCC1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71287979 RNTQUKHTSIZZII-UHFFFAOYSA-N 354.366 2.100 0 40 FEAB O=C(NCc1cc(Cl)sc1Cl)N1CCOC[C@H]1c1nc[nH]n1 564781447 DLOKKWSBJRCSPJ-QMMMGPOBSA-N 362.242 2.456 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@H](C)C1 36047887 RCXCLLFEQPTQEZ-WMLDXEAASA-N 350.484 2.022 0 40 FEAB CC(=O)c1cccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)c1 225878289 CIYDMZQXNVJSAW-UHFFFAOYSA-N 353.425 2.278 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2F)CC1 40039588 GVFGLIDZRPTBEV-UHFFFAOYSA-N 353.413 2.027 0 40 FEAB Nc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl 42783828 JXJZQCMQAXGUER-UHFFFAOYSA-N 365.886 2.429 0 40 FEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCC(F)(F)F 44197112 HPMPYSKJRPUFKL-UHFFFAOYSA-N 352.378 2.364 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 224393173 WRCWBUIXEODRDE-UHFFFAOYSA-N 360.848 2.019 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc(Cl)cc1 224282181 JPIRSJNFDOJKTG-IYBDPMFKSA-N 360.841 2.340 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1 224858418 KAVAYZARIGCTPU-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB CCN(c1ccc(C(=O)Nc2nnc(SC)s2)cc1)S(C)(=O)=O 224240177 BTQLALGRJJBPLP-UHFFFAOYSA-N 372.497 2.298 0 40 FEAB Cc1ccc2nc(CO[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3F)[nH]c2c1 96112077 WDHKGJIJAZNORV-PBHICJAKSA-N 361.417 2.363 0 40 FEAB biogenic,in-vitro Cc1ccsc1-c1nc(=NC(=O)N2CC[S@](=O)C[C@H](C)C2)s[nH]1 583485659 CAUDRUCZLXVNOT-WBNWAKSLSA-N 370.525 2.229 0 40 FEAB O=C1C[C@H](c2cccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c2)CN1 533399024 XTNQAUCGQIOLMZ-BLLLJJGKSA-N 367.380 2.494 0 40 FEAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cccnc1)CC2 96260550 KHDSAEOSRMNCPT-UHFFFAOYSA-N 365.481 2.259 0 40 FEAB COCCn1cc(CC(=O)NCc2nnc3ccccn23)c2ccccc21 95477572 QATQEBJSCYJVBG-UHFFFAOYSA-N 363.421 2.189 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 257294633 QUZUDEHZUUAIGJ-KRWDZBQOSA-N 356.470 2.344 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc[nH]n2)c2ccccn2)CC1 257239041 HNQYKAKMJGOINT-MPGHIAIKSA-N 355.442 2.218 0 40 FEAB Cc1cc(F)ccc1CC(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257239087 HNXMPGAXMVZLCN-KRWDZBQOSA-N 359.401 2.032 0 40 FEAB COC1(CS(=O)(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)CCC1 634793861 DQFADGJSSLGAHE-LBPRGKRZSA-N 352.456 2.467 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)Nc2c[nH]nc2Br)c1 1143492274 OQNVBQSHEJYJHJ-UHFFFAOYSA-N 351.160 2.255 0 40 FEAB O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1noc(-c2cccc(F)c2)n1 673656593 LODDBSLHNDGOGV-UHFFFAOYSA-N 367.296 2.471 0 40 FEAB O=C(CCCSc1ccccc1)N1C[C@@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1776006079 LYSGOOQXUSOXLH-QZTJIDSGSA-N 363.435 2.337 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1cccnc1 48189913 CHKCRSCBANZSJF-VIFPVBQESA-N 368.256 2.340 0 40 FEAB CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 502496640 TUSJDFVXDLXNCZ-LSDHHAIUSA-N 358.360 2.261 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 630222268 FUDPRQFHNAAATM-UPJWGTAASA-N 350.381 2.363 0 40 FEAB Cc1nn(CC(=O)NC2CCCC2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228353 OJFLWZJCWUGTII-UHFFFAOYSA-N 369.400 2.089 0 40 FEAB COC(=O)c1ccc(NC(=S)N2CCCN(c3ncccn3)CC2)cc1 13691650 PUFJEYMLBIESFW-UHFFFAOYSA-N 371.466 2.172 0 40 FEAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 16040613 JGOUIELVSPTAER-GXTWGEPZSA-N 371.437 2.121 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 17334770 KQDWVEHEARSTDR-AWEZNQCLSA-N 362.451 2.021 0 40 FEAB Cc1ccn2cc(C(=O)N[C@H](C)c3cc(=O)[nH]c(-c4ccccn4)n3)nc2c1 19238185 UJBMQHFYNQZJSP-CYBMUJFWSA-N 374.404 2.279 0 40 FEAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)n1 19594308 NETSNZVVXFHVDJ-HNNXBMFYSA-N 373.453 2.313 0 40 FEAB Cc1cc2oc(=O)cc(CN(C)[C@H]3CCS(=O)(=O)C3)c2cc1Cl 20679351 BAUWZKPBJIHCOW-LBPRGKRZSA-N 355.843 2.374 0 40 FEAB CSc1ncccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32250343 YUBXVZNRABATPT-INIZCTEOSA-N 357.479 2.434 0 40 FEAB CCNC(=O)c1cc2c(CNC(=O)C3CC(F)(F)C3)nn(C)c2s1 1565553486 AUCXJHREGSMCTD-UHFFFAOYSA-N 356.398 2.046 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)c1 1565551701 VCNSZTDMKARFFL-UHFFFAOYSA-N 362.495 2.380 0 40 FEAB CCOCCn1ccc2c(OCC(=O)NCc3ccco3)cccc2c1=O 4584379 SUYLFKWKVBIWCM-UHFFFAOYSA-N 370.405 2.326 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccsc1)N1CCCC1 8864245 KNYVSDNPLKIJFU-OAHLLOKOSA-N 363.508 2.379 0 40 FEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)cc1 10253286 GILUWGBEMAFDBA-UHFFFAOYSA-N 372.406 2.106 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc(F)c1 13036707 SRFZRIHABRHHPM-UHFFFAOYSA-N 367.315 2.244 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2086865263 BCQKQEPPRSJBES-UHFFFAOYSA-N 360.483 2.493 0 40 FEAB CN1CCN(Cc2ccccc2CNC(=O)Cc2ccc(F)cc2)CC1 40089768 ZDOIXBQWRUAGMC-UHFFFAOYSA-N 355.457 2.432 0 40 FEAB Cc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1Cl 40039561 UKZIBLVWEHCBPB-QGZVFWFLSA-N 364.873 2.431 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40153930 ICGSJXGDDHUZRM-BLLLJJGKSA-N 371.393 2.154 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 800527 YHPCMQCLZWUTRY-CQSZACIVSA-N 368.389 2.230 0 40 FEAB O=C(c1cccc(Cl)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 32667793 MYPZPSPKPIRQMC-CABCVRRESA-N 357.859 2.148 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707691 JCKAEMDEHYREOT-INIZCTEOSA-N 368.433 2.494 0 40 FEAB COc1ccc(CCN[C@@H](CC(=O)Nc2ccccc2)C(=O)O)cc1OC 4279938 UUCAUMNFBSIZQF-INIZCTEOSA-N 372.421 2.318 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2-n2cccc2)c1 4518492 HWBJAUBDYIHYFM-UHFFFAOYSA-N 373.438 2.447 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 32898807 MWLHRBLXMVVYGT-UHFFFAOYSA-N 364.442 2.326 0 40 FEAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1 6479540 UEXSRUHHNXRJGH-UHFFFAOYSA-N 354.406 2.485 0 40 FEAB CCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O 6560423 WWOJDHZRXBGVMT-CYBMUJFWSA-N 362.455 2.118 0 40 FEAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1ccncc1 6587915 OMXNJTJJMCYENJ-UHFFFAOYSA-N 351.391 2.223 0 40 FEAB C[C@H](NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1)C1CC1 7499067 MWLYZKGJGPZDKI-VIFPVBQESA-N 350.220 2.017 0 40 FEAB CC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 7999413 CSSBPZDYBJWQFO-ASKKUZCQSA-N 368.389 2.052 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(-n2cncn2)nc1 32902111 RQXHFXBGGBLSGE-UHFFFAOYSA-N 352.350 2.231 0 40 FEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCc1ccco1 32973885 ZDDHPZCGBMOERG-UHFFFAOYSA-N 368.480 2.375 0 40 FEAB CNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10157662 HOJATERQKBJTFZ-HNNXBMFYSA-N 351.454 2.183 0 40 FEAB O=S(=O)(NCCCO)c1cc(C(F)(F)F)ccc1C(F)(F)F 71415930 LAVCBIIVOLEDFA-UHFFFAOYSA-N 351.268 2.385 0 40 FEAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(S(C)(=O)=O)o1 8557038 QAPAQAUNMGQBRH-GFCCVEGCSA-N 367.427 2.282 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)c1ccnc(OCc2ccccc2)c1 52983622 RVFNNHIIYMPNTK-UHFFFAOYSA-N 353.422 2.355 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc2c(c1)CCC2 100466751 FOUAYSBWKIMSHD-SCNSOLTMSA-N 362.429 2.167 0 40 FEAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 55163259 UCRQWQARKHKVGY-CYBMUJFWSA-N 363.483 2.482 0 40 FEAB C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 106796018 DOMBBNVORIYUJO-JVXZTZIISA-N 364.204 2.089 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 34894823 TZVSHOKYVCJEGS-OAHLLOKOSA-N 353.422 2.015 0 40 FEAB C[C@@H]1CN(Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@@H](C)O1 55869921 YXYSJSRRAMGIAV-CHWSQXEVSA-N 359.392 2.386 0 40 FEAB C[C@@H](c1cccs1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27164994 UGDYVVMBWHCYFR-LBPRGKRZSA-N 357.435 2.361 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 100634911 OFEIMXRKQMBMPZ-AYMQEEERSA-N 351.761 2.329 0 40 FEAB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(Cl)c1 58209704 BVAZBRMEEFEGDM-UHFFFAOYSA-N 369.204 2.497 0 40 FEAB CCc1ccc(O)c(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 58227131 REIAPLGWBTXRJE-MRXNPFEDSA-N 371.359 2.258 0 40 FEAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 28614197 IUYWUJRXSBXXPY-UHFFFAOYSA-N 357.362 2.327 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCCCCC2)C1=O 12679168 AMBNTKSUBAWEGU-HXUWFJFHSA-N 372.469 2.141 0 40 FEAB COc1cc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 12748131 OONLZCIKFBJJJK-KBPBESRZSA-N 372.421 2.292 0 40 FEAB COc1ccc(CN(C)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1F 12799116 GKIBPWJCZQFXAF-QGZVFWFLSA-N 371.412 2.387 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 3566203 YRWGDMUMGKCZQJ-UHFFFAOYSA-N 354.863 2.191 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594911 JSQDHSGJMVATQU-FQEVSTJZSA-N 365.389 2.027 0 40 FEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CC=CC[C@H]1C(=O)O 13005291 MCSWJZPUYLPVAK-LSDHHAIUSA-N 353.382 2.281 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 13012233 ASXRZXSLOPJHQR-OAHLLOKOSA-N 353.827 2.207 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc2c(c1)OCCO2 8734592 ZJPQWFKQENUVOF-UHFFFAOYSA-N 361.419 2.100 0 40 FEAB CNC(=O)c1nn(-c2ccc(F)cc2)s/c1=N\C(=O)c1ccccc1 5244201 BOMZZPIGTPGIMQ-JZJYNLBNSA-N 356.382 2.174 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnc(C)cn2)c1C 6348928 JRKQISJPWUYHEP-GFCCVEGCSA-N 359.382 2.335 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccccc2c1=O 5316226 FASFXZWVHKVCPP-UHFFFAOYSA-N 362.389 2.160 0 40 FEAB CCC[C@H](C)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 6542755 DBRJMFPVNNJANK-ZDUSSCGKSA-N 367.442 2.493 0 40 FEAB CCOc1ccc(CC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8914263 IDXFJIJKCGFAMK-UHFFFAOYSA-N 354.454 2.015 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9313939 UPOXYWPIKFKGMH-QRWLVFNGSA-N 357.454 2.331 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(N)s1 8066707 VHSWTMZUJAPVDV-UHFFFAOYSA-N 366.468 2.032 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(Br)cc1 8211961 IKXQDDVFAMZFBU-UHFFFAOYSA-N 369.244 2.400 0 40 FEAB COC(=O)c1cn(CCc2c[nH]c3ccccc23)cc(C(=O)OC)c1=O 9482609 ZMIZQGJWHWQAEF-UHFFFAOYSA-N 354.362 2.146 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 84528957 OFWYRMASLYGIOW-QGZVFWFLSA-N 366.417 2.379 0 40 FEAB C[C@@H](O)C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 84637018 SRIUTSSZKUUXTL-NVXWUHKLSA-N 365.433 2.067 0 40 FEAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123405135 SENSDRYGCFGXOG-RSFJHPKQSA-N 352.515 2.473 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058383 XDSNOFOTBQUVAA-VYDXJSESSA-N 365.838 2.309 0 40 FEAB Cc1cc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)c(C(F)(F)F)o1 77265752 UDZWPGBAOVBNRI-LLVKDONJSA-N 371.315 2.317 0 40 FEAB biogenic,in-vitro O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)NC1CCOCC1 62354274 RDFJUFIFYCNKBT-UHFFFAOYSA-N 373.862 2.180 0 40 FEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OC(F)F 45895937 SIHWMUBMHJVAST-GFCCVEGCSA-N 351.313 2.127 0 40 FEAB CCCOc1ccccc1NC(=O)NCc1ccc(S(N)(=O)=O)cc1 43452316 POEGPFCSRIEDTC-UHFFFAOYSA-N 363.439 2.445 0 40 FEAB Cc1ccc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220082126 NGLVEZJEUNMZHC-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@@H](C)c1ccccc1 225880827 ZPCDCGMXOZKYDV-JTQLQIEISA-N 353.469 2.338 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165404 DWTMKNXVUZFRCT-SECBINFHSA-N 362.333 2.052 0 40 FEAB Cc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 223923447 LUFXLUSVANZNHL-UHFFFAOYSA-N 363.435 2.432 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 45134001 XGCIZLUQKNWBSY-UONOGXRCSA-N 350.426 2.447 0 40 FEAB COc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 226034999 LGJPMOZQYKKSTE-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472844 UYRLTVVHCUVNDM-CQSZACIVSA-N 366.396 2.414 0 40 FEAB CCCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96100900 GRCNYMHUTGPFNP-UHFFFAOYSA-N 359.426 2.234 0 40 FEAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474520 GFKSQLXEOQSCPW-AWEZNQCLSA-N 364.405 2.241 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccn3)nc21)[C@@H]1CC=CCC1 96044475 JXKPQKXDFDUYKE-CRAIPNDOSA-N 352.438 2.413 0 40 FEAB CCn1c([C@H](C)Nc2ncc(S(N)(=O)=O)s2)nc2ccccc21 579538075 VNNIGYVTCWDVBC-VIFPVBQESA-N 351.457 2.333 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 93010554 UXMDFBODWGVOER-ZBFHGGJFSA-N 354.454 2.208 0 40 FEAB Cn1cccc1C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 248134182 OCCLGIFMQFQHBQ-HNNXBMFYSA-N 350.484 2.168 0 40 FEAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH]1 257257142 KOFLRAHKUYCHJF-AWEZNQCLSA-N 351.410 2.157 0 40 FEAB CC(=O)NCC(=O)N1CCC(c2cccc(Nc3ncccc3C)n2)CC1 257219445 DGUMRYCTLJJOJP-UHFFFAOYSA-N 367.453 2.371 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)Cn4cc(C)cn4)C[C@H]23)cc1 257288702 PVFVKHGAMWAMCX-VAMGGRTRSA-N 368.481 2.146 0 40 FEAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCc2ccccc2Cl)c(C)o1 85562026 KGSHGJHPGDEJHB-MRXNPFEDSA-N 364.829 2.406 0 40 FEAB CCOC(=O)c1c(CN2CCC[C@@H](c3nnc4ccccn34)C2)n[nH]c1C 590605467 LCUIGKLAWYLFRQ-CQSZACIVSA-N 368.441 2.317 0 40 FEAB O=C(O)Cc1csc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 675945352 UMAGACBUPPDBOJ-NWDGAFQWSA-N 360.391 2.284 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CC[C@](O)(COc2ccccc2)C1 585275420 DONQQIFYAZGGAJ-QGZVFWFLSA-N 351.399 2.030 0 40 FEAB Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(c4ccncn4)C3)C2)c1 585104474 OGZSCLBTKHYVSX-NRFANRHFSA-N 366.465 2.349 0 40 FEAB CC(C)(C)NC(=O)CNC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585286573 LZBSDTLLNNYNAT-MZMPZRCHSA-N 352.450 2.238 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCC[C@H](N(C)C)C1 585139996 CGJMRDZAJMSKLG-FGTMMUONSA-N 363.502 2.215 0 40 FEAB CCCn1nnnc1CN1CC=C(c2c(OC)cc(OC)cc2OC)CC1 53898474 YQPKPIMQYJSCGG-UHFFFAOYSA-N 373.457 2.398 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1)CN1C(=O)CC2(CCCC2)C1=O 57338422 FXGRDQFGZMRXGP-UHFFFAOYSA-N 363.845 2.487 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)s1 56064789 GHFXINHOSZCSNL-GFCCVEGCSA-N 367.496 2.155 0 40 FEAB COC(=O)c1ccc(NC(=O)COc2cc(OC)ccc2C(=O)O)cc1 13084328 ZIWUYYOBGMKYKF-UHFFFAOYSA-N 359.334 2.198 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1 14153203 DFOJIGDNTGIPQQ-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-n1cnnn1 15935846 TYQWFEAZOXWGQD-UHFFFAOYSA-N 355.423 2.112 0 40 FEAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2ccncc2)cnn1-c1ccccc1 19374442 VWVNQJSERQDRBH-KRWDZBQOSA-N 361.405 2.337 0 40 FEAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 19660646 IHVZMCZAAABFKZ-AWEZNQCLSA-N 362.455 2.240 0 40 FEAB CNc1ncc(C(=O)N(Cc2ccc(OC)cc2)C2CCN(C)CC2)cn1 19666002 XUBHAXWCAQLURC-UHFFFAOYSA-N 369.469 2.264 0 40 FEAB CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929805 OPAVLLDOIVINRV-UHFFFAOYSA-N 354.472 2.027 0 40 FEAB O=C(/C=C/c1ccncc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643913029 MLMBUFDJXZAIKY-RFVVQAKJSA-N 350.418 2.241 0 40 FEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694077 XKRBKDQZZKUDIL-UHFFFAOYSA-N 363.845 2.409 0 40 FEAB COCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19235409 JFBAXOWCEUOWAR-FQEVSTJZSA-N 366.461 2.426 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)no1 1888888244 UBLWCTHTGJDHEV-ZIAGYGMSSA-N 351.410 2.078 0 40 FEAB OC1(CN2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)CCOCC1 1889082726 KVIFMVQYUOBRIL-DZGCQCFKSA-N 371.403 2.152 0 40 FEAB O=C(NCCCn1ccnc1)c1cccc(I)c1 19814842 PYJLGILWIKLHCZ-UHFFFAOYSA-N 355.179 2.308 0 40 FEAB CNC(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 26678362 SWZBNJIETOSPFI-UHFFFAOYSA-N 369.465 2.317 0 40 FEAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 37185721 BXWDXGGGNJPHDJ-STQMWFEESA-N 369.387 2.444 0 40 FEAB Cn1c(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc2ccccc21 2087138892 WAOHOGRKXLDWMY-HNNXBMFYSA-N 364.396 2.036 0 40 FEAB COC1(CC(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)CCC1 1565552805 XOLWNNGAURHWHM-UHFFFAOYSA-N 357.454 2.152 0 40 FEAB COc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5221300 UWDZKFGXEBLCOR-CYBMUJFWSA-N 368.389 2.002 0 40 FEAB CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 9661410 OXFKGQGQWIKZOG-HNNXBMFYSA-N 366.421 2.068 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccc3c(c2)OCO3)C1 2055750960 RLBUXENLXBQATG-HXUWFJFHSA-N 371.412 2.357 0 40 FEAB Cc1c(Cl)cccc1C(=O)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 2055713600 MRBBMASULZJVKQ-DZGCQCFKSA-N 361.829 2.098 0 40 FEAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCN(C)CC2)cc1 22582389 AXJYPLSKVAAONL-NRFANRHFSA-N 367.493 2.479 0 40 FEAB CCOC(=O)CCC(=O)Nc1nn(C)c2c1[C@@H](c1ccccc1)CC(=O)N2 35597869 UOBPTLZBABATLZ-CYBMUJFWSA-N 370.409 2.176 0 40 FEAB O=C(NCC[C@@H](O)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77112523 CNDOWGHAMLMDDA-GFCCVEGCSA-N 372.299 2.357 0 40 FEAB Cc1csc2nc(CN3C(=O)NC4(CCC(C)CC4)C3=O)cc(=O)n12 10498967 DNSZBPKXYYQYLK-UHFFFAOYSA-N 360.439 2.065 0 40 FEAB CN1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)[C@H](c2ccccc2)C1 30029810 UBCJVFBPASASJY-KRWDZBQOSA-N 351.406 2.146 0 40 FEAB COC(=O)C(C)(C)NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 40133193 PCHOLYZEKHLQPW-UHFFFAOYSA-N 371.437 2.286 0 40 FEAB COc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20389945 UPTBEDNCOLUDCI-UHFFFAOYSA-N 357.439 2.359 0 40 FEAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC1CC1 32071928 CKJDQPNGHCGMJP-NSHDSACASA-N 354.435 2.484 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1=O 8207135 ZRVBFFZMXRCQLQ-KRWDZBQOSA-N 373.453 2.434 0 40 FEAB O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 46036435 OVGSVJRJRHSVLN-UONOGXRCSA-N 364.389 2.490 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1 21059225 AMCUGEANMNXYQB-GJZGRUSLSA-N 358.486 2.500 0 40 FEAB CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 32707576 OUHJZRIEFLQTPQ-UHFFFAOYSA-N 367.449 2.406 0 40 FEAB COc1ccc(CN2CCCN(C(=O)c3cccnc3OC)CC2)cc1 32786721 VULYMVISBSXDDH-UHFFFAOYSA-N 355.438 2.447 0 40 FEAB CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 32740960 DNVKRVHFPFCYCJ-UHFFFAOYSA-N 368.484 2.430 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nnc(SCC(N)=O)s1 6107662 YHXRAOOIWLBJEV-UHFFFAOYSA-N 368.509 2.463 0 40 FEAB Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 23183334 NEXOTBSAAPZCAV-CQSZACIVSA-N 350.440 2.005 0 40 FEAB COc1cccc(C[C@H](C(=O)Nc2ccccc2OC)c2nnn[nH]2)c1 931667 RIFRFCWDLJMRNK-AWEZNQCLSA-N 353.382 2.182 0 40 FEAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@H](C(N)=O)C1 54456558 LGGDWDFJVTXMSF-NSHDSACASA-N 351.472 2.379 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 24573437 CLJDUACSFZSVRD-KRWDZBQOSA-N 372.421 2.178 0 40 FEAB CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@H]1CC(=O)N(C2CC2)C1=O 24843707 FMEMVSGLCANNSM-HNNXBMFYSA-N 363.845 2.199 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2C1=O 24804078 DSBQZANIXBAGTD-CYBMUJFWSA-N 354.410 2.098 0 40 FEAB O=C1CN(C(=O)CSc2ccc(F)cc2F)C2(CCCCC2)C(=O)N1 24983420 YYURPRHSVPPYNT-UHFFFAOYSA-N 368.405 2.245 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(-c4ccccc4)no3)cc2[nH]1 28249159 ZHHVFUUORZASSB-UHFFFAOYSA-N 356.363 2.312 0 40 FEAB CC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)c3ccc(F)cc3)CN2C)n1 20464317 CNWYNMNWEYDBRS-JSGCOSHPSA-N 368.434 2.056 0 40 FEAB biogenic,in-vitro CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 58174395 YCBQFQYSBLNJEZ-UHFFFAOYSA-N 372.244 2.079 0 40 FEAB O=C(CNC(=O)C1CC1)Nc1cc(-c2ccc(Br)s2)n[nH]1 58171539 HZSQKFPJICSVMN-UHFFFAOYSA-N 369.244 2.365 0 40 FEAB CC(C)CNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3318971 UYAXZAZROARDIZ-UHFFFAOYSA-N 361.225 2.039 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(Cl)cc1 48279543 LBRCOZLOGAOJGB-KRWDZBQOSA-N 356.813 2.141 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)CC1 36684317 XWQJFKYWSDOKRE-UHFFFAOYSA-N 360.845 2.447 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(OC)c2OC)CC1 12818882 GUQTVUOYGWFUQN-UHFFFAOYSA-N 366.414 2.063 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(Cl)cc1 3420143 XANVYIRCVMOKOL-SNVBAGLBSA-N 356.806 2.275 0 40 FEAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCOCC3)cc2)c1C 12973947 REOKPQHMHDSUCO-UHFFFAOYSA-N 371.437 2.067 0 40 FEAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCc1ccccc1F 12982879 HOBILSKGSQNLLX-UHFFFAOYSA-N 371.412 2.298 0 40 FEAB COc1cc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC 3609979 HXKKXYZUGKDELR-UHFFFAOYSA-N 358.394 2.383 0 40 FEAB COc1ccc(C(=O)COC(=O)c2cccc(NC(N)=O)c2)c(OC)c1 13015838 RGCVMNMAUAALID-UHFFFAOYSA-N 358.350 2.234 0 40 FEAB Cc1nnc(CS(=O)(=O)Cc2ccn(-c3ccccc3)n2)n1C1CC1 91557929 MKOSCWVPLJWDSY-UHFFFAOYSA-N 357.439 2.222 0 40 FEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc2c(c1)COC2 64387661 HAMIGRXRFXEMAO-UHFFFAOYSA-N 352.390 2.442 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2C)cc1 6078172 ZHCZMDOGRBWIAJ-UHFFFAOYSA-N 360.361 2.261 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021312 PEMVNFBPPVVLNC-ZDUSSCGKSA-N 353.382 2.234 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 4287675 GJIVQBQZKWKSTH-UHFFFAOYSA-N 372.425 2.084 0 40 FEAB COc1ccc2[nH]c(C(=O)NCCC(=O)Nc3nccs3)cc2c1OC 13726140 YXWJABZQTZMSIZ-UHFFFAOYSA-N 374.422 2.400 0 40 FEAB COc1ccc(F)cc1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5184566 NWIFJHCRYHGCDN-UHFFFAOYSA-N 356.309 2.111 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1C 14189520 NZOXXBHJVXYUKR-GASCZTMLSA-N 368.499 2.275 0 40 FEAB O=C(Cn1ccccc1=O)Nc1ccc(I)cc1 17477457 DRFAFPVMGOMRMA-UHFFFAOYSA-N 354.147 2.092 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1ccc2c(c1)OCO2 9053495 FMHZRJVZVOYIQW-ZDUSSCGKSA-N 371.349 2.052 0 40 FEAB COc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7788305 APHJCDUIPRMDKO-LBPRGKRZSA-N 373.361 2.373 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 8024913 DYCOGQVJTXBGNZ-MRXNPFEDSA-N 354.362 2.066 0 40 FEAB CCOC(=O)[C@@](NCc1ccco1)(NC(=O)c1ccco1)C(F)(F)F 19938850 QUDZNXFBDSBETK-CQSZACIVSA-N 360.288 2.214 0 40 FEAB O=C(O)Cc1cccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 95427678 GNKLGVKDQYASRC-UHFFFAOYSA-N 374.418 2.106 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)N(C)C 95999849 QLVDFGUIGBBYTL-GOSISDBHSA-N 356.470 2.010 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(C)n2)CC1 89289576 HVDYJYRYXIKXBY-UHFFFAOYSA-N 366.465 2.349 0 40 FEAB COCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 409003721 KIRVPUKEUKHUQG-UHFFFAOYSA-N 368.499 2.081 0 40 FEAB C[C@@]1(NC(=O)CNc2ccc(SC(F)F)cc2)CCS(=O)(=O)C1 39987653 KTAONBMCLAMYBR-CQSZACIVSA-N 364.439 2.107 0 40 FEAB CN1CC2(CCN(Cc3ccccn3)CC2)c2nn(CC3CC3)cc2C1=O 306136927 QGVVZHZVFMJUAA-UHFFFAOYSA-N 365.481 2.308 0 40 FEAB COCCNC(=O)[C@@H](OC(=O)c1cc2occc2n1C)c1ccccc1 35315785 PDULTWFZFOXKAY-KRWDZBQOSA-N 356.378 2.432 0 40 FEAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)cc1 306135269 OMDJDZDZECAPOP-QZTJIDSGSA-N 367.497 2.283 0 40 FEAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C)CC3)c2c1 36366911 KJPZFZAZILTJTI-KRWDZBQOSA-N 358.442 2.136 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 31040091 ANOXDNFRFMOMNO-UHFFFAOYSA-N 363.395 2.109 0 40 FEAB Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccccc1)C(=O)O 71287705 UOXGFKVBOMRDKC-HNNXBMFYSA-N 358.442 2.198 0 40 FEAB CCOc1cccc(CNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c1 44901705 AUGINMSOPIBWBD-UHFFFAOYSA-N 363.435 2.492 0 40 FEAB Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1 226260125 KHZRMCVBBMNDII-UHFFFAOYSA-N 354.454 2.347 0 40 FEAB CCOC[C@@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C 96207573 DTBOIVCZKWYSJK-INIZCTEOSA-N 352.500 2.341 0 40 FEAB CCOC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)Cc1ccccc1)C2 96039383 ZZVCHSPHACEVHK-QZTJIDSGSA-N 353.484 2.424 0 40 FEAB CCCCS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227728 SFLJNXXWWWVPBJ-ZBFHGGJFSA-N 356.513 2.206 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2=O)cc1 96245359 BICHURNBASJOKU-WBVHZDCISA-N 356.447 2.487 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247885085 WPQDMVMYOJWICA-CYBMUJFWSA-N 360.439 2.023 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)Cc1ccc(F)cc1OC)C2 248152684 UUJBPDSHYGNOFX-OAHLLOKOSA-N 364.461 2.336 0 40 FEAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccsc2)n(C)n1 248053905 RVOJHDPIFKPPHU-MRXNPFEDSA-N 374.510 2.201 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 257250863 JOIVROSSBMILLQ-CQSZACIVSA-N 352.504 2.435 0 40 FEAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)/C=C/c3ccccc3)C[C@H]2O)cc1 257307814 TUFUWNGMDLMTKR-OEQDPHDDSA-N 353.374 2.049 0 40 FEAB CSC1(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCOCC1 597298650 MFBYWZYBYLBOAI-HZPDHXFCSA-N 351.468 2.172 0 40 FEAB O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1c(F)cccc1F 90612599 CNIGWPMRVRWEMK-ZDUSSCGKSA-N 371.361 2.096 0 40 FEAB O=C(O)[C@H]1CCN(C(=O)CN2Cc3ccccc3C2=O)c2ccccc21 669435743 QBONUNWHBLYXII-INIZCTEOSA-N 350.374 2.248 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 585277137 KKEPHESWCHIFFS-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585278907 WSTDLWZKCABKEJ-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB CN(C)[C@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1 50029670 YSUQQAKULMZUHV-LLVKDONJSA-N 367.393 2.146 0 40 FEAB NCC(=O)c1ccc(Br)c(F)c1I 98211116 CDZFGVPYIFGQRG-UHFFFAOYSA-N 357.948 2.334 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(F)c1 5615758 NSARNDKFRSPWMS-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB COC(=O)N[C@](Nc1nc2ccccc2s1)(C(=O)OC)C(F)(F)F 5660374 TZGVPSXCAKFOGS-GFCCVEGCSA-N 363.317 2.496 0 40 FEAB Cc1cnc(NC(=O)CN2CCC3(CC2)NC(=O)c2ccccc2N3)s1 12117892 XQLKEOCSIFAWKT-UHFFFAOYSA-N 371.466 2.038 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@@H]1c1ccc(F)cc1 12143308 JMKUMTUXRRRVPW-MSOLQXFVSA-N 373.428 2.444 0 40 FEAB COc1ccc2cc(C)c3nn(CCNC(=O)C(C)(C)C)c(=O)n3c2c1 12146380 FGIXWLWEPIMILW-UHFFFAOYSA-N 356.426 2.129 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCN(C(=O)Cc4ccccc4F)C3)cc2n1 13225672 NIWVCEJKCTUSSU-AWEZNQCLSA-N 354.385 2.441 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O 13811723 ILXJLXCGRHFPEL-UHFFFAOYSA-N 373.844 2.420 0 40 FEAB Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2[C@H]2CCCO2)on1 19122663 SWTNBLHZRCULBI-MRXNPFEDSA-N 373.457 2.426 0 40 FEAB CCCc1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)[nH]n1 19525228 YPJHOJRTECYCCS-UHFFFAOYSA-N 360.433 2.338 0 40 FEAB COCC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19592976 STFDHLLVYIZACP-UHFFFAOYSA-N 374.481 2.068 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(CCc4ccccc4)CC3)n2CC1 19708964 KELWZZQZLUHTMZ-UHFFFAOYSA-N 367.497 2.105 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225502763 XYQCVLBPHXWOOM-HNNXBMFYSA-N 373.457 2.150 0 40 FEAB COc1ncc(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)cc1Cl 628859617 OYVZXVLBVUUFMX-PRHODGIISA-N 352.778 2.037 0 40 FEAB O=C(NCc1cccs1)NCC1(N2CCSCC2)CCOCC1 1888904318 SJDIYUFFIYRGFH-UHFFFAOYSA-N 355.529 2.145 0 40 FEAB COc1cnc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)nc1 1889149502 LQCJBVBNVSWYKZ-UHFFFAOYSA-N 351.410 2.112 0 40 FEAB O=C(c1cnn(-c2ccccc2)n1)N1CCc2nc3ncccc3cc2C1 1890539046 NQDQRFKTMSSOEH-UHFFFAOYSA-N 356.389 2.409 0 40 FEAB CCN(C(C)=O)c1nc(CN2C(=O)NC3(CCCCC3)C2=O)cs1 22978118 KWONBIFMNUXJEP-UHFFFAOYSA-N 350.444 2.271 0 40 FEAB C[C@H](c1ccccc1)N1CCN(c2nccc(N3CCOCC3)n2)CC1 882811501 XPEDFOZYRXKCTH-QGZVFWFLSA-N 353.470 2.196 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565551494 REBWUMVYNZYPED-UHFFFAOYSA-N 363.396 2.243 0 40 FEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1cccc(Cl)c1 4370655 DCHXHSOXHBXULZ-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9036948 BEXXPVOZBYXBSN-HNNXBMFYSA-N 374.462 2.335 0 40 FEAB CCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1 2055745471 BYQRHINZGGJTEK-UHFFFAOYSA-N 365.449 2.160 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4cc[nH]c4)C3)C2=O)n1 2055835580 MBQRZSXPKFISNI-FQEVSTJZSA-N 352.438 2.373 0 40 FEAB COc1cccc(-c2cc(C(=O)N3CC(Oc4nccs4)C3)n(C)n2)c1 206921224 YCPNOPNKKALYKO-UHFFFAOYSA-N 370.434 2.456 0 40 FEAB CN(CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)S(C)(=O)=O 38845182 ASEDAZNXEXKNST-UHFFFAOYSA-N 365.436 2.386 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)[nH]n1 19083685 CZAORXGLWYCHJH-ZDUSSCGKSA-N 368.485 2.163 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 41621478 QLFZYYYNGKRSPE-AWEZNQCLSA-N 351.497 2.324 0 40 FEAB COc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1OC 2393703 HQBCXKZXFXYDAG-RVDMUPIBSA-N 365.414 2.383 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)NCCSC(F)(F)F 40119025 NRYHLQBGIGUZLQ-UHFFFAOYSA-N 350.362 2.184 0 40 FEAB O=C(NCCc1ccccc1)Nc1cccc(Cn2nc(O)ccc2=O)c1 40158645 KIDDGZCLDOTJNV-UHFFFAOYSA-N 364.405 2.361 0 40 FEAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)c1OC 101270006 DFNDOJLKIRJBBB-PBHICJAKSA-N 370.336 2.135 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 807170 BWAUZLCVKVDAOL-HNNXBMFYSA-N 368.499 2.401 0 40 FEAB COc1ccc(CN2CCN(Cc3cc(C)on3)CC2)c(OC)c1OC 29631569 GZOOGHRBMDXSSF-UHFFFAOYSA-N 361.442 2.327 0 40 FEAB COc1cccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)c1 886776 FJCGEPJZKTVUGU-UHFFFAOYSA-N 374.462 2.478 0 40 FEAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC(=O)NC1CCCCC1 6508806 NLMADDXUEQZYBM-UHFFFAOYSA-N 372.454 2.461 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 32841811 DLCHFXXOLTYCPC-YJBOKZPZSA-N 362.433 2.444 0 40 FEAB CCCCn1c(N)c(N(CC)Cc2nc3ccccc3o2)c(=O)[nH]c1=O 32879612 QOQVSZQGQKDFNU-UHFFFAOYSA-N 357.414 2.087 0 40 FEAB COc1ccc([C@@H]2C(c3ccccc3)=C(O)[C@@H](O)N2c2nnn[nH]2)cc1 106105461 XTHASLIJCUNAHN-NVXWUHKLSA-N 351.366 2.057 0 40 FEAB COc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)c1 10449771 DPAMDJVKKKZXLS-AWEZNQCLSA-N 374.462 2.439 0 40 FEAB CC(C)[C@@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1cccs1 105556911 SAIYEXGBTKIZNB-QFBILLFUSA-N 371.506 2.474 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 24242953 VTCRGVGWODNFLT-QGZVFWFLSA-N 355.482 2.435 0 40 FEAB C[C@@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1 24763797 NWRZQEQWKXBYGD-HZPDHXFCSA-N 354.454 2.284 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCCC1 34896047 GIMBPYFHHLMPNH-UHFFFAOYSA-N 369.509 2.336 0 40 FEAB COc1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 27028628 IDLYQWMVSUTZQP-UHFFFAOYSA-N 373.434 2.228 0 40 FEAB O=C(CCNC(=O)N1CCN(c2ccccc2Cl)CC1)N1CCCC1 10080978 RELDYSIQNGOUNL-UHFFFAOYSA-N 364.877 2.184 0 40 FEAB Cc1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)no1 58160215 DJHNWNDWCJIWRO-UHFFFAOYSA-N 355.320 2.191 0 40 FEAB O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@H]1CCS(=O)(=O)C1 58263425 JRSYKMVWZMNWJC-GFCCVEGCSA-N 351.399 2.322 0 40 FEAB COc1ccc(CC2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)cc1 58217542 WTANQSNHKFOFHV-UHFFFAOYSA-N 358.438 2.015 0 40 FEAB COc1ccc(C[C@H](C)N(C)C(=O)c2cnc3ccccn3c2=O)cc1 58311584 PWVQURRDMPTTBY-AWEZNQCLSA-N 351.406 2.406 0 40 FEAB O=C(CNC(=O)COc1ccccc1)NCCc1c[nH]c2ccccc12 3363966 KVVNGXGVXYAFGI-UHFFFAOYSA-N 351.406 2.022 0 40 FEAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 12772057 SBDNLRCTNOZJOQ-LBPRGKRZSA-N 365.389 2.461 0 40 FEAB CCCc1n[nH]c(SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 11466850 LJUMEKAVSJDKIR-SDDRHHMPSA-N 353.492 2.500 0 40 FEAB COc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)c(OC)c1 12796984 QALIWFHFWJSHDA-UHFFFAOYSA-N 364.365 2.456 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12943263 JNNJRRGKKMMOIJ-AWEZNQCLSA-N 357.410 2.381 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1S(=O)(=O)N(C)C 12927825 GTVLDLKDSBIVKN-INIZCTEOSA-N 374.462 2.363 0 40 FEAB C[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 12989121 YRYVNBWNEMTNEP-SJKOYZFVSA-N 373.840 2.270 0 40 FEAB Cn1cc(S(=O)(=O)/N=C(\O)COc2ccccc2C(F)(F)F)cn1 48676448 CLLZMMGRFNOCPM-UHFFFAOYSA-N 363.317 2.163 0 40 FEAB CC(C)C[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)NCc1ccccc1 4017582 UQYOUABVKKUQAQ-GOSISDBHSA-N 373.497 2.236 0 40 FEAB NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCC1 6079009 ITYKIXVOFOQIIA-UHFFFAOYSA-N 364.467 2.260 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714377 JFRBZFPKTDGREK-UHFFFAOYSA-N 368.433 2.278 0 40 FEAB CCOC(=O)c1ccc(Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 5485766 NODXJYXSDNSVGZ-UHFFFAOYSA-N 371.418 2.090 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc(O[C@H](C)C(=O)O)c1 67027751 KIMGAWCYWWIMQC-IAQYHMDHSA-N 362.382 2.024 0 40 FEAB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCc2ccccc21 7738059 KTVVEYWTEXATKS-FZKQIMNGSA-N 353.374 2.347 0 40 FEAB CCCCc1ccc([C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)C)cc1 16107681 WLFXCYMJJKEGGF-LJQANCHMSA-N 357.454 2.393 0 40 FEAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCOC1=O 7855484 YBYFEYALLGMODR-UHFFFAOYSA-N 350.425 2.412 0 40 FEAB O=C(COc1ccc(N2CCCC2=O)cc1)NC1(C(=O)O)CCCCC1 71802806 BUHHYWDXFKEXCT-UHFFFAOYSA-N 360.410 2.096 0 40 FEAB CCN1CCC(N(C2CC2)S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 71826850 MNRQVSPUDHGYGN-UHFFFAOYSA-N 360.911 2.019 0 40 FEAB COC(=O)[C@H]1COCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 72309456 GKMYAOLSAXMRBW-GFCCVEGCSA-N 371.315 2.129 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(n4ccnn4)CC3)c12 89567402 ORGXRIBJNVPJJN-UHFFFAOYSA-N 352.398 2.477 0 40 FEAB Cc1nc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)sc1C 79477540 YREPKTKIJNSXST-UHFFFAOYSA-N 370.434 2.434 0 40 FEAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCc1ccoc1 512266967 CXXCQFLFACZPNN-GJZGRUSLSA-N 350.394 2.296 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980017 LPGVBJIBITXSFF-ZDUSSCGKSA-N 373.236 2.341 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218490476 USVMYHLLOBQKDQ-ZACQAIPSSA-N 351.855 2.278 0 40 FEAB COc1ccc(N(C)C(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225876427 XQKIZCXJLIZTNT-UHFFFAOYSA-N 355.441 2.108 0 40 FEAB CC(C)Cn1nccc1C(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1 567928513 ATVSOLUTCQDBRQ-SFHVURJKSA-N 354.454 2.113 0 40 FEAB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3nccnc3OC)C2)cc1 225388974 FUDOMTMFULXPIL-WHWKNOJMSA-N 355.394 2.187 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1c1ncccn1 96240395 MYZMBVJZIBWTSA-INIZCTEOSA-N 356.426 2.217 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257334125 YEQPPWNLDUOEMN-MRXNPFEDSA-N 356.426 2.155 0 40 FEAB Cc1cncc([C@@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257277953 OADFVAPHXUOVLL-QGZVFWFLSA-N 353.470 2.408 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436712 JTQFUXCYKZWKPH-CQSZACIVSA-N 357.366 2.019 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)O[C@@H]2CCC[C@H](C)C2)o1 1775957120 DPFWJABCEQRNFZ-VQJWOFKYSA-N 351.447 2.250 0 40 FEAB C[C@@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CC[C@@H]1C(=O)O 626756761 WAXQXEGNZPSFEL-WBVHZDCISA-N 370.453 2.378 0 40 FEAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1)C(=O)OC 43746960 AZAXPLJJQQAZRH-YLQAJVPDSA-N 371.441 2.050 0 40 FEAB biogenic O=C1N[C@]2(CCCNC2)C(=O)N1CCOc1ccc(Cl)cc1Cl 646087955 VBPYGYVWCDMEOL-HNNXBMFYSA-N 358.225 2.046 0 40 FEAB CN1C(=O)COC12CCN(C(=O)CCc1ncc(-c3ccccc3)o1)CC2 1615592792 VBQBCNGLZPHZRP-UHFFFAOYSA-N 369.421 2.082 0 40 FEAB CCN1C(=O)CC[C@H](C(=O)N2CCc3ccccc32)[C@H]1c1ccnn1C 665118515 DDZZKAWHCIYZDE-KXBFYZLASA-N 352.438 2.309 0 40 FEAB O=C(O)Cc1csc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 675945351 UMAGACBUPPDBOJ-NEPJUHHUSA-N 360.391 2.284 0 40 FEAB COc1ccc(NC(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cc1 96098662 QEJSVNHYXPILTO-UHFFFAOYSA-N 370.457 2.498 0 40 FEAB Cc1cc(N(C)C)nc(CNC(=O)c2ccc(Oc3ncccn3)cc2)n1 96120974 BNSMTUOVCQCACF-UHFFFAOYSA-N 364.409 2.363 0 40 FEAB O=C(NCc1ccccn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831290 QZWFASQJAFNFOG-UHFFFAOYSA-N 373.478 2.371 0 40 FEAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 390828550 RVHHZUYFPFNZKT-AWEZNQCLSA-N 355.394 2.158 0 40 FEAB CN1c2ccc(F)cc2N(CC(=O)OCc2ccccc2)S1(=O)=O 575607673 BJODGEHSBRHRDZ-UHFFFAOYSA-N 350.371 2.070 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCCN2Cc2nccn2C)n1 585177434 RVHSIFRPAKOIOI-AWEZNQCLSA-N 370.486 2.841 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585278751 UZVXXHYHOMTTSQ-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB O=C(N[C@@H]1COc2ccccc2C1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 678353999 WOXYQTBHMPAGDE-KBPBESRZSA-N 372.371 2.438 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)NC(=O)CN2C 54365450 RYYNSMZFURDCOF-UHFFFAOYSA-N 367.405 2.466 0 40 FEAB Cc1nc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cs1 1615190160 BPJRAZDOVNSJAZ-KRWDZBQOSA-N 352.431 2.233 0 40 FEAB COc1ccc(S(=O)(=O)N2CC=C[C@H]2C(=O)NC2CCCCC2)cc1 12182538 NSLFFYBOARMVTE-KRWDZBQOSA-N 364.467 2.073 0 40 FEAB CC1(C)C[C@H](CC(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)C(=O)O1 12220935 VGGJQMUCVCWUKX-STQMWFEESA-N 356.426 2.396 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(F)c1 13669417 OYLBLKIKDVXXBF-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16194348 QNIXXGUXMREDIU-UHFFFAOYSA-N 368.499 2.163 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1 19173419 JKQFFSVCZBZRKX-UHFFFAOYSA-N 366.870 2.497 0 40 FEAB CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)COc3ccccc3OC)C2)n1 19522480 XMWMDQLULIIROA-CQSZACIVSA-N 371.437 2.126 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 169680696 ZEJNZVAKHQAOSB-RBSFLKMASA-N 353.397 2.378 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccnnc2)C[C@]12C[C@H](c1cccc(F)c1)CO2 643585900 ATYBWQDKRALWRY-KVSKMBFKSA-N 357.385 2.029 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 16891391 NRAZXBVQSXUBDY-UHFFFAOYSA-N 373.453 2.025 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4ccnc(C5CC5)n4)C[C@@H]3C2)c1F 1888866549 JKMPFHVLHPHDPQ-OKILXGFUSA-N 354.433 2.418 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(Cc4cnoc4C)CC3)nc(C)n2)n1 1889145749 AVDQXPKJZHPMNM-UHFFFAOYSA-N 367.457 2.206 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)CSc3nncn3C(C)C)ccc21 14169076 DRFCBDLARVXPGE-UHFFFAOYSA-N 359.455 2.499 0 40 FEAB NC(=O)COc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 30553555 NCCCXVOJETWSFP-UHFFFAOYSA-N 352.312 2.500 0 40 FEAB O=C1C[C@@]2(COCCN(Cc3cccnc3)C2)CN1Cc1ccccc1 1614940320 NCWDVEMSAXKWPK-NRFANRHFSA-N 351.450 2.333 0 40 FEAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542548 NDKDWKBZAQEUME-ICSRJNTNSA-N 374.481 2.301 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)cn1 1565556647 YMAQWURAMVCVTE-UHFFFAOYSA-N 370.453 2.064 0 40 FEAB O=C(Cc1ccccc1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987463 QOCUPEQTPPILGS-OAHLLOKOSA-N 352.390 2.127 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10104790 WNTQOVDEPLGOBY-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB Cc1noc(CN(C)C2CN(c3ncnc(-c4ccc(F)cc4)c3F)C2)n1 1775974571 JZEGEUCFAYVZRX-UHFFFAOYSA-N 372.379 2.434 0 40 FEAB O=C([C@@H]1CN(c2ncc(Br)cc2Cl)CCO1)N1CCCC1 2086868871 UDMUOECOYNXDKD-LBPRGKRZSA-N 374.666 2.325 0 40 FEAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1ccco1 38483588 RQQPNGWGESCUEH-UHFFFAOYSA-N 354.414 2.230 0 40 FEAB CC(C)NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O 49002507 ADFDYCACCYCWGA-UHFFFAOYSA-N 356.357 2.229 0 40 FEAB O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)NCC(F)(F)F 77118768 CMWQYJLSUKUUCL-AWEZNQCLSA-N 354.328 2.058 0 40 FEAB C[C@H](Sc1nnnn1Cc1ccco1)c1nnnn1-c1ccccc1 40089700 BXURMCRUXROHOS-NSHDSACASA-N 354.399 2.143 0 40 FEAB COc1cc(-c2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc(OC)c1OC 101312722 HCJGNDJMYXBPGK-UHFFFAOYSA-N 350.762 2.072 0 40 FEAB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)N[C@@H](C)c1ccc(F)cc1 7007660 SIRYBTOMCZBOSX-KBPBESRZSA-N 364.417 2.337 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCCCn2c(=O)[nH]c3ccccc32)s1 7058451 RASCRAQZUKDITO-UHFFFAOYSA-N 373.434 2.063 0 40 FEAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 1262459 NWGYXTQIMPGZMU-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB COC(=O)c1cc(NC(=O)CN(C)Cc2ccccc2)cc(C(=O)OC)c1 3220506 XJRQWHGROXTQPM-UHFFFAOYSA-N 370.405 2.330 0 40 FEAB COc1cc(C2=NO[C@@H](C(=O)NCc3ccco3)C2)cc(OC)c1OC 4118962 OJEZUFXBDFIWGG-MRXNPFEDSA-N 360.366 2.115 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140092 HLPWLINRRWMYGI-HEHGZKQESA-N 365.311 2.186 0 40 FEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1)C(=O)C2 4802728 CMTSKRVNGCMVNO-YEWWUXTCSA-N 365.451 2.127 0 40 FEAB CCOc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCC(=O)OC 4997932 OCWHUFKBOCVPLQ-IBGZPJMESA-N 357.362 2.458 0 40 FEAB CC(=O)N(C(C)=O)n1c(COc2ccccc2)nc2ccccc2c1=O 6262289 QQGBGTWUKLKQCL-UHFFFAOYSA-N 351.362 2.007 0 40 FEAB C[C@@H](NC1CCCCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6603059 KVQMQEPHXDVAQP-CYBMUJFWSA-N 353.488 2.364 0 40 FEAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 7940102 VDNCKWCWKSAJPW-RDJZCZTQSA-N 366.417 2.460 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc(-c3cccnc3)no2)cc1 32824523 XAXXHPYLOYZMFD-UHFFFAOYSA-N 352.394 2.432 0 40 FEAB Cc1cc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1C(N)=O 32859787 PAYPMTHUEIHVMA-UHFFFAOYSA-N 367.327 2.222 0 40 FEAB COc1ccccc1NC(=O)C[C@H](NCCNc1cccc(C)c1)C(=O)O 8414789 ZWQITJIYAICSQW-KRWDZBQOSA-N 371.437 2.487 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1 10794964 FVHFMDDXAXJYRW-UHFFFAOYSA-N 364.404 2.408 0 40 FEAB Cn1c(SCC(=O)N2CCCCC2)nnc1[C@H]1COc2ccccc2O1 22007409 DYTHERLIARBTJS-OAHLLOKOSA-N 374.466 2.432 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccoc1 53038271 CQTUXPBWXOGQIG-UHFFFAOYSA-N 362.451 2.143 0 40 FEAB CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@H]1C2 103119864 KUUDCXGUWLYZPK-OBJOEFQTSA-N 352.460 2.078 0 40 FEAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 9416958 SXKIJSKHJBKHBV-UHFFFAOYSA-N 357.362 2.322 0 40 FEAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(n3c(nc4ccccc43)[nH]c2=O)N1 12321273 LIAYBCAOAPHQJP-GFCCVEGCSA-N 374.356 2.348 0 40 FEAB Cc1nn2c(=O)cc(CN(C)CCCOc3ccc(F)cc3)nc2s1 43273099 KIYCCFXCWMVYAG-UHFFFAOYSA-N 362.430 2.499 0 40 FEAB CN(C)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(CCOc2ccc(Cl)cc2)C1 107710866 ZKESXOIOSVQTTE-KBRIMQKVSA-N 352.862 2.286 0 40 FEAB O[C@H](COc1ccc(Cl)cc1)CSc1nnnn1C[C@@H]1CCCO1 24832099 CUWMYSNNGMCSIX-OCCSQVGLSA-N 370.862 2.038 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12521242 BKKJNRULLCVXEX-UHFFFAOYSA-N 360.482 2.237 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 101170837 VMPLOLLWEOXXKB-GUDVDZBRSA-N 363.417 2.231 0 40 FEAB COc1ccccc1C1(O)C[C@@H]2CC[C@@H](C1)N2c1ncnc2[nH]cnc12 100159723 IKSYRYBGTSRKBA-STQMWFEESA-N 351.410 2.381 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)cc1 25635322 ILIQYRDBGRIPNG-UHFFFAOYSA-N 356.378 2.062 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 25989485 RRXOOECVBKKPNL-IRXDYDNUSA-N 370.380 2.471 0 40 FEAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 26455865 FZSCHORFQFCQRM-SFHVURJKSA-N 373.453 2.208 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccco2)C1 25319860 YLBUZXPBRKAJGS-GJZGRUSLSA-N 370.405 2.088 0 40 FEAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57481775 RQWVFINTLYGODA-LBPRGKRZSA-N 368.352 2.134 0 40 FEAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc2c(c1)CCCC2 7309919 ZXGPCZQLZZLXPR-UHFFFAOYSA-N 362.451 2.095 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cc2ccccc2o1 7478961 YZAXIHCHIBAXKE-WLRWDXFRSA-N 355.394 2.331 0 40 FEAB COc1cccnc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 58182646 OCBUASLDRKLBQJ-UHFFFAOYSA-N 365.411 2.028 0 40 FEAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCC(=O)O)c12 2129591 KCPXILCTWDXPRT-LBPRGKRZSA-N 361.394 2.412 0 40 FEAB biogenic Cc1nc2ccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2s1 7471347 GQDNLBKUQMYXFT-QGZVFWFLSA-N 358.423 2.264 0 40 FEAB CCN1CCN(Cc2ccc(NC(=O)C[C@](C)(O)C(F)(F)F)cc2)CC1 58341784 INKCZCSAUHHXTF-KRWDZBQOSA-N 373.419 2.466 0 40 FEAB CC(=O)NCCC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 3337093 MLIOPWNNAAGJAR-UHFFFAOYSA-N 361.423 2.236 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1)C1CCNCC1 2345372 HKLVWPJVTVRKAB-IBGZPJMESA-N 369.440 2.491 0 40 FEAB O=C(Cn1cnnn1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10972000 STLLMXXRTRRFCR-UHFFFAOYSA-N 368.344 2.378 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3-c3ccccc3)cnc21 11459135 AQNAHOUGCYRREV-UHFFFAOYSA-N 359.389 2.436 0 40 FEAB COc1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 48302251 KBHRYYNANNQRAN-UHFFFAOYSA-N 372.406 2.263 0 40 FEAB Cc1ccc([C@@H](OC[C@@H](O)CN2C(=O)CNC2=O)c2ccccc2)cc1 12878317 TYDWIGWMODGBBO-HKUYNNGSSA-N 354.406 2.014 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cc(=O)c3cc(C)ccc3o2)CC1 8327502 VNNXCGKQXFBXHH-UHFFFAOYSA-N 358.394 2.452 0 40 FEAB CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](O)c1ccc(F)cc1F)C(C)C 68078499 QZBMWIYOENEVKH-DOTOQJQBSA-N 356.413 2.301 0 40 FEAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 3573648 VXQMMNNZNKRRFZ-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(O)C[C@@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)O 3534503 ZHNSKKAECWOWAJ-SECBINFHSA-N 362.201 2.049 0 40 FEAB CN(C)Cc1ccc(CNC(=O)CCn2cnc3sccc3c2=O)cc1 12948549 SACZIBDBRDHGKS-UHFFFAOYSA-N 370.478 2.226 0 40 FEAB O=C(O)CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3886901 BVYFBBWIOJKBCK-UHFFFAOYSA-N 351.224 2.087 0 40 FEAB COc1ccc(CCNC(=O)COc2ccc(CC(=O)O)cc2)cc1OC 13420785 NCWDSAIHLCPZPO-UHFFFAOYSA-N 373.405 2.069 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NC1CC1 4073845 AOZCEDAJYIAFAG-RHSMWYFYSA-N 362.451 2.331 0 40 FEAB biogenic NC(=O)c1ccc(C(F)(F)F)n(Cc2nc(-c3ccsc3)no2)c1=O 14136698 LIJRHRRQRXPOAW-UHFFFAOYSA-N 370.312 2.126 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1ccc(C(N)=O)cc1)(C3)C2 16812694 WYBDJDNWXRJOEF-XBLGPDGASA-N 370.449 2.304 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3nc(C)cs3)CC2=O)c(OC)c1 8217966 JAKYETUVJDJOEC-NSHDSACASA-N 361.423 2.460 0 40 FEAB O=C(COC(=O)CNC(=O)c1cccc(Cl)c1)NC1CCCCC1 5752491 YIELKHZEDOEWFC-UHFFFAOYSA-N 352.818 2.062 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 6888363 ZYSLQDCLJGJAST-UHFFFAOYSA-N 372.450 2.268 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21 7040959 HSYBBWCVLQUZCS-LBPRGKRZSA-N 351.362 2.358 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CCCc2ccccc21 8519421 HROSXNWIWFAUAM-INIZCTEOSA-N 355.438 2.435 0 40 FEAB COCCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19299361 NULOYZBSYYHFFN-UHFFFAOYSA-N 367.493 2.156 0 40 FEAB CCCCOCCCNC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 9513884 PXDQXJBZVXBPPL-AWEZNQCLSA-N 371.503 2.243 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CC34CCOCC4)C2)nc1 72312757 BSZQGKGWTJGEPM-HOTGVXAUSA-N 357.454 2.384 0 40 FEAB O=C(COc1cccc(N2CCCC2=O)c1)NCCCOCC(F)(F)F 97211313 NLRJLSSPRGOYJA-UHFFFAOYSA-N 374.359 2.277 0 40 FEAB O=C1CN(C(=O)c2cnc(-c3ncccn3)s2)CN1Cc1ccccc1 95448977 AXZHRVTXMIJTKO-UHFFFAOYSA-N 365.418 2.042 0 40 FEAB CCN1CCN(c2ccc(C(=O)NCc3cccnc3N(C)C)cc2)CC1 74218661 RZJUZNJAYFOQPO-UHFFFAOYSA-N 367.497 2.220 0 40 FEAB CNc1cc(N2CCC[C@H]2CNC(=O)N2CCc3ccc(F)cc32)ncn1 173427390 WVLKELKYNNAYQC-HNNXBMFYSA-N 370.432 2.399 0 40 FEAB COc1cc(CNc2nnnn2C)ccc1OCc1ccc(Cl)nc1 22111252 CSMVPTIBOLOMCF-UHFFFAOYSA-N 360.805 2.458 0 40 FEAB CC(=O)Nc1ccc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1 31765714 MUSAZGHMKWAMCS-UHFFFAOYSA-N 371.418 2.281 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 34868164 WVOSGMMLLMNESX-IIAWOOMASA-N 350.484 2.174 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218576844 XTHXNLHYCFLGNL-YQQAZPJKSA-N 365.838 2.309 0 40 FEAB CC(=O)Nc1cc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)ccc1C 542010610 ZZQMOORGWATCST-KRWDZBQOSA-N 355.369 2.238 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NC[C@H]1CCCO1 217576880 VVFKZEAAYRMKEK-CYBMUJFWSA-N 368.455 2.197 0 40 FEAB CCOc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1 224172683 IDARTUXOXKHSTK-UHFFFAOYSA-N 357.414 2.034 0 40 FEAB CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Cl)cc1F 573303339 OPHJVLCUAJMSIM-MEDUHNTESA-N 364.808 2.395 0 40 FEAB Cc1n[nH]c(SCCNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 222991091 AVAJAHXSQSGANJ-UHFFFAOYSA-N 367.283 2.491 0 40 FEAB COc1cc2c(nn1)CCN(C(=O)c1cc(OC(F)F)ccc1F)C2 528838318 ARSNJOQTMWJBSQ-UHFFFAOYSA-N 353.300 2.424 0 40 FEAB NC(=O)N1CCC2(CC1)OCCN(C(=O)N1CCCC1)c1ccccc12 96080326 NVFDKBBKZDTRFA-UHFFFAOYSA-N 358.442 2.109 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N[C@H]1CCO[C@]2(CCOC2)C1 332793224 BRVMSFBIHNFMBF-FXAWDEMLSA-N 370.453 2.052 0 40 FEAB O=C(O)c1cccc(NC2CCN(c3cncc(-n4cccn4)n3)CC2)c1 578240582 ZBAMIKVIEYFMSX-UHFFFAOYSA-N 364.409 2.441 0 40 FEAB O=C(O)[C@]12CCCN(Cc3ccncc3)C[C@H]1CN(Cc1ccco1)C2 96064258 BHKNNNWVTVYRDI-PXNSSMCTSA-N 355.438 2.473 0 40 FEAB Cc1ccc2c(ccn2CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)c1 95473850 GWYAGWFIELTDDY-LJQANCHMSA-N 360.421 2.342 0 40 FEAB Cc1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)n(C)n1 248055768 SMFKOQNLYCFGTE-QGZVFWFLSA-N 351.516 2.232 0 40 FEAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cnc4ncccn34)c2)C1 257218399 DCZTZJDXVVJPJJ-CQSZACIVSA-N 371.466 2.005 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@H](Cc2ccncn2)C1 257211416 BYUGJXRKIMEQMX-QGZVFWFLSA-N 351.450 2.226 0 40 FEAB CC(=O)N1CC2(CCN(Cc3ccc(Cl)cn3)CC2)C[C@]1(C)CO 257207931 BJYCSIKRHPOXLY-QGZVFWFLSA-N 351.878 2.320 0 40 FEAB O=C(O)COc1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1 663038131 MGTYMAFZKRRSIL-NRFANRHFSA-N 367.401 2.464 0 40 FEAB Cc1c(CNC(=O)Cn2cncn2)sc2nc(-c3ccc(F)cc3)cn12 90593820 AOPMWODILXFUQC-UHFFFAOYSA-N 370.413 2.418 0 40 FEAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnn(C2CCCC2)c1 630413989 UCCRCKQSEVMHBE-UHFFFAOYSA-N 361.423 2.448 0 40 FEAB O=C(O)C1(c2ccc(I)cc2)CC2(C1)OCCO2 642882531 JMDXSWQDCFDADZ-UHFFFAOYSA-N 360.147 2.151 0 40 FEAB C[C@H]1c2ncc(CCOc3ccncc3)n2CCN1Cc1cnn(C)c1 585097319 INBRJRSZOZQPFO-HNNXBMFYSA-N 352.442 2.210 0 40 FEAB CCN(CC)CCN(CC(C)C)C(=O)CCn1nnc2ccccc2c1=O 48964986 AKERIUFVIAOBDN-UHFFFAOYSA-N 373.501 2.008 0 40 FEAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nnc(C3CC3)s2)c1 58857437 LDVRDEXXNZJZBM-GFCCVEGCSA-N 364.427 2.288 0 40 FEAB CC1(C)C(=O)Nc2cc(C(=O)NCCc3nc4c(s3)COCC4)ccc21 1157374374 DTIXZLSNMYOFIH-UHFFFAOYSA-N 371.462 2.418 0 40 FEAB CC(=O)N1CC2(CCN(C3CCN(C(C)C)CC3)CC2)C[C@@H](O)C1(C)C 1615153536 ACDVCACTWTUTBB-LJQANCHMSA-N 365.562 2.333 0 40 FEAB COc1ccc(CNC(=O)CSc2nnc3nc(C)cc(C)n23)cc1 5213457 MCDYKXRZOCJOMQ-UHFFFAOYSA-N 357.439 2.158 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1OC 5251188 VERSHMUPNFUBNW-UHFFFAOYSA-N 360.385 2.449 0 40 FEAB COc1ccc([C@H](NC(=O)c2cccnc2)c2nccn2C)cc1OC 12114942 UCQKINAHJKHXQQ-KRWDZBQOSA-N 352.394 2.352 0 40 FEAB COCCN1Cc2cccc(C(=O)N[C@H](C)Cc3ccccn3)c2C1=O 19457092 YGKDCWGMRPBNSF-CQSZACIVSA-N 353.422 2.045 0 40 FEAB CN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1 19589868 KWEZCKGXNDQWRB-QGZVFWFLSA-N 372.860 2.305 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 19699164 KUOLFBQLCRVHAI-CQSZACIVSA-N 373.438 2.414 0 40 FEAB Cc1cnc(C(=O)NCc2ccc(-c3ccc(C(N)=O)c(C)n3)cc2)cn1 19700563 QOXOFTNYRFOZMS-UHFFFAOYSA-N 361.405 2.184 0 40 FEAB COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1 1378402 JSLMXUGJIDDSDL-UHFFFAOYSA-N 360.439 2.252 0 40 FEAB CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(C)CC2)c1=O 22696915 SCBSMYWHCDRROE-HXUWFJFHSA-N 371.481 2.228 0 40 FEAB CCn1ccnc1[C@H]1OCC[C@@H]1N=c1nc(-c2cccc(OC)c2)[nH]o1 585083279 MAQBKCDLGHLTJB-GJZGRUSLSA-N 355.398 2.326 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888853975 LJKNVDMFPFPKDY-STQMWFEESA-N 360.820 2.406 0 40 FEAB Cc1nc(C(F)F)cc(N2CCN(c3ncnc4cnccc34)CC2)n1 1888869441 OUHZXKMHJCLOHA-UHFFFAOYSA-N 357.368 2.387 0 40 FEAB Cn1nc(N2CCN(Cc3csc(C4CCCC4)n3)CC2)ccc1=O 2086884816 SZIMPBFYQTVAFO-UHFFFAOYSA-N 359.499 2.217 0 40 FEAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)C(C)C)c2n1 8942139 RVDMQRMPZKNSFC-UHFFFAOYSA-N 350.492 2.388 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1 12443960 KFMFRNLHXSUWLY-UHFFFAOYSA-N 350.444 2.011 0 40 FEAB CC(C)Sc1ccc2nn(CC(=O)Nc3ccccc3F)c(=O)n2n1 16844526 FLCQCLHZWLUWSU-UHFFFAOYSA-N 361.402 2.169 0 40 FEAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cc(C)cc(C)c2)CC1 2055713183 AQKCXPZVQUDLFT-UHFFFAOYSA-N 370.497 2.254 0 40 FEAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc(Br)cc1 12274319 CXOKUDCFDRHTBA-CYBMUJFWSA-N 365.231 2.247 0 40 FEAB O=C(CCCn1cncn1)NCc1ccc(C(=O)N2CCCCCC2)cc1 40154260 ZZNNTJYOXWVTCJ-UHFFFAOYSA-N 369.469 2.391 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 2560690 JYOQCCFYSJPSLC-CABCVRRESA-N 362.426 2.198 0 40 FEAB O=S(=O)(CCc1nnc(SCc2ccccc2)o1)N1CCCC1 11979183 NWRINUQCYRYCTK-UHFFFAOYSA-N 353.469 2.330 0 40 FEAB CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)n[nH]c1=O 9549327 VTQWLQSBLGZWQB-UHFFFAOYSA-N 372.244 2.337 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2cccs2)cc1 54002896 VRCWXYPISJXIFA-OAHLLOKOSA-N 371.462 2.077 0 40 FEAB COc1ccccc1NC(=O)C1CCN(c2ncnc3c2ncn3C)CC1 47136828 QCNAZXIRUVZEJS-UHFFFAOYSA-N 366.425 2.227 0 40 FEAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2S(=O)(=O)N2CCCC2)cc1 100113519 OJRGDWGEMBDFRA-RKVPGOIHSA-N 366.483 2.268 0 40 FEAB O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 33983212 AYAUNQMZSONQIB-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB Cc1c(NC(=O)[C@@H](C)S[C@@H](C)C(=O)O)c(=O)n(-c2ccccc2)n1C 7785566 CKZWCTGBJCHEDJ-NEPJUHHUSA-N 363.439 2.018 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100610483 UVQZRBXHIFIIGS-KFWWJZLASA-N 366.483 2.074 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)N1CCCC(C)(C)C1)c1ccc(F)cc1 20244432 LDHCEGBUALVJAP-UHFFFAOYSA-N 371.478 2.087 0 40 FEAB CSc1nc(C)c(CCC(=O)Nc2cccnc2-n2cncn2)c(C)n1 58201781 JTGYMDCPNXNLAG-UHFFFAOYSA-N 369.454 2.362 0 40 FEAB CN(C)C1(CNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CCCC1 58218467 NKFUUJOZKIXBFG-UHFFFAOYSA-N 370.453 2.062 0 40 FEAB Cc1cc(CN2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1 306124125 BGTFTZHJKLTFMI-HNNXBMFYSA-N 353.430 2.104 0 40 FEAB NC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCC2 36329938 WDHXSTZTWVFTFL-UHFFFAOYSA-N 355.463 2.333 0 40 FEAB CCN(Cc1cccc(F)c1)Cn1nc(C(=O)NC)c2ccccc2c1=O 10913426 IMDHHVNPKSNYHH-UHFFFAOYSA-N 368.412 2.375 0 40 FEAB CS(=O)(=O)Nc1cccc2c1CCCN2CC(=O)NCc1ccccc1 59258468 LIBPRRGWLHKIBJ-UHFFFAOYSA-N 373.478 2.127 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2cnn(Cc3ccccc3)c2)n1 12856919 DCOMGVZDBFJPNG-UHFFFAOYSA-N 356.407 2.492 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 12811050 RTGCJHTUHAJWDF-RHSMWYFYSA-N 369.421 2.145 0 40 FEAB C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1 16227959 PGLJVMSNJRAQDV-OAHLLOKOSA-N 360.479 2.312 0 40 FEAB COC[C@@H](C)n1c(SCC(=O)NCC(C)C)nc2ccccc2c1=O 3590441 MWKDADHVHMKEST-CYBMUJFWSA-N 363.483 2.468 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc2ccsc2c(=O)[nH]1 12974189 AVYLHPUDUXICAB-UHFFFAOYSA-N 372.450 2.454 0 40 FEAB CN(C(=O)c1ccn(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 76498338 VKPNXVGGJGWXPA-IRXDYDNUSA-N 361.467 2.300 0 40 FEAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408552644 MHVGWIOCJZHRIJ-MNOVXSKESA-N 362.879 2.320 0 40 FEAB COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CCCCCN32)cc1 14246102 LLHOOUNJNYOGBR-QGZVFWFLSA-N 368.437 2.102 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 7003500 GPJJPRMDGUDLRO-GFCCVEGCSA-N 361.847 2.061 0 40 FEAB CCOC(=O)[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 7436589 VIXWIZWAIWHRMX-CQSZACIVSA-N 373.453 2.025 0 40 FEAB O=S(=O)(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1ccccc1 96000657 ZFOCSSDNFJBJHL-OAHLLOKOSA-N 354.435 2.238 0 40 FEAB COC(=O)CCNC(=O)COc1ccc(Cl)cc1Br 9450594 ZLMGLOCCIFORSN-UHFFFAOYSA-N 350.596 2.161 0 40 FEAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1 72301372 IOEAHMJSYBIAKG-HNNXBMFYSA-N 362.426 2.311 0 40 FEAB CN(C)c1ncncc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 95456101 SBMVOSOBRIECEY-UHFFFAOYSA-N 372.448 2.468 0 40 FEAB COC(=O)N1CC(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 89401022 REABFHNCWRNGLS-UHFFFAOYSA-N 365.433 2.430 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)NCc1nc2ccccc2[nH]1 79487253 SUHONDNYAPVAFM-UHFFFAOYSA-N 353.430 2.206 0 40 FEAB C[C@]12COC[C@H]1CN(C(=O)c1nc(-c3ccccc3)n3c1COCC3)C2 1550687069 HZROPUIFKIIBCK-QRWLVFNGSA-N 353.422 2.189 0 40 FEAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1OCCC2 517115278 SNPFRQQBVWYHGV-UKRRQHHQSA-N 352.456 2.489 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccccc1 524730826 YPZULNPGRGRLOB-MDKPJZGXSA-N 350.418 2.455 0 40 FEAB biogenic O=C(O)c1ccc(N2CCCC2)c(S(=O)(=O)NCc2ccccc2)c1 217473561 DRHJAGAYXCIZHC-UHFFFAOYSA-N 360.435 2.464 0 40 FEAB Cc1c(C(=O)N2CCn3c(nnc3[C@H]3CCCN3)C2)oc2ccccc12 72373947 SERLMKVOEYLENP-CQSZACIVSA-N 351.410 2.413 0 40 FEAB COc1cc(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc(OC)c1 224140308 AJJWEJIIAXYQOD-UHFFFAOYSA-N 360.418 2.270 0 40 FEAB NC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)cc1 49026238 CJFQQNOJGMBNJJ-UHFFFAOYSA-N 372.812 2.320 0 40 FEAB COCc1nc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2C)n[nH]1 329840575 NFQOFVDHVUGRSJ-OAHLLOKOSA-N 364.471 2.317 0 40 FEAB COc1ccc(N(C)C(=O)c2sc(N(C)S(C)(=O)=O)nc2C)cc1 225879992 DQMIAHPEGVKMJQ-UHFFFAOYSA-N 369.468 2.133 0 40 FEAB CCCCNC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223171983 HUYJFCAFVOYBRC-UHFFFAOYSA-N 368.499 2.329 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCCCC2)cc1 225090898 GMQNOOADLIYFPP-UHFFFAOYSA-N 350.440 2.199 0 40 FEAB COc1cccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225946289 FAHDLWXWLPLIFQ-INIZCTEOSA-N 366.414 2.453 0 40 FEAB COCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)C[C@H]1COC 96206531 SFYUJIHVLGFXJJ-SFHVURJKSA-N 350.503 2.463 0 40 FEAB Cc1cc(C)c(-c2cn(Cc3nnc4n3CCC4)nn2)c(-n2cccn2)c1 91526710 NOTOGPUYFPAXCF-UHFFFAOYSA-N 360.425 2.334 0 40 FEAB COCCn1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)c2ccccc2c1=O 96118427 ISIDEKYMRJXHMJ-UHFFFAOYSA-N 369.425 2.217 0 40 FEAB COC[C@@H]1COCCC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 96106301 AAUHBRWDIFUYON-MRXNPFEDSA-N 353.484 2.449 0 40 FEAB Cc1nc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1 96224380 DAJZANNMHSCLEG-SFHVURJKSA-N 359.499 2.200 0 40 FEAB O=C(N1CCCC1)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 96217946 GTWXDVWYFOTIJD-HNNXBMFYSA-N 357.414 2.271 0 40 FEAB F[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2ccncc2[nH]1 96112123 SWNSGQWSJRYKRS-ACJLOTCBSA-N 370.384 2.426 0 40 FEAB biogenic,in-vitro O=C(NC[C@@H]1CCC2(CN(Cc3ccccc3F)C2)OC1)c1ccno1 247464421 CCLMXFWNQHLILU-AWEZNQCLSA-N 359.401 2.225 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247733708 IZCFTZKHKXGQMN-INIZCTEOSA-N 360.454 2.427 0 40 FEAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)c1 248147063 WDRSJOKRYYXXDM-QGZVFWFLSA-N 369.469 2.201 0 40 FEAB CN(C)C[C@@H]1CCC2(CN(S(=O)(=O)c3ccccc3Cl)C2)OC1 248106285 ITCPGNQQJFGPDW-ZDUSSCGKSA-N 358.891 2.071 0 40 FEAB CC(C)c1nccn1CCC(=O)N1CCO[C@H](CCc2ccncn2)C1 257253920 KAVXBFOIRDGOAG-QGZVFWFLSA-N 357.458 2.047 0 40 FEAB Cc1nc[nH]c1CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257231016 GEVHBFZUNNNKQJ-SFTDATJTSA-N 354.498 2.362 0 40 FEAB Cc1ncc(CNC(=O)c2ccc3c(c2)OCO3)c([C@@H]2CCCN2C)n1 257312871 UPYFHASKFMQJCD-HNNXBMFYSA-N 354.410 2.210 0 40 FEAB c1cnc(Nc2cc(C[C@H]3CCCN(Cc4c[nH]cn4)C3)ncn2)cn1 257312532 UOKAJHDCEGUEGC-CQSZACIVSA-N 350.430 2.188 0 40 FEAB Cn1ccnc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257282791 OVIDKEDWHWWNQF-APWZRJJASA-N 359.401 2.402 0 40 FEAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(CC(=O)N(C)C)C2)n1 257252180 JTVBDDRBMKDSOP-AWEZNQCLSA-N 374.514 2.479 0 40 FEAB COC(=O)C1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CC2(CCC2)C1 597085672 GUXYVYCVZGYMII-UHFFFAOYSA-N 357.366 2.092 0 40 FEAB C[C@H](C(=O)Nc1ccc(CN(C)C)c(Cl)c1)n1cnc2c(N)ncnc21 614283098 YEXOWEFRVUVAOX-SNVBAGLBSA-N 373.848 2.323 0 40 FEAB CN(C(=O)CSCC(=O)N1CCC2(CCO2)CC1)C1CCCCC1 619732206 SYXVGTSBECCYAL-UHFFFAOYSA-N 354.516 2.292 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(F)c(Br)c1 643764190 QPEZSBGXUSMTFE-HNNXBMFYSA-N 359.239 2.315 0 40 FEAB NC(=O)[C@H]1CN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CCO1 665576905 AOKKCZNPFWXYII-GOSISDBHSA-N 359.470 2.173 0 40 FEAB O=C(Cc1cscn1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 668275347 YCIDAEGGAIUGIB-HNNXBMFYSA-N 373.434 2.404 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1 680538683 OXQOXOPGCWVLSN-IKGGRYGDSA-N 355.456 2.090 0 40 FEAB C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CCN(C2CC2)C1 297686826 XKLCEZVQCIAUGG-KVSKMBFKSA-N 358.486 2.427 0 40 FEAB CN1CCc2cc([C@@H](O)CNC(=O)c3ccc(Br)o3)ccc21 96362385 GOYNUEVYYYZOSO-ZDUSSCGKSA-N 365.227 2.498 0 40 FEAB O=C(/C=C/c1ccco1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831224 QNSLYJURMWOVGT-ONEGZZNKSA-N 356.407 2.323 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](COc3cccnc3)CN2C)C1 585093887 MVYOITUHVDQNLD-MRXNPFEDSA-N 354.454 2.070 0 40 FEAB CNC(=O)c1cccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 57387521 YOAZDGALDMMXFD-OAHLLOKOSA-N 355.419 2.488 0 40 FEAB CC[C@@H]1CN(C(=O)c2ccccc2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594904 FSCJFHYOJVCSCW-VBSBHUPXSA-N 360.498 2.257 0 40 FEAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O 5060684 ZOLZDFUCERWWEP-AWEZNQCLSA-N 369.421 2.405 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 5612017 YDEUVQYWXLGQCA-VAWYXSNFSA-N 356.447 2.233 0 40 FEAB CC(=O)c1cccc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)c1 12595887 LBHBSJGBFVOCON-UHFFFAOYSA-N 350.374 2.443 0 40 FEAB CNC(=O)c1ccc(NC(=O)COc2c(OC)cc(C)cc2OC)cc1 14317588 TVLNGWZDIBOQKI-UHFFFAOYSA-N 358.394 2.389 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c(C)c1 15586838 GDQVLPHQYSFTKH-UHFFFAOYSA-N 350.484 2.291 0 40 FEAB COCCN(CCOC)c1nc(C)nc2c1CN(Cc1ccccc1)CC2 19286156 IHWBWSTYJVQCDL-UHFFFAOYSA-N 370.497 2.443 0 40 FEAB CCc1nnc(NC(=O)CN2C[C@@H](C)N(Cc3ccco3)C[C@H]2C)s1 19523679 NEQQYIGUDMIIPG-CHWSQXEVSA-N 363.487 2.227 0 40 FEAB CCn1ncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1C 19523920 UCKIZMZRTDKXDP-QFBILLFUSA-N 368.485 2.100 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2c2ccnc3ncnn23)c(OC)c1 19551930 SVIGEKFFOZZTGC-AWEZNQCLSA-N 353.382 2.119 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 19553105 TWKWEFNXCUPERC-OAHLLOKOSA-N 364.409 2.049 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1 19661343 GEVBCMBDYNGORU-KRWDZBQOSA-N 354.389 2.351 0 40 FEAB CCN1CCN(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)C(=O)C1=O 206875631 ZWZWEKWJXZNDRM-OAHLLOKOSA-N 361.417 2.206 0 40 FEAB COCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 12113445 NSLPGMLWMLULOT-CYBMUJFWSA-N 356.209 2.090 0 40 FEAB CN(C)c1ccnc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1 1888850430 PPIMWOLEEAZMSC-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB O=C(CCc1ccc(Br)cc1)N1CC(Nc2ncccn2)C1 238812530 AQPFFETVGLRBBW-UHFFFAOYSA-N 361.243 2.495 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cnn1C 2037909257 JBWWJIGHAMNEQZ-OAQYLSRUSA-N 371.481 2.484 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 4940645 ZFZBMPMOBLRLPZ-UHFFFAOYSA-N 372.402 2.063 0 40 FEAB CCCSc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839523 AGBHLGPKQLGHRI-UHFFFAOYSA-N 358.467 2.293 0 40 FEAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1 17052298 INQSBVAJFKWWQE-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055717906 DYFMVFZRPQSVQF-ZDUSSCGKSA-N 372.494 2.496 0 40 FEAB COc1c(C)cnc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1C 2086865130 NXTKPWHYXLOCFA-HNNXBMFYSA-N 367.515 2.095 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)c1cncc(Br)c1 40081227 QIIWJSRTMFTQPJ-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB Cn1ncc2c(N3CCN(Cc4nc5ccccc5s4)CC3)ncnc21 40034709 GSZTYKAEKJFFCS-UHFFFAOYSA-N 365.466 2.295 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1Br 30287653 VWKFIVOJQALLNS-ZCFIWIBFSA-N 356.263 2.374 0 40 FEAB CCSc1nnc(C(F)F)n1NC(=O)c1nn(C)c(C)c1Cl 2791630 CNCPXFQYFMFIIQ-UHFFFAOYSA-N 350.782 2.407 0 40 FEAB Cc1nn2c(SCC(=O)N(c3ccccc3)C(C)C)nnc2nc1O 4251406 TUUCAYSJCXJENL-UHFFFAOYSA-N 358.427 2.067 0 40 FEAB COc1ccc([C@@H](CNCc2c(C)nn(C)c2C)N2CCOCC2)cc1 32740384 NDPFAABCINARSR-HXUWFJFHSA-N 358.486 2.209 0 40 FEAB Cc1cc(C)c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c(C)c1 7694198 COIMFHCHWWUYQY-UHFFFAOYSA-N 363.435 2.495 0 40 FEAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccc(F)cc1 8732502 YDOUBEHFROFBHU-GFCCVEGCSA-N 372.352 2.281 0 40 FEAB Cc1nnc(O)nc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 11990603 RJSAYJVJUZPLTC-UHFFFAOYSA-N 362.411 2.182 0 40 FEAB O=C(C[C@@H]1CCCO1)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145894 GOYNPIHQCVYSLM-KURKYZTESA-N 369.465 2.490 0 40 FEAB Cn1c(CSCCCOc2ccc(Cl)cc2)cc(=O)n(C)c1=O 32909500 FLUYIURTMPRFKP-UHFFFAOYSA-N 354.859 2.440 0 40 FEAB COc1cccc(Oc2ccc(C(=O)N[C@H]3CCC(=O)N[C@@H]3C)nc2)c1 517858075 CRMFZQUREKXWMK-WBMJQRKESA-N 355.394 2.279 0 40 FEAB Cn1c(CN2CCc3sccc3[C@@H]2c2cccs2)cc(=O)n(C)c1=O 22385925 MOKQSXFPGVAMIL-QGZVFWFLSA-N 373.503 2.355 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2Cl)c1 2805105 NKXBYENKGJLSCL-UHFFFAOYSA-N 365.846 2.428 0 40 FEAB CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20105965 NVEUSRHJIHJHRV-SFHVURJKSA-N 366.527 2.433 0 40 FEAB C[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H](C)O1 23584713 PGGKZHNTPAVIAU-GHMZBOCLSA-N 352.232 2.066 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24610890 DICBAPOAZIVAJI-UHFFFAOYSA-N 352.500 2.405 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc12 25163679 HBGZLXIPRXBTJP-UHFFFAOYSA-N 370.438 2.041 0 40 FEAB CCOC(=O)[C@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(O)c(OC)c1 1404454 XHRRTYBCUKFJNW-SJORKVTESA-N 368.389 2.198 0 40 FEAB O=C(COC(=O)c1ccc[n+]([O-])c1)NC(c1ccccc1)c1ccccc1 3288238 SYMNBJXLCJIMPR-UHFFFAOYSA-N 362.385 2.383 0 40 FEAB COc1ccccc1OCCC(=O)OCC(=O)NCc1ccc(F)cc1 3286957 NGHOCTXFIXJLCX-UHFFFAOYSA-N 361.369 2.463 0 40 FEAB C[C@@H](CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)CN1CCCC1=O 58138201 IZGHXSKAEUBRKJ-JSGCOSHPSA-N 350.846 2.266 0 40 FEAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1 10208410 IYRRSUJIQVKPSJ-AWEZNQCLSA-N 361.467 2.497 0 40 FEAB Cc1ccc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 12859121 VYKROKMKALFHCD-OAQYLSRUSA-N 363.417 2.220 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1 12816206 ZHBTUDCEOZBWFA-UHFFFAOYSA-N 359.356 2.173 0 40 FEAB Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12899174 SFDKDSAXUQBGSC-UHFFFAOYSA-N 373.405 2.338 0 40 FEAB biogenic O=C(CN1CSCC1=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12947444 GHZLSFPLMBHILB-UHFFFAOYSA-N 369.418 2.484 0 40 FEAB COc1cc2c(cc1NC(=O)[C@H](C)N1CCNC(=O)C1)oc1ccccc12 6083490 BIDQSLWFACSPPQ-LBPRGKRZSA-N 367.405 2.353 0 40 FEAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1ncccc1C)C(F)(F)F 6208729 OFLUGIMRGYZOEL-CQSZACIVSA-N 357.288 2.257 0 40 FEAB COc1cc(OC)cc(C(=O)NC(=S)NCc2ccc(C(=O)O)cc2)c1 20153507 AVVGFCZMJNCOMB-UHFFFAOYSA-N 374.418 2.207 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14137721 AIWAEBNVDMARIG-UHFFFAOYSA-N 350.465 2.036 0 40 FEAB COc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14159892 HLZVOSCRIUPEOF-GFCCVEGCSA-N 372.446 2.395 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCOc3ccccc32)cc1 14200227 UUIKOIOIMACFHH-QGZVFWFLSA-N 374.462 2.256 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCc1ccc(F)cc1 6602049 CJIFVPMFZBRGFK-UHFFFAOYSA-N 359.353 2.113 0 40 FEAB Cc1ncsc1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 92453983 WAGRTAHCFRGZBM-UHFFFAOYSA-N 351.497 2.348 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCC)cc1 408526328 ATMNOEUFNXHWKT-CQSZACIVSA-N 356.488 2.449 0 40 FEAB CCn1cnnc1SCC(=O)N(C)CC(=O)Nc1c(C)cccc1C 7868732 IUUYNUNMAPGTMP-UHFFFAOYSA-N 361.471 2.104 0 40 FEAB CCN(CCCNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 9154858 LMAQGWIYYIQYPR-UHFFFAOYSA-N 353.466 2.378 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2CCCN(C(=O)CCc3ccccc3)CC2)C1 83243669 GMXBQVWMJHTTNC-LJQANCHMSA-N 371.525 2.412 0 40 FEAB COc1ccccc1C[C@H]1CCCN1C(=O)NCc1cnc(N(C)C)n1C 83738343 FPJIPFISMBBBIM-MRXNPFEDSA-N 371.485 2.411 0 40 FEAB CCC(C)(CC)NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 84334335 VPAIKESZSCTLMG-ZIAGYGMSSA-N 365.478 2.219 0 40 FEAB Cn1c(=O)c(CCC(=O)Nc2nc3c(s2)CCC3)nc2ccccc21 72403187 FGCNXSKPTNPLFW-UHFFFAOYSA-N 354.435 2.450 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)O)c12 95095763 XLMNRNHLAJSLBR-SNVBAGLBSA-N 351.428 2.095 0 40 FEAB CCc1nc(COC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cs1 22739560 TZXDXLWUEUCTCD-UHFFFAOYSA-N 368.480 2.378 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 30976444 DKHFBMRDUOHPSP-FZKQIMNGSA-N 355.394 2.085 0 40 FEAB O=C(Nc1cccc2c1CCNC2=O)N[C@@H]1CCCc2nc(O)ccc21 1562940219 NOWQELAEAOYDPV-MRXNPFEDSA-N 352.394 2.272 0 40 FEAB O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1 70762590 ASOTVRCFEXXERB-LBPRGKRZSA-N 351.371 2.477 0 40 FEAB COCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217637711 SZTLIKFIXIXTOE-UHFFFAOYSA-N 350.396 2.244 0 40 FEAB C[C@@H](C(=O)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 43305677 JUSYQQAIYZRKHP-AWEZNQCLSA-N 371.403 2.075 0 40 FEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 223729521 GOXGUNHDPLMSAV-SJORKVTESA-N 358.467 2.346 0 40 FEAB CCN(CC)C(=O)CCNS(=O)(=O)c1ccccc1OC(F)(F)F 48309428 GSKHHALTXLMLAL-UHFFFAOYSA-N 368.377 2.122 0 40 FEAB COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1C 191444584 WIWPYEROGVRIAT-UWVGGRQHSA-N 370.247 2.049 0 40 FEAB COc1ccc2cccc(CC(=O)N3CCC(N(C)CC(=O)O)CC3)c2c1 577279826 MLBBLVSHZHNJTE-UHFFFAOYSA-N 370.449 2.398 0 40 FEAB O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 96074727 AZVCVQBDGRWYIG-LJQANCHMSA-N 356.401 2.127 0 40 FEAB COc1cc(C)c([C@H](C)NC(=O)N[C@@]2(C(=O)O)CCSC2)cc1OC 581287653 HLILOMYVRYMNQC-GTNSWQLSSA-N 368.455 2.333 0 40 FEAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCC1=CCCCC1 96223338 XCTOFGWEZJNEGC-INIZCTEOSA-N 359.426 2.487 0 40 FEAB COCCN1C(=O)CCC12CCC(NC(=O)NCc1ccccc1)CC2 96228561 FAFUYZPXYASRQI-UHFFFAOYSA-N 359.470 2.436 0 40 FEAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)ccn1 257269459 MPZYDNMFFKBHJN-OAHLLOKOSA-N 350.426 2.439 0 40 FEAB O=S(=O)(NCc1cnc([C@@H]2CCCCO2)nc1)c1ccccc1F 257265725 MAAOZGUSBAXZRB-AWEZNQCLSA-N 351.403 2.336 0 40 FEAB Cc1nc2ccc(C(=O)N3CCO[C@@H](CCc4ccncn4)C3)cc2[nH]1 257269667 MQWKSACGVOEIKA-INIZCTEOSA-N 351.410 2.135 0 40 FEAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CCCO3)CC2)nn1C 257239646 HQFXZGDCYYGHPX-GPMSIDNRSA-N 362.518 2.393 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)nc(C)n1 257294680 QVGOGIZZERQZJL-LJQANCHMSA-N 354.454 2.369 0 40 FEAB CCc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 257283772 OZUNYPCPGGXQNV-HXUWFJFHSA-N 354.454 2.143 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(-c2cncnc2)n1 257247749 JAHPIZNWMIGGIT-OAHLLOKOSA-N 362.389 2.451 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1n[nH]c2ccccc12 257278059 OAPCHLYBNPSXJB-AWEZNQCLSA-N 351.410 2.135 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)C1 663479636 INZFDGGIZYDPNA-XGXHKWSGSA-N 361.461 2.120 0 40 FEAB NN1C2=NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)CN2c2ccccc21 675019235 JSVMPFDFWBDWES-LLVKDONJSA-N 369.812 2.381 0 40 FEAB C[S@](=O)c1cccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 613704323 FFKWRKFPILXFQK-DEOSSOPVSA-N 363.870 2.435 0 40 FEAB Cc1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c(C)o1 390830452 LFGOHQZOBBCMIB-UHFFFAOYSA-N 352.394 2.479 0 40 FEAB COc1cc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)cc2c1OCCO2 671534508 XYVHRFMWLJREDU-MAUKXSAKSA-N 370.405 2.464 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2nncs2)CC1 825567126 ZKVWNSLXKYAQCP-UHFFFAOYSA-N 365.889 2.485 0 40 FEAB CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 75105861 GNXZORSLDXWZIB-UHFFFAOYSA-N 368.499 2.343 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N1CCCC1=O)CC1(CCOCC1)O2 12087035 QCHXITIFLWISBM-WBVHZDCISA-N 372.465 2.495 0 40 FEAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccc(Cn2cccn2)o1 12141904 NVADJGCWWFJARL-ZDUSSCGKSA-N 350.382 2.088 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCC[C@H]3C)n2)c(C)o1 12146809 QBCKIUAOSRBESB-BZNIZROVSA-N 358.442 2.397 0 40 FEAB O=S(=O)(NC1CCCCC1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585655 GIAYJLJGANZXPZ-UHFFFAOYSA-N 368.480 2.336 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)CCn3ccnc3C)c2C2CC2)on1 19124377 YDNITEKZHGVLJI-UHFFFAOYSA-N 368.441 2.435 0 40 FEAB CCOc1cccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 19932669 XWEYDSSUQGHEBH-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575607574 NRUOYLHYOJNQFA-WFASDCNBSA-N 357.859 2.065 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 6416171 JWEDMRZACYLSDO-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB COc1ccccc1N1CCN(c2cc(-n3cc(C)cn3)ncn2)CC1 1888906216 GHJPLVWHKVHSQW-UHFFFAOYSA-N 350.426 2.306 0 40 FEAB CN(C)c1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)n1 1889108880 DNIGPMAILQNXMV-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@@H](N(C)c2ncc(C)cn2)C1 1889149115 OEJOUKBXLGPSQJ-QGZVFWFLSA-N 354.454 2.464 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1=O 2037985643 QWSBVYDQKWWKSS-HXUWFJFHSA-N 359.470 2.033 0 40 FEAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1 2952311 IIGZHRADSROPEO-UHFFFAOYSA-N 351.406 2.177 0 40 FEAB COc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 9319629 WSPRZJYXSXXJIP-UHFFFAOYSA-N 352.394 2.022 0 40 FEAB Cc1ccc(CNC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006740 KXAYYAMCKHQGIC-UHFFFAOYSA-N 365.477 2.353 0 40 FEAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)c4csc(C)n4)C[C@@H]32)cn1 2055713198 DNAOQTZTYKHJHV-YSVLISHTSA-N 359.451 2.321 0 40 FEAB CC(C)(C)C(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745489 DGFGELLLUGVXIW-UHFFFAOYSA-N 350.488 2.241 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1cccs1 22767240 ZAWLWOYUOZVRGT-CYBMUJFWSA-N 358.510 2.161 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@@H](NCCN3CCC(C)CC3)C2=O)cc1 100144223 XEKYPGFMZHQMJA-LJQANCHMSA-N 373.497 2.429 0 40 FEAB Cc1ccc(NC(=O)c2cncc(Br)c2)cc1-n1cnnn1 31996859 SCDJIDJWIHQOPG-UHFFFAOYSA-N 359.187 2.381 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccccc1 20568093 UGKFCAZSDFBVCY-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 2560856 ZPRHVPHDENDZTP-HUUCEWRRSA-N 362.426 2.198 0 40 FEAB biogenic NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2CCc2ccccc2)C1=O 2152186 HLQPGBVLKOXMMG-OALUTQOASA-N 374.444 2.311 0 40 FEAB biogenic CCOC(=O)c1sc2ncn3nc(Cn4nccc4C)nc3c2c1C 2791532 WXTRBXGDGZUSQP-UHFFFAOYSA-N 356.411 2.377 0 40 FEAB Cc1cc(C)c2cc(CN(CCO)C(=S)NCC(C)C)c(=O)[nH]c2c1 4131899 JMDWPJDXATVYEJ-UHFFFAOYSA-N 361.511 2.470 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c(F)cccc1F 6201788 GDQSXEZRKNPECQ-SECBINFHSA-N 358.341 2.409 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCCC3)cn2)cc1 6213954 AGBHGCIDEYTOHX-UHFFFAOYSA-N 360.439 2.212 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3ccsc3)CC2=O)cc1 32803179 OVTSFQJHNHWWPM-DLBZAZTESA-N 372.490 2.377 0 40 FEAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6648359 OPDNXZUKQOCNRM-ZSOIEALJSA-N 362.407 2.368 0 40 FEAB O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680544 NTTWMJGKFSJVPL-UHFFFAOYSA-N 352.437 2.491 0 40 FEAB COC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1ccc(C(=O)OC)cc1 7960221 ANUUEZYBRDGHQO-HNNXBMFYSA-N 360.435 2.314 0 40 FEAB NC(=O)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 10044251 MGWLLEYTRGCRDF-CYBMUJFWSA-N 358.341 2.210 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102700594 YJBICDKQGLDXQD-TXEJJXNPSA-N 364.804 2.389 0 40 FEAB CCCSCC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 89960401 HCSCDJVIQMTVNJ-UHFFFAOYSA-N 371.890 2.240 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccnc1Cl 8429130 MSUKOPUTUAOCBD-SFHVURJKSA-N 370.796 2.067 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 21962628 SREOOUIDEZVBSJ-AWEZNQCLSA-N 352.394 2.242 0 40 FEAB Cc1ccc(C)c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 645895 ODQIDAWHZDIKQV-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB CC[C@@H](C)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 22416415 BMBMQXXYFYFCBI-CQSZACIVSA-N 358.442 2.436 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 23625295 SFZDSCDWXNWYED-UHFFFAOYSA-N 357.498 2.336 0 40 FEAB C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2 25029016 FKVZZFDYBLNWSJ-AWEZNQCLSA-N 370.405 2.370 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1 12508120 HEDKDGQJBALHGT-UHFFFAOYSA-N 373.390 2.465 0 40 FEAB CCCOC(=O)[C@@H](CC)n1cnc2sc(C(=O)OC)c(C)c2c1=O 1784716 PPPGAOKYVPYNKT-SNVBAGLBSA-N 352.412 2.457 0 40 FEAB C[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1cccc(S(N)(=O)=O)c1 57898068 QIWIPQHTESJODP-ZDUSSCGKSA-N 374.462 2.079 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)cc1 3234700 VLZYPZUXNBLLNE-CQSZACIVSA-N 368.389 2.189 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 3235671 VENPJSYSWSTVIL-UHFFFAOYSA-N 350.733 2.374 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 10025095 CLPDIELWNFZOMF-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCC[C@@H]1CCO 2284119 YDMKISQFASJMLX-CYBMUJFWSA-N 359.426 2.130 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O)c1ccccc1F 2321242 XQYVOLNWZPSTGZ-INIZCTEOSA-N 365.286 2.391 0 40 FEAB O=C(c1cccc(N2CCNC2=O)c1)N1CCO[C@H](c2ccccc2)C1 48234891 HHOYXZGOBRXHEM-SFHVURJKSA-N 351.406 2.430 0 40 FEAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 12773867 XGZNOZMEOBKXBF-HUUCEWRRSA-N 353.488 2.088 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 48332654 MUKXIRYCDCQLFC-UHFFFAOYSA-N 372.429 2.352 0 40 FEAB O=C(NCCN1CCc2sccc2C1)c1cccc(N2CCNC2=O)c1 48362994 OQWFOLAQPHIISV-UHFFFAOYSA-N 370.478 2.066 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 12823472 ISYHHHHOVAAHNR-UHFFFAOYSA-N 351.362 2.125 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 12819772 YZCKUOKSQPEZRJ-OAHLLOKOSA-N 354.362 2.052 0 40 FEAB CC(=O)N1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)Oc2ccccc21 12979023 BBSLLCHBSPHCNM-DNVCBOLYSA-N 352.390 2.441 0 40 FEAB CC(=O)Nc1ccc(F)c(C(=O)N2CCCN(CC(F)(F)F)CC2)c1 65055774 QETJGNSKDSNHHT-UHFFFAOYSA-N 361.339 2.494 0 40 FEAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cccnc1 49944691 JNCYQEIQNSZTKA-IBGZPJMESA-N 355.438 2.260 0 40 FEAB COC(=O)c1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)cc1 14016916 LYNBJZZTWSXHNJ-UHFFFAOYSA-N 357.410 2.094 0 40 FEAB COCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)n[nH]c1=O 14137208 RNJCYNQHYVUOHN-UHFFFAOYSA-N 365.390 2.089 0 40 FEAB CCN(Cn1nc(-c2cccs2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 14182431 BZVJHUCKJTUPKL-NSHDSACASA-N 372.541 2.146 0 40 FEAB CCc1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3sccc32)cc1 6678869 JKFSEYZFVNSORH-UHFFFAOYSA-N 357.435 2.446 0 40 FEAB NC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 27793343 UNYHGGAMKKOZFE-UHFFFAOYSA-N 365.345 2.464 0 40 FEAB Cc1n[nH]c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 14803095 BRTPJOWJJAXIFX-UHFFFAOYSA-N 351.863 2.207 0 40 FEAB CCc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 5791363 YKSSCFGRBCPBAI-GOSISDBHSA-N 364.449 2.098 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 67285922 QZADEVXFMHEQDK-INIZCTEOSA-N 365.380 2.232 0 40 FEAB C[C@H](OC(=O)c1ccc[nH]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 7452931 CQSSJMXFNQEWIG-NZWMYCLXSA-N 359.426 2.355 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3=O)cc2)no1 7447804 DSBJQHWQRXIQNU-GFCCVEGCSA-N 357.366 2.294 0 40 FEAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCOCC1 8938083 RDVQDFJGKGLACT-LBPRGKRZSA-N 359.455 2.014 0 40 FEAB COc1ccccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 306140789 VEGRUDCNKWEEHH-IIDMSEBBSA-N 373.478 2.029 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9253161 XEKUPACCKWNBNH-KBPBESRZSA-N 371.462 2.299 0 40 FEAB O=C(CSc1nncn1CCc1cccs1)NC(=O)c1ccco1 9836496 HIADMQCGBJZUNI-UHFFFAOYSA-N 362.436 2.224 0 40 FEAB COc1ccc(OCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 19618817 XGCCMKFYRDXQKB-UHFFFAOYSA-N 364.423 2.059 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4ccccn4)nc3[C@@H]2C)no1 306131841 KQSFPBMVSPPXRQ-AWEZNQCLSA-N 366.425 2.081 0 40 FEAB Cc1ccccc1-c1noc(=O)n1CCS(=O)(=O)Oc1ccccc1 84247736 HMVANNDDCPTVGU-UHFFFAOYSA-N 360.391 2.221 0 40 FEAB COc1ccc(N2C[C@H](C(=O)N[C@H](CCO)C3CCCCC3)CC2=O)cc1 95426653 AIOSSEUGALSUAZ-VQIMIIECSA-N 374.481 2.496 0 40 FEAB CCNC(=O)NC1CCC(OC(=O)c2ccc(Cc3nc[nH]n3)cc2)CC1 95452216 JKDXKOUOSNOPFU-UHFFFAOYSA-N 371.441 2.183 0 40 FEAB C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)CCO1 95457578 WDTGOMSNTKCRCD-STQMWFEESA-N 353.419 2.105 0 40 FEAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc[n+]1[O-] 76926092 UGHFHAOPUZSXKP-UHFFFAOYSA-N 355.799 2.109 0 40 FEAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1=O 78870218 XBFAKQQJPJMLER-BRWVUGGUSA-N 373.497 2.298 0 40 FEAB CN(C)C(=O)N1C[C@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 306139077 SOVPSHOFSGAZEP-DLBZAZTESA-N 356.401 2.190 0 40 FEAB CCOC[C@@H]1CCN(CC2CC2)C2(C1)CN(c1cc(C)nc3ncnn13)C2 306124914 CCAJFMOGPVMKEG-QGZVFWFLSA-N 370.501 2.150 0 40 FEAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22536007 BVJTYALIBAVLIC-CQSZACIVSA-N 364.442 2.465 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306129258 HYSJIQQBQXCLPN-INIZCTEOSA-N 354.406 2.235 0 40 FEAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2SC)CC1 38718295 FCMHQYYINJYHBR-UHFFFAOYSA-N 365.455 2.084 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)n1 408625367 XVWUSTFEDPTBRG-UHFFFAOYSA-N 373.269 2.763 0 40 FEAB CCOc1ccc(NC(=O)C[C@H]2N=C(N3C[C@@H](C)C[C@H](C)C3)NC2=O)cc1 35379652 BIYLAXXTVMHDRX-GRDNDAEWSA-N 372.469 2.246 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35876646 CWQLKWUYLMVUJI-MDASCCDHSA-N 369.465 2.141 0 40 FEAB Cc1c(Cl)cccc1NS(=O)(=O)CC1=NC(=O)n2cccc2C1=O 32611909 APYHRKIJIFAPIZ-UHFFFAOYSA-N 365.798 2.497 0 40 FEAB COC(=O)C1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 35162789 LSOCEPAIMPYJKJ-UHFFFAOYSA-N 356.216 2.483 0 40 FEAB O=C(Nc1nncs1)c1cn(-c2cccc(Br)c2)nn1 32816415 PLQAJEOKXJXHEO-UHFFFAOYSA-N 351.189 2.134 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 46063196 TVEPOLWCTGHBLN-SOUVJXGZSA-N 363.458 2.483 0 40 FEAB COc1cc(N2CCOCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957174 QSIBCASPZMKYFJ-CYBMUJFWSA-N 373.482 2.369 0 40 FEAB CCS(=O)(=O)N1CCC2(CCN(C(=O)c3ccsc3)CC2)CC1 96047280 WFLIYHGZBWJKHY-UHFFFAOYSA-N 356.513 2.416 0 40 FEAB O=C(O)c1cccc(-c2nc(CN3CCOC[C@]34CCOC4)cs2)c1 578515319 RNGPNLAXOSVPOH-GOSISDBHSA-N 360.435 2.500 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 95479448 DISANZGFEWAPDF-CQSZACIVSA-N 358.442 2.308 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)c2cn(C)nc2-c2ccoc2)c1 580279895 WAYMSVCROCQJGG-UHFFFAOYSA-N 352.394 2.360 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccsc1)C2 96230464 GYYXKFYBWDFFAW-LJQANCHMSA-N 373.453 2.451 0 40 FEAB Cc1cccc(-n2cc(C(=O)N3C[C@H](N)CC[C@H]3C(F)(F)F)nn2)c1 583619895 VVTFBDCKPHNHMC-RISCZKNCSA-N 353.348 2.070 0 40 FEAB Cc1ccc(CN2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)s1 248107572 PSCOIOJPPDERPS-QGZVFWFLSA-N 374.510 2.449 0 40 FEAB CN1CCCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 248155271 VJLNLVUXIAWGDB-ZRRCRCOKSA-N 354.450 2.211 0 40 FEAB CC(=O)N1[C@@H]2CN(C(=O)Cn3nc(C)cc3C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257219766 DIARXGAPZNFZKE-HLNWXESRSA-N 358.486 2.280 0 40 FEAB Cn1ccc(CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)n1 257310242 UEIVOSAUVWILKM-SFTDATJTSA-N 354.498 2.064 0 40 FEAB COc1ccc(COCC(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cn1 627547460 DQNVYSJOUZXKLC-ROUUACIJSA-N 367.449 2.202 0 40 FEAB Cc1nn(CCC(=O)O)c(C)c1NC(=O)Cc1ccc2c(c1)CCCO2 630331475 LGRLYUWZQQYOBF-UHFFFAOYSA-N 357.410 2.481 0 40 FEAB CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CCc1noc4ccccc14)C[C@@H]3C2 632329393 AWCNIIZAEYLUGJ-VCMWWZGJSA-N 362.451 2.055 0 40 FEAB COc1ccc(CN(CC(F)(F)F)C(=O)c2cc3n(n2)CCO3)cc1 643383433 KRKLZWBVSBHNKY-UHFFFAOYSA-N 355.316 2.489 0 40 FEAB Cc1c(F)cccc1C(=O)N[C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1C 1775996869 LIRNUJJLIQLUMW-KBXCAEBGSA-N 372.444 2.388 0 40 FEAB O=S1(=O)C[C@@H](N(C(=S)Nc2ccccc2)c2ccccc2)[C@@H](O)C1 575420049 DUWRTSHIPZYDDM-CVEARBPZSA-N 362.476 2.048 0 40 FEAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)[nH]1 585105151 ZQKUUPFGGWDLIN-RDJZCZTQSA-N 360.502 2.461 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C 585096391 LEPBKVGVOGLVBG-YRGRVCCFSA-N 358.467 2.434 0 40 FEAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)cc1 585284726 ZIOWZGQDNSKIOI-FPOVZHCZSA-N 363.498 2.257 0 40 FEAB CC(C)CCN1CCC[C@]2(CC(C(=O)NCCCn3ccnc3)=NO2)C1 585101336 YVKDNIQOOQVDBP-IBGZPJMESA-N 361.490 2.046 0 40 FEAB Cc1cc(NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)ncn1 599523359 IVIVGAPHGVLAOY-CQSZACIVSA-N 360.483 2.818 0 40 FEAB O=C(Nc1ccccc1O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58246715 PZWNBMLAJMNTGB-CQSZACIVSA-N 354.362 2.364 0 40 FEAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1 68113399 XXUXDRMCSDMQIM-MRXNPFEDSA-N 371.462 2.454 0 40 FEAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C2CC2)on1 83895647 XFBMJOZCWWDMIV-UHFFFAOYSA-N 371.393 2.428 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1Cl 12146697 PPSHQXRPVUQKSW-UHFFFAOYSA-N 374.784 2.386 0 40 FEAB CC1(C)C[C@H](CC(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)C(=O)O1 12220933 VGGJQMUCVCWUKX-OLZOCXBDSA-N 356.426 2.396 0 40 FEAB C[C@H](C(=O)OCCOc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12781145 GJUFUMATMXMCHO-MCIONIFRSA-N 361.369 2.087 0 40 FEAB COc1cc(NC(=S)NC(C)=O)ccc1N1C(=O)c2ccccc2C1=O 17075705 LAZZMJJDLBBBGQ-UHFFFAOYSA-N 369.402 2.329 0 40 FEAB CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)n[nH]1 19451881 RDTSOZJZWSAPLZ-HNNXBMFYSA-N 354.458 2.336 0 40 FEAB CCCC(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19501497 BEUSQHUBWTUOBR-OAQYLSRUSA-N 367.449 2.174 0 40 FEAB CNc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)ccn1 19662577 UVRRTJVQTXMEKE-SFHVURJKSA-N 354.454 2.235 0 40 FEAB CCn1ncnc1CNC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2 527892993 JHOVWVAETFALCS-WFASDCNBSA-N 369.473 2.357 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4ncccn4)CC3)cnc2c1 1889149501 KIZALLXXHBESFX-UHFFFAOYSA-N 351.410 2.112 0 40 FEAB Cc1nc2ccc(C(=O)NC[C@@]3(O)CCCN(c4ccccn4)C3)cc2[nH]1 2037849773 HUUCEXDOIQSCCM-FQEVSTJZSA-N 365.437 2.028 0 40 FEAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)cc1 3519784 XYCXRBZMBVPLAJ-UHFFFAOYSA-N 360.167 2.369 0 40 FEAB COc1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)cc1OC 4316808 GRLDMFLSEMEZQK-UHFFFAOYSA-N 361.423 2.007 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940763 MAMPVNULUPIQSJ-VIFPVBQESA-N 366.345 2.137 0 40 FEAB Cc1ccc(N2CCn3c2nn(Cc2ccccc2F)c(=O)c3=O)cc1 8849803 BJBMSLULYXQIQF-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccnc3)o2)cc1 10250712 DPZJVOCIRUAJTO-UHFFFAOYSA-N 372.406 2.243 0 40 FEAB O=C(CCC1CCCC1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29302105 GBBXWMWWSXVZHL-UHFFFAOYSA-N 368.481 2.309 0 40 FEAB O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccco1 801410 HQUJWNQYXFGHJX-UHFFFAOYSA-N 352.441 2.488 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 11865644 UTDOUDMTSCJWPW-DYZYQPBXSA-N 361.394 2.268 0 40 FEAB biogenic Cc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 302749 JZYMQYJOPYQMMG-GDNBJRDFSA-N 350.330 2.360 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCN1C(=O)c2ccccc2C1=O 32787005 XFGIPFNWDWZWHZ-UHFFFAOYSA-N 362.389 2.208 0 40 FEAB C[C@H]1c2ccccc2CN1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 4214668 BHUKYXOYJMLRAK-JTQLQIEISA-N 365.842 2.209 0 40 FEAB in-man COc1ccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7056857 NYXVKYHEIGZQQW-NSHDSACASA-N 367.361 2.116 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)o1 32940728 DTIKCZSYOWPBRD-UHFFFAOYSA-N 350.396 2.371 0 40 FEAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)c3ccc4c(c3)CCC4)nn12 21902362 RGRCZGKPLFEJMT-GFCCVEGCSA-N 350.378 2.350 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2cccc(C(C)=O)c2)nc1N 862078 RYJAEAFOPACONX-UHFFFAOYSA-N 374.422 2.169 0 40 FEAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 26753964 CGVJVTOFMZYATM-ZDUSSCGKSA-N 365.904 2.236 0 40 FEAB Cn1cncc1CN1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 108527490 BWDGALMPQORYEP-UHFFFAOYSA-N 360.502 2.051 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@H]2CC)c1=O 57477467 KBYIMEKZJVNOCW-OAHLLOKOSA-N 357.454 2.364 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)NCCc1cccs1 58277849 HXNDOOWXUHBJFR-UHFFFAOYSA-N 368.462 2.493 0 40 FEAB COCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 27937148 FUHIJIDRXFDEBO-UHFFFAOYSA-N 370.169 2.304 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)c1 28037549 FPZIUOPDTSRKHF-UHFFFAOYSA-N 359.407 2.170 0 40 FEAB CONC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 12910144 LDIFTPISVSKVCH-UHFFFAOYSA-N 360.366 2.013 0 40 FEAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 4029836 AQAFOSZWMMKKCF-WDEREUQCSA-N 359.378 2.028 0 40 FEAB biogenic COC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409205002 FFHCNJRWXKHTFY-BOPFTXTBSA-N 366.373 2.331 0 40 FEAB Cn1nnc2c(sc3nc(N4CCCC4)c4c(c32)CC(C)(C)OC4)c1=O 13691815 JGOASOMVGAOVOO-UHFFFAOYSA-N 371.466 2.390 0 40 FEAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1cc(Cl)cc(Cl)c1 13718872 BAVAZBBKCMBXSU-LBPRGKRZSA-N 371.224 2.349 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 65518049 VUSWHVPFDITZFM-HPZZRFSDSA-N 362.499 2.117 0 40 FEAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(-n2cnnn2)c1 14393064 CYFPLJXUVILSCT-UHFFFAOYSA-N 370.800 2.074 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(C=O)[C@H]2CO)ccc1O 14435298 PATMJUOZIPKVAS-FOIQADDNSA-N 356.374 2.451 0 40 FEAB biogenic O=C1CCCN1Cc1nnc(SCCCn2c(=O)[nH]c3ccccc32)o1 8271517 UCBYEONSUKZUNL-UHFFFAOYSA-N 373.438 2.017 0 40 FEAB CCOc1ccc(N2C(=O)C(Cl)=C(N3CCN(CC)CC3)C2=O)cc1 19793153 GGFAVYAAJVFOCN-UHFFFAOYSA-N 363.845 2.046 0 40 FEAB COc1ccc(OC[C@@H](O)CN(C)C(=O)[C@@H](C)Oc2ccccc2)cc1 9851468 QVYICAWZKWVOKO-CVEARBPZSA-N 359.422 2.361 0 40 FEAB Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCn2ncnc21 97013386 YBGACYSYTDPUBS-NSHDSACASA-N 371.260 2.162 0 40 FEAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc(=O)[nH]n2)CC1 72289200 BXEJJPOEJYUVQB-UHFFFAOYSA-N 368.224 2.431 0 40 FEAB CCCNC(=O)CN1CCN(Cc2ccccc2OCC(F)(F)F)CC1 72304833 DBKMSLGFBAVYMP-UHFFFAOYSA-N 373.419 2.272 0 40 FEAB C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc2c(c1)CC(=O)N2 75118074 RQUSDLQFLIAQPA-NSHDSACASA-N 357.435 2.240 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N(C)CC1(O)CCCC1 89775750 JTXFXJIWJCKHDN-MRXNPFEDSA-N 350.434 2.344 0 40 FEAB CCn1nnnc1SCC(=O)NCCSCc1ccc(Cl)cc1 9077066 MPNJQBWCRWZHCC-UHFFFAOYSA-N 371.919 2.488 0 40 FEAB Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 281401166 DPLVVXSWDYYGML-OAHLLOKOSA-N 363.439 2.107 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c(OC)c1 524735630 OPVCFXJEPVUSAI-INIZCTEOSA-N 372.421 2.443 0 40 FEAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218563277 MFRGDFDKSSEPGS-HLLBOEOZSA-N 355.525 2.459 0 40 FEAB CCc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccccc3)n2n1 38828708 JZZNLCZUTRNSOD-UHFFFAOYSA-N 362.437 2.230 0 40 FEAB CCOC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1 217495827 XWIXMOQQDMWOOI-GFCCVEGCSA-N 358.232 2.092 0 40 FEAB C[C@@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccc(Cl)cc1 32824308 SCFVLLYINAAZGM-LLVKDONJSA-N 370.858 2.447 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3ccccc23)C1 216406753 WZSFRMZFHVCKHT-HNNXBMFYSA-N 361.467 2.297 0 40 FEAB CC(C)NC(=O)Cn1c(SCC(=O)N2CCCC2)nc2ccccc21 35312099 SMDUOFDVTALBDE-UHFFFAOYSA-N 360.483 2.275 0 40 FEAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218563349 MFRGDFDKSSEPGS-ZOBUZTSGSA-N 355.525 2.459 0 40 FEAB CCc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223578362 ANQFFGSRRFXVBJ-UHFFFAOYSA-N 354.457 2.496 0 40 FEAB Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)s1 329535692 LNQTTXGBPDHSBJ-UHFFFAOYSA-N 362.476 2.273 0 40 FEAB COCCc1noc(CC2CCN(c3ccc4nccnc4n3)CC2)n1 528119550 PHYPLRGQWOWUMI-UHFFFAOYSA-N 354.414 2.056 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1cccnc1 49545831 PANMWPJKIMVKRT-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 40104243 UZZKROYDWZTZFE-VXGBXAGGSA-N 361.398 2.213 0 40 FEAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2)c1 47080991 MCZLPPKLYAARGL-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CCOc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222419307 RRZIXOJCZYCFLZ-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)o1 96060751 HESYQSLDROOTLD-MRXNPFEDSA-N 353.426 2.428 0 40 FEAB COc1cc(CO)c(Br)cc1OCC(=O)N1CCCCC1 95095169 JJZPYYCSCWSOMQ-UHFFFAOYSA-N 358.232 2.341 0 40 FEAB CN1CC[C@@H](COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2 248140021 PXKGXCKUFGEAJB-OAHLLOKOSA-N 357.433 2.128 0 40 FEAB O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1cccc2c1OCCO2 257307213 SXRLHLLWYZAFKP-CYBMUJFWSA-N 355.394 2.072 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257221128 DNPQIUKKXISDLC-SFHVURJKSA-N 354.454 2.230 0 40 FEAB CCN(Cc1cn(C)nn1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O 541045973 AXODQNXVGRDYRT-UHFFFAOYSA-N 368.441 2.492 0 40 FEAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 257250573 JNBPLZSWUJYKDW-HNNXBMFYSA-N 352.438 2.273 0 40 FEAB CNC(=O)c1sc2nccnc2c1C1CCN(C2CCN(C)CC2)CC1 257334896 YHUYGLFOLKVITP-UHFFFAOYSA-N 373.526 2.325 0 40 FEAB O=C(CCn1ccnc1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257231035 GEYMHEGZIPEBCL-ICSRJNTNSA-N 355.438 2.250 0 40 FEAB Cc1cc(F)c(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cc1F 278546397 KRCVMDFVTFPHFT-UHFFFAOYSA-N 354.382 2.464 0 40 FEAB CC[C@H](Cc1ccc(NS(=O)(=O)N2CCC(OC)CC2)cc1)C(=O)O 656512375 JQWWFZCQGMNNMD-CQSZACIVSA-N 370.471 2.107 0 40 FEAB CC(C)[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1cccnc1 684766258 OFTYGZOSJPCMIB-LJQANCHMSA-N 355.486 2.289 0 40 FEAB COc1cccc(N2CCC[C@H](NC(=O)N3CCOCC(F)(F)C3)C2)c1 642459866 QKUDZNGBHYOHPH-AWEZNQCLSA-N 369.412 2.341 0 40 FEAB Cc1ccc([C@H](CNC(=O)NCCOc2ccccc2)OCCO)cc1 96338409 OEPJZCKMJBWJGA-IBGZPJMESA-N 358.438 2.423 0 40 FEAB Cc1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)OCCO)cc1 96338226 HTZGERFNWWDFEZ-LJQANCHMSA-N 374.481 2.168 0 40 FEAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575422195 AIHHNAANLPPOBU-YPMHNXCESA-N 365.904 2.316 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 43268680 LPRQAWXOAYJEFI-UHFFFAOYSA-N 363.842 2.415 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)C[C@@H]2n2cc(C3CC3)nn2)cc1 685942246 IGHIBZZLCRDUFW-UXLLHSPISA-N 354.410 2.298 0 40 FEAB Cc1noc(C)c1[C@H](C)NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O 70936490 ZCMXIMBTAJNQEY-JTQLQIEISA-N 371.441 2.293 0 40 FEAB O=C(NCc1cccc(N2CCOCC2)n1)N1CCc2cc(F)c(F)cc21 547862217 FWVQEFLXOBMYNF-UHFFFAOYSA-N 374.391 2.469 0 40 FEAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCC(C)CC3)c(=O)n12 12181608 JUOZTEFPYABKCT-UHFFFAOYSA-N 368.437 2.225 0 40 FEAB Nc1nc(N2CCOCC2)nc2c1CCN(Cc1cccc(Cl)c1)C2 12338386 VCXCUHOUOKRXHC-UHFFFAOYSA-N 359.861 2.107 0 40 FEAB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccon3)cs2)no1 13996937 GKHQRZBFRCAWSV-UHFFFAOYSA-N 354.369 2.086 0 40 FEAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2CC(=O)N1CCC1 19017589 DEZFIRQXEBCWAP-KCZVDYSFSA-N 369.509 2.478 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(C3CCCCC3)C2)c2nccnc21 19021523 KERVPYRTLUWTHF-OAHLLOKOSA-N 356.474 2.084 0 40 FEAB CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19583114 ACCULMZEOJPXSG-MRXNPFEDSA-N 355.486 2.499 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1)[C@@H]1C[C@H]31 169678504 JDDJRVAFESPPHC-MUJBESKKSA-N 364.445 2.076 0 40 FEAB FC(F)(F)[C@H]1CCc2nnc(CNc3ncnc4c3CCCC4)n2C1 585149388 NCLSHOVDISLITJ-JTQLQIEISA-N 352.364 2.684 0 40 FEAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccc(O)nc3)C2)nn1 1888849387 GTALCRRNNHFLMX-ZDUSSCGKSA-N 356.426 2.416 0 40 FEAB Cc1csc(C(=O)N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)c1 1888857165 YYOHVUIIOARHPY-RYUDHWBXSA-N 362.430 2.208 0 40 FEAB CSc1nc(C)cc(N2CCN(c3nc(C)nc4c3CCC4)CC2)n1 1888860100 BVCPGCDDTZUSIA-UHFFFAOYSA-N 356.499 2.421 0 40 FEAB COc1ccc(Cl)c2sc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc12 1889125042 IKBXBHWJFZBMRC-GFCCVEGCSA-N 367.858 2.442 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSCc2ccccc2)C1=O 21458358 NXOCECUDQRNREG-LJQANCHMSA-N 369.446 2.418 0 40 FEAB O=C(Cc1ccccc1Cl)NCCCN1C(=O)NC2(CCCC2)C1=O 21560768 FYVFGVHIXBHGBL-UHFFFAOYSA-N 363.845 2.253 0 40 FEAB COc1cccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1137529488 KEVHDIATTVBEKK-UHFFFAOYSA-N 367.449 2.488 0 40 FEAB COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1Br 8131866 YWADWVDBEPDVLV-UHFFFAOYSA-N 350.234 2.251 0 40 FEAB COCCNC(=O)Cn1c(CO)cnc1SCc1ccc(Cl)cc1 9827564 KSTGGVMIPLXMAR-UHFFFAOYSA-N 369.874 2.084 0 40 FEAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)c1ccc(F)c(F)c1 11744530 YATZGWQNEAVVBR-UHFFFAOYSA-N 356.332 2.014 0 40 FEAB O=C1COc2ccccc2N1Cc1nc(-c2ccc3c(c2)OCO3)no1 23125956 KJZSGBMQXRCFFM-UHFFFAOYSA-N 351.318 2.391 0 40 FEAB CN([C@@H]1CCCN(Cc2csc(C3CC3)n2)C1)S(=O)(=O)C1CC1 2086889167 IUBYAXSUEZYKFY-CQSZACIVSA-N 355.529 2.409 0 40 FEAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCOCC1 72341745 SJYUPJKETXLNDO-HNNXBMFYSA-N 368.481 2.244 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 25105331 ADXPEABRPITELT-NRFANRHFSA-N 364.445 2.269 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](SC(=S)N3CCOCC3)C2=O)cc1C 113564298 RTOBIXROZFLOAQ-CQSZACIVSA-N 364.492 2.286 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2cnc3ccsc3c2=O)cc1F 40017803 VBEZZWSFZLSJRG-UHFFFAOYSA-N 361.398 2.264 0 40 FEAB Cc1noc(NC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)n1 40156215 VXMKYTPADHFVED-UHFFFAOYSA-N 358.305 2.170 0 40 FEAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 40159604 HWRCZSHNAXNNNW-OAHLLOKOSA-N 371.264 2.386 0 40 FEAB COCCCN1CNC2=N[C@H](c3ccco3)n3c(nc4ccccc43)N2C1 20101793 WVHGRJDUDPYAGZ-KRWDZBQOSA-N 366.425 2.209 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1 6818002 MVGAIHMNOMLJNX-UHFFFAOYSA-N 366.468 2.355 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7928978 KTJIXZKFBULCKK-AWEZNQCLSA-N 369.373 2.440 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1c(F)cccc1Cl 32902498 DVRSJNQPHXQDDY-UHFFFAOYSA-N 367.808 2.464 0 40 FEAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 32909851 WLOFCYDJRIQWAY-UHFFFAOYSA-N 355.413 2.490 0 40 FEAB Cc1cc(C)n(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 22006150 RIZPZDQRZCJHGK-UHFFFAOYSA-N 353.426 2.327 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 10515568 PDLFNAAGWUZFSG-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)s1 103444206 SEWUBUOBVLHPDM-SOUVJXGZSA-N 368.524 2.326 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc(NC(C)=O)cc3)ccc21 10855328 XQMGZSHZJCSQCF-UHFFFAOYSA-N 366.377 2.449 0 40 FEAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2c(C)nn(C)c2C)CC1=O 22837909 WAKFDSCOXVXTER-AWEZNQCLSA-N 356.426 2.427 0 40 FEAB CCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(C)=O)C2=O)cc1 842618 RJBUKEIOAJLJEU-QGZVFWFLSA-N 356.378 2.359 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c(C)c1 9926495 BFRPYSHRUYEBRF-HNNXBMFYSA-N 362.393 2.479 0 40 FEAB COc1ccc(CCC(=O)N(CC(=O)O)C2CC2)cc1Br 37589146 RJPKRDQJOHLANB-UHFFFAOYSA-N 356.216 2.466 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(O)cc1)CC(O)=N2 71279814 GPVAVIOBNBIZDJ-TZMCWYRMSA-N 361.423 2.380 0 40 FEAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 57521346 SLTPGUPGLHNUOT-UHFFFAOYSA-N 358.423 2.309 0 40 FEAB O=C(CCNc1ncccn1)NC[C@@H](O)c1ccccc1C(F)(F)F 58209878 ODZSCEKTSXVFRR-CYBMUJFWSA-N 354.332 2.147 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)C[C@H](C)CC3 2206026 SLLYULZDFWRAOQ-SNVBAGLBSA-N 372.498 2.064 0 40 FEAB CCN(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 58700373 MZOWKODHRVCLJC-UHFFFAOYSA-N 373.453 2.298 0 40 FEAB Cc1ccc2nc(CNc3cc(S(C)(=O)=O)ccc3C)cc(=O)n2c1 11037394 BELLRKPCHMHHQL-UHFFFAOYSA-N 357.435 2.327 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccccc1Cl 2438539 MQZDXXPAXQZQIW-ZDUSSCGKSA-N 360.797 2.215 0 40 FEAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCN1CCCC1=O 3454740 UUUUCFPBXAEJRE-GFCCVEGCSA-N 369.259 2.345 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cn3c(nnc3C(=O)NC3CCC3)C[C@H]2C1 306135721 OYUOHALIBIPHAG-KBPBESRZSA-N 371.510 2.235 0 40 FEAB CCC(=O)C[C@H](c1ccccc1)[C@@]1(Br)C(=O)NC(=O)N=C1O 18084296 ICDHOXGQORLMCX-LLVKDONJSA-N 367.199 2.479 0 40 FEAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1cccc(Cl)c1 13655432 LPTYAQGGAXBFHL-UHFFFAOYSA-N 371.784 2.162 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)NCCSc2ccc(C)cc2)C1=O 14141193 BTGJQOBGPUSOBO-UHFFFAOYSA-N 363.483 2.314 0 40 FEAB COc1ccc2c(CSc3nnnn3C[C@@H]3CCCO3)cc(=O)oc2c1 14121157 ONALXFZKKMMWHF-ZDUSSCGKSA-N 374.422 2.259 0 40 FEAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C 4592861 CZFRBNRMYDNMLM-QXGSTGNESA-N 369.417 2.060 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)n1 6593888 PXQYISCRZRZQCO-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 5522156 NPQOYUYOKARFRF-UHFFFAOYSA-N 365.499 2.286 0 40 FEAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(CCCN1CCOCC1)C3 6755483 UUXLNFAAWHNUAM-UHFFFAOYSA-N 370.449 2.156 0 40 FEAB Cc1cc(C)cc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1 8742699 YYWMRSXAUVUWBJ-UHFFFAOYSA-N 352.394 2.410 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@H]1c1cccc(F)c1 67091905 ZJLKZDRJOMMULK-LSDHHAIUSA-N 359.401 2.053 0 40 FEAB COCCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8765188 MUJZNGQTVHETEN-INIZCTEOSA-N 357.454 2.102 0 40 FEAB biogenic COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 7325533 UBPOYEJKBMDVQC-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1=O 15842689 HYQYDGWMLFPBNP-AWEZNQCLSA-N 372.446 2.271 0 40 FEAB O=C(Nc1ccccc1)C1CCN(C(=O)CCN2CCSC2=O)CC1 8935396 WKEGPCIWGVCSDE-UHFFFAOYSA-N 361.467 2.423 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 7825992 BKQSHQHZBMZBRQ-SFHVURJKSA-N 354.406 2.222 0 40 FEAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2nccs2)c1C 71327150 QGXIKXRYTUKZGS-UHFFFAOYSA-N 370.438 2.496 0 40 FEAB CCN(CC)C(=O)COC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 8150707 GEQFKQSSTMBERB-UHFFFAOYSA-N 359.426 2.198 0 40 FEAB NS(=O)(=O)c1ccc(-n2c(S)nnc2-c2cc(F)ccc2F)cc1 9418524 DKUNUBISAXJWBR-UHFFFAOYSA-N 368.390 2.149 0 40 FEAB Cc1cc(C(=O)NCCc2ccccc2F)cc(S(N)(=O)=O)c1C 9691590 UTFVLXIQHOOBIZ-UHFFFAOYSA-N 350.415 2.062 0 40 FEAB COc1c(N[C@@H](C)Cn2cc(Br)cn2)cccc1C(N)=O 97370225 OARMQEPDRLCFSS-VIFPVBQESA-N 353.220 2.254 0 40 FEAB CNC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 95395533 CINAIGDTCSVULJ-CQSZACIVSA-N 368.433 2.370 0 40 FEAB CC1(C)[C@]2(C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@@]1(C)C(=O)O2 20255910 MAMYMGDMOBSRLQ-LEWJYISDSA-N 356.466 2.453 0 40 FEAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1 408612486 WDZUWQUBOSETJJ-GOSISDBHSA-N 353.422 2.446 0 40 FEAB COCCn1c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c2cccnc21 72389482 SSUAXEKZFRJTLM-JKSUJKDBSA-N 372.469 2.026 0 40 FEAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 72327506 HWDUBZMWNHPPPV-NQYLQCIDSA-N 365.437 2.393 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218426920 DKHUZSXPMRLOQT-SJORKVTESA-N 364.898 2.492 0 40 FEAB COc1ccc2c(c1)N[C@H]([S@](=O)Cc1c(C)c(OC)c(C)c[n+]1[O-])N2 216647094 BBMDUQNTLINGKU-CRICUBBOSA-N 363.439 2.024 0 40 FEAB CCOc1ccccc1NC(=O)Cn1c(=O)c2nncn2c2ccccc21 64871396 KMRFNXGICIIOQS-UHFFFAOYSA-N 363.377 2.082 0 40 FEAB CN(C)Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)[nH]n1 72258559 ZJIQHTVSZYBYAJ-MAUKXSAKSA-N 373.432 2.159 0 40 FEAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N1CCNCC1 72216382 DLOLMXMYIHZNEE-UHFFFAOYSA-N 362.474 2.369 0 40 FEAB C[C@H](C(=O)NCc1ccncc1)n1nc(-c2ccc(F)cc2)ccc1=O 44392020 OUFLLCNXVWTJQA-CYBMUJFWSA-N 352.369 2.322 0 40 FEAB C[C@@H](CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 225136344 YJBBLLHFQBTTCX-INIZCTEOSA-N 360.479 2.368 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 96051511 HIUXDYUBKFQPPD-MRXNPFEDSA-N 354.410 2.193 0 40 FEAB Cc1ccc(N2CCO[C@@H]3CN(Cc4cccc(C)n4)CC[C@@H]3C2)nn1 96249793 VTGZNIZWPGNGIR-IEBWSBKVSA-N 353.470 2.216 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(C(=O)O)cc2)Oc2ccccc21 96111896 ZTEKBOFAUJMLSH-RDJZCZTQSA-N 352.390 2.383 0 40 FEAB biogenic,in-vitro Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4csc(C)n4)C[C@@H]23)n1 248001401 BYQHFNJHFBORNC-DZKIICNBSA-N 374.466 2.106 0 40 FEAB Cc1ncncc1C(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257265417 LYONWGQXPSZEEY-ICSRJNTNSA-N 353.422 2.375 0 40 FEAB CC(=O)N[C@H](c1nc(-c2ccc(N3CCOCC3)nc2)no1)C1CCCC1 585083980 KLOTYZLYEVXXCQ-KRWDZBQOSA-N 371.441 2.336 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)s1 257203341 APOWCNHDCIICMR-LLVKDONJSA-N 353.469 2.203 0 40 FEAB CN1CCC(N2CC[C@@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)CC1 257309219 TZZRXYVENIIVRJ-CYBMUJFWSA-N 373.526 2.277 0 40 FEAB COc1ccc(CCC(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)cc1 85436764 JEKRZILGULAQHP-GOSISDBHSA-N 358.438 2.099 0 40 FEAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 262404878 IBPQOUGTYYOJNQ-MRXNPFEDSA-N 361.442 2.079 0 40 FEAB Cc1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)oc2ccc(F)cc12 588699545 AMBIVCWKVTULAW-MRXNPFEDSA-N 373.428 2.435 0 40 FEAB CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)[C@H]1COc2ccccc2C1 281073904 AGDNDQMZOCNMSQ-IKGGRYGDSA-N 370.428 2.103 0 40 FEAB O=C1C[C@@H](C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CN1Cc1ccco1 614844367 RJGJQSKPZYYRKR-TZMCWYRMSA-N 374.359 2.198 0 40 FEAB Cn1nc(C(=O)O)cc1C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 630215486 NCQROSWNYHUJNY-JKSUJKDBSA-N 357.410 2.232 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC12CC=CC2 645494130 VRZAWSYJLFHZKY-PMPSAXMXSA-N 369.531 2.091 0 40 FEAB O=C(NCCn1cccn1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 655548081 CNZKKZABWJNNDF-ZDUSSCGKSA-N 360.380 2.274 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)c1ccccc1N1CCC(=O)NC1=O 67965943 CJGZBEKVCSGRKS-CYBMUJFWSA-N 352.394 2.151 0 40 FEAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cccc5[nH]ncc45)C3)ccc2n1 681952210 KAOWCWDDTYOELL-CYBMUJFWSA-N 361.409 2.241 0 40 FEAB CCC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44096884 BLOJUXAFKPOOAW-UHFFFAOYSA-N 355.320 2.209 0 40 FEAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(c2nnc3n2CCC3)CC1 55289260 BNEBPNFNXNMNCN-KRWDZBQOSA-N 365.437 2.448 0 40 FEAB COc1ccc(CN2CCN(c3ccnc(C)n3)CC2)c(OC)c1OC 174674249 PPADRMHXEXKFOP-UHFFFAOYSA-N 358.442 2.133 0 40 FEAB CCn1nc(C(=O)NCCc2ccc(OC)cc2)c2ccccc2c1=O 5673474 XKYRGMLDVHSZQB-UHFFFAOYSA-N 351.406 2.398 0 40 FEAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)C1CCOCC1)c1ccccc1O2 12086467 JFZPKMGHEOMHDB-UTKZUKDTSA-N 372.465 2.434 0 40 FEAB CC(C)n1ncc2cc(C(=O)NCc3nnc4n3CCCCC4)cnc21 12782180 NOBOKJYNCIZMJV-UHFFFAOYSA-N 353.430 2.260 0 40 FEAB CCC(C)(C)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 18940196 UUSKEZMCROSDAR-UHFFFAOYSA-N 353.488 2.188 0 40 FEAB O=C(CN1CCC(c2nnc(-c3cccnc3)o2)CC1)N1CCCCC1 19341437 CACXZYQONJUOPS-UHFFFAOYSA-N 355.442 2.324 0 40 FEAB CC(C)(C)C(=O)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19365928 QZUIQRACPQHJJM-OALUTQOASA-N 360.498 2.376 0 40 FEAB in-vitro Cc1nn(C)cc1-c1csc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 19659708 ZQBNNENDXZMHEB-LLVKDONJSA-N 361.471 2.438 0 40 FEAB CNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935743 PWCQYQQVEBKCEQ-QGZVFWFLSA-N 362.451 2.193 0 40 FEAB COCc1nsc(N2CCN(c3nc(SC)nc(C)c3C)CC2)n1 1888863802 VPDQMWYQWURKRT-UHFFFAOYSA-N 366.516 2.140 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)cc1 1889152018 QPMWJLDKZZEOBY-GOSISDBHSA-N 367.453 2.484 0 40 FEAB O=C(NCc1ccco1)C(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 253404538 RCZPORCDDWEFPJ-KRWDZBQOSA-N 370.430 2.355 0 40 FEAB Cc1nc(C(=O)N2CCOC[C@@]3(C[C@@H](CN(C)C(C)C)CO3)C2)cs1 1565548009 WDXHSXYIIFMXHX-MAUKXSAKSA-N 367.515 2.039 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccncc2)C1 2055754606 HYYTZYORGMYQFS-HXUWFJFHSA-N 352.438 2.257 0 40 FEAB Cn1c(N2CCC[C@H](COc3ncccn3)C2)nc2ccccc2c1=O 1775970101 BEISYLVLIACVNH-AWEZNQCLSA-N 351.410 2.019 0 40 FEAB O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)NC1CCCCC1 44454319 MUNDVVOPFQQTKF-UHFFFAOYSA-N 364.515 2.138 0 40 FEAB O=C(CN1CCN(c2ccc(C3CC3)nn2)CC1)Nc1ccc(F)cc1F 575619836 MNHGETQYBLHTEH-UHFFFAOYSA-N 373.407 2.393 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(F)cc2)o1 4329680 BXFDVBAIEDLIJT-UHFFFAOYSA-N 366.308 2.110 0 40 FEAB O=C(c1ccccc1F)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 40062598 VFUGXYYLAUPBFG-GOSISDBHSA-N 372.440 2.161 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)C2 102190690 ZBHIICDQBSVTEY-QSZISKGPSA-N 369.465 2.411 0 40 FEAB O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccccc2)C1 32732053 YTMBOOYJFKAMDL-GOSISDBHSA-N 371.868 2.461 0 40 FEAB Cc1c(C(=O)O[C@@H]2CCOC2=O)cnn1-c1ccc(C(F)(F)F)cn1 32899343 QALHASZXHUMPPD-LLVKDONJSA-N 355.272 2.067 0 40 FEAB CCc1nnc(NC(=O)CSc2nnnn2C2CCCCC2)s1 6144962 NUXMRHQCCFZXTL-UHFFFAOYSA-N 353.477 2.323 0 40 FEAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccccc1F 6544988 YMGJYCQNKBWFAK-LBPRGKRZSA-N 369.352 2.106 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)O)c2)c1 6680378 DCPZSQBYUUMPJU-UHFFFAOYSA-N 368.436 2.339 0 40 FEAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 6971033 CNEAHEPGTOUCSG-RVDMUPIBSA-N 366.377 2.331 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 6996624 ZAKLXWUZNGZXNY-UHFFFAOYSA-N 374.875 2.361 0 40 FEAB C[C@@H](NC(=O)CSc1nc(N)cc(N)n1)c1ccc2c(c1)CCCC2 7371795 FYNNVKGIGZDDKR-LLVKDONJSA-N 357.483 2.489 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 7709029 PWVRTHBSWXYEKY-UHFFFAOYSA-N 355.393 2.342 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1 52782015 XROZCPBDABCJPS-AWEZNQCLSA-N 368.480 2.116 0 40 FEAB COc1cc2nc(CSc3nc(C(C)C)n[nH]3)[nH]c(=O)c2cc1OC 9836439 RZIVQBQEONJMSV-UHFFFAOYSA-N 361.427 2.474 0 40 FEAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(F)cc1 100127889 FVLLMPZGZYJEKE-HZPDHXFCSA-N 358.417 2.012 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 41782131 RWPKOXXLZXJXRV-NHYWBVRUSA-N 360.426 2.328 0 40 FEAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(F)ccc1-n1cnnn1 12388828 WXRVGAYBDXNEFV-UHFFFAOYSA-N 351.297 2.160 0 40 FEAB c1csc(CCN2CN(n3cnnc3)c3nc4ccccc4n3C2)c1 20637339 GRXGZICUMNOIEG-UHFFFAOYSA-N 351.439 2.432 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1N1CCCC1 22646200 BJPDTVRHQRSFOS-UHFFFAOYSA-N 363.421 2.421 0 40 FEAB COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)NC2=S)cc1 100745210 FQOALDFQVGECHF-PFONDFGASA-N 351.387 2.280 0 40 FEAB CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 57669947 QAAYTDSCQCTLLG-INIZCTEOSA-N 374.464 2.244 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCC(=O)N2 22186398 PKZMGWGIQAZHJS-UHFFFAOYSA-N 368.418 2.142 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccccc1S(C)(=O)=O 24051401 OIIUVYGXAGCSNA-ZDUSSCGKSA-N 353.465 2.438 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)o1 1285003 LHPWMZFYSSGMDI-UHFFFAOYSA-N 364.151 2.495 0 40 FEAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 12599773 PTMSWXCZBPSRCR-ZDUSSCGKSA-N 360.435 2.174 0 40 FEAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCC(O)CC3)c(O)n2n1 22627636 AVZRZTFMDFNSNH-CQSZACIVSA-N 362.430 2.490 0 40 FEAB O=C1NCc2cccc(NS(=O)(=O)c3ccccc3Br)c21 25044442 LKLADVVLXQUYDZ-UHFFFAOYSA-N 367.224 2.493 0 40 FEAB Cc1c([C@@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cnn1C 25001383 CLRIEZVYDPQPFG-LLVKDONJSA-N 365.393 2.062 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)cc1 58182983 FWPALQMVNFUMTP-UHFFFAOYSA-N 354.453 2.236 0 40 FEAB COc1ccccc1C(C)(C)CNC(=O)NCCNC(=O)c1ccco1 58209769 GGWVCIMLCBBHHQ-UHFFFAOYSA-N 359.426 2.295 0 40 FEAB O=C(NCc1cccc(NC(=O)C2CC2)c1)C1CCN(C(=O)C2CC2)CC1 10761502 NYYNJZRGCAVFDJ-UHFFFAOYSA-N 369.465 2.300 0 40 FEAB CON(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 11594812 AJTRVQAFWBJEAA-UHFFFAOYSA-N 355.232 2.321 0 40 FEAB COC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12770505 FJCNWCLUKXUJIQ-LBPRGKRZSA-N 358.394 2.231 0 40 FEAB CNC(=O)C1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 37979441 KHEMLKOFQPTAOE-UHFFFAOYSA-N 355.232 2.056 0 40 FEAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1Cl 48356294 BQCLDOVHNCFPQR-UHFFFAOYSA-N 358.778 2.387 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 3433506 BLAGGDXSMMNELG-UHFFFAOYSA-N 363.373 2.047 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3437169 LQGFOGLKGXUEBY-UHFFFAOYSA-N 372.402 2.116 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c1 12905662 PESDWNPSKIJIBZ-UHFFFAOYSA-N 371.412 2.351 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c2c(C)noc2C)cc1 13040528 QJNRUYSPXXVWRX-CQSZACIVSA-N 373.409 2.242 0 40 FEAB O=C(NC1CCN(Cn2c(=O)oc3ccccc32)CC1)c1ccccc1 13007996 LUERHDVWBYFDPE-UHFFFAOYSA-N 351.406 2.446 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 5013548 QAAGXIRWUHZWNQ-UHFFFAOYSA-N 351.815 2.331 0 40 FEAB CC(C)NC(=O)N[C@@H]1CCN(CC2CC2)S(=O)(=O)c2ccccc21 306139363 SVJUCNXZNXDDMF-OAHLLOKOSA-N 351.472 2.240 0 40 FEAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 13997715 VMUSLPSKIXJGJC-LBPRGKRZSA-N 355.394 2.292 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 14229172 UUBXZWUIOILUSL-AWEZNQCLSA-N 356.422 2.310 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 6542427 FIAVRILQQATBNS-UHFFFAOYSA-N 355.213 2.500 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 6638309 PUUZTYITPAQEOY-HOCLYGCPSA-N 366.483 2.016 0 40 FEAB Nc1nc(COC(=O)c2ccc(F)cc2N)nc(Nc2ccc(F)cc2)n1 8734478 ATSWEOUGHKMPKN-UHFFFAOYSA-N 372.335 2.415 0 40 FEAB CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 8705954 QKNFTOAISGAFOX-UHFFFAOYSA-N 355.325 2.484 0 40 FEAB COc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)OCO2 408960131 CDKUCNPUUARTMG-APSNUPSMSA-N 352.371 2.194 0 40 FEAB CN1CCN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 19868091 AYPAXEYLSMXMBE-UHFFFAOYSA-N 373.522 2.240 0 40 FEAB c1nc(N2CCn3nc(CN4CCSCC4)cc3C2)c2ccsc2n1 72410196 UJQIMTJMCPZXJM-UHFFFAOYSA-N 372.523 2.457 0 40 FEAB O=C(/C=C/c1ccco1)NCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 95406596 MXINSKKRZKETEV-BQYQJAHWSA-N 370.409 2.255 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1C 9974567 HKTMRXIUTXNUJA-OAHLLOKOSA-N 366.483 2.027 0 40 FEAB COc1ccc([C@H](CNCc2c(N)ncnc2OC)N2CCCC2)cc1 75093147 MAMFNVCZNPTTNZ-KRWDZBQOSA-N 357.458 2.003 0 40 FEAB CC(=O)[C@H]1CC(C(=O)/N=c2\cc[nH]c3ccncc23)=NN1c1ccccc1 75105566 BUDVMKKZQHTLTI-LJQANCHMSA-N 359.389 2.214 0 40 FEAB Cc1ccc(OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nc1 75077119 QYCGOKNKPZBMMT-MRXNPFEDSA-N 359.470 2.266 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217651425 ADSOKEOMCNNZFH-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)o1 31549827 WRGUWZJFHDMQIF-UHFFFAOYSA-N 366.395 2.337 0 40 FEAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccco3)c2)n1 71768566 SKHUPFUYEHRLMS-UHFFFAOYSA-N 364.365 2.403 0 40 FEAB COc1cc(Br)c(CNC(=O)C(C)(C)C(=O)O)cc1OC 566289576 VWQAQAHDHRFRPB-UHFFFAOYSA-N 360.204 2.193 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c(C)c1C 225282951 RJYWFFZPZBANML-AWEZNQCLSA-N 363.435 2.430 0 40 FEAB COc1ccc(C)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225165394 LGDRFBLNCDJDFL-INIZCTEOSA-N 363.435 2.320 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@@H](CO)c2ccccc21 576937293 CBEOZQQRWSUHQQ-JTQLQIEISA-N 353.421 2.040 0 40 FEAB CCN1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@@H](COC)C1=O 96208191 ARGAWJVAENVIIC-SFHVURJKSA-N 358.482 2.271 0 40 FEAB CCCc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)no1 257223273 DWPMWQRPNQMYBZ-LBPRGKRZSA-N 359.430 2.072 0 40 FEAB O=C(N1CC(O)C1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257326280 WWPCDPKDPGJGNB-UHFFFAOYSA-N 352.434 2.291 0 40 FEAB O=C([C@H]1CCCS1(=O)=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 653509644 QAKHLFFHXJBARL-QGZVFWFLSA-N 365.451 2.264 0 40 FEAB CC(C)(C)OC(=O)CN1CC[C@H](N2CCC[C@H](c3ccncc3)C2)C1=O 595487281 FWCXEEWMQVATGK-IRXDYDNUSA-N 359.470 2.204 0 40 FEAB C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CO1 668291985 ZVCFKVYDHAKGDB-CMPLNLGQSA-N 356.216 2.287 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2=Cc3cc(F)ccc3OC2)C1 1775959293 TWVDTUQGHMMCLI-LSDHHAIUSA-N 359.357 2.282 0 40 FEAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CS2)C1 575402608 CMMUAEYBXPFBEG-OAHLLOKOSA-N 356.513 2.206 0 40 FEAB Cc1noc(CNC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 590870809 XDOKLPKFBAPXLM-UHFFFAOYSA-N 358.398 2.418 0 40 FEAB C[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)Cn1cccn1 50150235 JZQCXGNKZRANPI-INIZCTEOSA-N 352.442 2.263 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@H](C2CCOCC2)C1 579721712 BMONNEOLOQLPMS-KDOFPFPSSA-N 360.454 2.138 0 40 FEAB COc1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1OC 12114452 MNHZHMGLCVNEDV-UHFFFAOYSA-N 356.422 2.152 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NC1CCCCCC1 12146316 FRDQDQUFZIQOFV-GOSISDBHSA-N 369.465 2.477 0 40 FEAB COc1ccc([C@@H](NC(=O)[C@]2(C)CCCO2)c2nccn2C)cc1OC 12147208 WZNNEEYECHUGEG-APWZRJJASA-N 359.426 2.212 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 12365113 PFBBWXZJPARWSB-CQSZACIVSA-N 353.401 2.451 0 40 FEAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(N)=O)CC2)c1=S 13063485 ALQFDXOGHSBRJZ-UHFFFAOYSA-N 365.890 2.426 0 40 FEAB O=C(c1ccc(CN2CCCCC2)o1)N1CCn2c(nnc2C2CC2)C1 13266420 VMVMSXOWFOBYBL-UHFFFAOYSA-N 355.442 2.390 0 40 FEAB COc1cc(C)c(NC(=O)CN2C(=O)COc3ccccc32)cc1OC 15948781 DMLLJTLQJHXCHU-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB O=C(COc1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19335753 UMWRSXQEYJCJPJ-QGZVFWFLSA-N 356.401 2.004 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(Cc2cnn(CC)c2)CC1 19523038 YNNSTYVBDDOEES-UHFFFAOYSA-N 355.486 2.222 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3ccc(F)cc3)n2CC1 19710714 OALOIKZUUIWMBI-KRWDZBQOSA-N 357.433 2.159 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715438 OMTBZVDVFDKUIJ-LBPRGKRZSA-N 372.404 2.287 0 40 FEAB NS(=O)(=O)c1ccc(OCCSc2ncnc3ccccc23)cc1 7151881 XGQXUYDHOSZEPM-UHFFFAOYSA-N 361.448 2.448 0 40 FEAB COc1cccc(CC(=O)NC2CN(c3ncnc4ccsc34)C2)c1 1888890793 HQLOWEDUTVAOGS-UHFFFAOYSA-N 354.435 2.247 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cncnc3)CC2)CN1c1ccccc1 2037841167 YXOBRKVNVOCPCX-HXUWFJFHSA-N 352.438 2.265 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(CC)nc1)CC2 1614933387 HOOYWYZSUWIQPQ-SFHVURJKSA-N 373.497 2.381 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)cn1 1147161832 CQMKBFAFWVGPHB-RBUKOAKNSA-N 365.433 2.003 0 40 FEAB O=C(CC1(O)CCC1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542549 NDKDWKBZAQEUME-QUCCMNQESA-N 374.481 2.301 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1OC 712780 YTLUPIQXIOUUPD-MHGIMSBQSA-N 353.418 2.444 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Cc3cccc(C)c3)CC2=O)cc1OC 5221734 WTHJLRGOAVGHJR-MRXNPFEDSA-N 368.433 2.476 0 40 FEAB O=C(Cc1ccc(F)cc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251288 QVXZMBJHGFIXHN-UHFFFAOYSA-N 363.352 2.034 0 40 FEAB Cc1nc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cs1 2055781489 LHPHHVRFBKPSTN-UHFFFAOYSA-N 359.499 2.166 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCC[C@H](COc2ncccn2)C1 1775968452 NWMBMSQKBZISBJ-LBPRGKRZSA-N 355.423 2.413 0 40 FEAB CN([C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)S(=O)(=O)C1CC1 2086889297 DPBLEINHWCSXOY-GFCCVEGCSA-N 363.405 2.493 0 40 FEAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5258021 LFZMBOGJMASSJE-QGZVFWFLSA-N 357.410 2.184 0 40 FEAB Cc1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1 10444460 GJJRABMBJUGEHW-UHFFFAOYSA-N 352.725 2.319 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(N2CCCC2=O)c1 40120829 ZOYCLUUGLGWMDU-UHFFFAOYSA-N 364.467 2.499 0 40 FEAB Cc1cc(C)cc(N2C(=O)C[C@H](Sc3nc(O)c(C)c(O)n3)C2=O)c1 100123117 CSAOZFWQZBMXFJ-LBPRGKRZSA-N 359.407 2.237 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C 30848288 BGIVEJUSSCUYGH-INIZCTEOSA-N 360.458 2.291 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1OC 917802 YNASCEKKRZQZHJ-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 32333267 UQOXYRGAOSYWDT-UHFFFAOYSA-N 365.890 2.134 0 40 FEAB O=C(c1ccccc1)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 29829143 FUCSPYCOOACKAO-UHFFFAOYSA-N 362.437 2.010 0 40 FEAB CC[C@@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccccc1 32850466 ADNVCSMUNJRCNQ-CQSZACIVSA-N 350.440 2.184 0 40 FEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccc(C(N)=O)cc1 32837590 FDUUUQWUWLBUMT-LJQANCHMSA-N 368.433 2.212 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)n1 6593909 QQQNRUFAFJFYSP-LLVKDONJSA-N 362.459 2.387 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccncc1)c1ccc(F)cc1 7504821 WIPUJPDVQYBHTD-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccccc2OCc2csc(C)n2)CC1 32901440 KBNWAMZXCWLXHR-UHFFFAOYSA-N 359.451 2.335 0 40 FEAB Cc1nc(C2=C(O)CN(c3ccc(S(N)(=O)=O)cc3)C2=N)sc1C 102718089 LAHOKHAAUVKPPO-UHFFFAOYSA-N 364.452 2.174 0 40 FEAB COc1ccc(CCNC(=O)[C@H](C)Oc2cc(C)ccc2C(N)=O)cc1 22194443 HZMPLGLWLFIOGK-AWEZNQCLSA-N 356.422 2.229 0 40 FEAB COC(=O)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 12324707 XXUZMMDWLHNIBK-UHFFFAOYSA-N 365.345 2.459 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2nncn2C)c1 22556612 QWZMHUMZKIHCSI-QWRGUYRKSA-N 350.444 2.190 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccccc2)CC1=O 818399 OMAAWKCJGAOBTI-OAHLLOKOSA-N 353.374 2.474 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1F 23796867 GBMQNFIPZHLGPL-UHFFFAOYSA-N 355.369 2.203 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCCOc1ccc2c(c1)CCC2 56010129 ZUEBKVAHBPWNKY-UHFFFAOYSA-N 365.495 2.418 0 40 FEAB Cc1cccc(CN2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c1 21933125 LCZIRSDAFZVLIY-UHFFFAOYSA-N 355.482 2.389 0 40 FEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 57173573 VJMDCLBJGAWHEJ-GFCCVEGCSA-N 371.478 2.415 0 40 FEAB CCc1noc(C)c1C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 57294694 YADBBYHGVCXQJV-JTQLQIEISA-N 351.428 2.408 0 40 FEAB CCc1cc2c(N3CCCN(CC(=O)N4CCCC4)CC3)ncnc2s1 26705470 DNMFXCFQKVVALR-UHFFFAOYSA-N 373.526 2.388 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 100466735 BOLBRZWHNIBFRJ-AVDAVMGUSA-N 373.412 2.226 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1c(C)nc(C)[nH]c1=O 57810392 YBOSGJNSIMSQEX-UHFFFAOYSA-N 357.410 2.097 0 40 FEAB CC(C)n1ncc2cc(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)cnc21 25250101 RSFXEZFSYBCENK-UHFFFAOYSA-N 373.438 2.053 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccnc(Cl)c3)CC2)C1 58065969 XEFGJZBYLIYJSZ-HZPDHXFCSA-N 364.921 2.357 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 27836947 ZXOHFTXVMZZMCQ-NEPJUHHUSA-N 364.389 2.446 0 40 FEAB CCn1c(SCC(=O)Nc2nnc([C@@H]3CCCO3)o2)nnc1C1CC1 58323395 KJAWRKXURIKJKH-JTQLQIEISA-N 364.431 2.141 0 40 FEAB COc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1OC 3385421 OBRPXPZXAVOVTH-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB O=C(Nc1cccc2ccccc12)N1CCN(C(=O)N2CCOCC2)CC1 11008184 DPLWSBXBFNSFFQ-UHFFFAOYSA-N 368.437 2.442 0 40 FEAB COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(OC)c(OC)c1)C(=O)N2 2440472 HIJAZIUDZVFUKZ-IBGZPJMESA-N 357.362 2.125 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H]1CC=CCC1 12850015 QUEFYIDBPKIXAG-LBPRGKRZSA-N 350.440 2.431 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCc3ccccc3C2)c1 3461889 WTLOBIZCYXHMQI-UHFFFAOYSA-N 352.390 2.387 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2cccs2)c1C 3590678 YTGFFUCSLXQCKW-UHFFFAOYSA-N 364.423 2.343 0 40 FEAB NC(=O)c1ccc(CN(CC(=O)NCCc2ccc(F)cc2)C2CC2)cc1 13006556 YWEFYXPLBMVHKH-UHFFFAOYSA-N 369.440 2.248 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1 13005431 NPAOQBVGDVUWHZ-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-n4ccnc4)nc3)cc12 25083403 JQQDVFQOISQLCQ-UHFFFAOYSA-N 362.349 2.183 0 40 FEAB COCC(=O)N1CCCCC[C@H]1C1CCN(c2nccc(OC)n2)CC1 69952105 MAISJNIHPHOCDL-INIZCTEOSA-N 362.474 2.119 0 40 FEAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(N2CCOCC2)cc1 6362045 KEOKUJYRMABYAR-CQSZACIVSA-N 359.451 2.276 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NCCOc3ccccc3F)cnc12 14125316 FQONPKKTSYQXLG-UHFFFAOYSA-N 355.369 2.039 0 40 FEAB CCOCCCNC(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1 4552739 GMTWUFQVWKQPMH-UHFFFAOYSA-N 364.486 2.459 0 40 FEAB Cc1ccc([C@H](O)CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 65608118 QLNDXJLIGBNQFB-ZWKOTPCHSA-N 359.470 2.072 0 40 FEAB COCCN1C(=O)S/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 4682175 BDQUSEAZZJDJBE-RIYZIHGNSA-N 360.391 2.409 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 4776460 YBWIBLWLVGMVRP-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCOCC1 8938089 RDVQDFJGKGLACT-GFCCVEGCSA-N 359.455 2.014 0 40 FEAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C1CC1 6993314 SGLMOKDPNMMSRX-UHFFFAOYSA-N 357.483 2.362 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C 7247703 XJHUNNWDYPKUDX-UHFFFAOYSA-N 351.428 2.167 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)C1 7780990 JXSQOONMPYBJJC-CHWSQXEVSA-N 358.891 2.465 0 40 FEAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 408592556 MNKJFDWICJAQST-RIYZIHGNSA-N 359.769 2.416 0 40 FEAB CCn1nnnc1SCC(=O)NCCSc1ccc(Cl)cc1 9762787 HQFDMYZEQDJYKD-UHFFFAOYSA-N 357.892 2.347 0 40 FEAB C[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)CN1CCCCC1 72309192 KOOOETWQTSPFFB-HNNXBMFYSA-N 361.490 2.175 0 40 FEAB Cc1nc2cc([C@@H]3CCNC3)nn2c(C)c1CCC(=O)NC1CCCC1 72370831 GFBQKIMTDXKKQM-OAHLLOKOSA-N 355.486 2.414 0 40 FEAB CN1C[C@@H](C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)CC1=O 72401563 ZBUMFDTWHCMSSL-NSHDSACASA-N 355.350 2.019 0 40 FEAB C[C@H]1OCC[C@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br 95449006 FROLOMDGRUOZIC-NOZJJQNGSA-N 373.222 2.002 0 40 FEAB Cn1cc(CC(=O)N2CCC[C@H](n3cc(C(=O)O)cn3)C2)c2ccccc21 95453983 OCJGYYLXWLYFGQ-INIZCTEOSA-N 366.421 2.479 0 40 FEAB CC(C)[C@@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2C[C@H]1C 95948019 QDEHBUDTBRUUFS-MLGOLLRUSA-N 354.410 2.218 0 40 FEAB O=C1[C@H](N2CCN(c3ccccc3Cl)CC2)CCN1C1CCOCC1 75092122 ZHYSUKAVNNVOSU-GOSISDBHSA-N 363.889 2.242 0 40 FEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(F)cc1 20614101 BCLDPBDPHFYFMB-KRWDZBQOSA-N 372.396 2.358 0 40 FEAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nccc(O)n3)ccc21 408543511 POSSUNQABRWIPG-UHFFFAOYSA-N 373.438 2.069 0 40 FEAB O=S1(=O)Cc2ccc(cc2)CS(=O)(=O)Cc2cc(F)cc(c2)C1 4568764 ZYKVRFMMRAPHAZ-UHFFFAOYSA-N 354.424 2.369 0 40 FEAB CCc1nnc(NC(=O)CS(=O)(=O)CCCc2ccccc2)s1 33244982 AKOGCIKBDSYMBS-UHFFFAOYSA-N 353.469 2.087 0 40 FEAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1cccc(F)c1)C2 96218567 ODNZFMMQNZRVJR-OXJNMPFZSA-N 355.413 2.238 0 40 FEAB Cc1nc(CN2CCN(C)C3(CCN(Cc4ccco4)CC3)C2=O)cs1 96050101 GBELHPPJDBXDJU-UHFFFAOYSA-N 374.510 2.353 0 40 FEAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cc4C)C[C@H]3O2)o1 96209620 KNARJKLSGBFIGG-BHYGNILZSA-N 359.401 2.227 0 40 FEAB CCN1C(=O)C[C@@H](c2cccnc2)C12CCN(c1ncc(F)cn1)CC2 96199750 VXROTGVNFFRHKU-INIZCTEOSA-N 355.417 2.386 0 40 FEAB O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 96602227 LCZXICCWOCJATN-NVXWUHKLSA-N 369.373 2.047 0 40 FEAB COCCN1CCC2(CC1)C[C@H](NC(=O)c1c[nH]cn1)c1ccccc1O2 96079794 XBQAYHLURSIAMX-INIZCTEOSA-N 370.453 2.144 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)CN1c1ncccn1 96051819 AQUUGNSYEHATIW-QGZVFWFLSA-N 367.453 2.019 0 40 FEAB COc1cc(CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)ccn1 535276793 WNQSGSJADRROAS-OAHLLOKOSA-N 372.444 2.374 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 579706163 ZQNACOQJZOTSIQ-LJQANCHMSA-N 373.430 2.346 0 40 FEAB O=C(O)[C@H]1[C@@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 98089163 NQSYYVTUCHIRTM-ZWKOTPCHSA-N 353.374 2.455 0 40 FEAB O=C(c1ccccn1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050641 ZHOBIBXLLNIDFM-HXUWFJFHSA-N 353.397 2.486 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)CO)cc1 242614931 PMOJBOQRGQXDHQ-BRWVUGGUSA-N 351.855 2.278 0 40 FEAB CNC(=O)[C@@H]1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 257254022 KBGLZRLHBSTUKK-QGZVFWFLSA-N 366.465 2.018 0 40 FEAB O=C(NCCO)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257207910 BJWZGEYHZLDSMZ-UHFFFAOYSA-N 358.413 2.336 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)nnn1-c1ccc2ncccc2c1 621689172 DLTBHOKXARLPMP-YWZLYKJASA-N 362.437 2.077 0 40 FEAB CN(C)CC[C@@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 653090088 DWBKQYHSWZACSU-CQSZACIVSA-N 355.364 2.109 0 40 FEAB O=C(O)CCC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC2(F)F)cc1 672775120 SLUWJBKPQWWHBP-ZDUSSCGKSA-N 361.366 2.200 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)o1 585106058 ILJLGLITBJYOMX-SJORKVTESA-N 373.497 2.287 0 40 FEAB CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1ccoc1)CC2 585105362 VBTBVHRTEGFMIC-KRWDZBQOSA-N 350.459 2.146 0 40 FEAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 585103826 DCSRGOWUBDQILD-OAHLLOKOSA-N 369.483 2.292 0 40 FEAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CC[C@@H](O)C1)C2 585104802 SXCSDAYVAQCTNP-RTBURBONSA-N 372.509 2.327 0 40 FEAB O=C1CO[C@@]2(CCCN(CC3CCOCC3)C2)CN1c1ccc(F)cc1 1615119598 IXSWGUWCXAVNSQ-HXUWFJFHSA-N 362.445 2.450 0 40 FEAB CCN1OC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1=O 1549161807 LOMXHLMJIBNVQD-UHFFFAOYSA-N 358.847 2.047 0 40 FEAB Cc1ccc(C(=O)NCc2ccncc2)cc1N1CCCCS1(=O)=O 5381194 UXXODKITWLHZDX-UHFFFAOYSA-N 359.451 2.250 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 5638131 UMQKUUWRPIFVFF-UHFFFAOYSA-N 368.480 2.193 0 40 FEAB CCCNC(=O)CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184544 RNWCMUXPEFYFQV-CYBMUJFWSA-N 351.834 2.411 0 40 FEAB CCC(=O)C[C@@H](c1ccccc1)[C@@]1(Br)C(=O)NC(=O)N=C1O 17056416 ICDHOXGQORLMCX-NSHDSACASA-N 367.199 2.479 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC1)CC1(CCOCC1)O2 19218696 ZVRIBHFLXDUKGW-UHFFFAOYSA-N 358.438 2.001 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19496277 ZIYLVFQQNYTHKO-DLBZAZTESA-N 372.513 2.160 0 40 FEAB CN(C)c1ncc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cn1 19585533 CJWVWHMPEWLLSX-UHFFFAOYSA-N 351.498 2.392 0 40 FEAB Cc1cc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)c2ncccc2c1 19666110 AJJPHXAWXMSEGW-UHFFFAOYSA-N 374.422 2.065 0 40 FEAB Cc1ccccc1-n1nnc(C(=O)NCCc2c(C)nn(C)c2C)c1C 19718127 JLMWBBOZLDZRJM-UHFFFAOYSA-N 352.442 2.207 0 40 FEAB O=C(NC1CCN(c2cnsn2)CC1)C1(c2ccccc2)CCOCC1 575615330 CSLSSYASGCBHSP-UHFFFAOYSA-N 372.494 2.372 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)NC2CCCC2)C1=O 8328134 UQXVESKNDPLQKH-ZUOKHONESA-N 373.453 2.300 0 40 FEAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c1 1888843188 YYTMHHLHEKGNMR-RYUDHWBXSA-N 365.359 2.042 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1)C1CC1 1888869618 SQZWBIFTNJJIQF-JTQLQIEISA-N 350.271 2.439 0 40 FEAB Cn1nc(C2CCN(c3cnc4ccccc4n3)CC2)n(C2CC2)c1=O 1888901182 NRIXZDXOJNJZGA-UHFFFAOYSA-N 350.426 2.244 0 40 FEAB CCCSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 2712582 OMQXQSLKHRVDSO-UHFFFAOYSA-N 364.427 2.124 0 40 FEAB Cn1c(=O)c2c(-c3ccccc3F)n(-c3ccccc3N)cc2n(C)c1=O 15085664 NCTQECNIDMZGTM-UHFFFAOYSA-N 364.380 2.416 0 40 FEAB c1cnc(OC[C@@H]2CCCN(c3ccc4nnc(C5CC5)n4n3)C2)cn1 2298084950 TZHBDVDVIVHWQE-CYBMUJFWSA-N 351.414 2.087 0 40 FEAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(c2cccc(C)c2)CC1 40017923 CXJQNJXOQTVAOM-LJQANCHMSA-N 373.497 2.061 0 40 FEAB O=C(NC[C@H](O)c1ccc(F)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 31316486 YNNUFCMTWBTFKJ-ZWKOTPCHSA-N 372.396 2.407 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc12 32195236 GPUBEIYQKCKZIO-UHFFFAOYSA-N 371.485 2.042 0 40 FEAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]12 16957124 VWFVWDKSWMXPKS-WWGRRREGSA-N 355.438 2.130 0 40 FEAB CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)C(C)C 1330615 IOQMSXPEKDFWAM-UHFFFAOYSA-N 371.416 2.367 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1 1623965 BQBDQDNQNFHEFK-INIZCTEOSA-N 358.419 2.427 0 40 FEAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC(=O)Nc1cccc(Cl)c1 29862767 VLGURNCGXJWCSS-LLVKDONJSA-N 368.865 2.223 0 40 FEAB C[C@H](Sc1nncn1C1CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 21589386 FOJRAXICUJOIMY-JTQLQIEISA-N 366.468 2.348 0 40 FEAB C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 29987192 SAUVAMJFSRFSGX-DOMZBBRYSA-N 360.433 2.316 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766383 YXTWFGPVKARCMR-UHFFFAOYSA-N 374.418 2.048 0 40 FEAB Cc1ccc(C)c(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 12226864 XHKAUAGFMRRNRB-UHFFFAOYSA-N 370.453 2.103 0 40 FEAB CNC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1 32903324 DDQBMIGSLRGURI-UHFFFAOYSA-N 350.382 2.330 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 10335364 HNMZJAXSBLTXNH-JTQLQIEISA-N 362.879 2.418 0 40 FEAB CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(CC)nn2c1N 9287643 VHIQYYDZUHEEPC-UHFFFAOYSA-N 371.397 2.130 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 47415999 BQNCEJLTGVQCIY-GJZGRUSLSA-N 352.500 2.188 0 40 FEAB NC(=O)[C@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 103955167 LIXHFDYPOGZECD-CYBMUJFWSA-N 367.434 2.086 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)OCc2csc(CC)n2)c1 22987895 XGBXZXHBXROXCR-UHFFFAOYSA-N 354.453 2.361 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)CC2)c1C 23078512 KUDVMVOZFFTMKQ-YLJYHZDGSA-N 373.522 2.406 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)CCn2c(=O)oc3ccccc32)oc1C 24281360 VQVZNNVILGOWQW-UHFFFAOYSA-N 372.377 2.331 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccn(C)n2)CC1 100750116 QNDYJLNDBAZIKQ-FCEWJHQRSA-N 369.469 2.229 0 40 FEAB Cn1nnnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 24752146 NKGDVHGKUJGFJB-UHFFFAOYSA-N 355.427 2.004 0 40 FEAB CCOC(=O)N1CCC[C@@H](C(=O)NCC(=O)Nc2ccccc2CC)C1 24836551 IHQJETQJVZACEY-OAHLLOKOSA-N 361.442 2.172 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)c(Br)o1 55312858 MQRZCODPUTVHBO-UHFFFAOYSA-N 352.206 2.351 0 40 FEAB CNC(=O)c1ccc(CN(CC(=O)NCCc2cccs2)C2CC2)cc1 25192151 OIVRZWQJGNJXAD-UHFFFAOYSA-N 371.506 2.431 0 40 FEAB C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 106894305 WCZPGCCJVXZUQB-LBPRGKRZSA-N 358.419 2.326 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OCc2ccccn2)c1 56201281 ZQYFGDXKQPPWDI-UONOGXRCSA-N 356.426 2.155 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 26231908 SQKVXILKCJPYJX-IXDOJHRFSA-N 372.490 2.478 0 40 FEAB Cc1csc(NC(=O)CN2CCN(CCc3cccs3)CC2)n1 58162287 NMFURJNCEBXPEL-UHFFFAOYSA-N 350.513 2.312 0 40 FEAB COc1ccc(CC[C@@H](C)NC(=O)c2sccc2-n2cnnn2)cc1 58179175 ZGNZCHBZOXKBJB-GFCCVEGCSA-N 357.439 2.484 0 40 FEAB O=C(NCCCNS(=O)(=O)Cc1ccccc1)c1ccccc1F 58167432 CQLXJBKNNPJGCV-UHFFFAOYSA-N 350.415 2.065 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1 36079573 GMPOMJLBZZANNJ-HNNXBMFYSA-N 367.496 2.288 0 40 FEAB CCC(=O)N1CCc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc21 44819314 BQTCOSSLVZFUQZ-UHFFFAOYSA-N 364.449 2.343 0 40 FEAB Cc1ccc([C@H](CNC(=O)CCS(=O)(=O)C2CCCC2)N(C)C)cc1 58245181 GRONZNSXRYAUNN-SFHVURJKSA-N 366.527 2.461 0 40 FEAB CCO[C@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 58391986 FBPJHTRMBGAPGO-LSDHHAIUSA-N 358.442 2.367 0 40 FEAB CCNc1nc(NCCNC(=O)Nc2ccccc2)nc(NC(C)C)n1 2255682 VCGNMXKXOIFXCL-UHFFFAOYSA-N 358.450 2.357 0 40 FEAB O=C(COCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 306135748 OZQIZIMCPNPBEO-QGZVFWFLSA-N 358.442 2.062 0 40 FEAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 3479727 FABRAKNNZWONEF-OLZOCXBDSA-N 366.373 2.242 0 40 FEAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 3477633 WELDCLXUJMJQJE-UHFFFAOYSA-N 352.438 2.405 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 408614292 ANJJVLKSJWIWMV-CQSZACIVSA-N 351.406 2.346 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 12975069 XBWJURSWDPLGDS-KRWDZBQOSA-N 354.362 2.226 0 40 FEAB COc1ccc(CCNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1 4108692 QZSGHPZUEDOCDR-AWEZNQCLSA-N 354.406 2.168 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O 13786517 BZNUAKCJTZUGBZ-CYBMUJFWSA-N 353.426 2.013 0 40 FEAB O=C(Cn1c(NCCO)nc2ccccc21)N1CCCc2ccccc21 5185195 YQUMWOQOOUISMX-UHFFFAOYSA-N 350.422 2.420 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1Cl 5166059 QTEGDUDUMSUDNK-UHFFFAOYSA-N 357.753 2.372 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 408601033 DSTUGOYCPDKFCO-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cccs2)C1=O 5450205 PLWXSXOJQFZGPW-QGZVFWFLSA-N 358.375 2.127 0 40 FEAB O=C1COc2ccc(C(=O)COc3ccc4ccc(=O)oc4c3)cc2N1 8705887 SANOKQZDTQNACB-UHFFFAOYSA-N 351.314 2.386 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2c1ccccc1 19168978 XAXCJQGPSUHBLW-BZSNNMDCSA-N 351.381 2.361 0 40 FEAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](C)[C@H]1c1ccccc1 81574260 JDSWCGYKHWNKDT-AOIWGVFYSA-N 365.481 2.207 0 40 FEAB CCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nnc1C1CC1 8249248 UALNAZRMYBOYPR-ZDUSSCGKSA-N 374.466 2.224 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSc1nnnn1Cc1cccs1 9482385 MCVWYZRTYZPOJJ-UHFFFAOYSA-N 371.447 2.171 0 40 FEAB CC1CCN(C(=O)c2ccc(N3CCN(c4cnccn4)CC3)nc2)CC1 112513887 WJMFHCJHMLNIIF-UHFFFAOYSA-N 366.469 2.070 0 40 FEAB CC(=O)NCCCOC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 95377412 LFSMTLKOTSNTBU-INIZCTEOSA-N 354.406 2.262 0 40 FEAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1cccnc1 95956461 XNBWIGMBLBSOCD-QGZVFWFLSA-N 353.422 2.306 0 40 FEAB Cc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)n1 36741412 ZVLKYRRWIIWDKM-QFBILLFUSA-N 368.481 2.272 0 40 FEAB COc1ccc(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 56997230 LERBJURPCARIIX-UHFFFAOYSA-N 371.456 2.315 0 40 FEAB Cn1ncc(C(=O)N[C@H](CC(N)=O)c2ccccc2)c1Cc1ccccc1 512356963 RKLQOUVWPMTWEI-GOSISDBHSA-N 362.433 2.357 0 40 FEAB CN(C)C[C@H]1CCc2ccccc2N1C(=O)CC1(CS(C)(=O)=O)CC1 517833103 QZXWCOODMBDOQV-MRXNPFEDSA-N 364.511 2.111 0 40 FEAB O=C(NCCNC(=O)c1ccco1)c1ccc(OCc2cscn2)cc1 32908634 DKKJLSYRZYZRKR-UHFFFAOYSA-N 371.418 2.475 0 40 FEAB CCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nnc[nH]4)ccc1c23 41125288 NWNCEALZKCZBFG-UHFFFAOYSA-N 357.395 2.129 0 40 FEAB CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)CCN(Cc1ccccc1)C2 72335700 KJKVZDKEJNPUBR-KRWDZBQOSA-N 367.497 2.062 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)C2 606440765 OEENVQKTVMJBBL-GFCCVEGCSA-N 365.359 2.244 0 40 FEAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)s1 44003606 UONQIELWVBOICY-UHFFFAOYSA-N 362.904 2.336 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(F)cc1F 224166863 CUHXSCMUFWCJAB-UHFFFAOYSA-N 368.409 2.224 0 40 FEAB COCCN1C(=O)C2(CCN(c3ncc(C)cn3)CC2)c2ccccc21 96161115 IWSCMTAXWAKKKQ-UHFFFAOYSA-N 352.438 2.316 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)n1 96109009 AJQRBGKBNTWLHG-UZLBHIALSA-N 353.422 2.090 0 40 FEAB CCCNC(=O)N1C[C@@H]2Oc3ccc(C(F)(F)F)cc3C(=O)N(C)[C@@H]2C1 514288701 USQPVZGWSBPKLS-OCCSQVGLSA-N 371.359 2.342 0 40 FEAB biogenic,in-vitro Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 96218092 WZQDYRMUUKGCST-FQEVSTJZSA-N 353.470 2.362 0 40 FEAB O=S(=O)(C1CC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 96047225 LPZAWHRHEKRBOX-UHFFFAOYSA-N 355.529 2.313 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl 243091285 IWNMAYBEXXUKPO-UHFFFAOYSA-N 374.890 2.274 0 40 FEAB COCC(=O)NCc1cn(C)nc1C1CCN(Cc2ccc(F)cc2)CC1 257268857 MNNAWFLKRCVNFF-UHFFFAOYSA-N 374.460 2.201 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253589986 ARUMTAYSTDBRDZ-IEARMKQFSA-N 372.465 2.484 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cc4ccc(F)cc4[nH]3)CCO2)n1 257235821 GZQVAUAZJWJUAN-MRXNPFEDSA-N 356.357 2.325 0 40 FEAB C[C@H]1CCCN1CC(=O)NCc1cccc(NC(=O)CN2CCC[C@H]2C)c1 1776002402 AZLYQCNQQKVWLU-DLBZAZTESA-N 372.513 2.210 0 40 FEAB Cn1cnc(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1 390828861 UZKLTKVDMUBVJI-UHFFFAOYSA-N 361.452 2.190 0 40 FEAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)OCCO)cc1 96338210 IMIOWAOMCPZXJG-LJQANCHMSA-N 370.449 2.417 0 40 FEAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585275449 AZDYUYIVFCWUOS-IBGZPJMESA-N 357.410 2.109 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc(NC2CC2)n1 1632792032 KHHIHZXBXSHLSU-MSOLQXFVSA-N 358.486 2.072 0 40 FEAB CN(C)c1ccc(NC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1 12118009 RRWXPVROTWMYJD-UHFFFAOYSA-N 369.450 2.259 0 40 FEAB Cc1nc2sc3c(c2c2nn(CC(=O)NC(C)C)c(=O)n12)CC[C@@H](C)C3 12132320 XDGOUOMZUMEYIF-SNVBAGLBSA-N 373.482 2.064 0 40 FEAB CCc1c(C)sc2ncn(C3CCN(CC(=O)N(C)C)CC3)c(=O)c12 12145459 PRCMMDMFJFLHCE-UHFFFAOYSA-N 362.499 2.054 0 40 FEAB CCc1cc(N2CCC(C(N)=O)CC2)n2nc3nc(C)cc(C)c3c2n1 12184387 BFGRBMHAQSNIHA-UHFFFAOYSA-N 352.442 2.158 0 40 FEAB CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F 13425544 GEDPTXCBGIBGCD-UHFFFAOYSA-N 351.403 2.038 0 40 FEAB Cc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15718697 MKNUHNXLRKMUKD-UHFFFAOYSA-N 358.463 2.377 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC34CCC4)ncc2C1 19018452 FYRGWTCRPJSEAY-RDJZCZTQSA-N 354.454 2.235 0 40 FEAB C[C@H](C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1 19079841 AIEUYLJVCSZVQG-CJNGLKHVSA-N 360.845 2.057 0 40 FEAB COCCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127766 LDPWMOFKYIAWRW-HZSPNIEDSA-N 356.417 2.457 0 40 FEAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccnn4C)CC3)o2)cn1 19215259 SWUKBEVXIRDHPA-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB CC(C)c1ncc(CN2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cn1 19696856 NJSJKAGURUUIMV-KRWDZBQOSA-N 353.470 2.128 0 40 FEAB O=C1CC[C@@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)NC(=O)N1 19716712 XSBKCJCBEAJQJK-INIZCTEOSA-N 371.368 2.331 0 40 FEAB COC(=O)C1CCN(C(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 226346362 SSFULYBRNWLWAS-UHFFFAOYSA-N 354.859 2.169 0 40 FEAB CCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 5123337 OKXSDSAYAKYGDE-INIZCTEOSA-N 373.453 2.085 0 40 FEAB O[C@H](CN1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 19402142 OVVVMVHKIDIVMD-QGZVFWFLSA-N 355.438 2.099 0 40 FEAB O=C1c2ccccc2C(=O)N1CCN1CCN(Cc2ccccc2F)CC1 41106180 YBVJZQSKHQJEIH-UHFFFAOYSA-N 367.424 2.240 0 40 FEAB Cc1ccc(-n2ccn3c(=O)n(Cc4cccc(F)c4)nc3c2=O)cc1C 245174465 YNRBJPMGUWORQB-UHFFFAOYSA-N 364.380 2.451 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 1565541628 IKVWJSWYXNTYAG-SIKLNZKXSA-N 364.445 2.083 0 40 FEAB Cc1nc([C@H]2C[C@H]3CN(C(=O)CCc4cncnc4)C[C@H]3O2)sc1C 1565542968 PDKKCIWFJUTVQU-ARFHVFGLSA-N 358.467 2.471 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccc(C)cc1 4911394 LFVJFNFQVQZVOJ-HNNXBMFYSA-N 372.450 2.302 0 40 FEAB CCCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071367 GQGMZZKEMULMLV-UHFFFAOYSA-N 373.844 2.211 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]c3)CC2)[C@@]2(CCN(C)C2=O)C1 2055796029 MQXUHXZOFRWEOX-NRFANRHFSA-N 372.513 2.057 0 40 FEAB CCn1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)cn1 2055731804 XTELWTQHJKBJBU-QXAKKESOSA-N 369.469 2.225 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)C1 8217104 OQUOYMULMHVULF-HZPDHXFCSA-N 358.438 2.150 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1OC 29322573 GSNYLDNBJHGWEU-UHFFFAOYSA-N 360.454 2.107 0 40 FEAB COc1ccc2c(CC(=O)N3CCN(c4ncccn4)CC3)coc2c1 3603544 PDEDSVRXNLQELR-UHFFFAOYSA-N 352.394 2.123 0 40 FEAB CCn1c(S)nc2cc(C(=O)NCCc3ccccn3)ccc2c1=O 102365324 HEVPGBTXRRKPBI-UHFFFAOYSA-N 354.435 2.073 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCOCC2)nc1 21590580 UDXAVJLXTJIGQJ-UHFFFAOYSA-N 370.405 2.486 0 40 FEAB COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 4968944 ZKGPDOCGHCCHAM-UHFFFAOYSA-N 360.435 2.083 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O 7579557 UJMNFUBYOHWWHA-IBGZPJMESA-N 370.336 2.204 0 40 FEAB O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 8201480 SIFTVZXYSXZQHO-UHFFFAOYSA-N 350.415 2.201 0 40 FEAB Cc1ccnn1Cc1nnc(S)n1-c1cnn(Cc2ccccc2)c1 2808676 GZSWGBBFIKNZDN-UHFFFAOYSA-N 351.439 2.354 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccn2)CC1 12322663 RXKXESKWODPYBF-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1nccnc1N 22376832 HFGSKONPEAMWBV-JTQLQIEISA-N 368.349 2.192 0 40 FEAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(=O)[nH]cnc21 12413713 WEVHUPUBLDYPTK-UHFFFAOYSA-N 357.439 2.487 0 40 FEAB biogenic,in-vitro COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)c1 22730354 QZTSCSVSUHJRCC-CHWSQXEVSA-N 351.447 2.225 0 40 FEAB Cc1[nH]c(C(=O)OCC(=O)N2CCCCC2)c(C)c1C(=O)OC(C)C 9740093 DLPRUMDOCXIKKL-UHFFFAOYSA-N 350.415 2.366 0 40 FEAB O=C(CCc1cccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136737 KAHOHECWGFBZJX-UHFFFAOYSA-N 351.450 2.294 0 40 FEAB C[C@H]1CCCN(C[C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 106136197 KBOSIPKOOZNNNK-GJZGRUSLSA-N 356.470 2.092 0 40 FEAB CCCCn1c(N)c(N(CC)Cc2cccc(F)c2F)c(=O)[nH]c1=O 24956254 TXAXUNSJULGOLX-UHFFFAOYSA-N 352.385 2.224 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24929045 PSGYWANUILYAMY-NWDGAFQWSA-N 372.343 2.382 0 40 FEAB Cc1ccc(CNC(=O)NCC(=O)NCCCN(C)c2ccccc2)cc1 12542173 VSZUMQYORKSUOO-UHFFFAOYSA-N 368.481 2.437 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 35307949 MDPXGHQJHURBTG-RMKNXTFCSA-N 361.467 2.311 0 40 FEAB Cc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)n(C)n1 58203323 JRDRTGOMGNKXCT-HZPDHXFCSA-N 356.470 2.268 0 40 FEAB Cc1cc(NC(=O)NCc2ccc(CN3CCCN(C)CC3)cc2)no1 58248947 RWKCSOCGBKSGES-UHFFFAOYSA-N 357.458 2.442 0 40 FEAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 2146680 NVALCGNAJQNXPI-PDOICOKGSA-N 357.406 2.325 0 40 FEAB biogenic Cc1c(CCC(=O)NCCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2123680 DDBWUJFCVDXISI-UHFFFAOYSA-N 367.785 2.374 0 40 FEAB biogenic Cc1ccccc1OC[C@H](C)NC(=O)N[C@@H](C)C(=O)NCc1ccco1 58305216 NBSBQDVRJSWZQW-GJZGRUSLSA-N 359.426 2.359 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC2(Cl)Cl)cc1 3353997 XEXYXVUJFMXSSD-JTQLQIEISA-N 352.239 2.288 0 40 FEAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCO1 408989436 KSQMLQMOUXIDJJ-RHSMWYFYSA-N 359.426 2.120 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 10925732 FJAFHVGZHGRLRK-UHFFFAOYSA-N 373.434 2.196 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCCO1 12867507 DOCDQZIYHWVHFT-ZDUSSCGKSA-N 355.232 2.333 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2F)cc1 3409458 ODUGAHVXMMLNFU-UHFFFAOYSA-N 367.398 2.035 0 40 FEAB COc1cc(C(=O)OCC(=O)NCc2ccccc2)cc(OC)c1OC 3452064 NKKWCWMCKRZIPI-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CN(Cc1cccs1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 12972669 LMOQWFOHEFJYCS-UHFFFAOYSA-N 364.471 2.144 0 40 FEAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O 64987569 NFRYVGPLRXIBEE-UHFFFAOYSA-N 364.405 2.408 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cc1Cl 5212619 KFXVGFGLNWPLLH-UHFFFAOYSA-N 371.176 2.498 0 40 FEAB COCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 4510803 SXINGCOQDOIVMC-GOSISDBHSA-N 360.435 2.430 0 40 FEAB Cc1nc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)sc1C 14239348 SRKYHYFSCLFZQC-UHFFFAOYSA-N 359.498 2.165 0 40 FEAB COc1ccc(CCNC(=O)CCn2cnc3sccc3c2=O)cc1 14260187 ACRCGUUTJHUPSG-UHFFFAOYSA-N 357.435 2.216 0 40 FEAB O=C(c1ccncc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 14422883 VLNGKWNFJXCAGA-UHFFFAOYSA-N 355.423 2.151 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cc1 6981596 OONSKLAUUGGRCZ-UHFFFAOYSA-N 371.481 2.234 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2cccnc2)C1 306130632 JLRILJIVNXHENJ-OAQYLSRUSA-N 359.433 2.248 0 40 FEAB Cc1cccc(N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c1 16297482 TWGZKVDQPBCZBY-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C 16697908 QDVGBJVGISYIDQ-AWEZNQCLSA-N 364.442 2.492 0 40 FEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 70017901 AJPVUCJOHXFWET-VNQPRFMTSA-N 366.483 2.488 0 40 FEAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc2c(c1)CCC2 9690498 SWTSPKRIIMQXRB-LLVKDONJSA-N 372.498 2.269 0 40 FEAB Cc1[nH]c(C(=O)Nc2cccc(-n3cnnn3)c2)c(C)c1C(=O)OC(C)C 9721802 PASTYYWQFWBVDU-UHFFFAOYSA-N 368.397 2.425 0 40 FEAB CCN(CC)[C@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 72304978 JYSRBIVQRLSWPA-GJZGRUSLSA-N 353.457 2.428 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1 95957141 JUXZFWHAIMPRHM-HNNXBMFYSA-N 358.442 2.379 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79490702 DPYQCMDVMJJVLP-CYBMUJFWSA-N 374.828 2.392 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)Nc2nnc(C3CCCCC3)s2)C1=O 75109512 ZJDAXZBSOXQJRC-LLVKDONJSA-N 365.459 2.243 0 40 FEAB Cn1c(=O)oc2c(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cccc21 89661864 QDLQOJZHVPXRHR-LLVKDONJSA-N 361.398 2.327 0 40 FEAB COCCOc1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2 60088975 GEGXYKGUBKARLR-UHFFFAOYSA-N 358.394 2.169 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)NCc1ccco1 409216950 MOZFSUAGUOUCOP-ZSOIEALJSA-N 358.375 2.338 0 40 FEAB Cc1sc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)n2c1C 35373118 PXUIMRNRHDTRKU-UHFFFAOYSA-N 357.391 2.396 0 40 FEAB C[C@H]1C[C@@H](O)CCN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 557077872 KRHALXPTJUGQOT-WFASDCNBSA-N 359.451 2.310 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2Cl)o1 32610789 LPISKTQIJLFKLD-NSHDSACASA-N 369.826 2.429 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35877136 ZOXZTVVYASKWLB-CBBYRDHQSA-N 369.465 2.170 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(OC)n1 72392573 PXFSRWXASNIKFB-XAUMDUMWSA-N 355.438 2.223 0 40 FEAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c1OC 39998526 FLYCHJXCDRIEKM-AWEZNQCLSA-N 350.440 2.448 0 40 FEAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 33005240 ILOBUMZRRBVGRV-UHFFFAOYSA-N 355.419 2.121 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)[C@@H]3COc4ccccc4C3)n2)c[nH]1 40051079 UMLJZBHRKRWNNT-LBPRGKRZSA-N 368.418 2.427 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 41154079 VELKQOPQXCHNON-UHFFFAOYSA-N 368.802 2.473 0 40 FEAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)N(C)C 44407897 FKUANKSJCUMCLZ-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCCC2=O)no1 85467575 BPTYCHCWAKBCNK-MRXNPFEDSA-N 359.401 2.476 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c(OC)c1 223318908 YVJHFGDMZBWZCM-UHFFFAOYSA-N 364.379 2.248 0 40 FEAB CN(C)c1ccnc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 224196108 OSXPEOOYUQNEMN-UHFFFAOYSA-N 360.361 2.040 0 40 FEAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042840 GAFVJIFFIFCVNT-CGTJXYLNSA-N 357.479 2.439 0 40 FEAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)C3CCCC3)C2)C1 96225129 RCDLRTYKBABYGD-FQEVSTJZSA-N 370.453 2.026 0 40 FEAB CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 578115968 XXWRBKQNZDNCTM-INIZCTEOSA-N 370.457 2.251 0 40 FEAB Cc1ccc(CN2CCO[C@@H]3C[C@@H](COCC(=O)N(C)C)C[C@@H]32)s1 96055409 RHUBDYCJYGVWOQ-BHYGNILZSA-N 352.500 2.141 0 40 FEAB c1coc(CNc2ccnc([C@@H]3COCCN3CC3CCOCC3)n2)c1 96220018 KVHTZNOZYPSMQC-KRWDZBQOSA-N 358.442 2.482 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn21 247974121 VTRTVTWZAKNHSU-ZDUSSCGKSA-N 358.785 2.226 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)c1cccnc1 247468194 DIUFHTIWWRYULG-KRWDZBQOSA-N 351.410 2.248 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 257200522 ADRIHOBNFXQSOX-CYBMUJFWSA-N 350.426 2.490 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257288552 PUQLYKIUEPSLJI-MRXNPFEDSA-N 354.458 2.117 0 40 FEAB COCC(=O)N1CCC(Cc2cnc(-c3cccc(C(=O)O)c3)cn2)CC1 257337632 YTRFKDPJZONLLU-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB C[C@@H]1CN(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC[C@@H]1C(=O)O 626760083 DFBUPALCLXJWLO-DOMZBBRYSA-N 362.430 2.032 0 40 FEAB CN(C(=O)CCCC(C)(C)C)[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1775996949 OGOFFBBKTDDFLC-OAHLLOKOSA-N 367.534 2.424 0 40 FEAB O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1ccc(Cl)s1 575621675 QTTZBIQQTAYTSE-JTQLQIEISA-N 367.901 2.492 0 40 FEAB Cn1nccc1C(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 585112143 JADZYMFLIOMVQY-CQSZACIVSA-N 370.482 2.055 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(C)c1)C2 585102867 LMARQMZTUPAXBR-INIZCTEOSA-N 352.500 2.116 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1Cl 159328407 NVQMOGDYGKLAGS-GFCCVEGCSA-N 367.858 2.301 0 40 FEAB O=C(c1cncs1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161468 YLNSFMWZXRVUQU-SFHVURJKSA-N 357.435 2.181 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 5241442 GLYVUCVFGBMMLO-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB CCc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c1 12940618 AKBFKSOCOXIHDN-NSHDSACASA-N 351.428 2.159 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 13849715 KAAKTSQCNVESOR-UHFFFAOYSA-N 354.815 2.177 0 40 FEAB COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 16189810 GBBUVKHHNOVQAR-BJMVGYQFSA-N 372.196 2.364 0 40 FEAB Cc1nn(C[C@H](C)C(=O)N2CCN(CCOC(C)C)CC2)c(C)c1Cl 19578156 FYSLZKNIQDMOMT-AWEZNQCLSA-N 370.925 2.359 0 40 FEAB Cc1nn(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 19583339 LKUCVNOJBTVOPG-UHFFFAOYSA-N 360.443 2.369 0 40 FEAB O=C(C1CCCC1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694040 SLYAHHXYFWLDHZ-UHFFFAOYSA-N 373.428 2.429 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(Cc4cccnc4)CC3)n2)n1 1776000705 GTMCYKGFMRCAMX-UHFFFAOYSA-N 364.453 2.278 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238824630 DLHZKHNHUCJTOB-AWEZNQCLSA-N 362.227 2.462 0 40 FEAB O=C(Cc1cccc2ccccc12)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100038679 DRWVSWJWKXPVCN-DOVHUEEUSA-N 372.424 2.467 0 40 FEAB CCOC(=O)[C@@H]1CC[C@@H]2CC=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N12 91302023 JSPQCKZOXNWHSV-IHRRRGAJSA-N 352.431 2.152 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)c(OC)c1 1076496378 GUQHVTDUXUYCBH-QFBILLFUSA-N 367.449 2.445 0 40 FEAB CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908659 UZMHFJWIFHRHGM-UHFFFAOYSA-N 355.438 2.363 0 40 FEAB CS(=O)(=O)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10252731 PHBNFXIJVYESJH-UHFFFAOYSA-N 372.402 2.116 0 40 FEAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(C)on3)ccc21 11612988 KLFAWCYXKLNOGV-UHFFFAOYSA-N 370.453 2.443 0 40 FEAB C[C@H](c1ccccc1)n1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 23115307 ZDFONWMSSOKUEZ-CQSZACIVSA-N 367.453 2.033 0 40 FEAB COc1cccc(N2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)c1 42658348 OUXMNSLZPUOBHN-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cc3ccsc3)CC2)c1=O 575615629 RQSCKIDURYGCKO-UHFFFAOYSA-N 374.388 2.068 0 40 FEAB O=C(O)c1ccccc1NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100117650 KBEFEQMDJBJJLL-STQMWFEESA-N 353.378 2.198 0 40 FEAB O=C(C1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1)N1CCCCCC1 101080913 FFNSMUCLAWQRTL-HDICACEKSA-N 373.497 2.010 0 40 FEAB NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 2645217 VRGMUODNQDTPDD-UHFFFAOYSA-N 354.391 2.240 0 40 FEAB CC(=O)Nc1cccc(-c2nnc([C@@H]3CCC[C@@H](NC(C)=O)C3)nn2)c1 1704358 QXEAYYWBHBNGPE-GDBMZVCRSA-N 354.414 2.054 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 102302875 GECNLXINWPLKOX-VXGBXAGGSA-N 362.455 2.331 0 40 FEAB O=C(OC[C@@H]1O[C@H]2[C@H](COC(=O)c3ccccc3)O[C@@H]12)c1ccccc1 4831411 KCTPRDJBGDNUES-XSLAGTTESA-N 354.358 2.235 0 40 FEAB COc1cccc(CC(=O)OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)c1 7682360 SLROPPMSBBKROE-LJQANCHMSA-N 369.417 2.097 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F 7940939 SELAUPDNYBEKCV-SOFGYWHQSA-N 350.371 2.134 0 40 FEAB Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)o1 107711867 VFEKKIMUKKVBCV-MJGOQNOKSA-N 350.459 2.064 0 40 FEAB C[C@H](NC(=O)c1cccc2cn[nH]c12)c1cccc(NS(C)(=O)=O)c1 52940988 JWOBBCVSVWNRPM-NSHDSACASA-N 358.423 2.425 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ncn(Cc2ccccc2)n1 54114121 GJFPEYGHLQVSKK-UHFFFAOYSA-N 370.434 2.291 0 40 FEAB COc1ccc(CNC(=O)Nc2cccnc2N2CCOCC2)cc1OC 54481604 VXXFYZBAXCYXID-UHFFFAOYSA-N 372.425 2.257 0 40 FEAB COc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)cc(OC)c1C 47423420 PJRCLSMUZQQYSF-UHFFFAOYSA-N 362.470 2.197 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccnc(N3CCCC3)c2)cc1 24987293 AQQCJFKVZUGICI-UHFFFAOYSA-N 352.438 2.036 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1428433 OXPRGUHMWIHVAT-GOSISDBHSA-N 358.463 2.199 0 40 FEAB NC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2 1454208 PJEFOFNYBCPYQY-CYBMUJFWSA-N 370.430 2.446 0 40 FEAB CCOCCOC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 1781958 WJWNZQPXTBASMD-UHFFFAOYSA-N 374.418 2.441 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1 57383826 XHPBVWJYDXXRCR-SNVBAGLBSA-N 368.842 2.487 0 40 FEAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1c(C)cc(C)cc1C 26818979 PSLRAIHYOLIFPV-CQSZACIVSA-N 357.497 2.281 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 57743298 WUCDIVJOFBFWLS-CYBMUJFWSA-N 364.467 2.128 0 40 FEAB CCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3348749 JJRNTSYCHYRPPA-CMDGGOBGSA-N 374.441 2.214 0 40 FEAB Cc1ccc(N2C(=O)N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1 2263808 XRNUVCPRPYMOLV-OAHLLOKOSA-N 357.332 2.472 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(OC)c(OC)c2)C1 48332955 XEVRZALSBLCBRB-OAHLLOKOSA-N 364.442 2.374 0 40 FEAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc[nH]c1=O 3525653 DDJKMORWFQJSNT-UHFFFAOYSA-N 358.394 2.477 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 12997878 BMIRILRPRHXOBF-UHFFFAOYSA-N 354.334 2.034 0 40 FEAB O=C1C[C@H](C(=O)NCCc2ccc3c(c2)OCO3)c2ccc(F)cc2N1 12915162 KOIPHMLNILYJET-AWEZNQCLSA-N 356.353 2.339 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC1CCCCC1 3600819 FRALLNYCPHWNAN-FQEVSTJZSA-N 355.438 2.219 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@@H]1CN 70177242 JZNSPDVEFQMKHJ-PSASIEDQSA-N 353.307 2.259 0 40 FEAB O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4392807 WTWLEQBDXQRFEX-LLVKDONJSA-N 362.403 2.012 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3ccccc3C1)C2=O 4308899 UNYPAELSCJNCTH-VBKZILBWSA-N 355.438 2.072 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)ccc1Cl 5336003 WUEPPHTZUXMFTQ-UHFFFAOYSA-N 370.862 2.356 0 40 FEAB CCc1ccc(CN(C)Cn2nc(C(=O)NC)c3ccccc3c2=O)cc1 14169422 OKWXOUBEWCQQKQ-UHFFFAOYSA-N 364.449 2.408 0 40 FEAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505216 AGSCGLVUWKWSFH-LBPRGKRZSA-N 372.295 2.191 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 6552371 JNNCWJMXIFIUSX-FQEVSTJZSA-N 369.396 2.299 0 40 FEAB CCOC(=O)CSC1=N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1C 4649140 BRRPTIIOOUHHMB-WQLSENKSSA-N 364.423 2.169 0 40 FEAB CSCC[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O 5575560 JBPDWLLNDFFBLP-GFCCVEGCSA-N 361.448 2.500 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 5517276 APVLWLHWRDDGKT-CQSZACIVSA-N 370.236 2.480 0 40 FEAB COCCNC(=O)NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 15033774 NZJYVWDJXJZEKM-GOSISDBHSA-N 373.478 2.168 0 40 FEAB CCN(Cc1cccs1)C(=O)NCC(=O)N(C)CCc1ccccn1 67089692 SSSAXCZMOALHND-UHFFFAOYSA-N 360.483 2.376 0 40 FEAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(O)c2)s1)c1ccc(Cl)cc1 7016031 YUAFTJSACCXIQE-CQRYCMKKSA-N 357.818 2.288 0 40 FEAB C[C@H](NS(=O)(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 8936849 CPNGJKHUYJPNAX-AWEZNQCLSA-N 357.435 2.077 0 40 FEAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9048533 YZCLIOIUJIYXTR-UHFFFAOYSA-N 360.435 2.333 0 40 FEAB Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c2c(C)nn(C)c2n1 25452182 SFIMUWOJHZARSO-CQSZACIVSA-N 363.421 2.441 0 40 FEAB O=C(C1CCC1)N1CCc2ncnc(NCCc3nccs3)c2CC1 72422009 CJFIAJWCOQTTGL-UHFFFAOYSA-N 357.483 2.315 0 40 FEAB CCOc1ccc(CN2CCN(c3ccc4nnc(CC)n4n3)CC2)cc1 76664911 FHILPTSAYNFJGS-UHFFFAOYSA-N 366.469 2.408 0 40 FEAB NC(=O)CCC1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 95454952 IQRDZIFHBJXPKX-UHFFFAOYSA-N 355.442 2.441 0 40 FEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCC1CCOCC1 95479584 DZNHHPNILOBTMR-HNNXBMFYSA-N 363.849 2.043 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 75094066 QNWAGAMXCYJSOT-SOLBZPMBSA-N 371.481 2.035 0 40 FEAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O 39985681 NOKYUMUFXCJUFF-MEBBXXQBSA-N 361.225 2.454 0 40 FEAB Cc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)C(=O)O)c1C 547963885 DKOWNOOBDILCSX-QGZVFWFLSA-N 361.419 2.438 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2C(=O)NC3)cc1C(=O)O 515694506 QJWRCBXWAPLJPR-UHFFFAOYSA-N 360.391 2.046 0 40 FEAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Cl)c1 408552678 MXTQRRBCIUMJJQ-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCc3c([nH]c4ccccc34)C2)cn1C 524734140 ARXRURZDPMSPDO-UHFFFAOYSA-N 351.406 2.139 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)cn2C)sc1C(C)C 72404062 GLYAOLZRNYLYLN-UHFFFAOYSA-N 365.411 2.013 0 40 FEAB Cc1ccccc1OCCCNC(=O)[C@]1(C)CC(=O)N2C=CC=CC2=N1 35316635 VJYPUAPHUUXNFP-FQEVSTJZSA-N 353.422 2.353 0 40 FEAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(Cl)c1 32093360 ODKWBNWSRUGGKO-CYBMUJFWSA-N 371.824 2.448 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 30855958 WABKLGGHXCITCT-UHFFFAOYSA-N 374.462 2.125 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 44949548 DUVPRHHRAVLFPI-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB Cc1cc(N2C[C@H](C(=O)O)CC2=O)cc(C)c1I 45889721 HYCZZVYXSAWWTJ-SECBINFHSA-N 359.163 2.346 0 40 FEAB CSc1nnc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)s1 225456114 JVUVRMDEKLKVLP-UHFFFAOYSA-N 372.497 2.217 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(Cn3ccccc3=O)o2)n1 48333277 MBFIUYUXIMNPSY-AWEZNQCLSA-N 368.437 2.369 0 40 FEAB CCc1ccccc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 43941446 NRHIHFCJTYSRJJ-UHFFFAOYSA-N 367.453 2.010 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O)c1csc2c1CCCC2 225659731 ZAXVJMCAJYSASA-XYPYXGAPSA-N 356.447 2.469 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccnc(O[C@@H]2CCSC2)c1 225717978 ZXXDXDNOMKIQGT-OAHLLOKOSA-N 368.422 2.194 0 40 FEAB Cc1ccc2c(c1)O[C@H](C(=O)NCC1CCCCC1)CN2S(C)(=O)=O 224489210 BRSMDFJGLJCVNP-KRWDZBQOSA-N 366.483 2.219 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)cn1 96110939 WZOHHDWCWOHGBL-ZWKOTPCHSA-N 357.479 2.425 0 40 FEAB Cc1cn2nc(N[C@@H]3CCN(C(=O)CCc4ccc(C)o4)C3)ccc2n1 578228035 FHXSDRFRPOCXKC-OAHLLOKOSA-N 353.426 2.585 0 40 FEAB CCOC(=O)c1csc(NC(=O)CCc2nc(-c3ccncc3)no2)n1 96116613 HPGDRKQHCRRSED-UHFFFAOYSA-N 373.394 2.336 0 40 FEAB CCc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1 96214958 WOVCZFLAVRGQLG-SFHVURJKSA-N 350.484 2.279 0 40 FEAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)C(=O)N1C 96261407 MKJAIBUAXIFZCK-SIXWZSSISA-N 358.417 2.006 0 40 FEAB Cc1cccc(CO[C@H]2CO[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2)n1 96206191 SWURJHFADLIPNE-UXHICEINSA-N 356.470 2.464 0 40 FEAB O=C(COc1ccccc1)N1CCCn2nnc(COCC3CC3)c2C1 96084370 LAVDUFDRIAIJFG-UHFFFAOYSA-N 356.426 2.016 0 40 FEAB CN(Cc1ccccc1)C(=O)Cc1noc([C@@H]2CCc3cnn(C)c3C2)n1 585084405 WPGZBNCDEOMUIZ-OAHLLOKOSA-N 365.437 2.277 0 40 FEAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1sccc1C)CC2 253599774 UHTJNGYSJXFNTR-CQSZACIVSA-N 362.499 2.135 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)CCC3)C1 260926729 JKOPFWZFSQPVCP-RDTXWAMCSA-N 364.511 2.414 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1CCCCN(C)C1)c1ncc(Br)cn1 624111731 CTRBBQKMDUPQJW-NEPJUHHUSA-N 370.295 2.331 0 40 FEAB COCc1csc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)n1 626412193 QAPDKSBCVNGTHY-MCIONIFRSA-N 354.476 2.053 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640873901 HVPSQKVPXKJODK-SUMDDJOVSA-N 357.429 2.400 0 40 FEAB NC(=O)c1ccccc1CCC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 643269771 VPJDEILKXVDXAE-UHFFFAOYSA-N 350.418 2.498 0 40 FEAB O=C(O)[C@H]1CC(=O)N(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 650773635 BKIVPOTUGGCPAY-JTQLQIEISA-N 357.332 2.002 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2cccs2)n1 96103868 NXYZKCRAHDEKRJ-UHFFFAOYSA-N 352.441 2.195 0 40 FEAB O=C(Nc1ccccc1Cl)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390830057 ILSNILKOQBOUNH-LLVKDONJSA-N 357.805 2.178 0 40 FEAB CCOC(=O)c1oc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc1C 84795666 PFSSAUHCWBCMSH-UHFFFAOYSA-N 365.430 2.383 0 40 FEAB C[C@@H]1CN(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)C[C@@H](C)O1 12199272 YSTNBDSYUCVTHX-MDZRGWNJSA-N 363.477 2.188 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c2nccnc21 12365116 YZMBYLVQAHMUIP-AWEZNQCLSA-N 353.401 2.451 0 40 FEAB COc1ccccc1CCNC(=O)CCN1C(=O)COc2ccccc21 15026238 NSKQKIAAKLHRRH-UHFFFAOYSA-N 354.406 2.170 0 40 FEAB O=C(CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NC1CCCC1 16851283 SGFZOULZJWRMKH-UHFFFAOYSA-N 360.439 2.075 0 40 FEAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 17073012 SVDIYMRERLQLJQ-VSZNYVQBSA-N 352.390 2.489 0 40 FEAB CC(C)OC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 19450376 CTCYUBYYNZICLX-UHFFFAOYSA-N 367.409 2.216 0 40 FEAB CNc1ncc(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)cn1 19749070 YJKAVUOFEIQKPW-KRWDZBQOSA-N 367.453 2.333 0 40 FEAB C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@](C)(CO)CCC[C@@]12C 253388329 LLKIVVHUJOPYIV-DEXNHKOPSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro O=S(=O)(C1CC1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888879692 ZXWAULLOEFIVMD-CQSZACIVSA-N 359.451 2.337 0 40 FEAB O=C1CS[C@@H](c2cccc(Br)c2)N1CCN1CCOCC1 19898644 YOOYFGXHSWKASC-HNNXBMFYSA-N 371.300 2.355 0 40 FEAB COc1ccc(CC(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CC2)cc1 1775963872 HQOSUTBEBSGRHB-NOENWEJRSA-N 356.466 2.389 0 40 FEAB biogenic,in-vitro Cn1nc(CN2CCCCC2)c2c1CN(C(=O)Cc1ccc(F)cn1)C2 1565549521 SRCLCJCGBBFWQH-UHFFFAOYSA-N 357.433 2.025 0 40 FEAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(F)cc1 5398354 AABDDUDUQYVMOH-UHFFFAOYSA-N 367.336 2.417 0 40 FEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccco3)c2n1 8946848 YJELYLRJSOVFPD-UHFFFAOYSA-N 372.454 2.171 0 40 FEAB CC(C)c1ncnc(N2CCCN(c3ccc4nccn4n3)CC2)c1F 2086864883 PUEVGRYVNCYGBL-UHFFFAOYSA-N 355.421 2.499 0 40 FEAB O=c1c(S(=O)(=O)N2CCCCC2)cccn1Cc1cc(F)cc(F)c1 49408784 OEGSJAJEUIGESQ-UHFFFAOYSA-N 368.405 2.349 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc(NS(C)(=O)=O)c1 40090112 ZYKFDWARIJLLKX-NSHDSACASA-N 362.407 2.278 0 40 FEAB CCOc1cc(CN2CCN(C(=O)c3ccncc3)CC2)ccc1OC 20057898 PUJHESNUZRAIEH-UHFFFAOYSA-N 355.438 2.447 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 40104747 QLYJHCMRMJELKI-UHFFFAOYSA-N 360.414 2.341 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)c1 40155282 XLYBGTVVAYOFTK-HUUCEWRRSA-N 361.442 2.351 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 40121563 PVGPGLIKYPVPPY-YOEHRIQHSA-N 372.469 2.398 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 8331150 RCJFLAZZPZUVRR-UHFFFAOYSA-N 356.407 2.232 0 40 FEAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 8344619 WWXWKMQAYBXGHB-UHFFFAOYSA-N 367.448 2.126 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CC(=O)N2 46224396 RWQQMJVOWIPGGY-IUODEOHRSA-N 355.438 2.150 0 40 FEAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1 878424 KAQJGNXNYWIYGY-UHFFFAOYSA-N 371.441 2.053 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 32754261 WNBXQOZCOHLJFJ-BBRMVZONSA-N 351.403 2.177 0 40 FEAB CN1C(=O)COc2ccc(C(=O)CSc3nnc4c(n3)CCCC4)cc21 4988536 XTSLSQKAZZBDIU-UHFFFAOYSA-N 370.434 2.081 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1nc(N2CCCC2)ncc1Cl 52577874 RVRAVHRHXZLDPW-ZDUSSCGKSA-N 360.849 2.271 0 40 FEAB Cc1cccc(CN2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)n1 107228835 JBUUJDJXCWRWSU-QUCCMNQESA-N 353.470 2.440 0 40 FEAB COc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100737772 ZVIUSRGZALYVBV-QZTJIDSGSA-N 369.465 2.118 0 40 FEAB Cc1ccc(C(=O)N[C@H]2COc3ccccc3C2)cc1NS(C)(=O)=O 53045622 MAUGSERFFXOCDH-OAHLLOKOSA-N 360.435 2.100 0 40 FEAB CC[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 22877756 WOPGOGKEHOBTBB-CQSZACIVSA-N 372.446 2.141 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 810397 AKSLIYNKJYZMHJ-GFCCVEGCSA-N 354.362 2.416 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)n1 23246617 JHJGRLXXGKRTRA-UHFFFAOYSA-N 372.469 2.223 0 40 FEAB CCc1[nH]c(C(=O)Nc2nc3c(s2)CN(C)CC3)c(C)c1C(=O)OC 23608426 NKBRVMXQKOPSBK-UHFFFAOYSA-N 362.455 2.369 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)CC1 89930476 SAAGZRLDCSSGOQ-LJQANCHMSA-N 364.873 2.104 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(CO)cc2)c1 23974172 BFHNFQGYKUAQHR-CYBMUJFWSA-N 371.389 2.458 0 40 FEAB COc1ccc(C(=O)CCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1OC 24186752 RBXIBLUJQBQETK-UHFFFAOYSA-N 372.421 2.288 0 40 FEAB Cn1cc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cn1 25308811 IQQXACZBMXHYPY-INIZCTEOSA-N 350.378 2.219 0 40 FEAB COc1cccc(CN(C)C(=O)c2c[nH]c(=O)c(Br)c2)c1 78877956 XLRMKSZYRMQAMK-UHFFFAOYSA-N 351.200 2.418 0 40 FEAB O=C(Cn1cccnc1=O)N[C@H](COc1ccccc1F)c1ccccc1 58203275 RLIFTYSFNKWZQH-QGZVFWFLSA-N 367.380 2.319 0 40 FEAB CCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2156214 QLIDVPQYNLUXSC-OAHLLOKOSA-N 361.394 2.412 0 40 FEAB biogenic O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1 36396332 STAUMAZFEIYICT-LBPRGKRZSA-N 356.344 2.255 0 40 FEAB CCc1nn2c(=O)cc(CSc3nnc4n3CCCCC4)nc2s1 12750280 OYOAQAYRZGXEPB-UHFFFAOYSA-N 362.484 2.324 0 40 FEAB CCc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 12739195 FJTKDLXFHHKKQG-KRWDZBQOSA-N 354.385 2.447 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 11327265 FUQJCRYKDQVYHX-UHFFFAOYSA-N 363.391 2.321 0 40 FEAB CCCCCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 12855295 USPWWVIFHOTFCA-TXEJJXNPSA-N 364.471 2.385 0 40 FEAB COc1ccc(COC[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 12889615 OVFLVDJLYQSMIX-MRXNPFEDSA-N 361.438 2.282 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NCc1nc2ccccc2[nH]1 8709996 YBBATGJBSBDVTA-UHFFFAOYSA-N 352.419 2.318 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCCc1ccccc1)CCN(C)C 66946111 OENVBIISIGJWAF-QGZVFWFLSA-N 371.481 2.421 0 40 FEAB Cc1cc2nc(NC3=NCN(C[C@H]4CCCO4)CN3)nc(C)c2cc1C 19332129 KMXZYIXHBQQNBO-OAHLLOKOSA-N 354.458 2.322 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 67477127 VZUJBPDKFLZOHL-GOSISDBHSA-N 365.433 2.218 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 7563351 ZGQUOAWERWJZPX-UHFFFAOYSA-N 362.426 2.264 0 40 FEAB O=C(COC(=O)c1cc(F)ccc1Br)NC[C@@H]1CCCO1 7867312 PNIVEYZQFFNUCE-JTQLQIEISA-N 360.179 2.040 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7842650 DALPFTPMPNIMSN-OAHLLOKOSA-N 369.421 2.103 0 40 FEAB COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1cccc(C)c1C 16637021 BNTBVSFPJMPBGQ-UHFFFAOYSA-N 369.465 2.499 0 40 FEAB Cc1cnc(OC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 655640086 ALKUHSUBMVZSGZ-UHFFFAOYSA-N 351.403 2.156 0 40 FEAB CC(=O)CCc1ccc(OCC(=O)NCCn2cnnc2C(C)C)cc1 97212721 BONNSFDBVNIRJG-UHFFFAOYSA-N 358.442 2.118 0 40 FEAB COCc1nnc(NC(=O)c2cc3c(OC)ccc(OC)c3n2C)s1 72402157 NPXZUTKRIROXOJ-UHFFFAOYSA-N 362.411 2.446 0 40 FEAB C[C@@H]1CCc2c(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)csc2C1 95460082 GPDNSQJTUZPCBB-LALPHHSUSA-N 350.484 2.239 0 40 FEAB Cc1ncc(Cl)c(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n1 95998025 YSKKMUXLRIZIBL-UHFFFAOYSA-N 354.801 2.394 0 40 FEAB CC[C@@](C)(NC(=O)c1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1)C(=O)O 95969989 UJRQVBPROAKQIK-QGZVFWFLSA-N 363.801 2.177 0 40 FEAB CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)[C@H]2C(=O)CCC[C@@]21O 28466492 JEPGYGKYYADGQF-CKEIUWERSA-N 354.353 2.432 0 40 FEAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1-n1cnnn1 36357017 SOZGDKAUOUQESA-UHFFFAOYSA-N 359.773 2.342 0 40 FEAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cc1 36089862 HPFJEEZHHKEDPX-QGZVFWFLSA-N 359.495 2.475 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 41396472 AHKLUTQQSAHPFD-CQSZACIVSA-N 356.344 2.169 0 40 FEAB O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)c1cnn2ccccc12 523977758 INEYXNGSQOFYOJ-UHFFFAOYSA-N 371.360 2.421 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1 224205889 RXTMELDRYQTETR-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB Cc1cc(CSc2ncccc2C(=O)NCC(=O)N2CCCCC2)no1 40121183 GQQOFOJWVPNGEA-UHFFFAOYSA-N 374.466 2.413 0 40 FEAB COc1cccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225946278 FAHDLWXWLPLIFQ-MRXNPFEDSA-N 366.414 2.453 0 40 FEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccccn1 225726972 ODRGZFJGIYILEG-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB CCOC(=O)N1CCN(Cc2cc(=O)oc3cc(O)c(CC)cc23)CC1 20412543 BJAPCICROIQPAL-UHFFFAOYSA-N 360.410 2.335 0 40 FEAB biogenic CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 223369487 YUSBWMJKUXIAJR-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB CC(C)CCN1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96144766 PIXQMIXXVQNXPG-KRWDZBQOSA-N 362.518 2.391 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192145 DEAKORBLSOAIQN-CYBMUJFWSA-N 366.343 2.115 0 40 FEAB CCC[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCCC1 333593479 LNCWCXSHOXHUKH-QZTJIDSGSA-N 364.534 2.293 0 40 FEAB Cc1cc(C(=O)N2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)no1 96065096 KJOGAECSTWSXSZ-IEBWSBKVSA-N 357.410 2.468 0 40 FEAB O=S(=O)(c1ccccc1)N1CCc2onc(COc3cccnc3)c2C1 96260076 XQKDXENPMXMATK-UHFFFAOYSA-N 371.418 2.396 0 40 FEAB Cn1ccnc1CN1CCC(c2nccnc2Nc2cnccn2)CC1 257224063 FAECINCTLLYHPF-UHFFFAOYSA-N 350.430 2.123 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)N2CCCC2)C1 42467969 VDZQYRZZVDDTDL-INIZCTEOSA-N 373.453 2.002 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3[C@H](CCOCc3ccncc3)C2)on1 253600103 HBYMYOXOBYOPIW-QGZVFWFLSA-N 367.409 2.379 0 40 FEAB CC(C)c1n[nH]c(CC2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)n1 636117299 HVSPMPHPOUXWKL-KRWDZBQOSA-N 356.470 2.313 0 40 FEAB COc1ncccc1NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644315016 JDWYDBHUGMZPRX-FQEVSTJZSA-N 355.438 2.446 0 40 FEAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCOC2(CCC2)C1 644413073 YJBRWZCPBNINOJ-HXUWFJFHSA-N 358.482 2.185 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)NCc1nc([C@@H]3CCCO3)n[nH]1)C2 654638314 ZYCQHCVGSYUAKI-INIZCTEOSA-N 371.441 2.323 0 40 FEAB O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC(C2CCOCC2)C1 669738065 UWKUIEVRXPGVIA-CYBMUJFWSA-N 364.392 2.203 0 40 FEAB CN1c2ccc(NC(=O)c3cnc4ccccc4n3)cc2N(C)S1(=O)=O 390827756 JWNDXWRPHGRMFI-UHFFFAOYSA-N 369.406 2.013 0 40 FEAB CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585289074 FGSFNAJZFJLDAC-IPMKNSEASA-N 350.434 2.087 0 40 FEAB CC(C)CCN1CCC[C@]2(CC(C(=O)NCc3cscn3)=NO2)C1 585101114 FEVKRBFCRMZZDS-KRWDZBQOSA-N 350.488 2.416 0 40 FEAB C[C@@H]1c2ncc(CCOCC3CCC3)n2CCN1C(=O)c1ccnn1C 585097707 MYJBLYZEFQSYNY-CQSZACIVSA-N 357.458 2.193 0 40 FEAB O[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccc(F)cn2)C1 585270171 HLZKPUGKTULXSD-LJQANCHMSA-N 363.408 2.300 0 40 FEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)c(O)c1 1749413 YLERYSDESKORQS-LLVKDONJSA-N 358.350 2.344 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 5120082 IICLSTHDBURUGS-WCVJEAGWSA-N 369.396 2.155 0 40 FEAB CC(C)(C)NC(=O)Cn1nc(-c2cccc(F)c2)n(-c2ccncc2)c1=O 12117403 IFBLMUXQHCIYCK-UHFFFAOYSA-N 369.400 2.150 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)CCn3ccc(C)n3)c2C2CC2)on1 13227744 AAFKQMBWHMDUBV-UHFFFAOYSA-N 368.441 2.435 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1 14250814 BWRWDSAOZSHXBR-UHFFFAOYSA-N 362.386 2.275 0 40 FEAB Cc1nccn1Cc1cccc(C(=O)NCCSc2nccn2C)c1 19288214 YLKBNAQWXWZVIO-UHFFFAOYSA-N 355.467 2.495 0 40 FEAB CCCc1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)no1 19525315 KBARJZLCOJIYEW-CQSZACIVSA-N 369.469 2.425 0 40 FEAB CNc1cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(-c2cccnc2)n1 19592214 TUDHFHJWRNRNOF-KRWDZBQOSA-N 367.453 2.465 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cn2cc(Cl)ccc2n1 19660778 HUSYEEZULYYGPZ-OAHLLOKOSA-N 354.797 2.040 0 40 FEAB Cc1nc(N2CCC(NC(=O)Cn3cccc3)CC2)cc(C(F)(F)F)n1 225725740 CTZWQRVWLKSCAU-UHFFFAOYSA-N 367.375 2.391 0 40 FEAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1ccc(C(=O)O)cc1 4521216 PVMDAMXGKHIMSQ-IPYPFGDCSA-N 363.439 2.049 0 40 FEAB in-vitro Cc1nc(=S)[nH]c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 9376593 YQFNJHKJSHGTNC-UHFFFAOYSA-N 357.483 2.432 0 40 FEAB Cn1nc(C2CCN(c3ncnc4ccc(F)cc34)CC2)n(C2CC2)c1=O 1888904002 MESLWOSIRMJYBB-UHFFFAOYSA-N 368.416 2.383 0 40 FEAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(CCn2nccn2)C1 1776000866 NQGUZRWBJZUJQB-ZDUSSCGKSA-N 355.364 2.483 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1=O 2037985558 NUBDMEQNRPZOFY-FQEVSTJZSA-N 362.445 2.387 0 40 FEAB COc1ccc(-c2coc3cc(OC(=O)CO)c(OC)cc3c2=O)cc1 2060990626 KYRXQCPGYZXHAI-UHFFFAOYSA-N 356.330 2.375 0 40 FEAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)NCc4ccccc4)OC[C@H]3C2)n[nH]1 1565552872 ZNIMIUJATXJVPV-RLLQIKCJSA-N 368.481 2.262 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cs1 1565549180 NITPJDGNMVJTPT-UHFFFAOYSA-N 356.451 2.271 0 40 FEAB Cn1c(=O)c2c(SCc3ccccc3)nc(C3CC3)nc2n(C)c1=O 4139076 WSTBAMCEFXLMEJ-UHFFFAOYSA-N 354.435 2.197 0 40 FEAB CC(C)Cn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10964138 FRAXTPHFVNPRJJ-UHFFFAOYSA-N 372.816 2.047 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3ccc(F)cc3s2)C1 13789916 URJGJAXUBGZCCI-VIFPVBQESA-N 357.432 2.046 0 40 FEAB Cc1cc(C(=O)N2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)no1 2055751227 WWPMYTWXXVILTB-LJQANCHMSA-N 356.426 2.158 0 40 FEAB COC(=O)[C@@](CC1=CC[C@H]2C[C@H]1C2(C)C)(NS(C)(=O)=O)C(F)(F)F 100123516 MLJVFKXWSFYGOJ-MISXGVKJSA-N 369.405 2.392 0 40 FEAB COc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 39995582 BKAXKWCAYLMVKG-AEFFLSMTSA-N 359.447 2.336 0 40 FEAB CCc1ccc2nc(NC(=O)CCN3CCCS3(=O)=O)sc2c1 40146542 HKGVDTNQODJHCQ-UHFFFAOYSA-N 353.469 2.223 0 40 FEAB O=C(c1cccc(N2CCNC2=O)c1)N1CCN(Cc2cccs2)CC1 40105413 ILLDRLPTPAAHGP-UHFFFAOYSA-N 370.478 2.236 0 40 FEAB CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1 20546763 SQLOMNJRXBZDPV-UHFFFAOYSA-N 370.478 2.466 0 40 FEAB Cc1ccc(C)c(SCC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 11759041 ZAOGJVFTKMRXAI-UHFFFAOYSA-N 361.467 2.367 0 40 FEAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 810117 BVIRQEZLAKCTNQ-ZDUSSCGKSA-N 356.875 2.363 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@@H](C)O1 21056223 PGMQMFMKOAWWLW-ZIAGYGMSSA-N 358.438 2.411 0 40 FEAB C[C@@H]1CCc2c(sc3nnn(CC(=O)NCc4cccs4)c(=O)c23)C1 1331927 CSKFEXYRWAXWTJ-SNVBAGLBSA-N 374.491 2.356 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(CN2CCCC2=O)c1 21597851 DJXGUAKTISVTGC-KRWDZBQOSA-N 366.417 2.379 0 40 FEAB Cc1ccc(C(=O)O)cc1N[C@H]1CC(=O)N(CCc2ccccc2)C1=O 6587415 ADGQSEUNWXQFPE-KRWDZBQOSA-N 352.390 2.475 0 40 FEAB COC(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(OC)c1 7033411 LNXNCZXTFFVXGL-UHFFFAOYSA-N 355.390 2.446 0 40 FEAB CNC(=O)c1ccc(CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1 7997579 VOLVUAVBQMACGD-UHFFFAOYSA-N 358.442 2.402 0 40 FEAB COc1ccccc1-c1nc(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)n[nH]1 52778966 GJHROETYQVRIBE-ZDUSSCGKSA-N 371.441 2.313 0 40 FEAB COc1cccc(NC(=O)[C@@H](N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 33040182 HWCZDAUXYPIGGN-AEFFLSMTSA-N 374.462 2.152 0 40 FEAB CN(CCCNC(=O)c1cccc(S(C)(=O)=O)c1)Cc1ccccc1 21938958 OZNUOPFRQGRASD-UHFFFAOYSA-N 360.479 2.342 0 40 FEAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 47028193 AYIKTQMDPWQHCC-OAHLLOKOSA-N 374.464 2.374 0 40 FEAB C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 57645923 UMICVTSIOCXLNA-CYBMUJFWSA-N 367.409 2.068 0 40 FEAB Cn1cc(C(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cn1 54776024 XGYWOPWUAHKPDZ-UHFFFAOYSA-N 373.457 2.372 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)cc21 102451735 YDXIWVYDLUXKAY-MXWKQRLJSA-N 370.858 2.499 0 40 FEAB CCc1c(C(=O)NCc2ccc(C)cc2)cnn1-c1ccc(OC)nn1 24549983 RZDULSJOZBWJAI-UHFFFAOYSA-N 351.410 2.472 0 40 FEAB Cc1cc(COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)on1 24509941 HNWMNBQNPUFCHH-HNNXBMFYSA-N 352.412 2.029 0 40 FEAB CCN1CCCC2(CCN(S(=O)(=O)c3sccc3C)CC2)C1=O 108527412 NFLIUKXCDAAOIK-UHFFFAOYSA-N 356.513 2.470 0 40 FEAB CCc1ccc(OC[C@@H](O)Cn2nnc(-c3cccc(OC)c3)n2)cc1 24831627 SMNJFYGZUYUZTB-INIZCTEOSA-N 354.410 2.351 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccccc1 1443611 ALEXVJQHSCHERH-UHFFFAOYSA-N 369.406 2.088 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c(C)c1 35310582 HDUOXTOLHDRTBR-UHFFFAOYSA-N 359.495 2.247 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 108057738 SORVEIYPYHVZKQ-SOUVJXGZSA-N 370.453 2.357 0 40 FEAB Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)c1 12543457 FUNHMXSCWBWJIU-UHFFFAOYSA-N 355.413 2.213 0 40 FEAB Cc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccccc1 10112925 RIKQUPZXMQIMII-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB COC[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 10032095 YUEUCPPPZZPDLM-SECBINFHSA-N 367.496 2.107 0 40 FEAB COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2ncc(C)s2)s1 44902386 KCFPKMHAVHFDDL-UHFFFAOYSA-N 354.457 2.468 0 40 FEAB CCCCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 2301011 SGWVUTPHVHWJJX-UHFFFAOYSA-N 352.334 2.183 0 40 FEAB CC[C@H](CO)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 89943541 KPBSITXSGQBJBO-CYBMUJFWSA-N 367.298 2.071 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 8427711 VUESBFKUHXRGGJ-GOSISDBHSA-N 354.454 2.055 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)o1 4351729 AUILCGXMTXEXFK-UHFFFAOYSA-N 357.318 2.077 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1Br 14102465 DDSQSHUCZLHDNA-UHFFFAOYSA-N 359.289 2.354 0 40 FEAB COc1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc(OC)c1OC 6719539 ARIRLUUAKQZWHR-NSHDSACASA-N 356.382 2.246 0 40 FEAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842608 OEAWBVPAFXLUQH-UHFFFAOYSA-N 372.402 2.208 0 40 FEAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1C 9254324 GZPAVBDQAVFZIE-UHFFFAOYSA-N 361.467 2.048 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(C)cccc2c1=O 8326739 CAKWALAWWMJMSB-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB C[C@H]1COc2ccccc2CN1C(=O)CN1C(=O)c2ccccc2C1=O 96007832 YJPZRGHUIONEAS-ZDUSSCGKSA-N 350.374 2.092 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 9503965 AGTUKGWKHFUFPG-VBKZILBWSA-N 371.437 2.007 0 40 FEAB CC(C)c1nnc(NC(=O)CCNc2nc(Cl)nc3[nH]cnc23)s1 72401410 KIKRYRRFPOXJDE-UHFFFAOYSA-N 366.838 2.422 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408587342 BOAIVWXIMSPDPF-CQSZACIVSA-N 366.483 2.369 0 40 FEAB CC(C)OCCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705762 MYDPDALRXPKNFM-UHFFFAOYSA-N 374.478 2.303 0 40 FEAB Cc1cccc(CN[C@H]2CCOC[C@@]23CC(C(=O)N2CCCCC2)=NO3)c1 306142667 XFWFXUMUMGJSBN-FPOVZHCZSA-N 371.481 2.401 0 40 FEAB COc1ccc(CCNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 1294468 ZTWNWTZCAAMEBQ-UHFFFAOYSA-N 352.390 2.225 0 40 FEAB biogenic Cc1cccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)n1 72396684 FZKMWYMIZMBGPV-GFCCVEGCSA-N 352.485 2.025 0 40 FEAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCCc2ccccc21 70641391 LCKNITSYLSSEIK-LJQANCHMSA-N 350.418 2.393 0 40 FEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217603137 OYHLXYBFJRDRGH-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB NC[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218608064 QMKUWWLTFYZCKQ-IXDOHACOSA-N 369.845 2.356 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 36182861 JOYAIZCWOPQTKL-UHFFFAOYSA-N 366.346 2.316 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1-n1cnnn1 36726303 XVKYZFYSKOZYDJ-UHFFFAOYSA-N 370.800 2.026 0 40 FEAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 72380128 SDJYTURCONLGDD-KRWDZBQOSA-N 353.470 2.062 0 40 FEAB O=C(Cc1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730841 XZBBWZWPUSUHER-UHFFFAOYSA-N 356.373 2.448 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 223275823 RWKOWAAYBIPBQN-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB O=C(c1ccnnc1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216346 KFGMWGQAQPNWRK-OAQYLSRUSA-N 366.465 2.484 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccc(F)cc1 96181674 YMFGEXMECKSTSH-ZWKOTPCHSA-N 360.360 2.180 0 40 FEAB Cc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1 96120799 DNWBHYIELMAPBV-UHFFFAOYSA-N 368.409 2.142 0 40 FEAB CC(C)CN1CCC2(CC1)O[C@H](C(=O)N1CCCCC1)Cn1ccnc12 96263113 MGQRUUQDNNXPOW-KRWDZBQOSA-N 360.502 2.242 0 40 FEAB Cc1nc(CN2CC[C@@]3(CCN(C(=O)c4cccn4C)C3)C2=O)cs1 96159459 QOWSVYSNGURRTE-SFHVURJKSA-N 358.467 2.055 0 40 FEAB Oc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)c1 248005638 STBQQPLFGCXRNQ-VPWXQRGCSA-N 366.465 2.405 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2cccnc2)cs1 248073423 YUXSQJTZIGELOA-OAHLLOKOSA-N 359.451 2.294 0 40 FEAB CCc1cc(CNC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2ccc(OC)cc2)on1 257327744 XCNPHOYCKHRJGX-MJGOQNOKSA-N 371.437 2.472 0 40 FEAB Oc1cc(C[C@H]2COCCN(c3ccc(C(F)(F)F)cn3)C2)ncn1 257244760 IMQZSAVBFBEHJY-LLVKDONJSA-N 354.332 2.292 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1ocnc1C 257212272 CCPMCSMBBZSOPI-KZNAEPCWSA-N 353.422 2.460 0 40 FEAB C[C@H]1c2nc(CC(=O)NCCc3ccncc3)cn2CCN1CC1CCC1 253591386 MWCJICOSUKWTQF-INIZCTEOSA-N 367.497 2.356 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 257292468 QLQCMGJUGYIWQF-QGZVFWFLSA-N 362.437 2.487 0 40 FEAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1 665586763 USODSBTXTSUCLC-CQSZACIVSA-N 367.471 2.384 0 40 FEAB O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[C@H](n2cncn2)C1 681600682 APAQCFUUILOWBU-NWDGAFQWSA-N 357.241 2.272 0 40 FEAB CSCc1nc(CNC(=O)c2cnc3sccn3c2=O)cs1 97594943 VVNDUJPNOXRIPZ-UHFFFAOYSA-N 352.466 2.006 0 40 FEAB Cc1c([C@@H]2[C@@H](CNC(=O)c3cscc3Cl)CC(=O)N2C)cnn1C 1615589094 GNFNCSQRIUEOCY-BMIGLBTASA-N 366.874 2.393 0 40 FEAB CNC(=O)C[C@]1(O)CCCN(Cc2cccc(F)c2Br)C1 643757911 ZBXMERFSFUMACB-OAHLLOKOSA-N 359.239 2.051 0 40 FEAB Cc1cnc(OC[C@H]2CCn3nccc3CN2Cc2cc(C)on2)nc1 585098109 UGTJWIZKEPAQFM-QGZVFWFLSA-N 354.414 2.131 0 40 FEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)CCc2nc(C)no2)C1 585276482 LZQMKKRBMMUTJW-LJQANCHMSA-N 359.426 2.316 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@H]2CCCCN2Cc2nccn2C)n1 585177435 RVHSIFRPAKOIOI-CQSZACIVSA-N 370.486 2.841 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)NC1(c2ccccc2)CCC1 44381375 UAGYQQGILSPESB-UHFFFAOYSA-N 356.451 2.411 0 40 FEAB O=C(c1coc(CN2CC[C@H](O)C2)n1)N(Cc1ccco1)C1CCCC1 685943934 NNAQURDRYXGIRD-HNNXBMFYSA-N 359.426 2.419 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](c1cccnc1)c1ncc[nH]1 658272539 PRQFXULAPSFMCW-CGTJXYLNSA-N 352.442 2.385 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 1207133887 CCEYGMZWYKPSFW-HOTGVXAUSA-N 361.467 2.044 0 40 FEAB O=C(c1cscn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156604 JOTTYNKZNRQYEP-SFHVURJKSA-N 357.435 2.181 0 40 FEAB CCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 12537268 GATFJDFTYDVMDP-UHFFFAOYSA-N 361.467 2.372 0 40 FEAB CCCN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19502647 SUFNEFILDFAMIC-GOSISDBHSA-N 370.501 2.480 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCCC2)c2nonc12)Cc1ccccn1 19717621 VZWOBYFATXPPKX-UHFFFAOYSA-N 366.425 2.289 0 40 FEAB CC(C)[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NC(N)=O 5891533 BFSQFTONWHEGJS-LLVKDONJSA-N 353.835 2.232 0 40 FEAB CNS(=O)(=O)c1ccc(CN2CCC[C@H](c3ccnc(C)n3)C2)cc1 659850204 WRPJWFVVMFYRQP-INIZCTEOSA-N 360.483 2.073 0 40 FEAB Cc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1Cl 575605358 DKLAORYAJOMZDS-OAHLLOKOSA-N 372.918 2.428 0 40 FEAB COc1ccc(C(=O)NCC2(N3CCSCC3)CCOCC2)cc1F 1888843910 XLHCMLIAKBPPDI-UHFFFAOYSA-N 368.474 2.162 0 40 FEAB CSc1nc(C)cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n1 1888866461 MKUOELBBMNJEMN-ZIAGYGMSSA-N 354.435 2.133 0 40 FEAB COc1ccc2nc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)sc2c1 1889149051 NSCYRJJETTZOFT-LLVKDONJSA-N 367.496 2.356 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1 1848352510 VDHFGUOCMPMOIU-AWEZNQCLSA-N 350.430 2.421 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cnccn3)CC2)CN1c1cccc(F)c1 2037840594 ODZFNHJPZARMAS-HXUWFJFHSA-N 370.428 2.404 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)CCN3CCCC3=O)CC2)cc1C 2037912939 FJDUNLYEZJFTCP-UHFFFAOYSA-N 374.481 2.048 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(c4ccnc(C)c4)CC[C@H]3C2)nc1 2056224963 KJLLGYNYMGASTQ-IYBDPMFKSA-N 367.453 2.177 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565551614 PRWDKUNRBYTKIK-UHFFFAOYSA-N 374.510 2.297 0 40 FEAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCCCC1 4166648 NVQYGQOSDKNAPI-UHFFFAOYSA-N 372.429 2.454 0 40 FEAB COCCNC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 4851601 AYABUVOGOBUOFG-UHFFFAOYSA-N 367.456 2.037 0 40 FEAB COc1cccc(CN2C[C@H]3OCC(=O)N(Cc4csc(C)n4)[C@@H]3C2)c1 2055750990 VIECGYJKCHZRAG-QZTJIDSGSA-N 373.478 2.072 0 40 FEAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)NC1CCCCC1 23127422 KJHOYXRGGNSFMO-UHFFFAOYSA-N 357.498 2.464 0 40 FEAB O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63367808 NHHNVIFGYCMSMZ-HOTGVXAUSA-N 368.886 2.097 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2620695 WKXLJEGGKVQYSB-UHFFFAOYSA-N 370.361 2.212 0 40 FEAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 32798112 IOEQSLWPAMFRGG-UHFFFAOYSA-N 362.407 2.008 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1 32768260 KRNUOYLNCNBHMY-KRWDZBQOSA-N 365.393 2.191 0 40 FEAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)c1 3544479 YHURLYFNRQIMOV-UHFFFAOYSA-N 357.410 2.284 0 40 FEAB Cc1ccccc1OCC(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 32810450 FQQBQJDCFMOBJE-SFHVURJKSA-N 354.406 2.256 0 40 FEAB Cc1cccc(C)c1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O 6479145 WKCUFWIEELZMSI-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB O=C(/C=C/c1cccc(F)c1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268534 JWDHIBBZXQPAOE-QPJJXVBHSA-N 363.366 2.115 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 42392738 UJDOSTDOCAAGFC-QAPCUYQASA-N 350.434 2.306 0 40 FEAB O=C(Cc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1 23640418 NCBBLWZXRNXKBF-INIZCTEOSA-N 367.287 2.315 0 40 FEAB CCOC(=O)C1=C(CSCC(=O)O)N(C)C(=O)N[C@H]1c1ccccc1 1088940 IECFOEKFGHQGMT-HNNXBMFYSA-N 364.423 2.018 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1 47225772 JNIBHFWRQSPCPN-UHFFFAOYSA-N 359.451 2.479 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1105936 SBMYLBFZMNUKCR-LBPRGKRZSA-N 355.369 2.177 0 40 FEAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCn2cncn2)c1C 56268974 MKUABKKMVGHNMA-UHFFFAOYSA-N 352.442 2.438 0 40 FEAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 25764472 NIAPNSAWYBGWMH-OALUTQOASA-N 362.514 2.346 0 40 FEAB Cc1nc2ccc(N[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2s1 12517070 PNKIIPXCEVLTNA-GXFFZTMASA-N 367.496 2.051 0 40 FEAB COCCn1nc(C(=O)Nc2ccccc2NCC(F)(F)F)ccc1=O 58209040 BCSOCUXQYGASDL-UHFFFAOYSA-N 370.331 2.116 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(OC(F)F)cc1 12690646 UNUVCEMOJOMJJU-UHFFFAOYSA-N 369.755 2.383 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 11363063 BGQDCWBOHUEIKS-UHFFFAOYSA-N 362.407 2.358 0 40 FEAB CC(=O)N[C@H](CC(=O)NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 48272411 BVPHKZLONFEOPZ-QGZVFWFLSA-N 365.861 2.034 0 40 FEAB Cc1cc(=O)nc2sc(N3CCN([C@@H](C)c4ccc(F)cc4)CC3)nn12 12764477 JSQPBFJPJHVCCY-ZDUSSCGKSA-N 373.457 2.482 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ncnc3sccc23)cc1 39502008 ZSHIVPSERFGPTM-UHFFFAOYSA-N 370.434 2.476 0 40 FEAB NC(=O)COc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1 8745840 HHFQIJHOBORSJW-UHFFFAOYSA-N 368.311 2.379 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 6787203 UVDBSMKLZBRKRY-HXUWFJFHSA-N 368.389 2.449 0 40 FEAB CC[C@H](C)n1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 6852456 JSJYYRXVJNQYLL-QWRGUYRKSA-N 362.455 2.304 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccco3)on2)cs1 18389009 YFCFAQXMRDYMFD-UHFFFAOYSA-N 354.365 2.001 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 71283711 HACVAODTVXIYQS-QWHCGFSZSA-N 371.359 2.106 0 40 FEAB O=S(=O)(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccccc1 96000669 UOQBEPGELPCKJT-MRXNPFEDSA-N 368.462 2.162 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2F)c1C 9386786 VQZVSGNJKVNENV-UHFFFAOYSA-N 362.357 2.030 0 40 FEAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 9417668 ZMVJLVCOEFHNCR-UHFFFAOYSA-N 370.361 2.157 0 40 FEAB COc1ccc(CN2C[C@H](C(=O)Nc3ccnn3C(C)C)CC2=O)cc1 72083453 NLTDCYDRUBPDQN-OAHLLOKOSA-N 356.426 2.460 0 40 FEAB COc1ccc2nnc(CCC(=O)Nc3nc4c(s3)CCCC4)n2n1 72406520 DCXYTJFPIZITAP-UHFFFAOYSA-N 358.427 2.040 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)c1 98211974 SUJWRHHNBGDOAM-HNNXBMFYSA-N 359.426 2.313 0 40 FEAB COc1ncccc1NC(=O)C(=O)N[C@H]1CCCOc2ccc(F)cc21 89420741 YHQROUQVPZCEJC-ZDUSSCGKSA-N 359.357 2.198 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686404 SKBPTQWCSDEFKK-LQZABQIISA-N 368.433 2.131 0 40 FEAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)nn12 32090532 VNROCKISTUMDIR-CYBMUJFWSA-N 354.389 2.427 0 40 FEAB Cc1nn(Cc2nn3c([C@@H]4CCCO4)nnc3s2)c(=O)c2ccccc12 71738610 SGLHQMATAZSVJM-ZDUSSCGKSA-N 368.422 2.104 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)N3CCOCC3)c1)C2=O 408722357 SSBCPPHFYYRRDT-HRAATJIYSA-N 370.449 2.475 0 40 FEAB CC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217630209 JZZCBCJCKRMGHI-RYUDHWBXSA-N 356.444 2.053 0 40 FEAB Cn1nc(NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1OC(F)F 567227260 DKXKYMBZPOYXDR-ZDUSSCGKSA-N 351.357 3.032 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)Nc1ccc2c(c1)OCO2 70930737 WWXWJINQMIYFJM-UHFFFAOYSA-N 355.398 2.243 0 40 FEAB Cc1nc(-c2ccc(N3CCN(C(=O)c4csc(C)n4)CC3)nc2)no1 44094382 QTFOKDYAUPEBHY-UHFFFAOYSA-N 370.438 2.167 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl 41156247 ZWUHWGWXUPQMFN-GFCCVEGCSA-N 365.842 2.366 0 40 FEAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 48355030 XMCPVGATGZDHDS-UHFFFAOYSA-N 366.830 2.376 0 40 FEAB Cc1ccccc1C(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1 96255913 BSJMWZKPMDSICC-UHFFFAOYSA-N 362.437 2.329 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 96242688 MBTHXIWINRYIQM-SJLPKXTDSA-N 358.438 2.187 0 40 FEAB Cc1cccc(-n2cc(C(=O)N3C[C@@H](N)CC[C@H]3C(F)(F)F)nn2)c1 583619894 VVTFBDCKPHNHMC-FZMZJTMJSA-N 353.348 2.070 0 40 FEAB Cc1cc(CC(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)no1 262061945 HESYTEHUPYRLIY-MRXNPFEDSA-N 371.393 2.244 0 40 FEAB CCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1S(C)(=O)=O 261991991 CVSRPYRESYHGAN-UHFFFAOYSA-N 353.440 2.026 0 40 FEAB CN(C)C(=O)c1cccc(CNC[C@@H]2CCCO[C@H]2c2nccn2C)c1 657300160 JSKWSHRLLMVQMU-ZWKOTPCHSA-N 356.470 2.379 0 40 FEAB Cc1cc(CNC(=O)c2cc(Br)cc3c2OCCO3)n[nH]1 668732947 NUQPOXBTGXISON-UHFFFAOYSA-N 352.188 2.182 0 40 FEAB Cn1c(O)nc2ncc(-c3cccc(C(=O)NC4CCOCC4)c3)cc21 681222403 JPZWXKVBWYKIFF-UHFFFAOYSA-N 352.394 2.250 0 40 FEAB COc1ccc(OC2CCN(c3cncc(-n4cncn4)n3)CC2)cc1 620930641 HKDUAWWLFIJJTF-UHFFFAOYSA-N 352.398 2.114 0 40 FEAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ncccc2C(=O)O)C1 647451358 VTDVUMQJHDPZAG-LLVKDONJSA-N 359.348 2.407 0 40 FEAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 57748302 DGYXOTBUHICMAY-GFCCVEGCSA-N 371.384 2.389 0 40 FEAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccccc1F 12084772 XCAKFDBUXNWMIX-CQSZACIVSA-N 357.429 2.399 0 40 FEAB O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](Sc2ccccc2)[C@H]1O 12483368 MUHKHHQRPUCQJJ-UYTYNIKBSA-N 372.446 2.454 0 40 FEAB biogenic,in-vitro O=C(c1cccnc1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13266143 DCVXHTHAGAEMBR-UHFFFAOYSA-N 362.393 2.054 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1 13580524 IOEDJCWFDIYTRV-GFCCVEGCSA-N 372.462 2.150 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4csc(C)c4)C3)ncc2C1 19571666 PAGKTURNLXEACW-AWEZNQCLSA-N 370.478 2.381 0 40 FEAB CN1CCc2nc([C@H]3CCCN3C(=O)c3cc(C4CC4)on3)ncc2C1 19590541 MZRRFYXCSPMXNX-MRXNPFEDSA-N 353.426 2.307 0 40 FEAB C[C@@H]1CCCN(c2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)C1 19717516 ZMLRSKTZWNPIRW-ZIAGYGMSSA-N 365.437 2.325 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)ncn2C 163141215 GZDVYYFPPCSUEY-UHFFFAOYSA-N 372.450 2.384 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1ccccc1C(F)(F)F 643950762 OXLXCFVYMFVPGQ-MRXNPFEDSA-N 358.360 2.002 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 3316304 OPBHGDHGWFYWDN-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1 3445257 ZKNMYNKHAIULQO-UHFFFAOYSA-N 353.488 2.140 0 40 FEAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2cnc3ccccc3n2)CN(C)C1=O 1888870174 MRNQWQUGEFHUFW-YRFPKSNCSA-N 352.438 2.377 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2sccc2C)c1 29083289 JQRFFRWHMCLKHR-UHFFFAOYSA-N 352.481 2.382 0 40 FEAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1OC(C)C 2037983710 CWIBGSDMRRJTQS-IRXDYDNUSA-N 362.470 2.162 0 40 FEAB COc1ccc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c(OC)c1 2037983753 DRNOEYFDPFVQMY-FQEVSTJZSA-N 362.470 2.163 0 40 FEAB CCCCCn1c(NCc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C 1865452 VPGRPZFSQHSVAZ-UHFFFAOYSA-N 371.441 2.234 0 40 FEAB O=C(NCCCn1ncccc1=O)Nc1ccc(OC(F)(F)F)cc1 23137413 QHSOWDWYMSXIJA-UHFFFAOYSA-N 356.304 2.354 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)O)c12 26421276 SGLGEAIFKVQQQW-CYBMUJFWSA-N 371.418 2.465 0 40 FEAB COCCN(Cc1ccoc1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 207976266 NAMGNHCUCGAHGT-YJBOKZPZSA-N 369.483 2.453 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@]1(O)CCOc2ccccc21 75158137 JHRSAZIPCAIRIA-CPSHHHPTSA-N 353.374 2.215 0 40 FEAB CCCCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 1831653 MHYSYYXGTKZGOS-VFVAKGGASA-N 354.428 2.006 0 40 FEAB biogenic C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 40047545 YHRGIPXDXCHCHS-MLGOLLRUSA-N 355.360 2.480 0 40 FEAB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1OC 20373546 CDQYJYLWMSLCKB-UHFFFAOYSA-N 356.426 2.103 0 40 FEAB c1ccc2c(c1)CCCN2c1nc(N2CCCC2)nc(N2CCOCC2)n1 1026904 NUIVYHFFHCRZNY-UHFFFAOYSA-N 366.469 2.393 0 40 FEAB COc1ccccc1[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)N(C)C 32695301 LPEJJVLNRNBNMZ-KRWDZBQOSA-N 367.453 2.252 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCCC1 3582640 OEQQHNDFZGZPOT-UHFFFAOYSA-N 368.275 2.298 0 40 FEAB O=C(O[C@H]1CCCCC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 32776939 JRODCBOMXAEVIV-JSGCOSHPSA-N 371.480 2.204 0 40 FEAB CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)COCc1nc(C)no1 89947873 FAGLIJCTTFUJIG-OAHLLOKOSA-N 361.398 2.048 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 7056996 UXXSCSMISXUVNR-UHFFFAOYSA-N 372.443 2.185 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)OCc1nnc(-c2ccccc2)o1 7563986 MNNJFYBANKXIRH-UHFFFAOYSA-N 355.325 2.349 0 40 FEAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 8155577 UYGRTKSSFWXISK-ZDUSSCGKSA-N 352.456 2.164 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)[C@@H]21 8470585 IYYAXVMNCOYEMB-XFKAJCMBSA-N 368.433 2.297 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnccn2)CC1 100750046 TUUNEGGIZFUEAW-JTDSTZFVSA-N 367.453 2.285 0 40 FEAB CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(C)cc1Br 54363430 DABWQIQDRMPRLT-MRVPVSSYSA-N 356.669 2.460 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 55946462 MKFBGYFSJFCEFS-UHFFFAOYSA-N 366.870 2.497 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)NCCCOCc2ccco2)cc1 43418822 ADGAWTPIEFYVND-UHFFFAOYSA-N 352.412 2.412 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O 25263140 NIBZYWLADMMXGG-PBHICJAKSA-N 355.438 2.460 0 40 FEAB CC[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1OCC(=O)NC 56114965 QJLQPUKHHZHDFL-INIZCTEOSA-N 362.451 2.241 0 40 FEAB NC(=O)C1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 3281837 CGNMAVJFUGJFTC-UHFFFAOYSA-N 368.462 2.349 0 40 FEAB O=C(c1ccccc1F)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108526942 QNDVQSXVKDVWER-OALUTQOASA-N 355.413 2.336 0 40 FEAB O=C(NCC(=O)N1CCCCC1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 57391754 FQSMKSTXZFVNTL-IBGZPJMESA-N 373.453 2.221 0 40 FEAB CN1CCN(CCc2ccc3c(Br)ccc(O)c3n2)CC1 59474712 MFMYHZXSKUMLQQ-UHFFFAOYSA-N 350.260 2.493 0 40 FEAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1cnn(C)c(=O)c1Cl 108488873 DPZVPHYFTCOGAG-WDEREUQCSA-N 356.854 2.268 0 40 FEAB COc1cc(CCC(=O)N2CCN(c3nccs3)CC2)cc(OC)c1 10270376 WCGALXFZMAVALG-UHFFFAOYSA-N 361.467 2.442 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)C3CC3)n2)c(OC)c1 58225067 JCGXRRQFXZIEHF-JTQLQIEISA-N 362.455 2.496 0 40 FEAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2c1C 22975641 PXEWOKOCZNOHTE-KRWDZBQOSA-N 369.465 2.496 0 40 FEAB COc1ccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1OC 2246152 ZJZGNWYGVOZXTP-DHDCSXOGSA-N 369.402 2.284 0 40 FEAB CC(C)[C@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 10612269 IUTUVJIFHGNRHJ-INIZCTEOSA-N 364.829 2.220 0 40 FEAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)C(=O)N(C)C)c12 48290743 PGAUMYPUSUEXTR-LBPRGKRZSA-N 352.394 2.405 0 40 FEAB Cc1cc(COC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)no1 28993136 OQYUTNBAYINWFO-VMPITWQZSA-N 362.407 2.280 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(-n2cccn2)c1 48326917 STRPLFHMQHLWST-UHFFFAOYSA-N 360.381 2.170 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1c(Cl)cccc1Cl 12818770 PYGXJMIEPZXTOR-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB COc1ccccc1C(=O)NC(=O)CSc1nnc(SC)s1 3552098 OUBMKYKTCTWMKW-UHFFFAOYSA-N 355.466 2.317 0 40 FEAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c(C)c1C 8719443 RIPOLRKQYJFARQ-INIZCTEOSA-N 352.500 2.470 0 40 FEAB O=C(NOCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 8777722 AMGZOUHXQGIDGZ-UHFFFAOYSA-N 374.462 2.335 0 40 FEAB Cc1c(C)c(C)c(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)c1C 39513979 ZZFQDKDXFOXDRP-UHFFFAOYSA-N 360.454 2.109 0 40 FEAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccc1 408709376 RSSMPVVHLSASBQ-UHFFFAOYSA-N 353.422 2.122 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1 14161059 GNMHMSSYUWJZQR-QGZVFWFLSA-N 374.462 2.348 0 40 FEAB CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)N(C)C(C)(C)C1 4577304 WKCGRYLMXMUMAT-UHFFFAOYSA-N 356.474 2.386 0 40 FEAB COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc(Cl)c1OC 5429571 OMHJWEHWNJDELM-UHFFFAOYSA-N 354.746 2.449 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)C1 4721848 JLCANQGLAATBTK-ROUUACIJSA-N 372.513 2.405 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 14853161 RWBPYQXHYLODMU-UHFFFAOYSA-N 357.410 2.221 0 40 FEAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COc1ccc(F)cc1)C2=O 15235548 BSFGHGDAHFIPQH-HZEYSBKDSA-N 350.390 2.066 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 24680186 LRFJJCDCOSUCCP-ZDUSSCGKSA-N 356.513 2.171 0 40 FEAB CC(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccccc21 8346304 FEYYTJHJYWQKEU-GOSISDBHSA-N 354.362 2.210 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC(C)C 8393279 IRTRHKNXASPSDD-UHFFFAOYSA-N 354.472 2.391 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H]1C1CCCC1)c1c[nH]c2ccccc2c1=O 84587584 ARRKNJPHUZWLLO-GOSISDBHSA-N 367.449 2.439 0 40 FEAB CC(=O)NCCCNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 84753080 RJYTXMORJHQCIG-CQSZACIVSA-N 358.225 2.129 0 40 FEAB COc1ccc(Br)c(C(=O)N2CCOC[C@H]2c2ncon2)c1 95981421 HPWXMRFZKALNCM-LBPRGKRZSA-N 368.187 2.054 0 40 FEAB CN1C(=O)C[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[C@@H]1c1ccccc1 79188556 REZBKXLWJJWOSH-NZGUISNBSA-N 356.466 2.360 0 40 FEAB COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)n[nH]c1C 79473662 RNTCODHXVWYJND-NSHDSACASA-N 350.371 2.145 0 40 FEAB O=C(CN1CCN(Cc2csc(-c3cccs3)n2)CC1)NC1CC1 23249353 KSTBHDBQQJESAT-UHFFFAOYSA-N 362.524 2.268 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1 4332842 ZRAYKHMCVZNXGP-UHFFFAOYSA-N 354.453 2.046 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c1 1519825549 MJCBWEAWUNQRDR-OAHLLOKOSA-N 354.410 2.400 0 40 FEAB CC(C)NC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1cnn(C(C)C)c1)CC2 306135583 OVFATTPQHJNWAM-OAHLLOKOSA-N 358.490 2.304 0 40 FEAB Cc1nc(COCC[C@@H]2CCOC23CN(S(=O)(=O)C(C)C)C3)cs1 306123559 AQCMRJVIQHSPQM-CQSZACIVSA-N 374.528 2.187 0 40 FEAB Cc1cc(CN2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)n(C)n1 306143101 XTIDCQKURCYEIA-KRWDZBQOSA-N 355.486 2.099 0 40 FEAB COc1cc(OC)cc(OCC(=O)N2CCN(c3ccccc3)CC2)c1 218886902 BOOIPNROCRSKTJ-UHFFFAOYSA-N 356.422 2.431 0 40 FEAB NC(=O)C1CCN(CCCCNC(=O)c2csc3c2CCCC3)CC1 32915968 QYLCPNCYTZNRIK-UHFFFAOYSA-N 363.527 2.334 0 40 FEAB Cn1[nH]c(CN2CCC(COc3ccccc3C(F)(F)F)CC2)nc1=O 563848583 DGJBLENQCABSMH-UHFFFAOYSA-N 370.375 2.418 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccncc1)CC(O)=N2 40266525 FANYPJQJUGEVCF-CYBMUJFWSA-N 360.381 2.445 0 40 FEAB CCCNc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 192576090 BBKBKTFAHGBHAC-SFHVURJKSA-N 374.485 2.041 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 96039533 GBBGCHHUUPUUDK-PKOBYXMFSA-N 350.459 2.178 0 40 FEAB CCOc1ccc(NC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)cc1F 576894899 WGSJTRJRDDTDGC-ZDUSSCGKSA-N 374.416 2.372 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccccn2)COC1 96112748 ADEMRPQRHPZGFK-HNNXBMFYSA-N 352.394 2.079 0 40 FEAB biogenic,in-vitro O=C(NC[C@]12COC[C@H]1CN(Cc1ccccc1F)C2)c1cccnc1 96108510 KHJQOMHFAAPKGC-XLIONFOSSA-N 355.413 2.099 0 40 FEAB COc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96240847 ASBZHEHMYKWCAZ-GOSISDBHSA-N 372.465 2.090 0 40 FEAB COCCN1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96261914 IMUPWFPRXXTKJG-HXUWFJFHSA-N 372.490 2.439 0 40 FEAB O=C(O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(Cc1ccco1)C2 96185210 FWNXCXDNWIIQAR-JXFKEZNVSA-N 355.438 2.473 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCc2ccncc2)C1 247860782 MPKCZPFJSXNJEZ-SFHVURJKSA-N 352.394 2.041 0 40 FEAB Cc1csc(-c2cccc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n1 257252520 JVBBQOLQSZVSER-ZDUSSCGKSA-N 366.512 2.184 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1OC 257269037 MOHWHRCCIOKKCB-APWZRJJASA-N 362.470 2.394 0 40 FEAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257262427 LLJNKHIOKXXHHB-HNNXBMFYSA-N 359.430 2.011 0 40 FEAB COCCOc1cnc(-c2noc([C@H]3COc4cc(F)ccc4C3)n2)cn1 624559558 PAHKGWNXACANOH-GFCCVEGCSA-N 372.356 2.410 0 40 FEAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ncc(C(=O)O)s1 621609639 QSRYPWBMRRZYQJ-JTQLQIEISA-N 359.407 2.459 0 40 FEAB Cc1noc([C@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@@H](C)O2)n1 628856919 LDRMBDIDYWVEED-MLGOLLRUSA-N 355.398 2.106 0 40 FEAB CCn1cnc2c1CCN(C(=O)c1cnn(C3CC3)c1)C21CCOCC1 1775962919 WIKGYHHPKQXNNI-UHFFFAOYSA-N 355.442 2.139 0 40 FEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](S(C)(=O)=O)CC1 669697214 QPBBDEJLYHTVRP-RDJZCZTQSA-N 364.511 2.253 0 40 FEAB Cc1ccc(OC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C2)cc1 585273465 VRZWTPQCFIXVAF-NRFANRHFSA-N 357.450 2.382 0 40 FEAB CS(=O)(=O)Nc1ccc(CN(CCc2ccccc2)CC(=O)O)cc1 585140024 XIRSGRIVWJCHDO-UHFFFAOYSA-N 362.451 2.187 0 40 FEAB O=S(=O)(Nc1cccnc1-n1cncn1)c1ccc2c(c1)CCCC2 58441027 BDZVCQXMMNBCPP-UHFFFAOYSA-N 355.423 2.342 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2O)CC1 58087146 SKJIMOUZUBESGT-UHFFFAOYSA-N 363.458 2.065 0 40 FEAB CCOC(=O)[C@@H](Sc1nnc(-c2c(C)nc3ccccn23)o1)C(C)=O 5646068 RHQMOJXXCSOKQL-ZDUSSCGKSA-N 360.395 2.306 0 40 FEAB CCS(=O)(=O)N1CCC(c2nc(C)ncc2-c2cc(C)no2)CC1 12118337 BWEKGHSCIBTQHK-UHFFFAOYSA-N 350.444 2.278 0 40 FEAB CC(=O)O[C@H]1OCCO[C@@H]1NC(=S)Nc1cccc(C(F)(F)F)c1 13685866 RSMCQGMWTWXNOG-NWDGAFQWSA-N 364.345 2.254 0 40 FEAB C[C@@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@@H](C)O1 19497699 ZVFPYESHZVWJOM-IAGOWNOFSA-N 359.518 2.150 0 40 FEAB COc1ccc2cc(CN3C[C@@H]4CCCN4C[C@@H]3CCO)c(OC)nc2c1 19563966 KYCUZRUUWPFQBY-ROUUACIJSA-N 371.481 2.283 0 40 FEAB Cc1nn(C(C)C)cc1S(=O)(=O)NCCc1nc2ccccc2n1C 19583324 OHUYXHKUKKUMMS-UHFFFAOYSA-N 361.471 2.180 0 40 FEAB Cc1nc2cc(NC(=O)CN3CCC[C@H]3Cn3cccn3)ccc2n1C 19658003 HPYNOSCAGBZUHD-INIZCTEOSA-N 352.442 2.181 0 40 FEAB O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(-n2cccn2)nc1 19716576 RMLJDIAEFNYXEF-UHFFFAOYSA-N 362.437 2.057 0 40 FEAB NCCCOCCOCCOCCCNC(=O)O[C@H]1CCC=CCCC1 606235283 ZWCIHUBGBBHCSO-SFHVURJKSA-N 372.506 2.390 0 40 FEAB CCCCCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC 4368692 OJFRSFNXXWGLRB-QGZVFWFLSA-N 371.441 2.283 0 40 FEAB COCCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 5016211 UUGJSBNOTBHQLH-UHFFFAOYSA-N 361.467 2.194 0 40 FEAB CN(C1CCN(c2ccnc(C(F)(F)F)c2)CC1)S(=O)(=O)C1CC1 2087139490 BVFSZOOCZFPUPP-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB CCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940638 KJLMARHKTAXGPL-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccco1 8769612 JWEYSPVBDHVRDQ-UHFFFAOYSA-N 367.405 2.360 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c(OC)c1 8896422 CYFGFMCQBNOILY-AWEZNQCLSA-N 370.496 2.347 0 40 FEAB COc1cc(C)ccc1S(=O)(=O)NCCOc1ccc2c(c1)OCO2 23143712 YEBOSEIZWVIKQL-UHFFFAOYSA-N 365.407 2.090 0 40 FEAB Cn1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccn2C)cn1 211093357 MUSSTDJAPGHBIT-UHFFFAOYSA-N 350.469 2.211 0 40 FEAB O=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 206629196 JWCWFYGAJZSHHG-OAHLLOKOSA-N 370.405 2.026 0 40 FEAB O=C(NCCOc1ccccc1)NC[C@@H](OCCO)c1ccsc1 575619509 GIVUIXHBXSRIJK-MRXNPFEDSA-N 350.440 2.176 0 40 FEAB C[C@]1(c2cccc(NC(=O)COc3ccccc3Cl)c2)NC(=O)NC1=O 40110920 XGMLQVOSTVMHTI-GOSISDBHSA-N 373.796 2.412 0 40 FEAB COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)c1OC 45896084 XYHLSSAHIIBLIO-CQSZACIVSA-N 373.413 2.321 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(Cl)nc3)nc2c1 8424687 JKYKHFOCSLKMLX-UHFFFAOYSA-N 373.752 2.115 0 40 FEAB O=C1CN(C(=O)CCNC(=O)c2ccccc2Cl)c2ccccc2N1 2653993 NNPAMIKAEOIPHU-UHFFFAOYSA-N 357.797 2.445 0 40 FEAB CCN(Cn1nc([C@H]2CCS(=O)(=O)C2)n(C)c1=S)C1CCCCC1 32781599 PJVKPZQLGHFIBF-ZDUSSCGKSA-N 372.560 2.465 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 32843598 UIMNLQSKEYTQOM-SFHVURJKSA-N 358.463 2.196 0 40 FEAB Cc1cc(N2CCOCC2)nc(SCc2nc3ccccc3[nH]c2=O)n1 6412828 NCZDCIWZHIKDSJ-UHFFFAOYSA-N 369.450 2.150 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6945398 VMIIDNYAIQDDAV-UONOGXRCSA-N 356.488 2.447 0 40 FEAB COC(=O)Cc1c(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1O 102718377 MWEUBHYDQINHBY-UHFFFAOYSA-N 371.393 2.451 0 40 FEAB CCn1c(=O)n(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)c2ccccc21 10236660 TWSSIFFGRMRYAZ-UHFFFAOYSA-N 355.394 2.437 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CN1CCN(c2ccccc2O)CC1 57085568 IJAAPPAAQKBVFQ-UHFFFAOYSA-N 362.433 2.396 0 40 FEAB Cc1cccc(N2CCN(C(=O)COC(=O)c3c(C)noc3C)CC2)c1C 8563036 QQIHSYVFWFYKMG-UHFFFAOYSA-N 371.437 2.414 0 40 FEAB COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1c(CO)nc2ccccc21 23387550 MIDCMLGIDYPYOR-HNNXBMFYSA-N 370.405 2.180 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3sccc3c2=O)c1 17480255 IEJJZYTULDEDRG-UHFFFAOYSA-N 357.391 2.192 0 40 FEAB CCOc1cccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 56493936 AEFWAZPBYACJCD-GOSISDBHSA-N 350.484 2.023 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)NC[C@H]1COc2ccccc2O1 26303239 GLVXRTJFDIJINZ-INIZCTEOSA-N 368.437 2.321 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cn1 12551534 VDFBRZLBZYQTOW-CYBMUJFWSA-N 355.394 2.399 0 40 FEAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12549714 HWBIUOJYKFMSRM-XJKSGUPXSA-N 372.490 2.384 0 40 FEAB O=C1OCCN1c1cccc2c1CCN(C[C@H](O)COc1ccccc1)C2 75917176 YETZUKCONLXHPS-KRWDZBQOSA-N 368.433 2.441 0 40 FEAB CC(C)CNC(=O)COC(=O)c1ccc(I)cc1 3253549 XVMTWKXNFFCPHZ-UHFFFAOYSA-N 361.179 2.220 0 40 FEAB O=C(NCCNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1cccnc1 77552992 YKUITXUZIIFDSU-MRXNPFEDSA-N 370.428 2.225 0 40 FEAB Cn1c(SCCn2ccccc2=O)nc2sc3c(c2c1=O)CCC3 58434649 AUJVNRZNXWSPJF-UHFFFAOYSA-N 359.476 2.438 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 48286204 CTASWINLHHUELI-GOSISDBHSA-N 354.454 2.059 0 40 FEAB CCCc1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)[nH]1 11034159 BZMLTVHIHNEVDT-UHFFFAOYSA-N 363.462 2.337 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1C 3517468 NJGNIYUYJQHZOG-GFCCVEGCSA-N 350.415 2.412 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(Cl)cc2)C1=O 13100196 XDVYOTBWUFZKHX-GOSISDBHSA-N 357.797 2.381 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 8750962 YANQUVQVHHLVEH-UHFFFAOYSA-N 370.340 2.240 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N3CCCCC3)CS[C@H]21 4073900 RPIUSMDFIMDROA-KPZWWZAWSA-N 362.451 2.286 0 40 FEAB biogenic COc1ccc(CCNC(=O)c2c(N)n(C)c3ccccc3c2=O)cc1 5031522 YFUOFHJATVNEPF-UHFFFAOYSA-N 351.406 2.102 0 40 FEAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Cl)ccc3OC(=O)[C@@H]21 13831869 GLRLETCXFWLLIY-KHQFGBGNSA-N 369.807 2.316 0 40 FEAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2 8919279 ZDIRAHAOAZRORV-UHFFFAOYSA-N 354.362 2.375 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(c2ccccc2)CC1 8990383 VJJNPGFDHGUKPG-UHFFFAOYSA-N 351.454 2.042 0 40 FEAB Cc1ccccc1C1(CNC(=O)C(=O)c2c(C)nn(C)c2C)CCOCC1 65766835 NUQONYAEVPGTRV-UHFFFAOYSA-N 369.465 2.393 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1 6646230 FSKCWQRLCYVXIW-RDJZCZTQSA-N 370.336 2.135 0 40 FEAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1nccs1)C(F)(F)F 5742583 CQGBMWAGVAVICU-AWEZNQCLSA-N 373.356 2.346 0 40 FEAB O=C1COc2ccc(C(=O)COC(=O)CCOc3ccccc3)cc2N1 4948027 IXDZQJTVVQMAFH-UHFFFAOYSA-N 355.346 2.213 0 40 FEAB O=C(Cn1cnnn1)/N=c1\sccn1Cc1ccc(Cl)cc1Cl 15652093 YSGUJQBHZNSWCS-LGMDPLHJSA-N 369.237 2.019 0 40 FEAB CN(CCOc1ccccc1)CC(=O)N(C)Cc1ccc2c(c1)OCCO2 16046822 XNICSAFXIKNHNX-UHFFFAOYSA-N 370.449 2.427 0 40 FEAB O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7971153 OCRXZKMUYPTATD-UHFFFAOYSA-N 354.447 2.285 0 40 FEAB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(C)=O)C(F)(F)F 9302631 OOSIUZMOOOROPS-OAHLLOKOSA-N 362.348 2.046 0 40 FEAB C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccccc1 8311933 MUHJSZSXIZAGRR-STXHMFSFSA-N 357.454 2.407 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(Cl)cc1 8328987 MOFLYXFXTVPYHJ-UHFFFAOYSA-N 363.845 2.253 0 40 FEAB CCc1ccc(CN(C)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 8329056 SAFBCFUXJXAEAV-UHFFFAOYSA-N 357.454 2.462 0 40 FEAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CN(C)C(=O)c1cccs1 72309942 IDKOJHYHHYXDDX-OAHLLOKOSA-N 374.462 2.111 0 40 FEAB Cc1sc2ncnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2c1C 72312268 NYGAAOFMPDNQNH-KRWDZBQOSA-N 359.455 2.123 0 40 FEAB COC(=O)c1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1C(C)C 79492003 XGJFUKZQVDLJEK-UHFFFAOYSA-N 372.410 2.281 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)cnc1Cl 89591531 WPMIPZAAJBQSBB-UHFFFAOYSA-N 358.769 2.121 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1 30581658 IBXBZNLEODFMER-UHFFFAOYSA-N 358.419 2.401 0 40 FEAB CCc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)cc1 306135271 OMDJDZDZECAPOP-ZWKOTPCHSA-N 367.497 2.283 0 40 FEAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217470466 ALCHVFHFEKQSQH-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB CCOCCCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955353 HVTAGVIUWDGCDV-UHFFFAOYSA-N 372.469 2.491 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccc(C)c3)no2)CC1 41184454 GZBSIVGICRDKGN-UHFFFAOYSA-N 372.425 2.278 0 40 FEAB COc1ccc([C@@H](C)N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46087967 SDSAHGVQXKODDG-CYBMUJFWSA-N 354.410 2.039 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)N2 40386723 ZBSPLOZYFQXRCN-SECBINFHSA-N 369.303 2.082 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224129310 JUUYIFVXUYRPPR-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccno3)cs2)CC1 44921981 NMSPDSAUPNAOJS-UHFFFAOYSA-N 370.452 2.367 0 40 FEAB O=C(C1CCOCC1)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 96051914 HWSBPBAXGGXSAA-FXAWDEMLSA-N 360.454 2.285 0 40 FEAB CCC(=O)N1CC[C@]2(COCc3c(C)nc(NCc4ccco4)nc32)C1 96244624 BQSLOOZTGHPASE-LJQANCHMSA-N 356.426 2.400 0 40 FEAB CN1C[C@H](NC2CCC2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113467 NQSRDQSJPLIOOE-IEBWSBKVSA-N 372.513 2.199 0 40 FEAB biogenic,in-vitro Cc1ccc(NC(=O)c2cnc3ccccn23)cc1C(=O)N1CCOCC1 579542165 LVQRZXCKOIPNEN-UHFFFAOYSA-N 364.405 2.367 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)cc1 248166252 ZYSLPBZBZZYRDV-GOSISDBHSA-N 368.481 2.140 0 40 FEAB Cn1cnc(CN2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)c1 257210706 BVUOXUGSLUYMGS-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@@H]1COCCN1C1CCCC1 585139497 FANMQXMEGUXTKQ-MSOLQXFVSA-N 360.454 2.270 0 40 FEAB COC(C)(C)C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O 257287648 PQYMWQZBHFURQP-KRWDZBQOSA-N 358.482 2.494 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ncc[nH]2)CCO1 257303124 SFWGXAXHPQLHIZ-CYBMUJFWSA-N 371.466 2.295 0 40 FEAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 267608066 KJVCQYRTTKLCHN-YCINEILWSA-N 351.394 2.098 0 40 FEAB COc1ccccc1N1CCN(C(=O)Nc2ccc3nc(C)nn3c2)CC1 281048892 WRXTTXCRLCLAMH-UHFFFAOYSA-N 366.425 2.400 0 40 FEAB COc1cc(CNC(=O)Nc2cccc([S@@](C)=O)c2)cc(OC)c1O 609808206 LQVLPHXPMRWGLH-RUZDIDTESA-N 364.423 2.469 0 40 FEAB Cc1ccc(C)c(C(=O)N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)c1 643927868 NNPAKPHMPXTEGT-MRXNPFEDSA-N 356.426 2.306 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC 96121401 GXPBVYXOYUCXOU-CSKARUKUSA-N 371.441 2.278 0 40 FEAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 390828551 RVHHZUYFPFNZKT-CQSZACIVSA-N 355.394 2.158 0 40 FEAB C[C@@H](CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 299615362 VUKCICXLWBAIHW-HOTGVXAUSA-N 367.515 2.151 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@H]21 585109411 NQKFTUHJBJTTMO-AOIWGVFYSA-N 370.474 2.223 0 40 FEAB CC(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n(-c2ncccn2)n1 595281200 JOSDKUSWCONGAX-CYBMUJFWSA-N 370.457 2.371 0 40 FEAB CC(=O)N[C@H](ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl 5662986 ABRCGZKQANLGTM-LLVKDONJSA-N 353.589 2.176 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NC(=S)Nc1ccc(Cl)cc1 5685316 OYBQGDZETAWEHN-UHFFFAOYSA-N 373.821 2.449 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859040 PHQUVNZHPNRIJE-KWBADKCTSA-N 366.723 2.124 0 40 FEAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)CCC2 12114511 NMDAIDPMEVWPII-UHFFFAOYSA-N 351.450 2.492 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 13572952 ZOXZTVVYASKWLB-YRDWMISXSA-N 369.465 2.170 0 40 FEAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 19572241 HGTYQKSLVRJEJR-KRWDZBQOSA-N 368.412 2.394 0 40 FEAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc(OC)c1OC 19930628 YMFBNQUFGILFPZ-UHFFFAOYSA-N 374.397 2.367 0 40 FEAB CCOCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 9053374 JGDLOUXYXFCRCS-UHFFFAOYSA-N 354.863 2.380 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1 19655015 HTRGJOGVFBGKRC-KRWDZBQOSA-N 370.844 2.348 0 40 FEAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1F 19854365 IFPDULKHGAJCLO-UHFFFAOYSA-N 373.369 2.230 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)n1nc(C(F)(F)F)ccc1=O 1888913488 IZRCTIZQPCQCRA-JTQLQIEISA-N 355.316 2.148 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1565542220 BPHUYKWDBYLBGO-RXVVDRJESA-N 367.424 2.238 0 40 FEAB Cc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1C 4497723 ARUDGBNPKYWQQH-CYBMUJFWSA-N 350.465 2.449 0 40 FEAB COc1cccc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)c1 4518856 GHOPJNFWPCTKCA-UHFFFAOYSA-N 373.390 2.288 0 40 FEAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2)N2CCN(C)CC2)cc1 22579272 WAAOWWKXNDVTIY-HXUWFJFHSA-N 373.522 2.262 0 40 FEAB COc1cccc(S(=O)(=O)N2CCCN(C3CCSCC3)CC2)c1 1775968070 MZLPYSGXRFEWFS-UHFFFAOYSA-N 370.540 2.287 0 40 FEAB Cc1cc2ncc3c(n2n1)CC[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)C3 618256543 JQTNOUNPOAFGKI-ZDUSSCGKSA-N 362.393 2.308 0 40 FEAB COC[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1 575605724 DCDHTNOQLFDPRA-KRWDZBQOSA-N 369.870 2.461 0 40 FEAB O=C([C@@H]1CCCN(c2ncnc3cnccc23)C1)N1CCC(F)(F)CC1 2298047900 ZKUASVJIKBSWCL-CYBMUJFWSA-N 361.396 2.499 0 40 FEAB CN1C(=O)C(=C(Nc2ccccc2)Nc2ccccc2)C(=O)N(C)C1=O 20004258 OUVSWIZTWVAGBL-UHFFFAOYSA-N 350.378 2.473 0 40 FEAB Cc1cccc(C(=O)NC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 100747727 CGJUPDFDFDIZAK-GDBMZVCRSA-N 367.474 2.291 0 40 FEAB Cn1cc(C(=O)NCCNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 32073924 CTDCUWUIZZYDHA-UHFFFAOYSA-N 365.389 2.067 0 40 FEAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 51467207 LRCBUCDNPUMTNF-HNNXBMFYSA-N 364.511 2.355 0 40 FEAB CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)Cc1ccco1 20689251 HOLPCHUIYFMXBC-UHFFFAOYSA-N 356.831 2.407 0 40 FEAB COc1ccccc1-n1c(NN)nc2ccc(Br)cc2c1=O 1629203 AMQKEVGCGAKCJL-UHFFFAOYSA-N 361.199 2.442 0 40 FEAB Cc1ccc2nc3c(c(C(=O)N[C@H]4CCS(=O)(=O)C4)c2c1)CCCC3 32784437 IKICFLHKMVGUEZ-ZDUSSCGKSA-N 358.463 2.339 0 40 FEAB Cc1cccn2c(=O)cc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)nc12 32764326 YRUGDEDKSQKXFX-UHFFFAOYSA-N 362.433 2.266 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 6880389 MXQXDNCVQJLLDJ-UHFFFAOYSA-N 354.472 2.203 0 40 FEAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7216565 IJSNEDCOCFGVMU-MRXNPFEDSA-N 373.540 2.426 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCCC1 32975794 DILPJUIQUGPJMT-UHFFFAOYSA-N 353.440 2.071 0 40 FEAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NC[C@H]1CCCO1 8272563 ANBCLEGXHBXWCA-CQSZACIVSA-N 356.422 2.499 0 40 FEAB CC(=O)N1CCN(c2c(Cl)cccc2[C@H]2C[C@H](C(=O)O)CC2=O)CC1 57328063 OGIBCCFIJGKECM-GXTWGEPZSA-N 364.829 2.156 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)[C@H]1C[C@H]3CC[C@H]1C3)C2=O 103434381 RUTXBEPHCXLYSC-ULNHCXFQSA-N 361.486 2.428 0 40 FEAB CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 53670856 IBODYGUQCKNNQK-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB Cc1ccc(NC(=S)NCc2ccco2)cc1S(=O)(=O)N(C)C 7517374 WWBMPNDOWKMYJP-UHFFFAOYSA-N 353.469 2.325 0 40 FEAB COc1ccc(N[C@@H](c2ccccn2)c2oc(CO)cc(=O)c2O)cc1 1236062 NIPHERLMSJVLCU-KRWDZBQOSA-N 354.362 2.443 0 40 FEAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 12595295 UCBWGILQAJJYLL-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 56906510 WKSWGBIPTLSRDE-GFCCVEGCSA-N 354.815 2.198 0 40 FEAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1 3281119 FOJNITRPTGUFFX-UHFFFAOYSA-N 372.421 2.055 0 40 FEAB Cc1nn(Cc2ccccc2Cl)c(C)c1S(=O)(=O)N1CCOCC1 58077944 HJLYLRJQDDTKAZ-UHFFFAOYSA-N 369.874 2.223 0 40 FEAB CCCNC(=O)c1nn(CC)cc1NS(=O)(=O)c1ccc(C)cc1 28236354 UQNDHZGCMFTIME-UHFFFAOYSA-N 350.444 2.152 0 40 FEAB CC1CCN([C@@H](CNC(=O)c2ccc(=O)n(C)n2)c2cccs2)CC1 27574933 AVWCGHBBRCRHDH-HNNXBMFYSA-N 360.483 2.045 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 58224632 ZFZUSKDCPTXMNA-LBPRGKRZSA-N 358.394 2.221 0 40 FEAB CCc1ccc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)s1 58201717 VTBVNBBLNITPGM-UHFFFAOYSA-N 373.521 2.334 0 40 FEAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 23977675 OHSSWAZGALBUJK-GOSISDBHSA-N 364.442 2.178 0 40 FEAB CC(=O)[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C(C)C 10743724 DGBWXMSKJNBGRY-LBPRGKRZSA-N 352.740 2.250 0 40 FEAB Cc1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 59004565 AVPQXNIUQRAYEN-PKOBYXMFSA-N 371.408 2.382 0 40 FEAB CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1Cl)N1CCOCC1 12774867 ADQGWBUVEFBJDP-AWEZNQCLSA-N 360.907 2.365 0 40 FEAB CC(C)C[C@H](CNS(=O)(=O)c1ccccc1Cl)N1CCOCC1 12774873 ADQGWBUVEFBJDP-CQSZACIVSA-N 360.907 2.365 0 40 FEAB O=Cc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 45796071 LGSZVJMQETZBPT-UHFFFAOYSA-N 353.451 2.464 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 48309341 VDDUFZGQSUGINY-HXUWFJFHSA-N 371.525 2.396 0 40 FEAB NC(=O)c1cccnc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12888781 DJCDGEVRKHYOEF-UHFFFAOYSA-N 368.481 2.046 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)CCNC(=O)c3ccsc3)cc2NC1=O 12921351 NRIASYIKMBOBLR-SNVBAGLBSA-N 359.407 2.226 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCN1C(=O)CCC1=O 12959215 BYRTUNZSZXAKQS-NSHDSACASA-N 366.801 2.058 0 40 FEAB C[C@@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12935355 JOFMVOLPXHUIDO-GFCCVEGCSA-N 368.455 2.175 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)CN(C)CCC(F)(F)F 69919814 HPEPRZDTNVDZDW-UHFFFAOYSA-N 364.364 2.213 0 40 FEAB COc1ccccc1CNC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14161475 VYKSISWMLDELOO-AWEZNQCLSA-N 367.405 2.169 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 14256940 MLMSFCLTVBGRAO-UHFFFAOYSA-N 370.434 2.389 0 40 FEAB CCC[C@H](C)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 14634405 OUMOKUMBWGFQQV-AWEZNQCLSA-N 355.456 2.007 0 40 FEAB CC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9112471 IVWKWUUZLWYUIF-UHFFFAOYSA-N 351.406 2.467 0 40 FEAB CN(C(=O)c1ccn(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 76498341 VKPNXVGGJGWXPA-IAGOWNOFSA-N 361.467 2.300 0 40 FEAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1c(O)cc(F)cc1F 84522467 UVZLEABZHMFFFA-MRXNPFEDSA-N 362.376 2.474 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cccc2ccccc12 84598271 BLIHGTKTNSHVCK-RBUKOAKNSA-N 372.490 2.221 0 40 FEAB O=S(=O)(Cc1ccccc1)NCc1ccccc1CN1CCC(O)CC1 95459900 IELFXRVZFHKJPY-UHFFFAOYSA-N 374.506 2.263 0 40 FEAB C[C@@]1(C(=O)N2CCc3cncnc3C2)CCCN(C(=O)c2ccccc2)C1 95401651 NKEFTDDREPHMOM-OAQYLSRUSA-N 364.449 2.304 0 40 FEAB Cc1cc(OCC(=O)O)ccc1NC(=O)COCCOc1ccccc1 95425241 RNKGOAXRJVBFFX-UHFFFAOYSA-N 359.378 2.493 0 40 FEAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 95441707 HFQVSPHRZWDFME-CYBMUJFWSA-N 370.413 2.071 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1C 9974566 HKTMRXIUTXNUJA-HNNXBMFYSA-N 366.483 2.027 0 40 FEAB Cc1nc(CNC(=O)COc2ccc3ccc(=O)oc3c2)c2n1CCCC2 89708957 QVSNHXLCBPXWBY-UHFFFAOYSA-N 367.405 2.329 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 22271886 OBIIVXBPCVLFFV-AWEZNQCLSA-N 362.451 2.193 0 40 FEAB CC(=O)c1cccc(N(CC(=O)N(C)C2CCCCC2)S(C)(=O)=O)c1 20490833 XPHGVJSLOLBUDZ-UHFFFAOYSA-N 366.483 2.446 0 40 FEAB COc1cc(/C=C/C(=O)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc1O 35859102 OEJOTRCRBCKZAL-PFWMLDTASA-N 374.345 2.064 0 40 FEAB biogenic,in-vitro O=C(NCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O 79483010 BCTDXAGJQDFKGK-UHFFFAOYSA-N 353.769 2.154 0 40 FEAB C[C@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)N1CCCCC1 72390304 YTDSIMNNTIKVIH-CYBMUJFWSA-N 365.861 2.056 0 40 FEAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OCC(=O)O)c1 566288656 KUQVKUOOWMAAQL-MQVJKMGUSA-N 369.421 2.434 0 40 FEAB O=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2C(=O)Nc3ccccc3N2C1 225627702 YUABPFYSWACUIN-CXAGYDPISA-N 371.824 2.435 0 40 FEAB Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c(C)c1 224358128 VHFLXSAHMXQBPP-UHFFFAOYSA-N 355.442 2.248 0 40 FEAB O=S(=O)(Cc1cc(F)ccc1F)N1CCC[C@@H](Oc2cnccn2)C1 225477799 GVOLSERPYBUZFN-CQSZACIVSA-N 369.393 2.128 0 40 FEAB CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)s1 222745109 RVJARBLXTLJTSX-UHFFFAOYSA-N 372.497 2.217 0 40 FEAB COc1cc(N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)ncn1 96106888 SCNXETLSJCCKOH-INIZCTEOSA-N 356.426 2.225 0 40 FEAB Cn1c(C[C@H]2CN(Cc3cnc[nH]3)CC[C@H]2CC(=O)O)nc2ccccc21 514290392 XUKJEMVRFGMDKV-GJZGRUSLSA-N 367.453 2.452 0 40 FEAB biogenic,in-vitro CCn1nc(C)c(NC(=O)c2nnn(Cc3ccccc3)c2OC)c1C 96183448 OJUKNEJSFXALDV-UHFFFAOYSA-N 354.414 2.421 0 40 FEAB Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)c2ccncc2)C3)n1 96108935 IJRXVZUJEDCDQE-XLIONFOSSA-N 353.422 2.090 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)c1cccnc1 96205941 KEBLGAMDFLOUAQ-MAUKXSAKSA-N 358.467 2.092 0 40 FEAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1cccs1 247885206 WUEAVKQPEIGSAP-INIZCTEOSA-N 360.483 2.187 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)c1ccncc1 247397004 MKKARZDJQLVSJK-BHIYHBOVSA-N 355.413 2.098 0 40 FEAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)c1 248057246 SSWXALSOMDTMHH-LJQANCHMSA-N 356.470 2.382 0 40 FEAB CC(=O)NC1CCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1 257276033 NSCIDDMOKDBKIC-UHFFFAOYSA-N 362.445 2.292 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2ccccc2C)n1 257331649 XTRTYQWPFFQHLR-IBGZPJMESA-N 352.438 2.327 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 257271671 MZHFZTQCAGQTKO-QGZVFWFLSA-N 350.378 2.253 0 40 FEAB CC1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(F)cn2)CCOCC1 1775996692 DXHKUKGXKMSKII-ZFWWWQNUSA-N 363.433 2.052 0 40 FEAB NC(=O)C[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)c1ccc(Cl)cc1 1629322367 XDCRYWAMEUIPAW-OAHLLOKOSA-N 369.812 2.472 0 40 FEAB CS(=O)(=O)c1nccn1-c1cccc(C(=O)NCc2cccs2)c1 390827803 KIGSNRNRFLWMIA-UHFFFAOYSA-N 361.448 2.267 0 40 FEAB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(F)cn3)n2)C1 585101673 MLQBGUBCLVPXON-ZDUSSCGKSA-N 360.437 2.648 0 40 FEAB Cc1cncc(CN2Cc3ccnn3CC[C@@H]2COc2ccccn2)n1 585096774 CQDAFTLZROKGPO-GOSISDBHSA-N 350.426 2.230 0 40 FEAB CNC(=O)c1c(C)cccc1NC(=O)c1cc(OC)c2c(c1)OCCO2 58330762 VECXZJSJUMDGMZ-UHFFFAOYSA-N 356.378 2.387 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1ccc(=O)c2ccccc21 58369408 CUHJJQMIAIEQCY-UHFFFAOYSA-N 362.385 2.377 0 40 FEAB O=C(C1CCOCC1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565522111 IRMJSOZUBYMYSL-UHFFFAOYSA-N 359.470 2.399 0 40 FEAB Nc1ncnc2cc(C(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)ccc12 1639920521 QKKRSRGBLKFPKW-LBPRGKRZSA-N 372.375 2.071 0 40 FEAB CCCNC(=O)NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 5001928 XYYXHOYWTAZJCE-UHFFFAOYSA-N 373.906 2.450 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc2c(c1)CCC2 5171030 PLJADUTYQFSGKQ-UHFFFAOYSA-N 363.417 2.449 0 40 FEAB COc1ccc(OC)c(CN2CCc3c(N)nc(N4CCCC4)nc3C2)c1 12222585 KLOQILAZIXMGIW-UHFFFAOYSA-N 369.469 2.235 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccccc3)ccc21 12241716 DPEASHACYDRVEK-UONOGXRCSA-N 360.460 2.434 0 40 FEAB CCc1cc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)no1 19522596 UBEHWIGPRKUPEK-UHFFFAOYSA-N 352.394 2.493 0 40 FEAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 19585033 PEOZMUUXYPPODH-MRXNPFEDSA-N 365.481 2.208 0 40 FEAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2ccnc(N3CCCCC3)c2)N1 19713305 BKTPZEIONMOSHW-DLBZAZTESA-N 356.470 2.345 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](c1ccccn1)c1ncc[nH]1 658268998 AIBNASYYJRKDHX-BMGDILEWSA-N 352.442 2.385 0 40 FEAB Cc1nc2ccc(OCC3CCN(C(=O)c4cn[nH]c4)CC3)nn2c1C 1888879222 SAJHGKDNAVVDNF-UHFFFAOYSA-N 354.414 2.000 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24217307 FCSNIQZFZZWRSP-HNNXBMFYSA-N 366.458 2.405 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1C 29072787 IQUJHDDYOIWXHS-CYBMUJFWSA-N 367.409 2.438 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5351728 VZAGEXRTYNZYND-CQSZACIVSA-N 362.426 2.134 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C1=O 9828161 ZPARGEXBQZXLJQ-UHFFFAOYSA-N 368.361 2.230 0 40 FEAB O=C(Cc1cccs1)NCCn1nc(-c2ccco2)n(C2CC2)c1=O 211074875 QDEATVSZSKUUAO-UHFFFAOYSA-N 358.423 2.060 0 40 FEAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(NC(=O)OC)cc1 207976157 GTJBCKOOEKZUGF-UHFFFAOYSA-N 368.411 2.295 0 40 FEAB CC(=O)NCc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 32738185 HSSJVLRCEZJAFJ-UHFFFAOYSA-N 351.406 2.467 0 40 FEAB O=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 52489217 KZXRZHHXWFPTFL-IBGZPJMESA-N 358.482 2.495 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnc4c(n3)CCCC4)cc2N1 4968416 DGUDPNZVZFEIJN-UHFFFAOYSA-N 356.407 2.056 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(F)cc1 7295852 QOCXYKUXYLMNGT-GFCCVEGCSA-N 374.343 2.500 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1noc2c1CCCC2 56259482 LCCQVDHERKJVNT-NSHDSACASA-N 363.439 2.034 0 40 FEAB CCOc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1 8133674 VUYDCEBCASBMAJ-UHFFFAOYSA-N 366.410 2.188 0 40 FEAB CCOc1cc(CNC(C)(C)CO)ccc1OCC(=O)NC(C)(C)C 8254393 ONZCJRRGZLIYCJ-UHFFFAOYSA-N 352.475 2.239 0 40 FEAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C 8635424 HWLCLXYMQRDPMN-ZNMIVQPWSA-N 374.510 2.089 0 40 FEAB biogenic,in-vitro Cc1ccc(-c2cc(C(=O)NC3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325665 LGULTSVOAIWKLL-MRXNPFEDSA-N 373.478 2.419 0 40 FEAB COc1ccc(OC)c(CCNC(=O)CN(C)C(=O)c2cccs2)c1 53348298 IEZXTJVNNRDRNI-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc(O)cc1=O 9438800 MGYOITUKKFRVQC-UHFFFAOYSA-N 359.451 2.036 0 40 FEAB CS[C@]12C(=O)O[C@H]3CC[C@@H]4[C@@H]5[C@@H]6C(=O)O[C@@H]7CC[C@@H]8[C@H]7[C@@H]6[C@H]([C@@H]5[C@@H]1[C@@H]34)[C@@H]82 104286882 JDROFKWAZRVEEN-IUCUMOKXSA-N 372.486 2.359 0 40 FEAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12 2929013 AIPAFWCZGALHPU-OAHLLOKOSA-N 356.403 2.209 0 40 FEAB CC(=O)NCCCOC(=O)c1cccc(F)c1I 89962631 QHSPERJGQIJKJV-UHFFFAOYSA-N 365.142 2.113 0 40 FEAB COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 54264230 GWLSQZPRBHDZOI-INIZCTEOSA-N 370.453 2.069 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C(C)C)C2)cc1 53272947 LMPRZNLROYOGNI-CABCVRRESA-N 368.499 2.257 0 40 FEAB O=C(c1ccccc1)N1CCN(C[C@H](O)COCc2cccs2)CC1 23409525 JYKBLUYKJWZFDW-KRWDZBQOSA-N 360.479 2.084 0 40 FEAB Cc1cc(I)ccc1NC(=O)CN1CCO[C@H](C)C1 24014629 VDUJBPQWWNELSN-LLVKDONJSA-N 374.222 2.259 0 40 FEAB Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)N[C@H](C)CCCc1ccccc1 100769776 YBUDZKSHUQZWAM-CYBMUJFWSA-N 367.453 2.105 0 40 FEAB COc1ccccc1N1CCN(CN2C(=O)C(=O)c3cc(F)ccc32)CC1 25561586 WSXZQMGZMHVBJM-UHFFFAOYSA-N 369.396 2.143 0 40 FEAB Cc1ccc(C)c(N(CC(=O)NCCC(C)C)S(=O)(=O)N(C)C)c1 20244851 UQDRXMJYPYTQKF-UHFFFAOYSA-N 355.504 2.079 0 40 FEAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCC(C)CC1 35378136 DGLGJRKXGZUWSZ-UHFFFAOYSA-N 361.467 2.420 0 40 FEAB Cc1cc(C)c(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 35334095 WQGOIIACVDIAQW-SFHVURJKSA-N 351.450 2.463 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)cc1 27238509 RBUZWACWLUUEAF-RMKNXTFCSA-N 354.454 2.176 0 40 FEAB CCOc1cc(Cl)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl 35655034 ZBYUMRUVAJBUJN-UHFFFAOYSA-N 353.271 2.328 0 40 FEAB NC(=O)NC(=O)CCN1CCC[C@@H]1Cc1ccc(Br)cc1 58171215 INUXMJLKZPJCSX-CYBMUJFWSA-N 354.248 2.041 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)CC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 58406059 MPIKDFKIPXXZFS-IWECOHLESA-N 356.532 2.489 0 40 FEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(Cl)s3)nc21 8345973 JWKHLORXUSZOCZ-UHFFFAOYSA-N 365.798 2.273 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncccn1)n2CCC 10719949 CHIWIGJXTYQZDO-UHFFFAOYSA-N 374.470 2.179 0 40 FEAB CCn1c2ccccc2c2nnc(SCC(=O)NC[C@H]3CCCO3)nc21 3384055 LQGJXNKLYVSPSM-GFCCVEGCSA-N 371.466 2.387 0 40 FEAB O=c1c2ccccc2cnn1CN1CCN(CCOc2ccccc2)CC1 28891343 VWQVOOHQQOYERS-UHFFFAOYSA-N 364.449 2.051 0 40 FEAB C[C@H](C(=O)O)n1c(S[C@H]2CCCCNC2=O)nnc1-c1cccs1 12936234 ZBXLYMHNVBXORS-KOLCDFICSA-N 366.468 2.413 0 40 FEAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1 12939533 YBOKTAUCRXOVJE-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnccn1 8423277 KABAUNGXOPJWSH-UHFFFAOYSA-N 363.215 2.258 0 40 FEAB COc1cccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 8619476 OXVJAEYOFCZJDZ-UHFFFAOYSA-N 360.435 2.165 0 40 FEAB biogenic O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc3n(c2=O)CCCCC3)C1 14138163 MHWAHTIZAXIYNM-MRXNPFEDSA-N 369.469 2.079 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 6906801 UVJIYUKUEBNUTG-LJQANCHMSA-N 363.433 2.231 0 40 FEAB CCN(CC)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 8747119 VHJNYUZEPSQKDP-UHFFFAOYSA-N 366.421 2.175 0 40 FEAB COC(=O)C1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCCC1 71850275 UWCULXHHRVTHQN-KRWDZBQOSA-N 359.470 2.286 0 40 FEAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cccnc1)C2 306123492 AOVIDLFEYYUWLE-QGZVFWFLSA-N 366.465 2.230 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cccnc1 306129303 IAFDHCBGQSIXQL-SFHVURJKSA-N 362.437 2.050 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCOc1ccccc1 524730422 IQWPMHUHKOJPQI-MDKPJZGXSA-N 366.417 2.292 0 40 FEAB biogenic Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)ncc1C(=O)O 217401586 JMLOVDLWHBUDIE-UHFFFAOYSA-N 372.200 2.047 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 30584138 NCRPYMOFZWALAO-CYBMUJFWSA-N 364.389 2.249 0 40 FEAB O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccccc1F 36633978 IFDJFPDHJXLOKI-SFHVURJKSA-N 371.387 2.419 0 40 FEAB CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225213002 PRHFBTKDEQVBKD-AWEZNQCLSA-N 356.488 2.401 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N[C@H](C)CCCC(C)C)n2)n1 40286679 WMGHEWFBOPDDCD-CQSZACIVSA-N 359.474 2.377 0 40 FEAB CCC(=O)N1CCC[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 40146488 ASIRHTYKDJWZCP-LBPRGKRZSA-N 350.415 2.300 0 40 FEAB CC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)Oc2ccccc21 48324900 QGNHXNFHBWWEFS-HXPMCKFVSA-N 368.389 2.407 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 224057892 TXIMLXFJBDQGMX-UHFFFAOYSA-N 362.817 2.440 0 40 FEAB O=C1CO[C@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccoc1 96240190 FVYQZXMEGKNRGI-IBGZPJMESA-N 360.385 2.053 0 40 FEAB O=Cc1cccn1-c1nc(Cl)c(Br)c(N2CCOCC2)n1 96525835 SZCIEEYIKJCMEG-UHFFFAOYSA-N 371.622 2.332 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96209851 JGSMWQUYFISAET-LESCRADOSA-N 356.426 2.057 0 40 FEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccco2)o1 534592582 XKKHETLDVCYARQ-UHFFFAOYSA-N 371.372 2.229 0 40 FEAB O=C(N[C@H]1COC2(CCN(Cc3ccccn3)CC2)C1)c1ccccn1 96221082 PIPZGOWKNWNVEQ-QGZVFWFLSA-N 352.438 2.030 0 40 FEAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccccc1 247491420 MSIULTNUBGMLTQ-SFHVURJKSA-N 354.454 2.239 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)COc3ccccc3F)C2)c1F 244975190 IFUVJJFOVHCJLX-LBPRGKRZSA-N 363.364 2.376 0 40 FEAB CN(C)C(=O)CN1[C@H]2CCCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257335612 YLBMEYGHVXDBNU-LQWHRVPQSA-N 357.498 2.209 0 40 FEAB Cc1ncncc1C(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257268335 MLFHOQKVJMBSGE-SQNIBIBYSA-N 359.401 2.357 0 40 FEAB COC(=O)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257340896 ZHZRXXLOXIAUFS-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB CCOCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 253381764 FVLVNTPIWJUUPI-MRXNPFEDSA-N 357.410 2.164 0 40 FEAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)nc1 257344201 ZWDRWHQXGJFHPK-GOSISDBHSA-N 358.486 2.209 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@@H](c2cccs2)C1 268494569 QUEKTEHFJMCMHS-GFCCVEGCSA-N 361.448 2.120 0 40 FEAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1(F)F 289909602 YDEPBYRPAYQOFL-VIFPVBQESA-N 362.379 2.027 0 40 FEAB O=C(CCSCc1nc(O)c2ccccc2n1)N1CC2CC1(C(=O)O)C2 595245253 RCVSYWXTQASBPY-UHFFFAOYSA-N 373.434 2.034 0 40 FEAB Cc1c(NC(=O)Cn2c(=O)n(C)c3ccccc32)n[nH]c1C(F)(F)F 621496762 PFZXKNWTMUZYMM-UHFFFAOYSA-N 353.304 2.029 0 40 FEAB CC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2ccccc2Br)C1 659786742 ZXPKJLPOHLYVIB-RISCZKNCSA-N 355.232 2.175 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(CCC(=O)O)Cc3ccccc3)cc12 683298067 RPGDDSWBQHLTKN-UHFFFAOYSA-N 352.394 2.394 0 40 FEAB O=C(c1ccco1)N1CCc2ccc(NC(=O)N3CCNC3=O)cc2C1 96103615 NGGZVCGKNOCNBQ-UHFFFAOYSA-N 354.366 2.035 0 40 FEAB Cc1nc(/C=C/C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cs1 585290218 OVPAZAIMJKZEPP-QDIARDEESA-N 359.451 2.337 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCCN(C(=O)c2cncnc2O)C1 585279229 XRBIYVKRBYJUGF-IBGZPJMESA-N 357.410 2.191 0 40 FEAB O=C(Cc1cccc(Cl)c1Cl)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941694 GAXZVJXJIBIAEQ-QWHCGFSZSA-N 356.209 2.222 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)c3ccccc3O)cc3cccc1c23 685937125 JSYLFNGUCIVHJM-UHFFFAOYSA-N 353.355 2.262 0 40 FEAB COc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1C 5111337 OXDJUBCTPAFYEA-UHFFFAOYSA-N 356.411 2.012 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2cccc(Cl)c2)c1=O 12146687 NJLOOHPDAACWNP-UHFFFAOYSA-N 358.785 2.055 0 40 FEAB O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 12249900 JVCLGCPEQJIWAV-AWEZNQCLSA-N 370.858 2.032 0 40 FEAB O=C(c1ccncc1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407966 YOKDHWNTRJEVHL-UHFFFAOYSA-N 351.366 2.252 0 40 FEAB Cc1cc(S(=O)(=O)NC(C)(C)C)c(C)n1S(=O)(=O)c1ccccc1 13585855 AMWJJSDYLQIZLS-UHFFFAOYSA-N 370.496 2.419 0 40 FEAB CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 17072724 ZERQHLIPAQPRIP-PSJXJDHFSA-N 350.440 2.485 0 40 FEAB Cc1nc(O)cc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)n1 19118963 DGCATUQOOKDZJC-UHFFFAOYSA-N 363.421 2.310 0 40 FEAB Cc1cc(-c2cnc(NCCN3CCOCC3)nc2[C@H]2CCCO2)on1 19122679 DFHYXHWDADQVRE-OAHLLOKOSA-N 359.430 2.036 0 40 FEAB COc1cc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1O 19550085 BNSAAEKLDDJXLF-UHFFFAOYSA-N 370.453 2.033 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 19719793 SKXKXVGEZLQGJJ-CQSZACIVSA-N 352.442 2.190 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(c3cccs3)=NC2=N1 940742 IVSPGFWRCIKDSJ-AWEZNQCLSA-N 355.398 2.324 0 40 FEAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCN(C(=O)OC(C)(C)C)CC1 28754919 AFRFSYCSFUXXSF-UHFFFAOYSA-N 359.426 2.035 0 40 FEAB Cn1ccnc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840168 HZCWJABAQMWUQL-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)n1 2056224491 SEVAEDJNIIFKCB-IBGZPJMESA-N 354.458 2.041 0 40 FEAB COc1ccc(CN2C(=O)CCC23CCN(C(=O)[C@@H]2CCOC2)CC3)cc1 1614940549 FZSOZRUBUMZBLE-QGZVFWFLSA-N 372.465 2.215 0 40 FEAB CCCCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 4615883 BFFABFIMFXUFQE-MZPVMMEZSA-N 368.455 2.396 0 40 FEAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1C 5169261 OAVDCGJMWUXQHT-UHFFFAOYSA-N 365.437 2.212 0 40 FEAB COc1cccc(C(=O)NCCS(=O)(=O)N(C)C2CCCCC2)c1 5272905 WTGSHAYFYMCZGE-UHFFFAOYSA-N 354.472 2.019 0 40 FEAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2cccnc2)CC1 2055745946 UKWXGAKASUTFCT-UHFFFAOYSA-N 357.483 2.263 0 40 FEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4c(C)nc5ccccn45)C[C@H]3O2)n[nH]1 2055772407 GNOHLNPFDUJKHR-RRFJBIMHSA-N 366.425 2.062 0 40 FEAB CN(C)c1cc(-n2cnc(C(=O)NCc3cccc(Cl)c3)c2)ncn1 49411356 NVYOEBJANUSBON-UHFFFAOYSA-N 356.817 2.312 0 40 FEAB COc1cc(CNC(=O)C(C)(C)c2ccccc2)ccc1OCC(N)=O 40119488 JUJFFFXRDFTXGO-UHFFFAOYSA-N 356.422 2.153 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 102048789 URKJSKVDJFPMFH-YXUGBTPSSA-N 350.418 2.311 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 3195984 VIAWHYXQSZXOIN-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB OCCN1CCN(c2nc(NC3CCCCC3)c3ccccc3n2)CC1 41152862 BOOGIQUCRMOVJV-UHFFFAOYSA-N 355.486 2.489 0 40 FEAB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)C(F)(F)F 7496760 BYSBIFYFNMOPAK-UHFFFAOYSA-N 369.265 2.398 0 40 FEAB CN(C(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 10287367 FCMMWBBWITZUSF-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB CCn1c(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc21 52842045 QEZILQDCCAPZMD-KSSFIOAISA-N 358.467 2.126 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 103066633 RQFYIRZAMWZYSL-QWRGUYRKSA-N 366.320 2.122 0 40 FEAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1cccc(C(F)(F)F)c1 53113240 WCIWGHQOCPKKJT-TZMCWYRMSA-N 371.403 2.250 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 69371023 LHMAZYTVRHFWNL-WXTAPIANSA-N 370.474 2.096 0 40 FEAB C[C@@H]1CCCN(C(=O)CSc2nnnn2CCc2cccs2)C1 53865229 LWCWBSWKLMYDKE-GFCCVEGCSA-N 351.501 2.328 0 40 FEAB CC(C)(CNC(=O)NCCCn1ccc2ccccc21)N1CCOCC1 54040217 DBTYFLZXPRGBFJ-UHFFFAOYSA-N 358.486 2.441 0 40 FEAB Cn1/c(=N\C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2ccccc21 104992844 RHPZXCIMTGLCIQ-QMZBMZNISA-N 371.462 2.232 0 40 FEAB COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102593332 RLFDPEJNHPEXOW-QIKBGRHYSA-N 366.417 2.077 0 40 FEAB c1cnc(N2CCN(CCCNc3ncnc4sccc34)CC2)nc1 23888285 YESLBZFVZUAZMD-UHFFFAOYSA-N 355.471 2.106 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1 54779198 FTQDNIQGJKOUHM-CQSZACIVSA-N 353.422 2.388 0 40 FEAB CC[C@@H](CO)n1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 12418838 SWFAZLYUACCDHW-ZDUSSCGKSA-N 361.829 2.303 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2nccnc2c1 8339365 XCOGMBNVGKVVRB-UHFFFAOYSA-N 370.434 2.441 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccsc1 25331943 NIOUIRYJIPDYLL-KRWDZBQOSA-N 355.467 2.421 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)c2cc3cccc(Br)c3o2)CCO1 43702714 YMBGUHCYFGSRRZ-NSHDSACASA-N 354.156 2.121 0 40 FEAB O=C1C[C@H](C(=O)NCC(=O)N2CCCc3ccccc32)c2ccccc2N1 57270090 NIJVRBUKWMMMEO-INIZCTEOSA-N 363.417 2.208 0 40 FEAB COc1ccc(CCNC(=O)c2cn(-c3cccc(F)c3)nn2)cc1OC 44167877 NABJSIFCYQBJDH-UHFFFAOYSA-N 370.384 2.396 0 40 FEAB Cc1cc(C(=O)NCC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)c(C)o1 57558625 RFZXNYZIYMTMSE-UHFFFAOYSA-N 372.421 2.449 0 40 FEAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc1 8346028 PUGATSHYKSIKOV-GOSISDBHSA-N 367.380 2.485 0 40 FEAB O[C@H](CNc1ncnc2[nH]cnc12)COc1cccc(C(F)(F)F)c1 58160276 DFCUVBOZFDHKHD-SNVBAGLBSA-N 353.304 2.224 0 40 FEAB CC1CCN([C@H](C)CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 58197805 ZJQMRUPKUUFBLB-QGZVFWFLSA-N 368.481 2.147 0 40 FEAB O=C(Nc1nnc(C2CC2)s1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 58201869 VCQLABVUAWUHKU-AWEZNQCLSA-N 371.466 2.427 0 40 FEAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NC12CC3CC(CC(C3)C1)C2 58343805 VQPAMIORIOSNMT-UHFFFAOYSA-N 373.478 2.436 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 36389908 NTFDJKXIWQWZPT-UHFFFAOYSA-N 361.877 2.451 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)Cn1nc2n(c1=O)CCCCC2 10913575 FQCJQZPZMVTOJK-UHFFFAOYSA-N 352.442 2.046 0 40 FEAB Cc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1-n1cnnn1 45732136 LGHNNZZKNDABFS-UHFFFAOYSA-N 359.393 2.468 0 40 FEAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 12746770 KRBXWGFOXCRWSF-SUMWQHHRSA-N 353.374 2.016 0 40 FEAB C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 27566182 RAHDGKQQMFVOKU-DDLCOGFTSA-N 361.530 2.260 0 40 FEAB CC1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)CC1 12855624 GZONIIHHIQEENM-FQEVSTJZSA-N 355.438 2.244 0 40 FEAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(C(=O)NC2CC2)c1 12920081 DWQHFTJYXCBGKY-QGZVFWFLSA-N 365.389 2.307 0 40 FEAB CCOc1ccc(OC[C@@H](O)CN2C(=O)CCN([C@H](C)CC)C2=O)cc1 12943793 CDYWYMHZDKKUNG-CABCVRRESA-N 364.442 2.278 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(N)=O)C2)c(Br)c1 12942940 XAHHWRGAOMRZJC-KTRBRXNASA-N 351.244 2.495 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1NC(C)=O 12912989 OESMANJPCBJIPM-UHFFFAOYSA-N 366.464 2.462 0 40 FEAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1 14199620 JZQAHJJXYMWGMC-UHFFFAOYSA-N 369.465 2.323 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 6514736 NVSFDNDMZVHGMN-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 113941452 GLVWXYIEZUKRHS-LLVKDONJSA-N 362.879 2.275 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 15524681 PMPKFSGZLUNZJJ-UHFFFAOYSA-N 372.402 2.296 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(C)s3)n2)cc1 9226058 JFQWAXFAYQEPNB-UHFFFAOYSA-N 362.440 2.371 0 40 FEAB CC(C)N1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 7501279 HHZLRPROCIIAMV-UHFFFAOYSA-N 352.774 2.201 0 40 FEAB O=C(COC(=O)Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 7778479 BNAATTALVPCBDY-UHFFFAOYSA-N 365.389 2.280 0 40 FEAB Cc1cc(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nn1-c1ccccc1 7753883 TYXVBHYMYZUFFA-UHFFFAOYSA-N 363.373 2.200 0 40 FEAB O=C(CSc1nccn1Cc1ccccc1)NC(=O)NCC(F)(F)F 9154469 MEUHTFRCQBYVFO-UHFFFAOYSA-N 372.372 2.412 0 40 FEAB CCCn1nc(-c2nc3c4ccccc4[nH]c(=O)n3n2)c2ccccc2c1=O 9644449 FGMYVQHVKSURMB-UHFFFAOYSA-N 372.388 2.358 0 40 FEAB Cc1ncc(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)s1 84290654 JYZHVRFUKIUQCT-UHFFFAOYSA-N 352.485 2.315 0 40 FEAB CCOC[C@H]1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)C1 72311382 PNMCNIYXXAQCFD-MAUKXSAKSA-N 373.453 2.069 0 40 FEAB CC[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)c1cnn(CC)c1 72305864 YUEHKGGAAFTZII-INIZCTEOSA-N 358.446 2.407 0 40 FEAB COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N(C)c1ccccc1 95453939 BAGKFYKGJIOGCX-UHFFFAOYSA-N 362.451 2.199 0 40 FEAB CC(C)c1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)s1 95475912 MZVFLNSIILZXNY-NSHDSACASA-N 359.411 2.390 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)N[C@H](CCO)C3CCCCC3)CC2=O)cc1 95426654 AIOSSEUGALSUAZ-QFBILLFUSA-N 374.481 2.496 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)N2C(=O)CSc3ccccc32)cc1 28527703 ARLMCJGDKXSJCG-UHFFFAOYSA-N 363.420 2.005 0 40 FEAB COc1cc(C(=O)NCC(=O)N2CCCCCCC2)cc(OC)c1OC 32720235 ZTUIGKBJJZZFGZ-UHFFFAOYSA-N 364.442 2.235 0 40 FEAB COc1ccccc1CCNC(=O)CC1(Cn2cnnn2)CCCCC1 36359674 HRZQLMJHKQALKE-UHFFFAOYSA-N 357.458 2.381 0 40 FEAB CNS(=O)(=O)c1c(C)oc(C)c1C(=O)NCc1ccccc1Cl 38489412 MLTFBGLEWQFEIC-UHFFFAOYSA-N 356.831 2.388 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 71329021 BTVHEFNCACUJNV-LAUBAEHRSA-N 367.449 2.064 0 40 FEAB CC(=O)Nc1ccc(Oc2cncc([C@H]3CCCN(CCO)C3)n2)cc1 72361638 RZDWFPZFFVTYRB-HNNXBMFYSA-N 356.426 2.399 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 122892092 DGZPUEXITGVMGQ-UHFFFAOYSA-N 361.354 2.380 0 40 FEAB CC(=O)N1CCC(CC(=O)NC(C)(C)C)(N2Cc3ccccc3C2=O)CC1 1565524874 VRYCAOPTJJKHQM-UHFFFAOYSA-N 371.481 2.328 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 72393904 OMIUYGRTFITIMP-OAHLLOKOSA-N 365.437 2.321 0 40 FEAB COc1ccc(CC(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1 40386070 QPDWPBQOOILEOT-GOSISDBHSA-N 364.401 2.416 0 40 FEAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccc1F 222577418 QEARBEGVXRPVCT-UHFFFAOYSA-N 356.463 2.426 0 40 FEAB S=C(Nc1ncc(Br)nc1Br)NC1CC1 224030836 PRXFAIKWQUUHHC-UHFFFAOYSA-N 352.055 2.450 0 40 FEAB C[C@@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 527659020 NFVJKXBNAVGUBS-YSHGAJCASA-N 371.529 2.306 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1N1CCCC1=O 223889123 YSLRNRBMDQRQQF-UHFFFAOYSA-N 364.423 2.236 0 40 FEAB CC(C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 80331301 DMTRPQAQRMPNNC-CYBMUJFWSA-N 352.866 2.085 0 40 FEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCc1ccc(F)cc1 224076494 NADKXIWYORGQDI-UHFFFAOYSA-N 350.415 2.478 0 40 FEAB CC(C)c1nc(Cc2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)no1 225873975 SCHNEZBVJXHZDU-UHFFFAOYSA-N 370.409 2.261 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 96242687 MBTHXIWINRYIQM-FUHWJXTLSA-N 358.438 2.187 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)N=C1C 96261505 UWINLDVQFMVKTO-OXFYSEKESA-N 370.453 2.206 0 40 FEAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)ccc12 257304734 SMYRXNUXIXEHEV-CYBMUJFWSA-N 357.458 2.331 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 253600884 BZTPVQPSPSFCOF-MRXNPFEDSA-N 356.426 2.001 0 40 FEAB Cc1nccc([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257213642 CIMBQBGXCOQQDS-KRWDZBQOSA-N 351.410 2.194 0 40 FEAB COc1ccc(N(CCCC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260892819 DTFAFQPJDYQWPD-CQSZACIVSA-N 356.488 2.402 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCc4ccccc43)ccc21 280163465 CYZUQNBDULSGQJ-UHFFFAOYSA-N 372.446 2.321 0 40 FEAB COc1ccc(CN2C(=O)c3cccnc3C23CCNCC3)c(OC)c1 575624130 JHXJUVBMZQGICD-UHFFFAOYSA-N 353.422 2.334 0 40 FEAB O=S1(=O)C[C@@H](N(Cc2cccc(Cl)c2)c2cccc(O)c2)[C@@H](O)C1 575420133 GDPYBRDYOYOHAB-SJORKVTESA-N 367.854 2.210 0 40 FEAB CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)c1 656626124 IPWMBMWLEPGJEN-JTQLQIEISA-N 353.400 2.096 0 40 FEAB Cn1cccc1C(=O)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093166 GOAKNEPPLUPKOQ-QGZVFWFLSA-N 351.397 2.135 0 40 FEAB CN(C)C(=O)CC[C@]1(O)CCCN(CCCOc2ccccc2F)C1 585278632 PKQWQKMQMQHFPY-LJQANCHMSA-N 352.450 2.290 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 585102846 KNFROBUDTLILHL-SIKLNZKXSA-N 370.493 2.415 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O 58435052 KQHGSCWSOXYAKP-UHFFFAOYSA-N 364.449 2.165 0 40 FEAB CC(C)N1CCC[C@@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 58209968 YOTJHRZQFFLCJN-HNNXBMFYSA-N 357.458 2.301 0 40 FEAB O=C1CC2(CCN(CC3CC3)CC2)n2nccc2N1Cc1ccncc1 1772596556 SJFGJQPSQFTVGY-UHFFFAOYSA-N 351.454 2.416 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 5314600 ZCMTUZGPQKQUPX-UHFFFAOYSA-N 366.464 2.336 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 14607424 GGORKDMWGUOYJH-NVXWUHKLSA-N 358.438 2.210 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)COc3ccc(C)cc3)nc2s1 15734016 YLXLSTAVHIJXIV-UHFFFAOYSA-N 359.407 2.144 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)C1 19592603 IFVZPXZNJUMPJC-NVXWUHKLSA-N 359.470 2.489 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCOc3ccccc31)C2=O 19664813 QIAICENHIJOYBY-LXDLAPCHSA-N 371.437 2.127 0 40 FEAB C[C@](NC(=O)c1ccc(NC2CC2)nc1)(C(N)=O)c1cccc(Cl)c1 531395711 JTWMSERNYREODF-GOSISDBHSA-N 358.829 2.440 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829636 FPAALEUPFDHNAJ-VXGBXAGGSA-N 368.359 2.487 0 40 FEAB CCn1c(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888860308 RXOIFGSRGGNSLM-IRXDYDNUSA-N 368.481 2.377 0 40 FEAB COc1cc(N2CCN(c3ccc(Br)cn3)CC2=O)ccn1 1888866541 IUFFSVLFFZHNJU-UHFFFAOYSA-N 363.215 2.101 0 40 FEAB NC(=O)c1cc(OC2CN(Cc3ccccc3C(F)(F)F)C2)ccn1 1889130334 WHPORLCYAHPQFH-UHFFFAOYSA-N 351.328 2.463 0 40 FEAB Cc1cc(CC[C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 1848356445 HOVQVZBMNXGETF-KRWDZBQOSA-N 351.516 2.211 0 40 FEAB O=C(c1cscn1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1147364045 FWMXAYRLHVONEO-UHFFFAOYSA-N 357.435 2.181 0 40 FEAB Cc1ncccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 2037963959 BWNQGLNUXNHUHV-XFQXTVEOSA-N 356.397 2.289 0 40 FEAB Cc1ncsc1C(=O)N1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037985725 UALVYHQAHOZCRH-QGZVFWFLSA-N 351.472 2.084 0 40 FEAB Cc1nc2ccccn2c1C(=O)N1CCc2ncnc(NC3CC3)c2CC1 1565554631 CVJYZHSWZVDNQX-UHFFFAOYSA-N 362.437 2.248 0 40 FEAB CCCCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 4271717 DQNCOXNIKPTFIK-UHFFFAOYSA-N 371.466 2.057 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CC2CC2)C1 2055751308 ILCZVYDYXPYPCM-FQEVSTJZSA-N 359.470 2.022 0 40 FEAB Cc1csc(NC(=O)c2ncn3c2CC[C@H](C(=O)N2CCCC2)C3)n1 2055713616 NZIKZEQOHGKYFY-LBPRGKRZSA-N 359.455 2.085 0 40 FEAB CN1CCN(C(=O)Cc2cccc(NCc3cnc4ccccn34)c2)CC1 152455967 VPIGTRKVUHTFBY-UHFFFAOYSA-N 363.465 2.263 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1 40118872 FMAOAODXEQDCPF-UHFFFAOYSA-N 373.478 2.405 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ccccc2)CC1 40155885 VVZQFVXCLUFWGM-UHFFFAOYSA-N 362.474 2.039 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccs2)no1 30707193 FUAMTGTUDKMULW-AWEZNQCLSA-N 354.435 2.471 0 40 FEAB CCc1ccc2oc(=O)cc(CN3CCN(c4ncccn4)CC3)c2c1 20213263 YYBHITKTXHBICC-UHFFFAOYSA-N 350.422 2.468 0 40 FEAB O=C(COc1ccccc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 46048085 YAVOJHPLIKQEAG-HNNXBMFYSA-N 352.862 2.432 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1 959212 FGCWLLOXWVFLOV-UHFFFAOYSA-N 365.407 2.212 0 40 FEAB CC(C)[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 1761391 QIPCYCBWKGPECJ-GJZGRUSLSA-N 370.515 2.313 0 40 FEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCc2sccc2C1 32883751 JFUAMOYXNJTCFT-UHFFFAOYSA-N 362.476 2.487 0 40 FEAB CC(C)=CCN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 11996521 RLKCLANSGNMWOW-UHFFFAOYSA-N 367.497 2.383 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)C1CCCCC1 7563239 ILUMZBXXZWPLRK-CYBMUJFWSA-N 362.426 2.262 0 40 FEAB COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 8161579 ZARKENAHOMKUEE-UHFFFAOYSA-N 362.769 2.332 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cl 8238992 FOSLNTHPEPHSIH-LBPRGKRZSA-N 352.843 2.323 0 40 FEAB CCn1c(NC(=O)CNC(=O)COc2ccccc2)nc2ccccc21 10652233 LNYVUHCLWUDVBM-UHFFFAOYSA-N 352.394 2.190 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100561003 ANFAOSQMAXJMSD-KODHJQJWSA-N 369.417 2.060 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 839318 VSZUOQGWEJBGLL-LLVKDONJSA-N 352.346 2.081 0 40 FEAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9973841 SXKYGMCCOOMCRK-OAHLLOKOSA-N 368.499 2.402 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)NCc4ccccc4)c(=O)c23)C1 958781 HWXKMLJEYVPKTI-LBPRGKRZSA-N 368.462 2.294 0 40 FEAB Cc1ccc(SCCNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1 54657648 KZHPOGOUCNBOFG-HNNXBMFYSA-N 360.483 2.119 0 40 FEAB CN(C)CCCN1CNC2=NC3(CCCC3)n3c(nc4ccccc43)N2C1 20676462 XUMXGWQTTXSQMN-UHFFFAOYSA-N 367.501 2.211 0 40 FEAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 12535745 QEOJEBRRICVUTG-AWEZNQCLSA-N 371.462 2.458 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 107333926 ZSMFCLGHMDFRHW-HUBLWGQQSA-N 353.513 2.378 0 40 FEAB Cn1cnnc1SCc1nnc(C(=O)NCc2ccc(F)cc2)s1 26015174 BNXIWACITUSPOW-UHFFFAOYSA-N 364.431 2.028 0 40 FEAB Cc1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Cl 35400228 HTHNTTKACYDEGR-UHFFFAOYSA-N 350.850 2.077 0 40 FEAB O=C(CCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)NC1CC1 26909533 CJGMJKDAMFBRQF-UHFFFAOYSA-N 355.404 2.492 0 40 FEAB CC(C)n1ncc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)cnc21 27022914 AAZBWUWMFNMTAI-MRXNPFEDSA-N 366.425 2.230 0 40 FEAB Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccnc2)N2CCOCC2)o1 57994658 RUQFZRNZCOXJDK-KURKYZTESA-N 355.438 2.276 0 40 FEAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc(OC)c1OC 10083431 MWHROQYHIZGEGF-UHFFFAOYSA-N 369.381 2.155 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCC1 408700799 MARYZGRGOULIQK-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 58224192 PYZCTXAAFFQDKE-KBPBESRZSA-N 357.410 2.097 0 40 FEAB O=C(Nc1cccc(N2CCNC2=O)c1)c1c[nH]c(C(=O)N2CCCC2)c1 48280233 KKLIMPNHMPYYSX-UHFFFAOYSA-N 367.409 2.033 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc3ccccn23)C1 12793802 KMFIQYWHXVZEAV-RHSMWYFYSA-N 364.405 2.275 0 40 FEAB COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CCOCC1 58582956 YGRZSZACQRMQGM-UHFFFAOYSA-N 359.325 2.448 0 40 FEAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1c(F)cccc1F 12793505 XNROFXODZQHHCG-UHFFFAOYSA-N 351.397 2.238 0 40 FEAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccc(C(N)=O)cc2)c1 16734480 LPVMGLRABFKJAW-UHFFFAOYSA-N 362.451 2.102 0 40 FEAB COc1ccc(Br)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 409279282 HEJKORORQDHTDR-OQMKEHIESA-N 364.195 2.291 0 40 FEAB NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3422072 ZVDAAZYRBLZSSD-CQSZACIVSA-N 356.806 2.374 0 40 FEAB CC1(C)Cc2cccc(OC(=O)[C@@H]3CCCCN3S(C)(=O)=O)c2O1 48867562 XHPMCKNBLRYKLI-ZDUSSCGKSA-N 353.440 2.120 0 40 FEAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccc1 13268686 VYLZRNSVEHBCHU-INIZCTEOSA-N 371.418 2.186 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 5259028 GEWWEMLDRSGVGU-UHFFFAOYSA-N 358.463 2.443 0 40 FEAB COc1ccc(-c2noc(COC(=O)c3cnc(C)cn3)n2)cc1OC 8496703 NIMMENDSZKCZEN-UHFFFAOYSA-N 356.338 2.209 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 4555441 MJUHEKJAOULGPC-QGZVFWFLSA-N 367.401 2.470 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1F 17598204 ZZURPKYRGSXPRO-UHFFFAOYSA-N 361.325 2.036 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 6784387 RAWCVJOJUPMFAT-ZDUSSCGKSA-N 366.483 2.205 0 40 FEAB CN(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc(F)cc1 8727715 HRNLZLBJSSFARK-UHFFFAOYSA-N 361.392 2.305 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)n[nH]c1=O 8924519 OSMJWUSAWUYLOD-UHFFFAOYSA-N 371.260 2.393 0 40 FEAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 15842944 ASVCHHDNUCPATO-LBPRGKRZSA-N 374.418 2.260 0 40 FEAB CSc1ccccc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7675908 CGGWWQRVMAITPH-UHFFFAOYSA-N 369.402 2.441 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cc2ccccc2o1 7777597 IMKFMAZUNMAWGH-UHFFFAOYSA-N 363.325 2.455 0 40 FEAB CCN(CCNC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1ccccc1C 78903026 IWLQQJHRLLWTKB-UHFFFAOYSA-N 371.485 2.458 0 40 FEAB O=C(O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 9295600 WNFXGQLQAJXBMH-MHWRWJLKSA-N 352.346 2.243 0 40 FEAB Nn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccccc2c1=O 71768144 KDAUURSBJGNDQL-MRXNPFEDSA-N 366.446 2.006 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 72400617 OXNWJINOPZPFMP-DLBZAZTESA-N 373.453 2.406 0 40 FEAB C[C@H](C(=O)NC[C@H]1CCCOC1)n1c(S)nnc1-c1cccs1 95393902 CQQSJDHNDQJKNT-GHMZBOCLSA-N 352.485 2.399 0 40 FEAB CC1CCC2(CC1)OC[C@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)O2 95464542 QDXGPVNIMLXARP-MHALHIKHSA-N 366.502 2.068 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)c(Cl)c1 95941732 IUYTXUYNEASWRP-UHFFFAOYSA-N 364.814 2.323 0 40 FEAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCOC[C@@H]1c1ncon1 95981426 JCQGUOLMHWNAAI-YYRQZUAOSA-N 363.757 2.065 0 40 FEAB COCCN1CCN(C(=O)c2nccnc2Sc2ccccc2)CC1 543285901 WNWGWKVQZXDUEB-UHFFFAOYSA-N 358.467 2.032 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393141 VOFOBMJMGYIYJB-AWEZNQCLSA-N 354.472 2.073 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c3cccnc23)cc1 546728941 MTLNCRCUZHZJQI-UHFFFAOYSA-N 371.418 2.404 0 40 FEAB O=C(Nc1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)ccn1)C1CC1 552095395 RXFKODIOUCYXTI-AWEZNQCLSA-N 371.359 2.206 0 40 FEAB CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCCC2)cc1 67870743 NZMBDUUBCDRYKW-IRFCIJBXSA-N 370.541 2.289 0 40 FEAB biogenic,in-vitro CC(C)n1cc(C[C@H]2NC(=O)N(Cc3ccc4ncccc4c3)C2=O)nn1 548007359 PTDRLOMAGYYUBJ-QGZVFWFLSA-N 364.409 2.070 0 40 FEAB CN1CC2(CCN(Cc3nccs3)CC2)c2nn(CC3CC3)cc2C1=O 306138614 SCERUVPVJJGPTQ-UHFFFAOYSA-N 371.510 2.369 0 40 FEAB Cc1nc(CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cs1 32937749 UWPDZGJMZXCJAA-UHFFFAOYSA-N 353.469 2.068 0 40 FEAB CC(C)n1c([C@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 524732294 HQYDMWDQVRQGMS-MRXNPFEDSA-N 353.430 2.358 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cccc3c2OCO3)C1 548673439 RSCKAMVXSFAGBN-GOSISDBHSA-N 359.451 2.418 0 40 FEAB COCC(=O)N1CCc2cc(NC(=O)c3cn(C)nc3C(F)F)ccc21 548625790 MVUQWASHCUCVJJ-UHFFFAOYSA-N 364.352 2.146 0 40 FEAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Br 32095067 KAGUJKLJYYBMKS-WOPDTQHZSA-N 374.242 2.367 0 40 FEAB O=C(C1CCCCC1)N1CCC(NC(=S)NC[C@@H]2CCCO2)CC1 36844873 UPFDKMOXHRELPU-INIZCTEOSA-N 353.532 2.201 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679719 SDPLXOOYOPPMSC-UONOGXRCSA-N 365.455 2.347 0 40 FEAB C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760692 AXBYTIZORXRHFP-KRWDZBQOSA-N 354.450 2.145 0 40 FEAB Cc1cc(C(=O)N2CCN(CCNC(=O)c3ccsc3)CC2)c(C)o1 42383085 CQHXMMWAKCMDTJ-UHFFFAOYSA-N 361.467 2.146 0 40 FEAB COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c(OC)c1 222406524 VEDYKKRPNVUMBJ-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc4cccnc34)C2)nn1 225431528 JBCCDJCRURDKCE-OAHLLOKOSA-N 370.434 2.175 0 40 FEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329103439 NPZVVTNBHANBIM-KFWWJZLASA-N 367.478 2.916 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 222585691 DENBLAFXULVOBX-CQSZACIVSA-N 374.412 2.376 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c(OC)c1 223271374 ZSOOTIDXNNVLFL-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB O=C(CCOCC(F)F)N(Cc1nccs1)[C@H]1CC12CCNCC2 577179308 UTADIURCJNSKTF-LBPRGKRZSA-N 359.442 2.286 0 40 FEAB CCn1cc(S(=O)(=O)N(CCC(=O)O)c2cc(C)cc(C)c2)nc1C 577336580 ICNVSJNDEKLGJO-UHFFFAOYSA-N 365.455 2.498 0 40 FEAB CN(C)c1cc(N[C@H]2CCO[C@]3(CCN(Cc4ccco4)C3)C2)ncn1 96206926 YDDUGWHRXXNCCE-HNAYVOBHSA-N 357.458 2.371 0 40 FEAB O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 96050779 CYLYVVAGTRHAQB-FQEVSTJZSA-N 351.406 2.439 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccccc1 96520064 NOSZZBBAKYLCFO-ZJUUUORDSA-N 374.627 2.482 0 40 FEAB O=C(CCN1CCc2ccccc21)N1CCC[C@@H](c2ccnc(O)n2)C1 257250010 JKPYSMPCOOQPDA-MRXNPFEDSA-N 352.438 2.341 0 40 FEAB Cc1nc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)cn1C 585138574 FWUHHYYSATXIEM-LBPRGKRZSA-N 368.890 2.281 0 40 FEAB CCCn1cc(CN2CCC[C@H]2c2nc(C)ncc2CNC(C)=O)cn1 257327639 XCDRBFHYIGMBKU-SFHVURJKSA-N 356.474 2.365 0 40 FEAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 257250574 JNBPLZSWUJYKDW-OAHLLOKOSA-N 352.438 2.273 0 40 FEAB O[C@]1(Cc2nc(-c3cnccn3)no2)CCCN(Cc2ccccc2)C1 643839582 JEKJKGNDNGUDNP-IBGZPJMESA-N 351.410 2.096 0 40 FEAB CN1CCN(C(=O)Nc2cc3c(cn2)CCC3)C[C@@H]1c1nc(C2CC2)no1 653433688 GUTSSUOEOYKYNQ-OAHLLOKOSA-N 368.441 2.351 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(=O)O)C1 659173507 NVIQUSWUWVAVLL-MIJXAVMKSA-N 373.327 2.327 0 40 FEAB CCOc1cc(C(=O)N(CC)[C@H]2CCN(C(=O)CCC3CCC3)C2)[nH]n1 1775996667 CPOKYHZMFNTQAY-HNNXBMFYSA-N 362.474 2.452 0 40 FEAB NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccccc3OC3CC3)CC2)O1 1775957896 ROEILANQCMNRBM-FUHWJXTLSA-N 358.438 2.113 0 40 FEAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)ccc1Cl 640875831 ZWFVQJRIIFJYEJ-XYPHTWIQSA-N 352.862 2.131 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 585100873 ZWFBBNFLMFOISW-SFHVURJKSA-N 359.499 2.424 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106297 PBHZNEUTPOGXFZ-MSOLQXFVSA-N 373.472 2.278 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)c1cccnc1 585112424 PXUSVKHKXGRBEX-GOSISDBHSA-N 362.437 2.050 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585278598 UZVXXHYHOMTTSQ-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCC(C)CC2)n(C)n1 585097400 KZUHBQAVQGPKGT-GOSISDBHSA-N 356.518 2.431 0 40 FEAB C[C@@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 585104067 IJJQGTCMGCUXOO-OXJNMPFZSA-N 352.438 2.293 0 40 FEAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)C1CCCC1 96024211 PHWIORGVNZBCIV-UHFFFAOYSA-N 368.481 2.299 0 40 FEAB Oc1cc([C@H]2CCN(CCc3ccccc3)C2)nc(N2CCOCC2)n1 12365913 QZMPMEXJLIBCIL-KRWDZBQOSA-N 354.454 2.051 0 40 FEAB COC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 13668342 GYBJKANYNKKFKC-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 19573655 AMFZWMZXLUHNLM-ZFWWWQNUSA-N 358.417 2.197 0 40 FEAB Cc1cn2c(=O)c(C(=O)NCc3nnc(-c4ccccc4)o3)cnc2s1 19717143 QNUQRNNCXRCALN-UHFFFAOYSA-N 367.390 2.044 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 19755306 CLKPYVCGNHEGQU-MRXNPFEDSA-N 354.410 2.347 0 40 FEAB CC1(C)CN(C(=O)[C@@H]2COCCO2)c2ccc(Br)cc2O1 622986508 BJLBNQYLWAEPLE-ZDUSSCGKSA-N 356.216 2.369 0 40 FEAB O=c1[nH]c2c(cc1CNCCO)c(-c1ccccc1)nn2-c1ccccc1 12146445 IDNWZFILTOUHBB-UHFFFAOYSA-N 360.417 2.463 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 19716998 XBFQRJLMBSXCDN-GOSISDBHSA-N 368.416 2.143 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)c1F 1888860152 KPHUPUIZAQZNPS-BETUJISGSA-N 360.437 2.253 0 40 FEAB CSc1ncc(C)c(N2CCN(c3cc(C)nc4ccnn34)CC2)n1 1888890434 KWGPHASISWMPAV-UHFFFAOYSA-N 355.471 2.185 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4n[nH]cc24)C3)n1 1888906732 BYCCELUVFUDSDD-UGSOOPFHSA-N 351.414 2.137 0 40 FEAB C[C@H](C(=O)Nc1ccc2c[nH]nc2c1)n1nc(C(F)(F)F)ccc1=O 1888951549 QYJLJDJGAKJYCL-MRVPVSSYSA-N 351.288 2.338 0 40 FEAB Cn1ccnc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840600 OKEVLTKKJWGPFT-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccc(F)cc3)cnc21 12440120 VAFFJGZXXRNBTJ-UHFFFAOYSA-N 371.416 2.194 0 40 FEAB CC(=O)Nc1ccccc1OCC(=O)NC1=NN(c2ccccc2)CC1 15108355 AKDOXTMRIIFMNY-UHFFFAOYSA-N 352.394 2.364 0 40 FEAB COc1ccc(CCNc2nc(=O)c(Cc3ccccc3)n[nH]2)cc1OC 16806914 TZCPULMICPYXOV-UHFFFAOYSA-N 366.421 2.428 0 40 FEAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccccn2)cn1 2055745979 WWFSKUAGCRPIHW-IPMKNSEASA-N 353.422 2.374 0 40 FEAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(C(=O)C(C)(C)C)C2)C1 2055835213 OMUXZFKJLCXAIL-HXUWFJFHSA-N 372.469 2.224 0 40 FEAB O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NCc1ccc(F)cc1 23139592 COIOQHPGVGDKBS-UHFFFAOYSA-N 374.441 2.434 0 40 FEAB O=C(Cn1cncn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2086865896 AGCFCRSQFAAWDN-UHFFFAOYSA-N 356.817 2.281 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@@H](CN(C)C)CO2 72395243 QCKSAKOZTZDKTA-AZUAARDMSA-N 353.466 2.346 0 40 FEAB Cc1nc2ccc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc2nc1C 40012967 AWJFUIYTKZYMJD-KRWDZBQOSA-N 356.470 2.333 0 40 FEAB COc1cccc(C(=O)NCCNC(=O)c2cc3cc(F)ccc3[nH]2)c1 40059538 DMLRKSNLNQQVGQ-UHFFFAOYSA-N 355.369 2.475 0 40 FEAB c1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)nc3)cn2)cc1 30637137 ZQLFLJKAKMKQTE-UHFFFAOYSA-N 363.465 2.453 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11637581 DBCFCPZLYWYBSI-UHFFFAOYSA-N 363.826 2.475 0 40 FEAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NCCc1cccs1 7824459 MLJVXJFNBNKVFT-UHFFFAOYSA-N 359.476 2.367 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1F)NCCc1ccccc1 790491 KLHGRRPAGUSQHN-UHFFFAOYSA-N 357.414 2.252 0 40 FEAB O=C(C[C@@H](c1ccccc1)C1C(=O)NC(=S)NC1=O)c1cccs1 1085940 RRSHPNNGXLNXGY-NSHDSACASA-N 358.444 2.252 0 40 FEAB Cc1cc(C)cc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 2655826 MAUHZDNUYZIQDD-UHFFFAOYSA-N 369.373 2.439 0 40 FEAB aggregator Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(F)cc1 2663714 JGFWSTKANDQMJL-UHFFFAOYSA-N 365.434 2.338 0 40 FEAB Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1 2631431 HSFGUGRHASQDRX-UHFFFAOYSA-N 359.860 2.364 0 40 FEAB aggregator CSc1ccccc1NC(=O)CN(C)S(=O)(=O)N1CCCCCC1 32895540 WRLWZXQVIOGWKG-UHFFFAOYSA-N 371.528 2.400 0 40 FEAB O=C(COc1ncnc2ccc(Br)cc12)NC[C@@H]1CCCO1 2662016 DIZAKNCSYBVEGH-NSHDSACASA-N 366.215 2.066 0 40 FEAB CC1CCN(S(=O)(=O)c2csc(C(=O)NC[C@@H]3CCCO3)c2)CC1 6680715 FTMFTATVBOZZQE-ZDUSSCGKSA-N 372.512 2.078 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 32907986 ICKXLVULPOELOS-UHFFFAOYSA-N 364.511 2.038 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1nc2ccccc2s1 57635113 DFPBAOYKRNYJTA-UHFFFAOYSA-N 372.450 2.167 0 40 FEAB Cc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)c1 23077827 YKKNHSNKSTZAES-UHFFFAOYSA-N 360.454 2.497 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)cc1 920650 VZZFWABQPUJRGX-IBGZPJMESA-N 363.417 2.335 0 40 FEAB CC(C)(C)c1ccc(-c2nnc(SCCS(C)(=O)=O)n2N)cc1 59404983 HNVQQDWXWRLSIW-UHFFFAOYSA-N 354.501 2.093 0 40 FEAB COC(=O)c1cc(C)nc2c1c(C1CC1)nn2CC(=O)NC1CCCC1 12396393 OQEWCNWIJSIIOO-UHFFFAOYSA-N 356.426 2.463 0 40 FEAB Cc1c(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cnn1C 100752964 PELLVAMOSHWEQH-UHFFFAOYSA-N 354.458 2.333 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H](C)c2nnc3ccccn23)cc1OC 25086307 DFDVWLXOFNVVII-ZDUSSCGKSA-N 369.425 2.349 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)cc1F 57424729 IPOQANVGPHYUAF-GFCCVEGCSA-N 355.362 2.425 0 40 FEAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1 3245815 LVFWHKRRAQEZDO-UHFFFAOYSA-N 373.858 2.060 0 40 FEAB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1 58173671 NYXWIPKUVAWKMI-INIZCTEOSA-N 363.435 2.439 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 58343909 SGINMHWMCQHBPK-HUUCEWRRSA-N 374.485 2.306 0 40 FEAB COc1ccc(CCC(=O)N2CCN(c3nccs3)CC2)cc1OC 10673521 AGAQOCFTUHIQOA-UHFFFAOYSA-N 361.467 2.442 0 40 FEAB O=C(OCc1ccccn1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 59001128 CHZUTIWATFUOPO-MRXNPFEDSA-N 364.398 2.117 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Nc1nnc(-c2ccco2)s1 48236620 QHUVONQHTSGARP-UHFFFAOYSA-N 356.363 2.162 0 40 FEAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NCc1ccc(F)cc1 16795521 VSWJVPGYQRNEOV-LLVKDONJSA-N 359.357 2.178 0 40 FEAB CCCNC(=O)CCC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 69155817 WDRCFQPBSXXYJM-UHFFFAOYSA-N 367.440 2.352 0 40 FEAB CNC(=O)NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C 3518369 MWXCJYYJOKPYTK-UHFFFAOYSA-N 369.171 2.116 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)NC(=O)NC2CCCCC2)C(=O)N1c1ccccc1 12926790 IGNZDFTZIVJPJR-CYBMUJFWSA-N 372.425 2.002 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCC(C)C 4081392 GRQYWCLJNJRDJV-GTNSWQLSSA-N 350.440 2.046 0 40 FEAB biogenic CC(C)(C)c1cc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc(C(C)(C)C)c1O 4338275 IYIYTHBFRQYSPT-HOTGVXAUSA-N 369.527 2.235 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1NC(C)=O 6316004 VFWJRVKLKIRFSW-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB O=C(COc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCOCC1 14201010 JWZUFJNVUOAGSP-INIZCTEOSA-N 364.442 2.456 0 40 FEAB Cc1ccccc1CNC(=O)CN1CCC(NC(=O)c2ccoc2C)CC1 66891157 GOPMGICTICCNTQ-UHFFFAOYSA-N 369.465 2.407 0 40 FEAB Cc1ccc2nc(CSc3nnc(-c4cccnc4)n3C)cc(=O)n2c1 8752902 NTHHEJGLAMTKEB-UHFFFAOYSA-N 364.434 2.486 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCCc2ccccc21 7001112 PIVZDFVPJRXAOB-INIZCTEOSA-N 352.390 2.339 0 40 FEAB CC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)NC(=O)N=C1O)[C@@H]1CCCCCN21 9242502 CUDNMHDNCXSGME-HNNXBMFYSA-N 370.409 2.143 0 40 FEAB biogenic CC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(F)c1 9498445 GFDGEXFEQLTMFK-GOSISDBHSA-N 373.336 2.350 0 40 FEAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 113941356 ZOUAWHFBGWYCMX-JTQLQIEISA-N 362.879 2.418 0 40 FEAB C[C@@H](C(=O)NCCc1n[nH]c(-c2ccco2)n1)N1CCc2ccccc21 97212455 KDVHPRXMXNRBMG-ZDUSSCGKSA-N 351.410 2.175 0 40 FEAB CC[C@@H]1C(=O)NCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 84735424 ZFCLKABKTXQVMA-GOSISDBHSA-N 352.438 2.165 0 40 FEAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@@H](c2ccccc2)O1 78520188 XZIPYOYPCNOKBP-SJCJKPOMSA-N 350.374 2.172 0 40 FEAB O=C(Nc1ccn(Cc2ccccc2F)n1)c1cnc2sccn2c1=O 28233862 PMDXEFUFPYFCOB-UHFFFAOYSA-N 369.381 2.392 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 11866780 MRAFGCJDNGSOEL-ZMZPIMSZSA-N 361.394 2.350 0 40 FEAB biogenic CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306143203 XVVWRSCPHKETRD-INIZCTEOSA-N 371.466 2.320 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 36391141 DRLGVCDELSZVOV-UHFFFAOYSA-N 353.378 2.064 0 40 FEAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218637279 GJRVVXVSWMWEFA-JYJNAYRXSA-N 355.818 2.109 0 40 FEAB C[C@@H]1Cc2c(NC(=O)c3cc(-c4ccccc4)on3)nn(C)c2NC1=O 35597791 LJFHQSLSAMIMTQ-SNVBAGLBSA-N 351.366 2.458 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3[N+](=O)[O-])C2=O)o1 33706448 JGMAZDKGRGWVLB-WQLSENKSSA-N 371.305 2.067 0 40 FEAB Cc1cc(C)nc(NCCC(=O)Nc2ccc(Cn3cncn3)cc2)n1 79478863 ZTERCRAVKHHOCL-UHFFFAOYSA-N 351.414 2.174 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cc(CC)no3)ccc21 72390415 BMZYFNMKURCKJI-UHFFFAOYSA-N 363.439 2.015 0 40 FEAB O=C(O)c1ccc(N2CCCN(c3nc(O)c4ccccc4n3)CC2)nc1 571288282 WUKORRVHQNDBOW-UHFFFAOYSA-N 365.393 2.145 0 40 FEAB CCSc1nnc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)s1 222869084 QQYXULCNEZMMCG-UHFFFAOYSA-N 372.497 2.055 0 40 FEAB CCOc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 223768065 OSEVCEDMAJRKFU-UHFFFAOYSA-N 362.451 2.486 0 40 FEAB Cn1cnc(CCNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 582471636 HHTVMKFKOGIVPJ-GUDVDZBRSA-N 354.454 2.177 0 40 FEAB COc1ccc(CCNC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 94993054 KMKNWSZNHZLWTO-AWEZNQCLSA-N 351.406 2.325 0 40 FEAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1 96062357 DYJPZPIFDMKOEO-FQEVSTJZSA-N 358.461 2.284 0 40 FEAB O=C(O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(c1ncccn1)C2 96185224 HHXWZZPWPSMQAN-KSSFIOAISA-N 358.467 2.341 0 40 FEAB Nc1nc2c(c(N3CC[C@]4(CCCN(C5CCCC5)C4=O)C3)n1)CCC2 91987874 RTBWQDJSUXWMJH-HXUWFJFHSA-N 355.486 2.309 0 40 FEAB Cn1cc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 248101824 DYNHYPXGSFAQGI-PMACEKPBSA-N 356.470 2.403 0 40 FEAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)on1 257320464 VWXTXAZBJGDTKB-LJQANCHMSA-N 358.442 2.029 0 40 FEAB C[C@@H]1CN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@H]1O 257343985 ZVGKDHDIGHVFJB-CXAGYDPISA-N 351.410 2.396 0 40 FEAB CC(=O)N1CCC[C@H](Cc2cnc(-c3cnc4ncccn34)cn2)CC1 257229174 FWZISCPYEIEIRX-HNNXBMFYSA-N 350.426 2.377 0 40 FEAB CN(C(=O)c1cncc(Cc2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 257287245 PPDHKVNZGYRNNG-KRWDZBQOSA-N 362.426 2.071 0 40 FEAB NC1CCN(Cc2cnn3c(O)cc(CCc4ccccc4)nc23)CC1 257210986 BWYMWPGJKTUWJO-UHFFFAOYSA-N 351.454 2.143 0 40 FEAB CSCC[C@@H](NC(=O)CSC)C(=O)Nc1ccc2oc(O)nc2c1 609171710 MTYVPQGIRYBESE-SNVBAGLBSA-N 369.468 2.073 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)NC1=O 630271078 DRBUDVKAKBYNFX-OXIQGZBJSA-N 358.394 2.121 0 40 FEAB O=C(c1ccc2c(c1)CCOC2)N1CCN(CCc2ccncc2)CC1 636293071 RHSDRTBSRCOHQW-UHFFFAOYSA-N 351.450 2.155 0 40 FEAB O=C(NCCc1ccnc2ccccc12)N[C@H]1C[C@@H]2CCCCN2C1=O 661299930 GFBPTBIBTAUBIY-YJBOKZPZSA-N 352.438 2.230 0 40 FEAB CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)C1 668278099 YBSCRAWQJIGOBV-SMDDNHRTSA-N 369.439 2.322 0 40 FEAB Cc1cc(Br)cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 682611284 VEBBAMWUGHTGTP-BPNCWPANSA-N 351.244 2.484 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 1775957675 HOBMXCFBJMAKJX-RCCFBDPRSA-N 370.453 2.331 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)C4CC(F)C4)C3)C2=O)n1 585100996 RFJXYJVXAWOZCR-ALLBUHFWSA-N 359.445 2.479 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2cccnc2N)[C@@H]1Cc1ccccc1 585281524 YQRSBRSVEBHUPU-ROUUACIJSA-N 352.438 2.016 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H]2CO)C3)c1 585104603 RFPJIGWONLHURD-PMACEKPBSA-N 372.509 2.463 0 40 FEAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(Cc1ccco1)C2 585110901 XGMGHASAKJQPEZ-OAHLLOKOSA-N 356.451 2.490 0 40 FEAB CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C1 629813286 JFKPGOVFDXUJNV-OIISXLGYSA-N 354.454 2.357 0 40 FEAB Cc1c(Cl)cccc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 5084239 PWWZYYAVINMZJY-VIFPVBQESA-N 359.817 2.173 0 40 FEAB Cc1ncc2c(n1)C1(CCN(C(=O)c3cnn(C(C)C)c3)CC1)OCC2 12126135 JGJIQZCXQOZCDQ-UHFFFAOYSA-N 355.442 2.267 0 40 FEAB COc1cccc2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12 12444402 OPQKZZQXSRELCG-UHFFFAOYSA-N 357.439 2.001 0 40 FEAB Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 13483742 ATEHIWJVBZBHQS-UHFFFAOYSA-N 361.427 2.237 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)c1 19551297 LEGUPHVFBXXODJ-HNNXBMFYSA-N 373.409 2.488 0 40 FEAB CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@H]2CCCNC2)n1 19709696 UXYROWLLWBVEOE-KRWDZBQOSA-N 367.497 2.495 0 40 FEAB C[C@H](c1cc(=O)[nH]c(NCc2ccccn2)n1)n1ncc2ccccc2c1=O 19717513 IYHQWRBNVXXJLY-CYBMUJFWSA-N 374.404 2.096 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 6597150 GCBIPDADQKDAPZ-UHFFFAOYSA-N 354.472 2.156 0 40 FEAB CCCc1nnc(SCC(=O)NCc2ccco2)n1C[C@H]1CCCO1 35313118 KYAGVGPAUNOPEB-CQSZACIVSA-N 364.471 2.411 0 40 FEAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2nccn2C)C[C@H]3OC)c1 643551110 JKUYCGQBOIMDHW-YVWKXTFCSA-N 357.454 2.202 0 40 FEAB CC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2cccc(Br)c2)C1 652389781 GGVSFDCDIWFRNW-KGLIPLIRSA-N 355.232 2.175 0 40 FEAB O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13268129 ONWVWWPJCDUMFS-UHFFFAOYSA-N 353.426 2.494 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)oc2ccccc12 19710668 ZMUIFUCRNKRRJD-OAHLLOKOSA-N 365.437 2.456 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6049694 BIBOMPYIUHOWBV-UHFFFAOYSA-N 362.242 2.362 0 40 FEAB CC(C)c1nccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 1888899315 QOPWBWYYQNAHJC-UHFFFAOYSA-N 364.457 2.401 0 40 FEAB Cn1cc(-c2cncc(N3CCN(c4nc5ccccc5o4)CC3)n2)cn1 2087156987 JZOMLPMAXYAVEK-UHFFFAOYSA-N 361.409 2.345 0 40 FEAB CCCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 5076436 DNRWQQDKFHBYNH-UHFFFAOYSA-N 369.425 2.208 0 40 FEAB CCc1ccc(NC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)cc1 20488790 PZSQBVPKFQLXIS-UHFFFAOYSA-N 367.380 2.339 0 40 FEAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCc1ccncc1 23231111 PILGDCPYXZLNGJ-UHFFFAOYSA-N 354.797 2.275 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc3ccc(F)cc3s2)CC1 2086868901 YMUXTZZPEVERAP-LBPRGKRZSA-N 350.463 2.471 0 40 FEAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)NC1CCCCC1 49399306 CQHIHMDHFHMEGU-UHFFFAOYSA-N 351.410 2.007 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccncc4Cl)C3)n2)n1 585606202 UGUVCDZZDUDRHO-UHFFFAOYSA-N 370.844 2.231 0 40 FEAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cc(=O)[nH]c2ccccc12 40024670 XLBLZUCJLKHYHF-UHFFFAOYSA-N 359.389 2.098 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 40111476 GDWKWVGLLQLJFN-SGTLLEGYSA-N 357.362 2.405 0 40 FEAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20292183 ZZTGNNZVIKVYFP-WUKNDPDISA-N 364.405 2.114 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnccn3)cc2)C1 879115 FJBWNHHGLGQPDD-ZDUSSCGKSA-N 360.439 2.150 0 40 FEAB NC(=O)c1ccc(NC(=O)c2ccn(COc3ccccc3F)n2)cc1 2798284 RAPZJMNIKMCXOB-UHFFFAOYSA-N 354.341 2.410 0 40 FEAB COc1ccc(CCS(=O)(=O)CC(=O)NC2CCCCCC2)cc1 32854116 UOSMLTQGYMOTDS-UHFFFAOYSA-N 353.484 2.492 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)[C@H]2C1 8473041 SRCKDNNRWPUCEM-SJORKVTESA-N 354.406 2.005 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(-n3ccc(C(N)=O)n3)c2)cc1 32932369 OMPMBKFINLCIOI-UHFFFAOYSA-N 356.407 2.080 0 40 FEAB COC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)n1 52777038 KSVAZIDOXZVBGQ-UHFFFAOYSA-N 374.422 2.395 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccc(Cl)cc2C1 46422852 IHMAZBFTXPZQSB-GDBMZVCRSA-N 372.856 2.466 0 40 FEAB O=C1O[C@@H](C(=O)NCCc2cc(F)cc3c2OCOC3)Cc2ccccc21 52901211 JMYFUQBUEMOMRY-QGZVFWFLSA-N 371.364 2.133 0 40 FEAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 53666873 ADBKXXJKWWHWAZ-UHFFFAOYSA-N 351.255 2.101 0 40 FEAB COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57721639 ICHCTNHHJDBSAQ-GOSISDBHSA-N 373.453 2.399 0 40 FEAB CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958401 MKOKYSPXBYNZJO-WCBMZHEXSA-N 352.412 2.456 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1013728 ZEAJPTXSBHXZSG-UHFFFAOYSA-N 352.799 2.417 0 40 FEAB COc1cccc2cc([C@H](C)NC(=O)[C@@H]3CCCN3S(C)(=O)=O)oc12 25199818 PVQMOJGWSXJZMM-AAEUAGOBSA-N 366.439 2.043 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108535018 BPBFVIDPVOWRIU-UHFFFAOYSA-N 374.529 2.360 0 40 FEAB CC(C)CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 35301286 XMDRDBXGMMXYNI-UHFFFAOYSA-N 352.866 2.262 0 40 FEAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NCC2CCCCC2)nc1N 12557524 RCEWTJNLPWTLLC-LLVKDONJSA-N 366.487 2.413 0 40 FEAB O=C(CN1CCN(c2cnccn2)CC1)Nc1ccccc1C(F)(F)F 57383404 NVKAAQIYWGSFLT-UHFFFAOYSA-N 365.359 2.256 0 40 FEAB Cc1ccc(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)c(C)c1 12544531 BYWLZFSQWCVBLR-OAHLLOKOSA-N 353.422 2.121 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 10334571 RHYRAWYKEUBKJD-MRXNPFEDSA-N 362.451 2.039 0 40 FEAB CSc1nc(C)c(CCC(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1 57820802 BZFOJCZESZCOOI-UHFFFAOYSA-N 352.504 2.121 0 40 FEAB CO[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 61468601 WNTMBCLHUSGFMR-HXUWFJFHSA-N 368.433 2.447 0 40 FEAB CC(=O)NCCC(=O)NCc1cc(Br)ccc1OC(F)F 58210027 LJVZPEAKQIOJOI-UHFFFAOYSA-N 365.174 2.193 0 40 FEAB C[C@H](NC(=O)NCC(=O)NC(C)(C)C)c1ccc(NC(=O)C2CC2)cc1 58213892 VTYALHZNKBZHRA-LBPRGKRZSA-N 360.458 2.310 0 40 FEAB Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCC3)cs2)cc1 58394333 IFRPKGWVSQZDIR-UHFFFAOYSA-N 350.465 2.266 0 40 FEAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1CCCN1CCCC1=O 36576587 VOGSVKHHKDBHND-UHFFFAOYSA-N 366.421 2.165 0 40 FEAB CN1C(=O)c2ccc(NC(=O)C[C@](C)(C(=O)O)c3ccccc3)cc2C1=O 13252393 ZHSKUBYYBCZGCY-FQEVSTJZSA-N 366.373 2.284 0 40 FEAB COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 49547556 LPOZACQEIYBCQE-LBPRGKRZSA-N 356.357 2.093 0 40 FEAB COC(=O)c1ccc(CNC(=O)COC(=O)c2sc(C)nc2C)cc1 5040643 SLKUBBVJMCIQBK-UHFFFAOYSA-N 362.407 2.020 0 40 FEAB O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccccc1O 65219296 CWWOJWHUKBHMMB-UHFFFAOYSA-N 356.422 2.033 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 17636007 MSDKKWCRXWGFHJ-WCBMZHEXSA-N 352.239 2.064 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 4515456 GNJQTAQYUMHNGE-SGTLLEGYSA-N 363.845 2.457 0 40 FEAB O=C(COc1ncnc2sc(-c3ccccc3)cc12)N1CCNC1=O 6582723 XQUOIAHSKLVTCI-UHFFFAOYSA-N 354.391 2.289 0 40 FEAB COc1ncccc1CN1CCC2(CC1)c1ccccc1N(C)S2(=O)=O 306134434 NNDXFGFTTXPGSK-UHFFFAOYSA-N 373.478 2.361 0 40 FEAB Cn1cc(C(=O)N2CC3(C[C@@H](COCC4CC4)CCN3CC3CC3)C2)cn1 306144920 ZSENMVRAASBQJH-SFHVURJKSA-N 372.513 2.163 0 40 FEAB Cc1cc(O[C@@H](C)C(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCC3 6658942 ZEHXRCCUOFHGMP-AWEZNQCLSA-N 372.465 2.425 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679873 UXIZEBUOYSDUNY-XIKOKIGWSA-N 361.467 2.233 0 40 FEAB COC(=O)c1cccc(N[C@@H]2CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1 6831156 ZDTZYAJPJLWVDY-QGZVFWFLSA-N 366.373 2.420 0 40 FEAB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)N(C)C 6981030 ZFKMIWGPSGKPSV-CYBMUJFWSA-N 368.462 2.409 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O 15190136 YTUWNRHRFYUUTB-UHFFFAOYSA-N 351.406 2.439 0 40 FEAB O=C(c1cnccn1)N1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306134609 NTMOMSWHUULNFU-INIZCTEOSA-N 371.404 2.211 0 40 FEAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1 16084556 NUTAGCFLKWFFMY-UHFFFAOYSA-N 356.463 2.139 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1 16101087 NKRUKEDHSBVLAS-UHFFFAOYSA-N 367.354 2.200 0 40 FEAB CCCCc1nc(C)cc(N2CCN(c3cc(C)nc4ncnn34)CC2)n1 96011556 FIYAWRUGHCXDMH-UHFFFAOYSA-N 366.473 2.200 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(N[C@H]2CCN(C)C2=O)ccc1Cl 176905144 UPRONQJRJVVCKJ-ZDUSSCGKSA-N 359.879 2.013 0 40 FEAB COc1cc(CN(C)C(=O)Cn2ccc(=O)c3ccccc32)ccc1O 83862064 RREDSJLRRJLOHM-UHFFFAOYSA-N 352.390 2.374 0 40 FEAB COc1cccc(CN2CCC[C@@H](NC(=O)c3cnn4cccnc34)C2)c1 72462995 WASPFZPKXOJOIO-MRXNPFEDSA-N 365.437 2.132 0 40 FEAB C[C@@H](CC(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCCC1 78553887 VDBHQSOHSNCWDW-AWEZNQCLSA-N 362.561 2.088 0 40 FEAB O=C(NCCc1nc2cc(F)ccc2s1)c1cnc2sccn2c1=O 79095347 BIEJNYFYTXJSFM-UHFFFAOYSA-N 374.422 2.477 0 40 FEAB CCc1nc(C2(NC(=O)CN(C)C(=O)OC(C)(C)C)CCCC2)no1 89289985 WRANFXUKTAVJLO-UHFFFAOYSA-N 352.435 2.384 0 40 FEAB O=C1C[C@@H](c2ccc(OCCOc3ccccc3)cc2)N2NC=NC2=N1 409379658 ZGZKGPNLJCWGSQ-KRWDZBQOSA-N 350.378 2.320 0 40 FEAB CC(=O)c1ccc(C)cc1OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 170697687 NLIXBHVSWVBTAQ-UHFFFAOYSA-N 372.465 2.437 0 40 FEAB COC(=O)Cc1c(/C(Cl)=C\C(=O)O)oc2cc(C)cc(O)c2c1=O 31160874 OIGIYRMZWBAKKC-RMKNXTFCSA-N 352.726 2.187 0 40 FEAB biogenic,in-vitro C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(C(=O)CO)CC[C@@]12O 13400531 NTTRGAIOMZIGLW-HXNIKFORSA-N 364.482 2.006 0 40 FEAB biogenic CCOc1ccc(-c2noc(CNC(=O)CCc3c(C)n[nH]c3C)n2)cn1 225816765 UFISHKSFGCCQKI-UHFFFAOYSA-N 370.413 2.119 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)c1 225925209 WYQDFXDRZUWFLV-UHFFFAOYSA-N 352.500 2.476 0 40 FEAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C1 223201959 NGCORUDRTSVNNX-UZLBHIALSA-N 357.454 2.333 0 40 FEAB CC(C)Oc1ccc(CNC(=O)c2noc(-c3ccc[nH]c3=O)n2)cc1 96125559 CHZQFCCBYKJTDA-UHFFFAOYSA-N 354.366 2.142 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@H]21 96066339 CXDJRCKPUNAUOB-OWCLPIDISA-N 358.467 2.086 0 40 FEAB Cc1cccc([C@@H](O)[C@](Cl)(I)S(C)(=O)=O)c1 96520035 OGQNWPFZVBTHRB-ZJUUUORDSA-N 374.627 2.401 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 96065011 QYXIRPYNGOWEOP-SJLPKXTDSA-N 352.500 2.338 0 40 FEAB COC[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242495365 GDGCIHOTFGMORB-JZXOWHBKSA-N 364.394 2.483 0 40 FEAB Cc1ccsc1CN1CC2(CC[C@@H](CNC(=O)c3ccno3)CO2)C1 253599298 NQCZLPDUOHJHRJ-AWEZNQCLSA-N 361.467 2.456 0 40 FEAB COc1cc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc(C)n3)C2)on1 257226646 FLNVLIZKAMZHEP-OAHLLOKOSA-N 358.442 2.447 0 40 FEAB CN(C)C(=O)[C@]1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 257224588 FCKWISQEMXYJGH-FQEVSTJZSA-N 372.421 2.324 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2ccccc2)C1)NCc1ccc(F)cc1 257249382 JIBHCIXRMFKOTD-NRFANRHFSA-N 372.440 2.348 0 40 FEAB O=C(Cc1ccccc1F)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257230213 GBIHCOHFGDJSCC-QGZVFWFLSA-N 356.388 2.063 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2cnccn2)CC1 85471868 HIJMRCAMNRCZKS-UHFFFAOYSA-N 351.362 2.267 0 40 FEAB O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1C[C@@H]1CCCO[C@H]1c1cn[nH]c1 629495926 WNMGWQQABPHEIJ-XPYWIHLFSA-N 358.442 2.473 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3ccnn3C)c2)c2cccnc12 48063514 JOSAJTPLAFSOPJ-UHFFFAOYSA-N 362.393 2.479 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cccnc2OCC(C)C)C1 1775957211 IZSZDMWRHAJSCN-DZGCQCFKSA-N 360.414 2.410 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 1775957309 MYUQJMVGVHZZCT-JEBQAFNWSA-N 370.453 2.113 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)CSc3ccncc3)C2)c1F 390827894 LRWDCHMVCBGZDE-LBPRGKRZSA-N 362.430 2.345 0 40 FEAB COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 585111163 HHKHEEXSXAVTEQ-MRXNPFEDSA-N 355.438 2.118 0 40 FEAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCCc2ccccn2)[C@@H]1O 585280387 HJTNWJUHISFXPZ-AQNXPRMDSA-N 353.466 2.012 0 40 FEAB Cn1nccc1[C@H]1[C@H](NCCOc2ccc(F)cc2)CC(=O)N1C1CC1 500423525 JWFYBJHALLPSFU-VQIMIIECSA-N 358.417 2.032 0 40 FEAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 13467080 XKHWJGLNAIBAQI-QPNXVFALSA-N 358.785 2.382 0 40 FEAB CN1CCc2nc([C@H]3CCN(C(=O)Cc4ccccc4F)C3)ncc2C1 19590621 GGJZUASEYNNQFM-HNNXBMFYSA-N 354.429 2.162 0 40 FEAB Cc1c(C(=O)N2CCN(C)CC2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817116 RSXUAFIFWSDADB-UHFFFAOYSA-N 370.844 2.141 0 40 FEAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 408589563 DUAJJISBPYBPGO-BJMVGYQFSA-N 359.165 2.369 0 40 FEAB O=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21 5781924 CECHAZBCDJNLOV-UHFFFAOYSA-N 370.380 2.078 0 40 FEAB aggregator CCCn1c(-c2cccnc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 6024450 DDOGQSAQDBPKAA-UHFFFAOYSA-N 361.405 2.407 0 40 FEAB Cc1nccc(N2CCC(Oc3ncc(Br)cn3)CC2)n1 1888843301 AKVBIMPJJZQZKG-UHFFFAOYSA-N 350.220 2.385 0 40 FEAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(C)cc(C)c3)c2=O)c1 2973278 UYMAVLNZCNUCIL-UHFFFAOYSA-N 365.389 2.404 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O 4370356 VZRIPUJNWQDHIX-UHFFFAOYSA-N 351.410 2.084 0 40 FEAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccco3)c2n1 8941884 DLFFKJJAJVDTRQ-UHFFFAOYSA-N 360.443 2.392 0 40 FEAB O=c1cccnn1CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 11856373 PRCCAJOJNQJOQD-UHFFFAOYSA-N 371.418 2.014 0 40 FEAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)Cn1c(=O)oc2ccccc21 225788816 OPKOYSRVUIMJTG-MRXNPFEDSA-N 352.390 2.194 0 40 FEAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c1 49403951 IHBLXWXSLJXTMC-UHFFFAOYSA-N 370.434 2.210 0 40 FEAB COc1nc(CNC(=O)c2sc(-c3ccccc3)nc2C)nc(OC)n1 575608631 WJVUXGLMXWODAZ-UHFFFAOYSA-N 371.422 2.251 0 40 FEAB O=c1cc2c(nn1CC1CCN(c3ccc4nccn4n3)CC1)CCCC2 585500731 OSIWFADRJSWQRD-UHFFFAOYSA-N 364.453 2.081 0 40 FEAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CCc4nc[nH]c4C3)nc21 220551435 NIDYTCKWDIRVNO-NXEZZACHSA-N 360.439 2.203 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](OCCO)c2ccsc2)c(C)c1 575621746 SKMXBEJOYIRJQS-HNNXBMFYSA-N 371.480 2.094 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)CC)cc2)n1 5241762 HTIRVUKODBPFIL-UHFFFAOYSA-N 368.436 2.366 0 40 FEAB CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 10460158 IHCWUJPAJKIHRC-SFHVURJKSA-N 359.470 2.090 0 40 FEAB COc1ccc(N[C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)cn1 30009620 CEWFZIXKNADEQX-LLVKDONJSA-N 358.398 2.496 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)NC[C@H]1COc2ccccc2C1 30937386 VCTJVABTZATHEZ-ZDUSSCGKSA-N 371.462 2.180 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1OC 100849798 KWGHCGLSACSWSS-AEFFLSMTSA-N 366.373 2.305 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)Cc3c(C)nn(C)c3C)cn2)n1 46311947 IVGJOLUOWRRWHY-UHFFFAOYSA-N 352.442 2.093 0 40 FEAB O=C(O)[C@H](Cc1ccc(C(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F 2028329 JDNZGDOIZNXHGJ-QMMMGPOBSA-N 357.206 2.106 0 40 FEAB COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3cccs3)CC2=O)c1 32795015 KUJVXISQNNLGER-ZDUSSCGKSA-N 374.462 2.477 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1 32833650 HZUOREBCIWQQEK-UHFFFAOYSA-N 356.407 2.486 0 40 FEAB Cc1oc(C)c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1C 41468674 RXCJUMGDINXWDO-UHFFFAOYSA-N 362.451 2.327 0 40 FEAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)NCCc1ccccc1 54672227 ZXUYVWCVQLUIEK-LJQANCHMSA-N 352.434 2.163 0 40 FEAB Cc1cc(NCCC(=O)NC2CCCC2)n2nc(C(F)(F)F)nc2n1 53582612 KHBLWBWVLWXKLS-UHFFFAOYSA-N 356.352 2.312 0 40 FEAB O=c1oc(-c2cccs2)nn1CN1CCN(Cc2ccccc2)CC1 22916860 ORHNREQGGCPMCU-UHFFFAOYSA-N 356.451 2.340 0 40 FEAB Cn1/c(=N\C(=O)[C@@H]2CCCN(c3cnccn3)C2)sc2ccccc21 104480836 UPWLXYNQXNRJAG-WMOYVWFSSA-N 353.451 2.374 0 40 FEAB COc1ccc(-c2nc(COC(=O)CN(C)c3ncccn3)co2)cc1 23199488 DZNZQXNMCHVSCB-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2cc3ccccc3oc2=O)CCN1 47229231 YIDSTTUVOYLHTQ-KRWDZBQOSA-N 362.385 2.496 0 40 FEAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 23445497 DGRMRPKHHHBINS-UONOGXRCSA-N 362.451 2.287 0 40 FEAB Cc1nn(C)c(C)c1-c1ccnc(NCc2nc(-c3ccncc3)n[nH]2)n1 23619303 UTXNPQLNXXGBLR-UHFFFAOYSA-N 361.413 2.286 0 40 FEAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)NC1CCCCCC1 9883135 BLVPPWJIIQDJOP-KRWDZBQOSA-N 357.454 2.379 0 40 FEAB O=C(OCc1cc(F)cc2c1OCOC2)C1CCN(C(=O)C2CC2)CC1 24420522 ZEPOEOICNFJLJE-UHFFFAOYSA-N 363.385 2.384 0 40 FEAB CC1(C)OC[C@H](COc2c(F)c(N3CCOCC3)nc(F)c2Cl)O1 1258241 WNOOCLQDMXSNLZ-VIFPVBQESA-N 364.776 2.380 0 40 FEAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 101407743 SVODXASRTNDFIO-IYWMVGAKSA-N 373.412 2.463 0 40 FEAB Cc1nc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)oc1C 55237856 ZBTQTXOCIAQPHO-UHFFFAOYSA-N 365.480 2.430 0 40 FEAB CCCCCN(C(=O)NC(=O)Nc1ccc(Cl)cn1)S(C)(=O)=O 3191146 QZOLGRNRALCKDT-UHFFFAOYSA-N 362.839 2.428 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 12560662 QLKUQRFYKYFGBX-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1CO 100149945 HKHAUOIDMQHNGH-ROUUACIJSA-N 371.481 2.041 0 40 FEAB Cc1cnc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cn1 43837862 LVWUCECOLPVIPN-QGZVFWFLSA-N 360.845 2.242 0 40 FEAB Cc1cc(C)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)c(C)c1 35334093 WQGOIIACVDIAQW-GOSISDBHSA-N 351.450 2.463 0 40 FEAB NC(=O)CCN(C(=O)CSc1nccn1C1CC1)c1ccc(F)cc1 12539896 KDLSNIRAZUGDNF-UHFFFAOYSA-N 362.430 2.358 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1/C=C/c1ccccc1OC 26532909 NYGQOPKTDQIOAU-VFNNOXKTSA-N 362.451 2.018 0 40 FEAB CC[C@@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 2099081 NNRKEKIDBFYMDE-LLVKDONJSA-N 352.456 2.384 0 40 FEAB biogenic COc1ccc(-c2cnn(CC(=O)Nc3ccc(F)cc3C)c(=O)n2)cc1 44804189 MUHNOSALTWFPEQ-UHFFFAOYSA-N 368.368 2.400 0 40 FEAB NC(=O)[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 10268154 AFNGQRWDWTWVDZ-OAHLLOKOSA-N 360.797 2.458 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 58218389 DACRWUNVKUZXFM-OAHLLOKOSA-N 359.813 2.492 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)OCc1cncc(Br)c1 58398262 DILIVVCOQRZCOL-VIFPVBQESA-N 350.234 2.099 0 40 FEAB Cc1ccc(NC(=O)CCNC(=O)Nc2ccc3c(c2)OCCO3)nc1 58333204 RFJAFDBOBXOXLG-UHFFFAOYSA-N 356.382 2.312 0 40 FEAB O=C(N[C@H]1CCCCNC1=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48103188 QTKDQNLTMKKURL-JTQLQIEISA-N 365.739 2.075 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2C1=O 45289771 GVIZHCGJZXHFPH-UHFFFAOYSA-N 360.373 2.410 0 40 FEAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)O[C@@H]1CCOC1=O 3316844 KEASVTSHTMAQQC-MRXNPFEDSA-N 355.346 2.067 0 40 FEAB O=C(Cn1ccnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10809275 OMIDJKNQWBYQTE-UHFFFAOYSA-N 354.332 2.377 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 48234642 WCUXQMMQKURQLL-AWEZNQCLSA-N 369.421 2.202 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 11448937 SUCVCAKJQJALAO-SECBINFHSA-N 365.480 2.476 0 40 FEAB CCCCc1nc2cc(NC(=O)c3ccc(=O)n(CCOC)n3)ccc2[nH]1 48339893 ANHCTBDWICFFBE-UHFFFAOYSA-N 369.425 2.361 0 40 FEAB COc1cc(Br)c(COC(=O)c2nccnc2N)cc1OC 12869532 OVILHUWONKVMLJ-UHFFFAOYSA-N 368.187 2.196 0 40 FEAB O=C1C[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)c2ccc(F)cc2N1 12920660 MZXDEOYTUYXHIA-GXTWGEPZSA-N 356.353 2.208 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@H](c1ccccc1)c1cccs1 12910812 LIKZWOHMWHDDHF-RHSMWYFYSA-N 369.446 2.380 0 40 FEAB O=C1CN(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1 4057988 SSNVOVLETZWOMU-UHFFFAOYSA-N 365.418 2.345 0 40 FEAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)s1 13569773 UDIDEKIWVALCJN-FSPLSTOPSA-N 370.283 2.471 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 18149386 ZTCZMTZTNIWLDZ-ZDUSSCGKSA-N 357.410 2.485 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 8757251 BQYLIGCCQRILOL-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)no1 96005021 YEHZXHCISXRQMP-AWEZNQCLSA-N 364.427 2.421 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2nncs2)cc1 4387825 WDWAIMPPHCHMRR-ZDUSSCGKSA-N 366.468 2.028 0 40 FEAB Cc1ccoc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 8745860 OMTCFOJXUQWGRI-UHFFFAOYSA-N 350.440 2.346 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512388 AXTKAGPZCJURIB-SJLSKNIFSA-N 363.797 2.328 0 40 FEAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NCC 6580969 MWXRGSUPLVDUAD-UHFFFAOYSA-N 361.471 2.217 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccn1 4676118 HAPGVQMZUMHIRG-KRWDZBQOSA-N 355.394 2.018 0 40 FEAB CCN(C)c1ccn2nc3c(c2n1)CN(C(=O)c1scnc1C)CC3 306125249 CKIGPDXRBRQLIH-UHFFFAOYSA-N 356.455 2.149 0 40 FEAB CN(Cc1ccc(-c2ccncc2)cc1F)C[C@@H](O)CN1CCOCC1 93583068 CRPIRWUSIQLQBR-LJQANCHMSA-N 359.445 2.013 0 40 FEAB CC(C)CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 67265249 RONHKJHUWHIXHO-UHFFFAOYSA-N 357.458 2.301 0 40 FEAB CCCCn1c(=O)c(CCC(=O)O[C@H]2C[C@H](C)OC2=O)nc2ccccc21 7392498 XXIXGLARYXJOJM-GUYCJALGSA-N 372.421 2.376 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc([C@@H]2CCCO2)s1 71285531 VYFIGLQHAHVHLX-LBPRGKRZSA-N 373.442 2.015 0 40 FEAB C/C=C/C=C\C(=O)N(CCC(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O 96991113 ZEKJACQODSUEOB-MLMNYHKTSA-N 362.474 2.430 0 40 FEAB Cc1nc([C@@H]2CN(C(=O)c3cccc(Nc4cnccn4)c3)CCO2)no1 95468222 CFTDEMXQRABUHX-HNNXBMFYSA-N 366.381 2.125 0 40 FEAB CCN(CC)C(=O)CCCNC(=O)c1c(Cl)cccc1S(C)(=O)=O 95993653 IBABKDPKKPPYNY-UHFFFAOYSA-N 374.890 2.122 0 40 FEAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CCc2ccccc2)cc1 67896926 MLDCHPFNFURBQR-WIYYLYMNSA-N 368.433 2.149 0 40 FEAB biogenic,in-vitro Cn1c(=O)c2cc(-c3nc4ccccc4[nH]3)c(-c3ccco3)nc2n(C)c1=O 9915596 QNONUZLTQZZHSA-UHFFFAOYSA-N 373.372 2.436 0 40 FEAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1cccs1 22076399 WACBTRNTGQDLSB-AWEZNQCLSA-N 350.484 2.396 0 40 FEAB CCN(CC(=O)NCc1ccccc1OC)S(=O)(=O)c1ccccc1 39985316 OTDDDKBZIJNNNJ-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)NCCCO)cc1)C2=O 408721657 KMANVYLXABRZMQ-MGPUTAFESA-N 358.438 2.115 0 40 FEAB COc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224765885 FMWRFQMEGLSGBW-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB O=S(=O)(NCC1CCN(c2ncccn2)CC1)c1ccccc1Cl 43955466 BHQNSJYPAQCMAA-UHFFFAOYSA-N 366.874 2.325 0 40 FEAB CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccccc1C 224966214 JSRYIFFURDYIIX-LBPRGKRZSA-N 354.457 2.235 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)o1 44889742 TVEVARRXDFIHIR-SNPRPXQTSA-N 352.394 2.312 0 40 FEAB CCCc1nnsc1C(=O)N1CC(c2nc(-c3ccccn3)no2)C1 49031948 WMQULFMHVGJHRZ-UHFFFAOYSA-N 356.411 2.175 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccco1 224211554 CZCKCTLCWALSIF-MRXNPFEDSA-N 366.439 2.149 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1C 224155504 CTLOEHGHLNTKBN-UHFFFAOYSA-N 360.483 2.481 0 40 FEAB Cc1ccc(CN(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 225100431 GUHNIXCFPPHFBC-UHFFFAOYSA-N 350.484 2.373 0 40 FEAB Cc1cc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3ccncc3)C2)c(C)o1 96075085 UVTZOGLUZBSQGT-YLJYHZDGSA-N 353.422 2.460 0 40 FEAB O=C(NCc1ccco1)[C@H]1CO[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 96066025 XPCOZMHZUNFLIW-MDZRGWNJSA-N 355.438 2.218 0 40 FEAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2 96071511 VPSAQXWSAOJMJL-INIZCTEOSA-N 356.875 2.370 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)Cc1ccccc1)C2 96237736 PLDKLMINASSUOY-QFIPXVFZSA-N 363.461 2.179 0 40 FEAB C[C@H]1CCO[C@H](C(=O)Nc2ccccc2OCCN2CCN(C)CC2)C1 585081290 RQDFEOCNPOOJDQ-LPHOPBHVSA-N 361.486 2.066 0 40 FEAB O=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257241639 HYWLLYJAKUNQPV-FPOVZHCZSA-N 351.450 2.323 0 40 FEAB COCCc1noc(CC2CCN(S(=O)(=O)C3CCCCC3)CC2)n1 528474571 NDACLUZXANKOLD-UHFFFAOYSA-N 371.503 2.176 0 40 FEAB CN(C(=O)c1ccnc(Cc2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 257218191 DCESMRYRZHFCRH-MRXNPFEDSA-N 362.426 2.071 0 40 FEAB Cc1ncc(-c2cncc(C3CCN(C4CCN(C)CC4)CC3)n2)n1C 257295399 QYDRRRYMDYYVGO-UHFFFAOYSA-N 354.502 2.459 0 40 FEAB O=C(CC1CCOCC1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257310214 UEEMSNDUINZMNS-KRWDZBQOSA-N 357.454 2.169 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ncccc3O)CC[C@H]21 257244531 ILTVYIPFFIIZBK-KZNAEPCWSA-N 365.433 2.264 0 40 FEAB O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1 645810270 XWTZGTOHLQUYIO-HNNXBMFYSA-N 353.426 2.135 0 40 FEAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc2cc[nH]c12 656857866 YRDOQJVUYSTVIX-KSSFIOAISA-N 351.410 2.134 0 40 FEAB COc1ccc(C[C@H](C)CNC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1OC 664551470 TUBNVVZQCWSQHU-BLLLJJGKSA-N 372.412 2.294 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cnc(C)nc2C)on1 684317760 HVFKXHMVXZBJOG-GJZGRUSLSA-N 361.421 2.074 0 40 FEAB CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cn1cnc(C)c1C)CC2 95504625 XBFHMMJIJKEDDK-UHFFFAOYSA-N 370.501 2.009 0 40 FEAB COc1cccc(CN(C)Cc2nc([C@H]3C[C@H](F)CN3)n[nH]2)c1Cl 1775958102 DADATEJUWHQJMV-NWDGAFQWSA-N 353.829 2.471 0 40 FEAB O=C(c1n[nH]cc1Cl)N1CCC[C@@](O)(COc2cccc(F)c2)C1 585277525 WCZJKKKHIBLTFW-INIZCTEOSA-N 353.781 2.248 0 40 FEAB COc1cccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)c1 585278369 SKVBWOJZWDPDKN-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)CCCn3ccnc3)C2)c1 585272715 PUEJGNHBNZMROL-HXUWFJFHSA-N 357.454 2.404 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)CC(F)(F)F 58953570 PZDNRHAGLJCYFV-UHFFFAOYSA-N 366.405 2.094 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCCN1CCC[C@H](C)C1 58955131 DZYROQIXKVBPSE-HNNXBMFYSA-N 352.500 2.332 0 40 FEAB Cc1ccc2c(CSc3nnc(C)n3CC(=O)N(C)C)cc(=O)oc2c1 58196286 FZJSREWVJGYDGN-UHFFFAOYSA-N 372.450 2.382 0 40 FEAB C[S@@](=O)c1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1 72277563 DCWXCYCBUHLBTC-VWLOTQADSA-N 366.389 2.461 0 40 FEAB C[C@@H](NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1 585188704 JFVTTZVEIMSUKY-UKRRQHHQSA-N 373.478 2.222 0 40 FEAB Cc1ncccc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222771 YPNQIEFHOTVIJA-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB Cc1c(CC(=O)N[C@@H](C)CO)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12893285 BPKMYUTZUXRYAA-NSHDSACASA-N 359.422 2.245 0 40 FEAB biogenic CC(C)n1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cn1 19454909 OYIPZOIKTJRTIJ-HNNXBMFYSA-N 368.485 2.262 0 40 FEAB COCC(=O)N[C@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19584255 ILIAITVWNHYJBI-QGZVFWFLSA-N 354.454 2.466 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1csc(-c2ccncc2)n1 19942583 DWOVTJUFQKXUHB-UHFFFAOYSA-N 364.452 2.331 0 40 FEAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc2nsnc2c1)C3 208035049 ZPJSEHCEYDQGSD-UHFFFAOYSA-N 350.407 2.241 0 40 FEAB COCCN1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 252480029 BSMJXWYFASRNPI-UHFFFAOYSA-N 372.435 2.333 0 40 FEAB COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2 36378770 AHNUBWYOIHCGFN-FQEVSTJZSA-N 353.374 2.252 0 40 FEAB biogenic,in-vitro CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 3441422 AGQJMYLTSBOIGG-UHFFFAOYSA-N 364.442 2.461 0 40 FEAB Cc1noc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)n1 1888890593 CKRKYZFLPFEPOT-CALCHBBNSA-N 362.437 2.403 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc1 1888928916 YJCVQEROZCTRHB-OAHLLOKOSA-N 357.433 2.463 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)cc1C 35269463 AMCAVTUHCAKVFJ-UHFFFAOYSA-N 359.495 2.247 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056223998 LGNKOWNLVBWDLW-ZDUSSCGKSA-N 369.437 2.389 0 40 FEAB Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@@]1(C)CC=CCC1)CCC2 1615103306 PIQPHCZWFIRXFK-IBGZPJMESA-N 354.458 2.310 0 40 FEAB COc1ccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1 706016 ZQPZNLUVLWFRSK-UHFFFAOYSA-N 361.423 2.376 0 40 FEAB CCCN1C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)C(C(=O)OC)=C1C 12411059 XROSSRCCQNPHFD-OAHLLOKOSA-N 364.364 2.149 0 40 FEAB Cc1cc2c(N3CCN(c4ccc(-c5ccccn5)nn4)CC3)nccn2n1 1775974808 RBFBSMXWPJTECD-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB Cn1cc(-c2noc(CNC(=O)c3cccc(C(F)(F)F)c3)n2)cn1 575414643 LYVFNKCUBRGTJP-UHFFFAOYSA-N 351.288 2.419 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)Cn3nnc4ccccc43)Cc3ccccc32)cn1 575618001 CYUMSWQCEKBCKF-SFHVURJKSA-N 372.432 2.339 0 40 FEAB COC(=O)Cn1nc(C(C)C)c2cnn(-c3ccc(C)c(C)c3)c2c1=O 12229159 HKGPENDOGKIVHO-UHFFFAOYSA-N 354.410 2.495 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC(C)C)C2)n(-c2ccccc2)n1 2332241647 RQMSUTZVRQNGHT-USXIJHARSA-N 357.458 2.280 0 40 FEAB Cc1nc(CSCC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cs1 40087304 HREUTQOEEYKBQP-UPJWGTAASA-N 357.545 2.299 0 40 FEAB O=c1cc(CN2CCN(c3nccs3)CC2)nc2ccc(Cl)cn12 40033519 JILDHTRZVAGTRV-UHFFFAOYSA-N 361.858 2.127 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 31712142 HFKGCAJNZMMITP-UWVGGRQHSA-N 353.362 2.235 0 40 FEAB Cc1ccc(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1 36831554 RWJBKDZPDLHHOA-UHFFFAOYSA-N 351.450 2.116 0 40 FEAB CC(C)[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1 1328717 IBGQXYDUANQBRJ-LJQANCHMSA-N 374.437 2.039 0 40 FEAB CC(C)Cn1c(SCC(=O)NCC(F)(F)F)nc2ncccc2c1=O 32893421 ZVRQMYLFNRKICS-UHFFFAOYSA-N 374.388 2.218 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1 6680379 FGQKPPXTYJVUGL-UHFFFAOYSA-N 368.436 2.339 0 40 FEAB C[C@@H](OC(=O)Cc1noc2ccccc12)C(=O)Nc1sccc1C(N)=O 22019944 DLRGTPNMSQAYRD-SECBINFHSA-N 373.390 2.101 0 40 FEAB COc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 22924152 DICJOVKCNPMORX-INIZCTEOSA-N 372.469 2.445 0 40 FEAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102592112 QJQAVIAFPDSGTC-UJWMZTGESA-N 350.418 2.377 0 40 FEAB COC(=O)c1sccc1NC(=O)CCc1c(C)nc2ncnn2c1C 105039114 UDYXCSRDYMPCOB-UHFFFAOYSA-N 359.411 2.161 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccccn3)CC2)c1C 23718744 MHFHDRXHPPBTBD-HNNXBMFYSA-N 370.453 2.207 0 40 FEAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC1 3100316 XITPOWMVYJXOEV-UHFFFAOYSA-N 356.426 2.473 0 40 FEAB Cc1cc(C(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)[nH]n1 112678501 ZIECJPALRUYOPN-GFCCVEGCSA-N 372.454 2.349 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC2C[C@H]3CC1C[C@H](C2)C3 102771958 VSJRQGRBYWYPCC-JUVOFCAFSA-N 362.495 2.392 0 40 FEAB CCN1C(=O)C(=NNc2ccccc2Br)C(=O)N(CC)C1=O 103462162 RBBBRRDECONHRD-UHFFFAOYSA-N 367.203 2.048 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCN[C@H](C(=O)NC1CC1)c1ccccc1 58226056 GUIAIJLIHHZEKM-FQEVSTJZSA-N 369.440 2.094 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)C[C@](C)(O)C(F)(F)F)cn2)n1 58210052 JJTLVBXWRRAKBF-HNNXBMFYSA-N 356.348 2.204 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCc2ccc(F)cc21 58496904 CSKOOUXHYIHENL-UHFFFAOYSA-N 351.355 2.284 0 40 FEAB O=C(Nc1cccc(CNS(=O)(=O)N2CCCCC2)c1)C1CCC1 28329251 DKWDPPFYPUEUHQ-UHFFFAOYSA-N 351.472 2.246 0 40 FEAB O=c1c2ccccc2nnn1CSc1nncn1CCc1cccs1 11105488 QODJAFZACZVKJD-UHFFFAOYSA-N 370.463 2.437 0 40 FEAB CC(=O)Nc1cc(C)c(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c(C)c1 45744581 OMDTUBFPKLXQQB-HNNXBMFYSA-N 366.483 2.451 0 40 FEAB CCCOc1cc(S(=O)(=O)N[C@H](CC)CO)ccc1Br 11566178 FNRAXSQGVGSTEG-SNVBAGLBSA-N 366.277 2.287 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)N1CCc2sccc2C1)C(F)(F)F 48332128 XDAHQSNUBMPVBH-AWEZNQCLSA-N 359.373 2.207 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1SC 12997106 UPIXFQSAGUNEKD-UHFFFAOYSA-N 364.492 2.388 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCc1ccccc1)C2=O 13061859 GBYCIIGTLBMCSR-YWZLYKJASA-N 357.454 2.236 0 40 FEAB COc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 409000635 FCSJFKGOZCJNRA-NSHDSACASA-N 371.821 2.056 0 40 FEAB CCn1c(SCC(=O)OC(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 5083409 MEVDQBQPYOYKFK-UHFFFAOYSA-N 371.484 2.137 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6113112 NYNYPQDBBIMVPB-UHFFFAOYSA-N 362.495 2.209 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nnn[nH]2)c(OC)c1 4599305 MDVHMQWDAMJIEK-HNNXBMFYSA-N 371.372 2.321 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 5938626 YIENQXCEIBAMLG-LLVKDONJSA-N 358.423 2.416 0 40 FEAB COc1ccc(-c2cc3ncn(CCS(C)(=O)=O)c(=O)c3s2)cc1 71875177 BWEPZGORFYGCDW-UHFFFAOYSA-N 364.448 2.178 0 40 FEAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NC(=O)NC2CCCC2)c1 7983348 ZQBZZILBPPDEHP-UHFFFAOYSA-N 362.426 2.384 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2ccsc2)n1 8000446 GJRBDKKGDUZMEI-NSHDSACASA-N 368.422 2.166 0 40 FEAB CCN(CC)[C@@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 72304977 JYSRBIVQRLSWPA-LSDHHAIUSA-N 353.457 2.428 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 97379337 ZCKMLYZKZOHKLX-IDTSFGKNSA-N 372.437 2.045 0 40 FEAB COC(=O)CCCN1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 75105390 AAYSGKALZLNWRT-UHFFFAOYSA-N 367.877 2.239 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccsc2)n1 32776544 LQZFSYUWEFENJQ-MRVPVSSYSA-N 353.425 2.263 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1cccc(Br)c1 409381981 JLJKMQJHDLTDLE-YXMPFFBPSA-N 352.184 2.432 0 40 FEAB Cc1cccc(CN[C@@H]2CCOC[C@]23CC(C(=O)N2CCCCC2)=NO3)c1 306142669 XFWFXUMUMGJSBN-TZIWHRDSSA-N 371.481 2.401 0 40 FEAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1 73743374 YEAKSKBYLNJLRT-UHFFFAOYSA-N 357.385 2.219 0 40 FEAB Cn1ccnc1C(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355221 LPJYVWFLZDIRFN-KRWDZBQOSA-N 367.497 2.374 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)c1cc(-c2ccco2)on1 70930409 VDZQQOIFSOTFBA-UHFFFAOYSA-N 353.382 2.371 0 40 FEAB COc1ccccc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946211 XULLPWHTJTUXST-HNNXBMFYSA-N 366.414 2.453 0 40 FEAB COc1cc([C@@H]2OC(c3ccncc3)=NN2C(C)=O)cc(OC)c1OC 41097626 OMGHVUBIQUKBJG-SFHVURJKSA-N 357.366 2.347 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225636303 WYXDCMMDBTZZEQ-INIZCTEOSA-N 371.393 2.060 0 40 FEAB Cc1cccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4cnn(C)c4)C3)C2)c1 96100645 CNISFFCDPXAEIM-NQIIRXRSSA-N 370.497 2.448 0 40 FEAB COc1ccc([C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C(=O)O)cc1Cl 579478230 SPEZMSDZTVIXPP-GFCCVEGCSA-N 366.805 2.251 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2C 96199841 BVNJCJNSCHUKGS-KRWDZBQOSA-N 357.458 2.005 0 40 FEAB COC1(c2nc(-c3ccccn3)no2)CCN(Cc2ncccn2)CC1 583615848 DBSSFHNWTIYIAP-UHFFFAOYSA-N 352.398 2.059 0 40 FEAB C[C@H]1CN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)CC[S@](=O)C1 581057702 LQJLIUGZVJGYOD-VDBVYFBLSA-N 361.471 2.229 0 40 FEAB Cn1cccc1C(=O)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 96183581 TZESFVKLWBSLEO-DLBZAZTESA-N 357.429 2.280 0 40 FEAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccccc1F)CC2 247891496 UBRDXTMGZWAWLR-AWEZNQCLSA-N 357.447 2.422 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@@H]2COCC1CC1 248029874 POWSQCVACBYUJJ-MRXNPFEDSA-N 351.468 2.201 0 40 FEAB O=S(=O)(NCc1cnc([C@H]2CCCCO2)nc1)c1ccc(F)cc1 257303128 SFXFSFOLSGOYRW-OAHLLOKOSA-N 351.403 2.336 0 40 FEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257211287 BYHJMMKXEKXXQF-AWEZNQCLSA-N 351.410 2.247 0 40 FEAB CN(CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257242665 IDOSPNAPOWODTH-GOSISDBHSA-N 353.470 2.084 0 40 FEAB CC(C)n1cc(S(=O)(=O)N(C)c2cccc(CCC(=O)O)c2)cn1 272954285 QMHNQIKUQPHBEL-UHFFFAOYSA-N 351.428 2.306 0 40 FEAB COc1ccc(C2(C(=O)N3CCC(c4nc(=N)n(C)[nH]4)CC3)CCC2)cc1 614296311 OZBHSSLJPQKYDY-UHFFFAOYSA-N 369.469 2.064 0 40 FEAB COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCN(C)C1=O)N1CCCC1 635114443 WCGHNBRFMUYDDS-MSOLQXFVSA-N 373.497 2.207 0 40 FEAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1CCCC1(F)F 672494593 DNQWIDCSYMZDLY-GFCCVEGCSA-N 357.748 2.242 0 40 FEAB COC(=O)c1ccc(NC(=O)NCCn2cnc3ccccc3c2=O)cc1 604418529 LDXYXALDZLPOBF-UHFFFAOYSA-N 366.377 2.005 0 40 FEAB COCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 585267248 NXFLQAMZTPCJIV-PMACEKPBSA-N 361.413 2.475 0 40 FEAB Cc1cnc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cn1 58182621 NRLNDJKDFWRJKR-JTQLQIEISA-N 356.209 2.262 0 40 FEAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc3ccccc23)C1 96103420 PETCEGYZBCJJMD-GFCCVEGCSA-N 350.440 2.185 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615155151 ICQZDMZGSVDMKU-LJQANCHMSA-N 358.369 2.375 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)c1C 12086746 HWDPBHLNZIBPKU-FQEVSTJZSA-N 368.437 2.009 0 40 FEAB Cc1nn(CC(=O)N(C)CCCc2ccco2)c(=O)c2cc3occc3n12 12115436 RGQIQYXBLJSXGY-UHFFFAOYSA-N 368.393 2.235 0 40 FEAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1F 12185256 BCJVGOLPNOJIEE-AWEZNQCLSA-N 354.385 2.068 0 40 FEAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)Cc3nonc3C)C2)on1 12251949 ALQDVWLQJSFOMW-NSHDSACASA-N 374.426 2.142 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2c(C)n[nH]c2C)c(C)c1 14185213 BNFVRGCAKVUFQD-UHFFFAOYSA-N 357.458 2.461 0 40 FEAB CC(C)OCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15913765 YCAJXUVLAOTNEJ-UHFFFAOYSA-N 354.472 2.016 0 40 FEAB CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@H](C)[C@H]2[C@H](O)CC(=O)[C@]12C 4900026 NVWSHXGIQXQTBM-RGIHMMJFSA-N 364.438 2.038 0 40 FEAB O=C1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2N1 5776210 TYKKBOCUDWMCAW-UHFFFAOYSA-N 363.373 2.048 0 40 FEAB COCCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3 6380225 YPRWBZPIJCEQSO-UHFFFAOYSA-N 368.480 2.248 0 40 FEAB Cc1cc(=O)n(CC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cn1 1888890424 GANMZHQQMGPRIJ-UHFFFAOYSA-N 365.437 2.108 0 40 FEAB Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCSCC3)C2)cc1 1888930506 NWOCDCNYMMWHJY-INIZCTEOSA-N 361.511 2.221 0 40 FEAB CC(C)N1CC[C@@H](N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)C1=O 1776009063 STDIVANJYGTLOD-CYBMUJFWSA-N 372.391 2.348 0 40 FEAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(N2C(=O)CCC2=O)C1 238819130 CEWIMANOEFRGRF-UHFFFAOYSA-N 364.401 2.239 0 40 FEAB Cc1csc(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)c1 1565555880 IGGUMLHHFZPYDZ-SOUVJXGZSA-N 364.467 2.230 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)OCO2 10326483 ZLPGTELXQCHLEA-CQSZACIVSA-N 354.406 2.169 0 40 FEAB O=C(CCCn1nc(-c2cccs2)ccc1=O)NCc1ccccn1 13698547 VLQAGPWCDFVQGE-UHFFFAOYSA-N 354.435 2.463 0 40 FEAB COc1ncccc1CNC(=O)c1ccc(CSc2ncn[nH]2)cc1 31321702 UUTGHERAEJEEFF-UHFFFAOYSA-N 355.423 2.431 0 40 FEAB O=C(CCNC(=O)c1ccco1)Nc1nc2cc3c(cc2s1)OCCO3 11751360 UUFNUMINCCXYTQ-UHFFFAOYSA-N 373.390 2.419 0 40 FEAB CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 8195372 HHGZSGDJXTZTAP-ZDUSSCGKSA-N 361.467 2.194 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3cccc(C(C)=O)c3)n2n1 71285830 CNIKUSZBXGZCPZ-UHFFFAOYSA-N 353.382 2.297 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 2636378 UIYFCFXGVIUSEF-OAHLLOKOSA-N 357.435 2.452 0 40 FEAB CC(C)N(C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)C(C)C 4984964 AZGSYUKKEVFNAV-KRWDZBQOSA-N 357.454 2.283 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 32904822 VZWZPKYZBDGDCC-CQSZACIVSA-N 354.472 2.062 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C 32901323 YQDQPUSIHTVFEN-STQMWFEESA-N 369.446 2.091 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102530453 OLEXVNQVJBYREK-UJWMZTGESA-N 350.418 2.295 0 40 FEAB COc1cccc2sc(N3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc12 9001899 AYOQXRVVBGWXDT-UHFFFAOYSA-N 371.466 2.309 0 40 FEAB O=C(O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 874550 IZEIESVXVPLADJ-UHFFFAOYSA-N 366.342 2.472 0 40 FEAB CNc1cc(CCNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2ccccn2)n1 100733213 YUMSSPGVUSOGGL-FZNQNYSPSA-N 369.469 2.444 0 40 FEAB O=C([C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1)N1CCOCC1 25006696 BDRQFVZZIJXDRE-CQSZACIVSA-N 366.421 2.451 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CS(C)(=O)=O)cc1 25181633 FAIPCVJENIMABE-UHFFFAOYSA-N 373.430 2.221 0 40 FEAB NC(=O)c1ccc(-n2nnnc2Oc2ccc(Br)cc2)cc1 1423177 JDCXULJBLPXLIT-UHFFFAOYSA-N 360.171 2.316 0 40 FEAB O=C1OCC[C@@H]1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 25390253 JPMFMELTFQRYHE-IBGZPJMESA-N 364.445 2.278 0 40 FEAB CC(=O)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 25499456 YMTGOLZWCUKEBR-UHFFFAOYSA-N 374.491 2.377 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 27981392 CRUHXWVCUDRTNP-UHFFFAOYSA-N 366.421 2.495 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 107207232 OIFFUTOSRJKOPM-OAGGEKHMSA-N 358.467 2.023 0 40 FEAB Cc1cc(C(=O)Nc2ccn(Cc3ccccn3)n2)c2c(C)nn(C)c2n1 58197841 QCVNCHPNSCGBDV-UHFFFAOYSA-N 361.409 2.477 0 40 FEAB CC(C)CCO[C@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O 58227421 VXYRPKXXECLVGA-CYBMUJFWSA-N 370.471 2.322 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCCO2 23296299 FVEAANDUCSETDK-UHFFFAOYSA-N 373.409 2.041 0 40 FEAB CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 12747053 BZTZBFHSABBERS-UHFFFAOYSA-N 354.454 2.413 0 40 FEAB COc1ccc2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)c(C)nc2c1 8329093 BOMYWXDMTDYLMC-OAHLLOKOSA-N 358.394 2.004 0 40 FEAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 12891832 GIQOPEJMEHUOOK-HNNXBMFYSA-N 351.406 2.340 0 40 FEAB CC(C)(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 38408253 OTOVBAKWINTXKA-UHFFFAOYSA-N 367.298 2.383 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)[C@@H]1C 13112701 GICAROFGRONRGO-NKSTXHLWSA-N 357.454 2.395 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 13865748 ZIEPMBCHPZPOPX-UHFFFAOYSA-N 350.378 2.453 0 40 FEAB Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3F)CC2)s1 14226231 OLBPNUFVIYTSAF-UHFFFAOYSA-N 366.487 2.422 0 40 FEAB CNc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 5406969 JYFJPYKUPNIZKQ-GFCCVEGCSA-N 356.378 2.319 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCN(c2nccs2)CC1 14350766 HNFBYDKMVZUOPK-CQSZACIVSA-N 368.462 2.307 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 5517309 YALUXVOINAAHNJ-AWEZNQCLSA-N 369.343 2.192 0 40 FEAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1 23977101 SSZPJUVGKFGYNV-OAHLLOKOSA-N 352.481 2.100 0 40 FEAB O=C1CN(C(=O)CCC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2N1 67504389 SBJMWMUFJWCYJX-NVXWUHKLSA-N 363.417 2.424 0 40 FEAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7242402 QDJGKUVECFAEJC-LBPRGKRZSA-N 359.451 2.262 0 40 FEAB CC(C)c1ccc(CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 16397110 MXMMYWJEFYOECR-KRWDZBQOSA-N 364.511 2.078 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3csnn3)cc2)C1 9250844 LGQFSJSGFNFDQY-LLVKDONJSA-N 366.468 2.211 0 40 FEAB CCOc1cc2ccccc2cc1C(=O)OCc1nc(N)nc(N(C)C)n1 9515513 RMVQLIXMVXVENA-UHFFFAOYSA-N 367.409 2.429 0 40 FEAB Cc1ccc(N2C(=O)[C@@](NC(=O)C3CC3)(C(F)(F)F)N=C2O)cc1C 9576056 FIXGYMSMAUSFHC-HNNXBMFYSA-N 355.316 2.349 0 40 FEAB O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCOCC1 9690768 KTPSLCNULZIYFF-UHFFFAOYSA-N 370.427 2.160 0 40 FEAB CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)nn(C)c1C 89942265 NZRCNRYTYIVYHX-NSHDSACASA-N 359.492 2.168 0 40 FEAB COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 89914337 AUJCVDUQZUCPBR-IBGZPJMESA-N 371.368 2.240 0 40 FEAB CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 548263801 ZZAXBLFFVCPKOH-IRXDYDNUSA-N 363.435 2.246 0 40 FEAB Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c1NC(=O)C2(C)C 71196010 DUGMPKVIWCITPM-VXGBXAGGSA-N 352.456 2.023 0 40 FEAB Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3csnc3C)CC2)c1 182272032 QYPSQCZUBQCRHA-UHFFFAOYSA-N 373.478 2.432 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1 1566480125 DAVKBGISDLVAQF-MRXNPFEDSA-N 354.410 2.365 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 45903723 YMNVEIHMDGDBQF-CQSZACIVSA-N 354.406 2.373 0 40 FEAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1cccc(F)c1 49546926 CJBORQPITKECHO-UHFFFAOYSA-N 374.412 2.460 0 40 FEAB CC(C)CCn1ccc2cc(NC(=O)CCc3n[nH]c(=O)[nH]c3=O)ccc21 95475126 NMVFPOFRPOZORU-UHFFFAOYSA-N 369.425 2.030 0 40 FEAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccco2)C3)n1 96110466 DLWRAAMDQWGPNR-APWZRJJASA-N 357.410 2.007 0 40 FEAB O=C(CCN1CCN(c2ccccc2Cl)C(=O)C1)Nc1cccnc1 91518800 XSSRPDBQWBSMGS-UHFFFAOYSA-N 358.829 2.412 0 40 FEAB CN(C)CC(=O)N1CCC2(CC1)CN(C[C@H]1CCCO1)c1ccccc12 96241338 XBRAZMMOUZTKMO-QGZVFWFLSA-N 357.498 2.107 0 40 FEAB O=C(N1CCCC1)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 96217958 JOONZTNHKKFLJJ-CQSZACIVSA-N 354.414 2.204 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247828069 KFULNSRDGCGXPY-CQSZACIVSA-N 358.467 2.386 0 40 FEAB Cc1ccc(OCC(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)cc1 248019330 LVGLOGIMDUGYRW-IBGZPJMESA-N 355.438 2.408 0 40 FEAB CN(C(=O)c1ccc(Cc2cccc(F)c2)nc1)[C@@H]1CCS(=O)(=O)C1 257235072 GWHRBBJLENGKAZ-QGZVFWFLSA-N 362.426 2.071 0 40 FEAB C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccccc1 608546912 QXFLLXVOFOZMIM-MEDUHNTESA-N 355.369 2.083 0 40 FEAB C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 679424159 BDXPHAXMYYYESV-OIISXLGYSA-N 368.499 2.029 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCc2c(C)n[nH]c2C)C1 585275544 GEAFDURQUWLQPV-FQEVSTJZSA-N 357.454 2.310 0 40 FEAB CC(C)c1cc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)ncn1 599512483 JBQMGRLRRVXJNK-UHFFFAOYSA-N 365.481 2.311 0 40 FEAB Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000182 CAHRTQIKFHUOCT-ROUUACIJSA-N 353.422 2.279 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146233 YKHQXHVNESJNKA-ZVZYQTTQSA-N 369.465 2.333 0 40 FEAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc2c(c1)OCO2 12276140 BAQQXIVJPKNASM-HNNXBMFYSA-N 365.389 2.334 0 40 FEAB CCN(CC)C(=O)CN1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 12365538 YTRPHSGSKXZODP-UHFFFAOYSA-N 373.497 2.131 0 40 FEAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714965 FWSPZOUSFYAREK-FZMZJTMJSA-N 362.879 2.036 0 40 FEAB Cn1c(CCCNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(N)ccc21 13734986 IUPUYLQMBLHLCI-SFHVURJKSA-N 366.421 2.044 0 40 FEAB CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19085818 KAUFTRKWDYKJFI-NRFANRHFSA-N 367.449 2.030 0 40 FEAB O=C(Cc1ccccc1F)NCCn1nc([C@H]2CCNC2)c2cccnc21 19348209 YYQASLYWZAVFIO-HNNXBMFYSA-N 367.428 2.006 0 40 FEAB Cc1noc(C)c1CCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 19580855 PMXPJFMDFQRDEU-TWOQFEAHSA-N 367.405 2.037 0 40 FEAB CN(C(=O)c1ccno1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586638 ILGSZKIACYYMJP-UHFFFAOYSA-N 355.394 2.250 0 40 FEAB CN(CCc1ccccn1)CC(=O)Nc1ccc(N2CCOCC2)cc1 9157721 CAPRRGZBCLWUSO-UHFFFAOYSA-N 354.454 2.031 0 40 FEAB O=c1cc(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)cc(O)c12 14807611 UQUHXFINOFUDCC-UHFFFAOYSA-N 350.304 2.053 0 40 FEAB endogenous,in-man Cn1c(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cccc1=O 1614928388 DXERGGQGQFVTQP-IBGZPJMESA-N 371.462 2.106 0 40 FEAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 4694304 CTWTVHMQDVBVGF-NFFDBFGFSA-N 353.296 2.165 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1c(O)ccc2c(C)cc(=O)oc12 40268033 VXYSJIOZWBTJAV-UHFFFAOYSA-N 350.352 2.213 0 40 FEAB C[C@H]1CCCCN1C(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 1331896 GCARXHKXSCECOY-NEPJUHHUSA-N 360.483 2.379 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)cc2C)cc1 32778549 DKJSQZKMGBAYQY-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 2655887 SBCCHSDTXZLVBV-CQSZACIVSA-N 371.393 2.080 0 40 FEAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1 4862018 QKUVIOKDSIQOGR-QGZVFWFLSA-N 370.501 2.413 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085619 NJSSMZVQWVNTKC-UFFSCHNFSA-N 366.417 2.075 0 40 FEAB COc1cccc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)n1 108525600 WLIHOJRFWDPZSC-UHFFFAOYSA-N 352.438 2.270 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccccc1F 12375340 YFWIHSMLTGVVSF-OAHLLOKOSA-N 373.306 2.309 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC)cc3OC)C2=O)cc1 101275978 JOWQZJUAMCLQKN-MRXNPFEDSA-N 356.378 2.456 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CSC1CCCC1 22934339 SMCMCFFDRHOLJY-UHFFFAOYSA-N 356.513 2.229 0 40 FEAB CC(C)c1cccc(N2C[C@@H](C(=O)NCCCN3CCCC3=O)CC2=O)c1 23187064 SBVRURMJYTXOJL-KRWDZBQOSA-N 371.481 2.292 0 40 FEAB O=C(NCCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1 24013457 LQPDAIOKQRICHM-UHFFFAOYSA-N 365.477 2.193 0 40 FEAB CN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(C(C)(C)C)cc1 24820180 LGCFKBRJVGIIKL-KRWDZBQOSA-N 366.527 2.061 0 40 FEAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 55348005 SMIZXETZQOFUOY-AWEZNQCLSA-N 354.406 2.169 0 40 FEAB CCCn1c2ccccc2c2nnc(SCC(=O)N3CCNC3=O)nc21 12538931 XYZAFSXDAZFVPB-UHFFFAOYSA-N 370.438 2.033 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CCn3c(=O)oc4ccccc43)C2=O)cc1 26006621 YOSRHBLENUVBPF-FQEVSTJZSA-N 365.389 2.370 0 40 FEAB Cc1sc2ncnc(N3CCC(C(=O)Nc4nc[nH]n4)CC3)c2c1C 26261523 XQUKFGPFILEYHE-UHFFFAOYSA-N 357.443 2.281 0 40 FEAB O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1ccccc1 102621519 MCCSBSQWRYAFRE-UHFFFAOYSA-N 361.361 2.249 0 40 FEAB COc1ccc(CCN2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)cc1 58179904 HGCAQPMIKLCHLE-INIZCTEOSA-N 372.469 2.179 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c1 58223325 HHZHYHGHGFLFLZ-UHFFFAOYSA-N 353.422 2.135 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCO3)s1 12605669 SNZSGBKZALYLEC-UHFFFAOYSA-N 355.393 2.327 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)ccc1OC 22516534 ASDLDEFKRRPJRO-QGZVFWFLSA-N 374.462 2.411 0 40 FEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2c2ccccc2)c2ccccc21 36359878 GSSGZERUUPSRKW-JOCHJYFZSA-N 355.397 2.280 0 40 FEAB CC(=O)N[C@@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 11188268 VZZQRFVLWRXPGQ-ZDUSSCGKSA-N 364.496 2.121 0 40 FEAB Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 48302393 ZEZVZBACYWXKNV-GOSISDBHSA-N 361.449 2.486 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1 9809474 DBHBEMVFMKKQRF-UHFFFAOYSA-N 358.417 2.399 0 40 FEAB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 8750371 HZBRSFWPBTVYGI-UHFFFAOYSA-N 356.378 2.225 0 40 FEAB CN(C)CCCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 8718917 PAMVUEMPMXGBHH-OAHLLOKOSA-N 373.906 2.313 0 40 FEAB CC[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1ccc(OC)cc1 70756390 BUOLJMXSQCDBOW-INIZCTEOSA-N 356.426 2.362 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(N2CCCC2=O)c1 13259956 XLBWRJJWONNZGK-KRWDZBQOSA-N 352.390 2.239 0 40 FEAB COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 14229490 GHZQRWFVFOFNHE-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB CCOC(=O)Nc1ccc2c(CSc3n[nH]c(N)n3)cc(=O)oc2c1 5928144 BXIKSJHJBYQVHM-UHFFFAOYSA-N 361.383 2.354 0 40 FEAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(O)cc3)CC2)c(F)c1 15496783 NUZKLEAPYZRJQL-UHFFFAOYSA-N 371.412 2.495 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N[C@@H]1CCCc2ccccc21 7954525 FDBAKJVTMFKKLU-GOSISDBHSA-N 363.421 2.446 0 40 FEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1 16640475 DBCCORLYBQETPN-KRWDZBQOSA-N 364.442 2.445 0 40 FEAB O=C(CCC(=O)N1CCOCC1)NCCc1ccc(Cl)cc1Cl 8116191 XJXFUAHAYGWPST-UHFFFAOYSA-N 359.253 2.291 0 40 FEAB NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 8131108 INOQORXATWSDBJ-CYBMUJFWSA-N 357.435 2.338 0 40 FEAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OC)nc2)C(C)C)cc1 17440356 MCSVMXTZUZASOZ-KRWDZBQOSA-N 357.410 2.492 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1C 9721203 BWDJNJFXNGVPHC-UHFFFAOYSA-N 369.377 2.091 0 40 FEAB CCCS(=O)(=O)c1ccccc1C(=O)NC[C@@](C)(O)c1ccco1 72306638 MTSUNOVKRZVKKH-QGZVFWFLSA-N 351.424 2.101 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 95426538 GLXSFGTXXUVDIC-SFTDATJTSA-N 372.509 2.438 0 40 FEAB Cc1cnccc1NC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 95981967 YGTWOGTUMIDNLH-NSHDSACASA-N 356.390 2.467 0 40 FEAB COC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(N)=O 89376005 KOMXTVDASXZTOC-AWEZNQCLSA-N 358.463 2.479 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 408709922 ZLSDYEPQNVXOAI-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1 408561166 RBHJEMKZPYEPNA-CQSZACIVSA-N 369.446 2.218 0 40 FEAB O=C(Nc1nncs1)c1cn(-c2ccccc2Br)nn1 32816417 SNFUFMUZIUNHOT-UHFFFAOYSA-N 351.189 2.134 0 40 FEAB C[C@@H]1Oc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2NC1=O 71538897 OQYQVSHSVOSZCT-QMMMGPOBSA-N 354.334 2.485 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218577881 MXIPGHGGBRUCGT-ZACQAIPSSA-N 350.871 2.244 0 40 FEAB CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 40146489 ASIRHTYKDJWZCP-GFCCVEGCSA-N 350.415 2.300 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(CCOCCC(C)C)CC2)cc1 40157193 RYKYYSSLHFGGJB-UHFFFAOYSA-N 370.515 2.064 0 40 FEAB O=C(CSc1nccnc1N1CCSCC1)NCc1ccccc1 48987264 NQLKFYUSBHNMSK-UHFFFAOYSA-N 360.508 2.438 0 40 FEAB NC1(CNC(=O)c2ccc(C(=O)O)cc2)CCN(Cc2ccccc2)CC1 568653634 GLGAEPGNWWBBKY-UHFFFAOYSA-N 367.449 2.108 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCc3ccc(O)cc3)cc2)o1 44918519 NPOYUIFXOJTZLM-UHFFFAOYSA-N 366.377 2.048 0 40 FEAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc(F)cc1 224343145 FGXIHFCKDKPYTR-UHFFFAOYSA-N 365.434 2.083 0 40 FEAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(=O)[nH]c1 225757971 FSAWFEPLZSOTEA-UHFFFAOYSA-N 369.450 2.225 0 40 FEAB CCc1cc(N2C[C@@H](C(N)=O)CC2=O)cc(C)c1I 45889752 KAOFPQUOUYKSRZ-JTQLQIEISA-N 372.206 2.000 0 40 FEAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cn1 47529583 BAMJZHWWUJJTDE-JTQLQIEISA-N 363.215 2.174 0 40 FEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 46830850 QYNWHWNZZMOTSU-HOTGVXAUSA-N 363.458 2.342 0 40 FEAB COc1ccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222450171 NREULIJBANYRBQ-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB COc1cncc(O[C@@H]2CCN(C(=O)c3cc(Cl)ccc3OC)C2)n1 225392747 HPUPFEJEUFXJOD-GFCCVEGCSA-N 363.801 2.441 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2)COC1 96112750 PCNBCXUZSGUXLV-HNNXBMFYSA-N 352.394 2.079 0 40 FEAB biogenic,in-vitro O=C(NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2)c1ccno1 247516658 VXOQRBRKHKBBIY-OAHLLOKOSA-N 359.401 2.225 0 40 FEAB CN1C[C@@H](COCC2CC2)C2(CCN(c3cc(N(C)C)ncn3)CC2)C1 248084100 DCPPSZOKGHTUPJ-KRWDZBQOSA-N 359.518 2.117 0 40 FEAB Cc1ccnc(OC[C@H]2CN(C(=O)c3occc3C)Cc3cncn32)n1 253480960 ZYUGKOZMSCIPMQ-OAHLLOKOSA-N 353.382 2.159 0 40 FEAB O=C(/C=C/c1ccccc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257205738 BAKDCVDLPVKGEX-IPLHWJFFSA-N 350.409 2.394 0 40 FEAB Cc1noc([C@@H]2CN(Cc3cccc4c3OC(F)(F)O4)CCN2C)n1 580880368 UHOVUFXEBXZEOM-LBPRGKRZSA-N 352.341 2.188 0 40 FEAB CCn1cc(N(CC(C)C)S(=O)(=O)c2cc(C)cc(C(N)=O)c2)cn1 585123406 LTJDCRAJAKMLQY-UHFFFAOYSA-N 364.471 2.162 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N2CCCN=C2c2ccccc21 12142797 ZBHZAILHJAOYEM-UHFFFAOYSA-N 366.425 2.068 0 40 FEAB COc1c(C)cccc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 19235995 NLKDCVATZURXCC-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1cccc2ncccc12 19402960 RAFZWRISNATRBL-UHFFFAOYSA-N 357.373 2.310 0 40 FEAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)[C@H]2C1 19446598 RAOAOUNCJMNLGA-PBHICJAKSA-N 368.474 2.483 0 40 FEAB COCCN1Cc2cccc(C(=O)N[C@@H](C)Cc3ccccn3)c2C1=O 19457090 YGKDCWGMRPBNSF-AWEZNQCLSA-N 353.422 2.045 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 19716997 XBFQRJLMBSXCDN-SFHVURJKSA-N 368.416 2.143 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 3008214 KQRJFUDEFPDJHS-CQSZACIVSA-N 358.891 2.408 0 40 FEAB CCc1cc(N2CCN(c3nccn4nc(C)cc34)CC2)nc(SC)n1 1888897427 ZZZWUDQJHJXLKN-UHFFFAOYSA-N 369.498 2.439 0 40 FEAB FC(F)c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C2CC2)n1 1888901060 SGWDUROOBOHEDY-UHFFFAOYSA-N 372.383 2.056 0 40 FEAB CCc1ncnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)c1F 2086983292 VYYNDCJYBPTZIK-UHFFFAOYSA-N 365.416 2.357 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3n2)cc1 4248493 YOKNHVYTEBJGCC-UHFFFAOYSA-N 357.435 2.366 0 40 FEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(C(C)C)n1 12444263 RHZZJXQCVCCFPD-UHFFFAOYSA-N 350.444 2.275 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 13699713 TZBYNTCLQVGYRN-UHFFFAOYSA-N 355.354 2.285 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@H](NCc1ccccn1)CC2 2055738998 GIOKADMOVZWPTK-CYBMUJFWSA-N 352.394 2.240 0 40 FEAB O=C([C@@H]1CN(c2ncnc3ccsc23)CCO1)N1CCC(F)(F)CC1 2086884409 OAADXDFQJFNDHR-LBPRGKRZSA-N 368.409 2.154 0 40 FEAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 63389701 BDCXZQFNWNLUNY-MSOLQXFVSA-N 362.495 2.224 0 40 FEAB CCCc1noc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)n1 40106348 GQEPPVBFPLXKPI-UHFFFAOYSA-N 357.819 2.229 0 40 FEAB CCOC(=O)CN(CC(=O)Nc1cc(C)c(C(=O)OCC)s1)C(C)C 40158279 CKXWVYKAMJMLFD-UHFFFAOYSA-N 370.471 2.445 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2cccs2)no1 30707198 FUAMTGTUDKMULW-CQSZACIVSA-N 354.435 2.471 0 40 FEAB COc1cccc([C@H]2NC(=O)N3[C@@H](c4cccc(OC)c4)NC(=O)N23)c1 1716080 DPDPGHYGYVIKDZ-HOTGVXAUSA-N 354.366 2.367 0 40 FEAB C[C@H](C(=O)OCCOc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 7806773 ZAECEMOIJGYLPY-GFCCVEGCSA-N 357.337 2.432 0 40 FEAB C[C@H]1CN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C[C@H](C)O1 32777958 NNBHNFSDWMEONA-RYUDHWBXSA-N 364.446 2.216 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21 7360913 OURMVMLSSGJSKW-UHFFFAOYSA-N 360.391 2.095 0 40 FEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCc2ccccn2)CC1=O 21773508 KZHRQMVLVLDZTJ-CYBMUJFWSA-N 373.840 2.455 0 40 FEAB Cc1cc(Br)oc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O 76042516 BTJNZHUELCXLGI-NXEZZACHSA-N 364.261 2.388 0 40 FEAB CSCC(=O)N1CCC[C@]2(CC1)CCN(CC1CCOCC1)C2=O 108529530 IXUVDKXZBHEMDT-SFHVURJKSA-N 354.516 2.007 0 40 FEAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 104272312 PBJPAKOPDJDHSZ-YRXWBPOGSA-N 373.412 2.263 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 103500015 UNLGANWCTMBFIE-OBJOEFQTSA-N 352.456 2.320 0 40 FEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H]1COc2ccccc2O1 23718881 FTXYKNRFNAVXSO-SJKOYZFVSA-N 370.430 2.446 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C)n2C)cc1 23953544 UVEXIOGGWQBMTM-UHFFFAOYSA-N 363.483 2.294 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(COC[C@@H]2CCCCO2)c1 56195157 XKVSGSZIYHOCAV-PBHICJAKSA-N 363.458 2.418 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 107333925 ZSMFCLGHMDFRHW-SLEUVZQESA-N 353.513 2.378 0 40 FEAB CCOC(=O)CCCNC(=O)COc1ncnc2sc3c(c12)CCC3 57548637 JAUDITUKJWMNHF-UHFFFAOYSA-N 363.439 2.018 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 58183512 AWYRZRXKMQFQGW-UHFFFAOYSA-N 362.430 2.003 0 40 FEAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(=O)(=O)CC)s1 27664397 VQYCBRYZEYGYRE-NSHDSACASA-N 373.431 2.267 0 40 FEAB C[C@@H](Sc1ncccn1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58251266 PGYMTYWQQLDGEO-CQSZACIVSA-N 370.478 2.378 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)C3CCC(C)CC3)cnc21 25629607 GOMOGPOZEJNQNQ-UHFFFAOYSA-N 358.442 2.146 0 40 FEAB O=C(CCc1ccccc1)N[C@H](C(=O)N1CCOCC1)c1ccccc1 36109765 REMQHIRHYWFRLI-FQEVSTJZSA-N 352.434 2.336 0 40 FEAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 58392488 ORHALQNEZPCFOR-CQSZACIVSA-N 359.209 2.112 0 40 FEAB CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3202913 ZJYNVIXATKQWMF-INIZCTEOSA-N 366.483 2.112 0 40 FEAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C)CC3)c2c1 36366912 KJPZFZAZILTJTI-QGZVFWFLSA-N 358.442 2.136 0 40 FEAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)O)cc1 12652885 WMMKYCRYHFISTQ-GHRIWEEISA-N 368.389 2.057 0 40 FEAB biogenic CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1C 3332819 QPNLRYZTQXNYBY-UHFFFAOYSA-N 358.350 2.358 0 40 FEAB CN(C)CCNC(=S)Nn1cnc2scc(-c3ccccc3)c2c1=O 3345840 XXUUFZYNODFBPM-UHFFFAOYSA-N 373.507 2.105 0 40 FEAB COc1cc(/C=C/C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc(OC)c1 62582620 COOYEJNNSYNSDY-NDDJGDGRSA-N 366.417 2.417 0 40 FEAB CNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3514087 SAKZREQVERPPCA-UHFFFAOYSA-N 353.334 2.107 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)c2ccccc2O1 12913192 PQPPOIFBDDNABE-RDTXWAMCSA-N 354.406 2.303 0 40 FEAB C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(S(C)(=O)=O)cc1 12988441 GDPXGNTYOLUNTM-YVEFUNNKSA-N 373.430 2.049 0 40 FEAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 13327851 AAZIEAIDPNXESF-OAHLLOKOSA-N 371.264 2.386 0 40 FEAB CSc1nnc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)s1 17112903 OXPJQXPSCHYLGN-UHFFFAOYSA-N 359.436 2.367 0 40 FEAB Cc1cc(C[S@](=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 64811489 ZMUIUMJFKSVECP-YDGUKXNOSA-N 350.396 2.030 0 40 FEAB CN(Cc1cccc(F)c1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8939902 HEUPUYXTNMDWLJ-UHFFFAOYSA-N 372.375 2.082 0 40 FEAB CC(C)[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC(N)=O 6549685 DPQPSUUVOONONH-ZDUSSCGKSA-N 359.455 2.456 0 40 FEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 7131603 LHSIZYMMNHZCMV-SFHVURJKSA-N 365.380 2.181 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 15565586 KDKLPAYOCCPRAJ-UHFFFAOYSA-N 354.362 2.405 0 40 FEAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408555926 BIDGICJWGPKFPA-AWEZNQCLSA-N 364.467 2.049 0 40 FEAB CCN(C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 15858527 OGCNADRAFWQRSV-UHFFFAOYSA-N 358.419 2.420 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O 7654348 ZBZQXZCTJTWWLX-UHFFFAOYSA-N 358.442 2.202 0 40 FEAB O=C(COc1ccc(Br)cc1)Nc1cccc(-n2cnnn2)c1 7646328 ISPSIHZSQSVQKU-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB O=C(C[C@H](CN1CCc2ccccc2C1)C(=O)O)Nc1cccc(O)c1 71282659 AUAHYZVWMZSTAF-MRXNPFEDSA-N 354.406 2.480 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(NC(C)=O)cc2)C1=O 9244520 WEBHHJTZEWCGSR-RVDMUPIBSA-N 358.398 2.209 0 40 FEAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(CCCC(C)C)C1=O 9359799 ZVAGPWZYFCPMEM-HXUWFJFHSA-N 357.454 2.488 0 40 FEAB biogenic Cc1cccc(Oc2ncccc2N2C[C@@H]3CS(=O)(=O)C[C@H]3C2=O)c1C 84219201 BQAWZUXEDFZUGO-HUUCEWRRSA-N 372.446 2.498 0 40 FEAB O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1 72330792 NWQYMXWVJPEMIS-UHFFFAOYSA-N 373.840 2.236 0 40 FEAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)c1C 84794476 QRUPTBGNZCXXSZ-UHFFFAOYSA-N 354.432 2.456 0 40 FEAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Br 170609899 KAGUJKLJYYBMKS-UTUOFQBUSA-N 374.242 2.367 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCN(c2nnc(C3CC3)s2)CC1 79109301 KAVOWFJWWQLGQA-UHFFFAOYSA-N 364.496 2.068 0 40 FEAB O=C(NC[C@H](CO)c1ccccc1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 88404756 UNKJKFGTAOBJOZ-ZWKOTPCHSA-N 373.497 2.243 0 40 FEAB O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccncc1 32501867 KBUXRAWIGOYHSU-UHFFFAOYSA-N 351.410 2.016 0 40 FEAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 36734842 LNYVAAFOQNEYKG-UHFFFAOYSA-N 364.409 2.397 0 40 FEAB CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 39985375 IFYVMQHHMPWIKW-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NC(C)C)c(=O)n23)c1 49410677 GEVBSHDUVQOTTA-UHFFFAOYSA-N 368.441 2.084 0 40 FEAB Cc1c(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)nnn1C 329945526 XGPHYALWINBQSI-HXUWFJFHSA-N 353.470 2.252 0 40 FEAB C[C@H]1CN(C(=O)c2cccnc2OCc2ccccc2F)CC(=O)N1C 570101924 DQCHAYNEUGUKCN-ZDUSSCGKSA-N 357.385 2.102 0 40 FEAB C[C@H]1CCCCN1c1ccc(NC(=S)NCCN2CCOCC2)cn1 223893409 ZUCNXVZVMKJPFU-HNNXBMFYSA-N 363.531 2.079 0 40 FEAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1csc(-c3ccccc3)n1)CC2 225787025 PPKRJCKIWPKDJP-AWEZNQCLSA-N 366.446 2.191 0 40 FEAB COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 223902616 SOXYMWIINVEJED-UHFFFAOYSA-N 374.462 2.425 0 40 FEAB COc1ccc(N2CCC[C@H](C(=O)NCCc3cccc(F)c3)C2)nn1 96231224 JFPNRIVEIMDUKH-HNNXBMFYSA-N 358.417 2.200 0 40 FEAB Cn1cnc(CNC(=O)N[C@H]2CCc3cc(Br)ccc32)n1 93544392 ZIEFVIWWNCIAAI-LBPRGKRZSA-N 350.220 2.064 0 40 FEAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NCc3ccco3)O[C@H]2C1 96043250 PRXMKOPNJLGWSQ-QGTPRVQTSA-N 359.426 2.180 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106762 CIQBDRUYBKXKCA-KRWDZBQOSA-N 353.422 2.457 0 40 FEAB O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 246927046 DJMVATGNNSLTJY-RTBURBONSA-N 353.470 2.181 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)n1 248088074 KUVCUKZXYWXIAD-KRWDZBQOSA-N 353.422 2.375 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 257295125 QXBKZWDFCHFSDX-HNNXBMFYSA-N 357.458 2.468 0 40 FEAB Cc1ccc2nc(C(=O)N3C[C@@H](O)[C@H](Oc4cccc(F)c4)C3)cn2c1 257234991 GVXGPFASRGNKRP-IAGOWNOFSA-N 355.369 2.046 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cccc(C)n1 257260721 LEAPKTSHSKOTOF-QGZVFWFLSA-N 353.426 2.102 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cnc4ncccn34)c2)C1 257218398 DCZTZJDXVVJPJJ-AWEZNQCLSA-N 371.466 2.005 0 40 FEAB Cc1noc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)n1 590671678 REMIRQBOYLHHFO-SKDRFNHKSA-N 358.427 2.229 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1c1cccc(F)c1 618776104 ZZGYLAFYJYJMIX-SFHVURJKSA-N 356.397 2.464 0 40 FEAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2ccc3nccn3c2)cn1 623083334 NPWLYQFOWMRBPD-PBHICJAKSA-N 353.382 2.390 0 40 FEAB Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)O)CC2)c(Br)c1 630221619 ADCMBCIAQNFIOD-LBPRGKRZSA-N 369.259 2.379 0 40 FEAB CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 1138084744 JDEPSBRETPGAEK-ZTQAJYAQSA-N 373.497 2.223 0 40 FEAB CN1CCN(Cc2cccc(NC(=O)c3c(C4CC4)cnn3C)c2)CC1 667138467 IVHLCSHSJUVSNY-UHFFFAOYSA-N 353.470 2.297 0 40 FEAB COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCN(C)C3=O)cc2)cc1 681221707 HADDHYZDRMDWBO-QGZVFWFLSA-N 367.405 2.364 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cc(OC)ccc1Cl)[C@H]2C 585097614 NQSPXEKPGFTDBH-JTQLQIEISA-N 350.806 2.304 0 40 FEAB COCCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 585102624 COGBQRQKTIDGGP-XLIONFOSSA-N 362.445 2.150 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2coc(C)n2)[C@H]1Cc1cccc(F)c1 585275901 GJAGSIOQDYQYNX-WMZOPIPTSA-N 359.401 2.474 0 40 FEAB COc1ccccc1C(=O)N1CCCN(c2ccc3nccnc3n2)CC1 58283867 UPJJTWLBCVATHD-UHFFFAOYSA-N 363.421 2.386 0 40 FEAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3C(=O)O)cc1 100780230 ORCNJKDZPXMATO-KRWDZBQOSA-N 364.361 2.380 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)c1 1254764926 JSCAQWFACWWSPK-UHFFFAOYSA-N 365.430 2.465 0 40 FEAB COc1cc(C=NNc2nnn[nH]2)cc(Br)c1OC(C)C 5644148 WRUXIASXHOHACY-UHFFFAOYSA-N 355.196 2.204 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCCC3)cc1 11986071 YVDXQJCXMQWQDN-UHFFFAOYSA-N 365.480 2.241 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 12365114 PFBBWXZJPARWSB-AWEZNQCLSA-N 353.401 2.451 0 40 FEAB CN1CCCc2cc(CCNC(=O)C(=O)NCc3ccccc3)ccc21 13006734 SNLBKHQELLEFCM-UHFFFAOYSA-N 351.450 2.044 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1nn(C)cc1Cl 13226885 XIPCTVCATSMTLU-MFKMUULPSA-N 356.817 2.327 0 40 FEAB Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)Nc1ccccc1 13671686 BQBJMORIZISMNB-UHFFFAOYSA-N 361.467 2.087 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 16777089 NKCXFWNJMDBMGY-UHFFFAOYSA-N 371.422 2.261 0 40 FEAB CCC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 19498969 FWRGKSCKUZFGIG-NRFANRHFSA-N 352.434 2.389 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4F)CC3)n2CC1 19708959 VPPSNZLSDXWIKT-UHFFFAOYSA-N 371.460 2.201 0 40 FEAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C(C)C)CC2 19711599 CKTAKXOBKJJVKU-MRXNPFEDSA-N 359.474 2.133 0 40 FEAB COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 205751544 VOVGSHFWQOKOSN-BJMVGYQFSA-N 372.196 2.364 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1469714 UKGURDZBIRZVFW-JYRVWZFOSA-N 351.380 2.303 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(=O)O)[C@@H]2C(C)C)cc1OC 551915966 NJKMCTCDQHAMFH-LRDDRELGSA-N 371.455 2.132 0 40 FEAB CN(CCO)S(=O)(=O)c1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657917910 MFXBWVQUCFFQQQ-RYRKJORJSA-N 366.527 2.214 0 40 FEAB CNc1nc([C@@H]2CCCCN2C(=O)C(C)C)nc2c1CN(C(C)=O)CC2 19711578 QCHYXMOLNJYTNK-INIZCTEOSA-N 359.474 2.133 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(C)C2CN(c3ccc(C)nn3)C2)c(C)c1 1888878941 HOAMHGFELBNGGH-UHFFFAOYSA-N 360.483 2.220 0 40 FEAB O=C1CO[C@@]2(CCCN(C[C@@H]3CCOC3)CC2)CN1c1ccc(F)cc1 2037988886 MOXCIHDVTHPWNM-OXJNMPFZSA-N 362.445 2.450 0 40 FEAB O=C1C[C@H]2[C@H](CCN2c2ncc3ccccc3n2)N1Cc1cncs1 1565541849 BJMZMZLIAXGYMA-HOTGVXAUSA-N 351.435 2.466 0 40 FEAB Cc1ccccc1OC[C@@H](O)CN(c1ccc(F)cc1)S(C)(=O)=O 16839752 MXJCVMJDNUIDGY-INIZCTEOSA-N 353.415 2.340 0 40 FEAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(F)cc2)CC1 2055746538 WTVSQHPLEKKVHT-UHFFFAOYSA-N 359.449 2.094 0 40 FEAB O=C(NCc1ccccc1CO)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 50001816 GAKODVRSMIEWHT-IBGZPJMESA-N 364.445 2.337 0 40 FEAB COc1cc2cc(CN(C[C@@H]3CCCO3)C(C)=O)c(=O)[nH]c2cc1OC 1377535 POCCNRWJJCXUHD-HNNXBMFYSA-N 360.410 2.073 0 40 FEAB CCOC(=O)[C@]1(Br)CC[C@@]1(Br)C(=O)OCC 1688322 XVDQRPZYIPSGDX-NXEZZACHSA-N 358.026 2.174 0 40 FEAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 2938216 OIZQEKYTMJEAQE-KRWDZBQOSA-N 364.442 2.242 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2nc(C)cs2)c1 21482258 KCFTYCJAFKBSNX-UHFFFAOYSA-N 367.496 2.412 0 40 FEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccc(Br)cc1 4299317 NVZDPPMWZPFZJB-QWRGUYRKSA-N 360.204 2.460 0 40 FEAB CCOC(=O)C(C)(CCC(C)(C(=O)OCC)C(=O)OCC)C(=O)OCC 4804215 WTRRWOFPHPEQHF-UHFFFAOYSA-N 374.430 2.032 0 40 FEAB Cc1nc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2n1C 4902741 SPSOODJAEXBMCJ-UHFFFAOYSA-N 352.394 2.073 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1c(F)cccc1F 69489163 IRSNEHJTLJLHHL-UHFFFAOYSA-N 360.316 2.215 0 40 FEAB O=CN1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1 12391913 ILIVUGQPBPLQAG-CQSZACIVSA-N 370.840 2.321 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccncc1 9322847 PHGJJPWHVOROAH-STQMWFEESA-N 359.451 2.283 0 40 FEAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 23197955 GROKAZVDWASSCW-HMMYKYKNSA-N 358.442 2.034 0 40 FEAB CC(C)[C@H](NC(=O)COC(=O)CN(C)c1ncccn1)c1cccs1 23199658 RRMNVFBBEFNWDA-INIZCTEOSA-N 362.455 2.031 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1CC(C)(C)CN1CCOCC1 100141111 NVFWKHDXSYVDRY-WMZOPIPTSA-N 369.513 2.458 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc12 24032762 VZNNEPBDTBAUQP-UHFFFAOYSA-N 363.377 2.182 0 40 FEAB C[C@H](C(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)nn1)n1cncn1 1403856 YDADETGESHJOQR-SECBINFHSA-N 352.276 2.201 0 40 FEAB Cc1ccccc1CN(C)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 34878575 RVRMYRBOMBGZJB-UHFFFAOYSA-N 365.477 2.411 0 40 FEAB Cc1ccc(C)n1-c1c(C(=O)NC[C@H]2COc3ccccc3O2)cnn1C 55977498 UKPIQKYDPVWSSE-HNNXBMFYSA-N 366.421 2.397 0 40 FEAB O=C(NCc1ccccn1)c1sccc1S(=O)(=O)N1CCCCC1 25595297 CAUYMIIKZUFRNP-UHFFFAOYSA-N 365.480 2.248 0 40 FEAB C[C@](O)(CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccco1 78376273 SDJBYLXUDYMGDJ-SFHVURJKSA-N 351.366 2.021 0 40 FEAB O=Cc1ccc(C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 26358689 VDUNKIGMXKDAMK-UHFFFAOYSA-N 366.417 2.000 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 26311286 NOUNRGOPBDXDHM-AWEZNQCLSA-N 353.488 2.169 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 57403161 KESXZXOMVMIQKG-OAHLLOKOSA-N 371.437 2.382 0 40 FEAB CC[C@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426627 NZJYETAWXMFSBR-LBPRGKRZSA-N 351.472 2.186 0 40 FEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 58184501 ILRRYPAOYDSAJE-GOSISDBHSA-N 355.419 2.104 0 40 FEAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 22412454 IHLMDJAOIIGXCM-AWEZNQCLSA-N 352.500 2.491 0 40 FEAB Cn1cc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c2ccccc21 58226640 MTHWKXWARAFDDE-UHFFFAOYSA-N 357.435 2.480 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 3314428 FAFCFDWMWRXWHD-OAQYLSRUSA-N 365.433 2.469 0 40 FEAB Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 58438257 KBMQBQFRVDTCJM-CYBMUJFWSA-N 371.466 2.163 0 40 FEAB C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccc(Cl)cn1 3425213 MVKYUSIYMCAKFM-SECBINFHSA-N 367.814 2.097 0 40 FEAB CCc1nc(C(=O)N[C@H]2CCCn3ncnc32)nn1-c1ccccc1Cl 79053606 ZRIFPZITPWCMPL-LBPRGKRZSA-N 371.832 2.340 0 40 FEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCC1 13002950 WJVFGMRGBVJOOB-MRXNPFEDSA-N 363.483 2.152 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnn(C)c2C)c1C 13297383 WGZAIUVJAOWDQM-LBPRGKRZSA-N 361.398 2.278 0 40 FEAB COc1ccc(O[C@H](C)C(=O)NCc2ccccc2OC)c(C(=O)O)c1 13316187 PVIWONBLMZTWEI-GFCCVEGCSA-N 359.378 2.486 0 40 FEAB COc1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1OC 13328173 QPOMEOHOVHDVES-UHFFFAOYSA-N 370.405 2.429 0 40 FEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)nc2)C1=O 69653199 FBXVZDKTMGQECA-GOSISDBHSA-N 372.812 2.323 0 40 FEAB C[C@H](NC(N)=O)C(=O)/N=c1/sccn1Cc1cccc2ccccc12 63709054 QQDCLQMXFNCSBW-OHUJUZSNSA-N 354.435 2.235 0 40 FEAB CCCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4044208 NNSUYFGETQNLKR-FQEVSTJZSA-N 355.438 2.419 0 40 FEAB biogenic C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)N1CCc2ccccc21 5278759 BMAXRWZJJSOIRN-CQSZACIVSA-N 354.406 2.225 0 40 FEAB CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 65505145 VGKKELZSWMMUAW-KBPBESRZSA-N 352.429 2.185 0 40 FEAB O=C(CN1CCC[C@H]1Cc1ccccc1Cl)N[C@@H]1CCCCNC1=O 65516433 YUUAPWJPGKXISM-DOTOQJQBSA-N 363.889 2.132 0 40 FEAB CC(C)[C@H](C)NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2 14198999 KCSCOJSYQVBDOK-ZDUSSCGKSA-N 363.410 2.125 0 40 FEAB NC(=O)c1ccc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 8775025 QLXJRZGTFAOVTD-NRFANRHFSA-N 363.417 2.459 0 40 FEAB CC[C@@](C)(NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCCC1 4571352 ANMOJBXCHAQOOD-HXUWFJFHSA-N 359.470 2.150 0 40 FEAB COc1cccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 4682047 UXHYCLCLLNEABS-UHFFFAOYSA-N 362.451 2.138 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccc1 4691389 WUMKHPMNYBDSCA-OAHLLOKOSA-N 370.380 2.038 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)nc2n1 6648613 LRACZTXACOSOLJ-UHFFFAOYSA-N 368.788 2.228 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 5797811 YUMNKJKWTUZHBX-FQEVSTJZSA-N 373.453 2.111 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC2(CC1)OCCO2 67645351 YHHIORNIQDTBQK-UHFFFAOYSA-N 360.389 2.060 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(O)c2ccccc2n1 19147919 MPEYPLVSSGDDQX-GFCCVEGCSA-N 351.362 2.247 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 15906270 SCRCGIHQSKHGKJ-XJKCOSOUSA-N 365.311 2.186 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 29738459 QESGRESVCBLZRD-OKILXGFUSA-N 350.484 2.493 0 40 FEAB O=C(C[C@@H](CN1CCOCC1)C(=O)O)Nc1cccc(C(F)(F)F)c1 71282807 VFUAKIMJRXJOFC-NSHDSACASA-N 360.332 2.067 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 16302257 DGCRTIFXRGYMPU-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NCC(F)(F)F)c(=O)c23)C1 8241821 JBUWLAHMDCSFII-MRVPVSSYSA-N 359.373 2.261 0 40 FEAB CCc1nsc(N2CCN(C(=O)c3ncccc3OC(C)C)CC2)n1 79534278 PDOHQXYORGXKOH-UHFFFAOYSA-N 361.471 2.245 0 40 FEAB CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@@H]1c1noc(C)n1 96000915 YQVJVOFICJXHHK-CYBMUJFWSA-N 367.352 2.469 0 40 FEAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(C(F)(F)F)cc1 9366684 RJVZLIOHHFLZJN-LURJTMIESA-N 358.349 2.174 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 9389915 YCURLAJFUDULCB-UHFFFAOYSA-N 351.399 2.380 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408586591 AQCHMKWSCRYCGY-AWEZNQCLSA-N 369.487 2.408 0 40 FEAB O=C(Cc1c(F)cccc1F)NS(=O)(=O)N1CCCc2ccccc21 84581971 ORHOAPDQQUZRES-UHFFFAOYSA-N 366.389 2.321 0 40 FEAB C[C@H](CN(C)c1ccccc1)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 84638238 DEZXSKQTVVXWLS-CYBMUJFWSA-N 353.422 2.149 0 40 FEAB COc1ccccc1-c1noc(-c2cc(S(N)(=O)=O)ccc2OC)n1 95469313 VAZVNJWMQTUMTD-UHFFFAOYSA-N 361.379 2.068 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1ccc(C)c(Cl)c1 95942228 FOMITJYYKJIAPL-AWEZNQCLSA-N 369.849 2.474 0 40 FEAB O=C1Nc2ccccc2S(=O)(=O)N1Cc1cnn(-c2ccccc2)n1 95964037 YTTFIIHXAHCGJP-UHFFFAOYSA-N 355.379 2.004 0 40 FEAB Cc1ccccc1N(CCCC(=O)NCc1cccnc1)S(C)(=O)=O 113967531 FZPSMCMFPUJRJM-UHFFFAOYSA-N 361.467 2.253 0 40 FEAB CN(C)C(=O)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306139080 SOVPSHOFSGAZEP-SJORKVTESA-N 356.401 2.190 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@H]4CCCO4)cc3)C(=O)[C@H]2C1 408682689 LFCVIVHXZVPPRV-SQNIBIBYSA-N 368.433 2.441 0 40 FEAB CC1(C)OC[C@H]2C[C@]21NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 529779202 AMRWZUXRSMXMDO-QRWLVFNGSA-N 355.438 2.087 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 72400803 VRRKAQUKYXVYMQ-LBPRGKRZSA-N 353.338 2.155 0 40 FEAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71288706 WVBIFHBIKSGPDB-UHFFFAOYSA-N 363.333 2.074 0 40 FEAB CCCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1 71772014 JLJIDEAIEUQHQK-UHFFFAOYSA-N 350.444 2.137 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218620227 BJVJTQCRRMOEPG-IXDOHACOSA-N 350.871 2.244 0 40 FEAB CCC[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 40157207 XPCJRGXDAGALJS-QGZVFWFLSA-N 360.458 2.104 0 40 FEAB Cc1cc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc(C)n1 569564989 YNZOXHLHLKHHDT-HNNXBMFYSA-N 359.451 2.069 0 40 FEAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1c1ccc(O)nn1)CO2 530075078 FTPNMPNBFZFZSA-XJKSGUPXSA-N 355.394 2.106 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 96229756 YPSGLSPUKNONKI-GOSISDBHSA-N 350.484 2.415 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96227475 DZKWCUBOYHKPBP-YLJYHZDGSA-N 353.397 2.389 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccc(OC)c4)C[C@@H]32)N=C1C 96261515 RYVQTTFGHXAKSC-SLYNCCJLSA-N 371.481 2.183 0 40 FEAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)N1CCOCC1 578845169 DQHMWWKLLRVWHM-CYBMUJFWSA-N 362.380 2.185 0 40 FEAB COc1ccc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cc1 96049009 LXRXWRDSGWMUHN-UHFFFAOYSA-N 372.444 2.496 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCN1CCCC1 248045579 WVJDFJCMFIKHJI-KRWDZBQOSA-N 364.511 2.261 0 40 FEAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCC[C@H]2CCCN2C)c1 257204300 ATXALOJTQKUQPZ-QGZVFWFLSA-N 355.486 2.148 0 40 FEAB CNc1cc(C)nc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)c1 257285716 PILJBNGFKBBOCE-CQSZACIVSA-N 353.469 2.255 0 40 FEAB CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)CC)C3)nn2c1C 257268008 MJWGMHWPTKWLNH-OAHLLOKOSA-N 371.485 2.141 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4ccnc(C)n4)C[C@H]23)cc1 257207602 BILKCZIFZJQBDJ-QWFCFKBJSA-N 366.465 2.354 0 40 FEAB CO[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@]12CCCO2 257243084 IFKGOHMQYBOOFV-CRAIPNDOSA-N 370.396 2.496 0 40 FEAB FC(F)n1ccnc1CN1CCN(c2nnc(-c3ccon3)s2)CC1 585082335 FNZABMDACNTDTI-UHFFFAOYSA-N 367.385 2.107 0 40 FEAB O=C(CCc1nc(O)c2ccccc2n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 604405807 VUVHAVKPOQXWRM-VLIAUNLRSA-N 355.438 2.422 0 40 FEAB biogenic Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)cnn1 630142809 ZVOJZWDQZJSLEJ-MRXNPFEDSA-N 368.393 2.117 0 40 FEAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575422331 BGGAGSSZCMWSTB-GJZGRUSLSA-N 359.513 2.280 0 40 FEAB CCc1oncc1C(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575406085 VIFHJFLQTJBWQU-OAHLLOKOSA-N 357.410 2.222 0 40 FEAB Cc1nc2ccc(NC(=S)NC[C@H]3CCS(=O)(=O)C3)cc2s1 575420867 FVAWYVYUOQXRIY-SNVBAGLBSA-N 355.510 2.326 0 40 FEAB CCc1ccc(CN2CC3(CC[C@@H](CNS(=O)(=O)CC)CO3)C2)cc1 585103688 CXASQLUVYBBKGA-SFHVURJKSA-N 366.527 2.169 0 40 FEAB O=C(CCN1CCCCC1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585271335 GEDOBMMZFYIXKY-IBGZPJMESA-N 350.434 2.044 0 40 FEAB O=C(N[C@H]1COc2ccccc2C1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 678354002 WOXYQTBHMPAGDE-ZIAGYGMSSA-N 372.371 2.438 0 40 FEAB Cc1ccc(C(=O)N2CCn3c(COc4cccnc4)nnc3[C@@H]2C)o1 585098059 SWOXHYPYLIUFCL-ZDUSSCGKSA-N 353.382 2.371 0 40 FEAB O=C(NCc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CCC[C@@H](O)C1 684886284 IBNQWKIJNGOHMO-HZPDHXFCSA-N 367.877 2.279 0 40 FEAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NC[C@H]1COCCO1 55846653 SMQMRHYUEYVIQQ-KRWDZBQOSA-N 365.433 2.490 0 40 FEAB CC(C)n1cnnc1SCC(=O)NCc1ccc(N2CCCC2)nc1 58316142 ODUIZPINPRQUCA-UHFFFAOYSA-N 360.487 2.263 0 40 FEAB O=C(c1ccc(-n2ccnc2)cc1)N1CCN(CCc2ccncc2)CC1 636296854 USGPCRORAHMQFX-UHFFFAOYSA-N 361.449 2.268 0 40 FEAB Cc1noc(CN2CCN(c3ncnc(-c4ccccc4)c3F)CC2)n1 1775970843 SMIJWLBHDCTJRG-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB Nn1cnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 931234 RVBLKUSHFOSDOQ-UHFFFAOYSA-N 351.741 2.395 0 40 FEAB CSc1nnc([C@H]2CCCN2CC(=O)NCc2cccs2)n1C 5001604 LVASNZJTOPETAB-GFCCVEGCSA-N 351.501 2.052 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OCC)[n+]1ccccc12 5121013 HXHJZSGLOLVDAU-MANSERQUSA-N 352.410 2.381 0 40 FEAB Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 12087594 YPXCTWJYIRAACQ-VLIAUNLRSA-N 367.453 2.002 0 40 FEAB O=C(CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)NC1CCCC1 12377127 VWMLCJAKAZDJBE-UHFFFAOYSA-N 369.450 2.260 0 40 FEAB biogenic,in-vitro O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H](c1ccc(F)cc1)N1CCCN21 19169784 QUSWSRUHJWTJCL-KURKYZTESA-N 351.381 2.361 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)n(C)n1 19452246 DDTSMZPXXHIRQR-AWEZNQCLSA-N 369.469 2.066 0 40 FEAB CCn1cc(C(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)cn1 19524879 KDXHDXPJEKHIBA-GFCCVEGCSA-N 359.411 2.228 0 40 FEAB CN1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C3)cn2)CC1 106257958 AFWCIOGERORJRQ-UHFFFAOYSA-N 351.454 2.059 0 40 FEAB NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)cc1Br 682610630 NXXIWZOHCVSMLR-UJVNDKKSSA-N 373.197 2.453 0 40 FEAB CCc1cc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)ncn1 1888859482 CBNKONXPSMQGIZ-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]1 1889128295 ACJDYOHWFKKIRU-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB Cn1ccnc1C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 1848357031 NSGUPHPIIODHIV-JXFKEZNVSA-N 370.428 2.355 0 40 FEAB CC(C)N1CC2(CN(C(=O)Cc3noc4ccccc34)C2)c2nccnc21 1565555500 IZPUOWBNOQBEKG-UHFFFAOYSA-N 363.421 2.169 0 40 FEAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CC)o2)cc1 2456926 MXXLYURLKAZNOO-UHFFFAOYSA-N 366.443 2.305 0 40 FEAB COc1ccccc1CN[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732301 AJLUULJIHIRSAS-MRXNPFEDSA-N 357.454 2.163 0 40 FEAB Cc1cc(OC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc(=O)n1C 585326423 CAJWWTDUAVZBRA-UHFFFAOYSA-N 366.421 2.254 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)c1 19564232 AKUUMRZGEAASCZ-HNNXBMFYSA-N 365.437 2.028 0 40 FEAB CC(C)c1noc(CCCC(=O)NC2CCN(c3ncccn3)CC2)n1 40134370 BISAEUJTEDZILZ-UHFFFAOYSA-N 358.446 2.091 0 40 FEAB NC(=O)[C@@H]1CN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CCO1 50955710 XNNZYCUFVLRADR-LBPRGKRZSA-N 358.467 2.138 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 4996107 MJHZNVHQIZOFEU-UHFFFAOYSA-N 365.382 2.116 0 40 FEAB Cc1ccc2nc(CN(C)C[C@H]3COc4ccccc4O3)cc(=O)n2c1 6586856 RXQWJEGNOBSPMF-INIZCTEOSA-N 351.406 2.275 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102429150 UQSDRBXQJZPBMZ-CHWSQXEVSA-N 360.410 2.166 0 40 FEAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 21631747 OCRBOKVIGJHBNI-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB C[C@H](c1nn(CN2CCOCC2)c(=S)n1-c1ccc(F)cc1)N(C)C 21641763 FJJFXTYDLBKUHJ-CYBMUJFWSA-N 365.478 2.455 0 40 FEAB COc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449834 LSXKQAJDGXYOBW-CQSZACIVSA-N 374.462 2.439 0 40 FEAB CCOc1cc(CNCCCN(C)C)ccc1OCC(=O)NC(C)(C)C 8254407 FHUUDHLOULCJIX-UHFFFAOYSA-N 365.518 2.420 0 40 FEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCC(C)CC2)N[C@H]1c1ccc(F)cc1 8559811 CGAHEZWJOBJDIX-HOTGVXAUSA-N 361.417 2.264 0 40 FEAB CCN(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(F)c(F)c1 103075028 KFTUGUFTCUZYKN-BHWMQLMCSA-N 360.360 2.125 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1ccc(Cl)cc1Cl 100887261 NEPVLKLTGWPXHZ-UHFFFAOYSA-N 357.222 2.067 0 40 FEAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2)C1=O 104669950 DDORCRDFKWIPOF-YXWQFLTLSA-N 369.421 2.241 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 24032400 HNEVDVUADZMQRQ-ACJLOTCBSA-N 355.394 2.085 0 40 FEAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCc2cccnc2)C1 108534667 WGLWXJAFGZPALI-UYAOXDASSA-N 353.470 2.124 0 40 FEAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O 20635431 QPWDGVYPLJFOTC-GFCCVEGCSA-N 371.389 2.482 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 106540872 FDXFTJKIHVOBSW-RBSFLKMASA-N 368.499 2.259 0 40 FEAB Cc1cc(NC(=O)CN2CCOCC2)n(-c2nc3ccccc3s2)n1 25330198 CEHBCXJSBAPHBQ-UHFFFAOYSA-N 357.439 2.061 0 40 FEAB NC(=O)c1cccc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 25821155 OBHGRWWDUPNJGQ-LJQANCHMSA-N 367.430 2.031 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 3308059 YSGIFZJMKDXWPY-UHFFFAOYSA-N 364.760 2.302 0 40 FEAB COc1cccc(CN(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 57701479 IBYHRJBAWNNZEA-UHFFFAOYSA-N 373.453 2.298 0 40 FEAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3352985 JUQYDRLOVPNKMY-GFCCVEGCSA-N 355.341 2.193 0 40 FEAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3366822 OMMXSYOCOOOFLS-AWEZNQCLSA-N 373.478 2.327 0 40 FEAB O=C(NC[C@@H](O)COCC1CC1)Nc1nnc(C2CCCCC2)s1 58133821 KVCCJZCQVGYFIE-CYBMUJFWSA-N 354.476 2.495 0 40 FEAB O=C(NC1CCN(Cc2nnnn2-c2ccccc2)CC1)c1cccs1 58173646 ZAFFNUCTZGYKDU-UHFFFAOYSA-N 368.466 2.118 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 12981559 BCEQJFSSHUQDFK-UHFFFAOYSA-N 372.446 2.341 0 40 FEAB Cc1nn(C)c2c1[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)SCC(O)=N2 49548107 PLQYSUUBASTPDD-OAHLLOKOSA-N 357.439 2.343 0 40 FEAB COCCNC1=NN=C(c2cc(C)n(C[C@H]3CCCO3)c2C)CS1 6048065 JINVFKMNJMECJR-CQSZACIVSA-N 350.488 2.327 0 40 FEAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccc(NC(N)=O)c2)cc1 14136393 ITWJCZVORBKWQX-ZDUSSCGKSA-N 355.394 2.347 0 40 FEAB CCCN1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9015759 DBNAUIVENKSLRC-HXUWFJFHSA-N 351.406 2.307 0 40 FEAB Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc(O)ccc12 6623727 GHGQOHQODACJED-UHFFFAOYSA-N 355.394 2.143 0 40 FEAB biogenic CCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 4731950 DGQXEEXUSJMIPW-NSHDSACASA-N 360.439 2.491 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1C 7675884 JCMZZBFMWXFISA-UHFFFAOYSA-N 351.362 2.335 0 40 FEAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N(C)C1CCCCC1 7779136 QVWICYKGRAMFFJ-QMMMGPOBSA-N 351.398 2.282 0 40 FEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CCCO1 7952224 DZLJQGPXIMFLMG-INIZCTEOSA-N 364.442 2.438 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NC1CC1 408557662 OBTZYFDKCMYANT-UHFFFAOYSA-N 372.874 2.172 0 40 FEAB O=C1C[C@H](Cc2ccc(NC(=O)[C@@H]3CCOc4ccccc43)cc2)C(=O)N1 78850225 KTAWTQAEKWAIBN-WMLDXEAASA-N 364.401 2.397 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC=C(F)C1)C2=O 95464783 PGJVIKLNWCYABU-KZULUSFZSA-N 351.422 2.209 0 40 FEAB COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)ccc1[N+](=O)[O-] 95989720 UWBUNRPDEPWEFL-CYBMUJFWSA-N 362.313 2.168 0 40 FEAB Cc1cc(C)n2c(CNC(=O)c3ccccc3Br)nnc2n1 9996197 PCPBLXLWPLJYLI-UHFFFAOYSA-N 360.215 2.434 0 40 FEAB Cc1cc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2c(C)noc2n1 9950847 NPEGVLBUNSHIJW-UHFFFAOYSA-N 366.333 2.049 0 40 FEAB CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)CCc1ccccc1 543382936 AUDYOMZCZGOGHH-IRXDYDNUSA-N 364.511 2.188 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccc3c(c2)OCO3)c1 25368596 DSCLJCBYZVXYPT-QGZVFWFLSA-N 357.406 2.490 0 40 FEAB C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 408709437 SXPGBIBKZMJBRQ-CYBMUJFWSA-N 351.406 2.395 0 40 FEAB Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)o1 72326892 CNJDWVFPPMZJNY-AFBRZQFHSA-N 366.421 2.325 0 40 FEAB COC(=O)c1ccc(F)c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 32903668 UKKDFHLQBAKVBH-LBPRGKRZSA-N 360.341 2.193 0 40 FEAB Cc1nn(Cc2c(C(=O)O)noc2C)c(C)c1I 34925037 PZAINGBAOLZTBB-UHFFFAOYSA-N 361.139 2.147 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1cn(C)nc1C)CC2 566075216 ZANRDDJLDVQEID-MRXNPFEDSA-N 359.426 2.320 0 40 FEAB CN(C(=O)NCc1csc(-c2ccccc2)n1)[C@@H]1CCN2CCO[C@H]1C2 565288554 ZGOWVYYBYYEPPG-SJORKVTESA-N 372.494 2.425 0 40 FEAB Cc1ncc(Cl)c(C(=O)N2CCN(c3ncnc4ccsc34)CC2)n1 525132862 QWSGRNMTQLFVJS-UHFFFAOYSA-N 374.857 2.406 0 40 FEAB COc1ccc(N(CCCC(=O)NCCC(C)C)S(C)(=O)=O)cc1 225873420 VYPTVZQMIZCWHT-UHFFFAOYSA-N 356.488 2.404 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)C1 40104241 UZZKROYDWZTZFE-NWDGAFQWSA-N 361.398 2.213 0 40 FEAB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCO2 45521258 WWBUUXUCEHYRFL-UHFFFAOYSA-N 351.399 2.460 0 40 FEAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)c2ccc(F)cc2)c1 223017327 UYJROYAWROKEPX-UHFFFAOYSA-N 366.414 2.409 0 40 FEAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)CCC1=O 225873449 MBQLWDMBHJOSBK-SNVBAGLBSA-N 365.227 2.266 0 40 FEAB Cc1nsc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 96098495 ZJBYMBFZOLVEPZ-UHFFFAOYSA-N 357.361 2.223 0 40 FEAB Cn1cccc1CN1CC[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96158212 QPMFNQKUSYWGBM-NRFANRHFSA-N 352.482 2.477 0 40 FEAB CN1C[C@H]2C3(CCN(Cc4cccnc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036289 LOIFZJOIIHPXRP-GHTZIAJQSA-N 356.514 2.094 0 40 FEAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 332162654 TZGXSPZTASXXML-IINYFYTJSA-N 365.480 2.232 0 40 FEAB Cc1nocc1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@H]1c1cnco1 96087092 MDWLFWNUXXKNNI-KRWDZBQOSA-N 366.377 2.418 0 40 FEAB CSc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4nnnn4n3)C2)c1 95474595 GCVSRSULWZVKNU-GFCCVEGCSA-N 369.454 2.096 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227022 HVOZTFXQJHITGU-GHTZIAJQSA-N 367.424 2.318 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](OCc2ccccn2)C1 247731970 HRCIHGCPLJXXER-LJQANCHMSA-N 370.453 2.165 0 40 FEAB CN(C1CCOCC1)[C@H]1CCN(C(=O)/C=C/c2ccccc2)CC[C@@H]1O 257272567 NCXAYXOEAYCYKJ-RLFQVEEXSA-N 358.482 2.163 0 40 FEAB CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 257313972 UUWOBJAACZDNEY-FQEVSTJZSA-N 374.460 2.288 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3ccncn3)C2)ncn1 257301209 RXKPYTZEZJBDPN-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCCc2cc(Cl)ccc21 622960635 XRNPAPXXWFEFCR-HNNXBMFYSA-N 356.875 2.433 0 40 FEAB C[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)[C@@H](C)O1 634023604 YYEUTQOCLQGICG-CPUCHLNUSA-N 356.426 2.208 0 40 FEAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635015741 IBOOUUVFZANDAF-BBRMVZONSA-N 356.426 2.278 0 40 FEAB N[C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 652384246 UROWPNSDGLNQMS-IKGGRYGDSA-N 356.463 2.016 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)[C@H]1n1cccn1 667834680 PKJWVSOTGSBMHP-LZLYRXPVSA-N 373.432 2.208 0 40 FEAB CCS(=O)(=O)N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988462 GBKBNVONRHMKRK-MNOVXSKESA-N 360.361 2.141 0 40 FEAB CO[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1cccc(F)c1 96388239 HHIRTVQMSORKFY-KRWDZBQOSA-N 365.426 2.493 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CCC[C@H](O)C1)C2 585103475 GQQNMEYXRSGOGW-OALUTQOASA-N 358.482 2.155 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)n1 585277469 VGMOVEINYVWEMP-FQEVSTJZSA-N 357.454 2.241 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 54325677 CNZRYRPMNYJBTM-VWLOTQADSA-N 357.435 2.347 0 40 FEAB Cc1cc(NC(=O)c2cc3ccccc3n2C)n([C@@H]2CCS(=O)(=O)C2)n1 55096095 GMLDWULJZUZLIH-CQSZACIVSA-N 372.450 2.295 0 40 FEAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)cc1 11666911 ONOVZUNPHDZFBJ-YLAKUSLOSA-N 362.422 2.161 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 12276538 AXLZFEABHTYEDQ-OAHLLOKOSA-N 354.414 2.017 0 40 FEAB Cc1ncc2c(n1)C1(CCN(C(=O)c3cc(C(C)C)nn3C)CC1)OCC2 12407078 YJGJOZMALAXWCJ-UHFFFAOYSA-N 369.469 2.346 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2 16104411 SYNNMRCMQYLAGT-UHFFFAOYSA-N 359.288 2.426 0 40 FEAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4ccccc4)C3=O)nnc2n1 18077560 VZXSLPDIODDRAZ-CYBMUJFWSA-N 353.407 2.165 0 40 FEAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)CCN 19585190 FZJODZHBADYZGP-ZBFHGGJFSA-N 366.469 2.223 0 40 FEAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(c2ncccn2)CCO1 19702672 VXLXEGLETNFMTK-GFCCVEGCSA-N 355.423 2.024 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)C3)C1 19711118 YVWUETGXOSGLKH-QGZVFWFLSA-N 373.501 2.317 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 619291627 IXOHYGBKOCVSFW-TVQRCGJNSA-N 357.336 2.060 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@@H]3C2)nc2ccccc21 1888890494 JRJPFCIDFKEHAB-ZIAGYGMSSA-N 365.412 2.316 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3n2)cc1 4248494 RTVWHVBPAIFTJS-UHFFFAOYSA-N 372.450 2.122 0 40 FEAB COc1ccc(CC(=O)Nc2c(C)nc3sccn3c2=O)cc1OC 8931647 KVPAYVDMXNFTAW-UHFFFAOYSA-N 359.407 2.263 0 40 FEAB CCn1c(O)nc2c(N3CCN(c4cccc(C)c4C)CC3)ncnc21 2086865353 PCPHXHLBVARDTG-UHFFFAOYSA-N 352.442 2.495 0 40 FEAB CCCn1nc(C(=O)Nc2cccc(NC(=O)NC3CC3)c2)ccc1=O 40050294 FKFBWUAZWFSWLL-UHFFFAOYSA-N 355.398 2.190 0 40 FEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(C(=O)N2CCCC2)CC1 40049111 XNXOZJBXZZHXHG-UHFFFAOYSA-N 366.465 2.406 0 40 FEAB COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 40108638 UVCJHECMZKZYGM-CQSZACIVSA-N 360.435 2.356 0 40 FEAB O=C(CCc1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40160803 MILQIVIGXXEKSS-INIZCTEOSA-N 350.846 2.122 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)cc1OC 32072686 DPSNWANRBLFMEI-UHFFFAOYSA-N 353.378 2.440 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sccc32)cc1 32100292 XFOMKYDHDNTEKA-UHFFFAOYSA-N 373.434 2.453 0 40 FEAB O=C(CCCN1Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 20732090 RZPXVEWILXRVHD-UHFFFAOYSA-N 364.449 2.166 0 40 FEAB O=C(CNC(=O)c1ccco1)OCc1noc(-c2ccc(Cl)cc2)n1 29381608 PANBBZKYKNWDPH-UHFFFAOYSA-N 361.741 2.456 0 40 FEAB O=C(Nc1nncs1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 21215541 YHXXXQHAOQWVSJ-UHFFFAOYSA-N 374.447 2.269 0 40 FEAB COc1cc(C(=O)NC(=S)Nc2nccs2)cc(OC)c1OC 3148025 JELXXKVFQGTPND-UHFFFAOYSA-N 353.425 2.296 0 40 FEAB CC[C@@H](C)N(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1 4965201 DAMRPPBALIVYQB-LLVKDONJSA-N 350.419 2.234 0 40 FEAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)c1 6034125 PTCWECYZKJPQIN-UHFFFAOYSA-N 374.393 2.235 0 40 FEAB COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)[C@@H]2CCCO2)C3)c(OC)c1 100890803 GQLGHTDKUWHYEO-LNLFQRSKSA-N 374.481 2.494 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 53286709 KUXBLLUZJGHOKW-UHFFFAOYSA-N 360.454 2.253 0 40 FEAB CC(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC(N)=O 22580184 NNACFRVVMQNEMD-JTQLQIEISA-N 353.835 2.437 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1 791743 FVANZUCANNVJBX-KRWDZBQOSA-N 373.478 2.107 0 40 FEAB O=C1NCCCC[C@@H]1Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 58341952 NEXUTRNQNWLQKF-BBRMVZONSA-N 373.478 2.336 0 40 FEAB CC(C)CS(=O)(=O)CCC(=O)/N=c1/sccn1Cc1ccccc1 104343005 UYZGVENMDYNZTM-ISLYRVAYSA-N 366.508 2.486 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCC3)C2=O 23040836 LOWWEYRRJQNGCY-QGHHPUGFSA-N 362.455 2.071 0 40 FEAB C[C@@H](O)CN1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411592 MCOWWDKSJDALCK-CQSZACIVSA-N 356.470 2.295 0 40 FEAB O=C1CN(c2ccc(NC(=O)C3=NO[C@H](c4ccccc4)C3)cc2)CCN1 54656878 WYMUQAXLVWKWDQ-SFHVURJKSA-N 364.405 2.079 0 40 FEAB CN1C(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2C1=O 24020428 QQCPHVMYCJZNOH-UHFFFAOYSA-N 360.167 2.322 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 24700625 VCCOIIYVANENHN-UHFFFAOYSA-N 367.405 2.359 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 12521017 NUBIAYLNJQVHBJ-UHFFFAOYSA-N 372.443 2.315 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(-n2cncn2)c(F)c1 56091855 FGSFUDLYSQSLCA-UHFFFAOYSA-N 366.418 2.092 0 40 FEAB C[C@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(=O)NC(C)(C)C 56160912 JRYUHRSYSDXDPI-LBPRGKRZSA-N 362.430 2.064 0 40 FEAB CC(C)Cc1nc(CSc2nnc3n(C)c(=O)c4ccccc4n23)no1 12538547 QTXLQQCTSWNCMB-UHFFFAOYSA-N 370.438 2.455 0 40 FEAB Cc1cc(C)n2c(SCC(=O)NCCc3ccc(F)cc3)nnc2n1 3255782 WFNZKGJMQWNFFA-UHFFFAOYSA-N 359.430 2.331 0 40 FEAB CCOC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCC2)cn1 58214315 AUUFCZWPYPFCJG-GFCCVEGCSA-N 358.485 2.300 0 40 FEAB CS(=O)(=O)NC1(C(=O)NCC2(c3ccccc3)CCC2)CCCCC1 58365735 SXCBSWCWCOZGOG-UHFFFAOYSA-N 364.511 2.477 0 40 FEAB COC(=O)c1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1Cl 10682621 KZCIHWYQRAIJJK-UHFFFAOYSA-N 371.780 2.475 0 40 FEAB C[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)N(C)c1ccccc1 48230505 XQGDMKBFYJYORB-OAHLLOKOSA-N 352.500 2.375 0 40 FEAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1F 12768341 LWUMIZXMDMJMLV-NSHDSACASA-N 373.359 2.236 0 40 FEAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F 28512593 BQTVFAHKWVJDJT-NSHDSACASA-N 360.341 2.193 0 40 FEAB C[C@H]1CN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CCO1 11454743 FVIWBQYTDOHADK-AWEZNQCLSA-N 364.401 2.344 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1cccs1 48301476 NFHCGYGKUPIGSR-AAEUAGOBSA-N 352.456 2.163 0 40 FEAB O=C1C[C@@H](C(=O)OCc2cc(=O)n3ccccc3n2)c2ccc(F)cc2N1 12947167 FPXDTXJFNIBLTE-CQSZACIVSA-N 367.336 2.003 0 40 FEAB Cc1ccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc1Cl 6199572 DIOBPMNYLMBYDZ-PXNMLYILSA-N 370.865 2.150 0 40 FEAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 6366939 IOPLCMQCLNDQCK-SNVBAGLBSA-N 362.407 2.350 0 40 FEAB Cc1cccc(-c2nnc(SCC(=O)NC(=O)c3cccn3C)n2C)c1 14183730 FGOYVVUTRWTLCB-UHFFFAOYSA-N 369.450 2.178 0 40 FEAB COc1ccc(OCCN2CCN(C(=O)c3c(C)noc3C)CC2)cc1 14165025 MMAXYKIUROPIJI-UHFFFAOYSA-N 359.426 2.137 0 40 FEAB CCOC(=O)c1nc(C(=O)OCC)c2c(C)nn(-c3ccccc3)c2n1 14187789 TYFWQBYFQFDFIB-UHFFFAOYSA-N 354.366 2.477 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 5568900 FSUYURUQHLXUGK-UHFFFAOYSA-N 355.753 2.009 0 40 FEAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCC1CCCCC1 6649539 AUSVUIMIKDCGDR-LBPRGKRZSA-N 357.410 2.165 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(CCc1ccccc1)S(C)(=O)=O 4704950 QDDPWJJPRDVVPC-UHFFFAOYSA-N 360.479 2.149 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2cccc(C)c2)c2nn[nH]n2)cc1OC 6860330 OOGFVGFKZODDFF-OAHLLOKOSA-N 367.409 2.490 0 40 FEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1C(N)=O 7022692 CQWBICJQURGQNS-INIZCTEOSA-N 374.824 2.134 0 40 FEAB O[C@@H](COCc1ccccc1F)CSc1nnnn1-c1ccccc1 7136641 DKZXIXKMKCLNQP-HNNXBMFYSA-N 360.414 2.471 0 40 FEAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1 7481488 WLDFXCCBJDCFPT-ZETCQYMHSA-N 353.425 2.104 0 40 FEAB CCOC(=O)c1cnc(S[C@H](C)C(=O)N2CCc3ccccc32)nc1N 9146970 ODZYENRGCWKMSU-LLVKDONJSA-N 372.450 2.305 0 40 FEAB COc1cc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc(OC)c1 9154721 LKFTVGKPPDAKQR-SFHVURJKSA-N 356.378 2.456 0 40 FEAB CC(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 9227428 CFHBDBKPKXOHGP-UHFFFAOYSA-N 353.271 2.280 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C(N)=O)C1 9595490 RJINPVDNXGHIQD-CVEARBPZSA-N 358.486 2.201 0 40 FEAB CN(C)CCn1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72072086 XAMVFSPHWNBYSZ-AWEZNQCLSA-N 365.478 2.173 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2cccs2)on1 84582102 DTFZMYOOWUJQJJ-AWEZNQCLSA-N 353.403 2.456 0 40 FEAB O=C(CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)NCc1ccco1 24957910 BOJBENVCMZVXTD-UHFFFAOYSA-N 358.785 2.369 0 40 FEAB CC(C)Cc1nc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)no1 95462570 JLGXJFDNZVCZDD-GOSISDBHSA-N 357.502 2.346 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 27408951 PFQRMWSGYYLSOE-UHFFFAOYSA-N 356.378 2.086 0 40 FEAB Cc1c(C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cnn1C 21603647 IIZGLGOQGDXJPF-UHFFFAOYSA-N 353.781 2.336 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NCc1ccccc1)O2 64988432 UUGSMBQYLHPHEX-SFHVURJKSA-N 374.462 2.229 0 40 FEAB Cn1cc(C(=O)O)c(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)n1 36615407 XOJUVQUENZRTNB-UHFFFAOYSA-N 359.773 2.269 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 524733261 JYOUOFKZYIEYGT-LPHOPBHVSA-N 361.490 2.167 0 40 FEAB O=C(CN1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1)NC1CC1 32242928 FUIUFEZQFDBUCI-DHZHZOJOSA-N 363.461 2.276 0 40 FEAB O=C(Cc1c(F)cccc1Cl)Nc1cc(N2CCOCC2)ncn1 75166262 UHOANRDTEAXUMB-UHFFFAOYSA-N 350.781 2.287 0 40 FEAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 72391687 ICZXHRUAMSSEIA-CQSZACIVSA-N 358.490 2.140 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C)c1 226390233 SRQKXODYLGHJSE-HMSXXHTOSA-N 350.418 2.359 0 40 FEAB CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccnc2)[C@H](C(=O)O)C1 96069135 DBLZPJOSUOOSKB-MSOLQXFVSA-N 353.422 2.271 0 40 FEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 331353175 XXUBVPUDWDUBIN-IAQYHMDHSA-N 360.426 2.298 0 40 FEAB COCC(=O)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038260 YDCDVRDDXUBOSH-UHFFFAOYSA-N 351.410 2.144 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(CCc3ccccc3)C2)C1 96226035 OFENGHPEAZUZNK-HXUWFJFHSA-N 350.422 2.484 0 40 FEAB COc1ccc(-c2[nH]ncc2[C@@H](CC(=O)O)c2c(O)cc(C)[nH]c2=O)cc1 95472746 IFDJPUWBXCDWBF-CYBMUJFWSA-N 369.377 2.394 0 40 FEAB Cc1ccc(CN2CCC[C@]3(C[C@H](OCC(=O)N(C)C)CO3)C2)s1 96206179 TUYSUBUUTAOGDS-YJBOKZPZSA-N 352.500 2.285 0 40 FEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)COc1cccc(Cl)c1)C2 96219917 ONPVDLKKWMIIPY-KBXCAEBGSA-N 352.862 2.146 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](CCOc3cnccn3)CCO2)C1 247894898 UQXJXYAAGGZUMJ-MRXNPFEDSA-N 370.453 2.330 0 40 FEAB O=C(C1CCOCC1)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 247866793 OXIKWISVDMKACZ-INIZCTEOSA-N 360.454 2.285 0 40 FEAB Cc1cc2nccc(C3CCN(C(=O)CCc4ccnn4C)CC3)n2n1 257218291 DCOFFNLAMMFMCE-UHFFFAOYSA-N 352.442 2.110 0 40 FEAB Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)no1 253477948 IHTNJMZXOVQJHW-MRXNPFEDSA-N 364.442 2.047 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 257262347 LLBLSWYRCUARNS-HNNXBMFYSA-N 352.442 2.408 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(Cc1ncccc1F)CC2 257237184 HFMMGZZVZCUQMC-MOPGFXCFSA-N 369.440 2.425 0 40 FEAB Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2cccnc2)nc2ccnn12 257303696 SIIORYQAXJAHFU-INIZCTEOSA-N 357.439 2.349 0 40 FEAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)ccn1 257232062 GJHHMTSAJIQUOK-QGZVFWFLSA-N 364.409 2.122 0 40 FEAB CCCn1cc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257270529 MUQCOORIEVYIBF-IIAWOOMASA-N 354.882 2.054 0 40 FEAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(Cn2cccn2)c1 257225219 FFIKPSZGSWSORF-UHFFFAOYSA-N 359.382 2.189 0 40 FEAB Cc1nnc(COC2CN(C(=O)[C@@H](C)Oc3ccccc3Cl)C2)o1 644212315 INCGATZLLUCMTI-SNVBAGLBSA-N 351.790 2.226 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(=O)O)nc3)CC2)cc1 653286333 RUVHKEIFDJHESO-UHFFFAOYSA-N 368.393 2.078 0 40 FEAB Cn1cnnc1N1CCN(C(=O)Nc2ccnc(-c3ccccc3)c2)CC1 654025676 KFLVFRRTPVYAHY-UHFFFAOYSA-N 363.425 2.231 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cn(C)nc2C(C)(C)C)C1 1775957500 XVHWNGLYKHNPDN-CABCVRRESA-N 358.490 2.217 0 40 FEAB CCS(=O)(=O)N[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988461 GBKBNVONRHMKRK-GHMZBOCLSA-N 360.361 2.141 0 40 FEAB Cn1ncc2c(NC3CCC(n4nc(C5CC5)ccc4=O)CC3)ncnc21 585620849 LJNYAGGTLIIEKH-UHFFFAOYSA-N 365.441 2.393 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(Cl)ccc2Cl)C1 685941443 XAVZPIPXVSEVKJ-UFBFGSQYSA-N 359.209 2.045 0 40 FEAB CS(=O)(=O)CCCNC(=O)c1cccnc1Nc1cccc(F)c1 71186447 CWRGYGHBUNMZKZ-UHFFFAOYSA-N 351.403 2.129 0 40 FEAB CCOc1cccc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1 548010618 JJDWLYFLKBODBJ-GOSISDBHSA-N 360.483 2.483 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154537 GRMOVDOEOJVDDH-LJQANCHMSA-N 373.384 2.160 0 40 FEAB Cc1cccnc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160854 TWMFFQPOTAUULW-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB CC(C)NC(=O)Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O 14001138 JMLRTDCGDOBECA-UHFFFAOYSA-N 363.215 2.165 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)c1 14069552 QXSYOVFOXGHSDA-UHFFFAOYSA-N 367.409 2.407 0 40 FEAB Cc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)nc1 19215730 QFMOVGBZXMDPEC-HTZLVSCSSA-N 367.497 2.366 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344367 KFRYFRJGPRABKO-NSHDSACASA-N 355.423 2.241 0 40 FEAB CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 19527785 ALKFUBDKEXSQQR-DZJZLKLXSA-N 354.450 2.211 0 40 FEAB CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CN(C)CC2 19711432 MKTXHJRXOVBSPH-OAHLLOKOSA-N 357.502 2.402 0 40 FEAB Cc1nc(C)c(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)s1 19748650 PFCRDXGDYXYZHV-UHFFFAOYSA-N 361.442 2.330 0 40 FEAB COc1ccccc1CC(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829895 HIWOIANVDASXEJ-LBPRGKRZSA-N 368.359 2.270 0 40 FEAB Cn1nc(C(=O)Nc2nc(CN3CCCC3)cs2)c2ccccc2c1=O 9217502 GRYVWCAIHGRFDO-UHFFFAOYSA-N 369.450 2.238 0 40 FEAB Cc1ccccc1CC(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888875995 GTTOZXALQZWVFN-UHFFFAOYSA-N 370.428 2.398 0 40 FEAB COc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 2712177 KXMPOZGVCMCRBF-UHFFFAOYSA-N 366.373 2.420 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 19404365 NZNZHTDYECDOQJ-HNNXBMFYSA-N 356.474 2.071 0 40 FEAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cn(Cc2ccccc2)nn1 40039702 FUNHYNZFXCQNIM-UHFFFAOYSA-N 372.432 2.485 0 40 FEAB O=C(NCCNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1 40108685 IPBFKLQRISUMEH-UHFFFAOYSA-N 368.418 2.158 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)NC[C@@H]1COc2ccccc2C1 30937383 VCTJVABTZATHEZ-CYBMUJFWSA-N 371.462 2.180 0 40 FEAB CCC[C@@H](NC(=O)COc1cc2oc(=O)cc(C)c2cc1CC)C(=O)O 11866741 WACMUGJDTAAJLS-CQSZACIVSA-N 361.394 2.412 0 40 FEAB CCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@](O)(c2ccncc2)C1 879384 ZFCLLQHLXOOEAZ-FQEVSTJZSA-N 369.421 2.485 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 1442489 SWHYELYFXHVCKL-OAHLLOKOSA-N 365.407 2.348 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O 21559184 VOGXQEPANLILRY-MGPUTAFESA-N 354.406 2.300 0 40 FEAB CCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc21 4858127 OZKNZQRHLSFLSN-UHFFFAOYSA-N 357.458 2.021 0 40 FEAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4884927 JMAYTTKKIKIUGQ-WZTLGTBRSA-N 364.467 2.116 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl 6883956 GOCHDHMEECOTIA-LBPRGKRZSA-N 374.890 2.274 0 40 FEAB COc1ccc(-n2nc(C(=O)NCCO)nc2-c2cccc(Cl)c2)cc1 8476345 KZHGVBCGOISNAP-UHFFFAOYSA-N 372.812 2.318 0 40 FEAB Cc1ccc(OC[C@H](C)NC(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 58377651 PKQKTPNDNUVMAN-LSDHHAIUSA-N 359.426 2.359 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2ccccc2)cc1Cl 33051104 UKFRAULVWAZABF-UHFFFAOYSA-N 355.781 2.496 0 40 FEAB C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)N4CCNC4=O)cc3c2C1 22042483 VLEVTJXTLISRAY-VXGBXAGGSA-N 369.421 2.390 0 40 FEAB Cc1nn(CCC(=O)N(C)Cc2cnn(C)c2)c(C)c1Br 2778908 ODKZNFNQQQSFFV-UHFFFAOYSA-N 354.252 2.045 0 40 FEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 101582116 ZJFPRBGVMNPBBS-UJWMZTGESA-N 350.418 2.295 0 40 FEAB Cc1c([C@@H](C)NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cnn1C 47006207 ZLJDDCHYOMZALJ-KBMXLJTQSA-N 350.463 2.159 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1 12322643 SHVVVIHBAXWBBX-UHFFFAOYSA-N 355.329 2.230 0 40 FEAB CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 100625157 KUUDCXGUWLYZPK-BZPMIXESSA-N 352.460 2.078 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cc(=O)[nH]c3ccccc23)ccn1 47234364 JKNRJUUQRILMSY-UHFFFAOYSA-N 359.389 2.347 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(O)c1 24584361 GHPWHLLSTOGBSI-NSHDSACASA-N 352.387 2.145 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1 52747208 FATVQEZGGRSPKG-UHFFFAOYSA-N 358.467 2.284 0 40 FEAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccnc(-n4cccn4)c3)ccc2O1 106227447 YLRVOVNWPPOAAO-CYBMUJFWSA-N 370.434 2.069 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCCCC4)c(=O)c23)C1 1331917 VRYBKBITDBYARK-LBPRGKRZSA-N 360.483 2.380 0 40 FEAB CCCCOc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 56028807 QGKBEQJHQHXPER-UHFFFAOYSA-N 354.472 2.476 0 40 FEAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 56951838 MJRIZQRZRQXXMN-FUHWJXTLSA-N 368.437 2.049 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC 10008889 VFTIUWOLNONUAY-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2s1 58186482 SEASRVOMMHLEBI-OAHLLOKOSA-N 353.447 2.442 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 58163652 DRLJXOJZZIIGSW-ZYHUDNBSSA-N 355.822 2.154 0 40 FEAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@H](C)C3)nc2c1 58305940 GUBJWXWPJFIAJX-IXDOHACOSA-N 356.470 2.357 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc(Cn3cncn3)cc2)cc1 10655062 FRPZHEQPXFTMFU-UHFFFAOYSA-N 351.362 2.470 0 40 FEAB COc1ccc(CCC(=O)Nc2cccc(OCC(N)=O)c2)cc1OC 12809046 FLWXKNRXUYTDSQ-UHFFFAOYSA-N 358.394 2.139 0 40 FEAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1 3566462 PUCDXPVPKKGUEF-UHFFFAOYSA-N 350.444 2.309 0 40 FEAB Cc1nn(CC(=O)Nc2ccc(N3CCCC3)nc2)c(=O)c2ccccc12 12989093 SHUGOWZAIFPCBG-UHFFFAOYSA-N 363.421 2.339 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)c1 13389798 KZVYUHCJERMSTC-LBPRGKRZSA-N 353.421 2.097 0 40 FEAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 8217251 QVWFAMTWSKRZBQ-LBPRGKRZSA-N 360.439 2.375 0 40 FEAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)N1CCc2ccccc21 5278757 BMAXRWZJJSOIRN-AWEZNQCLSA-N 354.406 2.225 0 40 FEAB COc1cc(C(=O)CSc2nc3ncccn3n2)cc(OC)c1OC 14076179 FRSVLYWVYLDSSM-UHFFFAOYSA-N 360.395 2.125 0 40 FEAB CC(=O)Nc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)ccc1O 14018465 SNUVMQZJNLCORG-UHFFFAOYSA-N 374.344 2.473 0 40 FEAB O=c1n(Cc2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccccc1 14245863 HWEVUJVTPVQAEX-UHFFFAOYSA-N 354.757 2.181 0 40 FEAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC1CCC(F)(F)CC1 408018872 AEJZISHPRJGGHB-CYBMUJFWSA-N 367.462 2.068 0 40 FEAB COC(=O)Cc1cc(=O)[nH]c(SCc2cc(Cl)ccc2OC)n1 7030156 MOACMHNVUXKBSV-UHFFFAOYSA-N 354.815 2.440 0 40 FEAB CNC(=O)c1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 15616812 GPYGITODAVQWLW-UHFFFAOYSA-N 351.406 2.354 0 40 FEAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 9869301 IKLZGWHAICRUDC-UHFFFAOYSA-N 372.450 2.119 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1C 96001771 ZOQXAULSWPJBOG-MRXNPFEDSA-N 367.409 2.301 0 40 FEAB C[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 96118577 HREXTEYDXNRFNX-JTQLQIEISA-N 351.345 2.169 0 40 FEAB Cn1cc([C@@H]2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CCO2)cn1 97012648 GFMHEXMWPXAABT-SFHVURJKSA-N 359.451 2.111 0 40 FEAB O=C(NCCn1ccc2ccc(F)cc21)[C@H](c1ccccc1)n1cnnn1 72402539 QIHBUBMBTSBDLX-SFHVURJKSA-N 364.384 2.173 0 40 FEAB Cc1c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11867569 NFRAFQYOBWWQRI-CQSZACIVSA-N 361.394 2.273 0 40 FEAB biogenic CO[C@@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)nc3ncnn3c2C)C1(C)C 75293387 ZWWUZGZXOBJSGJ-BEFAXECRSA-N 359.474 2.336 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1 29708637 PIAUEVPZAMDCFG-UHFFFAOYSA-N 353.422 2.259 0 40 FEAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CC2)c1 408709241 QNQCBIQSRIKGQT-UHFFFAOYSA-N 351.406 2.142 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3c(C)noc3C)CC2)cc1 24952206 ZJVFBQQILQLECY-UHFFFAOYSA-N 363.483 2.496 0 40 FEAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCNC5)ncc4C3)ccc2O1 72390937 YLYWPCUOPDLYTL-ZFWWWQNUSA-N 364.449 2.075 0 40 FEAB COc1ccc(OC)c([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 38541243 OQIIVSXXNYALGJ-CJNGLKHVSA-N 365.474 2.303 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432870 HHBOGWJEQVAYCR-ZOBUZTSGSA-N 366.822 2.343 0 40 FEAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30944327 KRLGCSCAYUSCFJ-QGZVFWFLSA-N 365.905 2.000 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)C1 72241416 ZIZGLTGWHOKZKM-DQYPLSBCSA-N 350.846 2.497 0 40 FEAB Cc1cc(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c(N2CCCCC2)n1 49410943 GVWURCSTWAYVJK-UHFFFAOYSA-N 362.380 2.459 0 40 FEAB O=C(O)c1cc(S(=O)(=O)N[C@@H]2CCCOc3cc(F)ccc32)c[nH]1 567794464 XWZBUDNTPDCLFJ-GFCCVEGCSA-N 354.359 2.044 0 40 FEAB COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157909 TXKPXWXKXICPCF-IBGZPJMESA-N 354.450 2.489 0 40 FEAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(C)cc3ccc(C)nc23)CC1 190201122 NZUFZUYFOBNTLZ-HNNXBMFYSA-N 355.438 2.310 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCn3cnc(COCC4CC4)c3C2)cc1 96085177 SUDBHAKEQPRNGO-UHFFFAOYSA-N 361.467 2.323 0 40 FEAB O=C(COc1ccccc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108844 XPFVGBALAYJERZ-UZLBHIALSA-N 354.406 2.014 0 40 FEAB CNC(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053249 UCKGGQNXYLOKAV-QGZVFWFLSA-N 368.481 2.457 0 40 FEAB CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2ccccc2C)CC1 583298912 JQJQOWKMDNDBTR-HXUWFJFHSA-N 357.498 2.334 0 40 FEAB O=S(=O)(NCC[C@H]1CN(CC2CC2)Cc2ccnn21)c1ccccc1 247331644 PAUULGIRGVHXLH-KRWDZBQOSA-N 360.483 2.018 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccco2)cc1 583621830 YNLYZRHYNHDGKA-NVXWUHKLSA-N 351.424 2.349 0 40 FEAB CCc1nccn1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257221149 DNRRFXZIZJDTLP-IBGZPJMESA-N 357.458 2.358 0 40 FEAB Cc1ccc2nc(CC(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)[nH]c2c1 257212704 CEPKABMWUUYMNT-WRWLIDTKSA-N 367.453 2.190 0 40 FEAB COc1cccc([C@@H]2C[C@](C)(NC(C)=O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c1O 257339342 ZBHKZYCAMXZQNL-YESPVIGUSA-N 361.438 2.453 0 40 FEAB O=C(/C=C/c1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257322003 WEFYQEWYFNURCR-CWDCEQMOSA-N 356.438 2.456 0 40 FEAB Cc1ccc(CNC(=O)N2CCC[C@H](n3ccnn3)C2)c(N2CCCC2)n1 644946155 GHAJKFAUYVWBEV-KRWDZBQOSA-N 369.473 2.128 0 40 FEAB Cc1nnc(CNc2cccc(S(=O)(=O)C3CCOCC3)c2)s1 663283991 WSEGKIDIQCFAIT-UHFFFAOYSA-N 353.469 2.411 0 40 FEAB O=C(N=c1cc[nH]cc1Br)Nc1ccn(C2CCOCC2)n1 666493701 NDAGXLSPKJWTAY-UHFFFAOYSA-N 366.219 2.458 0 40 FEAB COc1ccccc1N1CC[C@@H](CNC(=O)N2CC3(CCCOC3)C2)C1 672810014 LOHPARSEDSCLJZ-INIZCTEOSA-N 359.470 2.344 0 40 FEAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O)c1cccc(F)c1 585262289 BWFJOSMMHXBPPC-BRSBDYLESA-N 363.360 2.026 0 40 FEAB CCn1cc(CN2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 585099825 CZURMTBYVSKEDG-QUCCMNQESA-N 360.502 2.429 0 40 FEAB CCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 5321433 COACGFJRMIQRNP-UHFFFAOYSA-N 356.426 2.134 0 40 FEAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)NC1CCCCC1 5352383 QPKRUUDBDZEGAR-UHFFFAOYSA-N 374.470 2.221 0 40 FEAB Cc1cc(C(C)(C)C)ccc1OC(=O)Cn1cnc2c(cnn2C)c1=O 12818879 SJGBLRSRPLYFOA-UHFFFAOYSA-N 354.410 2.342 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)cc2n1 13225671 NIWVCEJKCTUSSU-CQSZACIVSA-N 354.385 2.441 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 14607418 LFLCPOZBYHTADZ-NVXWUHKLSA-N 358.438 2.210 0 40 FEAB COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19554575 JNQQNMAXKXETQO-LJQANCHMSA-N 366.465 2.427 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c1 19564738 XFHFVXLTIZQFKC-HNNXBMFYSA-N 352.438 2.151 0 40 FEAB COc1ccccc1CCC(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19569815 HTIBKLNODIENIZ-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(Cc1ccc3[nH]ccc3c1)C2 19707844 AZIOSEWNTZNNRO-GOSISDBHSA-N 364.453 2.459 0 40 FEAB CCn1cnc2sc(C(=O)N[C@@H](C)c3cnn(C)c3C)c(C)c2c1=O 19717371 RJYGQMKKFJHGRM-JTQLQIEISA-N 359.455 2.319 0 40 FEAB O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743109 QNOUKVPHXOIUQW-UHFFFAOYSA-N 368.485 2.382 0 40 FEAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCOCC2(CC2)C1 644424567 BMCZGHANUFTHBB-NRFANRHFSA-N 358.482 2.043 0 40 FEAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)cn1 1888897375 URUJJUJFPMJFCB-ROUUACIJSA-N 374.448 2.086 0 40 FEAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](COc2ccc(F)cn2)C1 1889139178 BDNOKBJFMDRVMC-JTQLQIEISA-N 356.341 2.204 0 40 FEAB Cc1noc(C)c1COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 32670101 PWSYMBUBJCSLQD-UHFFFAOYSA-N 372.830 2.357 0 40 FEAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2cccc(OC)c2)no1 1775964239 YKYVSJASAYUNRD-ZDUSSCGKSA-N 359.386 2.083 0 40 FEAB biogenic,in-vitro O=C(Nc1ncc(Br)s1)c1cnc2sccn2c1=O 28223118 NUHIVBSNSADWEZ-UHFFFAOYSA-N 357.214 2.227 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)nc1 2037984516 DANGUDJVVBISRF-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223270 BHYCLXIQXSEVNG-LJQANCHMSA-N 352.442 2.098 0 40 FEAB CC(C)c1ocnc1CN1CCN(c2ccc(-n3cccn3)nn2)CC1 2087143995 TUWVLXYLWWEUSL-UHFFFAOYSA-N 353.430 2.096 0 40 FEAB O=C(N1CCO[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1)C1(F)CC1 1565542867 ZDKBVUMCKKLHKU-HNNXBMFYSA-N 367.384 2.193 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccn1 5242144 KKEBNRKDCWPSCG-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1nccs1 12445131 FRRRWRFHYBZOMY-UHFFFAOYSA-N 374.466 2.099 0 40 FEAB CCCc1cc(O)nc(-n2nc(C)cc2NC(=O)c2snnc2C)n1 38741178 ZHLAESRQOPPWNA-UHFFFAOYSA-N 359.415 2.041 0 40 FEAB O=C(NC[C@@H]1CCCO1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 225550172 IHRFJIFSYSAIJH-LBPRGKRZSA-N 373.862 2.180 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](C)(O)Cc1ccco1 206619382 YOHIFGKCCMSMOJ-QGZVFWFLSA-N 353.440 2.177 0 40 FEAB COc1ccc(C[C@@](C)(O)CNC(=O)NCCOc2ccccc2)cc1 75170268 WXEOVAGTJIGAQR-HXUWFJFHSA-N 358.438 2.367 0 40 FEAB CCN(CCNC(=O)c1sccc1-n1cnnn1)c1cccc(C)c1 40093137 SDVPLIJMKJMGTC-UHFFFAOYSA-N 356.455 2.289 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 40161422 XMQSCAGQNHTEKI-HZPDHXFCSA-N 355.390 2.062 0 40 FEAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N(C)C 40161400 UVSPNZBRIWARQH-INIZCTEOSA-N 352.431 2.416 0 40 FEAB COCCn1nc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1=O 30682334 MXHDYCPZXZJUMG-IVKJLDKCSA-N 359.470 2.224 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1Cc1ccccc1 30763086 ZMNOLVCYKLHXHG-MRXNPFEDSA-N 355.438 2.085 0 40 FEAB CCN1CCc2nc(NC(=O)c3ccc4c(c3)OCC(=O)N4)sc2C1 21296755 JWBKKJADBHQDFM-UHFFFAOYSA-N 358.423 2.104 0 40 FEAB O=C1c2ccccc2C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 53173711 WSDSZDLXVSONQT-UHFFFAOYSA-N 353.397 2.244 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 9447425 SWDBQYAGYOUCHJ-JXMROGBWSA-N 353.802 2.356 0 40 FEAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CC1 23350411 CEGRXNVZFFJJJT-UHFFFAOYSA-N 365.846 2.025 0 40 FEAB CN(C)CCCN(Cc1ccc2c(c1)n(C)c(=O)n2C)Cc1ccco1 57810896 JRDCELQEKOUUGK-UHFFFAOYSA-N 356.470 2.424 0 40 FEAB CC(N[C@@H](c1ccc(C)cc1)c1cccs1)=C1C(=O)NC(=O)NC1=O 23762910 PBKXBAPBSUMFKL-HNNXBMFYSA-N 355.419 2.376 0 40 FEAB COc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1OC 12389803 NIXOAAQXYLMCBY-AWEZNQCLSA-N 369.377 2.217 0 40 FEAB COc1ccc(C[S@@](=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1 1398119 GMCRRMNJZHPHJJ-QFIPXVFZSA-N 353.465 2.418 0 40 FEAB CN1C(=O)C(=C(NCc2ccccc2)Nc2ccccc2)C(=O)N(C)C1=O 1407609 XJGRLCYLHJDDTG-UHFFFAOYSA-N 364.405 2.150 0 40 FEAB O=C1CCC2(CCN(C(=O)c3ccno3)CC2)CN1Cc1cccnc1 108526458 WCGBASOGZRAPJZ-UHFFFAOYSA-N 354.410 2.115 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 12525253 GMDURYZVVAZNRA-LBPRGKRZSA-N 368.393 2.196 0 40 FEAB CCn1ccc2cc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc21 58218499 WQSVVWPOEWDGJS-UHFFFAOYSA-N 370.434 2.097 0 40 FEAB Cc1cc(OCC(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 2129435 MRKPIEDYLQYHHC-SFHVURJKSA-N 373.405 2.194 0 40 FEAB biogenic CC(C)OCCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58380716 FXUYYQJGIBSATL-IBGZPJMESA-N 374.529 2.257 0 40 FEAB Cc1[nH]c(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)c1C(=O)OC(C)C 58423274 RAKHWRGUFMOXDH-LBPRGKRZSA-N 351.447 2.230 0 40 FEAB Cc1ccc(SCCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 58427286 AQBDVURJEHJAAC-UHFFFAOYSA-N 356.513 2.017 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 10706354 MCTJPICZWDDFKX-UHFFFAOYSA-N 368.458 2.487 0 40 FEAB CCCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 12779776 PQZJIBDAQDEGJB-SFHVURJKSA-N 358.463 2.328 0 40 FEAB O=C(Nc1ncccc1O)c1ccc(C(=O)Nc2ncccc2O)cc1 12736070 GMYZMRMTWVVZSM-UHFFFAOYSA-N 350.334 2.392 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2NC1=O 12921742 BHRAMUAMMAYYGK-NWDGAFQWSA-N 357.410 2.136 0 40 FEAB CCCCS(=O)(=O)N1CCC(C(=O)N(CC)c2cccnc2)CC1 68303263 XHEVUNVKLMDPQP-UHFFFAOYSA-N 353.488 2.276 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1nnc2ccccn12 18124344 AGBYSHDEZRKLJB-UHFFFAOYSA-N 374.404 2.031 0 40 FEAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N[C@@H]1CCS(=O)(=O)C1 69617133 JOFQWEAMLROWCU-LLVKDONJSA-N 351.453 2.482 0 40 FEAB CCOc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccccc3)N2)cc1 13692848 ZTYBLSCSKAWYJQ-MRXNPFEDSA-N 352.394 2.380 0 40 FEAB CC(C)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4370687 NBDQJVZCFGWTLC-UHFFFAOYSA-N 351.410 2.009 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14139203 YAVFRBULQAQVJV-LJQANCHMSA-N 361.417 2.241 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1C 5474794 XIJMOADYEFBBGN-UHFFFAOYSA-N 360.443 2.465 0 40 FEAB Cn1c(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc21 14528616 PFCMJAVJIVYBJK-CYBMUJFWSA-N 352.369 2.455 0 40 FEAB O=C(CNC(=O)c1ccccc1F)OCc1ccc(-n2cccn2)cc1 14677184 HTMVSALTBQUISI-UHFFFAOYSA-N 353.353 2.485 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC[C@H](C)C2)C1=O 5797808 RGIPEQUGHAEXDM-VBKZILBWSA-N 373.453 2.111 0 40 FEAB Cc1ccccc1-n1ccn(CC(=O)Nc2cc(F)ccc2F)c(=O)c1=O 67320655 VCMJWIMKMXDBLN-UHFFFAOYSA-N 371.343 2.225 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 7505434 TYENAVVYJGVJLU-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB C[C@@H](CN1CCN(C)CC1)OC(=O)COc1ccc(Br)cc1 19367818 FIPQYVPSHGCNDX-ZDUSSCGKSA-N 371.275 2.007 0 40 FEAB CCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(CNC(C)=O)cc2)C1=O 8188015 ARBSXVIYCWGYJO-IBGZPJMESA-N 359.426 2.006 0 40 FEAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(-c2nc[nH]n2)cc1 95957460 INQYGKHCFQDAQL-UHFFFAOYSA-N 355.785 2.494 0 40 FEAB CCCS(=O)(=O)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 306144750 ZNQIDQFCHAQTDH-LJQANCHMSA-N 372.494 2.180 0 40 FEAB Cc1[nH]nc2ccc(C(=O)N3CCO[C@H](c4noc(C5CC5)n4)C3)cc12 1553863651 AVANJWCTSKFLRY-HNNXBMFYSA-N 353.382 2.345 0 40 FEAB O=C(Cc1cccc(O)c1)NC[C@H](c1cccc(F)c1)N1CCOCC1 60359043 JAWNVEHDASOJAN-LJQANCHMSA-N 358.413 2.264 0 40 FEAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(CC(=O)N(C)C)C1 72358874 YADMRZRASCOYOI-OAHLLOKOSA-N 354.454 2.420 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)N1CCc3ccccc31)C[C@H]2O 30588463 HZQQCTLTMBJJMC-QGZVFWFLSA-N 368.433 2.142 0 40 FEAB CCCNC(=O)NC(=O)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 32911842 XDSTWQOGHSPQBY-DZGCQCFKSA-N 374.268 2.119 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1 33765199 JGRUFADOTJLHQB-UHFFFAOYSA-N 369.421 2.396 0 40 FEAB Cn1nc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)ccc1=O 574195132 IGHMXIBISOTZDL-UHFFFAOYSA-N 358.467 2.135 0 40 FEAB CN(C)C(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(c1ccccn1)C2 96056122 KVEIMEWFWRLPCC-RXVVDRJESA-N 368.481 2.481 0 40 FEAB COc1c(C(=O)Nc2cc(C)nn2C)nnn1Cc1ccccc1Cl 96183545 SFMZHIDMDIQUEP-UHFFFAOYSA-N 360.805 2.283 0 40 FEAB COC[C@H]1COCCC12CCN(C(=O)COc1ccc(F)cc1)CC2 96106373 OSMSIZJKAXOPHW-HNNXBMFYSA-N 351.418 2.496 0 40 FEAB O=C(O)CN(C(=O)c1ccc(F)c(COCC2CC2)c1)C1CCOCC1 583650569 KSVHFYHEQPAEKB-UHFFFAOYSA-N 365.401 2.458 0 40 FEAB O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1 96076319 FGMZZPNUGDABGZ-FQEVSTJZSA-N 358.486 2.252 0 40 FEAB Cc1occc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 96057555 QRHOGZOKTOJBBI-BRWVUGGUSA-N 358.394 2.260 0 40 FEAB Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 96040179 DYNHYPXGSFAQGI-VQTJNVASSA-N 356.470 2.403 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 247727366 DQROWJTXDPESBI-KRWDZBQOSA-N 372.396 2.439 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(S)s2)cc1 256055448 HFYDUIZJGDKUAG-UHFFFAOYSA-N 372.497 2.110 0 40 FEAB CNC(=O)c1cnn2c([C@H]3CCCN(Cc4scnc4C)C3)ccnc12 257250563 JNAGDUHYAHBLIU-ZDUSSCGKSA-N 370.482 2.233 0 40 FEAB Cc1ncsc1CN1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257244854 INBOVTAGYXITCV-ZDUSSCGKSA-N 370.482 2.186 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2noc(C)c2COC)C1 257200299 ACULVQFEGHXIIY-CYBMUJFWSA-N 359.430 2.056 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)CCCn2ccnc2)n1 257264323 LTWZBPVGWUPRHF-QGZVFWFLSA-N 356.474 2.187 0 40 FEAB O=C(Cc1ccccc1)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O 85467700 YOZRQWAXGQOMSJ-SFHVURJKSA-N 355.413 2.121 0 40 FEAB CCN(CC(=O)O)C1CCN(c2nccn3nc(C4CCC4)cc23)CC1 634964391 WSSTVLPMXXUQSW-UHFFFAOYSA-N 357.458 2.372 0 40 FEAB Cc1ccc(N2CCC[C@@H](NC(=O)c3ccn4cc(C)nc4c3)C2)nn1 635580812 MKWFBBVKRFKCRZ-MRXNPFEDSA-N 350.426 2.140 0 40 FEAB COc1cc(C)c(S(=O)(=O)N[C@]2(C)CCO[C@@H]2C2CC2)cc1OC 680109161 VDIGGGMCBXNJEK-IAGOWNOFSA-N 355.456 2.248 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CCc4nccn4C3)[nH]nc21 682501457 CDPHSQYYXFVDEZ-ZDUSSCGKSA-N 361.409 2.361 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1 617279953 QKMIZTHNDBGADN-NSHDSACASA-N 368.842 2.029 0 40 FEAB COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cn2)C1 630290016 GUDZSEARUAOVFL-AWEZNQCLSA-N 356.378 2.472 0 40 FEAB C[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 94992903 SRTDBAOXXADUJC-AWEZNQCLSA-N 372.856 2.202 0 40 FEAB COc1ccc(-c2ccnc(N[C@H]3CCN(C4CCOCC4)C3=O)n2)cc1 649290937 CTZRBXVAEFHSHC-SFHVURJKSA-N 368.437 2.344 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CCO3)C2)cc1 575403214 GNXXCLIFJLBPRY-MRXNPFEDSA-N 351.468 2.344 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1COc1cccnc1 585098174 VPLNTNCDZANHCU-HNNXBMFYSA-N 353.382 2.068 0 40 FEAB Cc1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(C)n1C1CC1 58551660 BBRTUDNTRCIGOF-UHFFFAOYSA-N 374.466 2.258 0 40 FEAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 5272669 UYPKZOVNSFIOPY-CYBMUJFWSA-N 358.419 2.099 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)on2)CC1 11595201 IAVUKXJHIKCWOI-UHFFFAOYSA-N 364.423 2.056 0 40 FEAB CCCc1nn2c(=O)cc(COC(=O)c3cccc(OC)c3)nc2s1 15734273 IGVAOHGLECJUSF-UHFFFAOYSA-N 359.407 2.469 0 40 FEAB CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccnn1C(F)F 19582590 ZAXLKTHTLCSJQP-UHFFFAOYSA-N 366.368 2.211 0 40 FEAB Cc1nc2nc(-c3ccc(NC(=O)CCn4cncn4)cc3)cn2nc1C 19657336 SPYAYOXDSZGOQB-UHFFFAOYSA-N 362.397 2.028 0 40 FEAB c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 19711028 MBMNVZVPRWYEKX-GOSISDBHSA-N 366.513 2.361 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169299166 OOFARBRHWMUVAB-OGWHTMIXSA-N 354.450 2.290 0 40 FEAB CC1(C)CCCN(c2ccnc(N3CCC(CS(C)(=O)=O)CC3)n2)C1 656190995 ZJGIYINVSOSQQG-UHFFFAOYSA-N 366.531 2.364 0 40 FEAB CN1C(=O)N[C@H](c2cccs2)C2=C1CN(CCN1CCCCC1)C2=O 35590355 GMDQSFDBQYORKK-MRXNPFEDSA-N 360.483 2.026 0 40 FEAB Cc1nc(N2CCN(c3ncnc4c3CCCC4)CC2)c2ccncc2n1 1888879435 UINYUSFJOCKZEZ-UHFFFAOYSA-N 361.453 2.329 0 40 FEAB Cc1cc2c(cc1CN1CC[C@@]3(COCC(=O)N(C(C)C)C3)C1)OCO2 2037983648 BGFLMDQSYDVEOX-HXUWFJFHSA-N 360.454 2.183 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)CCc3ccncc3)CCO2)C1=O 2037985524 MQXKEVAAGXSCDH-FQEVSTJZSA-N 359.470 2.033 0 40 FEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cnc(Cl)cc1Cl)C2 1614936637 BGEOUQIWVSAJBN-MEDUHNTESA-N 358.269 2.429 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCCc1ccccc1 2890863 MTHGIVARXAMDRV-UHFFFAOYSA-N 370.833 2.116 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3OC)CC2=O)cc1 5191030 INLUGFSLVUMOAS-HNNXBMFYSA-N 369.421 2.309 0 40 FEAB COc1ccc(/C=C\C(=O)OCn2nnc3ccccc3c2=O)cc1OC 16959615 AYSIBKIYQQANTE-NTMALXAHSA-N 367.361 2.023 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccc(F)c(F)c1)C2 2055814237 VNFIZBQNONJTCH-HXUWFJFHSA-N 372.419 2.283 0 40 FEAB CN(C1CCN(c2ncnc3ccc(F)cc23)CC1)S(=O)(=O)C1CC1 2086889546 RIIGYTAHRSKZAH-UHFFFAOYSA-N 364.446 2.162 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679716 SDPLXOOYOPPMSC-ZIAGYGMSSA-N 365.455 2.347 0 40 FEAB O=C(NCC[C@H](CCO)c1cccs1)C(=O)NCc1cccs1 575607382 LDTQELXIQGCXJU-GFCCVEGCSA-N 352.481 2.098 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 40088725 VMNGCHFMIRLASN-PXAZEXFGSA-N 351.406 2.310 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 40093905 RDVOACBZGYRNOL-ZETCQYMHSA-N 358.313 2.103 0 40 FEAB COc1ccc(-c2nc(CC(=O)NCc3nnc4n3CCC4)cs2)cc1 30997860 DGYNPYVDLOGANS-UHFFFAOYSA-N 369.450 2.215 0 40 FEAB CC(=O)[C@@H](NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C(C)C 31637688 SWMXPNNRWULUIV-AWEZNQCLSA-N 370.236 2.433 0 40 FEAB NC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2 1454207 PJEFOFNYBCPYQY-ZDUSSCGKSA-N 370.430 2.446 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 6416055 WCIGUZSSPWUMOZ-GFCCVEGCSA-N 352.843 2.323 0 40 FEAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)cc1 6679571 NUWDLQQLFCGXFB-UHFFFAOYSA-N 368.480 2.245 0 40 FEAB O=C(NC[C@@H](O)c1cccc(Cl)c1)[C@H]1CCCN(c2cnccn2)C1 46689710 VXYYOMJRISSZNG-GOEBONIOSA-N 360.845 2.196 0 40 FEAB COc1cc(C(=O)Oc2ccccc2)ccc1OCC(=O)N1CCOCC1 7657805 JLGIHOJEIGLDGG-UHFFFAOYSA-N 371.389 2.152 0 40 FEAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108526872 QYAPCOUYYNVTNM-MRXNPFEDSA-N 370.490 2.197 0 40 FEAB Cc1cccc(CN2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 102843293 HPBSPOJSBVHGDO-OALUTQOASA-N 353.466 2.021 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 8476026 ITOIAHJRORLJPM-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB CSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1 8615338 OOYRDBYHTIMSRB-UHFFFAOYSA-N 370.261 2.361 0 40 FEAB O=C([C@@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F)C(F)(F)F 8941504 KLEHINJTODMJFT-LAEOZQHASA-N 372.290 2.204 0 40 FEAB C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC[C@@H](C)C1 58162154 YVFIXMDIGIYEDR-CABCVRRESA-N 372.444 2.222 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCC3)C2=O 23040834 LOWWEYRRJQNGCY-BMLIUANNSA-N 362.455 2.071 0 40 FEAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2)C1=O 104669955 DDORCRDFKWIPOF-RZLSGREXSA-N 369.421 2.241 0 40 FEAB CCn1cc(CCC(=O)N[C@@H](C)c2cc(O)n3nc(C)cc3n2)c(C)n1 100217856 WHZFYTMXTPKZSA-ZDUSSCGKSA-N 356.430 2.078 0 40 FEAB O=C(OCc1nc(-c2cccs2)no1)c1n[nH]c(=O)c2ccccc12 105203319 JOUOPPOXESONQO-UHFFFAOYSA-N 354.347 2.392 0 40 FEAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCCC1 24992570 JAMQANIDWCURSC-OLZOCXBDSA-N 364.829 2.247 0 40 FEAB CCOC(=O)c1ccc([C@@H]2N=c3ccc(N)c(Br)c3=N2)cc1 103533794 PHIMUVIRYFMBPA-OAHLLOKOSA-N 360.211 2.160 0 40 FEAB CC(C)NC(=O)CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 22765057 XNFNXEYTVDUYSF-UHFFFAOYSA-N 360.435 2.441 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)c1 100217105 DLZOVZYWCZOUAY-XGHQBKJUSA-N 364.401 2.399 0 40 FEAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)NCc1ccc2c(c1)OCO2 3326419 IQYQLGIDWWRINL-LBPRGKRZSA-N 356.378 2.303 0 40 FEAB COc1ccc(C(=O)NC2CCN(C(C)=O)CC2)cc1Br 37977339 CPWICGXVWWUJAJ-UHFFFAOYSA-N 355.232 2.198 0 40 FEAB Cc1cnc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cn1 48358747 IMMHWZBPWWCOTM-HZPDHXFCSA-N 354.454 2.324 0 40 FEAB COC(=O)Cc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 12937278 BKZUZCIUAGTPTJ-CYBMUJFWSA-N 371.389 2.215 0 40 FEAB O=C1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)n2c(nc3ccccc32)N1 49543747 JIGIJDIBZWWDQW-AWEZNQCLSA-N 350.334 2.257 0 40 FEAB biogenic COc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1 408552666 MUAPSXFXKOLWKG-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncccn1 8485281 HYOQPOFGARBKJE-UHFFFAOYSA-N 350.831 2.319 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13683492 OOPFFGMKWWRUMS-XJKSGUPXSA-N 355.438 2.416 0 40 FEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 14817769 KORHWFBRBBBPOB-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB Cc1cccc(-n2c(O)nc3nc(NC[C@@H]4CCCO4)ncc3c2=O)c1C 67263652 JYEVHWMPRRTBAR-ZDUSSCGKSA-N 367.409 2.089 0 40 FEAB COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cn1 7136436 HPCHDFBZJVEQRY-UHFFFAOYSA-N 369.830 2.148 0 40 FEAB O=C(O)COc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 8906891 QQXROBJDSMCBSD-UHFFFAOYSA-N 368.345 2.056 0 40 FEAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c(C)c1 71327500 CZYDUMDNLRLGRU-UHFFFAOYSA-N 354.435 2.458 0 40 FEAB COc1cccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 16600692 HFZCWASLFLEDOL-ZDUSSCGKSA-N 374.462 2.336 0 40 FEAB COc1ccccc1[C@@H]1CCCN1CC(=O)NC(=O)NCC(F)(F)F 69085745 GTVVLNNJGKELHB-LBPRGKRZSA-N 359.348 2.220 0 40 FEAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(OC)c1OC 9310706 BBZYURHWQPEZMB-GDNBJRDFSA-N 368.414 2.483 0 40 FEAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1-c1ccc(Cl)cc1 9312922 IFOXOECAWNSTQX-MRXNPFEDSA-N 369.808 2.120 0 40 FEAB Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 9364522 QXQPCBMKUIXWCT-UHFFFAOYSA-N 351.406 2.288 0 40 FEAB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1cccs1 19928898 CWLHQVXXRAWBOD-UHFFFAOYSA-N 373.478 2.453 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c1ccc2ccccc2c1 84600532 BDAWISKNZYJLQH-HUUCEWRRSA-N 360.479 2.470 0 40 FEAB COC[C@H](O)CN(C)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 95443834 DOHLSMXZNWYLIW-MRXNPFEDSA-N 371.499 2.274 0 40 FEAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1 79496121 APMMTILMKAFGJW-SNVBAGLBSA-N 360.277 2.321 0 40 FEAB CN(Cc1ncon1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 95465569 JRVZCVRWUFQZNA-UHFFFAOYSA-N 366.356 2.457 0 40 FEAB COc1ccc([C@H](NC(=O)CNC2(C(N)=O)CCCCC2)C2CC2)cc1 88545176 MKWBHICEXQUDQK-GOSISDBHSA-N 359.470 2.040 0 40 FEAB O=C(c1ccc2c(c1)COC2)N1CC2(C1)OCC[C@H]2COc1cccnc1 306142621 XERDPRIQIBOWHJ-SFHVURJKSA-N 366.417 2.422 0 40 FEAB COc1c(C)cc(C)cc1S(=O)(=O)N[C@@H](C(=O)O)c1cccs1 554703323 FQUCCMCAGXKLQF-CYBMUJFWSA-N 355.437 2.478 0 40 FEAB CC(=O)NCCNC(=O)c1nc(-c2ccn(CC3CC3)c2)n2ccccc12 306137581 RALCKGNEDUDSNE-UHFFFAOYSA-N 365.437 2.079 0 40 FEAB Brc1cc(Cn2nnnc2-c2ccccn2)cc2c1OCO2 553364070 CLHHZPDEVIKYDA-UHFFFAOYSA-N 360.171 2.275 0 40 FEAB O=C(C[C@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395691 KIZQGALGNLQHDN-HZSPNIEDSA-N 369.416 2.076 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)[C@H](C(=O)O)C1 566689502 PSPPEHHTZCCDKK-CJNGLKHVSA-N 361.373 2.024 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 43849296 QUAQHIKRWFEWNI-UHFFFAOYSA-N 373.384 2.392 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ncccn3)CC2)cc1 44091209 FRIFGTGVYKYCNZ-UHFFFAOYSA-N 356.451 2.120 0 40 FEAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)cc1 224862621 JEAZOWGPGFWRTI-UHFFFAOYSA-N 371.361 2.342 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(F)c1 192585089 JAQIAHHLQQRLSQ-HNNXBMFYSA-N 370.490 2.448 0 40 FEAB COc1c(C(=O)Nc2c(C)nn(C)c2C)nnn1Cc1ccc(C)cc1 96184028 ZEFKEDFUFHWSCK-UHFFFAOYSA-N 354.414 2.246 0 40 FEAB CC(=O)N1CC2(CCN(Cc3ccc(F)cc3)CC2)[C@]2(CCN(C)C2=O)C1 96036396 LGRFKNDDGIYDIN-OAQYLSRUSA-N 373.472 2.119 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4ccoc4)CC3)OCC2=O)n1 96062175 SQLWXIDGMUHSDA-UHFFFAOYSA-N 355.438 2.377 0 40 FEAB CC(C)(C)c1cccc(OCCNC(=O)C2CCS(=O)(=O)CC2)c1 330761207 MOHHFHCEAFYYJA-UHFFFAOYSA-N 353.484 2.304 0 40 FEAB O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96207766 GPLCIWYBUYXOCT-BZUAXINKSA-N 354.410 2.062 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1F 583616292 MIFKRGSXMUTRDD-CKEIUWERSA-N 357.447 2.075 0 40 FEAB COc1cccc(CN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)c1F 583617584 DPKZXXINPKOBHR-KGLIPLIRSA-N 357.389 2.234 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)CN3CCCC3)CC2)C1 257255958 KJOHGBJPMDKVAV-IBGZPJMESA-N 357.498 2.369 0 40 FEAB C[C@@]1(c2ncc(CNC(=O)c3ccc4[nH]nnc4c3)cn2)CCCCO1 257279419 OGMRIOMGINSSFH-SFHVURJKSA-N 352.398 2.094 0 40 FEAB c1cnc(Nc2cc(CC3CCN(Cc4ncc[nH]4)CC3)ncn2)cn1 257238169 HJWCSMIZYTWKPL-UHFFFAOYSA-N 350.430 2.188 0 40 FEAB O=C(C(=O)N1CCC(Oc2cnccn2)CC1)c1c[nH]c2ccccc12 85471864 CXVJZNRNQIVDFS-UHFFFAOYSA-N 350.378 2.211 0 40 FEAB Cc1cnccc1OC1CCN(c2nccc(N[C@@H]3CCCOC3)n2)CC1 372945723 MIDWGQXOMKOQNE-MRXNPFEDSA-N 369.469 2.819 0 40 FEAB C[C@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1-n1ccnn1 666220805 YPABAVRVVKDXNE-YZVOILCLSA-N 352.442 2.429 0 40 FEAB C[C@@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)c1ccc(F)c(Cl)c1 671094363 HHYLBBVYPLNRPE-SKDRFNHKSA-N 364.808 2.053 0 40 FEAB COC[C@]1(C(=O)O)CCN(C(=O)NCCc2c(C)oc3ccccc23)C1 635514686 LABJXLZGQPMRAP-IBGZPJMESA-N 360.410 2.416 0 40 FEAB Cc1noc(COC2CN(C(=O)[C@@H](C)Oc3ccccc3Cl)C2)n1 644211081 ZJFDSXCNQPKHIM-SNVBAGLBSA-N 351.790 2.226 0 40 FEAB CC(=O)N1CC(OCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)C1 585088716 INJJSYYOEXIMMQ-UHFFFAOYSA-N 364.405 2.416 0 40 FEAB C[C@@H]1c2nc(CC(=O)N(C)C)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096320 IEPHNGAGPMZXIA-CYBMUJFWSA-N 365.437 2.212 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1 585098175 VPLNTNCDZANHCU-OAHLLOKOSA-N 353.382 2.068 0 40 FEAB O=c1c(=O)n(Cc2nc(-c3cccs3)no2)ccn1Cc1ccccc1 1775968363 CUOXJYLAERQQHF-UHFFFAOYSA-N 366.402 2.218 0 40 FEAB COc1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1 5221557 NGGHLSHQUUPRBW-CQSZACIVSA-N 370.405 2.248 0 40 FEAB O=S1(=O)C[C@@H]2[C@@H](C1)N(Cc1ccccc1)C(=S)N2Cc1ccccc1 5376440 ZTEPBBMFOCBWCT-QZTJIDSGSA-N 372.515 2.455 0 40 FEAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)NC4CCCC4)nc3c12 12182063 DCJFPAKYHATVOB-UHFFFAOYSA-N 359.455 2.035 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)c1 12365052 UYVNCTMHLLJPJW-AWEZNQCLSA-N 351.410 2.310 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 13074356 MHANLYRHBZESPR-UHFFFAOYSA-N 364.398 2.035 0 40 FEAB Cc1cc(S(=O)(=O)NC(C)C)c(C)n1S(=O)(=O)c1ccccc1 13585845 JMHFQOKXGNZYAY-UHFFFAOYSA-N 356.469 2.029 0 40 FEAB Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)n1 14169119 PXLZMSXZRLZPPB-UHFFFAOYSA-N 365.889 2.426 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 16023254 QMEBJVWDSPSCDW-MRXNPFEDSA-N 352.390 2.080 0 40 FEAB Cc1csc2ncc(C(=O)N3CCC(Oc4cccnc4)CC3)c(=O)n12 19240348 TULNXSLBRSEZMB-UHFFFAOYSA-N 370.434 2.143 0 40 FEAB CCN1CCN([C@@H](c2ccc(C)cc2)c2nnnn2Cc2ccco2)CC1 19527994 IGADOZVKFOWJGL-IBGZPJMESA-N 366.469 2.350 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 169678507 JDDJRVAFESPPHC-IGOIZDSHSA-N 364.445 2.076 0 40 FEAB CCCn1nc(C(=O)NCc2ccnc(OC)c2)c2ccccc2c1=O 29195914 RAVYHXYNAWCGOU-UHFFFAOYSA-N 352.394 2.140 0 40 FEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H](CF)C1 881591329 MSWWVVLTGSYVJT-AWEZNQCLSA-N 354.447 2.293 0 40 FEAB Cc1oncc1CN1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 238903595 RRQBCMCKMKUCHK-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB CCn1cc(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 2037978228 JOCCHLYXKUNZJU-HXUWFJFHSA-N 372.444 2.358 0 40 FEAB COc1ccc(CN2C(=O)CCC23CCN(C(=O)[C@H]2CCOC2)CC3)cc1 1565555709 FZSOZRUBUMZBLE-KRWDZBQOSA-N 372.465 2.215 0 40 FEAB COc1ccc(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1F 1565553965 NGOAPSDDTFZAOB-UHFFFAOYSA-N 370.428 2.369 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]32)CC1 1565551949 MMMRJUBKWYGHKD-SJLPKXTDSA-N 371.529 2.151 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(c3ccc(C)nn3)CC2)c1 2055771810 AFFUZXIZMFLYFC-UHFFFAOYSA-N 369.469 2.333 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](COc2ccncc2)C1 1775971505 QPLZTIRKHTXGOU-HNNXBMFYSA-N 367.405 2.307 0 40 FEAB CCn1cnc2c(N3CCN(Cc4cc(C5CC5)on4)CC3)ncnc21 2086865405 UZRKJTLXCDTONC-UHFFFAOYSA-N 353.430 2.034 0 40 FEAB CN(C)c1ccnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298187886 AMEOLEKXQFCGLC-CYBMUJFWSA-N 353.417 2.017 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792220 WZROAVJRYMOFBV-MRXNPFEDSA-N 366.465 2.472 0 40 FEAB C[C@@H](SCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 40067154 IZEULBUJALJHJT-CYBMUJFWSA-N 358.467 2.318 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3C[C@H]4CC=CC[C@H]4C3)C2=O)cc1 100225813 FTJJJXLDIWIXET-UXLLHSPISA-N 354.406 2.003 0 40 FEAB O=c1c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)nc2n1CCS2 20623243 RGEDCDYRNXHDGN-AWEZNQCLSA-N 374.853 2.424 0 40 FEAB biogenic CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)[C@@H]3CCOc4ccccc43)CC1)C2 101793974 IDNNVAFFPLKLPB-ABSDTBQOSA-N 369.509 2.322 0 40 FEAB CCOc1ccc2c(c1)c1nnc(SCC(=O)NC3CC3)nc1n2C 1366321 LNZSSBZCSFDTEH-UHFFFAOYSA-N 357.439 2.286 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4133513 HALHLKNTMDWZAM-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB Cc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)ccc1F 32865081 LWICGTMEHAPFTJ-FQEVSTJZSA-N 369.396 2.218 0 40 FEAB CCOC(=O)C1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 4966630 WQTNGGHQNGZASA-UHFFFAOYSA-N 366.425 2.049 0 40 FEAB Cc1cc(C)cc(OCc2noc(CN(C)C3(C(N)=O)CCCC3)n2)c1 93212673 OZYFMMZNNXQWIG-UHFFFAOYSA-N 358.442 2.495 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCCCN3CCC[C@@H](C)C3)CC2=O)c1 32931220 YEDRDEYZDJTZDM-IAGOWNOFSA-N 373.497 2.286 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8041468 JEQYIZIKLSGKBK-UHFFFAOYSA-N 368.405 2.389 0 40 FEAB Cc1ccncc1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108532900 KOIJNFMFVKKXBL-MRXNPFEDSA-N 367.453 2.446 0 40 FEAB CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22409577 WPLYADWIBVJBMO-UHFFFAOYSA-N 368.480 2.432 0 40 FEAB Cc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c2c(C)noc2n1 22701965 ATJYXNGLBTXZDO-UHFFFAOYSA-N 373.438 2.381 0 40 FEAB O=C(NCc1ccccc1-n1cccn1)N1CCC(N2CCCC2=O)CC1 105201239 GYETVUQERZQPDU-UHFFFAOYSA-N 367.453 2.169 0 40 FEAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1 23977141 BCHOPDDSWPFOFC-OAHLLOKOSA-N 370.471 2.239 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)s1 25768442 IPSYQYGSJJFZES-UHFFFAOYSA-N 356.444 2.310 0 40 FEAB COc1ccc(OCC(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 12645080 TVXSVUMMVVPXTL-UHFFFAOYSA-N 370.434 2.246 0 40 FEAB CN(C)[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 58307853 QXSICNFVDCBQAD-NRFANRHFSA-N 367.493 2.438 0 40 FEAB c1ccc(-n2nnnc2N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 11010815 JMRUOTNQYDMVNN-OAHLLOKOSA-N 364.457 2.364 0 40 FEAB O=C(CCN1CCC[C@H]1c1ccsc1)N1CCN(c2ncccn2)CC1 48288326 HFDRNEDFKZYGPF-KRWDZBQOSA-N 371.510 2.414 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnn(-c2ccccc2Cl)c1=O 11100933 JOTNAZXIHLZZKD-GFCCVEGCSA-N 369.812 2.060 0 40 FEAB Cc1cc(COC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)no1 36648440 BPGCGPQCIZEZDV-JTQLQIEISA-N 350.396 2.051 0 40 FEAB COC(=O)C1=C2C(=O)Nc3ccccc3N2C(=O)N[C@H]1c1ccccc1F 48252201 LXDQEVUHQLKZLN-HNNXBMFYSA-N 367.336 2.476 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832319 MCDPGRCGVHSCPX-QMTHXVAHSA-N 360.863 2.172 0 40 FEAB CN(C(=O)CN1CCO[C@@H](c2ccc(Br)cc2)C1)C1CC1 63581201 OYVSQMDYFNQWAP-OAHLLOKOSA-N 353.260 2.443 0 40 FEAB COc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1 39406617 YLXFKXYWTUXQLN-QGZVFWFLSA-N 356.422 2.280 0 40 FEAB Cc1cccc2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cn12 14084905 FYMVQAJHNYKGAF-UHFFFAOYSA-N 358.423 2.145 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)cc1 5484085 XHNFTJMOUHZMKW-CQSZACIVSA-N 353.382 2.182 0 40 FEAB COc1cc(C[C@H](C(=O)Nc2cccc(C)c2)c2nn[nH]n2)ccc1O 5519861 LHRZKLMPEZRZOB-AWEZNQCLSA-N 353.382 2.187 0 40 FEAB CCOc1cc2c(cc1NC(=O)c1nc3nccc(C)n3n1)O[C@@H](C)C2 18238270 QACOSUKMBJIGPV-NSHDSACASA-N 353.382 2.407 0 40 FEAB Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(Br)cn2)n1 4734983 WKCPCRONYCANHF-UHFFFAOYSA-N 373.594 2.027 0 40 FEAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3)c2N)cc1 4971828 FTTXTWHGIXGYFB-UHFFFAOYSA-N 364.409 2.368 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 23428977 UBLOTQLOBHMJRM-JKSUJKDBSA-N 350.484 2.394 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 7526798 YLYKCDUSKMQOFO-SFHVURJKSA-N 356.430 2.174 0 40 FEAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)Cc3ccccc3C)C2=O)c1 8395632 FBRGHLMBSUIPDZ-HXUWFJFHSA-N 367.405 2.045 0 40 FEAB Cc1ccccc1C[C@@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 97165387 OBCYTPNJBXOUAJ-QGZVFWFLSA-N 373.522 2.396 0 40 FEAB CC1(C)CN(S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC[S@@]1=O 79092566 VHXCGTWYJGOFCS-HXUWFJFHSA-N 371.311 2.107 0 40 FEAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](N(C)Cc2ccccc2)C1 72308744 NPYRQPCFLVIMLZ-WBVHZDCISA-N 360.502 2.206 0 40 FEAB Cc1ccccc1Cc1noc(CN2CCC[C@@H]2CN2CCOCC2)n1 79465129 DFJVFQUDUDWNJB-GOSISDBHSA-N 356.470 2.265 0 40 FEAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3ccccc3c2)c1 23389951 MJLMBOVIWJMXPM-UHFFFAOYSA-N 362.432 2.288 0 40 FEAB COC(=O)C1(NC(=O)CN2[C@@H](C)COC[C@@H]2c2ccccc2)CCCCC1 95452647 DPEHMGDLFJKVSG-FUHWJXTLSA-N 374.481 2.441 0 40 FEAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)N2CCCC2)C3)n1 306134820 NYZUVRJKYWQVQL-INIZCTEOSA-N 360.458 2.251 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218061621 AMKRFJXITVXSSX-IJEWVQPXSA-N 351.811 2.062 0 40 FEAB COc1cc(S(=O)(=O)NCC(C)C)c(OC)cc1Br 30768865 ATETVOCUXWGVKG-UHFFFAOYSA-N 352.250 2.401 0 40 FEAB COc1cccc2sc(N3CCN(C(=O)c4cnccn4)CC3)nc12 36687650 CSVXMNPNKJZXKY-UHFFFAOYSA-N 355.423 2.057 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 409009920 CNCZCDCYWULQNC-TVNQGELYSA-N 351.380 2.389 0 40 FEAB COc1ccc2cnn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1OC 32104055 QLCGZOIPCJFAQP-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217528130 CKLAFZOANOWPSB-NEPJUHHUSA-N 358.460 2.299 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)C1 32268460 ATQGFJPLMJIXNO-CQSZACIVSA-N 368.861 2.198 0 40 FEAB COc1cccc([C@H]2[C@H](C(=O)Nc3nccs3)[C@H](C)Nc3ncnn32)c1 36621316 CRQDODVQDBSDOA-GDLCADMTSA-N 370.438 2.402 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3)cc1OC 78403651 GUWKETXIJPUHIV-UHFFFAOYSA-N 362.451 2.193 0 40 FEAB C[C@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC(c2ccccc2F)=NO1 226747069 CEVDYHMZGBYXQV-RNODOKPDSA-N 373.428 2.226 0 40 FEAB O=C(Cn1sc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 40267136 RMXCYWKMILWBAH-JTQLQIEISA-N 362.436 2.405 0 40 FEAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 43956871 MYTQMYNFTRZQNU-UHFFFAOYSA-N 364.826 2.236 0 40 FEAB Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224819236 VGXMIBUNDNZLFZ-UHFFFAOYSA-N 363.391 2.046 0 40 FEAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC2)cc1OC 223154208 LSVULZJVTOPTLP-PTNGSMBKSA-N 356.378 2.346 0 40 FEAB Cc1ccc2nc(=O)c(C(=O)NCCc3ccc(Cl)cc3)c(O)n2c1 226822510 UOSJJRDJGGQLHB-UHFFFAOYSA-N 357.797 2.334 0 40 FEAB CN(Cc1cn2c(n1)CN(C(=O)c1cccn1C)CC2)Cc1ccco1 96059532 RDMKRXFDYKCEOK-UHFFFAOYSA-N 353.426 2.103 0 40 FEAB Cn1ccnc1CN1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 96160962 QDOGGNRVVFQCRF-YLJYHZDGSA-N 356.470 2.403 0 40 FEAB COc1ccccc1CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619635 PTSINWYTPFQANB-OXJNMPFZSA-N 356.470 2.171 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 257224157 FANOMFONZCEGGX-MRXNPFEDSA-N 350.378 2.253 0 40 FEAB CN(C)c1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257323124 WIVWKRZWGZLOAZ-AWEZNQCLSA-N 350.426 2.210 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2ccnnc2)C1 257314956 UZHAZKNIBGYWRZ-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 257258683 KVCDKLAEDBWAER-LBPRGKRZSA-N 352.485 2.223 0 40 FEAB Cc1cc(N)cc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 257268693 MMUQNWREZYNWMI-LJQANCHMSA-N 351.406 2.348 0 40 FEAB CN(C)CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1 257270356 MTWMDXMFZXOVEP-ONTIZHBOSA-N 373.541 2.002 0 40 FEAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)CC2 667151333 HWOFNRVZKYDPGZ-QZTJIDSGSA-N 355.438 2.481 0 40 FEAB CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2cccc(F)c2)C1 670087585 MSMAEHKBZFJCQC-INIZCTEOSA-N 373.432 2.331 0 40 FEAB NCCn1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nn1 77471918 ANTXXWWYILBQBG-QGZVFWFLSA-N 355.829 2.410 0 40 FEAB O=C(C1CCOCC1)N1CC[C@@H](Oc2ccncc2Br)C1 1776001920 SKUDSVQNWGCLFW-GFCCVEGCSA-N 355.232 2.250 0 40 FEAB Cc1cc(C(=O)Nc2nc(C(=O)Nc3ccccc3C(N)=O)co2)c(C)o1 90582924 LLISRQFHBLKNJD-UHFFFAOYSA-N 368.349 2.488 0 40 FEAB O[C@H](CN[C@H]1CCN(c2ccc(Cl)cc2F)C1)COC1CCOCC1 629606558 IRGPUFQLZZBBLG-LSDHHAIUSA-N 372.868 2.204 0 40 FEAB O=C(N[C@@H]1COCC[C@H]1O)c1ccc(C(F)(F)F)cc1N1CCCC1 634465820 SFRQLWYLGFQLKS-UKRRQHHQSA-N 358.360 2.185 0 40 FEAB O=C([C@@H]1CC[C@@H](C2CC2)N1)N1CCC(C(=O)N2CCc3ccccc32)CC1 653080123 YWQRFSOATCQOPA-OALUTQOASA-N 367.493 2.345 0 40 FEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](S(C)(=O)=O)CC1 669697213 QPBBDEJLYHTVRP-NVXWUHKLSA-N 364.511 2.253 0 40 FEAB CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@H](O)C1=O 585088723 WMUVEVNFOJTVKD-FUHWJXTLSA-N 350.434 2.355 0 40 FEAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3)C2)c1 585112661 UUNCLXZXCXFTLW-SFHVURJKSA-N 374.510 2.423 0 40 FEAB COc1ccc(CC(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1 5473716 LFEZICCWTBUMAN-UHFFFAOYSA-N 360.341 2.268 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 12408093 FBNRYCJPHOMJAM-YSVLISHTSA-N 354.447 2.398 0 40 FEAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 13320885 TVIBHIQPSDGCPZ-ZSYWTGECSA-N 356.466 2.120 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)c(C)o1 1888843473 ABMFXIPJQGHWHJ-BETUJISGSA-N 360.389 2.048 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)CC)CC1 26311099 UDLJTVDBPUGGQK-UHFFFAOYSA-N 371.478 2.171 0 40 FEAB CN(C)c1ncc(C(=O)O)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1 2037885149 NFYNDMJCNALEOA-UHFFFAOYSA-N 350.419 2.355 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@H]32)n1 2056223860 HYKQYIRYBKKNAD-PMACEKPBSA-N 363.465 2.352 0 40 FEAB COC1(CC(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)CCC1 1565555215 AZTZBYMBMBRIFD-DOTOQJQBSA-N 364.511 2.367 0 40 FEAB Cc1nc(C(=O)N2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cs1 1565553056 ILXZECIQLJQDNU-SUMWQHHRSA-N 359.455 2.117 0 40 FEAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 9519141 ILCATQRLHUMWEW-CQSZACIVSA-N 373.501 2.486 0 40 FEAB COc1cccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2086884681 IPDJXMSNEFELTH-INIZCTEOSA-N 354.397 2.154 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1 575414856 YFIAMOTZAZVVIM-UHFFFAOYSA-N 360.414 2.408 0 40 FEAB CC(C)CN1C[C@@H](C(=O)NCCc2ccc(OC(F)F)cc2)CC1=O 40071942 MBAPUWFHEAOAPR-AWEZNQCLSA-N 354.397 2.451 0 40 FEAB CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1 40071342 NSVDSMLGXJEUDR-OAHLLOKOSA-N 353.426 2.081 0 40 FEAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCCn1cccn1 30171580 UMODSRZRLZXANQ-MRXNPFEDSA-N 364.449 2.290 0 40 FEAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C)Cc1cccc(F)c1 40106028 FXILUAWLZYBZCG-UHFFFAOYSA-N 354.403 2.004 0 40 FEAB CCSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C 930777 XHCSDINFVFGFJY-UHFFFAOYSA-N 352.485 2.379 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102195357 ROIWDFYDDLDZKE-MXSMSXNCSA-N 372.465 2.209 0 40 FEAB COc1ccc(Cl)cc1N1C(=O)C[C@H](N2C[C@@H](C)O[C@H](C)C2)C1=O 102338002 GVJSHXHNJABFIA-GYSYKLTISA-N 352.818 2.090 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N[C@H]2CCCc3c2cnn3C)cs1 52577922 ZKMJTEBNVMGOIR-ZDUSSCGKSA-N 361.471 2.207 0 40 FEAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 4944452 BMMLLGBGEXRBOH-SNVBAGLBSA-N 359.407 2.475 0 40 FEAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1cccc(N2CCCC2=O)c1 32904865 HOHKNVIJMFNHFK-CYBMUJFWSA-N 355.394 2.336 0 40 FEAB COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1 6453489 UOAWIZDMYGRGPT-UHFFFAOYSA-N 370.405 2.185 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N1CCNC1=O 6531231 SQYLDZRRSNCBCK-UHFFFAOYSA-N 372.450 2.156 0 40 FEAB COc1ccc(CC(=O)NCc2cccnc2-n2ccnc2)cc1OC 29917461 BNGPPWVASJIJAK-UHFFFAOYSA-N 352.394 2.143 0 40 FEAB O=C(c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 103108001 IWIXXVARLOJWRQ-AWMUPVKZSA-N 359.219 2.498 0 40 FEAB CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 33756852 JLJVAFVZCMDJOD-UHFFFAOYSA-N 358.872 2.338 0 40 FEAB O=C(NCCn1cc(Br)cn1)c1ccn(C2CCCC2)n1 28239789 CIKJMZBFIROUDA-UHFFFAOYSA-N 352.236 2.387 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccccn1)C(=O)N1CC(=O)Nc2ccccc21 42903728 VNGNULKZHDZJFJ-QGZVFWFLSA-N 353.378 2.248 0 40 FEAB O=C(c1cscn1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 78483041 CVRXBJCAEXBYOM-INIZCTEOSA-N 371.510 2.213 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccccn3)CC2)c1C 24574385 JGRLHMYREMCQBD-UHFFFAOYSA-N 370.453 2.161 0 40 FEAB Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1 1249021 WUQFTDKEKURMCO-UHFFFAOYSA-N 350.426 2.134 0 40 FEAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4cc(C)nn34)C(=O)N1CC2 1384272 HXXIQPLMSJKLKC-HNNXBMFYSA-N 364.405 2.351 0 40 FEAB CC(C)CCC[C@@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 25345589 NDAHIECWZVJXMX-CQSZACIVSA-N 365.499 2.446 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 107326439 KFPWWDANYFOJGE-UKTARXLSSA-N 372.421 2.115 0 40 FEAB O=C(Cc1ccccc1Cl)NC[C@H](O)COc1ccc2c(c1)OCO2 58179424 HYJOZWQIBIMBSO-ZDUSSCGKSA-N 363.797 2.167 0 40 FEAB Cc1nc2cc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)ccc2o1 25455903 SNNAQHMSGOTGHU-UHFFFAOYSA-N 364.361 2.440 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCC(C)C)n2)cc1OC 44916935 RJWUMYQBYUYBKE-UHFFFAOYSA-N 359.426 2.090 0 40 FEAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC3CC3)C(=O)C[C@@H]12 306134245 NGXBIQLXLUPMRJ-WIYYLYMNSA-N 356.466 2.204 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1C 2220322 GHLDTXBFXJHWRJ-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@H]2CCCCO2)CC1 36383874 HDWZTXHAYPIKIH-OAHLLOKOSA-N 358.891 2.215 0 40 FEAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 26676894 JSJBKBBZZGBAMI-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB Cc1ccc2nc(CSc3nc4nc(C)cc(C)n4n3)cc(=O)n2c1 3341424 OSJZMACBXPUIKL-UHFFFAOYSA-N 352.423 2.350 0 40 FEAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)N1CCc2ccccc21 11308645 MTRQFEUZCPCAMY-GFCCVEGCSA-N 355.423 2.384 0 40 FEAB CN(CCOc1ccc(Cl)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O 12745667 YHGXOHROBIPCFV-QGZVFWFLSA-N 351.834 2.329 0 40 FEAB Cc1nc(NC(=O)CN2CCc3ccccc32)sc1SCC(N)=O 48320716 BWEGQPXXGJVQHV-UHFFFAOYSA-N 362.480 2.030 0 40 FEAB Cn1c(Cl)cnc1COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 48313260 XWRAIPWZXCITRQ-NSHDSACASA-N 351.790 2.405 0 40 FEAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 8509360 DSAJOSUNPRCOOT-UHFFFAOYSA-N 367.398 2.426 0 40 FEAB COC(=O)[C@@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(C)C 13000221 NICUINBYCVJOOR-ZDUSSCGKSA-N 350.806 2.157 0 40 FEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C)C1 13000065 RDWJNBWHBAQPDL-CJNGLKHVSA-N 363.483 2.008 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 18023074 SEEMVEHDHMJKQR-BIWSTMPVSA-N 359.426 2.294 0 40 FEAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(=O)[nH]c(=O)[nH]2)N3)C1 18192168 KNXCZLIYKCXTLE-XLKFXECMSA-N 374.466 2.130 0 40 FEAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3nccs3)nc2s1 5017169 LSQASULHSYPPCA-UHFFFAOYSA-N 352.466 2.491 0 40 FEAB CC(C)=C[C@H]1[C@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1(C)C 39559030 LOOSFZRTJGOVFK-BLLLJJGKSA-N 356.426 2.149 0 40 FEAB O=C(/C=C/c1ccccc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13721778 YSMPMCZVDWODLT-VAWYXSNFSA-N 371.400 2.438 0 40 FEAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2c1 6143670 IOJKRBRURJGAOZ-UHFFFAOYSA-N 357.435 2.331 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cccc(Cl)c1 8747734 AQRGKZXOFAEJQY-HNNXBMFYSA-N 357.797 2.442 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nnc2ccccn12 14190022 QHVOFUVMOAPEOZ-CQSZACIVSA-N 352.394 2.480 0 40 FEAB CC(C)c1ccc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1 14169911 CQQYYEPSKKWVAZ-UHFFFAOYSA-N 374.466 2.434 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@H](c4ccccc4)C3)ccc21 4770401 AMBBBOCHMUCDGB-HNNXBMFYSA-N 371.462 2.055 0 40 FEAB COc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 4745175 APSSHFCXNRPNIV-LBPRGKRZSA-N 367.357 2.106 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCCN(Cc2ccccc2)CC1 8851750 TUAMVBRMLFBWHA-UHFFFAOYSA-N 362.433 2.271 0 40 FEAB NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 6832235 PGMOCFARULXOEU-HNNXBMFYSA-N 368.418 2.357 0 40 FEAB COCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 4995544 UXBZEQWUDZVRCB-UHFFFAOYSA-N 362.451 2.035 0 40 FEAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1[C@@H]1CCS(=O)(=O)C1 6911223 YTDSDOVYOOXWAO-CYBMUJFWSA-N 365.480 2.230 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 9390156 WTSRQVLXKYFQBM-UHFFFAOYSA-N 364.304 2.385 0 40 FEAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cccc(-n2cnnn2)c1 7719077 INVIJSZJQOBZJJ-UHFFFAOYSA-N 354.757 2.320 0 40 FEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1C(=O)N1CCSCC1 71282151 BNDYOXXKHWLFCF-KBPBESRZSA-N 362.451 2.171 0 40 FEAB O=C(O)C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 91292618 VEQDLHLMMZBTRY-CYBMUJFWSA-N 356.216 2.084 0 40 FEAB CCOc1cc(CNC[C@@H](C)O)ccc1Oc1nnnn1-c1ccccc1 9356191 WHHLEAHHPFCONZ-CQSZACIVSA-N 369.425 2.324 0 40 FEAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F 9411337 PXARANZJVCJPBI-NXEZZACHSA-N 365.249 2.242 0 40 FEAB CC(=O)N1CSC[C@H]1C(=O)N1CCCN(C)c2ccc(Cl)cc21 97212625 DJEWNTAGBUCVRM-HNNXBMFYSA-N 353.875 2.434 0 40 FEAB Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H]2CCc3ncnn3C2)n1 95960710 KKXJXFHYHNGCQK-AWEZNQCLSA-N 351.414 2.217 0 40 FEAB COc1c(Cl)cc(Cl)cc1CNC[C@@H](Cc1cnn(C)c1)C(N)=O 95996700 IHUHMQLTOMGAIU-GFCCVEGCSA-N 371.268 2.169 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cnccn2)C1 29755830 CVKIGMUBKPGROU-MRXNPFEDSA-N 367.453 2.168 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 408611524 SVDYXHXUJMHKMN-MRXNPFEDSA-N 363.483 2.365 0 40 FEAB O=C(NCCN=c1ccc2ccccc2[nH]1)c1ccc(=NCC2CC2)[nH]c1 507015653 RYGUGNCAZLVIEX-UHFFFAOYSA-N 361.449 2.137 0 40 FEAB COc1ccc([C@@H](CNC(=O)CCc2nc3ncccc3[nH]2)N(C)C)cc1 79477744 PXDPLMPTZICCFR-QGZVFWFLSA-N 367.453 2.318 0 40 FEAB Cc1ccccc1CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38848750 HUOBUPMAUNTZGO-GOSISDBHSA-N 374.462 2.229 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 224301587 WQIUIPRVCYHUKA-UHFFFAOYSA-N 362.455 2.039 0 40 FEAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1 225902224 OJWJFQYPHJPBTD-UHFFFAOYSA-N 363.409 2.419 0 40 FEAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 227162145 WIYMGQZKWVYDOY-UHFFFAOYSA-N 350.371 2.372 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)NCc1ccco1 138535844 RQXDBAOFFPYLJL-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)s1 77099803 KYSIYNSZTLSYCA-SNVBAGLBSA-N 374.347 2.293 0 40 FEAB O=C(CCc1ccc2c(c1)CCO2)NCCCc1nnc2ccccn12 95474178 VBVNJFZANOFELN-UHFFFAOYSA-N 350.422 2.346 0 40 FEAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4ccsc4)CC[C@@H]3C2)nn1 96249800 SVZPMVXCBIGZCT-GDBMZVCRSA-N 358.467 2.214 0 40 FEAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccccc1 96520066 NOSZZBBAKYLCFO-NXEZZACHSA-N 374.627 2.482 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 96207092 LAPVFMVZMYWBAZ-SFDGXYMASA-N 357.435 2.448 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)n1 248125770 LSOUBNLZRMMVIX-QGZVFWFLSA-N 366.465 2.400 0 40 FEAB CCc1ncc(CNC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)o1 645443263 FGRFBMWIKAQWBY-HNNXBMFYSA-N 356.426 2.085 0 40 FEAB COc1ccc(F)cc1CC(=O)N1CCc2c(ncn2C)C12CCOCC2 1615588395 FZQWCAAYULYTSB-UHFFFAOYSA-N 373.428 2.201 0 40 FEAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106349 YWPGBQVWGNSNAW-UAGQMJEPSA-N 373.497 2.429 0 40 FEAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 585281113 WGMADMVLYYZAFO-PMACEKPBSA-N 358.482 2.351 0 40 FEAB FC(F)(F)c1cc(Cl)ccc1-n1nnnc1Cn1nnnc1C1CC1 685944189 YKKNXUPPJUJIGQ-UHFFFAOYSA-N 370.726 2.247 0 40 FEAB Cc1ncccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615118230 BHQQMXABUPGHOO-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)N3CCOCC3)C2)n1 12088585 USPRWGYLAHPEAU-KRWDZBQOSA-N 367.453 2.479 0 40 FEAB O=C(C1CCCC1)N1CCC(n2nnc3c(O)nc(C4CC4)nc32)CC1 12219359 GBHROHCNNYHNDD-UHFFFAOYSA-N 356.430 2.158 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@H](c2n[nH]c3nccnc23)C1 12365054 WUKYJJPCXSNRTA-AWEZNQCLSA-N 351.410 2.310 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4cscn4)CC3)cc2N1 19345465 FULKOGRXZNCLJB-UHFFFAOYSA-N 371.418 2.209 0 40 FEAB O=C(c1cnccn1)N1CCC[C@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19406662 IOMAFVJJODWVKW-LBPRGKRZSA-N 367.434 2.308 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Br)c(C)c2)n1 5121300 RZAJHULYJGWKBZ-UHFFFAOYSA-N 371.260 2.470 0 40 FEAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)n1 1888860292 NYQRUUJOGJUGET-BETUJISGSA-N 374.514 2.345 0 40 FEAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(Cc3ccccc3F)[C@@H]2CN1 2037981061 SKQXHTGUJGSRRP-YVWKXTFCSA-N 358.388 2.448 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)c(C)c1 1565556007 TZWQCPIZPSZNCY-UXHICEINSA-N 367.449 2.124 0 40 FEAB CCCn1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 4250961 RFQBBMNQSLXYLW-UHFFFAOYSA-N 365.437 2.225 0 40 FEAB COc1cccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c1 4499839 JZSUBHXTLAUCES-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB CCOC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O 4625122 XTTHYVUCIKMCBP-GFCCVEGCSA-N 365.695 2.401 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2C1=O 9828190 CCRKLCYLGOAJNS-UHFFFAOYSA-N 364.398 2.232 0 40 FEAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(C(N)=O)CC1 11694417 XCNQHYGCXGWKMR-UHFFFAOYSA-N 374.416 2.138 0 40 FEAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1)CN2 19938909 YLEOSVVWCDTTJQ-UHFFFAOYSA-N 352.369 2.050 0 40 FEAB Cn1cncc1C(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970628 HAETVHAVXRTOAW-UHFFFAOYSA-N 363.421 2.121 0 40 FEAB O=C(OCc1ccccc1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602853 NRRCYFMWTOSELJ-UHFFFAOYSA-N 368.437 2.314 0 40 FEAB Cc1cc(C)n([C@@H](CNC(=O)c2cccn(C)c2=O)c2ccsc2)n1 575614200 PHVGGDUAZPUDKJ-INIZCTEOSA-N 356.451 2.280 0 40 FEAB COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)cc1 14032192 WGFQGQKADDSNNT-CYBMUJFWSA-N 359.407 2.014 0 40 FEAB O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCCC1 1333283 VTWFQSRKJIDQSI-UHFFFAOYSA-N 372.512 2.036 0 40 FEAB C/C=C/Cn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C 4721679 HGIYTWNNUYCHRL-ONEGZZNKSA-N 368.422 2.027 0 40 FEAB CC(=O)c1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1 32811020 XIBGERLIEZZQNQ-UHFFFAOYSA-N 371.462 2.347 0 40 FEAB Cc1c(C(=O)N2CCOCC2)cnc2nc(-c3ccc(Cl)cc3)nn12 10382340 XFELKRMIGPFHOX-UHFFFAOYSA-N 357.801 2.226 0 40 FEAB NC(=O)[C@@H](Sc1nnc(COc2ccccc2F)n1N)c1ccccc1 10420515 PXAGSWBOAPQZKH-HNNXBMFYSA-N 373.413 2.029 0 40 FEAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccccc1 8732498 WSBPJWKMMOKCKG-CYBMUJFWSA-N 354.362 2.142 0 40 FEAB COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1N1CCCC1=O 103024170 ZFTUEWVWHKUGAP-UQLKUDODSA-N 370.405 2.283 0 40 FEAB COC(=O)c1c(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 103155301 HKGFAMQWXBOYHV-JYILRKAJSA-N 361.419 2.080 0 40 FEAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1cccc(C(F)(F)F)c1 47328519 YUPHPYPCVSMNCB-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB C[C@@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 22839317 FIKSXISQJUQOHE-MRXNPFEDSA-N 352.434 2.418 0 40 FEAB CN(C)C(=O)Cc1ccc(NC(=O)N2CCC(N3CCCC3)CC2)cc1 47549441 VWKKLXMRHCRAON-UHFFFAOYSA-N 358.486 2.409 0 40 FEAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)ccc1O 1103591 PRGZXGWKAXQUJA-OAHLLOKOSA-N 350.440 2.393 0 40 FEAB CCN(C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1C 22065358 QJCZWZUWCDSWEI-UHFFFAOYSA-N 373.478 2.058 0 40 FEAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)NCC1CCCC1 58162503 NAWZUXBKFYMWFG-UHFFFAOYSA-N 360.458 2.336 0 40 FEAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccc(N(C)C)cc1 100433560 NNQGVLAFGABBSC-OALUTQOASA-N 358.486 2.213 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 57478804 CGTWKEIECQLQEX-UHFFFAOYSA-N 373.434 2.282 0 40 FEAB COc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 57411608 GDIJSODHQAZSKP-UHFFFAOYSA-N 353.422 2.092 0 40 FEAB O=C(COC(=O)c1cccc(OC(F)F)c1)NC(=O)NCc1ccco1 3394366 UFJOXLVYRNXNOP-UHFFFAOYSA-N 368.292 2.064 0 40 FEAB Cc1cc(OCC(=O)N[C@H](C(=O)O)C(C)C)c2c(C)c(C)c(=O)oc2c1 2096087 SEOXJXUGXABWOC-KRWDZBQOSA-N 361.394 2.322 0 40 FEAB biogenic CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1 58195868 UAFRGZBDQNYVET-UHFFFAOYSA-N 350.484 2.181 0 40 FEAB CN(C)CC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 58268203 ILKWYMSTCNERSL-UHFFFAOYSA-N 359.257 2.231 0 40 FEAB O=C(c1ccco1)N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 21763293 QZVFFWRQVYXHHQ-UHFFFAOYSA-N 354.362 2.050 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NC1CC1 36386007 ZYVNOQKKSNOTQD-UHFFFAOYSA-N 374.418 2.386 0 40 FEAB CN(C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 12846499 MDHGAXFTYULUEH-OAHLLOKOSA-N 370.478 2.336 0 40 FEAB O=C(NCC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1c[nH]c2ccccc2c1=O 69414248 CCDNQHGNYMPAMG-GJZGRUSLSA-N 367.449 2.297 0 40 FEAB COC(=O)c1cccc(NC(=O)CCn2cnc3sccc3c2=O)c1 14062181 UOGLXXHKEGOGSW-UHFFFAOYSA-N 357.391 2.273 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 6426400 NRVVWGKPGWPRJY-AWEZNQCLSA-N 368.499 2.319 0 40 FEAB COC(=O)CCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 4743686 IKBMVHAECRULNH-UHFFFAOYSA-N 362.407 2.379 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 14870947 XHIXUBQIUIFRSS-UHFFFAOYSA-N 360.435 2.179 0 40 FEAB CN(Cc1cccs1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 14913633 VTWDQCSWLWIEPW-UHFFFAOYSA-N 356.444 2.166 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993076 PGBXUKULDMMYKA-UHFFFAOYSA-N 365.817 2.313 0 40 FEAB Cc1c(C(=O)NC[C@@H](C)N2CCCC2)nnn1-c1cccc2cccnc12 67136584 ZLQKYOIVRSCSFG-CQSZACIVSA-N 364.453 2.338 0 40 FEAB COC(=O)CCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 7203791 FZRKGPOWZHJCPP-HXUWFJFHSA-N 352.390 2.240 0 40 FEAB NC(=O)N1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 92753973 LTEJEYRDWVZSSI-INIZCTEOSA-N 367.877 2.484 0 40 FEAB Cc1cc2nc(NC3=NCN(C[C@@H]4CCCO4)CN3)nc(C)c2cc1C 19330424 KMXZYIXHBQQNBO-HNNXBMFYSA-N 354.458 2.322 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 68121372 JFIVXUCRDIFGLI-NSHDSACASA-N 353.831 2.207 0 40 FEAB C[C@H](C(=O)NC1CCCC1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046638 IZEOJBQVJDBIEG-PXAZEXFGSA-N 368.437 2.078 0 40 FEAB Cc1nc2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc2o1 9500959 YMMJCHXXAGBVJW-UHFFFAOYSA-N 356.382 2.329 0 40 FEAB O=C(NCCn1ccc2ccc(F)cc21)C1(n2cnnn2)CCCCC1 72400747 ZYHLXTDOUURHCQ-UHFFFAOYSA-N 356.405 2.243 0 40 FEAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H](CO)C1 72484467 NQJSRTWNLASYEH-ZDUSSCGKSA-N 354.834 2.068 0 40 FEAB CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)N(C)C 84622388 SNYGQQGXJQACHG-QGZVFWFLSA-N 356.426 2.498 0 40 FEAB Cc1ccc(Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213115 WGEFNBTUCRBKIT-UHFFFAOYSA-N 362.433 2.366 0 40 FEAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cnn(-c2ccc(F)cc2)n1 95983611 SSHRFKMJYLZDEH-RDTXWAMCSA-N 360.389 2.258 0 40 FEAB Cc1ncc(C(=O)N2CCN(C(=O)c3cnc(C)s3)[C@@H](C)C2)s1 75178719 AZLASSZLWNRMDG-VIFPVBQESA-N 350.469 2.203 0 40 FEAB Cc1cc(Cl)c(C(C)C)cc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 22743449 ABUKCVLWXNMDEA-GFCCVEGCSA-N 359.875 2.454 0 40 FEAB C[C@H](NS(C)(=O)=O)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 183307416 CXLKBFCRBWGWQA-XACNLCELSA-N 356.513 2.470 0 40 FEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 39204652 JMIAZDVHNCCPDM-PMJXBNNDSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro C[C@H]1CCN(c2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)ccn2)C1 517323322 TVTVIMYRYBJPQG-ZDUSSCGKSA-N 363.425 2.038 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCN(c3nccs3)CC2)c1 1519037698 HVXTUIFAXQPHJZ-UHFFFAOYSA-N 372.450 2.326 0 40 FEAB COc1ccc(-n2c(C)nc3c(cnn3CN3CCCCC3)c2=O)cc1 31771912 ZJUMRXHNQWOJOL-UHFFFAOYSA-N 353.426 2.343 0 40 FEAB COc1cccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)c1 75244147 RMKCXAJSJRZURO-UHFFFAOYSA-N 356.422 2.431 0 40 FEAB CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)NCc2ccccn2)s1 44894121 NDQBXKACSHOJKA-OAHLLOKOSA-N 374.466 2.308 0 40 FEAB CCOc1cccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 138148677 HOADQQICVPUHTC-CALCHBBNSA-N 356.422 2.043 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1C 224644682 IIDJEWHTLRYGNF-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB CC1(C)CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H](COc2ccccc2)O1 573702547 MJBPCTUFXSMILP-AWEZNQCLSA-N 358.394 2.077 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 578386432 HDRPVXZETVOXEP-SNVBAGLBSA-N 365.363 2.500 0 40 FEAB O=C1[C@@H]2CCN(Cc3ccccc3F)C[C@@H]2OCCN1c1cccnc1 96209472 LVCZXPBHIWKQQB-MJGOQNOKSA-N 355.413 2.475 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(CC3CCOCC3)C[C@@H]21 96043510 ZHZBEKKNUVNONO-GUDVDZBRSA-N 359.470 2.174 0 40 FEAB Cc1ccc([C@@H](O)[C@](Cl)(I)S(C)(=O)=O)cc1 96519998 QILQUSFTGDOABO-ZJUUUORDSA-N 374.627 2.401 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(OCC2CCOCC2)nc1 253400622 LLQFUWRWYJNBPW-UHFFFAOYSA-N 355.394 2.238 0 40 FEAB O=C([C@H]1CCCOC1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257292034 QJRHJPALOKXZIY-HNNXBMFYSA-N 368.441 2.143 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)CCC(=O)O)C2)cn1 257225909 FIHZMDYCMHJOLQ-ZDUSSCGKSA-N 358.398 2.004 0 40 FEAB O=S(=O)(CC[C@H]1CCCCO1)N1CC[C@]2(C1)OCc1ccccc12 641431560 UOTJYFVZPVNYSE-SJLPKXTDSA-N 351.468 2.407 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)N=c1cc[nH]cc1Br 666493502 GOABTNXLWLFEOW-UHFFFAOYSA-N 350.220 2.199 0 40 FEAB NC(=O)[C@@H](Cc1ccc(F)cc1)SCc1cc(=O)n2ccsc2n1 612600664 WNCZKGBUSCHJCS-CYBMUJFWSA-N 363.439 2.225 0 40 FEAB C[C@H]1[C@H](C)N(C(=O)c2ccncc2F)CCN1C(=O)c1ccncc1F 620747260 OTZNNHPZRMYYAJ-RYUDHWBXSA-N 360.364 2.130 0 40 FEAB CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccsc1 96097417 LPFMMTQQIXRQKQ-HNNXBMFYSA-N 368.480 2.116 0 40 FEAB O=C1CC[C@@H](C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1 51570944 PKZVSGLEJLEDDA-SNVBAGLBSA-N 369.299 2.325 0 40 FEAB NC(=O)c1cc(N2CCC(c3nc(C(F)(F)F)cs3)CC2)ncn1 641615899 HYALDQMARVNIBP-UHFFFAOYSA-N 357.361 2.435 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152536 ACLWJFXOFFPSTJ-FQEVSTJZSA-N 369.396 2.259 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3nc(N4CCOCC4)ncc32)C1 12326909 YENWCGNOYUVGCN-BFYDXBDKSA-N 374.485 2.012 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1cccs1 13722433 FUWHHRDECOEWLP-UHFFFAOYSA-N 355.419 2.099 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CC)cc1C 16610231 KRTCMICXCGJUDX-AWEZNQCLSA-N 356.488 2.319 0 40 FEAB COc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc(OC)c1OC 16916161 VDKNDEAGBQGHTL-UHFFFAOYSA-N 363.439 2.409 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 18210324 RQFYIRZAMWZYSL-PHIMTYICSA-N 366.320 2.122 0 40 FEAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccs1)CC2 19528312 DYVOJOBSAYGRFY-UHFFFAOYSA-N 356.451 2.345 0 40 FEAB Cc1cc(C)c2ccc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc2n1 1889139250 QWBQEHGMRCHTJQ-CQSZACIVSA-N 360.483 2.297 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCCO2 25417768 GGLHFMIESXGLQM-INIZCTEOSA-N 355.390 2.362 0 40 FEAB COCCn1/c(=N/C(=O)c2cc(C)nn2C)sc2cc(OC)ccc21 101025627 ARVWGIGFYKAALJ-ZCXUNETKSA-N 360.439 2.141 0 40 FEAB CCOc1ccc(-c2noc(CNC(=O)CCc3c(C)noc3C)n2)cn1 225814197 LGXIHZJMNWDCEB-UHFFFAOYSA-N 371.397 2.384 0 40 FEAB COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 4280401 BEWNUTREXDBTIY-UHFFFAOYSA-N 373.434 2.013 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)O 47949120 YUMJLKWFYFQJHY-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB CCOc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1N 6817538 IDPPLGOKMUUTFP-UHFFFAOYSA-N 358.423 2.389 0 40 FEAB CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H]1N 152441674 CZRRUKIPWDACKR-OBJOEFQTSA-N 360.376 2.031 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(O)nn(C)c2n1 40090989 UVSRBGAHTWEKID-UHFFFAOYSA-N 369.400 2.084 0 40 FEAB Cc1cc(=O)c(C(=O)NCCN2CCC(C)CC2)nn1-c1ccccc1 40108069 AQBHUKOHYOENKW-UHFFFAOYSA-N 354.454 2.003 0 40 FEAB CC(C)CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 20354075 XSBKHBBYKSMAAQ-KRWDZBQOSA-N 371.481 2.050 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 29319663 JCMGJJGLLQSJRF-OAHLLOKOSA-N 367.515 2.121 0 40 FEAB COC(=O)c1c(C(=O)Nc2ccc(Cl)cc2)c(C)n(NC(N)=O)c1C 1591311 OXPJUQYDMRKSAW-UHFFFAOYSA-N 364.789 2.419 0 40 FEAB NS(=O)(=O)Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 32754322 JWILZTGYGUTMRL-UHFFFAOYSA-N 360.222 2.429 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(Cl)c1 29863239 IFILFXXVSJWKNJ-GFCCVEGCSA-N 368.865 2.081 0 40 FEAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3nncs3)c2)CC1 6680633 NUCQYVKZHQCFJY-UHFFFAOYSA-N 372.497 2.273 0 40 FEAB Cn1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c2ccccc21 7104121 QWPYMAAENKKVME-UHFFFAOYSA-N 374.418 2.062 0 40 FEAB O=C1NC(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)S1 59250383 BADLBVOIYPVUBO-RMKNXTFCSA-N 359.201 2.203 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1CCCN1c1nccs1 75556360 LQKJYHIZCLRVAA-CQSZACIVSA-N 354.439 2.009 0 40 FEAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2733677 MOGRVBXXJZBREQ-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB CS(=O)(=O)Nc1ccc(Oc2ccc(NS(C)(=O)=O)cc2)cc1 643238 XFGNLELAXLYWEJ-UHFFFAOYSA-N 356.425 2.222 0 40 FEAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCCC1=CCCCC1 9743523 XURRWOPPICRDNG-AWEZNQCLSA-N 369.425 2.214 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 860681 PHNFFCKLNXPRDM-UHFFFAOYSA-N 352.799 2.417 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cn(C)nc1C 104611293 SGRFVIXPKCOOOH-XYPHTWIQSA-N 365.441 2.287 0 40 FEAB CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1C 23351902 JUICITLNBZSAFY-UHFFFAOYSA-N 361.471 2.054 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)c(F)c2)s1 24711587 HVRQOLIGLBEMHI-UHFFFAOYSA-N 356.444 2.310 0 40 FEAB O=c1n(Cc2nc(-c3ccsc3)no2)nnn1-c1ccccc1Cl 24836181 NUWOXXAILIDKLP-UHFFFAOYSA-N 360.786 2.242 0 40 FEAB COc1c(F)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F 55947886 KUJIFQZTRKICAF-UHFFFAOYSA-N 359.332 2.402 0 40 FEAB CC(C)(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3240323 RDGKIXGTSIJHNT-UHFFFAOYSA-N 373.496 2.307 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(F)cc1 111880922 LRMQPIXQUBACGK-GFCCVEGCSA-N 374.343 2.500 0 40 FEAB C[C@H]1CCCCN1C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507312 YTIWZIBHNNOZTB-AWEZNQCLSA-N 366.425 2.036 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nccs3)cc12 35686261 IRXVLFYHCLPXQY-SECBINFHSA-N 374.422 2.399 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 58178674 QVNFCLHUKISICZ-MRXNPFEDSA-N 364.405 2.130 0 40 FEAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3)C2=O)c(C)o1 58216278 NMXPRODMLVBPHX-HXUWFJFHSA-N 369.421 2.322 0 40 FEAB COc1ccc(C2=NN(C(=O)CONC(C)=O)[C@@H](c3ccco3)C2)cc1 58214811 CYWKXBHPLWWARL-MRXNPFEDSA-N 357.366 2.034 0 40 FEAB COCCn1c(C)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C 2116157 YTKDEKFGHFJIJK-IGVUGNCQSA-N 366.439 2.349 0 40 FEAB Cn1c(=O)c2c(SCc3cccnc3)nc(C(C)(C)C)nc2n(C)c1=O 27780019 RLGGCMMKPSPOPE-UHFFFAOYSA-N 371.466 2.012 0 40 FEAB COc1ccc(N(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cn1 58413204 BOZWMNHIYGNECE-UHFFFAOYSA-N 356.350 2.363 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(Cc2cccnc2)CC1 48367344 BCMVMXYFOCWFGF-UHFFFAOYSA-N 361.449 2.154 0 40 FEAB Cc1c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)oc2ccc(F)cc12 81085243 QIDNJRLDCBUPNN-OAHLLOKOSA-N 360.385 2.390 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2NC1=O 12982300 OQVGTBGFEWRQKV-HWPZZCPQSA-N 352.346 2.126 0 40 FEAB CCOc1c(Cl)cc(C(=O)NCc2nnc3n2CCC3)cc1OC 13001549 KSSPOYGVTZSHMG-UHFFFAOYSA-N 350.806 2.215 0 40 FEAB COc1ccc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 8075097 CCWGDHWZJTUNKN-UHFFFAOYSA-N 353.422 2.363 0 40 FEAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1 5081995 DTIORDMLBBICJJ-NSHDSACASA-N 358.464 2.472 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)N1CCC(c2ccccc2)=N1 5042740 RDJRFGSEFFCYKP-UHFFFAOYSA-N 364.434 2.391 0 40 FEAB CC(=O)N1CCN(c2ccc(NC(=O)CSc3ccccn3)cc2)CC1 6186134 TYYYKWJXJVGCCD-UHFFFAOYSA-N 370.478 2.481 0 40 FEAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 4333957 PYEXLWSGEGBYTM-SSDOTTSWSA-N 358.181 2.130 0 40 FEAB COc1ccc2cc(C(=O)NCC(=O)NCc3ccco3)c(C)nc2c1 14022452 KGCVZPMLLBPGRO-UHFFFAOYSA-N 353.378 2.191 0 40 FEAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 5562475 WQILYYCDLXJYMC-QGZVFWFLSA-N 351.358 2.339 0 40 FEAB CCN(CCc1ccncc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 8708947 NHHYVQQXKNMMAL-UHFFFAOYSA-N 368.481 2.421 0 40 FEAB Cc1ccc2ncc(CN3CCN([C@H](C)C(=O)NC4CCCC4)CC3)n2c1 93078290 LUIHUOGLWDWUIY-QGZVFWFLSA-N 369.513 2.208 0 40 FEAB O=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NCc1cccs1 9477857 OERCDEOYWOKILR-UHFFFAOYSA-N 357.391 2.412 0 40 FEAB COc1ccc([C@@H](Nc2ccccn2)c2oc(CO)cc(=O)c2O)cc1 19880791 HYMRQKDFQORIBA-QGZVFWFLSA-N 354.362 2.443 0 40 FEAB Cc1cc(N2CCCC[C@@H]2C(=O)N2CCOCC2)nc(-c2ccccn2)n1 72310972 NRRLJMLKJSFJJU-QGZVFWFLSA-N 367.453 2.065 0 40 FEAB CCOCCNC(=O)CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 84679682 IGDALGHDEFPTBG-UHFFFAOYSA-N 357.454 2.418 0 40 FEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 84691982 BLCGKRAURKJFQP-DYVFJYSZSA-N 373.453 2.221 0 40 FEAB COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc2cc(OC)ccc2n1 95994175 SFXFETIYDUROSB-WMLDXEAASA-N 358.394 2.036 0 40 FEAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[C@H](N(C)C)C1 89314020 HVHGFHYKPUJSLH-GJZGRUSLSA-N 363.527 2.470 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408602051 HOHAHUHSKAIQEW-UHFFFAOYSA-N 368.499 2.499 0 40 FEAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 127748529 DJMVATGNNSLTJY-OALUTQOASA-N 353.470 2.181 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1 306134323 NJAGUJZWYQEFOL-QUCCMNQESA-N 355.486 2.071 0 40 FEAB COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)s1 31807931 FQMUWFAKSCNCAU-UHFFFAOYSA-N 374.422 2.189 0 40 FEAB COC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218538853 GDGCIHOTFGMORB-RYRKJORJSA-N 364.394 2.483 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 30848198 KDMLVEDWNCZBDM-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cs1 32766656 FPVDEBRQGXZHGZ-UHFFFAOYSA-N 358.423 2.158 0 40 FEAB C[C@@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(=O)O)cn2)C[C@@H](C)O1 566302086 YGAJWUNOMQEDTG-CHWSQXEVSA-N 370.409 2.036 0 40 FEAB CCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 44640851 APUHLDQMCZXUFH-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223124862 FPZYWZWHVMIAGE-ROUUACIJSA-N 372.494 2.288 0 40 FEAB Cc1nc2ncnc(NC[C@@H]3CN(Cc4ccccc4)CCO3)c2nc1C 222286485 XRUCNPHQWDMCQX-QGZVFWFLSA-N 364.453 2.350 0 40 FEAB COCCNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2F)CC1 225489259 RHPFORGMFXDUIP-UHFFFAOYSA-N 372.444 2.111 0 40 FEAB Cn1ccc(CC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1 571231267 WXGZXYYUXJTSCR-NSHDSACASA-N 355.364 2.121 0 40 FEAB Cc1ccc2nc3c(cc(C(=O)NCCCOC(C)C)n3C)c(=O)n2c1 96347416 GDNSKBKUGWSHCW-UHFFFAOYSA-N 356.426 2.040 0 40 FEAB CCN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 96301208 VIAIENBZXBYWNZ-AWEZNQCLSA-N 356.253 2.263 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCCN(C)C)c1ccccc12 96079502 CJZIINFURYSPKD-QGZVFWFLSA-N 357.498 2.122 0 40 FEAB C[C@H]1CN(CC2CCOCC2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 96061305 VMSGVIJDWCJFDD-ZAAXVRCTSA-N 350.503 2.199 0 40 FEAB O=C1CN(C(=O)NCc2c(F)cccc2N2CCCC2)[C@@H]2CCCC[C@@H]2N1 332884724 OGCWLKHLEKEAJV-FUHWJXTLSA-N 374.460 2.379 0 40 FEAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)COc1ccccc1)CC2 96254669 OBXFIWWICVSGIK-UHFFFAOYSA-N 366.465 2.391 0 40 FEAB O=C(c1ccnnc1)N1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239059 HIUQIECJNXGENU-SFHVURJKSA-N 358.348 2.024 0 40 FEAB CC(C)C(=O)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244228 RCKDAWFNFZHXHG-LJQANCHMSA-N 356.426 2.338 0 40 FEAB Cc1cccc(COC[C@@H]2CCOC23CN(C(=O)c2ccncc2)C3)n1 247879480 QSPRWDOTGZQAGU-KRWDZBQOSA-N 353.422 2.233 0 40 FEAB C[C@]1(COc2ccccc2)C[C@@H]2CN(C(=O)Cn3cccn3)CC[C@@H]2O1 257232932 GNABNUPBUXOATG-IMFGXOCKSA-N 355.438 2.358 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3COCc2cccnc2)c1 253602225 LJYGVVPJBZEQQA-SFHVURJKSA-N 353.422 2.233 0 40 FEAB COc1ccccc1OCC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C 586426125 BJMMRXLVPZVQBD-LSDHHAIUSA-N 363.458 2.068 0 40 FEAB CC[C@@H](OC)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21 255187528 FEFZJPGXCRTGFM-MRXNPFEDSA-N 364.373 2.230 0 40 FEAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 585278188 MUHHRAQSKNLZOJ-FQEVSTJZSA-N 359.470 2.174 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@@H]21 585109414 NQKFTUHJBJTTMO-ZIFCJYIRSA-N 370.474 2.223 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2)CC1 585113201 CCLFQRGJNIIVAN-GOSISDBHSA-N 364.511 2.282 0 40 FEAB CC(=O)Nc1cc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)ccc1C 48290889 OVCROVKPSYFYNV-UHFFFAOYSA-N 366.381 2.195 0 40 FEAB COc1cc(CNC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)ccc1O 58304881 KTHLJPUELGCHLN-NSHDSACASA-N 367.398 2.019 0 40 FEAB CS(=O)(=O)Cc1noc(CN2CCC(c3c[nH]c4ccccc34)CC2)n1 72304840 HUTNOHCXMSEWFV-UHFFFAOYSA-N 374.466 2.475 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@](O)(COc3ccc(C)cc3)C2)on1 1615190357 GTGIJTCOWKEYDF-HXUWFJFHSA-N 374.437 2.357 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCCC2)c1 5507722 KEQMDDRYSHVQHT-UHFFFAOYSA-N 359.831 2.415 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12553773 LONLXZAGDLJFPF-CYBMUJFWSA-N 362.451 2.471 0 40 FEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)C[C@@H]2CCCO2)on1 19123431 IRLCNELIPJSPMK-ZDUSSCGKSA-N 359.430 2.034 0 40 FEAB O=C(Cc1ccccn1)N1CCC[C@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 19401207 NLJVDJDEVQUPCP-KRWDZBQOSA-N 361.405 2.133 0 40 FEAB CCOc1ccccc1C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19520040 IDICDNGOMWIBOO-AWEZNQCLSA-N 352.438 2.151 0 40 FEAB CN1CCc2nc([C@@H]3CCCN3C(=O)COc3ccccc3F)ncc2C1 19590518 SUZLCXQETHYOBU-KRWDZBQOSA-N 370.428 2.346 0 40 FEAB O=C(O)c1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)o1 19966678 MQJMRWBSMREXDE-UHFFFAOYSA-N 350.124 2.470 0 40 FEAB Cc1cc(N2CCC(COc3ccc4nccn4n3)CC2)n2nccc2n1 1888904017 QHIKHTVXNAXBDL-UHFFFAOYSA-N 363.425 2.376 0 40 FEAB C[C@H](OC(=O)c1cncc(Br)c1)C(=O)NCc1ccco1 28632806 CMDOHFSUSWZYCM-VIFPVBQESA-N 353.172 2.299 0 40 FEAB CCOC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 5123336 OKXSDSAYAKYGDE-MRXNPFEDSA-N 373.453 2.085 0 40 FEAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1OC 12441570 QUHCAOQGQZHYEG-SFHVURJKSA-N 363.435 2.466 0 40 FEAB O=C(NCc1nc(C2CCOCC2)no1)c1cc(-c2ccc(F)cc2)[nH]n1 575615503 DIJMDXVOQHYOAT-UHFFFAOYSA-N 371.372 2.423 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)C1(c2ccc(F)cc2)CC1 244986323 JQGABWJNDWYMEE-INIZCTEOSA-N 357.381 2.478 0 40 FEAB c1cnc(OC[C@H]2CCCN(c3ccc4nnc(C5CC5)n4n3)C2)cn1 2298084951 TZHBDVDVIVHWQE-ZDUSSCGKSA-N 351.414 2.087 0 40 FEAB Cc1sc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N(C)C 6679512 LJWFFRZHYDUYQB-UHFFFAOYSA-N 368.436 2.257 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)Cn1c(C)cc2ccccc21 53776722 WPBIBALMVJGSFL-UHFFFAOYSA-N 373.434 2.244 0 40 FEAB COc1ccccc1CNC(=O)CN1CCN(Cc2cccs2)CC1 22784084 QXQAIIAEFUNDAW-UHFFFAOYSA-N 359.495 2.191 0 40 FEAB CCC[C@H](c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1 57670030 WXNNXVJQPTXJFE-QGZVFWFLSA-N 362.453 2.122 0 40 FEAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCOCC2)cc1 1020514 PMJZCOPHQLPYLD-UHFFFAOYSA-N 373.478 2.428 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1C 23732229 RMVXQDMYRWGHLW-FQEVSTJZSA-N 374.506 2.343 0 40 FEAB O=C1[C@H]2CCC3(C[C@@H]2C(=O)N1CCc1c[nH]c2ccccc12)OCCO3 100742604 JZFNLGWIUKSTKD-HOTGVXAUSA-N 354.406 2.239 0 40 FEAB biogenic COc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1NC(C)=O 55985760 AGQNJGJJMRVUGD-UHFFFAOYSA-N 353.382 2.496 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2c(F)cccc2F)cc1C(=O)O 57120533 XYVWOLBNFUEGLR-UHFFFAOYSA-N 357.334 2.497 0 40 FEAB CC1CCC(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 57315245 YRMJXOGUVMWNNF-LGHNAOJLSA-N 369.465 2.465 0 40 FEAB O=C([C@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1)N1CCCC1 58195049 MIGRNCWJROAXAS-OAHLLOKOSA-N 358.410 2.130 0 40 FEAB O=C(CN1CCN(Cc2cscn2)CC1)N1CCCc2ccccc21 58218858 RQSHZXDRQDIAJX-UHFFFAOYSA-N 356.495 2.240 0 40 FEAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CN1C(=O)CN(C)C1=O 45262439 OQYAGWYMISMHPD-VIFPVBQESA-N 358.225 2.407 0 40 FEAB O=C([C@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1 48264547 RJMRDZHDHJSIAO-OAHLLOKOSA-N 358.360 2.408 0 40 FEAB CC(C)[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1cccs1 11154689 SPOWYJQQJNTFMK-CQSZACIVSA-N 363.468 2.066 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)Cc1ccc(Br)cc1 12907497 INRQSXKISXCPQM-UHFFFAOYSA-N 365.227 2.359 0 40 FEAB CCOc1ccc(OCCNC(=O)c2ccc(CNC(N)=O)cc2)cc1 12926032 SKSOMWSALNRVLN-UHFFFAOYSA-N 357.410 2.062 0 40 FEAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1 5033967 JIKPWWYQXLPTJF-VIFPVBQESA-N 362.440 2.247 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccc3c(c2)OCCCO3)c1 39514974 DZGWJEKSFYVBRT-UHFFFAOYSA-N 371.389 2.330 0 40 FEAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN(C)C)cc1 5124263 MFFJBDCSKBQWPF-JXAWBTAJSA-N 355.438 2.427 0 40 FEAB Cc1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccccc2)cc1 4476300 ALIFVKXJGRPYPZ-UHFFFAOYSA-N 357.395 2.166 0 40 FEAB CC(C)(CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCCCC1 14139721 DSWLFYXUAYWDTH-UHFFFAOYSA-N 368.481 2.337 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 14167361 XBEQHPHSWIYECR-UHFFFAOYSA-N 358.442 2.009 0 40 FEAB O=C(CNC(=O)c1ccco1)OCCOc1cccc(Br)c1 6566444 HBCFCYPZSFUPMF-UHFFFAOYSA-N 368.183 2.394 0 40 FEAB COc1ccc(CCNC(=O)CCC(=O)NCc2ccc(C)o2)cc1OC 4674823 FCBJJORVUSVGKX-UHFFFAOYSA-N 374.437 2.361 0 40 FEAB CCOC[C@H]1CCN(CC2CC2)C2(C1)CN(c1cc(C)nc3ncnn13)C2 306124913 CCAJFMOGPVMKEG-KRWDZBQOSA-N 370.501 2.150 0 40 FEAB C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(N)=O 7016014 HAHASHIPDWQMJH-GFCCVEGCSA-N 360.435 2.282 0 40 FEAB COc1ccc(CCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 15645411 RRVRAOADWIVRIC-UHFFFAOYSA-N 353.382 2.251 0 40 FEAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1 18217891 AVUVKXXSPFXYRO-IBGZPJMESA-N 372.513 2.451 0 40 FEAB C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1sccc1C(N)=O 8878513 NFOWQIDCVLXPFM-SSDOTTSWSA-N 367.814 2.267 0 40 FEAB CCOC(=O)/C=C1/SCC(=O)N1CCSc1ncc2ccccn12 96917239 QRJICGXCPOREPB-NTEUORMPSA-N 363.464 2.406 0 40 FEAB COC(=O)c1cc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)oc1C 9114455 XDHPFDQHMNRIDN-NPQIQWPPSA-N 357.362 2.344 0 40 FEAB COc1cccc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 9367116 ICPDJUOHVCMVBU-GFCCVEGCSA-N 352.394 2.179 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccc2ccccc2c1 84605808 ZQEBDVOXSROUAB-RBUKOAKNSA-N 372.490 2.221 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425050 PQOOSHHYDOYXKG-CNELAYHGSA-N 374.418 2.090 0 40 FEAB COCCn1ccc2c(NC(=O)COc3c[nH]c(C)cc3=O)cccc21 95480799 WLLZOIYSKGRVIE-UHFFFAOYSA-N 355.394 2.302 0 40 FEAB CCCc1c(C(=O)N[C@@H]2CCC3(C2)OCCO3)[nH]c(C)c1C(=O)OC 95992278 GYSGBNNZTJTHBA-GFCCVEGCSA-N 350.415 2.088 0 40 FEAB C[C@H]1Cc2cc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc(Cl)c2O1 95960475 DELZYRYZBZBGPP-VHSXEESVSA-N 374.890 2.245 0 40 FEAB C[C@H](O)c1cn(C2CN(C(=O)CSc3ccccc3Cl)C2)nn1 95998110 PKHMHLAEHLWYLT-JTQLQIEISA-N 352.847 2.160 0 40 FEAB CCn1cc(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cn1 89305709 ASKRUCIIWGEAKQ-UHFFFAOYSA-N 366.874 2.145 0 40 FEAB CCC1(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CCC1 75106965 LPDFIDQLDZFLHT-UHFFFAOYSA-N 371.547 2.220 0 40 FEAB COc1cc(C)ccc1OCC(=O)Nc1ccnc(OCCN(C)C)c1 89623571 LERJOLWEPPDLBC-UHFFFAOYSA-N 359.426 2.357 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N1CCC[C@@H]1c1ccc3c(c1)OCO3)CC2 89740841 XOUUOLCXWJFOHU-LSDHHAIUSA-N 354.410 2.241 0 40 FEAB O=C(NCC[C@H]1CN(CC2CCCC2)Cc2ccnn21)c1cnccn1 306131471 KFRYUQCXYHPFPB-INIZCTEOSA-N 354.458 2.040 0 40 FEAB CC(C)C(=O)Nc1cc(C(=O)NCCCNC(=O)c2ccccc2)ccn1 549998292 SHWFTVFUGFQHPX-UHFFFAOYSA-N 368.437 2.226 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1 36182821 FTXPWMSHVNLWPU-UHFFFAOYSA-N 350.784 2.090 0 40 FEAB Cn1ccnc1-c1cc2nc3c(c(N4CCC[C@@H](CO)C4)n2n1)CCCC3 72338546 BADSERXWHSOBDP-CQSZACIVSA-N 366.469 2.217 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71980032 QGTKXLKKAZUOJH-CYBMUJFWSA-N 372.343 2.053 0 40 FEAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218576760 XTHXNLHYCFLGNL-ZOBUZTSGSA-N 365.838 2.309 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225852889 FBEMCAWLUBJHAB-VMUDFCTBSA-N 366.483 2.155 0 40 FEAB COc1cccc(C(=O)NCC2CCN(c3ncccn3)CC2)c1OC 43977219 XDTVRHZCVKJIPX-UHFFFAOYSA-N 356.426 2.140 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1cnc(-c2ccccc2)nc1 225593262 HWIHLSCIKWPICX-UHFFFAOYSA-N 358.423 2.269 0 40 FEAB CN(C)CCCn1cnc2cc(NC(=O)c3[nH]nc4c3CCC4)ccc21 95479473 VNFQEIZBUHSQHD-UHFFFAOYSA-N 352.442 2.452 0 40 FEAB CN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1cccn1C)CC2 96199502 QQAKWUFSCJNJNU-INIZCTEOSA-N 352.438 2.041 0 40 FEAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ccc(C)cc4[nH]3)[C@H](F)C2)CC1 96112297 PQUNSWUECODTGS-APWZRJJASA-N 374.460 2.421 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 96065098 KJOGAECSTWSXSZ-MJGOQNOKSA-N 357.410 2.468 0 40 FEAB CCOC[C@H]1C[C@]2(COCCN2C(=O)c2ccc3ncccc3c2)CO1 96078587 KPHGAHLIMOYUHE-XLIONFOSSA-N 356.422 2.271 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247857336 KZQYAEPRUFXBBA-MRXNPFEDSA-N 370.428 2.278 0 40 FEAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccsc2)[C@@H](C(=O)O)C1 248135393 RNLDOUCUTGNKBY-HZPDHXFCSA-N 359.451 2.333 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(CN)C(=O)O)cc1 252517074 ZHUZNAAJMSGAJY-NUJGCVRESA-N 363.410 2.104 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)c1 253601948 GPKSVCMLFNSHMF-QGZVFWFLSA-N 353.422 2.233 0 40 FEAB CCn1nnc(C)c1CNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 627871055 XKPWPVAGJZEKFW-VIFPVBQESA-N 372.395 2.402 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCCN(C)C1=O)N1CCCC1 635114444 WCGHNBRFMUYDDS-QZTJIDSGSA-N 373.497 2.207 0 40 FEAB O=C(c1cnn2cccnc12)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 608006430 VIYFOIIWFFZSSD-SNVBAGLBSA-N 364.331 2.491 0 40 FEAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCN2C(=O)CNC2=O)o1 608255356 BPXLYOMSYYGPJN-UKRRQHHQSA-N 361.442 2.474 0 40 FEAB COC[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C 390822329 GVPLUCXGBXMENY-IRXDYDNUSA-N 364.486 2.229 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403419 KLNNHDNYKOENRF-CYBMUJFWSA-N 356.451 2.073 0 40 FEAB O=S(=O)(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1 585111910 IXHXQJURSAXWRB-QGZVFWFLSA-N 372.450 2.012 0 40 FEAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CCCc3cn[nH]c3)[C@H]2O)cc1 585286154 VBCNNAJPKQDFEZ-YVWKXTFCSA-N 357.454 2.376 0 40 FEAB O=C(C[C@H]1CN(CCc2ccccc2)Cc2cccn2C1)N1CCOCC1 585099263 ZLZCEZBDMCCMIG-FQEVSTJZSA-N 367.493 2.412 0 40 FEAB Cc1cc(C(=O)Oc2cccc(S(C)(=O)=O)c2)ccc1N1CCNC1=O 66005180 ZUHQLAORALXTJH-UHFFFAOYSA-N 374.418 2.147 0 40 FEAB Cc1cc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)no1 29245531 CUFPWDYGQZQISF-KRWDZBQOSA-N 352.394 2.447 0 40 FEAB CCOc1ccc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021306 LFBKCYFAPOZPGR-UHFFFAOYSA-N 354.366 2.180 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3ccc(C)cc3C)nc3nonc3n12 5332567 SDLNAKDANHKDLZ-UHFFFAOYSA-N 367.369 2.127 0 40 FEAB CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NC1CC1 5414072 QUKYRQNYWIHQNH-GJZGRUSLSA-N 350.484 2.392 0 40 FEAB biogenic,in-vitro CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccc(F)cc1 12182670 DFXBPQOJLVZVDL-OAHLLOKOSA-N 354.385 2.068 0 40 FEAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C(C)(C)C)CC1 12187188 JIJGPWZXGDKRSL-UHFFFAOYSA-N 371.481 2.359 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 12790738 ABHGHMNIBUVHLV-UHFFFAOYSA-N 359.451 2.182 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2cccc2)cc1 12926544 ZJEGIVLFWIIROW-UHFFFAOYSA-N 361.448 2.116 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c1 19234803 PDAJDLSDIUSNKP-QGZVFWFLSA-N 350.466 2.332 0 40 FEAB CN(C)S(=O)(=O)N1CCCCC[C@@H]2N[C@H](Cc3ccccc3)C[C@@]21C 19713442 ZRLZUSXOHAQJCW-QYZOEREBSA-N 365.543 2.401 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 169680697 ZEJNZVAKHQAOSB-ZNMIVQPWSA-N 353.397 2.378 0 40 FEAB O=C1[C@@H]2CN(c3nc4cnccc4s3)C[C@H]2C(=O)N1c1ccccc1 1888890288 LLADBQSGKHZXQM-CHWSQXEVSA-N 350.403 2.317 0 40 FEAB CCn1cnc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc21 1888922029 LSYCLUHQLMNBGM-UHFFFAOYSA-N 360.425 2.116 0 40 FEAB CC(C)CCC(=O)N[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1c1cnn(C)c1 1282164221 BWWYWHCCFDJWEY-DLBZAZTESA-N 360.502 2.457 0 40 FEAB COc1ccc([C@@H](CNC(=O)Nc2cc(C)on2)N2CCOCC2)cc1 24535590 YODOPGPVAGXFNZ-MRXNPFEDSA-N 360.414 2.187 0 40 FEAB Cn1cc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037980962 OTHOOUFTXINRGK-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 2056214944 GAEJZIOCYKGWFF-UHFFFAOYSA-N 371.481 2.118 0 40 FEAB CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224662 OTUSUPNHAADGMH-UTKZUKDTSA-N 361.530 2.360 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(C=C[C@H](N3CCOCC3)CC2)CC1 1614934286 VITWGHJTUAXXSX-IBGZPJMESA-N 370.497 2.069 0 40 FEAB Cc1cc(C)nc(N2C[C@H]3CN(c4nc(O)c(F)c(C(C)C)n4)C[C@@H]3C2)n1 2086946001 LDPVHWMHTURQSW-KBPBESRZSA-N 372.448 2.424 0 40 FEAB Cn1cncc1C(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087132267 VIKTYTPSERQDMA-FZMZJTMJSA-N 365.359 2.185 0 40 FEAB CCc1nc2c(c(=O)n1CC1CC1)CCN(C(=O)Cc1ccccc1)CC2 1565542014 AXKFRQVEGNNVPI-UHFFFAOYSA-N 365.477 2.386 0 40 FEAB CCOC(=O)CNC(=O)CSc1nc(-c2ccc(C)cc2)ns1 4167374 HHHFUKRICUAKBG-UHFFFAOYSA-N 351.453 2.285 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2nncn2-n2cccc2)cc1 4518472 ZTHOVQXCGSSVHW-UHFFFAOYSA-N 371.422 2.299 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2cccs2)CN1Cc1ccc(F)cc1 9038264 JIEPPCAPBVYPAV-ZDUSSCGKSA-N 368.455 2.214 0 40 FEAB Cc1noc(CN2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)n1 1775970105 BGEDMUMHBRZPTR-UHFFFAOYSA-N 351.410 2.439 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256384 RJRMWXLFCMWAKF-UHFFFAOYSA-N 361.829 2.371 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)cn1C 575622176 XDXALDCOHCWIQL-ZDUSSCGKSA-N 371.528 2.440 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)sc1C 32983750 AIVZPLFHHSJWFH-XXFAHNHDSA-N 350.444 2.199 0 40 FEAB Clc1cnc(N2CCN(Cc3nnnn3C3CC3)CC2)c(Cl)c1 40153615 DJMVUIHNRYFQPH-UHFFFAOYSA-N 354.245 2.032 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116633 DWCFJHXXZBWSLA-MRXNPFEDSA-N 371.359 2.389 0 40 FEAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1cccc(CN2CCCCC2=O)c1 50473553 AFMVZTRFUNLMQT-CQSZACIVSA-N 366.483 2.351 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 31328179 DKJZLFBTIYVQLE-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2C1 40647430 JLDQRSAIARSYMF-UHFFFAOYSA-N 370.474 2.338 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)nc12 101587573 AWCQWAIIMKDLAK-TXEJJXNPSA-N 355.419 2.494 0 40 FEAB Nn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1C1CC1 29868383 XJKFFAUWXLBHTJ-UHFFFAOYSA-N 358.876 2.089 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NC1CC1 7361651 QUVADEMQLVOENG-UHFFFAOYSA-N 360.435 2.453 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102614650 RCWKFRDWFNFKGV-NCOADZHNSA-N 369.396 2.354 0 40 FEAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 33019338 UEUIMKMBBRETSV-MRXNPFEDSA-N 366.483 2.206 0 40 FEAB C[C@@H](NC(=O)CN(C)Cc1ccccc1N1CCOCC1)c1ccco1 16424710 HXCKSEIYJPJIJO-MRXNPFEDSA-N 357.454 2.425 0 40 FEAB CC(=O)Cc1nsc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)n1 12274188 ABSUTDVNRWPMND-UHFFFAOYSA-N 356.411 2.119 0 40 FEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)C1 41629890 YSSXNBJEYVRQBQ-STQMWFEESA-N 372.462 2.047 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cccc(C[S@](C)=O)c2)ccn1 47014625 XBPFOMCYLDQXME-AREMUKBSSA-N 368.462 2.384 0 40 FEAB CCc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 33572716 BXUOETHSISHOHM-FOWTUZBSSA-N 361.426 2.288 0 40 FEAB CC(C)c1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1 979230 ZBOAZCWOTGTFNG-UHFFFAOYSA-N 361.467 2.287 0 40 FEAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3N3CCCN23)cc1 100568192 PIIKMQCNAYVOFR-FHWLQOOXSA-N 363.417 2.231 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1Cc2ccccc2O1 26062164 JEPMWLLCDZGRMS-QGZVFWFLSA-N 358.419 2.070 0 40 FEAB COC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)c1 12680950 AWXFJFLQGMGTLK-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB COc1cccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1 100128178 VLXJLKWPIRIELQ-HUUCEWRRSA-N 356.426 2.475 0 40 FEAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 12610006 BMBXHLMJITVESU-UHFFFAOYSA-N 362.288 2.372 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108532265 BCCFMPCZUMDKDI-ROUUACIJSA-N 357.479 2.188 0 40 FEAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(Cn2cncn2)cc1 58185698 ZUEOHWWQWWDFGS-UHFFFAOYSA-N 366.406 2.368 0 40 FEAB CCN(C(C)=O)c1nc(Cn2c(-c3cccs3)noc2=O)cs1 58191552 KLCRDZYDXCCXQP-UHFFFAOYSA-N 350.425 2.442 0 40 FEAB Cc1nnc(SCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 58163750 VYELVBXEEBVVRE-UHFFFAOYSA-N 358.489 2.018 0 40 FEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cn2)C1=O 58283057 LXDWQPNPFAUJGP-HNNXBMFYSA-N 364.814 2.202 0 40 FEAB CCN1CCN(c2ccc(C(=O)Nc3nnc4ccccn34)cc2F)CC1 58203190 RIFHHZNKZROZKV-UHFFFAOYSA-N 368.416 2.263 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc2ccccn2c1=O 48272342 QHGWSWZEALWIKK-INIZCTEOSA-N 366.421 2.245 0 40 FEAB CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 81523733 ONUIGZFBKXZOQT-UHFFFAOYSA-N 360.377 2.228 0 40 FEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCC[C@H]1CCO 2303315 JZLKIKCXUABCET-AWEZNQCLSA-N 373.453 2.438 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2ccc3c(c2)CCC3)c1=O 10911988 FHQUKPMVCNKYEC-UHFFFAOYSA-N 364.323 2.338 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 48374730 OHTJIOXCAGRDPQ-INIZCTEOSA-N 373.453 2.093 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1 23714382 CJDWRXVNNDXMRN-CQSZACIVSA-N 374.462 2.294 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2ncccn2)CC1 8134467 LDJVWRXTAOTQND-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)N1CCCC1 12983506 YFEYPPYGKMPOSA-UHFFFAOYSA-N 372.494 2.177 0 40 FEAB Cc1cccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 12916510 UQLVMGUACIENKN-CQSZACIVSA-N 354.406 2.373 0 40 FEAB CCc1c(C)sc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1C(=O)OC 13320177 JHNSFEBUHGNGSR-PHIMTYICSA-N 354.472 2.453 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13549570 BHVRTAGZNFRZOQ-JTQLQIEISA-N 360.805 2.132 0 40 FEAB NC(=O)CSc1nn(CN2CCc3ccccc3C2)c(=S)s1 14238561 LSUWBEBRPSGZPX-UHFFFAOYSA-N 352.510 2.267 0 40 FEAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 8746847 MGQBRRDPNLXINI-ZFWWWQNUSA-N 350.484 2.011 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc(O[C@H](C)C(=O)O)c1 67027750 KIMGAWCYWWIMQC-ABAIWWIYSA-N 362.382 2.024 0 40 FEAB COC(=O)c1ccc(OC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 15190926 RJPXDPNGYAMZDF-UHFFFAOYSA-N 374.393 2.023 0 40 FEAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 7744455 YDLCZQPBLHDLQT-BDAKNGLRSA-N 351.852 2.263 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1F 97015821 RNRSNHGTBXJVNG-CYBMUJFWSA-N 352.387 2.071 0 40 FEAB COCCOc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)O)cc1 83911815 MAWIPMGKNJUOMD-UHFFFAOYSA-N 369.370 2.350 0 40 FEAB O=C(CCCC1CCCCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 39985490 NHEDJJSNLWLHSP-QGZVFWFLSA-N 356.532 2.068 0 40 FEAB Cc1ccc2nc(CNC(=O)c3c(-n4cnnn4)sc(C)c3C)[nH]c2c1 524732438 DAPHNVFIJLKULX-UHFFFAOYSA-N 367.438 2.455 0 40 FEAB O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccccc3)cc2[nH]1 70270401 ZNEQKCKVTBSGDU-UHFFFAOYSA-N 368.212 2.420 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 33131343 CNDFQPTVRONGSF-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1 532641903 KIQCTTSMCZXHQX-UHFFFAOYSA-N 364.453 2.044 0 40 FEAB COc1cccc(-c2nnc3nn(C)c(=O)n3c2-c2cccc(OC)c2)c1 72339940 JGHAKNUUYHILCA-UHFFFAOYSA-N 363.377 2.174 0 40 FEAB C[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1ccc(OCC(=O)O)cc1 563889378 SHVHCJCXVCAHJG-OLZOCXBDSA-N 357.410 2.420 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cc1 189822674 VAOHKZYMNYORKF-YOEHRIQHSA-N 368.499 2.052 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217561009 UUIUBLCAPPQPEA-NWDGAFQWSA-N 356.444 2.053 0 40 FEAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 223271653 QXXBFTYGUBZIDT-UHFFFAOYSA-N 362.407 2.241 0 40 FEAB C[C@H]1CCN(c2cc(C(=O)N3CCC(C)(N4CCOCC4)CC3)ccn2)C1 529914035 NXECLUVETMFOHQ-KRWDZBQOSA-N 372.513 2.255 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)c1 1583435111 OQOXZXWAJCQUPK-OAHLLOKOSA-N 367.405 2.023 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc3cccc(Cl)c3oc2=O)CC1 226040490 GUABDSDZYMFKEA-UHFFFAOYSA-N 364.785 2.361 0 40 FEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cc(C)ccn1)C=C2 95473220 BYFLEEQBJJBPKM-UHFFFAOYSA-N 367.405 2.401 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)Nc3cc(Br)ccn3)C2)n[nH]1 333797396 NMUJLWDCELQHHN-VIFPVBQESA-N 351.208 2.292 0 40 FEAB O=C(NCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2N(C2CCOCC2)C1 96038953 VDBJNYUWSFHTIN-KBRIMQKVSA-N 350.484 2.023 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c3c2CCC3)cs1 583622038 FHAGPMQCJDSUHV-AAEUAGOBSA-N 363.462 2.006 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC(c3cc(C)n4nccc4n3)CC2)n1 257245510 IPVSYBMBEIECMO-UHFFFAOYSA-N 352.442 2.257 0 40 FEAB CN(C)C(=O)[C@@H]1CCN(Cc2ncc(-c3ccccc3C(=O)O)s2)C1 257250450 JMORYPVHNGUBQL-GFCCVEGCSA-N 359.451 2.418 0 40 FEAB O=C(NC[C@@]1(O)CCCN(c2ccccn2)C1)C1CCC(F)(F)CC1 257238260 HKEGKWBBWMBVNE-KRWDZBQOSA-N 353.413 2.355 0 40 FEAB CCc1nc2ccccc2c(C(=O)N2CCc3c(ncn(C)c3=O)C2)c1C 622531619 ZZZNESJHLOBCOU-UHFFFAOYSA-N 362.433 2.398 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCCC2)c1)c1cncc(F)c1 593313631 ZFMUEZJAXWFCGD-UHFFFAOYSA-N 364.446 2.475 0 40 FEAB Cc1cnc(N2CCC[C@@H](NS(C)(=O)=O)C2)nc1-c1ccccc1F 645033162 DXOYUDBKDQXYLY-CYBMUJFWSA-N 364.446 2.109 0 40 FEAB O=S(=O)(c1ccccc1F)N1CC[C@@](O)(COc2ccccc2)C1 585275845 KGLFKYYDJVFDTF-KRWDZBQOSA-N 351.399 2.030 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]21 585109457 QVPYHLKDZYCBKE-IKGGRYGDSA-N 374.437 2.433 0 40 FEAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](c2nnc(O)o2)C1 670384186 HKMNKUSQBIJBKW-GDBMZVCRSA-N 373.409 2.353 0 40 FEAB Cc1cc(=O)oc2cc(NCC(=O)Nc3ccc(C(N)=O)cc3)ccc12 58223541 RTULHBSGRBAYFT-UHFFFAOYSA-N 351.362 2.251 0 40 FEAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3)C2=O)c(C)o1 58216280 NMXPRODMLVBPHX-FQEVSTJZSA-N 369.421 2.322 0 40 FEAB CCN(CC)C(=O)CCNC(=O)c1sccc1NC(=O)c1ccncc1 58226576 XBDHNMSEXVUMGN-UHFFFAOYSA-N 374.466 2.384 0 40 FEAB CCOC[C@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 78259603 JUUVMDQMBYLTTB-HNNXBMFYSA-N 353.488 2.023 0 40 FEAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccccn4)C3)nn2c(O)c1C 12134235 BWXKNFHEFGACNW-CQSZACIVSA-N 351.410 2.467 0 40 FEAB CC(C)(C)C(=O)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19365925 QZUIQRACPQHJJM-MOPGFXCFSA-N 360.498 2.376 0 40 FEAB in-vitro CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)[nH]n1 19451893 XBYLRLJYUSDECW-CQSZACIVSA-N 368.485 2.331 0 40 FEAB COC1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CCSCC1 225593691 LKNKPTUGEUVILQ-UHFFFAOYSA-N 371.524 2.051 0 40 FEAB CCCCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1 16849922 RKHWBVGJNAJCRB-UHFFFAOYSA-N 373.453 2.364 0 40 FEAB CN1C(=O)N[C@@H](c2cccs2)C2=C1CN(CCN1CCCCC1)C2=O 35590353 GMDQSFDBQYORKK-INIZCTEOSA-N 360.483 2.026 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223269 BHYCLXIQXSEVNG-IBGZPJMESA-N 352.442 2.098 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056224604 YRLBGEYAKKRWGJ-ROUUACIJSA-N 374.391 2.477 0 40 FEAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2C(C)(C)C)c1=O 4166241 AFTGDAXNZHCDIB-UHFFFAOYSA-N 369.425 2.385 0 40 FEAB Cc1cccnc1NC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4272703 OTMVEMSUGGSLCJ-ZDUSSCGKSA-N 368.393 2.088 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)c(C)n23)n(C)c1=O 4370497 TWWVTVMIBDQODI-UHFFFAOYSA-N 365.437 2.392 0 40 FEAB CCCS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)CC)nn2)cc1 7428230 YKBCOUZTJUBJLN-UHFFFAOYSA-N 369.468 2.089 0 40 FEAB Cn1cnnc1SCc1cc(=O)c(OCC(=O)c2ccccc2)co1 10220381 OMPWLCAJSKKRFY-UHFFFAOYSA-N 357.391 2.322 0 40 FEAB O=C(Cc1ccccc1)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745758 YDTMCUIFPNKMOJ-OAHLLOKOSA-N 353.422 2.031 0 40 FEAB COC(=O)c1cc2c(nc1-c1cccnc1)CCN(C(=O)C1CC1)CC2 2055773025 MBIAWLDASRYGTL-UHFFFAOYSA-N 351.406 2.267 0 40 FEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1ccno1 38561071 YCCMWIWKUKTKNE-LBPRGKRZSA-N 369.468 2.099 0 40 FEAB CC(C)n1nccc1-c1nnc(NC(=O)[C@H]2COc3ccccc3O2)o1 38871596 XDUQSIZXXRBXMH-CQSZACIVSA-N 355.354 2.293 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)NCCc1ccccc1F)C(F)(F)F 40040284 QWCOEVBGDLXHMF-OAHLLOKOSA-N 359.323 2.058 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 40073663 IOBVDEHCOMJVHP-IRXDYDNUSA-N 361.486 2.427 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cccc2c(O)cccc12 40267700 QBLZFZDFOSPMTM-UHFFFAOYSA-N 352.394 2.151 0 40 FEAB NC(=O)c1cccnc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 29525726 SIJBYDMLCIQSLT-UHFFFAOYSA-N 367.405 2.051 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@@H](C)O1 21059217 AMCUGEANMNXYQB-GASCZTMLSA-N 358.486 2.500 0 40 FEAB CCn1nnc2cc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)ccc21 21052019 LOGAUXFGPCDKQZ-OKILXGFUSA-N 359.474 2.069 0 40 FEAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 60392539 PSAZVFSAPDBNNG-UHFFFAOYSA-N 364.398 2.331 0 40 FEAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)CCNC(C)=O 102277090 IUQSLWGCNWIIPC-UHFFFAOYSA-N 372.425 2.012 0 40 FEAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC2CCCC2)cc1 4502625 GWKLAFJVLHRSSV-MRXNPFEDSA-N 355.398 2.456 0 40 FEAB Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)on1 32829767 PYROKOOZCLXYKK-SNVBAGLBSA-N 358.803 2.047 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 4959219 VCKUKYMEKAGRHC-OAHLLOKOSA-N 358.419 2.487 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 7070294 QLMCWEZFSSUPSY-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1c(OC)cccc12 102866263 YGMHFWZWPBFLNT-IGCXYCKISA-N 350.440 2.234 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 102936393 BIERMYQHVPZIBB-OKILXGFUSA-N 357.410 2.067 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 9878684 SFKGLQXZBMZKDH-GOSISDBHSA-N 373.478 2.327 0 40 FEAB COCCn1cc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1 46986715 YXKFIKWNOUDNSN-UHFFFAOYSA-N 371.485 2.488 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H](C)C1 22990683 RCXCLLFEQPTQEZ-RHSMWYFYSA-N 350.484 2.022 0 40 FEAB COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3OC)CC2)cc1 12486548 YKXBMVNXPRVWSY-QGZVFWFLSA-N 372.465 2.266 0 40 FEAB CCCC1(CCC)NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C1=O 3376077 OAOHQRHFGVCGAV-UHFFFAOYSA-N 361.442 2.202 0 40 FEAB O=C(NCCNc1cn[nH]c(=O)c1Cl)c1cccc(Br)c1 58200881 CYTOAZDUQQWMFC-UHFFFAOYSA-N 371.622 2.028 0 40 FEAB O=C(Nc1ccccn1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58208924 DEILYURBYOCFFO-JKSUJKDBSA-N 362.389 2.294 0 40 FEAB CCOc1ccc(/C=C2\NC(=S)N(CCOC)C2=O)cc1OCC 2145974 XSXAWLDGVFQXGU-RAXLEYEMSA-N 350.440 2.188 0 40 FEAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCC(=O)O)c12 2129592 KCPXILCTWDXPRT-GFCCVEGCSA-N 361.394 2.412 0 40 FEAB biogenic CCC(=O)N1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 58312788 PXZZZMOWXDNQOI-KRWDZBQOSA-N 371.481 2.056 0 40 FEAB CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 58393580 HHLKASMKDWXDAB-ZDUSSCGKSA-N 352.429 2.185 0 40 FEAB COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cn1 10991526 AJQFBIVPKPQRHM-UHFFFAOYSA-N 372.406 2.251 0 40 FEAB O=C(c1ccc(Br)o1)N1CCN(Cc2ccncc2)CC1 28693209 ZXQLMROFISSOCX-UHFFFAOYSA-N 350.216 2.395 0 40 FEAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 11500165 WOLJWQFIJODZNR-SCLBCKFNSA-N 371.412 2.098 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 36802830 PVPQCVHYGSJYGV-UHFFFAOYSA-N 365.433 2.020 0 40 FEAB CN(Cc1ccc(Cl)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12977497 CZARGQFYSOSTTC-UHFFFAOYSA-N 371.824 2.392 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408591749 JIKBISGRUJBIRB-AWEZNQCLSA-N 362.451 2.021 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 409063526 BUXIKPBXVZMRTO-UGZWPXFQSA-N 365.363 2.022 0 40 FEAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC(C)C 408708529 JNAUPJNTSNEHCU-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB NC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(C(N)=O)c1 6083194 ATHAWLCQBRYARY-UHFFFAOYSA-N 366.204 2.372 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 14199254 QZUVAEORIFUSOM-NSHDSACASA-N 355.847 2.260 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1 4550979 QPNHSOBPFBSVAQ-VQIMIIECSA-N 365.433 2.378 0 40 FEAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14240954 DMJDXUCFTMSHRC-JTQLQIEISA-N 372.454 2.293 0 40 FEAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC 5478038 CRZMTHXSBVLLDM-UHFFFAOYSA-N 362.455 2.045 0 40 FEAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)O)ccc12 4860544 JDCPRLYIRIIRKP-ABAIWWIYSA-N 359.378 2.198 0 40 FEAB O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccccc1 4969502 XAZOWUWNRVVVDT-UHFFFAOYSA-N 358.379 2.323 0 40 FEAB Cc1cc(C(=O)OCC(=O)N2CCOCC2)c(C)n1Cc1cccs1 7413179 PZUMWKOXBBJAFO-UHFFFAOYSA-N 362.451 2.230 0 40 FEAB Cc1csc(=O)n1CC(=O)OCc1cc(Cl)cc2c1OCOC2 7673420 IAFLJOOYEZCNAZ-UHFFFAOYSA-N 355.799 2.482 0 40 FEAB Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 97013291 IYWJLFPRRYCQTF-LLVKDONJSA-N 371.260 2.162 0 40 FEAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 9114361 ULAHFOZYARPHFO-GFCCVEGCSA-N 351.255 2.235 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3csnn3)cc2)C1 9250845 LGQFSJSGFNFDQY-NSHDSACASA-N 366.468 2.211 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)o1 96005105 FWOSAWQIOKREHS-HNNXBMFYSA-N 363.439 2.338 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 72281024 FUCWZEGZTCYXNG-PKOBYXMFSA-N 372.465 2.398 0 40 FEAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3=COCCO3)C2=O)cc1 96595896 ZKHYMOCBQCPIKR-XNTDXEJSSA-N 374.418 2.036 0 40 FEAB Cc1cc(C)c(CNC(=O)/C=C/c2cc(F)cc3c2OCOC3)c(=O)[nH]1 9606197 NEDMPTGFEVVIET-ONEGZZNKSA-N 358.369 2.327 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OCC2CCCCC2)cc1 72051721 LQAIUQNEVKKRAA-UHFFFAOYSA-N 357.410 2.134 0 40 FEAB CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@@H]1CC(O)=NC1=O 95393479 AWQRBZIBZBNYGJ-CYBMUJFWSA-N 369.425 2.184 0 40 FEAB CCCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244847 GOTXHBNOJFWLTE-UHFFFAOYSA-N 355.504 2.223 0 40 FEAB O[C@H](CN1CCN(C[C@@H](O)c2ccccc2F)CC1)c1ccccc1F 26897790 OHSOZSCGACZDJM-WOJBJXKFSA-N 362.420 2.349 0 40 FEAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 4038989 AUDUOJRQQZETPZ-PFRQMTDMSA-N 362.422 2.196 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)c(OC)n1 72392576 CHLFFWNAGVJDAE-GQWAEJPESA-N 373.428 2.363 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2C)nc(=O)[nH]c1C 31618346 FBARTRNZTDXMQU-UHFFFAOYSA-N 361.423 2.213 0 40 FEAB O=C(c1ccc(Cl)s1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238957085 YBPKQNDUOJJYDM-PHIMTYICSA-N 350.827 2.177 0 40 FEAB O=C(NCCn1cnc2sccc2c1=O)c1ccc(C(F)(F)F)nc1 225810353 FUAQMXUHAQOPMK-UHFFFAOYSA-N 368.340 2.302 0 40 FEAB CCC[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 40157206 XPCJRGXDAGALJS-KRWDZBQOSA-N 360.458 2.104 0 40 FEAB Cc1cc(CN2CCC3(CC[C@@H](C(=O)NCc4ccco4)O3)CC2)no1 96109999 DPCMIDKOGRDXHM-KRWDZBQOSA-N 359.426 2.406 0 40 FEAB COCCn1cnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 96942311 LGHQRFIOBZVQTP-UHFFFAOYSA-N 374.510 2.498 0 40 FEAB O=C(COCC[C@H]1CN(CC2CCCC2)Cc2ccnn21)N1CCCC1 247727083 DDQLTMOERIYIHQ-IBGZPJMESA-N 360.502 2.459 0 40 FEAB CCc1cc(CNC(=O)C[C@@H]2CCCN(C(=O)c3ccn(CC)n3)C2)on1 257204437 AUPOJHDBTSXVLF-AWEZNQCLSA-N 373.457 2.012 0 40 FEAB CO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(N(C)C)nc2)cs1 585082799 LDRCWLJQOCSDSV-LLVKDONJSA-N 370.500 2.132 0 40 FEAB CCn1cc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 257206369 BDBGVDHWNRAYQH-GOSISDBHSA-N 357.458 2.195 0 40 FEAB CN1CCC(n2cc(NC(=O)c3cccc(-n4ccnc4O)c3)cn2)CC1 634096263 LPABPAIRMQQVFH-UHFFFAOYSA-N 366.425 2.293 0 40 FEAB O=S(=O)(CC[C@@H]1CCc2ccccc21)N1CCC(Cn2ccnn2)CC1 641395395 XNIMVLCBSXNAGS-SFHVURJKSA-N 374.510 2.440 0 40 FEAB Cn1cnc2c1CCN(C(=O)CN[C@H](c1ccccc1)C(F)(F)F)C2 673654091 GJOUEGRCGIRNIR-MRXNPFEDSA-N 352.360 2.198 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 602917472 DBLSZQLFDAMZDV-LYRGGWFBSA-N 369.412 2.255 0 40 FEAB O=C(c1nc2ccccc2s1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122061 BECRRSCPNRFRLW-UHFFFAOYSA-N 362.432 2.329 0 40 FEAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 575405832 JRQYBZNWRIZZJI-CQSZACIVSA-N 354.401 2.070 0 40 FEAB O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47647267 RXEQZNPBDMWDNU-IBGZPJMESA-N 352.434 2.232 0 40 FEAB Cc1nnc(NC(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)s1 47938744 HUEGVNLOTSTSBC-UHFFFAOYSA-N 369.491 2.022 0 40 FEAB O=C(NCCN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F 58201602 JAPAHLAWLUPNEI-GOSISDBHSA-N 373.403 2.304 0 40 FEAB COc1ccccc1[C@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 638473261 IZOXNPBMYPEYPI-KRWDZBQOSA-N 354.454 2.367 0 40 FEAB O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@@H]1COc2ccccc2O1 5169114 UXQWJRSYMGGILC-CYBMUJFWSA-N 373.430 2.350 0 40 FEAB COc1ccc(C)cc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12952215 IQYIUWXLMGKDGJ-UHFFFAOYSA-N 373.434 2.071 0 40 FEAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCCCC1 13266778 AFNVZDQGMQKKAD-UHFFFAOYSA-N 356.451 2.320 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 15762518 DAVXQZKUTAKMAV-LLVKDONJSA-N 366.439 2.462 0 40 FEAB CC(C)(C(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1)n1cncn1 19080930 YNTAUAQYWYQAQX-QGZVFWFLSA-N 359.449 2.496 0 40 FEAB Nc1c(C(=O)C2CCN(C(=O)c3ccno3)CC2)cnn1-c1ccccc1 19374463 WEMMTCWTWRUPNB-UHFFFAOYSA-N 365.393 2.178 0 40 FEAB Cn1cc([C@@H]2[C@@H](CNC(=O)c3cncc(F)c3)CC(=O)N2C(C)(C)C)cn1 616779223 ANJCZHSVPRXZFS-PXAZEXFGSA-N 373.432 2.072 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 579706162 ZQNACOQJZOTSIQ-IBGZPJMESA-N 373.430 2.346 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCCC2)c1 5938516 DGORQYRGWUKZLE-UHFFFAOYSA-N 353.488 2.142 0 40 FEAB Cc1noc(C)c1CC(=O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888878948 LWJNVRFGVBMZLH-AUUYWEPGSA-N 374.416 2.471 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2SC)nn1 1888920871 OVCJKHDCGUPTBO-HNNXBMFYSA-N 373.438 2.180 0 40 FEAB COc1ccc([C@@H](CC(=O)Nc2ccc(N(C)C)nc2)NC(C)=O)cc1 24114942 QXMYRRFGMYEOLV-QGZVFWFLSA-N 356.426 2.362 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)[C@H]1Cc2ccccc2O1 24660495 ZVYYFKZCDUAFAA-SJLPKXTDSA-N 368.458 2.208 0 40 FEAB Cn1cccc1[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)N1CCCC1 11846996 UKWICCFUTVPFEC-GOSISDBHSA-N 365.474 2.421 0 40 FEAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)c(F)c2)C1 2055747291 WAELNXQXQFWEKH-IAOVAPTHSA-N 374.391 2.373 0 40 FEAB O=C(CN1CCN(c2ccccc2)C1=O)NC[C@@H]1Cc2ccccc2CO1 225786235 YXEJPEIQPRDOAZ-IBGZPJMESA-N 365.433 2.186 0 40 FEAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cnccn2)n1C 2399386 NBTVKNTUJWQPBF-UHFFFAOYSA-N 370.438 2.320 0 40 FEAB CN1CCN(CCNc2cncc(-n3cccn3)n2)[C@H](c2ccccc2)C1 40153590 JHARHYJMRZTMLT-SFHVURJKSA-N 363.469 2.063 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc(C(=O)O)c1 100216101 OJOOHJOLGXYNRB-COPLHBTASA-N 371.422 2.239 0 40 FEAB O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ncc(-c2ccccc2)[nH]1 51410593 UMQVUYMIINZQPR-UHFFFAOYSA-N 370.359 2.401 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 101869094 OGISUJLMBGULDJ-SDDRHHMPSA-N 362.455 2.015 0 40 FEAB COc1cccc(C(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)c1 1359154 ZJPVETYGMMXXOT-UHFFFAOYSA-N 366.417 2.480 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101913386 XGUCGICGJHWRSH-USJZOSNVSA-N 352.390 2.025 0 40 FEAB O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 7967591 DCCDLEFPPIGIJH-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB Cn1c(SCC(=O)NC2CCCC2)nnc1[C@@H]1COc2ccccc2O1 8734498 AXCOFVUMUJTCNH-HNNXBMFYSA-N 374.466 2.479 0 40 FEAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 7931069 SBGPRHOQTMPFHX-NSHDSACASA-N 357.366 2.076 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1cccs1 32900562 SSXWMACGWSSSNQ-HNNXBMFYSA-N 370.434 2.422 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1 9737417 BZRZZYLHTVKVCS-UHFFFAOYSA-N 356.350 2.448 0 40 FEAB O=S(=O)(c1cccc(CN2CCc3ccccc3C2)c1)N1CCOCC1 22240587 OKZDADLQVTXKFB-UHFFFAOYSA-N 372.490 2.266 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)c1C 8024948 VKSKGZAFUWQPQY-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccc2c(c1)OCO2 100128089 GSPZMMKGIXQKHQ-GJZGRUSLSA-N 370.405 2.461 0 40 FEAB O=C(O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)O)cc2)cc1 3172940 SZXYEHVLWAFWJJ-ROUUACIJSA-N 360.318 2.240 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1 1016091 WMMBPQLAFUJRPG-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn2cc(Cl)ccc2n1 12559125 ZWHMONWHBNFWEM-UHFFFAOYSA-N 362.842 2.198 0 40 FEAB CC(=O)c1ccc(N2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1 23814345 VGJXNUMQYBPPQN-UHFFFAOYSA-N 372.490 2.485 0 40 FEAB COc1ccc(NCC(=O)N(C)CC(=O)NC(C)(C)C)cc1OC(F)F 50782861 MKNPELMCFKTXIN-UHFFFAOYSA-N 373.400 2.082 0 40 FEAB Cc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ncn1 1286596 WRCRAXVXDLDAKX-UHFFFAOYSA-N 369.450 2.314 0 40 FEAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1 25378220 JQWPINYJOFFUHU-HNNXBMFYSA-N 358.446 2.093 0 40 FEAB CCCOC(=O)[C@H](CC)n1cnc2sc(C(=O)OC)c(C)c2c1=O 1784717 PPPGAOKYVPYNKT-JTQLQIEISA-N 352.412 2.457 0 40 FEAB CC(C)NC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 25905660 OUZLFNSSXWXMGD-UHFFFAOYSA-N 369.425 2.366 0 40 FEAB CCCN(C(=O)c1csnn1)C1CCN(c2cc(C)nc(C)n2)CC1 114397165 SDCRDUMVEZOHEZ-UHFFFAOYSA-N 360.487 2.466 0 40 FEAB CNC(=O)c1nn(CCOc2c(C)cccc2C)c(=O)c2ccccc12 58171893 HEXYQUFBJSNPHM-UHFFFAOYSA-N 351.406 2.452 0 40 FEAB COc1cccc(N(C)S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 58264361 FAJSWEZAPNZSAO-UHFFFAOYSA-N 358.423 2.160 0 40 FEAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 44903492 VLTIBDNKLOLYEW-UHFFFAOYSA-N 367.327 2.406 0 40 FEAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C[C@@H]2CCCO2)cc1 2210481 PQSXCJSOEQPHAO-HNNXBMFYSA-N 353.422 2.193 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1 12758700 OMNXFANQZMOWOG-UHFFFAOYSA-N 366.464 2.300 0 40 FEAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)NC(=O)NC1CC1 12884436 KOTMHFHOWPHPJU-OFFHKIPUSA-N 353.378 2.168 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 3600862 NEAHQRSBMDLARX-HXUWFJFHSA-N 355.438 2.029 0 40 FEAB COc1cccc(CCC(=O)Nc2nc(CC(=O)O)cs2)c1OC 13406656 QTLLNEDXZYVYRY-UHFFFAOYSA-N 350.396 2.359 0 40 FEAB COc1ccc(OC)c(-c2cc3ccc(OCC(N)=O)cc3oc2=O)c1 4084244 MQWUHKOFNVETJI-UHFFFAOYSA-N 355.346 2.341 0 40 FEAB biogenic CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(I)cc1 49452393 BZVLZHWVXDHQQT-ZJUUUORDSA-N 374.222 2.324 0 40 FEAB CSc1cccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)c1 5035256 HMUXWFFYHVUJNV-UHFFFAOYSA-N 365.418 2.405 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)c1 6236328 BDJVREJPABFHRO-UHFFFAOYSA-N 350.484 2.327 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H]1CC=CCC1 6291103 PDUXHOFSDDOUHR-SECBINFHSA-N 353.396 2.303 0 40 FEAB O=C(OC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 69534326 IOXNEYBINNFGMS-CQSZACIVSA-N 355.346 2.412 0 40 FEAB CC1CCN(C(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 21689737 PYPFYBHCURACRD-UHFFFAOYSA-N 374.466 2.275 0 40 FEAB COc1ccc(/C=C/C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4505014 KEVANGKAHCYNTL-FSNWXROXSA-N 351.468 2.380 0 40 FEAB Cc1nn(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c(=O)c2ccccc12 4745439 HNXCRKPWVNMMFO-UHFFFAOYSA-N 362.433 2.082 0 40 FEAB Cn1ncc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1C(F)F 66606993 HSNCLOQZQJZGSJ-NSHDSACASA-N 355.366 2.006 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc(O[C@@H](C)C(=O)O)c1 67027748 KIMGAWCYWWIMQC-NHYWBVRUSA-N 362.382 2.024 0 40 FEAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 4952274 CCAAPOQDZMRXPJ-JTQLQIEISA-N 359.334 2.314 0 40 FEAB COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 7216200 NXCLJEHSSROAEG-UHFFFAOYSA-N 362.451 2.482 0 40 FEAB COc1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1Cl 9316842 UCWQVOQHFRGHPB-UHFFFAOYSA-N 353.806 2.398 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1cccs1 9337067 FAUAIFATLAZSHY-MNOVXSKESA-N 363.464 2.053 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)C1 9704765 DFRVAAYAORHTCN-CQSZACIVSA-N 357.406 2.446 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)CC2 78875316 OIRNOEGHQADULY-IAGOWNOFSA-N 374.437 2.427 0 40 FEAB COc1ccc2nnc(CCCC(=O)NCc3ccccc3Cl)n2n1 72401331 JCRGBDKYKVGNRC-UHFFFAOYSA-N 359.817 2.425 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)cc1 95481772 SLJDESQNRKUVOR-UHFFFAOYSA-N 362.382 2.389 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999137 IADSMKRIZAXTSU-KRWDZBQOSA-N 371.462 2.079 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408607088 PZKJNRYKVYRXSS-UHFFFAOYSA-N 356.488 2.402 0 40 FEAB Cc1cc(=O)c(O)c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1 71279195 GEVMHAISLHXWHH-UHFFFAOYSA-N 369.343 2.390 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218601494 AUAADPZMOFNVLH-LNLFQRSKSA-N 359.447 2.218 0 40 FEAB CCn1ncc(Br)c1C(=O)N1CCCN(CC2CC2)CC1 72254187 SFLGRMPZNYFEIJ-UHFFFAOYSA-N 355.280 2.223 0 40 FEAB Cc1cc(N2CCC(C(=O)NC3CCCCCC3)CC2)n2ncnc2n1 35311999 OIRIEMVNXLBTNA-UHFFFAOYSA-N 356.474 2.488 0 40 FEAB O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 180165396 CFFIWECHPWKFJK-GUYCJALGSA-N 374.391 2.303 0 40 FEAB Cn1c(=O)oc2c(C(=O)NCC3CCN(CC(F)(F)F)CC3)cccc21 189259989 KBEHRQAMFRYANV-UHFFFAOYSA-N 371.359 2.136 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc(Cl)cc2)c1C 71279756 CLSSCBHCQRCLES-UHFFFAOYSA-N 350.802 2.474 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 222825160 OXVFZWBJGRSVHK-OAHLLOKOSA-N 356.422 2.237 0 40 FEAB C[C@H]1CN(C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc2O1 567844730 BXSOYMZMECGGGL-ZDUSSCGKSA-N 359.451 2.336 0 40 FEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCC1 224343080 LRTIQJKSYLOUHO-UHFFFAOYSA-N 366.483 2.156 0 40 FEAB Cn1nnc(-c2ccc(C(=O)NC3(CN4CCCC4)CCCCC3)cc2)n1 97813668 IBESIFMCVTVPRC-UHFFFAOYSA-N 368.485 2.406 0 40 FEAB CC1=C[C@@H]2C(=O)NC(CSCC(=O)Nc3ncc(C)s3)=N[C@@H]2S1 94992933 XCRYPPHAVPXVBF-NOZJJQNGSA-N 368.509 2.244 0 40 FEAB CCn1cnc2c(N3CCN(c4ncnc5ccsc45)CC3)ncnc21 266215461 GXGJIMCYTKKHNY-UHFFFAOYSA-N 366.454 2.178 0 40 FEAB O=C(C[C@@H]1C=CCC1)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044454 QRWJZXJPDWDFMX-QAPCUYQASA-N 359.470 2.396 0 40 FEAB CO[C@@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)C1CC1 331780561 AJLUCMZFOVWJIF-SFHVURJKSA-N 368.499 2.099 0 40 FEAB Cn1cnnc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 331808997 DLZSVFGTVXGBOK-UHFFFAOYSA-N 353.835 2.021 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccccn4)C3)OCC2=O)s1 96051467 RJFCYSAPNNJTPW-IBGZPJMESA-N 373.478 2.086 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 249685406 FSPNHVZNMKCFNL-AVGNSLFASA-N 350.440 2.329 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382608 UMEQMMQEFRXSEK-UAFMIMERSA-N 359.514 2.424 0 40 FEAB biogenic,in-vitro Cc1cc2nc([C@@H]3CCCCN3S(=O)(=O)c3cccnc3)ccn2n1 257310001 UDHNGUATJPIRLM-INIZCTEOSA-N 357.439 2.349 0 40 FEAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)C(C)(C)N1CCOCC1)C2 643365524 RGRTXHQVIRGSFP-UHFFFAOYSA-N 362.470 2.306 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1CCc2ncncc2C1 648246166 UJAWGEJSNKJXBJ-CYBMUJFWSA-N 350.422 2.421 0 40 FEAB CC[C@H](NC(=O)C1(c2ccccc2F)CCCC1)C(=O)N1CCOCC1 674531841 YYALDNYLMHGSET-KRWDZBQOSA-N 362.445 2.391 0 40 FEAB Cn1cc([C@@H]2CN(CC3CCC(=O)CC3)C[C@H]2C(=O)N2CCCCC2)cn1 1775960455 MNSYVMAQQGBAMM-VQTJNVASSA-N 372.513 2.207 0 40 FEAB CO[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CC[C@@H]1Cc1ccccc1C 585278361 CRBCILNPJLPZHL-MJGOQNOKSA-N 354.450 2.414 0 40 FEAB Cc1cccc(OC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C2)c1 585272677 POCUWITZWPOXIB-NRFANRHFSA-N 357.450 2.382 0 40 FEAB Cc1ccc(OC[C@]2(O)CCN(C(=O)CCc3c(C)n[nH]c3C)C2)cc1 585272661 PCOQULWDYCGGJR-FQEVSTJZSA-N 357.454 2.310 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 43948660 LFTAFURTKCJYLZ-LPHOPBHVSA-N 372.494 2.305 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCc3ccccc3C2)cc1 58247460 BQRPTROFAPRSMT-SFHVURJKSA-N 370.474 2.166 0 40 FEAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccco1 75165327 ZBNFNGJEBSTWES-UHFFFAOYSA-N 358.320 2.177 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2nc3ccc(F)cc3s2)CC1 641558822 ZXUWGOKUQDYQAG-UHFFFAOYSA-N 355.460 2.440 0 40 FEAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C)C(=O)O 2287580 QVZGIXXEDINKGE-OPCAMPFDSA-N 368.389 2.055 0 40 FEAB CCn1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)n1 12122079 DBOHJCOJBYZGNS-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB COc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(C)n1 12223930 JKDIVDHHFVUCOH-UHFFFAOYSA-N 363.368 2.426 0 40 FEAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1cccc(F)c1F)CC2 19292755 ONCGJCXLUFVMSY-UHFFFAOYSA-N 355.348 2.063 0 40 FEAB O=C(C[C@@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406942 YRTKBHNEXJIKMG-XDQVBPFNSA-N 369.416 2.076 0 40 FEAB CCCc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)OCO2 19525464 FNXBHEMWCBRFLL-IBGZPJMESA-N 373.409 2.027 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)s1 19560027 CWPOVAKBOCWNMX-CYBMUJFWSA-N 358.467 2.283 0 40 FEAB O=C(c1cccs1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583279 YQUZYLGJTXJWNY-UHFFFAOYSA-N 357.483 2.491 0 40 FEAB C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 5369571 ZORQMBLUMWNJEQ-PXOUGSPUSA-N 368.451 2.056 0 40 FEAB biogenic C[C@@H](NC(=O)c1cc2ncccn2n1)C1CCN(CC(F)(F)F)CC1 632666855 GJOQLBXQANUSPY-LLVKDONJSA-N 355.364 2.122 0 40 FEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3ncnc4n[nH]cc34)C2)nn1 1888876167 WVPPYZWVIXOQTK-GFCCVEGCSA-N 353.430 2.346 0 40 FEAB O=C(Cc1ccccc1)NCCn1nc(-c2ccc(F)cc2)ccc1=O 9660877 YKXQKNRBLDWRFX-UHFFFAOYSA-N 351.381 2.408 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](S(=O)(=O)c1ccc(F)cc1)C(=O)N2 12437998 WEWJRENGVXIYOJ-LESCRADOSA-N 361.394 2.380 0 40 FEAB COc1cccc(CN2CCCn3cnc(Cn4nncc4C)c3C2)c1 2055714479 BXHGVLIGUUFZQZ-UHFFFAOYSA-N 352.442 2.246 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cn1 206703270 KGHBTOPGJSIDGD-LJQANCHMSA-N 371.462 2.273 0 40 FEAB O=C(/C=C/c1cccs1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003581 QCQTZLASFFRRSL-ZZXKWVIFSA-N 354.497 2.082 0 40 FEAB O=C(N1CC(n2cc(C3CC3)nn2)C1)C1(c2ccccc2)CCOCC1 585149156 IUBHBQBAMGXRTQ-UHFFFAOYSA-N 352.438 2.287 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 12565663 XUIWVCFZTBMYSG-SOIKWTOOSA-N 369.465 2.161 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(Nc2ncccn2)c1 40068025 ZEQVLLCGQVFCOI-UHFFFAOYSA-N 365.393 2.202 0 40 FEAB COC(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 40040569 QFYFYPYBZLJWBW-UHFFFAOYSA-N 366.417 2.355 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4F)[C@@H]3C2=O)cc1 101417980 CGUCNCOMZOPFPP-HOTGVXAUSA-N 354.341 2.328 0 40 FEAB C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(N)=O 2623049 LACLNNCVVPAPTP-SECBINFHSA-N 367.452 2.295 0 40 FEAB C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 2633043 RVVFEISEXJUCPQ-KDOFPFPSSA-N 365.433 2.090 0 40 FEAB CCOC(=O)[C@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 1840117 OBCVGBRLAUAQIP-LJQANCHMSA-N 355.390 2.193 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 2616210 MOVXAFKSRWGBBY-OUKQBFOZSA-N 366.464 2.350 0 40 FEAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4150397 YQWKRGOHBLTSRA-DTVLGXAZSA-N 360.435 2.187 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(C)n2Cc2ccco2)s1 4877436 IQUOWBYEQRZDIC-UHFFFAOYSA-N 350.429 2.119 0 40 FEAB Cc1nn(Cc2ccccc2F)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 6921035 CQBLOZUFRJLKEU-WNKDZCFJSA-N 369.396 2.354 0 40 FEAB COc1cccc(NC(=O)[C@H](N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 33040183 HWCZDAUXYPIGGN-SJLPKXTDSA-N 374.462 2.152 0 40 FEAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1 9939391 KCBMQZIWDVHSDA-OLZOCXBDSA-N 370.858 2.140 0 40 FEAB CCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccccc1 54143514 HSIQHXJHHQBWII-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB Cc1ccccc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 3089131 WMLFSVICYOCFIM-MRXNPFEDSA-N 355.394 2.104 0 40 FEAB Cc1cccc(-n2nnc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c2C)c1 54152342 ILNMZNGYXDPIBF-UHFFFAOYSA-N 363.377 2.467 0 40 FEAB Cn1c(=O)n(CC(=O)Nc2nc(-c3cccnc3)cs2)c2ccccc21 12586985 MYVFHMIZZGLEEA-UHFFFAOYSA-N 365.418 2.497 0 40 FEAB COc1ccc(C(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 101655182 WWWDAHVNLIIAGH-UKRRQHHQSA-N 354.406 2.125 0 40 FEAB COc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)cc1OC 56181961 DGSQEVWAADAFCI-QWHCGFSZSA-N 351.447 2.225 0 40 FEAB CCOC(=O)N1CCCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 58175722 RNXCBLWWNNLQFQ-UHFFFAOYSA-N 372.425 2.185 0 40 FEAB Cc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2151953 KENZNGGRMGTOEI-KZNAEPCWSA-N 354.450 2.016 0 40 FEAB biogenic C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1 36744389 JHQSEJFSAFVAIX-LBPRGKRZSA-N 365.455 2.217 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 48364388 HMCJBSDSYRJNDS-AWEZNQCLSA-N 359.426 2.272 0 40 FEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)OCO2 8274282 HQBGAYSIULYNQH-OAHLLOKOSA-N 352.346 2.322 0 40 FEAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NCc1ccc(F)cc1 3413234 ZZKANAOTXJNJBA-XBXARRHUSA-N 357.337 2.427 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 5224051 AGMXQYKTOYVBPF-VBQJREDUSA-N 364.442 2.272 0 40 FEAB COc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1Cl 5246300 ZXPQTCCZEDRARJ-UHFFFAOYSA-N 358.785 2.482 0 40 FEAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(C2CC2)on1 27614924 FZJRNNMXFXKHFV-UHFFFAOYSA-N 358.417 2.243 0 40 FEAB CC(C)CN(Cn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 14135097 FWNPXOLKDOLOFX-CYBMUJFWSA-N 372.874 2.351 0 40 FEAB NC(=O)NC(=O)CCSc1nnc(-c2ccco2)n1Cc1ccccc1 14252850 QACDJFIIGLZNAP-UHFFFAOYSA-N 371.422 2.264 0 40 FEAB COc1ccc(C(=O)[C@H](C)OC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5416076 CZLHVFAXRBNENZ-LBPRGKRZSA-N 366.373 2.370 0 40 FEAB Cc1ccc(C)c(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)c1 27984685 BJBUGGXHMQZGOB-AWEZNQCLSA-N 363.435 2.392 0 40 FEAB CC(C)(C)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 7037976 MXZKCHBWKZKTQJ-UHFFFAOYSA-N 359.451 2.420 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842590 LHRPHAAVEOWFFB-UHFFFAOYSA-N 374.418 2.404 0 40 FEAB CCC[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 7687721 JMNNPRLBPNTHKO-ZDUSSCGKSA-N 370.471 2.091 0 40 FEAB COc1cccc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)c1 9059557 JOTIZIXAOMRXBU-UHFFFAOYSA-N 352.398 2.217 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@@](C)(CO)C3CC3)s2)cc1 96007195 IOEQDMFEQIATCX-SFHVURJKSA-N 360.483 2.027 0 40 FEAB O=C(CSc1ncn[nH]1)NC(=O)Nc1ccc(Br)cc1 9314026 YOYNNPCVHZWUMH-UHFFFAOYSA-N 356.205 2.008 0 40 FEAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1 9321140 YDVOMELJAYRGSD-UHFFFAOYSA-N 362.389 2.381 0 40 FEAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 72406120 OHVZWRXTWHYQKQ-SJCJKPOMSA-N 361.833 2.083 0 40 FEAB O=C(O)COc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 95363283 OLIOWBLNZHPYAL-UHFFFAOYSA-N 362.407 2.360 0 40 FEAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 74682560 UUCNEZRLNKOPKB-IAGOWNOFSA-N 357.454 2.089 0 40 FEAB COc1cccc(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 38643358 XIUQWTMPBRENHZ-QGZVFWFLSA-N 360.479 2.489 0 40 FEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408589772 FLOQZZWDJTYAPA-ZDUSSCGKSA-N 356.488 2.303 0 40 FEAB Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(C)o1 548007698 VQHSUZOZVFAWSJ-OLZOCXBDSA-N 367.427 2.355 0 40 FEAB CCOc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)NC(C)C 408700489 GUSROOKMOCMLRF-UHFFFAOYSA-N 354.472 2.444 0 40 FEAB CCOC(=O)Nc1cccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1 36390020 LVYRPGSSDHNXAU-RRFJBIMHSA-N 363.458 2.483 0 40 FEAB CCOC(=O)N1CCN(C(=O)CSc2ccc(OC)c(OC)c2)CC1 38754064 UAHWVBKKWDKGAC-UHFFFAOYSA-N 368.455 2.097 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218410860 QQPZBFLRJJWFDG-RTBURBONSA-N 360.475 2.468 0 40 FEAB Cn1nccc1C(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 72384219 LVURKCZHSYKKIR-UHFFFAOYSA-N 364.409 2.417 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1OC 32964120 AWHPUVPKTGLEMG-ACJLOTCBSA-N 364.467 2.116 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nccs1 71334564 KEQLJDXWABZTCV-CYBMUJFWSA-N 359.455 2.002 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cnc(Cc3ccccc3)nc2C)CC1 225795151 ZHNQBCGVQHRJQH-UHFFFAOYSA-N 368.437 2.290 0 40 FEAB CN(C(=O)[C@@H]1OCCc2ccccc21)C1CCN(CCn2cccn2)CC1 133032115 JZOQHRDEESNYEY-HXUWFJFHSA-N 368.481 2.120 0 40 FEAB COc1ccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 223649231 VQQBLSKAMDHCRT-UHFFFAOYSA-N 354.472 2.158 0 40 FEAB Cn1cccc1-c1noc(CNC(=O)c2ccc(Br)o2)n1 225767188 IXAZZCKJSRRICA-UHFFFAOYSA-N 351.160 2.361 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)CC(F)(F)F)CC2)c2ccccc21 96241388 MEWXQZPQZJNBFO-UHFFFAOYSA-N 370.371 2.492 0 40 FEAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036762 HNSMFSHAAZNZKR-QGZVFWFLSA-N 372.469 2.138 0 40 FEAB Cc1nc2c(c(N(C)C[C@@H]3C[C@H](F)CN3Cc3cnn(C)c3)n1)CCCC2 330110780 QSOVLYKEJUJWPG-IRXDYDNUSA-N 372.492 2.446 0 40 FEAB CCNC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96143279 IBAQWVNUINYJCO-GOSISDBHSA-N 365.499 2.368 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 247961886 YCHMZNCWTCHJNK-HNNXBMFYSA-N 359.422 2.258 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccnn2C)c2ccccn2)CC1 257233241 GOJYFXHNFDYBRB-BXWFABGCSA-N 369.469 2.229 0 40 FEAB COc1cc(Cl)cc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)oc12 257233339 GOWFZCCLBVUDIF-LALPHHSUSA-N 353.802 2.441 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3c(C)oc4c3CCCC4)CCO2)n1 257228175 FSQWJKKLVCIEPE-OAHLLOKOSA-N 357.410 2.485 0 40 FEAB CCc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 257235416 GXTAOKQSAWFFFB-HXUWFJFHSA-N 354.454 2.143 0 40 FEAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ccccc2C(=O)O)n1 257237630 HHJNWBLQYFYJAL-KRWDZBQOSA-N 354.410 2.148 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)c(C)c1 85560338 LACNPOMHKCPMGP-IBGZPJMESA-N 361.463 2.202 0 40 FEAB O=C1NCCCN(C(=O)c2scc3c2OCCO3)[C@H]1Cc1ccccc1 653851322 LVPNIEIOCMHUMD-AWEZNQCLSA-N 372.446 2.093 0 40 FEAB Cn1cc(N2CCC[C@H](N3CCC(CCCn4ccnc4)CC3)C2=O)cn1 679952953 ORNBUXZOBYWDHV-IBGZPJMESA-N 370.501 2.304 0 40 FEAB Cc1cccc(OCCC(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)c1C 1775960073 QUVKLXNWYPOMJZ-NVXWUHKLSA-N 358.442 2.222 0 40 FEAB CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Cc1ccccc1F 1615551134 ZJEBYLKCBKRJBB-LSDHHAIUSA-N 352.406 2.119 0 40 FEAB O=C(O)[C@@H]1CCN(C(=O)CN2Cc3ccccc3C2=O)c2ccccc21 669435744 QBONUNWHBLYXII-MRXNPFEDSA-N 350.374 2.248 0 40 FEAB COc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCCCN1C)CC2 585111566 WLGPUBQDZMFOOK-QGZVFWFLSA-N 368.481 2.428 0 40 FEAB CCc1ccc(CNC(=O)COc2cccc(S(C)(=O)=O)c2)s1 53189145 YIHFCZSZWYRBJT-UHFFFAOYSA-N 353.465 2.409 0 40 FEAB CN(C)S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96000632 DODLOPLQTIVJJG-AWEZNQCLSA-N 350.444 2.460 0 40 FEAB Cn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccccc4F)CC3)ccc21 12240575 AAXSYJJKUFSTSE-UHFFFAOYSA-N 369.440 2.500 0 40 FEAB O=C(O)CNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 12409543 PTAOZOVTACTSEC-UHFFFAOYSA-N 360.313 2.452 0 40 FEAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1ccccc1)S(C)(=O)=O 13711515 YHCUPMAKFQYXAM-INIZCTEOSA-N 356.488 2.163 0 40 FEAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1 15923716 OGEPKWLCRPZKFC-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB CC(C)c1cc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)on1 19453027 DZFFQPONIWHFGN-UHFFFAOYSA-N 371.441 2.060 0 40 FEAB CNc1cc(CNC(=O)Cc2ccc(OC)cc2)nc(-c2ccncc2)n1 19592324 KYHMIJFZEZQQTB-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB CCn1c(NN)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19882284 RTNLMWHIMSZIRB-UHFFFAOYSA-N 355.467 2.322 0 40 FEAB O=C(N1CCn2nc3c(c2C1)CCC3)C1(c2ccccc2)CCOCC1 253472272 LDTCNIMITKWWAF-UHFFFAOYSA-N 351.450 2.462 0 40 FEAB C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 678355457 KQFUIFYQXOTFAC-HLLBOEOZSA-N 370.453 2.367 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2nncn2C)c1 22556610 QWZMHUMZKIHCSI-MNOVXSKESA-N 350.444 2.190 0 40 FEAB O=C([C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1)N1CCSCC1 1888853090 IKXQDXBTWYLUTA-OAHLLOKOSA-N 374.428 2.482 0 40 FEAB COc1ccc2sc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc2c1 1889149055 NZCPUNMLUHILBA-LLVKDONJSA-N 367.496 2.356 0 40 FEAB CC(C)n1nccc1NC(=O)CN1CCN(CCOc2ccccc2)CC1 25923190 AIUPVYWPVHULBX-UHFFFAOYSA-N 371.485 2.099 0 40 FEAB Cc1nocc1C(=O)N1CCCn2cnc(C(=O)NCC(C)(C)C)c2C1 1565554838 GTZWIOBTSITYTO-UHFFFAOYSA-N 359.430 2.002 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1N 4585944 JLWRWZPGRSLVAV-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB O=C(NCCCn1ccnc1)c1nc(-c2ccc(Br)o2)no1 4626015 XNTIPTAXDGRIAD-UHFFFAOYSA-N 366.175 2.109 0 40 FEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(Cl)cc1 4941297 ULCAAMDOCOSDIZ-CQSZACIVSA-N 352.818 2.471 0 40 FEAB CN(CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 5123254 MWOZCTNXJZQAAZ-SFHVURJKSA-N 366.465 2.223 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)NCC4CC4)c3C2)cc1 2055772896 SEUWBMDOAXASCZ-OAHLLOKOSA-N 353.422 2.410 0 40 FEAB COc1cccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCN(C)CC2)c1 220971580 GNSALEMKKMIQOY-UHFFFAOYSA-N 369.421 2.398 0 40 FEAB CCN1CCN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC1 13010634 HHOWQECDSHBVNY-UHFFFAOYSA-N 353.405 2.444 0 40 FEAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc2nsnc2c1 85560899 SOIKEFDBFPIITG-AWEZNQCLSA-N 357.391 2.274 0 40 FEAB Cc1ccc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2n1 1645169 CBKMGNZRPVFMMI-UHFFFAOYSA-N 369.859 2.484 0 40 FEAB C[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 32818431 HYOFGRAHLSENJI-LBPRGKRZSA-N 374.359 2.401 0 40 FEAB O=C(NCCc1ccc(F)cc1)c1sccc1S(=O)(=O)NC1CC1 32855920 PDPURVOUACMBMU-UHFFFAOYSA-N 368.455 2.300 0 40 FEAB Nc1nc(N)c2c(n1)CC[C@H](S(=O)(=O)c1ccc3ccccc3c1)C2 6162683 RVGOYYJACXCEJO-AWEZNQCLSA-N 354.435 2.125 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc(F)c1 6625045 CJIOTEVBDHGQRC-UHFFFAOYSA-N 366.414 2.266 0 40 FEAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 6324902 KJMDJGCVWRDGDJ-NSHDSACASA-N 362.879 2.419 0 40 FEAB CC(C)c1nn2c(=O)cc(COC(=O)c3ccc4c(c3)OCO4)nc2s1 8605584 MJTLUVNOPRZYNZ-UHFFFAOYSA-N 373.390 2.360 0 40 FEAB O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCC[C@@H](O)C1 102914228 WECKCZFREZCCMC-CQSZACIVSA-N 356.344 2.429 0 40 FEAB COc1ccc([C@H](CNS(=O)(=O)c2ccc(OC)cc2)N(C)C)cc1 10506532 AMJQXFSNPHXHBA-SFHVURJKSA-N 364.467 2.285 0 40 FEAB O=C(Cn1cnc2ccsc2c1=O)c1ccc(N2CCCC2=O)cc1 10768577 GJXNKVZDUHXKST-UHFFFAOYSA-N 353.403 2.468 0 40 FEAB CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(C)cc1Br 54363429 DABWQIQDRMPRLT-QMMMGPOBSA-N 356.669 2.460 0 40 FEAB Cc1ccccc1N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 23691879 UBPVQCCQWUGVPC-UHFFFAOYSA-N 358.463 2.361 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 29208448 UFWMMIHQYMNSIS-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1cccc(C)c1-n1nnnc1C1(NC(=O)CCC(=O)O)CCCCC1 55174629 RRVOXHUKUNORHR-UHFFFAOYSA-N 371.441 2.420 0 40 FEAB CCCCn1c(N)c(N(CC)Cc2cccc3cccnc23)c(=O)[nH]c1=O 24956572 FOZCWPANRSCMLF-UHFFFAOYSA-N 367.453 2.494 0 40 FEAB CN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 47851072 PNBZIJNUUXPJCZ-UHFFFAOYSA-N 359.451 2.042 0 40 FEAB O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22226903 FRRIXONPTFKHIO-UHFFFAOYSA-N 372.490 2.373 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 25422438 LQCKJBMRQUWMNK-GOSISDBHSA-N 352.434 2.403 0 40 FEAB biogenic COc1ccc(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F 3391331 VJGUCAOGRNAYFS-UHFFFAOYSA-N 367.398 2.442 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1Cc1ccn(-c2cccc(F)c2)n1 58183341 BZUZFBDCSSDPSK-UHFFFAOYSA-N 357.366 2.356 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccnn1C1CCCC1 58172437 VKGZNOVOENHVQZ-UHFFFAOYSA-N 369.469 2.465 0 40 FEAB CCOC(=O)NC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 58159995 NTSBVUVMFYXFCZ-ZDUSSCGKSA-N 351.422 2.041 0 40 FEAB CCC(=O)NCC(=O)NCc1cc(Br)ccc1OC(F)F 58264283 ROVBRMWQOGKJLL-UHFFFAOYSA-N 365.174 2.193 0 40 FEAB COc1ccc(-c2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)n2)c(OC)c1 58369760 BZKHLSRJGNOSBY-UHFFFAOYSA-N 368.349 2.470 0 40 FEAB Cc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)sc1C(=O)O 58368321 YTJKQSMABNAUOD-LLVKDONJSA-N 355.437 2.331 0 40 FEAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 12772052 SBDNLRCTNOZJOQ-GFCCVEGCSA-N 365.389 2.461 0 40 FEAB COC(=O)c1ccccc1NCC(=O)NCc1ccc(OC)c(OC)c1 48332376 JJQCGMUCVYAMQC-UHFFFAOYSA-N 358.394 2.219 0 40 FEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 11582555 ZOFLTUFFHFAUGT-JLUCKKNBSA-N 373.430 2.246 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 3505560 FQYFCTPCAUTUJJ-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB Cn1nc(C(=O)OCc2nnc(-c3cccs3)o2)c2ccccc2c1=O 3535986 AADQYJFVEYVQAI-UHFFFAOYSA-N 368.374 2.402 0 40 FEAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@H](C)COC)C2)s1 9426568 KUDYKTWMWWFJRY-GHMZBOCLSA-N 354.476 2.048 0 40 FEAB CCOC(=O)c1cnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc1N 8787846 CGTJHTSXSNMJNE-SECBINFHSA-N 371.422 2.325 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Br)o1 4113239 JENKKRRLJZWBTR-UHFFFAOYSA-N 359.201 2.250 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@H]2NC(NCc3ccccc3)=NC2=O)c1 13685335 BIKDZAWGTROCCE-QGZVFWFLSA-N 350.422 2.276 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1c[nH]c2ccc(F)cc12 9306180 YXZHOCROHUDTGU-UHFFFAOYSA-N 364.380 2.445 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@H]4CCCO4)c3)C(=O)[C@@H]2C1 408687377 USDNMOCIXBEOGD-FGTMMUONSA-N 368.433 2.441 0 40 FEAB CNC(=O)[C@H]1CN(Cc2nnc(Cc3ccccc3)o2)c2ccccc2O1 65542940 YCDSAONZADZUNX-QGZVFWFLSA-N 364.405 2.174 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)COc2c(Cl)cccc2Cl)C1=O 14135413 TUTCULKQSZNITG-CQSZACIVSA-N 360.197 2.124 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O 15842655 WKJWVEIUVHEOFF-LBPRGKRZSA-N 350.440 2.062 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9544695 CBZGXCNFMDPIAD-VBXGELDYSA-N 367.442 2.034 0 40 FEAB CN(Cc1nccn1CC(F)(F)F)C(=O)CN1Cc2ccccc2C1 83867833 ZGSCNAXYXCZQBJ-UHFFFAOYSA-N 352.360 2.420 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)cc(C)c1C 84086064 FBGKJZRWYMDUGX-HNNXBMFYSA-N 360.435 2.075 0 40 FEAB CC[C@H]1CN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1N 97165811 RDLFOMPUFCHVNJ-LPHOPBHVSA-N 365.543 2.207 0 40 FEAB CN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@H]1CCc2ccccc21 73679340 RMAFLLYILDQYIK-INIZCTEOSA-N 352.390 2.291 0 40 FEAB C[C@@H]1NCCn2c(C(=O)NCCc3nc4c(F)cccc4n3C)ccc21 1521482533 PBAKAUQCHDWZGP-LBPRGKRZSA-N 355.417 2.151 0 40 FEAB O=C(O)c1ccccc1C(=O)OCCOC(=O)c1ccccc1C(=O)O 3843351 KJDIOINTBBPCAD-UHFFFAOYSA-N 358.302 2.097 0 40 FEAB biogenic O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2nnnc(O)c2c1 524732853 UJGBYUPQHJYEJG-UHFFFAOYSA-N 353.382 2.066 0 40 FEAB COc1ccc2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1 11866851 FQRHUHMCZUITNO-OAHLLOKOSA-N 361.394 2.268 0 40 FEAB biogenic Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(c2nc(O)n[nH]2)CC1 539931761 LNZNVAMPOAQIQG-UHFFFAOYSA-N 373.438 2.484 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1nc(-c2ccc(F)c(F)c2)cs1 32831592 FGUSUTYNIYLDRS-TVQRCGJNSA-N 370.402 2.238 0 40 FEAB Cc1ccc(OCCCNC(=O)[C@]2(C)CC(=O)N3C=CC=CC3=N2)cc1 35316638 JYRBEVBJDJFDCW-FQEVSTJZSA-N 353.422 2.353 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217507153 BOUSSYVYGYWJRZ-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)Cc1cccc(C(=O)O)c1 566173559 NPLPJCPMOSFMNL-SNVBAGLBSA-N 352.412 2.213 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968668 GVEIAMVRBPXXNB-OAQYLSRUSA-N 356.466 2.407 0 40 FEAB Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4cc(C)no4)C[C@H]31)N2 72327518 XHJINLRVJSTNAY-AGKSTNPPSA-N 366.421 2.325 0 40 FEAB Cc1cc(C)cc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224360496 RICNRORLFQMWJR-UHFFFAOYSA-N 355.442 2.248 0 40 FEAB COC(=O)CNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 49543102 ZBEJJNBXRFTBNQ-UHFFFAOYSA-N 357.362 2.296 0 40 FEAB biogenic Cc1ccccc1OCCN(C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 48374887 HBEZFYYHDXSJGC-INIZCTEOSA-N 356.422 2.474 0 40 FEAB CC(=O)N(C)c1cccc(NC(=O)N2CCC(C)(N3CCOCC3)CC2)c1 529005966 ZYTIWLMCEHVIDP-UHFFFAOYSA-N 374.485 2.388 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCC1=CCCCC1 225880711 ZWLGOQQPAKCEEF-UHFFFAOYSA-N 357.501 2.468 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96220503 UWOFRPMFEKXESY-PXNSSMCTSA-N 355.438 2.401 0 40 FEAB Cn1cccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 94993152 YMWZPGKUHLNSPB-UHFFFAOYSA-N 356.813 2.219 0 40 FEAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 96043356 YUIISNHHWNGAAP-OWCLPIDISA-N 358.467 2.404 0 40 FEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F 331353174 XXUBVPUDWDUBIN-ABAIWWIYSA-N 360.426 2.298 0 40 FEAB O=C1CO[C@@]2(COCCN(Cc3ccsc3)C2)CN1c1ccccc1 96051264 SXRLYWKUWNWYCR-LJQANCHMSA-N 358.463 2.383 0 40 FEAB Cn1cc(C(=O)N2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)cn1 248121886 KMMQPQUONXPNLX-QGZVFWFLSA-N 370.453 2.296 0 40 FEAB Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257297381 RGZLTSIBXFYXFF-INIZCTEOSA-N 350.422 2.369 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3ccnn3C)CC2)C1 257202750 ANGJREGJPAMBRS-QGZVFWFLSA-N 354.454 2.320 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 253617457 NTTRGAIOMZIGLW-ZYOLOLJASA-N 364.482 2.006 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)CCn2cc(Cl)cn2)c1 630124985 KIURZVCSEWINAD-CQSZACIVSA-N 351.790 2.267 0 40 FEAB Brc1cnc(OC[C@H]2CCCN(CCn3cccn3)C2)nc1 1775995813 JZIMWKXIFWIUCR-ZDUSSCGKSA-N 366.263 2.227 0 40 FEAB Cn1nc2cc(Br)ccc2c1C(=O)N1CCc2ncncc2C1 96122783 GVYRTDQZXSMSRI-UHFFFAOYSA-N 372.226 2.324 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585277615 NPKNDNOXLORMFL-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccc(F)cc1 585262399 NBOBNQNJRYSJBJ-BDXSIMOUSA-N 363.360 2.026 0 40 FEAB Cc1ccc([C@@H](O)CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 52899596 XVNVFAMQWDRGHC-IBGZPJMESA-N 363.417 2.069 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)C(=O)NC4)CC2=O)c(F)c1 58749087 VZIIZPUJFURNFO-CYBMUJFWSA-N 367.380 2.369 0 40 FEAB Nc1cccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 681092352 IVRWFNIFMHQBSO-LBPRGKRZSA-N 367.421 2.352 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccccc2Cl)c1=O 12146686 GTCKYZNVCWQQID-UHFFFAOYSA-N 358.785 2.055 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3nccs3)cn2)cc1 13809205 MHRDUYYZERATIX-UHFFFAOYSA-N 356.407 2.404 0 40 FEAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1 19585039 AWOBJCHRUNJUQG-SFHVURJKSA-N 351.454 2.166 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3ncn(C)c3c1)C2=O 19715379 BOOAGTZXICBWLS-UHFFFAOYSA-N 369.425 2.013 0 40 FEAB O=C(/C=C/c1cccnc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643551305 YQOOJTSSGUCSMI-ASJVDEDQSA-N 350.418 2.241 0 40 FEAB COC(=O)c1cc(CNC(=O)COc2ccccc2OC)ccc1OC 3367690 LJGXONDKVHOIIM-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCc1ccc([C@H](C)NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 5459897 SXJAOJYUGBVGJF-AWEZNQCLSA-N 351.410 2.481 0 40 FEAB COC(=O)CNC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 6113680 ZVVFRBDHZCQMHI-UHFFFAOYSA-N 365.480 2.260 0 40 FEAB Cc1noc(C)c1CN1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2)C1 1888875943 PRVXFKDJFIDZET-QGZVFWFLSA-N 363.483 2.328 0 40 FEAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888979418 NYAQBWWBUXPNMK-LJQANCHMSA-N 366.421 2.284 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O 1889031969 LGODYOQKMCWASL-UHFFFAOYSA-N 369.377 2.450 0 40 FEAB CCn1nnc2cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)ccc21 14901130 MJKCHZLWFSISPF-UHFFFAOYSA-N 373.420 2.491 0 40 FEAB CSc1nccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086988605 PYUATJIHJCNWCZ-UHFFFAOYSA-N 365.466 2.377 0 40 FEAB CCc1cc2c(N3CCN([C@@H](C)C(=O)NC(C)C)CC3)ncnc2s1 2087044666 RUNJGTOSTMIUNJ-ZDUSSCGKSA-N 361.515 2.289 0 40 FEAB CCCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 3906613 IXSJORTYJZKRFD-UHFFFAOYSA-N 365.433 2.462 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4cccs4)cnc32)cc1 10251661 VLOOFXHPFMBGBW-UHFFFAOYSA-N 365.418 2.265 0 40 FEAB O=C(NC1CC1)C1(Nc2cccc(F)c2)CCN(c2ncc(F)cn2)CC1 2055738628 FKIJGPLQGNUGKD-UHFFFAOYSA-N 373.407 2.485 0 40 FEAB COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 22765403 YEOCRLCVJXMOTJ-IBGZPJMESA-N 373.522 2.404 0 40 FEAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1C(F)(F)F 575617308 VPCHIBBYKLDZDC-GFCCVEGCSA-N 362.377 2.300 0 40 FEAB C[C@H]1CN(C(=O)Cn2c([C@@H]3CCCNC3)cc3cccnc32)C[C@@H](C)O1 19497264 UMFXJWAIKOWEPY-HLLBOEOZSA-N 356.470 2.139 0 40 FEAB C[C@](O)(CNC(=O)C(=O)Nc1ccon1)c1ccc(-c2ccccc2)cc1 75155395 KIBBWDZSLZRIKY-FQEVSTJZSA-N 365.389 2.304 0 40 FEAB CC(=O)NCc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 30029885 NAEPQJVJNCGJLQ-FQEVSTJZSA-N 351.450 2.452 0 40 FEAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1nccs1 32073803 QTBBLBBHBLLEHL-UHFFFAOYSA-N 358.423 2.345 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(F)ccc1-n1cnnn1 20719216 XZGCZKOHUJTTDP-UHFFFAOYSA-N 370.344 2.021 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751558 KESFGMLNRNIGDY-VIFPVBQESA-N 373.390 2.418 0 40 FEAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCNC3=O)c2C1 8007967 GOIIKNXWRIAQDX-LBPRGKRZSA-N 367.405 2.068 0 40 FEAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32795546 JYCNGHONQKPGBG-SECBINFHSA-N 368.256 2.021 0 40 FEAB COc1ccc(OC)c(CN2CCN(c3cc(Cl)nc(N)n3)CC2)c1 32778791 NNTGBBQEDFGPFY-UHFFFAOYSA-N 363.849 2.052 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1c[nH]c2ccccc12 102305283 RTCJIPVPXAUFBY-IAGOWNOFSA-N 365.433 2.168 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1nc(-c2ccc(F)c(F)c2)cs1 32831600 FGUSUTYNIYLDRS-RNCFNFMXSA-N 370.402 2.238 0 40 FEAB Cc1cccc(CCN(CC(=O)NC(C)(C)C)C(=O)c2csnn2)c1 4964930 UWCYFIOOYBZRSX-UHFFFAOYSA-N 360.483 2.446 0 40 FEAB Cc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cccc(F)c2)c1N 2687351 CVXWQPGFHXRQHR-UHFFFAOYSA-N 368.372 2.199 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccc(Cl)cc32)cc1 21721060 QBLMFYJKOHQGQL-OAHLLOKOSA-N 366.826 2.090 0 40 FEAB Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(C(=O)N(C)C)CC3)n2)s1 60455970 LLBRYUIBLSTRAD-UHFFFAOYSA-N 362.459 2.174 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccnn1Cc1ccccn1 8024205 BYUCGYBZAPMVHK-UHFFFAOYSA-N 350.378 2.279 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 41671438 ZFIRPWGZXNJDOR-GFCCVEGCSA-N 356.513 2.028 0 40 FEAB CCOc1ccc(OCCC(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1 41941151 YIVPOXVSOVDQIM-IYBDPMFKSA-N 350.459 2.080 0 40 FEAB Cc1ccn2ncc(C(=O)NCc3ccccc3CN3CCCC3=O)c2n1 75671492 XCMBHBKDSXOPPD-UHFFFAOYSA-N 363.421 2.090 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)n1 53175800 YILOAIRNHKCVCS-UHFFFAOYSA-N 369.494 2.454 0 40 FEAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCS(=O)(=O)C1 8134436 KCXSPCRRNJEPBV-GFCCVEGCSA-N 361.448 2.436 0 40 FEAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1 47718315 GMTJKUHSDKEWFQ-CQSZACIVSA-N 358.529 2.215 0 40 FEAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 12592390 PGXWJBAEMYVHJR-AWNIVKPZSA-N 364.858 2.253 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCCC[C@H]2CC)c1=O 57478849 ORTPQIUJHFLBBQ-CYBMUJFWSA-N 363.483 2.426 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](C)CCC(C)C)c1 23993854 HDJZYHSMFVKHBU-LBPRGKRZSA-N 371.455 2.363 0 40 FEAB NC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 10044246 CAZUECCVHAXYMS-ZDUSSCGKSA-N 359.234 2.498 0 40 FEAB C[C@@H](C(=O)Nc1nnc(SCc2cccs2)s1)S(C)(=O)=O 58209750 CKPTWSNKEZSBHI-ZETCQYMHSA-N 363.511 2.264 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1 58214502 WJDVRQFUSFINQZ-QGZVFWFLSA-N 370.453 2.481 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)cn1 62003100 PPKNAIOFPZRHMR-UHFFFAOYSA-N 368.418 2.469 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 12746073 UVLSLMSAJQUFOY-UHFFFAOYSA-N 361.423 2.407 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 24092854 IIMUQNVRJBHCOD-KXBFYZLASA-N 366.433 2.450 0 40 FEAB O=C1CN(C(=O)COC(=O)COc2ccccc2Cl)c2ccccc2N1 3475903 QGVLWVCDBSPCRC-UHFFFAOYSA-N 374.780 2.247 0 40 FEAB O=C(COc1ncnc2ccc(Br)cc12)NCC(F)(F)F 3444007 LKYQHYZPKXWZAP-UHFFFAOYSA-N 364.121 2.450 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)Cn1nnc2ccccc2c1=O 3579144 HFGPTMKASQGZPL-UHFFFAOYSA-N 358.785 2.401 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccccc1 13041711 OZZLGSKUCBOUBG-LJQANCHMSA-N 369.446 2.495 0 40 FEAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 14141567 YXMMKKOEDHMQQK-UHFFFAOYSA-N 367.515 2.386 0 40 FEAB COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 6753031 JDXUYYNDGLWZNR-LJQANCHMSA-N 365.389 2.328 0 40 FEAB O=C(NCCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2 6754628 SZHZKRBNMNHHIL-UHFFFAOYSA-N 358.419 2.232 0 40 FEAB O=C(COC(=O)c1ccccc1O)Nc1cc(Cl)ccc1-n1cncn1 5784255 QORWWJHFJWBJGW-UHFFFAOYSA-N 372.768 2.422 0 40 FEAB Cc1ccc(CCNC(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cn1 95957631 ZGEGYTPJEBGBBT-UHFFFAOYSA-N 367.453 2.388 0 40 FEAB Cc1cc(N2CCC[C@H](NC(=O)N3CCc4sccc4C3)C2=O)n(C)n1 173566187 MTSTWWIQUXMTPE-AWEZNQCLSA-N 373.482 2.053 0 40 FEAB CC[C@H](C)n1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C1CC1 89845528 MXXUWBKCSBZAJP-LBPRGKRZSA-N 355.442 2.024 0 40 FEAB CCn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(C)nc2)c1 509217289 JLZMZNORYMCZSM-UHFFFAOYSA-N 372.244 2.135 0 40 FEAB NC(=O)c1cc(N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)ncn1 1559146902 YDIJOEOOHLXPQT-QFIPXVFZSA-N 374.444 2.416 0 40 FEAB CN1CCC[C@@H](NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1=O 533217669 JPBAFSIQVWGXOX-QGZVFWFLSA-N 351.406 2.034 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 30848257 OXYIWGWYRVARDY-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C1 72373900 XXFSQKCEYLIISX-KRWDZBQOSA-N 364.453 2.111 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccccc3O)c2c1 36370121 GCNAETMZLSAEEZ-UHFFFAOYSA-N 353.378 2.180 0 40 FEAB biogenic Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70762617 JTKZXZWSGKYKIC-CYBMUJFWSA-N 364.345 2.020 0 40 FEAB O=C(NCc1ccco1)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 75166075 DNCQDMYRMBODJC-HNNXBMFYSA-N 367.409 2.403 0 40 FEAB COc1ccccc1C[C@@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225162382 OQOGJZTUTZECAO-HNNXBMFYSA-N 367.398 2.296 0 40 FEAB CCOC(=O)c1ccc(NC(=S)NCCN2CCCC2=O)cc1Cl 225812516 JZTRJAYOEXSKJX-UHFFFAOYSA-N 369.874 2.426 0 40 FEAB COc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 48314598 VITNPLFJBYYCHI-KRWDZBQOSA-N 371.437 2.127 0 40 FEAB C[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1 96344657 XXVXFIBDOGYZNN-SUMWQHHRSA-N 351.406 2.395 0 40 FEAB COc1ccc(C(=O)CNC(=O)c2cc(=O)n(C)c3ccccc23)cc1 96114459 NZQLVRWPHDYUNE-UHFFFAOYSA-N 350.374 2.160 0 40 FEAB biogenic c1cncc(CN2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)c1 96244072 NUZBYOHTEZLTQV-HXUWFJFHSA-N 351.454 2.367 0 40 FEAB NC(=O)CCn1ccc(NC(=O)c2cc(Br)ccc2Cl)n1 97576136 MUDBEMANWIBRNC-UHFFFAOYSA-N 371.622 2.427 0 40 FEAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cccn3C)C2)OC1 248140396 TZGUJIBDBYEYHV-SFHVURJKSA-N 368.481 2.173 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2[C@@H](COCc2ccccn2)C1 247885106 WQFWYUVRRBEVLU-LJQANCHMSA-N 355.438 2.410 0 40 FEAB COCC(=O)NC[C@@H]1CN(Cc2cccc3ccccc23)Cc2ccnn21 247855392 TZNKSDVRDUJWDB-LJQANCHMSA-N 364.449 2.356 0 40 FEAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CNC(C)=O)C2)o1 257274288 NKJNOFWGQKAZHX-INIZCTEOSA-N 371.437 2.116 0 40 FEAB Cc1cc(C(F)F)n(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)n1 257272238 NBOZQSJPJCCWEP-GUYCJALGSA-N 354.401 2.179 0 40 FEAB Cc1nc(CNC(=O)[C@H](C)n2cc(COc3ccccc3)nn2)cs1 257173731 VVYHADCCJYRCOT-LBPRGKRZSA-N 357.439 2.499 0 40 FEAB CN1CCC(Cc2cnc(CNC(=O)Cc3cccc(F)c3)cn2)CC1 257210636 BVNUNLRGOCXZHB-UHFFFAOYSA-N 356.445 2.359 0 40 FEAB C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1cnn(C)n1 606442836 QCIPWEWEABBEQA-ZDUSSCGKSA-N 351.410 2.289 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc([C@@H]5C[C@@H]5C)n4n2)CC3)C1 631491126 VMFUTJLYDAPKHC-GNRIBBGQSA-N 364.457 2.373 0 40 FEAB CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)c1 656626125 IPWMBMWLEPGJEN-SNVBAGLBSA-N 353.400 2.096 0 40 FEAB C[C@@H](Br)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 140465220 AXBASCJFVFRIAL-VWMGYNLJSA-N 350.278 2.137 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@]12CCCN(C[C@@H]1CCCO1)CC2 585099939 AMFOTJBMCWZBGT-YJBOKZPZSA-N 364.515 2.486 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3cccc(F)c3)CC2)C1 585103823 RUFGDJIXHGAXEY-QGZVFWFLSA-N 364.461 2.273 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCC1 585284703 ZBPUQBXUBCOPAQ-GOSISDBHSA-N 373.852 2.226 0 40 FEAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Oc2nncs2)CC1 828172150 ZKRISJYLFVPQHY-UHFFFAOYSA-N 355.423 2.407 0 40 FEAB O[C@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844823 LSDONWDSZCOZBK-LTFPLMDUSA-N 357.454 2.232 0 40 FEAB biogenic,in-vitro Cc1nc(NC(=O)c2ccc(N3CCCCC3)nn2)sc1C(=O)N(C)C 77099896 PZFFBSSSGGZXTE-UHFFFAOYSA-N 374.470 2.186 0 40 FEAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n[nH]c1=O 5015675 FDLMMVAJKLLAON-UHFFFAOYSA-N 372.353 2.034 0 40 FEAB CCc1nn(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)c2cc3occc3n12 5149333 WTGFHZJBXDAVLK-BETUJISGSA-N 356.426 2.309 0 40 FEAB CCc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3occc3n12 12115466 SSTACAGIZLALOT-UHFFFAOYSA-N 364.405 2.164 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cncc(N)c3)nn2c(O)c1C 12337002 RIYNVLYRZPXIIW-OAHLLOKOSA-N 352.398 2.006 0 40 FEAB Cc1cnccc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 13227917 JABDRFRXXUBQJK-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB O=S1(=O)C=C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 14139017 JZTOLIAGMGKJQJ-HNNXBMFYSA-N 355.481 2.323 0 40 FEAB Cc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 19210370 SCNMQNAORIRCJP-HZPDHXFCSA-N 368.481 2.250 0 40 FEAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)n1 19237975 CBJFFKYUPHXGFA-RDTXWAMCSA-N 368.485 2.017 0 40 FEAB C[C@H](Cc1ccc(F)cc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19456804 RXNVLQCVSUCOOY-GDBMZVCRSA-N 368.460 2.263 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCSCC1 1888913372 BDHKRVDEFIPHCB-HNNXBMFYSA-N 374.428 2.482 0 40 FEAB COc1nccnc1N1CC[C@H](Oc2ccncc2Br)C1 1889102344 YHJGAZAUSKXLCC-JTQLQIEISA-N 351.204 2.300 0 40 FEAB COCCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2n[nH]c(=O)c-2c1 38670597 OIWDSGOPAZQDRQ-UHFFFAOYSA-N 364.764 2.367 0 40 FEAB CCOc1ccccc1CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 8783079 QBYXNUAOXOZIMY-UHFFFAOYSA-N 362.407 2.009 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)cn1 30009619 CEWFZIXKNADEQX-NSHDSACASA-N 358.398 2.496 0 40 FEAB O=S(=O)(NCCN1CCCCC1)c1ccccc1OC(F)(F)F 46034732 IUHOIEQSZUKBNX-UHFFFAOYSA-N 352.378 2.349 0 40 FEAB COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1O 1645451 BAAZAAOLHHFWJV-QGZVFWFLSA-N 354.314 2.465 0 40 FEAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nc2c(s1)CN(C)CC2 32795562 JZDYVKNOOSLDIK-XEHSLEBBSA-N 370.478 2.288 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)NCCc1ccc2c(c1)OCO2 32741212 OYIOLJSWFWZCQJ-UHFFFAOYSA-N 368.389 2.462 0 40 FEAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3ccco3)n2)c1 41254119 ZYSBZVNVPJKVKD-UHFFFAOYSA-N 353.378 2.218 0 40 FEAB NC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1 6815964 CBMZYKJENPNNID-UHFFFAOYSA-N 363.826 2.331 0 40 FEAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 7676082 DBGGSRULPGORKS-QGZVFWFLSA-N 363.373 2.100 0 40 FEAB O=S(=O)(NCCOc1ccccc1F)c1ccc2c(c1)OCCCO2 33047722 JEIXGBANOZKQOD-UHFFFAOYSA-N 367.398 2.344 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl 8336209 HWXSDAYEXHOTLT-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB COC(=O)[C@]1(SC)[C@H]2C=C[C@H]3C2C2[C@@H]1C=C[C@H]2[C@@]3(SC)C(=O)OC 101037122 UJCMCFULJLVVQQ-JMAYSDQTSA-N 366.504 2.400 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)cc1 100395288 VGLRCBKEWISIEM-UPGMHYFXSA-N 350.418 2.359 0 40 FEAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1CCC1=CCCCC1 100930097 HGGURTDNYYZEBZ-GOSISDBHSA-N 367.449 2.368 0 40 FEAB Cc1ccc(-c2noc(CCC(=O)NCCN3C[C@@H](C)O[C@H](C)C3)n2)cc1 23111038 ZAPWKSGTHHAPPG-HZPDHXFCSA-N 372.469 2.203 0 40 FEAB Cc1ccc(-c2nnco2)cc1NC(=O)CNC(=O)NCc1ccccc1 47330045 BGLQHPYMIUHSND-UHFFFAOYSA-N 365.393 2.483 0 40 FEAB CCOC(=O)C1=C(CN2CCCc3cccc(F)c32)NC(=O)N[C@H]1CC 22846268 NSXIDCKMGAFOLL-AWEZNQCLSA-N 361.417 2.487 0 40 FEAB CCCc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)[nH]n1 25297796 DNULXWPERYCTAY-GFCCVEGCSA-N 367.413 2.406 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCOc2ccc3c(c2)CCC3)c1 56008641 YAKAGUBGGWAXQU-UHFFFAOYSA-N 359.447 2.388 0 40 FEAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(C[C@@H]1CCCO1)CO3 57135104 BUPXPSYETGIZAZ-ZDUSSCGKSA-N 373.405 2.148 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1nc2sccc2c(=O)[nH]1 57358908 SGZVQTXUALNFFZ-GFCCVEGCSA-N 368.462 2.394 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccccc2)cc1 3234699 VLZYPZUXNBLLNE-AWEZNQCLSA-N 368.389 2.189 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 12685525 BISZTLREZUXTLW-GFCCVEGCSA-N 366.373 2.405 0 40 FEAB Cc1cc(NC(=O)c2c(C)oc(C)c2S(N)(=O)=O)ccc1N(C)C 58356360 SOPSMBHJJTXSMF-UHFFFAOYSA-N 351.428 2.171 0 40 FEAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1 58325604 CGDIMZGBXBYYEH-QGZVFWFLSA-N 372.490 2.435 0 40 FEAB O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)[C@H]1CCCO1 58403306 OHJCRYRAUGOYKS-GFCCVEGCSA-N 351.204 2.206 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1n[nH]c(=O)c2ccccc12 10677854 LDMOKCKAUNOFSV-UHFFFAOYSA-N 359.389 2.381 0 40 FEAB O=C(NCCC(=O)N1CCCC1)c1ccc(OCc2cscn2)cc1 36393745 FATFHUVVSHNWNA-UHFFFAOYSA-N 359.451 2.464 0 40 FEAB CCOC(=O)C(=CNc1cc(NC(C)=O)ccc1OC)C(=O)OCC 3367974 PNZMOLIDBPEVFU-UHFFFAOYSA-N 350.371 2.076 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc(Cl)c3Cl)cnc21 12767631 HOOUPCCNDODNMB-UHFFFAOYSA-N 352.181 2.076 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(N2CCOCC2)nc1 12886151 VYOWRYJAEGQPOM-MDWZMJQESA-N 359.451 2.009 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1 13003103 DGJRQCISUBKCAZ-UHFFFAOYSA-N 350.378 2.302 0 40 FEAB CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974695 IMYDKAGNDDQJCW-SZEPBZDZSA-N 359.401 2.214 0 40 FEAB CN(C)C(=O)C1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 8937522 MMCYAZXFAZSIBD-UHFFFAOYSA-N 353.850 2.229 0 40 FEAB COC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C)c1C 5325857 BFMXHRAMCMVVAR-UHFFFAOYSA-N 371.422 2.444 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1nnc2ccccn12 5488525 PTIDNWMZBGJOML-WMLDXEAASA-N 365.437 2.361 0 40 FEAB O=S(=O)(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6552014 NTJBKJBVFAUMLB-UHFFFAOYSA-N 366.464 2.272 0 40 FEAB C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@@H](C)O1 14356918 HJFDSTNLZRCRPS-UHIISALHSA-N 367.243 2.190 0 40 FEAB COCCNC(=O)c1sc2ncc(C(=O)c3cccc(OC)c3)n2c1C 6664948 BKKUVZXFNIRSAL-UHFFFAOYSA-N 373.434 2.320 0 40 FEAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(OCC)cc2)C1 7015291 UWOQFBPMANMXKP-JKSUJKDBSA-N 351.443 2.100 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-n2cncn2)cc1 7279304 DULIZPHPVZHBED-CQSZACIVSA-N 362.389 2.402 0 40 FEAB CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409196265 VCNWMEVWAURXQG-MHWRWJLKSA-N 352.346 2.486 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O 7472078 UNWOMAHSZCANNW-MMVGZCIASA-N 359.470 2.040 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc2c3ccccc3n(CC)c2n1 9321963 PRAAGYUUZQUKND-JTQLQIEISA-N 372.454 2.326 0 40 FEAB C[C@@H](NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 15858489 JTUJMKNWLYQJPP-CYBMUJFWSA-N 358.419 2.244 0 40 FEAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)c1nc2ccccc2c(=O)[nH]1 8011508 IEUHWSRXCHNLBR-ZCFIWIBFSA-N 356.333 2.101 0 40 FEAB Cc1cc(N2CCC(NC(=O)N(C)Cc3nccs3)CC2)nc(C)n1 176888678 ARSOLLVIOQNZAO-UHFFFAOYSA-N 360.487 2.360 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 75488110 DBNIMGFUZPKXFN-PWSUYJOCSA-N 363.483 2.217 0 40 FEAB O=S(=O)(c1ccc(CN2CCC[C@H]2CN2CCCC2)o1)N1CCCC1 66536858 IWHNYMQLZPBVAX-INIZCTEOSA-N 367.515 2.124 0 40 FEAB CC(C)Cn1c(S[C@@H](C)C(=O)NC(C)(C)C)nnc1N1CCOCC1 21621425 UAEBVKYOWAZECS-ZDUSSCGKSA-N 369.535 2.166 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cnn3ccccc23)C1 548018017 RZWHBPYRWUGEMU-GOSISDBHSA-N 355.467 2.337 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@@H](CNC(=O)N3CCCC3)CO2)C1 306123300 AJOVEXGAQUATKL-INIZCTEOSA-N 362.474 2.078 0 40 FEAB O=C(CN1CCN(C(=O)Cc2cccc(F)c2)CC1)Nc1cccc(F)c1 35271137 HMXZJWHENYVRKP-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc3nsnc3c2)CC1 38679334 MEAJPXGVZKEJCA-UHFFFAOYSA-N 357.439 2.254 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218594606 TXHSFSZKJDXHRF-VYDXJSESSA-N 365.838 2.370 0 40 FEAB Cc1nc(-c2ccncc2C(=O)N2CCN(Cc3ccccc3)CC2)no1 32916087 GWJRWVKHMZLTGT-UHFFFAOYSA-N 363.421 2.398 0 40 FEAB NC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 44670387 AGLDTBGPDYQHOT-UHFFFAOYSA-N 372.324 2.331 0 40 FEAB COc1cncc(O[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)n1 225500244 YMGNTBXSWIYNDA-MRXNPFEDSA-N 357.410 2.072 0 40 FEAB CCn1cc(CN2CCCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cn1 329274389 JIFADRGFARQZAG-UHFFFAOYSA-N 352.442 2.127 0 40 FEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 95480370 ABOYFUCRVXVHAI-AWEZNQCLSA-N 356.817 2.212 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccoc2)C(=O)CO3)s1 96240181 BOECRJFMWIEGMA-GOSISDBHSA-N 362.451 2.284 0 40 FEAB NS(=O)(=O)c1ccc(N2CCC[C@@]3(CC=CCC3)C2)c(C(=O)O)c1 582490724 DHUCILFBBIJCHB-KRWDZBQOSA-N 350.440 2.359 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)c1cc(C(C)C)nc(N2CCOCC2)n1 96100945 QNUABRSSPBWGJL-UHFFFAOYSA-N 358.446 2.039 0 40 FEAB Cc1nc2sc(C(=O)N[C@@H](C)c3nnc4ccccn34)c(C)c2c(=O)[nH]1 95477168 PIFPXDKBGRKLRE-VIFPVBQESA-N 368.422 2.135 0 40 FEAB O=C(Cc1ccsc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 95471784 UEHQSLHWXDHTDD-UHFFFAOYSA-N 362.426 2.322 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247866933 PANGOHGBQNCFEE-AWEZNQCLSA-N 355.394 2.400 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 252515095 GZPIUKGUOFDJAC-XJKCOSOUSA-N 374.890 2.073 0 40 FEAB CNc1cccc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257272824 NEABOFOBUBTBFY-QGZVFWFLSA-N 357.410 2.160 0 40 FEAB O=C(/C=C/c1ccccc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257205737 BAKDCVDLPVKGEX-DKFQHHCZSA-N 350.409 2.394 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257232098 GJKPIFNSOYYICU-MRXNPFEDSA-N 352.504 2.256 0 40 FEAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)n1 625752557 WXSMRJMYNYZVJC-WLGSGIEKSA-N 371.529 2.300 0 40 FEAB O=C(Cc1cnn2c1CCCC2)N1CCN(CCc2ccccc2)CC1 630622321 CKNRGCXPUCQNFL-UHFFFAOYSA-N 352.482 2.149 0 40 FEAB CCN(C)C[C@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1 585103049 BUXKLOKQAGSGKX-GOSISDBHSA-N 366.527 2.339 0 40 FEAB C[C@H]1c2ncc(CCOc3ccncc3)n2CCN1C(=O)c1cocn1 585097972 PVQXCKQGJVRONC-ZDUSSCGKSA-N 353.382 2.105 0 40 FEAB O=C(NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O)C1CCOCC1 585285376 OURZUSGWCCZBSN-KBRIMQKVSA-N 353.846 2.401 0 40 FEAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 585095754 IGFAWPKSWPLLRE-HNNXBMFYSA-N 360.483 2.377 0 40 FEAB NC(=O)C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@H]1Oc1ccccc1 585277974 ZCKIMBOEJNUOCD-RHSMWYFYSA-N 369.421 2.337 0 40 FEAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 58230117 URRBJSYAINWECW-MRXNPFEDSA-N 365.441 2.421 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](CO)[C@@H](NC(=O)OCc2ccccc2)C1 66351492 YXRDRPMUWUKCSL-GJZGRUSLSA-N 350.415 2.141 0 40 FEAB COc1ccc2c(c1)OC[C@@H](C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1)C2 64689361 HKVMAXVZEFSZHV-LZWOXQAQSA-N 361.438 2.294 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc(O)c1Br 1641125840 HAASTYAWWGWZEC-UHFFFAOYSA-N 374.198 2.312 0 40 FEAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccco2)cc1 5060390 BDLQYTWHVIHVDY-ZDUSSCGKSA-N 366.439 2.050 0 40 FEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(F)cc1 12114368 FVLLMPZGZYJEKE-MCPYQZEQSA-N 358.417 2.012 0 40 FEAB COc1ccc(CC(=O)N[C@H](C)Cn2c(=O)oc3ccccc32)cc1OC 12141972 QFUMYUDWRFSOHQ-CYBMUJFWSA-N 370.405 2.359 0 40 FEAB COc1ccc(CNC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)cc1 12481177 VKJXQMZRCLZRIL-UHFFFAOYSA-N 368.389 2.484 0 40 FEAB Cc1nnc(SCC(=O)Nc2nc(C)c3c(n2)C[C@@H](C)CC3=O)s1 13636328 HHYHXCWNAKBYDU-SSDOTTSWSA-N 363.468 2.441 0 40 FEAB COc1cccc(CNC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)c1 14001066 RJOMUGYVYGARPS-UHFFFAOYSA-N 362.389 2.203 0 40 FEAB Cc1nn2c(=O)cc(COC(=O)COc3ccccc3Cl)nc2s1 15733952 QIZKGOLZRYWHMO-UHFFFAOYSA-N 365.798 2.235 0 40 FEAB Cc1ccc(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1Cl 18181435 BTCWVODLAJYXFR-UHFFFAOYSA-N 352.866 2.323 0 40 FEAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)[nH]c(=O)c1C 19555483 RCOBOFSDVMJAIF-CQSZACIVSA-N 355.394 2.022 0 40 FEAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)Cc2cccc(F)c2)n1 19709983 ZZJBGEBEFRZRHX-HNNXBMFYSA-N 371.460 2.326 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc1Cl 159328551 NVQMOGDYGKLAGS-LBPRGKRZSA-N 367.858 2.301 0 40 FEAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)COCC1=O 2037985408 JCLXGTAUOKOXHI-SFHVURJKSA-N 350.846 2.440 0 40 FEAB NCCC1CCN(S(=O)(=O)c2cscc2Br)CC1 631948883 RYAPHVGYEVNAGH-UHFFFAOYSA-N 353.307 2.260 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)N[C@H](c1cccs1)C1CCOCC1 1565523728 YYGLQBNPJYLSDK-KRWDZBQOSA-N 362.451 2.353 0 40 FEAB O=C(COc1cc(F)ccc1F)N1CCc2ncnc(NC3CC3)c2CC1 1565553488 AVDYLHUFLUMPNY-UHFFFAOYSA-N 374.391 2.335 0 40 FEAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1 4851494 ACRWJIJEHFQJEF-UHFFFAOYSA-N 369.472 2.460 0 40 FEAB CCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CCCC)c(=O)n1C 5148178 ALBDWTSWCWYFRY-ZDUSSCGKSA-N 360.462 2.254 0 40 FEAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1Br 225632539 MHOIZEZUTWQICW-TZMCWYRMSA-N 370.243 2.171 0 40 FEAB C[C@H](SCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 40067152 IZEULBUJALJHJT-ZDUSSCGKSA-N 358.467 2.318 0 40 FEAB CCCNC(=O)c1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 40134402 BALDXQKPDBGRTD-RDTXWAMCSA-N 361.467 2.219 0 40 FEAB CC1=NN(c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCC(C)C)cc2)CC1 51218522 FRKBFFYDWNYDBP-AWEZNQCLSA-N 374.441 2.300 0 40 FEAB Cc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)ccc1F 32865082 LWICGTMEHAPFTJ-HXUWFJFHSA-N 369.396 2.218 0 40 FEAB Cc1cc(NC(=O)[C@H](C)SCc2cc(=O)n3ccsc3n2)no1 32854089 KXSCGKUGSRUQRF-VIFPVBQESA-N 350.425 2.313 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3F)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487853 ISJGDIULGGMPOM-YTBGYOSVSA-N 367.373 2.161 0 40 FEAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@@H]1CCCS1(=O)=O 6511363 SCNKRRYBFZWKTM-JTQLQIEISA-N 369.748 2.444 0 40 FEAB CCOC(=O)N[C@@H](C(=O)NCc1ccccc1Cn1cccn1)C(C)C 32911734 ZIGNMORBRZPARE-QGZVFWFLSA-N 358.442 2.318 0 40 FEAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974373 HIPICMGEZYWNPB-OAHLLOKOSA-N 368.499 2.321 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccccc2F)CC1 23730940 XYNLMHGNGPMGEG-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cnc2ccccc2c1 100466778 ZJEUUDOBFLQKBE-BXXLAGKGSA-N 373.412 2.226 0 40 FEAB C[C@@H](CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1 25447191 FFKYVWRSJWJHFT-AWEZNQCLSA-N 351.406 2.272 0 40 FEAB CCCCN(CC)C(=O)Cn1c(=O)n(CCC)c(=O)c2sccc21 57478845 XONJFYAPZVPGPZ-UHFFFAOYSA-N 351.472 2.283 0 40 FEAB COCCn1cc(C(=O)NCCC(=O)N2CCCCC2)c2ccccc21 57436244 OQIOSAVAHJHCTJ-UHFFFAOYSA-N 357.454 2.420 0 40 FEAB CCN(c1ccc(-c2csc(N3CCOCC3)n2)cc1)S(C)(=O)=O 12622738 NOQBJLIVUURIHD-UHFFFAOYSA-N 367.496 2.433 0 40 FEAB O=C1[C@H](NS(=O)(=O)Cc2ccc(F)cc2)CCN1Cc1ccccc1 58192991 MKEJFTPFQRXNHY-QGZVFWFLSA-N 362.426 2.046 0 40 FEAB Cc1cc(C)n2c(SC3=CC(=O)N(c4ccccc4)C3=O)nnc2n1 20799453 UIPXVQPSLPWCOV-UHFFFAOYSA-N 351.391 2.291 0 40 FEAB CN(C)c1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1 58289539 XPAKWJZIJJGAKJ-UHFFFAOYSA-N 352.438 2.182 0 40 FEAB CCN(C[C@H]1CCOC1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 58251421 RPAIPVDKHARSKL-QGZVFWFLSA-N 371.485 2.323 0 40 FEAB CNC(=O)c1cc(NC(=O)C2CCN(c3ncccn3)CC2)ccc1Cl 58200984 BTSCSHUSHUOXKI-UHFFFAOYSA-N 373.844 2.345 0 40 FEAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 2104051 ROEFHITVKXHEOH-DCXXXQMHSA-N 355.434 2.210 0 40 FEAB biogenic COc1cc(/C=C/C(=O)NC(=O)c2ccccc2O)ccc1OC(C)=O 2104639 NISZLIJBKRGIAU-CSKARUKUSA-N 355.346 2.296 0 40 FEAB biogenic Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(c2ccccc2)CCC1 10373100 XWNRSPOGPBONBR-UHFFFAOYSA-N 358.463 2.494 0 40 FEAB CNC(=O)c1nn(CN(C)Cc2ccc(C)cc2)c(=O)c2ccccc12 10913215 VKZBLSKJEXOAMO-UHFFFAOYSA-N 350.422 2.154 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc(Cl)cn1 12857788 BYPQIKJVPNADJI-UHFFFAOYSA-N 350.781 2.383 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Br)c1 3579142 ZQMYOAOWIQHTBK-UHFFFAOYSA-N 359.183 2.193 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)Nc3cccc(C)n3)c(=O)c2cc1OC 18169868 BKSXIULRBLCMCQ-UHFFFAOYSA-N 355.350 2.207 0 40 FEAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 13752302 OBPIIJDTKKNABO-UHFFFAOYSA-N 373.432 2.079 0 40 FEAB CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709450 ADOQATRNKVDXGU-UHFFFAOYSA-N 367.449 2.370 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 6566293 IDRCQNXHNHVUET-UHFFFAOYSA-N 373.839 2.349 0 40 FEAB COc1ccc(N2C(SCC(C)C)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 6673369 WHULVTWIIUXAGF-GJZGRUSLSA-N 354.497 2.426 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(-n2c(S)nc3ccccc3c2=O)c1 5693118 CYTNQPIEYSZRIL-UHFFFAOYSA-N 362.432 2.174 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCSc1nc2ncccn2n1 14707891 MQLISWBPYHECDG-UHFFFAOYSA-N 353.407 2.293 0 40 FEAB NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 15952032 GYEFQTRTZGYXHI-UHFFFAOYSA-N 350.450 2.082 0 40 FEAB O=C(NCCn1c(C2CC2)n[nH]c1=S)[C@@H]1COc2ccc(F)cc2C1 90654698 JMIVJZWWNMBBNB-LBPRGKRZSA-N 362.430 2.325 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 68536282 YJDDZCFIQIVADS-LLVKDONJSA-N 355.394 2.261 0 40 FEAB CCNC(=O)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 7984647 XHLLYQSNEZUCJM-UHFFFAOYSA-N 371.393 2.172 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 7987339 BBUSFXMKFVVJCZ-LJQANCHMSA-N 372.490 2.236 0 40 FEAB CCSc1nnc(NC(=O)CCc2c(C)nc3ncnn3c2C)s1 8269091 HAONVGORYPWCHV-UHFFFAOYSA-N 363.472 2.276 0 40 FEAB COc1ccc(OCCN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 8306273 OFUHLKLGLUUJFP-UHFFFAOYSA-N 367.405 2.093 0 40 FEAB Cc1cc(N2CCC[C@@H](Nc3ncnc4cccc(F)c34)C2=O)n(C)n1 78675176 ZKSUSNNZJNGFBG-CQSZACIVSA-N 354.389 2.418 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2(O)CCCCC2)CC1 86560858 ZALYQMBHXHPJTD-UHFFFAOYSA-N 350.846 2.320 0 40 FEAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1 518514920 FFSJJIZVCBPQCL-CQSZACIVSA-N 350.463 2.090 0 40 FEAB O=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)[C@@H]1CCCN1 35191226 YSTYTGVQJDNAKE-IBGZPJMESA-N 366.465 2.310 0 40 FEAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@H]1COc2ccc(Cl)cc2C1 529818817 DJHYMXFCFALXKL-QRWLVFNGSA-N 373.836 2.374 0 40 FEAB Cc1cc2cc(CNC(=O)CCn3nnc4ccccc4c3=O)ccc2[nH]1 560794193 ZUACWHXGELXLKV-UHFFFAOYSA-N 361.405 2.288 0 40 FEAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 226036656 NBJKFPHPPIEERD-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1F 224313181 KBPUJAQAUXVUCV-UHFFFAOYSA-N 358.421 2.344 0 40 FEAB C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 225090002 UZDNWZQURZKKMS-AWEZNQCLSA-N 372.446 2.422 0 40 FEAB CN1CCN(c2ncc(NC(=O)c3ccccc3C(F)(F)F)cn2)CC1 224252768 CNMOFFUBLBVGHJ-UHFFFAOYSA-N 365.359 2.500 0 40 FEAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222986035 VWGLKFFSGGINRH-QAPCUYQASA-N 362.470 2.364 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 45671255 FRUHJIHTDQFGNT-CVEARBPZSA-N 360.479 2.491 0 40 FEAB C[C@@H]1CN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)CC[S@@](=O)C1 581057703 LQJLIUGZVJGYOD-XELLLNAOSA-N 361.471 2.229 0 40 FEAB Cn1cc(CN2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cn1 96052250 CIAXWVMGMAIZCW-SFHVURJKSA-N 354.454 2.287 0 40 FEAB CCNC(=O)N1CCC2(CC1)NCCn1c(-c3ccc(F)cc3)cnc12 96263399 XHAZMTUWRIGIAF-UHFFFAOYSA-N 357.433 2.313 0 40 FEAB O=C1CO[C@@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccccc1 96051272 SZHZDERATCHMSG-OAQYLSRUSA-N 370.424 2.460 0 40 FEAB Cc1ccc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)cc1 248074003 GYOIRQJCPDAUQB-IBGZPJMESA-N 358.482 2.367 0 40 FEAB CN(C[C@@H](O)c1ccccc1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 583622194 WQUPREXPEJDTGD-OKZBNKHCSA-N 373.476 2.125 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)[C@@H]1COc2ccccc2O1 244970219 HOJHTPCCEMXFIZ-ZQIUZPCESA-N 355.394 2.123 0 40 FEAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(C(=O)c3cccn3C)CC2)C1 248124968 LKPVGZVGJIHDIA-SFHVURJKSA-N 373.497 2.152 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 247800748 FONCZTHMVCCEHZ-INIZCTEOSA-N 355.394 2.063 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)CN)cc1 242522183 IKTCSXCRBBOLAE-GVDBMIGSSA-N 350.871 2.244 0 40 FEAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)CC2)ncn1 257210275 BTXSIIGLCLOSBY-CQSZACIVSA-N 359.499 2.480 0 40 FEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC[C@@H]2CCCO2)Nc2ccccc21 257228328 FTKQZEGZNOQBTM-MXUQFAONSA-N 369.465 2.270 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 260902705 VFSZNNAPLWSNSR-HNNXBMFYSA-N 365.499 2.287 0 40 FEAB C[C@H](C(=O)N1Cc2ccccc2OC(C)(C)C1)n1cnc2c(N)ncnc21 614944948 NAUSQSYFOKHHIO-GFCCVEGCSA-N 366.425 2.169 0 40 FEAB O=C(NCc1nn[nH]n1)c1cc(COc2c(Cl)cccc2Cl)on1 675156746 PTPOPPBWXPWPEW-UHFFFAOYSA-N 369.168 2.004 0 40 FEAB Cc1cc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c(C)nn1 683784617 KLQDHYWWXXJATA-UHFFFAOYSA-N 354.410 2.127 0 40 FEAB Cc1ccc([C@@H](C)CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)cc1 1775962080 RMPMAMPDKURNGD-INIZCTEOSA-N 368.481 2.459 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 604354727 PKIVVVKZYKEYAA-UHFFFAOYSA-N 354.454 2.005 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc3ncccc3c1)[C@@H](C)C2 585097723 NFZIHWPDPVJVRF-ZDUSSCGKSA-N 351.410 2.060 0 40 FEAB Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNc2ncc(Cl)cc2Cl)C1 685940512 CEYHVKOXIRRHDJ-VAOFZXAKSA-N 358.229 2.189 0 40 FEAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1noc(C2CCC2)n1 685940228 RKUJZRDWVNKJDK-AWEZNQCLSA-N 358.446 2.489 0 40 FEAB O=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 49718402 PANMQTVMGUTMRU-UHFFFAOYSA-N 372.490 2.407 0 40 FEAB O=S(=O)(NC1CCCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 58370442 RAAOXEHQRDQFOG-UHFFFAOYSA-N 372.512 2.128 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SC)s2)CC1=O 5076864 XVNOCIMXBRDDAD-SECBINFHSA-N 364.452 2.260 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 5944790 VSAXCCKKTPSXQE-UHFFFAOYSA-N 369.240 2.027 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cc(F)ccc1F)OCCO2 13090267 PYCLVNWZFGVUKT-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 13789958 HYAWZXUTZVTSGJ-SNVBAGLBSA-N 371.509 2.482 0 40 FEAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCc1cccnc1 14001168 FBQCRKPRCRAUKD-UHFFFAOYSA-N 365.368 2.118 0 40 FEAB C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 15350776 AMNUZWHSANUOKZ-LBPRGKRZSA-N 373.906 2.403 0 40 FEAB Nc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc2ccccc12 19202769 OHESBIBFBVEWAW-UHFFFAOYSA-N 359.437 2.411 0 40 FEAB NC(=O)C1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)CC1 19405702 ZBOFELUOKMFIPA-MRXNPFEDSA-N 353.426 2.092 0 40 FEAB CCn1nc(C)c([C@H](C)NC(=O)c2cnc3scc(C)n3c2=O)c1C 19523782 VTCVZKWWHRHTAF-JTQLQIEISA-N 359.455 2.389 0 40 FEAB Cc1c(C)c(NC(=O)/C=C/C(=O)O)c(C)c(C)c1NC(=O)/C=C/C(=O)O 1735869 QGURKEDVMAPLBA-KQQUZDAGSA-N 360.366 2.079 0 40 FEAB CC(C)(C)c1noc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 500410867 PSECTIRSXUATJW-PBHICJAKSA-N 355.442 2.356 0 40 FEAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCSc1ccccc1 7499211 TUGRXYZRRIZZFG-UHFFFAOYSA-N 357.414 2.388 0 40 FEAB COc1cc(N2CC[C@@H](Oc3ccncc3Br)C2)ncn1 1889102335 UVALKFVSBQCSDA-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)Nc1nccs1 4377054 GRRFZVGYUPIIOM-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1N 4585968 JBBBEINRJMGMFZ-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB O=C1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)CN1Cc1cccc(F)c1 2055795669 BGIQGQNVVGSXLP-MRXNPFEDSA-N 360.429 2.203 0 40 FEAB Cc1cc(CN2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)n(C)n1 2055751261 BBNYRWODPUMRAB-FQEVSTJZSA-N 355.486 2.263 0 40 FEAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2cccc3[nH]ccc23)C1 2055771964 MWOYGTQJLAYFKT-HXUWFJFHSA-N 351.454 2.444 0 40 FEAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ncccn1 22732267 ALKITBSTPRUITG-LBPRGKRZSA-N 366.468 2.110 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCCOC)c1-c1ccccc1 5300049 LCLVYAXGMTUTJG-UHFFFAOYSA-N 358.394 2.112 0 40 FEAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCn1cccn1 40072368 PZGLKMDVFASUNA-QGZVFWFLSA-N 358.442 2.340 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1-n1cccn1 40133796 BXLSNDUMJWIRHO-UHFFFAOYSA-N 360.377 2.006 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)N[C@@H](c2ccccc2)C2CC2)=NN1c1ccccc1 30803413 UEUCUBWICBTNIN-OALUTQOASA-N 362.433 2.374 0 40 FEAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 2632764 HTKNOQFRRXNBPS-UHFFFAOYSA-N 357.351 2.230 0 40 FEAB CS(=O)(=O)Nc1ccc(CS(=O)(=O)c2ccc(F)c(F)c2)cc1 75610537 JKECQZSTRIMTQL-UHFFFAOYSA-N 361.391 2.310 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O 4503995 GIGBJGXMBLJKEO-SGMGOOAPSA-N 351.834 2.076 0 40 FEAB Cc1c(Br)cnn1CC(=O)N[C@@H](Cn1cccn1)C(C)(C)C 2780771 WMAIDUJROHESLQ-ZDUSSCGKSA-N 368.279 2.382 0 40 FEAB Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)no1 24743313 CDJNZCXBYHTCRY-UHFFFAOYSA-N 370.456 2.151 0 40 FEAB CCOC(=O)c1cccc(OC[C@H](O)CNCCN(C(C)C)C(C)C)c1 22782779 DXCUERULBCUFBO-GOSISDBHSA-N 366.502 2.311 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100487001 FRVHIMILJVKLLT-CVEARBPZSA-N 359.422 2.009 0 40 FEAB CC(=O)Nc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1F 23053300 SDXDJGZSHSBWDT-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Cl 23930272 LULMSPHKXLBEQH-QPJJXVBHSA-N 361.873 2.084 0 40 FEAB CC(=O)Oc1ccccc1-c1nc2s/c(=C/c3ccc(C)o3)c(=O)n2n1 1129998 RLLATJVTHANBBZ-OQLLNIDSSA-N 367.386 2.192 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccco4)no3)C2=O)cc1 24835642 AVWAFILVZFHGGX-GOSISDBHSA-N 368.349 2.305 0 40 FEAB O=C(COc1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1 23625323 RDMFDCPYDCDDSG-UHFFFAOYSA-N 350.434 2.356 0 40 FEAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3285721 YYNGUBBFEJPSPS-UHFFFAOYSA-N 373.361 2.375 0 40 FEAB O=C(O)COc1ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c(O)c1 1799835 YELRFLUKQXWUQI-UHFFFAOYSA-N 358.346 2.442 0 40 FEAB biogenic CC(C)NC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10076593 BXACWQHUVRZEEK-UHFFFAOYSA-N 358.417 2.145 0 40 FEAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 23127778 MDXGNDDPSBALSV-SFHVURJKSA-N 364.442 2.178 0 40 FEAB O=C(CNC(=O)C1CCCC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58202405 VUNSCGVPKZTFPD-ZDUSSCGKSA-N 365.424 2.214 0 40 FEAB COc1ccc(N(C)C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cn1 58224885 LWROCUUTNRSXSS-UHFFFAOYSA-N 354.341 2.052 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C)s2)cc1 3386788 HMQWKLHFPHEMFS-UHFFFAOYSA-N 350.469 2.344 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 22227166 MBYNOOAKOIPHAV-UHFFFAOYSA-N 366.508 2.336 0 40 FEAB CC(C)NC(=O)CCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 45575579 PWLBXBBDCNTERL-UHFFFAOYSA-N 360.458 2.139 0 40 FEAB COC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 12918813 MSJINNRMFFKYLL-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB COC(=O)c1ccc(OCc2nnnn2C2CC2)c(Br)c1 13009571 SPTKUHCKZXLPMN-UHFFFAOYSA-N 353.176 2.136 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(N2CCCC2=O)cc1 17665535 AMPAXWMLPGBOCH-UHFFFAOYSA-N 363.377 2.146 0 40 FEAB Cc1nn(CN2CCN(C(=O)C3CC3)CC2)c(=S)n1Cc1ccccc1 14093875 FIXCTEOMARUJSW-UHFFFAOYSA-N 371.510 2.283 0 40 FEAB COc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nnn[nH]2)c1OC 4546438 YAONAPXKRMSZDC-GFCCVEGCSA-N 371.372 2.321 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N(C)C)[C@H]2C(C)C)cc1 4999054 YHGMKICHGBYMLR-BBRMVZONSA-N 369.487 2.054 0 40 FEAB O=C1CSc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2N1 67891555 HFFOQZOZFAXEAB-KGLIPLIRSA-N 367.430 2.342 0 40 FEAB CCN(CC)C(=O)c1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1 7408523 LGENVXIMCDYUOF-UHFFFAOYSA-N 352.398 2.167 0 40 FEAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 15858553 VIUYJRVHMXCNBM-UHFFFAOYSA-N 374.418 2.404 0 40 FEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 9585682 ALNIUNRGADFTJD-GOSISDBHSA-N 357.797 2.406 0 40 FEAB N=c1n(CCc2ccccc2)c2ccccc2n1CCN1CCOCC1 19943528 LQPGNZSXGHYQOE-UHFFFAOYSA-N 350.466 2.497 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)NCCc1csc(-c2cccnc2)n1 19942473 DWGWGPOLFSCHFM-UHFFFAOYSA-N 363.468 2.066 0 40 FEAB CCCc1c(C(=O)N[C@H]2CCC3(C2)OCCO3)[nH]c(C)c1C(=O)OC 95992279 GYSGBNNZTJTHBA-LBPRGKRZSA-N 350.415 2.088 0 40 FEAB CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)COCc1nc(C)no1 89947872 FAGLIJCTTFUJIG-HNNXBMFYSA-N 361.398 2.048 0 40 FEAB O=C(NCc1ccccc1)c1nc(-n2cnnc2)ccc1Br 21721155 GZSFATFOOCDHRS-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1 306141855 WILBOMVUMUEPMO-GOSISDBHSA-N 370.497 2.435 0 40 FEAB COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccccn2)C1 72354477 DKDIWWANERPXOC-IBGZPJMESA-N 353.466 2.345 0 40 FEAB CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 31323840 HHVAVVCCJHQUOK-AWEZNQCLSA-N 357.385 2.289 0 40 FEAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)o2)n1 35597493 NLQRTNBKVPRBTK-UHFFFAOYSA-N 367.408 2.368 0 40 FEAB CC(C)[C@H](N)C(=O)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413467 QLLYXHXOZWISSL-ROUUACIJSA-N 359.470 2.372 0 40 FEAB O=C(c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 72380524 TWCRDULNNKDWPE-INIZCTEOSA-N 372.444 2.401 0 40 FEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 223741024 KSOBXRFFVMJBHN-IAGOWNOFSA-N 358.467 2.346 0 40 FEAB COc1ccccc1N1CCN(c2ncnc3c2ncn3C2CC2)CC1 292335297 CYKXWEMIJYEXPX-UHFFFAOYSA-N 350.426 2.496 0 40 FEAB CCN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3cnccn3)ccc21 96244772 FNRAGORPRYNFBL-UHFFFAOYSA-N 352.394 2.144 0 40 FEAB Cc1noc(C)c1CN1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237880 RVWUPYBTLPOLGI-HXUWFJFHSA-N 354.454 2.215 0 40 FEAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1cccc2[nH]ccc12 95474096 AIOFFSGZAVWBIX-UHFFFAOYSA-N 350.353 2.447 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96159419 ARICSILVVVMTPF-FQEVSTJZSA-N 350.422 2.050 0 40 FEAB Cc1nc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cs1 96111139 CLKQRYVBOHIFKB-HNNXBMFYSA-N 351.472 2.129 0 40 FEAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H](c2ccnc(O)n2)C1 257241622 HYUJSPXCGVUEPD-CQSZACIVSA-N 351.410 2.328 0 40 FEAB Cc1nn(C)c(C)c1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 257274761 NMMVYHANXAUBII-INIZCTEOSA-N 351.458 2.392 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(Br)cc1 585138416 OFDUJXVBVCSETE-OCCSQVGLSA-N 364.243 2.425 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccccc3C(=O)OC)C2)c1F 253473844 ZDMWBXMSAGFHJM-GFCCVEGCSA-N 373.384 2.258 0 40 FEAB Cn1cc(-c2noc([C@@]3(C4CCCC4)CCNC3=O)n2)c(C(F)(F)F)n1 624632732 JZQUMXFJKIBWRO-OAHLLOKOSA-N 369.347 2.437 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1cc(C)n(C)n1)CC2 652453587 WPQLJVQYDLVNGK-INIZCTEOSA-N 359.426 2.320 0 40 FEAB C[C@H]1COc2ccccc2CN1C[C@H](O)COc1ccc(C(=O)O)cc1 652443296 RPSVTCAKUIOGJK-YOEHRIQHSA-N 357.406 2.408 0 40 FEAB Cn1ccc2c(C(=O)N3CCCC[C@@H]3c3n[nH]cc3C(N)=O)cccc21 685941411 BDCXVXZRBRKTOJ-MRXNPFEDSA-N 351.410 2.368 0 40 FEAB Cc1c([C@@H]2[C@@H](CNC(=O)c3ccc(C(F)F)o3)CC(=O)N2C)cnn1C 1615589382 HCDXEBXNCUKVQB-BMIGLBTASA-N 366.368 2.209 0 40 FEAB O=C(c1cnc(C2CC2)nc1)N1CCN(C(=O)c2c(F)cccc2F)CC1 294415223 AWBAWUSWBZNSEV-UHFFFAOYSA-N 372.375 2.230 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)NCc3cccs3)C2)cc1 96121891 ZCUKNUNPXARPCV-UHFFFAOYSA-N 366.464 2.124 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2ncoc2C)[C@@H]1Cc1cccc(F)c1 585280691 NIDMPKFJSJHWJP-IRXDYDNUSA-N 359.401 2.474 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NCc2cccs2)cc1 52714487 VYAYAJZPDCDCON-KRWDZBQOSA-N 373.478 2.476 0 40 FEAB Cn1cc(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)c(C(F)F)n1 1653994741 JUEYLXRSKRRSPD-LBPRGKRZSA-N 363.368 2.453 0 40 FEAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC(C(=O)O)CC1 5325106 FVSLCLOKZGTQOW-RHSMWYFYSA-N 374.462 2.358 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)Nc1ccccc1F 5652044 VKZZIHJCGDHUGZ-UHFFFAOYSA-N 372.385 2.242 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCC(n2nnc3ccccc3c2=O)CC1 12184073 BLRKSZMBLPNTKT-UHFFFAOYSA-N 366.396 2.337 0 40 FEAB COc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582878 SOIVUGFGZXUASZ-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB COc1ccc(CC(=O)N2CCC(O)(c3cccnc3F)CC2)cc1OC 19560358 RDMDHVSQNQHAAM-UHFFFAOYSA-N 374.412 2.291 0 40 FEAB O=C(c1cccs1)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396690 PBKFRRJMAHAXDE-CYBMUJFWSA-N 368.480 2.313 0 40 FEAB CCC(CC)C(=O)N1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19500077 UBVQTOAVKOMMAU-MRXNPFEDSA-N 371.485 2.320 0 40 FEAB COc1cnc(O[C@H]2CCN(c3ccncc3Br)C2)nc1 2086966134 COCSNBNEXPIWBV-JTQLQIEISA-N 351.204 2.300 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccncc3)CC2=O)cc1OC 4272715 JEPLZJWECXATEC-ZDUSSCGKSA-N 356.382 2.026 0 40 FEAB CCOC(=O)c1c(SCC(=O)Nc2ccccc2C)nc(=O)[nH]c1C 4317568 NGOIYRJZZVCJEE-UHFFFAOYSA-N 361.423 2.294 0 40 FEAB O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccccn1 9001170 PNCPPIOVCYVELA-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n(C)n1 11694290 NZXFFYSPPVCVQN-UHFFFAOYSA-N 350.444 2.010 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cccc(C)n2)CC1 2055732565 OVRDMRKHEZKPDK-UHFFFAOYSA-N 370.428 2.362 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccc2)C1 2055747722 OVRQFTSXPBITRH-HXUWFJFHSA-N 355.413 2.197 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cncc(C)c2)CC1 2055730211 LWPNOWBYPUVNEE-UHFFFAOYSA-N 370.428 2.362 0 40 FEAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220869403 UTRBZHKSLXABGW-LBPRGKRZSA-N 370.438 2.386 0 40 FEAB O=C(c1cncc(Br)c1)N1CCC[C@H](Oc2ccncn2)C1 575604797 FKAPLFROAQYHIN-ZDUSSCGKSA-N 363.215 2.318 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1c(OC)cccc12 100030033 YGMHFWZWPBFLNT-DCGLDWPTSA-N 350.440 2.234 0 40 FEAB Cc1nc2ccccc2nc1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 40159001 UPLJGHABNXCHGH-YJBOKZPZSA-N 357.435 2.435 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2ccccc2O)CC1 30982010 QKQQUKKXJFQJFZ-HNNXBMFYSA-N 369.421 2.064 0 40 FEAB O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 100453975 RSURMRTXGBZJNJ-HUUCEWRRSA-N 370.405 2.128 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(I)cc1 31551417 SQZCFOJYGMNXHH-JOYOIKCWSA-N 372.206 2.392 0 40 FEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 20736122 MGGXLHMSSFARPG-AWEZNQCLSA-N 353.378 2.250 0 40 FEAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N(C)C)C1 1340217 DNINEBBNVNIKJX-CQSZACIVSA-N 374.510 2.475 0 40 FEAB COc1ccc([C@]2(OC)Oc3cc(OC)ccc3C(=O)[C@]2(O)OC)cc1 1674549 BBLDREXMAWMDML-OALUTQOASA-N 360.362 2.113 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CC(=O)N(c2ccccc2Br)C1 32796069 MFNWIKRFPOOXCZ-QMMMGPOBSA-N 365.149 2.481 0 40 FEAB Cn1nc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c2ccccc2c1=O 32772613 CPSHDWYTBKSUCQ-UHFFFAOYSA-N 362.345 2.031 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C1=O 21553645 XIOSSVQSWHFOMC-OAHLLOKOSA-N 367.283 2.410 0 40 FEAB Cc1ccc2nc(CN(C)C[C@@H]3COc4ccccc4O3)cc(=O)n2c1 6586853 RXQWJEGNOBSPMF-MRXNPFEDSA-N 351.406 2.275 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)N4C[C@@H](C)O[C@H](C)C4)sc3nc12 2722913 PPTSYZQNRYEZKP-VXGBXAGGSA-N 357.435 2.467 0 40 FEAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 101274919 SVBFZWZIWYGXLX-OAHLLOKOSA-N 370.361 2.146 0 40 FEAB Cc1cc(Br)oc1C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 76042514 BTJNZHUELCXLGI-UWVGGRQHSA-N 364.261 2.388 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)c1cccs1 77184979 CUWDFYPJNCKQKZ-INIZCTEOSA-N 368.842 2.373 0 40 FEAB NC(=O)C1(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CCCCC1 77642127 PGIRYIBZQKJEDB-UHFFFAOYSA-N 370.428 2.418 0 40 FEAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(F)cc1 23413593 CJBKAKVWPIQOJZ-UHFFFAOYSA-N 363.439 2.445 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3c2)cc1 55633524 DPUFYVYJRLTRSL-UHFFFAOYSA-N 370.386 2.161 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 25453852 VAPJPTRWOLPGDH-UHFFFAOYSA-N 363.391 2.354 0 40 FEAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 3376305 UEKAXPNRGJYENU-RUDMXATFSA-N 367.357 2.465 0 40 FEAB O=C(NCc1ccoc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48253753 PTTBNYDHWYEAKM-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccco2)n2nnnc2N3)c1 10297024 UHTRDOXENKHQLY-HNNXBMFYSA-N 363.337 2.132 0 40 FEAB COC(=O)CCN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 58216092 YEDODSOIEPEAHI-UHFFFAOYSA-N 367.449 2.433 0 40 FEAB CC(=O)N[C@H](CC(=O)O[C@H](C(N)=O)c1ccccc1)c1ccc(C)cc1 10375042 KIMHROCFIVMRQM-MJGOQNOKSA-N 354.406 2.332 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 306129484 IEPGWEUZFZNNOL-OAHLLOKOSA-N 351.410 2.184 0 40 FEAB CCOC(=O)N[C@@H](C(=O)O[C@H](C)c1cccc(-n2cnnn2)c1)C(C)C 48324844 KCRNNTHFYYJWRT-IUODEOHRSA-N 361.402 2.037 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCc3ccco3)N=C2O)cc1 36594992 XWIAZEABZZSRCD-MRXNPFEDSA-N 371.393 2.010 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 12870985 HYXYEZKCUOACJH-CYBMUJFWSA-N 353.382 2.467 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 11566087 VLZXGNCULODTRB-UHFFFAOYSA-N 371.673 2.500 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)CSc2ncc3ccccn23)cc1 8710173 DWBJMANTKHXSTJ-UHFFFAOYSA-N 361.448 2.469 0 40 FEAB C[C@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 12975907 BHHYODMOLHNQFL-ZUOKHONESA-N 355.438 2.242 0 40 FEAB Cc1cc(NC(=O)CSc2nc(N)cc(N)n2)ccc1Br 3605733 VCZHVLKJNNHYJI-UHFFFAOYSA-N 368.260 2.443 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1cccc(F)c1 13069188 PCDCLYFRUQUURY-UHFFFAOYSA-N 353.371 2.353 0 40 FEAB O=C(NCc1nc(-c2ccsc2)no1)N[C@@H](Cc1ccccc1)C(=O)O 13241898 QPKMYWIRFKFTEB-ZDUSSCGKSA-N 372.406 2.293 0 40 FEAB CC(C)c1ccc(CN2CCN(C(=O)CSc3nncn3C)CC2)cc1 18770534 QECXXTZAPWKCMV-UHFFFAOYSA-N 373.526 2.375 0 40 FEAB COc1ccc(CCN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 6052193 FBUPFNDYMPISHA-HOTGVXAUSA-N 358.438 2.087 0 40 FEAB CN1CC(=O)N(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 39985649 UVZBREDOKIMCJQ-CQSZACIVSA-N 356.378 2.113 0 40 FEAB O=c1c2c3c(sc2ncn1C[C@@H](O)c1ccccc1Cl)CNCC3 65369811 YVVVFFMJGQCIEE-CYBMUJFWSA-N 361.854 2.491 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 4555255 WZRDECZHWUVOPD-OAHLLOKOSA-N 353.374 2.474 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O 14345090 KEONMYIJPXCWEA-CYBMUJFWSA-N 360.439 2.454 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(C)cc2C)CC1 24389429 QVVCASMBPNCUFW-UHFFFAOYSA-N 366.527 2.414 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1C 4884365 DYTDLNVAHJWFTL-UHFFFAOYSA-N 359.407 2.385 0 40 FEAB O=C(NCc1nnc2ccccn12)c1ccc(OC[C@@H]2CCCO2)cc1 6851127 QGHXBXWGOMEUPW-INIZCTEOSA-N 352.394 2.217 0 40 FEAB COc1cccc(CN2CCC[C@@H](c3[nH]ncc3NS(C)(=O)=O)C2)c1 96000008 YYGXTYOSCCFMDF-CQSZACIVSA-N 364.471 2.169 0 40 FEAB C[C@H]1c2ccsc2CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 7830624 VEWSLAFTOFSNEO-LBPRGKRZSA-N 361.467 2.449 0 40 FEAB CCn1cc(C(=O)OCc2ccc(C(N)=O)cc2)c(=O)c2ccc(C)nc21 16753500 BHAVGMNLZPBDHS-UHFFFAOYSA-N 365.389 2.181 0 40 FEAB C[C@H](Oc1cccc(Cl)c1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 17114368 HTJBAVUHTLXLDJ-NSHDSACASA-N 365.817 2.393 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCO 8574774 MLPARDZBUQTNIU-GOSISDBHSA-N 353.353 2.459 0 40 FEAB Cc1c(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)oc2c1C(=O)CCC2 84067689 UYOYXPGMLGOWDK-LBPRGKRZSA-N 364.467 2.394 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)N3CCN(c4ncccn4)CC3)cc2)o1 97011091 SDWIYZKOUHWKAC-UHFFFAOYSA-N 365.397 2.189 0 40 FEAB CC(C)(C)OC(=O)NCc1ccc(C(=O)O[C@H]2CCS(=O)(=O)C2)cc1 84240733 LJSGGZXHNMOIHN-AWEZNQCLSA-N 369.439 2.055 0 40 FEAB CCCNC(=O)CNC(=O)Cc1csc(-c2ccccc2OCC)n1 22692486 MDEUHLOYCAIWNL-UHFFFAOYSA-N 361.467 2.394 0 40 FEAB CCOc1cc(NC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1OC 95983845 JKEAFGJFSQLPHI-CYBMUJFWSA-N 356.444 2.135 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1Cl 408598017 YUZMBJINJXZALX-LBPRGKRZSA-N 374.890 2.274 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CC(OCCCc2ccccc2)C1 75093386 DLSWGSYSIDSHDK-UHFFFAOYSA-N 363.417 2.397 0 40 FEAB NC(=O)CNC(=O)c1cccc(OCc2ncc(-c3cccs3)o2)c1 75110119 MGZWYAPQIDTMJS-UHFFFAOYSA-N 357.391 2.197 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCn2cncc2C1 89904973 XNXSHPKKCTUHII-ZBFHGGJFSA-N 350.426 2.246 0 40 FEAB Cc1nn2cc(S(=O)(=O)N(C)c3ncccc3F)cnc2c1Cl 501014146 OONVRTDHYPEHTH-UHFFFAOYSA-N 355.782 2.050 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524731022 HACNJXQQOGZAPA-BPQIPLTHSA-N 354.450 2.023 0 40 FEAB biogenic C[C@@H](c1ccccc1)N1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080485 SCRGRGKCTQTHEU-ZYSHUDEJSA-N 370.474 2.262 0 40 FEAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1 32827218 ROAILDUMCSJLIR-UHFFFAOYSA-N 355.441 2.471 0 40 FEAB COC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 31764795 NBSBQCAFJDOMEC-LBPRGKRZSA-N 373.434 2.159 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1OC 33688080 AUXKDGLZZZSMSH-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 49941854 AWGKZPIHZIUHFC-OAHLLOKOSA-N 371.264 2.386 0 40 FEAB CCCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 41085505 NZSUAELTEIVXDN-UHFFFAOYSA-N 358.445 2.081 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 224994634 AMHGDXKIZBSLAG-UHFFFAOYSA-N 354.457 2.001 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 223369008 ZOASBVYICCCAAB-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB O=C(c1ccc2ccccc2c1)N1CCN(c2cncc3ncnn23)CC1 570754172 BYHYJILOLNMSHO-UHFFFAOYSA-N 358.405 2.240 0 40 FEAB CSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(F)cc2)n1 46086765 GFOATSDNODRKOE-UHFFFAOYSA-N 354.794 2.360 0 40 FEAB CN(c1ccc(OCC(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 225099437 VZNSZFOWNPGOFY-UHFFFAOYSA-N 352.456 2.078 0 40 FEAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccoc1)CC2 96199879 RCDDPGUBFZHNNL-MRXNPFEDSA-N 356.426 2.024 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96242309 NSMPPJNSFVDYFD-HNNXBMFYSA-N 356.466 2.349 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)n1 96048987 MNXBIRSQCIHHMO-UHFFFAOYSA-N 372.494 2.354 0 40 FEAB CC(C)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95475690 SCASLNOXBPWBDI-SECBINFHSA-N 365.231 2.203 0 40 FEAB CCc1cnc(N2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)nc1 96077931 YLVPHBZBDMOGEJ-IBGZPJMESA-N 355.442 2.273 0 40 FEAB O=C(c1ccncc1)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 96110411 IUOFRMSLJFNKAL-QUCCMNQESA-N 353.422 2.315 0 40 FEAB CCCC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 585087023 MAFOKOVVLIMMPJ-CQSZACIVSA-N 351.451 2.266 0 40 FEAB Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1 96104157 ZMOFJWJPVDBMGM-FKEKPDDDSA-N 371.462 2.395 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1CN(Cc2ccco2)Cc2cncn21 247463154 BRDXXMVGSUBCAS-KRWDZBQOSA-N 356.451 2.453 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)ncn1 257302749 SEDYGYPHHRERPM-QGZVFWFLSA-N 358.442 2.183 0 40 FEAB NC(=O)CN1CCC(CCc2ccnc(NC(=O)C3CCCC3)c2)CC1 257264326 LTXMCHHHNFXRTJ-UHFFFAOYSA-N 358.486 2.340 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1 257244835 INAJWBUGSGGRCX-ZDUSSCGKSA-N 352.485 2.191 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3ncccn3)CC2)C1 257252576 JVFZIRXFUSDFQV-QGZVFWFLSA-N 352.438 2.377 0 40 FEAB Cc1c(CN2CCc3c(O)nc(N4CCC[C@@H](C)C4)nc3C2)cnn1C 257339417 ZBQGMYGADRQWEP-CYBMUJFWSA-N 356.474 2.019 0 40 FEAB Cn1ccnc1CN1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 257324059 WMYNHQDEKFBEJY-HNNXBMFYSA-N 364.457 2.198 0 40 FEAB COc1ccc(CNC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 298101652 LCWOZSOGPWUXGA-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB CC(C)CNC(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1776009576 JTZQDIMUVOZBBS-UHFFFAOYSA-N 357.252 2.448 0 40 FEAB O=C(Nc1nnc2nc[nH]n12)C1(c2cccc(OC(F)(F)F)c2)CCC1 585108870 UUCQHORALZZFAE-UHFFFAOYSA-N 366.303 2.411 0 40 FEAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2C)C3)C1 585112593 RQFVKXRKIBCMSV-MRXNPFEDSA-N 355.438 2.402 0 40 FEAB O=C1C[C@@H](c2ccccc2)N(C[C@H](O)COc2ccc(F)cc2)CCN1 52835128 BCSPZAAVPTZKOL-HKUYNNGSSA-N 358.413 2.129 0 40 FEAB CC(C)(O)C(C)(C)OB(O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 200330965 RMBFWQBXQRFPRY-UHFFFAOYSA-N 359.206 2.332 0 40 FEAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC(C)(C)C)nc4c23)C1 12240205 ZQAPCVZWKLQXJV-SNVBAGLBSA-N 373.482 2.145 0 40 FEAB CC(C)C(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@H]1CCCO1)n2C 13691956 LWGGBCVETSMHQL-QGZVFWFLSA-N 372.469 2.396 0 40 FEAB CC[C@H](C(=O)NCc1ccncc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713382 OJZKXVMFLXCTOF-QGZVFWFLSA-N 361.467 2.251 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncnc4c2cnn4C)C3)n1 1888904125 XMCIISJQVSPXCH-IFXJQAMLSA-N 365.441 2.147 0 40 FEAB COc1ccc(C)c2sc(N3CCO[C@H](C(=O)N4CCCC4)C3)nc12 1889141278 KVDXBRHCTSAPLJ-AWEZNQCLSA-N 361.467 2.441 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCC[C@H](C)C3)CC2=O)cc1 28831871 WDWIXGHKOJDNEA-JKSUJKDBSA-N 358.438 2.150 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 32399633 BZIXCGBJNCYNIW-UHFFFAOYSA-N 372.490 2.268 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)CSc3nnc4ccccn34)ccc21 1094902 KQENGDXRVQVPTE-UHFFFAOYSA-N 367.434 2.369 0 40 FEAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(Cl)cc3)c2=O)cc1 2973126 DBKWTYQYJZAQGV-UHFFFAOYSA-N 371.780 2.440 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 4373562 RRUFYRUQDQRSJE-CYBMUJFWSA-N 369.377 2.351 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccsc1 8863655 GJTPSMVNMZZFPW-CQSZACIVSA-N 353.394 2.384 0 40 FEAB CC(C)(C)OC(=O)c1cc(NC(=O)CN)cc(C(=O)OC(C)(C)C)c1 1857780940 KJACNQVXXRKFBJ-UHFFFAOYSA-N 350.415 2.494 0 40 FEAB Cc1nn(C(=O)c2ccco2)c(C)c1S(=O)(=O)N1CCC(C)CC1 16976578 SAABRZJJYJJVSD-UHFFFAOYSA-N 351.428 2.202 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CC2CCOCC2)C1 2055751213 VVOSGYHNEFCYNY-NRFANRHFSA-N 373.497 2.365 0 40 FEAB CCOc1ccc(CN2CC[C@@H](c3nn(CCN)c4nccnc34)C2)cc1 19533189 JWSGIYQZTXDSPN-MRXNPFEDSA-N 366.469 2.173 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2642243 HEBFXFJHHKRKLX-CQSZACIVSA-N 369.421 2.472 0 40 FEAB Nc1c(C(=O)CSc2nc3ccccc3s2)c(=O)[nH]c(=O)n1C1CC1 8230102 PJQJLQLFXGWTRG-UHFFFAOYSA-N 374.447 2.038 0 40 FEAB CC[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1 32848647 MQUWMNCXTOXYAU-RISCZKNCSA-N 362.357 2.498 0 40 FEAB CCN(CC)CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983792 LZZFKPZTHUTWBK-SDXDJHTJSA-N 354.454 2.244 0 40 FEAB CN1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc34)cn2)CC1 70037574 YMMKPYKNBFNCAX-UHFFFAOYSA-N 364.453 2.030 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)oc1C 21966075 YXUBCKDNSVBGBC-UHFFFAOYSA-N 365.407 2.050 0 40 FEAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CN2CSCC2=O)cc1 52973235 VPZRDBNSFXUTLO-HNNXBMFYSA-N 364.467 2.027 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1 627824 OXEKIWPZGOVUQC-UHFFFAOYSA-N 366.870 2.418 0 40 FEAB O=C(O)CCNS(=O)(=O)c1ccc(Br)c2ccccc12 12290926 XGBCLPAJCFBBBS-UHFFFAOYSA-N 358.213 2.355 0 40 FEAB C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(N)=O)n2Cc2ccco2)C1 103419381 OCYNWQCHWXHPCY-JHJVBQTASA-N 363.487 2.368 0 40 FEAB Cc1cccc(OCCN(C)C(=O)c2ccc(N3CCOCC3)nc2)c1 22420134 WKVGYFQJAJOWGA-UHFFFAOYSA-N 355.438 2.378 0 40 FEAB CCOC(=O)C1=C(CN(C)[C@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C 24250452 UROXXZZWNLGITJ-GHMZBOCLSA-N 367.396 2.476 0 40 FEAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 44121194 ALJGSLLYRYYUQU-KRWDZBQOSA-N 368.437 2.248 0 40 FEAB Cn1c(=O)c([C@@]2(C)NNC(=S)N2c2ccccc2)c(O)c2ccccc21 104807781 JFCBHQOTWJRLFP-IBGZPJMESA-N 366.446 2.316 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1 57521066 MDIAKEHCWXNFOD-UHFFFAOYSA-N 372.406 2.077 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O 58182397 AMERDAGVCOOSMV-GOSISDBHSA-N 373.434 2.471 0 40 FEAB Cc1nc(C2(NC(=O)CNC(=O)Cc3ccccc3)CCCCC2)no1 58213236 HQYCQEOWHNLDRL-UHFFFAOYSA-N 356.426 2.013 0 40 FEAB C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 12647478 KFOLJHIBUCPNKO-SNAWJCMRSA-N 356.451 2.448 0 40 FEAB C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c21 2348539 YOBNPDDGTGZJPC-JTQLQIEISA-N 358.471 2.070 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCCCOC2CCCCC2)cc1 11356310 MALIUFCUQZEQTC-UHFFFAOYSA-N 354.472 2.064 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1 11366582 QUTCSEFHRGHGPX-UHFFFAOYSA-N 373.482 2.489 0 40 FEAB O=C(CCCn1cncn1)NCc1cccc(C(=O)N2CCCCC2)c1 48251088 MLJPLBQWWIZYBR-UHFFFAOYSA-N 355.442 2.001 0 40 FEAB Cn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O 3597520 GKKSSAGEWVATKR-UHFFFAOYSA-N 361.357 2.455 0 40 FEAB COC(=O)c1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Cl 12989801 UAGICDISVJZTPL-UHFFFAOYSA-N 372.764 2.361 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 408625936 UQTLSZHRRIEASP-UHFFFAOYSA-N 362.451 2.483 0 40 FEAB O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 23127777 MDXGNDDPSBALSV-GOSISDBHSA-N 364.442 2.178 0 40 FEAB COc1cc(-c2noc(CN3CCC[C@H](O)C3)n2)ccc1OC(F)F 39985813 XWDWXQHHCFBHGS-NSHDSACASA-N 355.341 2.303 0 40 FEAB Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2c(C)c(O)ccc12 5207770 HAFSOPMHURSJBM-UHFFFAOYSA-N 369.421 2.451 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc2c(cc1Cl)OCCO2 14093045 OSNNMDYPGRZMGS-UHFFFAOYSA-N 371.780 2.460 0 40 FEAB NC(=O)c1cncc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)n1 301726951 VNQMISFMNIGETH-FUHWJXTLSA-N 351.454 2.066 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1nc2ccccc2[nH]1 14621300 UNBGJAQWAJMVLS-STQMWFEESA-N 355.394 2.171 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCOc1ccc(F)cc1 7736560 RGVJFMQNRWDVSD-LJQANCHMSA-N 356.353 2.434 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)CCOc1ccc(C)cc1 8008458 TWGIVVRHKNJJTJ-UHFFFAOYSA-N 371.389 2.272 0 40 FEAB COc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)c1O 9513767 XPLAOWUPGSGALQ-LLVKDONJSA-N 358.350 2.294 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2cccs2)c1 9698270 NALUSZHXVDWJLL-HNNXBMFYSA-N 371.462 2.334 0 40 FEAB Cc1nc[nH]c1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 72133242 SVEPLPMUQVLVMW-LBPRGKRZSA-N 366.343 2.268 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 25250263 DNFLVRWVMLEZRF-MRXNPFEDSA-N 366.377 2.226 0 40 FEAB O=C(c1cccc[n+]1[O-])N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 95435833 KHHBVSDLFDCERC-ZFWWWQNUSA-N 352.312 2.287 0 40 FEAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(C)n3)N=C2O)cc1 95474174 XZLWZHIFFUNQRV-HNNXBMFYSA-N 368.393 2.052 0 40 FEAB O=C(c1cc(Oc2ccccc2)ccn1)N1CCOC[C@@H]1c1ncon1 95995318 QOGFVLQHYAUDEE-MRXNPFEDSA-N 352.350 2.471 0 40 FEAB Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H]2CCc3ncnn3C2)n1 95960709 KKXJXFHYHNGCQK-CQSZACIVSA-N 351.414 2.217 0 40 FEAB COc1ccccc1OCC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9903930 DMAILRJXEDKVCZ-UHFFFAOYSA-N 369.421 2.412 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N1CCC[C@@H]1c1ccc3c(c1)OCO3)CC2 89740840 XOUUOLCXWJFOHU-HUUCEWRRSA-N 354.410 2.241 0 40 FEAB COc1ccc(N2Cc3nn(Cc4cccc(F)c4)c(=O)n3C2=O)cc1 1547201118 KVFLGWPLOYFZNR-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB c1ccc(COCCN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 306137745 REWBMHKSGZKSHW-IPMKNSEASA-N 354.454 2.052 0 40 FEAB COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1OC 223976568 KQKXTMIOBHVAQS-UHFFFAOYSA-N 351.424 2.199 0 40 FEAB COc1ccc(CNC(=O)NCC2(O)Cc3ccccc3C2)cc1OC 225718066 OWTPEQDPDVNMLM-UHFFFAOYSA-N 356.422 2.033 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 224803244 MEIKSFMCPKUSBF-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108151 DDTMWGKDTFEJAO-QFBILLFUSA-N 358.413 2.321 0 40 FEAB CC(C)C(=O)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145484 SXXCGQDKOISTKF-QZTJIDSGSA-N 364.511 2.138 0 40 FEAB CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]21 96318857 HDHIZXDDRJMVJT-CKYFFXLPSA-N 363.416 2.141 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)CCN(CC2CC2)C3=O)cc1 96157823 IFHMRRQLANUBEX-UHFFFAOYSA-N 356.466 2.489 0 40 FEAB O=C(Nc1ccncc1)c1nc2c(s1)CCN(c1ncccn1)CC2 96264736 LPYOGJZCDCVRKO-UHFFFAOYSA-N 352.423 2.186 0 40 FEAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@H]1CCCS1(=O)=O 580900077 GUJOEWPQBZYBGZ-MRXNPFEDSA-N 364.467 2.183 0 40 FEAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257234907 GVOMIRQYKKJVTA-IBGZPJMESA-N 358.417 2.028 0 40 FEAB COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)CN1CCCC1 257310044 UDLPPFOIJJFBLP-KRWDZBQOSA-N 354.454 2.379 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)ncn1 257209445 BQJPNJOACHPPOR-ZDUSSCGKSA-N 352.398 2.176 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)cn1 257311851 ULHDIVSSVJQEJR-MRXNPFEDSA-N 356.474 2.203 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575406340 NLSMPGYNRCDEQB-AWEZNQCLSA-N 361.471 2.089 0 40 FEAB CN1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@H](C(=O)N(C)C)C1 585282956 KJGGTQDHLBNQIX-SJBKTWHCSA-N 373.541 2.027 0 40 FEAB C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 585104070 IJJQGTCMGCUXOO-UZLBHIALSA-N 352.438 2.293 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@H]1C 585097531 LDFMRPVSQABYDC-OAHLLOKOSA-N 369.469 2.086 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 5007149 RDHSGYGWVJJQLA-DAYGRLMNSA-N 350.484 2.190 0 40 FEAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 11008349 SBWUHZMLLMIJDV-LBPRGKRZSA-N 363.439 2.182 0 40 FEAB Cc1ccc2c(c1)[C@H](NC(=O)CN1CCCC1=O)CC1(CCOCC1)O2 12087031 HKTBYYHJHFPKSI-MRXNPFEDSA-N 358.438 2.106 0 40 FEAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N1CCCC1=O)CC1(CCOCC1)O2 12087033 QCHXITIFLWISBM-NVXWUHKLSA-N 372.465 2.495 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 19496301 MIYVRUUOVMHLMG-YOEHRIQHSA-N 355.438 2.039 0 40 FEAB CSc1nc2c(c(N3CCN(c4ncnc(C)c4C)CC3)n1)CCC2 1888860460 KKXJLDLOIQPVKW-UHFFFAOYSA-N 356.499 2.421 0 40 FEAB CN(CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1)C1CCCC1 2037913006 KDPDOBZEWYBQHZ-HXUWFJFHSA-N 364.461 2.432 0 40 FEAB O=C1CC2(CCN(C(=O)c3cscn3)CC2)Nc2ccccc2CCN1 2037985240 CHAXSHGEEWLHIU-UHFFFAOYSA-N 370.478 2.292 0 40 FEAB Cc1cc(C)nc(N2CC[C@H]3C[C@@H](CN4C[C@H](C)O[C@H](C)C4)O[C@H]3C2)n1 2056225269 HFXXEHIEBSOOMB-PJVZLEMVSA-N 360.502 2.186 0 40 FEAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 12180617 HWIAYTSHAGVRTP-UHFFFAOYSA-N 360.501 2.329 0 40 FEAB O=C(c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCc2ccccc21 12229836 PMQACURGYXUOLN-OAHLLOKOSA-N 371.462 2.323 0 40 FEAB O=C(NCCn1nc(-c2cccs2)ccc1=O)NCc1ccccc1 13605520 JBYNFASNMFLNET-UHFFFAOYSA-N 354.435 2.471 0 40 FEAB O=C(NCC(F)(F)F)[C@@]1(n2ccnc2)CCCN(Cc2nccs2)C1 2055772030 RTQQFFUGDFCWBY-CQSZACIVSA-N 373.404 2.009 0 40 FEAB O=C1CO[C@]2(COCCN(CC3CCCCC3)C2)CN1c1ccccn1 2055751001 XGESJVKNNFVBIZ-FQEVSTJZSA-N 359.470 2.096 0 40 FEAB CN([C@H]1CCCN(c2ncnc3sccc23)C1)S(=O)(=O)C1CC1 2086889450 BNIAFOFYSCKJQY-NSHDSACASA-N 352.485 2.084 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1 9570614 VLDUJXKDFKLWGR-UHFFFAOYSA-N 362.187 2.256 0 40 FEAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cc[nH]n1 40105383 XCSJSNLVQLIUGW-SOZFHFLDSA-N 358.486 2.383 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40118617 HYERLUCENHYURI-ZDUSSCGKSA-N 366.414 2.063 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1cnc(SC)n1-c1ccc(F)cc1 46217221 ZFDMYNIZDBHWDC-UHFFFAOYSA-N 351.403 2.415 0 40 FEAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1N 1364448 CNYJUVDYLITDIL-UHFFFAOYSA-N 353.451 2.473 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 21348307 KBMAKKMTPFZUEU-INMHGKMJSA-N 360.454 2.351 0 40 FEAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2ccc(Cl)cc12 21473971 LXPUDDIFIJNHTO-UHFFFAOYSA-N 361.785 2.209 0 40 FEAB CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)s1 102336086 ZERQHLIPAQPRIP-NGERZBJRSA-N 350.440 2.485 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1OC(F)F 102405257 KJWBJJZGBHKZFU-QWRGUYRKSA-N 352.337 2.402 0 40 FEAB CCc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 21786941 UDIKDKCEVWWHEP-UHFFFAOYSA-N 353.466 2.410 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 103091698 LEWOZDUSGKCEJF-CLROSIBMSA-N 354.406 2.384 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)c(C)s1 46812584 DDNRIVKRMFOBDM-JTQLQIEISA-N 370.418 2.197 0 40 FEAB CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 25125800 KKIMAVWSCHIYKH-UHFFFAOYSA-N 354.435 2.317 0 40 FEAB CN(Cc1ccsc1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 24384716 MLAXRLISKYNBEB-UHFFFAOYSA-N 357.435 2.472 0 40 FEAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)c1 25336238 JWLGIWOGPXYFME-KRWDZBQOSA-N 358.438 2.094 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N(C)Cc3nc4ccccc4[nH]3)cnc12 12535538 UTRGLMNRWRGFDT-UHFFFAOYSA-N 361.405 2.240 0 40 FEAB O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 57267268 XSCLFFNRRJTXCH-UHFFFAOYSA-N 364.493 2.157 0 40 FEAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCN(c2ccccc2O)CC1 57378918 YOEUDNWOJQDQIW-UHFFFAOYSA-N 370.384 2.128 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C3CC3)CC2)c1 10082706 QMGJPDZOZSBNFQ-HNNXBMFYSA-N 365.499 2.118 0 40 FEAB CN1CCN(c2cc(CNC(=O)N3Cc4ccccc4C3)ccn2)CC1 106260686 DGQQATCAOMVIDA-UHFFFAOYSA-N 351.454 2.059 0 40 FEAB CCOC(=O)/C=C1\CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1O 106047744 QHPMGOKMOQDGLM-GKERGOQESA-N 361.413 2.402 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2CCN(C(C)C)C2)cs1 58203084 FTHYDKQDWBRGNO-CYBMUJFWSA-N 352.504 2.127 0 40 FEAB O=C(Nc1ccccc1-n1cccn1)NC1CCN(C(=O)C2CC2)CC1 48152489 CEMMLQMYQWKBHD-UHFFFAOYSA-N 353.426 2.395 0 40 FEAB Nn1c(SCc2ccc(Cl)cc2)nnc(Nc2nccs2)c1=O 28536385 RVPSFNIUWFYRNQ-UHFFFAOYSA-N 366.859 2.498 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H]1CC=CCC1 12850021 QUEFYIDBPKIXAG-GFCCVEGCSA-N 350.440 2.431 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3429884 YTVMFGYZAXQYGU-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCCCC2=O)c1C 13018844 VIEWNTPWWVHCRL-UHFFFAOYSA-N 363.458 2.331 0 40 FEAB COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C)c(OC)c1 13113289 RDTJWSYPNJHDND-IMJJTQAJSA-N 351.443 2.390 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cn2ccsc2n1 6382010 SMHJYJBKZOJCJE-LBPRGKRZSA-N 355.419 2.459 0 40 FEAB O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2-c1ccccc1 14113950 DNMNPJDHUFLBDA-UHFFFAOYSA-N 366.402 2.083 0 40 FEAB CC(=O)Nc1ccc(SCC(=O)NCc2nnc3ccccn23)cc1 14180314 PYCXGVGANCZBJQ-UHFFFAOYSA-N 355.423 2.096 0 40 FEAB CCc1[nH]c(C(=O)OCC(=O)N(C)c2ccccc2)c(C)c1C(=O)OC 14200987 JLBSXGCZRAUNTR-UHFFFAOYSA-N 358.394 2.492 0 40 FEAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 17743642 XCOAZCHKWDYWIK-UHFFFAOYSA-N 368.462 2.458 0 40 FEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccccc1N1CCOCC1 70448704 GHGUQXSUDJJRNQ-AWEZNQCLSA-N 356.470 2.293 0 40 FEAB COC(=O)c1c(NC(=O)N2CCOCC2)sc2c1CC(C)(C)OC2 6755261 FVNFSNBTPUCKEH-UHFFFAOYSA-N 354.428 2.250 0 40 FEAB CCc1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)sc1C 5788958 JTSQGPYTVXXBNZ-UHFFFAOYSA-N 350.396 2.395 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C1=NN(c2ccccc2)C(=O)CC1 5858182 LRFXXNCTBBYXFL-UHFFFAOYSA-N 351.362 2.215 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(Cn2c(=O)cnc3ccccc32)n1 8710645 NEJQSDQHIILCRT-UHFFFAOYSA-N 359.393 2.264 0 40 FEAB C[C@@H](SCc1ccc(F)cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 15492335 CYQKJIHQDWCUOF-BXKDBHETSA-N 365.879 2.404 0 40 FEAB Cc1ccc(OCCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 7287663 RGMQHYFJSZKQBX-UHFFFAOYSA-N 373.453 2.053 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 15976932 URBXDRJRRYYURC-UHFFFAOYSA-N 358.341 2.283 0 40 FEAB CC1(C)COCCN1C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 68379748 ZUHYGQPUZPNVOQ-QGZVFWFLSA-N 374.481 2.332 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccn1 7719283 SYEPTCSDTWUNLS-BFUOFWGJSA-N 350.422 2.488 0 40 FEAB CCC(=O)Nc1cc(S(=O)(=O)NCCCOC(C)C)ccc1OC 408699884 ZXMXCKMCDMJCQZ-UHFFFAOYSA-N 358.460 2.137 0 40 FEAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCC1 8076082 JZJTWQVFGGXKBT-UHFFFAOYSA-N 364.389 2.433 0 40 FEAB CN1CCN(C(=O)C2CC2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 306125680 CXOKBWPPNVSKDL-SFHVURJKSA-N 362.437 2.016 0 40 FEAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)s1 9450620 VASIPLJJOYOSKD-UHFFFAOYSA-N 366.196 2.430 0 40 FEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1COc2ccccc2O1 83851055 AOFBKWHFZLVZQX-IBGZPJMESA-N 356.422 2.122 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3cccs3)C(=O)O2)c1 96814859 YHJZASMWBBTYTR-GXDHUFHOSA-N 362.432 2.343 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)N(CCc1ccccc1)CC(=O)O 95415785 YGYGJJHKWRNFMG-UHFFFAOYSA-N 354.472 2.125 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)CCOC(C)C)cc1 89887877 JZORLFBONGUKJF-ZWKOTPCHSA-N 371.499 2.122 0 40 FEAB COc1ccc(-n2c(O)nc3nc(N4CCCCCC4)ncc3c2=O)cc1 67264219 KIVCGZGMTMKOFK-UHFFFAOYSA-N 367.409 2.270 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408607912 QZFLULFOHAPIRO-AWEZNQCLSA-N 356.488 2.401 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccc(O)cc1 524729403 SBFMANJHZAYGDZ-CDXJDZJCSA-N 366.417 2.161 0 40 FEAB biogenic O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc2[nH]ccc12 72404279 VRIBWJMFMFLTCP-UHFFFAOYSA-N 369.402 2.341 0 40 FEAB O=C(NCc1nccs1)N1CCCN(C(=O)c2ccsc2)CC1 79632876 QOLVPJOYLITJLL-UHFFFAOYSA-N 350.469 2.262 0 40 FEAB CC[C@@]1(c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)CCC(=O)NC1=O 71281509 WVPFXTRAQOLAMI-SXGZJXTBSA-N 372.421 2.066 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 48374886 HBEZFYYHDXSJGC-MRXNPFEDSA-N 356.422 2.474 0 40 FEAB Cc1oc(C(=O)N[C@@H]2CCCC[C@H]2F)cc1S(=O)(=O)N1CCCC1 519342323 GDWICFXZYBHKDM-CHWSQXEVSA-N 358.435 2.383 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 96065099 KJOGAECSTWSXSZ-HKUYNNGSSA-N 357.410 2.468 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 331983982 YLYOUQCWCWZLQL-INIZCTEOSA-N 362.455 2.027 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)CN1CC1CC1 96207485 MEHZCAOFHBLJFG-GOSISDBHSA-N 350.503 2.153 0 40 FEAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)n1 96108469 BJWQXPQMPDIXIC-APWZRJJASA-N 357.479 2.330 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCc2cncn2C)cc1 583623752 RTTHPVAZZSUOQW-UYAOXDASSA-N 357.454 2.260 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)on1 257330761 XPUDHTNYKADVBZ-OAHLLOKOSA-N 358.442 2.483 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CC1 257227925 FROUDSXRMCIVEP-OAHLLOKOSA-N 356.470 2.031 0 40 FEAB CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(Oc2ccccc2F)c1 652520895 ZOTXXOUZASEVKP-MAUKXSAKSA-N 372.396 2.216 0 40 FEAB CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(OCC(=O)O)c2)no1 663076083 UDNFTQQTGWZANT-AWEZNQCLSA-N 359.382 2.463 0 40 FEAB COc1ccccc1-c1ccc(N2CCN(C3CCOCC3)CC2)nn1 1120823318 YHTLTHJXRHVIQA-UHFFFAOYSA-N 354.454 2.453 0 40 FEAB COCCn1/c(=N/C(=O)c2ccco2)sc2cc(C(=O)OC)ccc21 96024148 WKDMJAXUVDRPNZ-ZCXUNETKSA-N 360.391 2.470 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H](N(C)C)C1 585139999 CGJMRDZAJMSKLG-RCCFBDPRSA-N 363.502 2.215 0 40 FEAB O=C(NCc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCC[C@H](O)C1 684886282 IBNQWKIJNGOHMO-HOTGVXAUSA-N 367.877 2.279 0 40 FEAB COc1ccccc1CCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 53339951 AIPYIGARFGNGKR-UHFFFAOYSA-N 367.449 2.444 0 40 FEAB Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 5094276 ZWYUTKDJAUGKSZ-UHFFFAOYSA-N 355.413 2.213 0 40 FEAB C[C@@H](O)CNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156920 OAUCJDDAEYYUMY-CZUORRHYSA-N 364.417 2.003 0 40 FEAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)NC4CC4)nc3c12 12182076 GAKVVIQQOPAPIH-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 12602254 RGGZJJQAMCJCBP-OKZBNKHCSA-N 365.543 2.017 0 40 FEAB biogenic,in-vitro CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 14142306 GPAOVLCPDGNSFT-LJQANCHMSA-N 369.377 2.278 0 40 FEAB Cc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1F 16346979 GXSNBSLQTAQDAZ-UHFFFAOYSA-N 353.400 2.313 0 40 FEAB Cc1nc2cc(NC(=O)CN3CCC[C@@H]3Cn3cccn3)ccc2n1C 19658001 HPYNOSCAGBZUHD-MRXNPFEDSA-N 352.442 2.181 0 40 FEAB CNc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)ccn1 19662575 UVRRTJVQTXMEKE-GOSISDBHSA-N 354.454 2.235 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169294349 ZGZCDLPPASRPHK-AXHMDWHKSA-N 368.389 2.052 0 40 FEAB COCc1cn([C@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1 585149626 DSNDPAFAFAROEL-HNNXBMFYSA-N 368.359 2.459 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2642241 HEBFXFJHHKRKLX-AWEZNQCLSA-N 369.421 2.472 0 40 FEAB COCCOc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 27945032 OKOANRKACCUPEK-AWEZNQCLSA-N 350.440 2.279 0 40 FEAB O=C(CNc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1cccs1 39978284 ZTKZROLDDHNTNX-OAHLLOKOSA-N 354.439 2.499 0 40 FEAB COc1ccc(C)cc1CN(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 25231483 CETPYVIIBOMENH-MRXNPFEDSA-N 368.433 2.093 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OCC2CCOCC2)nc1 244950830 FNMGSNDCERQPPB-UHFFFAOYSA-N 368.393 2.309 0 40 FEAB Cn1c(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)cccc1=O 1565556623 NZDXEUMXSVVYNF-UHFFFAOYSA-N 352.419 2.102 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 1565541799 FCKQDOQPYWOIJG-RXVVDRJESA-N 368.408 2.293 0 40 FEAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]c2)CC12CCOCC2 1565553182 MZZGNGIAVTZAKE-MRXNPFEDSA-N 373.478 2.261 0 40 FEAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 3007533 MSEPODUSIAAFMY-UHFFFAOYSA-N 355.438 2.315 0 40 FEAB COC(=O)CSCC(=O)Nc1nnc(-c2ccccc2OC)s1 4274266 ALRSOKXFGODPTG-UHFFFAOYSA-N 353.425 2.058 0 40 FEAB O=C(COc1ccccc1)NCCn1nc(-c2cccs2)ccc1=O 8954825 RYGQINXTTXSDTJ-UHFFFAOYSA-N 355.419 2.167 0 40 FEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)C(C)(C)C)c1=O 12072069 KQKUUXXEEGUXJP-UHFFFAOYSA-N 367.453 2.112 0 40 FEAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1 85559430 DDSNCMTVTPNKAJ-LLVKDONJSA-N 359.856 2.348 0 40 FEAB CNC(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)c1 40106629 UQEIGQHYRKEWLX-UHFFFAOYSA-N 360.435 2.152 0 40 FEAB CCOC(=O)Cc1cnc(NC(=O)CSc2nc(C)cc(C)n2)s1 2486837 FPPOUBMITRJLFO-UHFFFAOYSA-N 366.468 2.386 0 40 FEAB Cc1c(O)ccc2c(COC(=O)CCN3CCSC3=O)cc(=O)oc12 32824282 NTGQDENCEGZOHG-UHFFFAOYSA-N 363.391 2.409 0 40 FEAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccco1 33171816 QZXXUQDGIDPATM-UHFFFAOYSA-N 356.407 2.178 0 40 FEAB CCOC(=O)N[C@@H](C(=O)NCc1ccc(N2CCCCC2)nc1)C(C)C 53509842 GINSECLHPBWRRB-QGZVFWFLSA-N 362.474 2.459 0 40 FEAB COc1ccccc1CCNC(=O)CCNc1nc(Cl)nc2[nH]cnc12 9575625 VDXSEOWYEYOAFX-UHFFFAOYSA-N 374.832 2.176 0 40 FEAB O=C(NCc1ccccn1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819466 HSYDFNRXULPLQE-GOSISDBHSA-N 365.364 2.123 0 40 FEAB COc1cc(CN(C)Cc2oc(CO)cc(=O)c2O)ccc1OC(F)F 23642414 KAEYHNJDSLQDBS-UHFFFAOYSA-N 371.336 2.080 0 40 FEAB COc1ccc(OCCN2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1 23641221 MYFQSNXRRGYIJK-UHFFFAOYSA-N 373.453 2.066 0 40 FEAB O=C(COc1ccccc1F)N[C@@H](CN1CCOCC1)c1ccccc1 24335933 FIPJPPRCFDNINR-SFHVURJKSA-N 358.413 2.394 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)/C=C(\C)C3CC3)CC2)cc1OC 55118030 ZDTHHTFIFAIXTH-WYMLVPIESA-N 358.438 2.345 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c(OC)c1 106121550 BTEBUOVRULFBEL-RLFYNMQTSA-N 372.465 2.424 0 40 FEAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 12522435 WHWTVNNMUPPISQ-UHFFFAOYSA-N 366.465 2.143 0 40 FEAB CCc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 12537269 JDRBPYYYAHCOJW-UHFFFAOYSA-N 361.467 2.372 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccsc1 25332401 ACUCSYPMMGWSOI-GOEBONIOSA-N 359.499 2.174 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)NCc1cccc(Cn2cncn2)c1 56087975 FSMCTPJAHIELHI-UHFFFAOYSA-N 360.414 2.252 0 40 FEAB CC(C)[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccc(F)cc1 56326642 CTNWUQUNJGPFAC-OAHLLOKOSA-N 356.405 2.442 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 26038494 HCGBXZWXDZVSRI-KRWDZBQOSA-N 351.472 2.154 0 40 FEAB Cc1cc(C(=O)NCCNC(=O)c2ccco2)c(C)n1Cc1ccco1 26139304 QEVYNNRRYYLSTH-UHFFFAOYSA-N 355.394 2.499 0 40 FEAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108531080 LSFQFOHLKCPYJP-WBVHZDCISA-N 352.429 2.326 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](C)N1CCN(c2ccccc2O)CC1 57614889 NEPBAPQDQJOVDO-MRXNPFEDSA-N 369.465 2.228 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc2ncccc2c1 78903137 ASRMNJFKKHWTQD-HNNXBMFYSA-N 372.425 2.332 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(C(N)=O)nc1 79060511 JWQBROSCHLIKSR-UHFFFAOYSA-N 353.401 2.412 0 40 FEAB CCOC(=O)C1=C(CSc2nc3ccccc3n2C)NC(=O)N[C@H]1C 58034688 NMRQBKLNFDMLET-JTQLQIEISA-N 360.439 2.184 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@H](N4CCNC4=O)C3)ccc12 58080986 JSGHTYCACLXAAG-AWEZNQCLSA-N 370.409 2.123 0 40 FEAB COC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 10023619 FGRJVYMUPPXIQJ-INIZCTEOSA-N 352.390 2.460 0 40 FEAB CCNc1nnc(SC[C@@H](O)CN2CCc3ccccc3C2)s1 58225173 YCWOTZGOAGOODG-AWEZNQCLSA-N 350.513 2.481 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2114467 TYHGQFPLLSDENP-UHFFFAOYSA-N 373.405 2.448 0 40 FEAB biogenic COc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1 2209945 LIJOMXMEGQSZBY-UHFFFAOYSA-N 370.434 2.432 0 40 FEAB COc1c(C)cnc(CN(C)C(=O)c2cccnc2N2CCOCC2)c1C 58956729 OLUPGKKVLWVBOX-UHFFFAOYSA-N 370.453 2.211 0 40 FEAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC[C@H](C)c2ccccc2)on1 48310232 JTVJCOHOXYZORJ-GXTWGEPZSA-N 350.440 2.206 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(C2CC2)[nH]n1 48356044 KMKAVODYECLGFV-UHFFFAOYSA-N 374.466 2.002 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccs1 8708276 DZSIYWIBMSAXOM-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB NC(=O)c1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCC2 6114874 GDBDJTGTWCHTQH-UHFFFAOYSA-N 373.463 2.109 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 49940741 RDZRXHBFADLYRE-GFCCVEGCSA-N 363.405 2.454 0 40 FEAB CC(C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 14085881 JTROQEIFOBAUHQ-UHFFFAOYSA-N 368.480 2.477 0 40 FEAB CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)C(C)C 14183110 AVNMWKGAAURBDH-GOSISDBHSA-N 367.396 2.377 0 40 FEAB COc1ccccc1NC1=N[C@H](c2coc3ccccc3c2=O)NC(=N)N1 19329978 QGGRAEYMZKOOQG-QGZVFWFLSA-N 363.377 2.396 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1O 6623462 WYFGAPMZRGQTAV-UHFFFAOYSA-N 359.306 2.493 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1 4710816 RKBYMECQYQIPAA-UHFFFAOYSA-N 354.406 2.491 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c1 9110434 QGJNOVGAKUGNFR-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB O=C(NCCn1c(C2CC2)n[nH]c1=S)[C@H]1COc2ccc(F)cc2C1 90654700 JMIVJZWWNMBBNB-GFCCVEGCSA-N 362.430 2.325 0 40 FEAB Cc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 7973640 UXDZRYYTPGUIBK-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(C)cc2O)s1 16808224 ZMIYJOWEWFDTBW-UHFFFAOYSA-N 361.419 2.480 0 40 FEAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCC(=O)N1CCCC1 8233032 NOCIMPJDPZMDAE-UHFFFAOYSA-N 368.359 2.184 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccn3)CC2)cc1 8274174 JJQUZSDPWNDLOX-HNNXBMFYSA-N 367.453 2.189 0 40 FEAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1 67896637 YWTAKOKSOHJVDY-VQIMIIECSA-N 372.421 2.449 0 40 FEAB biogenic,in-vitro Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](CO)c1ccccc1 88405334 GXGOVLHXMXMQBS-AWEZNQCLSA-N 354.435 2.414 0 40 FEAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCOC[C@H]1c1ncon1 95981427 JCQGUOLMHWNAAI-ISUDXETCSA-N 363.757 2.065 0 40 FEAB O[C@H](CN1CCN(C[C@H](O)c2ccccc2F)CC1)c1ccccc1F 26897788 OHSOZSCGACZDJM-BGYRXZFFSA-N 362.420 2.349 0 40 FEAB CN1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 23242141 HVNUJKWSGDECNN-AWEZNQCLSA-N 353.875 2.353 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 408588985 CMLKMQYZPFDGAK-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC[C@@H]1CN1CCCC1 38394494 JWJIFXKTIDOFGJ-CQSZACIVSA-N 356.297 2.432 0 40 FEAB COc1ccccc1NC(=O)C1CCN(c2cc(C)nc3ncnn23)CC1 35311998 ROAYZBSPSAVOBO-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB Cn1c(SCCCN2C(=O)CNC2=O)nnc1-c1ccc(Cl)cc1 71964861 WZVSQFFSARZERE-UHFFFAOYSA-N 365.846 2.170 0 40 FEAB COc1ccccc1-c1c2c(=O)n(-c3ccn[nH]3)ccc2nc2nc(C)nn12 40398469 LEWITKTUMOTQGY-UHFFFAOYSA-N 373.376 2.136 0 40 FEAB CCn1cc(S(=O)(=O)N(CCC(=O)O)c2ccccc2C)nc1C 324331772 KHPYURZCBGEIDU-UHFFFAOYSA-N 351.428 2.190 0 40 FEAB CSc1ccccc1C(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482987 NNXCJJUIHKIMPC-UHFFFAOYSA-N 353.407 2.488 0 40 FEAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224195528 SEFXQLSNKLUAGK-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)nc1 223354039 VPBYIMZTIHPSSC-AWEZNQCLSA-N 353.378 2.248 0 40 FEAB Cn1cncc1CC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 576851675 VTEHETMLYNMBQB-UHFFFAOYSA-N 374.242 2.227 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CCO3)cc1 96159035 LFAZWEDDFSIWEW-UHFFFAOYSA-N 352.438 2.297 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](NC1CCOCC1)c1ccccc12 96241515 KUIFAQIWFJMZCY-GOSISDBHSA-N 364.511 2.193 0 40 FEAB CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1 96068246 LLMUVMQMOWTGLH-QGZVFWFLSA-N 357.458 2.240 0 40 FEAB Cc1ccc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c(-n2cnnn2)c1C 96343604 UEDDFTISKWITJA-SJLPKXTDSA-N 368.485 2.273 0 40 FEAB biogenic CCc1nnsc1C(=O)N1CCC(c2ccn3nc(C)cc3n2)CC1 257316066 VDYZOQFNZIIKFD-UHFFFAOYSA-N 356.455 2.471 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257273075 NFDPBAKLZNAFHP-CQSZACIVSA-N 360.435 2.271 0 40 FEAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257230448 GCJUXLDXRNZYBP-OALUTQOASA-N 354.454 2.322 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@H](CCc2ccncn2)C1 257200813 AEZRYWZRQOTVPK-HXUWFJFHSA-N 351.450 2.368 0 40 FEAB O=C(O)c1ccc(O[C@@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@H]2O)cc1 257236294 HBNHZNSDHYMUIW-RTBURBONSA-N 352.390 2.490 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 663318949 GKSFFHCRMJCIKJ-LZLYRXPVSA-N 368.437 2.051 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 96025391 HPNHXUKXCPKTFS-MRXNPFEDSA-N 369.439 2.063 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cnccn2)o1 585097597 NGRMSVBWUCLMSS-OAHLLOKOSA-N 353.382 2.068 0 40 FEAB CCc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)c1C 12117044 BKPPKWJQBZEWDG-UHFFFAOYSA-N 350.400 2.009 0 40 FEAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2N)no1 12985694 UZWKXMQKEQTXDA-JTQLQIEISA-N 350.448 2.455 0 40 FEAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1cccnc1C)CC3 13226791 RBHZRFRSGYBTMF-UHFFFAOYSA-N 354.435 2.168 0 40 FEAB CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2ccccc2)CN=3)cc1 13809733 UZWPQNIFXRYPNE-PDGQHHTCSA-N 365.458 2.192 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4)cnc21 14523247 WXBJYJOWOONLGO-UHFFFAOYSA-N 371.400 2.340 0 40 FEAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19500629 UCLJJCHTVUKJLV-RTBURBONSA-N 370.501 2.121 0 40 FEAB CCCn1cnc(NC(=O)[C@H](C)c2nn(CC)c(=O)c3ccccc23)n1 19660576 ICDRMCGCEAFAAA-GFCCVEGCSA-N 354.414 2.160 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCCCCC1 4853599 CORGSHUNDJNXDZ-UHFFFAOYSA-N 371.459 2.432 0 40 FEAB Cc1noc([C@H]2CN(Cc3cn(C)nc3-c3cccnc3)C[C@@H](C)O2)n1 628444500 JAQMFMXHLPTCIA-MLGOLLRUSA-N 354.414 2.136 0 40 FEAB CCc1ncncc1C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 683783928 XPCSWJITKZGBSL-UHFFFAOYSA-N 354.410 2.072 0 40 FEAB O=C(c1cccnc1O)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888866905 WOFCFCXWVWSUFJ-SGTLLEGYSA-N 358.373 2.038 0 40 FEAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(F)c3)CC2)n1 1889119425 AVWOMQOWRMQFNU-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB O=C(COc1ccccc1F)N1CC(Cn2cc(Br)cn2)C1 1889179552 XOVCWENGQMUWDX-UHFFFAOYSA-N 368.206 2.322 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)no1 28668126 KPWTXYYRQZHJHE-GFCCVEGCSA-N 369.468 2.392 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)N3CC(Oc4cccnc4)C3)CC2=O)cc1 238830063 FRRISNSDGADACU-HNNXBMFYSA-N 351.406 2.033 0 40 FEAB CC(C)C(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12009526 VZKBCABYOLYLSW-UHFFFAOYSA-N 353.382 2.299 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 2055835546 CERUMOBOCWPXOS-NRFANRHFSA-N 364.449 2.440 0 40 FEAB O=C(Nc1nccs1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 9303257 VZPFGJLFJNPDHJ-FLTUCWPJSA-N 353.403 2.068 0 40 FEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)n(C(C)C)n1 2332241466 TZVTYTIYXIELMF-GVDBMIGSSA-N 372.469 2.432 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCCC2 36725554 YZUOUQCERVXDAG-UHFFFAOYSA-N 365.480 2.329 0 40 FEAB CN(CCCNC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 30013837 XYMMRRXEYJRZSE-UHFFFAOYSA-N 361.467 2.314 0 40 FEAB COc1ccccc1NC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 40073350 ITXJXPATOHTEOP-UHFFFAOYSA-N 352.350 2.299 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)NCCc1c[nH]c2ccccc12 40033517 ZWZXHSVRAMZXMY-UHFFFAOYSA-N 369.494 2.105 0 40 FEAB CCCS(=O)(=O)NC1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 40091291 QGAVVUKUBJTGSE-LBPRGKRZSA-N 358.508 2.222 0 40 FEAB CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(OC(C)C)c(F)c1 40158354 NMIVBSMKRCEFNR-UHFFFAOYSA-N 360.451 2.102 0 40 FEAB CCOc1ccc(OCC(=O)NCc2nc(-c3cccnc3)no2)cc1 31658976 XCFXRPJXOUZVOC-UHFFFAOYSA-N 354.366 2.226 0 40 FEAB COC(=O)COc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 32093773 VRRNDDWVXKJBKO-UHFFFAOYSA-N 362.411 2.051 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2c(C)noc2N)ccc1N1CCCC1 8355220 CHZMIPNVEADUTQ-UHFFFAOYSA-N 358.398 2.269 0 40 FEAB CCC[C@@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1C)C(=O)OC 69461064 KLGSOAVBOCZXKJ-MRXNPFEDSA-N 359.444 2.022 0 40 FEAB O=C(COC(=O)c1ccccc1O)NC(=O)c1ccc(OC(F)F)cc1 2618134 OSJIIYSQTLHLDI-UHFFFAOYSA-N 365.288 2.107 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)cc1 1985835 WQMCOZSEMXXPOM-HNNXBMFYSA-N 370.380 2.356 0 40 FEAB NC(=O)[C@@H]1CCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 32751347 PRBSDRVSUFXFDM-OALUTQOASA-N 351.450 2.036 0 40 FEAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(F)cc1 6545949 CYUBXXQFWKVBNK-LBPRGKRZSA-N 369.352 2.106 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Cl)c1 6638738 FJQQPARAXCIIDD-UHFFFAOYSA-N 358.778 2.144 0 40 FEAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1CCOc2ccccc21 60800579 KRLOOHCQJFYQRP-UHFFFAOYSA-N 351.355 2.420 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2ccccc2F)NC(=O)N3)cc1 12346688 XHPIILOJIGNTSW-GOSISDBHSA-N 367.380 2.485 0 40 FEAB C[C@H]1CCCN(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)C1 55028425 OOZVHKFVONVCOF-INIZCTEOSA-N 364.534 2.341 0 40 FEAB COc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cn1 12542525 KPZRUDIBKQEWFX-UHFFFAOYSA-N 352.394 2.446 0 40 FEAB CCc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 1462416 WZSVUNKONTZJGP-UHFFFAOYSA-N 358.419 2.422 0 40 FEAB COc1ccc(C(=O)Nc2nc3[nH]c(-c4ccccc4)cc(=O)n3n2)cc1 101006508 VLWCTWGKJXOCRL-UHFFFAOYSA-N 361.361 2.346 0 40 FEAB CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 22352208 RJXDGGQDKCMGCY-UHFFFAOYSA-N 364.442 2.461 0 40 FEAB C[C@@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 58363523 ZEWGPCQVIHRREX-MRXNPFEDSA-N 353.470 2.394 0 40 FEAB NC(=O)Nc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10581528 AHQNKJRDTODIHG-UHFFFAOYSA-N 352.394 2.456 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2Cl)cc1 3399588 WXEWTRFZRZLQSH-UHFFFAOYSA-N 366.870 2.279 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CNC(N)=O)cc1 48274077 PIIKLJCCBAKOBJ-UHFFFAOYSA-N 355.394 2.246 0 40 FEAB CCc1nn2c(=O)cc(CSc3nnc(C4CC4)n3CC)nc2s1 12750898 OHGDYEFTEBKERG-UHFFFAOYSA-N 362.484 2.495 0 40 FEAB Cc1ccc([C@H](NC(=O)CN(CC(N)=O)C(C)C)c2cccs2)cc1 12858054 JARJPRUDTLHIGK-IBGZPJMESA-N 359.495 2.458 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)F)cc1 3607034 KCGBKDQRBCYMQW-UHFFFAOYSA-N 353.325 2.091 0 40 FEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 3612075 XRKGNWQDXYGBGH-HNNXBMFYSA-N 374.462 2.199 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)c1 13549841 SEIWKUUUQKCGOO-SECBINFHSA-N 359.411 2.489 0 40 FEAB C[C@H](NC(=O)CCOc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 17852364 XPQBUQZPWLYREN-LBPRGKRZSA-N 366.414 2.119 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(O)nc2ccccc12 18100252 GRYDZEAUCZCICS-UHFFFAOYSA-N 360.373 2.449 0 40 FEAB CNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1 8733870 UDDUREAGPSWKCZ-UHFFFAOYSA-N 350.378 2.493 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 14121850 VCTFWGPKKDTIII-KZULUSFZSA-N 361.467 2.134 0 40 FEAB Cc1nc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nn1-c1ccc(F)cc1 14267862 CRPWVSRBYHEDAF-UHFFFAOYSA-N 352.329 2.137 0 40 FEAB COCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 6638634 FRZQNYIUGHUTDW-UHFFFAOYSA-N 356.422 2.423 0 40 FEAB COC(=O)CN/C=C1/C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21 6626093 DQBURUYDLMFFCV-NTEUORMPSA-N 371.780 2.026 0 40 FEAB Cc1ccc(Cn2ccn(CC(=O)Nc3cccc(C)c3)c(=O)c2=O)cc1 6840173 KXNJGNPKYZGJLI-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 7391177 PSIVVBXITZPBNT-LBPRGKRZSA-N 365.389 2.311 0 40 FEAB Cc1c(NC(=O)[C@H](C)S[C@H](C)C(=O)O)c(=O)n(-c2ccccc2)n1C 7785572 CKZWCTGBJCHEDJ-NWDGAFQWSA-N 363.439 2.018 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1nc2ccccc2s1 9009792 TZCGGNXQWVKVSW-UHFFFAOYSA-N 351.391 2.430 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccncc2)cs1 71284045 YPVZEPSWGNPHIV-UHFFFAOYSA-N 371.422 2.008 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 9422849 CSJXGIKQCMJGMO-UHFFFAOYSA-N 369.444 2.181 0 40 FEAB Cc1cnn(CCC(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 71894324 BSGDDDNAPUCLOV-GJZGRUSLSA-N 350.463 2.438 0 40 FEAB COc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)cn1 89487948 DJGKVNIAZLEROH-UHFFFAOYSA-N 351.366 2.162 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 69042090 ZGBHLTFSYAAOKX-KGLIPLIRSA-N 373.469 2.357 0 40 FEAB CC(C)CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832429 OCDBRKSKDGCEEZ-AWEZNQCLSA-N 360.863 2.029 0 40 FEAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 408917905 COUNILBNZAVBMB-APYUEPQZSA-N 354.189 2.189 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-n2cnnn2)c1 79480298 YXBDTNIFECTMNP-UHFFFAOYSA-N 351.395 2.470 0 40 FEAB Cc1ccc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 219668876 JDQHDIYQJVRRBH-AWEZNQCLSA-N 372.446 2.407 0 40 FEAB COc1ccc(CN2C[C@H]3CN(Cc4ccccn4)CCN3C2=O)cc1 77266728 HQSDTQRXFHSBSA-GOSISDBHSA-N 352.438 2.212 0 40 FEAB biogenic,in-vitro CN(C)CCCn1c(=O)n(C)c(=O)c2c3c(sc21)CCc1ccccc1-3 71279721 YQQFKHJHORPARI-UHFFFAOYSA-N 369.490 2.479 0 40 FEAB Cc1cc(CN2CCN(C(=O)Nc3cccnc3N3CCCC3)CC2)no1 48172347 HRIZOHWAOYYGRM-UHFFFAOYSA-N 370.457 2.328 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3nscc32)cc1 49403815 GOTYKOHDTSCQMG-UHFFFAOYSA-N 372.450 2.223 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 225467845 RVWNVNICSWRJKY-LESCRADOSA-N 362.495 2.392 0 40 FEAB COc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(C)=O)cc1 226401328 FVFJOIYTKDVNGT-WVXCVLBUSA-N 366.417 2.059 0 40 FEAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223058068 ZFMJFFXNEPQSHQ-FQEVSTJZSA-N 368.477 2.391 0 40 FEAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1cc(C)ccc1C 225932886 HMJXZLCCURZPDH-UHFFFAOYSA-N 350.440 2.223 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccc(C)cc2C)s1 223666530 LJZRAEXBQMRFJT-UHFFFAOYSA-N 367.452 2.438 0 40 FEAB CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 514289360 RCSXAYJCSWSMEU-STQMWFEESA-N 359.430 2.031 0 40 FEAB biogenic,in-vitro CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCCC1 224755300 ZVCOZNNVROIZFW-MRXNPFEDSA-N 354.472 2.252 0 40 FEAB COc1ccc(CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224737785 APDSIMVUSZZVKX-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB CN(C)c1nc(N2CCCC2)nc2c1CN(C(=O)Cc1ccsc1)CC2 96253979 CMFOGYGBBAOCPB-UHFFFAOYSA-N 371.510 2.332 0 40 FEAB COCCN1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 96260482 AVOSCVIMLQVDFE-UHFFFAOYSA-N 360.502 2.185 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)NCCc1ccccc1 96206688 PBRYQNPGKKYSBK-NQIIRXRSSA-N 354.450 2.477 0 40 FEAB CCN1C(=O)CO[C@H](C(=O)Nc2cc(OC)ccc2O)[C@H]1c1ccccc1 580864152 FJONPAUCDHEZRY-MOPGFXCFSA-N 370.405 2.328 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248139028 PRDGNQMJFHRNEA-ULQDDVLXSA-N 360.502 2.026 0 40 FEAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(C(=O)c3cccn3C)CC2)C1 248124965 LKPVGZVGJIHDIA-GOSISDBHSA-N 373.497 2.152 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2ccnn21 247968552 TVDVPLYJWBZKAI-CYBMUJFWSA-N 354.435 2.431 0 40 FEAB O=S(=O)(C1CCCCC1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257249810 JJVVGWIPWIIJME-VNQPRFMTSA-N 350.488 2.261 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)n1 257324865 WQNHEDOPUCZKQR-KRWDZBQOSA-N 355.490 2.040 0 40 FEAB CNC(=O)c1sc2nc([C@@H]3CCCN3c3ncccn3)ccc2c1N 257212025 CBPFFVDLHAGVND-LBPRGKRZSA-N 354.439 2.370 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260808053 FBEMCAWLUBJHAB-XJIUQZFPSA-N 366.483 2.155 0 40 FEAB CC(=O)Nc1cccc(C(=O)N2CCN(CCc3ccncc3)CC2)c1 636297764 QZZSVNJIPJDYGW-UHFFFAOYSA-N 352.438 2.041 0 40 FEAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2C)OCCO)cc1 96337981 BTJWLTCUMRTYIF-KRWDZBQOSA-N 367.442 2.471 0 40 FEAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1cccc(F)c1 585262288 BWFJOSMMHXBPPC-BDXSIMOUSA-N 363.360 2.026 0 40 FEAB C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685943643 ZTVKPALXCVFKMY-JCURWCKSSA-N 352.438 2.264 0 40 FEAB Cc1oc(-c2ccccc2)cc1C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C 5017704 KRLLICBGCLRCJH-KRWDZBQOSA-N 358.394 2.210 0 40 FEAB C[C@@H](C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)N1CCCC1=O 12086976 MLYRQQWXHALFOW-HOCLYGCPSA-N 358.438 2.187 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCC[C@H]3C)n2)c(C)o1 12146811 QBCKIUAOSRBESB-BDJLRTHQSA-N 358.442 2.397 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)N2C=C1 12203308 METCUPCESNKADG-HRAATJIYSA-N 372.513 2.476 0 40 FEAB O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19375459 HMSAMJJEWBXTRA-MOPGFXCFSA-N 364.449 2.100 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@H](C(=O)N2CCCCC2)C1 19747241 IERWQMZIWJMIKI-KRWDZBQOSA-N 355.438 2.330 0 40 FEAB Cc1nccn1CCCC(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 643585042 GVECHXHPEVRTLH-YVWKXTFCSA-N 357.454 2.306 0 40 FEAB O=C(O)[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)c1ccc(Cl)c(F)c1 649246535 LYXRHCFAGHQJLC-BMIGLBTASA-N 363.776 2.316 0 40 FEAB Cc1cc(C)nc(N2CCC(CNC(=O)Cc3ccc(O)cc3)CC2)n1 12145499 SLGOIXYUROLGIZ-UHFFFAOYSA-N 354.454 2.374 0 40 FEAB CSC(=S)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1 22057811 ABYFQWZWTAVGKO-MVCUBJFGSA-N 350.458 2.047 0 40 FEAB CC(C)CN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 4504902 RJMOZRCVLYNSJK-JTQLQIEISA-N 364.261 2.327 0 40 FEAB COc1ccccc1-c1cc(C(=O)N2CC(Cn3cc(C)cn3)C2)n[nH]1 1848613403 TVBNLYVSAWBWHX-UHFFFAOYSA-N 351.410 2.362 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccccc1 28914832 LFSFGYMMLMBFNR-HNNXBMFYSA-N 352.438 2.188 0 40 FEAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cn2cncn2)cc1 36649915 CIWUXTWYVTWMGM-UHFFFAOYSA-N 361.405 2.471 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@]12CCCN(Cc1ncccc1F)C2 2037873456 LSMUXPUFMAHNNN-DYXWJJEUSA-N 369.440 2.425 0 40 FEAB C[C@@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1cc(F)cc(F)c1 2086992597 MWBCYSJXTQIJKQ-GFCCVEGCSA-N 358.396 2.352 0 40 FEAB Cc1cc(N2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)n2ncnc2n1 2086992619 IZFXQBXCCRETRQ-CYBMUJFWSA-N 358.396 2.422 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2cnc3cc(Cl)ccc3n2)CC1 624190077 QVAROYCGSNHVGG-UHFFFAOYSA-N 366.874 2.288 0 40 FEAB CC1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 30969564 YMFKDMLMGVLKKM-UZABCXPZSA-N 361.417 2.288 0 40 FEAB COc1c(C)cnc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C 50449481 ZHEXRCDXWOSPGX-UHFFFAOYSA-N 362.451 2.349 0 40 FEAB COCCCNC(=O)c1ccc2c(=O)n(-c3cccc(OC)c3)cnc2c1 32101822 AVFXJPCOIMKMIM-UHFFFAOYSA-N 367.405 2.161 0 40 FEAB Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)nc2nc(O)[nH]c(=O)c12 81408951 HGFVVMMAUFAGQB-OCCSQVGLSA-N 364.405 2.350 0 40 FEAB Cn1cccc1[C@H]1CCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 8185700 RJXPYNQLOOWMDU-OAHLLOKOSA-N 370.409 2.239 0 40 FEAB CC1=NN(C)C(=O)[C@@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 101901946 QVOLFGPLYAKERP-INIZCTEOSA-N 356.357 2.093 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCCC(=O)O)cc1 2949925 CUJKZMRHLZFVJM-QINSGFPZSA-N 372.377 2.040 0 40 FEAB C[C@]1(C(=O)OCC(=O)NC(=O)NC2CCCCC2)CC1(Cl)Cl 3517318 RWMMYMROJUBHEK-CYBMUJFWSA-N 351.230 2.272 0 40 FEAB CCOc1c(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cccc1OC 6958201 ZWXRGXFOUWAZFT-XYOKQWHBSA-N 351.380 2.303 0 40 FEAB COc1cc(CNCCCN2CCOCC2)cc(Br)c1OC 8469810 CNXNHNVWRXZWTF-UHFFFAOYSA-N 373.291 2.278 0 40 FEAB COC(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 8733215 MWJRFRUERFQLDI-UHFFFAOYSA-N 371.231 2.092 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 782969 OZFDJYNLTZUREV-UHFFFAOYSA-N 354.406 2.302 0 40 FEAB biogenic,in-vitro COCCN1C[C@H](C(=O)NCCc2ccc3ccccc3c2)CCC1=O 12455560 CGPYOTHZMNANJP-LJQANCHMSA-N 354.450 2.384 0 40 FEAB COC(=O)Cn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 54040638 GPGPXFXSCRNQJZ-UHFFFAOYSA-N 364.210 2.164 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1cccc(C(=O)NC2CC2)c1 24835259 FXAPRFWMKYWONG-GFCCVEGCSA-N 355.442 2.368 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 100181476 NDWGAJHSHGEKTJ-YNEHRVOUSA-N 356.422 2.229 0 40 FEAB CC(C)(C)OC(=O)NCCC(=O)NCC1(N2CCOCC2)CCCCC1 25448447 DDJSSNGQPNAHPF-UHFFFAOYSA-N 369.506 2.053 0 40 FEAB CCOC(=O)N[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(C)C 47932324 GDESICYVZHYBLM-DLBZAZTESA-N 365.474 2.185 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@@H]2c1ccc(F)cc1 100911448 QUSWSRUHJWTJCL-KSZLIROESA-N 351.381 2.361 0 40 FEAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 57140125 LKZRIWCBCKHVCI-SNVBAGLBSA-N 369.826 2.094 0 40 FEAB Cc1cc(F)ccc1NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 57116252 MYMWIUCLXXQPIZ-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB CCn1cc(CNC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cn1 28234494 YBOGBFAKVOFQOV-UHFFFAOYSA-N 361.837 2.002 0 40 FEAB CCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CN1CCSC1=O 58183487 QASKTJJNZQIFPK-UHFFFAOYSA-N 370.858 2.401 0 40 FEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 58210925 BVLPJTDEEGVKOB-HNNXBMFYSA-N 361.442 2.443 0 40 FEAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 58215583 NAHFPTBFESVFJY-UHFFFAOYSA-N 364.389 2.257 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1 8250132 FQIACEWLSVNEQQ-UHFFFAOYSA-N 362.451 2.449 0 40 FEAB NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 3550466 NAJKVMZLCGTNNY-UHFFFAOYSA-N 353.407 2.301 0 40 FEAB O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)NCc1ccco1 12980034 IYCZIAXTGCWBMK-UHFFFAOYSA-N 351.284 2.325 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccc3ncccc3c2)NC(=O)N[C@]1(O)C(F)(F)F 4057002 JLCFJNZTUINILZ-VNHYZAJKSA-N 353.300 2.045 0 40 FEAB COCCCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13690203 YWVVNBHZOFFRFE-HNNXBMFYSA-N 357.454 2.102 0 40 FEAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249407 VODNPLYRCJCBOM-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1 69757181 WKCSYTOOCYYQKI-UHFFFAOYSA-N 369.856 2.429 0 40 FEAB O=C(c1cnn(C(=O)[C@H]2COc3ccccc3O2)c1)c1cc(F)ccc1O 14169886 DHARNUGPKYVBNQ-QGZVFWFLSA-N 368.320 2.439 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 4515453 GNJQTAQYUMHNGE-XIKOKIGWSA-N 363.845 2.457 0 40 FEAB Cc1ccccc1CN(C)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649609 YTNUZKMWGGSCPU-UHFFFAOYSA-N 365.389 2.047 0 40 FEAB COc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c1 8705563 BHWYGVPLCBBGPT-FQEVSTJZSA-N 365.389 2.243 0 40 FEAB biogenic O=C(Cn1ccccc1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7106448 QZPMEVQXVZYVGE-UHFFFAOYSA-N 365.355 2.216 0 40 FEAB C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 16418467 MXFNUQAKZGRAQH-GHMZBOCLSA-N 357.815 2.159 0 40 FEAB CN(Cc1cccnc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96004990 CSAPSANASHTNSA-QGZVFWFLSA-N 365.499 2.024 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)cn1C 9871449 LPWNKFANHNCFTB-UHFFFAOYSA-N 350.758 2.261 0 40 FEAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 71846910 ZMUIUMJFKSVECP-BUBHHJDNSA-N 350.396 2.030 0 40 FEAB CNC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c1 9607048 FFWJSJKPZMJSIX-UHFFFAOYSA-N 359.813 2.458 0 40 FEAB C[C@@H]1CN=C(N2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)S1 72298017 NTEBSVDXMWHNKF-GFCCVEGCSA-N 369.437 2.466 0 40 FEAB O=C(O)c1ccn(-c2ccccc2NC(=O)[C@H]2COc3ccccc3O2)n1 95970054 WZOWDZLVWHWEAK-QGZVFWFLSA-N 365.345 2.349 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N1 9954908 TVDQUMFGTBWNRR-UHFFFAOYSA-N 365.798 2.422 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@@H]2C[C@H]2C1 408499738 MMKYGKUKVCMCJM-BBBLOLIVSA-N 359.245 2.085 0 40 FEAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCC1 30757017 RMNFTRMBWKGEFL-OAHLLOKOSA-N 372.874 2.268 0 40 FEAB COc1c(Br)cc([C@H]2NCCC(=O)N2)cc1Br 408736829 ISSPWQOAHMGTNU-NSHDSACASA-N 364.037 2.328 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(Cn4cccn4)cc3)C2)n[nH]1 518136153 JJFUHJSCEQOMSW-OAHLLOKOSA-N 351.414 2.379 0 40 FEAB CCn1nc(C(=O)N[C@@H](CCO)C2CCCCC2)c(=O)c2ccccc21 533845932 SUDZRELAJDHYIT-INIZCTEOSA-N 357.454 2.478 0 40 FEAB C[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccccc1NS(C)(=O)=O 534907020 XVXZYTMKDRMFQI-LLVKDONJSA-N 362.407 2.247 0 40 FEAB O=C(C[S@](=O)CC(=O)Nc1cccnc1)Nc1ccc(Cl)cc1 35290117 UFLDGSUTJNHIHK-HSZRJFAPSA-N 351.815 2.061 0 40 FEAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 122532219 BVEHJSITKLLCJO-KGLIPLIRSA-N 357.376 2.326 0 40 FEAB CCc1nc(S/C(=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)O)n[nH]1 213409425 ASUHADOCVMEJOZ-OQZOHAQUSA-N 371.422 2.467 0 40 FEAB Cc1nc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)ncc1C(N)=O 72345416 NONQMDXQJANYKM-MRXNPFEDSA-N 356.401 2.319 0 40 FEAB O=C(c1cccc(Br)c1)N1CCCN([C@@H]2CCOC2)CC1 1565521911 GPBRXVVZIIXRHV-OAHLLOKOSA-N 353.260 2.386 0 40 FEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217470376 FPSWXSGILXIFOV-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB CCc1nnc(Nc2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1 72360243 OHWLSUWHEIFGCZ-NSHDSACASA-N 368.488 2.039 0 40 FEAB COc1cccc([C@]2(Cc3ccc(Br)cc3)NC(N)=NC2=O)c1 71975354 NIZBSRVLDLICLX-KRWDZBQOSA-N 374.238 2.340 0 40 FEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NCc1ccccn1 225738428 OYHIHIADFHPQQB-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB COc1cc(CNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 44442434 AMBGCSYULVKVDD-QGZVFWFLSA-N 359.378 2.169 0 40 FEAB NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 527266112 QICICOLIDBHINE-QGZVFWFLSA-N 362.426 2.209 0 40 FEAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCc3ccco3)ccc21 40267963 KDKGPBKEVUXASX-UHFFFAOYSA-N 366.299 2.440 0 40 FEAB C[C@@H](CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 224388747 KPYAMAGFBKXGQM-KSSFIOAISA-N 374.462 2.134 0 40 FEAB O=c1c2nn(Cc3ccc(Cl)cc3)c(=O)n2ccn1-c1ccccc1 225546847 GNBYVDJWSKSGIH-UHFFFAOYSA-N 352.781 2.349 0 40 FEAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 77184563 XNFJKQLONULRPM-MRXNPFEDSA-N 369.826 2.255 0 40 FEAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCCN2CCOCC2)n1 225905366 MWDZPYINAGFOCW-UHFFFAOYSA-N 373.482 2.196 0 40 FEAB O=C(CN1C(=O)CCCc2ccccc21)NCC(=O)Nc1ccccc1 227169331 JKSBYVSGXPYTNS-UHFFFAOYSA-N 351.406 2.111 0 40 FEAB Fc1cccc(N2CCOC[C@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 96078464 MOIWSTDMTVTDNG-BEFAXECRSA-N 358.417 2.340 0 40 FEAB COc1cccc2c1ccn2CC(=O)NCCCc1nnc2ccccn12 95478665 DSTNATXBCFHKBK-UHFFFAOYSA-N 363.421 2.442 0 40 FEAB Cc1ccc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)s1 96049504 PHKWJDLKYVQPOK-SFHVURJKSA-N 361.515 2.289 0 40 FEAB Cn1cccc1CN1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96158211 QPMFNQKUSYWGBM-OAQYLSRUSA-N 352.482 2.477 0 40 FEAB CS(=O)(=O)N1C[C@H]2CN(Cc3ccco3)CC[C@]2(c2ccccc2)C1 96083384 LQAHJYLESBGUBN-IEBWSBKVSA-N 360.479 2.315 0 40 FEAB C[C@H](NC(=O)CN1CCC[C@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 245237690 RAHDGKQQMFVOKU-UWAICQJNSA-N 361.530 2.260 0 40 FEAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)ccn1 257269458 MPZYDNMFFKBHJN-HNNXBMFYSA-N 350.426 2.439 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCn2c(C)nc3ccccc32)[C@H]1O 257314586 UXQAHFPFIIQEAT-YVWKXTFCSA-N 367.453 2.121 0 40 FEAB Cc1nc2ccc(C(=O)N3CCOC[C@H]3CCc3cnccn3)cc2[nH]1 257337741 YUEBOCXOBBEEOX-MRXNPFEDSA-N 351.410 2.135 0 40 FEAB CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1Cl 257234227 GSRPRWJOHALMPM-PBHICJAKSA-N 352.862 2.480 0 40 FEAB COc1cccc([C@H](CNC(=O)N2CCC(C)(C(=O)O)CC2)OC)c1 626773700 RZRBVJXWISSKJF-HNNXBMFYSA-N 350.415 2.279 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cccc(Br)c1 644073365 XSRBGILTOBXUAC-KFWWJZLASA-N 353.260 2.167 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)o1 644868192 WVHRSYIMGGCMMC-TXEJJXNPSA-N 357.334 2.079 0 40 FEAB CCn1cnnc1[C@H]1CN(S(=O)(=O)c2c(C)cccc2Cl)CCO1 668188504 LDPFODXHIBUIJY-CYBMUJFWSA-N 370.862 2.022 0 40 FEAB c1cc(Cn2ccnc2C2CCN(c3ncnc4[nH]cnc34)CC2)ccn1 91435106 ZWYIUBXMHSPBSR-UHFFFAOYSA-N 360.425 2.377 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2cncc(C)n2)[C@@H]1Cc1ccccc1 585280613 LTCQXUQEYQPDOV-HKUYNNGSSA-N 352.438 2.137 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC2(CCOCC2)C1 90608846 UNGRWCAXDZCELZ-UHFFFAOYSA-N 351.468 2.136 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 5241136 DJQCHYNLXYRDDF-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NC[C@@H](C)O)CCOCC3)C2)cc1 12157052 VBFQRMNRVSALIQ-NVXWUHKLSA-N 360.454 2.172 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCO2 12548399 DZXUCBDBWWMOOS-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccc(Cl)cc1 13005415 PAHBMANALGHUBR-UHFFFAOYSA-N 360.797 2.157 0 40 FEAB COc1ccccc1OCC(=O)N1CCC(Cc2cc(N)nc(C)n2)CC1 19758378 YTNDQDOOYSQJSF-UHFFFAOYSA-N 370.453 2.236 0 40 FEAB COc1ccc(CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 19931704 FJZTZYGWYWRFNW-UHFFFAOYSA-N 369.421 2.466 0 40 FEAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1O 6326245 SRQIOLFPQGPVHO-AUWJEWJLSA-N 364.423 2.209 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1 4478911 OLKLINFLNOHGJB-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1ncn(-c2ccccc2)n1 657476136 LYISYSOVFLTMHJ-HNAYVOBHSA-N 352.442 2.258 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(Cl)cn3)CC2)n1 1888842920 GFVWYWGTJGRBMK-UHFFFAOYSA-N 359.865 2.155 0 40 FEAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccccc2)CC1 1888853629 WWTJVAYSOQSBMZ-UHFFFAOYSA-N 352.438 2.333 0 40 FEAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 238883125 PPJKBQLETGISAD-ZDUSSCGKSA-N 362.377 2.300 0 40 FEAB O=C1CC2(CCN(C(=O)c3csnn3)CC2)CN1Cc1cccc(F)c1 1565553091 KEIRFAKXFMBUQJ-UHFFFAOYSA-N 374.441 2.332 0 40 FEAB Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc21 1370903 MYGPPVMKOODRGU-UHFFFAOYSA-N 374.441 2.223 0 40 FEAB CN1C(=O)N[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O 3624280 FEOYCFKIGVXVIR-LLVKDONJSA-N 370.114 2.163 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCc3ccc(C)cc3)n12 4250238 NBDRLRLWTCWTIV-UHFFFAOYSA-N 371.466 2.087 0 40 FEAB Cc1nnc2sc(SCC(=O)Nc3ccc(Cl)cc3)nn2c1=O 4338839 UUERJPOJXCYGHZ-UHFFFAOYSA-N 367.843 2.239 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1849342458 SRYOLZZQBJHBNB-UHFFFAOYSA-N 374.460 2.162 0 40 FEAB CN(C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1 16047659 OIAQQFYABNECLP-CQSZACIVSA-N 367.405 2.409 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 2055839593 WPTQGXKIPKDZCR-QGZVFWFLSA-N 360.454 2.053 0 40 FEAB O=C1CN(C(=O)CCCS(=O)(=O)c2ccccc2)c2ccccc2N1 21009851 DOIFYEPMTIAWJO-UHFFFAOYSA-N 358.419 2.226 0 40 FEAB CCOc1ccccc1C(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482883 CSLBSVIGLNEYRZ-UHFFFAOYSA-N 351.366 2.165 0 40 FEAB CC(=O)C(C(C)=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F 100098054 ZWAHDFVXBRWQEF-UHFFFAOYSA-N 370.249 2.469 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCCSC(F)(F)F)cc(C)c1C 40119032 ONZGPUIBTHKYAB-UHFFFAOYSA-N 370.418 2.194 0 40 FEAB COc1cc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2cc1OC 20441071 ODCBXFUJHYLEQI-UHFFFAOYSA-N 371.441 2.263 0 40 FEAB COc1ccccc1NC(=O)COC(=O)/C=C/C(=O)N(C)c1ccccc1 2651934 YAWKJAVZNNROIY-OUKQBFOZSA-N 368.389 2.396 0 40 FEAB CC1(C)SC[C@H](C(=O)N2CCC[C@H]2C(=O)OC2CCCCC2)N1C=O 1761393 YJRSLMHFMDBVDB-LSDHHAIUSA-N 368.499 2.163 0 40 FEAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCCO2 4410818 LDLBMUHYOVWZAQ-UHFFFAOYSA-N 361.427 2.290 0 40 FEAB Cc1ccccc1N(CC(=O)N1CCc2sccc2C1)S(C)(=O)=O 21627507 WAPDNLDBQIXXRD-UHFFFAOYSA-N 364.492 2.407 0 40 FEAB COc1cc(NC(=O)c2ccccc2OC)ccc1NS(C)(=O)=O 29967864 MAAGWBUYZIODDE-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10963969 LFLSGZFBBCKQNO-UHFFFAOYSA-N 372.816 2.192 0 40 FEAB C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1ccc2c(c1)OCCO2 8036402 ADCYVRNNIJYZEH-LBPRGKRZSA-N 354.362 2.243 0 40 FEAB O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1 801794 LUSMGHUMXUYEQL-UHFFFAOYSA-N 371.418 2.498 0 40 FEAB Cc1cccc(OC[C@@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 23389390 VBJZNZMLPUTWEM-HNNXBMFYSA-N 353.422 2.103 0 40 FEAB CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)O)cc1 12346099 ONQUDWNJNBNMFH-WBMJQRKESA-N 355.412 2.399 0 40 FEAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCN1CCOCC1 22245548 SWPKAXRGZDHQKT-UHFFFAOYSA-N 360.483 2.281 0 40 FEAB CNC(=O)NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 47257263 DPWSLUVXJQLDTK-LBPRGKRZSA-N 356.426 2.110 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1cccc(C(F)(F)F)c1 12568662 XZSOZTCBWLBHRY-KBPBESRZSA-N 366.339 2.273 0 40 FEAB CN(C(=O)CNc1ccc(SC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 57861364 PGWWSOMEYDNKME-LLVKDONJSA-N 364.439 2.059 0 40 FEAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 27249875 OYKLGUHFYCJSNR-HZPDHXFCSA-N 358.413 2.492 0 40 FEAB CN(CCCNC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O 58086283 ITQBAPAGMJRQQJ-UHFFFAOYSA-N 369.487 2.411 0 40 FEAB O=C(CN1CCCN(c2nccs2)CC1)NC(=O)Nc1ccccc1 58162699 AJRKZNKANBTJRL-UHFFFAOYSA-N 359.455 2.004 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(F)c1 22512786 KQMUESMAQHMYDQ-UHFFFAOYSA-N 354.378 2.047 0 40 FEAB CC(=O)N[C@H](C(=O)NCCc1ccn(-c2ccccc2)n1)C1CCCC1 58202033 MEAIOXVNQUQFEH-IBGZPJMESA-N 354.454 2.226 0 40 FEAB COc1ccc(N(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 58343248 XWFVXNOXBKUHPB-ZDUSSCGKSA-N 358.394 2.308 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 36386402 BXWDXGGGNJPHDJ-CHWSQXEVSA-N 369.387 2.444 0 40 FEAB O=C(CCCSc1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 12697791 BYRFKNUERCGMJC-NSHDSACASA-N 370.521 2.472 0 40 FEAB O=C(CNc1ccc2nnc(C(F)(F)F)n2n1)Nc1ccc(F)c(F)c1 12622879 SFYAXZYQMGGPJF-UHFFFAOYSA-N 372.257 2.472 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451474 ORRORHVNHDBOGH-CYBMUJFWSA-N 354.497 2.374 0 40 FEAB Cc1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)ccc1-n1cnnn1 48251817 SFKCLHWDDITDQE-OAHLLOKOSA-N 371.470 2.457 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 3461256 YOVAHAZVPZPNLW-HXUWFJFHSA-N 357.454 2.411 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12933372 NQVZAHMERLOBMO-JTQLQIEISA-N 360.439 2.058 0 40 FEAB O=C(O)CCc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 3886660 FORZUZUJCGUUSD-UHFFFAOYSA-N 352.346 2.191 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1COc2ccccc2O1 13294826 UGYVMCMILMMDOH-KRWDZBQOSA-N 374.418 2.005 0 40 FEAB COc1ccc2c(COC(=O)C3CCN(C(C)=O)CC3)cc(=O)oc2c1 8393910 PQGWOTBXJDTCGH-UHFFFAOYSA-N 359.378 2.103 0 40 FEAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCC(=O)O 4200318 MATKQBMBHKZQDC-CQSZACIVSA-N 350.415 2.103 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc3ccccc3c2O)CC1 6121381 BZZYKEUSZOAECQ-UHFFFAOYSA-N 371.389 2.114 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6339707 DPGMAIKEYZZTTB-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2F)o1)S(C)(=O)=O 20449894 DOAIESREVZMJDW-MDZDMXLPSA-N 352.387 2.462 0 40 FEAB C[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC[C@@H]1c1cccs1 14095910 YHOKXMFBWRKOIW-NWDGAFQWSA-N 367.496 2.085 0 40 FEAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1Cl 65567900 WEXMJTRBAOJSJD-AWEZNQCLSA-N 374.915 2.333 0 40 FEAB CC(=O)N[C@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)C(C)C 14141154 MWBQKHFSICSDKB-WFASDCNBSA-N 352.504 2.474 0 40 FEAB CSc1nsc(SCC(=O)Nc2ccc(O)c(C(=O)O)c2)n1 4502733 RZSQNOSXASFOPZ-UHFFFAOYSA-N 357.438 2.395 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 17636003 MSDKKWCRXWGFHJ-PSASIEDQSA-N 352.239 2.064 0 40 FEAB CC1CCC(N(C)C(=O)COC(=O)c2ccc(-n3cncn3)cc2)CC1 7282093 OREYSELEGUGUTM-UHFFFAOYSA-N 356.426 2.461 0 40 FEAB Fc1ccc(F)c(-c2nnc3sc(-c4cccn5nnnc45)nn23)c1 8992379 GCTNEDLQOFTFJD-UHFFFAOYSA-N 356.321 2.236 0 40 FEAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)[C@@H]3COCCO3)cc12 41790470 DRADZWDCXQTGQW-INIZCTEOSA-N 359.378 2.392 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2nc(-n3cccc3)sc2c1 9048929 QDCHKONXAYRNJU-GFCCVEGCSA-N 361.448 2.004 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc2ccccc2n1 9058091 IASUZSQYIWURIJ-UHFFFAOYSA-N 370.434 2.441 0 40 FEAB Cc1nc(-c2ccccc2)nc(SCC(=O)N2CCOCC2)c1[C@@H](C)O 9134052 SIRQZWLCSZMDOB-CQSZACIVSA-N 373.478 2.456 0 40 FEAB CN([C@H]1CCNC1)S(=O)(=O)c1ccc(Br)cc1Cl 71310268 KBGRRTFMJNPTIJ-VIFPVBQESA-N 353.669 2.085 0 40 FEAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(C)s3)n2)cc1 9206140 VWCMHQCUAYMPFX-UHFFFAOYSA-N 357.395 2.043 0 40 FEAB COc1cc(S(=O)(=O)Nc2cccc(F)c2F)cc(C(=O)O)c1OC 71819805 QQUMIENDRBRUDC-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1cccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4csc(C)n4)[C@H]3C2)n1 306141194 VOBHBADLSYCZAN-QGPMSJSTSA-N 372.494 2.032 0 40 FEAB O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc[nH]c1=S 72039660 RTAUHNWPCXIMHJ-UHFFFAOYSA-N 373.478 2.385 0 40 FEAB NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1Cl 95946518 PZVACPHKBWKVIP-MDZDMXLPSA-N 372.855 2.400 0 40 FEAB O=C(NCc1ccco1)c1cccc(CN2CC[C@H]3CCOC(=O)[C@@H]32)c1 95976352 LJCLZAQKVHPGQT-MAUKXSAKSA-N 354.406 2.347 0 40 FEAB O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N[C@H]1CCOc2ccccc21 89857589 CKWMFFMTNNVNMY-KRWDZBQOSA-N 362.389 2.451 0 40 FEAB Cc1nc([C@@](C)(NS(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)no1 517007298 WEZBRAZAKLVIPC-KRWDZBQOSA-N 373.438 2.167 0 40 FEAB CC(=O)N1CCN(CC2CCCCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355143 IALRDILNAVMAHL-IBGZPJMESA-N 373.545 2.446 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)cc1C(C)C 519787784 RMZWCQIEZNEBNQ-UHFFFAOYSA-N 368.499 2.368 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)NCc2ccccc2Cl)c1C 524733695 GVFFQGKMISKHCI-UHFFFAOYSA-N 364.829 2.152 0 40 FEAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n2ncnc2n1 36619128 ZTIOBHGAPPSLGK-UHFFFAOYSA-N 351.345 2.069 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c(OC)c1OC 32797510 ZBSXRFGQBNWZBO-LBPRGKRZSA-N 351.399 2.128 0 40 FEAB O=C(Nc1ccc2cn[nH]c2c1)C1CN(C(=O)COc2ccccc2F)C1 70815295 JWGQURVREQVFSR-UHFFFAOYSA-N 368.368 2.178 0 40 FEAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1nnc(C2CC2)s1 71285136 PDEQKPMRXSXMEJ-UHFFFAOYSA-N 364.814 2.433 0 40 FEAB O=C(NCc1cc(Cl)sc1Cl)N1CCOC[C@@H]1c1nc[nH]n1 564781442 DLOKKWSBJRCSPJ-MRVPVSSYSA-N 362.242 2.456 0 40 FEAB O=C(CN1CCCC1=O)NCCCNc1ccnc2cc(Cl)ccc12 225885804 FXAOVKQQUZSWFB-UHFFFAOYSA-N 360.845 2.429 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)s[nH]1 569074275 RMEPPAFNYSLJOG-WRWGMCAJSA-N 360.464 2.414 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(OC)c2)cc1 48654409 RMXQJLSBJDJOFC-UHFFFAOYSA-N 358.394 2.357 0 40 FEAB O=C(NCCn1cnc2sccc2c1=O)c1cccc(-n2cccn2)c1 225810331 ROHPUFJKARYJDE-UHFFFAOYSA-N 365.418 2.074 0 40 FEAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccn3)ccc21 225723796 NBNAKHOPFJRGHG-UHFFFAOYSA-N 363.464 2.347 0 40 FEAB O=C(c1cnccn1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 96158448 ANOQUHBYNIOXBD-UHFFFAOYSA-N 351.454 2.390 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc1O2 96053455 JDFDYIGMHYHGBN-OAHLLOKOSA-N 372.465 2.229 0 40 FEAB Cc1cccc(NC[C@@H]2CO[C@]3(COCCN(Cc4cnn(C)c4)C3)C2)c1 96100647 CNISFFCDPXAEIM-WIYYLYMNSA-N 370.497 2.448 0 40 FEAB CN(Cc1ccccn1)[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1 96158697 RPKZARFCBKLXJH-IBGZPJMESA-N 355.486 2.071 0 40 FEAB C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 245228469 ZNOWNILSWVUJDV-MNRXQERYSA-N 366.414 2.150 0 40 FEAB CCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)nc(C)n1 257342976 ZQVCDDRTFOHOLE-UHFFFAOYSA-N 363.487 2.198 0 40 FEAB COc1ccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cc1F 257269615 MQROPSYQKRVTEE-OAHLLOKOSA-N 359.401 2.285 0 40 FEAB CC(C)c1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)on1 257287189 POWTZRRTEGVBLP-MRXNPFEDSA-N 357.401 2.106 0 40 FEAB CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cnn(C)c1 1776002269 SNENKEGYFXAGBA-UHFFFAOYSA-N 355.373 2.160 0 40 FEAB Cc1noc([C@H]2CN(Cc3ccc(-n4cncn4)c(C)c3)C[C@@H](C)O2)n1 628444746 VFKSZIRFJFTTRZ-CXAGYDPISA-N 354.414 2.229 0 40 FEAB COC1CCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)CC1 656859753 WSIGQTCHEKAFHJ-UHFFFAOYSA-N 352.500 2.297 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)CC2CCCC2)C1 1191518171 XCRJUGBYQIYBED-MRXNPFEDSA-N 357.497 2.055 0 40 FEAB C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)[C@@H]1C(=O)[C@H](CO)N(C)C1=O 575623572 JTDBLZHVKWRMGZ-WMSGVWBUSA-N 373.493 2.395 0 40 FEAB in-vitro Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H]2CO)C3)c1 585104604 RFPJIGWONLHURD-VQTJNVASSA-N 372.509 2.463 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)CCn3ccc(C)n3)C2)c1 585272855 RTYYUTRLKPKICY-FQEVSTJZSA-N 357.454 2.323 0 40 FEAB CO[C@H]1CCC[C@H](C(=O)N[C@H](C)Cn2nc3c(cc2=O)CCCCC3)C1 72324397 XVTOFRVAONHSRU-PVAVHDDUSA-N 361.486 2.222 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1ccc(F)cc1 12085383 FBNRYCJPHOMJAM-LXZKKBNFSA-N 354.447 2.398 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCC1CCCCC1 12146315 NNYYZPTVRPFDBL-GOSISDBHSA-N 369.465 2.334 0 40 FEAB Cc1nc([C@H](Cc2ccsc2)NC(=O)Cn2cccnc2=O)sc1C 12228351 PCQULUXWUPIKTR-AWEZNQCLSA-N 374.491 2.478 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@H](C)O[C@H](C)C1 13146723 PETTUSLHKJQRDZ-XQQFMLRXSA-N 359.426 2.391 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575162 AOIGJPJJTVZLBX-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccncc4)C3)ncc2C1 19018429 JPYPWZCGUIPGGD-QGZVFWFLSA-N 351.454 2.156 0 40 FEAB O=C([C@H]1CCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292054 SQSVGOFGHDHDAF-GFCCVEGCSA-N 369.347 2.028 0 40 FEAB COc1ccccc1CCC(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19569818 HTIBKLNODIENIZ-INIZCTEOSA-N 366.465 2.080 0 40 FEAB O=C(Cc1ccc(F)cc1)NCC1(N2CCSCC2)CCOCC1 1888843679 RUCSVZHGFPKKAM-UHFFFAOYSA-N 352.475 2.082 0 40 FEAB O=S(=O)(N[C@H]1CCCN(Cc2ccccc2Br)C1)C1CC1 1889139073 REUSBVUNZLPRGM-ZDUSSCGKSA-N 373.316 2.495 0 40 FEAB COc1ccccc1CC(=O)N1CC(Cn2cc(Br)cn2)C1 1889160446 GRRYNXSIPYQBEJ-UHFFFAOYSA-N 364.243 2.355 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838320 CWXWUTYQFRWJCO-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB Cn1cnc(C(=O)NC2CCC3(CCC(=O)N3Cc3ccccc3)CC2)n1 1565554697 XKGULBUPFAZVPQ-UHFFFAOYSA-N 367.453 2.049 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565550684 FDBOKOPFNAIDEI-XJKSGUPXSA-N 352.385 2.084 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)CCC1 1565552120 KXUMPRUXOHPHEC-INIZCTEOSA-N 374.485 2.388 0 40 FEAB CCOC(=O)CNC(=O)CSc1nc(-c2cccc(C)c2)ns1 2917559 ULSMDANCDQHIGT-UHFFFAOYSA-N 351.453 2.285 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1Cl 10331097 MQDWCCFUDXUSGJ-ZDUSSCGKSA-N 365.817 2.299 0 40 FEAB O=C(COc1ccc(F)cc1)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055738690 KLNRCQJHVLJQDF-HNNXBMFYSA-N 373.428 2.462 0 40 FEAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)CCc3ccc[nH]3)C2)CC1=O 2055812461 DPMAUZWOWTXFNJ-FQEVSTJZSA-N 370.453 2.203 0 40 FEAB Cc1ccc(Cn2ccn(CC(=O)Nc3ccc(C)cc3)c(=O)c2=O)cc1 20488628 QARPIZPAPFUJBI-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1 22767294 ZIFBZBZDATWMCH-INIZCTEOSA-N 352.481 2.100 0 40 FEAB COc1ccc(CNC(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1 575615781 IEESWOCVZDYENI-UHFFFAOYSA-N 351.410 2.490 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254572 BEQZDMKCHXGJCW-STQMWFEESA-N 352.847 2.488 0 40 FEAB Cn1cc(CC(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)c2ccccc21 225552361 QHMAPKXNRVBGIT-SFHVURJKSA-N 365.437 2.297 0 40 FEAB CC(C)(CO)NC(=O)Cc1ccc(NC(=O)NCc2cccs2)cc1 44034986 SPBVRLHVHCJSAL-UHFFFAOYSA-N 361.467 2.499 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 40049150 VJLXMBDERYOSTA-ZDUSSCGKSA-N 366.487 2.400 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 50010230 SCNNUFHWAINSDV-UHFFFAOYSA-N 366.396 2.229 0 40 FEAB CCOC1CCN(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)CC1 50143776 ZWUVCDQLNBBUTM-UHFFFAOYSA-N 374.529 2.328 0 40 FEAB NC(=O)[C@H]1CC(C(=O)N[C@H](c2ccccc2)C2CC2)=NN1c1ccccc1 30803409 UEUCUBWICBTNIN-RTBURBONSA-N 362.433 2.374 0 40 FEAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4)ncn3n2)cc1 21024621 UQJXSTZKMFIAMP-UHFFFAOYSA-N 373.416 2.183 0 40 FEAB CNC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 2645183 SJOXKCOKWAGVJX-UHFFFAOYSA-N 358.423 2.337 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2nccs2)cc1C 32832376 WHVYXRLADYMOIH-UHFFFAOYSA-N 353.469 2.043 0 40 FEAB CNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160415 XJAWAPQDKDYKFI-UHFFFAOYSA-N 371.418 2.356 0 40 FEAB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)cc1 6957362 ZBLKMXNEQLTFNM-LCYFTJDESA-N 353.334 2.225 0 40 FEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 8732519 SPDAFRTXUUHVND-AWEZNQCLSA-N 368.389 2.450 0 40 FEAB CCC(C)(C)NC(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21 52992976 VIOFAZJSRHCINX-UHFFFAOYSA-N 353.488 2.116 0 40 FEAB COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)c1 22730355 QZTSCSVSUHJRCC-QWHCGFSZSA-N 351.447 2.225 0 40 FEAB O=C(CN1CCN(CCc2ccccc2)CC1)NCc1ccc(F)cc1 23249253 IDANNXBKVXFZEW-UHFFFAOYSA-N 355.457 2.302 0 40 FEAB COCCn1cc2c(n1)[C@H](NC(=O)C1CCN(CC(C)C)CC1)CCC2 96002924 DAJKBCRIOBORSJ-GOSISDBHSA-N 362.518 2.391 0 40 FEAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccs1 42649582 FMHNTPMEGSEROQ-OAHLLOKOSA-N 352.481 2.100 0 40 FEAB COc1ccccc1CC(=O)NCc1cccc(CN2CCOCC2)c1 47227479 JJKNYIFMNNKDII-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB O=C(Nc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1)NC1CC1 54801518 VXPZWIYXVXOHOP-UHFFFAOYSA-N 351.366 2.392 0 40 FEAB O=C(CN1CCC[C@@H]1Cc1ccccc1Cl)N[C@H]1CCCCNC1=O 106574141 YUUAPWJPGKXISM-WBVHZDCISA-N 363.889 2.132 0 40 FEAB CS(=O)(=O)N1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1 25251977 OVYYRPOHVCYUKU-UHFFFAOYSA-N 374.388 2.485 0 40 FEAB O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCOCC1 27969768 ZJMBQEZEIBVJJN-UHFFFAOYSA-N 350.216 2.166 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CN1CCN(Cc2ccccn2)CC1 22011775 HOUMAHQQHRFZPW-IBGZPJMESA-N 366.509 2.337 0 40 FEAB COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(C)C 1742967 GTLGIRWPQZLHMU-YVEFUNNKSA-N 361.394 2.183 0 40 FEAB biogenic Cc1ccc([C@H](NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2)cc1 108174530 XUTNZWXHRWIRFF-RYGJVYDSSA-N 366.461 2.476 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCN(C)C(=O)C2)C(C)C)c1 44437714 SLMOKIKRDMMVDP-QAPCUYQASA-N 374.437 2.264 0 40 FEAB Cc1cc(S(N)(=O)=O)sc1C(=O)NCCc1ccc(Cl)cc1 58080784 XNQXVSSKKMOCIP-UHFFFAOYSA-N 358.872 2.330 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 104864218 XKHWJGLNAIBAQI-OWLDWWDNSA-N 358.785 2.382 0 40 FEAB CCCc1nc(CSc2nnc(-c3cccs3)n2CC(N)=O)no1 58218780 JUWQFMKYBNFERX-UHFFFAOYSA-N 364.456 2.120 0 40 FEAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58298820 YAMCZMNOHHBNLT-HKUYNNGSSA-N 355.486 2.483 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 58213849 QONCQUDNGJLMBP-AWEZNQCLSA-N 355.442 2.259 0 40 FEAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)O)ccc12 2152231 DRDRTRQEZRQJEA-GFCCVEGCSA-N 361.394 2.412 0 40 FEAB biogenic C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@@H](C)O1 3326519 QZSPCUHRAOVRIO-XHSDSOJGSA-N 365.905 2.486 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(Cl)c1 12735291 DPLDKAQBIKTRFX-CQSZACIVSA-N 366.826 2.090 0 40 FEAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NC(=O)NC1CCCC1 12866397 ISXKBDWALCAEPS-JTQLQIEISA-N 352.464 2.037 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 12890802 INYHIWLOYZHNQP-INIZCTEOSA-N 374.418 2.177 0 40 FEAB CCSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 21281609 LUXUEIFPTRQTRO-UHFFFAOYSA-N 358.470 2.274 0 40 FEAB C[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H](C)O1 13102607 PGGKZHNTPAVIAU-PHIMTYICSA-N 352.232 2.066 0 40 FEAB COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(N)=O)=C(C)N3)cc1 13123479 YDOWBSPJIZKGSQ-MRXNPFEDSA-N 362.393 2.123 0 40 FEAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 13722769 ZFQYDPRUWMXZMJ-OLZOCXBDSA-N 358.872 2.004 0 40 FEAB O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)C1CC1)Nc1ccc(F)cc1 13856443 VTGFUTRTGVMPLO-GVDBMIGSSA-N 373.428 2.203 0 40 FEAB COc1ccc(N(CCC(N)=O)C(=O)c2cc(OC)cc(OC)c2)cc1 8751216 KZAVFRXCQMDRMO-UHFFFAOYSA-N 358.394 2.235 0 40 FEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC(=O)NC1CCCCC1 5253626 UIMADZZWYJEYDG-UHFFFAOYSA-N 362.817 2.208 0 40 FEAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCCO4)ccc2N1 5252859 AXLGGTYDLIVCLF-UHFFFAOYSA-N 360.391 2.143 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 8886765 DEJOSFRTOGZBLI-HXUWFJFHSA-N 353.422 2.379 0 40 FEAB O=C1C[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)C2CC2)C(=O)N1 65539189 RYOFJCPJGVROBY-QGZVFWFLSA-N 350.374 2.499 0 40 FEAB O=C(CSc1nncs1)N1CCN(C/C=C/c2ccccc2)CC1 14229779 PJKLOXOKQPKLRN-QPJJXVBHSA-N 360.508 2.488 0 40 FEAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1cccs1 6671870 HTUBXAUDBLYIMA-LBPRGKRZSA-N 369.450 2.332 0 40 FEAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1cccc(C(=O)O)c1)C2=O 4726764 FYJVAFRVYTWGRN-KRWDZBQOSA-N 363.373 2.382 0 40 FEAB CCOC(=O)C(=C1SCCS1)c1nn2c(=O)cc(C)nc2s1 6891625 ORCXQJXORFWBTK-UHFFFAOYSA-N 355.466 2.171 0 40 FEAB Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)N1CCOCC1 408608571 RKOJPHBGBNEZCF-UHFFFAOYSA-N 366.483 2.078 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 4999919 MIPNYJFEIZDASP-UHFFFAOYSA-N 351.406 2.439 0 40 FEAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(-n2cncn2)cc1 6990248 CRYUMZLUBRWIMC-GOSISDBHSA-N 362.389 2.444 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CCc2ccco2)cc1 24418521 RLVQSVFFGLHLSA-UHFFFAOYSA-N 367.423 2.085 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 7390278 CNBIUIQXLYPZFS-UHFFFAOYSA-N 351.362 2.115 0 40 FEAB NC(=O)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 28452931 ZSVAUAKXHCUPAK-UHFFFAOYSA-N 371.418 2.418 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2CCN(Cc3cccs3)CC2)cc1 19540001 GVEHQOWMIMUNJO-UHFFFAOYSA-N 373.478 2.291 0 40 FEAB COc1cc(S(=O)(=O)NCCOc2ccccc2)cc(OC)c1OC 7871170 LKWBGPUENGGMLI-UHFFFAOYSA-N 367.423 2.070 0 40 FEAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnnn3C3CC3)ccc21 16550302 PCKFWSIKECWUDS-SNVBAGLBSA-N 357.439 2.281 0 40 FEAB Cc1n[nH]c(C)c1CNC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 69424425 DAOUZVPMNVBPCI-KRWDZBQOSA-N 371.441 2.143 0 40 FEAB O=C(COC(=O)Cc1ccsc1)NCc1cccc(NC(=O)C2CC2)c1 22758620 XOBNZHBAFUQYOX-UHFFFAOYSA-N 372.446 2.499 0 40 FEAB NC(=O)[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2O)C1 93904940 YZKZOCNAEJNJRL-HNNXBMFYSA-N 354.406 2.309 0 40 FEAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(Cl)c1 97015138 ZFMPLUFVXOMYSK-GFCCVEGCSA-N 374.825 2.030 0 40 FEAB C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 97203781 UZOJUKOJGTUASH-LBPRGKRZSA-N 374.890 2.015 0 40 FEAB O=C(Cc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 95473550 DWFJWFGJBMDFNR-UHFFFAOYSA-N 364.249 2.299 0 40 FEAB CC1=CCN(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CC1 89575665 DXAPVEVMZVFFQL-MRXNPFEDSA-N 350.484 2.299 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 26955478 ZFEMKQBMCIWKBU-ZDUSSCGKSA-N 354.472 2.153 0 40 FEAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CC1 408536134 YFXWLNARXBUEKJ-UHFFFAOYSA-N 374.462 2.131 0 40 FEAB Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 554849638 YRXGZZIQAJDFAI-UHFFFAOYSA-N 365.359 2.229 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(C3CCC3)C[C@@H]1C2 306124511 BSANGJCGIMKUFF-STQMWFEESA-N 355.417 2.326 0 40 FEAB COC(=O)C1CCN(C(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)CC1 35592697 HCMPAIPMONAMOQ-UHFFFAOYSA-N 372.377 2.024 0 40 FEAB CC(C)c1ccc(-n2ccnc2S(=O)(=O)CCN2CCCC2=O)cc1 521771299 BWFVEXIUOGJMMC-UHFFFAOYSA-N 361.467 2.392 0 40 FEAB CN1CCN(S(=O)(=O)[C@H](c2ccccc2)C2(O)CCCCC2)CC1 31947021 BYBKIQDJWSSESE-QGZVFWFLSA-N 352.500 2.000 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)nc1 72243083 MSOGMGATTBUNLX-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC[C@@H]1CCCO1 32946331 GIHZPHDHVZCRRW-FZMZJTMJSA-N 364.446 2.397 0 40 FEAB O=C(COc1ccccc1F)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679775 NUPVLPJVMJHFFN-STQMWFEESA-N 366.414 2.327 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 46562348 OXEFBPMBKWHAEV-UHFFFAOYSA-N 366.845 2.442 0 40 FEAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCN1CCOCC1 45162688 CWABIARUQCKIPX-ZDUSSCGKSA-N 371.275 2.055 0 40 FEAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 222774658 FMZQJOUUUABFTQ-DLBZAZTESA-N 367.482 2.395 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 222585508 VVNUXJPYSCLFKY-CQSZACIVSA-N 374.412 2.376 0 40 FEAB C[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 572776398 LKASRJMSIPUNSO-ZBFHGGJFSA-N 360.483 2.217 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96240857 PKQNQENTVBFWTF-GOSISDBHSA-N 371.481 2.151 0 40 FEAB COCCNC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1 98211414 QJYIYQMULMEWJT-UHFFFAOYSA-N 374.372 2.115 0 40 FEAB COC[C@H]1CC2(CCN(Cc3cc(C)on3)CC2)CN1c1ncccn1 96208623 NZTMBBKWELAZLF-QGZVFWFLSA-N 357.458 2.281 0 40 FEAB Cc1cc(C(=O)N2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)no1 96159952 NIFQAJPZMDPQIE-HNAYVOBHSA-N 357.410 2.468 0 40 FEAB COc1ccc(OC)c(CC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 97214923 FKDYOYUJGRRUTL-UHFFFAOYSA-N 353.382 2.169 0 40 FEAB Cn1cnc2c1[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccccc1)CC2 96147196 RBLZRFQUGUFRPE-GOSISDBHSA-N 352.438 2.219 0 40 FEAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(Cc1cccs1)C2 248132756 NRYJEZBKFSQIBX-HNNXBMFYSA-N 359.495 2.498 0 40 FEAB Oc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cc1 248069952 XPNBJRHERJNKHG-KXBFYZLASA-N 352.438 2.281 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cocn2)C3)cs1 248047124 RAPWBEVOTLQFQO-LBPRGKRZSA-N 351.453 2.356 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 248068301 XVAYOWWPIDDSFK-HNNXBMFYSA-N 357.410 2.216 0 40 FEAB COC1(c2ccccc2)CN(C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)C1 585082750 XHJDFWBCYCQMEU-GOSISDBHSA-N 350.418 2.240 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cc1 257301751 RZVABVPVBIRDAE-GOSISDBHSA-N 355.438 2.284 0 40 FEAB C[C@H]1CN(c2ccnc(C(=O)N[C@H](C(=O)O)c3ccccc3)c2)C[C@@H](C)O1 263464209 WHMSZPHZGGBLEX-IYOUNJFTSA-N 369.421 2.251 0 40 FEAB COCCOc1ncccc1NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C 626358715 YXBPJEYQHLSPAA-JQWIXIFHSA-N 363.336 2.290 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCNC3)CCO2)ccc1F 662509803 PFFIJXXRFBYRRA-WMLDXEAASA-N 358.417 2.148 0 40 FEAB Cc1ncc(C(=O)N2Cc3cncn3CC[C@H]2COc2ccccc2)[nH]1 585097287 JTHNIESUOWNXJU-HNNXBMFYSA-N 351.410 2.408 0 40 FEAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106348 YWPGBQVWGNSNAW-OIISXLGYSA-N 373.497 2.429 0 40 FEAB CCc1oc2ccccc2c1CC(=O)NCc1nnc2ccc(OC)nn12 585123667 ADIBFICYOCFERW-UHFFFAOYSA-N 365.393 2.300 0 40 FEAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1cccc(NC(=O)[C@H]2CCCO2)c1 58748256 OTLMUOBHCXDBFQ-QGZVFWFLSA-N 365.389 2.300 0 40 FEAB CNc1nc(C)c(C(=O)N2CCC(O)(c3cccnc3F)CC2)s1 72340063 JRSQWCWSZIKVIO-UHFFFAOYSA-N 350.419 2.151 0 40 FEAB CCn1cc(C(=O)N2C[C@H](c3ccccc3F)[C@@H](C(=O)OC)C2)c(C)n1 72346704 KVIDWWQUVMEZDI-CVEARBPZSA-N 359.401 2.379 0 40 FEAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCC[C@H]1CO 677573467 GVLJKBUKYJKUMV-JKQUEYGFSA-N 362.514 2.376 0 40 FEAB Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)s1 1615126605 LNEMTBBVIMSUGJ-LJQANCHMSA-N 371.462 2.408 0 40 FEAB O=C(CCc1ccco1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615129703 WPGYCQKIIZGJGV-FQEVSTJZSA-N 372.396 2.386 0 40 FEAB COC(=O)[C@H](CCC(=O)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 5605929 ZIQKGYNYCJUPSL-SFHVURJKSA-N 365.385 2.416 0 40 FEAB Cn1c(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc2n(C)c1=O 12422718 GLXCZDJOBMNKJZ-UHFFFAOYSA-N 367.789 2.344 0 40 FEAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2N1 13570949 CWWUAEZGCSTWAO-VIFPVBQESA-N 359.695 2.472 0 40 FEAB CCn1c(=O)n(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 14158163 RBJCDHUPHKAVLR-UHFFFAOYSA-N 365.393 2.021 0 40 FEAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 16637301 QQZJQSOVSVMZPF-AWEZNQCLSA-N 356.488 2.319 0 40 FEAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(S(C)(=O)=O)CC2)C1 19712749 GOPKNVQHVWPLKS-IRXDYDNUSA-N 352.500 2.310 0 40 FEAB COc1ccc(/C=C2/SC(=O)N(CCc3nnc(N)s3)C2=O)cc1 2688562 MSBXQIKBVSRMRB-DHZHZOJOSA-N 362.436 2.408 0 40 FEAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1ccc(C(=O)O)cc1 4521217 PVMDAMXGKHIMSQ-VNHYZAJKSA-N 363.439 2.049 0 40 FEAB in-vitro NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cc(Cl)cc2c1OCC2 544431850 DHRHUXOUYLWYGP-MRXNPFEDSA-N 358.825 2.030 0 40 FEAB COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2 19902863 IIZOPRNUNYVVMM-UHFFFAOYSA-N 352.456 2.074 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)Nc2cnc3ccccc3c2)=NN1c1ccccc1 30765668 AGFNTPBGZOIREK-SFHVURJKSA-N 359.389 2.294 0 40 FEAB Cc1ocnc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984839 PKAIHWOSMPVAFA-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB CS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 5375364 IGEIZHXMVMAZNX-UHFFFAOYSA-N 360.435 2.416 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)no1 10785161 YTZZWFLBYLTJCP-LLVKDONJSA-N 355.441 2.226 0 40 FEAB O=S(=O)(Cc1ccccc1Cl)c1nnnn1-c1ccccc1F 15081622 ICIVHZZDQYSQEN-UHFFFAOYSA-N 352.778 2.429 0 40 FEAB Cc1nc(-c2ccc(N3CCN(C(=O)Cc4cccs4)CC3)nc2)no1 42380520 MKXIPUSKGZKAEH-UHFFFAOYSA-N 369.450 2.393 0 40 FEAB Cc1ccc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 585503775 XGHCJVXOVIIJAC-UHFFFAOYSA-N 353.348 2.277 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@@H](O)c3ccco3)CC2=O)cc1C 77111351 VPAQLOLOQBYEFW-DOTOQJQBSA-N 356.422 2.489 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1C 40005314 HQEGVRGSOCKUEF-INIZCTEOSA-N 369.421 2.330 0 40 FEAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 40154422 XYEXYDMGCADAMF-HOCLYGCPSA-N 370.540 2.096 0 40 FEAB Cc1cc(C)c(CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(=O)[nH]1 16510580 KDLDJVAJYHVPRM-UHFFFAOYSA-N 368.389 2.102 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCOc2ccccc21 8029407 JFEKWWZYPLNRFQ-OAHLLOKOSA-N 352.390 2.442 0 40 FEAB CC(C)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 2640954 RXDJJQGHUCRTMG-UHFFFAOYSA-N 354.406 2.151 0 40 FEAB COc1ccccc1CNC(=O)Cc1nnc(S)n1Cc1ccccc1 16635101 NCHJGKXDENSEHZ-UHFFFAOYSA-N 368.462 2.483 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 1578127 KGDXJTCTVJEABL-HNNXBMFYSA-N 370.405 2.161 0 40 FEAB Cc1cc(COC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)on1 32835975 HNWMNBQNPUFCHH-OAHLLOKOSA-N 352.412 2.029 0 40 FEAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc2ccccc2c1 6558311 WVXMKMCPBPDEOD-UHFFFAOYSA-N 360.357 2.139 0 40 FEAB Cc1ccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 6725854 XWGBYGURAIRZEZ-XWSJACJDSA-N 354.450 2.162 0 40 FEAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 7490336 YIHYLDVEJXPLPF-OAHLLOKOSA-N 374.485 2.412 0 40 FEAB COc1ccc(COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 7970128 BSGMNKXFIGMAEZ-GFCCVEGCSA-N 369.373 2.432 0 40 FEAB CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC(C)C)n1 2733224 JVFCBKFPAXUJMC-UHFFFAOYSA-N 354.361 2.194 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1cccs1)C1CC1 103065722 AYPNCCBVGXGNPW-MWDDYTRKSA-N 356.447 2.046 0 40 FEAB COc1ccc2c(CC(=O)NCc3cccnc3-n3cncn3)coc2c1 47122546 LSOMWVVWWSIJCS-UHFFFAOYSA-N 363.377 2.276 0 40 FEAB CC(C)[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccs1 9609556 BQVMPMXONFBWNZ-AWEZNQCLSA-N 365.480 2.059 0 40 FEAB Nc1nccnc1C(=O)OCC(=O)NC1c2ccccc2-c2ccccc21 9724868 BTYZVTMZBLENBU-UHFFFAOYSA-N 360.373 2.102 0 40 FEAB Cc1cccc(N2CCN(CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)c1C 23641573 OEFRTKNNMGXXJR-HXUWFJFHSA-N 356.470 2.103 0 40 FEAB Cc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(F)c3)s2)cc1 105626395 JYIDBSXSGAXBKX-NHLSHGKWSA-N 354.406 2.132 0 40 FEAB CC(C)CCn1c(Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 1424488 JYPKMHKZDRUMHB-UHFFFAOYSA-N 360.389 2.411 0 40 FEAB O=S(=O)(c1ccc(NCC[C@H]2C[C@H]3CC[C@H]2C3)nc1)N1CCOCC1 107335833 BCXSQMKQGLHQDX-JYJNAYRXSA-N 365.499 2.341 0 40 FEAB CC(=O)NCCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 26789991 ZAEJGWUOUYTSPV-UHFFFAOYSA-N 365.231 2.159 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@@H]1C[C@@H]1c1ccc(F)cc1 78710840 RTDGKLNVIIPBLC-BRWVUGGUSA-N 355.417 2.440 0 40 FEAB COc1cccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)c1 10091222 VZJQJSWFDQOYIT-KRWDZBQOSA-N 352.431 2.416 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)CSc2ccccc2)cc1 27431416 YNSBZRJDVIGNQE-UHFFFAOYSA-N 367.448 2.048 0 40 FEAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1F 44782797 LVWOBLJGDMXJAM-KRWDZBQOSA-N 364.442 2.178 0 40 FEAB CCc1[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c(C)c1C(=O)OC 58218277 NHFJJGSMSXICCF-CYBMUJFWSA-N 363.458 2.049 0 40 FEAB COc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)NC1CC1 8325748 UCQBFAPFQLJXEX-UHFFFAOYSA-N 366.464 2.127 0 40 FEAB Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(C)[nH]c2=O)c(C)c1 62282096 GZAWLVMRQRWTBT-UHFFFAOYSA-N 356.422 2.124 0 40 FEAB COc1cc(-c2nnc(SCC(=O)NC(C)C)o2)cc(OC)c1OC 3450203 MULFGCQLMLODQD-UHFFFAOYSA-N 367.427 2.379 0 40 FEAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 13013235 IGDRKFDISYUVJD-UHFFFAOYSA-N 363.266 2.236 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)CC(=O)NC(C)(C)C)c1C 18072515 MNKVFDQPACVCOK-UHFFFAOYSA-N 351.447 2.185 0 40 FEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1nc2ccccc2[nH]1 17304431 LEXLTLOTYKWRMQ-UHFFFAOYSA-N 355.398 2.146 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 13941981 VNVAJWVXUYGJAX-UHFFFAOYSA-N 360.439 2.412 0 40 FEAB 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 21983617 PIDANAQULIKBQS-YHOQKLRXSA-N 372.461 2.012 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCc3nnc(C)o3)nnc12 8729131 LOOYEWSBHJWSMT-UHFFFAOYSA-N 356.411 2.438 0 40 FEAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5680947 UZBSWTCXMOCKTH-SFHVURJKSA-N 373.434 2.083 0 40 FEAB CC(=O)NCc1ccc(C(=O)CSc2nnc3nc(C)cc(C)n23)cc1 8776661 BUDKXYBHMXATHV-UHFFFAOYSA-N 369.450 2.352 0 40 FEAB O=C(O[C@H]1CCCC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6840851 TYIHORFSMDWTNA-INIZCTEOSA-N 351.424 2.140 0 40 FEAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)cc1F 7057255 GQMFYXWOAUNNBN-SECBINFHSA-N 373.315 2.385 0 40 FEAB COC(=O)[C@@](NC(=O)c1cccnc1)(Nc1nc(C)cs1)C(F)(F)F 8994780 KMEHPXNNTLJPIV-CYBMUJFWSA-N 374.344 2.120 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)C 80310728 UPEQGHBGJXQPPQ-WMZOPIPTSA-N 374.481 2.469 0 40 FEAB CC(C)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 7708379 VDIRFOLRTSMHNG-UHFFFAOYSA-N 354.453 2.258 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccc(F)cc1 80916130 JHVHGKVOGPUEGT-GOSISDBHSA-N 372.444 2.257 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306140039 UHZNTWWLIZXWRK-HUUCEWRRSA-N 373.888 2.374 0 40 FEAB Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 84062083 WALHEUXGJUKJSS-LBPRGKRZSA-N 359.517 2.119 0 40 FEAB Cc1cc(Br)c(NC(=O)CSc2nnc(C)n2N)cc1C 409008381 XRFAKOKBWHFMMZ-UHFFFAOYSA-N 370.276 2.410 0 40 FEAB O=C(OCc1ccccc1)[C@H]1CSCN1S(=O)(=O)c1ccccc1 97124601 UYWPXVMXNRXUAJ-MRXNPFEDSA-N 363.460 2.494 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)co2)sc1CC(C)C 72403480 KWTJNOCGSVUGSQ-UHFFFAOYSA-N 366.395 2.342 0 40 FEAB CN1CCN(C(=O)CC2CCN(CCc3ccc4c(c3)CCO4)CC2)CC1 72630443 DWFUGYOXNYPCEV-UHFFFAOYSA-N 371.525 2.040 0 40 FEAB Cn1nnc2cc(C(=O)OCCNc3ccc(C(F)(F)F)cn3)cnc21 95468972 CSYQDHLMLREJGZ-UHFFFAOYSA-N 366.303 2.046 0 40 FEAB C[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nnn[nH]1 95942099 FEKLGIOLWKCLOO-SNVBAGLBSA-N 356.411 2.047 0 40 FEAB O=C(c1cn(Cc2ccccn2)nn1)N1CCN(C2CC2)c2ccccc21 548313911 LSMYAKCSSUGAMM-UHFFFAOYSA-N 360.421 2.351 0 40 FEAB CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 549509047 LXADDZXXDIZGFV-UHFFFAOYSA-N 362.437 2.057 0 40 FEAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38753018 YFSPDAUXNUPNRL-CRAIPNDOSA-N 374.462 2.481 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3)C2=O)o1 33741205 PPPKOFNKCISTKY-ZROIWOOFSA-N 356.334 2.168 0 40 FEAB Cc1nc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)sc1C 61969174 SVUMPYFPZFIOSP-UHFFFAOYSA-N 374.451 2.440 0 40 FEAB Cc1cc(C)cc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080517 WALYULIAGNUTIG-ZWKOTPCHSA-N 362.495 2.060 0 40 FEAB CN(C(=O)Cc1noc2ccccc12)[C@H]1CCCC[C@@H]1S(C)(=O)=O 76500949 ORLWOGQBUKGSEC-HOCLYGCPSA-N 350.440 2.185 0 40 FEAB O=C(NCCOCc1ccccc1)c1cccc(CN2CCOCC2)c1 224344944 RVSLIYCZRNDOGY-UHFFFAOYSA-N 354.450 2.465 0 40 FEAB O=C(Cn1cc(-c2cccc(Br)c2)cn1)N1CCOCC1 227154375 NPWWGWZMGQMGIY-UHFFFAOYSA-N 350.216 2.171 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96242310 NSMPPJNSFVDYFD-OAHLLOKOSA-N 356.466 2.349 0 40 FEAB CN(C)C(=O)CO[C@H]1CCC[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]21 96054607 RWLFQVUDASTYRS-QYZOEREBSA-N 358.482 2.351 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96043262 NWGSMJSKQZCWBA-IPELMVKDSA-N 355.438 2.313 0 40 FEAB COCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@H]2COC 247885325 RIFQRWSPYWEAEH-HNNXBMFYSA-N 352.500 2.082 0 40 FEAB COc1cc(C(=O)NCCO)cc2c1O[C@@](C)(Cc1ccccc1F)C2 257317813 VLGNQYRMMQUFOD-FQEVSTJZSA-N 359.397 2.493 0 40 FEAB Cc1cc(CC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 257314079 UVEVUKLOKAQONI-GOSISDBHSA-N 355.438 2.390 0 40 FEAB O=C(COc1ccc2c(c1)C(=O)CC2)N[C@H](Cc1ccccc1)C(=O)O 256028022 OHIHMBHLKPESIC-QGZVFWFLSA-N 353.374 2.006 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2C(=O)Cn2cccn2)N1 257284186 PBOXPSHPBCYJRE-SQNIBIBYSA-N 370.428 2.423 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1 257256527 KLVVSZJANNBMFS-QGZVFWFLSA-N 352.438 2.377 0 40 FEAB COc1ccc(CC(=O)N2CCC(Oc3cnccn3)CC2)cc1OC 85557229 MFCHFOBHOZXVDS-UHFFFAOYSA-N 357.410 2.106 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)n1 575403985 KHFDQRZMGXRDMR-OAHLLOKOSA-N 358.467 2.040 0 40 FEAB CCc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3occc3n12 5149408 WUJOPNYVFHWCBQ-UHFFFAOYSA-N 356.407 2.183 0 40 FEAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)NC4CCCCC4)nc3c12 12276442 BTYAMABMWGHDML-UHFFFAOYSA-N 373.482 2.425 0 40 FEAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)OC)c2)cc1 12630444 IFOSNWCHXIFCRM-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB CCOC(=O)[C@@]12CCCC1=NN=C2C1=NN=C2CCC[C@@]21C(=O)OCC 17142136 VXLVKVZHYLVHQC-HDICACEKSA-N 358.398 2.074 0 40 FEAB Cc1nonc1CC(=O)N1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 19688700 AKBRLUPTUJHAAO-HNNXBMFYSA-N 364.409 2.179 0 40 FEAB CSc1ncc(C)c(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1888896984 VEADBEWRLZFXJJ-UHFFFAOYSA-N 367.482 2.480 0 40 FEAB CCn1cnc2c(N3CCN(Cc4ccc(F)cc4F)CC3)ncnc21 1888903953 MBQPBBLSLXIQSR-UHFFFAOYSA-N 358.396 2.447 0 40 FEAB Cc1cc(C)c2ccc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)nc2n1 1889122659 ZCPAEJJJQXRGHI-MRXNPFEDSA-N 354.454 2.322 0 40 FEAB COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)c1 244969033 GUXXIWDETPGOGY-HDJSIYSDSA-N 363.439 2.154 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(c2nc3cnccc3s2)CC1 2087044637 LBYXRYIPJKLYFY-UHFFFAOYSA-N 360.464 2.202 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)CSCc2ccccc21 2087141201 RSFZMFSGJHLDQA-HXUWFJFHSA-N 374.506 2.244 0 40 FEAB CCCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 3015630 QCQAMMKFBRNNNC-UHFFFAOYSA-N 353.426 2.239 0 40 FEAB CCc1ccc(-n2c(C)cn3c4c(=O)n(CC)c(=O)n(C)c4nc23)cc1 4250590 LLMITOLFIGPRQQ-UHFFFAOYSA-N 351.410 2.029 0 40 FEAB COc1ccc(CCNC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 13806425 MOAMVLJNLKTHQI-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)Cc2ccccn2)C1 2055750813 AHMFJDPXPXQOQB-NRFANRHFSA-N 366.465 2.186 0 40 FEAB Cc1cc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)n(C)n1 2055732608 SVPDVSJQQWMMAQ-UHFFFAOYSA-N 373.476 2.403 0 40 FEAB CN1CCN([C@H](CNC(=O)COc2ccccc2)c2ccc(F)cc2)CC1 22783041 KDUWQRFJUOTGGD-HXUWFJFHSA-N 371.456 2.309 0 40 FEAB O=C([C@H]1CN(c2ncnc3ccsc23)CCO1)N1CCC(F)(F)CC1 2086884408 OAADXDFQJFNDHR-GFCCVEGCSA-N 368.409 2.154 0 40 FEAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612653 LPBRXIUAVNZNHN-CYBMUJFWSA-N 371.784 2.474 0 40 FEAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc[nH]c(=O)c12 2922281 ULPISKXNTGOLAY-UHFFFAOYSA-N 354.435 2.255 0 40 FEAB COc1cccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(F)cc3)n2)c1 36869856 LLIIUDQDRZOJJS-GFCCVEGCSA-N 355.373 2.365 0 40 FEAB O=C1CN(c2ccc(NC(=O)[C@@H]3CCCc4ccccc43)cn2)CCN1 40089068 YFXSYJBMTWDNEM-QGZVFWFLSA-N 350.422 2.076 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccoc2C)N2CCOCC2)cc1OC 21198973 FHDCSAOKURQLLY-KRWDZBQOSA-N 374.437 2.409 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)s1 1381633 RKKLROMDMFIWAC-UHFFFAOYSA-N 366.468 2.471 0 40 FEAB O=C(COC(=O)c1cncn1-c1ccccc1)NC(=O)NC1CCCCC1 21433518 PYXJHAKSNFRLJA-UHFFFAOYSA-N 370.409 2.188 0 40 FEAB COc1ccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)cc1 4504030 ARYJIMJUSAIXJD-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB CCOC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 4776915 YACNRPRQKVWBII-JYJNAYRXSA-N 359.426 2.283 0 40 FEAB COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1 7602501 LFRJPRDJHODBCC-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB COC(=O)c1ccc2c(=O)nc(CN(C)Cc3cccc(OC)c3)[nH]c2c1 21916929 VOWGEXDXBIPIOB-UHFFFAOYSA-N 367.405 2.350 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O 57477576 YYSQESSJJRFDTL-UHFFFAOYSA-N 363.417 2.163 0 40 FEAB O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCOCC1 631423 MPWDSIWLRAMXTF-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB C[C@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 22839322 FIKSXISQJUQOHE-INIZCTEOSA-N 352.434 2.418 0 40 FEAB CCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21 23040964 UUEZGSPSVQWZHC-UHFFFAOYSA-N 353.422 2.408 0 40 FEAB COc1ccnc(N2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)n1 47693646 HFQFFVSLSZUDLZ-UHFFFAOYSA-N 370.453 2.138 0 40 FEAB CC[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1cc(C)on1 23628554 RHUMADQJXCIDAR-CYBMUJFWSA-N 352.416 2.184 0 40 FEAB CC(=O)NCc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12514460 RJXKAJRLDHHIJY-UHFFFAOYSA-N 350.422 2.493 0 40 FEAB COCCN1C[C@H](c2cc(O)n3ncc(-c4ccccc4)c3n2)CC1=O 100775587 IGWNEKHIYGHRRA-CQSZACIVSA-N 352.394 2.064 0 40 FEAB COc1ccc(C)cc1NC(=O)CNc1cc(-n2cnnn2)ccc1C 55856138 FKOIKMLTXHWLNJ-UHFFFAOYSA-N 352.398 2.338 0 40 FEAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57525714 CBZYGKMTXNCQHD-UHFFFAOYSA-N 361.760 2.131 0 40 FEAB O=C(CCNC(=O)OCC(F)(F)F)NCc1ccc(-n2cccn2)cc1 58172406 KRSIWXZFCCKSCF-UHFFFAOYSA-N 370.331 2.167 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)Nc2cc(Cl)c(OC)cc2OC)CC1 3346142 CCRQIVPKRVZJGE-GFCCVEGCSA-N 355.866 2.322 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1F 22535151 BBJYRYUWOUAVQH-UHFFFAOYSA-N 361.398 2.499 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 58341590 JURSYOMDPKBLQH-KBXCAEBGSA-N 370.405 2.101 0 40 FEAB Cn1nnnc1-c1cccc(NCC(=O)NCC2(c3ccccc3)CC2)c1 58358011 QKEJTIYKYMKEMQ-UHFFFAOYSA-N 362.437 2.137 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(C)(=O)=O)o1 2341697 QAPAQAUNMGQBRH-LBPRGKRZSA-N 367.427 2.282 0 40 FEAB Cc1ccn(CCNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 36616150 XDQJQPULJVLIPB-UHFFFAOYSA-N 364.409 2.472 0 40 FEAB COc1cc2c(cc1OC)-c1cc(OCc3cccnc3)nc(=O)n1CC2 2442713 VXGKKGMHLPDGHP-UHFFFAOYSA-N 365.389 2.458 0 40 FEAB biogenic CC(C)c1ccc([C@@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12868404 HKOCFCSIEMQCEL-OAHLLOKOSA-N 365.437 2.430 0 40 FEAB CCN(CC(=O)NCC(C)C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13059982 COQYAQGZDFDADL-UHFFFAOYSA-N 350.850 2.171 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N3CCc4[nH]cnc4C3)c(=O)oc2c1 8764956 XPYKPFGQDNIQMI-UHFFFAOYSA-N 367.405 2.351 0 40 FEAB biogenic O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccn1 49550170 JFDZBNFYOBEFKH-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB Brc1cncc(-c2nnc3sc(-c4cnccn4)nn23)c1 13726010 FTAVJYMDKIDFDW-UHFFFAOYSA-N 360.200 2.467 0 40 FEAB COc1ccc(-c2nc(CCNC(=O)NC3CCC(O)CC3)co2)cc1 65562752 NCUKHAGWVVFNPH-UHFFFAOYSA-N 359.426 2.495 0 40 FEAB CN(CCOc1cccc(Cl)c1)CC(=O)Nc1ccc(C(N)=O)cc1 14198509 KDBNRWWTIVZTIQ-UHFFFAOYSA-N 361.829 2.388 0 40 FEAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 14161106 VHVCYYLDFLHFAQ-KRWDZBQOSA-N 361.467 2.204 0 40 FEAB CN(CCOc1ccccc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 14229262 ONHDKXRQCWUFRC-UHFFFAOYSA-N 351.406 2.393 0 40 FEAB CCS(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 5882927 GCNJWHUNFOKMQT-UHFFFAOYSA-N 354.453 2.273 0 40 FEAB COc1ccccc1OCCNC(=O)CSC(=S)N1CCCC1 7484289 KNKWXJJOJTVHSG-UHFFFAOYSA-N 354.497 2.304 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1S(N)(=O)=O 15817268 YEMXTEPSYUCDQO-AWEZNQCLSA-N 366.826 2.238 0 40 FEAB COc1ccc(OC[C@@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 81603020 ZSBFIJKFEKWFBY-AWEZNQCLSA-N 360.385 2.423 0 40 FEAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 9885291 WNMKJFXCAILBIR-IIBYNOLFSA-N 366.417 2.128 0 40 FEAB COC(=O)c1cc(NC(=O)[C@H]2COc3ccccc3C2)cc(C(=O)OC)c1 9882562 WQFOQIWDNHJMAL-OAHLLOKOSA-N 369.373 2.450 0 40 FEAB O=C(CCC(=O)N1CCC[C@@H](CCO)C1)N1CCc2sccc2C1 84618282 DKOYKGDKTKXXDW-AWEZNQCLSA-N 350.484 2.034 0 40 FEAB C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCS(C)(=O)=O)CC1 84651525 SBYIDXPPOIZORP-ZDUSSCGKSA-N 364.433 2.429 0 40 FEAB CC[C@H](C)CS(=O)(=O)NC(=O)c1nnn(-c2ccccc2)c1C1CC1 95958734 JLYGLEQFHVNABV-LBPRGKRZSA-N 362.455 2.250 0 40 FEAB COc1ccccc1-c1nc(NC(=O)CCNc2nc(C)cc(C)n2)n[nH]1 79479615 QWVOYLQYYWTHGR-UHFFFAOYSA-N 367.413 2.328 0 40 FEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 89448856 WPLWMXVVMMJOJE-RZAIGCCYSA-N 368.424 2.226 0 40 FEAB O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 38490018 WPYFFKKZBUIZRX-OLZOCXBDSA-N 350.378 2.091 0 40 FEAB biogenic O=C(CNCCN1CCOCC1)N1c2ccccc2CCc2ccccc21 35311540 RFQHPGGTDRQTFX-UHFFFAOYSA-N 365.477 2.372 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(F)c4)C[C@H]32)c(OC)n1 72392577 VCGWFYIIESSHTH-JNAXZKDPSA-N 373.428 2.363 0 40 FEAB CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1 32909418 QFDCBGSKTZMXAE-UHFFFAOYSA-N 359.517 2.263 0 40 FEAB Cc1cccnc1Nc1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72375236 QURQUBFTWZMKRH-OAHLLOKOSA-N 361.471 2.472 0 40 FEAB O=C(CSc1nc2ccccc2o1)NCc1n[nH]c(=O)c2ccccc12 8582640 FWTAQNBDGXRMSU-UHFFFAOYSA-N 366.402 2.473 0 40 FEAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218666048 NRGBSPNZFPBLLU-OFQRWUPVSA-N 369.801 2.201 0 40 FEAB CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(=O)OC)CC1 226277963 IAZBTGTWPPOFJI-UHFFFAOYSA-N 359.348 2.116 0 40 FEAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCC1CCOCC1 95475181 MSYGYKJKDZKKGV-OAHLLOKOSA-N 352.504 2.170 0 40 FEAB Cc1csc(NC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)n1 95477958 LFPCIQUJFFLFFJ-CYBMUJFWSA-N 358.423 2.148 0 40 FEAB CCc1nnc(C)cc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 583619185 PTWYHEXFELQUGQ-OALUTQOASA-N 354.454 2.149 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](N)CC[C@@H]1C(F)(F)F 583619844 OTZDNXFZHIYOGS-SMDDNHRTSA-N 354.376 2.479 0 40 FEAB Cn1cc(CN2CC3(C[C@@H](CCOc4ncccc4F)CCO3)C2)cn1 248149755 SVXRRNUIZMZSGF-HNNXBMFYSA-N 360.433 2.404 0 40 FEAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(C(F)(F)F)cc1 257314434 UWYAPSGBXHTIAG-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 85561037 KMENOUAZRDNEGL-CQSZACIVSA-N 367.398 2.265 0 40 FEAB CO[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cccc(N(C)C)c1)C(C)C 1775992515 SMKVDOCCMQWHSR-MANSERQUSA-N 373.497 2.285 0 40 FEAB O=C(CCc1nc(O)c2ccccc2n1)N1CC[C@@]2(O)CCCC[C@H]2C1 604405808 VUVHAVKPOQXWRM-XOBRGWDASA-N 355.438 2.422 0 40 FEAB biogenic O=C(Nc1cnn(CCF)c1)[C@H]1CCc2nnc(-c3ccccc3)n2C1 628768164 JJNXFUNNVBHBTC-AWEZNQCLSA-N 354.389 2.312 0 40 FEAB O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1C[C@@H]1CCCO[C@H]1c1cn[nH]c1 629495919 WNMGWQQABPHEIJ-LZDOMEQBSA-N 358.442 2.473 0 40 FEAB O=C(Nc1ccc(-c2ccon2)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1120931936 LXQFSSRZAXQRKC-USXIJHARSA-N 367.405 2.354 0 40 FEAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 585285320 QMELSAXOWHMZJJ-AZUAARDMSA-N 374.868 2.068 0 40 FEAB COc1cccc2c1CCN(C(=O)c1c[nH]nc1[C@H]1CCCCN1)CC2 685941542 CWUDKCRLQIHREP-QGZVFWFLSA-N 354.454 2.474 0 40 FEAB Cc1nnc2ccc(N3CCN(c4nc5ccccc5s4)CC3)nn12 301105133 LYNWKDLBIQZRGH-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)OCC)nnc12 5437068 GTVRQQKFIZFJJY-UHFFFAOYSA-N 360.439 2.500 0 40 FEAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)Cc2nonc2C)c1 12408036 KCEOYCYUDAUBKF-IYOUNJFTSA-N 357.410 2.388 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14076508 RORJCGGNZKQPRI-CQSZACIVSA-N 369.446 2.486 0 40 FEAB CC(C)N1CCc2c(nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2=O)C1 19448437 AHULOHUPZPHWSI-UHFFFAOYSA-N 360.502 2.289 0 40 FEAB Cn1nccc1CN1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1 19696718 YDHMFHUEJVRMNL-AWEZNQCLSA-N 356.451 2.307 0 40 FEAB COc1ccccc1/C=C/CN1CCC[C@@H](c2nnc3n2CCNCC3)C1 19709240 VSWSGHBQXKJXJX-WEBJUUICSA-N 367.497 2.325 0 40 FEAB Cc1ccc(COc2ccccc2/C=c2\sc3n(c2=O)CCN=3)cc1 5552998 NYFITZIGUVFUKF-PDGQHHTCSA-N 350.443 2.259 0 40 FEAB O=C(NC1CCCCCC1)c1nnc2n(c1=O)CCN2c1ccccc1 12233538 KQSSEDCNYASJOM-UHFFFAOYSA-N 353.426 2.243 0 40 FEAB Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)cn1 1888897374 URUJJUJFPMJFCB-QZTJIDSGSA-N 374.448 2.086 0 40 FEAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1cccs1 23977110 LTVBZWCWTCBRQP-LBPRGKRZSA-N 358.510 2.161 0 40 FEAB CCN(Cc1cccs1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 25288438 XROHXYONGOVQAL-UHFFFAOYSA-N 357.435 2.190 0 40 FEAB COc1ccc([C@@H]2Cn3ccnc3CN2C2CCN(C(C)=O)CC2)cc1 2037846571 RIKACEKCANQBMU-IBGZPJMESA-N 354.454 2.460 0 40 FEAB CSc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(C(C)(C)C)n1 2086949994 DOOZPSAYUNNKFY-CYBMUJFWSA-N 364.515 2.324 0 40 FEAB Cc1cnc(C)c(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 2087018080 IWZJQGOVSRDHPN-UHFFFAOYSA-N 353.430 2.126 0 40 FEAB CCn1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 11738161 TWNZDQHCXBBUMM-UHFFFAOYSA-N 350.425 2.169 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)NCc1cncc(-c2ccsc2)c1 206948452 YBGQQHKRMULFOK-UHFFFAOYSA-N 355.419 2.447 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(CC2CCOCC2)CC1 585503388 PJDIUFYGWHVGJB-UHFFFAOYSA-N 368.481 2.444 0 40 FEAB COC[C@@](O)(CNC(=O)c1cncc(Br)c1)c1ccccc1 575609593 NJULVSQTXARZJC-INIZCTEOSA-N 365.227 2.108 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 22090925 CMFNGXHSVFFZDC-KRWDZBQOSA-N 371.462 2.464 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1 5272629 JUENGTIIIGKKFS-UHFFFAOYSA-N 362.451 2.228 0 40 FEAB CC(=O)c1csc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 40131699 XFNRTYOKAUPUQV-UHFFFAOYSA-N 356.407 2.463 0 40 FEAB CC(C)Cc1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1 20629199 OAQGBQZTMFQZDM-UHFFFAOYSA-N 368.484 2.044 0 40 FEAB O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 101385245 SUXPSJLNGRLVJE-VQTJNVASSA-N 354.498 2.479 0 40 FEAB Cc1nnc(O)nc1SCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 11990600 SKYNDZTYFRAZEF-UHFFFAOYSA-N 362.411 2.182 0 40 FEAB CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1 1014247 RYOGLUJKNXVFKZ-GDBMZVCRSA-N 350.415 2.252 0 40 FEAB biogenic C[C@@H](NC(=O)c1cccs1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 32869345 JTGLTXRETXYCRY-MLGOLLRUSA-N 372.446 2.430 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nncs2)cc1 4387824 WDWAIMPPHCHMRR-CYBMUJFWSA-N 366.468 2.028 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O 4999929 MDPBQERBUCJQNF-UHFFFAOYSA-N 367.405 2.139 0 40 FEAB CCC[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)c1ccccc1 32908338 KQMQXLVICQIORT-MRXNPFEDSA-N 366.421 2.376 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)NC[C@]1(N2CCOCC2)CCSC1 52845168 FRWLZOSCUMDGNK-HXUWFJFHSA-N 360.523 2.042 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 8637618 VMABAUDUNZEKAJ-UHFFFAOYSA-N 361.419 2.341 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 37398512 NVNZUIKOTVOMBN-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCCCC2)c1=O 9113914 NPIKWKFEKWZUOC-UHFFFAOYSA-N 357.454 2.412 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(NCCc2cccs2)s1 9515519 RGZABPBPSAFQHQ-MRVPVSSYSA-N 371.513 2.190 0 40 FEAB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 12454225 WXBARTHRNXAKHK-HNNXBMFYSA-N 366.377 2.115 0 40 FEAB O=C(O)COc1cc(OCC(=O)O)c2c(-c3ccccc3)cc(=O)oc2c1 942393 HHZXEPBSXHXMSV-UHFFFAOYSA-N 370.313 2.387 0 40 FEAB biogenic Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 23438938 YUJFPGPNRPVBEQ-KRWDZBQOSA-N 367.449 2.285 0 40 FEAB CCN1C(=O)C(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)C1=O 23762332 HTTUHEVZWGRGRS-GFCCVEGCSA-N 358.423 2.201 0 40 FEAB CCOC(=O)C1=C(COC(=O)CCCC2CCCCC2)NC(=O)NC1 24037859 KEFLQLWUDCFDGM-UHFFFAOYSA-N 352.431 2.410 0 40 FEAB COc1cccc(CNCCNC[C@H](C)O)c1OCc1ccc(F)cc1 22075323 BLHCFMZHPLUBDZ-HNNXBMFYSA-N 362.445 2.473 0 40 FEAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 25653206 KUYWWNRDAPOQTG-QGZVFWFLSA-N 350.484 2.245 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 57478859 CWXCTYZEDJRWMO-UHFFFAOYSA-N 371.462 2.260 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O 57478901 NDDJDVWYQSLQAP-UHFFFAOYSA-N 361.398 2.413 0 40 FEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)cn1 26861181 YWQHXABFXZDKAY-UHFFFAOYSA-N 350.806 2.318 0 40 FEAB CC(C)c1ccc(OCCNC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1 58264195 ZCUOIANLAOHNCV-UHFFFAOYSA-N 370.413 2.106 0 40 FEAB O=C(OCCn1c(=O)oc2ccccc21)c1cc(=O)[nH]c2ccccc12 44920198 PQTLNUIWGVYSHL-UHFFFAOYSA-N 350.330 2.293 0 40 FEAB COc1cc(NC(=O)COC(=O)Cc2ccccc2OC)cc(OC)c1 28829357 SCUWORSGFGBPTB-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB CC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252485 SOPAEKYGRBGCGU-NSHDSACASA-N 358.460 2.018 0 40 FEAB COc1cc(CNC(=O)c2ccc(=O)[nH]c2)ccc1OCc1ccncc1 48344733 XLDBQNPHWSORKZ-UHFFFAOYSA-N 365.389 2.288 0 40 FEAB COC(=O)c1cc(OC(=O)c2ccc(OC)c(Br)c2)nn1C 408561970 MFMZCQMOZWEOMD-UHFFFAOYSA-N 369.171 2.197 0 40 FEAB NC(=O)NCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12855151 WUXJUNOOZFYFGG-UHFFFAOYSA-N 352.394 2.234 0 40 FEAB COc1ccc(CNC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 3451545 RGOFEBKDSRXDNK-UHFFFAOYSA-N 359.401 2.021 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 48479268 MLRBVIXPBIRPQS-ZIAGYGMSSA-N 350.440 2.298 0 40 FEAB C[C@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 13018134 SRNLSECKTMELIQ-ZETCQYMHSA-N 371.344 2.289 0 40 FEAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCC(C)C 8248504 MHWKZOYQFRXYHC-UHFFFAOYSA-N 367.519 2.065 0 40 FEAB O=C(CCc1nc2ccccc2n1-c1ccccc1)N[C@H]1CCCNC1=O 64092486 DPYBLJZRPNPAPJ-KRWDZBQOSA-N 362.433 2.353 0 40 FEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 6107074 XQQFYOIPPWTIQV-CYBMUJFWSA-N 369.373 2.268 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CC1 14184308 KAMPLMAOOBVPRC-UHFFFAOYSA-N 359.401 2.181 0 40 FEAB C[C@@H]1CN(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 14202435 XAMXRKONEHGVPC-GHMZBOCLSA-N 367.298 2.480 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 25594363 PKKJIRYNYZJEBJ-FZKQIMNGSA-N 364.467 2.116 0 40 FEAB CN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842448 BLWJOFKFRKTYAK-UHFFFAOYSA-N 358.419 2.025 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1 29110671 INCWVVRZZAIVNN-UHFFFAOYSA-N 368.433 2.449 0 40 FEAB COc1ccc2nc(C)c(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2c1 9336276 NZOYLTIPXREEBS-OAHLLOKOSA-N 358.394 2.004 0 40 FEAB COc1ccsc1S(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 97104256 JZSDSSSRJWNGJV-UHFFFAOYSA-N 364.452 2.063 0 40 FEAB Cc1cnc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)o1 72312860 OXFRPMWHYZHHRR-UHFFFAOYSA-N 363.317 2.076 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)C[S@@](=O)Cc1cccc(C(N)=O)c1 84705461 FKKHSAYWJXOLTB-IYJVBRSBSA-N 370.474 2.402 0 40 FEAB Cn1cc(C(=O)C[C@@H]2CCCN2c2ncc(Br)cn2)cn1 95455241 NCZIOIJUKKJMQZ-LBPRGKRZSA-N 350.220 2.214 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](COc4ncccc4F)CCN3C)C2)on1 306136643 PZDFPXJJZZZYIW-AWEZNQCLSA-N 374.416 2.133 0 40 FEAB NC(=O)c1cn(C2CN(c3nc4cc(C(F)(F)F)ccc4s3)C2)nn1 95999401 JOQLDOGHCNMZPQ-UHFFFAOYSA-N 368.344 2.067 0 40 FEAB O=C(Nc1cccnc1N1CCCC1)N1CCCC[C@H]1Cn1ccnn1 95942207 YPYKRNMINQXCDB-HNNXBMFYSA-N 355.446 2.360 0 40 FEAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)COC2=O 85875343 OQISMBHYNAWLFH-UHFFFAOYSA-N 363.373 2.486 0 40 FEAB biogenic O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1F 23127814 LQRCGCRIPVBUNX-INIZCTEOSA-N 360.360 2.295 0 40 FEAB CCCn1c(Nc2ccc3c(c2)OCCO3)nc2c(C)nn(C)c2c1=O 32652858 FGQHNNZURILOHI-UHFFFAOYSA-N 355.398 2.363 0 40 FEAB COc1cccc([C@H]2[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC(=O)N2C)c1 72405130 CBYOHLFGLIRGGZ-KDOFPFPSSA-N 364.405 2.152 0 40 FEAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217442325 GQSSENANPSNNLF-UHFFFAOYSA-N 356.444 2.053 0 40 FEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)NC1CCCCC1 314023637 JMTGSSDKQUCTKD-UHFFFAOYSA-N 365.227 2.427 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)c(Cl)cc21 223341141 LSGIEUQDOVMAKH-UHFFFAOYSA-N 352.799 2.263 0 40 FEAB COc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225163415 OIJWKVFUKASSGK-QGZVFWFLSA-N 363.435 2.320 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223571444 KVJPKIBSQBCJES-WBAXXEDZSA-N 372.494 2.027 0 40 FEAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]cnc2c1 96114149 ZYEPIHCSSLHZMG-HNNXBMFYSA-N 363.377 2.032 0 40 FEAB biogenic c1cc(CN2CCOC[C@H]2c2nccc(NC3CCOCC3)n2)ccn1 96219982 CLUMXLNQUZLLGN-KRWDZBQOSA-N 355.442 2.036 0 40 FEAB O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 579921793 OCNCCLLYRMOTTR-GOSISDBHSA-N 374.466 2.305 0 40 FEAB CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 333707229 LMQCQDMLVDUPLZ-IJEWVQPXSA-N 350.463 2.190 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)c1ccccc1 96205915 XNCCQEFTHFLSCY-TZIWHRDSSA-N 358.482 2.467 0 40 FEAB Cc1ccc(CN2CCC3(CC2)CO[C@H](COCC(=O)N(C)C)C3)o1 96105949 PXQZNCHRXFTTDD-KRWDZBQOSA-N 350.459 2.064 0 40 FEAB Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCc3cccnc3)C2)no1 247896218 HFNBKNURJMDEJC-QGZVFWFLSA-N 365.437 2.128 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 257221512 DPJMGEAEWPJBPP-HNNXBMFYSA-N 359.455 2.163 0 40 FEAB O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(N2CCCC2)nn1 585124083 NBGXUPUQKXVKMG-KRWDZBQOSA-N 366.400 2.458 0 40 FEAB c1cnc(Nc2cc(C[C@@H]3CCCN(Cc4cc[nH]n4)C3)ncn2)cn1 257329729 XLGPPXFDVIQEGS-AWEZNQCLSA-N 350.430 2.188 0 40 FEAB O=C(NCc1coc2ccccc12)N1CCN(CCc2cnccn2)CC1 633008920 QVPDOMOPQAXMME-UHFFFAOYSA-N 365.437 2.293 0 40 FEAB Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3[C@H]4Cc5cc(F)ccc5[C@@H]43)C2)cn1 664219584 RVMRCDUTRIATSU-UDTPNQRGSA-N 369.444 2.166 0 40 FEAB CCCC[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](OCC)C(C)C)CC1 1775992956 VTUQLFXVWIZUDB-IAGOWNOFSA-N 370.534 2.344 0 40 FEAB OC1CCN(CCCNc2ncnc3c2Cc2ccccc2OC3)CC1 97499455 ITSANRSEDZYDST-UHFFFAOYSA-N 354.454 2.219 0 40 FEAB Cc1ccc(CN2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)cc1 585104950 MSQIZCPRCVGVQK-KRWDZBQOSA-N 364.511 2.058 0 40 FEAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112868 WHNNXDCSMMLHPU-INIZCTEOSA-N 368.890 2.033 0 40 FEAB O=C(CN1CCC[C@@H]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 52489218 KZXRZHHXWFPTFL-LJQANCHMSA-N 358.482 2.495 0 40 FEAB COc1ccc(N2CC[C@@H](NC(=O)c3ccc4[nH]cnc4c3)C2=O)cc1 169793012 JNSRBBDOZDLVGJ-MRXNPFEDSA-N 350.378 2.107 0 40 FEAB CCN1C(=O)[C@H]2CN(Cc3ccc(Cl)cc3)CCN2C12CCOCC2 1772595462 ZKTCWYUEANZXRP-QGZVFWFLSA-N 363.889 2.195 0 40 FEAB CCS(=O)(=O)N1C[C@@H](c2cc(O)nc(C)n2)[C@H](c2ccccc2F)C1 12276111 PENJNJFHJTYNEH-UONOGXRCSA-N 365.430 2.162 0 40 FEAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N(C)CCOc3ccccc3)N2C=C1 12290372 BSIACVVIECNPRX-FQEVSTJZSA-N 353.422 2.387 0 40 FEAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncn(C)c(=O)c12 14185351 HMNTXVBHQTYOON-UHFFFAOYSA-N 357.391 2.327 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 16139295 OIQAYBMXRCCZEK-MRXNPFEDSA-N 361.419 2.124 0 40 FEAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575415 DSVCEDSTYCINNX-CYBMUJFWSA-N 354.472 2.199 0 40 FEAB CCn1cc([C@@H](O)CN2CCN(c3cnccn3)CC2)c2ccccc21 19524777 MBLVZEWLGYXLIY-IBGZPJMESA-N 351.454 2.307 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1OC 19560452 YOSNWWXBNAIAEE-AWEZNQCLSA-N 367.409 2.048 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)c1 19588810 NIWYDNKIEKXFCS-GOSISDBHSA-N 352.438 2.450 0 40 FEAB CNC(=O)c1ccc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19705640 UGEUGQZQYQXTFM-HNNXBMFYSA-N 371.412 2.365 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc(Br)s2)C1=O 5568976 VMQYIFMWWAFQQG-UHFFFAOYSA-N 373.228 2.284 0 40 FEAB Cn1nc(C2CCN(c3ncnc4cc(F)ccc34)CC2)n(C2CC2)c1=O 1888904020 RYQCMLLSPVHSHO-UHFFFAOYSA-N 368.416 2.383 0 40 FEAB COc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1F 1889186911 YOQYZYTVNJSOAM-UHFFFAOYSA-N 368.416 2.132 0 40 FEAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1cnn(-c2ccccc2)n1 244975172 IEVOWWSDBHLFOU-GOSISDBHSA-N 359.393 2.030 0 40 FEAB CC(C)N(C)CC(=O)N1CCC2(CCN(Cc3nccs3)C2)CC1 1565544415 KJDSOEULHSPLQZ-UHFFFAOYSA-N 350.532 2.298 0 40 FEAB COCCn1c(SCC(=O)NC(C)C)nc2c([nH]c3ccccc32)c1=O 5106622 BJQCGHYKBSCJKH-UHFFFAOYSA-N 374.466 2.141 0 40 FEAB O=C(COc1ccccc1F)Nc1cccc(N2CCCS2(=O)=O)c1 5339233 MPCGFEZQBNUQJL-UHFFFAOYSA-N 364.398 2.383 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 40049149 VJLXMBDERYOSTA-CYBMUJFWSA-N 366.487 2.400 0 40 FEAB CCC(CC)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 40087035 SVNGQQVKTBATOS-GOSISDBHSA-N 373.501 2.078 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1)C2 50022210 HKVMAXVZEFSZHV-IJEWVQPXSA-N 361.438 2.294 0 40 FEAB COc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 40160023 BWIRSJMLQZSPQP-GOSISDBHSA-N 373.474 2.454 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 32820944 PSJLBMUIADRVSA-KRWDZBQOSA-N 350.378 2.302 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3cccc(C)c3C)nc3nonc3n12 6418288 CSJYAVZDLBGKGN-UHFFFAOYSA-N 367.369 2.127 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6726421 TVIBHIQPSDGCPZ-XWSJACJDSA-N 356.466 2.120 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccc(C)cc2)s1 6818356 USERLCUYJBTCSE-UHFFFAOYSA-N 354.457 2.410 0 40 FEAB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(N)=O)cc1 6963033 VPBKXRUPRVPJFD-RVDMUPIBSA-N 365.389 2.495 0 40 FEAB Cc1nc(-c2cccnc2)nc(N2CCC[C@H](N3CCNC3=O)C2)c1C 78804705 VCQICJBMDCEBDO-INIZCTEOSA-N 352.442 2.149 0 40 FEAB Cc1cc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 665689 NIYYGQABAJWXJB-UHFFFAOYSA-N 358.419 2.395 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1OC 782944 IVHUAIWFHNBLMN-UHFFFAOYSA-N 354.406 2.302 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCC1 9738054 OIEDHTTYCXFLPT-UHFFFAOYSA-N 361.427 2.306 0 40 FEAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1ccc2c(c1)OCCO2 100216243 BIVKLBNHRFPQFD-HUUCEWRRSA-N 353.422 2.394 0 40 FEAB COCCn1ccc2c(cnc3nc(-c4ccc(Cl)cc4)nn32)c1=O 12407057 UZOTVKWTFHOMSF-UHFFFAOYSA-N 355.785 2.406 0 40 FEAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(Cl)c[nH]1 23893169 QJSYNUKNVZIIPV-UHFFFAOYSA-N 362.817 2.258 0 40 FEAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCCC1 24992573 JAMQANIDWCURSC-STQMWFEESA-N 364.829 2.247 0 40 FEAB O=C(NC[C@@H]1COCCO1)c1c(-n2cccc2)sc2c1CCSC2 55846479 SXZRYISAZVBVNH-GFCCVEGCSA-N 364.492 2.473 0 40 FEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1 20736126 MGGXLHMSSFARPG-CQSZACIVSA-N 353.378 2.250 0 40 FEAB CCS(=O)(=O)N[C@H]1CCCN(C(=O)CSc2ccc(C)cc2)C1 58017697 OHLTZMFFGFIFAW-AWEZNQCLSA-N 356.513 2.017 0 40 FEAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N(C)C)c1 10091241 KZANQDYLTWVQDL-QGZVFWFLSA-N 352.431 2.416 0 40 FEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC[C@H]2CCCO2)CC1=O 58404946 FSKJDMDDAMANRP-GXTWGEPZSA-N 366.845 2.387 0 40 FEAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 2241632 TZADOPULMZEIMI-ZDUSSCGKSA-N 360.435 2.431 0 40 FEAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@H]4C 2211857 OLJFHVXWQAEZJP-ZJUUUORDSA-N 359.455 2.280 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCCc3cccc4cccnc34)cc2C1=O 12764964 HMJGYLWMGCSKPK-UHFFFAOYSA-N 359.385 2.433 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(F)c1 12883955 VMGBSEBCNYUSTH-IBGZPJMESA-N 353.353 2.373 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1COc2ccccc2O1 13294825 UGYVMCMILMMDOH-QGZVFWFLSA-N 374.418 2.005 0 40 FEAB Cc1csc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)n1 13721436 RFNOVKMYDGMMEE-UHFFFAOYSA-N 356.407 2.125 0 40 FEAB COC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 70667766 SOAZJUXGLGZFAG-AWEZNQCLSA-N 362.451 2.276 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1 70639784 BVQYKWKOHFAIBK-GOSISDBHSA-N 362.813 2.311 0 40 FEAB O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 6259366 YZLUQGRCRSZOLV-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)cc1 9238699 PMBGVPYCKBZZBH-GJZGRUSLSA-N 361.471 2.223 0 40 FEAB COc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1OC 5666230 VABQRGRRHILOMI-UHFFFAOYSA-N 355.346 2.043 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1 4937991 DAPAXWXOBRTSGJ-VIFPVBQESA-N 368.390 2.287 0 40 FEAB CCNC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 67301477 YZGZSZLMORDLAF-UHFFFAOYSA-N 366.377 2.306 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc2c(c1)OCCO2 8060177 BVBXZDDKYRHWQY-UHFFFAOYSA-N 354.362 2.212 0 40 FEAB O=C(c1ccco1)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 16699042 IXKNZXOGCJTPDW-UHFFFAOYSA-N 356.357 2.427 0 40 FEAB Cc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccccc2F)c1 8233392 UJCDDRXBXLAJCV-CYBMUJFWSA-N 358.369 2.434 0 40 FEAB O=C(COC(=O)c1ccccc1O)Nc1ccccc1N1CCCC1=O 9513815 ISCHTRJFAAGSKW-UHFFFAOYSA-N 354.362 2.315 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccsc2)n1 9514323 UQPQHFNSWNAXPM-UHFFFAOYSA-N 354.409 2.106 0 40 FEAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306131399 KDQCSTRIYDTHMX-UHFFFAOYSA-N 369.469 2.240 0 40 FEAB CCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709565 UFJZKFZUZWJYAK-UHFFFAOYSA-N 353.422 2.471 0 40 FEAB COc1ccc(S(=O)(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1 98212054 LPTILLXZAWPUFK-UHFFFAOYSA-N 356.403 2.382 0 40 FEAB CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 23161760 XLXXLYKDIGXEAJ-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB O=c1[nH]c(O)ncc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 32553896 SJFYALLNFANFOT-UHFFFAOYSA-N 359.363 2.069 0 40 FEAB CC1CCN(S(=O)(=O)NCc2cccnc2OCC(F)(F)F)CC1 506262816 GDYYBYLODHXKOY-UHFFFAOYSA-N 367.393 2.089 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980018 LPGVBJIBITXSFF-CYBMUJFWSA-N 373.236 2.341 0 40 FEAB COc1ccccc1CC(=O)N1CCC(c2nn(C)c3nccnc23)CC1 72393813 OGGUZQZSACVDIF-UHFFFAOYSA-N 365.437 2.321 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)C(C)C 225232603 XXFVJPHPFQPERW-XJKSGUPXSA-N 356.488 2.401 0 40 FEAB CN(C)c1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 75162080 BAZUSCQEAYVPPI-UHFFFAOYSA-N 362.333 2.242 0 40 FEAB CC(C)(C)n1cnc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)n1 577282294 DNRQQGLSECKHEQ-NSHDSACASA-N 354.769 2.381 0 40 FEAB Cn1cnc(CCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 582471634 HHTVMKFKOGIVPJ-CEXWTWQISA-N 354.454 2.177 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)CCOC1)c1cccc(CN2CCCC2=O)c1 585084093 WMBPQZZYCSUFNH-INIZCTEOSA-N 356.344 2.260 0 40 FEAB CN1CCN(c2ccc(C(=O)NCC3(c4ccccn4)CC3)cc2F)CC1 585080654 WFHHCKHMSNFYKY-UHFFFAOYSA-N 368.456 2.434 0 40 FEAB Cc1nc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)cn1C 585138573 FWUHHYYSATXIEM-GFCCVEGCSA-N 368.890 2.281 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)Nc1cccnc1 96208393 NPJHUAGFBDIJRJ-QRQLOZEOSA-N 352.438 2.342 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242548250 LFLHUJWIIGKJIL-XJKCOSOUSA-N 374.890 2.073 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccco1 248073444 YXOWMSVOCVNCIB-AWEZNQCLSA-N 361.467 2.456 0 40 FEAB C[C@]1(O)CN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1Oc1ccccc1 257257512 KPYAZMOCUMWOAW-FPOVZHCZSA-N 365.433 2.467 0 40 FEAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccc3CC(=O)O)ccc2O1 275278321 NYGRBFHWCAYZKD-GFCCVEGCSA-N 361.419 2.116 0 40 FEAB CCN1CCN(Cc2ccc(NC(=O)c3ccc(C(=O)O)cn3)cc2)CC1 613695683 BJQMBVWTEDKGKQ-UHFFFAOYSA-N 368.437 2.170 0 40 FEAB Cn1cc(C(=O)NCCn2cc(-c3ccccc3)nn2)c(C(F)(F)F)n1 1640761620 WAKJLHALHJDVDA-UHFFFAOYSA-N 364.331 2.127 0 40 FEAB O=C(Cn1ccc(C2CC2)n1)N1CCC[C@](O)(COc2ccccc2)C1 585275579 GWXRUDXTUBAWLW-HXUWFJFHSA-N 355.438 2.193 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cc(C)cc(C)c3)C2)OC1 585105367 VFBSWORHAFXDDF-QGZVFWFLSA-N 366.527 2.224 0 40 FEAB CC(C)N(C)C(=O)C1=NO[C@]2(CCCN(Cc3cnn(C(C)C)c3)C2)C1 585101318 XVHPIKVLUCYBEP-LJQANCHMSA-N 361.490 2.442 0 40 FEAB Cc1cncc(CN2CCC[C@@]3(C[C@H](NC(=O)OCC(C)C)CO3)C2)n1 585102413 JTUVPIKGCNSIGP-QFBILLFUSA-N 362.474 2.291 0 40 FEAB O=C([C@H]1CCC(F)(F)C1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 684577345 YALKYKFICOGUOC-JKSUJKDBSA-N 368.424 2.006 0 40 FEAB CC(=O)c1cc([C@@H](O)[C@@H](C)O)ccc1OC(=O)c1ccc2c(c1)OCO2 49180875 BVHCIBPROINFPQ-ZMZPIMSZSA-N 358.346 2.251 0 40 FEAB biogenic,in-vitro Fc1ccccc1-c1nnc2ccc(NCCCCN3CCOCC3)nn12 57138918 JLCMXEMCJFFYLV-UHFFFAOYSA-N 370.432 2.455 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2CCC[C@H](C)C2)c1C 57863831 AXARUMCJNWCPRM-ZDUSSCGKSA-N 367.515 2.224 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 5387873 WBAWAHRDDALIGK-UHFFFAOYSA-N 367.361 2.319 0 40 FEAB CC(C)N1CCc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2CC1 12187074 VQLPZOJLHMFBAP-UHFFFAOYSA-N 368.481 2.335 0 40 FEAB COc1ccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)c(OC)c1 13549695 GLGYHHQAKIXJLX-DHDCSXOGSA-N 364.423 2.030 0 40 FEAB COc1cccc2[nH]c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc12 19287888 LESLFMZMSOIOHD-UHFFFAOYSA-N 368.437 2.349 0 40 FEAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 19593536 YUYMTFKHNWCCOX-MRXNPFEDSA-N 373.453 2.439 0 40 FEAB COCCC(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215243 ZNASKTAQUAYZQZ-UHFFFAOYSA-N 352.394 2.289 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 17012326 ZKVWHUUVBXSNMT-UHFFFAOYSA-N 369.444 2.487 0 40 FEAB CNc1nc([C@H]2CCCCN2C(=O)C(C)C)nc2c1CN(C(C)=O)CC2 19711579 QCHYXMOLNJYTNK-MRXNPFEDSA-N 359.474 2.133 0 40 FEAB CCc1noc(CSc2nc3ccccc3c(=O)n2CCC(=O)OC)n1 22751240 FFGFQFIFPPDKNF-UHFFFAOYSA-N 374.422 2.197 0 40 FEAB Cc1cc(CNC(=O)CNc2cccc(-n3cnnn3)c2C)ccc1F 32770287 PGTHHQUMOGZQJO-UHFFFAOYSA-N 354.389 2.147 0 40 FEAB O=C(c1ccccn1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985958 KZLAIHITXJBHDT-UHFFFAOYSA-N 352.438 2.070 0 40 FEAB OC1(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CCCCCC1 2037954801 LDYCHARBIJCUJQ-NRFANRHFSA-N 370.497 2.246 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4ncccc34)C[C@H]2C)cn1 2087000763 VGXBBUSAKPJWPS-CQSZACIVSA-N 350.426 2.139 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc3c(c2)OCO3)cc1 17052231 DPYKDHOYFGIJNX-UHFFFAOYSA-N 352.354 2.021 0 40 FEAB Cc1c(CN2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)cnn1C 2055751350 NCCBYOGABBIAEJ-FQEVSTJZSA-N 355.486 2.263 0 40 FEAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 23115403 YUWQULLVIBZTGU-UHFFFAOYSA-N 360.439 2.004 0 40 FEAB O=C([C@H]1CN(c2ccc(Br)cn2)CCO1)N1CCCCC1 2086856791 NMVXFSGOULPPNT-CYBMUJFWSA-N 354.248 2.062 0 40 FEAB CCc1ncnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)c1F 2298048654 YUAVSSMBJGLEBY-UHFFFAOYSA-N 370.432 2.248 0 40 FEAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(F)F)c(OC)c1 1460560 VCCXSTSKIYXWAB-ZDUSSCGKSA-N 366.324 2.350 0 40 FEAB C[C@H]1CN(C(=O)Cn2c(C3CCNCC3)cc3cccnc32)C[C@H](C)O1 12133721 QGOAPBZSGQKPIK-GJZGRUSLSA-N 356.470 2.139 0 40 FEAB CC1CCN([C@@H](CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1 19655288 POVLIMFYPFZJSG-HNNXBMFYSA-N 359.499 2.252 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 40001049 FGQNENCJYJJITI-GOSISDBHSA-N 365.437 2.303 0 40 FEAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1n[nH]c(=O)c2ccccc12 30221249 GWPVNWRCGNFIBA-UHFFFAOYSA-N 359.389 2.098 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cc[nH]n1 40105381 ZACCCSNRCWJBTM-AWEZNQCLSA-N 366.874 2.231 0 40 FEAB CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1 30762996 KLNSGVZXPBUBIU-MRXNPFEDSA-N 366.483 2.159 0 40 FEAB COc1cc(OC)cc(-n2ccc3c(cnc4nc(SC)nn43)c2=O)c1 30875370 DHIISAFLTKUEGN-UHFFFAOYSA-N 369.406 2.168 0 40 FEAB CC(C)CNc1nnc(SCCn2nc3ccccn3c2=O)s1 31848258 XOMCKLHKPFRUQM-UHFFFAOYSA-N 350.473 2.208 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1 810171 XSGPUJCEIAPMOB-UHFFFAOYSA-N 361.467 2.017 0 40 FEAB COc1cccc(CNC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)c1 8490565 ITMNKQPRLULCQZ-UHFFFAOYSA-N 369.373 2.380 0 40 FEAB biogenic CCn1cc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)cn1 2804225 RQSXRFZSVJLIOD-UHFFFAOYSA-N 359.455 2.184 0 40 FEAB CN(C(=O)c1ccn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O 76498344 VKPNXVGGJGWXPA-DLBZAZTESA-N 361.467 2.300 0 40 FEAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1 7580972 LHZBJWRCAFYRAF-UHFFFAOYSA-N 370.405 2.271 0 40 FEAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)NC[C@@H]1CCCO1 32957440 HALIEASLPQGYRQ-OLZOCXBDSA-N 362.455 2.052 0 40 FEAB C[C@@](O)(CNC(=O)c1ccc(N2CCOCC2)c(F)c1)c1ccsc1 77636673 DRLDGCOIVNJMFM-GOSISDBHSA-N 364.442 2.361 0 40 FEAB C[C@H]1SCCN1S(=O)(=O)c1ccc(I)cc1 629879 IBJCTSNYBRZTTQ-MRVPVSSYSA-N 369.249 2.375 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 22385052 QUJKDWGJHXHCSE-SECBINFHSA-N 353.835 2.165 0 40 FEAB CC(C)c1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 9235556 PRJAUZHNGQBHEB-UHFFFAOYSA-N 354.406 2.471 0 40 FEAB NC(=O)CCSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 22845374 XHDPSYNJDOPUBY-ZDUSSCGKSA-N 350.419 2.231 0 40 FEAB O=C(Nn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1cnccn1 9749365 ABUXLEUTWYCCFE-UHFFFAOYSA-N 367.365 2.438 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCCCC1 9761946 OKSZUYSCRIBILH-UHFFFAOYSA-N 357.432 2.042 0 40 FEAB O=C(O)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 959163 GWKWCFOJMAFVIB-UHFFFAOYSA-N 353.330 2.040 0 40 FEAB biogenic O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCNC(=O)C1CC1 54671490 MGFZWCXODDNSCQ-UHFFFAOYSA-N 363.364 2.195 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2nc(O)oc2c1 24350655 ZHKSSZZVJMVIIU-UHFFFAOYSA-N 374.374 2.071 0 40 FEAB O=C(NOCc1ccccc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 25286964 CRURZDPZHKYCQS-IAGOWNOFSA-N 374.437 2.216 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(-n3cnnn3)c2)c1 57833563 BJJAANIHDGPDJL-LBPRGKRZSA-N 353.382 2.171 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc2ccccc2[nH]1 12531358 KTXCWBGFOMNEPQ-UHFFFAOYSA-N 361.405 2.391 0 40 FEAB Cc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)cccc1-n1cnnn1 12552127 CCIIGPUOCWKXMA-UHFFFAOYSA-N 355.423 2.260 0 40 FEAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)o1 57464119 SUQPKURUFDBQMB-UHFFFAOYSA-N 359.401 2.432 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 27745415 LSYWUFJKTCJQMU-WMLDXEAASA-N 362.401 2.376 0 40 FEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 101582121 ZJFPRBGVMNPBBS-GZXFCSGKSA-N 350.418 2.295 0 40 FEAB Cc1cc(-c2nnn(Cc3cc(=O)n4c(C)csc4n3)n2)ccc1F 58183619 VLFDLTDEWZVOET-UHFFFAOYSA-N 356.386 2.214 0 40 FEAB NC(=O)C1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 57669508 YTHKIKDZTDQGLF-GOSISDBHSA-N 368.485 2.465 0 40 FEAB CN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)Nc1ccccc1 58166028 ZKAIPRJLGSOSGW-UHFFFAOYSA-N 354.410 2.078 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](CCc1ccccc1)c1ccccc1 58208770 OOBYMGPYYBQPIA-SFHVURJKSA-N 363.417 2.027 0 40 FEAB COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCC1)N(C)CC3)OCO2 2130557 HVLXXZUBUPSSFW-HNNXBMFYSA-N 357.414 2.103 0 40 FEAB biogenic Cc1cc2n(n1)C[C@@H](CN[C@H](CN1CCCC1=O)c1ccccc1)CN2 58366712 NOFQHEGZAAUORR-FUHWJXTLSA-N 353.470 2.187 0 40 FEAB CNC(=O)CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 36394024 ICYXRKKNWVTMAG-UHFFFAOYSA-N 361.449 2.165 0 40 FEAB Cc1cnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc1 36390929 QXECVPXKXLHBQT-UHFFFAOYSA-N 370.356 2.049 0 40 FEAB CS(=O)(=O)c1nc(C(=O)NCC2(c3ccccc3)CC2)c2ccccn12 48310115 YOZHHBUEACQFIN-UHFFFAOYSA-N 369.446 2.199 0 40 FEAB Cc1cnc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cn1 48358745 IMMHWZBPWWCOTM-IYBDPMFKSA-N 354.454 2.324 0 40 FEAB COC(Cn1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O)OC 13207168 LIFVNADGXQMFOR-UHFFFAOYSA-N 359.382 2.008 0 40 FEAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13513627 VFEQYQLPJXILSZ-UHFFFAOYSA-N 373.432 2.223 0 40 FEAB O=C(NC1CC(F)(F)C1)[C@H]1CN(Cc2ccsc2)Cc2cncn21 306132545 LLSMTICQUOTVMI-CQSZACIVSA-N 352.410 2.415 0 40 FEAB COCCCn1c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 5304310 BQGBLIPRVHISKO-UHFFFAOYSA-N 356.426 2.132 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 6460043 KRQUNSDXDPQRFA-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB C[C@H](Sc1nncn1Cc1ccco1)C(=O)NC(=O)NC1CCCC1 14108448 IWHTUTDNWVTMHW-NSHDSACASA-N 363.443 2.168 0 40 FEAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 24051239 CMJHACWBGQVABF-UHFFFAOYSA-N 350.371 2.091 0 40 FEAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 4839613 HZRYTLBSPAGJIE-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(C(N)=O)cc1 9154739 BTHHTJDYWSREKJ-UHFFFAOYSA-N 373.478 2.206 0 40 FEAB COC(=O)[C@@H](Cc1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 95465969 YLMMWLVZIWKXRA-IBGZPJMESA-N 370.449 2.392 0 40 FEAB CS(=O)(=O)Cc1noc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 95460791 CVKUTAZQVWMYOQ-LLVKDONJSA-N 368.415 2.356 0 40 FEAB CCCCn1nc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)O)ccc1=O 95425399 XSUVURADPDFWPT-MRXNPFEDSA-N 371.437 2.025 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)[C@@H]2C1 408678588 FTDCJYFOKWQFQZ-YQQAZPJKSA-N 368.433 2.441 0 40 FEAB CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 73557660 PBTNFOWMUWUIDR-GOEBONIOSA-N 365.499 2.031 0 40 FEAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 75148533 HOZHIHNJDPFADW-CJNGLKHVSA-N 362.426 2.122 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 408924561 JXVGTQOSTIBMMA-LBPRGKRZSA-N 362.407 2.209 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 25109673 UNPKOQWNAKZDCI-AWEZNQCLSA-N 368.499 2.276 0 40 FEAB Cc1cccc(CN[C@H]2CCOC[C@]23CC(C(=O)N2CCCCC2)=NO3)c1 306142668 XFWFXUMUMGJSBN-PZJWPPBQSA-N 371.481 2.401 0 40 FEAB CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccc(F)cc1 408891464 QYUARUMCBAJHBD-UHFFFAOYSA-N 351.403 2.084 0 40 FEAB CN1C(=O)CC[C@H](NCc2ccc(C(F)(F)F)o2)[C@H]1c1ccnn1C 1550424826 QVMLMEFXBGMTBP-NHYWBVRUSA-N 356.348 2.484 0 40 FEAB Cc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccc(F)cc3)cnn12 38829603 YJRMVHMTSOKKOW-UHFFFAOYSA-N 353.401 2.231 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc(C(=O)O)cc1 548197442 ZHHBQHRNEXQIGY-UHFFFAOYSA-N 365.455 2.300 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 306124264 BKYRUQMBZKQUDK-KBAYOESNSA-N 357.479 2.328 0 40 FEAB Clc1cccc(N2CCN(Cc3nnn(Cc4ccco4)n3)CC2)c1 35314908 YWZBCZCHRZIKEI-UHFFFAOYSA-N 358.833 2.290 0 40 FEAB Cc1cccc(Nc2cnc([C@H]3CCCN(CC(=O)N(C)C)C3)cn2)n1 72362452 GVINKMVZVAOHND-HNNXBMFYSA-N 354.458 2.191 0 40 FEAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3cccnc3)CC2)C1 72394337 SKLBRPXWGGJBKN-UHFFFAOYSA-N 365.433 2.498 0 40 FEAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccco1 75161889 IRLIICRUERGZES-UHFFFAOYSA-N 350.382 2.044 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n(C[C@H](NC(=O)C2CCC2)C(C)C)n1 72324935 GFANAGWZQXOCKG-KRWDZBQOSA-N 371.485 2.202 0 40 FEAB O=C(c1cnn2c1OCCC2)N1CCN(C/C=C/c2ccccc2)CC1 85555357 BLQRJWAZHKMCGF-XBXARRHUSA-N 352.438 2.137 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCc2ccc(OC)cc2)c1 223869415 LXPAWDJGZDHJCR-UHFFFAOYSA-N 363.435 2.311 0 40 FEAB COc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1 40067705 PBOWWZYTGOCALC-INIZCTEOSA-N 374.485 2.246 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 225399123 OPVPAIYYGSCMDF-OAHLLOKOSA-N 365.437 2.246 0 40 FEAB CN1Cc2ccccc2CC2(CCN(C(=O)c3cccn3C)CC2)C1=O 96161308 JNOJHBGAAJLDCD-UHFFFAOYSA-N 351.450 2.462 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249753 FUEISBBRWLLRCW-SJLPKXTDSA-N 352.438 2.153 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21 96052519 TVYFZDNMVMHASM-UHFFFAOYSA-N 365.433 2.249 0 40 FEAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)c1ccnnc1)CC2 96199658 BZNQCLBAKPJTKK-KRWDZBQOSA-N 350.422 2.097 0 40 FEAB O=S(=O)(C1CC1)N1CCC[C@@]2(COCCN(c3ccccc3)C2)C1 96228967 JAWIWGMTTNGFRS-SFHVURJKSA-N 350.484 2.098 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n1 257317336 VJIWSFAEUJYXHS-CQSZACIVSA-N 351.765 2.497 0 40 FEAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)c3cncs3)CC2)s1 257278114 OAVCMKLCGBHOJO-UHFFFAOYSA-N 364.496 2.495 0 40 FEAB CCCn1nccc1-c1cc(C)nc(C2CCN(S(C)(=O)=O)CC2)n1 257262692 LMLPUZAHNABKCX-UHFFFAOYSA-N 363.487 2.198 0 40 FEAB Cc1nn(C)cc1CCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1117682645 MNBZJXCBGBPODG-FQEVSTJZSA-N 359.445 2.254 0 40 FEAB Cc1noc(C)c1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644325931 CIVHLJMSMQOTQK-FQEVSTJZSA-N 357.454 2.325 0 40 FEAB CN(Cc1ccc2oc(=O)n(C)c2c1)Cc1nc(O)c2sccc2n1 1169136520 NTQAURUDOGLXTR-UHFFFAOYSA-N 356.407 2.474 0 40 FEAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cc(Cl)c(C)cc1Cl 666422901 SIFLYICRWFIUJO-NWDGAFQWSA-N 367.254 2.235 0 40 FEAB CN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)CCCNC2=O 678028137 LYLLPYZYXSYIKA-SFHVURJKSA-N 354.450 2.234 0 40 FEAB Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)c1 684503527 RUJAINIGFYGTNO-GOSISDBHSA-N 353.466 2.350 0 40 FEAB CCn1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)c(C2CC2)n1 585276807 QPIBZZZIWQBDOY-FQEVSTJZSA-N 355.438 2.436 0 40 FEAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1cccc(F)c1)CC2 585111016 REVRZBIUSFTVDV-UHFFFAOYSA-N 355.413 2.466 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 585102093 QXYIJUDCGMZJBW-QUCCMNQESA-N 352.438 2.380 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cc(C)cc(C)c3)C2)OC1 585105366 VFBSWORHAFXDDF-KRWDZBQOSA-N 366.527 2.224 0 40 FEAB CC(=O)N[C@@H](C(=O)N1CCN(CCc2cccs2)CC1)C1CCCC1 56302483 ZNTGYVWXALFADH-GOSISDBHSA-N 363.527 2.130 0 40 FEAB O=C(CC1CCOCC1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160921 UQKWJQMEMHWAFU-OAQYLSRUSA-N 372.465 2.228 0 40 FEAB CCOc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 5287406 JABXYEIMKYMRBS-UHFFFAOYSA-N 369.373 2.304 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084961 RONCRAWFQHEXAS-CQSZACIVSA-N 369.450 2.472 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4C[C@H](C)C[C@@H](C)C4)nc3c2c1C 12181252 VDYPDQPRHKGUOF-GHMZBOCLSA-N 373.482 2.227 0 40 FEAB COc1ccccc1C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 12183891 LGDIVRGWYDGVEW-UHFFFAOYSA-N 364.405 2.277 0 40 FEAB Cc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199451 FFYXESIVHACPFP-UHFFFAOYSA-N 358.419 2.127 0 40 FEAB Cc1nn2c(NC(=O)CSc3nc4ccccc4[nH]3)csc2nc1=O 12323658 UYEQFBVTGIKHIT-UHFFFAOYSA-N 372.435 2.067 0 40 FEAB CS(=O)(=O)c1ccc(N2CCc3sccc3C2)c(S(C)(=O)=O)c1 14324639 ZATAJOQXSGXNGU-UHFFFAOYSA-N 371.505 2.118 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19590617 GAYNDASTRHOXAW-INIZCTEOSA-N 366.465 2.032 0 40 FEAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)N1CCOCC1 19752931 WYDBDVAWKHPIRG-KRWDZBQOSA-N 372.469 2.111 0 40 FEAB CC[C@@H]1COCCN1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 163922116 NYIFFCQPCPVUON-GOSISDBHSA-N 359.470 2.359 0 40 FEAB CCOc1cc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc(C)n1 12223685 IMHAJKWXNNGWLI-UHFFFAOYSA-N 370.453 2.084 0 40 FEAB C[C@H](NC(=O)NC[C@H]1CCOC1(C)C)c1ncc(Br)cn1 661233925 CIKYBGOFMGVONO-VHSXEESVSA-N 357.252 2.414 0 40 FEAB COc1cnc(OC2CCN(c3nc(C)nc4cnccc34)CC2)nc1 1889149074 SRGBTVAOEJZLCD-UHFFFAOYSA-N 352.398 2.180 0 40 FEAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cn1 1565553741 DAFGIMZEZMMGLX-PMACEKPBSA-N 366.465 2.155 0 40 FEAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)N1CCCCC1 4376981 OCZRQWYEGHFQBC-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB CCN1CCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373246 QMGKANATMRUCEC-AEFFLSMTSA-N 358.486 2.192 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)no1 9573937 KFTIYVPCBUZBFF-UHFFFAOYSA-N 356.411 2.457 0 40 FEAB O=C(Cc1cccs1)NCCn1ncc2c(N3CCCCC3)ncnc21 11666029 XUQJKATWSYMMJD-UHFFFAOYSA-N 370.482 2.237 0 40 FEAB O=C(C1=CCCC1)N1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713265 QHKYBIAYBNYZPJ-UHFFFAOYSA-N 368.437 2.221 0 40 FEAB CO[C@@H]1CCN(S(=O)(=O)c2sccc2C)[C@H]1Cc1cccnc1 2055725633 OMUPOCFLWPVNAP-LSDHHAIUSA-N 352.481 2.472 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)c1 2055750902 KNLMXYANJDQIFD-CVEARBPZSA-N 361.467 2.387 0 40 FEAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127672 GPFYQEHVFHYSNU-UHFFFAOYSA-N 364.467 2.479 0 40 FEAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccc(F)cc1F 35423752 RQZCXDCSURXJMJ-UHFFFAOYSA-N 368.343 2.472 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 40090542 GTGZIXDXMFUTRT-GASCZTMLSA-N 362.445 2.243 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1SCc1ccco1 40013078 QPALNCFRABNTHT-GFCCVEGCSA-N 351.449 2.489 0 40 FEAB COc1ccc(OCCC(=O)Oc2ccc(NS(C)(=O)=O)cc2)cc1 40156552 ANOMRTOJOCGFNV-UHFFFAOYSA-N 365.407 2.441 0 40 FEAB CC(C)(C)NC(=O)c1ccc(NC(=O)CNC(=O)NCc2ccco2)cc1 40157226 IUNIWCKNZSBNFI-UHFFFAOYSA-N 372.425 2.246 0 40 FEAB Cc1nc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)s1 40157607 PIUXNVMVZIJNKN-VIFPVBQESA-N 369.468 2.285 0 40 FEAB O=c1c2ccccc2cnn1Cc1nnc(S)n1[C@H]1C[C@H]2C=C[C@H]1C2 100189563 VJLNIPBZTXRVDF-HUBLWGQQSA-N 351.435 2.462 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646833 AXTKAGPZCJURIB-CEJCXVNZSA-N 363.797 2.328 0 40 FEAB CCOc1ccc(-c2nnn(CC(=O)NC(C)(C)CC)n2)cc1OCC 1223099 MLBIYPDNIISYKW-UHFFFAOYSA-N 361.446 2.442 0 40 FEAB CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCC3)nnc12 1331740 UTYCDUAIUSUVAJ-UHFFFAOYSA-N 371.466 2.215 0 40 FEAB CC(C)c1nnc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)s1 4999516 QPRDJBJGMKMTSQ-UHFFFAOYSA-N 365.484 2.354 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(CC)CC)cc2C1=O 7738050 FYVGKTZVXOSTCV-UHFFFAOYSA-N 360.410 2.108 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1Cl 101916662 ATMIGLNSUKCAAX-CPCNMJHFSA-N 356.809 2.332 0 40 FEAB CCN1CCC(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC1 57323102 GDDVZVUDTGYNSR-UHFFFAOYSA-N 364.921 2.063 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 41611886 QOCKQORHAWRSHY-HNNXBMFYSA-N 360.410 2.306 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1=O 47194852 CPPGLAXOHLLDQR-UHFFFAOYSA-N 351.362 2.165 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)c1ccc(C)cc12 107195461 HNCBEYPOUBCQGS-IBGZPJMESA-N 358.482 2.279 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)Nc3nccs3)cc12 12391029 TXPJZWKRMDRZHV-UHFFFAOYSA-N 360.395 2.010 0 40 FEAB COc1ccc(-n2nnc(C(=O)NC[C@@H](C)c3ccccc3)c2N)cc1 9486262 SCANIBBGZLKGGL-CYBMUJFWSA-N 351.410 2.392 0 40 FEAB COc1ccc(Cl)cc1CC(=O)NCc1nnc2nc(C)cc(C)n12 9503864 CLXOAVMYUGIDSB-UHFFFAOYSA-N 359.817 2.262 0 40 FEAB O=c1/c(=C\c2cccnc2)sc2nc(/C=C/c3ccc(F)cc3)nn12 33789068 BEAATZVUGGEPEA-GQPSQLHCSA-N 350.378 2.403 0 40 FEAB CC(=O)N1CCC(CNC(=O)NCc2ccc(CN3CCCC3)cc2)CC1 105091421 YSFPYNQODRWBRH-UHFFFAOYSA-N 372.513 2.340 0 40 FEAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCC[C@@H]2C1 28233229 IPBOJQONJZSNJI-CYBMUJFWSA-N 356.392 2.476 0 40 FEAB COc1ccc(CC[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 58192945 XKHLWNGDAAJLPZ-LBPRGKRZSA-N 351.472 2.345 0 40 FEAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(c2cnccn2)CC1 25344179 DJPLLBFGEWKOEM-UHFFFAOYSA-N 355.423 2.084 0 40 FEAB CCn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 100120988 HCTSJTLEYDVTJJ-VQIMIIECSA-N 368.485 2.100 0 40 FEAB Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCO2)n1 110904175 NQSIIQOEIWHADO-AWEZNQCLSA-N 368.359 2.455 0 40 FEAB O=C(CNC(=O)NC1CCCCC1)NCc1ccc(-c2ccn[nH]2)cc1 58276322 RLOBGXUXWYUSHO-UHFFFAOYSA-N 355.442 2.325 0 40 FEAB O=C(Nc1ccsc1C(=O)NCCc1ccccn1)c1cnccn1 67335633 XFRPCPTUVAMEHK-UHFFFAOYSA-N 353.407 2.158 0 40 FEAB CCCn1cc(NS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)ccc1=O 48324461 UUHPFQSPBWCCAY-UHFFFAOYSA-N 364.423 2.374 0 40 FEAB CCOc1cc(C(=O)NCC(=O)N2CCCC2)cc(OCC)c1OCC 12852631 RLJUCKRJMWWMDQ-UHFFFAOYSA-N 364.442 2.235 0 40 FEAB CCCCNC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 13010866 YQVSTVYLUWUVLL-UHFFFAOYSA-N 360.454 2.269 0 40 FEAB CC(C)CCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859233 WQXORFWHHAMLAN-HNNXBMFYSA-N 374.890 2.419 0 40 FEAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 5487868 VLYYSGILMQIMKL-HNNXBMFYSA-N 355.442 2.259 0 40 FEAB Cn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1C(F)(F)F 6505097 DYFGLZJVOFJROB-UHFFFAOYSA-N 362.352 2.424 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 6678991 YFJLSXZYLLKJAC-UHFFFAOYSA-N 371.418 2.086 0 40 FEAB COc1ccc(C)cc1CCNC(=O)CCc1c(C)nc2ncnn2c1C 6987109 ULPHGLAUKGFLMX-UHFFFAOYSA-N 367.453 2.350 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 8768283 LNMJUJIHHTZGEB-VGGFTTENSA-N 361.486 2.428 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1 80908145 WGOPOHCNAYFURR-GOSISDBHSA-N 354.454 2.118 0 40 FEAB COc1ccccc1Nc1nc(N)nc(CSCC(=O)N2CCCC2)n1 9117773 VUQMVAHSASTVNQ-UHFFFAOYSA-N 374.470 2.062 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3ccc(C)o3)[nH]c(=O)c2c1C 9314130 QUUCJKULBRODIN-UHFFFAOYSA-N 362.363 2.338 0 40 FEAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241675 VACMKVYGCNDYFS-IRXDYDNUSA-N 362.426 2.444 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@H]2C[C@H]2C1 408499735 MMKYGKUKVCMCJM-AEJSXWLSSA-N 359.245 2.085 0 40 FEAB C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccc(CN2CCCCC2=O)c1 84070065 WKZHJMJCVCSERX-CQSZACIVSA-N 357.454 2.442 0 40 FEAB Cc1cc(I)cc2sc(NNC(N)=S)nc12 22125057 RMKMZDFSPBZVAJ-UHFFFAOYSA-N 364.237 2.369 0 40 FEAB Cn1c(C(=O)NCCNC(=O)Cc2ccc(F)cc2)cc2ccccc21 32095111 UONFEYLJPJUNOP-UHFFFAOYSA-N 353.397 2.406 0 40 FEAB CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 39985754 DLJXLWGIVLWYRE-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB COc1cc(NS(=O)(=O)N2CCCC2)ccc1NC(=O)c1ccco1 30952859 JPZAIHDJKNUULT-UHFFFAOYSA-N 365.411 2.293 0 40 FEAB CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(S(N)(=O)=O)cn2)o1 331972539 RKPZPBDVPMEXJD-OAHLLOKOSA-N 363.439 2.252 0 40 FEAB Cc1nc([C@H](C)NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cs1 332186091 SQZZWUHLSMQSBS-VIFPVBQESA-N 351.457 2.081 0 40 FEAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@H](COCC(C)C)C1 96044858 ZFMAJMGEVBMTEX-HNNXBMFYSA-N 359.474 2.357 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)c1 248009797 ILFNLDBJVHCIGD-PKOBYXMFSA-N 371.462 2.429 0 40 FEAB Nc1cnc(C[C@@H]2CCCN(C(=O)COc3ccccc3F)CC2)cn1 257312513 UOHZXIJOWFYOLB-CQSZACIVSA-N 358.417 2.448 0 40 FEAB CN1CCC(N2CC[C@H](NC(=O)c3ccc(-c4csnn4)cc3)C2)CC1 625518875 DZOYSZKIANOVLE-INIZCTEOSA-N 371.510 2.103 0 40 FEAB Cn1ncc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)c1Cc1ccccc1 1645526767 LRIIKAARYNFENM-SFHVURJKSA-N 367.424 2.483 0 40 FEAB O=C(N=c1cc[nH]cc1Br)N[C@@H]1CCO[C@H]1c1ccncc1 626468661 QQQQPMNUUSDTKY-KGLIPLIRSA-N 363.215 2.313 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc(OC(F)(F)F)cc1 644073252 NOPIIGHBKMKMSS-YUELXQCFSA-N 358.360 2.303 0 40 FEAB COC[C@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)[C@@H]1CCCO1 668302975 VVVSFWSFQOHRPC-STQMWFEESA-N 372.215 2.071 0 40 FEAB O=C(NCc1csc2ncnn12)[C@@H]1CCCN1c1nc2ccccc2o1 96122598 FUPRPDZJDBSGAJ-ZDUSSCGKSA-N 368.422 2.217 0 40 FEAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575421416 IAMDXGOVXXPUHC-HNNXBMFYSA-N 359.513 2.200 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 575406356 NLSMPGYNRCDEQB-CQSZACIVSA-N 361.471 2.089 0 40 FEAB O=C1CCCC[C@@H]2[C@H](CCN2[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)N1 585288515 CUCVWORSQSHWHE-NJYSJTHYSA-N 358.482 2.481 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccccc3F)CC2)C1 585103864 SKTBPRIWOYXQGR-INIZCTEOSA-N 364.461 2.273 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2nncs2)CC1 828140701 COOWXSWTNNRBBA-UHFFFAOYSA-N 357.391 2.328 0 40 FEAB Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)N2CCNC2=O)ccc1F 56154870 MCGBUYLHYQMNNJ-JTQLQIEISA-N 374.372 2.332 0 40 FEAB CCOC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 53239143 WIDZVRLSJFVYQO-SNVBAGLBSA-N 356.216 2.480 0 40 FEAB Cc1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1 585188745 NUMVVJNYGHFJQP-AWEZNQCLSA-N 359.451 2.292 0 40 FEAB O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158349 MEDOTZZWTMNQAA-LJQANCHMSA-N 358.369 2.457 0 40 FEAB O=C1NC(=S)S/C1=C\c1ccc(OCCO)cc1Br 11286601 BWRQNTNYVHEPGS-YHYXMXQVSA-N 360.254 2.309 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)n1 12229534 JGQUBRMIRPMLNT-INIZCTEOSA-N 368.462 2.417 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)c1 12258420 QZWLFGUVFIGOJQ-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H](c3cc(O)nc(C)n3)C2)cc1OC 12337885 AMQQCFUOXJTIOB-AWEZNQCLSA-N 357.410 2.066 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 14236290 DQWRRENMNQTTBM-SNVBAGLBSA-N 359.407 2.144 0 40 FEAB OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)o1 15674916 CMTLKPFJQINTHV-CJNGLKHVSA-N 359.357 2.269 0 40 FEAB biogenic,in-vitro CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)ncc2C1 19018657 PTPLSSMKIAZFAL-INIZCTEOSA-N 356.470 2.277 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(CC3=CCCCC3)C2)c2nccnc21 19021538 AOHDXAWPCLRKCS-KRWDZBQOSA-N 368.485 2.252 0 40 FEAB O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CN(CC2CC2)CCO1 19700894 IVTDRPZSWKPBGE-QFIPXVFZSA-N 365.477 2.422 0 40 FEAB O=C(CN1CCC(N2CCCC2)CC1)Nc1ccccc1N1CCOCC1 19715434 IAMFXGUHFBCURP-UHFFFAOYSA-N 372.513 2.022 0 40 FEAB Cc1cc(N2CCN(c3ncc(Cl)cn3)CC2)nc(N2CCCC2)n1 1888842964 UWEBXPFHHFUMKR-UHFFFAOYSA-N 359.865 2.155 0 40 FEAB CCc1nc(N2C[C@@H]3CN(Cc4c(C)noc4C)C[C@H]3C2)nc(O)c1F 1888859286 ILKDWMUAFBAWKW-STQMWFEESA-N 361.421 2.057 0 40 FEAB O=C(NC1CCOCC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008951 SXLCMKSKPUEBCS-UHFFFAOYSA-N 374.363 2.227 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 4173589 JPUFBYQNQKVOGO-OXJKWZBOSA-N 373.714 2.164 0 40 FEAB Cc1ccc(N2C[C@@H](NS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 5221884 IHDOXBKXPSKWMQ-ZDUSSCGKSA-N 366.389 2.357 0 40 FEAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422756 KFOAOGRLOYEMAJ-UHFFFAOYSA-N 371.347 2.283 0 40 FEAB c1nc(N2CCOCC2)nc2c1COC[C@]21CCN(CC2CCCCC2)C1 2055796121 YHBWZVCDBSYVAQ-OAQYLSRUSA-N 372.513 2.367 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cccnc2OC)C1 2055750877 HTVWNGVEUODFGW-IBGZPJMESA-N 358.417 2.032 0 40 FEAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccc(F)c(F)c2)CC1 2055772328 XFILHHUIGBHFLC-UHFFFAOYSA-N 360.408 2.385 0 40 FEAB CN1C[C@H]2C3(CCN(c4ncccn4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796061 QYKJVDRWHAEWKU-LAUBAEHRSA-N 369.513 2.027 0 40 FEAB O=C(NCCc1ccncc1)C1CCN(C(=O)NCc2cccs2)CC1 42384890 BIIQSIMUKBREFY-UHFFFAOYSA-N 372.494 2.424 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)NC2CCN(c3cnsn3)CC2)cc1 585148893 LCVRYNFHDSCVFQ-DHZHZOJOSA-N 364.496 2.406 0 40 FEAB CN1CCc2cc([C@H](O)CNC(=O)c3ccc(Br)o3)ccc21 96362384 GOYNUEVYYYZOSO-CYBMUJFWSA-N 365.227 2.498 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40005741 GIEFWYMBMGUSCZ-LLVKDONJSA-N 351.346 2.436 0 40 FEAB O=C1CCC(C(=O)N(C[C@H]2CCOC2)C2CC2)=NN1Cc1ccccc1 40121262 DOXAEZABGOFBAG-MRXNPFEDSA-N 355.438 2.193 0 40 FEAB COC(=O)C1=C(C)Nc2nc(C(=O)OC)nn2[C@@H]1c1ccc(Cl)cc1 20413005 YLCUOOWFLAULPL-GFCCVEGCSA-N 362.773 2.180 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)c2ccccc2C)CC1 4888606 JYDKFXBBXPICDN-UHFFFAOYSA-N 363.527 2.490 0 40 FEAB CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(F)cc2)CC1 22465874 HYIJNLYJEQLVAK-UHFFFAOYSA-N 371.412 2.231 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC1(c2ccccc2)CCC1 54719505 MFVDITSBACGYAP-IRXDYDNUSA-N 354.450 2.400 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CC1 12532098 SSCOAKYCIOPAOI-UHFFFAOYSA-N 362.437 2.476 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 58231308 VSJRQGRBYWYPCC-RYTJFDOTSA-N 362.495 2.392 0 40 FEAB O=C(COC(=O)c1ccc2ccccc2n1)NCc1ccc2c(c1)OCO2 3224834 DCOXMPJVQDOJCS-UHFFFAOYSA-N 364.357 2.437 0 40 FEAB CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)S(=O)(=O)c1ccccc1 106901191 CZHLKJRVOPJLMC-DOTOQJQBSA-N 350.484 2.488 0 40 FEAB O=C(COC(=O)/C=C/c1cccc(F)c1)NCc1ccc2c(c1)OCO2 3268398 JRVCLJXGJFSQEN-FNORWQNLSA-N 357.337 2.427 0 40 FEAB CN1C(=O)C(=O)N2c3ccc(Cl)cc3[C@]3(c4ccccc4)N=C[C@@]12O3 102965049 ARVGAFIPEMEJTK-QZTJIDSGSA-N 353.765 2.115 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 108349583 VXAOOLOLKMEYCY-MBNYWOFBSA-N 352.456 2.269 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)C[C@H]2CSc3nnc(N)n32)cc1 35670673 YDRAGDZXHPBBPI-LLVKDONJSA-N 352.485 2.279 0 40 FEAB O=C(Nc1ccc(Cl)cn1)C1CCN(c2ncnc3[nH]cnc23)CC1 58166003 NRICRWKXFCOTFW-UHFFFAOYSA-N 357.805 2.256 0 40 FEAB O=C(CCOCc1ccccc1)NC1CCN(C(=O)c2ccncc2)CC1 58282112 JFTXZESHBDLMKK-UHFFFAOYSA-N 367.449 2.409 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1 10795693 QMRSBQOMDCCXKB-UHFFFAOYSA-N 358.375 2.346 0 40 FEAB C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)N1CCc2ccccc21 3385253 NCOBKQRLVOENDN-GFCCVEGCSA-N 366.450 2.124 0 40 FEAB O=C(Nc1ccc(F)cc1F)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 76639476 KYDQFCXIOAKMNJ-CQSZACIVSA-N 351.397 2.284 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O 3454467 YPVWQDYEQWHJTH-UHFFFAOYSA-N 372.208 2.379 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C(=O)C2CC2)CC1 12903722 ZFZMBESYHVVUQD-UHFFFAOYSA-N 352.438 2.184 0 40 FEAB O=C(CNC(=O)c1ccccc1F)Nc1cccc(C(=O)NC2CC2)c1 12999953 LJULPSLLKOSIDI-UHFFFAOYSA-N 355.369 2.086 0 40 FEAB O=C(O)c1ccc(-n2ncc(NC3CCC(O)CC3)c(Cl)c2=O)cc1 13036451 CURXLRZFOGMZQP-UHFFFAOYSA-N 363.801 2.300 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 4070119 JEGKWXNFOFBMMS-HNNXBMFYSA-N 364.398 2.246 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4085328 KFPISKGRZHKJSV-WOSRLPQWSA-N 362.451 2.260 0 40 FEAB biogenic O=C(NCCc1ccco1)C1CCN(S(=O)(=O)c2ccccc2)CC1 8734598 AKZQJKCMAWPBQI-UHFFFAOYSA-N 362.451 2.039 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 5212060 BEJMMMARQDFNPG-GXFFZTMASA-N 350.415 2.270 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)c2nccn2C)ccc1Cl 6488874 SVEUMJWMWTWZOU-UHFFFAOYSA-N 355.847 2.335 0 40 FEAB COc1ccccc1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 8619471 HNCZXLVXCDWQSO-UHFFFAOYSA-N 360.435 2.165 0 40 FEAB Cc1cccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c1 6848999 LZHUZRZAAJBEIH-UHFFFAOYSA-N 374.462 2.457 0 40 FEAB CSc1nc2nc(C)c(CC(=O)NCCOc3ccccc3)c(C)n2n1 8884590 CVSZXGZLZLQWCK-UHFFFAOYSA-N 371.466 2.201 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-n2cncn2)cc1 7279308 DULIZPHPVZHBED-AWEZNQCLSA-N 362.389 2.402 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2Cl)c2ccccc2O1 7252837 QZLJOQOBMWESAR-INIZCTEOSA-N 359.813 2.292 0 40 FEAB CCc1nnc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)s1 7347858 MVHIYOIYBDNKQP-UHFFFAOYSA-N 374.447 2.401 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 7755658 BDPZDHZQYCSDQS-UHFFFAOYSA-N 363.439 2.331 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C1=NN=C(NC[C@H]2CCCO2)SC1 7849088 HVDNWZRIXGDSPG-GFCCVEGCSA-N 364.471 2.384 0 40 FEAB Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1C 408045436 ZTOINYIBXIPENG-CQSZACIVSA-N 353.419 2.236 0 40 FEAB C[C@@H](C(=O)O)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 95970092 FOVDDRRLYBLYSW-JTQLQIEISA-N 368.436 2.094 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 27399275 ALFQRFUSPQLBNV-UHFFFAOYSA-N 356.350 2.117 0 40 FEAB CN(C[C@@H]1CCCN(C(=O)CSc2ccc(F)cc2)C1)S(C)(=O)=O 552606724 FPPJIXXUJHJGOG-ZDUSSCGKSA-N 374.503 2.048 0 40 FEAB CC(C)(C)OC(=O)N1CCOC[C@@]2(Cc3ncc(Br)n3C2)C1 503852601 IBYNDGWDQJMJKX-HNNXBMFYSA-N 372.263 2.455 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 35897761 DNEIWPBFXZVYKF-WCIQWLHISA-N 368.477 2.286 0 40 FEAB C[C@H]1Cc2cc([C@@H](O)CN3CCC[C@@H](C)C3)ccc2N1S(C)(=O)=O 36740053 QKHKWMJAMUKHBI-GLJUWKHASA-N 352.500 2.163 0 40 FEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217534113 FIDYSJSVZWZWBE-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB CCOc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)OC)C1=O)OCO2 33313456 MPQIQZTWTKPCJE-ACAGNQJTSA-N 365.363 2.023 0 40 FEAB O=C(c1ccc(Cl)s1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099644 XENCDODVUWTECV-UHFFFAOYSA-N 362.798 2.379 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222746357 GRPOIEDVGOIFOH-CQSZACIVSA-N 354.406 2.469 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2ccccc2)cc1 224196307 QEHOFVKVANCIRG-MDWZMJQESA-N 374.462 2.145 0 40 FEAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)C2 225521864 TVMKVINHCUYGFQ-GXTWGEPZSA-N 372.856 2.398 0 40 FEAB O=C(c1cnccn1)N1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 96047314 ITBYEQKMHMSXBD-UHFFFAOYSA-N 354.410 2.228 0 40 FEAB O=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2cccnc2)C1 96160941 STVHKMMQUZZHSV-VQIMIIECSA-N 357.410 2.298 0 40 FEAB COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(C)cc(=O)c1O 96115216 XJIDTRUECDHDRN-LLVKDONJSA-N 364.350 2.072 0 40 FEAB biogenic Cn1cc(CN2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cn1 96240420 ILWYDAACRFFTRI-OXQOHEQNSA-N 374.460 2.279 0 40 FEAB O=C(c1cccnc1)N1CCc2nc(C(=O)N3CCCC3)sc2CC1 96147033 DUQKPDFOPWJXCR-UHFFFAOYSA-N 356.451 2.015 0 40 FEAB COc1cc(=O)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 96184145 KBVXQFUHRUOPFH-HUUCEWRRSA-N 355.438 2.423 0 40 FEAB CN1CCC(CCO)(NCc2cnc3ccc(Br)cn23)CC1 332364155 XCRYTJLDBTULKG-UHFFFAOYSA-N 367.291 2.033 0 40 FEAB CN(Cc1ccccn1)[C@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 96158701 QQQSPFLMZCIYJG-QGZVFWFLSA-N 357.433 2.271 0 40 FEAB COc1ccccc1CC1(O)CCN(C(=O)N[C@H](C)c2noc(C)n2)CC1 585083161 MLUZOCGOOIXPCI-CYBMUJFWSA-N 374.441 2.227 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3c(C)nc4ccccn34)C2)c1F 253472027 HXDFVPCPJQTMCP-CYBMUJFWSA-N 369.400 2.428 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 251983973 GSPRBJMDKAAGSA-INIZCTEOSA-N 357.458 2.351 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2nc3ccccc3[nH]2)[C@H]1O 257240967 HVZQHTJSKVFYTB-MBOZVWFJSA-N 367.453 2.223 0 40 FEAB COc1ccccc1[C@@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 638473262 IZOXNPBMYPEYPI-QGZVFWFLSA-N 354.454 2.367 0 40 FEAB COC[C@]1(C(N)=O)CCCN1Cc1cc(-c2ccncc2)ccc1OC 643763840 JHLCXWCMEMHTEE-FQEVSTJZSA-N 355.438 2.224 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cn2ccc(C3CC3)n2)C1 585276827 RBAXZCGQMHRZQT-HXUWFJFHSA-N 355.438 2.111 0 40 FEAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(OC(F)(F)F)cc1 585150153 DNBLZLULJDPNBG-UHFFFAOYSA-N 367.327 2.061 0 40 FEAB Cc1csc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 585094382 UOABSDXCSZVMDX-CQSZACIVSA-N 358.529 2.320 0 40 FEAB Cc1cccc2c(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)coc12 685941841 HXMBZXWEXOCHKS-WOSRLPQWSA-N 354.410 2.154 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)Cc2csc(N3CCNC3=O)n2)c1 55602507 QTLZYZGWGYZCCT-UHFFFAOYSA-N 374.466 2.027 0 40 FEAB Cc1nc(C2(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CCCCC2)no1 55333855 DSVWPBBIHCUQHS-UHFFFAOYSA-N 368.393 2.193 0 40 FEAB Cc1nc2ccccc2c(=O)n1CCCC(=O)NC1(C(=O)O)CCCCC1 71802760 HUMAUFQIEQRHRB-UHFFFAOYSA-N 371.437 2.389 0 40 FEAB Cc1cnc(C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cn1 11481046 SJMRYJSTBQWZNN-UHFFFAOYSA-N 351.765 2.393 0 40 FEAB C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 17851072 RAJVXQCZSLICTH-JTQLQIEISA-N 370.377 2.426 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18176669 SICUIYHZPIUNSR-JKSUJKDBSA-N 365.433 2.307 0 40 FEAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccc(O)cc2)C1 19573223 VQHVOORITYVFQS-GFCCVEGCSA-N 353.469 2.027 0 40 FEAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)s1 10627614 KJNILJAZMHNMID-UHFFFAOYSA-N 361.395 2.037 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834346 KYQBWQJPYSXOBP-UPJWGTAASA-N 355.360 2.032 0 40 FEAB CC(=O)Nc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 30531371 ZVSRPZPSYFGRFY-MRXNPFEDSA-N 367.405 2.103 0 40 FEAB Cc1ccccc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 32680442 FLHGYEPBGSHMPZ-OAHLLOKOSA-N 350.422 2.292 0 40 FEAB Cc1cc(OCC2CCN(CC3CCS(=O)(=O)CC3)CC2)ccn1 1775995555 SOQDJZNVUKHCHV-UHFFFAOYSA-N 352.500 2.306 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CCc1ccc[nH]1)CC2 1565556093 WQHJDFDJDVHBQT-QGZVFWFLSA-N 361.486 2.071 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565544024 ASHNAHUOHVQNJT-UHFFFAOYSA-N 365.424 2.320 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CC1(OC)CCC1)CC2 1565554411 QLKPCCXOOUAXFM-MRXNPFEDSA-N 366.502 2.069 0 40 FEAB CCCNC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583930 KYUJFWZCQUBZTC-UHFFFAOYSA-N 356.422 2.103 0 40 FEAB Cc1cc(NC(=O)NCCCSc2nnnn2-c2ccccc2)no1 4941575 GCMWIKKMHWMMMR-UHFFFAOYSA-N 359.415 2.263 0 40 FEAB CCn1nnc2c(N3CCc4cc(OC)c(OC)cc4[C@@H]3C)ncnc21 5250447 ZAEYFAQIKWPNTN-NSHDSACASA-N 354.414 2.382 0 40 FEAB Cn1cccc1[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCCC1 11846913 QEKNXEHXBHWSNU-KRWDZBQOSA-N 351.447 2.280 0 40 FEAB CN(C)c1cccc(C(=O)NCC2(N3CCOCC3)CCSCC2)c1 1775976358 ZEFIOHCZQPGOBK-UHFFFAOYSA-N 363.527 2.080 0 40 FEAB CCc1nccn1CC1CN(c2ncc(Br)c(OC)n2)C1 2086860419 RMMNXLOUUHVISO-UHFFFAOYSA-N 352.236 2.143 0 40 FEAB CCOc1ncc(NS(=O)(=O)c2ccc(C)cc2C)c(N(C)C)n1 206730629 WYCAFINCOQYFJD-UHFFFAOYSA-N 350.444 2.359 0 40 FEAB CSc1ncccc1C(=O)N1CCC(CNC(=O)c2cc(C)on2)CC1 44001301 FKBIGPLMPHDTFJ-UHFFFAOYSA-N 374.466 2.382 0 40 FEAB COc1ccc(OC)c(/C=c2\sc3nnc(-c4ccccc4)n3c2=O)c1 20034899 HLDAESHOBKUPAT-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 40121534 BRPNBYLHPFLAAM-CYBMUJFWSA-N 363.483 2.111 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1csc2c1CCCC2 30583719 HFXVLZHPNDHBPO-GFCCVEGCSA-N 356.513 2.171 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)c1 31665623 GWEDYKKIMVMOSG-UHFFFAOYSA-N 364.379 2.158 0 40 FEAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(C(=O)O)cc1)CC(O)=N2 31819894 WJPMTRFWONSVSX-GFCCVEGCSA-N 365.349 2.498 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccccc4C)[C@H]3C2=O)cc1 101417950 GGLUTAQHHQEGLD-IAGOWNOFSA-N 350.378 2.497 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)c1cccc(S(C)(=O)=O)c1 11836052 YHNVUNREPUEHLH-UHFFFAOYSA-N 352.364 2.217 0 40 FEAB C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 29987195 SAUVAMJFSRFSGX-SWLSCSKDSA-N 360.433 2.316 0 40 FEAB COc1cc(C(=O)Nc2ncc3c(n2)CCCC3=O)cc(OC)c1OC 2155431 KWTHLUREMITXBT-UHFFFAOYSA-N 357.366 2.274 0 40 FEAB biogenic COc1ccc(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 32902810 MEHOGXGKDUYXDX-INIZCTEOSA-N 351.468 2.196 0 40 FEAB CCCCOC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 6650078 PSGDUOPQQYUXRG-YPKPFQOOSA-N 360.391 2.389 0 40 FEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 102614359 DNEIWPBFXZVYKF-ZGXWSNOMSA-N 368.477 2.286 0 40 FEAB Cc1ccccc1CS(=O)(=O)NCc1ccc(CN2CCOCC2)cc1 102823297 VIGWYIBXDJEMEX-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB COc1ccc(S(=O)(=O)NCC(C)C)cc1I 687827 KLCQZCFRKZONGZ-UHFFFAOYSA-N 369.224 2.234 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccccc2OC)CC1 8478390 ATNNJHFHQCOTTR-CQSZACIVSA-N 350.415 2.153 0 40 FEAB Cn1c(=O)c2sccc2n2c(CN3CCc4sccc4C3)nnc12 47279925 VSTIMBCXDLDKRX-UHFFFAOYSA-N 357.464 2.263 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)N2CCCCC2)CC1 24245288 OKXYRHQPCUDSMN-KRWDZBQOSA-N 370.497 2.188 0 40 FEAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C(F)(F)F)s2)cc1 1397852 WEKDAPRLLSPZLW-UHFFFAOYSA-N 365.358 2.278 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CC=CCC2)c(Br)o1 55329844 BXJUUUBKMYOWKG-QMMMGPOBSA-N 364.217 2.375 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1c(C)cccc1C 24953099 YAVUMPRYSJNBMW-UHFFFAOYSA-N 374.462 2.466 0 40 FEAB O=C1NC(=O)C2(CCN(C(=S)Nc3ccc4ccccc4c3)CC2)N1 44072337 LIZANQCEAYSLIN-UHFFFAOYSA-N 354.435 2.211 0 40 FEAB CSCC(=O)N1CCC[C@@]2(CC1)CCN(CC1CCOCC1)C2=O 108529527 IXUVDKXZBHEMDT-GOSISDBHSA-N 354.516 2.007 0 40 FEAB COC(=O)CCN(CC(=O)Nc1cc(OC)ccc1OC)CC(C)C 58194789 PBNKLJPFUXAKCR-UHFFFAOYSA-N 352.431 2.163 0 40 FEAB COc1cc(OC)c(/C=c2\sc3nc4ccccc4n3c2=O)c(OC)c1 105742550 DNLCTLWWZDSSHI-YVLHZVERSA-N 368.414 2.483 0 40 FEAB CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 57670380 AEGZEFHWBRJXEF-MOPGFXCFSA-N 370.501 2.371 0 40 FEAB Cc1nc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c(Cl)cc1Cl 3295645 ATWZKQIPLXYWNS-UHFFFAOYSA-N 356.165 2.126 0 40 FEAB Cn1ncc(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c1C(F)(F)F 79092958 DXJMWKFGTRJLRL-SECBINFHSA-N 358.286 2.082 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1 12606651 QCGGBQKWXRVUDP-UHFFFAOYSA-N 361.301 2.104 0 40 FEAB CNC(=O)c1nn(CCOc2cccc(Cl)c2)c(=O)c2ccccc12 48299854 GGTLMODBUWDPPI-UHFFFAOYSA-N 357.797 2.489 0 40 FEAB Cn1cc(C(=O)NC2CCN(C(=O)CCCc3ccccc3)CC2)cn1 48325972 NMWSJGBKJBFSQD-UHFFFAOYSA-N 354.454 2.164 0 40 FEAB COc1ccccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 12890774 KMGDWNTZAQCPGY-FQEVSTJZSA-N 365.389 2.243 0 40 FEAB COc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc(OC)c1 3451614 ZCOYZPKYUJHFTI-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB COc1cc(/C=C/C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc(OC)c1 62582617 COOYEJNNSYNSDY-IBDYFIJFSA-N 366.417 2.417 0 40 FEAB CC1(C)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O 12944753 RZSHWSXMRGNPII-UHFFFAOYSA-N 355.188 2.051 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(C(=O)NC2CC2)c1 12926438 BBLGUKKTQYLDBL-UHFFFAOYSA-N 373.359 2.226 0 40 FEAB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@H]23)C[C@@H](C)O1 20411631 AGRFRTKLCPEWTJ-FGPBBMPLSA-N 363.498 2.381 0 40 FEAB NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 79111245 TVRIOQIDUKCXIO-CQSZACIVSA-N 361.423 2.374 0 40 FEAB CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 306130070 IVTBRCKLRZXBBQ-VQTJNVASSA-N 360.454 2.108 0 40 FEAB Cc1cccc(OCCNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c1 18147468 XDURKRLWMFVGQL-UHFFFAOYSA-N 366.417 2.485 0 40 FEAB COC(=O)c1ccc(NCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 8726060 QSYWZLWADNZKOE-UHFFFAOYSA-N 371.412 2.373 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)C1=O 8778148 IUDVEVVISBRGCU-SFHVURJKSA-N 370.434 2.469 0 40 FEAB COc1ccccc1NC1=N[C@@H](c2cccnc2)n2c(nc(C)cc2=O)N1 5488377 YCYHVDMYGGMKNI-QGZVFWFLSA-N 362.393 2.396 0 40 FEAB CCOc1cc(CNCCNCCO)ccc1OCc1cccs1 22076371 AEMBKQDKIFSVOT-UHFFFAOYSA-N 350.484 2.397 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)CCn1cnc2sccc2c1=O 9386721 YSTIITFFXQRKKP-UHFFFAOYSA-N 355.485 2.052 0 40 FEAB O=C([C@H]1CCCN1Cc1c[nH]nc1-c1cccnc1)N1CCSCC1 92673161 ANVSBHHVFQOYSO-MRXNPFEDSA-N 357.483 2.012 0 40 FEAB Nc1nccnc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 14706676 YFUIHUBAJVIKIG-UHFFFAOYSA-N 351.332 2.040 0 40 FEAB O=C([C@H](Sc1nnc2ccccn12)c1ccccc1)N1CCOCC1 6843082 URAUMDBECWMZDN-MRXNPFEDSA-N 354.435 2.422 0 40 FEAB CCc1ccc(NC(=O)[C@H](CC)n2nnc(C(=O)OC)c2C(=O)OC)cc1 4969621 HTVPIMMBOMYQQV-ZDUSSCGKSA-N 374.397 2.004 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccc(Cl)cc1 9582374 YIIBLMDYLHNYPO-LLVKDONJSA-N 361.785 2.407 0 40 FEAB COc1ccc(-c2nc([C@H]3CN(c4nccc(OC)n4)CCO3)no2)cc1 95999718 ZJDVNDDNGZICLV-CQSZACIVSA-N 369.381 2.122 0 40 FEAB CC(C)CN1CC[C@@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@@H]2C1 306143454 YCRWBSLOEXSKHO-IAGOWNOFSA-N 360.502 2.060 0 40 FEAB CC(C)[C@@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2C[C@@H]1C 95948020 QDEHBUDTBRUUFS-BLLLJJGKSA-N 354.410 2.218 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC(c4ccccc4F)=NO3)ccc21 36752626 HJVANZGSCAAGKV-KRWDZBQOSA-N 368.368 2.148 0 40 FEAB O=C1Cc2ccc(CC(=O)N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)cc2N1 183873245 ZPBCXBWBCPGOBT-RDTXWAMCSA-N 372.371 2.336 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 43730613 GFOJAQICYFSWDZ-GORZOVPNSA-N 369.465 2.252 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCN2C=O)CC1 72216450 IMWHOHDKNARRFM-MRXNPFEDSA-N 360.458 2.432 0 40 FEAB COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 46469596 HHJHSEFFNCEKPL-LLVKDONJSA-N 352.387 2.140 0 40 FEAB Cc1ccc(C)c(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1 44241766 BNCWBRSYHFWJTP-UHFFFAOYSA-N 370.526 2.202 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 225411250 QKQMXAAKYLTKJJ-CQSZACIVSA-N 374.412 2.376 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2c(OC)cccc2OC)c2ccccc2O1 222956851 DAQDTVIPESSLNT-INIZCTEOSA-N 357.362 2.285 0 40 FEAB Cc1cccc(CN2C[C@H](c3noc(-c4ccc[nH]c4=O)n3)CC2=O)c1 44214046 BSSKRTOHAUJPMT-CQSZACIVSA-N 350.378 2.249 0 40 FEAB COc1cncc(O[C@@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)n1 225391744 AKOKJKWTGRZXDI-GFCCVEGCSA-N 356.407 2.388 0 40 FEAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2ccccc2C)s1 225638652 SYRQGRDIBLETBS-UHFFFAOYSA-N 373.481 2.054 0 40 FEAB CCS(=O)(=O)[C@](Cl)(I)C(=O)C(C)(C)C 96518296 ZUOUVUPYBCFLFZ-MRVPVSSYSA-N 352.621 2.364 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181371 OTORJVSCRFKQBZ-MJGOQNOKSA-N 372.465 2.316 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1 97987620 FDVKKFYQZDXHRM-XNTDXEJSSA-N 360.391 2.311 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2cccc(COC(C)C)c2)CC1 96182594 MCVFBYOVOWMTER-UHFFFAOYSA-N 370.471 2.074 0 40 FEAB COCCN1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 96228768 HQFIBFVYWDQXRZ-OAQYLSRUSA-N 371.481 2.369 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)s1 96051470 FEVUDBBPPKDKLE-LJQANCHMSA-N 373.478 2.086 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)cs1 247974711 UMEKHHDQCNMZSS-INIZCTEOSA-N 361.471 2.149 0 40 FEAB Fc1cnc(N2CC3(C[C@H](CCOCC4CCOCC4)CCO3)C2)nc1 247486914 AFCYXPHRDVCENN-OAHLLOKOSA-N 365.449 2.434 0 40 FEAB Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](OCc3cccnc3)C2)cs1 248025310 KFYSNGUCZWAWSW-INIZCTEOSA-N 369.450 2.284 0 40 FEAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C3CCC3)CCN21 253403864 QOFCWFOZADXGEI-KRWDZBQOSA-N 363.527 2.008 0 40 FEAB biogenic,in-vitro CC(C)N1C(=O)CO[C@H]2CCN(C(=O)C3CCC(F)(F)CC3)CC[C@@H]21 257203759 ARNMYMNMYUWIOK-GJZGRUSLSA-N 358.429 2.439 0 40 FEAB CN(C)c1cncc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)n1 257208526 BMNIVCYQUIRACE-HNNXBMFYSA-N 354.410 2.178 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 257292467 QLQCMGJUGYIWQF-KRWDZBQOSA-N 362.437 2.487 0 40 FEAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccccc3)C2)nc2c1CC(=O)N2C 257320539 VXGOQPJFMATEBZ-NRFANRHFSA-N 364.449 2.498 0 40 FEAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)ccc1Cl 640875830 ZWFVQJRIIFJYEJ-XKQJLSEDSA-N 352.862 2.131 0 40 FEAB C[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653539255 XXEPNBUTWJBGQF-KGYLQXTDSA-N 362.430 2.040 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)c1 664430027 MCDCOAREULSRKD-AAEUAGOBSA-N 374.890 2.156 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 585100994 RENCYTARSDTWMA-IBGZPJMESA-N 354.385 2.275 0 40 FEAB O=C(NC1CC2(CCN(C(=O)c3ccsc3)CC2)C1)c1cnccn1 585104537 PRDOEXIJLQKONR-UHFFFAOYSA-N 356.451 2.353 0 40 FEAB O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 585098069 SYSLSIWIVTYTSD-QGZVFWFLSA-N 356.445 2.462 0 40 FEAB O=C(NCCNC(=O)c1ccc(Br)cc1)c1ccc(O)cc1 47545229 PHLQOVCZRMGQQS-UHFFFAOYSA-N 363.211 2.315 0 40 FEAB O=C(N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1)c1ccc(C2CCC2)cc1 685940868 YBARRILYSSCWMG-ZACQAIPSSA-N 354.410 2.380 0 40 FEAB CCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 14565807 HMERUYNMHBZSHM-UHFFFAOYSA-N 369.516 2.192 0 40 FEAB CCc1ccc(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15235553 FDFNKTNOHXOSBL-CZDRUDQFSA-N 360.454 2.489 0 40 FEAB COc1cc(CCC(=O)NCc2nnc3ccccn23)cc(OC)c1OC 32523984 JPVJEDNXRUYZCW-UHFFFAOYSA-N 370.409 2.004 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)cc1 1301932171 BCOJNKUNORROEP-UHFFFAOYSA-N 364.210 2.102 0 40 FEAB COCCN1CC[C@]2(CCCN(C(=O)Cc3ccc(C)cc3)CC2)C1=O 1614946706 AFQLXVIJKRWJSF-OAQYLSRUSA-N 358.482 2.415 0 40 FEAB O=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC(O)C1 1565553717 CGZHGEWYSMKYDB-UHFFFAOYSA-N 356.466 2.378 0 40 FEAB COC(=O)C[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(OC)c(OC)c1 4751474 SUCOMIFIMIQSRV-ABAIWWIYSA-N 350.367 2.076 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 4850568 XYUSHBKMVVNUOC-UHFFFAOYSA-N 363.417 2.085 0 40 FEAB O=C(NCc1ccccc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 10221008 VELPDIQXHZOHCX-UHFFFAOYSA-N 351.406 2.458 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccc(F)cc4)[C@H]3C2=O)cc1 101167324 RLFFRZCLUNYEQL-HZPDHXFCSA-N 354.341 2.328 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](Oc2ncccn2)C1 575612038 IIKIVYHZELFWCU-SFHVURJKSA-N 363.421 2.405 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 40090543 GTGZIXDXMFUTRT-GJZGRUSLSA-N 362.445 2.243 0 40 FEAB C[S@@](=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 40050275 ZOIFGIBYSIVUGL-DEOSSOPVSA-N 352.456 2.117 0 40 FEAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 2190723 MODGHLLGMSXRBA-UHFFFAOYSA-N 374.462 2.479 0 40 FEAB O[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@H]2O[C@H](c3ccccc3)O[C@@H]21 4829709 DZDXMNRIZOWGEP-IHSTXPOGSA-N 356.374 2.301 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2Cl)cc1 8158395 IJOCMWCAIZOFEM-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccccn1 12324373 LXADQZQBVBQFSI-GOSISDBHSA-N 358.405 2.338 0 40 FEAB C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(N2CCOC2=O)c1 103839184 XDXYWLFMFLSONI-LLLJDESDSA-N 370.405 2.343 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(Cl)c2)cc1 9868310 AKDDTCHXYGNASG-UHFFFAOYSA-N 367.858 2.029 0 40 FEAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@@H]1C 20466086 CXAMELXYQHONHH-DFYVFWLTSA-N 350.503 2.229 0 40 FEAB biogenic,in-vitro Cc1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1C 100618762 RBLAOYKCVZXLRQ-BZUAXINKSA-N 350.484 2.374 0 40 FEAB O=C(Nc1ccccc1O)c1ccc(=O)n(CCOc2ccccc2)n1 24748386 IZVDNOYTPRSKCH-UHFFFAOYSA-N 351.362 2.280 0 40 FEAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ncnc2nc[nH]c12 24877045 KXJSVKKRKIMKJH-SECBINFHSA-N 350.338 2.018 0 40 FEAB C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc2N(C)C1=O 106921092 PNELLXZGBHGHKV-ATZDWAIDSA-N 371.481 2.276 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1 102828839 KWRRCGDTDFRHEH-UHFFFAOYSA-N 369.402 2.261 0 40 FEAB COCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1 26538978 VOIGNROULQOJOB-UHFFFAOYSA-N 369.370 2.350 0 40 FEAB CCCN(CC1CC1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 52796891 HSDBHRVQQUIAGZ-UHFFFAOYSA-N 363.483 2.230 0 40 FEAB Cc1cc(C)nc(SCC(=O)N[C@H](Cc2ccccc2)CN(C)C)n1 58246499 BRPQPUSBEVFSBD-QGZVFWFLSA-N 358.511 2.475 0 40 FEAB COc1ccc(Cl)cc1NCCC(=O)NCC(=O)NCc1ccco1 58203237 QAAYKEBEAOZCEK-UHFFFAOYSA-N 365.817 2.176 0 40 FEAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccc(-n3cncn3)nc1)C2 48288607 LXFAVWBCPWHXKE-INIZCTEOSA-N 351.435 2.304 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)CCCC2 36883305 UDEBPMSFHQIYCB-IBGZPJMESA-N 370.474 2.166 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(OC)c(C)c(OC)c2)C1 48333989 LHXCYTNRFJJCFW-AWEZNQCLSA-N 350.415 2.363 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccco2)cc1 22227046 KIRJMVNVCAWJES-UHFFFAOYSA-N 350.440 2.283 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12853252 JQHHVVJEBUPHJT-GJZGRUSLSA-N 354.834 2.184 0 40 FEAB CCc1cccc2c([C@H](O)CN3CCN(c4ncccn4)CC3)c[nH]c12 12896561 BAOGDCNNWHWJEL-GOSISDBHSA-N 351.454 2.376 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)c(C)c1 408627150 YCLPSGQQJMTRRS-UHFFFAOYSA-N 356.488 2.224 0 40 FEAB Cc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c2ccccc2n1 3516516 QWCUMABQXRUJLE-UHFFFAOYSA-N 355.394 2.468 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1C 3517467 NJGNIYUYJQHZOG-LBPRGKRZSA-N 350.415 2.412 0 40 FEAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 12902044 WRLGYXDQAKBMEC-UHFFFAOYSA-N 365.389 2.369 0 40 FEAB biogenic O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccncc1 17585506 IQLBJGYZNYFRFK-UHFFFAOYSA-N 360.377 2.075 0 40 FEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 13555034 QKDZKLODHGSJHY-JVPBZIDWSA-N 357.498 2.291 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1C 8739122 YORRJVRVGWKBDO-UHFFFAOYSA-N 352.394 2.410 0 40 FEAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2ncccn2)CC1 14119628 CDSFZTOMRGKFNO-UHFFFAOYSA-N 373.265 2.294 0 40 FEAB COc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)c(OC)c1OC 14227398 QWZMISIJYOHYBB-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB COc1ccccc1OCCC(=O)N1CCN(C(=O)c2ccco2)CC1 6510040 VIWYFYAKUBTYPQ-UHFFFAOYSA-N 358.394 2.042 0 40 FEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 6880072 VRYCFZBTRGHQLM-KXBFYZLASA-N 367.401 2.457 0 40 FEAB O=S(=O)(c1ccccc1Cl)c1nnn2c1nc(O)c1ccccc12 67240306 BJHAMDBYOQLXBT-UHFFFAOYSA-N 360.782 2.469 0 40 FEAB Cc1cc(C)c(CNC(=O)COc2ccc(Br)cc2)c(=O)[nH]1 7056459 NUFWAARUBNMRRA-UHFFFAOYSA-N 365.227 2.449 0 40 FEAB CCN(CC)C(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 7254261 UTXYACYIBOMGOA-UHFFFAOYSA-N 371.484 2.039 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 7478836 NCYHREQKCJESNY-HXUWFJFHSA-N 353.422 2.023 0 40 FEAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCC[C@H](C)C2)c1C 15866630 FZMKDNFKOQAIPF-LBPRGKRZSA-N 361.467 2.474 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16022002 YHJBFALZYUQLJS-KPTJMHEGSA-N 369.465 2.170 0 40 FEAB CC(C)n1ncc2cc(NC(=O)Cn3c(=O)cnc4ccccc43)cnc21 16106722 NOCGAXSZTBJBQV-UHFFFAOYSA-N 362.393 2.361 0 40 FEAB COc1ccc(OC)c(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 9154876 SMRNJMNOGRMQEY-FQEVSTJZSA-N 368.389 2.434 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)CN(C)C(=O)c2ccccc21 9184584 ADNXDXXKKXGAEX-UHFFFAOYSA-N 351.406 2.361 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c1 96435764 CONWQAUWCXIITE-UHFFFAOYSA-N 374.418 2.422 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620734 HLPWLINRRWMYGI-XEZPLFJOSA-N 365.311 2.186 0 40 FEAB O=C1CC[C@@H](NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CN1 72062899 NAOJSOPKGZPNEC-GFCCVEGCSA-N 367.434 2.004 0 40 FEAB CC[C@H](C(=O)N1CCC(NC(=O)c2ccc[nH]c2=O)CC1)c1ccccc1 84734213 JQEOFXARNGRSOV-KRWDZBQOSA-N 367.449 2.290 0 40 FEAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC 409136401 YVAXYVZWPRZYQK-BJMVGYQFSA-N 357.771 2.478 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 36182859 VQXGTZBYFLTOPX-UHFFFAOYSA-N 366.346 2.316 0 40 FEAB COC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 32988244 HHWPNVJKVYUHED-AWEZNQCLSA-N 354.834 2.164 0 40 FEAB CN1CC2(CCN(Cc3ccccc3)CC2)Oc2ncccc2S1(=O)=O 306133164 MDTWEDMEBVGIRM-UHFFFAOYSA-N 373.478 2.129 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218479485 HQWCVMQDADPXSM-CMKODMSKSA-N 373.474 2.443 0 40 FEAB CCCCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38858965 BUGKFOJPPREZEY-CQSZACIVSA-N 360.863 2.173 0 40 FEAB Cc1cnc(OC(C)C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 529108840 QVAWNBVGRVSAFA-KGLIPLIRSA-N 367.471 2.361 0 40 FEAB Cc1ccccc1OC[C@H](O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32907300 KIOQJVBWYJCZEP-OAHLLOKOSA-N 374.462 2.329 0 40 FEAB Cc1cccc(CC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 35594961 TUZFNYGRUCXOHJ-LJQANCHMSA-N 352.434 2.254 0 40 FEAB O=c1cc2c(nn1CN1CCN(c3ccc(F)cc3)CC1)CCCCC2 79495658 RFDMDARWSAGJQM-UHFFFAOYSA-N 356.445 2.431 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N[C@@H]3CCCC[C@H]3C)nc12 72347030 GHPMUUQHIILPTR-ZIAGYGMSSA-N 355.442 2.166 0 40 FEAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2cnccn2)C1 70842083 WJAQXGIQPGBNQP-GFCCVEGCSA-N 354.385 2.056 0 40 FEAB COc1ccccc1N1CC[C@@H](N2CCN(c3cncc(F)c3)CC2)C1=O 568304452 PPNGNXPSCQHQTP-GOSISDBHSA-N 370.428 2.157 0 40 FEAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225878660 DDUOWOUCOLYMMC-UHFFFAOYSA-N 361.500 2.324 0 40 FEAB COCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(OC)c(OC)c1 40372722 RKVWBEIIYTVTGN-UHFFFAOYSA-N 372.381 2.050 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1cccc(-n2cccn2)c1 225775571 KSISQXFIYNUSME-UHFFFAOYSA-N 365.418 2.074 0 40 FEAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)NCc1cccc(Cl)c1 48991451 POJODVDFYCQXAZ-UHFFFAOYSA-N 357.819 2.027 0 40 FEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 44839882 TWOSEGYVYWYIFO-ZDUSSCGKSA-N 355.394 2.044 0 40 FEAB NC(=O)Cc1csc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)n1 575443027 DPTQGXLCSHNRCR-HNNXBMFYSA-N 354.435 2.395 0 40 FEAB COc1ccccc1N(CCCC(=O)NCCC(C)C)S(C)(=O)=O 224065715 ITLZUOFZCDLSNF-UHFFFAOYSA-N 356.488 2.404 0 40 FEAB COC[C@@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2OC)CC1 199402218 OBILFQMVVPPADL-CQSZACIVSA-N 350.459 2.067 0 40 FEAB Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CCO2)no1 332870363 MOFHATDPKUOXRC-BBWFWOEESA-N 372.425 2.381 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106836 USZACGRZMCTQJY-SFHVURJKSA-N 353.422 2.457 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)[C@H]1CC=CCC1 96044456 GWKSRSNZKHIFJX-WMZOPIPTSA-N 359.470 2.396 0 40 FEAB O=C(c1ccc(Cl)cc1-n1ncnn1)N1CC[C@]2(O)CCCC[C@H]2C1 94993204 IMGNKRAOCHNISB-YVEFUNNKSA-N 361.833 2.083 0 40 FEAB CN(C)CCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96264178 ROFZROXRPIBJBE-UHFFFAOYSA-N 362.437 2.204 0 40 FEAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(C(=O)c3ccoc3)CC2)C1 247937810 LWODURLGOJVVCE-GOSISDBHSA-N 360.454 2.407 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccsc3)CC2)C1 247906500 XCWVRHFXQFXZTF-MRXNPFEDSA-N 352.500 2.195 0 40 FEAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1 257268236 MKTTZYNENHERSQ-QGZVFWFLSA-N 350.378 2.253 0 40 FEAB CNC(=O)c1sc2nccnc2c1C1CCN(c2ccncn2)CC1 257223709 DYOQMUXLZWTZSG-UHFFFAOYSA-N 354.439 2.225 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2NC(=O)C[C@@]23CCCC[C@@H]3C)cc1 1629316028 UTHYJBFWGNIHAF-VBKZILBWSA-N 355.438 2.315 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@H]1c1cnn[nH]1 622167784 GJICPNIERUTHNN-XJKSGUPXSA-N 354.366 2.445 0 40 FEAB CC(=O)N[C@]1(c2nc(C)no2)CCN(c2ccnc(C(F)(F)F)c2)C1 643692699 NGZCWDWWFXHFMN-CQSZACIVSA-N 355.320 2.034 0 40 FEAB Cc1nnc(CN(C)C(=O)NCc2noc(-c3cccc(F)c3)n2)s1 665913752 WQJGOVSLYYWIIG-UHFFFAOYSA-N 362.390 2.377 0 40 FEAB CCN1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@@H]1C 677192898 QUKYJDHATZLWPT-AWEZNQCLSA-N 352.442 2.047 0 40 FEAB Cc1cc(CNc2nc(-c3ccco3)nc3c2CCN(C)CC3)n(C)n1 72478957 PFZXIUOXFCPOTP-UHFFFAOYSA-N 352.442 2.421 0 40 FEAB Cc1ccc(N2CC[C@H](c3n[nH]cc3CNC(=O)C=C3CCC3)C2)nn1 1775959861 CTTMFAAGPORKCB-HNNXBMFYSA-N 352.442 2.229 0 40 FEAB C[C@H](NC(=O)NCc1nnc2n1CCOCC2)c1ccc(F)cc1Cl 1615592920 VZLJHYNCCHOQNL-JTQLQIEISA-N 367.812 2.204 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(OC)c1 56027063 WQACFRCITLVOLF-OAHLLOKOSA-N 358.438 2.345 0 40 FEAB Cc1noc(C)c1C[S@@](=O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 69813143 HTAARSOOJKZECV-VDBVYFBLSA-N 364.423 2.339 0 40 FEAB O=C1CCC(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 1615160438 ORKVRZOQLLHPAV-UHFFFAOYSA-N 370.449 2.170 0 40 FEAB COc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1c(CO)cnc(C)c1O2 13362751 MXADQLFVEVZSKD-UHFFFAOYSA-N 351.362 2.338 0 40 FEAB CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC)c1=O 13478017 IZFYJVITWLNDJA-CSKARUKUSA-N 370.409 2.114 0 40 FEAB CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1C 19520954 LZHZNGOHXGQSAR-KRWDZBQOSA-N 368.485 2.426 0 40 FEAB Cn1cc(-c2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)c(-c2ccccc2)n1 19697059 ZSTMXXSCCXSRQT-ZDUSSCGKSA-N 367.434 2.428 0 40 FEAB Cc1nc([C@H]2CCCCN2CC(=O)N(C)C)ncc1C(=O)N1CCCCC1 19765735 ZCMMBEGEJOMOHI-QGZVFWFLSA-N 373.501 2.026 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 683805182 KFKGHEJCZKNKSX-DOMZBBRYSA-N 360.414 2.427 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(c3ncc(Br)cn3)C2)nc1 1889090956 AFVQRWQLYSJFNJ-ZDUSSCGKSA-N 363.263 2.443 0 40 FEAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCCC1 4166293 SNFCODWSRWUQAB-UHFFFAOYSA-N 368.466 2.374 0 40 FEAB CCc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cn1 2055796014 KSLNXSCCXUIOKN-GOSISDBHSA-N 371.481 2.039 0 40 FEAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cnccn1 38679191 XXXFSEGADXZSPG-UHFFFAOYSA-N 365.437 2.178 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)NCc2cccnc2-n2cccn2)c1 31227595 CPNZNZXZGDMYSY-RUZDIDTESA-N 354.435 2.076 0 40 FEAB CCN1CCN(c2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)CC1 11952102 VCGSKHOHEORPPO-UHFFFAOYSA-N 372.513 2.464 0 40 FEAB Cc1csc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)n1 11997164 CPORECVNUQLFSU-LLVKDONJSA-N 368.484 2.383 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 32869854 AHZHENQQXIVAKN-GFCCVEGCSA-N 367.496 2.216 0 40 FEAB O=C(C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c[nH]c2ccccc12 4163073 BDYVZZSVZPMXQS-UONOGXRCSA-N 361.401 2.158 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 6384002 ZCPMDMZZWWHGEQ-UHFFFAOYSA-N 357.391 2.053 0 40 FEAB C[C@H](NC(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccccc1 6586006 ZIOCIJFESZIQPR-INIZCTEOSA-N 360.479 2.368 0 40 FEAB O=C1CN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CCN1 32915415 AXTNJDHLYAVKBT-UHFFFAOYSA-N 359.813 2.294 0 40 FEAB C[C@H](OC(=O)CCCNc1ncccn1)C(=O)Nc1ccc(Cl)cn1 32928475 UMXYIBDEZMJMEH-NSHDSACASA-N 363.805 2.288 0 40 FEAB CN1CCN(c2ccccc2NC(=S)NC(=O)Cc2ccccc2)CC1 107932731 WUFPZFDEMNBDGG-UHFFFAOYSA-N 368.506 2.494 0 40 FEAB COCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 72401812 BBXKWTHTQWNXME-UHFFFAOYSA-N 352.390 2.376 0 40 FEAB CC(C)NC[C@H](O)COCCOc1c(F)cc(Br)cc1F 27530943 XKFOMYZSIKKKLJ-NSHDSACASA-N 368.218 2.482 0 40 FEAB CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 3052199 AOFBWUZYMMJYQA-UHFFFAOYSA-N 356.350 2.402 0 40 FEAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCS2(=O)=O)cc1 24582919 VTNYYNKAHFBGID-UHFFFAOYSA-N 356.407 2.355 0 40 FEAB Cc1ccc(C(N)=O)c(OCC(=O)Nc2ccccc2N2CCCC2=O)c1 24879366 MTHADEZIKKOMBM-UHFFFAOYSA-N 367.405 2.238 0 40 FEAB O=C(c1cscn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108532517 XSIJDOOARLMYJL-ZDUSSCGKSA-N 359.455 2.199 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)c1ccc(Cn2ccccc2=O)o1 25011888 QZNDVPZVRUNMMT-UHFFFAOYSA-N 361.361 2.323 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCCC[C@@H]3C(=O)O)c(=O)oc2c1 2103774 PLXXRMIOJWENQI-OAHLLOKOSA-N 359.378 2.118 0 40 FEAB biogenic COc1c2c(cc3c1[C@H](c1nnnn1C1CCCCC1)N(C)CC3)OCO2 2128396 BKDUDYJWAQAMQE-MRXNPFEDSA-N 371.441 2.493 0 40 FEAB biogenic Cc1cc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)nn1C 23135872 DEJSZBHBTOXIAQ-UHFFFAOYSA-N 370.482 2.342 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)Cn1cnc3ccccc31)C2=O 2285909 MJHYAWVSCVHURZ-PJSUUKDQSA-N 355.438 2.209 0 40 FEAB CCn1nnc2cc(C(=O)OCc3cc(=O)n4c(C)csc4n3)ccc21 10856665 TWFDNKCOMWZJBO-UHFFFAOYSA-N 369.406 2.186 0 40 FEAB CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H](O)COCC(C)C)c1 45718159 YYVPSSIOLVCQDJ-GUYCJALGSA-N 351.447 2.039 0 40 FEAB NC(=O)c1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Br)cc1 48356016 ZVXJGEIRRIIHLV-UHFFFAOYSA-N 363.215 2.079 0 40 FEAB CC(C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 38790958 JSFJRVMMLIFOIV-UHFFFAOYSA-N 350.216 2.197 0 40 FEAB COCCCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13690202 YWVVNBHZOFFRFE-OAHLLOKOSA-N 357.454 2.102 0 40 FEAB COc1ccc(Cl)cc1-c1nnc(S)n1CCN1CCOCC1 13723208 AEBMKZKANPLYIX-UHFFFAOYSA-N 354.863 2.228 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)NCCc3nnc4ccccn34)c12 14022572 YQEJHWHXSHVXFG-UHFFFAOYSA-N 362.393 2.424 0 40 FEAB CC(=O)Nc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 5422576 HMRUOLYPQVLGQE-UHFFFAOYSA-N 365.311 2.431 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C3CC3)n1C)OCO2 4946930 BUWUVGNZSSKOCU-UHFFFAOYSA-N 374.422 2.355 0 40 FEAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1 6971078 RRYKRDVCMSPEJM-UHFFFAOYSA-N 356.401 2.288 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cc(C)oc3C)nc2c1 7134427 URRHJQJIJBLIKR-UHFFFAOYSA-N 356.334 2.277 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccn1 7719288 SYEPTCSDTWUNLS-YJYMSZOUSA-N 350.422 2.488 0 40 FEAB O=C(CSc1nnc2ccccn12)c1c[nH]c(C(=O)N2CCCC2)c1 9459945 NNOGXVYEVHLDBH-UHFFFAOYSA-N 355.423 2.268 0 40 FEAB COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2nc(C)no2)CC1 69740405 QDQXZXICTMEYDJ-INIZCTEOSA-N 350.463 2.008 0 40 FEAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 9515631 KJESVEJEBSYWQW-KRWDZBQOSA-N 365.389 2.118 0 40 FEAB CC(C)CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N(C)C)CCC2 9586561 QZPSCEGUPIJFBO-UHFFFAOYSA-N 352.456 2.466 0 40 FEAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 95479490 ROPJAWAXLYTGDG-CYBMUJFWSA-N 357.366 2.350 0 40 FEAB C[C@@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 95448509 MLJWRWPKUAPIDG-FQEVSTJZSA-N 368.458 2.350 0 40 FEAB COC(=O)c1sc(NC(=O)c2c[nH]c3c(OC)cccc3c2=O)nc1C 95472151 HBICWAQKWHPNKQ-UHFFFAOYSA-N 373.390 2.341 0 40 FEAB C[C@@]1(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1(Cl)Cl 78850296 AYEYDGYHUVLNJJ-BONVTDFDSA-N 355.221 2.414 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnn(C)c1 95998414 MMJYWPMIEXYZNX-GOSISDBHSA-N 365.437 2.436 0 40 FEAB CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@@H]3CCC(=O)N(C)C3)n2)c1 79054359 IYEHCFZPXGRWCS-CQSZACIVSA-N 356.426 2.052 0 40 FEAB C[C@@](O)(C1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1)C(F)(F)F 545955626 LIMLCRTUZADPST-MRXNPFEDSA-N 368.359 2.433 0 40 FEAB Cc1cc(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)sc1Br 408502505 ZWMQMAZROYQVEH-RXMQYKEDSA-N 360.201 2.279 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 23074739 YPIDKPFKALCDJZ-CYBMUJFWSA-N 365.393 2.409 0 40 FEAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708938 NKIRYRDSFHLKGP-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(CC)c1C 36615322 HZHFYWNJDGFLEW-UHFFFAOYSA-N 353.492 2.255 0 40 FEAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cn1 32610298 PSUCYMGDPMNCLK-UHFFFAOYSA-N 373.394 2.413 0 40 FEAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N[C@H]1CCS(=O)(=O)C1 524734933 KMHVMGMXLGINLN-HOTGVXAUSA-N 366.870 2.424 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217651342 ADSOKEOMCNNZFH-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB O=C(NS(=O)(=O)c1cnccn1)c1cc2c(s1)CCCCCC2 152400685 XUMFDXPTSVRXTK-UHFFFAOYSA-N 351.453 2.316 0 40 FEAB Cc1noc(CN2CCN(c3ncnc4c3oc3ccccc34)CC2)n1 36833439 PNYCMZPDFFOHAS-UHFFFAOYSA-N 350.382 2.390 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)CCN1C(=O)c2ccccc2C1=O 40113694 RTQLCQIOSZMTER-UHFFFAOYSA-N 366.417 2.485 0 40 FEAB COc1ccc([C@@H](CC(=O)NC2CCCCC2)NS(C)(=O)=O)cc1 225954677 RLAFLOYSVQHJNH-MRXNPFEDSA-N 354.472 2.125 0 40 FEAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 225665041 JOUCWNPHJYAEHM-OFQRWUPVSA-N 351.811 2.062 0 40 FEAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 96043357 IUTLNPMGPVKHFB-OWCLPIDISA-N 358.467 2.404 0 40 FEAB Cn1cc(CN2CC[C@]23CCN(C(=O)Cc2c[nH]c4ccccc24)C3)cn1 96076108 INZYCTZGOXIXSD-NRFANRHFSA-N 363.465 2.321 0 40 FEAB COCCN1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn23)CC1 96155892 OVLCBMAPUCWHSI-UHFFFAOYSA-N 370.497 2.380 0 40 FEAB Cc1ncoc1C(=O)N1CC2(CC[C@@H](CN(C)Cc3ccco3)CO2)C1 248085662 DKCLCPSANQCTJI-HNNXBMFYSA-N 359.426 2.329 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@H]1[C@@H]3C(=O)N(C)CCN(C)C)O2 248009343 PAYTYWAMHPSKFB-FWQLUELVSA-N 356.466 2.375 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]3NCCC[C@@]32C)sc2ncn(C)c(=O)c12 257265838 MAOPOOWEDDGLDA-XIKOKIGWSA-N 360.483 2.050 0 40 FEAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)[C@H]3COCCO3)cc12 41790473 DRADZWDCXQTGQW-MRXNPFEDSA-N 359.378 2.392 0 40 FEAB Cn1cncc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 257303619 SHYJBHMYJDCTTB-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)n1 257342920 ZQPQFPOBWOUYEL-GOSISDBHSA-N 355.442 2.302 0 40 FEAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CNC(C)=O)C3)o2)cc1 257299069 ROQLYCGBVGDBCO-MRXNPFEDSA-N 371.437 2.116 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2cc(C)oc2C)cc1 85561893 HCZKQPPBKFNXPY-INIZCTEOSA-N 367.423 2.085 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(c2)nc(CO)n3C)nn1CC(F)(F)F 1120746624 YLEYDHZDEBDDDE-UHFFFAOYSA-N 367.331 2.385 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2onc3c2CCCC3)CC1 665998178 INDODAQXAAFWLZ-UHFFFAOYSA-N 357.385 2.291 0 40 FEAB O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)N1 597766295 ZDEWPROKFBXTPH-MRXNPFEDSA-N 361.417 2.475 0 40 FEAB COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)n1 567870907 XCLOFHKYPFXQSQ-VIFPVBQESA-N 371.390 2.037 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@@](O)(COc3ccc(C)cc3)C2)[nH]1 585277632 NUINBXORXUZFHJ-HXUWFJFHSA-N 359.470 2.231 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)c1ccncc1 585112596 UCWYCHMEFKQATA-GOSISDBHSA-N 362.437 2.050 0 40 FEAB C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CCN1Cc1cn[nH]c1 585097409 LHVBOQDPYSRUOR-NSHDSACASA-N 359.821 2.205 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)N1CCCC1 585111454 AWKVRWAHARTHKF-GOSISDBHSA-N 357.433 2.385 0 40 FEAB O=C(c1cnc(C2CCNCC2)[nH]1)N1CC[C@@H](Oc2cccc(F)c2)C1 685942105 LEVSHHAWMZJCNO-MRXNPFEDSA-N 358.417 2.309 0 40 FEAB O=C(NCCNC(=O)c1ccc(Br)cc1)Nc1cccnc1 56357179 KTIVZYFRWUZTAU-UHFFFAOYSA-N 363.215 2.396 0 40 FEAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC2(CCCCCC2)C1 75968269 RFHCUPSFOHHEGV-CVEARBPZSA-N 356.532 2.115 0 40 FEAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1C 5628465 DZKQSJCRJGOUJD-AWEZNQCLSA-N 371.437 2.214 0 40 FEAB Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)c1C 5721904 OMIVORHCWUVUHR-MRXNPFEDSA-N 358.419 2.427 0 40 FEAB Cc1onc(C(=O)NCCN2CCc3ccccc32)c1Cn1cccn1 12148440 FNMXQVUXMAIKSF-UHFFFAOYSA-N 351.410 2.020 0 40 FEAB O=C(COc1ncnc2ccccc12)N1CCN(C2CCCCC2)C(=O)C1 12205941 YCOKVBPHTYIPJZ-UHFFFAOYSA-N 368.437 2.012 0 40 FEAB Cc1cccc2sc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)nc12 13789889 BCJJFOQUXMDMPI-LLVKDONJSA-N 353.469 2.215 0 40 FEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 14607205 UIVWSBDKRYAFKV-CQSZACIVSA-N 357.414 2.397 0 40 FEAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1 15673397 FPUKORFVCRXHCV-IRXDYDNUSA-N 357.454 2.296 0 40 FEAB biogenic,in-vitro CN(C(=O)C1(c2ccccc2)CCOCC1)C1CN(c2ccccn2)C1 1888854260 RBYINCVAAJNBSA-UHFFFAOYSA-N 351.450 2.477 0 40 FEAB COCc1nsc(N2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)n1 1888860360 KKCMIZCDCUTGMB-UHFFFAOYSA-N 374.392 2.128 0 40 FEAB CCc1ncnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1F 1888863838 DOWAPZIKXLYSDK-UHFFFAOYSA-N 371.464 2.203 0 40 FEAB Cn1cc(CCC(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cn1 2037908996 LCTUCPBXPAHTAH-HXUWFJFHSA-N 357.454 2.175 0 40 FEAB O=C(N1CCO[C@@]2(C1)C(=O)N(CC1CC1)C[C@H]2c1ccccc1)C1(F)CC1 1565546395 ADVHLRAORKFALW-LAUBAEHRSA-N 372.440 2.122 0 40 FEAB c1nc(OCC2CCN(c3ccc4nncn4n3)CC2)cc(C2CC2)n1 1565520793 PZQOMGBKQPSPFQ-UHFFFAOYSA-N 351.414 2.087 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CSc1nc(O)c2cn[nH]c2n1 4249757 HGWOYBALBFYBPT-UHFFFAOYSA-N 365.802 2.451 0 40 FEAB COc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1 7499853 IAOBGOVCUNVSGP-UHFFFAOYSA-N 351.453 2.331 0 40 FEAB Cc1nc2ncnn2c(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)c1C 1775973214 CEDCUBPWPXQJCL-UHFFFAOYSA-N 366.473 2.155 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)CC1 225718389 ZSRKHXSJDPQBQZ-HNNXBMFYSA-N 364.467 2.381 0 40 FEAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3ncnn32)cc1 6948526 PIXBVKVWCMQMFV-MRXNPFEDSA-N 358.398 2.155 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2)=NN1c1ccccc1 40062079 YLQDGFQJHJGWAE-MOPGFXCFSA-N 362.433 2.470 0 40 FEAB CC1=NN(c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCC(C)C)cc2)CC1 51218523 FRKBFFYDWNYDBP-CQSZACIVSA-N 374.441 2.300 0 40 FEAB COc1ccccc1NCc1nnc(SCC(N)=O)n1-c1ccccc1 688825 LTKOKXCIFMLINC-UHFFFAOYSA-N 369.450 2.465 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)C)c1c(C)cc(C)cc12 806627 QJFUGDJBJXOWTA-GOSISDBHSA-N 374.466 2.214 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1c3ccccc3C[C@H]1C)C2=O 2636835 SQLWWRFRRPUTKE-LQZXRHCMSA-N 355.438 2.465 0 40 FEAB CCOC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1 1547158 NNXLIBQGVVEZHL-KRWDZBQOSA-N 363.435 2.153 0 40 FEAB Cc1nn(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1Cl 2781702 ORHCCWZYHRQCCJ-UHFFFAOYSA-N 364.833 2.121 0 40 FEAB COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)n1N 3221172 FANCXTDIKWVBFP-UHFFFAOYSA-N 361.471 2.209 0 40 FEAB CCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 3518437 XWMCKLZCAIEIOM-NSHDSACASA-N 357.410 2.295 0 40 FEAB COc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1Cl 3606437 IBCPYMYHYVUSHW-UHFFFAOYSA-N 359.773 2.342 0 40 FEAB Cc1ccc2nc(COC(=O)CCn3ncc(=O)c4ccccc43)cn2c1 32836005 GTBQNCMHQBNJKD-UHFFFAOYSA-N 362.389 2.486 0 40 FEAB CCc1ccccc1-n1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1N 4985067 HUBPEXAABSOXCU-UHFFFAOYSA-N 365.393 2.071 0 40 FEAB CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6616097 KBSGTXGWNJEAMS-VIFPVBQESA-N 353.271 2.432 0 40 FEAB COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1OC 21652775 FARUISROWFOGAZ-UHFFFAOYSA-N 359.407 2.012 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)N3CCC(c4ccccc4)=N3)nc2n1 7814598 FZJVWSPEFZYKSI-UHFFFAOYSA-N 366.450 2.470 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1OC 10008809 SZBZVKLSJGTNLM-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB COc1c(Cl)cc(Cl)cc1[C@H]1C(C(N)=O)=C(C)Nc2ncnn21 8843545 APMWNZNDWHWXDR-NSHDSACASA-N 354.197 2.368 0 40 FEAB COC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21Nc2ccccc2S(=O)(=O)N1 100724327 ZTSVAEQHXCKNOV-UDVXPWBQSA-N 350.440 2.086 0 40 FEAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1 646328 XQCGCEPFZFEKOH-UHFFFAOYSA-N 370.434 2.379 0 40 FEAB COC(=O)c1ccncc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 83897508 MVBXRXUICXLOMG-VMPITWQZSA-N 365.433 2.339 0 40 FEAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1 9479917 NAJOLVDQYXLZKQ-SMDDNHRTSA-N 362.455 2.256 0 40 FEAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2nc[nH]c(=O)c12 61718291 ISXCZYVPKDWXFY-UHFFFAOYSA-N 368.462 2.251 0 40 FEAB COCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 24749331 AGAXWROYFUASNQ-UHFFFAOYSA-N 356.350 2.351 0 40 FEAB COc1ccc(CCNC(=O)c2coc(=O)c(Br)c2)cc1 1322820 RVNVJBCDZSHISD-UHFFFAOYSA-N 352.184 2.383 0 40 FEAB biogenic Cc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)c2c(n1)c(C)nn2C 28557417 ABUKQPXXDYHUSM-UHFFFAOYSA-N 365.441 2.334 0 40 FEAB CCOC(=O)c1cnc(S[C@H](C)C(=O)N2CCCCCC2)nc1N 12633429 DTWBAZHVCFWPDB-LLVKDONJSA-N 352.460 2.119 0 40 FEAB O=C([C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1)N1CCOCC1 108057063 BDBDPFAYWDBJTF-YIOZNXECSA-N 370.449 2.076 0 40 FEAB CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 78548037 QSZJOSAUNNAMJH-OAHLLOKOSA-N 361.442 2.153 0 40 FEAB O=C(c1ccc(Br)o1)N1CCN(CCc2ccccn2)CC1 21659709 AVUVNFMDERIQQD-UHFFFAOYSA-N 364.243 2.438 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1OC 58162649 LYKWDUGOPWPVLO-KDOFPFPSSA-N 370.515 2.493 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2c[nH]c3ccc(Cl)cc3c2=O)CC1 44901252 PUEVADFJTIHWIH-UHFFFAOYSA-N 363.801 2.096 0 40 FEAB Cc1ccc(-n2nnnc2SCC(=O)NCc2ccccn2)cc1C 58324948 DVLAMBVFURHMEG-UHFFFAOYSA-N 354.439 2.083 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)CC(=O)NCC(F)(F)F)c12 48273824 YIDXWDIMIUVUPP-UHFFFAOYSA-N 370.331 2.159 0 40 FEAB COc1ccc(CNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1 36397292 RUJMCJICPABBGA-UHFFFAOYSA-N 362.451 2.109 0 40 FEAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)cc1 12758594 HLIIMUPYQSBRAW-QGZVFWFLSA-N 373.840 2.051 0 40 FEAB COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C(=O)O)CS3)cc2)o1 36612342 QCTNMYCHYJTWCU-DZGCQCFKSA-N 363.391 2.433 0 40 FEAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1 29028503 MTPBFLRNZNFCAZ-UHFFFAOYSA-N 370.456 2.120 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12817101 RSHYIRJTGLQFSN-GFCCVEGCSA-N 355.369 2.488 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3460289 DIQIFBXGSCXDIM-IBGZPJMESA-N 353.378 2.101 0 40 FEAB CCOc1cc(C(=O)NCc2ccc(C(=O)O)cc2)ccc1OCC(=O)O 12916344 KAOYJQOLDWWHDZ-UHFFFAOYSA-N 373.361 2.177 0 40 FEAB NC(=O)[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 8850163 WKUNNUKWSWIMRI-AWEZNQCLSA-N 359.426 2.006 0 40 FEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccccc1Cl 4314115 YLSVFEZHIDLICT-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 65498508 PHUFIMQDMCPBAI-LBPRGKRZSA-N 366.845 2.490 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 14115879 GHPOPCLWACZTSR-LLVKDONJSA-N 370.833 2.462 0 40 FEAB O=C(COc1cccc(Br)c1)N1N=CC[C@@]1(O)C(F)(F)F 5446638 YJTTYYCRJPTFLV-LLVKDONJSA-N 367.121 2.297 0 40 FEAB CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 5571499 MPDFDWIPBFXANC-JTQLQIEISA-N 367.496 2.085 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 4741077 WFQWUAPJYKSBSU-UHFFFAOYSA-N 358.394 2.089 0 40 FEAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 4815931 ABNMXMFJQYYOES-LBPRGKRZSA-N 360.439 2.293 0 40 FEAB Cc1c(NS(=O)(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 7052109 BEOAODSNYLOMDZ-UHFFFAOYSA-N 361.398 2.424 0 40 FEAB O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303657 YLWHKSUOFPXILQ-ZDUSSCGKSA-N 363.414 2.260 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)o1 8381017 JEVDWIJWXSZGSQ-NTEUORMPSA-N 360.435 2.347 0 40 FEAB COC(=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 72303755 FUACXAGFHZOLAF-UHFFFAOYSA-N 361.316 2.379 0 40 FEAB O=C1CN(C(=O)Nc2ccccc2CN2CCc3ccccc32)CCN1 79542605 QCKCNXBIGPXCRD-UHFFFAOYSA-N 350.422 2.213 0 40 FEAB O=C(Nc1ccccn1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72406283 AUEVSUYMCGZMIO-UHFFFAOYSA-N 357.373 2.487 0 40 FEAB COc1ccccc1N(CCCC(=O)NC1CCCC1)S(C)(=O)=O 113968169 IQZLKKJOKUUYHW-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 408708050 GIHSPQKHSJEENY-AWEZNQCLSA-N 365.433 2.437 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306144138 YXBWSYIMJMGGFO-CQSZACIVSA-N 355.471 2.182 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 409205769 JVVSYSIQYIDQJZ-UHFFFAOYSA-N 368.499 2.258 0 40 FEAB CCOCCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 409114797 QIVGLSHDYOJOFI-UHFFFAOYSA-N 364.467 2.149 0 40 FEAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306132624 LOBCSSATWOCYEZ-CTNGQTDRSA-N 367.449 2.282 0 40 FEAB COc1cc(CN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)ccn1 535276775 WNQSGSJADRROAS-HNNXBMFYSA-N 372.444 2.374 0 40 FEAB O=C(NCCCN1CCOCC1)C(Oc1ccccc1)Oc1ccccc1 31623453 HEPBANSXQJXALV-UHFFFAOYSA-N 370.449 2.309 0 40 FEAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504181 AIYHUHUOFRKZPS-SOLBZPMBSA-N 363.410 2.026 0 40 FEAB Cc1nc(C)c(C(=O)NCCOc2ccc(-c3ccccn3)nn2)s1 56908160 MBSKJZTVRIRYJD-UHFFFAOYSA-N 355.423 2.421 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccccc3N3CCCC3=O)nc2s1 30504863 XPKPQEZPJRKIAT-UHFFFAOYSA-N 369.450 2.452 0 40 FEAB CN(C)CCn1c(=O)n(C)c(=O)c2c3c(sc21)CCc1ccccc1-3 71280790 QDFZSVFPMYDKQY-UHFFFAOYSA-N 355.463 2.089 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 223308905 OMYWGSBZVUDSMC-UHFFFAOYSA-N 374.462 2.295 0 40 FEAB CCOCCn1nc(C)cc1C(=O)N1CCC2(CC1)OCCC[C@H]2OC 95359819 FAQNLOMNPXGFIN-QGZVFWFLSA-N 365.474 2.028 0 40 FEAB Cc1occc1C(=O)N1CC[C@H](N(C)Cc2cccnc2)C[C@H]1C(=O)O 96198749 KGVIYGNQUJLCFP-RDJZCZTQSA-N 357.410 2.173 0 40 FEAB CCC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)N1 96261563 OWVOAABBLGTKGS-FRIZHTMISA-N 358.417 2.054 0 40 FEAB O=C(O)[C@@H](c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 96024387 BOBXXKQXHHOONM-CYBMUJFWSA-N 356.216 2.414 0 40 FEAB Cc1ccc(CN2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)s1 96056667 IHSPACYYRROGGH-RKVPGOIHSA-N 359.495 2.414 0 40 FEAB C[C@H]1c2ncc(COCc3ccccn3)n2CCN1Cc1cnn(C)c1 96109895 CDBSXOSJJBRSBP-HNNXBMFYSA-N 352.442 2.305 0 40 FEAB Cc1ccsc1C(=O)N1CCn2nnc(COc3cccnc3)c2C1 96256010 ALOGHVUKCXVXBO-UHFFFAOYSA-N 355.423 2.278 0 40 FEAB COc1cccc(CNC(=O)c2ccc3nnc([C@@H]4CCN(C)C4)n3c2)c1 96267435 JFEGFHVSQYAESN-OAHLLOKOSA-N 365.437 2.087 0 40 FEAB CCn1cc(CN2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)c(C)n1 248034958 QTNIUTIWDCWOEA-GUDVDZBRSA-N 354.498 2.458 0 40 FEAB Cc1ncoc1C(=O)N1CC2(CC[C@@H](CN(C)Cc3cccnc3)CO2)C1 248099935 HJGOUNYDHRENSL-KRWDZBQOSA-N 370.453 2.131 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)O)cc1 242722749 XTWMIXZNVMMWMP-AOIWGVFYSA-N 359.447 2.279 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257319602 VTFULUFMQJNEMY-LJQANCHMSA-N 357.458 2.102 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2ccccc2C)n1 257331650 XTRTYQWPFFQHLR-LJQANCHMSA-N 352.438 2.327 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)ncn1 257295121 QXBIHGLNBLWGSN-SFHVURJKSA-N 359.401 2.163 0 40 FEAB CO[C@H]1CCN([C@H]2CCC[C@H]2NCCC(=O)N2CCc3ccccc32)C1 1775959553 FZDFACDOTVLLSX-NSHGMRRFSA-N 357.498 2.197 0 40 FEAB O=S1(=O)C[C@H](O)[C@@H](N(C(=S)Nc2ccccc2)c2ccccc2)C1 575420050 DUWRTSHIPZYDDM-HOTGVXAUSA-N 362.476 2.048 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3ccc(C)nc3O)C2)c1 585275582 DEVHMYKDVQWCTO-FQEVSTJZSA-N 356.422 2.450 0 40 FEAB CC(C)CC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@H]1C 585096405 MJKFOVPKELUXAJ-CQSZACIVSA-N 355.442 2.157 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)[nH]n1 12116293 AKRUFFIXGVGXHL-UHFFFAOYSA-N 368.437 2.462 0 40 FEAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1ccc2nsnc2c1 12188667 RFHATISQYUSNJK-UHFFFAOYSA-N 354.391 2.338 0 40 FEAB COCCn1c(C)cc(C(=O)CN2C(=O)COc3ccc(F)cc32)c1C 15019909 BZQGAEJMBLYDRS-UHFFFAOYSA-N 360.385 2.499 0 40 FEAB O=C(c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1)N1CCOCC1 18275908 AETLTPDSRYCINJ-HOTGVXAUSA-N 374.824 2.181 0 40 FEAB Cn1nc(C2CC2)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 19288853 ZFSGZRUCOZTILV-UHFFFAOYSA-N 354.410 2.022 0 40 FEAB O=C(COc1ccc2nsnc2c1)NCc1nc(-c2ccccc2)no1 19374389 LFHZTVVYMYUAHN-UHFFFAOYSA-N 367.390 2.437 0 40 FEAB C[C@@H](O)CNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19456429 FKWHENWWZVBYEA-CZUORRHYSA-N 364.417 2.003 0 40 FEAB Cc1nc(-c2cncnc2[C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)no1 19693849 RYODIEKCKRSUFI-AWEZNQCLSA-N 371.441 2.236 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 2566287 YCYXUKRYYSXSLJ-HZPDHXFCSA-N 362.426 2.403 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2)C1=O 4787396 SABJIGAPDMBWFB-IBGZPJMESA-N 354.362 2.261 0 40 FEAB COc1ccccc1NC(=O)Cc1noc(CSc2cccc[n+]2[O-])n1 6083082 HDQVIFJNBZDFFL-UHFFFAOYSA-N 372.406 2.185 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C 6899464 JTVXAKBJXWAESZ-BZPMIXESSA-N 360.487 2.087 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)[nH]1 1889108441 IYXZPRGGYNSREY-UHFFFAOYSA-N 353.474 2.023 0 40 FEAB Cc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1 1889119517 GZOTYOFENXPEMH-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB Cc1cncc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)n1 1889139165 SGBINXAUTRODFX-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 32434699 LKUFPBDWFFISSZ-LBPRGKRZSA-N 364.870 2.114 0 40 FEAB CC(=O)N1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)CC1 39984811 MBCDXILQFGGMGC-ONEGZZNKSA-N 364.829 2.205 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1O[C@@H]1CCSC1 252571735 YMHIVZPDBSWUKV-LLVKDONJSA-N 356.407 2.388 0 40 FEAB O=C([C@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCC(F)(F)CC1 2087131114 NYLXYCLGYGNZBA-CQSZACIVSA-N 371.453 2.479 0 40 FEAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542547 NDKDWKBZAQEUME-AZUAARDMSA-N 374.481 2.301 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccccc1C 4911385 GFIQJMFJKAOZSS-HNNXBMFYSA-N 372.450 2.302 0 40 FEAB COc1ccc(CNC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 5193727 WRCJZHDJUKOFJF-HNNXBMFYSA-N 357.385 2.439 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CCCn3nnc(C(=O)NC4CCC4)c3C2)CC1 2055844896 NJPCELSMMXOCIW-HDJSIYSDSA-N 359.474 2.119 0 40 FEAB Cn1/c(=N\C(=O)CS(=O)(=O)c2ccccc2)sc2cc(F)ccc21 101037314 UQOZJEJXLHIBQC-FBMGVBCBSA-N 364.423 2.280 0 40 FEAB Cc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)c(C)o1 206637858 QDAVTQZEVNJMSJ-UHFFFAOYSA-N 367.409 2.082 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCC3)CC1 40034672 HHITWSSPKWZRML-UHFFFAOYSA-N 357.501 2.022 0 40 FEAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2s1 40082327 OPFWLQUPJRNMOY-UHFFFAOYSA-N 357.391 2.424 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 51356542 VNSHKKHTBJGETK-UHFFFAOYSA-N 365.332 2.455 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1 810170 ZTNHPXSSLJAVPB-UHFFFAOYSA-N 350.440 2.215 0 40 FEAB CC(=O)c1cc(C)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32623877 IXEXIZLMIPCCOH-UHFFFAOYSA-N 368.798 2.264 0 40 FEAB Cc1ccc2nc3c(c(C(=O)N[C@@H]4CCS(=O)(=O)C4)c2c1)CCCC3 32784435 IKICFLHKMVGUEZ-CYBMUJFWSA-N 358.463 2.339 0 40 FEAB Cc1ccc(-n2c3c(cc(C(=O)NCCO)c2=O)C(=O)CC(C)(C)C3)cc1 2809805 CUVCCRPIBXYVBW-UHFFFAOYSA-N 368.433 2.023 0 40 FEAB NC(=O)[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 41130857 XOJYUJUQSSQLEW-NSHDSACASA-N 351.244 2.205 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)c(C)n23)n(C)c1=O 4370477 UQILABDJBSAFBP-UHFFFAOYSA-N 365.437 2.392 0 40 FEAB O=C(CCNC(=O)c1ccncc1)NCc1cccc(CN2CCCC2)c1 52590710 ZOXLEHDJDJVQPS-UHFFFAOYSA-N 366.465 2.114 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967575 ZCSDJVGKLBEGCJ-RDJZCZTQSA-N 374.481 2.394 0 40 FEAB Cc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc2)cc1C 32904976 XWYLOJUXKXKBLA-HKUYNNGSSA-N 365.433 2.497 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)CCNc1ncccn1)N1CCCC1 32928320 INQYKIQPWPLHPP-QGZVFWFLSA-N 369.469 2.241 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10363915 QITPCHWJZZPKRP-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB CCc1ccccc1NC(=O)CN(C)Cc1cc(=O)n2ccsc2n1 8170660 PICUDTOIPFGXLC-UHFFFAOYSA-N 356.451 2.389 0 40 FEAB CN(C(=O)CN1CCCc2c(NS(C)(=O)=O)cccc21)c1ccccc1 52992672 ZWCHOJTYWWPSSL-UHFFFAOYSA-N 373.478 2.474 0 40 FEAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCCN1CCCC1=O 22625452 YBSMUHFGYSWHPQ-UHFFFAOYSA-N 368.359 2.184 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)c1cccc(Nc2ncccn2)c1 47122258 UNADLVGQKYAZAT-UHFFFAOYSA-N 372.392 2.126 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1 22934388 SJUNYOYZXGMJJG-FQEVSTJZSA-N 353.466 2.285 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 59291057 DVAYBIJEOMXEHY-UHFFFAOYSA-N 357.476 2.265 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42497601 MUZKBZIKDXSOGU-QGZVFWFLSA-N 358.486 2.193 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1Br 23886236 GXGAPQYUDSBPFK-GFCCVEGCSA-N 361.261 2.202 0 40 FEAB COc1cc(NC(=O)CNc2cc(-n3cnnn3)ccc2C)cc(OC)c1 55856208 ZIBFEWOPQPTMTL-UHFFFAOYSA-N 368.397 2.039 0 40 FEAB O=C(NC(=S)NC[C@H](c1cccs1)N1CCOCC1)c1ccco1 25325910 JPLYITDFPXDADO-GFCCVEGCSA-N 365.480 2.019 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccc(F)cc1 10031808 RRWJOYFIZYHVSX-UHFFFAOYSA-N 356.353 2.184 0 40 FEAB Cc1cc2n(n1)C[C@@H](CN[C@@H](CN1CCCC1=O)c1ccccc1)CN2 58366708 NOFQHEGZAAUORR-WMZOPIPTSA-N 353.470 2.187 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1 36392096 QJOHCPVYUMPHGA-SFHVURJKSA-N 369.421 2.202 0 40 FEAB CC(=O)Nc1ccc(C)c(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1 48280338 JYXVUWDUELNJTG-UHFFFAOYSA-N 358.442 2.476 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C=C/c1cccc(C(F)(F)F)c1 3451183 ILCCTRMDRDWWLR-QROSGCPLSA-N 358.316 2.496 0 40 FEAB COc1ccccc1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12902475 IQVUBZUUEXCWAM-UHFFFAOYSA-N 365.389 2.369 0 40 FEAB biogenic C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(Cl)cc2)C1=O 13100195 XDVYOTBWUFZKHX-SFHVURJKSA-N 357.797 2.381 0 40 FEAB O=C1CC[C@@H](C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CN1 63676952 PCXYXNXBDQEUOI-QGZVFWFLSA-N 362.433 2.227 0 40 FEAB COC(=O)Cc1c(O)ccn(Cc2ccc(OC(F)(F)F)cc2)c1=O 6003522 PIXOEHGJNKTSFE-UHFFFAOYSA-N 357.284 2.216 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 8780192 XYGQZBGGAQXHAY-BLVKFPJESA-N 358.442 2.465 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(F)cc2)no1 6305827 YAVSVSZCEISIPQ-LLVKDONJSA-N 351.403 2.499 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)[C@@H]1C 4476595 GICAROFGRONRGO-DHYLWCPWSA-N 357.454 2.395 0 40 FEAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 14097382 QRGWARFCGCDZPI-UHFFFAOYSA-N 360.391 2.013 0 40 FEAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2ccco2)CC1 14184590 UDAJVEWGKCAICH-UHFFFAOYSA-N 350.378 2.064 0 40 FEAB CN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 4681539 KCVDUEOQPQFJAJ-RVDMUPIBSA-N 351.362 2.227 0 40 FEAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5558381 ZXOINSDJOKJYDR-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7703998 NFUMDTQDRIKTFD-UHFFFAOYSA-N 374.418 2.121 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@@H]1CN 70177243 JZNSPDVEFQMKHJ-WCBMZHEXSA-N 353.307 2.259 0 40 FEAB COc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)c1 9592112 ZBLBZYHTYKXPIA-ZDUSSCGKSA-N 354.362 2.385 0 40 FEAB Cc1cc(C)cc(CS(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)o2)c1 71817334 LWFIAHJFCGMRJW-UHFFFAOYSA-N 371.480 2.262 0 40 FEAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCS(=O)(=O)C1 71891893 LBOYEAQSZUXPMI-MRVPVSSYSA-N 358.391 2.462 0 40 FEAB C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=S)n1C1CC1 72309564 NTXAODGFDVDQJB-SNVBAGLBSA-N 369.491 2.395 0 40 FEAB O=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(Cl)c(Cl)c1 21453644 BNPUFWDJMFXHHI-UHFFFAOYSA-N 369.208 2.414 0 40 FEAB Cc1cc(C)n2nc(C(=O)NC[C@@H]3CCO[C@H]3c3ccc(F)cc3)nc2n1 548348781 YWSHXDSEQPNCMU-HOCLYGCPSA-N 369.400 2.388 0 40 FEAB CCc1nnc([C@H]2CN(C(=O)c3ccc(Cn4cccn4)cc3)CCO2)o1 548662305 LESBEUYGZQVNOL-MRXNPFEDSA-N 367.409 2.091 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393987 ZXRWTLGMEQKLCI-HNNXBMFYSA-N 368.499 2.463 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC(C)C 409000462 WSWPZRJIKPOUKB-HIFRSBDPSA-N 350.415 2.170 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(CO)C(=O)O)cc1 218506499 LLKLXAPTIPKSQG-XYJFISCASA-N 364.394 2.137 0 40 FEAB Cc1ncsc1C(=O)N1CCC(c2nccnc2-n2ccnc2)CC1 72350679 XLXLQXPQBNVSJM-UHFFFAOYSA-N 354.439 2.447 0 40 FEAB CNC(=O)c1ccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1 32759973 GPVXQTGOZXPFEN-UHFFFAOYSA-N 363.320 2.418 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225728737 ZYIVBLLTQQYGQZ-NSHDSACASA-N 353.300 2.082 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220293776 GSPDQETZICYXHA-CQSZACIVSA-N 364.442 2.339 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 45671249 FRUHJIHTDQFGNT-JKSUJKDBSA-N 360.479 2.491 0 40 FEAB O=C(N[C@H]1CCc2ccccc21)c1cn(C[C@H](O)c2ccsc2)nn1 225583042 FKYMIVMMUJRIII-RDJZCZTQSA-N 354.435 2.491 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O)c1csc2c1CCCC2 225659766 ZAXVJMCAJYSASA-WVATUKLVSA-N 356.447 2.469 0 40 FEAB COCCC(=O)N1CCC2(C1)CN(C1CCN(Cc3ccccc3)CC1)C2 96202426 NJQFKXSTWBDOIS-UHFFFAOYSA-N 371.525 2.222 0 40 FEAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 95479449 DISANZGFEWAPDF-AWEZNQCLSA-N 358.442 2.308 0 40 FEAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1nccn2ccnc12 96002953 GHXJBTRSSZZJAI-NSHDSACASA-N 364.331 2.296 0 40 FEAB Cc1c(C(=O)N[C@@]2(CO)COc3ccccc3C2)oc2c1C(=O)CCC2 529823126 PLSJPBDJYLNHKO-FQEVSTJZSA-N 355.390 2.203 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc2c(c1)CCC2 245227196 FOUAYSBWKIMSHD-FKAIMOKRSA-N 362.429 2.167 0 40 FEAB CN(CC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257283729 OZQLWXYMGGHWJO-GOSISDBHSA-N 353.470 2.036 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cc(-c2ccco2)on1 253472967 QUNVEVHIKRLNRS-CYBMUJFWSA-N 356.334 2.169 0 40 FEAB Cc1cccc(N2N=C(C(=O)N(C)Cc3cccc(O)n3)CCC2=O)c1 1119983313 HIMJHUNIQKEERX-UHFFFAOYSA-N 352.394 2.237 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N[C@H](C(=O)O)c1ccccc1Br 659190576 OOAZAOIPBOXBRQ-ZDUSSCGKSA-N 366.215 2.355 0 40 FEAB CCN(CC)Cc1cccc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)c1 663600740 QCVYILAEMZVVPN-MRXNPFEDSA-N 355.429 2.440 0 40 FEAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cccc5[nH]ncc45)C3)ccc2n1 681952212 KAOWCWDDTYOELL-ZDUSSCGKSA-N 361.409 2.241 0 40 FEAB Cc1cncc(CN2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)c1 1775962802 HMLFPPNAJYVRGV-QZTJIDSGSA-N 367.497 2.255 0 40 FEAB CC(C)(C)OC(=O)N1CC(O)(C(F)(F)S(=O)(=O)c2ccccc2)C1 575435715 QOFFLQCCNSERMB-UHFFFAOYSA-N 363.382 2.035 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2F)C1 678984442 BRAHRFUQPJPTAC-WFASDCNBSA-N 364.417 2.352 0 40 FEAB CN(C)C(=O)COc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 44339267 FULPONZELBPHQU-KRWDZBQOSA-N 354.406 2.407 0 40 FEAB C[C@@H](Oc1ccc(NC(=O)[C@H]2CCc3ncncc3C2)cc1F)C(=O)O 630260769 OUJYLCSXAJBGAT-MNOVXSKESA-N 359.357 2.211 0 40 FEAB CCn1c(SC)nnc1C1CCN(CC(=O)NCc2ccco2)CC1 5001361 QUGBYRYIXTXCJO-UHFFFAOYSA-N 363.487 2.109 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccccc3C(C)=O)ccc21 5805081 QCFWERBDWMCZSM-UHFFFAOYSA-N 366.377 2.449 0 40 FEAB CC(=O)N1CCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)CC1 12183245 BSPJHKMUMITCSI-UHFFFAOYSA-N 365.481 2.012 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)o1 12225366 ZNOWFAFSVJSGCG-UHFFFAOYSA-N 355.394 2.089 0 40 FEAB COc1cccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 12292526 QSFGKCLXUWABLL-GOSISDBHSA-N 371.433 2.441 0 40 FEAB Cc1cc(NC(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)no1 12979618 OXLNKSDGQCBZHH-UHFFFAOYSA-N 365.430 2.330 0 40 FEAB COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 16087599 AKXVXORZWLWCIW-INIZCTEOSA-N 361.419 2.433 0 40 FEAB O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052749 XRUQXZHEHFOMJX-UHFFFAOYSA-N 364.492 2.214 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 19654528 JTNZTCNVYPQFJA-CYBMUJFWSA-N 354.414 2.148 0 40 FEAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CN(CC2CC2)CCO1 19700893 IVTDRPZSWKPBGE-JOCHJYFZSA-N 365.477 2.422 0 40 FEAB Cc1nc2cc(C(=O)N3CCO[C@](C)(C(=O)NC4CCCC4)C3)ccc2[nH]1 19745956 SYRRUBVODWHFDY-FQEVSTJZSA-N 370.453 2.161 0 40 FEAB CC(C)c1cccc2c1CCN(C(=O)Cn1nnc3ccccc3c1=O)C2 682760948 UWLTZECQRITLEU-UHFFFAOYSA-N 362.433 2.500 0 40 FEAB c1nc(C2CCOCC2)cc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 1888850011 NJCADSRGHFNPRY-UHFFFAOYSA-N 366.469 2.365 0 40 FEAB O=C([C@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCCCC1 1888853346 HMKFVCUTLYGONZ-CYBMUJFWSA-N 372.238 2.201 0 40 FEAB CC(C)(C)c1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc(C2CC2)n1 1888856951 ZQFKPGRFFWCNSO-OAHLLOKOSA-N 358.486 2.479 0 40 FEAB COc1nccnc1N1CC[C@@H](Oc2ccncc2Br)C1 1889102345 YHJGAZAUSKXLCC-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2ncnc3ccc(Cl)cc23)CC1 1889184574 DDEJMULGYUJOFK-UHFFFAOYSA-N 366.874 2.288 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 26100664 RYXYTSLCEQMSTD-UHFFFAOYSA-N 373.478 2.266 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)C2)CC1 1614932136 JBGVCVPFRXLBDQ-GOSISDBHSA-N 370.497 2.441 0 40 FEAB Cc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)cc2=O)cc1 4496051 LCOJGRWZGVDFMU-UHFFFAOYSA-N 351.410 2.301 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C 8863590 KAVGOSZAPQPIFG-HNNXBMFYSA-N 361.467 2.423 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)NCc2cccs2)cc1 9615424 YDHHGIGBFCOFPO-UHFFFAOYSA-N 358.427 2.122 0 40 FEAB Cc1cccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055732417 JXOLQFGBYJQPNS-INIZCTEOSA-N 355.438 2.103 0 40 FEAB Cc1c(Cl)cccc1C(=O)N1CCc2nnc(Cn3cccn3)n2CC1 2055713379 HTXMINCEUVMREH-UHFFFAOYSA-N 370.844 2.183 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)s1 23107839 MCEVILVPEIMPMV-ZDUSSCGKSA-N 372.537 2.470 0 40 FEAB O=C([C@@H]1CN(c2nccc3occc23)CCO1)N1CCC(F)(F)CC1 2086884724 OVZNLWLGWAFLED-AWEZNQCLSA-N 351.353 2.291 0 40 FEAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)o1 206968562 VUXZAYPJBVSGJI-GFCCVEGCSA-N 371.361 2.068 0 40 FEAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCC(C(N)=O)CC2)cc1 22609249 QVHAWSQZEAIBON-CQSZACIVSA-N 371.466 2.092 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCc2ccccc21 75155768 JQEFSFYDDKTJMR-IBGZPJMESA-N 356.447 2.297 0 40 FEAB O=C(NCc1cccs1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 40068514 XWIFWSJJXCSRGY-UHFFFAOYSA-N 354.428 2.212 0 40 FEAB CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1OCC 40073534 RRPUCKGRSGTPKQ-KRWDZBQOSA-N 374.481 2.401 0 40 FEAB CCOCc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 30178119 IWSSUPUUTARAIF-UHFFFAOYSA-N 352.390 2.379 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 40160418 RFBHRMWKNUJMTD-SFHVURJKSA-N 366.417 2.138 0 40 FEAB Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](C(N)=O)C2)c1C 50856963 WJZFXLVMYAASIA-GOSISDBHSA-N 353.422 2.373 0 40 FEAB Cc1noc([C@H](C)NC(=O)c2cccc(I)c2)n1 60241709 CDFOJXBFTCMWIT-ZETCQYMHSA-N 357.151 2.474 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2cc3c(F)cccc3s2)CC1 37171347 RNDAVMFEWZFOCG-UHFFFAOYSA-N 356.444 2.148 0 40 FEAB C[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 21589382 FOJRAXICUJOIMY-SNVBAGLBSA-N 366.468 2.348 0 40 FEAB CCOCCCNC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1 4552732 VCRHNRANYOXDOX-UHFFFAOYSA-N 364.486 2.459 0 40 FEAB O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1ccccc1 2746411 UFJHHKDLCJXGEB-UHFFFAOYSA-N 367.430 2.230 0 40 FEAB O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882627 WKTWNMHJNCMYRC-GFCCVEGCSA-N 369.333 2.285 0 40 FEAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7974236 YFQWPZLVUDEVPO-UHFFFAOYSA-N 370.336 2.384 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 7988620 HMSHUJYVFJLMBV-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 8405235 CFUCCZCGCHYRGH-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB O=C(NCCO)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 8476825 IIJVENNSIVYGDT-UHFFFAOYSA-N 360.776 2.449 0 40 FEAB CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(C)C)c(OC)c1 637879 QSASNKJPEAKUAN-MRXNPFEDSA-N 363.483 2.269 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc2c1=O 47305573 CVSDDVISYVDBJW-UHFFFAOYSA-N 356.407 2.296 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 1031724 VLKGMXWADSRQLT-UHFFFAOYSA-N 363.420 2.206 0 40 FEAB COc1cccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1 23946600 UUYGWDYHHNYHPZ-FQEVSTJZSA-N 367.405 2.283 0 40 FEAB COCCNC(=O)CSc1nccn1-c1ccc(Br)cc1 12539891 ZLBWIBHGUQRDAT-UHFFFAOYSA-N 370.272 2.490 0 40 FEAB CCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C(N)=O)c3c2CCC3)cc1 107760664 OBKUCXBUIAKKBE-GOSISDBHSA-N 366.465 2.403 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1ccc(F)cc1 27028535 KEUASDCMRQRFPU-DHZHZOJOSA-N 362.426 2.205 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCO[C@H](c2cccc(Br)c2)C1 58186077 FLILWWJGQMUPMB-ABAIWWIYSA-N 353.260 2.490 0 40 FEAB C[C@@H](Cc1ccsc1)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 58208921 PQCZLHXXCVSBIT-LBPRGKRZSA-N 370.471 2.303 0 40 FEAB C[C@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC(C)(C)O1 58222976 YOHUTLWCZQBKMS-ZDUSSCGKSA-N 357.410 2.097 0 40 FEAB Cc1ccc(CNC(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1 58246195 DXCPNMOENHJMPJ-UHFFFAOYSA-N 367.497 2.450 0 40 FEAB COc1ccc(CCC(=O)N2CCN([C@H](C)c3nnc(C)o3)CC2)cc1 58292428 ZFMDMVNOFLEPLI-CQSZACIVSA-N 358.442 2.225 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 20427531 CTBIEKGGLAUZSB-UHFFFAOYSA-N 351.366 2.481 0 40 FEAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1 58393313 FBMPDFSKWVUAEU-KGLIPLIRSA-N 357.223 2.181 0 40 FEAB CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 78282062 HJXFMQZLKKCIDV-UHFFFAOYSA-N 354.454 2.262 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 2212958 MOYQEJSCVJYRFA-UHFFFAOYSA-N 366.377 2.415 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 48253406 TVQVAINAMJPBBN-INIZCTEOSA-N 358.438 2.158 0 40 FEAB Cc1ccc2c(CC(=O)NC3CCN(S(C)(=O)=O)CC3)coc2c1C 36391311 MBHIUUIOQIEXIK-UHFFFAOYSA-N 364.467 2.132 0 40 FEAB CCOc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(OCC)cc1C 11566076 IAUURFBFFFJYJA-UHFFFAOYSA-N 371.455 2.278 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3459281 ANQPBVDAZBTRMM-VLIAUNLRSA-N 357.454 2.440 0 40 FEAB Cc1cc(NC(=O)C(=O)NCc2c(C)noc2C)ccc1N1CCCC1 63230900 YZAHKYJJDGLLBW-UHFFFAOYSA-N 356.426 2.455 0 40 FEAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 21335078 QJDCQTWNBAXRQA-HNNXBMFYSA-N 359.513 2.398 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1C 6083146 QEXZZQNQZVPBMB-UHFFFAOYSA-N 370.405 2.298 0 40 FEAB COC(=O)Cc1sc(NC(=O)CSc2nc(C)cc(C)n2)nc1C 13945721 USLXYJOMOSWTFO-UHFFFAOYSA-N 366.468 2.305 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1 5375955 SCRNYRORXYXPQC-UHFFFAOYSA-N 355.350 2.159 0 40 FEAB C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2 14138388 MWDUYZONXDWBQP-LLVKDONJSA-N 371.422 2.050 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)NC2(CCCC2)C1=O 14142028 PUSGKCDQXZTZBB-UHFFFAOYSA-N 353.426 2.126 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 14109031 RTUFHDKDSFECGI-HXUWFJFHSA-N 353.374 2.261 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O 4545233 ROQYMUWRPUJGOR-UHFFFAOYSA-N 361.394 2.091 0 40 FEAB COc1cc(OC)cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 14246680 BAIYQYBEOPPHGN-FQEVSTJZSA-N 370.449 2.335 0 40 FEAB CN(CCOC(=O)/C=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21 5509840 UXYRKPIHRFFFTN-VAWYXSNFSA-N 370.430 2.324 0 40 FEAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC(N)=O)c3ccccc3n2)o1 6790458 QXGZOQBWQNGDAO-UHFFFAOYSA-N 353.334 2.155 0 40 FEAB O=C(CN1CCSC1=O)Nc1ccccc1I 14878404 HWAZJHQJBSCKEF-UHFFFAOYSA-N 362.192 2.399 0 40 FEAB COc1ccc2c(c1)CN(C(=O)CCc1nc3ccccc3c(=O)[nH]1)CC2 83970080 YISHQGDPRCYLTG-UHFFFAOYSA-N 363.417 2.449 0 40 FEAB COc1ccc(C(=O)N[C@H]2Cc3ccccc3NC2=O)c(OC)c1OC 15084130 NLWJCDSBEAADQY-AWEZNQCLSA-N 356.378 2.006 0 40 FEAB O=NN(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 35645852 IHMWYJBQUYYPCU-INIZCTEOSA-N 373.365 2.481 0 40 FEAB in-vitro CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1C 7005730 NPFWWRQHQMLQIQ-HXUWFJFHSA-N 367.405 2.484 0 40 FEAB CC(C)CNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524004 DAZCWVJESDBNJU-UHFFFAOYSA-N 358.408 2.385 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1C 9317484 JXLXWHYFVSLQKG-UHFFFAOYSA-N 350.422 2.268 0 40 FEAB CCN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)C1=CCCC1 7719460 JCDURYQTDWHZBW-UHFFFAOYSA-N 369.512 2.340 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12 9330114 NTDQNQVBEYKYFI-LLVKDONJSA-N 365.349 2.084 0 40 FEAB CC(C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996195 QQUYHGOEJHCCJV-UHFFFAOYSA-N 371.437 2.194 0 40 FEAB CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 9518692 HSLOFTRHXWFGAB-UHFFFAOYSA-N 370.388 2.233 0 40 FEAB C[C@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)CN1CCCCC1 72309193 KOOOETWQTSPFFB-OAHLLOKOSA-N 361.490 2.175 0 40 FEAB C[C@H](CS(=O)(=O)NCCc1n[nH]c(-c2ccco2)n1)c1ccccc1 79095679 AIUPJYUADAORHG-CYBMUJFWSA-N 360.439 2.330 0 40 FEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 84691984 BLCGKRAURKJFQP-GUYCJALGSA-N 373.453 2.221 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CCC(=O)N[C@H](C)c2ccccc2)C1 95437103 IRIAYGDFNLRBFO-WBVHZDCISA-N 360.454 2.446 0 40 FEAB O=c1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(O)cc2o1 85875388 DQWGUKCFDDPOQF-HIFRSBDPSA-N 364.401 2.280 0 40 FEAB biogenic Cc1noc(C)c1Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O 75165648 LBPLQBQDOQIYIY-UHFFFAOYSA-N 350.338 2.008 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ncccc1O 22265081 BNJFUYPSJQRNGT-UHFFFAOYSA-N 370.434 2.466 0 40 FEAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC[C@@H]1CCCO1 408702617 CALMGFZELHQERG-HNNXBMFYSA-N 374.462 2.424 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408591751 JIKBISGRUJBIRB-CQSZACIVSA-N 362.451 2.021 0 40 FEAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(C4CCCCC4)nn23)C1 1501040169 BTHLPPAHKBVLBD-LBPRGKRZSA-N 369.516 2.373 0 40 FEAB CC(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217510354 STFIJQXRMHUCBW-UHFFFAOYSA-N 358.460 2.299 0 40 FEAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 72369678 GUEJBFGMEZQCPF-HNNXBMFYSA-N 350.426 2.383 0 40 FEAB CSCC[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 75157530 UQFSVLUZUNFIAQ-HNAYVOBHSA-N 364.511 2.277 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223563854 LEDMFKNZNVBKGP-MSOLQXFVSA-N 365.462 2.232 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)NCc1ccnc(-c2cccs2)c1 225652206 DZQYJPQGFOBPND-UHFFFAOYSA-N 355.419 2.447 0 40 FEAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 226086377 SMZHYTZNAQCODV-UHFFFAOYSA-N 368.499 2.449 0 40 FEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(c2cnccn2)CC1 40104157 BWZVYQGFBPYIFG-UHFFFAOYSA-N 363.324 2.152 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3cccnc3)c(Cl)cc21 223361079 BPDYGHNRULHFJV-UHFFFAOYSA-N 367.814 2.141 0 40 FEAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 226085908 VTAXMAMKVWDLTQ-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192187 WLGGSKBHEFNTOW-NSHDSACASA-N 358.364 2.247 0 40 FEAB Cc1nc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 96108769 LWVDFYQABRVBFO-SJLPKXTDSA-N 352.500 2.343 0 40 FEAB Cn1cc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cn1 96037099 DBRKIMDTXISINR-UHFFFAOYSA-N 362.481 2.378 0 40 FEAB O=C(c1cccnc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96061697 RFNCWBFRCGNYAJ-UXHICEINSA-N 351.450 2.240 0 40 FEAB Cc1cccc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3cccn3C2)n1 247862231 GQHPAIFMJFEVFV-KRWDZBQOSA-N 361.467 2.085 0 40 FEAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)CC4CCOCC4)C[C@@H]32)nn1 257270835 MVVLZWPZRYMQCD-FGTMMUONSA-N 358.486 2.275 0 40 FEAB COC[C@H]1CCN(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)C1 585079960 WCCDTVIAKGNNEQ-HNNXBMFYSA-N 350.434 2.283 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3cnccn3)C2)ncn1 257209378 BQDQUYFXJOWYTM-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC3(CC2)CC3)c(CC(=O)O)c1 629345008 UBHIJPSCQNEUFF-UHFFFAOYSA-N 353.440 2.277 0 40 FEAB O=S1(=O)CCc2cc(CNc3ncnc4c3ncn4C3CC3)ccc21 644863054 GTMWHRRFNYDDAI-UHFFFAOYSA-N 355.423 2.103 0 40 FEAB CC(C)(C)[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1nc(=O)o[nH]1 1299827227 LDETVPBAUDDEBA-MRXNPFEDSA-N 369.425 2.385 0 40 FEAB Cn1nccc1[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@H]1N 1615592594 UKKAFQHJVPTKNK-UKRRQHHQSA-N 355.829 2.189 0 40 FEAB O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)[C@H]1CCS(=O)(=O)C1 585090867 SYSZFTLUCMZKHT-JTQLQIEISA-N 363.357 2.125 0 40 FEAB C[C@@H]1c2ncc(CCOc3ccncc3)n2CCN1C(=O)c1cocn1 585097970 PVQXCKQGJVRONC-CYBMUJFWSA-N 353.382 2.105 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)CCc1nc(-c2cccs2)no1 58098760 SRXXFRIEUANCEE-UHFFFAOYSA-N 350.444 2.104 0 40 FEAB O=C(NCC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1c[nH]c2ccccc2c1=O 69414250 CCDNQHGNYMPAMG-CABCVRRESA-N 367.449 2.297 0 40 FEAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CC[C@@H]2C=CC=C[C@@H]21 4263001 UPKRWRCVVLFEKN-LADOHOGBSA-N 361.419 2.298 0 40 FEAB Cn1c(N2CCC(C(=O)NCCCn3ccnc3)CC2)nc2ccccc21 12116332 LJNAENABCWLBHX-UHFFFAOYSA-N 366.469 2.193 0 40 FEAB O=C(NCCO)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12365657 JFCKVYZOQSDXOD-UHFFFAOYSA-N 366.364 2.068 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 12972487 WQNCOWJLEKQUPV-UHFFFAOYSA-N 355.325 2.019 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCc3ncccc3C)C2)c1 19745654 VEVRUALFQYACAU-INIZCTEOSA-N 353.422 2.177 0 40 FEAB CC(C)Cn1nnnc1S[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 30398631 ANPIXXYAZNIFHZ-OAHLLOKOSA-N 374.514 2.159 0 40 FEAB CN(C)CCN1CC[C@]2(COCCN(Cc3ccc(F)c(F)c3)C2)C1 2055772969 DNAKYMRENWSGQJ-IBGZPJMESA-N 353.457 2.051 0 40 FEAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)c1 225688446 BDAOUHHQYKTYFL-GOSISDBHSA-N 374.510 2.285 0 40 FEAB CCc1ccc(CNC(=O)CCn2nc(O)c3ccccc3c2=O)s1 40117099 PDLHVASOJFAEBV-UHFFFAOYSA-N 357.435 2.433 0 40 FEAB COCCN1CNC2=N[C@@H](c3cccs3)n3c(nc4ccccc43)N2C1 20102195 QPWRYHSYGPBDNU-MRXNPFEDSA-N 368.466 2.287 0 40 FEAB CN1C(=O)[C@](O)([C@H]2C(=O)Nc3ccc(Br)cc32)c2ccccc21 101090998 CCYAZZILOKJIMM-RHSMWYFYSA-N 373.206 2.349 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)NCCC(=O)N3CCCCC3)n2)c(C)c1 46460377 RGRATZBXCXQOAP-UHFFFAOYSA-N 369.469 2.325 0 40 FEAB NS(=O)(=O)c1ccsc1C(=O)OCCOc1cccc(Cl)c1 32858491 DPQNMRFHVKUTEQ-UHFFFAOYSA-N 361.828 2.285 0 40 FEAB Cc1nc2ccc3nc(NC(=O)CN4C(=O)CCC4=O)sc3c2s1 4167574 RLSFKXQTEYUJBA-UHFFFAOYSA-N 360.420 2.302 0 40 FEAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)NC[C@H]1CCCO1 32957441 HALIEASLPQGYRQ-QWHCGFSZSA-N 362.455 2.052 0 40 FEAB Cc1cc(OC(=O)CCCCC(=O)Oc2cc(C)oc(=O)c2)cc(=O)o1 6500763 XAMBJASPTZUVIO-UHFFFAOYSA-N 362.334 2.281 0 40 FEAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NC1CC1 6673639 WVCLTIBGUJRXLG-UHFFFAOYSA-N 370.406 2.439 0 40 FEAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)no1 52745984 MVQKNTDRYJLQFC-UHFFFAOYSA-N 356.426 2.124 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102082055 YONVZRPTOMXTJX-ZMOHYTEUSA-N 350.418 2.375 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 8476277 IMPFKDJNHVFKBL-NSHDSACASA-N 359.455 2.471 0 40 FEAB COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC 22462294 ZTYLYXAJASYXCG-UHFFFAOYSA-N 362.470 2.469 0 40 FEAB CCONC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22875434 WUEGHIJYVOITNP-INIZCTEOSA-N 350.440 2.210 0 40 FEAB COc1ccc([C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1Br 47497653 OYINJPBVNZBIIP-SECBINFHSA-N 374.260 2.231 0 40 FEAB CC(C)(CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 23653059 VJIBGQVBCQKNBN-UHFFFAOYSA-N 367.298 2.383 0 40 FEAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCCNC(=O)C1CC1 23791212 UWIWYZKJURPXFK-VOTSOKGWSA-N 352.866 2.157 0 40 FEAB CCOc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cnn(C)c2)C(C)C)cc1 24471829 QRKKVFBDFQMGGQ-GOSISDBHSA-N 372.469 2.232 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1n[nH]c2ccccc12 12574967 SNKSTQWDLLABPT-OAHLLOKOSA-N 356.451 2.428 0 40 FEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1cn2ccccc2n1 12507661 LFTMWUQHQGRUSC-MRXNPFEDSA-N 366.446 2.496 0 40 FEAB Cc1ccc(-c2noc(CN3CCc4cc(S(N)(=O)=O)ccc43)n2)cc1 12562745 XLKCDLAAMLCKBE-UHFFFAOYSA-N 370.434 2.255 0 40 FEAB COc1cc(N[C@@H](C)C(=O)NC(=O)NC2CCCC2)ccc1NC(C)=O 56162584 HZXOPQRADLTICO-NSHDSACASA-N 362.430 2.222 0 40 FEAB COc1ccccc1OCCC(=O)OCCN1C(=O)c2ccccc2C1=O 3288885 SZNJERQQXRAOJL-UHFFFAOYSA-N 369.373 2.304 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccnc(N2CCCC2)c1 48111722 QLZWESMCMPOTIS-UHFFFAOYSA-N 365.499 2.046 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 109051173 PENZGXZYFOBERB-MSOLQXFVSA-N 369.465 2.232 0 40 FEAB CCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248406 HYZJRGYYTIUNSF-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB COc1cccnc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 58414986 DIHXIUUDBOSRIQ-UHFFFAOYSA-N 350.334 2.185 0 40 FEAB COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1S(=O)(=O)N(C)C 8352205 KAERTUTVQCQEEE-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NCc1ccco1 3430183 UVQMFLMUBPSGRJ-LBPRGKRZSA-N 373.438 2.369 0 40 FEAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CCS(=O)(=O)C1 9112804 NOIUJJIKPPYWTC-VIFPVBQESA-N 358.391 2.462 0 40 FEAB O=C(COC(=O)[C@@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 12934858 UKAWNBMAOXHCFP-INIZCTEOSA-N 360.410 2.020 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)Nc1cc(F)ccc1F 13039052 LXYHJMXOBISMAF-UHFFFAOYSA-N 350.321 2.165 0 40 FEAB O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccc(=O)[nH]n1 69615631 MXFREVYVEVVERL-UHFFFAOYSA-N 362.227 2.384 0 40 FEAB CCN(C(=O)Cc1csc(-c2ccsc2)n1)[C@H]1CCS(=O)(=O)C1 39984296 AUGATSVCZNRFKK-ZDUSSCGKSA-N 370.521 2.450 0 40 FEAB COc1cccc(-c2c(C(=O)O)nnn2-c2ccc3c(c2)OCCO3)c1 65288244 YNKCFUYYZLSUME-UHFFFAOYSA-N 353.334 2.412 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc2c1OC 5351147 DBBPUPWRFKDOSJ-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB O=C1O[C@@H](C(=O)NCc2ccc(Cn3cccn3)cc2)Cc2ccccc21 14125004 XUEQORSEHYNICN-LJQANCHMSA-N 361.401 2.329 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)OCc1nc(N)c2ccccc2n1 18340989 XPLBNDCMNYAVJZ-UHFFFAOYSA-N 371.418 2.363 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(-n2cnnn2)c1 6882373 GDFVRQZPKSRXHV-UHFFFAOYSA-N 351.366 2.055 0 40 FEAB Cc1ccccc1-n1ccn(CC(=O)Nc2cccc(F)c2)c(=O)c1=O 67320684 AMBXEVLPPXDQFN-UHFFFAOYSA-N 353.353 2.085 0 40 FEAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]c(=O)[nH]c2c1 67361434 ABFOSXWZJNQLLQ-MRXNPFEDSA-N 364.449 2.498 0 40 FEAB CN(c1ccccc1)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](O)C1 80236386 XQEZXJYSUXHDJT-MRXNPFEDSA-N 353.422 2.376 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)cs1 80324198 OZOUCDMQZADVHN-UHFFFAOYSA-N 359.430 2.425 0 40 FEAB O=C([C@H]1CCCN1C(=O)COc1cccc(Cl)c1)N1CCSCC1 68361856 XBGIPXOJEIDRTC-OAHLLOKOSA-N 368.886 2.285 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cnn(-c2ccccc2)n1 7981982 GQGBTGKQKARGQW-UHFFFAOYSA-N 363.377 2.157 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9420636 SRFNVKMTKHEREL-MRVPVSSYSA-N 363.834 2.318 0 40 FEAB C[C@H](C(=O)NCc1ccco1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956768 CSGRJGFVYZDTPK-SNVBAGLBSA-N 358.366 2.029 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1O)OC(C)(C)C2)C(=O)NCc1ccco1 78441329 PUMXROCFZWAEDQ-LLVKDONJSA-N 358.394 2.133 0 40 FEAB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccn1 9766309 QEHHUFKNCQIOTP-UHFFFAOYSA-N 367.405 2.116 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95947795 AJHLTGUGDQMUDV-AEGPPILISA-N 370.405 2.126 0 40 FEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H](c1ccccc1)n1cnnn1 79488218 GXJIOVUXBOJBSR-HNNXBMFYSA-N 363.406 2.420 0 40 FEAB Cc1c(Nc2nc(Cl)nc(N(C)C)n2)c(=O)n(-c2ccccc2)n1C 27792805 PAFROAFLWRKZHQ-UHFFFAOYSA-N 359.821 2.132 0 40 FEAB O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCc2ccccc21 35312037 REDRUEDXDBYBNC-UHFFFAOYSA-N 374.448 2.468 0 40 FEAB COc1ccc2cc(C)c3nn(CN4C[C@H](C)O[C@@H](C)C4)c(=O)n3c2c1 72347006 ZATJKEKZBYFUTB-KBPBESRZSA-N 356.426 2.033 0 40 FEAB Cn1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1=O 75170744 GDSLFTGGEOSCME-UHFFFAOYSA-N 366.343 2.044 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@@H](N)[C@H]3C2)nnn1-c1ccc(F)c(F)c1 573566111 XHFKNGSXQBHIOT-DETPVDSQSA-N 361.396 2.053 0 40 FEAB COc1cc(NC(=O)CSc2ccc3nnc(C)n3n2)cc(OC)c1 44894127 HHBZZDHQSOPJHB-UHFFFAOYSA-N 359.411 2.181 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccccc1 224680419 ZIULWGNGVBPJPK-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 77099802 WJQVTEKDYFLREI-LBPRGKRZSA-N 373.418 2.368 0 40 FEAB COc1cccc(N(CC(=O)Nc2ccccc2OC)S(C)(=O)=O)c1 197721535 JOWWGFDPITWDSJ-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 225225489 KFSXQCFMTVAIKQ-BBRMVZONSA-N 356.488 2.401 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCn2cc(Br)cn2)CC1 40448057 PFLCIYJSLBANSD-UHFFFAOYSA-N 359.268 2.198 0 40 FEAB CCCCOc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1 224194788 FVIRIQOHIDAILR-UHFFFAOYSA-N 364.471 2.200 0 40 FEAB CN(C)C(=O)CN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96215345 NKDUIZIMYFHMSH-OAQYLSRUSA-N 368.481 2.184 0 40 FEAB COCCNC(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2Cc1ccccc1 96143925 CWYFGOKHCONNLC-UNMCSNQZSA-N 366.461 2.449 0 40 FEAB O=C(C1CCC1)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244236 WWFYJWKUZBBXOF-HXUWFJFHSA-N 368.437 2.482 0 40 FEAB Cc1cnc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccn4)C3)C2)cn1 96158063 JFMGDCKTRWTTOP-HXUWFJFHSA-N 351.454 2.308 0 40 FEAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cc1C 96074519 RWMWZYUBRKBXMG-GHTZIAJQSA-N 371.481 2.319 0 40 FEAB c1cc(CN2CCOC[C@]3(C2)CN(Cc2ccsc2)CCO3)ccn1 96229439 CJGLNTXTOHWIQP-IBGZPJMESA-N 359.495 2.247 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn21 247974118 VTRTVTWZAKNHSU-CYBMUJFWSA-N 358.785 2.226 0 40 FEAB Cc1cnc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)s1 252511096 ZTSFJEOLQHAZPY-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB Cc1cnc(C2(C)CCN(S(=O)(=O)c3cn(C)nc3C)CC2)s1 257219667 DHPURFJUJPKVAO-UHFFFAOYSA-N 354.501 2.236 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257203266 APGZKYSZRZEVHT-INIZCTEOSA-N 352.504 2.338 0 40 FEAB CN1CCC(Cc2ccccc2)(C(=O)N2CCC(C)(C(N)=O)CC2)CC1 257327146 XAEAPXISDVYHQH-UHFFFAOYSA-N 357.498 2.055 0 40 FEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2C(=O)COC2=O)CC1 253394238 AXNWZPIVBIHBHJ-UHFFFAOYSA-N 353.378 2.061 0 40 FEAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(C(F)(F)F)c1 257302259 SCDXOWRTQHAWSZ-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 250662827 GGORKDMWGUOYJH-RDJZCZTQSA-N 358.438 2.210 0 40 FEAB CC(C)n1nccc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257263569 LQPQSXFADCKXTD-CQSZACIVSA-N 363.487 2.135 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@H](c3ccccc3)[C@H](CO)C1)CS2 618453058 GLYGTUBRACXLAZ-CLWJZODNSA-N 374.506 2.065 0 40 FEAB Cc1noc([C@H]2CN(C(=O)N[C@H]3C[C@]3(F)c3ccccc3)C[C@@H](C)O2)n1 624245548 IWTBOJLMDXVJGJ-GMIDFTQGSA-N 360.389 2.487 0 40 FEAB COc1ccc2cc(CN3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)ccc2c1 628376290 NXJWAPGQAJSWQJ-WOJBJXKFSA-N 353.422 2.206 0 40 FEAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 635016147 WLIIVSWJSBKLKX-AWEZNQCLSA-N 356.344 2.326 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1Cc1ccc(OC)c(OC)c1Cl 643765465 UMMZBKDBSRJFFP-QGZVFWFLSA-N 356.850 2.084 0 40 FEAB O=C(O)c1ncsc1S(=O)(=O)N1CC[C@H](Cc2ccccc2)C1 572718536 IGUQKXSTMYGFBO-GFCCVEGCSA-N 352.437 2.095 0 40 FEAB Cc1ncsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575605543 QZILJFYPINUEQO-UHFFFAOYSA-N 357.361 2.223 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 585095824 NYMYRRLBTKYACD-INWMFGNUSA-N 358.467 2.190 0 40 FEAB CO[C@H]1CN(C(=O)c2cnc(C)nc2O)CC[C@@H]1Cc1ccccc1F 585280001 VNCCWVCQRVDROY-PBHICJAKSA-N 359.401 2.350 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)nnn1-c1cccc2ncccc12 89556331 GSXWWRZIYCTKLK-HUUCEWRRSA-N 365.437 2.357 0 40 FEAB O[C@H]1CCN(Cc2cccnc2)c2ccccc2OCCCCOC[C@H]1O 1615161195 LYMMXHGKEUWCOB-VQTJNVASSA-N 372.465 2.389 0 40 FEAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)O)N(C)CC3)OCO2 1547138054 UUGSTVWYBSAUEP-MRVPVSSYSA-N 358.188 2.190 0 40 FEAB biogenic COc1ccccc1OCC(=O)N[C@@H](C)Cn1c(=O)oc2ccccc21 12142053 LOOHOEICVWKQGH-ZDUSSCGKSA-N 356.378 2.187 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cn2c(=O)oc3ccccc32)c1 12903254 OYJZUZZZFHJSIM-UHFFFAOYSA-N 367.405 2.308 0 40 FEAB COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cn1 15658614 IPBYMBUCFMSEIG-UHFFFAOYSA-N 369.402 2.391 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(Cl)cc2)n1 17638004 JROQJCYVXDYQIS-NSHDSACASA-N 356.856 2.380 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(F)c2F)C3)cn1 19239061 VXUFKCGRQZLWSD-UHFFFAOYSA-N 369.375 2.372 0 40 FEAB CCc1ccccc1Nc1noc2c1CN(C(=O)c1ccc(=O)[nH]n1)CC2 19523069 OUUYDVUPAMIAFO-UHFFFAOYSA-N 365.393 2.262 0 40 FEAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2c(cnn2C)c1=O 19716265 YJXYNQILWUIYSW-INIZCTEOSA-N 371.416 2.269 0 40 FEAB Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC23CCOCC3)cc1C(=O)O 581432715 HTRVXIZQWLYHCD-NSHDSACASA-N 373.858 2.442 0 40 FEAB O=C1CSc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2N1 3042894 MRLPTHPYLCMPJZ-LBPRGKRZSA-N 356.403 2.301 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3461735 JFMHBJFDOSMNCE-UHFFFAOYSA-N 352.346 2.098 0 40 FEAB Cc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(O)c1 7450737 VNAJGBQBSHFWMQ-SFHVURJKSA-N 355.390 2.458 0 40 FEAB Cc1cn2nc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)ccc2n1 1888885504 PSGMUUXSIFIDAV-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB CCC[C@@H](CC)C(=O)N(C)CCN(C)C(=O)CNC(=O)CCC(C)C 1775989814 SGBSVGVDNPOQFI-MRXNPFEDSA-N 355.523 2.282 0 40 FEAB O=C(N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1)C1(F)CCC1 1614930864 ZTVZBYMNGNQZLG-KRWDZBQOSA-N 351.397 2.311 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)[C@]4(C)CC=CCC4)C3)C2)cn1 1565549139 QQWYLDRAHOUYKY-NQKNOSNGSA-N 356.470 2.277 0 40 FEAB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(Cc2ccccn2)C1=S 1442535 KEMMEQSPJKOUJL-INIZCTEOSA-N 368.462 2.428 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 5328921 HPZFPHBWYSESNC-UHFFFAOYSA-N 366.464 2.336 0 40 FEAB Cc1cccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)c1 36700154 RSKKFTHWVMAHLW-LJQANCHMSA-N 360.479 2.347 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 2751283 VIRLSUBVRBYDLR-UHFFFAOYSA-N 374.824 2.238 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NC2Cc3ccccc3C2)C1 4079502 KBCCVLIJGWOPKB-WMLDXEAASA-N 365.502 2.309 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(c2ccc(N3CCCC3)nn2)CC1 4583205 RNJSKMVNCUVSOP-UHFFFAOYSA-N 355.417 2.178 0 40 FEAB CCCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 6308647 GXSALYMGNGZSFY-UHFFFAOYSA-N 362.879 2.421 0 40 FEAB Cc1ccc(-c2cc(C(=O)NC3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325489 CULKNMSUZFMGAF-OAHLLOKOSA-N 359.451 2.110 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OC[C@@H]1CCCO1 22244587 LTYOJRXCMCESIZ-LBPRGKRZSA-N 362.451 2.449 0 40 FEAB Cc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)n1 12554063 ONEFBXRHVJXATB-UHFFFAOYSA-N 350.378 2.278 0 40 FEAB O[C@@H](CN1CCOCC1)CN1CCC[C@@H]1c1cccc(Br)c1 105778096 IBWHHZNUAPBVIN-DLBZAZTESA-N 369.303 2.279 0 40 FEAB CC(C)C(NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(C)C 20461638 LUENBCFDFLEWLN-OAHLLOKOSA-N 354.472 2.010 0 40 FEAB COc1ccc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1 12607310 ZYMDNGPIYUSPNA-UHFFFAOYSA-N 351.406 2.420 0 40 FEAB CCNC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(Cc2ccccc2)C1 58108428 JTQHDTLCGPXOBN-RTBURBONSA-N 372.513 2.209 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)NCCNC(=O)Cc1cccc(F)c1 58268492 JMTNQWNXMPULEP-AWEZNQCLSA-N 361.417 2.398 0 40 FEAB CCCCN1C(=O)C(=O)N(Cc2ccc(C(=O)N3CCCC3)cc2)C1=O 48252646 YYIGCJOKELNHML-UHFFFAOYSA-N 357.410 2.014 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 27836958 ZXOHFTXVMZZMCQ-RYUDHWBXSA-N 364.389 2.446 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)CC2 12809245 YNMSGDLPZUOZSF-ZIAGYGMSSA-N 368.499 2.285 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCc2ccccc21 12877431 XWMWSJFBWMBGKD-MRXNPFEDSA-N 350.426 2.060 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(C)o1 12985074 NKJLJRNAQYJRJU-UHFFFAOYSA-N 356.378 2.223 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)no1 12948423 PGBFFNBAJPXABW-CABZTGNLSA-N 361.329 2.118 0 40 FEAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3600531 QUPFEOMLVHGCIT-DIFFPNOSSA-N 351.834 2.412 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1F)c1nccn1C 17522172 YNFMGNFWTSLAPR-AWEZNQCLSA-N 364.402 2.232 0 40 FEAB CN1CCN(C(=O)CN2C[C@H](c3ccccc3Cl)OCC2(C)C)CC1 93173501 VCMARYAMBQAELJ-QGZVFWFLSA-N 365.905 2.266 0 40 FEAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1cccc(F)c1 23892675 ZOHUYBKYMLNAIQ-UHFFFAOYSA-N 371.412 2.344 0 40 FEAB CC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 6190556 BOIMVNKTUBLQAU-UHFFFAOYSA-N 360.479 2.445 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1Cl 6182701 LVERUSAVPULADE-UHFFFAOYSA-N 352.843 2.422 0 40 FEAB CN(C)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 4310261 UCUZLOZCUKBOAT-UHFFFAOYSA-N 372.491 2.487 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1O 6848326 KEMJYOYUWZTBRL-UHFFFAOYSA-N 355.799 2.265 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1 67264105 XDZGJKVQXDUURA-UHFFFAOYSA-N 354.341 2.124 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC=CCC1 7758911 MKGJKIBQZTZUGA-CQSZACIVSA-N 350.440 2.002 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc(NC(C)=O)cc1 8395108 MFKOFTIABIBUKF-UHFFFAOYSA-N 355.394 2.412 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccccn3)ccc21 9322778 KHPHYLTZVCIGJX-CYBMUJFWSA-N 359.451 2.420 0 40 FEAB O=C([C@@H]1CCn2cncc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 84367711 XNDFVUJMYPSXFX-MRXNPFEDSA-N 358.873 2.443 0 40 FEAB CN1C[C@H](C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)CC1=O 72401562 ZBUMFDTWHCMSSL-LLVKDONJSA-N 355.350 2.019 0 40 FEAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(N)(=O)=O 71796251 YMGYDIPEZWKCNR-UHFFFAOYSA-N 364.398 2.152 0 40 FEAB CCN(C(=O)CN1CCN(C(=O)OC)CC1)[C@H](C)c1ccc(F)cc1 97493367 NMUYYLUXVUQLSQ-CQSZACIVSA-N 351.422 2.119 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3CCCO)cc2C1=O 95444548 HJHNCTVAKXZMPR-OAHLLOKOSA-N 358.438 2.460 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCCN1CCCc2ccccc21 89861080 MPEOJCAZOWOQSO-CALCHBBNSA-N 370.449 2.158 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCC2)cc1Cl 20452911 QZJTWRBLAIHHAC-UHFFFAOYSA-N 373.906 2.317 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408709978 KANOFZXWLAADBU-UHFFFAOYSA-N 369.421 2.090 0 40 FEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccccc1 31853536 LXBWUMGVJIPBIQ-OALUTQOASA-N 371.433 2.279 0 40 FEAB Cn1cc(N2CCC[C@@H](N3CC[C@]4(C3)OCc3ccccc34)C2=O)cn1 186606650 IGDGNDPDNHVXLZ-UYAOXDASSA-N 352.438 2.047 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 1907676 YKWVIQPJNXTICW-ZMZPIMSZSA-N 361.394 2.184 0 40 FEAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C)(C)C 408700961 PBMPITRNGVAGRI-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(OC)c4)[C@H]3C2=O)cc1 33274046 BALCFQTUNZJSSZ-JKSUJKDBSA-N 352.350 2.202 0 40 FEAB CCc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 38756844 YYKQMMJSQMTUBL-UHFFFAOYSA-N 364.442 2.471 0 40 FEAB O=C(NCCCN1CCOCC1)c1nnsc1-c1ccc(Cl)cc1 72242933 LMOLQPAHTDSBNG-UHFFFAOYSA-N 366.874 2.311 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1F 70639712 NRXPCFQWCWMTTC-KRWDZBQOSA-N 353.415 2.410 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4cccnc4)CC3)cc2N1 71486591 KKGUICIEYMPWGY-UHFFFAOYSA-N 365.389 2.148 0 40 FEAB CCOC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218101327 RBAFYCGFHZOGBJ-CEXWTWQISA-N 361.463 2.369 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)Nc1nc(-c2ccc[nH]2)cs1 39995603 GYYAJCNVZMJIMO-UHFFFAOYSA-N 351.391 2.487 0 40 FEAB O=C(Nc1ccc(NC(=O)c2cccnc2-n2cncn2)cc1)NC1CC1 43752813 BKJCEURMNDBAKP-UHFFFAOYSA-N 363.381 2.199 0 40 FEAB Cc1cc(S(=O)(=O)N(C)c2ccccc2)ccc1OCC(=O)N(C)C 223249103 LBLQUMRVQYFQGQ-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB COc1ccc(CCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222408711 SGFTTYHOSUJBDO-UHFFFAOYSA-N 362.451 2.064 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](Oc2nccnc2OC)C1 225807003 SRFYITZMHLFXRG-GFCCVEGCSA-N 363.801 2.441 0 40 FEAB C[C@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 572776397 LKASRJMSIPUNSO-HOCLYGCPSA-N 360.483 2.217 0 40 FEAB Cc1[nH]ccc(=O)c1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 40266283 YGIRSMFYXPHTGM-UHFFFAOYSA-N 361.829 2.064 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)Cc2ccccc2)s1 225494738 VFEUMNNWFGEITQ-UHFFFAOYSA-N 368.484 2.186 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1Cc2ccccc2C2(CCNCC2)C1 96156923 NOFIEOIOGJFQOY-FQEVSTJZSA-N 364.445 2.490 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)C(=O)O)cc1 242547709 KTHITLFOFMQOCQ-BFYDXBDKSA-N 365.838 2.370 0 40 FEAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc3ccccc3s1)C2 247831686 HQBLZXWIDPQZTG-ZDUSSCGKSA-N 365.476 2.177 0 40 FEAB CN(C)CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 257314198 UVSXCRBQSRMULB-OAHLLOKOSA-N 360.845 2.259 0 40 FEAB Cc1nc(C[C@H]2CCCN(c3ccc(F)cn3)C2)cc(C(=O)N(C)C)n1 257227230 FOFHQQYBAYHWHI-CQSZACIVSA-N 357.433 2.480 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21Nc2ccccc2S(=O)(=O)N1 253597077 ZTSVAEQHXCKNOV-YIFBXAAPSA-N 350.440 2.086 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCn2nnc3ccccc32)C1 257310630 UFXSFGRGJYYLEA-HNNXBMFYSA-N 352.442 2.334 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 257202425 ALSJAFUMGIVDNK-OAHLLOKOSA-N 351.414 2.017 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCO[C@H](CCc2cc(O)ncn2)C1 257263506 LQFHXYFYUBRXPI-GOSISDBHSA-N 353.422 2.145 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)nc(C)n1 257274986 NNMUWNKVZINPBA-QGZVFWFLSA-N 351.410 2.263 0 40 FEAB Cn1ccnc1[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1N 1615589476 HQCBZGFJNPMODG-CHWSQXEVSA-N 373.507 2.101 0 40 FEAB CO[C@H](CS(=O)(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C1CC1 629331473 RWZKPQKBFJVDBB-MEDUHNTESA-N 352.456 2.323 0 40 FEAB O=C(O)c1cccnc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 647455194 QLWWFAMLISOKIB-GOSISDBHSA-N 366.465 2.176 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCc2c(C)n[nH]c2C)C1 585275545 GEAFDURQUWLQPV-HXUWFJFHSA-N 357.454 2.310 0 40 FEAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1cccc(OCc2ccccn2)c1 55647882 AGJMYBFCTCMMBE-KBPBESRZSA-N 362.451 2.271 0 40 FEAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 5977407 AMCAXAPLCQNGGI-BMRADRMJSA-N 364.405 2.427 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)n1 12117808 GVTGYXNVTRJXRU-OAHLLOKOSA-N 353.470 2.410 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cnn(C)c3C)nn2c(O)c1C 12336975 TYIUBGXOTMKWAT-HNNXBMFYSA-N 354.414 2.071 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 16681802 ITRUAJGQTUKKGA-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NCC1CCN(C2CCSCC2)CC1 239808105 KHPUDJRPNPZKDJ-UHFFFAOYSA-N 350.532 2.374 0 40 FEAB O=S(=O)(NC1CCN(c2cnc3cc(Cl)ccc3n2)CC1)C1CC1 1889138839 WDHGKTJOTSKBNZ-UHFFFAOYSA-N 366.874 2.334 0 40 FEAB C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2OC)C[C@H]1C(F)(F)F 1736616356 HCXQVQKJIPKACA-LGSVWZNTSA-N 371.359 2.176 0 40 FEAB CC1(C)Cc2cccc(OCCNC(=O)Cn3nnc4ccccc43)c2O1 36392448 OGOUWOVPQQZISX-UHFFFAOYSA-N 366.421 2.340 0 40 FEAB CN1Cc2ccccc2NC2(CCN(Cc3cncn3C)CC2)CC1=O 2037978263 LXODKRJAMCEMII-UHFFFAOYSA-N 353.470 2.229 0 40 FEAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2Cc2cccnc2)CC1 2056225077 ATUQFHABMXKJPR-SFHVURJKSA-N 351.516 2.498 0 40 FEAB CN(C)CCN1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@H]21 1565549482 XVVJZVNCFDBNEJ-VGRIIWOTSA-N 363.527 2.015 0 40 FEAB Cc1nc(C(=O)N2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cs1 1565553054 ILXZECIQLJQDNU-DYVFJYSZSA-N 359.455 2.117 0 40 FEAB COCc1ccc(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)cc1 1565553634 AODBLNPNHNHPFN-UHFFFAOYSA-N 365.433 2.445 0 40 FEAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421024 VONUWMPFTBQCBI-UHFFFAOYSA-N 359.336 2.411 0 40 FEAB COc1ccc(N2CCn3c(SCC(=O)N4CCCC4)nnc32)cc1 9574017 QJDAVTNGBUMTOU-UHFFFAOYSA-N 359.455 2.153 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCOCC1 23181804 KMYYBAQGVMPUSS-YOEHRIQHSA-N 366.508 2.488 0 40 FEAB CN(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)C1CC1 2086889432 XPCOUSCYMOAUQK-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccccc1)O2 101626460 VEBFNABZZQCFMM-AYBZRNKSSA-N 373.430 2.250 0 40 FEAB Cc1c(C(=O)NCCn2ccnc2-c2cnccn2)cnn1-c1ccccc1 575610763 YHKFFSJMYQAICR-UHFFFAOYSA-N 373.420 2.264 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575609371 BDVLJXSDCCQRKC-KRWDZBQOSA-N 370.430 2.474 0 40 FEAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(C)CC3)c(O)n2n1 22458933 JQJMZLWGDMNSTD-CQSZACIVSA-N 361.446 2.281 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCCOc1ccccc1F 40009599 LAHCITWBBBSVED-UHFFFAOYSA-N 371.416 2.398 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1cccn1 40089010 ZXCHAIYTGHTMFC-UHFFFAOYSA-N 359.393 2.086 0 40 FEAB CN(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)S(C)(=O)=O 40073903 YPFUODATCCTXMG-UHFFFAOYSA-N 366.414 2.126 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCn1cccn1 40072367 PZGLKMDVFASUNA-KRWDZBQOSA-N 358.442 2.340 0 40 FEAB COC(=O)c1cccc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)c1 31183546 SOZMTNFURVZVBM-MRXNPFEDSA-N 370.405 2.184 0 40 FEAB O=C(COc1ncnc2ccc(Br)cc12)NC[C@H]1CCCO1 2662015 DIZAKNCSYBVEGH-LLVKDONJSA-N 366.215 2.066 0 40 FEAB CCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)cc1 1343386 QBLUXRUKRCNVTH-SJORKVTESA-N 361.442 2.377 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4888605 ZBNQQULGDFNUGC-UHFFFAOYSA-N 367.490 2.321 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 7077172 QLMCWEZFSSUPSY-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB CCn1nnc2cc(C(=O)OCc3cc(=O)n4c(C)cccc4n3)ccc21 7090385 QBKQWRUFXBYOTC-UHFFFAOYSA-N 363.377 2.125 0 40 FEAB Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 108532054 RUZRTZXNRVMUPY-RDJZCZTQSA-N 352.429 2.198 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)C[C@](C)(CNC(=O)[C@H]2CCCO2)C1 102613355 WJXZXBZHONCJPI-QOIOWGMHSA-N 366.502 2.162 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c(C)s1 46812582 DDNRIVKRMFOBDM-SNVBAGLBSA-N 370.418 2.197 0 40 FEAB CCn1ncc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C 2804203 VQUHKNLAHGORFL-UHFFFAOYSA-N 373.482 2.492 0 40 FEAB Cc1cccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)n1 12527446 GNSFKPOOWGKWID-MRXNPFEDSA-N 372.450 2.092 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 828185 DJFWYFXTAHRXSJ-UHFFFAOYSA-N 351.380 2.276 0 40 FEAB CCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@H]1CCS(=O)(=O)C1 54815932 NJJIJUCFHMECKJ-ZDUSSCGKSA-N 366.483 2.272 0 40 FEAB COC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(C(=O)O)cs1 24528432 LAUWDJXZHNGHFT-UHFFFAOYSA-N 355.393 2.342 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCNc2cnccn2)C1 106135539 RSEUNDKQSXCMOW-NVXWUHKLSA-N 354.458 2.023 0 40 FEAB Cc1cc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 56088043 HDPIGSPIXILURK-UHFFFAOYSA-N 362.480 2.483 0 40 FEAB O=C1COc2ccc(S(=O)(=O)NCC[C@@H]3C[C@H]4CC[C@H]3C4)cc2N1 107337534 JPHOWRUZKPWRAN-RWMBFGLXSA-N 350.440 2.122 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@@H]2c1ccc(Cl)cc1 104138169 HOOFKUCFQZTARO-HOCLYGCPSA-N 373.844 2.302 0 40 FEAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 9349690 GITPZYVJYMCEAW-FQEVSTJZSA-N 367.380 2.396 0 40 FEAB CN(C)CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 44319537 RCZJZYCYUGRGNH-HNNXBMFYSA-N 352.431 2.147 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)NCc1cccs1 10031816 IWDYBZAJSKFFTR-NSHDSACASA-N 358.419 2.495 0 40 FEAB Cc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)n(C)n1 58203322 JRDRTGOMGNKXCT-IYBDPMFKSA-N 356.470 2.268 0 40 FEAB O=S(=O)(c1ccc(CNCC2CCCCC2)cc1)N1CCOCC1 12786121 GRPXJKSZQDHRKP-UHFFFAOYSA-N 352.500 2.377 0 40 FEAB CCN(CCCNC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 26151166 MBNCWIDCPTYOOF-UHFFFAOYSA-N 368.485 2.225 0 40 FEAB CC(C)[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(F)cc1 11295944 XUVKWXUMBQVLGP-GOSISDBHSA-N 369.400 2.082 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1cc(Cl)c2c(c1)OCCO2 28815223 HUBNSMOPZRKJPN-UHFFFAOYSA-N 372.830 2.237 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 29067624 YPUVWMYMUZIMQJ-FQEVSTJZSA-N 373.416 2.036 0 40 FEAB Nn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O 11521091 BQRWZEMSZQJXQR-UHFFFAOYSA-N 366.446 2.330 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CC)C2)cc1 408554560 CABRYPCMRZAFRN-GJZGRUSLSA-N 368.499 2.401 0 40 FEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 3600424 SVDZQHQZCPZKHF-IBGZPJMESA-N 371.824 2.423 0 40 FEAB CCN(CC)CCCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 4194893 XZBIHOLONGQCGT-UHFFFAOYSA-N 358.467 2.371 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccncc1 5047349 WEOBMBWYPXJZNX-UHFFFAOYSA-N 362.365 2.063 0 40 FEAB O=C(Nc1ccccn1)C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13734501 BDSWLYUNTVOHAY-KRWDZBQOSA-N 367.405 2.099 0 40 FEAB CCCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8764243 IPBPBXNFXKMPNT-KRWDZBQOSA-N 370.453 2.327 0 40 FEAB biogenic CSc1nc(N(CCO)CCO)c2sc3c(c2n1)COC(C)(C)C3 6758862 MVPLSWRIRLLIER-UHFFFAOYSA-N 369.512 2.056 0 40 FEAB CC(C)(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 67142230 BYWQKLHPUMNZIF-KRWDZBQOSA-N 358.482 2.452 0 40 FEAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NC(C)C)c3)n2)c1 67289564 UZOQGXYQVPCBBV-UHFFFAOYSA-N 352.394 2.398 0 40 FEAB CCN(CC(=O)NCc1cccs1)Cc1cc(=O)n2cc(C)ccc2n1 7788880 XQTYMYBDLJOAAF-UHFFFAOYSA-N 370.478 2.203 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8237120 SKEACYCFOGTXTI-UHFFFAOYSA-N 372.418 2.173 0 40 FEAB COC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 72012668 LUZRPNVLKVFPKL-SNVBAGLBSA-N 366.215 2.316 0 40 FEAB COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1cccc2ccccc12 72297734 NGFIEFPFORJUDB-CYBMUJFWSA-N 350.440 2.230 0 40 FEAB COCCCNC(=O)c1nc(-c2ccn(CCN(C)C)c2)n2ccccc12 306139630 TWEMEQSWGSHNMK-UHFFFAOYSA-N 369.469 2.131 0 40 FEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Oc1ccc(-n2cnnn2)cc1 96999618 COKXIIKRSMGYSZ-HNNXBMFYSA-N 373.413 2.357 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCCCCC2)cc1 20456899 MOCCZRNRJXUTEG-UHFFFAOYSA-N 368.499 2.159 0 40 FEAB CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H](Cc1ccccc1)N(C)C 73491642 VCESHEBUSPDJCF-KRWDZBQOSA-N 370.501 2.007 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409391395 NWMQQNQZNBXFBP-UHFFFAOYSA-N 356.488 2.367 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(CC3CC3)C[C@H]1C2 306124722 BXRYBRDQIMXSTM-ZIAGYGMSSA-N 355.417 2.184 0 40 FEAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)NCCCn1ccnc1 36635270 SJZMNNWNKMNFPB-CQSZACIVSA-N 358.423 2.048 0 40 FEAB COc1cc2ncn(CCC(=O)NCc3ccccc3)c(=O)c2cc1OC 32102331 VPWPVBNLMWXTJP-UHFFFAOYSA-N 367.405 2.120 0 40 FEAB C[C@H](CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 32847989 FQKKJJYSLJFNOK-CQSZACIVSA-N 372.446 2.006 0 40 FEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOCC 217506755 IBIKQRALHZFIDI-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB COC(=O)c1sccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 35170805 HMRFFUSSGVPCFB-UHFFFAOYSA-N 362.451 2.414 0 40 FEAB Cc1cc(C)n2nc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc2n1 35314056 BKJYSAMYNCTRBH-UHFFFAOYSA-N 363.421 2.403 0 40 FEAB O=C(c1cc(-c2cccs2)on1)N1CCN(c2cccnc2)C(=O)C1 675008319 QWYXBTSNNSBMNV-UHFFFAOYSA-N 354.391 2.287 0 40 FEAB CC(C)C(NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)C(C)C 219432629 HNVZGVVFWVIWBM-UHFFFAOYSA-N 366.483 2.408 0 40 FEAB CC(=O)N1CCC[C@@]1(CCCc1cccc(Br)n1)C(N)=O 72350895 URWQMAUOQBMGQR-HNNXBMFYSA-N 354.248 2.033 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 225923206 OFJUUIKRNMYFSN-MRXNPFEDSA-N 350.484 2.327 0 40 FEAB Cc1cccc2nc(CNC(=O)N3CCC(C)(N4CCOCC4)CC3)[nH]c12 527837225 MMVPXMWPMXMSHZ-UHFFFAOYSA-N 371.485 2.268 0 40 FEAB Cc1cc(CNC(=O)Nc2ccc(C)c(F)c2)nc(N2CCOCC2)n1 224230103 UOHYVKSODRMWRR-UHFFFAOYSA-N 359.405 2.391 0 40 FEAB CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1F 573303338 OPHJVLCUAJMSIM-BZNIZROVSA-N 364.808 2.395 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1 223022236 NHQUKOULTWSEPL-LLVKDONJSA-N 372.443 2.237 0 40 FEAB Cc1oc(C)c(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1C(=O)O 576940555 RRXAGBUHXZVERM-LERXQTSPSA-N 357.428 2.077 0 40 FEAB COC[C@H]1CN(Cc2ccccn2)CC12CCN(C(=O)c1cocn1)CC2 247839823 KKVJWXHENSMRMZ-MRXNPFEDSA-N 370.453 2.070 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1 257330711 XPPFBHGWQXGTKO-MRXNPFEDSA-N 352.442 2.491 0 40 FEAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2cccs2)c1 257313497 USUJMKBKANAMTD-UHFFFAOYSA-N 354.435 2.500 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 251921278 ASPKLDNTROMLCI-MRXNPFEDSA-N 357.410 2.277 0 40 FEAB CN1CCN(C(=O)c2ccnnc2)C[C@H](Cc2cncc3ccccc23)C1 257315374 VBBLOQLFVZMQDA-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C4CC4)n3)cc21 530156647 CQUKLZQJODXBCG-UHFFFAOYSA-N 358.423 2.385 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)[C@H](C)C2 666782728 AYIJJXWZLICZEA-MFMILTCTSA-N 373.497 2.243 0 40 FEAB NCCn1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nn1 77471916 ANTXXWWYILBQBG-KRWDZBQOSA-N 355.829 2.410 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCc3ccccc32)c1 1261272585 MKRDTRKQVNPKCB-ZDUSSCGKSA-N 362.426 2.323 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCC(c4ncco4)CC3)cc2=O)cc1 627947403 DCFWDKQZCUXWSO-UHFFFAOYSA-N 352.394 2.482 0 40 FEAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(F)c(C)c1)C2 585112111 LMRLCWCUWPIITO-ZDUSSCGKSA-N 361.417 2.445 0 40 FEAB Cc1cc(C(=O)N2CC(F)(F)C[C@]3(CCN(CC4CC4)C3=O)C2)on1 585093186 HZAIKRNIJODAKO-MRXNPFEDSA-N 353.369 2.093 0 40 FEAB COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 685208709 VNQSISUFBPRQHJ-SECBINFHSA-N 369.773 2.079 0 40 FEAB Cc1cccnc1CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78509119 NDBYWUJKASJEOX-JZXOWHBKSA-N 369.465 2.372 0 40 FEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)NCc2cccs2)CC1 85468325 NWMDGMNULMIHBV-HNNXBMFYSA-N 350.532 2.306 0 40 FEAB O=C(CCn1cccn1)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668694 MZPLSUMVLQEQMS-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB CCn1c(SCC(=O)NC2CCCCCC2)nnc1N1CCOCC1 14018148 SHHCZSDOUGSTQW-UHFFFAOYSA-N 367.519 2.066 0 40 FEAB Cc1ccc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 15402756 FJFGWVWIYMMFEX-UHFFFAOYSA-N 363.527 2.146 0 40 FEAB COc1cccc(C(=O)N2CCC(c3nn(C)c4nccnc34)CC2)c1 19289428 GPBBXEQUJNNJHC-UHFFFAOYSA-N 351.410 2.392 0 40 FEAB CCCC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 19501773 PGFXDQHRCMBDDC-RZQQEMMASA-N 370.453 2.036 0 40 FEAB Cc1nc(NC(=O)[C@@H](C)N2CCN(C3CCCC3)C(=O)C2)sc1C 19656854 AGNKQXXUMVGQTL-GFCCVEGCSA-N 350.488 2.174 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 19654500 HEKDVWZYPWMLTI-CQSZACIVSA-N 352.442 2.190 0 40 FEAB Cc1noc(CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)n1 19665210 LCFULQVJPDOJGI-UHFFFAOYSA-N 357.439 2.269 0 40 FEAB Cc1c(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cnn1C 19715520 ADJWEJRICHPDKI-UHFFFAOYSA-N 361.877 2.138 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(Cc2ccc(Br)cc2)C1)C1CC1 1889139047 AGYKPBPTXCENMI-CQSZACIVSA-N 373.316 2.495 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cncnc3)CC2)CN1c1cccc(F)c1 2037841066 VLCVCXIBBFEWPP-HXUWFJFHSA-N 370.428 2.404 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)c(OC)c1 1565547588 LTQYAKOICLXCMJ-DNVCBOLYSA-N 362.470 2.275 0 40 FEAB CNc1nc2nonc2nc1Nc1ccc(I)cc1 714196 DVZRILFOGBPLQU-UHFFFAOYSA-N 368.138 2.403 0 40 FEAB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 4784279 KIJONFRTARCKGP-UHFFFAOYSA-N 363.464 2.400 0 40 FEAB COc1ccc(-c2nnc3ccc(OCCNC(=O)C(C)(C)C)nn23)cc1 11693882 HAPMMPNECAIDNR-UHFFFAOYSA-N 369.425 2.341 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12276956 ISJGDIULGGMPOM-BLDNINTCSA-N 367.373 2.161 0 40 FEAB O=C(/C=C/c1cccs1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 2055782243 STNAJWAFEDREGS-FOSBAXRVSA-N 360.479 2.391 0 40 FEAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745896 NGIBMLOIRPELNA-ZDUSSCGKSA-N 372.425 2.239 0 40 FEAB Cc1cc2c(N3CCN(c4ccc(-c5ccncc5)nn4)CC3)nccn2n1 1775974811 RCNZTUBZQKLFTN-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB CC(C)n1c(N2CCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 23115422 KFOXUVTYAHLBQS-UHFFFAOYSA-N 367.453 2.126 0 40 FEAB COCCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21 100825271 BBSFZMDBGDKYHQ-NXVVXOECSA-N 354.453 2.065 0 40 FEAB CCc1ccccc1NC(=O)Cn1c(=O)n(C2CC2)c(=O)c2nscc21 49403938 NTKCWSAVOAASRP-UHFFFAOYSA-N 370.434 2.156 0 40 FEAB O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1 2961229 RDOMKCBIEQCASK-UHFFFAOYSA-N 354.454 2.368 0 40 FEAB aggregator CCCCCNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839515 LAIFXRBMEQCOBQ-UHFFFAOYSA-N 369.469 2.393 0 40 FEAB O=C(NC[C@H](O)c1ccc(F)cc1)c1nc(N2CCCC2)ncc1Cl 79978357 VCJCSOAZFLEXFR-AWEZNQCLSA-N 364.808 2.333 0 40 FEAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 40058185 OVOKFRPKBQGMIG-JTQLQIEISA-N 361.398 2.445 0 40 FEAB COc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1OC 40120613 OBYFKRLVGIBXTK-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB C[C@]1(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1(Cl)Cl 101219834 AYEYDGYHUVLNJJ-MEBBXXQBSA-N 355.221 2.414 0 40 FEAB CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 32350448 MOCQAQLWVNIAAQ-YJBOKZPZSA-N 362.433 2.441 0 40 FEAB CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3cccs3)sc2C1 21296749 SPPWDGAGSQHCKI-SNVBAGLBSA-N 364.496 2.340 0 40 FEAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 2621575 OYMLPFWRFZULNT-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB Cc1cc(C)n(-c2nnc(SCCCOc3ccc(F)cc3)n2N)n1 32752755 TUQXWSVKKZWILJ-UHFFFAOYSA-N 362.434 2.495 0 40 FEAB CCCCOC(=O)Cn1c(=O)n(CC(=O)OCCCC)c2ccccc21 2268358 IMPJKMBANSUSEJ-UHFFFAOYSA-N 362.426 2.490 0 40 FEAB CN(C)CCN1C(=O)[C@H](O)[C@H](c2ccc(O)cc2)Sc2ccccc21 3599454 QYKYTLTVPBXRNC-MSOLQXFVSA-N 358.463 2.495 0 40 FEAB in-vitro CSc1ncc(N2CCCC2)c(NS(=O)(=O)c2ccc(N)cc2)n1 4543158 JNXVPVLZBBULKM-UHFFFAOYSA-N 365.484 2.182 0 40 FEAB COc1ccc(C2(O)CCN(CC(=O)Nc3ncc(C)s3)CC2)cc1 4967614 VQRICDNAZGHMIA-UHFFFAOYSA-N 361.467 2.382 0 40 FEAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 6407331 BKRMPESZUAMLNO-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CC(C)CS(=O)(=O)CCC(=O)OCc1ccc(-n2cccn2)cc1 32936288 VWLHFFRLSWVUBY-UHFFFAOYSA-N 350.440 2.376 0 40 FEAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703209 YZBWAFSEYZADDN-OAHLLOKOSA-N 367.405 2.307 0 40 FEAB CCCCOc1ccc(CN2CCN(CC(=O)NC)CC2)cc1OCC 22793182 XZIOOSOGGFSWFG-UHFFFAOYSA-N 363.502 2.128 0 40 FEAB Cc1cc(C)cc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c1 9627531 NYZQPCIJFHVZCC-UHFFFAOYSA-N 350.426 2.134 0 40 FEAB CC(C)c1ccc(CN2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1 23642986 ANKJQXQGNUXTSC-UHFFFAOYSA-N 369.465 2.477 0 40 FEAB O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1nccs1 56294585 CHZXDEFFGVLRDY-UHFFFAOYSA-N 362.430 2.115 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(C)=O)c2)cc1 27468574 VBYFAQSONLDGSF-UHFFFAOYSA-N 360.435 2.369 0 40 FEAB C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22536010 BVJTYALIBAVLIC-AWEZNQCLSA-N 364.442 2.465 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C 24221801 STSKNHWCBHVLCY-UHFFFAOYSA-N 362.451 2.102 0 40 FEAB COc1ccc(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)cn1 24489601 ULOLGSCUISGATN-UHFFFAOYSA-N 366.425 2.481 0 40 FEAB CCCc1c(COC)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 22448488 WMVQPUBJPABSMZ-UHFFFAOYSA-N 360.433 2.335 0 40 FEAB CCCOc1cc(S(=O)(=O)NCCOC)ccc1Br 54363050 FXFKACPIJGUUSA-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 25095336 CJHZDXGJVQZRIH-UHFFFAOYSA-N 370.405 2.217 0 40 FEAB O=C(CSc1ccncc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12537882 XFJLMHQTYABVCA-UHFFFAOYSA-N 363.464 2.253 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccccc1 408926160 PPXBVTJXZXPOAA-UHFFFAOYSA-N 368.480 2.095 0 40 FEAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 48260497 NLXJPMACXAHMLG-IRXDYDNUSA-N 357.385 2.135 0 40 FEAB CNC(=O)c1cccc(NC(=O)COc2cc(C(=O)OC)ccc2C)c1 48332910 HWDNXVSVEZHNFJ-UHFFFAOYSA-N 356.378 2.159 0 40 FEAB O=S(=O)(NCc1ccc(-c2nn3cnnc3s2)cc1)c1ccccc1 12857134 WMMFHAQTSQHGPT-UHFFFAOYSA-N 371.447 2.331 0 40 FEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1 3497554 KXOJATGVYUSMTP-STQMWFEESA-N 358.394 2.443 0 40 FEAB CCC(CC)[C@H](CNC(=O)[C@@H]1COc2ccccc2C1)N1CCOCC1 12937247 ILBOMHRGHXZFIR-OALUTQOASA-N 360.498 2.491 0 40 FEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1 13000170 RTBDNQFWNKWHDQ-KRWDZBQOSA-N 371.462 2.066 0 40 FEAB NC(=O)COc1cccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 63886764 QEASMPXAAFCBOJ-UHFFFAOYSA-N 360.719 2.433 0 40 FEAB CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1cnccn1 4108313 FGBHIENLRYOSLT-GXDHUFHOSA-N 356.407 2.316 0 40 FEAB COc1ccc(NC(=O)C[C@H]2NC(Nc3cccc(C)c3)=NC2=O)cc1 13689326 TWJYEQJOBKFICV-MRXNPFEDSA-N 352.394 2.299 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5127308 BGXWSTQYBBQPFR-UHFFFAOYSA-N 356.422 2.484 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)cc1 13845179 KASJJJTVOFADFY-QGZVFWFLSA-N 360.435 2.040 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](C)C2 5274328 GEIXYLQGQIUGTC-LBPRGKRZSA-N 354.410 2.105 0 40 FEAB COc1cc2c(cc1NC(=O)CN1C(=O)CN(C)C1=O)oc1ccccc12 14017856 NQPXTIRKXAMDAH-UHFFFAOYSA-N 367.361 2.427 0 40 FEAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1CCOCC1 14183630 MNVQJKZGHJRHKX-HOTGVXAUSA-N 361.486 2.318 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14251169 SBWVKUBVUPFCDO-JTQLQIEISA-N 355.350 2.049 0 40 FEAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)nsc32)cc(OC)c1OC 66091691 ZTSYVDQLBOTHAU-MRVPVSSYSA-N 364.379 2.341 0 40 FEAB CCOC(=O)c1cn2c(c(N3CCN(C)CC3)nc3ccccc32)c1O 15083883 MPXHLWSBMDCYCC-UHFFFAOYSA-N 354.410 2.122 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(S(C)(=O)=O)cc1 15358943 PLIXCALZUMSGPQ-NSHDSACASA-N 357.428 2.269 0 40 FEAB O=C(COc1ccc(F)cc1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 7501943 SNHZXBVHKAAAFR-LJQANCHMSA-N 373.380 2.348 0 40 FEAB CC(=O)NCc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 9117541 NICAFWAYQJGHTB-UHFFFAOYSA-N 350.378 2.205 0 40 FEAB COC(=O)C1(CNC(=O)CSc2ccc(F)c(F)c2)CCOCC1 96005894 QQICBZJVOPSUQN-UHFFFAOYSA-N 359.394 2.143 0 40 FEAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 72033210 VYTPGZVSMOBUQR-CYBMUJFWSA-N 370.327 2.406 0 40 FEAB COc1ccc(CNC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1 9736060 IWZIKMPFQUSSMX-UHFFFAOYSA-N 368.437 2.325 0 40 FEAB Cc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 72403928 VPIJOFZSRSQCHK-NSHDSACASA-N 352.316 2.377 0 40 FEAB COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 79066809 UJHRNVYEFHJETL-RBUKOAKNSA-N 368.433 2.088 0 40 FEAB COc1ccc(S(=O)(=O)CCNC(=O)c2ccc3ccn(C)c3c2)cc1 79473584 JYXRUXWIZWIEPI-UHFFFAOYSA-N 372.446 2.391 0 40 FEAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1cccc(S(N)(=O)=O)c1 84656284 NANUFXBSXDYJDV-XZJROXQQSA-N 362.426 2.454 0 40 FEAB CC(=O)Nc1cc(NC(=O)CCNC(=O)c2ccoc2)c(F)cc1F 84774035 WIOLXTWCUWERFN-UHFFFAOYSA-N 351.309 2.275 0 40 FEAB C[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 84838913 NEXBQDDVAPGEOR-CYBMUJFWSA-N 368.474 2.077 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 95947797 ODGCQCFSLZKGTN-GASCZTMLSA-N 370.405 2.128 0 40 FEAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 306141923 WKDNTIRTICZWRY-UHFFFAOYSA-N 371.510 2.460 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 63146137 OZFIJNRSMOAGGG-UHFFFAOYSA-N 353.327 2.142 0 40 FEAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc2c(c1)OCCO2 524734133 AERLUNAFMHJLGV-ZDUSSCGKSA-N 357.395 2.124 0 40 FEAB O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1noc2c1COCC2 527604461 HODMGLGDBFRHFP-LBPRGKRZSA-N 356.300 2.230 0 40 FEAB CC(=O)N1CCC(N2CCC[C@H]2c2cncc(-n3ccnc3C)n2)CC1 72378813 GBDMFJKADSUKQL-SFHVURJKSA-N 354.458 2.119 0 40 FEAB CCC(=O)Nc1nnc(SCC(=O)NCc2ccc(OC)cc2)s1 35310828 FFIZKOAJRLIHKU-UHFFFAOYSA-N 366.468 2.304 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)n2)c(C)c1 32931678 IROGUVSJSUUFQP-INIZCTEOSA-N 371.485 2.425 0 40 FEAB Cn1c(=O)n(C)c2cc(/C=C3\CC(=O)N(Cc4ccccc4)C3=O)ccc21 71281318 JHTQWVFONHBIKD-MHWRWJLKSA-N 361.401 2.220 0 40 FEAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223124679 FPZYWZWHVMIAGE-QZTJIDSGSA-N 372.494 2.288 0 40 FEAB CN1CCC(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 225766150 YQXZXZQGYIKDAQ-JXAWBTAJSA-N 353.422 2.261 0 40 FEAB O=C(NCc1nc(-c2ccccc2F)cs1)N[C@H]1CC[S@@](=O)C1 574465706 DAAGPYXAKFOAOF-SDWAUSNYSA-N 353.444 2.269 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)c(C)c1 224203075 FJUYFTVZTFHULR-UHFFFAOYSA-N 360.483 2.481 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2cc(N3CCCC3)ncn2)nc1C 225537215 OSWXMMPSRTVJDQ-UHFFFAOYSA-N 361.427 2.271 0 40 FEAB Cc1cccc2c1ccn2CCNC(=O)[C@H](c1ccccc1)n1cnnn1 95478757 RCCBRUORYHIVKA-IBGZPJMESA-N 360.421 2.342 0 40 FEAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108887 KXBRZBYQNVUCIL-VQIMIIECSA-N 358.463 2.377 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1=CCCCC1)C2 96039587 LENVXRIJQVSSEP-UYAOXDASSA-N 350.503 2.463 0 40 FEAB O=C(NCC(=O)N1CCCc2ccccc21)NC[C@@H](O)c1ccccc1F 98119858 LNNGDJIFICQQKN-GOSISDBHSA-N 371.412 2.138 0 40 FEAB Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2CC1CC1 96230290 SFPGSSUYUQLGMA-UHFFFAOYSA-N 361.511 2.215 0 40 FEAB Cc1ccc(C(=O)N2CC3(CC[C@H](CN4CCOCC4)CO3)C2)cc1F 248087742 FRBJZPHQHHYLMB-MRXNPFEDSA-N 362.445 2.088 0 40 FEAB Cc1cccc(CO[C@@H]2CN(C(=O)c3cocn3)Cc3cccn3C2)n1 247858593 FFTBOQIHSIGCGW-KRWDZBQOSA-N 352.394 2.421 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CCOCc3ccncc3)C2)on1 253600101 HBYMYOXOBYOPIW-KRWDZBQOSA-N 367.409 2.379 0 40 FEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCOC[C@@H](Cc2ccncn2)C1 257203717 ARISPXRHQQZEDD-ZDUSSCGKSA-N 354.385 2.428 0 40 FEAB CC(C)Cc1[nH]s/c(=N\C(=O)C(=O)c2cnn(C)c2)c1Br 585079762 AITRQRMSXILFEK-SSZFMOIBSA-N 371.260 2.081 0 40 FEAB COCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 585137638 LRQRHTIIIZMGDJ-FRRDWIJNSA-N 372.391 2.253 0 40 FEAB CNc1cc([C@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)ccn1 257232864 GMSVJSXEVKCXDE-OAHLLOKOSA-N 352.398 2.489 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cscn2)C1 257326282 WWPJTTKHPHUJFG-SNVBAGLBSA-N 359.480 2.497 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cccc(C)n1 257260720 LEAPKTSHSKOTOF-KRWDZBQOSA-N 353.426 2.102 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)CN2CCC(C)CC2)ccn1 257330732 XPRCAFJEVFBERD-LJQANCHMSA-N 358.486 2.113 0 40 FEAB CC[C@H](OC)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21 255187527 FEFZJPGXCRTGFM-INIZCTEOSA-N 364.373 2.230 0 40 FEAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC2(CCO2)CC1 374404784 VWCROUBCLQZVHL-UHFFFAOYSA-N 353.440 2.452 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1 1146620712 FDGOPPBSOQZDDV-ZDUSSCGKSA-N 358.467 2.060 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cn(-c2ccc(F)cc2)nn1 628321906 MDIIABHHUFIAIO-IBGZPJMESA-N 365.412 2.079 0 40 FEAB Cc1cnc([C@H](NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C2CC2)s1 664221715 GONQAUWZMVBWCL-WCFLWFBJSA-N 357.501 2.168 0 40 FEAB Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2Cc2ccc(C)o2)n1 585095002 YWNAVWWZATVJDY-OAHLLOKOSA-N 353.426 2.426 0 40 FEAB CCN(C)C[C@@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1 585103053 BUXKLOKQAGSGKX-SFHVURJKSA-N 366.527 2.339 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21)c1cnccn1 585112367 OBYFSNUCOCVHTN-HNNXBMFYSA-N 368.466 2.112 0 40 FEAB COc1ccc(OC)c(CN(CC(=O)NCc2ccccn2)C2CC2)c1 58179380 BPEIWAKWURRJGH-UHFFFAOYSA-N 355.438 2.380 0 40 FEAB O=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2N1 84489999 UDRBXMPKDSCEHQ-UHFFFAOYSA-N 371.418 2.257 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 5979183 YYYRSXBUWZDZPR-UHFFFAOYSA-N 368.499 2.273 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859135 LOIPLWAYKJCXIZ-WWGRRREGSA-N 365.311 2.186 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[nH]2)cc1OC 19555463 KOKTYUHRAXODLK-HNNXBMFYSA-N 371.437 2.310 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 19564247 BKRCRIFNGFRGGR-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)nn(-c2ccccc2)c1C 19717238 GKCUZIVETKJCTR-GOSISDBHSA-N 354.454 2.159 0 40 FEAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1onc2c1CCCC2 612235561 LEXCQQYTMOCUGK-CQSZACIVSA-N 361.348 2.367 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)C1(S(=O)(=O)c2ccccc2)CC1 3185936 UQSGXHCGWPCRPJ-UHFFFAOYSA-N 359.403 2.403 0 40 FEAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 4333955 PYEXLWSGEGBYTM-ZETCQYMHSA-N 358.181 2.130 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1 4485188 NDLLZWBKCWVMJW-CYBMUJFWSA-N 353.378 2.205 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5253863 MRTGTQAXNHARHY-UHFFFAOYSA-N 371.780 2.475 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@@H]3C2)nc(O)c1F 1888908441 RLDNBLURKKJNIA-QWRGUYRKSA-N 372.429 2.207 0 40 FEAB CC(=O)NCCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 32621116 NNNPFTODVSSJLC-UHFFFAOYSA-N 369.373 2.134 0 40 FEAB Cn1ccc2cc([C@@H](O)CNC(=O)[C@H]3COc4ccccc4O3)ccc21 238952613 XGNHEUIOTSHNCO-QFBILLFUSA-N 352.390 2.168 0 40 FEAB O=C1COC2(CCN(CC3CCOCC3)CC2)CN1c1cccc(F)c1 2037838629 RZDVYYAHIORLBX-UHFFFAOYSA-N 362.445 2.450 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839902 DYDISXJKIOGGHI-OAQYLSRUSA-N 372.465 2.228 0 40 FEAB O=S1(=O)N=C(N2CCC[C@@H](COc3ccncc3)C2)c2ccccc21 2086992538 IVPPVSBDGNLJLY-CQSZACIVSA-N 357.435 2.322 0 40 FEAB O=C(CCc1cncnc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 1565548810 KFZZZNYFEKFWDT-HDICACEKSA-N 354.429 2.139 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4194797 PVMUOTUDLIZEAN-GHYKFQNRSA-N 364.394 2.240 0 40 FEAB COc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4497120 VTOASIXEZZNFHQ-AWEZNQCLSA-N 370.405 2.004 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cscn1 2055745689 UUESMJFKIZJVOE-NSHDSACASA-N 360.439 2.091 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1 225569451 FMXBURWBZJYQGN-QGZVFWFLSA-N 362.495 2.421 0 40 FEAB Brc1ccc(CN2CC(c3nc(-c4ncccn4)no3)C2)o1 49483067 KECTVCUXOGZEDS-UHFFFAOYSA-N 362.187 2.482 0 40 FEAB CCOC(=O)c1s/c(=N\C(=O)c2ccc(OC)cc2OC)n(C)c1C 100837607 TWKDLPMJXSRXNW-ZCXUNETKSA-N 364.423 2.330 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccncc3)ccc21 40050697 KTAQLERCBQEHGT-MRXNPFEDSA-N 364.405 2.082 0 40 FEAB C[C@@]1(NC(=O)CCc2ccccc2Br)CCS(=O)(=O)C1 50906951 WIFMZNHMJZSDKK-CQSZACIVSA-N 360.273 2.075 0 40 FEAB CCOC(=O)[C@](NCc1ccccn1)(NC(=O)c1ccco1)C(F)(F)F 20432355 MHHAEVOCOFWPRW-HNNXBMFYSA-N 371.315 2.016 0 40 FEAB C[C@H](NC(=O)[C@@H](C)OCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 31712140 HFKGCAJNZMMITP-VHSXEESVSA-N 353.362 2.235 0 40 FEAB CCOC(=O)c1c(NC(=O)CNCCCN(C)C)sc2c1CCCC2 3164079 CVUUZOKKLBZVBM-UHFFFAOYSA-N 367.515 2.283 0 40 FEAB C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC2(CCCCCC2)C1 75968267 RFHCUPSFOHHEGV-HOTGVXAUSA-N 356.532 2.115 0 40 FEAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N1CCOCC1 32910709 FNABRAGHENSHDH-AWEZNQCLSA-N 355.390 2.463 0 40 FEAB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1Cl 10541385 JXWLUOYIWRGCQQ-GFCCVEGCSA-N 374.890 2.373 0 40 FEAB CCc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 8497459 ATQRELOMVBJUFJ-OAHLLOKOSA-N 359.513 2.083 0 40 FEAB O=C(NCCOc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H]1CCCO1 59417408 DHWITYLPHNXKFC-LJQANCHMSA-N 368.433 2.144 0 40 FEAB C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCC(Cc2ccccc2)CC1 103286302 QREJJDSJYYHDCZ-VQIMIIECSA-N 357.498 2.054 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 9358423 IICLSTHDBURUGS-LVQVYYBASA-N 369.396 2.155 0 40 FEAB CC[C@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063914 CRUMSDYFBKFSDU-JTQLQIEISA-N 368.455 2.129 0 40 FEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccccc2)CC1 23822719 KADARCQAMIUHNU-OAHLLOKOSA-N 362.433 2.442 0 40 FEAB COC(=O)c1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 24247391 CPDHMGAGDHKRJG-UHFFFAOYSA-N 367.449 2.230 0 40 FEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCC2)CC1 24527812 NIRGZLIRAZWPQP-INIZCTEOSA-N 350.846 2.498 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 24659836 UVLUCSYJQHQCAX-UHFFFAOYSA-N 366.373 2.488 0 40 FEAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22522008 BSYLDJYSZTYREQ-KRWDZBQOSA-N 352.500 2.187 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCc1cccc(N2CCCCC2=O)c1 55669715 QBODHWCEFSPLGL-CQSZACIVSA-N 366.483 2.031 0 40 FEAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1ccc(F)c(F)c1 56088094 WMQHYNVEKZHUNO-UHFFFAOYSA-N 364.377 2.083 0 40 FEAB C[C@H](O)CCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 107305408 WTJYDBMHYPQFNJ-NLHAGZMESA-N 368.470 2.222 0 40 FEAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670232 PVRVWQGJNMJCTJ-DOTOQJQBSA-N 374.464 2.265 0 40 FEAB C[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)C(=O)NC(=O)NCC(F)(F)F 26398883 SQPCJIYAIQRHIW-SNVBAGLBSA-N 372.343 2.038 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1COc2ccccc2O1 58178939 IXUSAVVDPIIWNC-SFHVURJKSA-N 353.353 2.468 0 40 FEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC(C)(C)N1CCOCC1 58247056 ZVUWLOGEINDRNO-UHFFFAOYSA-N 364.534 2.316 0 40 FEAB COc1ccc(CCC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1 58213346 NWHHYXUWBFGFJX-UHFFFAOYSA-N 359.470 2.424 0 40 FEAB CNC(=O)c1cc(Cl)ccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 58209526 GAUYHBOUCCRVQJ-UHFFFAOYSA-N 363.845 2.287 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)OCc1nc2ccccc2s1 3396196 RUBNBOABRYCKFS-UHFFFAOYSA-N 367.386 2.455 0 40 FEAB NC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccc2Cl)CC1 28405968 MVCIZEMQQNKKCG-UHFFFAOYSA-N 356.817 2.171 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)cc1 3355863 KTLKELKXJOFCFB-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)C)nnc12 3375403 QQBMWYBSZQNING-UHFFFAOYSA-N 373.482 2.461 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccnc(-n2cccn2)c1 48289508 IKRSCAZQAKSXGN-UGSOOPFHSA-N 350.378 2.112 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12764805 MHARSENKIZITCT-AATRIKPKSA-N 351.457 2.363 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 3460200 XBEAUIAEXNDUOC-LJQANCHMSA-N 353.378 2.101 0 40 FEAB Cc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1 3534125 LFCRESUTNYKKSG-UHFFFAOYSA-N 350.411 2.406 0 40 FEAB Cc1cc(NC(=O)/C=C/c2cccc(F)c2)n([C@H]2CCS(=O)(=O)C2)n1 12918132 GTLLXKYOGCQJGN-NFAHFFEMSA-N 363.414 2.342 0 40 FEAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(CC2CC2)C3)c1C 69920291 HSBGNPHKHQEOLQ-UHFFFAOYSA-N 353.470 2.484 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNCc1ccc2c(c1)OCO2 63120294 CKGWWRHQFXWCSH-CYBMUJFWSA-N 367.405 2.269 0 40 FEAB O=C(CCCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCO2 8754845 RFCXXJLTCGOFNJ-UHFFFAOYSA-N 368.436 2.174 0 40 FEAB Cc1ccc(CN(C)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 14168549 IZOAZSDQNUYCSQ-UHFFFAOYSA-N 353.469 2.046 0 40 FEAB Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccnc1 14141232 JJHYTWQOFJXMOS-UHFFFAOYSA-N 359.480 2.390 0 40 FEAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc2ccccc12 14241247 PQLCFKQGXDUSMN-CYBMUJFWSA-N 361.405 2.161 0 40 FEAB O=C(Oc1ccccc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 6589775 PSNKBDDFIQDJRS-UHFFFAOYSA-N 370.430 2.453 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccsc1 6657870 SDFOPEPHVKOJMG-UHFFFAOYSA-N 357.435 2.202 0 40 FEAB Nc1cc(=O)n2c(n1)SC[C@@H]2CS(=O)(=O)c1ccc2ccccc2c1 14608556 GFLHTUIJIKTSCB-CYBMUJFWSA-N 373.459 2.099 0 40 FEAB NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 7770677 QDGMBLQWINJHRH-UHFFFAOYSA-N 366.826 2.241 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(Cl)c1 7917528 UVYQWAJPLNOZFS-JTQLQIEISA-N 363.826 2.406 0 40 FEAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@H]1CCCc2ccccc21 9478140 IYNWWBYXQFWHBN-HOCLYGCPSA-N 373.482 2.138 0 40 FEAB O=C(CCSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1 19853244 PBAWTVCSBBGOPW-UHFFFAOYSA-N 369.406 2.481 0 40 FEAB C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C(N)=O)c1ccc2c(c1)CCCC2 79057940 SUSAPIDIPZDHMP-GFCCVEGCSA-N 373.478 2.485 0 40 FEAB O=C(CNC(=O)c1ccc(Br)s1)Nc1ccc(F)nc1 95425863 PDTXXXPVMHZMOE-UHFFFAOYSA-N 358.192 2.413 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc2cc(O)ncc12 1517648935 UALZGSSOAVXSPB-CYBMUJFWSA-N 352.369 2.483 0 40 FEAB Cc1cc(C)nc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)n1 36741413 ZVLKYRRWIIWDKM-APWZRJJASA-N 368.481 2.272 0 40 FEAB CC(C)CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832430 OCDBRKSKDGCEEZ-CQSZACIVSA-N 360.863 2.029 0 40 FEAB Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72354365 MODBMFRQTBEDTL-HNNXBMFYSA-N 354.458 2.191 0 40 FEAB Cc1ccc(CN(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 225681272 YUWTVQRECZTCQS-UHFFFAOYSA-N 360.479 2.116 0 40 FEAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)c(C)c1 225585809 QAWYFYUOSIEYEK-UHFFFAOYSA-N 365.499 2.180 0 40 FEAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 40160241 QKEXYJYLGZNJNJ-UHFFFAOYSA-N 364.389 2.194 0 40 FEAB Cc1csc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 96043275 CFWZMWRJKUXDJA-IMJJTQAJSA-N 358.467 2.465 0 40 FEAB O=C(c1ccc(F)cc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259576 JUKBOGLIOHWFSC-UHFFFAOYSA-N 357.433 2.449 0 40 FEAB CN(C)c1cc(N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)ncn1 248148809 WQMRUPKUKPVACZ-OAHLLOKOSA-N 357.483 2.219 0 40 FEAB Cn1ccnc1-c1cnc(CC2CCN(C(=O)c3ccccn3)CC2)cn1 257244557 ILWJUZDYMAUQJM-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB NC(=O)c1ncn([C@@H]2CCCN(Cc3csc(C(F)(F)F)c3)C2)n1 628242701 OETOYUNIXHZFNA-SNVBAGLBSA-N 359.377 2.294 0 40 FEAB CC(=O)N(C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1F)C1CC1 277880706 GKWYQUOSUCKXRR-INIZCTEOSA-N 354.447 2.131 0 40 FEAB CN(C)Cc1ccc(-c2noc(-c3ccnc(N4CCOCC4)n3)n2)cc1 624430251 DBDROQWSVSNZRS-UHFFFAOYSA-N 366.425 2.092 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)CN(C)C[C@H]2C[C@@H](O)C2)cc1OC 626045656 WBCUUZXLCUSAOX-HYVNUMGLSA-N 362.470 2.070 0 40 FEAB CC1(C)Oc2cc(-c3cnc(N4CCC(O)CC4)nc3)ccc2NC1=O 629763269 LSGTXTCSZCFHIU-UHFFFAOYSA-N 354.410 2.214 0 40 FEAB C[C@@H](C(=O)N(C)C1CCCCC1)n1cnc2c1CCNC21CCOCC1 1615590438 PCTUURJVDKCDMW-HNNXBMFYSA-N 360.502 2.387 0 40 FEAB O=C(Cn1nnc2c1CCCC2)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 654998699 NYVJIDFXNORCKY-MAUKXSAKSA-N 358.417 2.333 0 40 FEAB O=C(O)C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)C1 296986337 PSCYZEIRFIXCFT-GFCCVEGCSA-N 351.424 2.081 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 298148551 UFDHNGKXWWOYCV-UHFFFAOYSA-N 370.449 2.458 0 40 FEAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(Cc3cc(C)on3)CC2)C1 585103618 PXXGUBVKQAAOCV-GOSISDBHSA-N 361.486 2.470 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@@H](O)C2)C3)cc1 585103578 HNEUMEMGYIVLCC-MOPGFXCFSA-N 358.482 2.073 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 585097258 HAHIFYVIIXOZIY-CQSZACIVSA-N 358.442 2.428 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCC1 585282612 LSZMBZLVCGDSOG-IBGZPJMESA-N 369.889 2.477 0 40 FEAB Cc1cc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N(C)C)n1 188284129 ZWCLFQZOJWXNML-UHFFFAOYSA-N 374.388 2.348 0 40 FEAB COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)nn1 12444083 WUCPTYKODWXYFZ-UHFFFAOYSA-N 356.426 2.235 0 40 FEAB Cc1nc2c(=O)n(CC(=O)NC3CCCC3)nc(-c3ccco3)c2s1 13010515 UJKNLVKNEUALJZ-UHFFFAOYSA-N 358.423 2.480 0 40 FEAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 18132197 VJIHSSAJFZDUIS-KRWDZBQOSA-N 362.451 2.484 0 40 FEAB CC(=O)N1CCc2nc(C3CCN(Cc4ccncc4)CC3)ncc2C1 19018911 OVYZSJLGORSRRP-UHFFFAOYSA-N 351.454 2.156 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 19765692 QVPZZEVBLUDFRD-INIZCTEOSA-N 360.458 2.111 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1CC(S(=O)(=O)NC2CCCC2)C1 679737251 GFOUYLQCZYDJAE-UHFFFAOYSA-N 374.865 2.094 0 40 FEAB O=S1(=O)CCN(Cc2nnc(-c3ccccc3Cl)o2)[C@@H](C2CC2)C1 583481579 XZXDBIUWFULGOR-CQSZACIVSA-N 367.858 2.399 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nn1 1888856476 AREOBPRIYOLALZ-HZPDHXFCSA-N 351.454 2.378 0 40 FEAB O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)Nc1ccc(Cl)cc1 4313439 RAAFGOLVGZIOJZ-UHFFFAOYSA-N 369.808 2.350 0 40 FEAB O=C(Cc1cccs1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987535 YQMIJGCYSSURFH-LBPRGKRZSA-N 358.419 2.189 0 40 FEAB O=C(CC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(F)c(F)c1 15826721 PTBUFISDBLXHHN-UHFFFAOYSA-N 351.334 2.316 0 40 FEAB O=C(NCc1nc(C2CCOCC2)no1)c1ccc(Cn2ccnc2)cc1 575615810 GIGJPTCBFAXANN-UHFFFAOYSA-N 367.409 2.138 0 40 FEAB Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)n1 618254671 CQQLXBSRTRUTJJ-INIZCTEOSA-N 353.426 2.426 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NCCS(=O)(=O)Cc1ccccc1 40089964 OJIMXSHEOASHMX-UHFFFAOYSA-N 371.462 2.227 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)Cc1cn2ccsc2n1 32754006 BHNAGFPZVUQHSR-UHFFFAOYSA-N 358.423 2.010 0 40 FEAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2oc(=O)ccc2c1 32755027 KMZOQUZXXNBELX-UHFFFAOYSA-N 360.343 2.347 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)OCCN1C(=O)c2ccccc2C1=O 4836425 JMDWCCZMTREGRJ-SOFGYWHQSA-N 365.341 2.268 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(F)ccc1F 4940652 DOQOCYWDXMCILW-UHFFFAOYSA-N 366.345 2.138 0 40 FEAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C 102614672 CZFRBNRMYDNMLM-LNMJFAINSA-N 369.417 2.060 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 32910807 OECCKYZUDMCALK-OAHLLOKOSA-N 371.437 2.360 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCN(Cc3cccnc3)CC2)n1 46743900 CJBAICSLTVQJNQ-UHFFFAOYSA-N 357.458 2.255 0 40 FEAB COCCCNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195305 VEPITVHYILYSAY-UHFFFAOYSA-N 360.863 2.036 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 33585444 OJJVXOQKRGGSGH-IAGYGMIVSA-N 369.465 2.172 0 40 FEAB O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 12409996 MPORTXDOKGHMCC-CQSZACIVSA-N 369.402 2.191 0 40 FEAB O=C(N/C(=C\c1ccc(O)cc1)C(=O)N1CCOCC1)c1ccccc1 12436639 GZCVWFANHLOMNU-JXAWBTAJSA-N 352.390 2.022 0 40 FEAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1 9939383 KCBMQZIWDVHSDA-CHWSQXEVSA-N 370.858 2.140 0 40 FEAB Cc1ccc([C@@H](CN2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 23995297 DYEAHUOMMQJPKJ-LJQANCHMSA-N 364.453 2.456 0 40 FEAB COc1ccc([C@@H]2N=C(N)NC3=Nc4ccccc4[C@H]32)c(OC)c1OC 100855728 FGSKGRHSNQNBAW-GJZGRUSLSA-N 352.394 2.499 0 40 FEAB COc1ccc([C@@H](C)O)cc1CC(=O)Nc1ccc(N2CCOCC2)nc1 24763823 YFAMJXMFNFYACZ-CQSZACIVSA-N 371.437 2.161 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(C)C)cc2)C1 58371224 GKBFDLYNZFRWJU-CQSZACIVSA-N 354.472 2.474 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)n1 56291467 BXPAYYRCPFCEDG-UHFFFAOYSA-N 353.422 2.216 0 40 FEAB Cc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)nc1 56723240 DWQNXSOWIYSMMO-VZUCSPMQSA-N 357.435 2.483 0 40 FEAB CC[C@@](C)(CNC(=O)Nc1ccc(N2CCCC2)nc1)N1CCOCC1 48086411 HEYLVBXDZXBQIR-IBGZPJMESA-N 361.490 2.304 0 40 FEAB CCCCNC(=O)NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 57352189 ZMSDXIMDRKVRDY-CQSZACIVSA-N 353.488 2.355 0 40 FEAB Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1 72272907 HDJVYFBPRGJYBE-WMZOPIPTSA-N 359.401 2.105 0 40 FEAB NC(=O)C1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 58231276 QMDCTBSREMNXTA-UHFFFAOYSA-N 365.231 2.196 0 40 FEAB COCCOc1ncccc1C(=O)Nc1ccn(CCc2ccncc2)n1 58213054 ZREQYYRSODSCFC-UHFFFAOYSA-N 367.409 2.193 0 40 FEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1 58202820 KYYGPIGSRFEVDV-SFHVURJKSA-N 365.433 2.030 0 40 FEAB Cc1c(CC(=O)NCC2CCC(C(=O)O)CC2)c(=O)oc2cc(O)ccc12 2108268 HYVLYSMWAYMBEH-UHFFFAOYSA-N 373.405 2.357 0 40 FEAB biogenic O=C1CCc2cc(OC(=O)[C@@H]3CCCN(c4ncccn4)C3)ccc2N1 45235858 SWFXXOXCOWCYTI-CQSZACIVSA-N 352.394 2.183 0 40 FEAB CCn1c(-c2ccccc2)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S 12813286 LVQHEBSPSWIQAU-CQSZACIVSA-N 366.512 2.177 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 12866298 IKVAEQMZEHBXNB-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc(F)c1 3492575 NNOOWMYXVCKWLH-LICLKQGHSA-N 356.353 2.485 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cccc(C)c2O)cc1 3457683 LDWYGAYLDQBDMV-UHFFFAOYSA-N 370.405 2.263 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(Cl)c1N 8984720 ORGZMOXVXMWXTP-UHFFFAOYSA-N 362.769 2.044 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2nc(O)c(C)nn12 4251403 OSDURKOSNNRCTG-UHFFFAOYSA-N 364.818 2.226 0 40 FEAB O=S(=O)(Nc1ccccc1Br)c1ccc2no[n+]([O-])c2c1 13724159 DBGFNXGVYOVBEN-UHFFFAOYSA-N 370.184 2.025 0 40 FEAB Cc1ccc(CN(C)C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5184266 NSOOYXNPAJQJDG-UHFFFAOYSA-N 365.389 2.047 0 40 FEAB CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O 5207902 VVNTVNOXFHWOOH-UHFFFAOYSA-N 368.264 2.495 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CN2CCC(C(=O)c3ccccc3)CC2)C1=O 14122342 ZMWZUNCDWMHNDC-HXUWFJFHSA-N 355.438 2.259 0 40 FEAB COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cc1F 6719534 PEWCJRQVOXRVMY-NSHDSACASA-N 357.337 2.467 0 40 FEAB Cc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N 6753789 IJLHSKHSNDYDHF-UHFFFAOYSA-N 350.382 2.060 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 9156271 NGZWWNABKJCVHR-NSHDSACASA-N 366.414 2.233 0 40 FEAB Nc1nc(N)nc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 7112405 DQNQJFLIQWNRBE-UHFFFAOYSA-N 358.406 2.061 0 40 FEAB CCc1cccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 7807597 KGHNBDOYPBNBGK-UHFFFAOYSA-N 363.417 2.259 0 40 FEAB CCCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 7974405 PSTYVOBHFHTLLC-SFHVURJKSA-N 368.389 2.349 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC(=O)Nc2ccccc21 7990538 GHQRZHAUDSWNEU-NSHDSACASA-N 357.797 2.444 0 40 FEAB CNC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8033728 OXEXNQPSNGFZBH-HNNXBMFYSA-N 355.419 2.488 0 40 FEAB CC(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 8538203 RHFAKTRASVVKBY-UHFFFAOYSA-N 371.437 2.150 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(-n3ccnn3)c2)c1 83984743 WLAPXGAZTFLZBR-UHFFFAOYSA-N 356.407 2.064 0 40 FEAB CO[C@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 1548451626 FXLGIXADXFEZLP-JOCQHMNTSA-N 355.232 2.361 0 40 FEAB COC(=O)Nc1cccc(C(=O)OC[C@@H]2CNC(c3ccccc3)=NO2)c1 79063089 YBCOGVFQMLCGSD-INIZCTEOSA-N 369.377 2.372 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1 35876482 NTUKPSYPNBWTMB-RTBURBONSA-N 355.482 2.141 0 40 FEAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N[C@H]1CCS(=O)(=O)C1 524734935 KMHVMGMXLGINLN-JKSUJKDBSA-N 366.870 2.424 0 40 FEAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)cc1 526834998 RMEJOKJAXWRJNZ-SANMLTNESA-N 374.418 2.019 0 40 FEAB COc1cc(CCC(=O)N[C@@H](Cn2c(=O)oc3ccccc32)C(C)C)on1 72324356 YTEGAWGHAZHPNU-AWEZNQCLSA-N 373.409 2.365 0 40 FEAB COCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1 72362274 BXGHMWVJNWTXIU-UHFFFAOYSA-N 370.457 2.055 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1[C@@H](c2cn(C)nc2C)n2ncnc2N[C@@H]1C 36621303 SGRFVIXPKCOOOH-XOKHGSTOSA-N 365.441 2.287 0 40 FEAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@@H](C)Cn1nccc1C 36615051 YRQOZMKZYJIPHL-SECBINFHSA-N 361.418 2.015 0 40 FEAB CO[C@@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@H](C)O4 13374243 NOAOQFJXKUUYHO-FHZGZLOMSA-N 372.373 2.332 0 40 FEAB biogenic COc1ccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)cc1 70895849 PWHLDBHIJGPQDG-UHFFFAOYSA-N 368.437 2.062 0 40 FEAB Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1N(C)S(C)(=O)=O 222481900 PBIWBIZDPTYSGY-UHFFFAOYSA-N 350.415 2.460 0 40 FEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(C)=O)C[C@H]2N(C)C3=O)c1 514289821 OXDBSHPNVLMMST-QUCCMNQESA-N 366.417 2.426 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)NCCc2ccc(F)cc2)ccc1NS(C)(=O)=O 224086933 VRFUBFMXLMAVPL-UHFFFAOYSA-N 350.415 2.478 0 40 FEAB O=C(C1CCOCC1)N1C[C@H](OCc2nc3ccc(F)cc3[nH]2)[C@H](F)C1 96112043 PTLYGNZUPZWFRY-CJNGLKHVSA-N 365.380 2.194 0 40 FEAB biogenic,in-vitro Cc1ccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96240804 IFHYOLVTVQURFB-SFHVURJKSA-N 356.466 2.390 0 40 FEAB Cc1cc(C(=O)NCc2nc(-c3ccccn3)n[nH]2)nn1[C@H](C)C1CC1 584513845 SGQXMSMVKNDDLE-GFCCVEGCSA-N 351.414 2.273 0 40 FEAB O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108878 RAGMOFKZELEKRG-TZIWHRDSSA-N 352.434 2.316 0 40 FEAB Cn1cc(CN2CCc3ncn(C)c3[C@H]2COCc2ccccc2)cn1 96187729 QVDAKGSVAIYHML-LJQANCHMSA-N 351.454 2.470 0 40 FEAB COc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)cc1 96061488 YMJJHWZDPLUSKG-SFHVURJKSA-N 354.454 2.067 0 40 FEAB CN(C)C[C@H]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)OC1 248120963 NCOFEKAWENJSRC-CYBMUJFWSA-N 358.891 2.071 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257203267 APGZKYSZRZEVHT-MRXNPFEDSA-N 352.504 2.338 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@H]1COc2ccccc2O1 252538965 NNVBONDUQBZYSM-CKEIUWERSA-N 373.384 2.262 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2noc(C)c2COC)C1 257200300 ACULVQFEGHXIIY-ZDUSSCGKSA-N 359.430 2.056 0 40 FEAB CNc1ncccc1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 257217771 DANWLNCXERKNIU-UHFFFAOYSA-N 354.502 2.430 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cccnc2)C1 257274305 NKKVIVLCSFQPLL-CYBMUJFWSA-N 353.451 2.435 0 40 FEAB CC(=O)NCc1cn(-c2ccccc2C(=O)N2CCC(F)(F)CC2)cn1 257201258 AGXAROBKSBJDIC-UHFFFAOYSA-N 362.380 2.380 0 40 FEAB Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257333574 YCDAODXCSDQYDK-ZHALLVOQSA-N 359.426 2.048 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 257327149 XAESYJVHZVEIAR-INIZCTEOSA-N 357.414 2.201 0 40 FEAB CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257284291 PCBPQLCAZKGVKI-BRWVUGGUSA-N 352.862 2.026 0 40 FEAB CO[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 257204487 AUVOHRPLIQOFHU-RHSMWYFYSA-N 356.369 2.106 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2ncccn2)CC1 85557113 YPQSABZQFZHPOL-UHFFFAOYSA-N 351.362 2.267 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ncnc2ccsc12 1130225395 GNHXJMWTTWVATB-AWEZNQCLSA-N 352.419 2.004 0 40 FEAB CC(=O)N1CCc2cc(C(=O)N3C[C@H](N)CC[C@H]3C(F)(F)F)ccc21 644808012 SKJMPTXBFLFLIQ-HIFRSBDPSA-N 355.360 2.090 0 40 FEAB CCOC(=O)c1cnc2cc3c(cc2c1N1CC[C@@H](F)[C@H](N)C1)OCO3 596029827 CBNBFWQPLOSKTJ-CHWSQXEVSA-N 361.373 2.016 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)N[C@@H](CCc2ccccc2)c2ccccn2)CCO1 635521716 YXAUOUUAWVMOQS-ROUUACIJSA-N 369.421 2.251 0 40 FEAB CCN1CCN(C(=O)Cc2ccc(OC(F)F)cc2)C[C@]12CCOC2 1615589730 RJSNKYJCOFKGFP-SFHVURJKSA-N 354.397 2.154 0 40 FEAB Cn1cc(CC(=O)Nc2nc3c(s2)C(=O)NCCC3)c2ccccc21 96124379 DNPHYBQPODPLAC-UHFFFAOYSA-N 354.435 2.492 0 40 FEAB C[C@H]1COc2ccccc2CN1C(=O)Cn1c(=O)n(C)c2ccccc21 679863036 WYDVCSOAERVDKS-AWEZNQCLSA-N 351.406 2.150 0 40 FEAB CCOC(=O)CN(CC(C)C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 58776538 UDRBTKNYABGPLI-UHFFFAOYSA-N 359.426 2.217 0 40 FEAB O=S(=O)(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccs1 58179666 PWCIWYKUGIDWDD-OAHLLOKOSA-N 370.471 2.239 0 40 FEAB CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 58307003 ISHAJWOPGWMCJK-GJZGRUSLSA-N 374.481 2.443 0 40 FEAB O=C(CN1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCCCCC1 105697082 XIBPVQJXYUBKNP-UHFFFAOYSA-N 371.407 2.020 0 40 FEAB O=C(CSc1ncccn1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 90590745 CZKVVSTYFOUTPV-VIFPVBQESA-N 373.360 2.377 0 40 FEAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccccc3Cl)no2)cn1 96001758 GSXTYQJAMFUGCZ-CQSZACIVSA-N 373.800 2.337 0 40 FEAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1C)c1ccc2c(c1)OCO2 12203696 IRIUECWPGMNQRF-MRXNPFEDSA-N 356.426 2.059 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@H]2c2cc3nc(C)cc(O)n3n2)on1 12337033 WLQZPUHKSNZDKP-CQSZACIVSA-N 371.397 2.036 0 40 FEAB Cc1nccc(-c2sc(C3CCN(S(C)(=O)=O)CC3)nc2C)n1 12667969 GFFWCIUSIJRZCV-UHFFFAOYSA-N 352.485 2.356 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCN1CCCCCC1 13717418 CEFHSWBKSJCOIB-UHFFFAOYSA-N 357.454 2.055 0 40 FEAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccccc1C(F)(F)F 16084846 DFHTVKUEIRJGHH-UHFFFAOYSA-N 370.312 2.449 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC34CCC4)ncc2C1 19018457 FYRGWTCRPJSEAY-NVXWUHKLSA-N 354.454 2.235 0 40 FEAB CCCN1CCC(CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 19502615 BWFPDPHGCOAHAK-UHFFFAOYSA-N 365.861 2.486 0 40 FEAB CCc1n[nH]c(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1C 19520965 ISWQPASHJDAKPX-UHFFFAOYSA-N 368.485 2.078 0 40 FEAB COc1cccc(OC)c1NC(=O)CN1CCN(Cc2ccccc2)CC1 19567175 LTFIVFXLIAHHBF-UHFFFAOYSA-N 369.465 2.460 0 40 FEAB CCN1CCN(C2=C(Cl)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 19911947 ABWCFOLYAGBBIS-UHFFFAOYSA-N 372.227 2.440 0 40 FEAB O=C(O)/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)c1cc(Cl)ccc1N=2 6475883 KKFKCNHJGXTYEG-MBSJSRAVSA-N 370.817 2.331 0 40 FEAB CCn1c(SCC(=O)N2CCC(C)CC2)nc2c(c1=O)SCC2 9560249 ZIICESBGCYGMMJ-UHFFFAOYSA-N 353.513 2.262 0 40 FEAB CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](/C=C/C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 252506083 OZESVNMBZAEFCX-HVKCDQMCSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro CNc1cccc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 1848353846 HTUDSGJLMNPBOH-MRXNPFEDSA-N 355.394 2.108 0 40 FEAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1 23759829 UVVHSAIDTVVROP-UHFFFAOYSA-N 370.438 2.067 0 40 FEAB Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21 244950841 FNTPRNJYFBXYBY-GOSISDBHSA-N 372.446 2.125 0 40 FEAB O=C(c1cncnc1)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056224562 VKUPKNNIEDPSGE-FQEVSTJZSA-N 351.454 2.390 0 40 FEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)CC1CCCC1 1138869161 OJINYYKDNDNJDY-UONOGXRCSA-N 358.504 2.354 0 40 FEAB O=C([C@H]1CCOC1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1565553629 GMHXTQOMFBKJGS-HNNXBMFYSA-N 353.422 2.205 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)cn1 1565555081 QQKUNDYAUGWBDB-UHFFFAOYSA-N 350.422 2.256 0 40 FEAB Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)nc(C2CC2)n1 2086887043 SVXVOFFHEQJAAB-CQSZACIVSA-N 350.488 2.055 0 40 FEAB Cn1cc(-c2cnc3n2C[C@]2(COCCN(Cc4cccs4)C2)C3)cn1 503734384 MASLNWNOOWAULU-IBGZPJMESA-N 369.494 2.420 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cccnc2)C(=O)C1 585150168 IHFSEKTUENPOPY-UHFFFAOYSA-N 365.842 2.081 0 40 FEAB Cc1nc2ccccc2nc1N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 2298055248 XKHQVZFCQDGHJQ-UHFFFAOYSA-N 365.437 2.334 0 40 FEAB CCCCCN[C@@H](CC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O 4280092 VWGMVRFPNAXIBB-HNNXBMFYSA-N 350.415 2.425 0 40 FEAB O=C(CSC(=S)N1CCOCC1)Nc1ccc(C(F)(F)F)cn1 215704895 MQKFWQLMVZPLME-UHFFFAOYSA-N 365.402 2.389 0 40 FEAB CN(CCCNC(=O)C(c1ccccc1)c1ccccc1)S(C)(=O)=O 40089393 UWWFWTVPZOCLHW-UHFFFAOYSA-N 360.479 2.216 0 40 FEAB C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)CCO1 40024230 XTFNUMCNGIZVOM-CYBMUJFWSA-N 357.410 2.109 0 40 FEAB CC(C)Oc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 40092289 IBXPYMVQABVODH-OAHLLOKOSA-N 357.497 2.010 0 40 FEAB COc1ccc2cnn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1OC 40267896 HNWXUXUFOGHBFX-UHFFFAOYSA-N 367.405 2.072 0 40 FEAB CN(C)S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20218496 CYFMILUDHXXIHD-UHFFFAOYSA-N 359.495 2.200 0 40 FEAB O=C(CNC(=O)c1ccc(Cl)cc1)NCCN1CCc2ccccc2C1 46575502 VXXJDEZEFHHRNO-UHFFFAOYSA-N 371.868 2.244 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32754944 YMJYNWJDJNJMEO-UHFFFAOYSA-N 373.386 2.405 0 40 FEAB Cc1nn(C)cc1NC(=S)NCCn1nc(C)c(Br)c1C 2798156 UGRDGNQJYIOFTM-UHFFFAOYSA-N 371.308 2.291 0 40 FEAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCc1cccnc1 6876263 KATKMPDZTUCAIR-UHFFFAOYSA-N 367.361 2.298 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)NCc1nc2ccccc2s1 32986087 UQNYXQCNKJTNMV-UHFFFAOYSA-N 350.403 2.323 0 40 FEAB NS(=O)(=O)Cc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 58441958 LCZRSFWCCSPJBU-UHFFFAOYSA-N 372.368 2.424 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1 47373912 AEFXEIURUOZRSS-UHFFFAOYSA-N 369.377 2.479 0 40 FEAB Cc1nc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cs1 9367336 BKTVEBNMSLWJIM-AWEZNQCLSA-N 356.411 2.059 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccco2)c(C)c1 802506 WROCWOAQGPWPDZ-UHFFFAOYSA-N 350.440 2.142 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102592302 AJQFNZOUZGKTMC-GZXFCSGKSA-N 350.418 2.377 0 40 FEAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2nccs2)CC1 54635975 ALFFUJFUTKFUNS-AWEZNQCLSA-N 353.875 2.358 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 3204714 OCKZDKNMEUQGEQ-LBPRGKRZSA-N 374.890 2.279 0 40 FEAB CCN1C[C@H](CN(C)C(=O)[C@H](C)NC(=O)c2ccoc2)Oc2ccccc21 106105310 LOMMSZABWXPZJS-HOCLYGCPSA-N 371.437 2.144 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)cn1C 56106612 VDKIXWVTCJTPER-UHFFFAOYSA-N 365.455 2.111 0 40 FEAB CNc1ccccc1C(=O)[C@@]1(C)[C@@H](C(=O)NC(C)C)[C@H]1C(=O)NC(C)C 100219823 OQOWWWWQXCSIFW-IGOJGBNBSA-N 359.470 2.213 0 40 FEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 48251373 KPJMONPPXWCGOB-IIAWOOMASA-N 368.499 2.123 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)NCc3nnc4ccccn34)cn2)n1 48212486 GCLNZYJNPVEWCO-UHFFFAOYSA-N 362.397 2.249 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)c(C)c2)CCO1 58208532 WFAIRTCPDFRSLW-HNNXBMFYSA-N 361.471 2.009 0 40 FEAB COc1ccccc1Nc1nnc(SCc2ccccc2)n(N)c1=O 28536063 NCOJYMZQUDIPMS-UHFFFAOYSA-N 355.423 2.397 0 40 FEAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 48355690 RSHVUFGIVXGODI-QMMMGPOBSA-N 354.762 2.250 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451471 ORRORHVNHDBOGH-ZDUSSCGKSA-N 354.497 2.374 0 40 FEAB COC(=O)c1sccc1NC(=O)CSc1nnnn1C1CCCC1 11621979 BWPASCQQPLFYHT-UHFFFAOYSA-N 367.456 2.367 0 40 FEAB CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3509969 YVFIJJGUVKQNNG-UHFFFAOYSA-N 355.394 2.116 0 40 FEAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OC(F)F 3603509 XXECCJBJOUXHIS-UHFFFAOYSA-N 364.352 2.049 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](CSCNC(=O)Cc1ccccc1)C(=O)O 38932789 PJBKUXHWPDGAQA-ZDUSSCGKSA-N 368.455 2.014 0 40 FEAB CN(C)C(=O)N1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 63734575 TVEKAPNNZZKTAX-UHFFFAOYSA-N 362.430 2.389 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccncc1 4271594 DGXNRHOAPBHXCX-QGZVFWFLSA-N 367.380 2.434 0 40 FEAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 14139508 RSVOGLYOUCOYOZ-LJQANCHMSA-N 355.369 2.256 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1 14159524 XHHQRQCLBZZDBD-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 14185225 ANKQOYXPZZIUTR-CABCVRRESA-N 360.454 2.494 0 40 FEAB COc1ccc2oc(C(=O)OCC(=O)NC(=O)NCC(C)C)c(C)c2c1 4524849 NRJPGTDRWZBWCY-UHFFFAOYSA-N 362.382 2.388 0 40 FEAB CN(Cc1ncc(-c2ccccc2Cl)o1)C[C@@H](O)CN1CCOCC1 83245242 JJZIFRFFJLZBNJ-CQSZACIVSA-N 365.861 2.120 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCCC1 9226271 YDGCHHLYJPKZGX-LBPRGKRZSA-N 374.890 2.418 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(Cl)c1Cl 15520106 GKVJRVRVKUMUMT-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB COc1ccc(CCNC(=O)c2cnn(-c3ccccc3)n2)cc1OC 8276734 MAYQPLLQGIPXGX-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2OCCN(CC)C2=O)cc1 8570022 JIYSPLOQWBPFQD-INIZCTEOSA-N 362.426 2.219 0 40 FEAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 78952548 CJIJWYKCUNUQPM-STQMWFEESA-N 352.394 2.382 0 40 FEAB COCCOc1ccc(NC(=O)c2ccc(-n3cncn3)nc2)cc1F 97680381 KJYXVKUCYZYISQ-UHFFFAOYSA-N 357.345 2.079 0 40 FEAB Cc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)c(C)c1 95951289 ZMRDAVNQQDXLCI-UHFFFAOYSA-N 354.458 2.037 0 40 FEAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)O)C1 95969513 BQLYBJYWDIDOGK-NEPJUHHUSA-N 368.430 2.209 0 40 FEAB Cc1noc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)n1 74285443 XIJOPTOORAZWML-UHFFFAOYSA-N 351.366 2.226 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NCc1ccc(F)cc1 23053537 VAJOMJXEBMHWOD-CYBMUJFWSA-N 368.368 2.268 0 40 FEAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CCOC)C1=O)OCO2 409139624 BPNPMPPVDVEYCU-VGOFMYFVSA-N 351.380 2.497 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N3CCOCC3)C(=O)[C@H]2C1 408685500 QVQXZXTWLWIOAL-HOCLYGCPSA-N 354.406 2.005 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(=O)O)c(C)c2oc1=O 2099314 CILMVYLOUANTLX-AWEZNQCLSA-N 359.378 2.173 0 40 FEAB biogenic Fc1ccc(Cn2nnnc2CN2CCN(Cc3ccccc3)CC2)cc1 35310877 WRBHEPVKRFPXLX-UHFFFAOYSA-N 366.444 2.178 0 40 FEAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc(N2CCOCC2)cc1 79464499 BZSSLGDNFXIKHR-UHFFFAOYSA-N 371.437 2.118 0 40 FEAB CN(C)CC(=O)N1CCC[C@H](c2nc(N)ncc2-c2cccc(F)c2)C1 72346180 FUSKHGQHPXOCAZ-AWEZNQCLSA-N 357.433 2.133 0 40 FEAB CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)CCc1ccccc1 543382934 AUDYOMZCZGOGHH-DLBZAZTESA-N 364.511 2.188 0 40 FEAB C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 36741224 HSRVVQUOOKUHQL-KSSFIOAISA-N 352.500 2.164 0 40 FEAB COc1ccc2nnc(CCCC(=O)N3CCc4ccccc4C3)n2n1 79494541 CXIBLKRIWXRNCY-UHFFFAOYSA-N 351.410 2.041 0 40 FEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222873036 MXIIRBOZDKYPAR-INIZCTEOSA-N 370.449 2.280 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1OC 225183227 PTWURRAVBKTDKW-HNNXBMFYSA-N 356.422 2.237 0 40 FEAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cccnc1 75161874 FXDVGCFXKKZKSI-UHFFFAOYSA-N 360.421 2.451 0 40 FEAB CCCn1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)ccc1=O 48382663 RJPFCUHRMNQARB-UHFFFAOYSA-N 350.396 2.066 0 40 FEAB COc1cncc(O[C@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)n1 225391788 AKOKJKWTGRZXDI-LBPRGKRZSA-N 356.407 2.388 0 40 FEAB CCN(CC)CCOB(OCCN(CC)CC)OCCN(CC)CC 195754154 ABOONHRSRSSLNZ-UHFFFAOYSA-N 359.364 2.047 0 40 FEAB COc1cccc(OC[C@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 95117188 IGFKSDLHDHJDES-OAHLLOKOSA-N 369.414 2.040 0 40 FEAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)Cc3cccs3)CC2)N1 96069779 SMQAYUXXTATAQU-MRXNPFEDSA-N 355.463 2.351 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)nc(C)n1 257323203 WJDYAYXBFQRXEB-HNNXBMFYSA-N 359.430 2.133 0 40 FEAB O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 42105857 JCOXLKKADYKLSV-UHFFFAOYSA-N 370.780 2.028 0 40 FEAB COc1ccc(F)cc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 257216475 CUQPHQMIFPHTQE-MRXNPFEDSA-N 359.401 2.407 0 40 FEAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)Cn3cccn3)CC2)C1 257268286 MLACFZOGQVWKEV-GOSISDBHSA-N 372.444 2.309 0 40 FEAB Cc1cc(C[C@H]2COCCN(Cc3ccc4c(c3)OCCO4)C2)ncn1 257257855 KRJCPRARLKTLDJ-QGZVFWFLSA-N 355.438 2.247 0 40 FEAB O=C(O)c1cccc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1 263416610 OALBVQHMGLYJCF-SFHVURJKSA-N 366.465 2.176 0 40 FEAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2cncn2c1 616215860 RMBHULDCGWMUQO-IAGOWNOFSA-N 353.426 2.335 0 40 FEAB Cc1cn2c(n1)[C@@H](CN[C@H]1CCCc3ccc(S(N)(=O)=O)cc31)CCC2 685648296 LBRCDRGVXQTUQY-QAPCUYQASA-N 374.510 2.384 0 40 FEAB O=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccc(Cl)s1 96103912 QPLQBWLTMGWHIS-UHFFFAOYSA-N 369.859 2.034 0 40 FEAB CCc1ccc(S(=O)(=O)N([C@@H](C)CC)[C@@H]2CCS(=O)(=O)C2)cc1 575420757 KJVUGKUZAIIDON-DZGCQCFKSA-N 359.513 2.225 0 40 FEAB C[C@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)C1CC=CC1 585097304 JYAGMFIWCXTONZ-LBPRGKRZSA-N 357.389 2.261 0 40 FEAB OC1CN(Cc2cc(C3CC3)no2)CCN(Cc2cc(C3CC3)no2)C1 585094296 DVLZJDYUSDKXJK-UHFFFAOYSA-N 358.442 2.096 0 40 FEAB C[C@@H]1c2ncc(CCOCc3ccccn3)n2CCN1Cc1cn[nH]c1 585097002 DJYZKVSLLLWTGB-OAHLLOKOSA-N 352.442 2.337 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]12)N1CCCCC1 585109643 YIHWVWNYRIVGJC-OAGGEKHMSA-N 352.450 2.145 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)c1ccco1 585112586 TWHRZOUSWDZCFR-INIZCTEOSA-N 351.410 2.248 0 40 FEAB Cc1cc(C(=O)COC(=O)C2CCC(NC(N)=O)CC2)c(C)n1C1CC1 64095578 XVMBVWNXGODDRV-UHFFFAOYSA-N 361.442 2.393 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](CNC(=O)OCc2ccccc2)[C@@H](O)C1 83749807 KKRRFIHAVBPQQX-GJZGRUSLSA-N 350.415 2.141 0 40 FEAB CCCc1cc(C(=O)NCCN2CCC(O)(c3ccc(C)cc3)CC2)[nH]n1 12116967 MEGOUYSTYDHUJZ-UHFFFAOYSA-N 370.497 2.384 0 40 FEAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1(C)C 14246235 AAFZBCPFVZMSQO-HOTGVXAUSA-N 350.484 2.231 0 40 FEAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 17011600 UBIUNPJWGUYJTE-AWEZNQCLSA-N 367.858 2.386 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 17073965 FQQHFOVURRVTII-RDJZCZTQSA-N 358.438 2.156 0 40 FEAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CC(C)(C)C)c3ncccc23)C1 19016499 SDYYYJBLFMJDCB-HNNXBMFYSA-N 371.485 2.320 0 40 FEAB COc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19568859 CGZFSOYHCMWDBG-CQSZACIVSA-N 352.438 2.151 0 40 FEAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)CC1 19739401 AXLGUGZWVGXYEP-UHFFFAOYSA-N 374.485 2.073 0 40 FEAB NC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 19849822 ROFYDIDASYQMAQ-UHFFFAOYSA-N 363.889 2.276 0 40 FEAB COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1ccccn1)C(F)(F)F 19944085 VLEROJCNYZCJJU-OAHLLOKOSA-N 371.290 2.494 0 40 FEAB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 226354134 PYMAXOPGJCRWTE-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB Cc1cc(C)nc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)n1 1888843400 XOFCNTGABXLTPU-UHFFFAOYSA-N 353.474 2.119 0 40 FEAB Cc1cc(C)cc(OCCN(C)CC(=O)NC(=O)NCc2ccco2)c1 15103073 MUWWDWUHJQKREB-UHFFFAOYSA-N 359.426 2.233 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(Cn4ccnc4C)C3)cc2)co1 1849104030 GMIVHCBIDHNAKK-UHFFFAOYSA-N 372.450 2.476 0 40 FEAB COc1ccc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)s2)cc1 36705247 LQHLSGDUDNXYOJ-LBPRGKRZSA-N 353.469 2.353 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)N1CCOCC1 1775964333 GROODLJGYJDLMM-DZJNRPSUSA-N 363.502 2.234 0 40 FEAB biogenic,in-vitro COc1cc(CNC(=O)CN2CCc3ccccc3C2)cc(OC)c1OC 38415308 JOYZGZFSMFALQY-UHFFFAOYSA-N 370.449 2.387 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565544480 LSZKJGPOENEQET-UKRRQHHQSA-N 365.437 2.354 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359868 CAWBUHMOLHLLAQ-CQSZACIVSA-N 353.378 2.020 0 40 FEAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccccc3)cc21 5252378 FBTZZUPJWWKNBO-UHFFFAOYSA-N 351.406 2.241 0 40 FEAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 9037050 QNUMRKWNHNQMGC-AWEZNQCLSA-N 362.426 2.466 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)[C@H](Cc1ccccc1)n1cnnn1 40001051 FGQNENCJYJJITI-SFHVURJKSA-N 365.437 2.303 0 40 FEAB CN(C)[C@@H](CNC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 32747845 LRQQWSWNSHUQGK-SFHVURJKSA-N 367.449 2.221 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)NCCOc3ccccc3)nc2n1 7426410 BWTMZCLASBCPKO-UHFFFAOYSA-N 357.439 2.028 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 104044931 OIROBBRJWJTYBR-ZKYQVNSYSA-N 371.422 2.239 0 40 FEAB COc1cc(NC(=O)c2ccc[nH]c2=S)ccc1NS(C)(=O)=O 29955833 CLDNJVXJCCCIHH-UHFFFAOYSA-N 353.425 2.377 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC(=O)/C=C/c1ccccc1OC(F)F 42290922 LIUBLVHGGOVCEO-BQYQJAHWSA-N 372.349 2.411 0 40 FEAB CCCn1c(S[C@H](C)C(=O)NC(=O)NC2CC2)nnc1-c1ccncc1 12465562 GXNMJQDWQQTFIX-LLVKDONJSA-N 374.470 2.219 0 40 FEAB COCC(=O)Nc1cccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 102815160 BYZIWKBNLPDKMS-KRWDZBQOSA-N 367.405 2.324 0 40 FEAB COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 34087023 CESBUDCKGYCTQM-ACJLOTCBSA-N 373.453 2.208 0 40 FEAB Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2c(Cl)cccc12 52854965 DZICOGFBZOILID-UHFFFAOYSA-N 356.831 2.112 0 40 FEAB Cc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)nc1 12526637 WEAXRRBLQZHGIS-INIZCTEOSA-N 372.450 2.092 0 40 FEAB Cn1c(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)nc2ccccc21 12541378 XKZHBOUQLDGWNM-UHFFFAOYSA-N 373.416 2.159 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C(=O)OC)c2)cc1 51356999 DHKAJOKVVHAKMM-UHFFFAOYSA-N 371.345 2.055 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490216 OWGLGDGJHVRXTL-UHFFFAOYSA-N 357.435 2.049 0 40 FEAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCc1cccc(Cl)c1 57447321 ZMLKAIMEMMMBAX-OAHLLOKOSA-N 373.906 2.343 0 40 FEAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21)c1cccc(Cl)c1 57525695 YLTFYSISRYNLBZ-UHFFFAOYSA-N 357.797 2.017 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCCC3)C2=O)cc1 3295992 WECZPGAGXVRWHR-GFCCVEGCSA-N 372.425 2.227 0 40 FEAB CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CCCCC1 3244779 RGXKYFNZVCBAQS-FQEVSTJZSA-N 355.438 2.171 0 40 FEAB C[C@@]1(NC(=O)Cc2csc(-c3ccsc3)n2)CCS(=O)(=O)C1 57973378 SIPXIDJXQQJYAE-CQSZACIVSA-N 356.494 2.108 0 40 FEAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)[C@H](O)c1ccccc1 48091789 CMMLMPAXAPOANN-VQIMIIECSA-N 371.485 2.181 0 40 FEAB Cc1cccc(N2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1C 12644275 RNDZSCFDPZAJIB-OAHLLOKOSA-N 355.490 2.020 0 40 FEAB C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@H](CCO)c1ccccc1 97164810 AUIZEZYAVDXLJZ-CZUORRHYSA-N 356.426 2.033 0 40 FEAB C[C@@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 21986082 OOZLYRJGBGUXJY-GHMZBOCLSA-N 360.385 2.307 0 40 FEAB Cc1nc(C)n(C[C@H]2CCCN(C(=O)NC[C@@H](C)Cn3ccnc3C)C2)n1 172130421 PWWLGJADKXMFDX-KDOFPFPSSA-N 373.505 2.158 0 40 FEAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)Nc1nccs1 58423358 POHJCTMEXCSZLW-UHFFFAOYSA-N 367.814 2.326 0 40 FEAB C[C@](O)(CNC(=O)c1ccc(N2CCOCC2)c(F)c1)c1ccsc1 77636674 DRLDGCOIVNJMFM-SFHVURJKSA-N 364.442 2.361 0 40 FEAB C[C@@H]1C[C@@H](N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C(=O)O1 12803854 UYSJZWLQQJLALW-CZUORRHYSA-N 350.374 2.186 0 40 FEAB Cc1cc(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c(C)n1Cc1ccco1 9762778 CLCIPKQTMCBSLV-MRXNPFEDSA-N 355.394 2.356 0 40 FEAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)NCCC3=CCCCC3)nc2n1 5021362 BUBVWVVNLSURRX-AWEZNQCLSA-N 371.441 2.293 0 40 FEAB CN(C(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1 13733795 GSJNSQFMTIRBGN-HNNXBMFYSA-N 373.478 2.398 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060517 MXURPGYWSKGDJX-GFCCVEGCSA-N 352.398 2.217 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 93008427 IROITVOSGXFGEA-KRWDZBQOSA-N 360.433 2.192 0 40 FEAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCCO 6623692 RIAJHXIFMRYOOP-UHFFFAOYSA-N 353.374 2.337 0 40 FEAB biogenic CCCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)O 6938450 NVMVNTMZFDPPKY-CQSZACIVSA-N 371.455 2.208 0 40 FEAB Cc1c(C(=O)N[C@H](C)c2ccccn2)nnn1-c1ccc2c(c1)OCCO2 67134501 PVZCCEFONWVTMC-GFCCVEGCSA-N 365.393 2.233 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccc(F)c2)n1 95474044 BRZKYQKMPGRHOA-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB COc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccncc2)cc1 7111462 SPXYZCCZXBMBEP-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccc(-c2nnco2)cc1 7736675 PRLNOFAADFEACC-UHFFFAOYSA-N 373.390 2.158 0 40 FEAB O=C(O)CCS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 16899991 KPBHULSXWJFNDR-JTQLQIEISA-N 358.213 2.289 0 40 FEAB Cc1sc2ncn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2c1C 8241879 FWVDSSIUWNYGEY-UHFFFAOYSA-N 371.418 2.120 0 40 FEAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ncccn3)CC2)c1 69489853 GRRCAJQDGUWHHR-UHFFFAOYSA-N 368.441 2.488 0 40 FEAB Cc1ccsc1CN1C[C@@H](c2ccnn2C(C)C)[C@@]2(C1)OCCNC2=O 306132856 LUMPORMAZUTBBB-HNAYVOBHSA-N 374.510 2.319 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=c1\sc2nc3ccccc3n2c1=O 408903403 SVZMCBCDFLKDRG-RQNDZEIBSA-N 374.425 2.448 0 40 FEAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)N2C=C1 36741117 METCUPCESNKADG-KKSFZXQISA-N 372.513 2.476 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1cccc(F)c1 72241678 UVWQPNVQHCLISJ-MSOLQXFVSA-N 360.360 2.180 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1OC 70638348 DVZJWDIVQNSORF-UHFFFAOYSA-N 355.394 2.311 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 33701177 HTWCDRZDOHFYNZ-UHFFFAOYSA-N 360.863 2.030 0 40 FEAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1cccc3c1OCO3)C2 225494405 YTAAZHQHBIWRGM-KRWDZBQOSA-N 355.438 2.322 0 40 FEAB biogenic,in-vitro C[C@H]1C[C@@H](C)CN(CCCNC(=O)CN(C)C(=O)c2cccs2)C1 48271046 SWJRAYWFSKQFQU-GASCZTMLSA-N 351.516 2.304 0 40 FEAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 224190553 SAZAZOKKXVXDPC-UHFFFAOYSA-N 356.451 2.483 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(c4ncc(F)cn4)C3)C2=O)c1 96159796 UCGMWGRQJQZHEB-LJQANCHMSA-N 356.401 2.253 0 40 FEAB COc1cccc(OC[C@@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 95117162 DMGXWFJQOQPYQV-HNNXBMFYSA-N 365.451 2.064 0 40 FEAB O=C(c1ccc(F)cc1)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159414 HBHCVDKRLASIGY-HXUWFJFHSA-N 353.397 2.486 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109068 NAJFMLGXHXEWTK-KUHUBIRLSA-N 355.394 2.115 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)n1 248129724 YBRLQPNCNQVZDN-GOSISDBHSA-N 374.481 2.454 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648543 QYYFDYJFNAXTSX-IIAWOOMASA-N 369.801 2.201 0 40 FEAB O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc2cnccc2s1 614712094 UHLBQZNZLFAUHO-LBPRGKRZSA-N 359.455 2.101 0 40 FEAB Cn1cc(CCNC(=O)c2ccc(Cn3cnnn3)cc2)c2ccccc21 604418954 YVCIXAQIMPKATF-UHFFFAOYSA-N 360.421 2.186 0 40 FEAB Cc1cc(C)n(-c2cc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)ncn2)n1 90614266 UBHFYMFZSDVYDY-FZKQIMNGSA-N 365.393 2.446 0 40 FEAB O=C(O)COc1ccc(CN2CC[C@@](O)(COc3ccccc3)C2)cc1 585272139 LLLLIVFFLRZHRH-FQEVSTJZSA-N 357.406 2.166 0 40 FEAB CO[C@@H]1COC[C@@H](CNCc2cccc(C(F)(F)F)c2Cl)[C@@H]1O 585286022 HTVJRWCCEUADLC-QKCSRTOESA-N 353.768 2.471 0 40 FEAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)sc2ccc(F)cc12 53291496 LGWOQYQXAFKFNF-UHFFFAOYSA-N 361.398 2.163 0 40 FEAB C[C@H](CC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)n1cncn1 12086992 WXIRRBBFDLWMFZ-GDBMZVCRSA-N 356.426 2.418 0 40 FEAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H]4CCCC[C@H]43)nc12 12117785 DABANUPCNCEMJO-HUUCEWRRSA-N 367.453 2.169 0 40 FEAB CCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1 13694858 SSWHYDGMSCEXBE-UHFFFAOYSA-N 361.877 2.174 0 40 FEAB O=C(Cc1ccccc1O)NCCc1cc2nc(-c3ccncc3)ccn2n1 19348195 PEVDMJPBVQFZTI-UHFFFAOYSA-N 373.416 2.398 0 40 FEAB CCCCc1cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)[nH]n1 19502359 XWERCVYYIMHRNO-CQSZACIVSA-N 356.426 2.296 0 40 FEAB COc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(OC)c1 19551964 GUGDJADZNBIFPB-KRWDZBQOSA-N 368.437 2.117 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cs1 19705550 FVKWFLUHNFYTLW-OAHLLOKOSA-N 372.494 2.497 0 40 FEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC1CCN(C(=O)C(C)C)CC1 19748310 NEOWSLBTWVXKCG-CQSZACIVSA-N 362.518 2.369 0 40 FEAB CN1CCN(C(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 19972552 RJCBJVQKLCJUQF-UHFFFAOYSA-N 357.454 2.007 0 40 FEAB COc1cccc(COC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 16208149 WITOLOIJJCXNFL-UHFFFAOYSA-N 363.435 2.368 0 40 FEAB COc1ccc(C(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)cc1F 1888941659 WQZBDMANVBCKAT-KRWDZBQOSA-N 355.369 2.483 0 40 FEAB COc1cnc(N2CC[C@H](Oc3ccncc3Br)C2)nc1 1889098102 OQHSAFUSMLOPGL-JTQLQIEISA-N 351.204 2.300 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 36394895 KFIIHEGOYFGAAU-SFHVURJKSA-N 364.449 2.244 0 40 FEAB Cc1ccnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)n1 1775995025 MOEGTDGSHHLKGK-UHFFFAOYSA-N 364.457 2.207 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(F)c1 4940651 GEGSQZPWMQFMTH-UHFFFAOYSA-N 366.345 2.138 0 40 FEAB COc1cccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772155 BZOOFBVSPGMNRZ-UHFFFAOYSA-N 354.454 2.115 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCC(Oc2ncc(F)cn2)CC1 1775974850 SYBNRJIMKYZMGP-UHFFFAOYSA-N 359.386 2.304 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(-c3sc(C)nc3C)n[nH]2)CC1 23125534 VWCUKXMIACFXNM-UHFFFAOYSA-N 363.443 2.064 0 40 FEAB COc1ccc2nccc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)c2c1 2086889711 RSEZCCLHFLDCQB-ZDUSSCGKSA-N 361.467 2.294 0 40 FEAB Cc1ccc(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1 35597967 QRPRABOLTIBJNG-UHFFFAOYSA-N 361.254 2.482 0 40 FEAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cnn(-c2ccccc2)n1 618257637 ZIACTFQSYABCRJ-HNNXBMFYSA-N 353.451 2.333 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)N[C@H](c2ccccc2)C2CC2)=NN1c1ccccc1 30803405 UEUCUBWICBTNIN-RBUKOAKNSA-N 362.433 2.374 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1F)CC(=O)N2 31809223 XZUPYEKAKIQRDS-NSHDSACASA-N 363.356 2.460 0 40 FEAB Cc1ccccc1C1(CNC(=O)c2sc(S(N)(=O)=O)cc2C)CC1 102385291 JMTBDOUWOGOLHD-UHFFFAOYSA-N 364.492 2.474 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O)c1cccc(Br)c1 4299277 JXUDCGNYTGZGJA-GHMZBOCLSA-N 360.204 2.460 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)c(C)s1 6679996 KWYXQUMETHDUIZ-UHFFFAOYSA-N 370.452 2.234 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 21895302 MGONRAZAZBKBCT-GASCZTMLSA-N 368.499 2.258 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1OC 10008789 PIGCOXHQSCPXIS-UHFFFAOYSA-N 368.842 2.187 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 8223274 ASLKAXMUUPZSRZ-CYBMUJFWSA-N 366.870 2.366 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC2(Cl)Cl)c1 22610987 XGLZTLVDAVHMCV-JTQLQIEISA-N 352.239 2.335 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@H]21 53760580 GGJOWSXEDODYAJ-GDBMZVCRSA-N 355.438 2.261 0 40 FEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccco1 104897136 PAUJLJPNNUGWFP-ZWKOTPCHSA-N 367.449 2.275 0 40 FEAB O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 97032308 YQVUIXGWAPWSIU-RCCFBDPRSA-N 353.418 2.281 0 40 FEAB Cc1nn(Cc2ccccc2F)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 101592602 CQBLOZUFRJLKEU-QAETUUGQSA-N 369.396 2.354 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24929049 PSGYWANUILYAMY-NEPJUHHUSA-N 372.343 2.382 0 40 FEAB CC(CNS(=O)(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 55414466 ZVZMGXPDOKQNTB-UHFFFAOYSA-N 360.479 2.159 0 40 FEAB CC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 56019902 QGEFIGWUMJTADZ-AWEZNQCLSA-N 358.891 2.158 0 40 FEAB CSCC(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108528923 MXBSKJRHGBCSEZ-UHFFFAOYSA-N 354.516 2.007 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)NCC(=O)N2CCCc3ccccc32)c1 57269897 KHYLGIWZBJOGJQ-AREMUKBSSA-N 370.474 2.274 0 40 FEAB Cc1cc(NC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)no1 25147250 FHUMDCZGBDQETO-UHFFFAOYSA-N 374.426 2.444 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)COC(=O)CCc3ccco3)ccc21 22099431 SIRVIWPTPMGFAX-UHFFFAOYSA-N 356.378 2.303 0 40 FEAB NC(=O)CSc1nnc(SCc2nc(-c3ccccc3)no2)s1 22091361 DZUCEOAUSPGUJN-UHFFFAOYSA-N 365.465 2.458 0 40 FEAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cnn(C)c2)n1 58232064 ZBQAOGVAWLOUAA-MRXNPFEDSA-N 369.494 2.446 0 40 FEAB O=C(Cn1c(-c2cccs2)noc1=O)NC(=O)Nc1ccccc1F 58209105 CGTBILAQEGXJAX-UHFFFAOYSA-N 362.342 2.052 0 40 FEAB O=C(NCc1ccncc1)[C@H]1CCC[C@H](C(=O)NCc2ccncc2)C1 58203368 BIIOYBOIESVCLD-ROUUACIJSA-N 352.438 2.216 0 40 FEAB O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)[C@@H]1CCCO1 58403303 OHJCRYRAUGOYKS-LBPRGKRZSA-N 351.204 2.206 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)Nc2ccccc2F)n1 11443304 WIFHIMSXFGTMQK-UHFFFAOYSA-N 364.402 2.302 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1nccnc1N 12816458 YBGUMVJUSHSCDK-UHFFFAOYSA-N 354.197 2.076 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 3464860 HVRHHJFYCKBGED-BUXKBTBVSA-N 357.410 2.328 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCCN2CCCC2)c(Cl)cc1Cl 13311590 OUKCLSGVPLPIDD-UHFFFAOYSA-N 367.254 2.066 0 40 FEAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCc1c[nH]c2ccccc12 13550191 DLMGOSWIHRVFCX-UHFFFAOYSA-N 369.816 2.258 0 40 FEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cc(=O)[nH]c2ccccc12 13637462 WNPYMEIKMZRHRG-UHFFFAOYSA-N 362.385 2.270 0 40 FEAB N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@@H]12 39472531 NYYBPASOTOAXQW-APWZRJJASA-N 366.442 2.446 0 40 FEAB in-vitro Cc1cccc(OCCN(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 14020893 YSOCINHFPGNTEJ-UHFFFAOYSA-N 363.439 2.185 0 40 FEAB CCOC(=O)C1CCN(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)CC1 14142015 YULHIRARAKFBTN-CQSZACIVSA-N 359.426 2.076 0 40 FEAB Cc1ccccc1CN1CCN(c2cn[nH]c(=O)c2Br)CC1 14189482 NIGSHUCAVVQZLX-UHFFFAOYSA-N 363.259 2.163 0 40 FEAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)c(OC)c1OC 14252007 WPPMTQPUFSDZFN-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB COc1cccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 5450096 ZAZLMWDARDNVAV-IBGZPJMESA-N 354.362 2.391 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccn1 6660326 DQTLSIILEGBRFK-KRWDZBQOSA-N 367.380 2.434 0 40 FEAB O=C(CCn1cnc2ccccc21)N[C@H]1CN(c2ccc(F)cc2)C1=O 97108753 FSTUOKDZKSMXRZ-INIZCTEOSA-N 352.369 2.097 0 40 FEAB COc1ccc(N2CN(CCCN(C)C)Cn3c2nc(C)c(C)c3=O)cc1 36125670 WSFWIPPPSDINHZ-UHFFFAOYSA-N 371.485 2.189 0 40 FEAB Cc1cc(=O)n2nc(COC(=O)CCC(=O)c3cccs3)sc2n1 7334185 PDXAHBFJTBXJEF-UHFFFAOYSA-N 363.420 2.227 0 40 FEAB CC1CCN(C(=O)/C(=C/N(C)C)S(=O)(=O)c2ccccc2F)CC1 71417512 DCJVMWPRLBODRZ-VBKFSLOCSA-N 354.447 2.261 0 40 FEAB COC(=O)Cc1nnc(NC(=O)c2ccc(Br)cc2)s1 9360934 BKSNYEQGLBPDOU-UHFFFAOYSA-N 356.201 2.268 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(N)(=O)=O 8110969 JSRWFLPOPFMPPU-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3cccs3)[nH]c(=O)c2c1C 8458603 JCQINHXRTDSEOH-UHFFFAOYSA-N 364.404 2.498 0 40 FEAB COC(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 9530679 PQHNUMLRXPAGAC-UHFFFAOYSA-N 354.284 2.292 0 40 FEAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2N)cc1OC 9575524 NYMIOLNOIUQUIT-UHFFFAOYSA-N 353.382 2.427 0 40 FEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 84691986 BLCGKRAURKJFQP-CXAGYDPISA-N 373.453 2.221 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408556408 IGWRKHZPPTYWDQ-OAHLLOKOSA-N 368.499 2.321 0 40 FEAB CC(C)c1nnc(CNC(=O)COc2ccc(Br)cc2)n1C 95996791 ADRDOPZQWVEUPZ-UHFFFAOYSA-N 367.247 2.396 0 40 FEAB COCCNC(=O)c1ncn2c([C@@H]3CCN(CC4CCCC4)C3)ccnc12 306134002 NBLADSYRPZRMTD-MRXNPFEDSA-N 371.485 2.085 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1F 71286703 COHKFQYXQKBESO-UHFFFAOYSA-N 366.370 2.077 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCC2)cc1Cl 39986545 OCJXLPQFSNJPPW-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 218316803 CKMPGDVUBWNHCB-HUUCEWRRSA-N 368.451 2.008 0 40 FEAB Cc1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)n1C 72327150 JDGOQELJWMEBCP-UHFFFAOYSA-N 350.470 2.209 0 40 FEAB CC(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222626516 ANJWWEZLRURVTF-UHFFFAOYSA-N 360.848 2.131 0 40 FEAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 225901308 UJPLUSWCQCHOOQ-INIZCTEOSA-N 359.499 2.234 0 40 FEAB CCc1nc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)sc1C 44702135 TWGOVWQXVGTSKV-UHFFFAOYSA-N 369.468 2.448 0 40 FEAB Cc1nn2c(nnc3c(=O)n([C@@H](C)C(=O)O)ccc32)c1-c1ccc(F)cc1 40391949 WSTGZQJPCUKXCC-JTQLQIEISA-N 367.340 2.199 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 49026564 BZRBDMIMIVNODL-QWHCGFSZSA-N 351.362 2.356 0 40 FEAB COCCN1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN2C1=O 85436249 PLXLPAZRSRIMEH-OAHLLOKOSA-N 357.376 2.274 0 40 FEAB biogenic,in-vitro CN(C)S(=O)(=O)c1cccc(C(=O)NCCOC2CCCCCC2)c1 331579318 WSVMYPMIZNJUBP-UHFFFAOYSA-N 368.499 2.406 0 40 FEAB Cc1occc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96230435 MBABFTXBCWUYCC-HXUWFJFHSA-N 353.422 2.151 0 40 FEAB NC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)c1ccccc12 96080236 JXGTWOFDXGUPQH-UHFFFAOYSA-N 350.422 2.431 0 40 FEAB O=C(O)[C@]12CCCN(Cc3ccncc3)C[C@H]1CN(Cc1ccoc1)C2 96064264 ULDNDKAQOPTINE-ICSRJNTNSA-N 355.438 2.473 0 40 FEAB O=C(c1cccs1)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 96082356 WLNJXPUIHRBAQG-GDBMZVCRSA-N 350.484 2.090 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2ccccn2)ncn1 248124003 OARRYTQMYRWAMU-OAHLLOKOSA-N 355.442 2.002 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)CN4CCCCC4)C[C@H]23)cc1 257214645 CMTNPZVHTWLHSF-NJDAHSKKSA-N 371.525 2.427 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257343488 ZTFUFMYGOORXAE-KRWDZBQOSA-N 357.410 2.130 0 40 FEAB Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257293993 QRZDPURIEMDWBX-AWEZNQCLSA-N 356.451 2.431 0 40 FEAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(Br)cc1 585138417 OFDUJXVBVCSETE-TZMCWYRMSA-N 364.243 2.425 0 40 FEAB CCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 621307424 UHSFHAAATLAIEY-KRWDZBQOSA-N 365.476 2.197 0 40 FEAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCN(Cc2cscn2)CC1 635412872 NNVCZWBOBWUMEQ-UHFFFAOYSA-N 372.372 2.221 0 40 FEAB C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[nH]1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653542516 SWEASLBQTKYHCO-XHNCKOQMSA-N 360.336 2.174 0 40 FEAB Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 670416053 CTWBZBJCSPMCCX-AWEZNQCLSA-N 354.410 2.110 0 40 FEAB CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C[C@@]12CCOC2 1615589515 QSSACYFLZCWHOW-OAQYLSRUSA-N 368.481 2.128 0 40 FEAB O=C(NCc1cn(-c2ccncc2)nn1)Nc1nc2c(s1)CCCC2 390832396 ZFXHRANGMGCKOY-UHFFFAOYSA-N 355.427 2.319 0 40 FEAB CCN(C(=O)c1cnc(C(=O)O)cn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 578890686 UAIXMVWNFYJICT-HOCLYGCPSA-N 368.437 2.472 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1=O 585106639 DFBMMWKDNNIINO-JXFKEZNVSA-N 353.397 2.309 0 40 FEAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585104799 SXCSDAYVAQCTNP-OALUTQOASA-N 372.509 2.327 0 40 FEAB O=C(NCc1ccno1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 680511096 VKAPEFXACHOQGA-UHFFFAOYSA-N 363.439 2.169 0 40 FEAB O=S(=O)(c1ccccc1N1CCC2(CC1)OCCO2)C(F)(F)F 40087340 SKQLBCVVDARSJM-UHFFFAOYSA-N 351.346 2.323 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCC(F)(F)F 5172529 PXUYOTPQSDQQKC-UHFFFAOYSA-N 353.138 2.248 0 40 FEAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CCS(=O)(=O)C2)n1 12227713 VQZWBOFXDLAWII-CHWSQXEVSA-N 370.521 2.348 0 40 FEAB CCNC(=O)c1cccc(NC(=O)Cn2c(=O)n(CC)c3ccccc32)c1 14108687 XXVQTGZOZLQDOC-UHFFFAOYSA-N 366.421 2.211 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1OC 14795981 KVONHVVCZHOCTE-UHFFFAOYSA-N 372.421 2.479 0 40 FEAB O=C(NC1CCCC1)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 18206067 BKPBGPOBNNMFMK-UHFFFAOYSA-N 372.816 2.301 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 19583811 ZYRUFEVCSQHGRR-MRXNPFEDSA-N 370.501 2.182 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 19934610 CHGXZGBXJKLUFZ-LLVKDONJSA-N 366.414 2.233 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](c1ccccn1)c1ncc[nH]1 658269000 AIBNASYYJRKDHX-JCGIZDLHSA-N 352.442 2.385 0 40 FEAB O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2cccc(F)c2)no1 19718177 OIAPNKZGUBYBBV-UHFFFAOYSA-N 371.349 2.360 0 40 FEAB O=C(O[C@H]1CCN(c2nccs2)C1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390832260 YGHPKIMGPGPKEG-KGLIPLIRSA-N 374.470 2.274 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(c4ccn5nccc5n4)C[C@@H]3C2)nn1 1888897343 HOHHKDJNRVEKFD-HUUCEWRRSA-N 363.469 2.389 0 40 FEAB Cc1cc(C)c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2n1 1889148798 OYRWGVPEBXUDMH-UHFFFAOYSA-N 360.483 2.251 0 40 FEAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccc(Cl)cc1)CCO2 2037983992 NACDDQWYNLUKMY-SFHVURJKSA-N 352.862 2.178 0 40 FEAB O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1Cc1cccc(F)c1 1565543951 ITAALHZNKJFXQY-UHFFFAOYSA-N 356.401 2.204 0 40 FEAB COc1ccc2cc(C(=O)NCCn3cnc4ccsc4c3=O)[nH]c2c1 225773919 BVOABPQMNZYODV-UHFFFAOYSA-N 368.418 2.378 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1 40121576 YEZIAJGJHNYILN-DYVFJYSZSA-N 360.458 2.300 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 51034556 JBFKPHYGLVWXCR-KRWDZBQOSA-N 360.435 2.286 0 40 FEAB Cc1c(C)n(Cc2ccncc2)c2ncnc(NCCN3CCOCC3)c12 20624379 DGWMRQOFJZNJRU-UHFFFAOYSA-N 366.469 2.236 0 40 FEAB COc1ccc([C@@H](CNc2c(NCc3ccco3)c(=O)c2=O)N(C)C)cc1 101696285 AQLZKPSQGKSODT-MRXNPFEDSA-N 369.421 2.211 0 40 FEAB CC(C)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 691910 OXBLIIWNBNSVTH-UHFFFAOYSA-N 369.421 2.472 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCC(F)(F)F 2653280 DIULLHWFUKXKJG-UHFFFAOYSA-N 369.343 2.384 0 40 FEAB C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)Nc1c(F)cccc1F 32776019 WMJSLGDYOJUFMC-ZJUUUORDSA-N 366.320 2.247 0 40 FEAB O=S1(=O)C[C@@H]2SC(=S)N(c3cccc(Br)c3)[C@@H]2C1 3296652 NWJUKTDRHCWACL-ZJUUUORDSA-N 364.311 2.453 0 40 FEAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102346885 DWNPCGOXOJWVSG-NGERZBJRSA-N 360.435 2.187 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 6325658 BPCFLXYEUQNRNR-UHFFFAOYSA-N 362.879 2.277 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 102139639 KWSQJVNQQZYNSX-QBXQWZBTSA-N 350.418 2.295 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 107233290 UMHSSFLHWDOSHJ-HKUYNNGSSA-N 371.462 2.429 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NC[C@@H]1Cc2ccccc2O1 33112871 PQPDSXUCHMWBPR-AWEZNQCLSA-N 354.431 2.245 0 40 FEAB CCc1ccccc1NC1=NN/C(=c2\ccc3c(c2)[C@H](C)C(=O)N=3)CS1 104980778 LOCFALXTPCGOIH-LBBLGXEFSA-N 364.474 2.340 0 40 FEAB Cc1nn(C)c2ncc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc12 24197528 NLCVVOAHSPMTHY-UHFFFAOYSA-N 369.406 2.012 0 40 FEAB CCOCc1c(C(=O)OCc2nc(N)nc(N(C)C)n2)oc2ccccc12 12400079 UMBXNILHEFNUKH-UHFFFAOYSA-N 371.397 2.160 0 40 FEAB CCCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 12406594 VMYQAZOMTAMDHN-UHFFFAOYSA-N 374.510 2.323 0 40 FEAB CC[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(OC)cc1 24595412 LLUZOILTDQDXLZ-HNNXBMFYSA-N 359.426 2.127 0 40 FEAB C[C@H]1CN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C[C@@H](C)O1 55685842 YXIKZJKADZLXDI-HLLBOEOZSA-N 371.481 2.497 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 26100175 FHYHTPQLEPVMNG-HWKANZROSA-N 360.838 2.033 0 40 FEAB CN(C1Cc2ccccc2C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 57018557 CFOVMVCEFOPNDQ-UHFFFAOYSA-N 356.447 2.359 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102530458 OLEXVNQVJBYREK-GZXFCSGKSA-N 350.418 2.295 0 40 FEAB O=C(CSc1nc2ccccc2o1)NN1C(=O)NC2(CCCCC2)C1=O 3278382 AYQRYEYKCMHNKC-UHFFFAOYSA-N 374.422 2.206 0 40 FEAB Cc1cc(=O)n(CC(=O)NCCC(C)C)c(N2CCc3ccccc3C2)n1 57506472 CSWQUERAFTWPJO-UHFFFAOYSA-N 368.481 2.277 0 40 FEAB Cc1noc([C@H](C)NS(=O)(=O)c2ccc(Br)c(C)c2)n1 58175310 NVLIRQCOBCRHCF-QMMMGPOBSA-N 360.233 2.488 0 40 FEAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 58180434 MTPMFGHJPLLNOS-AWEZNQCLSA-N 353.426 2.481 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 58208867 PUDYFTGGIPZBFG-UHFFFAOYSA-N 355.435 2.183 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 58245706 NOZXTICFNFAALC-HNNXBMFYSA-N 369.421 2.489 0 40 FEAB O=C(NCCN1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 58483314 DGUYMNPRYJPLPL-INIZCTEOSA-N 369.412 2.297 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 48170049 YIHRWEQNSSGXPW-UHFFFAOYSA-N 368.842 2.452 0 40 FEAB CCCS(=O)(=O)N[C@H](C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 48261876 VENMXYDQANFVHQ-CQSZACIVSA-N 370.490 2.472 0 40 FEAB COc1cc2c(cc1OC)CN(Cn1cnc3ccccc3c1=O)CC2 3362886 UWFGOXWNIPYSGO-UHFFFAOYSA-N 351.406 2.430 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12766870 IHXBOHSDWJRVOG-NSHDSACASA-N 372.468 2.077 0 40 FEAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 3419642 PBDSIKBTZTUQJB-OAHLLOKOSA-N 357.841 2.442 0 40 FEAB COc1ccc(COC[C@@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 12943736 SFSKKTRNVODNGK-INIZCTEOSA-N 354.406 2.291 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)c2ccccc2O1 49604766 FIOFBEZXXRPLSI-INIZCTEOSA-N 368.389 2.261 0 40 FEAB O=C1CCCN1CCN1CCN(C(=O)c2cccc3ccccc23)CC1 65497313 UGLPCGFTAZAYIC-UHFFFAOYSA-N 351.450 2.220 0 40 FEAB COc1ccc(CN2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 9049321 KFGFUBAXGXKILD-UHFFFAOYSA-N 364.453 2.383 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCCCCC1 6558284 BMJAOYALYPPAFT-UHFFFAOYSA-N 361.471 2.474 0 40 FEAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66480919 IICKTYHKHIUTKL-CRAIPNDOSA-N 362.445 2.244 0 40 FEAB O=Cc1c(-[n+]2ccc(C(=O)c3ccccc3)cc2)[nH]c(=O)n1-c1ccccc1 5768673 HMWIPMCHSUTLCJ-UHFFFAOYSA-O 370.388 2.486 0 40 FEAB CCn1cc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cn1 36621317 NYAXZXBKSONYJO-APHBMKBZSA-N 351.414 2.153 0 40 FEAB O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2nc(-n3cccc3)sc2c1 9482200 BNCPNPCFYBQNGI-LBPRGKRZSA-N 359.432 2.128 0 40 FEAB COc1ccc(CC(=O)OCC(=O)NCc2ccc(C)cc2)cc1OC 7141093 QQGPBZATWQGHRP-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB COc1ccc(CNC(=O)c2cnn(CCN3CCCCC3)c2)cc1OC 72284015 JDIUWGWSPFGYEA-UHFFFAOYSA-N 372.469 2.316 0 40 FEAB Cc1ccc(OCCC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 7785501 GMTCMUKZFJRXJW-UHFFFAOYSA-N 362.426 2.466 0 40 FEAB NC(=O)CN1CCC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 68464493 RCXIWHDYCVXNSH-INIZCTEOSA-N 363.889 2.218 0 40 FEAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-n2cnnn2)cc1 8130471 LNXMFHPZJNFZSY-UHFFFAOYSA-N 367.394 2.345 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCOc3ccccc31)C2=O 8345852 VMSONTKQLOFPFR-RCDCFZSISA-N 371.437 2.127 0 40 FEAB CCOc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 8429743 NRISDWHCBLSFFZ-UHFFFAOYSA-N 373.434 2.105 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8536540 GNWNKXIBIXRGNX-MPBGBICISA-N 369.421 2.255 0 40 FEAB CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)[C@@H](O)c1ccccc1F 72304138 CZLIJJUYAJPIMX-ZBFHGGJFSA-N 373.388 2.063 0 40 FEAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1 9753514 OWVZRXWSLXZHCB-UHFFFAOYSA-N 355.456 2.488 0 40 FEAB CC(C)[C@H](OC(=O)c1nccnc1N)C(=O)N1CCCc2ccccc21 95349038 DGOUITISOVLOJD-INIZCTEOSA-N 354.410 2.220 0 40 FEAB C[C@@H]1C[C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)CCO1 95457892 OXOYTRUEYZDKSM-HZPDHXFCSA-N 354.450 2.430 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@H](NC2CCN(C(=O)c3ccco3)CC2)C1 79073529 PHPHFYDGVWQISE-HNNXBMFYSA-N 363.458 2.483 0 40 FEAB COCCOc1ccc(NS(=O)(=O)c2ccc(C)c(N(C)C)c2)cn1 79072897 XJBWDUSYDVIVQT-UHFFFAOYSA-N 365.455 2.282 0 40 FEAB CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)n1 95958957 NETMPKHOSOYHLV-UHFFFAOYSA-N 362.455 2.499 0 40 FEAB Cn1cc(C(=O)NCCc2nnc(-c3ccccc3)n2C)c(C(F)F)n1 548406373 YOJAAFCZBLWDCH-UHFFFAOYSA-N 360.368 2.126 0 40 FEAB NC(=O)Cn1cc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 1544268067 OMTDHFRNBVOMQF-UHFFFAOYSA-N 363.151 2.406 0 40 FEAB Cc1cc(C)c(N(C[C@H](O)CN2CCCCC2)S(C)(=O)=O)c(C)c1 31903766 KYUVOLVKMMHHCS-QGZVFWFLSA-N 354.516 2.225 0 40 FEAB Cc1ccc(OCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nc1 75077118 QYCGOKNKPZBMMT-INIZCTEOSA-N 359.470 2.266 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3cc(C)nc4c3c(O)nn4C)CC2)c1 32825173 MZRDBYVBIWWLSP-UHFFFAOYSA-N 365.437 2.253 0 40 FEAB CC[C@@H](C(=O)N1[C@H](C(=O)O)COC12CCN(CC)CC2)c1ccccc1 71980166 ULUQYEAOMQILMU-SJORKVTESA-N 360.454 2.304 0 40 FEAB CCOC(=O)c1cc(I)ccc1N1CCN(C)CC1 39951644 CQXDMTSXNJVBDI-UHFFFAOYSA-N 374.222 2.220 0 40 FEAB Cc1cc(CN2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)no1 32743476 KXTGNGAZZYRAHC-LJQANCHMSA-N 365.437 2.459 0 40 FEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38754650 VAPGQXMTHNCAQN-GFCCVEGCSA-N 368.405 2.436 0 40 FEAB CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 122531552 BVEHJSITKLLCJO-UONOGXRCSA-N 357.376 2.326 0 40 FEAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 223125069 LCZAOBVZANJBMD-MRVPVSSYSA-N 371.415 2.348 0 40 FEAB O=C(NC[C@](O)(c1ccco1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 77099477 KEDKGHLLVDNOFT-QGZVFWFLSA-N 366.776 2.425 0 40 FEAB O=C(NCc1n[nH]c(=O)c2ccccc12)C1(c2ccccc2)CCOCC1 75148844 CZWARKUQZIYYDJ-UHFFFAOYSA-N 363.417 2.288 0 40 FEAB COc1cccc(N(CCCC(=O)NCCC(C)C)S(C)(=O)=O)c1 222670208 HADSKIUNIFMGQZ-UHFFFAOYSA-N 356.488 2.404 0 40 FEAB COc1cccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 223646136 PSNCCOBDZTYCRS-UHFFFAOYSA-N 354.472 2.158 0 40 FEAB Cc1cn2c(n1)[C@@H](CNC(=O)NCc1c3c(nn1C)CCCC3)CCC2 576162136 GBEIFSHSLZGREB-CQSZACIVSA-N 356.474 2.181 0 40 FEAB O=C(Cn1nnc2ccccc21)N[C@@H](c1cccnc1)C1CCOCC1 225621756 JTCBBFOTTWXHFQ-LJQANCHMSA-N 351.410 2.110 0 40 FEAB CCOCCN1Cc2ncn(C)c2[C@@H](COCc2csc(C)n2)C1 96045043 LRIQLZFTUULUPV-CQSZACIVSA-N 350.488 2.338 0 40 FEAB COc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)cc1 96058880 WRBZAOCDOJHVIB-UHFFFAOYSA-N 365.437 2.319 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc12 96242312 HPDUKZUMPODSEJ-CQSZACIVSA-N 362.495 2.136 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 96039552 UNVCUNIJZAQXAC-VQIMIIECSA-N 350.459 2.178 0 40 FEAB Cc1ccccc1N1C[C@]2(COCCN(Cc3ccccn3)C2)OCC1=O 96240105 OSTMFAMYMYGTDN-OAQYLSRUSA-N 367.449 2.024 0 40 FEAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)CC1 96308946 DRPFHUYIXNNWCY-MRXNPFEDSA-N 373.453 2.018 0 40 FEAB O=C(C1CCSCC1)N1CC2(C1)OCC[C@@H]2COCc1cccnc1 247806313 BIIYCOHFELRAAZ-QGZVFWFLSA-N 362.495 2.359 0 40 FEAB Cc1cccc2c1O[C@@H](C(=O)Nc1cccc(N3C(=O)CCNC3=O)c1)C2 585140308 IKSJEKYSONSIBQ-MRXNPFEDSA-N 365.389 2.384 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)c(C)n1 257293131 QOGSLOYTVYARFO-OAHLLOKOSA-N 354.414 2.327 0 40 FEAB O=C1NC(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@H]2C(=O)O)S1 256027783 BQMPJQIIFCKCND-OYUORYAFSA-N 351.771 2.027 0 40 FEAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1sccc1C)CC2 253599770 UHTJNGYSJXFNTR-AWEZNQCLSA-N 362.499 2.135 0 40 FEAB C[C@@H]1c2nc(C(=O)NC3CCC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591077 IYSWLRPEZMNPAM-CYBMUJFWSA-N 368.437 2.471 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(CC(=O)O)cc2)C1 630234589 NVZPYLMSNNUTIM-INIZCTEOSA-N 360.454 2.215 0 40 FEAB O=C(NC[C@@H](CO)c1ccc(Cl)cc1)NC[C@]12CCC[C@H]1NCC2 1120651660 XDQANDRBWXSJEA-YXJHDRRASA-N 351.878 2.247 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NC2(c3cccc(F)c3)CCC2)CC1 648515170 CSXKTGDNGXVEAW-UHFFFAOYSA-N 368.474 2.383 0 40 FEAB Cc1cc(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(N(C)C)nn1 667477128 URPAIABWBRNUBF-PWSUYJOCSA-N 361.368 2.473 0 40 FEAB CSCC1(CCNC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 596735060 LIBNLYIDOSTIMX-INIZCTEOSA-N 355.548 2.416 0 40 FEAB O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1ccc(F)cc1 585097338 KHOWAZGUYWDHSU-MRXNPFEDSA-N 356.401 2.059 0 40 FEAB COCCN1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 585290557 YCVLPEZBDYCLAU-IPMKNSEASA-N 368.905 2.265 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)COc3cccnc3)C2)cc1 585274061 ZTKKXMXHGZZOOA-FQEVSTJZSA-N 356.422 2.201 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCCN(C(=O)Cc2nonc2C)C1 585279548 ZQXMWPCUATYCHW-IBGZPJMESA-N 359.426 2.316 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2F)C1 678984441 BRAHRFUQPJPTAC-SWLSCSKDSA-N 364.417 2.352 0 40 FEAB COc1ccc(OC)c(CCNC(=O)N[C@@H]2CCCc3c2cnn3C)c1 54760388 ZSHLBPSDSMXHOX-MRXNPFEDSA-N 358.442 2.357 0 40 FEAB CCC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58370256 ACSAUPAZJAUJIZ-GOSISDBHSA-N 371.481 2.199 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 1207133890 CCEYGMZWYKPSFW-IYBDPMFKSA-N 361.467 2.044 0 40 FEAB Cc1ccc(-c2nc(C3CCN(C(=O)c4ccnn4C)CC3)no2)cn1 19215065 DCKBKRMZCYCRKV-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cn1 19525035 BAQQIWYCWJDAHM-CYBMUJFWSA-N 359.455 2.348 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 19554541 IAKFHEKVKWUSNS-LJQANCHMSA-N 366.465 2.427 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1C[C@H](C)O[C@H](C)C1 11613528 DXYSJVJARQLNGW-FRRDWIJNSA-N 351.472 2.039 0 40 FEAB O=C(c1cnccn1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12393164 MNBHWOMDVXYMQH-UHFFFAOYSA-N 350.344 2.453 0 40 FEAB Cc1cc(C)nc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888866324 ZHYUJEVEQDCBBD-HZPDHXFCSA-N 350.470 2.253 0 40 FEAB COc1ccccc1-c1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)o1 4517948 KHDJFRIBMBSPRN-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(=O)n(C)c1 16849478 XFBPKKTWWJQYKZ-UHFFFAOYSA-N 373.413 2.051 0 40 FEAB CCOC(=O)c1s/c(=N\C(=O)c2coc3ccccc3c2=O)n(C)c1C 100846685 KBFFOELNOVSCJH-HNENSFHCSA-N 372.402 2.419 0 40 FEAB Cc1cc(NC(=O)C(=O)NCCc2ccsc2)ccc1N1CCCC1=O 49511871 JYWPVSXGOMTALE-UHFFFAOYSA-N 371.462 2.481 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575609376 BDVLJXSDCCQRKC-QGZVFWFLSA-N 370.430 2.474 0 40 FEAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)s1 40157606 PIUXNVMVZIJNKN-SECBINFHSA-N 369.468 2.285 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751559 KESFGMLNRNIGDY-SECBINFHSA-N 373.390 2.418 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N(C)c1ccccc1 2643142 TUQLMTZUVOCSJJ-KRWDZBQOSA-N 358.394 2.240 0 40 FEAB ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1 4320511 LHPSJUQKLJEKHT-UHFFFAOYSA-N 373.207 2.317 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2F)c1 6384574 SYRNREYOODPALA-UHFFFAOYSA-N 367.398 2.312 0 40 FEAB COc1ccc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 7489687 FMCFKCUCRZAHDV-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 23019769 ZYCSKLGTUVTBKX-UHFFFAOYSA-N 360.439 2.306 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3nc[nH]n3)cc2F)C[C@@H](C)O1 76091893 YITGJSXRDJXFNU-TXEJJXNPSA-N 362.409 2.221 0 40 FEAB O=C(CCCNC(=O)c1ccco1)NCc1cnn(-c2ccccc2)c1 24030314 PRCNBWXLALUUQZ-UHFFFAOYSA-N 352.394 2.292 0 40 FEAB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1 1192131 VQEWEPUUTNIFAT-SFQUDFHCSA-N 366.373 2.333 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1 112543656 BIRCVMIMKOFNFQ-GOSISDBHSA-N 369.465 2.372 0 40 FEAB O=C(NCCc1cccc(Cl)c1)[C@H](Cc1ccccc1)n1cnnn1 25921028 OPSSDNQQXSNVIZ-KRWDZBQOSA-N 355.829 2.469 0 40 FEAB CC(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007544 MQETXTVMILNXFG-KRWDZBQOSA-N 364.442 2.240 0 40 FEAB Cc1ccc2[nH]c([C@H]3CCCN([C@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 108144867 UCSYQELYEMEVNB-KGLIPLIRSA-N 369.469 2.427 0 40 FEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 12650758 XPEIMWFQESQJEV-IRXDYDNUSA-N 359.857 2.371 0 40 FEAB CNc1cc(N2CCC[C@H]2CNCc2ccc(OC)c(OC)c2)ncn1 109070319 QOXOGSODHNKSKA-HNNXBMFYSA-N 357.458 2.294 0 40 FEAB CCOC(=O)CN(C(=O)CCNC(=O)C(C)(C)C)c1ccc(F)cc1 58283378 NNLHDNOSUZWBCO-UHFFFAOYSA-N 352.406 2.274 0 40 FEAB O=C(Nc1cccc(COCc2ccco2)c1)N[C@H]1CCS(=O)(=O)C1 59349970 COQIGNOBCCPBER-HNNXBMFYSA-N 364.423 2.305 0 40 FEAB CC(C)NC(=O)CCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 45925773 LMFYPIRAPRIVEQ-INIZCTEOSA-N 367.877 2.125 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc2c(c1)OCO2 408729511 BXYGTTOVDPAOEY-HNNXBMFYSA-N 360.391 2.239 0 40 FEAB O=C(COC(=O)c1ccccc1Br)NC(=O)NC1CCCC1 3506854 MPQYWXJATRNXCT-UHFFFAOYSA-N 369.215 2.374 0 40 FEAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(F)cc1Cl 3543831 YBOBXQQLRRWCMH-UHFFFAOYSA-N 367.764 2.151 0 40 FEAB CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)CC 408697926 MVIBLGSTASOBFL-UHFFFAOYSA-N 363.439 2.307 0 40 FEAB CC1CCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)CC1 20489021 SVFGQBMNOWSQHF-UHFFFAOYSA-N 359.514 2.371 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cnn(C)c1C 13296773 IHLOTLFLTGTNRR-UHFFFAOYSA-N 351.790 2.494 0 40 FEAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2F)n2nnnc2N1 8739119 WPXMWTLCOCKVLZ-QGZVFWFLSA-N 364.384 2.418 0 40 FEAB COCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1 5254932 IFWBNLMTTYXVKH-UHFFFAOYSA-N 357.362 2.415 0 40 FEAB COc1cccc(CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 6551765 ZVILSFYLQOSJKN-UHFFFAOYSA-N 355.438 2.468 0 40 FEAB CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 14520625 DBQPBDQUDCDIBI-UHFFFAOYSA-N 353.426 2.044 0 40 FEAB C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1cccc(F)c1 6638855 MSPGFAXFRCRBBC-HNNXBMFYSA-N 373.428 2.224 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccccc1 5680840 BFYDEONLVBYCBU-SFHVURJKSA-N 355.419 2.470 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CCc1c(C)nc2ncnn2c1C 6772676 UPYCRPQHWVRBDG-UHFFFAOYSA-N 367.409 2.489 0 40 FEAB c1ccc(CCn2nnnc2[C@H](c2cccs2)N2CCOCC2)cc1 20143272 LEQLUCRSNUPLDD-KRWDZBQOSA-N 355.467 2.399 0 40 FEAB CC1(C)C(O)=NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccccc3Cl)N21 5861627 GNGTYDVXUHHKCG-SNVBAGLBSA-N 366.830 2.130 0 40 FEAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 9060480 KQNMXJDCVCQFND-UHFFFAOYSA-N 365.437 2.162 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CCCCC1 6984028 GZPFDXFOYGELDM-MRXNPFEDSA-N 367.515 2.398 0 40 FEAB CCN(c1ccc(C(=O)NCCN2CCCCCC2)cc1)S(C)(=O)=O 26111522 CHWFTWOSCDKOEY-UHFFFAOYSA-N 367.515 2.078 0 40 FEAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2cccc[n+]2[O-])c(C)c1 19675244 RYXKSGIDPMGQHB-UHFFFAOYSA-N 359.451 2.092 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2N1 71405343 FCYRZAOCZYUEPO-UHFFFAOYSA-N 356.300 2.001 0 40 FEAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCC(N)=O 8112995 GLTAPQZHLOAFLU-UHFFFAOYSA-N 364.785 2.474 0 40 FEAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@@H]1Cc2ccccc2O1 69496495 SGXQAQBMWZYVEP-QUCCMNQESA-N 352.434 2.180 0 40 FEAB C[C@H](C(=O)NCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 9356125 KLNGLYSYQAHWKM-LLVKDONJSA-N 356.831 2.404 0 40 FEAB O=C(Nc1ccc(Cn2cncn2)cc1)C1=NN(c2ccccc2)C(=O)CC1 9484818 ARNCXQYZMDSHLR-UHFFFAOYSA-N 374.404 2.448 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCCc3cccs3)ccc2N1S(C)(=O)=O 9479183 QTRBQWUHGQAYDX-LBPRGKRZSA-N 364.492 2.431 0 40 FEAB COC(=O)C[C@H](c1c(O)cc(C)[nH]c1=O)c1c(Cl)nc2sccn12 72405587 FSCHPFKDOIGKCQ-MRVPVSSYSA-N 367.814 2.447 0 40 FEAB CC(C)Cn1ccc2c(NC(=O)CNC(=O)c3cnccn3)cccc21 72402397 XOCYZBDSOUWNNB-UHFFFAOYSA-N 351.410 2.456 0 40 FEAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 9861671 ABACNWPUOWDAGM-UHFFFAOYSA-N 371.528 2.121 0 40 FEAB Cc1nnc([C@H](C)NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 95940058 FYLOHZIGFWAHNI-BLLLJJGKSA-N 360.483 2.407 0 40 FEAB N[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 95972603 OPRBUQVALANCTE-VIFPVBQESA-N 362.295 2.446 0 40 FEAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CC[C@@H](C)O 75092850 QOKUZFRELZRPRF-GDBMZVCRSA-N 352.500 2.076 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C4CCC4)C[C@H]2C3)cc1 306143308 XYEXSBJTGNHNMF-ZIAGYGMSSA-N 367.453 2.196 0 40 FEAB Cc1cncc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1 514940307 OCSZJYVTSOFOOJ-KXBFYZLASA-N 350.422 2.267 0 40 FEAB Cc1cc(Cn2nnc(C(=O)N[C@H]3c4ccc(F)cc4O[C@@H]3C)c2C)on1 516796544 KPKDLDUTRAUKCG-PIGZYNQJSA-N 371.372 2.322 0 40 FEAB NC[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218608158 QMKUWWLTFYZCKQ-IKGGRYGDSA-N 369.845 2.356 0 40 FEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2ccnn2C)CC1 72348272 YUXVEFHDHRUFNJ-UHFFFAOYSA-N 363.421 2.079 0 40 FEAB CNCC(=O)N1CCC[C@@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 72383003 ISQUGOWAIOPZNC-OAHLLOKOSA-N 354.458 2.157 0 40 FEAB CN1CCc2nnc([C@H]3CCCN(C(=O)CCC4CCCC4)C3)n2CC1 72370919 ANEGOUWNHPHVAD-KRWDZBQOSA-N 359.518 2.442 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 49026602 WMUBYQVCWFAIIY-UONOGXRCSA-N 362.385 2.214 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c(C)c1C 225282916 RJYWFFZPZBANML-CQSZACIVSA-N 363.435 2.430 0 40 FEAB COc1cc(Cl)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013724 FPMRFBMSANXEEO-UHFFFAOYSA-N 352.803 2.354 0 40 FEAB COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 98063907 GVUPXGQLPMFZGI-DZGCQCFKSA-N 367.405 2.286 0 40 FEAB Cc1cc([C@@H]2CCCN(C(=O)Cn3cc(C(N)=O)c4ccccc43)C2)n[nH]1 578526068 PRYJSTROIKQCQV-CQSZACIVSA-N 365.437 2.178 0 40 FEAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 96225854 CHJBBAKLUAKFAC-QGZVFWFLSA-N 359.407 2.019 0 40 FEAB O=C(NCc1cccc(F)c1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344237 HESAORHXIJRDGQ-CYBMUJFWSA-N 352.369 2.371 0 40 FEAB Cn1cccc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 248134190 OCCLGIFMQFQHBQ-OAHLLOKOSA-N 350.484 2.168 0 40 FEAB O=C(c1cccnc1O[C@H]1CCOC1)N1CCn2c1nc1ccccc12 253397562 FUEWOLCMIHFXSI-ZDUSSCGKSA-N 350.378 2.259 0 40 FEAB CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257269590 MQOUKCOVRFMVQV-BFYDXBDKSA-N 358.442 2.145 0 40 FEAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC[C@@H]1O 257267876 MJEDEOYRJOTNSD-YOEHRIQHSA-N 361.417 2.045 0 40 FEAB Cn1ncc2c1CC(C)(C)CN(C(=O)c1cccc(OCC(=O)O)c1)C2 663154797 AISVBRZDQGPDRF-UHFFFAOYSA-N 357.410 2.108 0 40 FEAB O=C1CCC[C@@H](CC(=O)N2CCOc3cc(F)c(Br)cc32)N1 297627360 BVHVPPVEBDCAAX-VIFPVBQESA-N 371.206 2.372 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)CCc2cnn(C)c2)C1 585277365 STEFGCOQJUSYEH-FQEVSTJZSA-N 357.454 2.094 0 40 FEAB Cn1cnc2c1C[C@@H](COc1ncccn1)N(C(=O)C1=CCCCC1)C2 585094625 FYXVTKWYEHCVOO-HNNXBMFYSA-N 353.426 2.043 0 40 FEAB CCOC(=O)c1cc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c[nH]1 79105210 DFTSHQQDLOXHEE-OAHLLOKOSA-N 374.397 2.097 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)ccc1Br 17072989 ABKXHKWZXOKMGN-XQHKEYJVSA-N 352.184 2.350 0 40 FEAB COCc1nnc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)s1 19129029 MAMWLDLKDHOLON-UHFFFAOYSA-N 360.443 2.224 0 40 FEAB CCC(CC)C(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2cccnc21 19500270 VASQOXSHLGYBFZ-MRXNPFEDSA-N 371.485 2.320 0 40 FEAB Cc1noc(C)c1C(=O)NCc1cc(N(C)C)nc(-c2cccnc2)n1 19580291 KUGBUHQOAMNEAF-UHFFFAOYSA-N 352.398 2.139 0 40 FEAB Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 19716960 OYUVTNNOJZBOHF-INIZCTEOSA-N 354.454 2.500 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CCN(C(=O)COc2ccccc2F)C1 19748005 HYWLAOUVJSQYPZ-QGZVFWFLSA-N 370.424 2.412 0 40 FEAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@H](c2ccccc2Cl)CC1 206996256 FFSYTJIMUSRKAA-ZDUSSCGKSA-N 365.842 2.037 0 40 FEAB COCCn1cnc2c(N3CCN(c4cccc(C)c4)CC3)ncnc21 1888903931 FYZMDNCWNCACML-UHFFFAOYSA-N 352.442 2.108 0 40 FEAB O=C(N1CCOCC1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889138900 FRWZBVDLNYLQLA-TZMCWYRMSA-N 370.375 2.063 0 40 FEAB C[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1F 25446443 HECWZFWBCUXJTQ-LBPRGKRZSA-N 355.369 2.369 0 40 FEAB OCCN(Cc1cccnc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 2037963987 VKOOCGLNPOYWNT-XUVXKRRUSA-N 360.429 2.376 0 40 FEAB O=C(c1ccon1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984224 UQUZPKDBVWSALG-IBGZPJMESA-N 355.394 2.103 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NC1CCCC1 4377020 BKKQACJSRGJVEP-UHFFFAOYSA-N 354.439 2.337 0 40 FEAB Cc1ccc2nc(SCC(=O)N3CCCc4ccccc43)nc(=O)n2c1 4499816 ULMGJJASKYKQTB-UHFFFAOYSA-N 366.446 2.469 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(F)c1 4622736 VOBSDLZDGLAKPQ-GOSISDBHSA-N 371.387 2.419 0 40 FEAB COCCn1c(SCc2ccccn2)nnc1-c1cn(C)nc1OC 12422669 AVHPTZGAZLAFJA-UHFFFAOYSA-N 360.443 2.021 0 40 FEAB Cc1cc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)no1 2055751384 QLCYYPSPDQTOOW-UHFFFAOYSA-N 368.437 2.302 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(OC)C3)cc1 585319937 MJSKSVNIAJNBJW-STQMWFEESA-N 354.428 2.195 0 40 FEAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)c1 23157833 OTHPCSVWEPTVPX-OAHLLOKOSA-N 374.466 2.360 0 40 FEAB O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 75155774 BOFXJTFKMPOFBT-GOSISDBHSA-N 362.788 2.368 0 40 FEAB CCN1CCN(C(=S)SCC(=O)N(C)Cc2ccccc2)CC1 215680170 IPQBTRMBKKYCNG-UHFFFAOYSA-N 351.541 2.301 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCN(C[C@H]2CCCO2)CC1 40120300 VOYUYUXVATXXAB-CQSZACIVSA-N 357.376 2.427 0 40 FEAB CCn1c(=O)n(C[C@@H](O)COc2ccc(NC(C)=O)cc2)c2ccccc21 30531044 RZHLUVBYWQXSTC-MRXNPFEDSA-N 369.421 2.221 0 40 FEAB CC(C)(C)c1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1 20629187 POJLPCTWRQZIOW-UHFFFAOYSA-N 368.484 2.143 0 40 FEAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4ccco4)n3)cc2N1 20733193 OSWYPUGYKBPNAI-UHFFFAOYSA-N 368.349 2.056 0 40 FEAB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2 20725375 PJKAXTXBZQRUKZ-OAHLLOKOSA-N 364.361 2.090 0 40 FEAB C[C@H](NC(=O)Cn1nnc(COc2ccccc2)n1)c1ccc(F)cc1F 51869829 FHAYLDWSJDWXOG-LBPRGKRZSA-N 373.363 2.408 0 40 FEAB CC1(C)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)OC2CCCCC2)N1C=O 1761395 YJRSLMHFMDBVDB-GJZGRUSLSA-N 368.499 2.163 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 3293157 QTVZWICEJOFVQD-UHFFFAOYSA-N 369.377 2.235 0 40 FEAB O=C(c1ccccn1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32820361 UIMPBQDCQKLLHN-UHFFFAOYSA-N 371.462 2.459 0 40 FEAB C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)NC[C@@H]4CCCO4)c(O)n1c23 4326517 HCRRRCLFVWQSHL-MFKMUULPSA-N 360.385 2.262 0 40 FEAB COc1ccc(-n2c(=O)[nH]c3c(sc4ncccc43)c2=O)cc1OC 32951134 GPPQDLNCXKPGBG-UHFFFAOYSA-N 355.375 2.306 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 47031384 WABMWSOVTQSYKE-AWEZNQCLSA-N 353.444 2.390 0 40 FEAB Cc1ccc(F)c(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 96001777 QHDTYBBKDXIOON-OAHLLOKOSA-N 371.372 2.131 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(=O)[nH]c2ccccc12 22994669 ZZBORDQLVKNJHR-UHFFFAOYSA-N 350.378 2.012 0 40 FEAB Cc1csc(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1 23149819 RSXQWTZVUTWSHN-UHFFFAOYSA-N 351.815 2.147 0 40 FEAB Cc1cccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 3079519 ILQBJQSFDNVWIR-KRWDZBQOSA-N 369.421 2.494 0 40 FEAB CN1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@H](c2ccccc2)C1 23010515 HWFZZZPPQSFOOZ-SFHVURJKSA-N 365.433 2.023 0 40 FEAB CC(C)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350529 ZHOVXYWPPCDCGZ-UHFFFAOYSA-N 373.482 2.495 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 72284189 SFJAJXMJFHAARD-OAQYLSRUSA-N 354.450 2.161 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(F)cc3)CC1)C2=O 24014211 ZIBSDNOEHHZRDM-UHFFFAOYSA-N 374.460 2.406 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1O 100998035 BOSTVRLNGVRLQM-CPCNMJHFSA-N 372.808 2.037 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1F 56826188 ONHPNXXNEOKXEH-AWEZNQCLSA-N 360.385 2.434 0 40 FEAB O=C1NCCCC[C@@H]1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 56978796 DMXRPVBEYFRQDN-GXTWGEPZSA-N 370.236 2.271 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 26788576 HMWCAVSSYDYNQQ-UHFFFAOYSA-N 352.390 2.260 0 40 FEAB CCOC(=O)C1(NC(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 58166947 SPEQLYZIDNWWMU-UHFFFAOYSA-N 353.440 2.086 0 40 FEAB O=C(Nc1cccc(CN2CCOCC2)c1)[C@@H]1COc2ccccc2O1 58180062 XLMFCWZULBFKRR-IBGZPJMESA-N 354.406 2.297 0 40 FEAB CCOc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(C(F)(F)F)c1 58181603 QXRDABJZDKJPKD-UHFFFAOYSA-N 373.375 2.255 0 40 FEAB CCC(CC)NC(=O)[C@@H]1CN(Cc2ccn(C)c(=O)c2)c2ccccc2O1 58185569 VVGWKPBYXNRMPW-IBGZPJMESA-N 369.465 2.458 0 40 FEAB O=C(CNc1ccc(F)cc1OCCO)Nc1cccc2nsnc12 58192105 VROFWTZSVIIKEH-UHFFFAOYSA-N 362.386 2.252 0 40 FEAB CCc1nnsc1C(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 25242898 HTAJSFNXADPKOD-UHFFFAOYSA-N 370.434 2.445 0 40 FEAB COc1cccc(CN2CCC(NC(=O)/C=C/c3cnn(C)c3)CC2)c1 58225009 IKZKLAVFFBZWOC-VOTSOKGWSA-N 354.454 2.223 0 40 FEAB O=C(COC1CCCC1)NCCNC(=O)c1cccc(Br)c1 58217874 HFIQUHPHUPHNJY-UHFFFAOYSA-N 369.259 2.254 0 40 FEAB CCOC(=O)CCCC[C@@H](C(=O)OC)C(=O)[C@@H](C)NC(=O)OC(C)(C)C 22052603 QJOWBWKFPGEJSO-CHWSQXEVSA-N 373.446 2.381 0 40 FEAB in-vitro COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20768348 TVPYRKTWQPXXCW-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB CCOC(=O)[C@H]1CCCN(Cn2c(=O)c3ccccc3n3nc(C)cc23)C1 28890951 QTRXMOPODZVBNL-HNNXBMFYSA-N 368.437 2.190 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 12761163 TVOTUXNIADIQIJ-UHFFFAOYSA-N 365.382 2.399 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1 12816199 UGKUWEFKJJEJQC-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12817106 RSHYIRJTGLQFSN-LBPRGKRZSA-N 355.369 2.488 0 40 FEAB c1csc(-c2noc(CCCCCNc3ccc4nnnn4n3)n2)c1 12804687 DWOHGULEVBJONM-UHFFFAOYSA-N 356.415 2.456 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 8708720 TXJKYBZSXQXVIK-NSHDSACASA-N 359.304 2.244 0 40 FEAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc2c(c1)CCC2 4166614 NIQLVBJPTKTJIR-SFHVURJKSA-N 353.374 2.497 0 40 FEAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 13690212 HRGKTCIKZQQXES-HNNXBMFYSA-N 368.393 2.214 0 40 FEAB COc1cc(-c2nnc(SCC(=O)NC3CC3)o2)cc(OC)c1OC 5019877 DZKKUHDCCZVBAK-UHFFFAOYSA-N 365.411 2.133 0 40 FEAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C 4386563 LRMJONUAYXJXMA-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB CN(C)CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 5207905 GANJEJGHTFICKD-UHFFFAOYSA-N 368.264 2.495 0 40 FEAB Cc1ccccc1-c1nn(CN(C)[C@H]2CCS(=O)(=O)C2)c(=S)n1C 14166630 FVOSFNMAXJXVAZ-ZDUSSCGKSA-N 366.512 2.003 0 40 FEAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 14140038 NQAYAUAXFZIQME-UHFFFAOYSA-N 370.405 2.088 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 14202406 ZIYSTXQJSLFRAZ-VMPITWQZSA-N 371.418 2.178 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1ccc(C)s1)CC2 14244307 VBVPQUYFWNSMQC-UHFFFAOYSA-N 374.462 2.388 0 40 FEAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2nnc3ccccc3c2=O)c1C 6671869 AGQWOBXGAZSUGW-CYBMUJFWSA-N 354.410 2.300 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(F)c1 5883465 NMWKRWSBUBMJLJ-UHFFFAOYSA-N 372.443 2.185 0 40 FEAB NC(=O)c1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335972 LRWWGVOVTRITRS-UHFFFAOYSA-N 367.390 2.142 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)cc1 7323686 MAKABHANZJMMEV-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)N1CCO[C@H](c2ccccc2)C1 71284114 VOLSUYPPQBPXOW-SFHVURJKSA-N 365.437 2.274 0 40 FEAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16012919 BLGPLBYDOVDAHJ-MANSERQUSA-N 374.396 2.375 0 40 FEAB C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1 8165377 LQODSESILGCYIM-ZDUSSCGKSA-N 370.434 2.011 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCC1=CCCCC1 8238933 NMUNDIIMCIEGPI-ZDUSSCGKSA-N 354.447 2.499 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NC1CCN(Cc2ccccc2)CC1 8341301 CQFVZULQNHSZGR-UHFFFAOYSA-N 365.433 2.375 0 40 FEAB COc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1 19924037 XWFNFZYQDDPMQI-UHFFFAOYSA-N 367.413 2.213 0 40 FEAB COc1ccc(/C=C/C(=O)NCCCCN2CCC[C@@H]2CO)cc1OC 83957525 XPNGDYDQPWDLSJ-SYJIQKIWSA-N 362.470 2.070 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1F 9899036 HPUSFZTYNFCDHW-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB Cc1ccc(C[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)c2ccccn2)cc1 79094596 FZSDNEZSOKJRIO-GOSISDBHSA-N 363.421 2.162 0 40 FEAB CC[C@@H](CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1 95464477 RGRPFBZQNZOKHY-DOTOQJQBSA-N 360.454 2.352 0 40 FEAB COC(=O)c1ccc(-c2noc(C3(S(C)(=O)=O)CCCC3)n2)cc1 95963382 FJQNRSKKAKDYAE-UHFFFAOYSA-N 350.396 2.337 0 40 FEAB COc1cccc(-c2nc(C(=O)NC[C@H](C)CN3CCOCC3)c(C)[nH]2)c1 89547900 FGTUBJSMUGZMOX-AWEZNQCLSA-N 372.469 2.092 0 40 FEAB Cc1cccc(CN2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)c1 32522435 NCOMDZCENJGCFV-UHFFFAOYSA-N 369.465 2.442 0 40 FEAB CCOC(=O)c1ccc2c(c1)n(Cc1occc1C(=O)OC)c(=O)n2CC 32776744 JWQAMNUAKOPCTC-UHFFFAOYSA-N 372.377 2.428 0 40 FEAB Cc1ccccc1OCc1nnc(SCC(N)=O)n1Cc1ccco1 35312287 HZBDAHVEVCIENK-UHFFFAOYSA-N 358.423 2.384 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2F)C1)N1CCc2ccc(O)cc2C1 531508790 RPCVBNQJQWYZKD-HNNXBMFYSA-N 356.401 2.273 0 40 FEAB O=C(c1cnc2ccccn12)N1CCN(c2ncnc3ccsc23)CC1 534290800 DGRDMWCEQWJPLQ-UHFFFAOYSA-N 364.434 2.301 0 40 FEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 539498303 DZDFYPDGMSXLDM-UQOODKLHSA-N 374.481 2.104 0 40 FEAB COc1cc(COC[C@@H](O)CN2CCC(C)CC2)cc(OC)c1OC 6308204 YAAFCTKXTHNSEV-INIZCTEOSA-N 353.459 2.322 0 40 FEAB Cc1ccccc1OCn1ccc(C(=O)N[C@H](C)C(=O)N2CCCCC2)n1 72250016 NZHCHMYNCQQIIN-MRXNPFEDSA-N 370.453 2.359 0 40 FEAB O=S(=O)(NCc1ccccc1N1CCCC1)c1cnn(C(F)F)c1 36615186 SONWIOGORKLKPC-UHFFFAOYSA-N 356.398 2.357 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1N 72210869 SYAJHBSNUJGDTA-UHFFFAOYSA-N 356.245 2.247 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 225082553 IEFSPDUASQJZEF-UHFFFAOYSA-N 366.345 2.419 0 40 FEAB COc1ccc(CN(C)C(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225875692 PUAMDFQIGYWVPR-UHFFFAOYSA-N 369.468 2.104 0 40 FEAB Cc1ccc(N2CCO[C@]3(CCCN(Cc4csc(C)n4)C3)C2)nn1 96226684 BSSLLBIGJUPRHP-SFHVURJKSA-N 359.499 2.421 0 40 FEAB N[C@@H](Cc1cc(I)ccc1Br)C(=O)O 238608389 ZHOPNGDAOFYIHP-QMMMGPOBSA-N 369.984 2.008 0 40 FEAB COc1ccc(CC(=O)N2CCCC3(CCN(C(C)=O)CC3)C2)cc1OC 96156890 ZUNKUCPDKYDKJI-UHFFFAOYSA-N 374.481 2.497 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCCC[C@H]3C)c(=O)cc2OC)cc1 96101188 XHUJWXAEVGFMTR-CQSZACIVSA-N 371.437 2.329 0 40 FEAB COc1ccnc(N2CCc3[nH]nc(COCc4ccccc4)c3C2)n1 23192862 FSKGDBVSDPCAAZ-UHFFFAOYSA-N 351.410 2.488 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccs1 96216103 NIRHCSLRLSHOSZ-JLJPHGGASA-N 350.484 2.023 0 40 FEAB O=C(c1ccoc1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 247805429 ATLQXFAUVITTMM-CQSZACIVSA-N 352.398 2.041 0 40 FEAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccsc1 247501615 QEFFCOUTEQOHSV-INIZCTEOSA-N 374.510 2.233 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257303209 SGFHZVTYLRTXCK-CQSZACIVSA-N 367.446 2.390 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)CCc3ccnn3C)CC2)cn1 257287733 PRGWWPVRLDVWIE-OAHLLOKOSA-N 356.474 2.056 0 40 FEAB O=C(c1cnn2c(-c3cccs3)ccnc12)N1CCNC[C@@H]1C(F)F 585089259 PLMGWFPHQOALTA-GFCCVEGCSA-N 363.393 2.137 0 40 FEAB CN(C(=O)c1cc2c(nc1O)CCC2)[C@@H]1CCCN(c2ccccn2)C1 257283829 OZZVTFZLHLMVOL-OAHLLOKOSA-N 352.438 2.412 0 40 FEAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc4[nH]nnc4c3)C2)n1 257257708 KQUJBBKPFPOTTJ-HNNXBMFYSA-N 350.426 2.402 0 40 FEAB COc1ccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC 255977229 HRDVPEGYZCNYSZ-HUUCEWRRSA-N 365.474 2.303 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)s1 257201672 AINBLGBYMRCEDO-MRXNPFEDSA-N 358.454 2.294 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)C(C)C 260910311 XXFVJPHPFQPERW-CJNGLKHVSA-N 356.488 2.401 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cc3ccccc3[nH]2)C1 1775957220 JHZXMXZLRYXUTF-CJNGLKHVSA-N 351.410 2.308 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644073233 MKJMPWLXJDIGRT-OAGGEKHMSA-N 356.388 2.352 0 40 FEAB CN(CCC(=O)O)S(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 645964442 SSVQAVCOXMFYRO-INIZCTEOSA-N 365.455 2.346 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2nccc(N3CCCC3)n2)cc1OC 96120755 JDWWCZNQIIRDLS-SOFGYWHQSA-N 368.437 2.424 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21)N1CCCC1 585111941 DYCKTUROOANRJR-QGZVFWFLSA-N 354.458 2.031 0 40 FEAB O=c1[nH]nc(SCc2nc(-c3cccs3)no2)n1C[C@H]1CCCO1 57481028 BAMSTQBGNIHEDO-SECBINFHSA-N 365.440 2.154 0 40 FEAB Brc1ccccc1CN1CCN(c2ccc3nncn3n2)CC1 106093291 OFCKGQBEZHOMPH-UHFFFAOYSA-N 373.258 2.209 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 5127185 CAAVHMRFXBZQFS-UHFFFAOYSA-N 354.453 2.046 0 40 FEAB Cc1ccc(C(=O)NCc2ccccn2)cc1N1CCCCS1(=O)=O 5381192 GHMAKWRZHWTPDB-UHFFFAOYSA-N 359.451 2.250 0 40 FEAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccc3nccnc13)C2 19402340 KFIWFOFVXHUSNV-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB COCCNc1nc([C@H]2CCCN(C(=O)CCOC)C2)cc2ncccc12 19593135 PQYIFACGBMWZRL-HNNXBMFYSA-N 372.469 2.431 0 40 FEAB Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)[nH]c1=O 19666219 PTKWQGNNTAMHQY-UHFFFAOYSA-N 367.409 2.181 0 40 FEAB CNC(=O)c1ccc(-c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)nc1C 19700752 SSOKBYVTQTURKD-SFHVURJKSA-N 353.422 2.212 0 40 FEAB C[C@]1(C(=O)NCCCOc2ccccc2F)CC(=O)N2C=CC=CC2=N1 19716721 BMLZAYUBIJRNRE-LJQANCHMSA-N 357.385 2.184 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@@H]4C3)n1)CCC2 1888866952 HIEXILUMWFXWEX-KBPBESRZSA-N 367.428 2.016 0 40 FEAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(N2CCOCC2)CCC1 1776008985 UKSQCLSBIPQELD-UHFFFAOYSA-N 372.444 2.211 0 40 FEAB Cc1cc(I)ccc1NC(=O)CN1CCO[C@@H](C)C1 24014631 VDUJBPQWWNELSN-NSHDSACASA-N 374.222 2.259 0 40 FEAB O=C(CN1CCC(C(=O)NCc2ccncc2)CC1)Nc1ccc(F)cc1 9068250 DZLPTWISFFYHRY-UHFFFAOYSA-N 370.428 2.188 0 40 FEAB O=C(O)c1cc(COc2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1 2048532684 FIMMKUGFXNAMQH-UHFFFAOYSA-N 360.274 2.058 0 40 FEAB CCCCC(=O)/N=c1\sc2cc(S(C)(=O)=O)ccc2n1CCOC 100872835 NWPDPJALZGDTIM-MSUUIHNZSA-N 370.496 2.370 0 40 FEAB CCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 20068859 VDAJLYPMVMEOGC-LSDHHAIUSA-N 361.471 2.271 0 40 FEAB CCOc1ccc(C(=O)[C@@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 31762279 CZFYBCMXYPVWTR-GFCCVEGCSA-N 365.393 2.282 0 40 FEAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1 31812054 BMDROYGLWYUVAO-KRWDZBQOSA-N 360.389 2.159 0 40 FEAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(=O)O)cc1 20946146 VPBQVKMFWFZBLQ-OAHLLOKOSA-N 371.397 2.394 0 40 FEAB C[C@H](OCCCNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 32795526 DEAQTVWOTJEGHV-KRWDZBQOSA-N 369.469 2.476 0 40 FEAB O=C(Cc1ccccc1)NC[C@@H](C(=O)O)N1CCCC[C@@H]1c1cccnc1 3999484 KSYSDRSDSATWKN-MOPGFXCFSA-N 367.449 2.421 0 40 FEAB biogenic CCN(c1ccc(C(=O)NCc2ccccc2OC)cc1)S(C)(=O)=O 10008560 CCTBAOBGCPICKY-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 2780072 PJQZPMCIZLCPBX-UHFFFAOYSA-N 362.407 2.162 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1c(F)cccc1F 8169472 CPXGRKPHCXLNPU-UHFFFAOYSA-N 368.405 2.408 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560407 CSVKROXJCSURTO-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB COc1ccc(-c2nc(C(=O)NCCCN3CCOCC3)cs2)cc1 53274403 SZIMKFBLKRCINJ-UHFFFAOYSA-N 361.467 2.271 0 40 FEAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCN1CCOCC1 22690202 HIHIPJRLHRXPSM-UHFFFAOYSA-N 363.845 2.376 0 40 FEAB CCN(Cc1c(F)cccc1F)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 104209921 MMWVRDOEBUTRNO-GNTOHDJUSA-N 374.387 2.120 0 40 FEAB Cc1ccc(F)cc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108528769 ACQHBQYWZJXPOU-QGZVFWFLSA-N 370.490 2.197 0 40 FEAB Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 97013293 IYWJLFPRRYCQTF-NSHDSACASA-N 371.260 2.162 0 40 FEAB NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 24599322 POZCCFCAUQHPEC-UHFFFAOYSA-N 351.406 2.276 0 40 FEAB C[C@@H]1CN([C@H](C)CNC(=O)Nc2ccccc2-n2cccn2)C[C@@H](C)O1 106087118 MXNALPVIRXDDAR-BZUAXINKSA-N 357.458 2.492 0 40 FEAB Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4C(C)(C)C)CC2)n1 97022080 QBYPOGJTWJWXHQ-UHFFFAOYSA-N 366.473 2.315 0 40 FEAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(C(N)=O)cc1 12557420 WIQDWXJGGRCUIZ-LBPRGKRZSA-N 355.394 2.386 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(Br)o1 25290210 MWQFGXXTYADAAA-UHFFFAOYSA-N 366.215 2.204 0 40 FEAB O=C(COc1cccc(Oc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 3229767 PGWSBEAJTQPEGF-CQSZACIVSA-N 361.419 2.161 0 40 FEAB C[C@@H](NC(=O)c1ccncc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769364 QWPLVTOYVKOPEW-GFCCVEGCSA-N 367.409 2.215 0 40 FEAB CCn1c(SCC(=O)NCc2ccc(C)o2)nc2cc(C)[nH]c2c1=O 57522126 AVPCTUDLIADODT-UHFFFAOYSA-N 360.439 2.363 0 40 FEAB O[C@@H](CN1CCN(Cc2csc3ccccc23)CC1)Cn1cccn1 48260621 LLKYYNRVJJMUMG-KRWDZBQOSA-N 356.495 2.277 0 40 FEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2cccs2)CC1 101610705 XNMFPDOOEUNTDZ-YUELXQCFSA-N 368.524 2.454 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 54670819 OHEWRGOAIJXQLH-NVXWUHKLSA-N 358.438 2.210 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 22271883 OBIIVXBPCVLFFV-CQSZACIVSA-N 362.451 2.193 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)c1 58195058 LNPWWDNHCOPWMV-QGZVFWFLSA-N 364.467 2.055 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 3316564 PDENFFQEQSKPGU-QGZVFWFLSA-N 374.462 2.421 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 58226835 QLLWVIVNZSAJDI-KURKYZTESA-N 350.507 2.140 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)no1 27939783 YTGDYDSEJLQDRY-GFCCVEGCSA-N 365.430 2.138 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(=O)OC)cc1 2258097 FQBBBKJBCNNLRB-YGRLFVJLSA-N 374.418 2.295 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 12760549 PSWZTVRUBDBTLX-UHFFFAOYSA-N 351.353 2.404 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1cccc2ccccc12 21559346 YCFVSHFYKUJULK-HNNXBMFYSA-N 354.406 2.444 0 40 FEAB COc1ccc(CCN(C)C(=O)CNC(=O)c2ccccc2F)cc1OC 3456291 BPSQXYTUEBWPAM-UHFFFAOYSA-N 374.412 2.274 0 40 FEAB CCCCCNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 17322478 NQKNDYFWLYVRME-UHFFFAOYSA-N 353.426 2.348 0 40 FEAB COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 6235025 KAZDTTNEMBVKKG-UHFFFAOYSA-N 364.423 2.389 0 40 FEAB O=C(c1cnccn1)N1CC2(C[C@@H](COCC3CC3)CCN2CC2CC2)C1 306131047 JVHOUHZHXLNKDS-SFHVURJKSA-N 370.497 2.220 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@H]1CC[C@@H]2C(=O)O 118924251 CJYUFWOVLMFZOX-HOYBRIFYSA-N 366.454 2.270 0 40 FEAB CCOC(=O)c1c(NC(=O)NCCCN)sc2c1CC(C)(C)OC2 6663498 BCONQGANVYSTFZ-UHFFFAOYSA-N 355.460 2.246 0 40 FEAB O=C(NCc1cccs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5617201 RBPVHTCZSSHLON-LBPRGKRZSA-N 358.419 2.189 0 40 FEAB CCOC[C@@H]1CCN(CC2CC2)C2(C1)CN(C(=O)Cc1ccccn1)C2 306140577 UXQJNAIHZJRKTK-GOSISDBHSA-N 357.498 2.364 0 40 FEAB CCN(C(=O)CSc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 7141416 IOKGBYUCBRYZES-CQSZACIVSA-N 364.492 2.363 0 40 FEAB COc1cccc(OC)c1OC1CCN(C(=O)c2cccc[n+]2[O-])CC1 80140575 SLKYAIDUEFEJTK-UHFFFAOYSA-N 358.394 2.021 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCOc2ccccc21 7215836 QXGRMKGZPPIANE-MRXNPFEDSA-N 350.374 2.313 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1OC 16461833 GZIKJXVSVFPYST-UHFFFAOYSA-N 361.379 2.221 0 40 FEAB CC(C)N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 8272624 OGMYYHMCRBUJCW-SNVBAGLBSA-N 372.206 2.487 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCO[C@H](c4noc(C)n4)C3)[nH]n2)cc1 96000741 PLXXHYXJVIQEIB-INIZCTEOSA-N 353.382 2.290 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NOCc2ccccc2)c1 23040053 RIUARFSLRYGEGX-UHFFFAOYSA-N 362.451 2.220 0 40 FEAB CCn1c(SCC(=O)NC(=O)c2cccn2C)nnc1-c1ccoc1C 9455351 PAYHXPDPUHVYKP-UHFFFAOYSA-N 373.438 2.254 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 9516078 UITFXTGCSIWQBF-KRWDZBQOSA-N 367.808 2.158 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1 95367617 XCPLIGYREVNQGV-MRXNPFEDSA-N 352.456 2.321 0 40 FEAB O=C1OCc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cnc3O)cc21 95447934 BYFSOXVTVBDLLL-UHFFFAOYSA-N 374.296 2.277 0 40 FEAB CS(=O)(=O)Cc1nc(CN2CC[C@@H](C(=O)O)c3ccccc32)cs1 517588477 MOFIMQDQBSPRFR-CYBMUJFWSA-N 366.464 2.266 0 40 FEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3ccccn3)cc2O1 79189452 FOOYBCUKDQKJFP-UHFFFAOYSA-N 370.405 2.269 0 40 FEAB biogenic C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCCCC1 71328807 UPIRVDAQWNHROF-MRXNPFEDSA-N 373.501 2.141 0 40 FEAB Cc1cc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)no1 62022976 VFHJMKDFCQBBQV-LLVKDONJSA-N 353.338 2.139 0 40 FEAB O=S(=O)(C1CC1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 608019634 RMMXXAQNKIEFCV-UHFFFAOYSA-N 364.389 2.195 0 40 FEAB O=C(NCCn1ccc2cc(Cl)ccc21)N1CCC[C@H](OCCO)C1 576135777 DHIUPQASBJXPCC-INIZCTEOSA-N 365.861 2.478 0 40 FEAB Cc1cccc(OCC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1 583617854 ZVGIQJZFMWEWEI-LJQANCHMSA-N 358.442 2.056 0 40 FEAB O=C(c1cccnc1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96209143 PSCDUMUVXIGGBR-OAGGEKHMSA-N 354.410 2.062 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 96062507 KPOXHPLOKUFXOT-FQEVSTJZSA-N 354.454 2.214 0 40 FEAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccc(F)c(F)c32)co1 332041611 KWTCXSILEVFEHN-UHFFFAOYSA-N 370.377 2.401 0 40 FEAB COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1 96208080 DFEBKYAXMRGCRX-IEBWSBKVSA-N 350.434 2.102 0 40 FEAB CCN(C)c1ncnc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 96255807 ZAOJXIFWSKMRBM-UHFFFAOYSA-N 357.433 2.382 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)n1 248056481 CDRVAYGLULGMAH-MRXNPFEDSA-N 353.422 2.233 0 40 FEAB Cc1cc(C(=O)NCc2nc(-c3ccccn3)n[nH]2)nn1[C@@H](C)C1CC1 584513846 SGQXMSMVKNDDLE-LBPRGKRZSA-N 351.414 2.273 0 40 FEAB Cc1cc(C(=O)N2CC3(CC[C@H](CN(C)Cc4ccco4)CO3)C2)on1 248153259 YITZLONHCGKYAJ-OAHLLOKOSA-N 359.426 2.329 0 40 FEAB Cc1cc(C)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)c(=O)n1 257267682 MIIGNWWCANKRAF-UHOSZYNNSA-N 367.449 2.176 0 40 FEAB O=C(O)C[S@@H](C(=O)N1CCOCC1)c1ccc(Br)cc1 256055808 VBZCHDARUJBIDS-UHFFFAOYSA-N 362.245 2.346 0 40 FEAB O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(F)cc3)nn12 254712397 CXMSGQNBFFOBLX-UHFFFAOYSA-N 368.349 2.413 0 40 FEAB COc1ccccc1N(CCCC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260913056 ZVGJDFDKMROGAC-CQSZACIVSA-N 356.488 2.402 0 40 FEAB CC=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 1775969233 DQMWXYFFOAGGRF-BETUJISGSA-N 350.440 2.056 0 40 FEAB CN1CCCC[C@@H](CNC(=O)NCc2nc(Cc3ccccc3)no2)C1 1119943098 ZAOWEKXZQAURSV-INIZCTEOSA-N 357.458 2.192 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCC2)Nc1ncc(-c2ccc(F)cc2)s1 649963051 RVADZYBQCPZRRO-UHFFFAOYSA-N 373.413 2.282 0 40 FEAB CC[C@@H](Cc1ccc(NS(=O)(=O)N2CCC(OC)CC2)cc1)C(=O)O 656512374 JQWWFZCQGMNNMD-AWEZNQCLSA-N 370.471 2.107 0 40 FEAB Nc1nnc(CNC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)o1 585091074 TUVFSXHUDIJNKT-UHFFFAOYSA-N 356.304 2.289 0 40 FEAB CN(C)C(=O)[C@@]1(C)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585283211 LYWDLUSBLZDLNX-NRSPTQNISA-N 360.498 2.254 0 40 FEAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)[C@H]1CCCS1 585098410 XQYVWRVNINYGLJ-CHWSQXEVSA-N 359.455 2.051 0 40 FEAB COc1ccc(S(=O)(=O)CCC(=O)NCC2CCCC2)cc1OC 62444852 YXBIAUNHESWAPV-UHFFFAOYSA-N 355.456 2.174 0 40 FEAB COc1cc(C(C)=O)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 5379193 LNKHYSAIYCDQQT-UHFFFAOYSA-N 367.357 2.490 0 40 FEAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1ccc(Cl)cc1 5035249 MNYOCRLPJXJLGH-UHFFFAOYSA-N 353.769 2.336 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 5195286 FRFFBANZFXDPLA-CQSZACIVSA-N 370.405 2.248 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccccc1)C(=O)O 5633072 TVRHFFMWZVUYHJ-IAGOWNOFSA-N 362.470 2.376 0 40 FEAB Cc1ccc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1F 12487918 KPGYSXGFDFGVCQ-UHFFFAOYSA-N 350.415 2.031 0 40 FEAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@]12C(=O)Nc1ccccc12 13629543 HBUYVHDWUDHFLQ-FQEVSTJZSA-N 363.373 2.335 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCc3ccccc32)cc1 16471846 QHEOJEZJDISGLV-GOSISDBHSA-N 358.463 2.419 0 40 FEAB Cc1cc2nc([C@H]3CCN(C(=O)c4sc(C)nc4C)C3)cc(O)n2n1 19129815 KXEAHTAKUYEPBE-LBPRGKRZSA-N 357.439 2.446 0 40 FEAB O=C([C@@H]1CN2CCC1CC2)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19344699 STMDJVPTHZIQMP-ZIAGYGMSSA-N 374.466 2.040 0 40 FEAB CN(C)C(=O)Cn1c(C2CC2)c(CN2CCC[C@H](CO)C2)c2cccnc21 19581268 ZKNFRIWMGYRMSZ-HNNXBMFYSA-N 370.497 2.206 0 40 FEAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccccc1-n1ccnc1 19658530 SPTWTEBSOQDIEU-INIZCTEOSA-N 350.426 2.172 0 40 FEAB Cn1nc(C(=O)/N=c2\sc3ccccc3n2C)c2ccccc2c1=O 6332285 NMBSDHKDKSCQEL-HNENSFHCSA-N 350.403 2.228 0 40 FEAB O=C(O)c1cnc(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)cn1 630276250 RWPPZMVDZOLCKZ-UHFFFAOYSA-N 351.284 2.392 0 40 FEAB O=C(O)COc1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1 663038132 MGTYMAFZKRRSIL-OAQYLSRUSA-N 367.401 2.464 0 40 FEAB CCCCn1nnnc1COC(=O)C[C@@H]1Sc2ccccc2NC1=O 5473567 KKAFPBPRSPUFEN-ZDUSSCGKSA-N 361.427 2.020 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CC(N)=O)cc1 24489323 HLOWVVIPSBFEED-UHFFFAOYSA-N 350.378 2.161 0 40 FEAB CN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(CC3CC3)C[C@@H]21 2037985867 ZDGCWINIKDYOHF-AZUAARDMSA-N 358.482 2.340 0 40 FEAB c1ccc(-c2ccnc(N3CCN(c4ncnc5ncccc45)CC3)n2)nc1 2087048823 DYLDQTWCVMNRPJ-UHFFFAOYSA-N 370.420 2.203 0 40 FEAB CCN1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 4087228 ZQVNUOBFTKYLIF-UHFFFAOYSA-N 359.451 2.243 0 40 FEAB O=S(=O)(Cc1ccccc1)NCCCN1CCN(c2ccccc2)CC1 12068965 MENIYYYIWZBIHV-UHFFFAOYSA-N 373.522 2.318 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 2055824363 ISOYIESHXGVPAG-YLJYHZDGSA-N 354.454 2.020 0 40 FEAB O=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1ccoc1 575620135 KPPBFCFFCTZUOA-UHFFFAOYSA-N 366.377 2.279 0 40 FEAB COc1cccc(CC(=O)N2CCc3nc(C4CCNCC4)ncc3C2)c1 19564454 PAJDRUVRPLPNDG-UHFFFAOYSA-N 366.465 2.080 0 40 FEAB COc1cccc(NC(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c1OC 85559648 CHDNMHGDQNCYTK-HNNXBMFYSA-N 358.394 2.494 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 23428988 UBLOTQLOBHMJRM-HOTGVXAUSA-N 350.484 2.394 0 40 FEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)NC)c2C)C1 40134099 FJRKPZCWIZXWDL-HNNXBMFYSA-N 374.485 2.467 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1Br 32551688 BQVHFCHBQUCCFB-UHFFFAOYSA-N 374.260 2.012 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)c2ccccc2O1 29767929 XQCHYSQPGYXQGS-GOSISDBHSA-N 350.374 2.003 0 40 FEAB CCOC(=O)N1CCN(Cn2nc(C)n(-c3ccccc3)c2=S)CC1 21320747 DWSALGSZPIWEJW-UHFFFAOYSA-N 361.471 2.443 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2C)cc1OC 1355984 ZBNWMJDENFTURZ-UHFFFAOYSA-N 350.444 2.116 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2cccs2)cc1C 3380432 SWPLCRAPQSJXAN-UHFFFAOYSA-N 352.481 2.350 0 40 FEAB O=C1CN(C(=O)CCC(=O)N2CCc3sccc3C2)c2ccccc2N1 21627443 OKSIOPCQAFJZTO-UHFFFAOYSA-N 369.446 2.398 0 40 FEAB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387387 PHQUVNZHPNRIJE-GIPNMCIBSA-N 366.723 2.124 0 40 FEAB CCC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)c1ccccc1 32908339 KQMQXLVICQIORT-INIZCTEOSA-N 366.421 2.376 0 40 FEAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1 10434499 XQKFAOYDPDKWIO-INIZCTEOSA-N 370.515 2.389 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@](O)(Nc1ccc(C)cc1C)CS2 102916222 NVXYHBWYZQPWRU-QGZVFWFLSA-N 360.487 2.068 0 40 FEAB CCOCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 51318047 HMAKJRBMUOZIKX-UHFFFAOYSA-N 367.247 2.495 0 40 FEAB O=C(NC1CCN(Cn2nnc(-c3ccccc3)n2)CC1)c1ccccc1 22004070 FLQWBIIEPVJZMZ-UHFFFAOYSA-N 362.437 2.192 0 40 FEAB CCn1cnnc1CNC(=O)N(C)Cc1cc(Br)cs1 46965165 QCYMGNYRYSRBPQ-UHFFFAOYSA-N 358.265 2.464 0 40 FEAB COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1 2922851 JQIXSULXWUTLDQ-UHFFFAOYSA-N 353.378 2.132 0 40 FEAB CCOc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccco2)cc1 22901713 HZZCESPXGFVHBT-UHFFFAOYSA-N 358.394 2.187 0 40 FEAB C[C@@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)c2ccccc21 59897325 LGSGUDGCCWYCBB-CYBMUJFWSA-N 369.446 2.266 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccsc1 23957976 NAOPILOMZBOKPP-NSHDSACASA-N 356.444 2.213 0 40 FEAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(C(N)=O)cc3)cccc2c1 12539245 XGUYGGYSHKGEDV-UHFFFAOYSA-N 369.446 2.463 0 40 FEAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)NC2CC2)C1 55339524 OFZUNIKJOWDCKM-JTQLQIEISA-N 367.247 2.367 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)N(C)C)cc1 25174666 KJGFTTFSZYFDMT-KRWDZBQOSA-N 369.421 2.059 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1ccc(Br)o1 170192443 RNKOVYNAJBPQGL-SNVBAGLBSA-N 368.183 2.277 0 40 FEAB Cc1ccc([C@H](NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2)cc1 108174524 XUTNZWXHRWIRFF-CWFSZBLJSA-N 366.461 2.476 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1OC 109049877 AEKZBCWOHWSMAP-HLLBOEOZSA-N 362.470 2.418 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1 48286474 YVWUIWFRGKOGTM-UHFFFAOYSA-N 372.429 2.452 0 40 FEAB Cc1csc(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1 58344265 DQLVOSKNQYXDEV-UHFFFAOYSA-N 373.887 2.449 0 40 FEAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 58415414 KUKIQXOVXOTSDQ-UHFFFAOYSA-N 354.406 2.224 0 40 FEAB CCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 21282010 CSOJVEPMCWJJLB-UHFFFAOYSA-N 358.470 2.274 0 40 FEAB CCCc1n[nH]c(SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 11466871 LJUMEKAVSJDKIR-GRYCIOLGSA-N 353.492 2.500 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 68682546 FRMSMMBUEPOYJZ-GFCCVEGCSA-N 374.890 2.135 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)Oc1ccc(F)cc1)C2=O 8708279 KJQBLFYTNZMYFB-LASWEOPPSA-N 363.389 2.125 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccco2)cc1 5060800 YWAITPKCRYBPMY-UHFFFAOYSA-N 366.439 2.005 0 40 FEAB Cc1cc(OCC(=O)NCCCN(C)C)c2c3c(c(=O)oc2c1)CCCC3 5205356 RWQFQNSQASDDGS-UHFFFAOYSA-N 372.465 2.427 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 5206330 CANHGPBZPKTXDD-LBPRGKRZSA-N 351.362 2.383 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2C)cc(C)c1C 14142164 ZEZJLRJOHZXWKY-UHFFFAOYSA-N 360.479 2.492 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2 14211018 ZIVNFTUGGYEADY-LLVKDONJSA-N 374.418 2.340 0 40 FEAB COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 66193462 OMDWKQFJFABFPD-MSOLQXFVSA-N 372.513 2.401 0 40 FEAB COC[C@H](C)NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 408680960 UONMIWZVERVJTD-LBPRGKRZSA-N 362.879 2.037 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)on1 96005353 XVFTWEDKMPRJKF-CQSZACIVSA-N 369.487 2.265 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 7667804 LSBUIUCPUGPVPF-UHFFFAOYSA-N 360.435 2.101 0 40 FEAB CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1 113944704 VOPASKILCYRCSM-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 8193076 LJUHSGJLJOCQEJ-INIZCTEOSA-N 358.486 2.203 0 40 FEAB CNC(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 72309958 HIQRZAFXZROSDH-GFCCVEGCSA-N 357.376 2.368 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-n2cnnn2)cc1 72402493 INVYMAQNIHWKJR-UHFFFAOYSA-N 350.357 2.255 0 40 FEAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1OC 95467457 YEZYUXZQTVMHPS-ZDUSSCGKSA-N 356.488 2.055 0 40 FEAB CCc1cc(=O)n2nc(N3CC(c4nc5ccccc5[nH]4)C3)sc2n1 79102868 KCXKKRKLZCTVRZ-UHFFFAOYSA-N 352.423 2.194 0 40 FEAB CC(C)(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C[C@H]1O 95993560 BUJOZRWSCWJQEM-UKRRQHHQSA-N 372.462 2.066 0 40 FEAB CCCNC(=O)[C@H](C)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95955993 BGSXPROVHIFVOI-INIZCTEOSA-N 353.470 2.180 0 40 FEAB O=S(=O)(C[C@@H]1CCOC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 117914531 RHFXPEIWGXKDOF-WBVHZDCISA-N 357.447 2.173 0 40 FEAB COc1ccccc1Cn1cc(C(=O)N=c2[nH]cc[nH]2)c2ccccc2c1=O 79477068 FFNCCVFJFAFZTO-UHFFFAOYSA-N 374.400 2.456 0 40 FEAB COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2ccccn12 89400655 XVFAJXADEWWAQQ-LLVKDONJSA-N 371.846 2.094 0 40 FEAB CN(CCCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 21905159 HPPKYVMUOGECFH-UHFFFAOYSA-N 361.467 2.314 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2ncccn2)C1 32461844 ZINKSMZDRHDGDD-HNNXBMFYSA-N 364.453 2.318 0 40 FEAB CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)CC1 35426260 RJATZPHACCDICP-INIZCTEOSA-N 356.474 2.429 0 40 FEAB biogenic,in-vitro O=C(CCn1c(=O)nc(O)c2ccccc21)N1CCc2cc(F)ccc21 513727099 FRABNJFAOTXISV-UHFFFAOYSA-N 353.353 2.221 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 34261560 KRQFHVODDIVWQR-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccnc3nccn23)C1 72360633 PILMTQFWRSNISG-WBVHZDCISA-N 367.428 2.144 0 40 FEAB Cn1nc(N2CCC[C@H](C(=O)Nc3nc4ccccc4s3)C2)ccc1=O 77100941 SZYZIXZLDXJPFH-LBPRGKRZSA-N 369.450 2.245 0 40 FEAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3cnc4ccccc4c3)CCN12 85436228 WVMFNPMPNLHBOR-LJQANCHMSA-N 366.465 2.336 0 40 FEAB biogenic,in-vitro C[C@H](CN1CCOCC1)N(C)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 529208141 MSMYEKICQFMBED-GFCCVEGCSA-N 374.407 2.031 0 40 FEAB Cc1cccc(CN2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 96249877 UDSDIGRICXRKGY-VQIMIIECSA-N 355.438 2.346 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2nccc(NCC3CC3)n2)cn1 96214927 SKJADHHRPYWAQR-MRXNPFEDSA-N 353.426 2.216 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)c1cc2ccccc2s1 1589091561 DFTDUZTYSWSJLA-DGCLKSJQSA-N 360.435 2.402 0 40 FEAB Cc1ccc([C@@H](O)[C@@](Cl)(I)S(C)(=O)=O)cc1 96519995 QILQUSFTGDOABO-NXEZZACHSA-N 374.627 2.401 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@]2(CCCN(c3ccc(C)nn3)C2)C1 96217157 CBERKVIISURJEB-QGZVFWFLSA-N 352.504 2.207 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)o1 96057564 FLPDTNORKJLXOQ-BZUAXINKSA-N 358.394 2.260 0 40 FEAB COc1cc(CN2Cc3ccnn3C[C@@H](CCN(C)C)C2)cc(OC)c1 248139577 SXUUODKXWPAMIM-INIZCTEOSA-N 358.486 2.484 0 40 FEAB CNc1cc(C)nc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)c1 257339921 ZDTCZZJHYYJJOI-AWEZNQCLSA-N 350.426 2.193 0 40 FEAB C[C@@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027962 LWVMOIRYCRNZBA-GFCCVEGCSA-N 367.357 2.428 0 40 FEAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257294000 QRZWWPBTEDNLMV-ZDUSSCGKSA-N 356.401 2.070 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(O)nc3)CC[C@H]21 257213619 CIJHRLGBJPHXSR-GUDVDZBRSA-N 365.433 2.264 0 40 FEAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NC1COCCOC1 664944480 NGBCYCDKADKXTG-WBMJQRKESA-N 354.834 2.227 0 40 FEAB Cn1nc(-c2ccccc2NC(=O)c2cnn(-c3ccccc3)n2)ccc1=O 96097797 RPJLBIGSSAEZEL-UHFFFAOYSA-N 372.388 2.280 0 40 FEAB CSc1ccc(/C=C/C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 96120343 AOXQKQCTPMOBTQ-VMPITWQZSA-N 368.524 2.210 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)cc1 575404195 MQUUDDOTHLLGKI-MRXNPFEDSA-N 374.462 2.391 0 40 FEAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093446 WYHVNOCSXLTMGR-MRXNPFEDSA-N 353.369 2.093 0 40 FEAB Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1 585272665 PGCSFFLJONVXHS-SFTDATJTSA-N 357.450 2.380 0 40 FEAB Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1=O 56363493 RAYSAJRHZXMECJ-SFHVURJKSA-N 363.417 2.064 0 40 FEAB Cc1cc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)nc(C)n1 77938685 APEMEXXVQQRHND-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)NCc1ccccc1-n1ccnc1 98033576 DVTBZKIDUXACNH-UHFFFAOYSA-N 373.420 2.452 0 40 FEAB CC(=O)c1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2nnc(N)o2)C1 641658392 FGSZLFMIHMKBEC-SECBINFHSA-N 355.320 2.652 0 40 FEAB COc1ccc(OCCOC(=O)c2ccccc2S(C)(=O)=O)cc1 5533823 DRPMYAHWMIDOIF-UHFFFAOYSA-N 350.392 2.335 0 40 FEAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CC3)s2)cc1 12470820 SRKSWMLYONHULN-UHFFFAOYSA-N 364.452 2.170 0 40 FEAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(C(=O)CO)CC[C@@]12O 13400543 NTTRGAIOMZIGLW-VMIVPEROSA-N 364.482 2.006 0 40 FEAB O=c1cc2c(nn1Cc1cccnc1)-c1cnc(N3CCCCC3)nc1CC2 19339735 WZPNXOONSGZRGD-UHFFFAOYSA-N 374.448 2.233 0 40 FEAB COCC(=O)N1CCC(c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 19764235 CCYGZCFZMBISSN-UHFFFAOYSA-N 368.437 2.390 0 40 FEAB COc1cc(C(=O)N2CC[C@H](c3cc(O)nc(C)n3)C2)cc(OC)c1OC 12162801 UXHJGRGJZZQYGY-LBPRGKRZSA-N 373.409 2.146 0 40 FEAB CCc1ncnc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)c1F 1888900971 PRNUPDYOHMXUOE-UHFFFAOYSA-N 357.393 2.140 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1C 31719823 ZEPMZMUXUBEJSL-UHFFFAOYSA-N 373.434 2.156 0 40 FEAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223526 QEYKNAXOIZUEFD-HOTGVXAUSA-N 370.540 2.320 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)CC1 1565556305 BTNORFBPMMOYHQ-WKILWMFISA-N 372.469 2.027 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(CC)nc1)CC2 1565553938 HOOYWYZSUWIQPQ-GOSISDBHSA-N 373.497 2.381 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2cccc(F)c2)cc1OC 9615873 KPCOOQAJEXJGNQ-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)c3ccccc3F)C2)nn1 1889607845 QHHPYXJOCUXGFD-ZDUSSCGKSA-N 351.403 2.014 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)c2nc3ccccc3s2)cn1 575619660 LNXWDANRYKJRKS-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C(N)=O)C1 4280366 KABFDUMCGWBJQW-UHFFFAOYSA-N 357.435 2.312 0 40 FEAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19569623 WGFDXELJAYFBPG-SFHVURJKSA-N 366.465 2.427 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 21139086 BYTKXPCRLQCTBW-UHFFFAOYSA-N 367.327 2.208 0 40 FEAB CC(C)COc1ccc(C(=O)NCc2cccnc2N2CCOCC2)cn1 40141872 FSWGAJAGIBYTHN-UHFFFAOYSA-N 370.453 2.278 0 40 FEAB CCOc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 20375731 UDDUPGXGGMVRSP-UHFFFAOYSA-N 357.410 2.334 0 40 FEAB NS(=O)(=O)N1CCC(C(=O)N[C@H](c2cccs2)C2CCCC2)CC1 32397885 SJPNCNCAHOUECO-HNNXBMFYSA-N 371.528 2.011 0 40 FEAB O=C(COc1ccc(Cl)cc1)Nc1ccc(CN2C(=O)CNC2=O)cc1 32764900 HGRONHHCWSXDOC-UHFFFAOYSA-N 373.796 2.409 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)NCc1ccc2c(c1)OCCO2 32862847 SBJOVDLSFGADFP-UHFFFAOYSA-N 369.421 2.458 0 40 FEAB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)n1C 6280661 IYNBGMYKECXCMG-UHFFFAOYSA-N 368.389 2.054 0 40 FEAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCCC)C2=O)cc1 6879655 VRGKCFUDXFMMFI-PTNGSMBKSA-N 358.419 2.261 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1 8007302 BINMFJLVBWTEBG-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB O=C(CSc1ccccc1F)NCc1ccc(N2CCOCC2)nc1 12173394 NNWBNOCAFJMPRB-UHFFFAOYSA-N 361.442 2.466 0 40 FEAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 41815282 ZROBTBROCKQYDS-HNNXBMFYSA-N 372.450 2.023 0 40 FEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c2cccnc12 53513484 MYTIVHKPLTVSLT-VXGBXAGGSA-N 361.829 2.379 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@@H]21 53760572 GGJOWSXEDODYAJ-ZBFHGGJFSA-N 355.438 2.261 0 40 FEAB COC(=O)c1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(F)cc1F 22889501 RPZUDTGOPQXMNF-UHFFFAOYSA-N 369.345 2.407 0 40 FEAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 9828253 QGMJAQOWZYBZPH-UHFFFAOYSA-N 374.418 2.168 0 40 FEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2ccccc21 9835070 PYDHSCKCHAZBKT-AWEZNQCLSA-N 373.478 2.327 0 40 FEAB Cc1ccccc1-n1c(C)nnc1SCc1nc(N)nc(N(C)C)n1 12475497 KDGJAHLGYKMLJB-UHFFFAOYSA-N 356.459 2.010 0 40 FEAB CO[C@H]1CC[C@H](C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)CC1 100223914 JZIGTJXPUMTSCV-WOVMCDHWSA-N 369.469 2.426 0 40 FEAB O=C(O)CCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 2078811 TZIBNPSGYMRVPR-FRVJLOGJSA-N 370.405 2.416 0 40 FEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 78676865 YCALMVQUAYCZBJ-LLVKDONJSA-N 367.389 2.366 0 40 FEAB CCOc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 58203428 IBXCIZKNGSGCPQ-UHFFFAOYSA-N 350.459 2.431 0 40 FEAB CC(C)(C)CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12733675 SCZYXHZMQSNZRQ-UHFFFAOYSA-N 358.435 2.221 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(F)c1 12796963 ATJGAQOPVDFASM-UHFFFAOYSA-N 367.380 2.145 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1C 45521321 JTOHQJMCFAFYHB-YWZLYKJASA-N 372.421 2.412 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cncn2-c2ccccc2)c1 11360256 YXBSNUGTFJXFQY-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1C 11518384 MNGSPSMTJRTVLQ-UHFFFAOYSA-N 354.435 2.458 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC(F)F 4159232 ISQJHJPNRBXNBX-ZDUSSCGKSA-N 372.393 2.270 0 40 FEAB CC(C)CN1CC[C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)C1 79094160 JUQNBRVNMTWVFZ-SFHVURJKSA-N 357.498 2.450 0 40 FEAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3cccnc3)nc(N)c12 9470693 BOHGDBAVSYOKSY-UHFFFAOYSA-N 356.338 2.042 0 40 FEAB CCOc1ccc(OCCNC(=O)CCn2c(C)csc2=O)cc1 14227244 ACAFYHCKNOYFOS-UHFFFAOYSA-N 350.440 2.202 0 40 FEAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(Cc2ccccc2)C1=O 9009486 GQRGGYPHWJAZEE-NRFANRHFSA-N 363.417 2.252 0 40 FEAB biogenic CSc1ccc([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 20018005 BAMKFIYNOUYCDM-GFCCVEGCSA-N 356.513 2.257 0 40 FEAB CCc1nc(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)co1 96012399 FCCNGKSAPGGHQN-UHFFFAOYSA-N 373.438 2.307 0 40 FEAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CCc3ccccc3C2)cc1 7623343 PHEZFWGSCJWPCU-UHFFFAOYSA-N 351.450 2.450 0 40 FEAB CN(Cc1ccccc1F)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 8026553 YAFBMOAHLMZPPU-UHFFFAOYSA-N 359.332 2.440 0 40 FEAB Cc1ccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 8190421 WFKHIUQSYHQMPD-UHFFFAOYSA-N 365.433 2.168 0 40 FEAB C[C@H](NC(=O)COc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 8344207 KPIYDBXOHOAIIS-LBPRGKRZSA-N 357.362 2.443 0 40 FEAB Nc1cc(N)nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n1 8488085 FTUHOJMLNZETQF-CQSZACIVSA-N 365.459 2.146 0 40 FEAB CC(C)CCc1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1 71828099 JOUOMIQEAJGZED-IBGZPJMESA-N 370.409 2.388 0 40 FEAB Cn1nccc1C(=O)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306131379 KCVNBVWHPJEUJS-INIZCTEOSA-N 373.420 2.155 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(OCCn3cccn3)cc1)CC(=O)O2 95477775 CVPPSIMWANETER-INIZCTEOSA-N 365.389 2.400 0 40 FEAB Cc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 95958146 SRIAQVKSMSQBPA-XIRDDKMYSA-N 357.406 2.257 0 40 FEAB CC(C)Cn1ncc2cc(C(=O)NCC3CCC(C(N)=O)CC3)cnc21 75104394 XKNWAPUVYRFYLW-UHFFFAOYSA-N 357.458 2.109 0 40 FEAB CC(C)n1cc2c(n1)C1(CCN(Cc3ccccn3)CC1)CN(C)C2=O 306128165 GSQLLWBMMSRZLI-UHFFFAOYSA-N 353.470 2.478 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)c1ccncc1 306134420 NMTXFDLPLCORPY-SFHVURJKSA-N 362.437 2.050 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCCC1 408622964 OJWRGSMTNFEYIM-LLVKDONJSA-N 360.863 2.028 0 40 FEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217517584 PDZWRMRDJHGZEG-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB CCN(CC)[C@@H](C(=O)N1CCO[C@H](CO)C1)c1cccc(C(F)(F)F)c1 532869150 VQHULMKHCADTPC-JKSUJKDBSA-N 374.403 2.308 0 40 FEAB CN1C[C@@]2(CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)CC2)OC1=O 72145518 YBXXLRAPHOGORY-IBGZPJMESA-N 370.409 2.229 0 40 FEAB CN(C)c1cc(-n2cnc(C(=O)NCc3ccc(Cl)cc3)c2)ncn1 49411358 IOVCSQSVBXZCOV-UHFFFAOYSA-N 356.817 2.312 0 40 FEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 225726941 AXDVARHKAISQNS-GFCCVEGCSA-N 365.227 2.059 0 40 FEAB CCCn1cc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)ccc1=O 48382660 QMWULNFZYGNYPO-UHFFFAOYSA-N 350.396 2.066 0 40 FEAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)C1 44913810 WMVZBMUFYBZCTK-LJQANCHMSA-N 372.557 2.286 0 40 FEAB Cc1ccc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cn1 96084733 WZDRNUIHFUTNNX-UHFFFAOYSA-N 354.458 2.014 0 40 FEAB CN1Cc2c(C(=O)N3CCCCCC3)ncn2-c2ccccc2S1(=O)=O 96266118 IFWYLWUIOZUYGX-UHFFFAOYSA-N 374.466 2.023 0 40 FEAB O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)c1ccsc1 96208469 QZLNMPAXSBBZEU-MAUKXSAKSA-N 358.467 2.486 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)n1 96048643 AQDXTPNODTVGEZ-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB O=C(NC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1)c1ccsc1 247469505 DXQXAGZLVGMGTB-MRXNPFEDSA-N 367.478 2.402 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccc3C(=O)OC)C2)c1F 253473845 ZDMWBXMSAGFHJM-LBPRGKRZSA-N 373.384 2.258 0 40 FEAB O=C(CCCc1cccs1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268640 OZODYBPRJJOFLG-UHFFFAOYSA-N 367.448 2.347 0 40 FEAB CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccn(CC)n3)C2)on1 257227462 FPKDQNBIMVGSHW-LJQANCHMSA-N 373.457 2.012 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257273151 NFLUIOSOVRPQKP-OAHLLOKOSA-N 359.401 2.247 0 40 FEAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ncccc2C(=O)O)C1 647451359 VTDVUMQJHDPZAG-NSHDSACASA-N 359.348 2.407 0 40 FEAB CC(C)c1ccc(NC(=O)Cn2cnc3c2CCNC32CCOCC2)cn1 1615553241 VORFRBJAVJVQSC-UHFFFAOYSA-N 369.469 2.192 0 40 FEAB O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827239 FWFNCDPSWFBFLS-SECBINFHSA-N 356.151 2.265 0 40 FEAB CC(C)n1nccc1CN1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O 585182026 JMUOBJQIAVBFKJ-AWEZNQCLSA-N 351.476 2.318 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 585100977 PDBKEXDJPBXISJ-HXUWFJFHSA-N 368.412 2.271 0 40 FEAB CN(CC(=O)N1CC[C@](O)(COc2cccc(F)c2)C1)C1CCCC1 585277415 UJMLLFMQNIITKV-LJQANCHMSA-N 350.434 2.042 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)/C=C/c2ccc(F)c(C)c2)C3)o1 685941276 BTJHEHYYXKQCOT-ZIPBJVRUSA-N 357.385 2.265 0 40 FEAB CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3oc(C)cc3n12 12115523 TYLDVCCMQNSTBH-UHFFFAOYSA-N 354.366 2.022 0 40 FEAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16322869 IRDUCGXXGYEURW-UHFFFAOYSA-N 354.472 2.201 0 40 FEAB CN(C)Cc1cc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1C 19710225 OOYAKQXGXYQYLJ-UHFFFAOYSA-N 374.460 2.406 0 40 FEAB CC(C)OCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438099 FSTTYQKHHSDTLW-UHFFFAOYSA-N 368.503 2.255 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@@]12C 253389618 SZSNPNCTSHASFJ-TUCHNYMDSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)ccc21 5805097 SGWHOFUJDVHKEJ-ZDUSSCGKSA-N 352.394 2.313 0 40 FEAB COCc1nsc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)n1 1888843693 TWQJQIKSOIVWES-UHFFFAOYSA-N 356.402 2.047 0 40 FEAB Cc1nc(C(F)F)cc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 1888868564 HYDKUQOUGKDYNL-UHFFFAOYSA-N 374.399 2.104 0 40 FEAB COc1ccnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)n1 1888928974 RAESDQHWMKTJJO-UHFFFAOYSA-N 354.439 2.330 0 40 FEAB O=C(COc1ccccc1F)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888944380 UIAHIJATAXSPDF-QGZVFWFLSA-N 355.369 2.240 0 40 FEAB C[C@]1(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CCS(=O)(=O)C1 30998277 RCENIGQCSYCRFC-INIZCTEOSA-N 368.455 2.185 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3nccn4nc(C5CC5)cc34)C2)nc1 2087147927 MUVIJEVACNGCQG-CYBMUJFWSA-N 352.398 2.063 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1Cl 4941517 WJHBPZFVIZHIQK-ZDUSSCGKSA-N 352.818 2.389 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccccn2)CC1 2055734574 KQSFSUJYMCOCCY-UHFFFAOYSA-N 356.401 2.054 0 40 FEAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 26455906 IACGZNKMBXRIEP-SFHVURJKSA-N 373.453 2.352 0 40 FEAB C[C@@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)S(C)(=O)=O 40134193 CMUXITLUKCWKQG-NSHDSACASA-N 352.387 2.062 0 40 FEAB O=C(NCCOc1cccc(Cl)c1)c1ccc(N2CCOCC2)nc1 40113486 PGMWTOJIOFPDML-UHFFFAOYSA-N 361.829 2.380 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)NC[C@H](C)Cn2cccn2)CC1=O 59923951 DGWGDKXVXULTHL-DOTOQJQBSA-N 354.454 2.251 0 40 FEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 3065520 IVUHZEATUUXCOZ-GOSISDBHSA-N 352.390 2.447 0 40 FEAB biogenic COC(=O)c1cnc(NC(=O)Cc2ccc(OC)c(OC)c2OC)s1 32843459 WXTARVQBMVKTCZ-UHFFFAOYSA-N 366.395 2.137 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 8274053 RNKMSOYMJCXKDM-ZDUSSCGKSA-N 362.389 2.160 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1 6680151 LBGMPLQMVZLGOK-UHFFFAOYSA-N 352.481 2.327 0 40 FEAB CCc1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 6807342 PERQVSGCOZXWKW-OLZOCXBDSA-N 356.426 2.500 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCC2 53389804 ARYMQVOOXVKYFB-CXAGYDPISA-N 350.484 2.024 0 40 FEAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 10063709 UTFAATWNVNQPSE-UHFFFAOYSA-N 374.418 2.168 0 40 FEAB COc1c(Br)cc(Br)cc1CNc1nn[nH]n1 8469533 DXTZRUWOHGMLHF-UHFFFAOYSA-N 363.013 2.345 0 40 FEAB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C(N)=O)=C(C)Nc2ncnn21 8843546 APMWNZNDWHWXDR-LLVKDONJSA-N 354.197 2.368 0 40 FEAB COC(=O)/C=C(/Nc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 12323530 JSLOMZBLMPFYBY-LFIBNONCSA-N 354.362 2.170 0 40 FEAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 9064262 UBSJSOOQUJMUKZ-UHFFFAOYSA-N 360.391 2.299 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(Cl)c2)c1C 61721144 ARKLLOURFISBRJ-UHFFFAOYSA-N 350.802 2.474 0 40 FEAB O=C(COc1ccccc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 9660524 VIGCRJXKJOHKIG-UHFFFAOYSA-N 364.405 2.464 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 23039753 AJHLTGUGDQMUDV-SNPRPXQTSA-N 370.405 2.126 0 40 FEAB COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2cccs2)CC1 23763032 NWAPZPYDQIMZGK-UHFFFAOYSA-N 370.471 2.402 0 40 FEAB COc1cc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc(OC)c1 24598794 JXLXMXZEHXYQBR-KRWDZBQOSA-N 353.382 2.113 0 40 FEAB CCc1nc2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2nc1CC 25164608 OPJSCZBZAMMIMW-UHFFFAOYSA-N 366.465 2.449 0 40 FEAB COc1cc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cccc32)cc(OC)c1OC 1425415 NJBVRJDGHHNJMC-FQEVSTJZSA-N 371.389 2.434 0 40 FEAB CC[C@](C)(CNC(=O)Nc1ccc(N2CCCC2)nc1)N1CCOCC1 48086412 HEYLVBXDZXBQIR-LJQANCHMSA-N 361.490 2.304 0 40 FEAB COCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12605244 KZECAEGHGPEDEK-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1cnnn1 57623985 NVCVFMCBIXUPMB-UHFFFAOYSA-N 373.420 2.184 0 40 FEAB C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1ccc(N2CCOCC2)cc1 3328766 TWAHSXDLRVOMQD-CQSZACIVSA-N 355.394 2.102 0 40 FEAB CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1 21981363 AGQGGZNSVNKGDU-OAHLLOKOSA-N 373.434 2.197 0 40 FEAB world Cc1ccccc1CCNC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O 58185960 PMJDIJDONNMINL-LJQANCHMSA-N 371.462 2.182 0 40 FEAB C[C@@H](NC(=O)c1cccs1)C(=O)NCCc1ccn(-c2ccccc2)n1 58193082 TVOWWNJCWBQYQV-CQSZACIVSA-N 368.462 2.411 0 40 FEAB Cc1ccc([C@H](CNc2cncc(-n3cccn3)n2)N2CCOCC2)o1 58297391 UUIVWXQFBZWSEO-HNNXBMFYSA-N 354.414 2.049 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCN(C(=O)C2CCCCC2)CC1 58268200 MIRUFCPDHXUZME-ZDUSSCGKSA-N 350.488 2.195 0 40 FEAB CCc1noc(C)c1C(=O)NCc1cccc(OCCN2CCOCC2)c1 58202838 GALBGNHURRITJS-UHFFFAOYSA-N 373.453 2.186 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCCN(Cc2ccccc2F)CC1 58331588 DQNFVKMDWZLMIP-DOTOQJQBSA-N 361.461 2.022 0 40 FEAB CCCn1c(=O)n(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 58407589 NLYVWIRJRWRIDY-GOSISDBHSA-N 374.462 2.350 0 40 FEAB COc1ccc2c(CC(=O)NCC3CCC(C(=O)O)CC3)cc(=O)oc2c1 2341140 LBLFHHDKTGQRRO-UHFFFAOYSA-N 373.405 2.351 0 40 FEAB O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 12896803 VJTRPFIXSXKKHY-UHFFFAOYSA-N 351.406 2.337 0 40 FEAB O=C1C[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)c2ccc(F)cc2N1 12936444 QJHDXLYUEWBFHR-GFCCVEGCSA-N 373.365 2.064 0 40 FEAB COC(=O)CC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OC 4065047 YZBAJACRGSFBBD-QGZVFWFLSA-N 369.417 2.430 0 40 FEAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 14076835 FBIXVKTYCARPQY-VLIAUNLRSA-N 373.453 2.157 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(F)c2)NC(=O)N1C1CC1 14170935 VSEQMJHRMXEUFA-KRWDZBQOSA-N 359.401 2.187 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)CNC(=O)c2ccc(F)cc2)c1 14170440 UMQYHOGHBLLEEQ-GFCCVEGCSA-N 360.385 2.450 0 40 FEAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 4505404 FCUCCEHZTPMQMI-OAHLLOKOSA-N 359.513 2.281 0 40 FEAB O=C(CCCCCCCC(=O)NC[C@H]1CCCO1)NC[C@H]1CCCO1 4656740 PVUIBSVZAWEBBD-IAGOWNOFSA-N 354.491 2.308 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccnc1 6660599 PGRMCSQFBDIDIG-KRWDZBQOSA-N 367.380 2.434 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)nc1 92005638 FELGQPIMQFXHDS-ZDUSSCGKSA-N 358.467 2.401 0 40 FEAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1csc(-c2ncccn2)n1 68077290 LEAWMUSIIUUFFX-CYBMUJFWSA-N 362.361 2.342 0 40 FEAB CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 68340876 YGRXVZPTZLRQOU-RTBURBONSA-N 357.498 2.020 0 40 FEAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cc2ccccc2C(=O)O)n1 71285157 PXQOICBIKIZCKL-UHFFFAOYSA-N 365.393 2.467 0 40 FEAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)S2 9238505 PSAHCCLMHRBHCL-CABCVRRESA-N 373.413 2.394 0 40 FEAB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@H]1CCCOC1 96002021 ZHMOYFFDEOMRRQ-GJZGRUSLSA-N 353.488 2.483 0 40 FEAB COC(=O)c1ncsc1S(=O)(=O)Nc1ccc(C)cc1CN(C)C 96013537 GZNFBCJBZBEJLT-UHFFFAOYSA-N 369.468 2.101 0 40 FEAB Cn1nc(Br)c2c(N[C@@H]3CCCCC[C@H]3CO)ncnc21 84310290 HEFVKMLSGYCKMT-VHSXEESVSA-N 354.252 2.479 0 40 FEAB COc1ccc2c(c1)CCCN2C(=O)Cn1cnc(C2CCC2)cc1=O 89702854 PIMOJENYTNZMGY-UHFFFAOYSA-N 353.422 2.499 0 40 FEAB Cc1ccsc1CN1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)OCCNC2=O 306132857 LUMPORMAZUTBBB-KXBFYZLASA-N 374.510 2.319 0 40 FEAB O=C(/C=C/c1cccs1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 306138039 RNIJHRALYODERY-XGACYXMMSA-N 357.435 2.390 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408564434 YFFDFVFFQQHBAT-HNNXBMFYSA-N 368.499 2.463 0 40 FEAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCC1 30757013 RMNFTRMBWKGEFL-HNNXBMFYSA-N 372.874 2.268 0 40 FEAB CN1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 306131450 KEWKPABAWMNNOS-UHFFFAOYSA-N 351.454 2.118 0 40 FEAB CC(=O)O[C@@H]1[C@@H]2C(C)(C)CCC[C@]2(C)[C@H](/C=C/C(=O)O)[C@@](C)(O)[C@@H]1O 72320310 OZESVNMBZAEFCX-ANKCKNSLSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 35310713 RELSJVMYOGVEIY-UHFFFAOYSA-N 352.417 2.183 0 40 FEAB O=S(=O)(NC[C@H]1CCOc2ccccc21)c1cccc2c1OCCO2 329222522 WNFCQRXFJMKXEN-CYBMUJFWSA-N 361.419 2.302 0 40 FEAB COc1cccc(CN2CCN3C(=O)N(Cc4cccnc4)C[C@H]3C2)c1 85436174 NSZVRVITFYCMHQ-GOSISDBHSA-N 352.438 2.212 0 40 FEAB biogenic,in-vitro C[C@](O)(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccs1 75155948 ORNIWHLWZYUSNF-INIZCTEOSA-N 352.843 2.042 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2cccc(Cl)c2)s1 224517504 VZOOMKFEDYDFQQ-UHFFFAOYSA-N 373.843 2.474 0 40 FEAB O=C(c1ccoc1)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 96217482 IVOMBLVXGFPPFG-HNNXBMFYSA-N 354.366 2.488 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 96158825 BOQPBGJEFUTVSW-UHFFFAOYSA-N 355.438 2.111 0 40 FEAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cccs2)CC1 583623049 HBTVURKGWKFAJK-DZGCQCFKSA-N 366.483 2.241 0 40 FEAB CNc1cccc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 257205671 BACAUMYNLHTVIC-GOSISDBHSA-N 351.406 2.499 0 40 FEAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCN(c2ccccn2)CC1 85473105 DFROSMNHAJAYPH-UHFFFAOYSA-N 365.412 2.433 0 40 FEAB CC(C)(C)OC(=O)c1cnc(N2CCC(C(=O)N3CCCC3)CC2)cn1 587079329 CWLUUZPXEXKMIY-UHFFFAOYSA-N 360.458 2.271 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C(F)F)nc1 623004107 GHBXYCCNFGGNIG-CQSZACIVSA-N 352.362 2.419 0 40 FEAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC(OCc2nc(C)no2)C1 644350470 NMVUNJIEBWPQSQ-KRWDZBQOSA-N 372.425 2.375 0 40 FEAB CCN1OC[C@@H](N2CCN(C(=O)c3sc4ccccc4c3C)CC2)C1=O 659945753 CRZOAWUZJXOINP-OAHLLOKOSA-N 373.478 2.130 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 663318950 GKSFFHCRMJCIKJ-XYJFISCASA-N 368.437 2.051 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@H]1C)C2 585106582 BXFGOWLIBMCFLK-WHSLLNHNSA-N 366.465 2.422 0 40 FEAB CS(=O)(=O)c1cc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)cc(C(=O)O)c1 630139938 GFZICWVMWSWOJJ-BRWVUGGUSA-N 371.414 2.313 0 40 FEAB CC(C)c1csc(CCNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)n1 1614476980 LBWYUISOFUQMOO-MRXNPFEDSA-N 370.482 2.396 0 40 FEAB O=C1NCC2(CCC(C(=O)N[C@H]3CCCOC3)CC2)Oc2ccccc21 12086822 XOMYTBUGPNIAIU-CHWWFWEZSA-N 358.438 2.033 0 40 FEAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnccn1 12220321 CZDRCZKSTSGFET-OAHLLOKOSA-N 369.450 2.216 0 40 FEAB COc1ccccc1C1(O)CCN(CCNC(=O)c2oc(C)nc2C)CC1 12326266 BOKPXXMZHSCQEX-UHFFFAOYSA-N 373.453 2.013 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OCC 13960346 JFSDGUHUVNAULE-MVJTYMMSSA-N 359.422 2.189 0 40 FEAB Cc1cccc(N2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)c1 15544308 SLCGBLYAIUXQJJ-UHFFFAOYSA-N 372.494 2.157 0 40 FEAB Cc1cc2c(cc1C)OC1(C=C2)CCN(CC(=O)N2CCOCC2)CC1 19125091 NTALWKSIKHWWIP-UHFFFAOYSA-N 356.466 2.402 0 40 FEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)c1cccn2nnnc12 19717617 FIFMAQWFOBLJPZ-KRWDZBQOSA-N 368.416 2.220 0 40 FEAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl 6386123 PJOZSTFYVSDIIW-BJMVGYQFSA-N 359.165 2.116 0 40 FEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 6059153 MRICABAPAXKYHG-ZETCQYMHSA-N 354.247 2.138 0 40 FEAB in-vitro CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCN(CC(=O)O)CC2)c1 551910149 MWFLZKNIXFUICO-UHFFFAOYSA-N 374.890 2.291 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834351 PNAHVVIXJUMYSQ-BZPMIXESSA-N 355.360 2.174 0 40 FEAB Cc1nc(C2CC2)nc(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 1888897431 AXIIPBJTRNSISM-UHFFFAOYSA-N 364.457 2.044 0 40 FEAB COc1ccc2c(c1)OCCNCCCC[C@@H]1[C@H](OC)CCCN1C2=O 2037985701 SQKXQKLAIXXWPO-QZTJIDSGSA-N 362.470 2.467 0 40 FEAB Cc1nc(CN2CC[C@@H]3CN(C(=O)CC(C)(C)O)C[C@@H]3CC2)cs1 2056223972 JTXQHZHAFDTPOA-GASCZTMLSA-N 351.516 2.283 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1C 4035793 ZUNGRKIXPPKAOZ-UHFFFAOYSA-N 365.437 2.258 0 40 FEAB CCOc1ccc(N2C[C@@H](NS(=O)(=O)c3cccs3)CC2=O)cc1 4497752 OXCSHVXOMWWYCR-LBPRGKRZSA-N 366.464 2.231 0 40 FEAB Cc1cccn2c(=O)nc(SCC(=O)Nc3ccc(F)cc3F)nc12 4504026 KXRZVOBWBYJYAG-UHFFFAOYSA-N 362.361 2.407 0 40 FEAB Cc1cc(C)c(N(C[C@H](O)CNCc2ccco2)S(C)(=O)=O)c(C)c1 16839713 GYIZLAJVJXVEKY-MRXNPFEDSA-N 366.483 2.122 0 40 FEAB Cc1cc(C)c(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c(C)c1 16994107 BBPKOJZBRZGJJI-UHFFFAOYSA-N 365.437 2.334 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C 23106561 XZBAWNBABNKXPY-AWEZNQCLSA-N 361.467 2.423 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)cc1 13576203 XYZKMOKSVBXGHC-OAHLLOKOSA-N 356.403 2.480 0 40 FEAB Cc1sc2nc(S[C@H](C)C(=O)N3CCOCC3)nc(N)c2c1C 40063015 UGJCFWNHPNIZIJ-SNVBAGLBSA-N 352.485 2.230 0 40 FEAB COC(=O)CCN(CC(C)C)CN1C(=O)NC2(CCCCCC2)C1=O 40151390 UKLKPHUBVGGPSX-UHFFFAOYSA-N 353.463 2.110 0 40 FEAB O=C(COC(=O)C1(O)CCCC1)Nc1ccccc1C(=O)NC1CCCC1 51176789 CIEHNNKJALVLHM-UHFFFAOYSA-N 374.437 2.146 0 40 FEAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21 101656993 GMQIOYAFWYDBIU-QGZVFWFLSA-N 369.396 2.054 0 40 FEAB NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 8279897 ZYSAMUKNALNXPL-CQSZACIVSA-N 373.453 2.254 0 40 FEAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 2643853 AIHUJPWNARHZRM-CQSZACIVSA-N 357.410 2.046 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc12 32730361 GOYOKFKEXUWEBE-KRWDZBQOSA-N 355.417 2.449 0 40 FEAB O=C(N[C@H](C(=O)O)[C@H](O)c1ccccc1)c1ccc(Br)cc1 3172744 SAORHZONDSOATJ-UONOGXRCSA-N 364.195 2.366 0 40 FEAB O=C(CSc1nc(-c2ccco2)n[nH]1)NCc1ccc2c(c1)OCO2 32873550 UJIVJZZZGJFAGX-UHFFFAOYSA-N 358.379 2.202 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102427143 OFERVDLTJXCGOU-OKILXGFUSA-N 372.421 2.285 0 40 FEAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc(Br)cc1 6843455 SKASYHWEHWRAPJ-GFCCVEGCSA-N 370.272 2.391 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6946749 HMJNOCMHQHYKFX-AWEZNQCLSA-N 356.488 2.305 0 40 FEAB CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(Cl)cc2O)o1 32934814 YHTHSPLTGKHEQZ-UHFFFAOYSA-N 359.787 2.246 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 100466773 ZJEUUDOBFLQKBE-DIZUZXFTSA-N 373.412 2.226 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 32987885 SUTCDZFCPPUCPY-IBGZPJMESA-N 368.481 2.426 0 40 FEAB COc1cc(NC(=O)Cn2c(=O)oc3ccccc32)cc(OC)c1OC 8325101 RTQLRGKHSQCHDQ-UHFFFAOYSA-N 358.350 2.259 0 40 FEAB COc1ccc(OC)c(CCNC(=O)NCc2ccc3c(c2)OCO3)c1 53750991 BRLMALBPBFBILS-UHFFFAOYSA-N 358.394 2.474 0 40 FEAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccoc2)c1 53794811 GWDRHHAGGPVSHO-ZDUSSCGKSA-N 357.410 2.310 0 40 FEAB COc1cc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc(OC)c1OC 9926870 JCKNLZRHCWEJIB-CYBMUJFWSA-N 372.377 2.441 0 40 FEAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(F)cc2)n2nnnc2N1 950939 XRWJMYYXQUIRQE-HNNXBMFYSA-N 351.345 2.135 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)N1CCOCC1 1012892 LLVATYXZZDFEJK-UKTHLTGXSA-N 366.826 2.235 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(-n2cnnn2)c1 24330952 RCYLKYUOVJWNMZ-CQSZACIVSA-N 374.408 2.076 0 40 FEAB CCOC(=O)[C@@H]1CC(=O)[C@@H](c2ccccc2N2CCN(C(=O)CC)CC2)C1 57327978 BWNSMLKZLGTWGD-DOTOQJQBSA-N 372.465 2.371 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)CC1 100747443 RUQRWTJQLMENBS-UWWQBHOKSA-N 358.486 2.333 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@@H](C(=O)C(F)(F)F)[C@](O)(C(F)(F)F)N1 34577042 RZHJVSSVXQYSRJ-RNSXUZJQSA-N 356.222 2.039 0 40 FEAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)C1 22519173 SRNKUBUQCDHAFL-GOSISDBHSA-N 359.514 2.371 0 40 FEAB COc1ccc(COC[C@H](O)CSc2cccc[n+]2[O-])cc1OC 24827389 VFUBXRDKBZVKIV-AWEZNQCLSA-N 351.424 2.007 0 40 FEAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCN(c2ccccc2)CC1 12538067 NTWYFUJCHMBIPK-CQSZACIVSA-N 365.437 2.005 0 40 FEAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc2c(c1)CCC2 12516512 NWFRPBUQUFZKOI-UHFFFAOYSA-N 354.435 2.235 0 40 FEAB C[C@@]12NC(=S)N[C@H](c3ccccc3O1)[C@H]2C(=O)NCc1ccccc1 100870459 XTZQYSHCZWZFLX-FRQCXROJSA-N 353.447 2.247 0 40 FEAB O=C1N[C@@H](c2cccs2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620741 DHXMJAXEVDILKL-MJVIPROJSA-N 371.340 2.247 0 40 FEAB CNC(=O)c1cc2c(n(-c3ccc(OC)cc3)c1=O)CC(C)(C)CC2=O 1423509 UMARLINSOBYXMZ-UHFFFAOYSA-N 354.406 2.361 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccnc(Cl)c3)CC2)C1 58065967 XEFGJZBYLIYJSZ-HOTGVXAUSA-N 364.921 2.357 0 40 FEAB COCCNC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57478565 CISYJEWXIWQKHF-UHFFFAOYSA-N 369.512 2.359 0 40 FEAB Cc1nc2ncnn2c(O)c1CCC(=O)N[C@H](C)CCc1ccccc1 36569700 VAIIJDRGEDDYBF-CYBMUJFWSA-N 353.426 2.208 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O 2409783 MBZHXXVUAIPSOY-UHFFFAOYSA-N 359.474 2.096 0 40 FEAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCC(C)CC2)c1C 12737618 NNKBLABWNNUCKX-UHFFFAOYSA-N 353.488 2.150 0 40 FEAB COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)OCO4)CC2)c1 59308038 YTSPOBHTDVVGNH-GOSISDBHSA-N 356.422 2.280 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCc3ccccc3C2)c1 38415209 UESKBKPABYUXNC-UHFFFAOYSA-N 367.449 2.150 0 40 FEAB CCc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021449 QTHPUEDVDFEJMB-UHFFFAOYSA-N 353.382 2.099 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1cccs1 14084181 YIMHRCVAAKZDRP-KZULUSFZSA-N 357.435 2.393 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14124985 JGMMYGLOQPKPST-OAHLLOKOSA-N 364.449 2.102 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 4506658 OTDQYTUDUIPQNZ-UHFFFAOYSA-N 356.378 2.335 0 40 FEAB CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1-c1ccco1 6654469 LJFDXVAKKIYDEM-UHFFFAOYSA-N 351.432 2.132 0 40 FEAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3cccs3)C2)c(=O)o1 6719500 UUGNVBGERQZVGQ-LLVKDONJSA-N 370.390 2.125 0 40 FEAB Cc1ccc(C(=O)NCCCNC(=O)COc2ccccc2Cl)cn1 4985665 RTGGBKCFVNPWEY-UHFFFAOYSA-N 361.829 2.359 0 40 FEAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 8803039 OBQDPDGQGCAOQG-UHFFFAOYSA-N 354.362 2.111 0 40 FEAB COc1cc(C(=O)N2CCNC(=O)C2)ccc1OCc1ccc(Cl)cc1 7989738 DGGIHAXXPADNJA-UHFFFAOYSA-N 374.824 2.500 0 40 FEAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9421714 MTXVXHJYFPKBCQ-WMLDXEAASA-N 350.403 2.193 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 9690088 KCTIOQVYKCTURD-LHRNQBEKSA-N 351.424 2.026 0 40 FEAB Cc1nc[nH]c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 72133241 SVEPLPMUQVLVMW-GFCCVEGCSA-N 366.343 2.268 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](C(F)(F)F)SCC(O)=N2 79477313 ARJHBRUAFIVUHP-XVKPBYJWSA-N 369.390 2.489 0 40 FEAB COc1cccc(N2Cc3nn(CCc4ccccc4)c(=O)n3C2=O)c1 1547200972 DWRLFPWOGATQDC-UHFFFAOYSA-N 350.378 2.284 0 40 FEAB O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1cccnc1 67897130 RDHYKUJEDDXRJQ-UXHICEINSA-N 362.433 2.175 0 40 FEAB biogenic,in-vitro CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 408602791 IXUVMPYTQAVJEM-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB Cc1c(S(=O)(=O)NC[C@H](C)Cn2cc(Cl)cn2)cnn1C(F)F 36614733 WPYLETVXFZMQFO-QMMMGPOBSA-N 367.809 2.051 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cccnc1 36701717 OVFQWIJLQXAHAB-JLZZUVOBSA-N 364.409 2.340 0 40 FEAB COc1cc2c(cc1OC)[C@@H](NC(=O)CNC(=O)c1ccccc1)CC2 524733317 HMWFMPXHPXZLCW-INIZCTEOSA-N 354.406 2.237 0 40 FEAB CCn1cnc2c(NCc3ccccc3CN3CCC[C@@H]3CO)ncnc21 541935532 WURLRZLFDCYUAL-QGZVFWFLSA-N 366.469 2.415 0 40 FEAB O=C(c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)n[nH]1)N1CCOCC1 72380533 TXZVCOQNDADVFR-SFHVURJKSA-N 368.437 2.250 0 40 FEAB NC(=O)CN1N=C(c2ccc(F)cc2)Cn2c(cc3ccccc32)C1=O 72334565 CXNWWYJBIRURMQ-UHFFFAOYSA-N 350.353 2.126 0 40 FEAB O=C(c1ccc(Cl)cc1)N(CCCCCO)[C@@H]1CCS(=O)(=O)C1 217373503 NDNKQASVRZYIFZ-OAHLLOKOSA-N 359.875 2.132 0 40 FEAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72379221 ROKVBQFROGYTBZ-KRWDZBQOSA-N 353.470 2.378 0 40 FEAB COc1ccccc1OCc1cn(CC(=O)Nc2ccc(C)cn2)nn1 227167506 VXUSRDBDRFIOCB-UHFFFAOYSA-N 353.382 2.208 0 40 FEAB C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760750 AXBYTIZORXRHFP-QGZVFWFLSA-N 354.450 2.145 0 40 FEAB COc1cccc(/C=C/C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1OC 40115312 VXOKVYUPUYXUCY-VQHVLOKHSA-N 362.407 2.154 0 40 FEAB COc1ccc(C)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccccc1 225165428 LGDRFBLNCDJDFL-MRXNPFEDSA-N 363.435 2.320 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1C 226058063 SMFWFEPGFVBHEM-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB Cc1ccnc(NC(=S)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 225227220 CGOQRRREJMJWAB-UHFFFAOYSA-N 364.496 2.127 0 40 FEAB Cc1cccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 224762052 BYDNYSJQUVTIJK-UHFFFAOYSA-N 368.484 2.310 0 40 FEAB CN(Cc1cccc2[nH]ccc12)C(=O)CN1C(=O)C2(CCCC2)N=C1O 330204954 CAFMWGYRCGJDSM-UHFFFAOYSA-N 354.410 2.195 0 40 FEAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccccc1F)C2 96219605 KPCGULVZUKQGDQ-OXJNMPFZSA-N 355.413 2.238 0 40 FEAB O=C(c1cccnc1)N1CCC2(CCN(C(=O)c3ccccn3)CC2)C1 96046581 UIUAOFOWCRGJAK-UHFFFAOYSA-N 350.422 2.245 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)c1onc(C)c1C(=O)O 96297006 PVSWXUYELYEVTG-LLVKDONJSA-N 355.354 2.061 0 40 FEAB biogenic,in-vitro COc1ccc2c(c1)CCN([C@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 582736845 KFFRDCXANKPWNI-CQSZACIVSA-N 368.433 2.456 0 40 FEAB O=C(NCCO)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037786 PIHXDGRHMCCICB-UHFFFAOYSA-N 363.421 2.139 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 96043484 GEQVMUFCRNOSIV-GUDVDZBRSA-N 355.438 2.218 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2=O)cc1 96245351 MJMVLEGAIJSOHM-LPHOPBHVSA-N 355.438 2.390 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230806 ZGZCDLPPASRPHK-ZFCANOHDSA-N 368.389 2.052 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](n2cc(C3CC3)nn2)C1 244942716 CWEPYNKASMGBDT-OAHLLOKOSA-N 369.450 2.339 0 40 FEAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)CCC(=O)O)[C@@H]1CCC[C@@H](O)[C@@H]2O 257209900 BSIOQBLEYWCZMM-DSVUEQLOSA-N 361.438 2.105 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)Cn3ccnc3)CC2)C1 257308271 TWDDJSYYXVNAHF-GOSISDBHSA-N 354.454 2.170 0 40 FEAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(C)n1 257301110 RXAKCTYOCHCFBT-OAHLLOKOSA-N 350.419 2.492 0 40 FEAB CC(=O)N1[C@H]2CCN(Cc3cccc4cccnc34)C[C@@H]2C[C@]1(C)CO 257231340 GGGLVBRXCIUPEV-IRFCIJBXSA-N 353.466 2.429 0 40 FEAB CCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1 585083043 YBTQXPFLVYINKP-IBGZPJMESA-N 363.477 2.412 0 40 FEAB CCCc1nnsc1C(=O)N1CCN(C=O)C[C@H]1c1ccccc1OC 257321391 WBMHKOXSUAOGDQ-HNNXBMFYSA-N 374.466 2.155 0 40 FEAB CN(C)C(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257320438 VWVDZQZQIRRRJZ-LJQANCHMSA-N 368.433 2.341 0 40 FEAB CN1CCN(C(=O)c2cncnc2)C[C@@H](Cc2cnc3ccccc3c2)C1 257326319 WWTSRXFIGKSADC-KRWDZBQOSA-N 361.449 2.271 0 40 FEAB CO[C@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)[C@H]1CCOC1 666562927 YNFAFTBCHWINGF-SJCJKPOMSA-N 373.384 2.463 0 40 FEAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(C)c(Br)c1 643848613 IBJJORUERPLRTJ-OAHLLOKOSA-N 356.216 2.463 0 40 FEAB COc1cc(N[C@H]2CCCN(C(=O)C(C)(C)C(=O)O)C2)cc(OC)c1 647739203 GTVBWOVZQSSAIF-LBPRGKRZSA-N 350.415 2.218 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc(F)c2)c(S(=O)(=O)N(C)C)c1 53874592 CAIDOTBMKVXBOX-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(COC(=O)[C@H]1CSCN1C(=O)C1CC1)c1ccccc1Cl 97124471 TUANJHXPUMSJRL-CYBMUJFWSA-N 353.827 2.377 0 40 FEAB O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)[C@@H]1CCCN1c1nccs1 560504139 QJMGTRGWJBLQJM-NSHDSACASA-N 357.395 2.356 0 40 FEAB C[C@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19496493 UESQDFYMSNYBDQ-DLBZAZTESA-N 372.513 2.018 0 40 FEAB Cc1cc(N2CC(n3nc(-c4ccncc4)ccc3=O)C2)nc(C2CC2)n1 1775973967 SWKZSKZNIJIZRV-UHFFFAOYSA-N 360.421 2.342 0 40 FEAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cccnc3)CC2)n1 12142935 JVJUEJAAKZQQMB-UHFFFAOYSA-N 367.453 2.036 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 12793209 RXJAQAMIARLROX-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC2CCCC2)CC1=O 12865234 FPCFAKLYILSLLY-KBPBESRZSA-N 374.437 2.039 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@@H](C)C1 13673526 KCYCVPNVWJYOHN-CQSZACIVSA-N 366.483 2.352 0 40 FEAB O=c1cc(CSc2ncccn2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 17072870 KNQXUVSWOQQDSQ-UHFFFAOYSA-N 351.391 2.089 0 40 FEAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(=O)OC)c3ccccc32)cc1 17083436 IUIHDIHOAPXGAZ-NRFANRHFSA-N 367.401 2.229 0 40 FEAB O=C(NCc1ccccc1-n1ccnc1)c1cccc(Cn2cncn2)c1 19349509 JJICYVKBHLPDFJ-UHFFFAOYSA-N 358.405 2.442 0 40 FEAB CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 154067563 CECPDOKMXDRBSD-GFCCVEGCSA-N 369.878 2.070 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(n2ncc3c2CNC3)CC1 580063272 YILWGYRVOKDCEH-UHFFFAOYSA-N 364.453 2.159 0 40 FEAB O=C(c1cn[nH]c1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888891051 HWAAEAUMEJCNSO-UHFFFAOYSA-N 366.425 2.261 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)COc4ccccc4C)C[C@H]3C2)ncn1 1889341330 AMDLGYWLWMACJG-IAGOWNOFSA-N 352.438 2.067 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)/C=C/c2cccnc2)c1 30442096 ZHSRAXZDGZXVPF-CMDGGOBGSA-N 359.451 2.098 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)NC1CCC(C(F)(F)F)CC1 30765193 YKDRQMZIXDEVKR-UHFFFAOYSA-N 360.380 2.009 0 40 FEAB CCN1C[C@@H](C(=O)Nc2cccc(I)c2)CC1=O 32815884 LVGZIEXZJYQHND-VIFPVBQESA-N 358.179 2.098 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565546605 HVUPCSIYFNZCLJ-UHFFFAOYSA-N 371.460 2.378 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccn1 5242204 RVXPGRTUNKDYII-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB COc1ccccc1CNC(=O)CSc1ccc(NC(=O)C2CC2)nn1 13701995 FFXCFBIVIGUHKM-UHFFFAOYSA-N 372.450 2.242 0 40 FEAB CCOCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(F)ccc21 100873545 MWULQWZCQULNBQ-VLGSPTGOSA-N 352.387 2.194 0 40 FEAB CC(C)OCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40071748 JCPKQHMQRXQALC-GJZGRUSLSA-N 356.488 2.055 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCCn2c(C)csc2=O)c1C 18033098 ZOFAUONVYOSPAX-UHFFFAOYSA-N 352.412 2.197 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8026789 AWNIQXDYWHQPTG-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB Cn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cn1 21186360 BDXWZYXOQBVYMM-UHFFFAOYSA-N 362.455 2.237 0 40 FEAB CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(Br)cc1Cl 41096236 DNERKHCJTMVUDO-QMMMGPOBSA-N 356.669 2.460 0 40 FEAB CCc1nn2c(=O)cc(Cn3cnc4cc(Cl)ccc4c3=O)nc2s1 32789152 JZNYVFXDOJQOMA-UHFFFAOYSA-N 373.825 2.125 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1578640 VXUVNSBXLFFECZ-OLZOCXBDSA-N 350.415 2.148 0 40 FEAB O=C(C[C@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 1623975 YNFSQLXDCFRFKJ-AWEZNQCLSA-N 364.810 2.463 0 40 FEAB COc1ccc(CNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1OC 32899689 NVYNNBPLKCNPSS-UHFFFAOYSA-N 368.389 2.437 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 105365600 BHNLYGBJMNKDTM-PEUATVKMSA-N 353.418 2.442 0 40 FEAB biogenic C[C@@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24799678 YPTHTYQDWZLJOE-ZIAGYGMSSA-N 367.405 2.173 0 40 FEAB Cc1ccccc1N(CCCC(=O)NCc1ccccn1)S(C)(=O)=O 113967528 AUHSSNBHZMMTGF-UHFFFAOYSA-N 361.467 2.253 0 40 FEAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc[n+]1[O-] 47298732 ADMZQPZNDJOUDX-UHFFFAOYSA-N 354.406 2.333 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc(Cl)cc1 24830306 XFHMXGRXVYGQDP-OAHLLOKOSA-N 360.797 2.488 0 40 FEAB COc1cc([C@@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc(OC)c1OC 12409463 CMKSIMVJKNDLRP-VIFPVBQESA-N 373.361 2.012 0 40 FEAB COC(=O)c1ccc(F)cc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1 55860319 IWUYPJHZZLSWPQ-UHFFFAOYSA-N 373.384 2.365 0 40 FEAB Cc1ccc(C)c2c(C)c(C(=O)N3CCN(CC(=O)NC4CC4)CC3)oc12 56389262 HMMHILOBIYXOBA-UHFFFAOYSA-N 369.465 2.394 0 40 FEAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCOc1ccccc1 20009928 PSOWBGUVWOZNJD-UHFFFAOYSA-N 363.373 2.338 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491262 PPJPDRZDTHPVLR-UHFFFAOYSA-N 371.462 2.357 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc21 57558179 YJQNKONSOONSKJ-UHFFFAOYSA-N 365.393 2.285 0 40 FEAB CCCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 2093821 DCNSNSABFVHYOL-UHFFFAOYSA-N 363.277 2.131 0 40 FEAB Cc1nnc(NC(=O)CCSCCC(=O)Nc2nnc(C)s2)s1 2098307 ZIOICQBHIPCYRE-UHFFFAOYSA-N 372.501 2.097 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1F 58131276 LBSZOZFHDXSLIC-ZDUSSCGKSA-N 354.790 2.084 0 40 FEAB C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cc2ccccc2o1 36394056 IDSXPLNTZBBDBQ-NSHDSACASA-N 350.382 2.413 0 40 FEAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1CN1C(=O)CNC1=O 10963881 YZQVCUZZLXIAKQ-UHFFFAOYSA-N 363.417 2.200 0 40 FEAB COC(=O)CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C 3358207 FYYVKBJGCYJVKE-UHFFFAOYSA-N 358.394 2.029 0 40 FEAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CCn2cncn2)C1 48373991 XZWNBKXQKRZEMN-IRXDYDNUSA-N 355.486 2.463 0 40 FEAB O=C([C@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1)N1CCOCC1 16964648 JNEUTQRIQKWLAJ-GOSISDBHSA-N 370.380 2.092 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 12914610 FVOAMWBNIOACLS-HNNXBMFYSA-N 358.423 2.264 0 40 FEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 3600422 SVDZQHQZCPZKHF-LJQANCHMSA-N 371.824 2.423 0 40 FEAB Cn1cc(CNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)cn1 17072705 XOTJFIAPNPHXLE-UHFFFAOYSA-N 350.426 2.387 0 40 FEAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8429415 RMKLFNPITJYTML-MRXNPFEDSA-N 361.419 2.344 0 40 FEAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CCS(=O)(=O)C1 13690071 FOBAKGRTMNDSIJ-LBPRGKRZSA-N 370.883 2.309 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nnc2ccccc2c1=O 5241454 JVADLTMHBCGLRJ-INIZCTEOSA-N 366.377 2.168 0 40 FEAB CCC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 8519902 QVLXMQCAXHQHAX-MRXNPFEDSA-N 372.446 2.489 0 40 FEAB CC(C)(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634686 DBNZLIKWQUMDPL-UHFFFAOYSA-N 371.528 2.263 0 40 FEAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccc(C)n1 306124643 BVSCTEUOYJMYNG-MRXNPFEDSA-N 368.499 2.127 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 8628433 LJMNDEDCMDOEOD-UHFFFAOYSA-N 353.426 2.157 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 4940655 ITOBVWOMHFMLDP-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@H]4CCCO4)cc3)C(=O)[C@@H]21 408670672 IYYAXVMNCOYEMB-NKGKWGDASA-N 368.433 2.297 0 40 FEAB COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 67197515 INHXNIAFXZHASM-GFCCVEGCSA-N 357.362 2.458 0 40 FEAB Cc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)s1 306123940 BBBJPEKLBZDCOR-KBPBESRZSA-N 359.499 2.091 0 40 FEAB NC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCCC2 7194501 HPGVADRRGPBENR-UHFFFAOYSA-N 354.482 2.308 0 40 FEAB Cc1ccc(NC(=O)CNc2cccc(F)c2)cc1S(=O)(=O)N(C)C 9254981 SAEWWWYZFZXWJF-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 9550322 ZJQSAPMBSBOGDX-INIZCTEOSA-N 365.389 2.188 0 40 FEAB CC[C@H]1c2ccsc2CCN1CC(=O)N1CCN(c2ncccn2)CC1 9500660 OWQONPAQBMFAAR-INIZCTEOSA-N 371.510 2.196 0 40 FEAB CC(=O)N1CSC[C@@H]1C(=O)N1CCCN(C)c2ccc(Cl)cc21 97212624 DJEWNTAGBUCVRM-OAHLLOKOSA-N 353.875 2.434 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc12 79069958 ZUMFKYBMIKRXBA-LBPRGKRZSA-N 356.348 2.460 0 40 FEAB Cc1cc(N(C)C)ccc1NC(=O)N1CCN(C(=O)c2ccncc2)CC1 89589162 RHKMJKAOUBUIOQ-UHFFFAOYSA-N 367.453 2.446 0 40 FEAB COc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1 89662365 DFYKPNMDKPFWRY-CABCVRRESA-N 350.415 2.059 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1C 408594912 PWOVUYIWSOPZTI-UHFFFAOYSA-N 361.423 2.114 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3cn(Cc4ccccc4)nn3)ccc21 69413749 GAXFSAKHZUYXOR-UHFFFAOYSA-N 361.405 2.488 0 40 FEAB CCn1ccnc1CN(C(=O)c1ccc(CN)cc1)[C@H]1CC12CCNCC2 502682416 VTXWMJFCWCGFAI-SFHVURJKSA-N 367.497 2.146 0 40 FEAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1C(=O)CSc2ccccc21 519313715 QGDBQFGEZHXCKO-CQSZACIVSA-N 362.451 2.070 0 40 FEAB C[C@]1(c2ccccn2)NC(=O)N(Cc2cccnc2C(F)(F)F)C1=O 530106255 WZGSVTOZOSVRCJ-OAHLLOKOSA-N 350.300 2.463 0 40 FEAB O=S(=O)(C1CC1)N1CCN(Cc2ccc(Br)cc2)CC1 123303878 MMQSAWYMSHCSSQ-UHFFFAOYSA-N 359.289 2.059 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(CC)CC)cc1C 39986208 AOJOKGPKTBGZNX-UHFFFAOYSA-N 356.488 2.273 0 40 FEAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)s1 31812476 JUABJGVVGKYBAH-LLVKDONJSA-N 350.831 2.487 0 40 FEAB O=C(NCc1ccccn1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31809389 XNTQPIGQVZGPPE-UHFFFAOYSA-N 360.377 2.306 0 40 FEAB O=C(NCc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCNCC1(F)F 566101480 SXSHUTNDUNAULO-AWEZNQCLSA-N 373.831 2.038 0 40 FEAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ncc[nH]4)C3)nc2c1 35446890 WUYWXBJOFGPFLJ-LBPRGKRZSA-N 360.439 2.334 0 40 FEAB biogenic,in-vitro O=C(CN1CCCN(C(=O)c2cccc3cnccc23)CC1)N1CCCC1 73093970 DKZHFHPEZAIRRZ-UHFFFAOYSA-N 366.465 2.005 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71980126 RJLKSZAXENBKMA-CQSZACIVSA-N 352.818 2.078 0 40 FEAB CC(=O)c1cccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1 78325947 CSGXQTYLKWTEMX-UHFFFAOYSA-N 364.398 2.433 0 40 FEAB CCCOc1ccc([C@@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1OC 48501216 KREUVDNLZNNFNP-CYBMUJFWSA-N 362.426 2.200 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N2 40386719 YTGHZGQFXVVDPC-SECBINFHSA-N 369.303 2.082 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)N3CCOCC3)c12 40025468 SWRRQIDTBLOHLU-UHFFFAOYSA-N 358.442 2.249 0 40 FEAB CN(c1ccc(C(=O)NCCOCc2ccccc2)cc1)S(C)(=O)=O 223861245 NIPLGEPXLBIBBW-UHFFFAOYSA-N 362.451 2.029 0 40 FEAB Cc1nc(-c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)o2)cs1 49029243 TXLCCDQWPLBWMS-UHFFFAOYSA-N 357.351 2.048 0 40 FEAB O=C(NC[C@@H]1COCCO1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 570350667 SERLACOKHISDHH-LJQANCHMSA-N 373.497 2.100 0 40 FEAB COC1(CNS(=O)(=O)c2ccc(F)c(F)c2)Cc2ccccc2C1 225721274 NIKVWEXSFQHKPA-UHFFFAOYSA-N 353.390 2.427 0 40 FEAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(Cc1ccc3c(c1)OCO3)CC2 247980964 HCSSQILLPJYTMA-ZDUSSCGKSA-N 356.426 2.327 0 40 FEAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)cn1 257260424 LCTRLSDAPZXJLH-CQSZACIVSA-N 353.382 2.206 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 257206629 BEHADCGEFOCEQB-HNNXBMFYSA-N 359.455 2.109 0 40 FEAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2ccc(F)cc2)C1 257209125 BPDISRMMOYPNLJ-AWEZNQCLSA-N 351.447 2.407 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC[C@H](C)C1 260746026 QJQVGNFFBOQRFO-WMLDXEAASA-N 368.499 2.498 0 40 FEAB CO[C@@]1(C)CCCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 684273666 NHXWLHAKVIDCMM-NQIIRXRSSA-N 373.497 2.431 0 40 FEAB CC1(NC(=O)c2ccc(OC(F)F)nc2)CN(C(=O)OC(C)(C)C)C1 1305718768 NZXBMMSRNSSDSN-UHFFFAOYSA-N 357.357 2.422 0 40 FEAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ncnn2C)CC1 596424249 DVKMDHXUEGEIIL-QGZVFWFLSA-N 370.453 2.404 0 40 FEAB Cc1cc(F)c2nc(O)cc(C(=O)N[C@@H]3Cc4cnccc4NC3=O)c2c1 1637089055 VYKWHDDHZOBBBF-OAHLLOKOSA-N 366.352 2.076 0 40 FEAB CS(=O)(=O)Cc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2CO1 626337113 AJEMIQYBONPKFO-KRWDZBQOSA-N 374.462 2.494 0 40 FEAB CCn1cc(C(=O)N[C@@H](C(=O)O)c2ccc(OC)c(Cl)c2)c(C)n1 630192153 VSWVZFGLOYFZRD-CQSZACIVSA-N 351.790 2.429 0 40 FEAB Cc1csc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 585094381 UOABSDXCSZVMDX-AWEZNQCLSA-N 358.529 2.320 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2c(-c3ccccc3)noc2=O)cc1F 60107097 QAZWLMSLKWDIHB-UHFFFAOYSA-N 371.368 2.310 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1F 5443810 YLXZRMXROLNHEN-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cccc4cccnc34)C[C@H]21 12120052 SXFQFACLAWOEFJ-PBHICJAKSA-N 360.417 2.429 0 40 FEAB COc1ccc([C@@H]2CCN(C(=O)CCn3nc(C)cc3C)C[C@H]2O)cc1 12156983 UHOIXZRHQBGOFV-RBUKOAKNSA-N 357.454 2.276 0 40 FEAB COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cn1 14900218 XMCPMCPMPKDEAE-UHFFFAOYSA-N 351.410 2.488 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1Cl 16692495 BMEVOPVNLPBLJH-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 16738373 KAFFBAHMTDEXHP-UHFFFAOYSA-N 368.462 2.378 0 40 FEAB Cc1c(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)cnn1C(F)F 19553124 WLMSYYQLUGDTMI-UHFFFAOYSA-N 368.369 2.183 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)NCC1CCN(C2CCOCC2)CC1 225564246 IEVRJEOTLFDQNN-UHFFFAOYSA-N 370.490 2.136 0 40 FEAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCS(=O)(=O)C1 522261569 NARPDKUMRGCOIZ-CYBMUJFWSA-N 368.842 2.231 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1166013388 RGYOPNYCUVUMNM-HZPDHXFCSA-N 370.478 2.111 0 40 FEAB Cc1nc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c2cnn(C)c2n1 1776009275 CAPNJMASBBFXKF-UHFFFAOYSA-N 364.331 2.353 0 40 FEAB Cc1nccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)n1 2037980795 IXXUHFRBYDXDNR-UHFFFAOYSA-N 351.454 2.252 0 40 FEAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 2710750 AGISBIKRVJKILL-RKDXNWHRSA-N 371.256 2.267 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299407 XIFSSCONTJASPG-UHFFFAOYSA-N 362.436 2.194 0 40 FEAB O=C(COc1ccccc1F)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679779 NUPVLPJVMJHFFN-QWHCGFSZSA-N 366.414 2.327 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575613570 TWMDSMAOKDXHIA-FQEVSTJZSA-N 357.454 2.081 0 40 FEAB Cc1nc(N2CC[C@@H](COc3ccc4nccn4n3)C2)c2ccncc2n1 2298106486 UKCSRMFMEWAMMM-CQSZACIVSA-N 361.409 2.281 0 40 FEAB O=C(Cn1nnc(-c2ccco2)n1)N1CCC(Cc2ccccc2)CC1 40060533 TZOJFCBKBZFXGR-UHFFFAOYSA-N 351.410 2.414 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 40071137 LDJRIGCSXOJQCU-NSHDSACASA-N 374.915 2.450 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(-c2ccccc2)n2c1CCCCC2 40086572 BEKREODLXVRVOZ-OAHLLOKOSA-N 373.478 2.193 0 40 FEAB COCCOc1ccc(CNC(=O)c2cc(C)nc3cc(C)nn23)cc1 40154372 UJRWBYSAQPWLQU-UHFFFAOYSA-N 354.410 2.301 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)CCC2 40161616 SBUSVGCBNFFRFP-UHFFFAOYSA-N 355.438 2.160 0 40 FEAB COc1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1OC 30858291 UCYCWSVWXJFAQI-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc(F)c1 29813695 HIEDPKMARPWHHM-MRXNPFEDSA-N 352.369 2.178 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 807316 SLIYVXMFXRZQIG-CQSZACIVSA-N 354.472 2.155 0 40 FEAB COc1cc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)cc(OC)c1OC 32764967 UVLXBXRDXCFGRX-UHFFFAOYSA-N 358.394 2.084 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(C)n2N)ccc1Br 3486475 CMTIISNQUKOCMG-UHFFFAOYSA-N 356.249 2.102 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1c1nc2ccccc2s1 32899998 CSFJOAGKOLDXNT-ZDUSSCGKSA-N 353.469 2.010 0 40 FEAB COC(=O)c1cccc(NCC(=O)N2CCN(c3ccccc3)CC2)c1 52896180 FHOFQLFCPQZSEK-UHFFFAOYSA-N 353.422 2.234 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103411188 IUKVJLOXIBTVNQ-HILJTLORSA-N 369.465 2.090 0 40 FEAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(CN2CCOCC2)cc1 12599732 ARCUDNXCOJSEGH-UHFFFAOYSA-N 359.470 2.154 0 40 FEAB CN(Cc1ccc(F)cc1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 23990098 ZOKGFOUOFCKKRJ-UHFFFAOYSA-N 356.353 2.216 0 40 FEAB COCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889067 DXDDRZKLNIAQDN-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2S(=O)(=O)N2CCCC2)cc1 100113404 OJRGDWGEMBDFRA-IIDMSEBBSA-N 366.483 2.268 0 40 FEAB O=C(CN1CSCC1=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 25033776 OITYXMYRZWHGHX-LJQANCHMSA-N 366.446 2.301 0 40 FEAB COc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2Cl)cc1 1402910 OXYCSTDBNQDOIG-UHFFFAOYSA-N 364.814 2.395 0 40 FEAB COC(=O)c1sccc1NC(=O)CN1CCC(N2CCCCC2)CC1 52003185 POWZNLIIHMNNFY-UHFFFAOYSA-N 365.499 2.424 0 40 FEAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489644 KNTRLDJAFXDFFP-ZDUSSCGKSA-N 371.462 2.437 0 40 FEAB COc1cccc(NC(=O)NCc2cccnc2N2CCN(C)CC2)c1 58186050 GIJNXBIHTUXDAO-UHFFFAOYSA-N 355.442 2.164 0 40 FEAB Cc1nnc(NC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)s1 58198306 CXXJSCURISGULD-LBPRGKRZSA-N 361.471 2.389 0 40 FEAB CCOC(=O)CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CC1 48343483 MDNIRLGCGSCRON-KRWDZBQOSA-N 372.465 2.022 0 40 FEAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cn1nnc2ccccc21 28229425 HHWWHFNHGKSEKB-UHFFFAOYSA-N 366.347 2.162 0 40 FEAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCCC1 3558179 YFSPECYFPAKONB-UHFFFAOYSA-N 353.418 2.478 0 40 FEAB CC(=O)NCCc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 11496424 PURDMZLYVZMJFZ-UHFFFAOYSA-N 373.434 2.315 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(F)c2)c1 12928172 XSVKFJMZRCJXIB-UHFFFAOYSA-N 367.354 2.200 0 40 FEAB COc1ccccc1CN(C)C(=O)NCc1ccnc(N2CCOCC2)c1 12976938 XNSUHFKPYVBHEJ-UHFFFAOYSA-N 370.453 2.268 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)c1 24258811 RJDVKMMBHVOZSU-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 4029009 QPENAIQCDDHXTR-VOJFVSQTSA-N 373.405 2.276 0 40 FEAB biogenic O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccnc2)CC1 13734609 CZDSPYIBYRHETH-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1 13739007 BAWVQPWMIFJMPZ-UHFFFAOYSA-N 355.442 2.390 0 40 FEAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NC(C)(C)C)cnc23)c1 67235653 DIVKVMUGRMBFQR-UHFFFAOYSA-N 368.437 2.325 0 40 FEAB Cc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]n2)cc1 14208204 GTWOMFXHKGFQSH-UHFFFAOYSA-N 356.407 2.285 0 40 FEAB Cc1ccc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)c(C)s2)cc1C 6607349 WGYXQLRRXRICFS-UHFFFAOYSA-N 371.466 2.459 0 40 FEAB CCOc1ccc(CN(C)C[C@H](O)COC[C@@H]2CCCO2)cc1OC 6939295 BKQWMVSPNUAXKC-IRXDYDNUSA-N 353.459 2.082 0 40 FEAB COC(=O)c1cc(NC(=O)c2cn3ccc(C)cc3n2)cc(C(=O)OC)c1 15658455 IKGJLJTXGPZRTO-UHFFFAOYSA-N 367.361 2.468 0 40 FEAB COc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc2c1OCCO2 7364431 JNYDWCWNNQWNSG-UHFFFAOYSA-N 354.406 2.429 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1nccs1 9127121 CRFQOZJUFUPNOV-UHFFFAOYSA-N 360.468 2.480 0 40 FEAB O=C(COc1ccccc1)OCC(=O)N1CCN(c2ccccc2F)CC1 7895924 LIBNFPUTWMAYNV-UHFFFAOYSA-N 372.396 2.097 0 40 FEAB CC(C)[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(N)=O 7860761 LNLHQGMOLGKXCK-ZDUSSCGKSA-N 360.439 2.043 0 40 FEAB CC(C)NC(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000088 LKIICTRCFOMXGI-HNNXBMFYSA-N 361.490 2.242 0 40 FEAB CCc1nn(C)c(OC)c1CNC(=O)N1CCN(CCC(C)(C)C)CC1 91169869 MQSMWKNUJDRURQ-UHFFFAOYSA-N 365.522 2.255 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(N(C)C)n1)C2=O 96006490 AXQFWUFJYKVHNO-UHFFFAOYSA-N 366.421 2.471 0 40 FEAB CC(C)[C@H](Nc1cnc2cc(F)c(F)cc2n1)C(=O)N1CCOCC1 84370724 SQIQRZSDXXZMTN-INIZCTEOSA-N 350.369 2.203 0 40 FEAB Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)o1 78869987 QGPZESVMISWJGT-ZDUSSCGKSA-N 362.451 2.108 0 40 FEAB Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 75107481 QXCISCZDXKRWHP-MRXNPFEDSA-N 369.469 2.265 0 40 FEAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2ncccc2OC)CC1=O 89616903 HRKUWBWGYZQEDU-CQSZACIVSA-N 369.421 2.423 0 40 FEAB CO[C@@H](C)c1nc(CS(=O)(=O)c2nnc3n2CCCCC3)cs1 176941969 RTDVFLPNHPPFIP-JTQLQIEISA-N 356.473 2.142 0 40 FEAB COC(=O)[C@H]1CN(C(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2O1 69614894 OVASGHPSTPPQLD-GOSISDBHSA-N 371.389 2.214 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306135548 OUOUWZYCCPZNEV-HUUCEWRRSA-N 369.444 2.004 0 40 FEAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306136762 QCQUZRFUENXIRT-VQIMIIECSA-N 369.446 2.435 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(C4CCCCC4)nn23)C1 1501040167 BTHLPPAHKBVLBD-GFCCVEGCSA-N 369.516 2.373 0 40 FEAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCOCC3)c(Cl)cc12 32738668 WFMOPOOMPLWNPQ-NSHDSACASA-N 351.786 2.381 0 40 FEAB COCCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OC)C1=O 409247967 JBBMDERBLSHJIR-GXDHUFHOSA-N 365.407 2.311 0 40 FEAB COc1cccc2c1ccn2CCNC(=O)c1ccc(-n2cnnn2)cc1 79482817 AQBIYWYRUXBKDN-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB C[C@H](NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 70895786 JIEOVQHCIGCBNL-INIZCTEOSA-N 366.465 2.292 0 40 FEAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H](c1ccccc1)n1cnnn1 80338219 WKXPOMDIMWWNLS-OAHLLOKOSA-N 363.406 2.420 0 40 FEAB O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cnccn1 48272137 QJRHXGBLPDOUAE-UHFFFAOYSA-N 363.215 2.328 0 40 FEAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 224667386 IALMINKBUFLJBC-UHFFFAOYSA-N 363.391 2.174 0 40 FEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCc1nc2ccccc2[nH]1 96117970 MCVXBYGTUMDKFQ-UHFFFAOYSA-N 373.416 2.146 0 40 FEAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(C)=O)CC3)c1 96146945 FKJCUPQYJTZIPW-UHFFFAOYSA-N 359.451 2.029 0 40 FEAB Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCc1ccncc1 96147570 CTTMYCMZRKDGLP-UHFFFAOYSA-N 362.437 2.407 0 40 FEAB CCN(C)c1ccnc([C@@H]2COCCN2C(=O)c2cc(C)nc(C)c2)n1 96216288 SGYNNUQEDASKCK-INIZCTEOSA-N 355.442 2.158 0 40 FEAB COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)c1 96113408 UYWBUGLCUYOKCK-SJLPKXTDSA-N 373.497 2.081 0 40 FEAB biogenic,in-vitro Cc1cnc(C(=O)N2CCC3(CC2)C[C@H](Oc2cccnc2)CO3)cn1 96106718 SQKQIRDVUSCRNO-INIZCTEOSA-N 354.410 2.023 0 40 FEAB CN1C(=O)CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C 583619191 QWKABPMXDTYYKA-FZKQIMNGSA-N 352.394 2.258 0 40 FEAB O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccccc2F)Cc2cncn21 247509904 SQANZNXPONHCGQ-LJQANCHMSA-N 372.444 2.122 0 40 FEAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)C(C)(C)O)CC2)n1 257284044 PBAMXUWZNZTUFY-UHFFFAOYSA-N 355.442 2.401 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257286430 PLOLGODHRKLCGL-SFHVURJKSA-N 357.458 2.033 0 40 FEAB NC[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516196 QMKUWWLTFYZCKQ-ZACQAIPSSA-N 369.845 2.356 0 40 FEAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 257307724 SZYZMHCTNUZTNW-QGZVFWFLSA-N 356.401 2.158 0 40 FEAB Cc1ccccc1CS(=O)(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 621307340 SHDKLUUOSAOJAS-KRWDZBQOSA-N 365.476 2.084 0 40 FEAB Cc1onc(N)c1S(=O)(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 657169610 OBONMGIBMUUFGI-CYBMUJFWSA-N 369.418 2.245 0 40 FEAB CCn1ncc2cc(C(=O)N[C@@](C)(C(=O)O)c3ccccc3)c(C)nc21 663141106 JHQSWUCAXNIFES-LJQANCHMSA-N 352.394 2.489 0 40 FEAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2cc(NC3CC3)ncn2)CC1 665699296 KECFZJVUIKWOIG-GFCCVEGCSA-N 355.446 2.195 0 40 FEAB CCn1cnnc1[C@@H]1CN(S(=O)(=O)c2c(C)cccc2Cl)CCO1 668188505 LDPFODXHIBUIJY-ZDUSSCGKSA-N 370.862 2.022 0 40 FEAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)/C=C/c3ccccc3)ccc21 96362615 MSXWTAXAUKQDLA-RDELFYGPSA-N 358.463 2.303 0 40 FEAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc(OC2CCCC2)nc1 575414584 XQLQOLFRUQZACD-UHFFFAOYSA-N 364.409 2.309 0 40 FEAB CO[C@@]1(C)C[C@H](N(C)C(=O)CCc2c(C)nc3ncnn3c2C)C1(C)C 75293388 ZWWUZGZXOBJSGJ-KXBFYZLASA-N 359.474 2.336 0 40 FEAB CC(=O)c1cccc(NC(=O)NCCNc2nnnn2-c2ccccc2)c1 83862088 ZCCVJRJWKKEGTN-UHFFFAOYSA-N 365.397 2.099 0 40 FEAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CC[C@H]2C=CC=C[C@@H]21 4263000 UPKRWRCVVLFEKN-MMCPSDEHSA-N 361.419 2.298 0 40 FEAB Cn1nccc1CNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772596026 ZPNMLVOFNNSBTH-HBFSDRIKSA-N 366.465 2.128 0 40 FEAB COc1ccc([C@@H](NC(=O)[C@@]2(C)CCCO2)c2nccn2C)cc1OC 12147206 WZNNEEYECHUGEG-VQIMIIECSA-N 359.426 2.212 0 40 FEAB O=C(NCc1ccccc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13693097 AQMHVORCKREPFD-HNNXBMFYSA-N 373.478 2.052 0 40 FEAB CN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)s1 14461728 PQNVSYXOVORBMR-UHFFFAOYSA-N 351.862 2.117 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16638852 YHNWDUVMYYJGJR-UHFFFAOYSA-N 354.472 2.203 0 40 FEAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@]1(C)C(=O)N1CCOCC1)n2C 19746530 QBQOBSSSSJXZFZ-NRFANRHFSA-N 369.465 2.340 0 40 FEAB CC(C)c1ccc(OCCNC(=O)[C@H]2CN(c3ncccn3)CCO2)cc1 19747257 ZNHCSIDJBXMTRL-GOSISDBHSA-N 370.453 2.000 0 40 FEAB Cn1cc(C(=O)N2CC[C@@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)cn1 607854699 WCLFZUHJSGJTDO-CYBMUJFWSA-N 369.400 2.491 0 40 FEAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)cc1Br 682610627 NXXIWZOHCVSMLR-RBDZCENOSA-N 373.197 2.453 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)n1)CCC2 1888866953 HIEXILUMWFXWEX-OKILXGFUSA-N 367.428 2.016 0 40 FEAB Cc1cc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)no1 1888870128 AWVJZTKQWOIZBV-UHFFFAOYSA-N 374.466 2.028 0 40 FEAB COc1ccc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)s2)cc1 36705245 LQHLSGDUDNXYOJ-GFCCVEGCSA-N 353.469 2.353 0 40 FEAB FC(F)(F)C(F)(F)c1nnc2c3ccccc3c(N3CCNCC3)nn12 719247 IQAANPKCWBCMTP-UHFFFAOYSA-N 372.301 2.341 0 40 FEAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1Cl 4941334 WSTYNMSDQQCCPS-LBPRGKRZSA-N 352.818 2.471 0 40 FEAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)C(C)(C)C)c2=O)c1 12072218 BOSGXBJZNZZHMS-UHFFFAOYSA-N 367.453 2.112 0 40 FEAB O=C(NCc1cccs1)NCc1nnnn1-c1ccc(F)c(F)c1 12180709 WBTUFNDLSBITDD-UHFFFAOYSA-N 350.354 2.001 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C2CC=CC2)C1 2055751138 LFDQWAUTIGTPDD-OAQYLSRUSA-N 371.481 2.189 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1F 40087856 IJYOITLFAAEQHI-OJILRPSTSA-N 350.434 2.461 0 40 FEAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 40159504 IYUSQMMZTUVDPL-SNVBAGLBSA-N 353.469 2.217 0 40 FEAB O=C(Nc1nncs1)c1cccc(S(=O)(=O)NC2CCCC2)c1 30611596 AANODTMQGLFWKW-UHFFFAOYSA-N 352.441 2.011 0 40 FEAB CCOc1ncccc1C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 30898570 YTRDYNHPTDNNTL-UHFFFAOYSA-N 369.421 2.087 0 40 FEAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1C 2639382 PMBMRIFATUJXBB-FQEVSTJZSA-N 351.406 2.218 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 1222277 YAYOFGRLJHMFJA-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB CC(C)OC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 32787867 FUPNDVFAUGZKLM-OAHLLOKOSA-N 361.442 2.388 0 40 FEAB CNC(=S)N(CCCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4162008 MWCLVDAMHGJJDG-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)c1ccccc1 4321021 ZEDRFKZDHHSZGL-PBHICJAKSA-N 369.421 2.034 0 40 FEAB O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1CCS(=O)(=O)O 6861976 HBBAZPWIFGGFHZ-JXMROGBWSA-N 363.869 2.429 0 40 FEAB COc1ccccc1OCCNC(=O)CCNC(=O)c1ccccc1OC 32999721 RNFVWNJFBXKCCY-UHFFFAOYSA-N 372.421 2.019 0 40 FEAB Cc1cc(C(=O)N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccccc1 10113016 ZBSXNWGNWRCJIT-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 47032687 YPWWYTDQTDPKBA-QGZVFWFLSA-N 352.431 2.416 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc2c(s1)CCCC2 61718032 YEZUYOCFNKFKSR-UHFFFAOYSA-N 358.467 2.486 0 40 FEAB Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccccc12 42108183 NWUJGCFTFAIJAW-GASCZTMLSA-N 363.483 2.394 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2ccncc2)CC1 23761700 ADGPXBXMUVACHM-UHFFFAOYSA-N 371.506 2.467 0 40 FEAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1 12532568 GAGQWIISZUDQNV-UHFFFAOYSA-N 368.436 2.084 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(SCc2cscn2)cc1 12552433 FURCAUILWNEGAJ-GFCCVEGCSA-N 368.505 2.352 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)cc1 107738807 IMJWWMLLRMXRHX-PZJWPPBQSA-N 360.498 2.399 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)o1 25169045 QFIGPKUFBXDHFC-UHFFFAOYSA-N 372.406 2.205 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Cn2cccn2)cc1 12625811 USKMAWDYRRMNSC-UHFFFAOYSA-N 362.389 2.156 0 40 FEAB CN1CC[C@H](NC(=O)CCNC(=O)c2ccsc2)[C@H]1c1ccccc1 107540624 QJWOLSJWGCHULC-FUHWJXTLSA-N 357.479 2.430 0 40 FEAB CCNC(=O)c1ccccc1NC(=O)CCNC(=O)OCC(F)(F)F 57209257 RHHUWZKPBBACAN-UHFFFAOYSA-N 361.320 2.053 0 40 FEAB COCCCNC(=O)Nc1ccc(C)c(NC(=O)NCCCOC)c1 10036639 JSZHQWMQNILBEP-UHFFFAOYSA-N 352.435 2.311 0 40 FEAB Cc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)n(C)n1 58203324 JRDRTGOMGNKXCT-HOTGVXAUSA-N 356.470 2.268 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)CCOCc2ccccc2)CC1 58209705 YUENROXGYMMTOD-UHFFFAOYSA-N 356.422 2.479 0 40 FEAB COc1cc2oc(=O)c(CC(=O)NCCCC(=O)O)c(C)c2cc1Cl 2117351 FAWKUWLVMIQHNZ-UHFFFAOYSA-N 367.785 2.287 0 40 FEAB biogenic Cc1nc(COc2ccccc2)sc1C(=O)N1CCC(C(N)=O)CC1 36107967 DHBMMPTXJIETSV-UHFFFAOYSA-N 359.451 2.368 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1F 11290105 AMWWEUIKKUHTSN-DJJJIMSYSA-N 361.417 2.251 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 28962309 MXLMQAGEEGRYLI-KRWDZBQOSA-N 359.401 2.304 0 40 FEAB CC(C)n1ncc2cc(C(=O)N3CCN(c4ccccn4)CC3)cnc21 12926735 VZJSZGOTGZRUMI-UHFFFAOYSA-N 350.426 2.370 0 40 FEAB C[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCCO3)C[C@@H](C)O1 28048558 JQNPYNRDZWNKHA-NXEZZACHSA-N 356.216 2.470 0 40 FEAB Cc1csc(CC(=O)N2CCN(c3ncnc4sccc34)CC2)n1 8751177 MJWWGGCPPPBFIX-UHFFFAOYSA-N 359.480 2.348 0 40 FEAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 70715077 XPABESOBVKXJDN-QGZVFWFLSA-N 371.506 2.253 0 40 FEAB CN(C)c1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1 5321461 LNRAVMGTTRKTJG-UHFFFAOYSA-N 351.410 2.276 0 40 FEAB COc1ccc(F)cc1C(=O)CN1C(=O)c2ccccc2O[C@H](C)C1=O 6661368 IHCAOPBBLKGETJ-LLVKDONJSA-N 357.337 2.467 0 40 FEAB COc1ccc2nnc(CCC(=O)Nc3nc4ccccc4s3)n2n1 71285562 SZGHNECEPLHVEF-UHFFFAOYSA-N 354.395 2.314 0 40 FEAB CCCN(CCC)c1nc(-n2cccc2)nc(-n2nnc(C(C)=O)c2C)n1 4753997 HQQXBFZCPBBTSJ-UHFFFAOYSA-N 368.445 2.380 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1C(N)=O 66440494 OMROWFMJRXNTKI-SFHVURJKSA-N 365.433 2.266 0 40 FEAB COc1ccc(CN(C)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 15512900 KBHUQPLBYOTJPI-UHFFFAOYSA-N 373.365 2.001 0 40 FEAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1 67618233 WZLSBECRHRJFDS-RBUKOAKNSA-N 365.433 2.416 0 40 FEAB Cc1ccc(/C=C2\N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)o1 7397456 KHYMQHQIRBWRRR-GDNBJRDFSA-N 360.391 2.183 0 40 FEAB CC(C)Cn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 7425928 QBTSOBCWGDNSLT-UHFFFAOYSA-N 372.450 2.054 0 40 FEAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccnc2)CC1 19831708 AUNMWSZMDKUXRR-UHFFFAOYSA-N 371.437 2.065 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)cc1 8077481 YGAZIKOQWNTCCU-UHFFFAOYSA-N 358.463 2.185 0 40 FEAB O=C(OCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 84539369 NWXOLHHCKCTZCE-AEFFLSMTSA-N 357.381 2.073 0 40 FEAB O=C(c1ccoc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999174 AJWAARXCUAXWKW-MRXNPFEDSA-N 360.435 2.277 0 40 FEAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 306130871 JROWWQQTWLJABL-KRWDZBQOSA-N 361.461 2.413 0 40 FEAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(CC)cc1 408710368 ZKWRJCGMYALIBU-UHFFFAOYSA-N 353.422 2.254 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)cc1)O2 38849310 HVNKHVYDMOXZMK-MRXNPFEDSA-N 364.398 2.300 0 40 FEAB CC(C)Cc1nnc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)s1 61721318 XZFZJVGRBMLKPO-UHFFFAOYSA-N 361.471 2.201 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2nccn3cnnc23)C1 516589759 OIANPAYJJZKITE-SNVBAGLBSA-N 351.336 2.261 0 40 FEAB COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OC 524729983 PVXYIAVFMABULI-LBPRGKRZSA-N 359.378 2.161 0 40 FEAB biogenic CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)CC1 72378814 GBDMFJKADSUKQL-GOSISDBHSA-N 354.458 2.119 0 40 FEAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2CC(=O)N(C)C)c1 72377013 XITJLNFSAVBURB-QGZVFWFLSA-N 369.469 2.350 0 40 FEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC(C)(C)C 226054682 XQEHGUJMZNJELW-UHFFFAOYSA-N 370.515 2.470 0 40 FEAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NCc1nc(C)cs1 223411271 HENTUMMGHRHAJN-AWEZNQCLSA-N 359.451 2.268 0 40 FEAB COc1ccccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 47215239 RQHRKEWVZCAFSF-UHFFFAOYSA-N 373.434 2.294 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 48278360 FODOBFAOZUXPNC-OXJNMPFZSA-N 372.396 2.170 0 40 FEAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C[C@H](O)c1ccccc1 583622193 WQUPREXPEJDTGD-BZSNNMDCSA-N 373.476 2.125 0 40 FEAB Cn1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 583621369 WZLZEYVVBCBABE-IUODEOHRSA-N 353.344 2.316 0 40 FEAB O=C(c1ccncc1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239731 JHZOSNFDGZNLEW-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB O=C(NCc1cccnc1)C1=NO[C@]2(CCN(CC3CCCCC3)C2)C1 96225814 MPEDLCLOYLGZNM-HXUWFJFHSA-N 356.470 2.499 0 40 FEAB Cc1ccc(CNC(=O)[C@H]2c3c(ncn3C)CCN2Cc2cccnc2)o1 96264952 PJPDDNDGLBXFSH-LJQANCHMSA-N 365.437 2.132 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1 247730669 GUOPJVMUQKPYPD-LJQANCHMSA-N 370.453 2.165 0 40 FEAB CO[C@@H](CS(=O)(=O)N1CCN(C)c2ccncc21)c1ccc(F)cc1 528342809 RUPIEMLPVZVVBW-KRWDZBQOSA-N 365.430 2.194 0 40 FEAB COc1cccc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)c1 247867478 BPNHTEJOTJQIHI-LJQANCHMSA-N 374.481 2.068 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1OC 257332586 XXYAMPAEZIUJRB-KDOFPFPSSA-N 372.425 2.003 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)n1 257312912 UQDZNKQFVSEPIM-HNNXBMFYSA-N 357.458 2.432 0 40 FEAB Cc1cc2nccc(C3CCN(S(=O)(=O)c4cccnc4)CC3)n2n1 257247372 IYSUKSQDTHBGIZ-UHFFFAOYSA-N 357.439 2.001 0 40 FEAB COc1ccc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)cc1 254629451 UCVGHUMELVMNPM-UHFFFAOYSA-N 365.414 2.383 0 40 FEAB CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)COC(C)C)CC2)nn1C 257305968 SSHGQGQRZQAPBY-WKILWMFISA-N 350.507 2.297 0 40 FEAB COc1ccc(Cn2nccc2NC(=O)Cn2c(C)c(C)sc2=O)cc1 619596231 CCBFCULPRDPBIH-UHFFFAOYSA-N 372.450 2.419 0 40 FEAB CN(C)C(=O)C[C@@]1(O)CCCN(c2nccc(Oc3ccccc3)n2)C1 643719170 UTXJEJLAEJKNQR-IBGZPJMESA-N 356.426 2.079 0 40 FEAB COC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C)cn1 1148760642 CNHHTEUEAVJUJB-UHFFFAOYSA-N 350.378 2.292 0 40 FEAB CCc1nc(CN2CCN(C(=O)c3c(C)nsc3NC)CC2)cs1 299132383 PPYQGQCKMFJZFD-UHFFFAOYSA-N 365.528 2.470 0 40 FEAB CC(=O)NCc1nc(C2CCN(C(=O)C3CC(F)C3)CC2)n2ccccc12 585113198 ASHHZTJVLPHKCZ-UHFFFAOYSA-N 372.444 2.425 0 40 FEAB CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 585290064 RDRLOSMRFMVVQF-RCCFBDPRSA-N 352.862 2.165 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)c1 51163266 UPBKLWKQBUPIJE-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc3C2)c1C 5212107 XIAUNDURXAPYIW-UHFFFAOYSA-N 370.405 2.160 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)N[C@H]2CCCc3ccccc32)c1=O 12146616 DMGYHTCBLJLEAO-INIZCTEOSA-N 364.405 2.279 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 12196662 DGQYGZGBUNUMPO-GFCCVEGCSA-N 354.453 2.058 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 13574987 VCHIEKONPXTXBN-NXVBXIDHSA-N 367.449 2.020 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2)cc1Cl 13960276 JGRCKUHDLGBJIH-XGUBFFRZSA-N 357.797 2.252 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1 15221158 WFZBIGGVOBTRRO-AWEZNQCLSA-N 361.419 2.088 0 40 FEAB Cc1cccn2cc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)nc12 19719056 YOIZAQFCUUPNAA-CYBMUJFWSA-N 352.369 2.317 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 19886406 UTDBHAYEIBNYDF-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H]1CC[C@H](C(=O)O)CC1 100766803 YHVHPRMGHULEPG-XBXGTLAGSA-N 359.378 2.179 0 40 FEAB CC(C)(C)OC(=O)N1CCC(n2nnc3c(O)nc(C4CC4)nc32)CC1 12219876 RDDCOVKTSTZVBF-UHFFFAOYSA-N 360.418 2.376 0 40 FEAB Cn1ccc2cc([C@H](O)CNC(=O)[C@H]3COc4ccccc4O3)ccc21 238952614 XGNHEUIOTSHNCO-VQIMIIECSA-N 352.390 2.168 0 40 FEAB COC1(CNC(=O)C(=O)Nc2cccc(SC)c2)CCSCC1 240067948 SENGURSGXGXJLB-UHFFFAOYSA-N 354.497 2.375 0 40 FEAB Cc1cccnc1C(=O)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056224158 KQUFCSXLDJRUFC-INIZCTEOSA-N 354.479 2.275 0 40 FEAB O=C(NCc1cccs1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374507 JALFOEMESRKDKN-LBPRGKRZSA-N 373.434 2.124 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC1CCN(CCC2OCCO2)CC1 1849470097 IHRMXNPCDUEKFQ-UHFFFAOYSA-N 357.454 2.180 0 40 FEAB O=C(c1ccco1)N1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713285 TYURWNMAFLJLCO-UHFFFAOYSA-N 368.393 2.017 0 40 FEAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccc4ccccc4c3)C2)n1 1775967061 CXFWOGVEAAECPZ-UHFFFAOYSA-N 363.417 2.242 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597686 XPDRWSMIFGTLCM-UHFFFAOYSA-N 360.395 2.293 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2cc(C)oc(=O)c2)C1 218913888 FLRQWYILGPICJW-ZDUSSCGKSA-N 357.362 2.028 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 40030624 UIZPAYUZYPEIOE-LJQANCHMSA-N 374.506 2.483 0 40 FEAB COc1ccc2cnn(CC(=O)Nc3ccccc3F)c(=O)c2c1OC 32096183 IEOHUZKVVVGMQX-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N(C)C 32695300 LPEJJVLNRNBNMZ-QGZVFWFLSA-N 367.453 2.252 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O 4999910 KGCYTLKHMWYJQM-UHFFFAOYSA-N 355.438 2.190 0 40 FEAB CSc1ccccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6852347 LDEAPRSOLYYQTM-UHFFFAOYSA-N 357.391 2.374 0 40 FEAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6957752 MTUVVHOYRQILDH-UHFFFAOYSA-N 370.515 2.239 0 40 FEAB COc1ccccc1NC(=O)C[C@@H](NCCNc1cccc(C)c1)C(=O)O 8414809 ZWQITJIYAICSQW-QGZVFWFLSA-N 371.437 2.487 0 40 FEAB CCN(CC)C(=O)CSc1nnc(SCc2cccc(F)c2)n1N 22533008 GFUZFHZHEJMTSN-UHFFFAOYSA-N 369.491 2.384 0 40 FEAB COc1ccc2nc(N3CCN(C(=O)c4cc(C)nn4C)CC3)sc2c1 9122556 ZLQHPMWIFLVCAV-UHFFFAOYSA-N 371.466 2.309 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cnc(C)cn3)n(C)n2)CC1 100687700 HDNBVIVGMMSMEA-IYBDPMFKSA-N 370.501 2.284 0 40 FEAB CC(=O)c1ccc(N2CCN(CC(=O)NCc3cccs3)CC2)cc1 57449829 QECWPOIJJRZKJA-UHFFFAOYSA-N 357.479 2.389 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cccc(C)c3N)ccc21 12543405 CPRSCJRRZKFHHL-UHFFFAOYSA-N 367.405 2.282 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20458759 PIEIOWBZNILJAC-UHFFFAOYSA-N 370.434 2.309 0 40 FEAB Cc1cccc(N2CCN(C(=O)CSc3nnnn3C(C)(C)C)CC2)c1 29798556 GQJZOGAKYKZQGW-UHFFFAOYSA-N 374.514 2.177 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12538680 BCUKBTQVZIJTGQ-DOMZBBRYSA-N 369.387 2.126 0 40 FEAB CSCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 57257240 OXHVMNUQBGENBE-SNVBAGLBSA-N 372.288 2.384 0 40 FEAB COc1cc(CNC(=O)CCC(=O)N2CCc3sccc3C2)ccc1O 56371856 GMIKZRPKMRXESE-UHFFFAOYSA-N 374.462 2.444 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 26538454 HFCCVKWTJFTFBU-UHFFFAOYSA-N 354.406 2.387 0 40 FEAB CN1C(=O)COc2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc21 61997466 IPHRCBGIXPLLIV-UHFFFAOYSA-N 370.327 2.025 0 40 FEAB CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)C(C)C 3283977 CBYLNEQALIPWLQ-UHFFFAOYSA-N 354.834 2.258 0 40 FEAB Cc1cc(C(=O)OCC(=O)NCc2ccco2)c2cnn(C(C)C)c2n1 10028918 PVQOAQWGBLTNTJ-UHFFFAOYSA-N 356.382 2.387 0 40 FEAB COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 58195665 CWEWDZIBHPGNTL-UHFFFAOYSA-N 362.769 2.243 0 40 FEAB O=C(c1ccccc1I)N1CCC2(CC1)OCCO2 28023508 BVWKQYSKBUSGGD-UHFFFAOYSA-N 373.190 2.270 0 40 FEAB CC1CCN(C[C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 58311573 JIMAOEPWFSHHMA-QGZVFWFLSA-N 368.485 2.246 0 40 FEAB COC(=O)[C@@](O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F 2300619 SUEIAXLSIGEWDH-HNNXBMFYSA-N 373.283 2.463 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)OC 12752035 BTWWNOKEBNNDJO-CABZTGNLSA-N 359.831 2.042 0 40 FEAB COc1ccc(CCC(=O)N2CCC(CN3CCOCC3)CC2)cc1F 48333485 VSSIZGYGTVIGDM-UHFFFAOYSA-N 364.461 2.338 0 40 FEAB COc1ccc2c(CC(=O)NC[C@@H]3CN(CC(C)C)CCO3)coc2c1 12872666 OOKNBJZUJHCCDN-QGZVFWFLSA-N 360.454 2.457 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 12977405 TVHBBBDUVHJGCS-QMMMGPOBSA-N 365.149 2.481 0 40 FEAB CN(CCOc1ccc(Br)cc1)c1ncccc1C(N)=O 12943862 IULXVGMDJMGZIL-UHFFFAOYSA-N 350.216 2.458 0 40 FEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1 18217889 AVUVKXXSPFXYRO-LJQANCHMSA-N 372.513 2.451 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408587585 FCALPQQWWULITB-ZIAGYGMSSA-N 356.488 2.445 0 40 FEAB O=C(O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 14009902 IYMJPLUWTWZKMO-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB Cc1ccccc1CNC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 14116230 LPACCAWHSRTANB-UHFFFAOYSA-N 368.462 2.337 0 40 FEAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 6561579 QTOYRDCZYFQELG-UHFFFAOYSA-N 367.814 2.198 0 40 FEAB COc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)NC2=O)c1 67172600 YSXFFYVHEPVXMH-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB COc1cccc(CC(=O)OCC(=O)Nc2ccc(OC)cc2OC)c1 5962331 FKXUIPJLIJXIQM-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2c3ccccc3C[C@H]2C)c1C 15376036 XFNTZXYDSVMCOR-CYBMUJFWSA-N 373.478 2.341 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)NCc1ccco1 7952975 NFKOZNYVANJVKV-UHFFFAOYSA-N 352.394 2.128 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)C1CC1 96000366 ASBBNLCXYZGICN-QGZVFWFLSA-N 361.467 2.355 0 40 FEAB CCN(C[C@H]1CCN(C(=O)c2c(O)nnc(C)c2C)C1)CC(F)(F)F 81447971 MQNPJJDCSMGNRH-GFCCVEGCSA-N 360.380 2.145 0 40 FEAB COc1cc(OC)nc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)n1 71405922 DIHDSCGCKLQQKX-NSHDSACASA-N 361.785 2.269 0 40 FEAB CCn1cc(C(=O)NCCCn2nc(C)cc2C)c(=O)c2ccc(C)nc21 8232054 LCMISUISOFJSHA-UHFFFAOYSA-N 367.453 2.358 0 40 FEAB CCCn1c(=O)n(CCC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 9337203 UMNMKTKOTUTONW-UHFFFAOYSA-N 366.421 2.341 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)s1 9482044 OIRZLXZMLMVVQQ-AWEZNQCLSA-N 354.497 2.246 0 40 FEAB COc1cc2nc(CSc3nnc(C)s3)[nH]c(=O)c2cc1OC 9482041 KJYXGHQKESPEEC-UHFFFAOYSA-N 350.425 2.393 0 40 FEAB CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc(Cn2cncn2)cc1 89950281 MGUVFDDGCZZTAX-MRXNPFEDSA-N 358.446 2.143 0 40 FEAB Cc1cc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)nn1C 1548348456 MDDAOCIQVRONAE-UHFFFAOYSA-N 368.437 2.262 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373087 GBBQIRFNKIROLS-SJORKVTESA-N 372.513 2.018 0 40 FEAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N[C@@H]1CCS(=O)(=O)C1 524734932 KMHVMGMXLGINLN-CVEARBPZSA-N 366.870 2.424 0 40 FEAB CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1cc(C)ccc1OC 39985692 UFQPBJUXFTYVFW-UHFFFAOYSA-N 368.499 2.273 0 40 FEAB O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 560428707 SKWOEBICARJSRC-GOSISDBHSA-N 363.483 2.393 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218620314 BJVJTQCRRMOEPG-YESZJQIVSA-N 350.871 2.244 0 40 FEAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218663565 KVNGUSYHLWIQQR-HRCADAONSA-N 354.834 2.075 0 40 FEAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)cc1 224866440 IDEAPDOTSVZLKD-UHFFFAOYSA-N 371.361 2.342 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1 40023486 RXSRBRSYTMVKET-UHFFFAOYSA-N 353.469 2.239 0 40 FEAB O=C(c1snnc1-c1ccc(Br)cc1)N1CCOCC1 225785225 YBTRICYGLIQXJI-UHFFFAOYSA-N 354.229 2.440 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCC1=CCCCC1 224554056 KZFXQAYCOBTMKI-UHFFFAOYSA-N 362.451 2.228 0 40 FEAB CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Cl)cc1F 573303337 OPHJVLCUAJMSIM-BDJLRTHQSA-N 364.808 2.395 0 40 FEAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1 224851531 UZMFCUYZXHXEFR-UHFFFAOYSA-N 365.407 2.072 0 40 FEAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2cccc(C)c2)s1 224312969 UTWLASJNXIVPOP-UHFFFAOYSA-N 373.481 2.054 0 40 FEAB Cc1ccccc1N1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 193256377 HEGCAPLOCLBANR-UHFFFAOYSA-N 374.466 2.148 0 40 FEAB Cc1ccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 95117183 ITPHAVDZEKELRM-INIZCTEOSA-N 353.415 2.340 0 40 FEAB Cc1[nH]c2ccc(C(=O)N3CCN([C@H]4CCNC(=O)CC4)CC3)cc2c1C 333472036 GAAPZAJOZHLMEZ-QGZVFWFLSA-N 368.481 2.211 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCC[C@H](C)C3)c(=O)cc2OC)cc1 96183152 IZNLCBNJBNRGSH-AWEZNQCLSA-N 371.437 2.186 0 40 FEAB CCN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)c1ccccc1O2 96079758 QUMJCAQMKQLAAQ-INIZCTEOSA-N 350.484 2.447 0 40 FEAB Cn1ccnc1CN1CCC2(CC1)CCN(C(=O)Cc1ccccc1)C2 96157512 BVCBUEMAHOTZHO-UHFFFAOYSA-N 352.482 2.477 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H](N(C)Cc2cccnc2)C[C@@H]1C(=O)O 96198748 KGVIYGNQUJLCFP-NVXWUHKLSA-N 357.410 2.173 0 40 FEAB Cc1cccc(CN2C[C@H]3OCCN(C(=O)c4cscn4)C[C@H]3C2)c1 96108097 ZZJFTFUXLCVJKY-SJLPKXTDSA-N 357.479 2.425 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](OCc2ccccn2)C1 247731965 HRCIHGCPLJXXER-IBGZPJMESA-N 370.453 2.165 0 40 FEAB Cn1cc(C(=O)N2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)cn1 248121688 KHRAYNKSJBQZAN-LJQANCHMSA-N 372.469 2.252 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 247820999 DAGBMGNOTZTUCT-INIZCTEOSA-N 369.421 2.076 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)on1 253601045 HWDBYZPGANDFEE-HNNXBMFYSA-N 372.425 2.172 0 40 FEAB CCN(CC)C(=O)CN1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257241750 HZLWERSWTKCSBP-SFHVURJKSA-N 369.469 2.462 0 40 FEAB CCn1cnc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ncnc21 280915052 HXFKTMCHGFDVFV-BETUJISGSA-N 358.446 2.149 0 40 FEAB CCn1nnc2cc(C(=O)N3CC(C)(C)C(=O)Nc4ccncc43)ccc21 1775961885 GYHBXDLSAPGAIX-UHFFFAOYSA-N 364.409 2.471 0 40 FEAB CC(=O)N1C[C@]2(C[C@@H](O)[C@H](N3CCc4ccccc4CC3)C2)[C@@H]1C(C)C 1775956865 XMMLRSAECHCBGQ-CZYKHXBRSA-N 356.510 2.484 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NC[C@@](C)(OC)c1ccccc1F 96391344 ZYTJYEDQZSKFNG-HXUWFJFHSA-N 374.412 2.129 0 40 FEAB CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccn3)CC2)s1 610366902 WCERPCVKNRDCRC-UHFFFAOYSA-N 361.427 2.069 0 40 FEAB Cc1nn(CCn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c(=O)o1 641443314 XQJPCFKEDFMJCK-UHFFFAOYSA-N 366.299 2.087 0 40 FEAB CO[C@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1cccc(C)c1 585290920 ITYPFHKSWYMCCE-YIEYKEOMSA-N 372.509 2.289 0 40 FEAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cnc3c[nH]nc3c2)c1 1630305543 OQQZGBHXCUJZQY-LBPRGKRZSA-N 351.410 2.416 0 40 FEAB COC(=O)c1scc(S(=O)(=O)C(C)C)c1I 1037598 OSLCIKKTUQNBGE-UHFFFAOYSA-N 374.221 2.321 0 40 FEAB COc1ccc([C@@H](NC(=O)c2ccccn2)c2nccn2C)cc1OC 12114943 VBCOARAGIGPNRJ-QGZVFWFLSA-N 352.394 2.352 0 40 FEAB Cc1nc2c(c(=O)n1CC(=O)NC(C)(C)C)CCN(Cc1ccccc1)C2 12186294 GRQWGEBBAHTLPK-UHFFFAOYSA-N 368.481 2.025 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 19590432 IMUMHICZDKEFDD-CQSZACIVSA-N 367.453 2.350 0 40 FEAB Cn1cnc2ccc(NC(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)cc21 19717260 QJOPUMXWVDTHER-HNNXBMFYSA-N 363.377 2.027 0 40 FEAB CC(C)(C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935182 JDFNTHNBNGCJAH-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB COCc1nsc(N2C[C@H]3CCC[C@]3(COc3nccc(C)n3)C2)n1 1888866965 KGDXTENCYWLIAN-CXAGYDPISA-N 361.471 2.468 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)[nH]1 1889128326 XXRYZOAVVGDDSU-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 4568910 WAXXVYIMANUYLZ-MRXNPFEDSA-N 374.462 2.278 0 40 FEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cc(F)ccc1F 4941361 IBRMKSVQKDLINH-GFCCVEGCSA-N 354.353 2.095 0 40 FEAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 9570880 UXCLCWHNZAPCJD-UHFFFAOYSA-N 351.263 2.149 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)CC(C)C)CC1 2055756358 HYEAXBLTSXFNLJ-UHFFFAOYSA-N 361.486 2.268 0 40 FEAB CC(C)c1nc(S(=O)(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cn1C 225603010 WKVIQGARICELSI-ZDUSSCGKSA-N 363.483 2.388 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1 40088149 UBNDOKOMOADRCA-UHFFFAOYSA-N 357.391 2.430 0 40 FEAB Cc1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1C 29507953 MHQNCZYJWPDPKM-UHFFFAOYSA-N 350.378 2.289 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813981 XXLAFJDJKJYQOZ-CQSZACIVSA-N 368.499 2.319 0 40 FEAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(COCc2ccco2)c1 46684277 KWWSJLXYERLFCH-UHFFFAOYSA-N 356.378 2.474 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C)cc1 32821084 KTBFBDVRPINJJV-KRWDZBQOSA-N 369.421 2.198 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 6267097 IYRABOFTILRPAY-SECBINFHSA-N 358.341 2.409 0 40 FEAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(Cl)cc1 7602417 DIHCBWJVCAUHQZ-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1COc2ccccc2C1 53042493 OPGSXXNTIWYADX-OAHLLOKOSA-N 351.358 2.292 0 40 FEAB CCN(Cc1ccc(Br)s1)C(=O)C1=NN(C)C(=O)CC1 53176931 YLVMLQPTSUHXSH-UHFFFAOYSA-N 358.261 2.467 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104006395 HTHTYQZAOXWJAM-CXTCDGGRSA-N 354.410 2.037 0 40 FEAB COc1ccc(NC(=O)CN2CCN(Cc3cccc(OC)c3)CC2)cc1 22937373 WEPKPLUPHXBJII-UHFFFAOYSA-N 369.465 2.460 0 40 FEAB CCOc1cc(CNCCN(C)C)ccc1OCC(=O)NC(C)(C)C 22075882 WJFBKIUTUHEMEH-UHFFFAOYSA-N 351.491 2.030 0 40 FEAB Cc1ccc(CN2CCCN(C(=O)CN(C)C(=O)c3ccco3)CC2)cc1 47455877 NQXFFYGACTUATP-UHFFFAOYSA-N 369.465 2.395 0 40 FEAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccccc3O)C2=O)cc1 100609068 CRGOTHMRGCHBGL-OAHLLOKOSA-N 354.362 2.313 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)C1 54777186 ZBGZXQRRCVNSHN-LBPRGKRZSA-N 365.861 2.139 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100610480 UVQZRBXHIFIIGS-RBSFLKMASA-N 366.483 2.074 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccnc2)s1 24430672 FNMMADSEZAHTSX-CYBMUJFWSA-N 351.453 2.243 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 107875583 IFPAGQQCCQAAAY-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 55620442 KDCWKPNFQSMBEZ-UHFFFAOYSA-N 366.826 2.435 0 40 FEAB CCOC(=O)C(NC(=O)c1cc2c(s1)CCCCC2)C(=O)OCC 25982361 UISRLDNLSNDJMI-UHFFFAOYSA-N 353.440 2.242 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)cc1C(C)(C)C 101370794 KWVCQILCYXOADA-UHFFFAOYSA-O 366.507 2.367 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 12613482 PIXMIASQLILJNX-MGPUTAFESA-N 373.453 2.253 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 48234643 WCUXQMMQKURQLL-CQSZACIVSA-N 369.421 2.202 0 40 FEAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(OCC(F)(F)F)cc1 10030974 NICDCOSTUAASKB-UHFFFAOYSA-N 360.332 2.205 0 40 FEAB COc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 58180442 DLFDIVJQILQRJB-UHFFFAOYSA-N 374.871 2.005 0 40 FEAB O=C(Cn1c(-c2cccnc2)noc1=O)N[C@H]1CCCc2ccccc21 58147265 UUZNSDBVODCBLX-INIZCTEOSA-N 350.378 2.092 0 40 FEAB CC1CCN(C(=O)[C@H](NCc2nnnn2C2CC2)c2ccccc2)CC1 58308696 JVEHQHJOIFMNLC-GOSISDBHSA-N 354.458 2.097 0 40 FEAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc(S(N)(=O)=O)c1C 10685836 AZQYPBJSLLFWIS-ZDUSSCGKSA-N 361.419 2.379 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 97088198 GSOIVFWYAPTFQG-LBPRGKRZSA-N 362.382 2.294 0 40 FEAB Cn1ccnc1[C@@](O)(CCNc1nccc(C(F)(F)F)n1)C(F)(F)F 45802401 KWHMYAPPOLCLJQ-NSHDSACASA-N 369.269 2.481 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 3553679 RGKRXGLTKYZRBW-ZDUSSCGKSA-N 373.430 2.225 0 40 FEAB COc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1F 8747866 IPIKGPXINBXINN-UHFFFAOYSA-N 355.369 2.353 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 8883981 LIIUVEXRXWLOAR-UHFFFAOYSA-N 357.410 2.399 0 40 FEAB CCN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)C1CCCCC1 6354428 QSPBRJYOCWFUPV-UHFFFAOYSA-N 372.421 2.007 0 40 FEAB COc1ccccc1C1=NO[C@@H](CN2C(=O)c3ccccc3S2(=O)=O)C1 5353871 ROIHCWDGULWXSE-GFCCVEGCSA-N 372.402 2.033 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(F)cc1 6476130 FJJTZVNKVLMFPR-UHFFFAOYSA-N 355.321 2.238 0 40 FEAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2cncn2)cc1 14197211 SYAWKQLOSHCNER-CQSZACIVSA-N 355.442 2.141 0 40 FEAB Cn1c(SCC(=O)NCCc2ccccc2)nc2ccsc2c1=O 14159868 TUTKCWJZLFYJLR-UHFFFAOYSA-N 359.476 2.446 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 14157723 ABRHLZITEBBWOM-OWZDWXTDSA-N 373.453 2.157 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)C(=O)OC 6640881 OPKXPDLKLJWDGG-UHOFOFEASA-N 366.433 2.284 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060380 ZSQFUSSXMVOKQX-AWEZNQCLSA-N 368.416 2.067 0 40 FEAB C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4ncccn4)c(O)n1c23 5898387 QFBVZIJJWGQEKC-SECBINFHSA-N 354.341 2.396 0 40 FEAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2N)c1 4971829 NSYJPPHYOFRCEU-UHFFFAOYSA-N 368.372 2.199 0 40 FEAB CCOC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1oc(CO)cc(=O)c1O 71286237 BZASDRYVICMPIC-JTQLQIEISA-N 372.295 2.340 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccnn3C(C)C)ccc21 15127982 YADVQHBRDYHLRG-UHFFFAOYSA-N 356.386 2.024 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 7006540 LMGBDEYPSHWHLH-UHFFFAOYSA-N 372.368 2.325 0 40 FEAB C#CCN1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)nc(C)c1C 72290891 RKPOWUUUKZMTIX-KRWDZBQOSA-N 364.453 2.086 0 40 FEAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 15842686 XYWJDOVVAUPYHB-AWEZNQCLSA-N 372.446 2.238 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 16093336 VMNBTZDAOZEYFY-UHFFFAOYSA-N 372.372 2.006 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)CCn2c(=O)oc3ccccc32)cc1 7848691 JMSZSONUVCMQGE-UHFFFAOYSA-N 367.405 2.003 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(F)c2)C1=O 8158546 QLUJMSHWUVIBQS-LJQANCHMSA-N 371.368 2.093 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1C 8191951 CDZREJGYQOPWCR-KRWDZBQOSA-N 362.495 2.493 0 40 FEAB COc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)c(OC)c1 9668353 SNDQXYGTFMGUAW-UHFFFAOYSA-N 362.357 2.437 0 40 FEAB CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)N(C)C 97166145 HVNRJINOAYSSSR-GOSISDBHSA-N 369.531 2.314 0 40 FEAB CCCCO[C@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2cnccn2)C1(C)C 72310268 HJIUDXMMNMLMNN-CVEARBPZSA-N 362.474 2.039 0 40 FEAB Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC1CCC(C)CC1 72306881 AFCOTEBKSZWQAA-UHFFFAOYSA-N 361.486 2.298 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4cccnc4)nc3[C@@H]2C)no1 306134593 NSUYFTDNBXFWPD-AWEZNQCLSA-N 366.425 2.081 0 40 FEAB COc1ccc(CC(=O)Nc2ccccc2NS(C)(=O)=O)cc1OC 24881879 SNLMLXFKSBELST-UHFFFAOYSA-N 364.423 2.257 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306135794 PBDYUCVZBLIZRD-HNNXBMFYSA-N 357.410 2.080 0 40 FEAB NS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1 32754663 LHEPJVUKMMTWQX-UHFFFAOYSA-N 356.350 2.329 0 40 FEAB CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413475 QLLYXHXOZWISSL-MSOLQXFVSA-N 359.470 2.372 0 40 FEAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 70639778 YNFTUBZBYIQHRY-KRWDZBQOSA-N 350.777 2.442 0 40 FEAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217501917 FLNCLMWCCAMZBT-AWEZNQCLSA-N 370.471 2.300 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72362718 UNOQHYZYJWTQFS-AWEZNQCLSA-N 372.400 2.250 0 40 FEAB C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)N=c1nc(Cc2ccc(F)cc2)[nH]o1 568360660 JYKJLVCZBUUMRB-BBRMVZONSA-N 373.432 2.312 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cnccn1 85470781 ZWHYHDYHZUJDHI-CYBMUJFWSA-N 364.384 2.081 0 40 FEAB O=C(N[C@H]1CCc2ccccc21)c1cn(C[C@@H](O)c2ccsc2)nn1 225583017 FKYMIVMMUJRIII-DOTOQJQBSA-N 354.435 2.491 0 40 FEAB COc1ccc([C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 48314596 VITNPLFJBYYCHI-QGZVFWFLSA-N 371.437 2.127 0 40 FEAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 49931986 JJCWMRAPYNKXPY-LBPRGKRZSA-N 374.890 2.279 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1 225403948 NCYOFHGLHDHKNM-GFCCVEGCSA-N 366.468 2.243 0 40 FEAB Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1S(N)(=O)=O 45035723 QNAAOQWRVNDPBM-UHFFFAOYSA-N 362.407 2.315 0 40 FEAB COc1ccc(-c2nc(CCNC(=O)c3ccc(=O)n(C)c3)co2)cc1 1584205760 HWRKHPKZWGSMBG-UHFFFAOYSA-N 353.378 2.021 0 40 FEAB Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 222603464 CHRXRXGVUKENSE-HNNXBMFYSA-N 370.540 2.016 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1C 226045184 NQRZEKGIYVUTHI-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB COc1ccccc1N(CCCC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225226897 ZVGJDFDKMROGAC-AWEZNQCLSA-N 356.488 2.402 0 40 FEAB C[C@@](CO)(NCc1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 331342849 KUWCWHMTNQSKHF-INIZCTEOSA-N 360.907 2.408 0 40 FEAB O=C(CS(=O)(=O)C1CC1)N1CCCc2c([nH]c3c(F)cccc23)C1 583976174 XSPDMRVWGUFFBL-UHFFFAOYSA-N 350.415 2.159 0 40 FEAB Cc1nc(N2CC[C@@H](n3cc(C(=O)O)nn3)C2)c2c3c(sc2n1)CCC3 583376514 RFUPFBDUNXXPKB-SNVBAGLBSA-N 370.438 2.230 0 40 FEAB COC[C@@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)N1CC1CC1 96207616 FAGBORINZWSRIV-SFHVURJKSA-N 350.503 2.295 0 40 FEAB Cc1occc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 96039534 GBBGCHHUUPUUDK-MJGOQNOKSA-N 350.459 2.178 0 40 FEAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@@]1(COC(=O)C1)O2 524730774 XCEIXRWKIFQZDC-KGUMHCDKSA-N 352.471 2.427 0 40 FEAB biogenic COc1cc(N2CC3(C[C@H](OCc4cccc(C)n4)CCO3)C2)ncn1 247863459 HGPCUJMIUFZZBN-MRXNPFEDSA-N 356.426 2.143 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)cn1 257321343 WBFQGQZUQKVEQC-QGZVFWFLSA-N 354.410 2.099 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 604382200 KNQIJSUWMBVVED-UAFMIMERSA-N 371.456 2.183 0 40 FEAB biogenic,in-vitro CCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1OC 257205983 BBJKYBBDIGZUIT-KDOFPFPSSA-N 373.478 2.420 0 40 FEAB CCCn1ccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)C)n1 257276913 NVQULTKQBLIHAO-HNNXBMFYSA-N 358.446 2.085 0 40 FEAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2ccccc12 1635964907 DOJOVSGTJTXSHL-GOSISDBHSA-N 351.406 2.396 0 40 FEAB C[C@H](C(=O)N[C@H](C)C1CCN(C(=O)COCC(F)F)CC1)c1ccco1 1775990868 HTZZKCTUHQNGFZ-QWHCGFSZSA-N 372.412 2.408 0 40 FEAB Cn1nc(-c2cccs2)cc1C(=O)NCc1nc(C2CCOCC2)no1 575616119 HCKPPSHQHJJAOR-UHFFFAOYSA-N 373.438 2.356 0 40 FEAB Cc1ccoc1C(=O)N1CCn2c(COc3cccnc3)nnc2[C@@H]1C 585096755 CGHCOZUUCRSENH-ZDUSSCGKSA-N 353.382 2.371 0 40 FEAB CCCNC(=O)C1=NO[C@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101219 OMXQSVZKHQPQFI-OAHLLOKOSA-N 371.363 2.137 0 40 FEAB O=C(O)c1ccc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)cc1 585276221 DUBBYTOQDMNYDD-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)c(C)o1 585096928 FRSQOLGKXKGCGR-OAHLLOKOSA-N 356.426 2.130 0 40 FEAB CCCc1cc(C(=O)N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)n[nH]1 681953639 OYCMUSMFFKNJHY-AWEZNQCLSA-N 353.430 2.040 0 40 FEAB CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594953 KJAUWZFUFYOQRK-HMXCVIKNSA-N 373.541 2.010 0 40 FEAB c1ccc2c(c1)NCCNCCNc1ccccc1OCCNCCO2 5391047 CWKWABLMCSSKHI-UHFFFAOYSA-N 356.470 2.161 0 40 FEAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1F 12182675 BCJVGOLPNOJIEE-CQSZACIVSA-N 354.385 2.068 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)[C@H](C)c3ccccc3)c2n1 12337195 AJIGMIURBFLACQ-IUODEOHRSA-N 366.425 2.030 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13549568 BHVRTAGZNFRZOQ-SNVBAGLBSA-N 360.805 2.132 0 40 FEAB CCCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582701 MVFQYEWRTQADNA-UHFFFAOYSA-N 358.460 2.020 0 40 FEAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 15880144 BQJPDIBAJHZRBM-UHFFFAOYSA-N 365.480 2.177 0 40 FEAB Cc1cc(N2CCN(CC(=O)Nc3ccn(C)n3)CC2)nc2ccccc12 19119009 KQCHTGCKKTVINO-UHFFFAOYSA-N 364.453 2.037 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(CC4CCCCC4)CC3)n2CC1 19709436 DTGYESYOFISOLD-UHFFFAOYSA-N 359.518 2.442 0 40 FEAB CC(C)[C@H](CNC(=O)c1cn2cc(Cl)ccc2n1)N1CCOCC1 19716813 JSKIROSENJVUAP-HNNXBMFYSA-N 350.850 2.074 0 40 FEAB CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 2556719 BAIDNIBSOZLYQU-GJZGRUSLSA-N 350.415 2.163 0 40 FEAB in-vitro CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 537608269 QIENWUHQTSGUFX-ROUUACIJSA-N 359.470 2.102 0 40 FEAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 2726569 HXCWJVOXHOBRFW-UHFFFAOYSA-N 370.386 2.418 0 40 FEAB COc1cccc(/C=C/C(=O)Nc2cccc3c2C(=O)NC3=O)c1OC 5860676 PYDHRHCWIKSGLY-MDZDMXLPSA-N 352.346 2.239 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(c4nnc(C)s4)CC3)nc(C)n2)n1 1888935246 OIGSXOPPRACTML-UHFFFAOYSA-N 370.486 2.074 0 40 FEAB COCCN1CC[C@]2(CCCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 1614946582 YJHTXBSCJIZMFY-HXUWFJFHSA-N 362.445 2.246 0 40 FEAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NCCc1ccccc1 4328586 CPEVKWVHARKWQA-UHFFFAOYSA-N 362.480 2.338 0 40 FEAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnnn32)CO1 6646117 FWOJTMVPQKKRCQ-UHFFFAOYSA-N 353.407 2.341 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC(C)C)c1c(C)cccc12 8843735 VCFOHFKWUHPYGO-GOSISDBHSA-N 374.466 2.153 0 40 FEAB CCOc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250777 DNEGSASRBJWRMN-UHFFFAOYSA-N 355.398 2.131 0 40 FEAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC(c2nc(-c3ncccn3)no2)C1 49482825 MKTFLCNDBWGGGP-UHFFFAOYSA-N 373.376 2.156 0 40 FEAB CCn1cc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)cn1 575414283 AMBJZIISHOHMSI-UHFFFAOYSA-N 373.847 2.146 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575613573 TWMDSMAOKDXHIA-HXUWFJFHSA-N 357.454 2.081 0 40 FEAB O=C(NCC(=O)N1CCC[C@H](Oc2ccncc2)C1)OCc1ccccc1 575611629 FBGXOGMZVILKKF-SFHVURJKSA-N 369.421 2.378 0 40 FEAB CC(C)c1ccccc1OC[C@H](O)CN1CCC(N2CCNC2=O)CC1 51449899 PUHPRFLWXXIJGR-QGZVFWFLSA-N 361.486 2.039 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC2(c3ccccc3)CC2)c1 11749963 ONUMCDKYBPMYLC-UHFFFAOYSA-N 358.463 2.399 0 40 FEAB COC(=O)c1cn(CC(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc12 21493231 NUNWZRSZJMHWNT-GOSISDBHSA-N 366.373 2.198 0 40 FEAB C[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)Nc1ccccc1 21590857 HCTWSWLPHZVWKJ-AWEZNQCLSA-N 355.394 2.102 0 40 FEAB CCOc1ccccc1N1C[C@@H](C(=O)NCCc2ccccn2)CC1=O 21773149 UWPLFXZIZGIISQ-HNNXBMFYSA-N 353.422 2.192 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)c1 8294511 NPWSUSCNRGMILM-UHFFFAOYSA-N 374.466 2.291 0 40 FEAB CCOC(=O)N[C@H](C(=O)NCc1ccc(N2CCCCC2)nc1)C(C)C 53509839 GINSECLHPBWRRB-KRWDZBQOSA-N 362.474 2.459 0 40 FEAB CCn1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1=O 47181584 DJWIMFVIEWQJKT-UHFFFAOYSA-N 360.410 2.465 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(CC(=O)OC(C)(C)C)CC1 22786938 WHNYCBJCFNDDHF-UHFFFAOYSA-N 361.486 2.147 0 40 FEAB COc1ccc(NC(=O)Cc2nc3ccc(F)cc3c(=O)[nH]2)cc1OC 53856055 BITJXERDJZQCKW-UHFFFAOYSA-N 357.341 2.261 0 40 FEAB COc1ccc(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 24002069 UHTZQNAMFCIACW-FQEVSTJZSA-N 370.449 2.091 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1 105931337 DAZALVWBGUJLLO-UHFFFAOYSA-N 374.890 2.466 0 40 FEAB Cc1ccn2ncc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2n1 75671429 JFLVLCJGUVIVFL-UHFFFAOYSA-N 363.421 2.072 0 40 FEAB Cc1ccccc1NCCC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 57054628 UAWWFUULOGQFSP-UHFFFAOYSA-N 352.438 2.372 0 40 FEAB Cc1ccc(O)c(CNCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)n1 108420618 ZZBVUBCPLANJFO-SFHVURJKSA-N 368.481 2.083 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1nc2ccccc2s1 27976062 OVOXTRBLWJIFLY-UHFFFAOYSA-N 352.379 2.290 0 40 FEAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)c2c(C)cc(=O)oc2c1 2121209 GROJVGYPODRKQN-UHFFFAOYSA-N 359.378 2.112 0 40 FEAB biogenic Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccccc1F 3398991 ZUUROIIQIRPAHZ-UHFFFAOYSA-N 368.397 2.476 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)/N=c1\sccn1C 29649799 ZEEXCYHDLKULCS-BPHPCYGNSA-N 353.394 2.247 0 40 FEAB Cc1nc2ccc(I)cc2c(=O)n1C(C)(C)CO 26580462 RFUAOPXOQNXBDC-UHFFFAOYSA-N 358.179 2.037 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccncc1)C2=O 36661925 GFRCRSKQZPURHM-AKCHCHLHSA-N 370.453 2.246 0 40 FEAB C[C@H]1CN(CCCCNCc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 62252778 WTGOKLFQRMGRQG-IRXDYDNUSA-N 357.502 2.461 0 40 FEAB COC[C@@H](C)Nc1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 48314304 VUCDILRSEVXPGY-SNVBAGLBSA-N 351.790 2.119 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 12848121 IWSCFFFZFYMNJV-AWEZNQCLSA-N 355.390 2.387 0 40 FEAB C[C@H](O)CN1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411595 MCOWWDKSJDALCK-AWEZNQCLSA-N 356.470 2.295 0 40 FEAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@@H]1c1cccs1 70017276 YTDIRDXLGUNACY-IAGOWNOFSA-N 363.527 2.208 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c(C(N)=O)c3)cnc12 12900705 IUNGDUCZYHYROW-UHFFFAOYSA-N 370.796 2.096 0 40 FEAB O=C(O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13092216 DTDVTHIQJRFDHD-QGZVFWFLSA-N 352.390 2.050 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1Cl 408617445 CXJAVJSONJRIQJ-GFCCVEGCSA-N 374.890 2.418 0 40 FEAB CNc1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 14021748 HSSLRKXUKUHAKS-MRVPVSSYSA-N 352.441 2.106 0 40 FEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)c1ccccc1 6416268 BOXDQEUGAKHPAS-CYBMUJFWSA-N 361.419 2.365 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3ccccc23)CC1 14159848 HTMVBCIPFVEGCR-UHFFFAOYSA-N 354.435 2.141 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2cccc(F)c2)cc1OC 28611311 GFVDIKVVHSYGHM-UHFFFAOYSA-N 361.369 2.245 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cc1OC 14235456 CXFZKQGIOXCCOF-CQSZACIVSA-N 356.422 2.447 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 6586384 TWZWSOLYILKIIM-JZKQVHKSSA-N 371.437 2.006 0 40 FEAB O=C(NC1CCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 67126430 VAMWDHZDDJFFPM-IAGOWNOFSA-N 353.422 2.319 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cc2ccccc2o1 7478956 YZAXIHCHIBAXKE-JEOXALJRSA-N 355.394 2.331 0 40 FEAB Cn1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 306123661 ATHBYGPGNSNRLD-KRWDZBQOSA-N 365.485 2.443 0 40 FEAB O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 8986824 XBPNCUSRCYEOJC-UHFFFAOYSA-N 357.435 2.069 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 7726736 OWIUSDJAHANMOU-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB O=C(c1ccnc(Cl)c1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005366 NZQGCPDJCFUPIY-AWEZNQCLSA-N 371.890 2.202 0 40 FEAB COC(=O)C1=CNC=C(C(=O)OC)C1c1ccccc1Br 19809058 NCNCCCBQZQJHJC-UHFFFAOYSA-N 352.184 2.250 0 40 FEAB C[C@@H](C(=O)NC[C@@](O)(Cc1ccccc1)c1ccccc1)n1cncn1 72304404 ZGAQSHMWIMRSLR-JXFKEZNVSA-N 350.422 2.086 0 40 FEAB CC(C)Cc1ccc(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 72306666 BOGMZDGYQWEDEV-OAQYLSRUSA-N 371.481 2.264 0 40 FEAB O=C(Nc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 84549736 BUXYPPXBXILMQV-INIZCTEOSA-N 355.369 2.394 0 40 FEAB O=C(O)C[C@H](NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1 95463873 CPKBOIVBLGMUNF-LBPRGKRZSA-N 355.272 2.321 0 40 FEAB CCOc1ncccc1CNC(=O)C(=O)Nc1nc2ccsc2s1 78815025 VNHDJYSOYOVAFP-UHFFFAOYSA-N 362.436 2.406 0 40 FEAB Cc1cc(C)c2[nH]c(=O)c(C3N4CC5(C)CN3CC(C)(C4)C5O)cc2c1 79190022 USUSAIMODWFFBO-UHFFFAOYSA-N 353.466 2.162 0 40 FEAB biogenic CC(C)CN(C)c1ccc(C(=O)NCC2CCS(=O)(=O)CC2)cc1 89821201 ZFWYXINSMFZGSK-UHFFFAOYSA-N 352.500 2.333 0 40 FEAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)ccc1Cl 409057502 PJOVPFWVSQVINQ-KYZVSKTDSA-N 361.781 2.350 0 40 FEAB CCN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)OC)C1=O 408531040 LNXXHAYNRKMKPN-XYOKQWHBSA-N 351.380 2.303 0 40 FEAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccc(=O)[nH]c1)C2 56907355 HATSDLXQRXRTFS-UHFFFAOYSA-N 351.410 2.273 0 40 FEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1 408590734 KRZYVCQVZBUJHO-UHFFFAOYSA-N 362.455 2.434 0 40 FEAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72379189 ZTYGDSNRZIXUAH-OAHLLOKOSA-N 363.487 2.334 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217662117 SPEIZRGCNCFVQA-NWDGAFQWSA-N 358.460 2.299 0 40 FEAB COCc1cc(=O)n(Cc2ncc(C)c(OC)c2C)c(N2CCCC2)n1 65307461 RJACTZZAVQNVQK-UHFFFAOYSA-N 358.442 2.059 0 40 FEAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218456831 DULAXBPYVIQRRT-WSTZPKSXSA-N 373.474 2.449 0 40 FEAB N[C@@H]1CCC[C@@H]2CN(Cc3nc(O)c4cnn(-c5ccccc5)c4n3)C[C@@H]21 566244465 XENKQMXUCZITPQ-XOKHGSTOSA-N 364.453 2.080 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 72347542 YZMPROWQYRYQFF-HXUWFJFHSA-N 368.437 2.398 0 40 FEAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCO 223049566 PRBZVDAKKXHARL-LJQANCHMSA-N 354.450 2.145 0 40 FEAB CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@@H](c2ccccc2)C1 329018609 LBWACHHFNGJSAC-RTBURBONSA-N 363.461 2.423 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224750783 MFEKZXBPHJYOJM-UHFFFAOYSA-N 364.442 2.246 0 40 FEAB COc1cccc(N2C[C@@]3(CCN(c4cc(OC)ncn4)C3)CC2=O)c1 96238919 CSYOIBWMAVFZSX-IBGZPJMESA-N 354.410 2.127 0 40 FEAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O 96224037 CCKYMYLWMPVWFU-LBPRGKRZSA-N 361.423 2.018 0 40 FEAB CC(C)[C@]1(CO)CCCN(C(=O)Nc2nnc(C3CCOCC3)s2)C1 333680403 PIQVQMXTPUIAGB-QGZVFWFLSA-N 368.503 2.695 0 40 FEAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1ccccc1)C2 96251136 YJXQSRHQIUXZCP-WIYYLYMNSA-N 365.481 2.036 0 40 FEAB CNc1cccc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257285758 PIQXCGGPIDZKRR-QGZVFWFLSA-N 352.442 2.356 0 40 FEAB CN(C)c1cccc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257240057 HRWGUJSHHRHOCB-MRXNPFEDSA-N 353.488 2.183 0 40 FEAB CCn1cc(C(=O)N[C@H](C(=O)O)c2ccc(OC)c(Cl)c2)c(C)n1 630192149 VSWVZFGLOYFZRD-AWEZNQCLSA-N 351.790 2.429 0 40 FEAB Cc1ncc(CN2CCN(C(=O)NCc3cccc(C(=O)O)c3)CC2)s1 635525212 RWEZOBRIJMZQLF-UHFFFAOYSA-N 374.466 2.177 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC=C(c2cnn(C)c2)C1 639794755 SYSCVHSNTWPBLN-AWEZNQCLSA-N 368.437 2.308 0 40 FEAB Cc1cncc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 673993116 BAXHKTQSWCPAES-UHFFFAOYSA-N 355.413 2.446 0 40 FEAB Cc1ccc(=O)n(CC(=O)NCc2sc(-c3ccccc3F)nc2C)n1 90592936 QTUHWYOXXIMXFE-UHFFFAOYSA-N 372.425 2.439 0 40 FEAB COC(=O)C1CCC(C(=O)NCc2cc(OC)c(O)c(OC)c2)CC1 611408265 MYNIJGRJGJMQJS-UHFFFAOYSA-N 351.399 2.005 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2[nH]cnc2C)C3)n1 575403834 KTPQZNVGHHUBHN-HNNXBMFYSA-N 358.467 2.338 0 40 FEAB C[C@H]1c2ncc(CCOCc3ccccn3)n2CCN1Cc1cn[nH]c1 585097001 DJYZKVSLLLWTGB-HNNXBMFYSA-N 352.442 2.337 0 40 FEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1ccc2c(c1)OCO2 12141974 BTJCJIONOJCEDB-GFCCVEGCSA-N 354.362 2.071 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(C)=O)CC3)n2)cc1OC 12142682 ABMZXBMAWKAABA-UHFFFAOYSA-N 371.437 2.186 0 40 FEAB Cc1cccc(CC(=O)N2CCc3c(O)nc(-c4cnccn4)nc3C2)c1 12258195 PWIYRQJSDLHYDU-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1noc2ccccc12 12914378 XDIBWQDXQCYMQB-LBPRGKRZSA-N 373.434 2.237 0 40 FEAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 13849623 LDEAZBQYLHRQPO-UHFFFAOYSA-N 369.240 2.278 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)NCCn1nc(C)c(C)c1C 19566994 AEQASBFIHXTNGG-UHFFFAOYSA-N 351.472 2.412 0 40 FEAB CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930042 PSIDAJKZMLGVIQ-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB Cc1nnc2ccc(N3CC[C@@H](COc4ccc(C5CC5)nn4)C3)nn12 1888881882 CKSSFXOXESUZHV-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@@H]3C2)nc2ccccc21 1888890516 VUHUKXYYUZWYRR-ZIAGYGMSSA-N 365.412 2.316 0 40 FEAB CC(C)c1nccc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 1889091482 VYUDWPWKCLXUOT-UHFFFAOYSA-N 353.474 2.317 0 40 FEAB CC(=O)N1CC2(CCN(Cc3scnc3C)CC2)C[C@@H](O)C1(C)C 2037849952 UUWQBRZTVHYYAT-MRXNPFEDSA-N 351.516 2.425 0 40 FEAB COc1cc([C@@H]2C[C@](O)(C3(O)CCCCC3)ON2)cc(OC)c1OC 78546998 ZDVFVGCGQOMJDF-SCLBCKFNSA-N 353.415 2.062 0 40 FEAB c1cc2nncn2nc1N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523520 QRQPZIFMLYXDQB-UHFFFAOYSA-N 365.441 2.089 0 40 FEAB O=C(c1csnn1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542767 PWMOPDDBBLGION-SJLPKXTDSA-N 374.466 2.161 0 40 FEAB O=C(c1ncc(Cl)cn1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565551983 YHVCFVOCOUGBLB-UHFFFAOYSA-N 371.828 2.184 0 40 FEAB COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952284 VNALBDPGGNASFA-UHFFFAOYSA-N 353.378 2.117 0 40 FEAB CNC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 4496224 NLYFYUWULVLLJO-UHFFFAOYSA-N 366.464 2.219 0 40 FEAB CCOCCCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 4619365 XLMYPPILYZCWJX-NBVRZTHBSA-N 353.422 2.395 0 40 FEAB CCOc1ccc(CC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 10592660 UDKMJPKFEVIVFQ-UHFFFAOYSA-N 351.410 2.228 0 40 FEAB Cc1ccc(COc2cn(CC(=O)NC[C@@H]3CCCO3)c(C)cc2=O)cc1 12230665 SMOQPIVTESCPKV-SFHVURJKSA-N 370.449 2.339 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3ccccc3)n2)cc1 16954747 CSOLTJNENPBGQN-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB biogenic O=C(NCCN1CCCC1)[C@H]1C[C@@H]2CCN(CC3CCCCC3)C[C@@H]2O1 2055717974 QCAWXPLGMQTHGU-ZCNNSNEGSA-N 363.546 2.258 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccsc1)n1cccn1 575614427 SLPXQLYURRBPRO-CQSZACIVSA-N 360.464 2.028 0 40 FEAB CC(C)c1noc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298060330 VTOHDXNBXJQMJA-UHFFFAOYSA-N 353.430 2.096 0 40 FEAB COc1ccc(-c2csc3ncnc(N4CCN(CCO)CC4)c23)cc1 20319988 UDEDROSKQVBQSF-UHFFFAOYSA-N 370.478 2.481 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)cc1 103719589 XYZKMOKSVBXGHC-HNNXBMFYSA-N 356.403 2.480 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 46586039 KIJIXXRJYIREOA-UHFFFAOYSA-N 351.362 2.335 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccccc2F)C1=O 4788058 OCIPKTSJTFLSIZ-LJQANCHMSA-N 370.336 2.204 0 40 FEAB Cc1ccc([C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)c2ccccc2)cc1C 32904978 XWYLOJUXKXKBLA-MJGOQNOKSA-N 365.433 2.497 0 40 FEAB O=C(Cc1ccc(Br)cc1)N1CCN(c2ncccn2)CC1 6949299 MDXRQFRNZSDZEB-UHFFFAOYSA-N 361.243 2.130 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NCCc1ccc(F)cc1 32935929 CMEVFVRDCOKEKE-ZDUSSCGKSA-N 361.339 2.221 0 40 FEAB CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 10130211 XRCWADMRLREHST-MRVPVSSYSA-N 368.842 2.440 0 40 FEAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)C1=COCCO1 33000568 BRMIFSLCBSMIPK-UHFFFAOYSA-N 361.404 2.145 0 40 FEAB CN1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 97098449 OPQJIDHSSAMTDZ-QGZVFWFLSA-N 361.486 2.287 0 40 FEAB C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(N2CCOC2=O)cc1 103839206 PXHLPOIISGIWFH-LLLJDESDSA-N 370.405 2.343 0 40 FEAB CSc1nccn1-c1cccc(C(=O)NCCCCN2CCOCC2)c1 53450557 GBHMGJQZUVILAJ-UHFFFAOYSA-N 374.510 2.436 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)c1C 23190587 VIDGGHTYMADPJJ-MRXNPFEDSA-N 359.470 2.253 0 40 FEAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)O)CCCCC1 72276976 HYNFBRQZHSZLQG-IZZDOVSWSA-N 356.422 2.496 0 40 FEAB CCCCn1nc(C(=O)Nc2ccc(C(=O)NCC)cc2C)ccc1=O 55757349 XRTQIEUNXBRCFQ-UHFFFAOYSA-N 356.426 2.354 0 40 FEAB C[C@H](C(=O)OCCOc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102629485 GJUFUMATMXMCHO-RDBSUJKOSA-N 361.369 2.087 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 25501504 VOEKYBDELNBZOH-CYBMUJFWSA-N 374.418 2.233 0 40 FEAB C[C@H](Sc1cccc[n+]1[O-])C(=O)c1ccc(NS(C)(=O)=O)cc1 12526018 UXIHTCDQWBVVFI-NSHDSACASA-N 352.437 2.055 0 40 FEAB O=C(Cn1cc(Br)cn1)Nc1cccc(C(=O)NC2CC2)c1 47902586 QBJDIRDEAKVYGD-UHFFFAOYSA-N 363.215 2.177 0 40 FEAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58298830 YAMCZMNOHHBNLT-PKOBYXMFSA-N 355.486 2.483 0 40 FEAB C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccccc1Cl 22411207 XFSHCSVINPAOOM-JTQLQIEISA-N 374.871 2.027 0 40 FEAB CC(=O)N1CCCN(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)CC1 58367484 OGCIJAGFKUKRFM-CQSZACIVSA-N 374.510 2.070 0 40 FEAB Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c2nc3n(c2n1)CCCCC3 58417476 BKJUMSZATIINRY-CYBMUJFWSA-N 371.485 2.499 0 40 FEAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)OCCO2 48231515 TUPBDMTZANNCBQ-LBPRGKRZSA-N 361.419 2.352 0 40 FEAB COC(=O)C1=C2C(=O)Nc3ccccc3N2C(=O)N[C@@H]1c1ccccc1F 48252199 LXDQEVUHQLKZLN-OAHLLOKOSA-N 367.336 2.476 0 40 FEAB Cc1ccc(C)c(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 36624458 AFUYPLAQFHEPHR-UHFFFAOYSA-N 359.426 2.214 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1 45803705 JPTWKOQOWIUXQT-CQSZACIVSA-N 374.510 2.227 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccccc1F 12859141 ZWGLRNIQALZUCL-FQEVSTJZSA-N 367.380 2.051 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306144714 ZMUQFUKONPMWHJ-LBPRGKRZSA-N 361.373 2.081 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)[C@@H]1C 12983594 NMNHCVRDQOYUHX-NFAWXSAZSA-N 363.483 2.008 0 40 FEAB O=C(c1ccn(COc2ccccc2Cl)n1)N1CCN2CCC[C@H]2C1 28234019 XEMWPNRHXLODQN-AWEZNQCLSA-N 360.845 2.493 0 40 FEAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 21816684 VREJVTVNZZXQEJ-FQEVSTJZSA-N 363.461 2.445 0 40 FEAB COc1ccc2c(C[C@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3C)c[nH]c2c1 13653999 MMKJVQDMNYBDJE-HKUYNNGSSA-N 372.446 2.455 0 40 FEAB CC(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 13686821 BPLBWGAOPFSXAX-CHWSQXEVSA-N 368.480 2.146 0 40 FEAB COCCCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060273 HVEYUNRPKGHGCF-UHFFFAOYSA-N 360.435 2.015 0 40 FEAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8767398 DONVMYMNPJBOQJ-UHFFFAOYSA-N 356.513 2.051 0 40 FEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1ccc(Br)cc1 14017267 LRHJSSAAALOEPN-UHFFFAOYSA-N 367.224 2.298 0 40 FEAB CCOc1ccc(CC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1OCC 6488429 MLMVQNUBITVCQT-OAHLLOKOSA-N 360.332 2.496 0 40 FEAB CN(CCOc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 14138834 RKOYIKCRIVZLBR-UHFFFAOYSA-N 374.462 2.160 0 40 FEAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1=COCCO1 14571227 OYGYSMMLRFZSSN-UHFFFAOYSA-N 363.801 2.203 0 40 FEAB CCc1ccc(-n2c(O)nc3nc(N4CCCCC4)ncc3c2=O)cc1 67264240 YWXBOYJOYNYWIF-UHFFFAOYSA-N 351.410 2.434 0 40 FEAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccccc1Br)C(=O)OC 7247122 XUPLZERMKLAFFQ-JOYOIKCWSA-N 364.261 2.315 0 40 FEAB Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 9184534 KSHQSZSYQKMTPA-ZDUSSCGKSA-N 365.480 2.491 0 40 FEAB C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1sccc1C(N)=O 7622730 WYWOIUBMBBKBQU-SSDOTTSWSA-N 354.334 2.309 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 7779339 DVSPVYNEMIXBEU-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 7817918 RTGCJHTUHAJWDF-PBHICJAKSA-N 369.421 2.145 0 40 FEAB CCOc1ccccc1N1CCN(c2nccc(N3CCOCC3)n2)CC1 84811022 GKNCJBKOTYPXGL-UHFFFAOYSA-N 369.469 2.039 0 40 FEAB COc1cc([C@H](C)NCCc2nc(C(C)C)no2)ccc1S(C)(=O)=O 89578929 HJEZHNYBRMLOEY-LBPRGKRZSA-N 367.471 2.498 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25250259 DNFLVRWVMLEZRF-INIZCTEOSA-N 366.377 2.226 0 40 FEAB O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 56997456 FQWWPXBSWFHGLU-UHFFFAOYSA-N 371.412 2.106 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(c3cnn(C)c3)CC2)c1 514649202 CSDZGRFMVJUIGN-UHFFFAOYSA-N 350.426 2.329 0 40 FEAB Cn1c(-c2ccccc2)nn(CCNC(=O)c2ccccc2Cl)c1=O 36708540 JMIPAGNFYTYXGS-UHFFFAOYSA-N 356.813 2.332 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1OCCn1cccn1 72392108 VOMLMCZJWOOEBI-UHFFFAOYSA-N 362.411 2.368 0 40 FEAB Cn1ncc2c(N3CCCC3)nc(NCc3ccc4c(c3)OCO4)nc21 36357894 UQEFPSXLVSRAFV-UHFFFAOYSA-N 352.398 2.304 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sn1 70638122 DHXPUGVYRZYYMI-ZDUSSCGKSA-N 369.454 2.282 0 40 FEAB COCC(=O)N1CCC[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 72349251 PLXLLYANHYEQNN-MRXNPFEDSA-N 353.422 2.200 0 40 FEAB Cc1nc(C)n(C2CN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)C2)n1 328776154 KWELQWAIIYVBJG-UHFFFAOYSA-N 365.441 2.060 0 40 FEAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1F 223742513 UDFXRBVPBBHKQD-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 40111020 XQJNQAXTUSBQIY-LJQANCHMSA-N 353.378 2.067 0 40 FEAB COc1cncc(O[C@@H]2CCN(C(=O)c3ccc(Br)o3)C2)n1 225393369 JMSAPJDKYMZXKL-SECBINFHSA-N 368.187 2.134 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCCSC2CCCC2)ccc1OC 224235362 RGGPWHFQBUEMLT-UHFFFAOYSA-N 372.512 2.009 0 40 FEAB CSc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(C)=O 224842538 VGGNVIJURCQGGK-UHFFFAOYSA-N 360.501 2.460 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96038474 NUTGMDCORZVNGM-UHFFFAOYSA-N 355.438 2.490 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 96227457 JQJPFNIZFXLFIT-XLIONFOSSA-N 356.470 2.404 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C[C@@H]1C(=O)O 96268487 KIQZCFZIQVLEMU-QGZVFWFLSA-N 369.421 2.096 0 40 FEAB Cc1ccc(CC(=O)N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)cc1 247859847 FKMVNMLOBAWETL-GOSISDBHSA-N 366.465 2.447 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1Cc1ccc2c(c1)OCCO2 257298803 RNIXTRJYUSFHNA-KRWDZBQOSA-N 355.438 2.390 0 40 FEAB CCc1nnsc1C(=O)N1CCC(c2cc(C)n3nccc3n2)CC1 257270643 MVBHYQWJCWHIST-UHFFFAOYSA-N 356.455 2.471 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)CCN)CC2)ncn1 257210348 BUFIWCPCRCCLIY-OAHLLOKOSA-N 357.458 2.268 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccc(COC)cc2)n1 257342039 ZMVBETFFMURSQY-MRXNPFEDSA-N 356.426 2.187 0 40 FEAB Cc1cn2c(n1)[C@H](CN[C@@H]1CCCc3ccc(S(N)(=O)=O)cc31)CCC2 685648295 LBRCDRGVXQTUQY-MAUKXSAKSA-N 374.510 2.384 0 40 FEAB C[C@H]1Oc2c(cccc2C(=O)N2CCc3c(cccc3C(=O)O)C2)NC1=O 621578195 COPOSYQAXUPJOV-LLVKDONJSA-N 366.373 2.303 0 40 FEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(=O)O)ccc1F 677995154 FVMHOKXUMHKBLG-UHFFFAOYSA-N 355.391 2.183 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403607 JCTFVECVDFBRQO-GOSISDBHSA-N 354.406 2.378 0 40 FEAB COCCn1nc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n(C2CC2)c1=O 77151039 UEKSFKBXURTART-HOTGVXAUSA-N 374.485 2.088 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)CCc2cc(O)no2)[C@H]1Cc1ccccc1 1615146564 WGWMKBOPCWZENX-ROUUACIJSA-N 371.437 2.051 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C 1662481706 ORAVAPNWXLZWIK-UHFFFAOYSA-N 352.500 2.464 0 40 FEAB CC(C)c1noc(CN2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1775973395 IANXLJVRKQKCFF-UHFFFAOYSA-N 365.441 2.367 0 40 FEAB C1CCN(c2nc(N3CCOCC3)c3[nH]c(N4CCCCC4)nc3n2)CC1 5479642 BXFLECOKAJZECH-UHFFFAOYSA-N 371.489 2.170 0 40 FEAB CCNC(=O)OCCN(CCOC(=O)NCC)CCc1ccccc1 5650412 KCWZDZLDUMURQB-UHFFFAOYSA-N 351.447 2.023 0 40 FEAB Cn1cccc1[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)N1CCCC1 11846856 HGAKLUPXHZKHSS-MRXNPFEDSA-N 369.437 2.419 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)c1 12117505 CMIXNOKCWJLFAA-UHFFFAOYSA-N 370.409 2.435 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cscn4)C3)cc2n1 12134591 LLMUPRHHWYAVET-NSHDSACASA-N 357.439 2.474 0 40 FEAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 12602251 CVKVIGHCPLGABW-HRCADAONSA-N 371.572 2.079 0 40 FEAB biogenic,in-vitro CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1 13636651 FWNXQMOUUFLIQH-QGZVFWFLSA-N 358.438 2.210 0 40 FEAB COC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 13688842 UIGMYTQNFOYURO-GASCZTMLSA-N 370.405 2.061 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4ccccc4)C3)ncc2C1 19018741 AIKLLXYVGRFHKZ-INIZCTEOSA-N 350.422 2.011 0 40 FEAB CNc1nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)nc2c1CCNC2 19711562 CGXLQRMWTFZVDW-AWEZNQCLSA-N 355.486 2.226 0 40 FEAB Cc1cnc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 547974535 GAWYLXLVXKLOFF-UHFFFAOYSA-N 357.385 2.223 0 40 FEAB CNC(=O)[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2O1 7253786 QTYOYSSOULXCBC-INIZCTEOSA-N 350.378 2.250 0 40 FEAB Cc1nc(C(F)F)cc(N2CCN(c3ncnc4ncccc34)CC2)n1 1888869472 ZFOSYIAAYDGKCA-UHFFFAOYSA-N 357.368 2.387 0 40 FEAB O=C(c1cnccn1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888899337 WPEKANUFBWNSJK-IRXDYDNUSA-N 372.432 2.142 0 40 FEAB Cc1cnc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)nc1 1888930630 SMVRXBHUBYXKSD-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB COC[C@@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 24013615 ZZNXPFDTRMVQRY-GFCCVEGCSA-N 362.499 2.459 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cnccn3)CC2)CN1c1ccc(F)cc1 2037839944 GFWMOJOQOCZIDN-HXUWFJFHSA-N 370.428 2.404 0 40 FEAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 4855227 VBCMYFIVZPMVTB-UHFFFAOYSA-N 357.414 2.453 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)cc1 11693716 AVUMDFZNQLOTSI-UHFFFAOYSA-N 355.438 2.449 0 40 FEAB O=C(NCC(=O)N1CC(c2nc(-c3cccs3)no2)C1)c1ccccc1 49483898 ZDAALQSHUJNMBF-UHFFFAOYSA-N 368.418 2.154 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O 10457859 AEXWYQIEYUFKAX-INIZCTEOSA-N 367.449 2.223 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 20101582 FHRPTRWJSZIKFE-HNNXBMFYSA-N 368.412 2.115 0 40 FEAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccco2)CC1 32097236 BDGJTMNNFDMQOH-QGZVFWFLSA-N 353.378 2.345 0 40 FEAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Br 101626045 KAGUJKLJYYBMKS-SRVKXCTJSA-N 374.242 2.367 0 40 FEAB CCOc1ccc(CN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102328774 FSRPJVYSPBIEHC-IYBDPMFKSA-N 358.438 2.434 0 40 FEAB Cc1ccc2nc(CSc3nnc(C(F)(F)F)n3C)cc(=O)n2c1 7197863 DQHIPAOFRWTAJE-UHFFFAOYSA-N 355.345 2.443 0 40 FEAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 7978446 XFLLLZUBVFTAPY-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 8560557 CFOSCMHEELOTLV-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB Cc1ccccc1OCC(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 8605413 VTLVYQXMFARIGF-UHFFFAOYSA-N 371.418 2.459 0 40 FEAB CCOC(=O)/C=C1\CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1O 106047741 QHPMGOKMOQDGLM-OYJBRMIKSA-N 361.413 2.402 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)COc1ccc(Cl)c2cccnc12 58167187 FSLSRORKQZOXJK-UHFFFAOYSA-N 361.829 2.348 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C[C@@H](C)O1 23749275 HKIZKHOPMAHOCB-HUUCEWRRSA-N 359.470 2.407 0 40 FEAB Cc1ccc([C@H](CN2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 23995299 DYEAHUOMMQJPKJ-IBGZPJMESA-N 364.453 2.456 0 40 FEAB CCC1(CC)NC(=O)N(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1=O 12550670 NQZRQQVRORXXIT-UHFFFAOYSA-N 369.429 2.116 0 40 FEAB COc1cc(OC)c(C(=O)OCC(=O)NCCc2ccccc2)cc1OC 3248250 DNZIEVQAGTUXLT-UHFFFAOYSA-N 373.405 2.228 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1 57119372 MDWFIAUKDUFKNE-UHFFFAOYSA-N 353.371 2.287 0 40 FEAB CCCc1nc(CS(=O)(=O)Cc2nc(-c3cccc(C)c3)no2)no1 58045683 ZDBCKZWZEBUMHN-UHFFFAOYSA-N 362.411 2.496 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 48236150 UZYXMKGQGMOCKY-UHFFFAOYSA-N 372.429 2.352 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3318317 BSHZEFNLROQDNS-UHFFFAOYSA-N 351.790 2.152 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1N 3365625 VHOGCSKVXROJGL-LLVKDONJSA-N 355.423 2.322 0 40 FEAB COc1ccccc1CN(C)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 20048646 NNGXODYTVQBBQH-UHFFFAOYSA-N 362.451 2.363 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 20016057 KGXNUXZGKKVMRN-LLVKDONJSA-N 370.833 2.462 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ncc(Cl)n2C)cc1Cl 58310750 GPYIXSZHETZNAX-UHFFFAOYSA-N 350.227 2.214 0 40 FEAB CC(=O)c1cccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)c1 2245964 DBZVOAYTODKVLM-SXGWCWSVSA-N 369.471 2.058 0 40 FEAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 12749478 QRQTURCGOPCPBX-SNVBAGLBSA-N 371.933 2.235 0 40 FEAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@@H](C)c3ccn(C)n3)c12 36619189 CDQYFZLEQCNDIJ-JTQLQIEISA-N 365.397 2.156 0 40 FEAB Cn1ccnc1COc1ccc(CNCCn2cnnc2C2CC2)cc1 72289955 OBMJLZNVQMXNKU-UHFFFAOYSA-N 352.442 2.258 0 40 FEAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 12983813 PXSNNMMYZVRNTG-LLVKDONJSA-N 359.879 2.124 0 40 FEAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 8314015 GPTOYNHJIMXKAC-INIZCTEOSA-N 368.462 2.233 0 40 FEAB COc1cc(Br)c(CC(=O)NC2=NCCS2)cc1OC 8342033 KJNIFFDNVKEIGL-UHFFFAOYSA-N 359.245 2.228 0 40 FEAB Cc1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)c(Br)c1 8328553 HKHWASDGIDMPAD-ZDUSSCGKSA-N 354.248 2.036 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 8389511 GZMLCEYBHJHVMK-UHFFFAOYSA-N 350.382 2.054 0 40 FEAB CCc1nnc2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn12 49544838 JIYCIGFESGSXLK-UHFFFAOYSA-N 357.395 2.146 0 40 FEAB CC1(C)COCCN1C(=O)c1cccc(C(=O)N2CCOCC2(C)C)c1 64812168 ZHAFPERIUZXAGS-UHFFFAOYSA-N 360.454 2.189 0 40 FEAB CC[C@@H](CO)NCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13717748 MXHNJSXLZKJPQS-HNNXBMFYSA-N 369.425 2.324 0 40 FEAB CCN1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 22578961 RYJFFYJXODRQAQ-AWEZNQCLSA-N 356.253 2.263 0 40 FEAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@H](C)O1 14188165 MOFJSWWEGUXQPD-GJZGRUSLSA-N 366.483 2.111 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14182814 SHQWRIWTVZKSOL-SGTLLEGYSA-N 365.389 2.110 0 40 FEAB NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F 14353629 DAHMDNHKCVZTBI-UHFFFAOYSA-N 356.806 2.155 0 40 FEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3ccncc3)cc2O1 6672958 ZFGJRVIMMYECLK-UHFFFAOYSA-N 356.378 2.226 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nn[nH]n2)cc1 5670572 REQOZUSKYVNTIY-OAHLLOKOSA-N 353.382 2.182 0 40 FEAB CCOC(=O)c1sc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)nc1C 14865928 ZTUAQXYBVGZPLU-UHFFFAOYSA-N 372.406 2.046 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1CCCc2ccccc21 5778691 RQPOWXDTHIWANH-MRXNPFEDSA-N 370.430 2.025 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccccc3)o1)CS2 5876086 RBIDYMWRLXVDRA-SJKOYZFVSA-N 359.407 2.234 0 40 FEAB COc1cc(OC)c(C(=O)NCc2ccc3c(c2)OCCO3)cc1OC 23481766 JVRMZFHXFCREFC-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB CC(=O)Nc1nc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)cs1 24163534 QADRGTPULKTJRG-UHFFFAOYSA-N 368.436 2.003 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]2CN2CCOCC2)cnn1-c1ccc(F)cc1 80916137 JHVHGKVOGPUEGT-SFHVURJKSA-N 372.444 2.257 0 40 FEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1nccs1 9218378 PUIDSFVXARITFB-CYBMUJFWSA-N 365.480 2.399 0 40 FEAB Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)ccc1F 96001779 IJYLHYLWKFAFJJ-OAHLLOKOSA-N 371.372 2.131 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)O)c2)c1 96968410 LHMYQYJGAODIJX-AWEZNQCLSA-N 362.451 2.215 0 40 FEAB CN1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 97618001 MCDCVHCXOJMKCW-QGZVFWFLSA-N 371.506 2.253 0 40 FEAB COc1ccc(CNC(=O)c2cc(OC)c3c(c2OC)OCO3)cc1O 78546319 KXBMETNABJRJED-UHFFFAOYSA-N 361.350 2.077 0 40 FEAB Cc1ccc(OS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 95941993 ASHWRVQOHAIRJS-UHFFFAOYSA-N 359.403 2.390 0 40 FEAB Cc1ccc(Nc2nc3nonc3nc2N2CCN(C)CC2)cc1Cl 75279873 BNPQMJXLSLVHNH-UHFFFAOYSA-N 359.821 2.470 0 40 FEAB CCOCCCC(=O)N1CCC[C@H](N(C)C(=O)CCCOCC)CC1 89986888 DSKOVBNKRKBLPA-KRWDZBQOSA-N 356.507 2.459 0 40 FEAB C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)Nc2cnn(C)c2)C1=O 556516231 FYAXHWFLYCADHM-WBMJQRKESA-N 359.405 2.433 0 40 FEAB Cn1c(C(=O)N2CCn3c(O)nnc3C2)cc2cc(C(F)(F)F)ccc21 547289649 FDSKCOPQSYQBNV-UHFFFAOYSA-N 365.315 2.150 0 40 FEAB Cc1c(OCC(=O)N2CCC[C@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3 2104998 WJGYFJYLRQXZCJ-HNNXBMFYSA-N 371.389 2.045 0 40 FEAB biogenic COC(=O)c1cn(Nc2nc3ccccc3nc2C)cc2c(O)nnc1-2 524735263 MMWIBWYJMDUMHX-UHFFFAOYSA-N 350.338 2.002 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(-c2nc[nH]n2)cc1 524735030 PABHKIGSVKCKMN-UHFFFAOYSA-N 366.429 2.438 0 40 FEAB Cc1c(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cnn1C 550471336 ISEQAPKGDJGXAH-UHFFFAOYSA-N 366.425 2.122 0 40 FEAB Fc1ccc(Cn2nnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1 35311198 WPDOQMMSXWPMFA-UHFFFAOYSA-N 370.407 2.322 0 40 FEAB CC(C)c1noc(CCC(=O)N2CCN([C@H](C)c3nccs3)CC2)n1 185751658 FBUCYIWYPFEDPB-CYBMUJFWSA-N 363.487 2.488 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(F)cc1F 220077405 ZKTXMSXQPYBBNC-UHFFFAOYSA-N 368.405 2.090 0 40 FEAB Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 223043402 NOWUSYVRQBMZKA-UHFFFAOYSA-N 360.479 2.494 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)cc1 96052072 MJUFYZKUQWDMKV-UYAOXDASSA-N 357.454 2.199 0 40 FEAB Cc1ccccc1[C@H](O)[C@](Cl)(I)S(C)(=O)=O 96520021 PJKNVAONEPAJCX-UWVGGRQHSA-N 374.627 2.401 0 40 FEAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCCO5)n4)n3c2)cn1 96038116 XFINNVVQDGVIIP-UHFFFAOYSA-N 362.393 2.303 0 40 FEAB O=C(N[C@H]1COCCC12CCN(Cc1cccnc1)CC2)c1ccco1 96214935 BCTSLJFQGARRLU-SFHVURJKSA-N 355.438 2.476 0 40 FEAB CCc1cnc(N2CC[C@@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)nc1 96145560 FIHJKFSKJOZLKV-IAGOWNOFSA-N 366.531 2.316 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)nc(C)n1 257227555 FPWYBXITPUPUQA-IBGZPJMESA-N 351.406 2.469 0 40 FEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccccc2)C3)n1 253479580 RFYCPELQYJZVGY-QGZVFWFLSA-N 353.422 2.167 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 250704302 VLHSMISNEYPXOI-WFASDCNBSA-N 364.829 2.247 0 40 FEAB CCN1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C(=O)O)CC1 256047200 LBIYZGIQHGLERL-UHFFFAOYSA-N 369.347 2.126 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC1=CCCCC1)O2 260853131 VIIKZNOXKASTQM-QGZVFWFLSA-N 364.467 2.139 0 40 FEAB CC(C)n1c([C@@H]2CCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)nc2ccccc21 262304440 ATBOLAZVFDKBDR-VYDXJSESSA-N 356.470 2.046 0 40 FEAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)c1 630196246 BDEPMQYOEVPKRN-OWCLPIDISA-N 354.410 2.252 0 40 FEAB CC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(=O)NCc1cccs1 648555569 PRTUPKXOXSGCOG-JDFRZJQESA-N 374.462 2.488 0 40 FEAB COc1c(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2C2CC2)oc2ccccc12 663227366 QNJUKHGUMQSLLB-KGLIPLIRSA-N 358.394 2.138 0 40 FEAB C[C@@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1-n1ccnn1 666220806 YPABAVRVVKDXNE-ZRGWGRIASA-N 352.442 2.429 0 40 FEAB C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 679424160 BDXPHAXMYYYESV-PVAVHDDUSA-N 368.499 2.029 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)N3CCN(c4ccccc4)C(=O)C3)c2n1 680915409 CWDOGHAAHWRXJU-UHFFFAOYSA-N 363.421 2.144 0 40 FEAB Cc1c(CNS(=O)(=O)N(C)C)sc2nc(-c3ccc(F)cc3)cn12 90593888 FQGBKDHJNTUNDF-UHFFFAOYSA-N 368.459 2.406 0 40 FEAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NCC2 607835196 IIPVRFBGMSHSPP-UHFFFAOYSA-N 364.380 2.479 0 40 FEAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(C)on3)CC2)cc1 96376123 XTKTUMXAWIKSLC-UHFFFAOYSA-N 364.423 2.070 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CO[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 585108465 MWBCTFBCUCKBQZ-MGPQQGTHSA-N 362.476 2.213 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccnc3ccccc13)[C@H](C)C2 585098268 STCKHDWBICFCOI-CYBMUJFWSA-N 351.410 2.060 0 40 FEAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cnc(C3CCNCC3)[nH]2)C1 685942549 ORYOCHRRRCDWTO-OAHLLOKOSA-N 356.474 2.113 0 40 FEAB CN(C)c1cc(CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)ccn1 48103507 LWEHROPLKYMROD-QGZVFWFLSA-N 358.486 2.335 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 104679545 WVOSGMMLLMNESX-FMKPAKJESA-N 350.484 2.174 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)n1 12228561 HOSZTZWPMKAAER-INIZCTEOSA-N 354.435 2.108 0 40 FEAB COc1ccccc1N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 16089020 PHHFWJOJKZAPFC-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCc3ncccc3C)C2)c1 19745652 VEVRUALFQYACAU-MRXNPFEDSA-N 353.422 2.177 0 40 FEAB Cn1cnc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)c1 19290796 SDWHRZCYWYAQOV-ZHALLVOQSA-N 374.510 2.109 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3nc4cnccc4s3)CC2)n1 1888906521 GHICGRROQXEEQW-UHFFFAOYSA-N 354.439 2.391 0 40 FEAB O=C(Cn1cnc2ccccc21)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888909729 ZZTRGLIHCVZIJP-KBPBESRZSA-N 353.451 2.088 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2c(F)cccc2Cl)CC1 27056275 IOGXMWLHSYPFNP-UHFFFAOYSA-N 362.854 2.413 0 40 FEAB CCCCN(C(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 4504492 MSYMCIFCWVVJFH-AWEZNQCLSA-N 355.456 2.133 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3F)n2)cc1 9660842 PSUGBGXZMOFUAU-UHFFFAOYSA-N 367.380 2.488 0 40 FEAB CCOc1ccc(CC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250901 RQDOCNPKOCLLIE-UHFFFAOYSA-N 369.425 2.060 0 40 FEAB Cc1ccsc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773126 ZQOQJEGSAFJQIZ-UHFFFAOYSA-N 372.494 2.411 0 40 FEAB C[C@@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)N1C[C@@H](C)O[C@H](C)C1 40087310 IUMSQJAGMWUOEM-RCCFBDPRSA-N 370.497 2.419 0 40 FEAB Cn1ccnc1[C@](O)(CCNC(=O)NCCc1ccccc1)C(F)(F)F 40121943 ZKYAJRVKPWEMNC-MRXNPFEDSA-N 370.375 2.102 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 30568983 GOGNHJRCNOBWNP-UHFFFAOYSA-N 370.456 2.338 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(Cc2ccccc2)no1 31647605 RBOFXJPJWVTZPF-UHFFFAOYSA-N 355.375 2.005 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CNC(=O)c1ccccc1F 102167920 ORDGUPMJGLJWMI-DVOMOZLQSA-N 364.417 2.040 0 40 FEAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccc(OC)cc3)n2)cc1 1224405 FPUMVVPCRGUBDV-UHFFFAOYSA-N 353.382 2.386 0 40 FEAB CC(=O)N1CCC(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 32781080 RSYMFDOJWUOMAB-IBGZPJMESA-N 355.438 2.078 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(N2CCCC2=O)c1 11916375 NMRUQUPENJEZEY-UHFFFAOYSA-N 362.389 2.162 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 8768279 LNMJUJIHHTZGEB-UCLAKFIYSA-N 361.486 2.428 0 40 FEAB COC(=O)c1ccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 8092308 MNXJDKYZYHNMHZ-UHFFFAOYSA-N 365.341 2.260 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)COc1ccccc1OC 8105513 MEJOCDFHUPGTTH-UHFFFAOYSA-N 358.394 2.089 0 40 FEAB Cc1cccc(CN2CCN(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)c1 102843289 HPBSPOJSBVHGDO-KDURUIRLSA-N 353.466 2.021 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1OC 10008822 VNGIULYLEDONQN-UHFFFAOYSA-N 368.842 2.187 0 40 FEAB Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 108530914 GCZKBJSZAQCUAL-WBVHZDCISA-N 352.429 2.326 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2cccc(F)c2)NC(=O)N3)cc1 12345762 NMJZHNSPJXNTLL-GOSISDBHSA-N 367.380 2.485 0 40 FEAB Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102139332 AVCUPLNPQLZSGA-GZXFCSGKSA-N 351.402 2.262 0 40 FEAB CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1ccc(O)c(OC)c1 1404449 XHRRTYBCUKFJNW-DLBZAZTESA-N 368.389 2.198 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 102077180 KWSQJVNQQZYNSX-CLJXZBEYSA-N 350.418 2.295 0 40 FEAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25776835 LZTAWYWEOFUVHS-UHFFFAOYSA-N 364.405 2.250 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCO[C@H](c2cccc(Br)c2)C1 58186075 FLILWWJGQMUPMB-NHYWBVRUSA-N 353.260 2.490 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 2109212 NDCKGNPLTQBZIY-JLTOFOAXSA-N 357.406 2.195 0 40 FEAB biogenic CCOCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2242039 LSSMTVQDGBGEAB-UHFFFAOYSA-N 359.455 2.293 0 40 FEAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 2231462 SHMUOWBKXVZUEP-MWLCHTKSSA-N 373.482 2.273 0 40 FEAB O=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1cccc(C(F)(F)F)c1 36353643 HXEYHIGQOBBJFG-UHFFFAOYSA-N 368.315 2.409 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)cc1OC 2420970 LKWZYXDFOFSWPC-KRWDZBQOSA-N 372.421 2.287 0 40 FEAB O=C(NCCCOC1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 11356070 RTYNGFBWMYGZFT-UHFFFAOYSA-N 373.453 2.208 0 40 FEAB CNC(=O)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 12747155 LVFFAKLKQWINPU-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 8752430 KQGWDRWLOGODND-OAHLLOKOSA-N 369.396 2.416 0 40 FEAB CCCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)n[nH]c1=O 12948919 JTNXPZJWLKJQOO-UHFFFAOYSA-N 365.846 2.325 0 40 FEAB Cc1ccc2c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)coc2c1 13132629 VVGXHPHCLBHZTR-UHFFFAOYSA-N 372.446 2.290 0 40 FEAB Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 4295979 WNULOJOYDDKSGK-UHFFFAOYSA-N 355.419 2.164 0 40 FEAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 8971185 XSJPIHQMWIFBAQ-RDTXWAMCSA-N 361.829 2.338 0 40 FEAB Cc1sc2ncnc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1C 14330866 SVGSLMVAWOFBEU-CQSZACIVSA-N 360.483 2.383 0 40 FEAB CN(C)CCNC(=O)COCC(=O)Nc1ccc(Oc2ccccc2)cc1 4699580 AJTIVRLIOKYMIO-UHFFFAOYSA-N 371.437 2.112 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1C 408617527 DBHMAUSJYBXLOP-UHFFFAOYSA-N 356.488 2.369 0 40 FEAB COc1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cn1 14728494 XWLOBTZCSKPOAX-UHFFFAOYSA-N 363.417 2.219 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccccc2O)C1=O)NCc1ccco1 409213342 SMLJDZWAKNXFCF-ZSOIEALJSA-N 358.375 2.338 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 66503921 SLMVUUMRHDNVBF-SSDOTTSWSA-N 351.211 2.262 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1ccc2c(c1)OCO2 408729512 BXYGTTOVDPAOEY-OAHLLOKOSA-N 360.391 2.239 0 40 FEAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 9885292 WNMKJFXCAILBIR-HRAATJIYSA-N 366.417 2.128 0 40 FEAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)cc1 7580872 VXNCWJPAQWVFIW-UHFFFAOYSA-N 370.405 2.470 0 40 FEAB CCOc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCC1 408697661 KQKALQKPQFAOLN-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 7736840 VEUPKHQBGJBABI-ADLMAVQZSA-N 374.466 2.393 0 40 FEAB CCOC(=O)c1ccoc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 8324099 AOHKVCLTKBVRJM-HXUWFJFHSA-N 368.389 2.436 0 40 FEAB CSc1nnc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)s1 19822817 WQCCRRAMHQNFIZ-UHFFFAOYSA-N 363.873 2.326 0 40 FEAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 67898613 LUBKSPQCBSBRLB-IBGZPJMESA-N 354.454 2.461 0 40 FEAB biogenic,in-vitro CS(=O)(=O)N1C[C@@]2(CCN(Cc3cccc(F)c3)C2)c2ncccc21 306132553 LLYRZCWYRMSLCS-SFHVURJKSA-N 361.442 2.144 0 40 FEAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 306134995 OEAYQDPWOIWVGO-FXAWDEMLSA-N 357.454 2.120 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217526289 BFTSIOPTFTZDCP-GXTWGEPZSA-N 370.471 2.443 0 40 FEAB N[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218637208 GJRVVXVSWMWEFA-OWCLPIDISA-N 355.818 2.109 0 40 FEAB CC[C@H](C(=O)N[C@H](C)COC)N(c1ccc(Cl)cc1)S(C)(=O)=O 37021586 FWSPZOUSFYAREK-BXUZGUMPSA-N 362.879 2.036 0 40 FEAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)C1 72389688 NKZICCAQJVFJCP-INIZCTEOSA-N 363.421 2.001 0 40 FEAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O 40478595 SGELURGDJHCHPI-UHFFFAOYSA-N 351.406 2.458 0 40 FEAB CN(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccccc1 46454049 YKXDNNGBMQTZKW-UHFFFAOYSA-N 356.513 2.099 0 40 FEAB O=C(CCC(=O)N1CC(c2nc(-c3cnccn3)no2)C1)c1ccccc1 49484968 WWLBKSVQQIEOHQ-UHFFFAOYSA-N 363.377 2.116 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224161469 VYGKQXNKCZVEOQ-NEPJUHHUSA-N 360.426 2.378 0 40 FEAB CN(C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1)c1ccccc1 225943992 AXEIRSPBUZVTRX-INIZCTEOSA-N 350.415 2.469 0 40 FEAB COc1cc(N2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)ncn1 96040002 WWCUGJLKNOYOIO-VQIMIIECSA-N 356.426 2.335 0 40 FEAB COC[C@H]1CCC2(CCN(Cc3cccs3)CC2)N1S(C)(=O)=O 96209075 NGYIWJTYTAASHN-CQSZACIVSA-N 358.529 2.153 0 40 FEAB Cn1nc(CC(=O)Nc2cc(C3CCCCC3)[nH]n2)c2ccccc2c1=O 330227594 PIKGLDZGWIKORG-UHFFFAOYSA-N 365.437 2.886 0 40 FEAB O=C(c1cnc2ccccc2c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96206384 SEAAZADTJYQSLN-AZUAARDMSA-N 351.450 2.418 0 40 FEAB Cc1ccc(CN2CC[C@H]3OC[C@@H](C(=O)N4CCCO4)C[C@H]3C2)s1 96111209 VMIWFRXMUCNLQG-YQQAZPJKSA-N 350.484 2.447 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 248114538 ZPJJSGJOVQRLAB-KRWDZBQOSA-N 368.433 2.465 0 40 FEAB COc1cccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1 243163810 JQXDREXZZXLDDA-UHFFFAOYSA-N 353.422 2.259 0 40 FEAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ncccc2F)cn1 253601377 QUMIKZIMYJVDQX-CQSZACIVSA-N 372.400 2.019 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 257303316 SGSDJTMSRJRSKE-SFHVURJKSA-N 359.451 2.244 0 40 FEAB CN(C(=O)C1CCCCC1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565523141 ZMEVSAMVQSSRPM-UHFFFAOYSA-N 354.458 2.229 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615119565 HZGCCHAUZXMJEM-UHFFFAOYSA-N 372.444 2.266 0 40 FEAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NC3CC3)s2)c1 12470800 AXMINRQXOFGBHV-UHFFFAOYSA-N 364.452 2.170 0 40 FEAB CC[C@H](C(=O)NCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 13715392 ZJAOYTPDVUZOIL-OAHLLOKOSA-N 354.403 2.280 0 40 FEAB O=C(NCCN1CCCC1=O)c1cc(-c2cccnc2)c2cnccc2n1 19340426 CCPXDNLIQQJTPS-UHFFFAOYSA-N 361.405 2.044 0 40 FEAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)[C@H]2C1 19446600 UCICBMJAMIWITP-ZBFHGGJFSA-N 368.474 2.483 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 4307946 UWBDHJNEVMSAGG-GOSISDBHSA-N 361.398 2.101 0 40 FEAB CCc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6149595 OCBZXXKOWXVEKH-ZDUSSCGKSA-N 372.421 2.228 0 40 FEAB Cc1nc(CN2CCC(COc3ccc4nc(C)c(C)n4n3)CC2)no1 1888875807 ZZNHQMVUTRYMKI-UHFFFAOYSA-N 356.430 2.329 0 40 FEAB O=C([C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCOCC1 1889131815 PFJDSGSMIXZIAJ-OAHLLOKOSA-N 359.253 2.053 0 40 FEAB O=C(NC[C@@H]1CCCO1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009124 VRRREEZOXIMUKT-LBPRGKRZSA-N 374.363 2.227 0 40 FEAB Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CCO3)C2)c1 1142639984 HPZLCFKPCQAISX-XODKDNOYSA-N 356.466 2.085 0 40 FEAB Cc1csc2c(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)ncnc12 2087143997 XHJKVDWHCGTORC-UHFFFAOYSA-N 366.512 2.393 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCc4ccccc43)cc3c2N1CC3 5153536 YIGJVQFOSMZNHQ-UHFFFAOYSA-N 354.431 2.273 0 40 FEAB CCN(CC)C(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107464 ZBQWZFPBYZAGCU-UHFFFAOYSA-N 366.418 2.099 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(F)c(F)c1 10251178 NOVBVRASFGLBDR-UHFFFAOYSA-N 367.315 2.244 0 40 FEAB C[C@@H]1CN(Cc2cn[nH]c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055731747 RCRYAZBTEZTASY-LSBZLQRGSA-N 355.442 2.203 0 40 FEAB CN(C(=O)c1cnn(C)c1)C1CN(Cc2noc3ccc(Cl)cc23)C1 1775973751 SNBDRJUBXMRTDB-UHFFFAOYSA-N 359.817 2.171 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 40074551 ABUGDOWNZGARMN-GJZGRUSLSA-N 369.508 2.217 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C1 40073630 YSEPSDVGHVWAJI-CABCVRRESA-N 351.516 2.362 0 40 FEAB COc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)=O)cc3)CC2)n1 40158486 YAPQZLVULSDDKG-UHFFFAOYSA-N 355.398 2.042 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NC2CCCC2)cc1 31024292 CJKDRFFDLSFYBV-UHFFFAOYSA-N 353.488 2.256 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 100813958 URKJSKVDJFPMFH-KODHJQJWSA-N 350.418 2.311 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c(OC)c1 32100989 KACDEALTAKKAHI-INIZCTEOSA-N 353.382 2.113 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)no1 2616422 VIGSCXNHJPSUFG-INIZCTEOSA-N 362.773 2.042 0 40 FEAB CCOC(=O)[C@@]1(Br)CC[C@]1(Br)C(=O)OCC 1688323 XVDQRPZYIPSGDX-UWVGGRQHSA-N 358.026 2.174 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCSc2ccccc2)cc1 2063561 PUODBHNSIZAAAP-UHFFFAOYSA-N 364.492 2.459 0 40 FEAB CCn1ncc(CN(C)C(=O)c2c(Br)cnn2CC)c1C 2777998 AASCVSJFAWBHHQ-UHFFFAOYSA-N 354.252 2.463 0 40 FEAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C(C)C 4370467 KKGVZCGPHUTRST-UHFFFAOYSA-N 369.400 2.226 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1C 4619705 AGIRRZZOODJSLQ-NEPXVJNWSA-N 354.450 2.475 0 40 FEAB COc1cccc([C@H](CNc2nn3c(=O)cc(C)nc3s2)N(C)C)c1 32905149 VZZXPFUSVOTQMD-AWEZNQCLSA-N 359.455 2.183 0 40 FEAB CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 4996144 SMXVLAHZMFLCJV-UHFFFAOYSA-N 358.769 2.261 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 6817835 JVEINGHALQNWKD-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC 32904719 HVXVKBCNNGVQRT-GFCCVEGCSA-N 360.435 2.195 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1 8943178 QTJPZYPTBMCGAH-UHFFFAOYSA-N 372.368 2.490 0 40 FEAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 21335075 QJDCQTWNBAXRQA-OAHLLOKOSA-N 359.513 2.398 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccnc2-n2cccn2)cc1 23171361 RINOTQSDDIKQFW-UHFFFAOYSA-N 356.407 2.064 0 40 FEAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C(C)(C)C)cc1 23200317 DCUJYXVYTMZPHW-GOSISDBHSA-N 357.454 2.348 0 40 FEAB Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 3045305 BLKKZJKSDUCBBA-UHFFFAOYSA-N 368.370 2.469 0 40 FEAB COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)c(OC)c1)CC2=O 20800649 YBPFDMJBZYOODP-NSHDSACASA-N 357.362 2.091 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3O)CC2)cc1 12534883 PWHBNYFMNVOXMP-GOSISDBHSA-N 370.449 2.157 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(C(C)=O)cc2OC)c1 24353200 UCLRMOUSZDNMFG-UHFFFAOYSA-N 364.375 2.452 0 40 FEAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4ccccc4)C3=O)nnc2n1 101993459 VZXSLPDIODDRAZ-ZDUSSCGKSA-N 353.407 2.165 0 40 FEAB COCCn1c(SCC(=O)NCCC(C)C)nc2ccsc2c1=O 57425723 SXJULIAFVUPRKL-UHFFFAOYSA-N 369.512 2.359 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 24095469 JGXCYJCEEBJRSK-ZXKDFDGMSA-N 371.433 2.419 0 40 FEAB CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1cccc(C)c1 57996888 ZKMFAMVMKSAGBP-SFHVURJKSA-N 350.422 2.468 0 40 FEAB COc1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc(OC)c1 58243997 WWLCRENCFBSHPW-INIZCTEOSA-N 356.378 2.282 0 40 FEAB Cc1ccccc1-n1nnnc1SCc1cc(=O)n2ccsc2n1 3330158 AVLLZEDGRZHCTI-UHFFFAOYSA-N 356.436 2.332 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)ccn1 77718095 XOCSUANUWZHCAA-QGZVFWFLSA-N 354.410 2.389 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2)c1 11153039 ADSOYYMMIMQQRZ-UHFFFAOYSA-N 363.421 2.034 0 40 FEAB Cc1ccnc2nc(C(=O)OCc3nc(-c4ccc(Cl)cc4)no3)nn12 12870690 UOOMKLLQPOZCPH-UHFFFAOYSA-N 370.756 2.493 0 40 FEAB CCOCCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl 12882469 QUUVDWFZXIETOF-UHFFFAOYSA-N 362.879 2.183 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1COc2ccccc2O1 12982711 UQTWVUGGRWXLCW-HNNXBMFYSA-N 365.389 2.451 0 40 FEAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1 13021499 MVZYSKVYFYMPJB-QMMMGPOBSA-N 366.420 2.295 0 40 FEAB Cc1ccc(S(=O)(=O)C2(C(=O)OCc3nc(C)no3)CCC2)cc1 64218188 SENKKEXZAQDVAC-UHFFFAOYSA-N 350.396 2.126 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 19311730 CVIJGMSWJKMQMI-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6339709 DPGMAIKEYZZTTB-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB COCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)n[nH]c1=O 14125397 CRHMVHKCYCMYPP-GFCCVEGCSA-N 350.444 2.036 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 14120619 XSBKDAPFWRZTIO-IBGZPJMESA-N 371.368 2.240 0 40 FEAB CC(C)[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC(N)=O 6549686 DPQPSUUVOONONH-CYBMUJFWSA-N 359.455 2.456 0 40 FEAB CC(C)n1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 306123043 ADHFAQMWGQUJPX-CQSZACIVSA-N 356.474 2.058 0 40 FEAB Cc1c(O[C@@H](C)C(=O)NCCCO)ccc2c3c(c(=O)oc12)CCCC3 6814103 JOXXSYRCYVIMOH-ZDUSSCGKSA-N 359.422 2.246 0 40 FEAB CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nc(C3CC3)ncc2C1=O 306126342 DTAUIYKNDLBZDY-UHFFFAOYSA-N 366.421 2.207 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)c1 15520329 NWKCLXHSAFLVND-GFCCVEGCSA-N 353.382 2.171 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)nc12 7472660 QCEZYZKXDMVYAU-QGZVFWFLSA-N 358.423 2.264 0 40 FEAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(C(N)=O)cc1 7577596 TWPZXFBTTXOYJV-QMMMGPOBSA-N 363.468 2.331 0 40 FEAB C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 7982321 RPOWOUAGFTZBOP-LBPRGKRZSA-N 352.843 2.496 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 9479515 QLRLWMAUBMUGOW-HXUWFJFHSA-N 367.405 2.151 0 40 FEAB COc1ccc(OC[C@H](O)CN(C)C(=O)[C@@H](C)Oc2ccccc2)cc1 9851472 QVYICAWZKWVOKO-HZPDHXFCSA-N 359.422 2.361 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(c2ncc(Cl)cc2F)CC1 79295169 LUOXJSXFUQIAOW-ZDUSSCGKSA-N 354.857 2.397 0 40 FEAB Cc1cccc(C(C)C)c1NC(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 95942376 UJVFWIMHTNHPHX-AWEZNQCLSA-N 354.472 2.132 0 40 FEAB O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N[C@@H]1CCOc2ccccc21 89857588 CKWMFFMTNNVNMY-QGZVFWFLSA-N 362.389 2.451 0 40 FEAB CCOCCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408680215 PWEMLZFAZAKPLA-UHFFFAOYSA-N 356.488 2.084 0 40 FEAB C/C(NCCCN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20266471 QREITNHONUAOQF-BMRADRMJSA-N 370.453 2.009 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1C 408610115 UXOVFPKEBZSXAL-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB COc1cccc(OC)c1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 33897856 VPTAIIGXYXYTGG-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 38756265 WBRBSZFXPHQGFO-ZDUSSCGKSA-N 371.528 2.256 0 40 FEAB COc1ccc(NC(=O)C2CCN(c3cc(C)nc4ncnn34)CC2)cc1 35312259 HZWFYXQJBPOCNM-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB NCC1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218389007 QIZZQDQJMCKMSM-CVEARBPZSA-N 350.871 2.184 0 40 FEAB CCOc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 224267178 OQFBBGPKZANYIL-UHFFFAOYSA-N 356.430 2.271 0 40 FEAB CCCCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 222767042 OTYGKFWXRHFNAW-UHFFFAOYSA-N 356.488 2.185 0 40 FEAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cn2ccc3ccccc32)n[nH]1 225551794 MESHPBRXDDSDJB-KRWDZBQOSA-N 351.410 2.217 0 40 FEAB O=C(c1ncoc1C1CC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 329003465 WPXOJRDGOMGSMD-UHFFFAOYSA-N 351.410 2.386 0 40 FEAB C[C@](CC(N)=O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 230403033 WDVALBSODAWGFX-HXUWFJFHSA-N 368.389 2.244 0 40 FEAB COc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)cc1F 96245506 WDKVWJUIFYRWON-KBPBESRZSA-N 361.442 2.495 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96223009 JPTWRRGPARKDFH-BEFAXECRSA-N 356.401 2.492 0 40 FEAB COCCN(C)c1ccc2ccc(C(=O)NCCc3ccccn3)cn12 96146131 VTZWKAFQWNHSGR-UHFFFAOYSA-N 352.438 2.389 0 40 FEAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)on1 333176556 LOOOASKZPGGKAJ-VXGBXAGGSA-N 374.363 2.383 0 40 FEAB CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nc[nH]n1 95498541 CCDYBGJOSPVDLY-MRXNPFEDSA-N 359.449 2.361 0 40 FEAB CCOCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@@H]2C 96109684 VJTDQBSOICGBSG-CYBMUJFWSA-N 357.410 2.408 0 40 FEAB Cc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCCO4)COC[C@H]3C2)s1 96057307 QJBZPVOPOAKNNF-INMHGKMJSA-N 350.484 2.305 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3COCC2CC2)cc1 248045420 WORUTMMLFMHPAE-INIZCTEOSA-N 351.468 2.201 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@@H](Cc2ccncn2)C1 257211415 BYUGJXRKIMEQMX-KRWDZBQOSA-N 351.450 2.226 0 40 FEAB Cn1cc(CCNC(=O)[C@H]2CC[C@@H](Cn3cnnn3)CC2)c2ccccc21 604419762 YKWIJZGJOIHYGD-IYBDPMFKSA-N 366.469 2.330 0 40 FEAB O=C(CN1CCOCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257202831 ANPQQDLYSNWGAP-GOSISDBHSA-N 369.465 2.304 0 40 FEAB O=C(c1cncnc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257210424 BUNQFLGSFYEWMX-MJGOQNOKSA-N 357.385 2.458 0 40 FEAB Cc1ccc(CNS(=O)(=O)CCC(F)(F)F)c(N2CCCC2)n1 585081065 AADLOPKDSBGKHN-UHFFFAOYSA-N 351.394 2.362 0 40 FEAB COc1ccc(CN2C(=O)Cc3c(C)nc(C4CCNCC4)nc32)cc1 257283784 OZVGXQILQKLNND-UHFFFAOYSA-N 352.438 2.350 0 40 FEAB CC(C)(C)c1nc(C(=O)N[C@H]2CCCN(c3nccnc3O)C2)cs1 275692288 MOYNFGDLCOBPKH-NSHDSACASA-N 361.471 2.335 0 40 FEAB C[C@@H](Cc1cccc(O)c1)NC(=O)NCc1cccc(S(C)(=O)=O)c1 655139087 ISHPSKCUGLJTNQ-ZDUSSCGKSA-N 362.451 2.226 0 40 FEAB O=C(c1c[nH]c2ccccc12)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575403270 GQXAMEMWXYJKMV-CQSZACIVSA-N 364.405 2.411 0 40 FEAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585276034 IRILXKINPQOZRV-LJQANCHMSA-N 357.410 2.109 0 40 FEAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)NCC4CC4)nc3[C@H]2C)c1 585096465 OUIUPGGLXRQCDN-OAHLLOKOSA-N 366.465 2.477 0 40 FEAB Cn1cc(N2C[C@]3(CCCN(CCc4ccccc4)C3)C2=O)ccc1=O 585099463 LMBBVDVUXWUPSV-OAQYLSRUSA-N 351.450 2.057 0 40 FEAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1noc(C2CCC2)n1 685940229 RKUJZRDWVNKJDK-CQSZACIVSA-N 358.446 2.489 0 40 FEAB CO[C@]1(CNS(=O)(=O)c2ccccc2Br)CCSC1 96097699 KPUAODKDJVVASU-LBPRGKRZSA-N 366.302 2.250 0 40 FEAB O=C(c1ccco1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615117864 DCNPOLXTFNNGPS-UHFFFAOYSA-N 358.369 2.457 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc(=O)[nH]c2ccccc12 11461102 RDQWMXJZJIFHFA-UHFFFAOYSA-N 363.373 2.418 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)nn1C)c1ccc2c(c1)OCO2 12203690 IRIUECWPGMNQRF-INIZCTEOSA-N 356.426 2.059 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cnn(C)c3C)nn2c(O)c1C 12336976 TYIUBGXOTMKWAT-OAHLLOKOSA-N 354.414 2.071 0 40 FEAB COc1ccc(C(C)=O)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 12532867 RTZPJBJWAKYXSQ-GFCCVEGCSA-N 374.462 2.496 0 40 FEAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)OCCO2 13008475 LIRUDTJGUAAYMM-UHFFFAOYSA-N 369.464 2.357 0 40 FEAB CCOC(=O)N1C=CN(C(=O)OCC)C1c1nccn1C(=O)OCC 13207380 UOMUFQOPQMNYRM-UHFFFAOYSA-N 352.347 2.288 0 40 FEAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 16038389 VKJFSKWYIOSLST-NCXUSEDFSA-N 371.396 2.284 0 40 FEAB COc1ccc([C@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 19446995 ZZXKUPZNILVVBB-GOSISDBHSA-N 358.490 2.065 0 40 FEAB CCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(C)cc2)n1 19520235 HLHCSZCIZIVIAP-UHFFFAOYSA-N 358.446 2.066 0 40 FEAB COc1cccc2c1OC[C@@H](C(=O)Nc1ccc3c(c1)N(C)C(=O)CO3)C2 19590978 BNVGSTGSOMRCQE-ZDUSSCGKSA-N 368.389 2.240 0 40 FEAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)Cc2cccc(F)c2)n1 19709982 ZZJBGEBEFRZRHX-OAHLLOKOSA-N 371.460 2.326 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NC1CCCCC1 4329586 MWOUUHXMNYSGLM-UHFFFAOYSA-N 353.469 2.339 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)nc1 1888869561 WOWGLUUGDPAUSI-MRXNPFEDSA-N 372.473 2.163 0 40 FEAB Oc1cc(N2CCN(c3ncncc3F)CC2)c(-c2ccccc2)nn1 1888890283 KGKGNTAUQSUYPZ-UHFFFAOYSA-N 352.373 2.105 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@@]2(CCCCN(C(C)C)C2=O)C1 2037985464 KXOVEFLLJRXOCS-FQEVSTJZSA-N 360.454 2.327 0 40 FEAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCCOc1ccc(F)cc1 49028303 BYIIOGIRCHIQHY-UHFFFAOYSA-N 373.409 2.306 0 40 FEAB O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19292351 PEQAGKXRAIFZAN-QGZVFWFLSA-N 366.469 2.092 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 96025355 YGNDCTILDDOKCN-KRWDZBQOSA-N 373.430 2.162 0 40 FEAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2N(C)C)[nH]1 2332241957 VGHKMDKHEAPPAV-WZGPROSRSA-N 370.497 2.244 0 40 FEAB COc1c2c(cc3c1[C@H](CC(=O)c1nn(C)cc1C)N(C)CC3)OCO2 20611080 NZBFHWYDBZGVRH-ZDUSSCGKSA-N 357.410 2.268 0 40 FEAB biogenic CC1=NN(C(=O)c2ccccc2O)[C@@](O)(C(F)(F)OC(F)(F)F)C1 6395397 DFCQQMFPYPOUFC-NSHDSACASA-N 354.231 2.432 0 40 FEAB COc1cc(C(=O)O[C@@H]2CCOC2=O)ccc1OCc1c(C)noc1C 3418492 FSTVEWKEDSLUDQ-OAHLLOKOSA-N 361.350 2.351 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)c1F 97084074 MWZFGQKMPHTBCK-AWEZNQCLSA-N 366.414 2.380 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)c1cccnc1 12324862 NGRVWEOIINAQHP-IBGZPJMESA-N 360.417 2.134 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755383 ZEJIRIINQSRTIQ-SNVBAGLBSA-N 357.482 2.244 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 9048341 UBJCOSIUMDHRET-SNVBAGLBSA-N 359.860 2.312 0 40 FEAB CC(C)NC(=O)CN(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 53781771 WJHIXYLTKOPMFX-UHFFFAOYSA-N 361.515 2.499 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)c1 23347937 ROABAWNNPBKIQP-UHFFFAOYSA-N 371.422 2.063 0 40 FEAB C[C@H]1CN(CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 23584706 ZHDKMUXSZSGCKS-DOFAYWRZSA-N 363.502 2.280 0 40 FEAB Cc1nc(C2(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)CCCCC2)no1 29058968 CBXHUJIKMIRGFS-HNNXBMFYSA-N 355.394 2.435 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3ncc(-c4ccccc4)c3n2)CC1=O 100775590 IGWNEKHIYGHRRA-AWEZNQCLSA-N 352.394 2.064 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C)c1 100396264 SRQKXODYLGHJSE-MJJLTSLDSA-N 350.418 2.359 0 40 FEAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O)c1ccccc1 2195227 BVTDQQYWQZZBOX-HNNXBMFYSA-N 367.283 2.224 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 3383612 YYWVOQXYYHFUJN-UHFFFAOYSA-N 351.790 2.178 0 40 FEAB COc1ccc(CNC(=O)c2cn(C)c3ccccc3c2=O)cc1OC 22234327 GSBMPFAUSAEVEJ-UHFFFAOYSA-N 352.390 2.486 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)Nc3cnc(C(C)(C)C)nc3)cnc12 58393480 CWLGIZGNBMTDQA-UHFFFAOYSA-N 351.410 2.431 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccnc2O)CC1 12753399 GHHZVCVXSURAGB-UHFFFAOYSA-N 368.389 2.294 0 40 FEAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 12747069 GEDQBJJRRRDYNA-OAHLLOKOSA-N 366.414 2.047 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 12794785 KIKGWZRTLOVZNH-AWEZNQCLSA-N 366.356 2.081 0 40 FEAB O=C(O)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 45795957 SEXVNNOZIYCWRX-UHFFFAOYSA-N 364.405 2.141 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Cl)c(Cl)c1 12877344 OIVBAINHTASFRX-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 3636507 MTDHAZRDRLQDPB-MEBBXXQBSA-N 374.418 2.434 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Oc1ccc(N2CCCC2=O)cc1 19210749 ILJLNRNWRNPQHX-UHFFFAOYSA-N 363.373 2.129 0 40 FEAB CCc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)c(C)c1C(=O)OC 14183010 NQRFXZNWDHIINO-CYBMUJFWSA-N 364.442 2.476 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(C(F)(F)F)c1 6561491 MBBOOGURLVRMPL-UHFFFAOYSA-N 369.343 2.186 0 40 FEAB CCOc1ccc([C@@H](C)NC(=O)CCCNCN2CCC(=O)CC2)cc1 96009242 FUYYQRWGLJVNFO-MRXNPFEDSA-N 361.486 2.255 0 40 FEAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)N2CCOCC2)o1 4938126 KSHGKOJEDBDOSC-NSHDSACASA-N 367.402 2.300 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1 15544869 MGHGVUOQURMKSP-UHFFFAOYSA-N 372.450 2.363 0 40 FEAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(N2CCCC2=O)cc1 8076645 FVBNFGJBSQTTJD-UHFFFAOYSA-N 354.406 2.315 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2c(c1)COC2 69092952 AISPFDKKYZPTIS-OAHLLOKOSA-N 361.419 2.177 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 71802766 GIHMFVRBLIRJHS-MRXNPFEDSA-N 370.449 2.432 0 40 FEAB CSCC(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccc(C)n1 306135058 OGIYIICKIWXKRO-OAHLLOKOSA-N 350.484 2.277 0 40 FEAB COCCN1CC[C@@]2(CN(C3CCC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134267 NHGWILRXXQRKOW-XLIONFOSSA-N 360.502 2.281 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1)C1CC(F)(F)C1 306138758 SGMMYGMYDXABKJ-AWEZNQCLSA-N 364.396 2.270 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCn1cnc2ccccc21 79480184 KCBRYCKUMMBAEE-UHFFFAOYSA-N 367.457 2.180 0 40 FEAB Cc1cc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c(OC2CCC2)n1 560150353 ZZHWROGKPQNVHG-QAPCUYQASA-N 357.454 2.417 0 40 FEAB CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(-n2ccnn2)cc1 180953363 FPJLCXGUYAKRRX-UHFFFAOYSA-N 367.375 2.366 0 40 FEAB NCC1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218549359 RSMHNGGAKPYTCE-CVEARBPZSA-N 368.861 2.323 0 40 FEAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@H]1CCC(=O)N(C)C1=O 566143935 OIIUQAVQGAYIJJ-HNNXBMFYSA-N 370.384 2.465 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 223045559 IMPONUOFEWNYDB-UHFFFAOYSA-N 372.490 2.454 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225023385 UZUUMPLYDVCHAI-NSHDSACASA-N 368.484 2.481 0 40 FEAB Cc1ccccc1NC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224148507 XFIJOUWLWYERSX-UHFFFAOYSA-N 356.430 2.332 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c2ncccc2c1 573076348 NZLDKARLHAXRBJ-INIZCTEOSA-N 366.425 2.496 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)CC1 133996290 ANXADGWAGUAQLW-UHFFFAOYSA-N 354.410 2.366 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95480442 SLKGIOZANGTQDS-CQSZACIVSA-N 366.396 2.414 0 40 FEAB CN(Cc1ccccn1)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 96158702 QQQSPFLMZCIYJG-KRWDZBQOSA-N 357.433 2.271 0 40 FEAB CC(=O)N1CCc2ncn(C)c2[C@@H]1C(=O)Nc1ccc(OC(C)C)cc1 96147193 HUTDPTZBCAOMSM-GOSISDBHSA-N 356.426 2.292 0 40 FEAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)NCc1ccc(F)cc1 96024281 AGXJYKNOMWWNMP-UHFFFAOYSA-N 356.357 2.184 0 40 FEAB CCn1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(C(F)(F)F)n1 581922305 OYDGEWBVKOOYPV-UHFFFAOYSA-N 365.319 2.458 0 40 FEAB COC[C@@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCOCC3)c21 96198459 WFJOURQSDFDDLE-SFHVURJKSA-N 359.470 2.492 0 40 FEAB CN(Cc1ccncc1)[C@H]1COC2(CCN(Cc3nccn3C)CC2)C1 96158706 SGCRFYJPTNYIGJ-GOSISDBHSA-N 355.486 2.071 0 40 FEAB CCOc1cccc(C(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c1 96220737 QLBPECDPCKYFHG-USXIJHARSA-N 357.410 2.249 0 40 FEAB Cc1cc(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c(C)o1 96119238 IDFUQGCVAOANCF-UHFFFAOYSA-N 360.435 2.210 0 40 FEAB CN1CCN(C(=O)c2nc3c(s2)CCCN3Cc2ccccc2)CC1 96146835 PRRWIIXXKNEDGE-UHFFFAOYSA-N 356.495 2.484 0 40 FEAB O=C(C[C@H]1CCCO1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 247850303 GOYNPIHQCVYSLM-OKZBNKHCSA-N 369.465 2.490 0 40 FEAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccsc2)[C@@H](C(=O)O)C1 248135396 RNLDOUCUTGNKBY-JKSUJKDBSA-N 359.451 2.333 0 40 FEAB O=C(NC[C@]1(O)CCN(c2ccccn2)C1)c1ccc2c(c1)CCCC2 257252504 JVADRTRJMISGMD-OAQYLSRUSA-N 351.450 2.332 0 40 FEAB O=C(CCc1nc(O)c2ccccc2n1)N1CC[C@]2(O)CCCC[C@@H]2C1 604405798 VUVHAVKPOQXWRM-JLTOFOAXSA-N 355.438 2.422 0 40 FEAB biogenic O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1ccco1 96024224 AQODERVTVCONFE-UHFFFAOYSA-N 366.421 2.015 0 40 FEAB O=C1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1 617776064 FGLMKRYOUWOWAN-CQSZACIVSA-N 356.253 2.311 0 40 FEAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2cc[nH]c12 656857865 YRDOQJVUYSTVIX-KDOFPFPSSA-N 351.410 2.134 0 40 FEAB CC[C@@H](C)N(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575423598 OVOKLIFNJJSZOY-HIFRSBDPSA-N 369.483 2.174 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)n1 585111738 ADVMGDQFMSSWEV-GOSISDBHSA-N 368.485 2.339 0 40 FEAB CN(C)c1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)ccn1 56677221 JHEWSXLMQVBHON-UHFFFAOYSA-N 371.416 2.277 0 40 FEAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(Cl)sc1Cl 547874176 QIGSLJHKESFHMM-RQJHMYQMSA-N 374.267 2.213 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160672 SINWPEYBSZTGFZ-IBGZPJMESA-N 373.384 2.160 0 40 FEAB Cc1nccn1CCC(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12126488 FXWSZNLDJAYJDH-UHFFFAOYSA-N 366.425 2.433 0 40 FEAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2S(=O)(=O)N2CCCC2)cc1 12328774 OJRGDWGEMBDFRA-DAYGRLMNSA-N 366.483 2.268 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13693202 DEPYETLWETYUGL-OKILXGFUSA-N 355.438 2.226 0 40 FEAB CC(C)n1nccc1NC(=O)CSc1nnc(-c2cccnc2)n1C 15278203 YCXPLMBSGZKIMQ-UHFFFAOYSA-N 357.443 2.385 0 40 FEAB C[C@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1 19079230 KPBLDGFSGORDKO-CYBMUJFWSA-N 359.401 2.086 0 40 FEAB COc1ccccc1CN1CC[C@H](c2nn(CCN)c3ncccc23)C1 19570051 NFSBUKQWEMDNKW-INIZCTEOSA-N 351.454 2.388 0 40 FEAB O=C(Cc1ccccn1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19687649 CTHCZTCXYXRXAB-LJQANCHMSA-N 361.405 2.076 0 40 FEAB O=C(Nc1ccccc1N1CCC(O)CC1)[C@H]1COc2ccc(O)cc2O1 630787581 HXVPFKIRCNIJJM-LJQANCHMSA-N 370.405 2.132 0 40 FEAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cnc(C(=O)O)cn1 659223864 WJQIBEYCEFTZBY-BMIGLBTASA-N 361.785 2.430 0 40 FEAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1C 572737370 YVTRIJLVIGJRSE-RCBQFDQVSA-N 365.451 2.032 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C(C)C 1614940321 NEWAKNZVQXNYEV-AWEZNQCLSA-N 352.504 2.198 0 40 FEAB CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 4273086 DCYVSDITKJQDON-KRWDZBQOSA-N 363.483 2.082 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)NCCCN3CCCCC3)CC2=O)cc1 4373159 VJXWZQNCVSZGEQ-QGZVFWFLSA-N 358.486 2.276 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)ccc1F 8961562 NMVSLSBQEWEWBJ-UHFFFAOYSA-N 364.398 2.399 0 40 FEAB COc1ccc(N2C[C@H](CNC(=O)COc3ccccc3)CC2=O)cc1 8925391 OYHQZBCUHRAPHR-HNNXBMFYSA-N 354.406 2.243 0 40 FEAB CCCc1nnc(NC(=O)CSc2ccc(NC(=O)CC)nn2)s1 11739076 MORUJMYMVOBDNF-UHFFFAOYSA-N 366.472 2.360 0 40 FEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 13714622 FRQCMKWQDBZCBJ-UHFFFAOYSA-N 368.389 2.069 0 40 FEAB Cc1ncn(CC2CCN(C(=O)c3noc4c3CCCC4)CC2)c(=O)c1C 585631505 MKWIYRWQCQDALM-UHFFFAOYSA-N 370.453 2.279 0 40 FEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCC1(c2ccccc2)CC1 40034342 LMJHNYVOYBQJIX-UHFFFAOYSA-N 369.465 2.479 0 40 FEAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 40094282 PVEBGHYQSQGICJ-CYBMUJFWSA-N 364.398 2.064 0 40 FEAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40159529 RELHRQJPQOEKML-CQSZACIVSA-N 372.391 2.047 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NCCN2CCc3ccccc3C2)c1 31338708 GPPSBNQCIRHVLM-UHFFFAOYSA-N 365.477 2.208 0 40 FEAB COc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)c1 32069583 CEKMMBCQDWEFGE-CQSZACIVSA-N 366.425 2.296 0 40 FEAB O=C1c2ccccc2C(=O)N1CCN1CCO[C@@H](c2ccc(F)cc2)C1 29537638 HWHAFLISNBWSHL-GOSISDBHSA-N 354.381 2.495 0 40 FEAB Nc1nc(COC(=O)[C@H]2COCCO2)nc2sc3c(c12)CCCCC3 46311705 CTRRAZFQISNJGS-LLVKDONJSA-N 363.439 2.001 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2[nH]cnc2c1 32721165 WHPUBYWOAZZRJD-INIZCTEOSA-N 356.451 2.428 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 102488146 NYUNTTJDBRUQAI-HLLBOEOZSA-N 357.454 2.329 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 102609896 UXDJWMJAFYTNPD-XOUADPBQSA-N 357.797 2.252 0 40 FEAB COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO)ccc1O 6793336 OGFXBIXJCWAUCH-AFBRZQFHSA-N 360.406 2.020 0 40 FEAB biogenic,in-vitro CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560415 NAJNVXWXDRXUGY-CYBMUJFWSA-N 354.472 2.398 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3cscn3)CC2)cc1F 51307977 CUAPQPPOGYUVQX-UHFFFAOYSA-N 362.430 2.258 0 40 FEAB CCN(CCNC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1C 53311792 IKYMOKBCHQEFRG-UHFFFAOYSA-N 355.438 2.115 0 40 FEAB COCCn1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cn1 47003770 OAXHBGXYTMXXGS-HNNXBMFYSA-N 357.458 2.098 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 12406067 PFGNORIZRFDDLO-UHFFFAOYSA-N 368.389 2.198 0 40 FEAB Cc1cccc(N2CCN(CCNC(=O)[C@@H](C)OCC(F)(F)F)CC2)c1 43034587 FEMLMMCSPBCDIY-OAHLLOKOSA-N 373.419 2.201 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12538687 BCUKBTQVZIJTGQ-SWLSCSKDSA-N 369.387 2.126 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc2ccccn2c1=O 25603542 NOVAGPMFBUXZRW-CQSZACIVSA-N 374.404 2.108 0 40 FEAB O=C(Cn1cccc(-c2nc(C3CC3)no2)c1=O)c1ccc2c(c1)OCO2 77200489 CZRQRIHTFZWWHT-UHFFFAOYSA-N 365.345 2.387 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O 57478749 GYNWRIONOZNYOV-UHFFFAOYSA-N 361.398 2.331 0 40 FEAB Cc1ncccc1CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 108420805 RBFVDFJEMGLWOU-FQEVSTJZSA-N 352.482 2.377 0 40 FEAB Cc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)[nH]c2c1C(=O)CCC2 22549503 AQZKFUHNANCPRG-UHFFFAOYSA-N 350.382 2.285 0 40 FEAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1NS(C)(=O)=O 56189032 BFMOKYZDTFXDFJ-UHFFFAOYSA-N 367.515 2.218 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccsc3)C2=O)c1 58191253 YBQDOCIAVFMCLD-QGZVFWFLSA-N 359.407 2.162 0 40 FEAB O=C(CN1CCN(Cc2cscn2)CC1)NCc1cccc(Cl)c1 58266736 MQGIRDWFOIGBGH-UHFFFAOYSA-N 364.902 2.231 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)C(F)(F)Br)cn2)n1 58228277 NWWQCDNQOOQULV-UHFFFAOYSA-N 359.174 2.488 0 40 FEAB Cc1c(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2102853 XGERTZRNQOBHEX-NWDGAFQWSA-N 373.405 2.337 0 40 FEAB CCOc1cc(-c2nnn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)ccc1OC 10337833 ZVVRCYFWAKFUCY-ZIAGYGMSSA-N 373.457 2.252 0 40 FEAB Cn1c(-c2ccc(F)cc2)c(-c2cn3ccccc3n2)c(=O)n(C)c1=O 36359946 GOWDQTYTYKVKGV-UHFFFAOYSA-N 350.353 2.205 0 40 FEAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccccc2Cl)CC1 20611970 KHUODZMEAFBAOL-AWEZNQCLSA-N 350.846 2.487 0 40 FEAB CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 3374240 BXWVEJSMYYHLFP-LBPRGKRZSA-N 371.466 2.444 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 12775648 UWVDPLNFISEKGS-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1NCc1ccco1 3443785 QYMJJPTVEKXLPA-GFCCVEGCSA-N 359.382 2.283 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccccc1 3491729 SOBGVOYXQFYEDI-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc(F)cc2)cc1 3500708 PXTPENZQYIIFRJ-UHFFFAOYSA-N 373.413 2.219 0 40 FEAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1CCS(=O)(=O)C1 8547528 JVVGLIHMJNDRLP-NSHDSACASA-N 366.391 2.087 0 40 FEAB Cn1cc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cn1 306129216 HXTTXVBFIALTGW-UXHICEINSA-N 361.449 2.303 0 40 FEAB CCc1[nH]c(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)c(C)c1C(=O)OC 14183009 NQRFXZNWDHIINO-ZDUSSCGKSA-N 364.442 2.476 0 40 FEAB Cc1cccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c1 14140167 NRTNNTUYDHYMHI-UHFFFAOYSA-N 354.406 2.485 0 40 FEAB CS(=O)(=O)c1ccc2nnn(OCc3ccc(F)cc3Cl)c2c1 8936948 DBZMMEVLWMOPLT-UHFFFAOYSA-N 355.778 2.256 0 40 FEAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c1=O 7364887 CHMNETJIQKDJLC-SNVBAGLBSA-N 366.443 2.118 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(c2cccc(F)c2)=NO1 84549316 ZSEDOMPJGXNPRR-QAPCUYQASA-N 367.380 2.240 0 40 FEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)O2 95464541 QDXGPVNIMLXARP-TXQOSWKISA-N 366.502 2.068 0 40 FEAB CC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)OC)c1ncc(C)s1 95461404 UCZLKDUZRLRQHG-GFCCVEGCSA-N 361.423 2.444 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409388612 FCRRCSKBCXRYMG-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB COC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 408630166 OPNDLAKLHBCADF-CQSZACIVSA-N 362.451 2.276 0 40 FEAB CCOC(=O)c1c(NC(=S)NC(=O)C(C)C)sc(C(=O)OC)c1C 408621784 NXGBNRYBMJUPDZ-UHFFFAOYSA-N 372.468 2.489 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCOc2cccc(F)c2C1 500379096 CRYLNCDGGGEMIT-FZKQIMNGSA-N 359.401 2.448 0 40 FEAB O=S1(=O)C[C@H](CNc2ncnc3c2ncn3C2CC2)c2ccccc21 516147544 AEOUPCXOHONHNY-NSHDSACASA-N 355.423 2.144 0 40 FEAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408603349 GMMDVSUQCXBGPA-AWEZNQCLSA-N 356.488 2.367 0 40 FEAB CCn1cc(Cl)c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)n1 36615310 CZZMLUMCKKUUQS-UHFFFAOYSA-N 367.809 2.277 0 40 FEAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218432527 SIKQPQOTOFKFHB-YESZJQIVSA-N 351.855 2.217 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339056 LQNLFZZVNGUMCJ-LJQHDNKASA-N 371.481 2.009 0 40 FEAB CC1CCN(C(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 224462213 FCSZQVWUDDQYSW-GFCCVEGCSA-N 360.426 2.378 0 40 FEAB COc1ccc2cnn(CC(=O)NC3CCCCCC3)c(=O)c2c1OC 40267169 BKFKVFOZZXCCSA-UHFFFAOYSA-N 359.426 2.253 0 40 FEAB O=C(COc1ccc(Cl)cc1)N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1 225627676 YUABPFYSWACUIN-GUYCJALGSA-N 371.824 2.435 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224467 VJEAHFMEWMEFCZ-HXUWFJFHSA-N 352.438 2.075 0 40 FEAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2ccncc2)CC3)c1 96051715 VCUBUKQPXMUXRL-KRWDZBQOSA-N 352.438 2.235 0 40 FEAB COC[C@H]1CC2(CCN(Cc3ccsc3)CC2)CN1S(C)(=O)=O 96220458 QXAQMQBAPDPTAC-OAHLLOKOSA-N 358.529 2.011 0 40 FEAB Nc1nc(N)c2c(n1)OC1(CCN(Cc3ccc4[nH]ccc4c3)CC1)C2 257344854 ZYWWEYSQDGVONS-UHFFFAOYSA-N 350.426 2.092 0 40 FEAB CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2ccnn2C1 253382788 JHIBQIQMWIMKGB-INIZCTEOSA-N 357.410 2.106 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1CC1CCOCC1 253592313 UXNAXNACGDWDGO-OAHLLOKOSA-N 369.469 2.011 0 40 FEAB CCn1c(C)nc2cc(C(=O)N3CC[C@H](O)[C@@H](n4ccnc4)CC3)ccc21 257301214 RXKWBTRFQHRUIU-OALUTQOASA-N 367.453 2.399 0 40 FEAB Cc1cc(O)n2nc(Cc3nc(Cc4ccc(Cl)cc4)no3)nc2n1 32500621 NHHUBPRIDSMEIK-UHFFFAOYSA-N 356.773 2.356 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCCN(C)CCO)c3ccccc3n2)o1 1638253155 OXXREWXTHLNSTJ-UHFFFAOYSA-N 353.422 2.457 0 40 FEAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3CCCO3)CCSCC2)o1 1776111952 ZFSHHXRRHREBPF-ZDUSSCGKSA-N 367.467 2.104 0 40 FEAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)c(OC)c1 390829377 YENVMMQWVVPRDE-OAHLLOKOSA-N 374.393 2.330 0 40 FEAB CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2cncnc2O)C1 585279230 XRBIYVKRBYJUGF-LJQANCHMSA-N 357.410 2.191 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2ccncc2)C1 585182408 KPAFSVYHODCCST-LBPRGKRZSA-N 367.434 2.076 0 40 FEAB O=S(=O)(N[C@H]1CCn2nccc2C1)c1ccc(Br)s1 244947578 DMWGWJQGQVKLTQ-QMMMGPOBSA-N 362.274 2.000 0 40 FEAB Cn1/c(=N/C(=O)c2cccnc2N2CCOCC2)sc2ccccc21 11330338 QJHBARVWUCYXFT-ZZEZOPTASA-N 354.435 2.213 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)n2)c(C)o1 12146812 QBCKIUAOSRBESB-MEDUHNTESA-N 358.442 2.397 0 40 FEAB C[C@]12CN(Cc3ccc(F)cc3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12231448 RFJULIQJJYVUDW-JXFKEZNVSA-N 353.397 2.398 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1 12365058 GFEWUNKPBMNKNP-AWEZNQCLSA-N 351.410 2.310 0 40 FEAB COc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)c(OC)c1 13598529 HYEXVCAFVORFQW-UHFFFAOYSA-N 359.455 2.013 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15358929 LTKXBWUGBPXYFT-ZDUSSCGKSA-N 353.465 2.438 0 40 FEAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)c4cc[nH]n4)[C@H]23)cc1 19019315 LXSWXZZUJKISLE-BHIYHBOVSA-N 368.437 2.037 0 40 FEAB CC(C)CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C(C)C)CC3 19446956 TYIHTKZLAWQEGP-UHFFFAOYSA-N 370.497 2.439 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 19590433 IMUMHICZDKEFDD-AWEZNQCLSA-N 367.453 2.350 0 40 FEAB Cc1nc(N2CCOCC2)sc1C(=O)NCC(C)(C)N1CCCCC1 19657525 GQOBYLNPDZMKPY-UHFFFAOYSA-N 366.531 2.282 0 40 FEAB CC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)COC1 19661407 CRSRVOCEQIFIEQ-UHFFFAOYSA-N 357.376 2.470 0 40 FEAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1Br 225632568 MHOIZEZUTWQICW-GXTWGEPZSA-N 370.243 2.171 0 40 FEAB CCc1onc(C)c1NC(=O)[C@H]1CCC(=O)N(CC)[C@@H]1c1ccnn1C 622833804 OTZSXCDZFPYSSL-SJCJKPOMSA-N 359.430 2.217 0 40 FEAB COc1ccc(Cl)c2sc(N3CCO[C@H](C(=O)NC4CC4)C3)nc12 1889125043 IKBXBHWJFZBMRC-LBPRGKRZSA-N 367.858 2.442 0 40 FEAB O=C(NCc1ccccn1)c1ccccc1S(=O)(=O)N1CCCCC1 29517225 HCCFYGBDYAQCCA-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB O=C(CN1CC[C@H](c2ccccc2)NC1=O)Nc1cnc2[nH]ncc2c1 1157085725 KYJMFFYZKXCYSP-OAHLLOKOSA-N 350.382 2.053 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCCN([C@H]2CCSC2)CC1 1565522815 RRGBCCPWMLDSBH-AWEZNQCLSA-N 374.503 2.036 0 40 FEAB COc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1 4499840 ZDQLVVDAVASLKQ-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB Cc1cc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc(C)n1 4770849 GRWORBDQILBEQZ-UHFFFAOYSA-N 364.446 2.180 0 40 FEAB CCOC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1 6805011 IFGQIQLKDOCQDK-UHFFFAOYSA-N 355.419 2.495 0 40 FEAB O=c1oc2ccc(Br)cc2cc1S(=O)(=O)N1CCCC1 15862186 NPLQQJYTXQCBMN-UHFFFAOYSA-N 358.213 2.340 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@@H]3C2)ncn1 1775976186 VPXPABWDDXUZPS-ROUUACIJSA-N 374.448 2.179 0 40 FEAB O=C(/C=C\c1ccccc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134187 VYXVZEPUJJBDOJ-QXMHVHEDSA-N 374.448 2.020 0 40 FEAB O=C(CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1)c1ccco1 36708288 CKUYPFCDYNEQHM-GQCTYLIASA-N 368.389 2.049 0 40 FEAB COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nnnn32)cc1 4059306 NHBFKYOKTGYAEV-MRXNPFEDSA-N 363.381 2.004 0 40 FEAB CN(CCCNC(=O)c1ccccc1S(C)(=O)=O)Cc1ccccc1 40017178 SAOLKODSEFUIEK-UHFFFAOYSA-N 360.479 2.342 0 40 FEAB Cc1ncc(CN(C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)s1 40153646 RVTQMROMWYTKIQ-UHFFFAOYSA-N 355.485 2.461 0 40 FEAB O=C(CNC(=O)c1cccc(Cl)c1)NCCN1CCc2ccccc2C1 31338704 KCYCTRJDPYUDIF-UHFFFAOYSA-N 371.868 2.244 0 40 FEAB CC(C)(C(N)=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20387118 MPWVXJLTIZUBTR-UHFFFAOYSA-N 350.772 2.140 0 40 FEAB Cn1c(CS(=O)(=O)c2cccc(Br)c2)nnc1C1CC1 90989275 GSWKNWNRSHILGK-UHFFFAOYSA-N 356.245 2.429 0 40 FEAB CN(C)C1(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)CCCCCC1 29782824 MWLQNRRXOGGBQT-KRWDZBQOSA-N 359.518 2.464 0 40 FEAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 2656810 KDJIJHUONWGRHV-FQEVSTJZSA-N 368.389 2.354 0 40 FEAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1 1324638 QOFAFQIMGLAAGV-UHFFFAOYSA-N 368.484 2.287 0 40 FEAB aggregator CC(C)[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@H]1CCCO1 1345139 HWFCGYLPDLPZKZ-SJLPKXTDSA-N 359.422 2.325 0 40 FEAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)C(=O)O 2788189 XGINGLLXNOAPQP-UHFFFAOYSA-N 352.188 2.334 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 1985852 MDCUHYGGPJZYJV-MRXNPFEDSA-N 352.390 2.217 0 40 FEAB COC(=O)c1sc2ncn3nc(-c4c(Cl)cnn4C)nc3c2c1C 2790794 DIQGPFIRPYXWRH-UHFFFAOYSA-N 362.802 2.488 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1 4568587 XDXMMGOMZPTEDU-CQSZACIVSA-N 366.483 2.155 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)cc1N1CCCC1=O 52806982 UEXCTXUYJBTXOV-LBPRGKRZSA-N 371.393 2.172 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C 102936396 BIERMYQHVPZIBB-ZIAGYGMSSA-N 357.410 2.067 0 40 FEAB Cc1nnc(NC(=O)CSc2ncc(F)c(N3CCCC3)n2)s1 12409655 ROUIKIUFODWOSS-UHFFFAOYSA-N 354.436 2.107 0 40 FEAB Cc1nc(N2CCN(c3ccccn3)CC2)[nH]c(=O)c1Cc1ccccc1 9477269 QPSCRELMHWDDJQ-UHFFFAOYSA-N 361.449 2.391 0 40 FEAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1 9926895 SRDFDFWRNKJKFX-CABCVRRESA-N 364.467 2.302 0 40 FEAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 101274449 VREJVTVNZZXQEJ-HXUWFJFHSA-N 363.461 2.445 0 40 FEAB CC(=O)c1ccc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)c(F)c1 12543704 WJKJDVYMWMWXIW-UHFFFAOYSA-N 350.781 2.092 0 40 FEAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 20495465 XAVGVBNCQBMRCC-LBPRGKRZSA-N 355.394 2.292 0 40 FEAB C[C@@](NC(=O)CCc1nnc(-c2ccccc2)o1)(C(N)=O)c1ccccc1 58150775 YMOBRRGAWHDDSM-FQEVSTJZSA-N 364.405 2.186 0 40 FEAB COCC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158975 JPTYBXXGTPQEGM-PHIMTYICSA-N 371.363 2.180 0 40 FEAB Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 25320837 SBJLCARMIQXPIS-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccsc1 25329506 NBROCUOOUPGIKV-HNNXBMFYSA-N 352.481 2.184 0 40 FEAB COCCNC(=O)Cn1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1 76022372 MYBTUKFXPJWGHI-UHFFFAOYSA-N 358.442 2.196 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 12685160 OCBXYULHHDAHPG-UHFFFAOYSA-N 351.399 2.380 0 40 FEAB CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2097969 RROWKSFDBTZTPK-HNNXBMFYSA-N 359.378 2.030 0 40 FEAB biogenic CN(Cc1ccc(C(=O)NC2CC2)cc1)Cn1ncc2ccccc2c1=O 27541461 IHWWVCDSOVFIKZ-UHFFFAOYSA-N 362.433 2.378 0 40 FEAB NS(=O)(=O)Cc1cccc(C(=O)NCCSCc2ccccc2)c1 58159877 SJKQIWZNGUOLHQ-UHFFFAOYSA-N 364.492 2.138 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2C(=O)N2CCCC2)c1 58265955 OQZQVLKFYAHAIJ-SFHVURJKSA-N 357.454 2.305 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCCc2ccccc21 3376363 CLFXXMVDMXNVHV-UHFFFAOYSA-N 370.380 2.078 0 40 FEAB aggregator CS(=O)(=O)Nc1cccc(CNC(=O)COc2ccc3c(c2)CCC3)c1 10547720 WTEYYVRBLWYMFY-UHFFFAOYSA-N 374.462 2.242 0 40 FEAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 2329412 COFZOQSTDLCJTJ-KRWDZBQOSA-N 351.358 2.339 0 40 FEAB O=C(NCCC(=O)N1CCC[C@@H]1c1nnc2ccccn12)c1ccccc1 29071789 PHAMYWONCVMHEY-MRXNPFEDSA-N 363.421 2.213 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 48354796 RSQRKKOKTDOEFQ-CYBMUJFWSA-N 351.447 2.135 0 40 FEAB CNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](C)c2ccccc2)c1 12818349 VZYBYMTUTAFBPI-LBPRGKRZSA-N 350.415 2.267 0 40 FEAB COc1ccccc1Oc1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 12918943 VIBPTJPMPQVFJV-AWEZNQCLSA-N 369.377 2.414 0 40 FEAB C[C@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 3870675 WTJYDBMHYPQFNJ-LQTXLSDYSA-N 368.470 2.222 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)cc1OC 8992603 RODARJOAFWZSDG-SECBINFHSA-N 359.411 2.489 0 40 FEAB Cn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccncc1 6028902 SKMLNJWHEFFXEF-UHFFFAOYSA-N 356.436 2.467 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1NCCO 5278561 UFXRVEANCRMQCB-ZDUSSCGKSA-N 358.394 2.283 0 40 FEAB CC(C)(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc2c(c1)OCO2 65492990 KWFQWLXGXZCSFD-JTQLQIEISA-N 372.343 2.177 0 40 FEAB CC(C)NC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 65154420 VIFKHWQSZFISMM-UHFFFAOYSA-N 352.394 2.454 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)ccc1Br 14121122 XXBFNSNVJAKDRY-CYBMUJFWSA-N 368.231 2.272 0 40 FEAB CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505212 ZACKRWGAXCKECP-MRXNPFEDSA-N 359.513 2.182 0 40 FEAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NC2CCCC2)c1 14267202 RTMFADDAIQWYPV-UHFFFAOYSA-N 359.455 2.218 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)nc2n1 6510123 RYGOBSDJNGNRME-UHFFFAOYSA-N 370.438 2.033 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(C)s2)C1=O 14661702 FXBUTAXDJJKZNI-QGZVFWFLSA-N 358.423 2.247 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 8749585 UFMULZQQOFHFHR-ZIAGYGMSSA-N 360.483 2.216 0 40 FEAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCNC1=O 7171617 SAPDJGDUKXRIOX-LLVKDONJSA-N 357.439 2.177 0 40 FEAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@](O)(C(F)(F)F)C1 81066475 YEFHFWYGATUFIK-FQIICHMXSA-N 360.420 2.459 0 40 FEAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 19042502 UHGIXJIVMQLPSG-UHFFFAOYSA-N 373.840 2.167 0 40 FEAB CC(C)n1ncc2cc(NC(=O)Cn3cnc4ccccc4c3=O)cnc21 9054533 YJNUCHSPWGNPPZ-UHFFFAOYSA-N 362.393 2.361 0 40 FEAB CCCn1c(NC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc21 9865723 XUTSEAWRQIAFLQ-UHFFFAOYSA-N 362.393 2.190 0 40 FEAB CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 79645548 PJHWAPIAVYOYMX-INIZCTEOSA-N 352.500 2.067 0 40 FEAB CO[C@@H]1[C@H](C)[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1(C)C 95987029 AUTBBJXIMNVRFC-ZNZDAUKMSA-N 360.454 2.368 0 40 FEAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cc2ccccc2oc1=O 56900997 OFILGONVFBPIRA-UHFFFAOYSA-N 363.329 2.248 0 40 FEAB O=C(O)[C@@H]1CN(S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 514778927 PMCILTSXYAEDLZ-VIFPVBQESA-N 361.828 2.029 0 40 FEAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985592 PDGGHEBDJCNEOE-UHFFFAOYSA-N 364.442 2.495 0 40 FEAB CC(C)CN1CCC[C@H]1c1nc(-c2ccnc(NS(C)(=O)=O)c2)no1 35425570 XTGVYIBLTGJPQM-ZDUSSCGKSA-N 365.459 2.296 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC2CCCCC2)n1 72339971 AFUKRROHDJTEKY-CQSZACIVSA-N 357.458 2.271 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 222585765 DENBLAFXULVOBX-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB COCc1nsc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 176747175 RFFOLHWPWOLEKL-UHFFFAOYSA-N 359.377 2.425 0 40 FEAB CC[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1)C(=O)N1CCOCC1 84458637 VBLDXXKCOLFMOJ-RTBURBONSA-N 373.497 2.349 0 40 FEAB CCOCCCNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 225852238 BIYZEDVCBLJMEI-UHFFFAOYSA-N 370.496 2.454 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225708013 NOZSYZLZJHHYNM-UHFFFAOYSA-N 358.485 2.349 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1C 224580734 UJRHZFJSUYFKTQ-UHFFFAOYSA-N 368.499 2.326 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1 225806183 USIGIKMPKDCESP-OAHLLOKOSA-N 366.421 2.199 0 40 FEAB COc1cc(NC(=O)COC(=O)c2ccc(C)nc2)cc(OC)c1OC 45773624 GZMRUHOECOQWKF-UHFFFAOYSA-N 360.366 2.211 0 40 FEAB COc1ncccc1C(=O)N1CCn2c(COCC3CC3)cnc2[C@@H]1C 96109773 NWVZCXJYEATJEO-ZDUSSCGKSA-N 356.426 2.430 0 40 FEAB Cc1ccc(CN2C[C@H]3OCCN(C(=O)c4cscn4)C[C@H]3C2)cc1 96108093 QZEMTSYGJFNPMT-SJLPKXTDSA-N 357.479 2.425 0 40 FEAB CCc1ccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)cc1 96253187 YSIOWASDEKMHDW-FGTMMUONSA-N 357.454 2.493 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)cs1 248006212 DOYUOKZSWKCRMH-OAHLLOKOSA-N 359.451 2.294 0 40 FEAB COc1ccccc1OCC(=O)N1CC2(C1)OCC[C@H]2CCN1CCCC1 247890359 AMDJOSRIDLTHAV-QGZVFWFLSA-N 374.481 2.177 0 40 FEAB CCCS(=O)(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257345003 ZZNNHUQYNQTALJ-HYVNUMGLSA-N 354.472 2.070 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](Oc3nccc(C)n3)CCO2)C1 253477697 HDPXUQAAUAXSTP-MRXNPFEDSA-N 356.426 2.001 0 40 FEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccs2)cc(N(C)C)n1 257253010 JXFSWQBLUSQZFY-CYBMUJFWSA-N 352.485 2.438 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575406001 WLTCOYHLYOMUIY-HNNXBMFYSA-N 358.369 2.379 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC(O)CC2)C3)c1 585105073 XNVZQCCNBSSHGR-HXUWFJFHSA-N 372.509 2.463 0 40 FEAB CO[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[C@@H]1Cc1ccccc1 585280644 MQVOOYFUTUICDP-WOJBJXKFSA-N 358.482 2.351 0 40 FEAB Cc1cccc(N2CCC(O)(CN3CC[C@@H]4NC(=O)CCCC[C@H]43)CC2)c1 585282104 AKZZWOWJCOIIEX-VQTJNVASSA-N 371.525 2.459 0 40 FEAB COc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)c1 5918620 MFWGEJDSBSSDEC-FUHWJXTLSA-N 370.405 2.406 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c(C)n1 12325267 UCWROQYJAQMJRP-HNNXBMFYSA-N 370.906 2.446 0 40 FEAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2ccccc2)no1 12562144 ZBAGJAUURZGFKO-LBPRGKRZSA-N 370.434 2.335 0 40 FEAB COc1ccc(OCCNC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 14240807 BEJBXPQUEATVKD-UHFFFAOYSA-N 356.422 2.237 0 40 FEAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 15357885 JOGMPOBJBNJHGF-UHFFFAOYSA-N 367.423 2.070 0 40 FEAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931238 VDGIGMRYNHZRRY-KRWDZBQOSA-N 360.479 2.247 0 40 FEAB COc1nccnc1O[C@@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 225492501 GDBULNPIRISBIP-CQSZACIVSA-N 360.414 2.093 0 40 FEAB CCOc1c(Cl)cc(CN2CCC[C@]2(COC)C(N)=O)cc1OC 643763305 ZDZIBQOELFIKAJ-KRWDZBQOSA-N 356.850 2.214 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 9450969 XFSHMTQIRMQZGJ-CYBMUJFWSA-N 369.421 2.088 0 40 FEAB O=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1)NC1CCCCC1 1888921978 LWOLLDCZKFOTEC-UHFFFAOYSA-N 371.472 2.405 0 40 FEAB O=C([C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCSCC1 1889096862 HBYBYGWZOIPZKS-LLVKDONJSA-N 360.405 2.287 0 40 FEAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 36392349 CEDNGHYSJZWJIG-UHFFFAOYSA-N 350.396 2.325 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)n1 2037909292 NLMDWHKLQLEVAU-FQEVSTJZSA-N 373.453 2.387 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223303 FFULDMNLWZCBSU-LJQANCHMSA-N 354.458 2.041 0 40 FEAB CCn1nccc1C(=O)N1CCC[C@@]2(CCCN(Cc3ccnn3C)C2)C1 2056223994 LDYKSLPQGNCNQI-HXUWFJFHSA-N 370.501 2.155 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)C3(F)CC3)CC2)CN1Cc1cccnc1 1565542618 FMLGGVMGNZYRET-QGZVFWFLSA-N 361.461 2.413 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)CC3(O)CCC3)C2)C1 1565554202 MDTKKKGMQZPUGZ-HXUWFJFHSA-N 371.437 2.068 0 40 FEAB Cc1cccc(Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 839532 FDSHHZNRAYXEFD-UHFFFAOYSA-N 367.453 2.160 0 40 FEAB COc1ccc(OCCNC(=O)Cn2c(=O)sc3ccccc32)cc1 4693966 USWZHCNYBRZOLD-UHFFFAOYSA-N 358.419 2.267 0 40 FEAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1cccnc1)CSC2 5381118 UFOFRDWIKBNXEJ-UHFFFAOYSA-N 359.455 2.035 0 40 FEAB CCOc1cccc2sc(N3CCC[C@@H](NS(C)(=O)=O)C3)nc12 2298216153 TWIALKUVZMAWOG-LLVKDONJSA-N 355.485 2.213 0 40 FEAB COc1ccc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)cc1 40073357 KACRGESUNKMTIU-UHFFFAOYSA-N 352.350 2.299 0 40 FEAB CN(C)c1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)ccn1 40121000 COGAKABVJLTYRH-HNNXBMFYSA-N 350.426 2.210 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 100817966 YZRQPYPGJKUENX-NVIQENEESA-N 352.173 2.277 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1OC(F)F 46267579 YMIYBZAOFVTEHY-LBPRGKRZSA-N 368.380 2.266 0 40 FEAB CCCCn1c(=O)n(C)c(=O)c2cc3c(nc21)-c1cc(F)ccc1O[C@@H]3O 2654133 WHLBQBNTPNLQME-SFHVURJKSA-N 371.368 2.085 0 40 FEAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCOCC1 32666175 NDIFDUGLYLGMFL-CQSZACIVSA-N 356.378 2.278 0 40 FEAB COc1ccc(F)cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 8138491 FLQXWPPXQAYJCO-UHFFFAOYSA-N 367.398 2.442 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccco2)CC1 32744516 IIQSUPKRPOXMSO-HNNXBMFYSA-N 370.405 2.088 0 40 FEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3C[C@@H](C)C[C@H](C)C3)N2)cc1 2345051 DKBFSGDYULSANX-GRDNDAEWSA-N 372.469 2.246 0 40 FEAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 4664451 JWCLYULVJORWMV-NUZBWSBOSA-N 352.173 2.277 0 40 FEAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NC1CC1 21701814 CXFJBUYNHXGCIQ-LBPRGKRZSA-N 361.471 2.279 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(c2ccccc2)=NO1 32922865 DFXANHNQGOZUAQ-QGZVFWFLSA-N 352.394 2.050 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccco1 22190932 FPTZNZZYGPTEQL-UHFFFAOYSA-N 364.467 2.356 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C1CCCC1 41796602 WZTMSKMNNKNVAF-JYJNAYRXSA-N 350.459 2.016 0 40 FEAB Cc1ccc(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)cc1S(N)(=O)=O 9337799 AYDQVYFUEGEDBR-HUUCEWRRSA-N 365.499 2.093 0 40 FEAB CC1(C)Oc2ccc(NC(=O)Cn3nc(O)c4ccccc4c3=O)cc2O1 47285529 RZDOCIYXVRGKHA-UHFFFAOYSA-N 367.361 2.248 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 42081015 YWZBRRKSVFOQPZ-HUUCEWRRSA-N 370.419 2.441 0 40 FEAB O=C(CS(=O)(=O)Cc1cccc(C(=O)O)c1)Nc1ccc(F)cc1 938846 HFMOBDZLESUHOA-UHFFFAOYSA-N 351.355 2.077 0 40 FEAB CCN1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3C)CC2)C1=O 108533129 QWDCEBXDOYIAER-SFHVURJKSA-N 350.484 2.408 0 40 FEAB O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 12599477 CTSTTYCRLWMNFJ-HUUCEWRRSA-N 363.435 2.241 0 40 FEAB Cc1cc(C)cc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)c1 12548951 TUTREZMWKNWHAZ-UHFFFAOYSA-N 357.439 2.150 0 40 FEAB CCCCOC(=O)[C@H](C)OC(=O)/C=C\C(=O)O[C@H](C)C(=O)OCCCC 104257412 RFNDXDCWEVTDGH-BXIWVINRSA-N 372.414 2.093 0 40 FEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCCCN(C)c1ccccc1 12550484 MYQIZUGNYHFOHO-UHFFFAOYSA-N 360.483 2.316 0 40 FEAB C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 24978966 DSIWEOXRBXPHSW-CHWSQXEVSA-N 369.421 2.235 0 40 FEAB CN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3294702 BJPHUMCYAGWWGO-UHFFFAOYSA-N 362.451 2.088 0 40 FEAB COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)cc1OC 56181966 DGSQEVWAADAFCI-OLZOCXBDSA-N 351.447 2.225 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2c(F)cccc2F)CCN1c1ccccc1F 79028080 GVRLZXOWGCJOPZ-ZDUSSCGKSA-N 370.352 2.188 0 40 FEAB CCCCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)n[nH]c1=O 57994650 XOQQQVAVLCHARY-AWEZNQCLSA-N 363.487 2.200 0 40 FEAB COc1cccc(-n2cc(CNC(=O)Nc3nnc(C4CC4)s3)nn2)c1 58157485 IHWNEOLUHHCFBS-UHFFFAOYSA-N 371.426 2.327 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 306139547 SZXPFBZTWYDZKO-LSDHHAIUSA-N 363.421 2.428 0 40 FEAB COc1cc(NC(=O)CNc2ccc(F)cc2OCCO)cc(OC)c1 58202023 PTGVLSKDKLHVGS-UHFFFAOYSA-N 364.373 2.265 0 40 FEAB CCNC(=O)CN(CC)C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 58279033 WHCZHNHMKQZXOW-UHFFFAOYSA-N 357.458 2.297 0 40 FEAB COc1ccccc1C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 10384536 BWYGFWCXUNXWJG-UHFFFAOYSA-N 367.357 2.107 0 40 FEAB Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1 10554028 PDMARSIDIZPQSJ-UHFFFAOYSA-N 353.469 2.375 0 40 FEAB Cc1cc(C)n2ncc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)c2n1 45124130 VGAGXAANKRFWGE-KRWDZBQOSA-N 351.454 2.249 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(CC3CCCC3)C[C@@H]1C2 306128462 HAWXMLVUIRMLAH-HOTGVXAUSA-N 357.502 2.245 0 40 FEAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 12871242 LKHVIKWNIGNEFE-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB CC(C)(CNC(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 69943826 BWBJLMWYOIUMIH-UHFFFAOYSA-N 352.394 2.254 0 40 FEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)n1cccn1 12924901 RTJRRCDUNUXAQC-CQSZACIVSA-N 362.455 2.257 0 40 FEAB CC1CCN(C(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 13012806 SREHHZBRNGHJII-MRXNPFEDSA-N 363.483 2.008 0 40 FEAB O=C(NC1CCN(Cn2ncc3ccccc3c2=O)CC1)c1ccccc1 13000393 BVNAHRBBFNUVQV-UHFFFAOYSA-N 362.433 2.248 0 40 FEAB O=C(CN1CCC(Cc2ccccc2)CC1)NCCCN1CCCC1=O 8307091 MTBREYPWKYXZHQ-UHFFFAOYSA-N 357.498 2.070 0 40 FEAB COc1cc2c(cc1OC)CN(Cn1c(=O)n(C)c3ccccc31)CC2 14138035 YQDZFLODRXCYLH-UHFFFAOYSA-N 353.422 2.373 0 40 FEAB Cc1nc(Sc2nnc(CCC(N)=O)n2C)c2c3c(sc2n1)CCC3 14184477 LQKVUCZCXPJVIN-UHFFFAOYSA-N 374.495 2.186 0 40 FEAB C[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(CN2CCCC2)cc1 66927447 TVGMQHDJDLLMAK-OAHLLOKOSA-N 359.470 2.152 0 40 FEAB Cc1csc(N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1 68879692 ODTUPAIBWYMHIL-UHFFFAOYSA-N 355.460 2.243 0 40 FEAB O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)C(=O)N1Cc1ccccc1 8944843 DUBVNUKXMHJWQA-UHFFFAOYSA-N 362.345 2.228 0 40 FEAB O[C@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1cccc(Cl)c1 92857455 PKYHALKPZIICCC-CQSZACIVSA-N 359.817 2.050 0 40 FEAB O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9364445 UQIIEUUANQDTSQ-UHFFFAOYSA-N 363.414 2.364 0 40 FEAB Cn1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc32)nc2ccccc21 96223844 UBEKYVVZWQMIGC-KRWDZBQOSA-N 362.433 2.497 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1OC 72333878 PZFODJOBHAZTDL-UHFFFAOYSA-N 365.332 2.455 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)CC1 9668699 DIMOZKXQNMPUAA-UHFFFAOYSA-N 366.483 2.108 0 40 FEAB C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)CCO1 95457575 WDTGOMSNTKCRCD-CHWSQXEVSA-N 353.419 2.105 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cn1cccn1 95998448 VZDPUNYTYDTDLP-GOSISDBHSA-N 365.437 2.286 0 40 FEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1ccccc1 408621085 KZKCOQQFDCTTPR-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB O=S(=O)(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccs1 548663529 HOVFSQJPPKDRON-MNOVXSKESA-N 355.441 2.207 0 40 FEAB NC(=O)c1ccccc1OCc1cccc(C(=O)NC2=NCCS2)c1 35930691 CBWSFXVTAPMREC-UHFFFAOYSA-N 355.419 2.197 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)CC)cc1OCC 32740498 MZCXTBKSCMAPPR-WBMJQRKESA-N 373.471 2.350 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3cccc(C)c3F)CC2)[C@H]2COC[C@H]21 1026098871 VIMBZRFQFACARF-DLBZAZTESA-N 360.429 2.234 0 40 FEAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NC(C)C)C1=O 72343105 NJZDWZFHMLGVKX-DNVCBOLYSA-N 372.421 2.390 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35361703 DUMVZRGXKCBVNA-RBUKOAKNSA-N 369.465 2.141 0 40 FEAB CCOC(=O)c1cn(CC(=O)O)c2ccc(Br)cc2c1=O 78400843 PONHCNZXSSLKCC-UHFFFAOYSA-N 354.156 2.025 0 40 FEAB CCn1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36618936 YZLXLRLLNWZJPR-CYBMUJFWSA-N 361.409 2.499 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F 192671277 BUFXLFMECFUJFP-UHFFFAOYSA-N 368.405 2.484 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222450088 XLDPBCAYIOAGNP-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-n2ccnc2)cc1 223712547 ZXIHFWNLYUGLTL-UHFFFAOYSA-N 361.398 2.499 0 40 FEAB CS(=O)(=O)CCSc1nnc(-c2cccnc2)n1Cc1ccco1 43012541 GKHPQHVTBWNREQ-UHFFFAOYSA-N 364.452 2.118 0 40 FEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 225467745 RVWNVNICSWRJKY-QGPMSJSTSA-N 362.495 2.392 0 40 FEAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCO[C@H](C3CCC3)C2)c1C 333990653 JVZZZSOZTTYJLJ-KRWDZBQOSA-N 351.468 2.348 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@@H]12)Nc1cccnc1 96208400 ZTDDZUVQRAWEIJ-LZQZEXGQSA-N 352.438 2.342 0 40 FEAB CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)N1CCO[C@H](C(N)=O)C1 97402334 CTVSOLYMJAMMJJ-HNNXBMFYSA-N 371.441 2.023 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)Cc2cccs2)CC12CCOCC2 96078632 LBTFVPJZHLDSNE-MRXNPFEDSA-N 362.495 2.072 0 40 FEAB O=C(c1ccsc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049013 HAQSROGAGCXSEM-UHFFFAOYSA-N 362.430 2.189 0 40 FEAB Cc1nc(NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)c2cnn(C)c2n1 583617535 OAFSQPSHHWHQMJ-IRXDYDNUSA-N 352.442 2.156 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CCN2CCCCC2)C1 248092294 CKLIPOPMNODVGQ-QGZVFWFLSA-N 355.486 2.370 0 40 FEAB O=C(Cc1ccccc1)NC[C@@H](C(=O)O)N1CCCC[C@H]1c1cccnc1 247388361 KSYSDRSDSATWKN-OALUTQOASA-N 367.449 2.421 0 40 FEAB biogenic CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 247525415 MXSHAYBCWDWOIG-MOPGFXCFSA-N 360.479 2.457 0 40 FEAB COc1cccc(OCC(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)c1 240067801 SCIOPMGZPUCNBQ-SHTZXODSSA-N 357.410 2.370 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247853176 JJTSHTRLLKCRHY-KRWDZBQOSA-N 362.495 2.154 0 40 FEAB Cn1nccc1C(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257285506 PHLSVNXTGQJFGB-RYRKJORJSA-N 352.438 2.435 0 40 FEAB CC(=O)N1[C@@H](CNC(=O)c2ccc(F)cc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257327494 XBODUSHQHZJJIC-FTEYMNFISA-N 362.445 2.486 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1 257253993 KBDWNLXQXOWMSG-QAPCUYQASA-N 373.478 2.038 0 40 FEAB O=c1/c(=C/Nc2ccc(Cl)cc2)sc2nc(-c3ccncc3)nn12 256055879 XJVYNIQDNFRTJE-LCYFTJDESA-N 355.810 2.435 0 40 FEAB COC(=O)c1ccc(CCC(=O)N2CCOc3ccc(CN)cc32)cc1 602575581 FQVGISUAUCECIH-UHFFFAOYSA-N 354.406 2.290 0 40 FEAB O=C(O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CN1CCCCCC1=O 621581018 GGVPVGHHSZWPCG-JKSUJKDBSA-N 350.459 2.271 0 40 FEAB COc1ccc2[nH]c(C(=O)N3C[C@@H](C)O[C@@H](c4nc(C)no4)C3)cc2c1 628862163 JMCHSKQTJRRPKD-QLJPJBMISA-N 356.382 2.470 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c(F)c1 585104983 XJMIXCYWAFOPFM-IBGZPJMESA-N 350.434 2.294 0 40 FEAB CCCCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096529 RPPBOOPXMDEHDJ-CQSZACIVSA-N 355.442 2.302 0 40 FEAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCCc1ccco1 57995784 INDKZSCCCMAJIW-UHFFFAOYSA-N 352.394 2.025 0 40 FEAB O=C(NCc1cccs1)N1CCCSC[C@@H]1CN1CCOCC1 90609189 HEGXROBWWHPMKM-AWEZNQCLSA-N 355.529 2.097 0 40 FEAB Clc1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 676304335 QTQFDKYPHCDVCB-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB CSc1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cn1 12122821 XVPJBONBTRPAOT-UHFFFAOYSA-N 366.450 2.314 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 12276532 KJIIBOWLBAVHKL-OAHLLOKOSA-N 354.414 2.017 0 40 FEAB COCCCNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14399537 XZCDNTHBQHEGIO-UHFFFAOYSA-N 356.488 2.002 0 40 FEAB O=C1NCC2(CCC(C(=O)Nc3nncs3)CC2)Oc2ccccc21 19374748 YLCOJENQSDGPHI-UHFFFAOYSA-N 358.423 2.228 0 40 FEAB C[C@]12CN(C(=O)CCc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O 19576423 FKYGVTIVFCWLME-GCJKJVERSA-N 362.429 2.463 0 40 FEAB O=C1CO[C@](c2nccs2)(C2CCN(Cc3ccccc3)CC2)CN1 19696651 QBXZJANUYSOJBK-IBGZPJMESA-N 357.479 2.397 0 40 FEAB NCCN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643566814 XMBVTRTVOPCFPP-UHFFFAOYSA-N 359.514 2.339 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 9366768 DQAYMIKCKRMXDM-GFCCVEGCSA-N 361.419 2.352 0 40 FEAB COc1ccnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)n1 1888879061 KWRAFZULGMJEAN-UHFFFAOYSA-N 354.414 2.132 0 40 FEAB O=S(=O)(c1ccccc1Br)N1CC[C@H](c2ncon2)C1 238954286 XPOJKONVBJQEBN-VIFPVBQESA-N 358.217 2.010 0 40 FEAB CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226359 PRCDXRJAXQUSEK-RDJZCZTQSA-N 372.387 2.154 0 40 FEAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCCC1=CCCCC1 2952179 MEDCAYQFFSWSJD-UHFFFAOYSA-N 355.438 2.477 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccc2c(c1)OCO2 4941532 AKGGUUGPYJJMCZ-UHFFFAOYSA-N 370.390 2.269 0 40 FEAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3cccs3)cc21 5252422 IXXRGLSEQBZENU-UHFFFAOYSA-N 357.435 2.302 0 40 FEAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ncccn1 11612541 QXRGZHRJNMBDHK-CQSZACIVSA-N 360.439 2.049 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)C(C)(C)C)CC2)[C@@]2(CCN(C)C2=O)C1 2055796017 LBACSGAYDGOMLL-NRFANRHFSA-N 363.546 2.461 0 40 FEAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)NC2CCCC2)C3)CC1 2055772027 RTPFZLNGGSOXII-HNNXBMFYSA-N 358.486 2.376 0 40 FEAB COC(=O)c1cnc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)s1 225716470 JKLNZJACJFCLAL-SNVBAGLBSA-N 365.436 2.461 0 40 FEAB CN(C)c1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)ccn1 40121001 COGAKABVJLTYRH-OAHLLOKOSA-N 350.426 2.210 0 40 FEAB C[C@@]1(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CCS(=O)(=O)C1 30998274 RCENIGQCSYCRFC-MRXNPFEDSA-N 368.455 2.185 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc(F)c(F)c1 31298526 QMLZDEMJQZBALG-OAHLLOKOSA-N 362.332 2.113 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(-c2nnco2)c1 46004023 GBVHJVJODAJSKC-UHFFFAOYSA-N 362.353 2.034 0 40 FEAB O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902125 GMSCRIVVGSXEAX-UHFFFAOYSA-N 365.499 2.286 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c(OC)c1 1362076 BAQZDUVADJNSQX-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB Cc1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)ccc2o1 32770872 OBKABWKUKWEZGI-MRXNPFEDSA-N 363.377 2.195 0 40 FEAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1cccc(N2CCCC2=O)c1 32904866 HOHKNVIJMFNHFK-ZDUSSCGKSA-N 355.394 2.336 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1O 32935320 UUFUSRYWDAVKBK-UHFFFAOYSA-N 355.437 2.213 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c(OC)c1 6929194 WEVSXDOYFRJSHO-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 55554958 MFESCYXDWFSVRB-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB COc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1 10338438 RIYBHLNYTCVIBC-CQSZACIVSA-N 352.438 2.150 0 40 FEAB C[C@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)NC(N)=O 22383937 HGOOZTABVKMIAQ-QMMMGPOBSA-N 367.814 2.133 0 40 FEAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 52410424 MGIGELHEQYLUGV-CYBMUJFWSA-N 373.261 2.368 0 40 FEAB Cc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)cc1S(N)(=O)=O 9337798 AYDQVYFUEGEDBR-LSDHHAIUSA-N 365.499 2.093 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCCc1cn[nH]c1C 69701209 MAFDVELMRZQDIS-UHFFFAOYSA-N 350.444 2.184 0 40 FEAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1nnnn1Cc1ccc(C)cc1 100427264 LAOKZFPJYAVAHH-OALUTQOASA-N 368.485 2.051 0 40 FEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccccc2)CC1 23822722 KADARCQAMIUHNU-HNNXBMFYSA-N 362.433 2.442 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2nc(C)no2)c1 24661955 CAVYXVURVHKYQK-UHFFFAOYSA-N 354.432 2.029 0 40 FEAB O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(Br)cc1Cl 44502377 KGEVUFHVSCWLTQ-SECBINFHSA-N 367.696 2.380 0 40 FEAB Cn1ncc2c(N3CCN(CCc4ccccc4Cl)CC3)ncnc21 58180088 JCJPXZVYXRQSRR-UHFFFAOYSA-N 356.861 2.381 0 40 FEAB O=C(Nc1cccc(CN2CCOCC2)c1)[C@H]1COc2ccccc2O1 58180061 XLMFCWZULBFKRR-LJQANCHMSA-N 354.406 2.297 0 40 FEAB CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 58263034 INSOAKXTEXZBEY-HNNXBMFYSA-N 353.484 2.446 0 40 FEAB CC(C)n1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 3349554 AHIJOMJFEDYJFB-UHFFFAOYSA-N 359.455 2.482 0 40 FEAB CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 2108242 ZXOHMCLAHRPJCP-OAHLLOKOSA-N 361.394 2.499 0 40 FEAB biogenic CN(Cc1ccc(Cl)s1)C(=O)COc1cccc(-n2cnnn2)c1 36394560 AALLFWCPCQTHGJ-UHFFFAOYSA-N 363.830 2.415 0 40 FEAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCC(F)(F)F 3362722 QOCUJFKGCICLEQ-UHFFFAOYSA-N 370.283 2.367 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1 12732420 RNTUBCUNRXRCHI-UHFFFAOYSA-N 369.421 2.487 0 40 FEAB CCOC(=O)c1sc2nc(COC(=O)c3cccn3C)nc(N)c2c1C 11321758 JQFNEVLAGRPOIZ-UHFFFAOYSA-N 374.422 2.454 0 40 FEAB Cc1cccc2nc(Cn3cnc4ccc(Cl)cc4c3=O)cc(=O)n12 11517939 MDDOBQQNYAOMNN-UHFFFAOYSA-N 352.781 2.415 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(-n2cccn2)c1 48354213 VEGAVIWLDIJLEC-UHFFFAOYSA-N 357.391 2.460 0 40 FEAB CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)CC 408697848 LVHDCXAYNZHRII-UHFFFAOYSA-N 363.439 2.307 0 40 FEAB COc1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc1OC 48763711 KCSZIDPQCZQSGL-AWEZNQCLSA-N 356.378 2.282 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 8756101 PHLLVYYFGKFRPD-UHFFFAOYSA-N 350.378 2.073 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1cccc(Cl)c1 8747733 AQRGKZXOFAEJQY-OAHLLOKOSA-N 357.797 2.442 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5166072 QBSGYLMBYDEUCK-GFCCVEGCSA-N 363.373 2.058 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 4329073 CNRXRQZZUANFRI-LBPRGKRZSA-N 371.393 2.117 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 14136469 HETCZEAGUUWTPA-SFHVURJKSA-N 357.366 2.002 0 40 FEAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)Nc1sccc1C(N)=O 9497824 XSWAXNXQPODCST-SNVBAGLBSA-N 372.402 2.193 0 40 FEAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 4511267 ABWJVOTTWVIVBH-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5625198 CXLMEGJXTMYRRM-FOCLMDBBSA-N 350.378 2.118 0 40 FEAB COC(=O)CCNC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 62714917 SSXWQOJDQHMIAQ-SNAWJCMRSA-N 372.215 2.159 0 40 FEAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)c1 20372705 QUIXYCAVWZBQOG-OAHLLOKOSA-N 352.390 2.393 0 40 FEAB CCc1nn(C)cc1NS(=O)(=O)c1cc(C)c(Cl)c(C(=O)O)c1 91021316 TYABLZHYOUYNNR-UHFFFAOYSA-N 357.819 2.443 0 40 FEAB Cc1nc(CN2CC[C@]3(CNC[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306130341 JCYGYNZPJMYYDP-MAUKXSAKSA-N 359.499 2.335 0 40 FEAB O=C(c1ccc2nccnc2c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 8395555 NLTGQBOSMXEKHB-CQSZACIVSA-N 371.418 2.052 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3ccccn23)CC1 8392733 XDSZNBCIJRQLCN-GFCCVEGCSA-N 362.455 2.012 0 40 FEAB COc1ccc(-c2csc(NC(=O)C3=NNC(=O)CC3)n2)c(OC)c1 8315816 VFELEXJFBGJROO-UHFFFAOYSA-N 360.395 2.032 0 40 FEAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(CCCC(C)C)C1=O 9397309 ZVAGPWZYFCPMEM-FQEVSTJZSA-N 357.454 2.488 0 40 FEAB biogenic CCN(Cc1ccc(OC)c(F)c1)C(=O)CSc1nnc(N)s1 8496516 NQGDHJWTNXSFNJ-UHFFFAOYSA-N 356.448 2.409 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C2)c1 98211975 SUJWRHHNBGDOAM-OAHLLOKOSA-N 359.426 2.313 0 40 FEAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@H]3CCS(=O)(=O)C3)cc12 95946875 BMCWHOAMELSHGA-NSHDSACASA-N 356.469 2.406 0 40 FEAB COCCN(C)CCNC(=O)c1cc2ccccc2nc1N1CCCC1 95957372 PTAZFYXCEHWHDL-UHFFFAOYSA-N 356.470 2.143 0 40 FEAB COCCCN1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 409239106 BXGQRIBLFMRWED-MDWZMJQESA-N 351.380 2.497 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 21348217 KXMNOVRNBFAUTK-NRFANRHFSA-N 368.477 2.447 0 40 FEAB aggregator CCOc1cccc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1 548010620 JJDWLYFLKBODBJ-SFHVURJKSA-N 360.483 2.483 0 40 FEAB O=C(CNCCCN1CCOCC1)Nc1ccc(N2CCCCCC2)cc1 35311426 WPBNFPJKAZTVBD-UHFFFAOYSA-N 374.529 2.317 0 40 FEAB CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1cnn(C(C)C)c1)CC2 306135582 OVFATTPQHJNWAM-HNNXBMFYSA-N 358.490 2.304 0 40 FEAB O=C(c1cc[nH]n1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355189 VXTWOFQIAXICJZ-MRXNPFEDSA-N 353.470 2.364 0 40 FEAB Cn1c(C(F)(F)F)cc(=O)n(-c2cc([N+](=O)[O-])c(Cl)cc2F)c1=O 38307618 SVBRAMBIQJUBEA-UHFFFAOYSA-N 367.642 2.256 0 40 FEAB CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 35315136 VYDGVIPGAWHVQE-UHFFFAOYSA-N 360.418 2.447 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)c3cccc(-n4cnnn4)c3)c2c1 72402149 WBCQBDAVVRPIFY-UHFFFAOYSA-N 362.393 2.125 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 72390976 UKHDHWZZIFNPTR-UONOGXRCSA-N 370.428 2.045 0 40 FEAB NC(=O)c1cc2c(nc1N1CCC[C@@]3(C1)C(=O)Nc1ccccc13)CCC2 72143286 CRGYZXIEIWWFFS-NRFANRHFSA-N 362.433 2.160 0 40 FEAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 42645861 GKGCDJIEIQMSJU-UHFFFAOYSA-N 361.211 2.458 0 40 FEAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225841761 VBVZTTBNZZEEJA-UHFFFAOYSA-N 368.484 2.343 0 40 FEAB COc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 226034963 CDAUVEISFOTKED-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB COc1cc(Cl)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015995 SQUMKFVTZYETCT-UHFFFAOYSA-N 366.830 2.396 0 40 FEAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223574341 GNMGAQYKJBWNPH-ROUUACIJSA-N 374.510 2.111 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCc2ccccc2OC)c1 224013289 CGVKURKBKXGMTR-UHFFFAOYSA-N 363.435 2.393 0 40 FEAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 199402668 VALNAIYDWNVCOB-AWEZNQCLSA-N 350.459 2.067 0 40 FEAB Cc1cccc(CN2CCn3c(nn(CCc4ccccc4)c3=O)C2=O)c1 98213128 SFBVAYQTALTPJT-UHFFFAOYSA-N 362.433 2.252 0 40 FEAB COCCN1CCOCC12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 96226163 UQQCVHZQZDWDKO-UHFFFAOYSA-N 357.454 2.121 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 142683835 YJWKFEOPTCAJCT-HTRSUBBNSA-N 353.418 2.299 0 40 FEAB O=C(CCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21 96230994 WUVDVHJXFCZDLK-INIZCTEOSA-N 363.421 2.272 0 40 FEAB COc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3[C@@H]2C)cc1 96062019 STXOHHPMTBNZTL-KRWDZBQOSA-N 369.513 2.216 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 248034394 RRBYVGBSFMHXQW-MRXNPFEDSA-N 369.421 2.003 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242498477 HHBOGWJEQVAYCR-BFYDXBDKSA-N 366.822 2.343 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 250263530 FQQHFOVURRVTII-WBVHZDCISA-N 358.438 2.156 0 40 FEAB CC(C)c1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)on1 257310869 UGYZTEHGPGZPSX-IBGZPJMESA-N 358.442 2.297 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 257327587 XBYKYCYCQBYICU-CQSZACIVSA-N 354.410 2.107 0 40 FEAB C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 253603373 KJIXZEHJTYWXJD-LIEJCIORSA-N 360.502 2.216 0 40 FEAB NC(=S)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252514457 CMQALRVVRMGTGA-ARFHVFGLSA-N 361.444 2.257 0 40 FEAB CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1 1648885150 VJWFYGSYXYDKHZ-UHFFFAOYSA-N 357.435 2.049 0 40 FEAB Cc1ncc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)o1 639650712 WEXGFSKGBCYUAD-UHFFFAOYSA-N 353.382 2.377 0 40 FEAB Cc1nnc(COC2CN(C(=O)[C@H]3CC(C)(C)Oc4ccccc43)C2)o1 644215389 BMAXYHGMJCCONW-HNNXBMFYSA-N 357.410 2.450 0 40 FEAB COCC1(C2CCC2)CN(C(=O)NCc2cnc(C(F)(F)F)nc2)C1 665504866 BUFRNCQSPDLHIC-UHFFFAOYSA-N 358.364 2.454 0 40 FEAB O=C(NCCn1ccc(C(F)(F)F)n1)c1cc(=O)c2ccccc2o1 96098988 SMOILQZGUBPYEE-UHFFFAOYSA-N 351.284 2.438 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2ccccc2OC)Cc2cccn2C1 585099083 JHMHLHTURUGVRV-KRWDZBQOSA-N 371.481 2.281 0 40 FEAB O=C(N1CCC2(CCOC[C@H]2COc2cnccn2)CC1)C1(F)CCC1 585102879 GGQXVKKMKBRHCY-HNNXBMFYSA-N 363.433 2.393 0 40 FEAB O=C(NCCOCCN1C(=O)CCC1=O)c1ccc(-c2ccsc2)cc1 828250497 QUEZTQRUOCRDQO-UHFFFAOYSA-N 372.446 2.311 0 40 FEAB O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159965 VZIDYFPFHWMZMF-LJQANCHMSA-N 358.369 2.457 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccco4)nc(C)n32)s1 12115365 WBTSOWZIYGAFIR-UHFFFAOYSA-N 370.434 2.279 0 40 FEAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(CCc4ccccc4)c3n2)c1 12145947 JHXPDQFTTSOCAF-UHFFFAOYSA-N 373.416 2.437 0 40 FEAB COc1ccc(CN(Cc2cnc(N)nc2)C[C@@H]2CCCO2)c(OC)c1 12187242 ZYPALUIBKXYBKQ-KRWDZBQOSA-N 358.442 2.257 0 40 FEAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(O)cc1)C2 12239934 DCLPIBDETKCNRD-CQSZACIVSA-N 354.454 2.413 0 40 FEAB CCc1c(C)nc(C2CCN(C(=O)C3CC3)CC2)nc1N1CCOCC1 12276299 XAMGRDAHYUIPJE-UHFFFAOYSA-N 358.486 2.300 0 40 FEAB COc1ccccc1O[C@H](C)C(=O)N1CCC(O)(Cn2ccnc2C)CC1 19287791 AUKDTOLHUCAYRB-OAHLLOKOSA-N 373.453 2.021 0 40 FEAB CCN1CCN(C(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)CC1 19817165 ADPIFGCLGFMIMN-UHFFFAOYSA-N 368.416 2.017 0 40 FEAB O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(Cc2ccccc2)CC1 19937283 LGMPTKUXVZNBAE-UHFFFAOYSA-N 374.444 2.395 0 40 FEAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(CC1=CCCOC1)C2 19017388 QTZFDCKUDRHNDK-LJQANCHMSA-N 356.470 2.255 0 40 FEAB CSc1ncccc1C(=O)NCC1(N2CCOCC2)CCSCC1 1888842690 SSVOOJABBCMHKI-UHFFFAOYSA-N 367.540 2.131 0 40 FEAB COc1c2ccc(C(=O)N3CC(Oc4ccnc(C)c4)C3)cc2nn1C 1889211963 VIAPDXSWNWVSAI-UHFFFAOYSA-N 352.394 2.189 0 40 FEAB O=C(c1cccc(Cl)n1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552590 OEUSFYPUPRGBFL-FZKQIMNGSA-N 373.844 2.401 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1 4327159 PFKVOHSTBPESRQ-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)[C@@H](C)Oc2ccccc2)cc1 9570486 YSMPEPLRSRIZEZ-CQSZACIVSA-N 367.409 2.145 0 40 FEAB COc1ccc(Cc2n[nH]c(NCc3ccc4c(c3)OCO4)nc2=O)cc1 10257356 RUVXAEJISUPPPD-UHFFFAOYSA-N 366.377 2.105 0 40 FEAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1cccc(Cl)c1 23143678 BQZYBDLJAOGZPW-UHFFFAOYSA-N 355.799 2.426 0 40 FEAB O=C(CSc1ccc(F)cc1)NCCn1ccnc1-c1cnccn1 575609172 KEXGWIQYZZVTFE-UHFFFAOYSA-N 357.414 2.388 0 40 FEAB CN(C)c1cc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)ccn1 2298074408 YHTQSZVEUAZUKS-CQSZACIVSA-N 353.430 2.078 0 40 FEAB Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(Br)o2)n1 36708115 TVKIUGDBERGJQZ-UHFFFAOYSA-N 368.235 2.048 0 40 FEAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 16029905 MFLKMPDOTUQELR-DOTOQJQBSA-N 350.418 2.457 0 40 FEAB biogenic Cn1ccnc1[C@H](NC(=O)CCCn1cncn1)c1ccc(Cl)cc1 40151822 GTDLEPXXMWTXOD-MRXNPFEDSA-N 358.833 2.351 0 40 FEAB COc1ccc(-c2noc(CCC(=O)NCc3ccccc3CO)n2)cc1 40158514 CZICDOHMWFTCCS-UHFFFAOYSA-N 367.405 2.487 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@H](c1ccc(F)cc1)C1CC1 101018675 VQXCOUROKWWXJG-HLQCWHFUSA-N 368.408 2.200 0 40 FEAB C[C@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102235552 VFZCHUJIRVNHLG-QCQGSNGOSA-N 373.482 2.401 0 40 FEAB CCOc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1 32891626 QVVHCDNFKSEMSL-INIZCTEOSA-N 369.469 2.020 0 40 FEAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 102614677 CZFRBNRMYDNMLM-ILRDRHFLSA-N 369.417 2.060 0 40 FEAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 6214026 XNHUEJUHDGYBIO-UHFFFAOYSA-N 361.242 2.410 0 40 FEAB Cc1ccccc1OC[C@@H](C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 55693435 RFJOODUTGQPHGD-ZACQAIPSSA-N 370.449 2.220 0 40 FEAB Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2cccs2)c1 10384210 IPJRQZCPKZGCKQ-AWEZNQCLSA-N 357.435 2.026 0 40 FEAB Cc1ccccc1CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 24114589 JOGBIAYRQQOQPP-UHFFFAOYSA-N 351.516 2.233 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCCN(C)c3ccccc3)c(=O)[nH]c2c1 12526740 BSHIVXQZPWPBLF-UHFFFAOYSA-N 367.405 2.003 0 40 FEAB CCc1ccc(OC[C@H](O)Cn2nnc(-c3cccc(OC)c3)n2)cc1 24831630 SMNJFYGZUYUZTB-MRXNPFEDSA-N 354.410 2.351 0 40 FEAB CCC(=O)N1CCC[C@H](C(=O)NCCNc2ncccc2C(F)(F)F)C1 56076796 OIDJOEXOIMTVHK-LBPRGKRZSA-N 372.391 2.277 0 40 FEAB CCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1 25784490 ZTSAZDXCGUTOHJ-UHFFFAOYSA-N 365.861 2.457 0 40 FEAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NC[C@@H]1CCCO1 108864422 GBBXEGRKTXEASY-ISLQHJTJSA-N 355.862 2.403 0 40 FEAB Cc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(OCC(F)(F)F)c1 58194631 HZKBSAUCODVTQJ-UHFFFAOYSA-N 373.375 2.087 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 24680190 LRFJJCDCOSUCCP-CYBMUJFWSA-N 356.513 2.171 0 40 FEAB CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(COC)nn2c1N 20636094 NRZHYCDTHGYLET-UHFFFAOYSA-N 361.789 2.350 0 40 FEAB CCN1CCN(Cc2ccc(NC(=O)C[C@@](C)(O)C(F)(F)F)cc2)CC1 58341785 INKCZCSAUHHXTF-QGZVFWFLSA-N 373.419 2.466 0 40 FEAB CC(C)n1nccc1[C@H]1CN(CC2CCCCC2)C[C@@]12OCCNC2=O 306137577 RAFYDELPLKKJTB-YLJYHZDGSA-N 360.502 2.329 0 40 FEAB O=C(OCc1cc(=O)oc2cc(O)ccc12)[C@@H]1COc2ccccc2O1 12824828 NJRMZYSPBNFVSQ-KRWDZBQOSA-N 354.314 2.382 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O 3454444 ISFYVFBHRGOVSP-UHFFFAOYSA-N 372.208 2.379 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cn2)cc1 12992217 LGRMGLFGNBWRLX-UHFFFAOYSA-N 362.817 2.253 0 40 FEAB COCCn1c(C)cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c1C 5021234 UPLHDLAZWYGHMG-LJQANCHMSA-N 373.405 2.317 0 40 FEAB Cc1csc(=O)n1CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 13986092 LZPBDASBMJDPPO-HNNXBMFYSA-N 373.478 2.486 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(O)c1 5755519 CZROEGFCYUUOFL-UHFFFAOYSA-N 354.362 2.313 0 40 FEAB O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 66863148 UGTXQJCVBZGMRP-INIZCTEOSA-N 371.412 2.473 0 40 FEAB CCn1c(COC(=O)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 6972140 OKCFXCAVFXVFRH-UHFFFAOYSA-N 353.444 2.006 0 40 FEAB O=C(Nc1cccc2c1CCCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 8943564 REPWVCCDFVTPIF-UHFFFAOYSA-N 357.435 2.002 0 40 FEAB C[C@H](Sc1nccn1C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 15703631 DRPUCYRFFAJGAJ-JTQLQIEISA-N 362.411 2.020 0 40 FEAB Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 7535275 ORFBLLQSONGCTK-UHFFFAOYSA-N 367.847 2.085 0 40 FEAB O=C(COC(=O)c1ccccn1)NCc1ccccc1OC(F)(F)F 9766264 STQFQAVAKAPFHT-UHFFFAOYSA-N 354.284 2.453 0 40 FEAB CN[C@H]1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc(F)cc2)C1 97228883 BNLXHJGFUWAKGF-HNNXBMFYSA-N 353.401 2.302 0 40 FEAB Cc1c(NC(=O)N2CCC[C@H]2C(C)(C)O)c(=O)n(-c2ccccc2)n1C 95454849 BOCWHXNFQJRWMS-HNNXBMFYSA-N 358.442 2.252 0 40 FEAB COc1nccc(N(C)C)c1NC(=O)NCc1csc(N(C)C)n1 95996387 FUXOPGZXUNPRPR-UHFFFAOYSA-N 350.448 2.000 0 40 FEAB CCN1CCC[C@@]2(CN(C(=O)COC3CCCC3)CC(F)(F)C2)C1=O 306130314 JCEWPYHGDGEHIG-QGZVFWFLSA-N 358.429 2.442 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1907675 QVMDAAMLBMFLLB-HNNXBMFYSA-N 361.394 2.184 0 40 FEAB biogenic Cn1nc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n(C2CC2)c1=O 77148346 SVVLJOISFWCUEU-UHFFFAOYSA-N 365.437 2.418 0 40 FEAB O=C(CNCCCN1CCOCC1)Nc1ccccc1N1CCCCCC1 35311423 JAACMMWBXQFHKL-UHFFFAOYSA-N 374.529 2.317 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)n1 72335455 STUDPBSIQZVUHO-UHFFFAOYSA-N 353.470 2.268 0 40 FEAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(C)=O)nn2c1C 72351291 RDTIAJBYNOUFBR-SFHVURJKSA-N 371.485 2.488 0 40 FEAB CC(C)(C)C(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 77263048 OTRPJNIHGHUQBJ-QILLFSRXSA-N 373.453 2.350 0 40 FEAB biogenic,in-vitro C[C@@H]1CCCCN1Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 123679781 GSWMBNYWFHWZNM-VQIMIIECSA-N 372.513 2.481 0 40 FEAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217497377 JIGXLRWVEJTKAR-GFCCVEGCSA-N 356.444 2.053 0 40 FEAB CN(C)CCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O 40397979 OKJORKCJXSXYSS-UHFFFAOYSA-N 368.828 2.321 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1 130792942 DIIREALTFJRPGL-UHFFFAOYSA-N 374.462 2.296 0 40 FEAB COc1ccc(OC)c(-n2nc(C(=O)C(C)(C)C)cc(C(=O)O)c2=O)c1 225968538 UMNDUDATWBILBS-UHFFFAOYSA-N 360.366 2.177 0 40 FEAB O=S(=O)(NC[C@@H]1CCOc2ccccc21)c1cccc2c1OCCO2 329222523 WNFCQRXFJMKXEN-ZDUSSCGKSA-N 361.419 2.302 0 40 FEAB COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222772879 HLLXXBSGZUWOTA-KRWDZBQOSA-N 370.449 2.245 0 40 FEAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C 223261498 MWEJTEVXLWZUMI-MSOLQXFVSA-N 373.526 2.064 0 40 FEAB C[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCN1C(=O)OC(C)(C)C 85340212 SBYBWPWXYIGEND-BBRMVZONSA-N 362.426 2.294 0 40 FEAB Cc1cccc([C@H](O)[C@@](Cl)(I)S(C)(=O)=O)c1 96520030 OGQNWPFZVBTHRB-VHSXEESVSA-N 374.627 2.401 0 40 FEAB Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)c1ccco1)CC2 96187726 AMFTZGHRVSZVSN-INIZCTEOSA-N 352.394 2.365 0 40 FEAB O=C(c1ccncc1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239687 WFBXIHRXDUCCHZ-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB COc1cccc2c1OC[C@H](NC(=O)c1cnc(OCC3CC3)cn1)C2 585081197 GBFJJNFINBKBQQ-CQSZACIVSA-N 355.394 2.008 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257247651 IZYJPZQWBVAMNE-INIZCTEOSA-N 350.426 2.392 0 40 FEAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)c(O)c1 257256675 KMLLFVNDYSLCSC-KBAYOESNSA-N 350.459 2.287 0 40 FEAB COc1ccc2[nH]cc(CC(=O)N3CCN(C)C4(CCOCC4)CC3)c2c1 1775960988 ZUMDXFVANTXCAG-UHFFFAOYSA-N 371.481 2.432 0 40 FEAB COc1ccccc1N1CC[C@H](CN2C(=O)N3C4CCC3(CC4)C2=O)C1 630971919 JLIFYCPIMROWFL-BQTBQCLESA-N 355.438 2.481 0 40 FEAB CCN(c1cnn(C)c1)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 655594858 FWFUHIIULRPZFO-UHFFFAOYSA-N 365.455 2.188 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc12 671169955 BPUSCELUELYYGQ-CQSZACIVSA-N 370.434 2.176 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 585108238 AVBDMWYRUOXKDA-RYQLBKOJSA-N 371.412 2.452 0 40 FEAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 585099826 CZURMTBYVSKEDG-UYAOXDASSA-N 360.502 2.429 0 40 FEAB Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCC(C)CC2)n(C)n1 585097401 KZUHBQAVQGPKGT-SFHVURJKSA-N 356.518 2.431 0 40 FEAB CCOc1cccc(NC(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2ccccc2)n1 952884467 HEXMJQCFHOSJHS-RBUKOAKNSA-N 369.421 2.407 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)OCc2ccccc2)C1 83749809 KKRRFIHAVBPQQX-CABCVRRESA-N 350.415 2.141 0 40 FEAB COCCOc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nccs2)C3)cc1 1615611349 KNTZEGBVJICVHV-LESCRADOSA-N 373.478 2.171 0 40 FEAB CCCC1=C(C(=O)OC)[C@H](c2ccc(OC)c(OC)c2)NC(=S)N1 5751173 VYYDRRWZIOJSDX-HNNXBMFYSA-N 350.440 2.450 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1c1ccccc1F 12116050 CNTLEKXWLIZTBB-CABCVRRESA-N 371.412 2.456 0 40 FEAB Cn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2ccncc2)CC1 12143357 SZEYJLKJTLYQHG-FQEVSTJZSA-N 363.465 2.219 0 40 FEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCCCC1 12973343 GADBGJIUGSBXGI-MRXNPFEDSA-N 350.484 2.316 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1 19348163 JHVQUOSZMITKHD-HNNXBMFYSA-N 366.400 2.108 0 40 FEAB CC1CCN(c2ncc(CN3CCC(N(C)CCN(C)C)CC3)cn2)CC1 19497088 CWGYILINZVLULC-UHFFFAOYSA-N 374.577 2.171 0 40 FEAB COc1cccc(CN2CCN(CC(=O)NCc3ccco3)[C@@H](C)C2)c1 19575646 JJVGDSPWDARPMD-INIZCTEOSA-N 357.454 2.111 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 4545322 RDCPUXAWLUTMGS-LMRAXHDRSA-N 351.380 2.389 0 40 FEAB Cc1ccnc(N2C[C@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@@H]3C2)n1 1888867073 KYPUYFMIFHAVBR-HOTGVXAUSA-N 355.417 2.202 0 40 FEAB COc1nn(C)cc1C(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 238897871 RFDBWPFSOXNHAV-LSDHHAIUSA-N 367.409 2.144 0 40 FEAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccc1F 8987115 AZIBXLNDCBFODN-LBPRGKRZSA-N 356.353 2.337 0 40 FEAB COc1cc(NC(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc(OC)c1OC 10256232 KNAOVNPUYSIXSJ-CQSZACIVSA-N 371.393 2.161 0 40 FEAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)COc1ccc(Cl)cc1Cl 225634300 VTSGVQKJVXDISU-ZYHUDNBSSA-N 362.209 2.161 0 40 FEAB O=C(CCc1ccccc1)NCCn1nc([C@H]2CCNC2)c2cccnc21 19370954 WWTPWAASYGQPEG-KRWDZBQOSA-N 363.465 2.257 0 40 FEAB CC1CCN([C@H](CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1 19655290 POVLIMFYPFZJSG-OAHLLOKOSA-N 359.499 2.252 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 40090532 HZRLYISNHGETGR-HUUCEWRRSA-N 362.445 2.243 0 40 FEAB COc1ccc(OC[C@H](O)Cn2c(CCCO)nc3ccccc32)cc1 40115593 ZXHACTTZOYIWNR-OAHLLOKOSA-N 356.422 2.410 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 32098029 GFMNEHBNXOREDN-UHFFFAOYSA-N 373.438 2.173 0 40 FEAB O=C(NCc1coc(-c2cccs2)n1)N1CCN(c2ncccn2)CC1 32870464 UBVSBPPYPUHZPW-UHFFFAOYSA-N 370.438 2.225 0 40 FEAB COCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 4388948 DVHIPGVTALULRJ-UHFFFAOYSA-N 370.247 2.208 0 40 FEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1cccnc1 6548198 FNGXKGPZCYWHGN-UHFFFAOYSA-N 360.167 2.012 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)on3)CC2)c(Cl)c1 32901260 FLJOIOLGIFPAKW-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H](C(=O)N4CCC(O)CC4)[C@@H]31)O2 100124834 QIZZSSZJWRBTRM-QSMXQIJUSA-N 355.434 2.338 0 40 FEAB Cn1ccnc1CN1CCOC[C@@]2(C[C@@H](CNc3ccccc3)CO2)C1 107243479 OWJVHMMTWBUSTI-FXAWDEMLSA-N 356.470 2.140 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn(-c2ccccc2)nn1 37176189 JFHAMFXIZZOOQR-UHFFFAOYSA-N 353.357 2.117 0 40 FEAB CCn1c(Sc2nn3c(=O)cc(C)nc3s2)nnc1-c1ccco1 23185292 LTMPGQXJLIPEDU-UHFFFAOYSA-N 360.424 2.482 0 40 FEAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1F 24014232 BAGQNHHGMLRGKQ-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC1 24748661 XWBQXCPNJZKERV-UHFFFAOYSA-N 350.465 2.115 0 40 FEAB Cc1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)nn1-c1ccc(F)cc1 47342843 OOROWQOFRIVARW-UHFFFAOYSA-N 364.344 2.147 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cnc2c(c1)c(C)nn2C 58168862 PGDXTQYTYZCIOG-MRXNPFEDSA-N 350.378 2.021 0 40 FEAB Cn1cc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cn1 58167267 DGZCJSPXWACHSR-UHFFFAOYSA-N 367.236 2.325 0 40 FEAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 58195477 RYBRVVQZOHTOEN-UHFFFAOYSA-N 364.389 2.303 0 40 FEAB COCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10324892 OWLIZPDKVUDUBP-AWEZNQCLSA-N 374.462 2.203 0 40 FEAB Cc1ccc(NC(=O)CCNC(=O)c2cc(C)nc3c2c(C)nn3C)nc1 58201391 UQVOEPCIHLBAMP-UHFFFAOYSA-N 366.425 2.047 0 40 FEAB O=C1C2=C(c3cc(O)ccc3O)CCCN2C(=O)CN1Cc1ccccc1 2103242 JTTHFTJLFXCTMO-UHFFFAOYSA-N 364.401 2.474 0 40 FEAB biogenic CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 28208096 QTILDYMCBGZGSO-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCCCCOc1ccccc1 48253770 BSTMQPNIFMTOPD-UHFFFAOYSA-N 351.406 2.372 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)c1ccc(Cl)cc1 3320677 PAHYTXGHUREYJS-UHFFFAOYSA-N 373.825 2.364 0 40 FEAB CN(CC(=O)NCc1cccnc1)C(=O)c1ccc(Br)s1 48355454 ZCSQVPOBBDAVQY-UHFFFAOYSA-N 368.256 2.294 0 40 FEAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1F 12852800 ATUWLIVNGUTSIC-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB CCN(CCCNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 8729176 IMXVHYXBFPBCJI-UHFFFAOYSA-N 350.426 2.309 0 40 FEAB CCn1c(Cc2ccccc2)nn(CN2CCCC[C@@H]2C(N)=O)c1=S 8734105 AGSPQAUUSALFBL-OAHLLOKOSA-N 359.499 2.322 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1COc2ccccc2O1 38622234 IYNAPPLXHWCXII-PBHICJAKSA-N 374.462 2.078 0 40 FEAB COc1ccc(CCNC(=O)CSCC(=O)NCc2ccccc2)cc1 8851561 JMPTVQFPAGSGCU-UHFFFAOYSA-N 372.490 2.404 0 40 FEAB O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCOCC1 8881929 CLBFYLDLEZAIJD-UHFFFAOYSA-N 352.437 2.021 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 14136184 SKFZSZOHXWXDTO-HNNXBMFYSA-N 351.358 2.307 0 40 FEAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1n[nH]c2ccccc12 6649787 JYGTVMIDHYPNGX-SFHVURJKSA-N 365.389 2.320 0 40 FEAB O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1C(=O)c1ccc2c(c1)OCO2 14646864 NJTZMJYMSGEBJC-FZKQIMNGSA-N 368.341 2.359 0 40 FEAB biogenic CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccco2)CC1 4711685 AZQRRDIBWOMNRM-UHFFFAOYSA-N 357.410 2.460 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 6922563 RLZOQDXGOUUIHZ-ARFHVFGLSA-N 350.484 2.374 0 40 FEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCCC2=O)cc1 6944318 NIXOLECXQNZPGP-UHFFFAOYSA-N 364.357 2.224 0 40 FEAB Cc1nnc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 9114082 PTVGYGNOBBKLCR-UHFFFAOYSA-N 361.361 2.389 0 40 FEAB COc1cccc(Cn2cc(NC(=O)Cn3nnc4ccccc43)cn2)c1 28236492 LHXSXWXNQKEQNV-UHFFFAOYSA-N 362.393 2.323 0 40 FEAB COC(=O)[C@@H](NC(=O)COc1ccc(Br)cc1F)C(C)C 9363938 DXABNSXWOOXHNP-ZDUSSCGKSA-N 362.195 2.281 0 40 FEAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(Cl)c1OC 8112351 GMZMZXKOIQZKFP-UHFFFAOYSA-N 362.817 2.110 0 40 FEAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 8360234 ORFWMWQOBYICMK-NSHDSACASA-N 356.831 2.479 0 40 FEAB Cc1nsc(N2CCN(C(=O)/C=C/COCc3ccccc3)CC2)n1 97115147 KMWSTKASRKKTBT-VMPITWQZSA-N 358.467 2.268 0 40 FEAB CCOC(=O)c1csc(N(C)S(=O)(=O)c2cc(F)ccc2F)n1 72312872 SUODICLTXAMZGC-UHFFFAOYSA-N 362.379 2.423 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 22227317 WMQLRNQXLIFNAP-UHFFFAOYSA-N 364.442 2.485 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[C@@H]1c1ccccc1 79188565 REZBKXLWJJWOSH-VKRLORBYSA-N 356.466 2.360 0 40 FEAB Cn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 306127595 GCZKBJSZAQCUAL-DOTOQJQBSA-N 352.429 2.326 0 40 FEAB CN1CCO[C@@H](C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 502089924 CVXURNCRVPVYQQ-MRXNPFEDSA-N 372.296 2.363 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)Cn1nc(-c2ccco2)ccc1=O 61984064 NQRZXFHNJHGOMZ-CQSZACIVSA-N 367.405 2.464 0 40 FEAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(C)s3)nn1C)C2 31807781 RIFIICBMHZTACK-UHFFFAOYSA-N 371.422 2.421 0 40 FEAB Cc1ccc(CC(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)cc1C 72372106 AANCNHAFKJCBKA-UHFFFAOYSA-N 367.497 2.289 0 40 FEAB COc1ccc(-c2nn([C@@H](C)C(=O)NCC(C)C)c(=O)cc2OC)cc1 96101083 KJNLFOJIDIQCRL-ZDUSSCGKSA-N 359.426 2.261 0 40 FEAB CCN(CC)[C@@H](C(=O)N1CCO[C@@H](CO)C1)c1cccc(C(F)(F)F)c1 532869149 VQHULMKHCADTPC-HZPDHXFCSA-N 374.403 2.308 0 40 FEAB c1coc(CNc2ccnc([C@H]3COCCN3CC3CCOCC3)n2)c1 96220020 KVHTZNOZYPSMQC-QGZVFWFLSA-N 358.442 2.482 0 40 FEAB CO[C@H]1CN(CC(=O)N2CCSc3ccccc32)CC[C@]12CCCO2 257268547 MMESZNAZQIFSRD-PKOBYXMFSA-N 362.495 2.395 0 40 FEAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ncccc1O 257306881 SWJVYFIFIYCVSZ-FCNFAXOHSA-N 361.486 2.263 0 40 FEAB CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cncc(-c2cnc(N)nc2)c1 257298975 RODYKFJBIISCAL-KRWDZBQOSA-N 361.405 2.197 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 257232789 GMLBTZFEHFMDET-HNNXBMFYSA-N 366.425 2.036 0 40 FEAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260840564 WILXQKKHEHUQRE-HNAYVOBHSA-N 372.446 2.238 0 40 FEAB CCc1nn(C)c2n[nH]c(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)c12 607909621 PODKXIUJWGGDSA-UHFFFAOYSA-N 367.388 2.365 0 40 FEAB Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)s1 647701309 GVZZWQSMEADVSK-GXSJLCMTSA-N 364.402 3.027 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](COc2cccnc2)C1 575406396 OJPWEOFDBUGRKT-INIZCTEOSA-N 350.378 2.260 0 40 FEAB O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101130 GSLSTTRZPFZGSA-KRWDZBQOSA-N 364.396 2.106 0 40 FEAB Cc1cc(F)ccc1CC(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093410 VDXNWMUHBAQNAQ-QGZVFWFLSA-N 354.372 2.393 0 40 FEAB CC[C@@H](C(=O)N1CCC(c2ccnc3nnnn23)CC1)c1ccccc1 72341939 NXCVPFWYALBJDI-MRXNPFEDSA-N 350.426 2.419 0 40 FEAB COCCNc1c(-c2cc(OC)c(OC)c(OC)c2)nc2cnccn12 12113817 MCDQWOISUGJAAQ-UHFFFAOYSA-N 358.398 2.480 0 40 FEAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)N4CCCC4)nc3c2c1C 12182011 OARVVCJGFJBXJF-UHFFFAOYSA-N 371.466 2.222 0 40 FEAB Cc1ccc(NC(=O)c2nnc(CN3CCC[C@@H]3C(=O)N(C)C)s2)cc1 12908224 FEMYGDFLQHEMPV-CQSZACIVSA-N 373.482 2.151 0 40 FEAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1 14121663 FNCAZLLSCVDMPR-UHFFFAOYSA-N 350.484 2.443 0 40 FEAB CS(=O)(=O)c1ccc(CC(=O)N2CCc3ncc(Cl)cc3C2)cc1 19573406 ZBIUOCDGEBNKPW-UHFFFAOYSA-N 364.854 2.266 0 40 FEAB CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CC2)C1 19703517 JOCSCSBVLALVNP-FQEVSTJZSA-N 353.422 2.401 0 40 FEAB CN(C(=O)c1cnn(C)c1)C1CCC2(CC1)CNCc1ccccc1O2 19290524 JIFHHCRZSJPGPE-UHFFFAOYSA-N 354.454 2.356 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 5797812 YUMNKJKWTUZHBX-HXUWFJFHSA-N 373.453 2.111 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)Cc5ccccc5)C[C@H]4C3)n1)CCC2 1888885469 KIMOPTUFXHIWPK-ROUUACIJSA-N 362.477 2.411 0 40 FEAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3F)CC2)n1 1889119436 HPVGVWCMFYULBO-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 4940775 LUXOCJGYSMPSIY-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 2055835291 PBOHYLJULDZFMW-IBGZPJMESA-N 367.409 2.239 0 40 FEAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)C(=O)c1c[nH]c3ccccc13)nn2C 35597811 YPVYHGKEZJROGD-SECBINFHSA-N 351.366 2.169 0 40 FEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C2CCSCC2)no1 575615639 FICLEAGRSFSKJH-JTQLQIEISA-N 370.475 2.210 0 40 FEAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19078835 OHJRNECISALXGE-CXAGYDPISA-N 370.428 2.392 0 40 FEAB O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19292352 PEQAGKXRAIFZAN-KRWDZBQOSA-N 366.469 2.092 0 40 FEAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2cccc(C)c2)CC1 40017922 CXJQNJXOQTVAOM-IBGZPJMESA-N 373.497 2.061 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 40051183 OAYWLLKGGOIBQK-JTQLQIEISA-N 367.427 2.193 0 40 FEAB COc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 40106944 NUGRHPDIZZOXBN-UHFFFAOYSA-N 373.840 2.466 0 40 FEAB O=C(COC(=O)[C@H]1CCCN(c2ncccn2)C1)NC1CCCCCCC1 30832999 YBKRHJOZCKFYRB-INIZCTEOSA-N 374.485 2.465 0 40 FEAB COc1ccc(-c2noc(COC(=O)CNC(=O)c3ccccc3)n2)cc1 8447376 RDJKINRSDFTWCI-UHFFFAOYSA-N 367.361 2.218 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCS2(=O)=O)cc1 32808536 LYVOOWOTAUKGSP-UHFFFAOYSA-N 374.418 2.250 0 40 FEAB CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 3009225 YGUVIHHRSRVKBT-UHFFFAOYSA-N 351.403 2.424 0 40 FEAB CC(=O)N1CCN(Cc2cc3c(cc2OC(F)F)OCO3)C(C)(C)C1 96003633 LSAQZHWRGQMLON-UHFFFAOYSA-N 356.369 2.459 0 40 FEAB CCOC(=O)[C@@](NC(=O)N1CCOCC1)(c1ccccc1)C(F)(F)F 4208154 IWQZRRLSGXFXHM-HNNXBMFYSA-N 360.332 2.049 0 40 FEAB COc1cccc(CNC(=O)CSc2nc(=O)[nH]c3c2CCCC3)c1 4316946 VQKILXZHAUKVHG-UHFFFAOYSA-N 359.451 2.066 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12 694678 IOVGLDIRFHJORF-MISXGVKJSA-N 371.256 2.256 0 40 FEAB O=S(=O)(O)CCCN1CCN(Cc2csc3ccccc23)CC1 22803676 BPQAJLZYTINFJJ-UHFFFAOYSA-N 354.497 2.297 0 40 FEAB COc1cccc2sc(N3CCN(C(=O)c4cc(C)nn4C)CC3)nc12 9122564 ZEDKQHOHWGHVIZ-UHFFFAOYSA-N 371.466 2.309 0 40 FEAB COc1ccc(OC)c(NC(=O)c2nnn3c2nc(O)c2ccccc23)c1 2957601 NKOJYDAAXFWROC-UHFFFAOYSA-N 365.349 2.253 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCC3)C2=O 23040835 LOWWEYRRJQNGCY-DYZYQPBXSA-N 362.455 2.071 0 40 FEAB NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C(F)(F)F)c2)C1 57327544 RRYNVZHPDZXGJC-ZCFIWIBFSA-N 351.122 2.306 0 40 FEAB CN1C(=O)N(C[C@H](O)COCc2ccccc2F)C(=O)C12CCCCC2 24098417 LVKTUCJWBXOFMO-HNNXBMFYSA-N 364.417 2.300 0 40 FEAB CN1C(=O)c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1=O 24488109 PBCHBUSWZHFFJR-UHFFFAOYSA-N 363.329 2.319 0 40 FEAB C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@@H](CCO)c1ccccc1 97164807 AUIZEZYAVDXLJZ-BBRMVZONSA-N 356.426 2.033 0 40 FEAB CN(C)C(=O)COc1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1 55871792 BUHCIFJWPUOIPS-UHFFFAOYSA-N 363.364 2.482 0 40 FEAB COc1ccccc1CCNC(=O)CN1CCN(c2ccccc2)CC1 57392221 MUHRHZWTHYBIOU-UHFFFAOYSA-N 353.466 2.176 0 40 FEAB CCc1nnsc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 26549856 ISZUOPQCXCHKFA-UHFFFAOYSA-N 364.858 2.352 0 40 FEAB O=C(NCc1ccco1)[C@H]1CN(Cc2cccc(F)c2F)[C@@H]2CCO[C@H]12 108530562 MRMCYTMIHCMNHE-YXJHDRRASA-N 362.376 2.464 0 40 FEAB O=C(c1ccc(Br)o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2090832 VNMCQZBGWMGQJX-MNOVXSKESA-N 363.211 2.463 0 40 FEAB biogenic Cc1nc2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 10783952 GBQXAAOANBJVOQ-QFBVAWSSSA-N 367.430 2.350 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)N2CCc3ccccc3C2)c1 3269436 HDPVWPHWPBRFBC-UHFFFAOYSA-N 355.390 2.446 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 58316562 FZTQFZPQSGILIB-HZPDHXFCSA-N 370.902 2.374 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(C(N)=O)c1 12672894 GFEZNTVUOYJYDT-UHFFFAOYSA-N 362.389 2.409 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 45134004 XGCIZLUQKNWBSY-KGLIPLIRSA-N 350.426 2.447 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1C(=O)c2ccccc2C1=O 10891228 BUMKNTIFVKPHPJ-SJKOYZFVSA-N 367.357 2.054 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 58863271 JESYSTIZDKBLHG-UHFFFAOYSA-N 354.370 2.001 0 40 FEAB CSc1ncc(Cl)c(C(=O)OCc2cc(=O)n3ccccc3n2)n1 11575183 UMTIMIQRXVSVPV-UHFFFAOYSA-N 362.798 2.217 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1COc2ccccc2C1 48374900 PBENVQKHTAXRCE-QGZVFWFLSA-N 366.417 2.349 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2nn(C(C)C)c(=O)c3ccccc23)no1 3414327 KMUOCRSUJOHGJL-UHFFFAOYSA-N 370.365 2.069 0 40 FEAB NC(=O)COc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 3652936 KZIKIKCDMDDKGW-NVNXTCNLSA-N 371.780 2.301 0 40 FEAB COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1 3640625 QUWHLOBHPRYVHJ-LLVKDONJSA-N 351.380 2.239 0 40 FEAB in-vitro COc1c(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c(C)nn1C 92005133 AJEDFBZMHQDRLK-OAHLLOKOSA-N 357.458 2.291 0 40 FEAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 4109637 GNMBHDXREXDVBK-UHFFFAOYSA-N 372.450 2.075 0 40 FEAB COc1ccc(-n2nnnc2SCc2csc(NC(C)=O)n2)cc1 8719233 QSFSUQIYXUUXQB-UHFFFAOYSA-N 362.440 2.378 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 4308339 NIMLHUWWSSARDY-UHFFFAOYSA-N 353.806 2.398 0 40 FEAB Cc1cc(C(=O)NCCCOc2ccccc2)cc(S(N)(=O)=O)c1C 14016663 RZJZMIKAPKVTTA-UHFFFAOYSA-N 362.451 2.150 0 40 FEAB Cn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccncc1 14138675 CWGGUHVWDASPCO-UHFFFAOYSA-N 350.411 2.145 0 40 FEAB Cc1cc(=O)n2nc(CN[C@@H](C)c3ccc(-n4ccnc4)cc3)sc2n1 24988098 HVLSTJUUTHJRJC-ZDUSSCGKSA-N 366.450 2.496 0 40 FEAB CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 4615270 HMFCECSOZYWREN-UHFFFAOYSA-N 369.475 2.372 0 40 FEAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)c1ccccc1 9365589 IHCCNEWXZNBMEB-SFHVURJKSA-N 365.433 2.196 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1(C(=O)O)CCCC1 8937889 LNTRZOUAPAKQKH-UHFFFAOYSA-N 365.382 2.464 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(C)cc(N)n2)cc1OC 7177472 NKQJYGSZXCFQRV-NSHDSACASA-N 362.455 2.181 0 40 FEAB COc1ccc(OC)c(NC(=O)CCCc2nnc3ccc(OC)nn23)c1 71285807 LTVRIWKEFCUAGC-UHFFFAOYSA-N 371.397 2.112 0 40 FEAB COc1ccc(C(=O)NC(=O)CN(C)CCOc2ccc(F)cc2)cc1 16046617 QUPUPWPLXLSEIF-UHFFFAOYSA-N 360.385 2.102 0 40 FEAB C[C@@]1(C2CCCCC2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 8039673 NOGQWQNLJFRQTR-FQEVSTJZSA-N 355.438 2.467 0 40 FEAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1CO 81476699 VXQFFBNUDFCNMF-CHWSQXEVSA-N 361.364 2.373 0 40 FEAB CC(C)c1c(C(=O)N[C@H]2CCC(=O)NC2=O)cnn1-c1cccc(Cl)c1 84622411 UORRPJQGDZXEBD-AWEZNQCLSA-N 374.828 2.184 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCCn1ccnc1 95427838 SDYWERSFNQLEIP-KRWDZBQOSA-N 371.485 2.069 0 40 FEAB CCn1nc(C(=O)Nc2cccc(CN3CCSCC3)c2)ccc1=O 95956683 ZAHVVWYMTOHICK-UHFFFAOYSA-N 358.467 2.064 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc(F)cc2)c1C 9951837 ZBYAFYFYUHUNPT-UHFFFAOYSA-N 362.357 2.030 0 40 FEAB COC(=O)NCCCC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 89401114 OLKBYUIKYPUSME-KBPBESRZSA-N 374.359 2.476 0 40 FEAB CSc1nccn1-c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 75108188 XWVZQUIZUKRJPN-CQSZACIVSA-N 354.439 2.451 0 40 FEAB CCNS(=O)(=O)CCNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 75108269 SXIXWDXBEUNREC-CYBMUJFWSA-N 366.405 2.255 0 40 FEAB Cn1ccnc1[C@H](O)[C@@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 89756780 XPVRHHJCHQCMGR-VQIMIIECSA-N 362.518 2.395 0 40 FEAB CN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 20121089 PHVUSCOJWUPTFS-IBGZPJMESA-N 366.444 2.197 0 40 FEAB CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C1CCN(Cc2ccccc2)CC1 556402249 BADBTCDZPBUSGX-QUCCMNQESA-N 369.509 2.414 0 40 FEAB CC(C)(C)c1nc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)no1 36735364 NARYJUUDLSKMFS-VIFPVBQESA-N 372.472 2.020 0 40 FEAB COc1ccc(-c2cc3nc(C)cc(NCCN4CCOCC4)n3n2)cc1 35315212 WCAXBDAOJPKXQQ-UHFFFAOYSA-N 367.453 2.457 0 40 FEAB O=C(CN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1)N1CCCC1 37198729 XFACUTRTRFARBH-HXUWFJFHSA-N 370.497 2.087 0 40 FEAB CCN(CC)C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325411 CXCGZOYUVXEOQO-GFCCVEGCSA-N 367.496 2.453 0 40 FEAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241672 VACMKVYGCNDYFS-IAGOWNOFSA-N 362.426 2.444 0 40 FEAB COc1ccc(O[C@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 31039752 LFJDJPHNXUGMFZ-CQSZACIVSA-N 372.421 2.477 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@](C)(O)CCc1ccccc1 62021495 PRDBEKCYXRDOSR-OAQYLSRUSA-N 370.449 2.442 0 40 FEAB COc1cccc([C@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC(=O)N2C)c1 72405132 CBYOHLFGLIRGGZ-KSSFIOAISA-N 364.405 2.152 0 40 FEAB CCOC(=O)c1nnsc1NC(=O)N1CCC(N2CCCCC2)CC1 33435881 HXEHDDQYRUGGAF-UHFFFAOYSA-N 367.475 2.197 0 40 FEAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 78561686 JTSMXPZSBDQTNT-UHFFFAOYSA-N 360.460 2.493 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)nn1)N1CC[C@H](n2cc(Cl)cn2)C1 566590789 KCVPNYWMAOXLJB-VIFPVBQESA-N 360.727 2.824 0 40 FEAB CCOc1ccc(C(N)=O)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224797825 KLWPJCJBZLVBNP-UHFFFAOYSA-N 366.414 2.290 0 40 FEAB CO[C@@H](CS(=O)(=O)N1CCC[C@@H](CC(=O)O)C1)c1ccc(F)cc1 530137039 BKDFRNZGEKTUPD-WFASDCNBSA-N 359.419 2.030 0 40 FEAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 223619154 YFDNOMIWXFVUAF-UHFFFAOYSA-N 364.442 2.259 0 40 FEAB CCc1nnc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2OC)s1 96183334 IXODXCIUBWOIHK-UHFFFAOYSA-N 358.427 2.310 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC2)CCN(CC2CCCC2)C3=O)cn1 96157838 MGTPIUFRALOPOY-UHFFFAOYSA-N 356.470 2.430 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227025 HVOZTFXQJHITGU-NQIIRXRSSA-N 367.424 2.318 0 40 FEAB O=C(NC1CCCC1)N1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202986 FHPKWTYOCIEASN-UHFFFAOYSA-N 371.437 2.496 0 40 FEAB CN(C)c1nc(N2CCCC2)nc2c1CCN(Cc1cccnc1)CC2 96254588 PQZMEGADLYYJHN-UHFFFAOYSA-N 352.486 2.139 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257217360 CYPRXHHYQONEQA-INIZCTEOSA-N 351.410 2.238 0 40 FEAB CNCCOc1cccc(C(=O)N2CCCC[C@H]3CN(C(C)=O)CC[C@H]32)c1 257292240 QKQIBPCEYJWVGG-AZUAARDMSA-N 373.497 2.148 0 40 FEAB Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)o1 85561870 ZIPMZGUUABLCRX-HNNXBMFYSA-N 367.423 2.070 0 40 FEAB CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)nn2C)c1 622991303 UWRMGRHQVWYOKN-UHFFFAOYSA-N 361.345 2.485 0 40 FEAB O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@@H]([C@H]2CCCNC2)C1 647306652 CUHJMJKBHHJHFH-PKOBYXMFSA-N 363.527 2.001 0 40 FEAB Cc1cnc(N2CCN(C(=O)[C@@H](N)c3ccc(F)cc3F)CC2)s1 662737368 OLCNZIORJPNEJB-AWEZNQCLSA-N 352.410 2.078 0 40 FEAB CCCCN1CCc2[nH]cnc2C12CCN(c1cc(N(C)C)ncn1)CC2 91845630 QBXXYFWRLXJWJP-UHFFFAOYSA-N 369.517 2.420 0 40 FEAB O=C(NCCn1ccc(-c2ccccn2)n1)c1cc(=O)c2ccccc2o1 96098891 DMOILAROVBFOAY-UHFFFAOYSA-N 360.373 2.482 0 40 FEAB O=C(NCCn1ccnc1-c1ncccn1)NCc1ccc(Cl)cc1 96103935 DTKZLONKFUYSEZ-UHFFFAOYSA-N 356.817 2.493 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCC[C@@H](O)CC1 297263776 KECDHUBPVWJIJT-DOMZBBRYSA-N 369.824 2.141 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)c1cccc(S(N)(=O)=O)c1 665503308 HKWFFBRTOWREDY-PIGZYNQJSA-N 362.426 2.380 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@@H](O)C1)C2 585103478 GQQNMEYXRSGOGW-RTBURBONSA-N 358.482 2.155 0 40 FEAB CO[C@H]1[C@H](C(=O)N2CCC(c3ccncc3)CC2)CC[C@H]1N(C)C(C)=O 585280594 QHEQCXYXEGLHOT-QRVBRYPASA-N 359.470 2.060 0 40 FEAB O=C(Cn1ccc(C2CC2)n1)N1CCC[C@@](O)(COc2ccccc2)C1 585275577 GWXRUDXTUBAWLW-FQEVSTJZSA-N 355.438 2.193 0 40 FEAB Cc1c(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615121805 OAXJEHOPPPNWHG-UHFFFAOYSA-N 372.444 2.266 0 40 FEAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\N1CCOCC1)N1CCCOC1 828688 MKATZZLCJNCCIK-ZRDIBKRKSA-N 372.636 2.330 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@H](C2)[C@@H]1COc1ccc(F)cc1 12085382 FBNRYCJPHOMJAM-KMFMINBZSA-N 354.447 2.398 0 40 FEAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2cncn2)cc1 12145676 NIUBOQZCCPGLBE-QGZVFWFLSA-N 366.425 2.056 0 40 FEAB COc1ccc([C@H]2NC(=O)N3[C@H](c4ccc(OC)cc4)NC(=O)N23)cc1 17004203 LFANLKCCGBGRGL-IYBDPMFKSA-N 354.366 2.367 0 40 FEAB Cc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)s1 19217253 ILCZPXQTOZVVAB-UHFFFAOYSA-N 353.451 2.198 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2cccc(F)c2F)CC3)cn1 19239080 KLADLUJFONPQOA-UHFFFAOYSA-N 369.375 2.372 0 40 FEAB COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1 19571514 NOEWYNKFGHBGCD-UHFFFAOYSA-N 351.428 2.082 0 40 FEAB COCCN(CCCN(C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 36396644 UKUQVNOHZNTJSY-UHFFFAOYSA-N 354.516 2.154 0 40 FEAB O=C(c1ccno1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843361 FOJACBXQZXKZEF-GHMZBOCLSA-N 352.316 2.297 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4ccsc34)CC2)n1 1888890396 SMRGHTDWMZBOBS-UHFFFAOYSA-N 364.381 2.451 0 40 FEAB Cc1ccc(NC(=O)c2nccnc2N)cc1I 24002066 VRTVMXZTKPEPAU-UHFFFAOYSA-N 354.151 2.224 0 40 FEAB Nc1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cs1 78547056 HREDSJUJFIXYOP-UHFFFAOYSA-N 359.860 2.067 0 40 FEAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N(C)C)cc1 10331926 UNIPRUREMJVEPQ-INIZCTEOSA-N 369.421 2.081 0 40 FEAB Cn1cccc1C(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751397 RSGXXCKTXCSGDJ-UHFFFAOYSA-N 366.465 2.344 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(C)nn2)C1 585234374 MZTGRCLKRCDSGV-AWEZNQCLSA-N 354.410 2.427 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 7355052 LENHCMUPVXWWNJ-INIZCTEOSA-N 351.878 2.066 0 40 FEAB Cc1cc(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cs1 19571639 HPAZYJBRIGYYSC-ZDUSSCGKSA-N 355.467 2.390 0 40 FEAB O=C(NCC(=O)N1CCCC1)Nc1cccc(I)c1 40098286 QRIYPYVBDOZOQB-UHFFFAOYSA-N 373.194 2.035 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1cc(C)ccc1C(N)=O 40024560 PVOWAUQUIBJSRZ-UHFFFAOYSA-N 370.405 2.250 0 40 FEAB O=C(NCCN1CCc2ccccc21)C1CCN(C(=O)c2ccco2)CC1 40150322 ACVKHOCEDSBWNO-UHFFFAOYSA-N 367.449 2.311 0 40 FEAB COc1ccc(CCC(=O)NCCn2ncc3ccccc3c2=O)cc1 40818896 IKSZWLNSQYNLBI-UHFFFAOYSA-N 351.406 2.154 0 40 FEAB COc1ccc(-c2noc(CCNC(=O)COc3ccccc3)n2)cc1 32624362 XEBHUWMZBHWBDB-UHFFFAOYSA-N 353.378 2.483 0 40 FEAB Cn1c(SCc2nnnn2-c2ccccc2)nc2sccc2c1=O 29865074 CKDYBOLXTGELIG-UHFFFAOYSA-N 356.436 2.263 0 40 FEAB O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 33117499 MYIQVNJHQASVAI-RTBURBONSA-N 364.445 2.198 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1 58646013 KQXBADUKTCJKIS-UHFFFAOYSA-N 359.856 2.222 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H](c3ccco3)N(C)C)ccc21 23236332 VLIXVWMSDUKNRI-QGZVFWFLSA-N 368.437 2.351 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ccc(O)cc2)CC1 23381600 GKYKVMWFVLIDPV-UHFFFAOYSA-N 372.469 2.117 0 40 FEAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCNC(=O)C1CC1 54671417 SBBVXNNVBIUOEJ-UHFFFAOYSA-N 363.364 2.195 0 40 FEAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 105546064 OGSSBGVCTWXOGL-XEZPLFJOSA-N 367.467 2.330 0 40 FEAB Cn1cnnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24267797 KHACTYJDIFEZOW-CQSZACIVSA-N 374.466 2.432 0 40 FEAB COc1ccc(-c2noc(CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1 100459017 DMUJLLVOGVXCLF-HUUCEWRRSA-N 355.394 2.463 0 40 FEAB O=C1CSC(=O)N1[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28284050 BUYPLFRPFOWGBK-QWHCGFSZSA-N 372.443 2.111 0 40 FEAB COc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 43227199 JESBXYUBMLVITR-UHFFFAOYSA-N 363.439 2.267 0 40 FEAB C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc2N(C)C1=O 106921089 PNELLXZGBHGHKV-AYOQOUSVSA-N 371.481 2.276 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)[C@H]4CCOC4)CC3)CC2=O)c1 108532280 PZWBDNJWWMSBIL-SFHVURJKSA-N 356.466 2.373 0 40 FEAB COc1cc(OC)nc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1 97020303 CJPPQTFDVYMPBZ-ZDUSSCGKSA-N 361.377 2.033 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213836 YANRWBSULLZYRN-LJCCNALRSA-N 368.518 2.353 0 40 FEAB COc1ccc(C)cc1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198292 OODPISZAAYXJIE-UHFFFAOYSA-N 373.800 2.038 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccccc1I)C1CC1 47920986 OETWQQAZFAOSLK-CYBMUJFWSA-N 358.223 2.361 0 40 FEAB CC1CCN([C@H](C)CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 58170920 YINUSISLSHQFCK-OAHLLOKOSA-N 372.444 2.222 0 40 FEAB CC(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3241563 HICOCCBYOHQPRN-UHFFFAOYSA-N 374.890 2.137 0 40 FEAB COc1ccccc1[C@@H]1c2c(-c3ccco3)nnc(O)c2Nc2nnnn21 10297411 LGFCWRYEIVUMBV-OAHLLOKOSA-N 363.337 2.132 0 40 FEAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1F 58218715 ZUOPOGGSDJQLGV-UHFFFAOYSA-N 358.341 2.175 0 40 FEAB Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108532883 PAAPQWNEJHDVMJ-NVXWUHKLSA-N 352.429 2.326 0 40 FEAB Cc1csc(CCNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)n1 58223245 STSKAYHOFJMLRS-UHFFFAOYSA-N 370.434 2.195 0 40 FEAB COc1cc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1C 28715014 KJXWCNDHUDEFCJ-UHFFFAOYSA-N 351.406 2.441 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCO1 11454697 RWKGIADDBROCJZ-ZDUSSCGKSA-N 350.846 2.440 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)nn12 13012895 HFVSBSKWTDGEFF-UHFFFAOYSA-N 352.398 2.213 0 40 FEAB COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 13566278 CESBUDCKGYCTQM-FZKQIMNGSA-N 373.453 2.208 0 40 FEAB COc1ccccc1CNC(=O)Cn1c(C)nc2cc3c(cc21)OCCO3 64794949 YWXPXSYWLKUYJN-UHFFFAOYSA-N 367.405 2.441 0 40 FEAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 8971186 XSJPIHQMWIFBAQ-KDOFPFPSSA-N 361.829 2.338 0 40 FEAB O=c1/c(=C/c2cccnc2)sc2nc(/C=C/c3ccc(F)cc3)nn12 5180543 BEAATZVUGGEPEA-VQGCXIRGSA-N 350.378 2.403 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2C(C)C)c1C 9076970 HVZDXPIZQCQAPN-SNVBAGLBSA-N 351.432 2.349 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCn2cccc2[C@@H]1C 14186916 SBDXZXCFFRIORB-INIZCTEOSA-N 354.454 2.236 0 40 FEAB COc1ccccc1CNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14161472 VYKSISWMLDELOO-CQSZACIVSA-N 367.405 2.169 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccccc1C(N)=O 14256873 PBFBYIWNNUGRKR-UHFFFAOYSA-N 370.434 2.389 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1 408554562 CABRYPCMRZAFRN-LSDHHAIUSA-N 368.499 2.401 0 40 FEAB CC[C@@H](c1nnc(SCC(=O)NC)n1-c1ccc(OC)cc1)N(C)C 66316864 SQRMMIBRTSUVCB-AWEZNQCLSA-N 363.487 2.127 0 40 FEAB Cc1cc(OCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 6842024 NYORZNWYAYTAAZ-ZDUSSCGKSA-N 357.859 2.205 0 40 FEAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1[C@H]1CCS(=O)(=O)C1 6911231 YTDSDOVYOOXWAO-ZDUSSCGKSA-N 365.480 2.230 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408598136 XGEVMPKNKRWKON-KGLIPLIRSA-N 362.451 2.239 0 40 FEAB NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1F 68396199 OMTUKHCUSMUEOE-KGLIPLIRSA-N 361.417 2.292 0 40 FEAB O=C1c2ccccc2C(=O)N1CCc1nnn(Cc2ccc(Cl)cc2)n1 8075059 DMXDWCOKIMXIDQ-UHFFFAOYSA-N 367.796 2.214 0 40 FEAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8379546 SXOIXZJAEIWTHV-KSSFIOAISA-N 358.463 2.329 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)C1(c2ccccc2)CCC1 8545419 KYGHVDJWYXRHBR-UHFFFAOYSA-N 358.419 2.451 0 40 FEAB CC(=O)Nc1nc(CN2CCN(c3ncnc4sccc34)CC2)cs1 97131609 OXDWTNBALNDUPE-UHFFFAOYSA-N 374.495 2.428 0 40 FEAB C[C@@H](NCc1cnn([C@@H]2CCS(=O)(=O)C2)c1)c1ccc(F)cc1F 79100029 YGKUCKYTRQJEJQ-BXUZGUMPSA-N 355.410 2.372 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)N(Cc1ccccn1)C1CC1 79182209 ACBJREQOAPSHOO-UHFFFAOYSA-N 367.453 2.187 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC)CC)cc1Cl 408606049 LDNGUMJQIIYAPY-NSHDSACASA-N 362.879 2.274 0 40 FEAB CC(C)[C@H](Sc1ccc(O)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 95957010 NVRGGZAEVXFTMZ-GOEBONIOSA-N 357.497 2.202 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 95985655 CGDOXVMFUQXBLH-YMXBGEKHSA-N 361.471 2.447 0 40 FEAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[C@@H](N(C)C)C1 89314019 HVHGFHYKPUJSLH-LSDHHAIUSA-N 363.527 2.470 0 40 FEAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306123736 AUYBBUUAELDSMO-DLBZAZTESA-N 362.389 2.198 0 40 FEAB O=C1CO[C@H]2CN(CCCc3ccccc3)C[C@H]2N1Cc1ccccn1 67897150 HMJYNXBMRUQFOU-UXHICEINSA-N 351.450 2.126 0 40 FEAB biogenic,in-vitro Cc1c(CCC(=O)N2CCC[C@@H]2C(=O)O)c(=O)oc2c(C)c(O)ccc12 2108093 SXMNRLQIXOVXCY-CQSZACIVSA-N 359.378 2.124 0 40 FEAB biogenic Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2nccn3cnnc23)C1 516589758 OIANPAYJJZKITE-JTQLQIEISA-N 351.336 2.261 0 40 FEAB CN1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1cnn(C)c1)C2 306131723 KNVMSWADMIFVQW-QGZVFWFLSA-N 360.502 2.163 0 40 FEAB Cc1c2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2nn1C 32647438 VMYOJROLQPHMAE-UHFFFAOYSA-N 365.315 2.096 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCc3ccccc31)O2 30946991 GJAUVBJMAMTBCD-SFHVURJKSA-N 372.446 2.111 0 40 FEAB Cc1ccc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)o2)cc1 72260084 NZPKECWKQWOCKK-UHFFFAOYSA-N 364.423 2.098 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)c1 41095420 PFVQZWMTQVMWOG-UHFFFAOYSA-N 356.488 2.291 0 40 FEAB N[C@@H]1CC[C@@H]2CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]21 564570919 HXOOJMKJTKILSU-RAEVTNRLSA-N 353.388 2.480 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)[C@@H](O)c2ccc(O)cc2)c1 195528638 LHMBBLYSXFOQBR-CFSSXQINSA-N 359.422 2.046 0 40 FEAB Cc1nc2nc3ccn(CCCO)c(=O)c3c(-c3ccccc3Cl)n2n1 40398385 MYHAKSNMEZOCFF-UHFFFAOYSA-N 369.812 2.450 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)s1 225459488 FFSAUPSBSGKTTJ-SNVBAGLBSA-N 354.457 2.235 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccs2)ccc1OC 223880247 XBFBTXUOZDDSIM-UHFFFAOYSA-N 368.480 2.327 0 40 FEAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]21 514289570 LERSOXMPAYLFFF-AEFFLSMTSA-N 369.396 2.253 0 40 FEAB biogenic,in-vitro CCOC(=O)c1sc(NCC(C)C)nc1CSc1nnnn1C 98087244 DVMOLJIOIWTVPZ-UHFFFAOYSA-N 356.477 2.204 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)o1 96051527 KFISNKCKEQLLDU-MRXNPFEDSA-N 354.410 2.193 0 40 FEAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)Nc4cccnc4)OC[C@H]3C2)no1 96207621 PIJWZPNVUDTUNS-OLMNPRSZSA-N 356.426 2.244 0 40 FEAB Cn1c(CO[C@H]2CN(C(=O)c3cccnc3)C[C@H]2F)nc2ccccc21 96111989 SXTAQFXYQGWQRZ-PBHICJAKSA-N 354.385 2.348 0 40 FEAB biogenic,in-vitro Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4nccn4C)[C@@H]3C2)n1 96250709 VRNUWDNDZPVIPC-QXAKKESOSA-N 356.470 2.320 0 40 FEAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccsc2)[C@H](C(=O)O)C1 96198751 RNLDOUCUTGNKBY-CVEARBPZSA-N 359.451 2.333 0 40 FEAB COc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ccccn2)c1 248140608 PRUVOAHEHWIPCQ-MRXNPFEDSA-N 354.406 2.400 0 40 FEAB CS(=O)(=O)c1ccc([C@H](O)Cn2cncc(-c3ccccc3)c2=O)cc1 585079891 CYKWARYCGWNKJV-GOSISDBHSA-N 370.430 2.047 0 40 FEAB CC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)s2)cc1 42316714 HKSIBHSFRCMYFD-UHFFFAOYSA-N 353.421 2.143 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(N4CCCCC4)nc(O)c3C2)CC1 257241332 HXRHSLJLUNUJIR-SHTZXODSSA-N 374.485 2.262 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NCC[C@@H]2CCCN2C)cn1 257332690 XYHGTGPYUKYWCJ-KRWDZBQOSA-N 355.486 2.148 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 257200523 ADRIHOBNFXQSOX-ZDUSSCGKSA-N 350.426 2.490 0 40 FEAB COC(=O)C1=CC[C@@H]2[C@@H](C(=O)OC)CC[C@]2(C)CC(O)=C1C(=O)OC 263595628 DUFOOXBFUWJHHD-GLUANWCPSA-N 352.383 2.070 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)CN(C)C[C@H]2C[C@@H](O)C2)cc1OC 626045657 WBCUUZXLCUSAOX-UAGQMJEPSA-N 362.470 2.070 0 40 FEAB CCCN1CCN(C(=O)c2nnn([C@H]3CCNC3)c2C)c2ccc(F)cc21 662806517 CQDSHMAXNUGNCY-HNNXBMFYSA-N 372.448 2.137 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)C1 663479632 INZFDGGIZYDPNA-OQIJWPOYSA-N 361.461 2.120 0 40 FEAB Brc1cnc(OC[C@@H]2CCCN(c3ncccn3)C2)nc1 1775995910 NAFNDTDYNRPALS-LLVKDONJSA-N 350.220 2.325 0 40 FEAB CN(C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccco1 42764032 UJPFLWUUIQRKOC-CYBMUJFWSA-N 363.849 2.356 0 40 FEAB Cc1cncc(CN2CC(F)(F)C[C@]3(CCN(CC4CC4)C3=O)C2)n1 585093234 JZMNKBVDPVXSCY-QGZVFWFLSA-N 350.413 2.255 0 40 FEAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCCC[C@@H]2CCO)CC1 69249620 SPLMCFBDIXPGGL-LJQANCHMSA-N 373.497 2.101 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3nccs3)C2)c1 585320427 BLZZTOYBBLEHTQ-CYBMUJFWSA-N 352.437 2.188 0 40 FEAB COc1ccccc1CC(=O)N[C@H](C)Cn1nc2c(cc1=O)CCCCC2 12084777 ROPMISSKNIOKNI-OAHLLOKOSA-N 369.465 2.268 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12144955 RZCJESPXJJGUIP-UKRRQHHQSA-N 359.451 2.142 0 40 FEAB O=C(CCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)NC1CC1 12337457 IWLRLMYZGRVPCC-INIZCTEOSA-N 358.438 2.234 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15358928 LTKXBWUGBPXYFT-CYBMUJFWSA-N 353.465 2.438 0 40 FEAB O=C(Cc1nc2[nH]c3c(c(=O)n2n1)CCCC3)Nc1ccc(Cl)cc1 16428287 BNDPQEWADHFKOU-UHFFFAOYSA-N 357.801 2.131 0 40 FEAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccncc2)n(N)c1=S 16778125 IJGLGILSDXRNBO-UHFFFAOYSA-N 370.438 2.227 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 17324027 NTRMBRSIZYBGLD-UHFFFAOYSA-N 366.870 2.497 0 40 FEAB Cn1nc2c(c1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1)CCCC2 19746552 DADFVOWOQMUWKX-FQEVSTJZSA-N 358.486 2.352 0 40 FEAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 9458897 ZYHNKLZVHNIPMG-LBPRGKRZSA-N 361.419 2.352 0 40 FEAB Cc1cc(OCC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)ccc1Cl 1888860198 UPERKPJFCJJHKS-HUUCEWRRSA-N 372.856 2.412 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 31528183 UKFBQPOFADBYTQ-INIZCTEOSA-N 373.478 2.334 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238826056 DTTSMPNDLPVMEK-JTQLQIEISA-N 359.411 2.170 0 40 FEAB COc1cc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccccc2)C3)ccc1O 4751855 ZSZONMPLOHEJMU-GOSISDBHSA-N 365.389 2.398 0 40 FEAB O=C(O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 11847373 DKIDUEFGXKKXNI-UTHRFFRBSA-N 354.399 2.316 0 40 FEAB biogenic COc1cccc(CN2C[C@H]3CCN(C(C)C)CC[C@H]3S2(=O)=O)c1 2055795772 UYCPZTXVZLJZPX-SJLPKXTDSA-N 352.500 2.330 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cscn2)CC1 2055730117 BLOGHRNQXBIHEJ-UHFFFAOYSA-N 362.430 2.115 0 40 FEAB CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 22608510 YZCWLXAKCWCVOV-IBGZPJMESA-N 354.450 2.451 0 40 FEAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1Cl 44003671 VHTKFZDDENZYDN-UHFFFAOYSA-N 374.865 2.413 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H](C(=O)[C@@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N12 100743884 BHNLYGBJMNKDTM-BGJDBYLFSA-N 353.418 2.442 0 40 FEAB Cc1cc([C@H](C)NC(=O)Cn2nnn(-c3cccs3)c2=O)c(C)s1 31951206 PEBRGIKIMYNVOQ-JTQLQIEISA-N 363.468 2.046 0 40 FEAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1ccc(F)cc1 51316858 VHIHRKZQKVVEDY-UHFFFAOYSA-N 369.381 2.397 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCN1CCc2ccccc2C1 37170969 YWPRDCZPCGPPJL-QRWLVFNGSA-N 352.434 2.389 0 40 FEAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nc(-c2ccco2)no1 32754343 MGUUGJAVKOJRBZ-GOSISDBHSA-N 350.334 2.223 0 40 FEAB O=C(CCc1ncc(-c2ccccc2)o1)NCC(=O)NCc1ccco1 32879749 ZOFIQECKMSKXEA-UHFFFAOYSA-N 353.378 2.300 0 40 FEAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 21822423 QERZHAUENUEPBA-UHFFFAOYSA-N 369.421 2.218 0 40 FEAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1 4862019 QKUVIOKDSIQOGR-KRWDZBQOSA-N 370.501 2.413 0 40 FEAB COc1ccc(OC)c(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1 33162032 GELWXDKIHYUWGC-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 100772366 XIFJNLLNMKCAMA-KRWDZBQOSA-N 371.416 2.230 0 40 FEAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCNC1=O 22037190 NPYPYBUMTRPDFT-LLVKDONJSA-N 355.394 2.144 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1OC 47030412 YLJWVQHYTMKEEA-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 8389819 QTWVVCWZFVVLLD-UHFFFAOYSA-N 351.366 2.480 0 40 FEAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N(C)C)nc1 22420636 MVYKBBAAVHDCJU-CYBMUJFWSA-N 362.455 2.231 0 40 FEAB O=C(c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1)N1CCCC1 22746766 LJJDRWQHRRPTAM-UHFFFAOYSA-N 370.430 2.267 0 40 FEAB O=C(NCc1ccco1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819351 OXWAIVOGFCIWGQ-QGZVFWFLSA-N 354.337 2.321 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3C(=O)C2CCCCC2)n1 100146946 BJEMUSVWQDYANB-QZTJIDSGSA-N 373.497 2.407 0 40 FEAB COc1ccccc1CCN(C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 104458850 UMEDICHCHGCKDW-INIZCTEOSA-N 356.422 2.338 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2oc1=O 908764 GWHIEAVYLLUGRG-NSHDSACASA-N 352.184 2.464 0 40 FEAB O=C(CSc1ccc(O)cc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 47895045 OPGTTZZVJWYAPP-CQSZACIVSA-N 369.508 2.443 0 40 FEAB CC1CCN(S(=O)(=O)NC2CCN(Cc3ccccc3F)CC2)CC1 56116552 ZCXTZEZJKPWEJS-UHFFFAOYSA-N 369.506 2.356 0 40 FEAB O=C(CCNC(=O)c1ccco1)OCc1ccc(C(=O)N2CCCC2)cc1 25699082 NYQLSZDSIICZNR-UHFFFAOYSA-N 370.405 2.379 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cc1 56325648 UUYPTOUSGVNIBP-KRWDZBQOSA-N 372.469 2.365 0 40 FEAB COC(=O)c1ccccc1N(CC(=O)c1ccccc1C)S(C)(=O)=O 57486385 NYBZXLMMSONSEB-UHFFFAOYSA-N 361.419 2.431 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C)CC1 26981110 HXTMJCTWIQMHHX-LBPRGKRZSA-N 365.528 2.188 0 40 FEAB O=C(NCCc1nccs1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 50450774 DDBYUFBQICPSQL-LLVKDONJSA-N 351.863 2.162 0 40 FEAB COc1ccccc1CC(=O)N1CCC(NC(=O)CC[C@H]2CCCO2)CC1 58210654 YQYCERHLHVGCFA-GOSISDBHSA-N 374.481 2.304 0 40 FEAB O=C(NCCOc1cccc(F)c1)C(=O)Nc1cccc(-n2ccnc2)c1 58209495 DJRSNQVPBJTETA-UHFFFAOYSA-N 368.368 2.145 0 40 FEAB CCN(CC)CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2130229 JWWSHHOKPITTGF-UHFFFAOYSA-N 372.469 2.237 0 40 FEAB biogenic O=C(c1ccc(Cn2cncn2)cc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 58393280 BMBTUQXEYCNAGE-KDURUIRLSA-N 370.453 2.127 0 40 FEAB Cc1cc(C(=O)Nn2cnc3ccccc32)cc(S(=O)(=O)N(C)C)c1C 12755360 CIFLBELMYUXSDW-UHFFFAOYSA-N 372.450 2.287 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1C 12864660 VDEWYEQRWSVOAR-QGZVFWFLSA-N 374.462 2.362 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C[C@H]1CCCO1 3605673 OLHQUXDSLULDGV-GFCCVEGCSA-N 361.471 2.213 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1 8895907 QXHBHKAXPJXISP-MRXNPFEDSA-N 367.496 2.288 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccc(-n2cncn2)cc1 13199387 LJQIYGIVMOORON-GFCCVEGCSA-N 372.406 2.005 0 40 FEAB O=C(OCc1nc2scc(-c3ccco3)c2c(=O)[nH]1)c1cnccn1 9762713 ZKPXPLZOSKJNMY-UHFFFAOYSA-N 354.347 2.392 0 40 FEAB COC(=O)c1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 13412598 XCLWSIWZKAURMG-SUMWQHHRSA-N 360.362 2.406 0 40 FEAB biogenic C[C@@H](Sc1nc2c(N)ncnc2n1CCOc1ccccc1)C(=O)O 4178560 GXEIYUHVXBSEDP-SNVBAGLBSA-N 359.411 2.053 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 14119413 QNVNRQYODQZOLE-KRWDZBQOSA-N 354.406 2.486 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3cccc(F)c3)oc(C)c12 14181426 OENKGCZAPDTIFI-UHFFFAOYSA-N 358.373 2.343 0 40 FEAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCOCC3)o2)cc1 14137210 UTJUUNOQTQSGAQ-LBPRGKRZSA-N 363.439 2.475 0 40 FEAB CC(=O)NCc1ccc(C(=O)NCc2ccccc2N2CCOCC2)s1 65881695 RZRMPKLNHOLNCF-UHFFFAOYSA-N 373.478 2.151 0 40 FEAB COc1cccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(C)=O)c1 5556581 RHLUVLRTZQRQFV-UHFFFAOYSA-N 352.346 2.436 0 40 FEAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5614534 ILQBXXNZILTKBV-UHFFFAOYSA-N 354.428 2.034 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1C 9667964 XJIUKIWAHXRJEI-OAHLLOKOSA-N 368.499 2.463 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1C 8327763 PUELERJOOWDKMX-LLVKDONJSA-N 351.403 2.004 0 40 FEAB CCCCN(C(=O)NC(C)(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O 8395149 KJNPSABRLHKOPZ-UHFFFAOYSA-N 353.467 2.034 0 40 FEAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)ccc21 8313025 HOBPPRHNJZJBPY-UHFFFAOYSA-N 367.409 2.171 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 69782508 KJCKWOBOHAFVMS-ACJLOTCBSA-N 362.451 2.218 0 40 FEAB Cn1cc(N2CC[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cn1 84318597 IXGPTZUYYNMBDH-GOSISDBHSA-N 364.453 2.281 0 40 FEAB C[C@]1(c2ccc(NC(=O)c3ccnc(Cl)c3F)cc2)NC(=O)NC1=O 95449043 RVJCZKYRRKMXNO-MRXNPFEDSA-N 362.748 2.181 0 40 FEAB CCOC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 95402757 BTWLLONTQFCCLJ-UHFFFAOYSA-N 368.455 2.045 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(OCC(F)F)n1 89824682 IVYZVUWSRIRKKD-LLVKDONJSA-N 366.343 2.268 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)cc1 1558038531 NTDXYNZBZRLFLG-UHFFFAOYSA-N 361.401 2.260 0 40 FEAB Cc1nc2s/c(=C\c3c(C)[nH]c4c(C)cccc34)c(=O)n2c(=O)c1C 409030533 DTWYIHVCAOCYDC-NVNXTCNLSA-N 351.431 2.379 0 40 FEAB COCc1noc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n1 513834325 RYSQIHXRIMHARP-SECBINFHSA-N 361.324 2.431 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2)C1(CO)CO 218060264 OLZSWVYYVAOEAL-HOTGVXAUSA-N 352.839 2.251 0 40 FEAB NC[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218600095 FZAWCYLHPHPMGY-IXDOHACOSA-N 369.845 2.356 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)c1coc(NC(=O)c2ccco2)n1 62023024 NIDNTPPJAIPDOT-UHFFFAOYSA-N 351.322 2.326 0 40 FEAB CC(C)c1ccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1 75166242 GWDDXACICYQCSE-UHFFFAOYSA-N 356.426 2.454 0 40 FEAB COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1OC 222406949 NLRYBZJWMOTLJF-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB O=C(Cn1cnc2ccccc21)N1CCN(Cc2cn3ccccc3n2)CC1 223810100 YLTOVAHDBPUYKH-UHFFFAOYSA-N 374.448 2.028 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCC1(N(C)C)CCCCC1 48273891 NCVLHQGVOZSASE-UHFFFAOYSA-N 360.501 2.078 0 40 FEAB CN(C)C(=O)Cc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1 48441633 KWWLSUZKVIHVLC-UHFFFAOYSA-N 369.421 2.410 0 40 FEAB CCOC(=O)c1cc(NC(=S)NCCN2CCCC2=O)ccc1Cl 225812491 QFPTVYZGBWJQTA-UHFFFAOYSA-N 369.874 2.426 0 40 FEAB CN1CCN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 40373086 KOIFOVXMMXNPPY-OAQYLSRUSA-N 354.494 2.443 0 40 FEAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1)CCCC2 225461737 PELZOSLVLFCMRK-UHFFFAOYSA-N 360.435 2.474 0 40 FEAB CCc1ncnc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1F 582119101 HYIGBWAVXGWTKK-UGSOOPFHSA-N 355.417 2.737 0 40 FEAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C3CCOCC3)C[C@H]21 514288708 WJKZSQMFKBVTFJ-ZBFHGGJFSA-N 370.371 2.402 0 40 FEAB biogenic,in-vitro O=C(c1cnoc1)N1CC[C@@]2(CN(CC3CC3)C[C@H]2COCC2CC2)C1 96216306 PGUZIMNBWZMMBT-AZUAARDMSA-N 359.470 2.275 0 40 FEAB CCn1ccnc1CN(Cc1cnc2ncccn12)[C@H]1CC12CCNCC2 583623211 VJEPRRSSMSZXRP-KRWDZBQOSA-N 365.485 2.090 0 40 FEAB NC[C@@H]1CCCn2ncc(C(=O)N3CCC(Cc4nccs4)CC3)c21 602586505 SCPPOVWVNBAIOA-AWEZNQCLSA-N 359.499 2.271 0 40 FEAB COc1cccc(F)c1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 618199935 YHVNDFUCGKXHTA-UGSOOPFHSA-N 357.385 2.179 0 40 FEAB CCc1ccc(NC(=O)C[C@@H]2CN3C(=NC2=O)N(N)c2ccccc23)cc1 618256934 ODQSEZPBZQGTJH-CQSZACIVSA-N 363.421 2.290 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3cc(Br)co3)C[C@@H](C)O2)o1 619281676 BMBSTOYPXVVEAJ-RDDDGLTNSA-N 356.176 2.336 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2coc3cc(C)c(C)cc23)C[C@H]1c1cnn[nH]1 623031903 YWKJZTNTUYTPMS-MAUKXSAKSA-N 354.410 2.351 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c1 643766890 UPZDUBGQXBEHLB-BLLLJJGKSA-N 353.419 2.303 0 40 FEAB CCCNC(=O)c1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)c1 678955113 HMGJNEMRZUUGIY-UHFFFAOYSA-N 371.481 2.299 0 40 FEAB CCCCn1nc(C(=O)N2CC(C)(C)C(=O)Nc3ccncc32)ccc1=O 1775961958 KHGMGVFGELRDBX-UHFFFAOYSA-N 369.425 2.064 0 40 FEAB CC(C)(C)N1CC[C@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)C1 661252282 OGIUSNMNNXYEGQ-ZDUSSCGKSA-N 364.881 2.097 0 40 FEAB CC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCc3ccccn3)C2)C1 585103353 UXWGOPUQGYPRPO-JWYNLTDQSA-N 357.498 2.425 0 40 FEAB COCC[C@H]1CCOC12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 585104747 LXDDAFKUSXMNMU-KRWDZBQOSA-N 367.511 2.498 0 40 FEAB Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(c4ccncn4)C3)C2)c1 585104479 OGZSCLBTKHYVSX-OAQYLSRUSA-N 366.465 2.349 0 40 FEAB CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc34)C2)[C@@H]1C(C)C 685941604 FSUXYGXJTFXTPF-HBXLWWENSA-N 356.470 2.163 0 40 FEAB C[C@@H](NC(=O)c1cn(C)nc1C1CCOCC1)c1c(F)cncc1F 644478145 GDFACAUCZQUNKS-SNVBAGLBSA-N 350.369 2.478 0 40 FEAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595112 YYOAPAFBFKASAM-RBSFLKMASA-N 371.428 2.092 0 40 FEAB O=C(C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 5721974 YNFSQLXDCFRFKJ-CQSZACIVSA-N 364.810 2.463 0 40 FEAB COc1cccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 12292522 QSFGKCLXUWABLL-SFHVURJKSA-N 371.433 2.441 0 40 FEAB C[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 12326614 HSRVVQUOOKUHQL-KBXCAEBGSA-N 352.500 2.164 0 40 FEAB O=C(Cc1cccs1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12407191 ZYMIGSQVMGFQPZ-AWEZNQCLSA-N 354.439 2.030 0 40 FEAB C[C@@H]1Cc2cc(-c3csc(NC(=O)CCn4cnnn4)n3)ccc2O1 19498239 LMQAWHWPVJZPHX-SNVBAGLBSA-N 356.411 2.149 0 40 FEAB C[C@]12CN(C(=O)Cc3ccccc3F)C[C@H]1NC(=O)c1ccccc1C2=O 19576433 LZEGODAXZLKZBO-UTKZUKDTSA-N 366.392 2.212 0 40 FEAB CC(=O)N[C@@]12CN(Cc3ccc(Cl)c(F)c3)CC[C@@H]1CN(C(C)=O)C2 19713560 RZPDHSFTXAQIAE-CRAIPNDOSA-N 367.852 2.038 0 40 FEAB Cc1cccn2c(=O)c(C(=O)N[C@H](CCN(C)C)c3ccccc3)cnc12 19714699 LMZHGORPLCACJH-GOSISDBHSA-N 364.449 2.426 0 40 FEAB COc1cnc(N2CCN(c3nc(C(C)(C)C)nc(C)c3F)CC2)nc1 1888864407 GJJRMRKEZUSCQL-UHFFFAOYSA-N 360.437 2.347 0 40 FEAB COc1cc2ncnc(N3CCC[C@H](NC(=O)C4CC4)C3)c2cc1OC 1889125015 OVXSXNZPCIFWES-ZDUSSCGKSA-N 356.426 2.142 0 40 FEAB CONC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 25824701 XMOLXSJKENKDMB-UHFFFAOYSA-N 350.396 2.096 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1166013390 RGYOPNYCUVUMNM-IYBDPMFKSA-N 370.478 2.111 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2O1 38773842 SJWBXQCPIKRCBM-WMZOPIPTSA-N 350.374 2.284 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565549695 ZTWXEGZCELFOOX-KUHUBIRLSA-N 369.425 2.218 0 40 FEAB CCOCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2353767 DJRLKLNRVPIDQG-UHFFFAOYSA-N 359.455 2.374 0 40 FEAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152847 VQMWFZPJWVCXDT-KRWDZBQOSA-N 355.438 2.272 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)s1 5314621 SYSXAOOHCPDTFA-UHFFFAOYSA-N 372.493 2.397 0 40 FEAB CCCN1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1 19939467 QGIFUKRZZPBWQF-MRXNPFEDSA-N 353.344 2.470 0 40 FEAB CCOC(=O)[C@](NCCc1ccccc1F)(NC(=O)CC)C(F)(F)F 19939221 YCWVINZVODUOPD-HNNXBMFYSA-N 364.339 2.306 0 40 FEAB CCc1[nH]nc(S(=O)(=O)Nc2ccc(SC)cc2)c1C(=O)OC 48991580 KAHUOUNFDYBOLL-UHFFFAOYSA-N 355.441 2.281 0 40 FEAB Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1C 40033618 SHYKEXYWVAYTMF-HNNXBMFYSA-N 362.451 2.194 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)s2)o1 31274018 PXFNWCYGYQDPQR-HNNXBMFYSA-N 354.453 2.327 0 40 FEAB Cc1ccc(OCC(=O)N2CCN(CCc3ccncc3)CC2)cc1C 20896959 DTQGOKBTIPEXQS-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)no1 7231555 ONMMOLIUEOURBX-UKRRQHHQSA-N 371.393 2.074 0 40 FEAB COCCOCCCNC(=O)c1ccccc1SCc1nc(C)no1 47631684 PWBDAEQDBBKWKK-UHFFFAOYSA-N 365.455 2.453 0 40 FEAB COC(=O)c1ccc(COC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 9593170 RKOSVWABPYDQJD-UHFFFAOYSA-N 366.373 2.386 0 40 FEAB COC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 24439291 VQLAPOVJPMUXBB-HNNXBMFYSA-N 354.410 2.047 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 54991706 GOQKTRCRRQDRHQ-IKGGRYGDSA-N 362.495 2.214 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)no1 25042885 CFTKFZHHCKRHGH-UHFFFAOYSA-N 368.437 2.068 0 40 FEAB O=C(COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cc1 107327784 KGVPUXLVVGIQHG-RLFYNMQTSA-N 358.438 2.441 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 48226753 XTNQMVKGHBGOAM-UHFFFAOYSA-N 357.391 2.327 0 40 FEAB COc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2F)c(OC)c1 3331505 JAOGXSHBPWGLBD-UHFFFAOYSA-N 360.385 2.231 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)CCNC(=O)c2ccccc2)o1 58214164 YYJPFWLSZVEZTH-UHFFFAOYSA-N 357.454 2.298 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccc(F)cc2)c(=O)[nH]c1=O 3334476 VWRWZWUEMILHTK-DHZHZOJOSA-N 374.416 2.124 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1nccs1)C(F)(F)F 2305272 PMFFOAKEJDQVMG-CYBMUJFWSA-N 359.329 2.417 0 40 FEAB CCOC(=O)c1c(COC(=O)c2ccccc2)nc2ccccc2[n+]1[O-] 2449325 CBVDSLWIKLMYSK-UHFFFAOYSA-N 352.346 2.402 0 40 FEAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCCCC1 28915412 CBPQLHGNMFYOBX-YBEGLDIGSA-N 354.472 2.195 0 40 FEAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc21 12815771 LJAACTJRCUJPHK-UHFFFAOYSA-N 362.288 2.468 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 48479266 MLRBVIXPBIRPQS-KBPBESRZSA-N 350.440 2.298 0 40 FEAB CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 12918273 IWIOQXKKNLBNLW-NSHDSACASA-N 374.418 2.498 0 40 FEAB Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 3999554 UFDUUDWBZOHHTP-MRXNPFEDSA-N 361.195 2.444 0 40 FEAB biogenic COc1ccc(CCc2nn3c(-c4cnccn4)nnc3s2)cc1OC 13731093 XFMCIPDABKJKPL-UHFFFAOYSA-N 368.422 2.445 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(Cn2cnc3ccccc32)CC1 27307157 KWOXFUNHUMVLFK-UHFFFAOYSA-N 362.480 2.062 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3cnc4[nH]nc(C)c4c3)CC2)c(C)o1 65580686 YNEVUBHNQVHBFJ-UHFFFAOYSA-N 367.409 2.074 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCCCC2)cc(Br)c1O 14139745 FCNXOJOCPIUCEL-UHFFFAOYSA-N 372.215 2.333 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCCCCCC1 14163479 HKKGEWYCJDUOHI-HXUWFJFHSA-N 371.437 2.009 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1C 5558988 MCVJEKVBLZRASV-TZMCWYRMSA-N 352.456 2.464 0 40 FEAB Cc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)cc(=O)oc2c1 6659585 QCPWORYWKZWDAY-UHFFFAOYSA-N 355.394 2.192 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 6654541 JDQWPYOZACIYAN-HXUWFJFHSA-N 360.373 2.347 0 40 FEAB NC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 66688211 LOBXHPKAJGYCMR-OAHLLOKOSA-N 369.824 2.170 0 40 FEAB CN(c1ccccc1)c1ccccc1NC(=O)C(=O)N1CCC[C@H](O)C1 80236383 XQEZXJYSUXHDJT-INIZCTEOSA-N 353.422 2.376 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnc(NC4CC4)s3)cc2N1 7577416 YZCXMNZAAFAUOZ-UHFFFAOYSA-N 362.436 2.418 0 40 FEAB CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C(=O)N(C)C)c1C 7988181 LVBIUFLHPLKIHX-UHFFFAOYSA-N 369.487 2.262 0 40 FEAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 8036105 BFRXMEMXSPYGOZ-UHFFFAOYSA-N 374.418 2.151 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 16639737 TZIIEYLUZNJDKA-UHFFFAOYSA-N 364.511 2.492 0 40 FEAB CN(C)c1ccccc1CNS(=O)(=O)c1cnn(-c2ccccc2)c1 97163864 LIEUVNXISXWXIK-UHFFFAOYSA-N 356.451 2.417 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 9690482 DJROUFQDGIFSMG-UHFFFAOYSA-N 373.478 2.004 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCc3nnc(Cc4ccccc4)n3C2)cn1 95998212 YOPLJZOOHQWTGN-INIZCTEOSA-N 363.421 2.017 0 40 FEAB O=C(NCCOc1ccc2c(c1)OCO2)c1cccc(-n2cccn2)c1 95960030 RYBQVULZPOFXSS-UHFFFAOYSA-N 351.362 2.410 0 40 FEAB O=S(=O)(c1ccccn1)N1CCC[C@H](n2nccc2C(F)(F)F)C1 95995024 IXMRVVRUTCWJRN-NSHDSACASA-N 360.361 2.323 0 40 FEAB CC[C@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@H](C)O 89942089 YEXXFCRXNHHZFR-KBXCAEBGSA-N 370.515 2.081 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3C[C@H](CNC(=O)CC3CC3)C2)cn1 306134690 NVIYUQSQIQGJLJ-QGZVFWFLSA-N 370.501 2.209 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 510644483 IOINHYGCLSNVBN-HNNXBMFYSA-N 367.446 2.408 0 40 FEAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccc2c(c1)OCCO2 524734132 AERLUNAFMHJLGV-CYBMUJFWSA-N 357.395 2.124 0 40 FEAB O=C(N[C@@H]1CN(C(=O)[C@]23CCCC[C@@H]2C3)C[C@H]1O)c1coc(C(F)F)c1 1025330833 BXPBPDOGZTXMLJ-TVUHYWCHSA-N 368.380 2.099 0 40 FEAB O=C(NCc1cccnc1OCC(F)(F)F)c1noc2c1COCC2 527593231 HBMZLWORXLYPQT-UHFFFAOYSA-N 357.288 2.013 0 40 FEAB Cc1nnsc1C(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348221 XSCNFSHQEWGWFC-UHFFFAOYSA-N 367.434 2.252 0 40 FEAB C[C@H](N)C(=O)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 79393210 MVDZQNSMUMSWJI-DOTOQJQBSA-N 359.470 2.373 0 40 FEAB CCc1cccc(NC(=O)CNS(=O)(=O)Cc2ccccc2F)c1 72074498 YBTIVRDKGFKSJS-UHFFFAOYSA-N 350.415 2.446 0 40 FEAB CC(=O)N1CCN(CC2CCCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355144 IALRDILNAVMAHL-LJQANCHMSA-N 373.545 2.446 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 75156974 LSBDJTIAUJZYCS-UHFFFAOYSA-N 370.405 2.348 0 40 FEAB CCn1cc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1=O 131485174 KQEAEJKCAPRMFP-ZIAGYGMSSA-N 356.426 2.129 0 40 FEAB CCOCCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225730638 RRCCGFMQEHDMJD-UHFFFAOYSA-N 367.243 2.307 0 40 FEAB O=C(C1CCOCC1)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96057097 OFPPFJBRBAHLOF-PXNSSMCTSA-N 360.454 2.285 0 40 FEAB CN(Cc1ccnc(N(C)C)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 583621398 CHEWZXAOIUPHMR-FXAWDEMLSA-N 356.518 2.396 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 96039553 UNVCUNIJZAQXAC-QFBILLFUSA-N 350.459 2.178 0 40 FEAB CCOC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 96231062 JRZBJXVNWVBQGO-UHFFFAOYSA-N 357.391 2.324 0 40 FEAB O=S(=O)(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 96239629 XSLOULZNLBAACY-HNNXBMFYSA-N 357.426 2.111 0 40 FEAB NC(=O)C[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 585084042 KGYMCPRJVZLCRA-CYBMUJFWSA-N 350.846 2.112 0 40 FEAB COc1ccc(CN(C)[C@H]2[C@H](N)C[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 257325953 WVEFMUVZNUTTLV-ZRNYENFQSA-N 360.429 2.174 0 40 FEAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(O)n3nc(C)cc3n2)c1 257309533 UBHMTSZAEWUNMU-HNNXBMFYSA-N 354.414 2.002 0 40 FEAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCN2C(=O)CNC2=O)o1 608255354 BPXLYOMSYYGPJN-DZGCQCFKSA-N 361.442 2.474 0 40 FEAB Cn1cc(-c2cccc(NC(=O)C3CCN(c4cnccn4)CC3)c2)nn1 620272199 WJALBRIXLDLYQB-UHFFFAOYSA-N 363.425 2.127 0 40 FEAB CCc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)n(C)n1 635568265 YKAZSYAMSIQTAK-INIZCTEOSA-N 355.398 2.202 0 40 FEAB COCc1ccccc1/C=C(\C)CN1CCO[C@H](CN2CCN(C)CC2)C1 646076507 NPCCXKHZIVFACT-PGPKDTDWSA-N 373.541 2.185 0 40 FEAB Cc1nnc([C@H]2C[C@@H](O)CN2C(=O)CCN2c3ccccc3CC[C@@H]2C)o1 1775959310 VBUQZVGZQCWPBK-FDQGKXFDSA-N 370.453 2.244 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)C2CCCCC2)C1 96025389 NNJAPMPMUPRKTN-MRXNPFEDSA-N 357.497 2.197 0 40 FEAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2ccn(C)c(=O)c2)C1 585275433 AWRBDIQMYMRGHD-FQEVSTJZSA-N 356.422 2.004 0 40 FEAB CO[C@]1(COc2ccc(F)cc2)CCN(C2CCN(C(C)=O)CC2)C1 1615145745 WQQROUFIFDDFKO-LJQANCHMSA-N 350.434 2.306 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)c1 1549162583 SJBPOYADLOVYIK-UHFFFAOYSA-N 372.446 2.102 0 40 FEAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccco1)CN2 5450732 OFUPUXSAIBDCRF-UHFFFAOYSA-N 358.785 2.157 0 40 FEAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5919371 VREJMCQQECSVGS-XJKSGUPXSA-N 355.394 2.009 0 40 FEAB C[C@H]1CCc2n[nH]c(C(=O)N3CCn4cc(C(F)(F)F)nc4C3)c2C1 12221175 VQVRQBJCOSWIKS-VIFPVBQESA-N 353.348 2.406 0 40 FEAB Cc1ccccc1C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12232055 ZHTOGSDICXTVTO-KKSFZXQISA-N 363.417 2.208 0 40 FEAB Cc1ccc(C(=O)N2CCc3nc4sc(C)cc4c(=O)n3CC2)cn1 13227215 HXDIDSKDHMDUQC-UHFFFAOYSA-N 354.435 2.168 0 40 FEAB CCCCCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585804 RFIGYSQEQUQBAW-UHFFFAOYSA-N 356.469 2.194 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3F)ccc21 19936673 YBTLJRGSTVRHQA-UHFFFAOYSA-N 358.297 2.350 0 40 FEAB c1nc(N2CCCC2)cc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 1888865714 OOFSICYKWOJSHU-UHFFFAOYSA-N 351.458 2.071 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889191565 QBNXXQUYTULNOJ-RDJZCZTQSA-N 361.442 2.261 0 40 FEAB Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17317395 FDTTTZYCGJUCPO-UHFFFAOYSA-N 360.479 2.306 0 40 FEAB COc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(OC)c1 38679254 DAAANRHIIIZCIA-UHFFFAOYSA-N 359.426 2.267 0 40 FEAB CC(=O)N1CCCCN(Cc2cncn2C)CCOc2ccccc2C1 2037985655 RDBHSSOQUUOKNZ-UHFFFAOYSA-N 356.470 2.443 0 40 FEAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OC(C)C 1439587 WLNVTSWJDCVLRN-BJMVGYQFSA-N 355.188 2.425 0 40 FEAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 9616182 ZJVJTNVPLOJDMW-UHFFFAOYSA-N 372.772 2.366 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 10220583 QTTQZNIPCVEQRN-CQSZACIVSA-N 355.456 2.276 0 40 FEAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@H]1CCCCC[C@@H]1O2 22133919 CNSJAEXOWWTEPV-ROUUACIJSA-N 358.438 2.224 0 40 FEAB O=C(CCc1c(F)cccc1Cl)N1CCC(N2C(=O)COC2=O)CC1 575610637 MFRWGTIAPXNPOA-UHFFFAOYSA-N 368.792 2.382 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)cc1 13578852 OSHMGHOZNIJFBF-SECBINFHSA-N 356.411 2.431 0 40 FEAB CCOC(=O)N1CCC[C@H](C(=O)NCCn2c(C)nc3ccccc32)C1 30562975 AEQXTVGZRYZLOD-HNNXBMFYSA-N 358.442 2.329 0 40 FEAB COc1ccc([C@@H]2NN(C)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 101128044 YCILQXDYTKVXSL-SQNIBIBYSA-N 351.406 2.053 0 40 FEAB Cc1nn(CC(=O)NC[C@H](c2cccs2)N(C)C)c(=O)c2ccccc12 21302503 HCFHTDMOZXLVKU-MRXNPFEDSA-N 370.478 2.186 0 40 FEAB O=C(NC[C@H](O)c1cccc(Cl)c1)[C@@H]1CCCN(c2cnccn2)C1 46689708 VXYYOMJRISSZNG-ZBFHGGJFSA-N 360.845 2.196 0 40 FEAB CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 1362451 UPHBTRKZJKVWGV-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB Cc1ccc(N2C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)[C@H]2C)cc1 32741578 SGDALRHMXSIVOO-CQSZACIVSA-N 362.393 2.328 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 3059317 OLMJGPHAALTQMG-UHFFFAOYSA-N 372.421 2.400 0 40 FEAB biogenic CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1 4518598 FGAAQUZXSYVJSV-UHFFFAOYSA-N 370.438 2.389 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)n1 6593904 GDSZDULSWUSEQC-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 7779739 AUIRUOBIHFIVNP-INIZCTEOSA-N 356.444 2.123 0 40 FEAB O=C(c1cc(Br)ccc1F)N1CCN(c2ncccn2)CC1 8112720 XMSYCOLWNNONSA-UHFFFAOYSA-N 365.206 2.341 0 40 FEAB CCOC(=O)c1cccc(OC[C@@H](O)CNCCN(C(C)C)C(C)C)c1 22782785 DXCUERULBCUFBO-SFHVURJKSA-N 366.502 2.311 0 40 FEAB CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCCN(S(C)(=O)=O)CC1 22964377 WPUZFTITQFAPFM-OAHLLOKOSA-N 367.515 2.104 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CN2CCOCC2)cc1 23718070 FXBZOPYWELASQC-GOSISDBHSA-N 368.433 2.089 0 40 FEAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2 55087893 INGCRHHWYDZUHR-UHFFFAOYSA-N 357.385 2.315 0 40 FEAB C[C@H]1CCCCN1[C@H](C)CNC(=O)NCCNC(=O)c1ccccc1F 106132998 FJZPRZFGQWWOKF-LSDHHAIUSA-N 364.465 2.118 0 40 FEAB NC(=O)c1cc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)ccc1F 25145479 ICPXCJJWNLSUBW-UHFFFAOYSA-N 356.357 2.461 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(Cc2ccccc2)no1 47854345 KPAUKKFSYLMSAU-SFHVURJKSA-N 362.433 2.333 0 40 FEAB O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCOCC1 3239407 QCWLZGRUBZSZCY-UHFFFAOYSA-N 354.432 2.372 0 40 FEAB COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)c1 72287765 XOXYTCHQSWXCBD-GOSISDBHSA-N 351.410 2.090 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccccc1CN1CCOCC1 12628622 FUIHEVCSVQBALY-UHFFFAOYSA-N 370.478 2.087 0 40 FEAB O=C(Cc1cccnc1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1 107190809 QOTJQMNRAXFNAJ-UHFFFAOYSA-N 355.417 2.072 0 40 FEAB COC(=O)CNC(=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 58184184 GCTUZGDMKSZBCU-UHFFFAOYSA-N 358.369 2.300 0 40 FEAB Cc1sc2[nH]c(CCC(=O)NC[C@H](O)c3ccccc3)nc(=O)c2c1C 58216238 HHKGAVXCAANRSF-AWEZNQCLSA-N 371.462 2.384 0 40 FEAB COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCCC1)N(C)CC3)OCO2 2128393 BKDUDYJWAQAMQE-INIZCTEOSA-N 371.441 2.493 0 40 FEAB biogenic COc1ccc(NC(=O)[C@H](C)NC(=O)C2CCCC2)cc1N1CCCC1=O 58341819 APUFIAIHHLKZOG-ZDUSSCGKSA-N 373.453 2.455 0 40 FEAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1F 12768337 LWUMIZXMDMJMLV-LLVKDONJSA-N 373.359 2.236 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1 12847621 OAGKMUJCLAAKAB-UHFFFAOYSA-N 361.467 2.044 0 40 FEAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)NCc1ccco1 3430186 UVQMFLMUBPSGRJ-GFCCVEGCSA-N 373.438 2.369 0 40 FEAB NC(=O)C1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 3427777 GYDUHITZJLIOLS-DAFODLJHSA-N 355.207 2.325 0 40 FEAB Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccc1 13268675 XDBSULXCIMEINM-MRXNPFEDSA-N 371.418 2.186 0 40 FEAB CCc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 6354059 NEQZMGDCXRMRNS-UHFFFAOYSA-N 366.373 2.027 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1C 14190438 BVRBJOPCCKMEGB-UHFFFAOYSA-N 352.500 2.409 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccn1 4676119 HAPGVQMZUMHIRG-QGZVFWFLSA-N 355.394 2.018 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N(C)c1ccccc1 7280713 MPKGRZKEIHUNGJ-AWEZNQCLSA-N 350.378 2.476 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 15955094 GWOYTLYMCAAZGT-QRWLVFNGSA-N 357.406 2.325 0 40 FEAB biogenic Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1 68113398 XXUXDRMCSDMQIM-INIZCTEOSA-N 371.462 2.454 0 40 FEAB Cc1c(C(N)=O)sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 7994967 PTJSMUDCUSILGE-VIFPVBQESA-N 374.397 2.204 0 40 FEAB CCCc1cc(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)n(C)n1 91093731 FBDWYUFGFDHLKT-UHFFFAOYSA-N 360.462 2.327 0 40 FEAB CCN1CCCN(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CC1 91173521 QBIJKWRSACYIFX-UHFFFAOYSA-N 374.485 2.491 0 40 FEAB Cn1cc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)cn1 306134702 NVOCTNFXUNXZKN-NRFANRHFSA-N 360.465 2.374 0 40 FEAB COc1ccc(NC(=O)CN(CCC(N)=O)Cc2ccccc2)c(OC)c1 9335576 WORRNTJGLSHEJE-UHFFFAOYSA-N 371.437 2.020 0 40 FEAB O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@@H](O)[C@H](N2CCCC2)C1 72306030 OAESIMMNXNGIEP-ZIAGYGMSSA-N 365.503 2.259 0 40 FEAB CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 72304314 WVJQGDDPZZBXKB-QGZVFWFLSA-N 374.503 2.273 0 40 FEAB Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@H]3c3cccs3)C2=O)cn1 118083857 HJMOXNHIHONKQX-KGLIPLIRSA-N 359.455 2.134 0 40 FEAB COC(=O)c1cscc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 95455628 KKHGOQCHEYVRGO-UHFFFAOYSA-N 361.422 2.404 0 40 FEAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCC[C@H](C(F)(F)F)C1 64368952 NSQYCNGOVAIYGT-LBPRGKRZSA-N 355.316 2.304 0 40 FEAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1 518514919 FFSJJIZVCBPQCL-AWEZNQCLSA-N 350.463 2.090 0 40 FEAB C[C@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CC12CCC2 538931235 HGCVCRVLOZWLAP-LBPRGKRZSA-N 368.437 2.484 0 40 FEAB O=C(/C=C/c1ccccc1)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 71000903 GQXKJMXQZFQOEH-AWNIVKPZSA-N 374.404 2.206 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 45866053 ZGXWACIOWBWIEQ-UHFFFAOYSA-N 355.437 2.290 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2CCN(C(=O)C3CC3)CC2)c(OC)c1 48286833 JGIGPNHQYHQOFP-OAJJDEHYSA-N 374.481 2.022 0 40 FEAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCCO)c1ccccc1 223471591 VFICAPAYSGJBOB-IBGZPJMESA-N 358.413 2.414 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccco3)ccc21 225683951 RYLYISRANKGTOT-UHFFFAOYSA-N 352.437 2.104 0 40 FEAB C[C@H]1Cc2c(NC(=O)c3cc(-c4cccs4)n[nH]3)nn(C)c2NC1=O 44213421 HLXAGSNRRXJPFN-QMMMGPOBSA-N 356.411 2.255 0 40 FEAB COCCCNC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)cn1C 49551190 JJZJAJQVLQIMEI-UHFFFAOYSA-N 364.829 2.384 0 40 FEAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)CSCc2ccccc2)n[nH]1 225553860 XUSCFOSTIHKNMX-INIZCTEOSA-N 358.467 2.496 0 40 FEAB CCSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 225822254 SQHXLGWTWPYEIV-UHFFFAOYSA-N 358.470 2.274 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1OC 223319077 DTJJWBRGWGQSJK-UHFFFAOYSA-N 364.379 2.248 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CC(c2nc(-c3ccccc3)no2)C1 49032094 HFMBWICCLWZXOO-UHFFFAOYSA-N 360.395 2.130 0 40 FEAB COc1cccc(C(=O)N2CC[C@@]3(C[C@@H](N4CCCC4=O)CCO3)C2)c1 96208662 IQPOLKRFRPDRCM-OXJNMPFZSA-N 358.438 2.081 0 40 FEAB Fc1cnc(N2CC[C@]3(COCc4cnc(-c5cccnc5)nc43)C2)nc1 96244260 PKSVIBRKCJZPAR-LJQANCHMSA-N 364.384 2.146 0 40 FEAB Cc1ccc(CN2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)s1 248107568 PSCOIOJPPDERPS-KRWDZBQOSA-N 374.510 2.449 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)ccn1 257229023 FWIFFLPKEOFOIA-INIZCTEOSA-N 353.426 2.478 0 40 FEAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(N)CC(=O)N32)cc1 1083103451 DKFDMUHEIROVHQ-FXAWDEMLSA-N 360.417 2.035 0 40 FEAB C[C@@H]1C(=O)N2[C@H](C[C@@H]3CCC[C@H]32)C(=O)N1[C@H](CCc1ccccc1)C(=O)O 252514829 DZRWPCCIYKIPJW-REEYDVFISA-N 370.449 2.073 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257272799 NDXMRACQSDDZOK-SFHVURJKSA-N 358.442 2.203 0 40 FEAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1 251996585 KYVPIQCRGMVATO-AWEZNQCLSA-N 371.372 2.126 0 40 FEAB Cc1cn(C)c([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257242424 ICKSVKMMUVLWGI-KRWDZBQOSA-N 353.426 2.068 0 40 FEAB Cc1ncc(CNS(=O)(=O)c2cccs2)c([C@@H]2CCCN2C)n1 257258025 KSBRPFIOZBFKHN-ZDUSSCGKSA-N 352.485 2.092 0 40 FEAB CC[C@@H]1CCCCN1CCNC(=O)Cc1ccnc(O)c1Br 277955371 JZRHAQPDZJUOEJ-CYBMUJFWSA-N 370.291 2.473 0 40 FEAB CS(=O)(=O)c1cccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 648529215 PVNAAXRSYYRHDJ-IBGZPJMESA-N 356.447 2.186 0 40 FEAB COc1ccc(-c2ccc(CNC(=O)N3CCO[C@H](C(=O)O)C3)cc2)cc1 666530799 BJJDQVZDIDRAQW-SFHVURJKSA-N 370.405 2.357 0 40 FEAB Cc1cc(=O)oc2ccn(CCn3c([C@@H](C)O)nc4ccccc43)c(=O)c12 1772491413 YSOKLPTUAZKQLB-CYBMUJFWSA-N 365.389 2.366 0 40 FEAB COc1ccccc1OCC(=O)NCCn1ccc(-c2ccccn2)n1 96098886 FTMGPVRKJKYYME-UHFFFAOYSA-N 352.394 2.149 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406088 VLTNXVSMBYUQMR-SJLPKXTDSA-N 366.417 2.224 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C 575423748 QBVWYKKPEBRGHU-MRXNPFEDSA-N 373.540 2.446 0 40 FEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 585289914 MSCXQDOLWSQVCS-PSVQYUNKSA-N 369.465 2.481 0 40 FEAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@H]1CCCO1)C2 585107510 YOCZQLBIVGRNSR-UZLBHIALSA-N 352.438 2.319 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1 585099235 XUROFEVOARCVKG-CYBMUJFWSA-N 361.392 2.483 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@@](O)(COc3cccc(C)c3)C2)[nH]1 585278582 UUXGGAICGMLBJD-HXUWFJFHSA-N 359.470 2.231 0 40 FEAB Cn1nccc1[C@@H]1CN(c2ncc(Cl)cc2F)C[C@H]1NC(=O)C1CC1 1615547309 DVQHEKODXMLPQP-TZMCWYRMSA-N 363.824 2.106 0 40 FEAB CCc1ccc(N2CN=c3s/c(=C\c4ccc(C)o4)c(=O)n3C2)cc1 2255259 VBBCVBKQHXXZBU-YVLHZVERSA-N 353.447 2.257 0 40 FEAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 11008355 SBWUHZMLLMIJDV-GFCCVEGCSA-N 363.439 2.182 0 40 FEAB Cc1cccc(C2(O)CCN(C(=O)c3cc(-c4cnn(C)c4)[nH]n3)CC2)c1 12116950 RVZXNVIGZFABJB-UHFFFAOYSA-N 365.437 2.242 0 40 FEAB COc1ccc([C@H](NC(=O)[C@]2(C)CCCO2)c2nccn2C)cc1OC 12147209 WZNNEEYECHUGEG-LPHOPBHVSA-N 359.426 2.212 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 12199462 HJKYQXMMLVKXCZ-UHFFFAOYSA-N 358.419 2.127 0 40 FEAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1(C)C 14246237 AAFZBCPFVZMSQO-JKSUJKDBSA-N 350.484 2.231 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1ccc(=O)n(C)n1)c1ccccc1Cl 19526299 SAZYHGAZNAEFTA-MRXNPFEDSA-N 362.861 2.247 0 40 FEAB CCN(Cc1ccc(S(=O)(=O)O)cc1)c1cccc(S(=O)(=O)O)c1 1669775 IUEFIBDFHWQRQJ-UHFFFAOYSA-N 371.436 2.207 0 40 FEAB in-vitro Cc1nccn1CC1(O)CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 12221655 XAGJVCFCPDUVOG-AWEZNQCLSA-N 355.438 2.182 0 40 FEAB CN1CCC(C)(CNC(=O)c2nc(N3CCCC3)ncc2Cl)CC1 679577198 FKLRZZCTYRZAHC-UHFFFAOYSA-N 351.882 2.192 0 40 FEAB O=C(CCc1ccccc1F)NCC1(N2CCSCC2)CCOCC1 1888847407 AWYKWCPYGDECJQ-UHFFFAOYSA-N 366.502 2.473 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)nn1 1888853244 AKYYONGFRXXREK-VXGBXAGGSA-N 350.348 2.166 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccsc2)CC1 1614945696 SVZVPLQEUXOPOV-OAHLLOKOSA-N 356.513 2.414 0 40 FEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)c(OC)c1 10256080 DTJYQGOZGWWPAC-QGZVFWFLSA-N 368.433 2.340 0 40 FEAB O=C(Cc1ccsc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782144 RDQWXPCZFBRREV-UHFFFAOYSA-N 372.494 2.031 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 2055708283 ZNUXWYYOHXIRFA-JLTOFOAXSA-N 350.422 2.300 0 40 FEAB COC(=O)c1ccc(CNC(=O)Nc2ccc(OC)c(OCCO)c2)cc1 40119665 ZVYRDVYDYLBBQJ-UHFFFAOYSA-N 374.393 2.175 0 40 FEAB CCCNC(=O)[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 50994796 WKSDGLVWKVCYPG-KRWDZBQOSA-N 357.498 2.420 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccccc4F)[C@H]3C2=O)cc1 101417987 CGUCNCOMZOPFPP-HZPDHXFCSA-N 354.341 2.328 0 40 FEAB O=C(COc1ccc(Nc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1 17634929 KEURPRLNYYMPAX-MRXNPFEDSA-N 360.435 2.112 0 40 FEAB COc1ccccc1CCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102166394 DXKKDSQXLVQSAV-UHFFFAOYSA-N 369.446 2.203 0 40 FEAB Cc1nnc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccccc1 2625251 OOYNJCSNNLWBOY-ZIAGYGMSSA-N 360.483 2.363 0 40 FEAB CCc1c(C)nc2ncnn2c1N1CCN(c2ccccc2OC)CC1 1326162 QDJGWVLZSRXZOQ-UHFFFAOYSA-N 352.442 2.330 0 40 FEAB COc1ccc(OC)c(/C=C/C(=O)N[C@H](CO)CSCSC)c1 1731336 RWFHTIFTTYUMST-WXJAXGNASA-N 357.497 2.248 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4166304 PAMGBPNCTKIXMJ-BENORSOKSA-N 368.433 2.131 0 40 FEAB C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2ccnc2)cc1 32900022 GDLCYOOPJNCXLU-CQSZACIVSA-N 359.389 2.371 0 40 FEAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccco1 6112223 DNEDPTSRJSVRAN-UHFFFAOYSA-N 362.183 2.068 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 6505308 YHFXYHXZYLJWKH-UHFFFAOYSA-N 373.261 2.500 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1c(C)noc1C)CC2 7214266 VBGSDEYVTLWMHU-UHFFFAOYSA-N 352.412 2.056 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 22193072 LNFCZCMXBGRJGE-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2cc(Br)cs2)s1 102964702 DIVVVEQYUXYLAV-QKHYZZJUSA-N 372.309 2.485 0 40 FEAB O=C(CN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccccc1C(F)(F)F 47717446 QUAFUOHKQNALAP-AWEZNQCLSA-N 371.403 2.298 0 40 FEAB CC(C)CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 43008291 LDDFSVPMBKYUGS-UHFFFAOYSA-N 351.878 2.260 0 40 FEAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(N2CCCC2=O)c1 43283018 VVSTZQDXDILRSY-QGZVFWFLSA-N 354.410 2.441 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 12569245 WPUQSAULGPJAPW-CYBMUJFWSA-N 368.231 2.272 0 40 FEAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 25470272 OYZJPCISQAVGBH-UHFFFAOYSA-N 352.438 2.448 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc2c(c1)OCCO2 57766676 WNEJLILOECTPQN-UHFFFAOYSA-N 361.419 2.181 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Cl)c(Cl)c3)cnc21 12619380 PQRKVLQAWLYRRT-UHFFFAOYSA-N 366.208 2.466 0 40 FEAB Cc1ccc2c(CN3CCc4cc(S(N)(=O)=O)ccc43)cc(=O)oc2c1 27550254 AFJCMNXEWDXKDX-UHFFFAOYSA-N 370.430 2.312 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1S(N)(=O)=O 58144504 SMLBUBUEXVEWNM-JTQLQIEISA-N 353.371 2.400 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccnc(-n2cccn2)c1 48289506 IKRSCAZQAKSXGN-ACJLOTCBSA-N 350.378 2.112 0 40 FEAB COc1cccc(C(=O)N2CCCN(c3ccc4nccnc4n3)CC2)c1 58296034 VKIATCLXMSCQMT-UHFFFAOYSA-N 363.421 2.386 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCCc1ccc(OC(F)(F)F)cc1 58357690 CFLUDBZVGDCWRV-LLVKDONJSA-N 367.389 2.456 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)Cc2coc3cc(C)ccc23)CC1 3310691 KSTVKQIWSPWYCJ-UHFFFAOYSA-N 373.405 2.239 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 3349633 NEJSTIVECDTTJZ-UHFFFAOYSA-N 364.760 2.391 0 40 FEAB Cc1ccccc1CN1CCN(S(=O)(=O)c2cnn(C(F)F)c2)CC1 36614998 PDMYUCVWJJLWSK-UHFFFAOYSA-N 370.425 2.093 0 40 FEAB CC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)n1 12825362 OIBICZRIMCVLEL-UHFFFAOYSA-N 352.394 2.097 0 40 FEAB O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 12939965 MYHCPPIXDDWHJV-UHFFFAOYSA-N 374.462 2.280 0 40 FEAB CCCCNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4082275 YPRQYKUDCMLBLU-GTNSWQLSSA-N 350.440 2.190 0 40 FEAB biogenic Cc1ccc(C)c(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1 8856513 GFHQFLNZLLDDRG-UHFFFAOYSA-N 352.394 2.410 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC=CC[C@@H]1C(=O)OCC(F)(F)C(F)F 4492184 RDXBMMHFPRBJRS-SRVKXCTJSA-N 367.339 2.308 0 40 FEAB COc1ccc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 14138318 XKXMRDHDORXEOP-WYMLVPIESA-N 374.462 2.292 0 40 FEAB Cc1nc2s/c(=C\c3c(C)n(C)c4c(C)cccc34)c(=O)n2c(=O)c1C 409033493 LLTWLGWWKXSBJK-SXGWCWSVSA-N 365.458 2.389 0 40 FEAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 4548054 QHOFMKZIMOUQBZ-CYBMUJFWSA-N 361.442 2.360 0 40 FEAB O=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccc2c(c1)OCO2 4554645 QYINCPWVXWEDGG-CZUORRHYSA-N 373.386 2.423 0 40 FEAB CSc1nc(N(CCO)CCO)c2c3c(sc2n1)COC(C)(C)C3 5478420 IOFKQCNEUNAFDO-UHFFFAOYSA-N 369.512 2.056 0 40 FEAB CCc1[nH]c(C(=O)NCc2nc3ccccc3n2C)c(C)c1C(=O)OC 15832189 UUIPIMPZKZQKHO-UHFFFAOYSA-N 354.410 2.489 0 40 FEAB O=C(CCOC[C@H]1CCCO1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004490 FLNAMRCQYVCOGY-QGZVFWFLSA-N 373.428 2.482 0 40 FEAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8240472 PKYXLOCPJABNPD-UHFFFAOYSA-N 358.463 2.071 0 40 FEAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(F)c1 9338406 CZMCVBZCLGYLGU-UHFFFAOYSA-N 370.427 2.067 0 40 FEAB O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@]12C(=O)Nc1ccccc12 9341250 ONUGPBUIEFEFBM-SFHVURJKSA-N 369.402 2.397 0 40 FEAB Cc1ccccc1CNCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17317394 LHSYNGBIHMNIAN-UHFFFAOYSA-N 360.479 2.306 0 40 FEAB O=C(NCCCO)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 98075018 KVGFGHVJJQISMI-UHFFFAOYSA-N 368.842 2.253 0 40 FEAB CCOc1ccc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C 95958341 DREOHGSKODHJIR-UHFFFAOYSA-N 370.453 2.162 0 40 FEAB CN(Cc1ccccc1)C[C@H](O)CN1C(=O)NC2(CCCCCC2)C1=O 75582431 WLYFPGHYJQSCSH-KRWDZBQOSA-N 359.470 2.124 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 60646600 YBOZGKWTZGDSGU-ZDUSSCGKSA-N 354.406 2.037 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1C 408590581 HWKNNQFWCZVKNI-AWEZNQCLSA-N 354.472 2.073 0 40 FEAB Cc1cscc1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 123951128 CVPVLWIYZSYYPW-UHFFFAOYSA-N 350.488 2.219 0 40 FEAB O=C(c1ccoc1)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306130885 JRVUUXJEYKVCRL-QZTJIDSGSA-N 362.389 2.198 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 32780777 MBDFHMVRSNUVGJ-UHFFFAOYSA-N 364.427 2.031 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1cccs1 32797675 FIOQGIKTGJNORS-UHFFFAOYSA-N 354.453 2.236 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC(c2cccc(F)c2)=NO1 36833001 UEDREZMZWCGABO-KBXCAEBGSA-N 356.353 2.275 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CC3)CC1)O2 72328060 GWQFLNDFURPMCY-QKKBWIMNSA-N 370.449 2.379 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)c(OC)n1 72392572 YLROVVHGNKVVAL-JNAXZKDPSA-N 373.428 2.363 0 40 FEAB COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760827 ATDMJRFCXWHZTN-QGZVFWFLSA-N 354.450 2.409 0 40 FEAB CCCCS(=O)(=O)N1CC[C@]2(CCCN(c3ccc(C)nn3)C2)C1 96217155 CBERKVIISURJEB-KRWDZBQOSA-N 352.504 2.207 0 40 FEAB Cc1ccc([C@H]2[C@@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1 96181572 CKBHCDKLCKJEBP-PMACEKPBSA-N 352.434 2.252 0 40 FEAB CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96228370 MXBUBNZMPHNGOX-PXNSSMCTSA-N 360.502 2.319 0 40 FEAB CN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145701 KNEGQROQFLIXGV-IRXDYDNUSA-N 373.478 2.128 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)nn2c1O 247951183 KLKSFMQPWISPJW-ODVANORSSA-N 368.437 2.313 0 40 FEAB N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515075 GXEMQMLSSZDCQK-ARFHVFGLSA-N 351.811 2.336 0 40 FEAB Cc1noc(C)c1CN1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 252008922 QPZSSAQDPAINOH-KRWDZBQOSA-N 371.466 2.423 0 40 FEAB COc1ncc(CN2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)cn1 257316109 VEDTUGXVEPLSHR-OAHLLOKOSA-N 353.426 2.053 0 40 FEAB CCn1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 257206370 BDBGVDHWNRAYQH-SFHVURJKSA-N 357.458 2.195 0 40 FEAB O=C(O[C@@H]1CO[C@H]2[C@H](OC(=O)[C@H]3CC=CCC3)CO[C@@H]21)[C@@H]1CC=CCC1 255188784 LPDKIQIMYPFJJX-HVKXIDHRSA-N 362.422 2.320 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1noc2c1CCCC2 257205231 AYDLAYMYIRLXSP-AWEZNQCLSA-N 356.426 2.126 0 40 FEAB Cc1oc(-c2ccsc2)nc1CN1Cc2nnc(C)n2C[C@H]1C(=O)O 455634167 HAHVUNDLWUECEV-ZDUSSCGKSA-N 359.411 2.080 0 40 FEAB Cc1ccn(C)c1C(=O)NC1CCC(NC(=O)c2c(C)ccn2C)CC1 275788144 BITXPTWBBIKRFC-UHFFFAOYSA-N 356.470 2.451 0 40 FEAB COc1cccc([C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C(=O)O)c1 659173055 AAKPSVCZADWNDS-GOSISDBHSA-N 368.389 2.160 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3ON=C(C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 100354733 UPKLGNZIGILXLA-CRAIPNDOSA-N 364.357 2.131 0 40 FEAB biogenic C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)[C@@H]1CCCS1 585098413 XQYVWRVNINYGLJ-STQMWFEESA-N 359.455 2.051 0 40 FEAB Cc1ccoc1C(=O)N1CC2(C[C@H](COCc3ccccn3)CN2C)C1 585093906 OOOUEIYGCGFYFS-INIZCTEOSA-N 355.438 2.346 0 40 FEAB O=C(CNC(=O)c1ccco1)NCCOc1ccc(C(F)(F)F)cc1 54031383 MEIOPJKCQKLUNZ-UHFFFAOYSA-N 356.300 2.223 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21)n1cccn1 58377872 NETOLLUJXMWORX-QAPCUYQASA-N 354.454 2.439 0 40 FEAB CSC1(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCN(C)CC1 597669616 XBGZMFRAQDFVEB-IAGOWNOFSA-N 364.511 2.087 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)o1 1775966040 QAKBZRCZYAHSBV-LBPRGKRZSA-N 360.391 2.067 0 40 FEAB CCOC(=O)[C@H]1[C@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OCC)[n+]1ccccc12 5121014 HXHJZSGLOLVDAU-OKYOBFRVSA-N 352.410 2.381 0 40 FEAB O=c1oc2cc(S(=O)(=O)N3CCCC3)ccc2n1Cc1ccccc1 11689653 HOPOUKDQQRJMRO-UHFFFAOYSA-N 358.419 2.427 0 40 FEAB CC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120556 KTHCIADLPZDQMU-KRWDZBQOSA-N 367.453 2.101 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12144954 RZCJESPXJJGUIP-HIFRSBDPSA-N 359.451 2.142 0 40 FEAB COc1ccc(NC(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 12223948 BDRKHLPYKBPAOS-UHFFFAOYSA-N 357.414 2.156 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580778 FTWLIJNPIWDHRC-ZDUSSCGKSA-N 372.462 2.103 0 40 FEAB CCOC(=O)[C@@](NC(=O)CC)(N1CCc2ccccc2C1)C(F)(F)F 19419474 KQCGOPAOIXLBDC-MRXNPFEDSA-N 358.360 2.393 0 40 FEAB CN(C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)C1CC1 19582119 UTNKAJWVAABOBW-RBUKOAKNSA-N 357.498 2.212 0 40 FEAB O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@H]1CCc2ncncc2C1 649246536 LYXRHCFAGHQJLC-BONVTDFDSA-N 363.776 2.316 0 40 FEAB Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1COC2(CCC2)C1 658014738 ZADYWJWTEHNCAC-AWEZNQCLSA-N 358.891 2.228 0 40 FEAB Cc1csc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1 5101557 JENZRYUPZRHKRY-UHFFFAOYSA-N 368.484 2.076 0 40 FEAB O=C(c1cn[nH]c1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849690 JORHQGJOSVFHBG-TXEJJXNPSA-N 351.332 2.032 0 40 FEAB O=C(c1cc(-c2ccccc2)on1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888897881 XSBFDHQVNOFOIG-IYBDPMFKSA-N 361.405 2.340 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@H]3C2)nn1 1888913735 SOOXIVDHAHEFKP-QZTJIDSGSA-N 374.448 2.179 0 40 FEAB COc1cccc2sc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc12 1889149090 ZWYGEDYXRFXLIL-NSHDSACASA-N 367.496 2.356 0 40 FEAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(C(=O)CN(C)C)C2)n1 2037836032 LNMHTDOQTXWINK-ZDUSSCGKSA-N 360.487 2.253 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)C4CC(F)C4)CC3)CC2=O)n1 1565544498 ITXZYXGURNVQAX-UHFFFAOYSA-N 359.445 2.479 0 40 FEAB c1nc(OCC2CCN(c3ccc4nncn4n3)CC2)cc(C2CCC2)n1 1565523533 RYOOEYLHMRPFIK-UHFFFAOYSA-N 365.441 2.477 0 40 FEAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2Cl)cc1 17052315 UNWNCFFRVKQSKE-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB Cc1csc(C(=O)N2CCc3nc(C(=O)NCC4CC4)n(C)c3CC2)c1 2055751278 DPJITXFCZUBDRZ-UHFFFAOYSA-N 372.494 2.171 0 40 FEAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 225632267 XSUGCSPMSLYGFA-ZIAGYGMSSA-N 355.818 2.286 0 40 FEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617733 QRLWEMLUOASBKM-ZBFHGGJFSA-N 360.483 2.068 0 40 FEAB CC(=O)N1CCN(C(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 13718829 MJQTYJCXRYEAIW-UHFFFAOYSA-N 367.490 2.008 0 40 FEAB CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](c2ccccc2)C1 40007793 ILZLKWAWVHJMHX-MJGOQNOKSA-N 367.449 2.143 0 40 FEAB CC(C)c1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 40025551 DQNRRYDRJCLMOQ-RMKNXTFCSA-N 350.484 2.363 0 40 FEAB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(C)CC3)cs2)n1 20386577 YGEMUJZOTRNFKG-UHFFFAOYSA-N 359.377 2.044 0 40 FEAB Cc1cccnc1CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100848809 NDBYWUJKASJEOX-BQFCYCMXSA-N 369.465 2.372 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)NCc1ccco1 20794932 MFGSCCWCMOJLPZ-FQEVSTJZSA-N 367.405 2.070 0 40 FEAB CCOc1ccc(-n2nc(CO)c(C(=O)NCCc3ccccc3)n2)cc1 20869384 LIAGYEWLUNRIKL-UHFFFAOYSA-N 366.421 2.131 0 40 FEAB CC(C)[C@H](NC(N)=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 101675626 QCPPDILHTFLURZ-KRWDZBQOSA-N 358.442 2.426 0 40 FEAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 2656809 KDJIJHUONWGRHV-HXUWFJFHSA-N 368.389 2.354 0 40 FEAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 8744827 CQDDXHFADNVFIA-UHFFFAOYSA-N 367.452 2.209 0 40 FEAB COC(=O)c1sc(=NC(=S)N2CCCCC2)sc1C(=O)OC 1616934 MUXJVWAXUQQCOV-UHFFFAOYSA-N 360.482 2.054 0 40 FEAB COC(=O)c1ccc(OCC(=O)NCCc2ccc(OC)cc2)c(OC)c1 3510526 VCLKZOBWWVZPMG-UHFFFAOYSA-N 373.405 2.228 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1Br 7653605 UJWSYLBBZXHSCJ-UHFFFAOYSA-N 354.204 2.026 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 8181727 YJDQFOKBQSKRMC-CYBMUJFWSA-N 350.415 2.324 0 40 FEAB Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 22443035 OPJBYAFFBYYLMN-UHFFFAOYSA-N 370.478 2.170 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(c3cccs3)=NC2=N1 940744 GZXPRJRDMZLURL-AWEZNQCLSA-N 355.398 2.324 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3ccco3)C2)c1 107233564 XIGAIMSLZNFZSP-HKUYNNGSSA-N 374.462 2.305 0 40 FEAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 23445503 DGRMRPKHHHBINS-KBPBESRZSA-N 362.451 2.287 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ccccc2O)CC1 23641915 QWKPOAXPMRMUNB-UHFFFAOYSA-N 372.469 2.117 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCCc1cccs1 23627101 DKCWHTCIFGNAOM-UHFFFAOYSA-N 352.481 2.231 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1C(F)(F)F 106173955 YWARXHPSMHYCMT-MNOVXSKESA-N 364.389 2.288 0 40 FEAB NC(=O)c1cccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 24889573 CIXKCGUOEGLDFI-UHFFFAOYSA-N 373.331 2.135 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1cccs1 25182503 GAHSVJDBIMUAED-UHFFFAOYSA-N 358.419 2.244 0 40 FEAB COC(=O)c1ccc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)cc1 12595883 XVBIGTZPBBKDPK-UHFFFAOYSA-N 366.373 2.027 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12526002 ZHZVIEWIEHJZLR-MRXNPFEDSA-N 360.435 2.396 0 40 FEAB COc1cccc(COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 25797330 CCGOQFZAPAIHPH-UHFFFAOYSA-N 354.362 2.104 0 40 FEAB CN(C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)cc1)c1ccc(F)cc1 56936567 JBUCYFJUMOFBTP-KRWDZBQOSA-N 358.417 2.027 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(c2ccccc2)=NO1 41775942 RRAHVCAYWRUCGT-KRWDZBQOSA-N 364.357 2.019 0 40 FEAB CC(=O)N[C@@H](CC(=O)N(C)CC(=O)Nc1cccc(F)c1)c1ccccc1 10135900 PJLGKKCMXQVSLL-SFHVURJKSA-N 371.412 2.490 0 40 FEAB O=C(Cn1cc(-c2nnco2)ccc1=O)N[C@@H]1CCCc2ccccc21 58167654 DVNFSMDQLZDLBH-MRXNPFEDSA-N 350.378 2.092 0 40 FEAB C[C@H]1CN([C@@H](C)CNC(=O)Nc2ccccc2-n2cccn2)C[C@@H](C)O1 48151615 MXNALPVIRXDDAR-HRCADAONSA-N 357.458 2.492 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](c2ccco2)N(C)C)cs1 44852766 SPFVFCOPZUVIGQ-CYBMUJFWSA-N 364.471 2.292 0 40 FEAB Cc1ccc([C@@H]2CCCN2C(=O)NCCC(=O)N2CCOCC2)cc1C 58229641 NLRNPEZUZDPMKZ-SFHVURJKSA-N 359.470 2.399 0 40 FEAB COc1ccc(-c2n[nH]c3c2C[C@@H](C(=O)NCCN2CCCC2)CC3)cc1 306128820 HLLPYRYLJKUMCM-INIZCTEOSA-N 368.481 2.402 0 40 FEAB CC(C)[C@H](C)NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8750437 RTQUZTWLHDFKAB-ZDUSSCGKSA-N 353.426 2.202 0 40 FEAB Cn1cc(C(=O)NCCCN2CCCCCC2=O)c(-c2cccnc2)n1 48341359 IGKSUGXYKHXPBW-UHFFFAOYSA-N 355.442 2.005 0 40 FEAB C[C@@H](CC(=O)N(C)CC(=O)Nc1cccc(F)c1)NC(=O)c1ccccc1 12867990 MSZWEIMTIIHANI-AWEZNQCLSA-N 371.412 2.431 0 40 FEAB Cc1ccc(OCc2n[nH]c(SCC(=O)NCC(F)(F)F)n2)cc1 3428871 FQEPJNODKKBLGN-UHFFFAOYSA-N 360.361 2.463 0 40 FEAB CN(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 3551182 ULOVAYOZKWSBKU-UHFFFAOYSA-N 353.440 2.038 0 40 FEAB COc1ccc(/C=C/C(=O)N2CCC2)cc1S(=O)(=O)N1CCCCC1 12909305 JWFJJHKLVMGLJG-VQHVLOKHSA-N 364.467 2.115 0 40 FEAB CN(C)C1(CNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CCCCCC1 13090275 XRNGLAPEALNJNB-UHFFFAOYSA-N 372.462 2.457 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2nsnc12 13730278 NNXRGKPRGJIZGV-UHFFFAOYSA-N 365.418 2.470 0 40 FEAB COC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 13896363 DJJQNKBLKYIWHC-YBEGLDIGSA-N 366.398 2.009 0 40 FEAB CCSc1nnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 14092681 VRULQCFDNHADHS-UHFFFAOYSA-N 361.452 2.458 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1nc2ccccc2c(=O)[nH]1 14185702 INWJLIWFIWLRRX-GFCCVEGCSA-N 361.361 2.422 0 40 FEAB C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14139078 HZVDPIQLBZMDNK-OCCSQVGLSA-N 361.467 2.433 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(C)cc3ccccc32)c2ccccc2O1 7257831 GCLACHLPIVBHFU-IBGZPJMESA-N 363.417 2.490 0 40 FEAB C[C@]1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCOC1 96014137 IASOKYDHAPZAEX-PXAZEXFGSA-N 351.834 2.339 0 40 FEAB CC(C)=CC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 7651821 WCMPQQHAENGHID-CYBMUJFWSA-N 368.455 2.210 0 40 FEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccn1 24680175 QWPWYTXZBRBLAE-STQMWFEESA-N 353.378 2.041 0 40 FEAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC(=O)NCc1ccco1 7903280 QYYKCXIFJQWGES-UHFFFAOYSA-N 361.427 2.202 0 40 FEAB Cc1c(O)ccc2c(CSc3nnnn3C[C@H]3CCCO3)cc(=O)oc12 16411636 QFJIXAJOKWTOBW-GFCCVEGCSA-N 374.422 2.265 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8191710 MVMXEYJPNIBADX-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C(C)=O)cn2C)c1C 8415385 QQJAUADULGCIHV-GFCCVEGCSA-N 374.393 2.387 0 40 FEAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409084236 AOOVJJVUSMEQDA-RIYZIHGNSA-N 363.391 2.446 0 40 FEAB C[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1nnnn1-c1ccccc1 71801234 OUWDPAJKWVOEGS-RYZVSIALSA-N 373.413 2.077 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 95985657 CGDOXVMFUQXBLH-SHZVTRLKSA-N 361.471 2.447 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@H](CO)c3ccccc3)CC2=O)cc1 75104856 PMHWRROBQQGFEO-QZTJIDSGSA-N 352.434 2.240 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 20016528 BQYDAZNJURXTND-UHFFFAOYSA-N 368.352 2.455 0 40 FEAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1)OCCO2 24060899 PNJKZAPBXKZMNP-UHFFFAOYSA-N 368.437 2.004 0 40 FEAB CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCc1nncn1CC 41910423 VXWZSEBRIDALEB-UHFFFAOYSA-N 363.849 2.331 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1cscn1 306130968 JTSXXPJYLBOWCV-JJRVBVJISA-N 361.442 2.159 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72360397 ILKYQKZMLZAWPF-INIZCTEOSA-N 368.441 2.409 0 40 FEAB Cc1cc2c(N3C[C@@H](NC(=O)c4cnsn4)[C@H](C)C3)ncnc2s1 1041777230 OZZKQELVDZOQSK-PRHODGIISA-N 360.468 2.106 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 37021533 PUUFGSMFNXTERZ-LSDHHAIUSA-N 368.499 2.498 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1[C@H](C)Nc2ncnn2[C@@H]1c1cn(C)nc1C 36621301 SGRFVIXPKCOOOH-RRQGHBQHSA-N 365.441 2.287 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NCC[C@H](O)c3ccco3)CC2=O)cc1C 77111343 VPAQLOLOQBYEFW-WBVHZDCISA-N 356.422 2.489 0 40 FEAB COc1ccccc1OCCNC(=O)c1cn(Cc2ccccc2)nn1 31246709 JVNOITWDGTUGMF-UHFFFAOYSA-N 352.394 2.144 0 40 FEAB COC(=O)c1ccc(C(=O)NCC2CCN(c3ccc(C)nn3)CC2)cc1 70929785 GUSMBRQILOOKRY-UHFFFAOYSA-N 368.437 2.218 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223571501 KVJPKIBSQBCJES-QGTPRVQTSA-N 372.494 2.027 0 40 FEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 223319240 YUMJTFNWCJJQNW-UHFFFAOYSA-N 362.363 2.002 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 223290620 GRTFMSDMAJTMSL-RUDMXATFSA-N 374.418 2.018 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(C2CC2)s1 44900618 XEYOXFCBKCJZDO-LLVKDONJSA-N 357.395 2.144 0 40 FEAB O=C(NC1CC1)c1ccc(N2CCC(NC(=O)c3ccccc3)CC2)nc1 48300227 MQLPSAXBRTVRRP-UHFFFAOYSA-N 364.449 2.373 0 40 FEAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)OC 223705768 RSGWILOTOPCVCS-SJORKVTESA-N 358.467 2.439 0 40 FEAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccc3ncccc3c2)CO1 96078584 KPHGAHLIMOYUHE-FXAWDEMLSA-N 356.422 2.271 0 40 FEAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2cccnc2)C3)cc1 96112852 MXNMNEAWLIZXFL-KRWDZBQOSA-N 364.405 2.283 0 40 FEAB biogenic,in-vitro COc1ccc(CN2CC[C@]3(CCCN(C(=O)NC4CC4)C3)C2=O)cc1 96074104 NWMJZEGEDPRINH-FQEVSTJZSA-N 357.454 2.382 0 40 FEAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96052000 GDCUUKRFJQTSOK-QAPCUYQASA-N 352.500 2.336 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)COc1ccccc1)C2 96227019 NXOLFKNWEVBMKC-WIYYLYMNSA-N 365.433 2.015 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)c1onc(-c2cccnc2)c1C(=O)O 96297049 PZPAHLVOMOZKSP-LLVKDONJSA-N 373.390 2.474 0 40 FEAB biogenic,in-vitro Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccnc2)C3)cs1 248059684 VGOLOFHKFWFYTJ-MRXNPFEDSA-N 359.451 2.437 0 40 FEAB O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 247799575 FEIRGXCUOQWQQW-XMTFNYHQSA-N 362.360 2.181 0 40 FEAB CCCn1nccc1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257291242 QGFGUBOGWWXLDF-QGZVFWFLSA-N 363.487 2.298 0 40 FEAB CS(=O)(=O)NCC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 42381352 HSBIGDKZVADWQC-UHFFFAOYSA-N 368.543 2.427 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(O)n2)C1 257234883 GVLRJWZOBOLRAG-NSHDSACASA-N 353.831 2.404 0 40 FEAB CS(=O)(=O)N1CCC(N(Cc2cnc(C3CC3)o2)CC(F)F)CC1 628264478 PEPRRNJKDLEYTQ-UHFFFAOYSA-N 363.430 2.043 0 40 FEAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)Cc1cc(C)ccc1F 656857682 OOCQAQIZGFLEPD-BEFAXECRSA-N 358.417 2.029 0 40 FEAB COCCc1cnc2n1CCN(C(=O)COc1ccccc1OC)[C@H]2C 585097303 IIHFXADPLKFPFJ-AWEZNQCLSA-N 359.426 2.063 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095766 IXDGRQRQVWJYKD-HNNXBMFYSA-N 368.428 2.460 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)NC[C@H](O)c3ccccc3)cn2)C[C@@H](C)O1 47527637 IWCROYXWDHIQEU-DAYGRLMNSA-N 355.438 2.159 0 40 FEAB O=C(NCCc1c(F)cccc1F)[C@H]1CC(=O)N(Cc2ccccn2)C1 55446365 PNZBXHKXWQCUHN-ZDUSSCGKSA-N 359.376 2.067 0 40 FEAB O=C(NCC1(c2ccccc2)CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 81485731 OJSXTDMTBHXPBZ-KRWDZBQOSA-N 372.387 2.444 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1=O 95980846 DITVAIKMFBTXTR-GXFFZTMASA-N 367.243 2.205 0 40 FEAB Cc1ccc(NC(=O)NC(=O)Cn2cnc3ccccc3c2=O)c(C)c1 5316281 ZWWZRGMDLCFZRK-UHFFFAOYSA-N 350.378 2.362 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)N[C@H](C)c4ccccn4)nc(C)n32)o1 12115507 YTIBRVRKKRVGAQ-GFCCVEGCSA-N 365.393 2.131 0 40 FEAB Cn1nccc1CN1CC[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 19748008 QZKIXUIMVCMYIA-INIZCTEOSA-N 351.454 2.082 0 40 FEAB COc1cncc(O[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)n1 225496967 AFVNLLVVMICHRK-CQSZACIVSA-N 360.414 2.093 0 40 FEAB CSc1nc(C)cc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888866459 MKUOELBBMNJEMN-KBPBESRZSA-N 354.435 2.133 0 40 FEAB Cc1cn2nc(N3CCN(c4nc(C)nc5cnccc45)CC3)ccc2n1 1888916680 UPNCPCANBRPOSR-UHFFFAOYSA-N 360.425 2.011 0 40 FEAB O=C(Cc1noc2ccccc12)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1076008708 DGHZMIKUCMPSLU-QFBILLFUSA-N 362.433 2.498 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]32)CC1 1565551948 MMMRJUBKWYGHKD-FUHWJXTLSA-N 371.529 2.151 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cn1 2055739177 NHJSAVZNFBRBST-OTWHNJEPSA-N 353.422 2.374 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1ccc(F)cc1 2055738721 MLOOYMMYJKDYCN-CQSZACIVSA-N 357.385 2.241 0 40 FEAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 23127369 GBXFOZDJKLYKOF-UHFFFAOYSA-N 361.486 2.223 0 40 FEAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cccs1 36700213 KGMDPYBILAFNNQ-INIZCTEOSA-N 366.508 2.490 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2CN(c3ccc(F)cn3)C[C@@H]2C1 2298212766 AVJBKKBLAXDOBL-GASCZTMLSA-N 357.433 2.088 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 5328922 OBBDARDLWZTHJH-UHFFFAOYSA-N 366.464 2.336 0 40 FEAB O=C(NCc1ccncc1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31808979 XORZQRNBQMMFBH-UHFFFAOYSA-N 360.377 2.306 0 40 FEAB COc1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 8619472 WUTWRQMVFLTNAZ-UHFFFAOYSA-N 360.435 2.165 0 40 FEAB biogenic C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(N)=O 2623048 LACLNNCVVPAPTP-VIFPVBQESA-N 367.452 2.295 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O 21559210 JQNMRWLVTSSDJG-BZNIZROVSA-N 373.236 2.454 0 40 FEAB Cn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cn1 2804152 NREVLQYGQYRMOP-UHFFFAOYSA-N 351.819 2.119 0 40 FEAB CC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1 4035260 NENRWIAZWPHEMH-UHFFFAOYSA-N 356.474 2.339 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 41785534 BCIQCJRCEIAXIS-GOSISDBHSA-N 369.396 2.337 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)CCOc1ccccc1C 8009004 UGAVZZWIIGLTPE-UHFFFAOYSA-N 371.389 2.272 0 40 FEAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccccn1 12324372 LXADQZQBVBQFSI-SFHVURJKSA-N 358.405 2.338 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2ccccc2F)c2ccccc12 12416946 VANJWFFNBHWHQE-UHFFFAOYSA-N 353.353 2.139 0 40 FEAB biogenic,in-vitro CCOC(=O)N1CCN(Cn2nnc(-c3ccc(C(C)C)cc3)n2)CC1 23717630 HUTHVGCANDWDLT-UHFFFAOYSA-N 358.446 2.195 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1 12409314 BADXQBMNMUQNNN-UHFFFAOYSA-N 355.329 2.230 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 9926971 DNMCXPNFPZRJTB-CYBMUJFWSA-N 371.220 2.422 0 40 FEAB COc1ccccc1CNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O 3043465 JLZGZBUOAYZLGG-UHFFFAOYSA-N 355.419 2.384 0 40 FEAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)NCCO)cc1 3173859 QAHVLJICFISOTG-QGOAFFKASA-N 367.449 2.259 0 40 FEAB O=C(COc1ccc(Br)cc1F)N1CCC2(CC1)OCCO2 24995641 GNJUFHKQSRLGOH-UHFFFAOYSA-N 374.206 2.333 0 40 FEAB CCOC(=O)c1ccc(OC[C@H](O)Cn2cnc3sccc3c2=O)cc1 25060552 ACYICSWEAMOATF-CYBMUJFWSA-N 374.418 2.075 0 40 FEAB CNC(=O)c1cc(NC(=O)CN(C)C(=O)c2cccs2)ccc1Cl 58201099 LNZZGJYYXVWFRB-UHFFFAOYSA-N 365.842 2.472 0 40 FEAB C[C@@H](OC(=O)c1ccc(N2CCCC2)nn1)C(=O)NCC1CCCCC1 58246646 QGVRTYCQIAYQGO-CQSZACIVSA-N 360.458 2.319 0 40 FEAB CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(=O)OCC)cc1 2191121 LANIUUODIJENMW-UHFFFAOYSA-N 356.444 2.047 0 40 FEAB NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCC(c2ccccc2)=N1 58344525 GBNCWNSIAOBOTL-UHFFFAOYSA-N 357.797 2.454 0 40 FEAB O=C(CNc1cccc(F)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11121762 HZBRKKZTIBAEEB-QGZVFWFLSA-N 362.426 2.458 0 40 FEAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 48301892 HKHHNAVAPVXWCO-HOTGVXAUSA-N 370.497 2.389 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CCC(/C(O)=N/S(C)(=O)=O)CC1 48486841 WRAKBGDGFIPTLL-UHFFFAOYSA-N 374.846 2.117 0 40 FEAB CCOCCCNC(=O)[C@H](NC(=O)c1ccccc1O)c1ccccc1 3626094 XMPQHWJCIKZCER-GOSISDBHSA-N 356.422 2.406 0 40 FEAB O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1C(F)(F)F 13535752 XBTXGKRBJMABOG-RDBSUJKOSA-N 355.360 2.433 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C 28233112 UGHRTFGCUWCVTM-UHFFFAOYSA-N 366.365 2.184 0 40 FEAB COc1cc(CNC(C)(C)CO)ccc1Oc1nnnn1-c1ccccc1 13717741 XDHONWRFPDKNIS-UHFFFAOYSA-N 369.425 2.324 0 40 FEAB COc1ccc(CCOC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 6369080 HEQWFMZDHFSEFX-JLTOFOAXSA-N 374.437 2.282 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 6540671 INZUIBNWURLSIJ-OAHLLOKOSA-N 368.433 2.327 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)NCCc2ccc(F)cc2)c1 4927250 XGZISRUJNZIBKA-UHFFFAOYSA-N 358.369 2.300 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1CN(C)C 7064710 LJSSXMKNCFYPCF-UHFFFAOYSA-N 366.469 2.052 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1c(F)cccc1F 7248185 SRFFSCAEZJZEFZ-NSHDSACASA-N 355.362 2.425 0 40 FEAB CC(C)n1cccc1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96113728 RLLVMATWCTXATO-KRWDZBQOSA-N 368.437 2.216 0 40 FEAB biogenic CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3ncsc3c1)C2=O 8189595 NKUFDZAKTOZOLH-UHFFFAOYSA-N 358.423 2.442 0 40 FEAB OCC[C@H]1CN(C(=S)Nc2ccccc2)CCN1Cc1ccncc1 19871482 ATWLPVSZCJMCNI-SFHVURJKSA-N 356.495 2.347 0 40 FEAB O=C1CCC(C(=O)Nc2nnc(SCc3ccccc3F)s2)=NN1 8324160 LDTKFJFGJAWMHS-UHFFFAOYSA-N 365.415 2.174 0 40 FEAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 408552292 LKXUYGBSGFNEML-UHFFFAOYSA-N 363.395 2.155 0 40 FEAB Cc1nn(C)c(N2CCOCC2)c1CNc1cnn(-c2ccccc2)c1 95445304 DAKQBRJMYNVFBC-UHFFFAOYSA-N 352.442 2.363 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N(CCC(F)(F)F)CC(=O)O 95424925 MHBSMTZYJPCUAJ-UHFFFAOYSA-N 357.332 2.464 0 40 FEAB O=C(CCCCCNc1ncccn1)N1CCN(c2ccccn2)CC1 79475096 CXXYMWPBUPCYNB-UHFFFAOYSA-N 354.458 2.193 0 40 FEAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(OC(F)(F)F)cc1 61719686 XRBOLBRGLBVPLW-SNVBAGLBSA-N 359.329 2.227 0 40 FEAB Cn1cc2c(n1)N(C(=O)c1ccsc1)CC[C@@H]2NC(=O)c1ccncc1 306127129 FPEIDBHIRFLBOD-HNNXBMFYSA-N 367.434 2.398 0 40 FEAB CN(C)C(=O)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306139079 SOVPSHOFSGAZEP-IRXDYDNUSA-N 356.401 2.190 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 409126278 BKWZIDLXEPJCSD-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB O=C(Nc1ccc(F)cc1N1CCOCC1)N1CC[C@@H](n2cccn2)C1 515792204 SXLGDVLMSBTQMZ-OAHLLOKOSA-N 359.405 2.338 0 40 FEAB COc1ccc(-c2cnc(CCC(=O)N3CCC(C(N)=O)CC3)o2)cc1 63889270 GLDQEIDAQFQOAK-UHFFFAOYSA-N 357.410 2.007 0 40 FEAB CC(C)CCNC(=O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1 71286876 CEOYQDOFMBSETK-UHFFFAOYSA-N 366.893 2.334 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 40111022 XQJNQAXTUSBQIY-IBGZPJMESA-N 353.378 2.067 0 40 FEAB CCOC(=O)CS[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104812 DDXKWBDEMZWINZ-ZDUSSCGKSA-N 352.456 2.325 0 40 FEAB CCC(CC)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223068197 DPDPFRVZYKOQFR-UHFFFAOYSA-N 354.457 2.257 0 40 FEAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cc(Cl)ccc2C)c1=O 222667521 PGKWJWHRWJFORK-UHFFFAOYSA-N 365.817 2.028 0 40 FEAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-n1cnnc1 222729193 MXZBAWOIGXHADD-JKSUJKDBSA-N 353.455 2.005 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccs1)C2 96238094 RORPJFJSXVQDOD-KRWDZBQOSA-N 361.492 2.373 0 40 FEAB O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)c1ccccc1 96206748 YYDZFPIPIXXZRU-FXAWDEMLSA-N 352.438 2.425 0 40 FEAB COc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 96058260 AODFTURNXNKDPB-HSALFYBXSA-N 358.482 2.448 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96249686 ZLTPEDSOMXDKHU-IEBWSBKVSA-N 355.438 2.346 0 40 FEAB CC(=O)NCc1cnc([C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 257220210 DKAGETQQVVFSCY-LLVKDONJSA-N 353.348 2.454 0 40 FEAB C[S@@](=O)C1(CNC(=O)N2CCC(c3ccccc3C(=O)O)CC2)CC1 591269456 FKELMNARSDBKOD-RUZDIDTESA-N 364.467 2.185 0 40 FEAB COc1c(F)ccc(F)c1C(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 628855780 CIAPYULBMMANES-PRHODGIISA-N 353.325 2.267 0 40 FEAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ccccc2F)CC1 633932657 HZRYKGBXRBACEF-UHFFFAOYSA-N 367.384 2.485 0 40 FEAB CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)C1 660909585 WUCUTOWNDIFWDW-MFKMUULPSA-N 374.268 2.337 0 40 FEAB C[C@]1(C2CCN(Cc3cccc(OC4CC4)c3F)CC2)NC(=O)NC1=O 667677419 RFTCIJKVPNMEQE-LJQANCHMSA-N 361.417 2.177 0 40 FEAB CN1C(=O)C(c2[nH]c(O)nc2-c2ccc3ccccc3c2)C(=O)N(C)C1=O 604418478 WIWXARQMSUYHAF-UHFFFAOYSA-N 364.361 2.070 0 40 FEAB O=C(CN1CCC[C@](O)(COc2ccccc2)C1)NCc1cccc(F)c1 585272132 FVUIIHPIWKIIFP-OAQYLSRUSA-N 372.440 2.348 0 40 FEAB CO[C@@H]1CCN(Cc2nc(C(=O)N3CCc4ccc(F)cc4C3)co2)C1 685942034 MANIQRSLOZGZEH-MRXNPFEDSA-N 359.401 2.233 0 40 FEAB Cn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C(C)(C)C)n1 92234527 XSMMQPAOHODKDX-UHFFFAOYSA-N 362.518 2.483 0 40 FEAB COc1cccc(C(=O)NCCSc2nnnn2-c2ccccc2)c1 5234632 KMJDIYKHSDHFFE-UHFFFAOYSA-N 355.423 2.193 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)C[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 5915087 WJXZXBZHONCJPI-OLPIVMHESA-N 366.502 2.162 0 40 FEAB COC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1C(N)=O 11190045 LGLBQVKXZCUUTF-UHFFFAOYSA-N 368.798 2.305 0 40 FEAB COc1cc(N2CCN(C(=O)Nc3ccccc3C)CC2)nc(OC)n1 11765351 ZPOYTBZSCJDKLR-UHFFFAOYSA-N 357.414 2.156 0 40 FEAB C[C@H]1Cc2cc([C@H](O)CN3CCCCCC3)ccc2N1S(C)(=O)=O 12180952 PZHLDGBEXDWCRT-KBXCAEBGSA-N 352.500 2.307 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12757272 WWVJKTPAOISBDD-ZDUSSCGKSA-N 351.406 2.336 0 40 FEAB COc1cccc(NC(=O)NCC(=O)Nc2ccc(OC)cc2OC)c1 12925739 MQXCHFMJVPPPHP-UHFFFAOYSA-N 359.382 2.473 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1Cl 13006983 CXTDPRVVZJLNEC-ZDUSSCGKSA-N 374.890 2.279 0 40 FEAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)CC1 15674361 CREZOBCSBOFNCR-MSOLQXFVSA-N 370.453 2.164 0 40 FEAB biogenic,in-vitro CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)C2CCCCC2)cc1 225618857 OUPJKPJLOIEZKA-KRWDZBQOSA-N 353.484 2.080 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1ccc2c(c1)CCO2 23441920 FZSNASQUFMQZDB-UHFFFAOYSA-N 374.414 2.373 0 40 FEAB CCc1nccn1CC(=O)N1CCC(O)(COc2ccc(C)c(C)c2)CC1 2037913143 VWSHPLBZGBFFOJ-UHFFFAOYSA-N 371.481 2.495 0 40 FEAB O=C([C@H]1CN(Cc2ccc(F)cc2F)CCO1)N1CCC(F)(F)CC1 2086954048 AUECUEYCYCFIHS-OAHLLOKOSA-N 360.351 2.423 0 40 FEAB CCc1nc(SCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138938 QOZNBDKDSMJBSM-UHFFFAOYSA-N 360.414 2.021 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940623 NHJGBRKVOCHYCC-ZDUSSCGKSA-N 370.430 2.199 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O 5251767 DYTOOGAMOZJQQC-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB Cc1csc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)c1 2055750905 KNLMXYANJDQIFD-JKSUJKDBSA-N 361.467 2.387 0 40 FEAB O=C(c1ccccc1F)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782035 AIPWNDNXQGHIBT-UHFFFAOYSA-N 370.428 2.180 0 40 FEAB CCC(CC)CN1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796085 TURGUYTZCDPPQH-HXUWFJFHSA-N 360.502 2.223 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)COc2cc(C)cc(C)c2C)CC1 22573271 BAIPOPRLSYKVRI-KRWDZBQOSA-N 350.459 2.126 0 40 FEAB O=C1CN(C2CCN(c3cnc4ccccc4n3)CC2)C(=O)N1C1CC1 2298054310 WRKNTBCCCFIXNS-UHFFFAOYSA-N 351.410 2.025 0 40 FEAB COc1nc(SCC(=O)Nc2ccccc2Cl)nc(N(C)C)n1 2296009 IHRYUOSBKPYPQK-UHFFFAOYSA-N 353.835 2.330 0 40 FEAB CCn1c(O)c(C(=O)Nc2ccccc2C(N)=O)c(=O)c2ccccc21 5909335 GQDNKIQRBSTPNK-UHFFFAOYSA-N 351.362 2.078 0 40 FEAB COCCn1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cn1 40135584 RJHNSPABOHHIME-UHFFFAOYSA-N 357.458 2.316 0 40 FEAB CCn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c(O)c2ccccc21 100694620 NBGQFNKCEGIZIO-UHFFFAOYSA-N 366.373 2.386 0 40 FEAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1cccc(F)c1 4487858 RNIOLUYSZZRASJ-JAAXMTQOSA-N 367.373 2.161 0 40 FEAB COCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O 2809783 HXERSBLEHOBFAY-UHFFFAOYSA-N 374.824 2.386 0 40 FEAB CCCCNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063978 UIVYBBKNJNQPKS-UHFFFAOYSA-N 368.455 2.131 0 40 FEAB Cc1ccccc1-n1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O 22725914 ZXGCXROFQWSOMS-UHFFFAOYSA-N 353.353 2.085 0 40 FEAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C 22539826 KTFSIUSFFGHVLM-OAHLLOKOSA-N 352.500 2.461 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCc1ccccc1F 22601086 ANQCFPQPCDOSAO-UHFFFAOYSA-N 364.442 2.325 0 40 FEAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCOCC1)c1ccccc1 23991442 TXZBIARDIGQVPB-INIZCTEOSA-N 367.449 2.448 0 40 FEAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCC(N)=O)c1)CC(O)=N2 61718071 ABTXIGVXGAWRDA-SECBINFHSA-N 362.411 2.181 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 25049278 TYBYHQIUECJPAB-UHFFFAOYSA-N 373.434 2.259 0 40 FEAB O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1 57175833 ZIIUIPGKXFPVJK-UHFFFAOYSA-N 370.478 2.383 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)N(C[C@H]3CCOC3)C3CC3)cn2)C[C@@H](C)O1 108068784 XGKGCJPYYRVVNG-BZUAXINKSA-N 359.470 2.336 0 40 FEAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(=O)[nH]n1 10027552 BYPPYBNFGQHESV-UHFFFAOYSA-N 350.382 2.007 0 40 FEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCN(c2ccccc2)CC1 10112778 MLTDJHSWLFUKFZ-UHFFFAOYSA-N 373.478 2.329 0 40 FEAB COc1ccccc1CC(=O)N1CCCN(Cc2nnc(C3CC3)o2)CC1 58200960 BNHOLZUHJPKFRB-UHFFFAOYSA-N 370.453 2.233 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2ccc3[nH]cnc3c2)N2CCOCC2)o1 48289684 QFGULTTVRFEPSY-KRWDZBQOSA-N 354.410 2.268 0 40 FEAB O=c1cc2c(nn1CN1CCN(C/C=C/c3ccccc3)CC1)CCC2 58402894 RWPZHSYVJWQYOZ-VMPITWQZSA-N 350.466 2.021 0 40 FEAB Cn1ccnc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 10885778 TUIVNJUFZFBZKS-UHFFFAOYSA-N 361.395 2.147 0 40 FEAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCCN(C)C)nc4c3c2C1 2330935 XGJUACFXRVMQNI-LLVKDONJSA-N 372.498 2.145 0 40 FEAB CCCNC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482327 SRCLWDPZXXFXJS-UHFFFAOYSA-N 366.373 2.170 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2cncn2)cc1 12918351 KYEVINFFGGTATH-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB O=C1COc2ccc(S(=O)(=O)NCC3(c4ccccc4)CC3)cc2N1 8783041 OCZGSQOINIKMMJ-UHFFFAOYSA-N 358.419 2.028 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 6060145 FNCYOVCYNVWENZ-UHFFFAOYSA-N 362.769 2.124 0 40 FEAB CC1(C)CC(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2O1 13718864 ABCMIVXPORRZGS-UHFFFAOYSA-N 357.410 2.212 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NCCc1ccc2c(c1)OCO2 14199569 AMJGHNZBPNPTMT-UHFFFAOYSA-N 350.378 2.277 0 40 FEAB O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)NC1CC1 5452516 VJNNNUYEVVOKEJ-UHFFFAOYSA-N 355.442 2.405 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc(F)c(F)c1 6544476 WCWJGIWPQTYTOV-UHFFFAOYSA-N 358.300 2.101 0 40 FEAB Cc1cc(OCC(=O)NNC(=O)Cc2c(Cl)cccc2Cl)no1 6651871 BMXRVPQSAONFIS-UHFFFAOYSA-N 358.181 2.059 0 40 FEAB CCN(CC)C(=O)[C@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 66325360 LMBVIGAOSPAVKY-AWEZNQCLSA-N 351.472 2.008 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)cc1OC 4852304 MDGWWNBMHBQOND-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](C(N)=O)C3)ccc2c1 7447329 KQBALYISJKLSDH-GOSISDBHSA-N 369.465 2.004 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCC1 9226142 UASSECDYCVECMG-SNVBAGLBSA-N 360.863 2.074 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408653462 JDTYNLVHOZPDPO-ZIAYSOEUSA-N 363.797 2.328 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c12 97134573 QCPUFPAQJPOHGS-UHFFFAOYSA-N 374.397 2.047 0 40 FEAB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(N)=O 96635151 SNTLSQCMEWUXIW-OQLLNIDSSA-N 366.373 2.212 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1O)OC(C)(C)C2)C(=O)NCc1ccco1 78441327 PUMXROCFZWAEDQ-NSHDSACASA-N 358.394 2.133 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 72403425 FHWISAKNVBNOLO-UHFFFAOYSA-N 358.872 2.272 0 40 FEAB O=C(NCCn1ccc2ccc(F)cc21)c1ccc(-n2cnnn2)cc1 72401344 HCMGXSOGCJXKRP-UHFFFAOYSA-N 350.357 2.186 0 40 FEAB CCOC(=O)C1=C(CSc2cnccn2)NC(=O)N[C@H]1c1ccccc1 84792446 BMJDWUHPYFPYOO-INIZCTEOSA-N 370.434 2.440 0 40 FEAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21 84774036 YROFKZZOJBWOOM-UHFFFAOYSA-N 374.347 2.215 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCN(c2nccs2)CC1 89893840 AAQXPYRUSFPHGT-CQSZACIVSA-N 362.503 2.460 0 40 FEAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2cnn(C(C)C)c2)C3)n1 306139871 UDBGFNNRWWQTPZ-KRWDZBQOSA-N 357.458 2.375 0 40 FEAB O=C(c1cc(O)nc2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524729558 YJGIMTHXHWMVML-QWQRMKEZSA-N 365.433 2.413 0 40 FEAB biogenic O=C(NCc1cccnc1)c1cc(-n2cnnc2)ccc1Br 35684178 WNNWUILIQOXTAH-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccc(F)cc2)cc1F 36392447 XPKQPEGJZMZRBA-UHFFFAOYSA-N 354.378 2.445 0 40 FEAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)C1 72374040 CVHBRNGYMBASNW-INIZCTEOSA-N 357.433 2.159 0 40 FEAB Cc1cc(CCNC(=O)N2CC[S@@](=O)C(C)(C)CC2)cc(C)c1O 567329712 IPAPSOAXIAHYQY-XMMPIXPASA-N 352.500 2.494 0 40 FEAB COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760886 ATDMJRFCXWHZTN-KRWDZBQOSA-N 354.450 2.409 0 40 FEAB Cn1cc(/C=C/C(=O)N[C@H](c2ccccc2)C2CCCC2)c(=O)n(C)c1=O 47917773 MXFAJOIJECGUPJ-JXOMPUQVSA-N 367.449 2.145 0 40 FEAB Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040379 AADCZWHOXDNGAO-QFBILLFUSA-N 357.410 2.468 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)o3)C[C@H]1CN(CCOC)C2 96055961 IEMMPGFCMXDKOS-PXNSSMCTSA-N 364.486 2.312 0 40 FEAB Cc1cccc(C(=O)N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1 96249754 QGPIHCARPRSDEE-QZTJIDSGSA-N 352.438 2.153 0 40 FEAB Cn1nccc1C(=O)N1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 257208942 BOEJKFXFCIUFGL-ZWOKBUDYSA-N 352.438 2.435 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cnccn3)C2)n1 257306434 SUGQEYHTBQCSKB-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB C[C@]12C[C@@H](c3ccccc3)N(CC(=O)N3CCCC3)[C@H]1CCCC(=O)N2 257324061 WMYOCTRJYFLKMT-WFXMLNOXSA-N 355.482 2.483 0 40 FEAB Cc1cc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)n2ncnc2n1 275663647 LEQVBVZESYSWGM-KRWDZBQOSA-N 351.458 2.319 0 40 FEAB O=C1CCN(c2ccccc2C(=O)N(Cc2cncs2)C2CC2)C(=O)N1 63868409 IOPXIZQAXIJPCS-UHFFFAOYSA-N 370.434 2.394 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCCSC[C@H]2CN(C)C)cc1C 90608994 YWZGPDUBIIEPQF-OAHLLOKOSA-N 372.556 2.452 0 40 FEAB CN1CCc2c(NS(=O)(=O)c3ccc(F)cc3F)cccc2C1=O 1256078148 YISIRJVSJRJSMT-UHFFFAOYSA-N 352.362 2.394 0 40 FEAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@H]12)C1CC(O)C1 585109605 CYOHBEUELUOSJL-ORMRTKFESA-N 363.461 2.239 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 5060204 BPBJTVYZSZRLIR-SFHVURJKSA-N 370.405 2.231 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4C[C@@H](C)C[C@H](C)C4)nc3c2c1C 12181261 VDYPDQPRHKGUOF-QWRGUYRKSA-N 373.482 2.227 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)N(Cc3cccnc3)C3CC3)ccc21 12222300 VGHJVTNLAPHTSL-UHFFFAOYSA-N 373.434 2.363 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)o1 12222902 JSXXOPRHPHEXHV-UHFFFAOYSA-N 354.410 2.308 0 40 FEAB Cc1ccsc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 19238708 KFHHOGDXKWMBBO-UHFFFAOYSA-N 353.451 2.198 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19590561 AKWPUKFKYOLQGR-KRWDZBQOSA-N 352.438 2.450 0 40 FEAB Cc1c(C(=O)N2CCOCC2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817114 JKRJHNQXNBVCMI-UHFFFAOYSA-N 357.801 2.226 0 40 FEAB O=C([C@H]1CN(Cc2ccccc2Br)CCO1)N1CCCC1 1889128479 JSHGEIBRWCJLAY-OAHLLOKOSA-N 353.260 2.272 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 24771107 CAPGZKQGYWXWLR-CQSZACIVSA-N 372.425 2.073 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 20807160 XKPQBHXMSIDCFI-INIZCTEOSA-N 350.459 2.324 0 40 FEAB Cc1cc(N2CCN(Cc3nc(C(C)C)no3)CC2)nc(N2CCCC2)n1 2086884664 FWOMNYPQIYAOSP-UHFFFAOYSA-N 371.489 2.214 0 40 FEAB Cc1nc(N2CCCN(c3ccc4nccn4n3)CC2)c2ccncc2n1 2086867500 SSMQLILBTJYCLW-UHFFFAOYSA-N 360.425 2.093 0 40 FEAB O=S(=O)(CCc1ccccc1)NCCN1CCO[C@@H](c2ccccc2)C1 36700164 HWZXKPLLXNHCHX-HXUWFJFHSA-N 374.506 2.222 0 40 FEAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cccnc3)Cc3ccccc32)cn1 575620316 SNGBMQHFWOOMSC-SFHVURJKSA-N 354.435 2.152 0 40 FEAB O=C(Nc1ccc2nn[nH]c2c1)C1CCN(c2cc3c(nn2)CCC3)CC1 585150150 DHUZJOBFQRKFSN-UHFFFAOYSA-N 363.425 2.092 0 40 FEAB CC(C)n1cc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cn1 96101490 VBYVJQORHYUDNP-KRWDZBQOSA-N 352.438 2.402 0 40 FEAB COc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C(C)C)cc1 39983220 AMYQOBNHULUYCO-KRWDZBQOSA-N 373.453 2.373 0 40 FEAB Cc1nc2c(c(N3CCC(NC(=O)c4ccncc4)CC3)n1)CCCC2 225739518 KWFNGOGLYBWULA-UHFFFAOYSA-N 351.454 2.458 0 40 FEAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)CCc2cccs2)C1 40151038 XKTHWVYORGFHHG-NSHDSACASA-N 350.469 2.410 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(N2CCOC2=O)c1 40133351 PKPZCFBZGZXHKI-UHFFFAOYSA-N 366.439 2.329 0 40 FEAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20358789 OIVOWYCVFDPGGC-STQMWFEESA-N 359.426 2.311 0 40 FEAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1CCC1=CCCCC1 100930093 HGGURTDNYYZEBZ-SFHVURJKSA-N 367.449 2.368 0 40 FEAB CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]c(C)n3)CC2)[C@H]1O 20774748 LCTQQMSOTDHSIB-MOPGFXCFSA-N 368.481 2.259 0 40 FEAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(CCc2ccccn2)CC1 20897252 PFAJMHDECSPXBX-INIZCTEOSA-N 357.429 2.375 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCCN1CCc2ccccc2C1 32400424 IQKRXCJCGGPAKC-UHFFFAOYSA-N 366.421 2.003 0 40 FEAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCc1ccco1 32752942 MXKONNDOPXBNGX-UHFFFAOYSA-N 361.423 2.451 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)C)nnc12 3375395 KFXLTJLVZDVTKD-UHFFFAOYSA-N 359.455 2.071 0 40 FEAB CCOC(=O)c1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 4318889 PWSBJHFYYSSHSE-OAHLLOKOSA-N 360.366 2.028 0 40 FEAB CCOc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 4493008 DQJCNKUSDCOBCB-UHFFFAOYSA-N 366.373 2.290 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)no1 7231556 ONMMOLIUEOURBX-HIFRSBDPSA-N 371.393 2.074 0 40 FEAB COc1ccc(N(CCC(N)=O)C(=O)COc2ccc(C(C)=O)cc2)cc1 53216210 WKVMTHVLCMRIGN-UHFFFAOYSA-N 370.405 2.185 0 40 FEAB COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1F 8480940 WTDKOIPSQPPAKY-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB Cc1cccc(OCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 8605415 ZKWIMYLYSHQJLT-UHFFFAOYSA-N 371.418 2.459 0 40 FEAB Cc1csc(NC(=O)c2cc(Br)ccc2-n2cnnn2)n1 12390842 SXFVBSVKHQUVPH-UHFFFAOYSA-N 365.216 2.442 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 804596 XHLUZVFXISRGCO-MRXNPFEDSA-N 352.456 2.225 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)c1C 23078506 KUDVMVOZFFTMKQ-PXNSSMCTSA-N 373.522 2.406 0 40 FEAB NC(=O)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 23350558 LKXFDGUDIZYTJN-UHFFFAOYSA-N 365.846 2.025 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)COc2ccccc21 57638463 PNGJGZVRZZFOGC-UHFFFAOYSA-N 368.389 2.189 0 40 FEAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CC(=O)N=c1[nH]c2ccccc2[nH]1 61721124 JVSGHIIHMNMTGX-GOSISDBHSA-N 363.421 2.473 0 40 FEAB Cc1csc2nc(CN3CCN(C(=O)c4ccccc4)CC3)cc(=O)n12 24840208 SSUGNCPPRBDGNG-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB O=C1CSC(=O)N1[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28284046 BUYPLFRPFOWGBK-STQMWFEESA-N 372.443 2.111 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 108533773 AGJCKXRJOVCAJU-AWEZNQCLSA-N 352.504 2.236 0 40 FEAB CCn1c(=O)n(C[C@@H](O)COc2ccc(C(=O)OC)cc2)c2ccccc21 44349150 MGNRPJJKDGTZTN-OAHLLOKOSA-N 370.405 2.049 0 40 FEAB C[C@H](Sc1nnnn1C1CC1)C(=O)NCCCc1ccc(N(C)C)cc1 58099747 WXUYSUQKDDTSAQ-ZDUSSCGKSA-N 374.514 2.304 0 40 FEAB O=C(Nc1ccccn1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58208926 DEILYURBYOCFFO-HZPDHXFCSA-N 362.389 2.294 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)n1 100113255 DTNSRNFFBSGRMH-ZVZYQTTQSA-N 371.412 2.149 0 40 FEAB CC(C)(C)c1ccc(CCNC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1 58280581 JVIRKDCCFAJZHY-UHFFFAOYSA-N 368.441 2.444 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)c1cccc(Nc2ncccn2)c1 48289222 OGSVFBCIRJYYSL-UHFFFAOYSA-N 372.392 2.126 0 40 FEAB CCNC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25355133 LXRYXYYAOURNEK-UHFFFAOYSA-N 364.799 2.402 0 40 FEAB NC(=O)CCN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 58530832 ZUMRDIAURFMWRA-OAHLLOKOSA-N 355.369 2.160 0 40 FEAB CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3390927 XCFWNQHSEOHPEZ-UHFFFAOYSA-N 353.440 2.243 0 40 FEAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)[nH]1 12748413 RAOMAYFTKVWJLB-LJQANCHMSA-N 353.378 2.044 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 3464856 HVRHHJFYCKBGED-CWTRNNRKSA-N 357.410 2.328 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccc(C)cc2)CC1 13018614 WKRUYINQCYCLJG-UHFFFAOYSA-N 368.499 2.084 0 40 FEAB O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408493953 MLUPZFXPTKXJIY-OUAUKWLOSA-N 371.842 2.352 0 40 FEAB CC(C)NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 14072621 BDPSLDYRVPBILO-UHFFFAOYSA-N 364.446 2.344 0 40 FEAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(O)nc1 14120688 HXDLWNUSVXNPOR-UHFFFAOYSA-N 364.199 2.260 0 40 FEAB NC(=O)[C@@H]1CCCN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 14123283 HDAAJYPXRASPLV-ZWKOTPCHSA-N 365.433 2.103 0 40 FEAB CCCCN(C(=O)c1ccccc1F)c1c(N)n(CCC)c(=O)[nH]c1=O 6509211 DBOUQHNVRAAYDG-UHFFFAOYSA-N 362.405 2.115 0 40 FEAB O=C(COc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5752528 WRBYTMXEFHCKEK-UHFFFAOYSA-N 360.435 2.489 0 40 FEAB COc1cc2nc(CSc3nnc(C)n3C3CC3)[nH]c(=O)c2cc1OC 6934693 NWFSDYICVAYWHX-UHFFFAOYSA-N 373.438 2.467 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)Cc2ccccc2OC)cc1 7035261 FPXSHNMMDMQQPJ-UHFFFAOYSA-N 357.362 2.206 0 40 FEAB CCCNC(=O)CSc1nnc(SCC(=O)NC2CCCC2)s1 7290174 OZJVZYWOPRNGCH-UHFFFAOYSA-N 374.557 2.307 0 40 FEAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)s1 7481493 WLDFXCCBJDCFPT-SSDOTTSWSA-N 353.425 2.104 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 68975695 DCQONNARPNQINN-AWEZNQCLSA-N 366.462 2.240 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@@H](CN2CCOCC2)C1 70057582 SJKLFBCQYRXAEG-KRWDZBQOSA-N 370.497 2.464 0 40 FEAB Cn1nc(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O 9450576 JZISUWQLWQPXJB-UHFFFAOYSA-N 373.315 2.436 0 40 FEAB Cc1ccn2c(=O)cc(CSc3nnnn3Cc3cccs3)nc2c1 9641170 RDLNWJKWTMEDOG-UHFFFAOYSA-N 370.463 2.392 0 40 FEAB CC(C)c1nc(S[C@@H](C)C(=O)N2CCNC2=O)nn1-c1ccccc1 9864997 FCAITFUHQJWPMA-LBPRGKRZSA-N 359.455 2.423 0 40 FEAB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 78797005 VKMQQGSOBUUFBS-UHFFFAOYSA-N 367.379 2.211 0 40 FEAB COc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 22230596 XAWRMPPLUBUALV-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB C[C@@H](NCc1cnn([C@H]2CCS(=O)(=O)C2)c1)c1ccc(F)cc1F 79100037 YGKUCKYTRQJEJQ-RISCZKNCSA-N 355.410 2.372 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)c2ccc(Br)cc2)C1=O 95980847 DITVAIKMFBTXTR-ZWNOBZJWSA-N 367.243 2.205 0 40 FEAB COC(=O)C[C@@H](NCC(=O)NCc1cccc(OC)c1)c1cccs1 95941217 BEEHZKQQSOIEPX-OAHLLOKOSA-N 362.451 2.267 0 40 FEAB C[C@H]1[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCN1C 95996533 YSCJBXNBDWGETN-WDEREUQCSA-N 361.414 2.239 0 40 FEAB C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 89905717 LOJVENLXMAQYDG-ZDUSSCGKSA-N 355.394 2.457 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 22869303 VWBLHFISWPUNSU-UHFFFAOYSA-N 365.389 2.291 0 40 FEAB Cc1nc2n(c(=O)c1C)CN(CCCN(C)C)CN2c1ccc(F)cc1 38829917 DPVWMRLQWCWGEP-UHFFFAOYSA-N 359.449 2.320 0 40 FEAB O=C(Cc1ccoc1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 121866513 ZPUFNVOUGUMZEM-LJQANCHMSA-N 368.481 2.278 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 79492209 WULNLWKGDGSLPF-KRWDZBQOSA-N 368.437 2.278 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327608 SHIDHQNHTZUCRD-VLIAUNLRSA-N 358.438 2.316 0 40 FEAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1 224851959 DOWFUTNRVREJTB-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB CN1CCO[C@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 329456622 QIKSEKVTHOVQDR-QGZVFWFLSA-N 352.500 2.343 0 40 FEAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226278031 CGLGFRPFOSZITO-UHFFFAOYSA-N 373.375 2.140 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225521744 MCFFFJUDTBWBFF-LSDHHAIUSA-N 352.438 2.053 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(F)cc1 226388862 SKTLOHGDCDQMBF-ZXLDYLNASA-N 354.381 2.189 0 40 FEAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1cccc3cccnc13)CS2 85473765 OCSYCZPAJDUWEP-CYBMUJFWSA-N 352.419 2.461 0 40 FEAB Cc1csc2ncnc(N3CCC(CNC(=O)c4cnn(C)c4)CC3)c12 582108974 ZAYPCFQYSPGYAJ-UHFFFAOYSA-N 370.482 2.380 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96049571 VLWHOMXWORAVAS-FQEVSTJZSA-N 352.438 2.236 0 40 FEAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ncccc1C(F)(F)F 1588128238 LGMRBXQBKHBKMT-SNVBAGLBSA-N 370.352 2.401 0 40 FEAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)c3ccccc3F)CC2)N1 96199954 YKVNGBMOVGZTSC-MRXNPFEDSA-N 353.397 2.499 0 40 FEAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)[C@H]2CCCO2)CC3)n1 96228310 PUZUBVUBGSTIRJ-QGZVFWFLSA-N 357.454 2.053 0 40 FEAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)no1 331462561 ZIRUMWDHLKZCDU-ZDUSSCGKSA-N 363.439 2.356 0 40 FEAB CCN1C[C@@]2(CC1=O)CN(Cc1cccs1)CCN(C(=O)C(C)C)C2 97952785 DBACVCVOUMMMTP-LJQANCHMSA-N 363.527 2.287 0 40 FEAB O=C(CCc1ccc2c(c1)CCO2)N1CCn2c(nnc2C(F)(F)F)C1 95473757 FUJSRIHUSFHDEE-UHFFFAOYSA-N 366.343 2.207 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3ccco3)C2)C1 96100151 GVRGMMWQEYLLRT-FQEVSTJZSA-N 353.422 2.372 0 40 FEAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2ccc4c(c2)OCO4)C3)cn1 248339299 SRMYCGZRGALABZ-HNNXBMFYSA-N 355.394 2.018 0 40 FEAB Cc1occc1C(=O)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247991259 AWUAAJXVIGHTRO-OAHLLOKOSA-N 357.410 2.468 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1 257310286 UEMPNGINVBUBSL-LBPRGKRZSA-N 355.364 2.350 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1Cl 257291067 QFMNJKFRBPHIES-CJNGLKHVSA-N 352.862 2.384 0 40 FEAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)CN(C)C)CCO2)n1 257328047 XDWRMZKGSAWNKL-HXUWFJFHSA-N 353.466 2.442 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)Cn3ccnc3)C2)cn1 257336997 YQXVSPRDAGHDDM-OAHLLOKOSA-N 366.425 2.036 0 40 FEAB CC[C@H](C)[C@@H](C(=O)Nc1nc(C(=O)OC)c(C(C)C)s1)n1cnnn1 604419639 KNPGSECISXZNED-ONGXEEELSA-N 366.447 2.266 0 40 FEAB Cc1ccc2ncnc(N[C@@H]3CCCN(CCN4CCOCC4)C3)c2c1 641719786 WZSXRTRHIYGNMH-QGZVFWFLSA-N 355.486 2.147 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2cccnc2)c1 575402339 AWFOXAYZVPHIJX-QGZVFWFLSA-N 353.422 2.485 0 40 FEAB O=C(O)c1ccc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cc1 585278161 RBOMPRIYWDTEKZ-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H](CC(=O)O)C2)c1 583801762 MXQZTSLIYYNAFG-QWHCGFSZSA-N 363.414 2.379 0 40 FEAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCc1noc2ccccc12 585123403 FKRKFRVXUZMBGZ-UHFFFAOYSA-N 374.344 2.101 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2cc(C)oc2C)cc1NC(C)=O 55883159 YIQWJRUXQSRWQT-UHFFFAOYSA-N 359.382 2.232 0 40 FEAB COc1ccc(C[C@@]2(O)COc3cc(OC)c(OC)c(OC)c3C2=O)cc1 96905619 XPJYOBQMHUPHPG-HXUWFJFHSA-N 374.389 2.270 0 40 FEAB biogenic,in-vitro O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NC1CCCCC1 1549160545 GRFJUGGNEMVKEF-IPMKNSEASA-N 360.433 2.135 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cccnc2)C1 19562038 QIPZFNBFNCMKCV-HXUWFJFHSA-N 351.406 2.051 0 40 FEAB CN1CCN(C(=O)CCc2ccccc2)C[C@@H](Cc2ccccn2)C1=O 19695555 YWISJRNXQNQGIQ-GOSISDBHSA-N 351.450 2.174 0 40 FEAB Cn1nncc1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 153099127 NINDTUSPEHLGSD-UHFFFAOYSA-N 354.241 2.080 0 40 FEAB O=C(N/C(=C\c1ccco1)C(=O)N1CCC[C@@H](CO)C1)c1ccccc1 4648902 DQIHSPDOWNABKK-PWDRBQJJSA-N 354.406 2.281 0 40 FEAB CC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2cccc(Br)c2)C1 652389780 GGVSFDCDIWFRNW-KBPBESRZSA-N 355.232 2.175 0 40 FEAB O=C(CSCc1ccccc1)NCc1nc(-c2cccnc2O)no1 238823185 DCZSQJXFWPPGKO-UHFFFAOYSA-N 356.407 2.387 0 40 FEAB CN(C)C(=O)[C@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226360 PRCDXRJAXQUSEK-WBVHZDCISA-N 372.387 2.154 0 40 FEAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(Cl)cc3)c2=O)c1 2973284 DCBRZZAIMOAYHQ-UHFFFAOYSA-N 371.780 2.440 0 40 FEAB CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C 4325508 ZSQRCPGDCRJULK-UHFFFAOYSA-N 352.437 2.457 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)no1 2055751226 WWPMYTWXXVILTB-IBGZPJMESA-N 356.426 2.158 0 40 FEAB O=C(C1CCOCC1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055750880 IAAFIBRRNPHJFC-UHFFFAOYSA-N 371.481 2.119 0 40 FEAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2cc(C(F)(F)F)ncn2)C1 2086861071 DEJBBIKXDZARNN-AWEZNQCLSA-N 355.295 2.448 0 40 FEAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cc(Cl)ccc1OC)CC2 278733392 IDLVXNGDJGHRSP-LBPRGKRZSA-N 373.858 2.312 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1 618255627 UVSCROQBLUNKGX-OAHLLOKOSA-N 368.436 2.160 0 40 FEAB COc1cccc(CC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 40107019 VLPBCZFEAHISFG-CYBMUJFWSA-N 362.451 2.487 0 40 FEAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)cc1 40146655 SHIQJSSICUCMTA-UHFFFAOYSA-N 357.391 2.448 0 40 FEAB O=C(NCc1ccccc1Cl)C1CCN(c2ccc3nncn3n2)CC1 20744849 QONWCVQUAAOFMS-UHFFFAOYSA-N 370.844 2.311 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C)n[nH]c2c1 91825103 FQJCLSWHWVNSPI-HNNXBMFYSA-N 350.444 2.014 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C)cc1 32821082 KTBFBDVRPINJJV-QGZVFWFLSA-N 369.421 2.198 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 102407607 VMFGFLCXPLOUOF-JKIFEVAISA-N 367.515 2.290 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc2C)c1 102608179 AOALFSXXHFNACC-JOCBIADPSA-N 351.406 2.215 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4518038 KMELWNWVKVSYEI-UHFFFAOYSA-N 358.375 2.188 0 40 FEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12322910 ZZNPPAFMPPSTPJ-GFCCVEGCSA-N 354.428 2.175 0 40 FEAB Fc1ccc([C@H](CNc2nnnn2-c2ccccc2)N2CCOCC2)cc1 23381265 GJYLSHAATDKEFG-SFHVURJKSA-N 368.416 2.287 0 40 FEAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccnc1OCC(F)(F)F 24687037 ZSDRNDPLBKWXLJ-UHFFFAOYSA-N 364.287 2.251 0 40 FEAB Cc1ccccc1OCCNC(=O)CCc1c(C)nc2ncnn2c1C 55954760 ZIYJWELLPBLNTP-UHFFFAOYSA-N 353.426 2.177 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 109051170 PENZGXZYFOBERB-ROUUACIJSA-N 369.465 2.232 0 40 FEAB O=C(CCC(=O)c1ccc(F)cc1F)NCCC(=O)Nc1ccccn1 58146323 ITRBWEDXWZEOSN-UHFFFAOYSA-N 361.348 2.468 0 40 FEAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2117881 HNPIQGSCCFRCHL-ZBEGNZNMSA-N 373.405 2.419 0 40 FEAB biogenic CCOc1ncccc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 58371775 IJZDBZQCESWIRW-UHFFFAOYSA-N 365.315 2.472 0 40 FEAB CCNC(=O)CN(CC)c1ncnc2sc(C(=O)OCC)c(C)c12 78705874 MMPKMCRZMSFSRH-UHFFFAOYSA-N 350.444 2.139 0 40 FEAB O=C(O)CSc1nc(SCC(=O)O)c2c3c([nH]c2n1)CCCC3 2286530 FKBAGZZGTHHSIH-UHFFFAOYSA-N 353.425 2.190 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1Cc1ccccc1 12744859 HVXZJPIYURFORK-UHFFFAOYSA-N 359.389 2.349 0 40 FEAB COCCCNC(=O)CN(C)c1nn2cc(-c3ccccc3)nc2s1 12793964 FHUZQHCWCDGAJD-UHFFFAOYSA-N 359.455 2.047 0 40 FEAB COc1ccc([C@H](CNC(=O)c2nccnc2N)N2CCCCC2)cc1 12766632 OVPKUCNYSRIBOK-INIZCTEOSA-N 355.442 2.024 0 40 FEAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)N3CCOCC3)o2)cc1 48325917 CCNJSZIYNRURPQ-ZDUSSCGKSA-N 363.439 2.296 0 40 FEAB Nc1nnc(SCC(=O)NCC2(c3ccccc3)CCOCC2)s1 48365454 HNGDHHOFEFEMAV-UHFFFAOYSA-N 364.496 2.077 0 40 FEAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)c1 12870059 MJMSYTWQAFZKLX-LLVKDONJSA-N 367.361 2.116 0 40 FEAB Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 3442809 FFTRQFPQSBKDDY-UHFFFAOYSA-N 358.419 2.440 0 40 FEAB COCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O 3493669 NWDZDKNDWGLYIA-UHFFFAOYSA-N 361.467 2.148 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3592619 VRTOVEXJMDSOOR-UHFFFAOYSA-N 357.410 2.328 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 13690281 ISSOAOUXGPIYBF-CQSZACIVSA-N 372.450 2.306 0 40 FEAB Cc1nc(N2CCO[C@H](C(N)=O)C2)c2cc(-c3ccccc3)sc2n1 65233359 OHVKOQULKQOIKR-AWEZNQCLSA-N 354.435 2.357 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 39998424 JKFYMLBLGSXRPN-SFHVURJKSA-N 350.418 2.222 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)N[C@](C)(C(=O)OC)c2ccccc2)cc1 65585396 VUIQVMZRPDDEKX-KVDXNUTJSA-N 366.417 2.264 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14140701 FQKIPROECVQBJF-GOSISDBHSA-N 361.461 2.278 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 4501314 CMFIRUTYTXGPOM-MRVPVSSYSA-N 367.456 2.227 0 40 FEAB O=c1c2ccccc2nnn1CSc1nnnn1-c1cccc(Cl)c1 14244351 HYUGPECSDPLNGQ-UHFFFAOYSA-N 371.813 2.170 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1cc(C(=O)NC2CC2)c2ccccc2n1 9501960 XOMYKPDRMIININ-JTQLQIEISA-N 372.450 2.063 0 40 FEAB CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(OC)cc23)CC1 6503764 WOJQVRVHNGYOSI-UHFFFAOYSA-N 355.398 2.398 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)ccc12 6658757 VDWNCAZMCANXKE-QGZVFWFLSA-N 353.374 2.330 0 40 FEAB biogenic Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1C(N)=O 66440495 OMROWFMJRXNTKI-GOSISDBHSA-N 365.433 2.266 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccncc1 71335718 QMUXYDSOKYMEJI-CQSZACIVSA-N 371.416 2.080 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)N(c2ccccc2)C2CCCCC2)C1=O 5878481 JUXVTHOIACLKCK-UHFFFAOYSA-N 357.410 2.163 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 7478834 NCYHREQKCJESNY-FQEVSTJZSA-N 353.422 2.023 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 9516079 UITFXTGCSIWQBF-QGZVFWFLSA-N 367.808 2.158 0 40 FEAB Cn1cc([C@@](C)(O)CNC(=O)CCc2ccccc2OC(F)(F)F)cn1 72295025 KPOVLQDILLIZFZ-INIZCTEOSA-N 371.359 2.275 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 17153552 KTSVSMRZMCRDAU-CQSZACIVSA-N 374.462 2.125 0 40 FEAB CC(=O)N[C@H](CC(=O)NCc1nc(C)n2c1CCCC2)c1ccccc1 95444709 UYYJVZNANWRULQ-QGZVFWFLSA-N 354.454 2.412 0 40 FEAB CCOc1ccc2nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc(C)c2c1 20673206 JRTHPECKIZPSQN-UHFFFAOYSA-N 355.398 2.007 0 40 FEAB CCn1ccnc1CN(C(=O)CC1(COC)CC1)[C@H]1CC12CCNCC2 519646585 ALMKACXNQOWCKR-INIZCTEOSA-N 360.502 2.190 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(CC)CC)cc1Cl 39985926 JMMKLQIRDQDPIJ-UHFFFAOYSA-N 362.879 2.228 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nccs1 71745160 ZUAUDZMGJCSQEF-KRWDZBQOSA-N 356.407 2.081 0 40 FEAB biogenic COC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217581552 ZPFZZZUSVBVTGM-GFCCVEGCSA-N 370.471 2.443 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 36182857 IXJJXGNDOFZWJO-UHFFFAOYSA-N 366.346 2.316 0 40 FEAB CCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339020 XOIFHGZGMWBMCE-SZUSHISOSA-N 372.465 2.484 0 40 FEAB CC1=NC(=O)C2(CCN(c3cc(-c4ccccc4)nc4ccnn34)CC2)N1 72144701 JAUXWEIWGQGYLR-UHFFFAOYSA-N 360.421 2.284 0 40 FEAB CC(C)[C@H](N)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1 79413247 FAXMFFCLUNEZRW-SFHVURJKSA-N 361.486 2.477 0 40 FEAB Cc1ccc(Nc2nccc([C@@H]3CCCN(CC(=O)N(C)C)C3)n2)nc1 72377910 ZTZNQVZFDLQOQH-OAHLLOKOSA-N 354.458 2.191 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)N1CCc3ccccc3C1)oc(=O)n2C 223338269 JORGNXLMTRUDRS-UHFFFAOYSA-N 358.419 2.187 0 40 FEAB COC(=O)c1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc12 222595853 SJFIEAHFAWYCTC-UHFFFAOYSA-N 373.386 2.436 0 40 FEAB Cc1ccnc(-c2noc(CN3CC4(CCOCC4)CC[C@H]3CO)n2)c1 528642971 YNQKXSHARAAVQJ-HNNXBMFYSA-N 358.442 2.194 0 40 FEAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1CC 223671736 CYZNAYARGAIUGV-IAGOWNOFSA-N 358.467 2.439 0 40 FEAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)cc1 225937832 ZPFIJFSHEKKISW-FZKQIMNGSA-N 358.419 2.242 0 40 FEAB Cn1cc(-c2cnc(-c3cccnc3)nc2)cc1C(=O)NCC(C)(C)CO 96266390 WKGZOOFQUHWFMV-UHFFFAOYSA-N 365.437 2.292 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3cnn(C)c3)C[C@H]1CN(CC(C)C)C2 96055927 WLJXXHMJRRUVPR-ICSRJNTNSA-N 362.518 2.153 0 40 FEAB O=C(O)CC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 96182855 KRBACRNSYPDOCQ-HNNXBMFYSA-N 369.439 2.331 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cncc(OC(C)C)c1 331879119 IECLBBRLDIARMD-QGZVFWFLSA-N 358.442 2.433 0 40 FEAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C1(C(F)F)CCCC1 581132061 GXWHQQOJEJVBFY-NSHDSACASA-N 359.394 2.163 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)C2CCC2)C1 96244542 RFMATVYREVLUEX-HXUWFJFHSA-N 356.470 2.407 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(Cc4cncs4)C3)ccnc12 257336946 YQSFNYYIDXZKNV-CYBMUJFWSA-N 370.482 2.267 0 40 FEAB Cc1cccc(C(=O)N2CCC(c3cc(O)n4nc(C)cc4n3)CC2)n1 257207938 BJYXGAUSGSEIOZ-UHFFFAOYSA-N 351.410 2.467 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cnn(C)c1 585655647 SLESFPKFAWGIHC-IRXDYDNUSA-N 357.458 2.028 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)ncn1 257221853 DQUSUQCNIBNGRP-HNNXBMFYSA-N 351.410 2.135 0 40 FEAB C[C@@]1(NC(=O)c2cncc(Cc3ccccc3F)c2)CCS(=O)(=O)C1 257308128 TVNBVXGWQFYNCT-GOSISDBHSA-N 362.426 2.119 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)NC1(c2noc(C(F)F)n2)CCC1 646826861 IQUNEGBFFQHWKB-UHFFFAOYSA-N 365.262 2.418 0 40 FEAB CCN1CCO[C@@H](CNc2cc(C)nc(C3CC3)n2)[C@@H]1c1cnn(C)c1 664313899 ZNESDXUBIVMZEH-WMZOPIPTSA-N 356.474 2.270 0 40 FEAB Cc1nc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)no1 1775995890 MGUNZUMDDWVUCN-LLVKDONJSA-N 368.235 2.222 0 40 FEAB COCc1nc(OC)cc(N2CCN(c3cccc4[nH]ccc34)CC2)n1 624636536 OTFMCVNSAFQQQS-UHFFFAOYSA-N 353.426 2.440 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)cc1 585103723 ZGPTWWHQCNEFPR-QGZVFWFLSA-N 364.511 2.058 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 57709132 WVTUHTBOQIMKEU-UHFFFAOYSA-N 351.346 2.068 0 40 FEAB Cc1ncc(C(F)(F)F)cc1C(=O)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615588068 BPPBRINNPJZYAK-LSDHHAIUSA-N 369.387 2.249 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2F)CC3)C1 19709550 AEKLYGWHJVDUIM-KRWDZBQOSA-N 371.460 2.201 0 40 FEAB COc1cccc(CC(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 11706982 ZBPJZKRHTQZYQN-ZDUSSCGKSA-N 371.389 2.215 0 40 FEAB Cn1ncc2c1CCc1sc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)nc1-2 12219849 OGUUMEKUEVXMAJ-JTQLQIEISA-N 373.482 2.228 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 14373732 KRTOOXSLWTXOIO-QGZVFWFLSA-N 360.435 2.286 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 17856303 KMPXDUOEOYUBOW-HNNXBMFYSA-N 357.454 2.149 0 40 FEAB Cc1ccc(-c2nc(C3CCN(C(=O)Cc4nonc4C)CC3)no2)cn1 19215052 ZDIJPUFRZROBII-UHFFFAOYSA-N 368.397 2.080 0 40 FEAB O=C(C[C@@H]1CCCO1)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19404653 GOYNPIHQCVYSLM-YQMJFVBQSA-N 369.465 2.490 0 40 FEAB O=C1CCCN1C[C@H]1CCCN(C(=O)CCn2ccc3ccncc32)C1 19404750 LMHWYVMFVWLWRO-MRXNPFEDSA-N 354.454 2.287 0 40 FEAB CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)C)CC3 19498781 XTPQIXYVJLHWLE-MRXNPFEDSA-N 357.458 2.275 0 40 FEAB CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cn3ccccc3n2)C1 502496144 QXFKBAXEZOTSPT-YPMHNXCESA-N 354.332 2.006 0 40 FEAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccccc1)CC3 19550849 LSEITXOXBNTAQS-UHFFFAOYSA-N 365.433 2.472 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2cccs2)NC(=O)N3)cc1 12346828 XKFCIGDSHVURTR-MRXNPFEDSA-N 355.419 2.407 0 40 FEAB Cc1nc(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)no1 1888863808 WVOLRRNUWGCKPO-UHFFFAOYSA-N 356.474 2.276 0 40 FEAB COCc1nsc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889095558 YPKAWNSFWRTZEW-UHFFFAOYSA-N 354.867 2.233 0 40 FEAB CC(C)(C)c1ccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1 1889139199 NTBGICSXDKAPHF-UHFFFAOYSA-N 364.457 2.076 0 40 FEAB CNC(=O)CN1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912188 GKWQFZZNJCTRIX-SFHVURJKSA-N 354.878 2.299 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374093 QOAJTWXFYBNBAN-CQSZACIVSA-N 371.368 2.159 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 10064644 YXYLIRKGZXWRSK-CYBMUJFWSA-N 365.480 2.491 0 40 FEAB Cc1cncc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)c1 2055745616 OBQCGSYAFQCFAT-HNNXBMFYSA-N 368.437 2.338 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cn1 2055729808 OYNVTYWTRPBHJR-KRWDZBQOSA-N 350.422 2.064 0 40 FEAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2 2055772249 NBMNHYXEEAEXIO-UHFFFAOYSA-N 361.833 2.070 0 40 FEAB CN1c2ccccc2N(C2CCN(Cc3ccccn3)CC2)S1(=O)=O 575414195 NJMWMFKGVGEWPK-UHFFFAOYSA-N 358.467 2.247 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 85561034 KMENOUAZRDNEGL-AWEZNQCLSA-N 367.398 2.265 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)NC2Cc3ccccc3C2)C1 100816045 KBCCVLIJGWOPKB-YOEHRIQHSA-N 365.502 2.309 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c2c(C)nn(C)c2n1 40156248 BFNZPDUAGJALCH-CYBMUJFWSA-N 354.414 2.296 0 40 FEAB CC(C)N1C(=O)C[C@H](NC(=O)Nc2nnc(C3CCCCC3)s2)C1=O 101534080 ZJDAXZBSOXQJRC-NSHDSACASA-N 365.459 2.243 0 40 FEAB O=c1c(Cl)c(Cl)cnn1CN1CCN(Cc2ccccc2F)CC1 32506938 MDWQLZZPLRZXKS-UHFFFAOYSA-N 371.243 2.465 0 40 FEAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 41014437 KEMNXCXTWFRKEN-LBPRGKRZSA-N 356.378 2.456 0 40 FEAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)[C@H]1COCCO1 46309949 NHDNCVMNPVYOBV-LJQANCHMSA-N 367.401 2.409 0 40 FEAB CCCc1cc(C(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)[nH]n1 29833194 CSLOLNKBVODTQM-UHFFFAOYSA-N 359.382 2.253 0 40 FEAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NC1CCCC1 1328861 GQRLEQSJZNQVPL-XHDPSFHLSA-N 362.451 2.480 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2cc(Cl)ccc2Cl)C1=O 21559216 JQNMRWLVTSSDJG-ZBEGNZNMSA-N 373.236 2.454 0 40 FEAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)NCc1ccco1 2887986 NCQQNYNOQHQILW-UHFFFAOYSA-N 366.402 2.429 0 40 FEAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CSc2nncn2C2CC2)c1 103100173 BYSCJCACVZQQOA-LTGZKZEYSA-N 368.466 2.319 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 41782130 RWPKOXXLZXJXRV-ABAIWWIYSA-N 360.426 2.328 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 802840 IASQSWZHKKJKLO-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccc(C)c2)N2NC(c3cccs3)=NC2=N1 940770 UIOYSPBXLLYKOK-OAHLLOKOSA-N 351.435 2.494 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O 61721507 QTMMIKPZGDWPHG-LLVKDONJSA-N 372.450 2.167 0 40 FEAB CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(F)cc1F 3125273 PCLAPXVMQGYXMU-UHFFFAOYSA-N 362.379 2.464 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 24043127 WSDWBMSMFDGMIX-UHFFFAOYSA-N 361.467 2.131 0 40 FEAB O=C(Nc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1436658 ZFFXTMGRPCBVHP-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB Cn1nc(Br)c2c(N3CC[C@H](C(C)(C)C)[C@H](O)C3)ncnc21 108173403 MJMIZJKVGQJATD-VHSXEESVSA-N 368.279 2.359 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CCNC(=O)[C@H]1C[C@H]1C 58292171 ZNFFGXZKPKHKPR-OCCSQVGLSA-N 366.845 2.004 0 40 FEAB CN1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)Cc2ccccc21 68860705 MZURJAPQVKHQSK-UHFFFAOYSA-N 365.433 2.429 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)o3)nn12 3361480 YLNUILOQSHSOMU-UHFFFAOYSA-N 355.745 2.388 0 40 FEAB Cc1nc(C)c(CCC(=O)NCCc2ccc(OC(F)F)cc2)c(=O)[nH]1 12922656 WJEIZWPSRUJCGT-UHFFFAOYSA-N 365.380 2.280 0 40 FEAB CCCCn1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13551403 ZDGKUFBHKSEEEC-UHFFFAOYSA-N 369.400 2.293 0 40 FEAB Cn1cc(-c2nc(C(=O)N3CCCN(c4nccs4)CC3)cs2)cn1 64471758 GBPOXFMNQXLROJ-UHFFFAOYSA-N 374.495 2.353 0 40 FEAB O=C(CCNC(=O)c1ccco1)NCc1cccc(NC(=O)C2CC2)c1 9448343 UGZAGRQTTFBORH-UHFFFAOYSA-N 355.394 2.064 0 40 FEAB CC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 14125983 VTHVWKWEROIBTC-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB COc1cccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2N)c1 71768851 JDDDHVAUMOFRCL-UHFFFAOYSA-N 373.434 2.428 0 40 FEAB Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1C1CC1 6848973 OMDAHHMMQOXJMJ-UHFFFAOYSA-N 351.453 2.071 0 40 FEAB O=C(COc1ccc(-c2nnco2)cc1)NC[C@@H]1COc2ccccc2O1 7294307 DNAMDESEZISFJY-OAHLLOKOSA-N 367.361 2.072 0 40 FEAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(F)cc2)c1 96003479 KYHUZHBFGSTGNN-UHFFFAOYSA-N 361.192 2.088 0 40 FEAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 7308495 PLTOERZGXZHRSZ-OAHLLOKOSA-N 357.497 2.200 0 40 FEAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 7738103 DLDGRKPUTSHZLQ-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC(C)CC1 8262811 MCFOZHIHXGKUOO-OAHLLOKOSA-N 367.515 2.304 0 40 FEAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1 84068183 IZMVDHLGUANCPC-RHSMWYFYSA-N 359.426 2.387 0 40 FEAB CN(CC(=O)Nc1cccc(I)c1)c1cnn(C)c1 72308514 AULSHUMLRKHEMZ-UHFFFAOYSA-N 370.194 2.100 0 40 FEAB CC[C@@H](C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)N(C)C 84718713 GDNNTVSBBRRABV-SFHVURJKSA-N 363.477 2.329 0 40 FEAB CC1(C)OCC(C)(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CO1 95453137 TUWNVNNUCDEPIU-AWEZNQCLSA-N 358.442 2.225 0 40 FEAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)NCc3ccco3)CC2)c(F)c1 95401341 VODKGMJNFWOTPB-CQSZACIVSA-N 373.428 2.448 0 40 FEAB O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)N2CCSCC2)c1 95940685 BWQRIAMNHMUCAN-UHFFFAOYSA-N 356.252 2.429 0 40 FEAB CC1=CCN(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CC1 89575667 DXAPVEVMZVFFQL-INIZCTEOSA-N 350.484 2.299 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)ncn3C)c1 124074575 QLEVYZOUHHVVCA-UHFFFAOYSA-N 358.423 2.042 0 40 FEAB COc1cc(C[C@H](NC(C)=O)C(=O)O)ccc1OC(=O)c1ccccc1 3850383 HZRQRAWSGXDEDM-HNNXBMFYSA-N 357.362 2.046 0 40 FEAB biogenic COCCNS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)oc1C 72401012 MJSIAFRLIOLVBJ-UHFFFAOYSA-N 363.395 2.230 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(=O)O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218172681 OQHKJWXXPITCAS-GVDBMIGSSA-N 360.387 2.364 0 40 FEAB O=C(NCc1noc(-c2cccs2)n1)c1ccc(N2CCCC2)nn1 569144062 ATLUQSVFYZVLPF-UHFFFAOYSA-N 356.411 2.118 0 40 FEAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCCO)c1ccccc1 223471536 VFICAPAYSGJBOB-LJQANCHMSA-N 358.413 2.414 0 40 FEAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2C1 40647402 UTHXEDQDRCLMNU-UHFFFAOYSA-N 358.463 2.378 0 40 FEAB Fc1cnccc1CN1CCN(c2ncc(Br)cn2)CC1 1206788623 BXVNLOBMGSBQSB-UHFFFAOYSA-N 352.211 2.095 0 40 FEAB Cc1cccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccccn2)n1 96058024 KPGJNXKDNWPKPC-IPMKNSEASA-N 353.422 2.374 0 40 FEAB CS(=O)(=O)c1ccccc1CN1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O 333891941 HDRXJIJHNYDKSY-CFVMTHIKSA-N 362.451 2.185 0 40 FEAB Cc1ccc(OCC(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)cc1 248115358 ZZRPZZDNCFTEMS-QGZVFWFLSA-N 368.433 2.465 0 40 FEAB CCCN(CCN1CCCC1)C(=O)c1ccnc(N2CCO[C@@H](C)C2)c1 585082471 XRZXXBFVIYBTST-KRWDZBQOSA-N 360.502 2.255 0 40 FEAB CNc1cc(CC[C@H]2CN(C(=O)c3ccc(OC)nc3)CCO2)ccn1 257228034 FSAKOIYTXGJDMF-INIZCTEOSA-N 356.426 2.001 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1cccc2c1CCC2 1775957265 LGXBTJMDONFJNV-BBRMVZONSA-N 356.426 2.095 0 40 FEAB O=C(c1cn2c(n1)COCC2)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 625942297 AOEVWVKQEHGJEE-YUMQZZPRSA-N 357.254 2.226 0 40 FEAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc2ccccc2c1 96024359 MBIZEZDKHLSTDC-UHFFFAOYSA-N 370.434 2.267 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(C)s2)n1 5975226 USOTZWIPISWEJK-UHFFFAOYSA-N 368.436 2.414 0 40 FEAB Cn1c(=O)n(CC(=O)N2CCC[C@@H](c3ccccc3)C2)c2cccnc21 12117481 GFOVZZLLYUJDMG-MRXNPFEDSA-N 350.422 2.141 0 40 FEAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)NC1CCCCC1 12182409 WGVKUEOBLBBIEA-UHFFFAOYSA-N 365.437 2.371 0 40 FEAB COc1ccc([C@@H](NC(=O)c2ccncc2)c2nccn2C)cc1OC 12221708 QBLZXETYAFSFGP-QGZVFWFLSA-N 352.394 2.352 0 40 FEAB COc1ccccc1OCCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 13018654 WMUIHUVAPTZJTA-QGZVFWFLSA-N 356.422 2.458 0 40 FEAB CNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CCCO1 13658270 RZOCQTNGRGCACS-OAHLLOKOSA-N 361.467 2.022 0 40 FEAB Nc1ncnc2nc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ccc12 19704770 QLLRZNPQDJBSPJ-CYBMUJFWSA-N 351.385 2.305 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2cccc(C)c2)CC3)C1 19709458 ZMZNEUMJBABRBX-IBGZPJMESA-N 367.497 2.371 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3ccccc3N(C)C)ccc21 152551151 BXFQNPXNQNGSCR-UHFFFAOYSA-N 373.478 2.487 0 40 FEAB Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCC(c3ccnn3C)CC2)cn1 671507062 VTXIYMXLMNYKIA-AEFFLSMTSA-N 357.458 2.028 0 40 FEAB O=C(COc1ccccc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888869430 MKARNACBSWREFZ-IRXDYDNUSA-N 364.449 2.328 0 40 FEAB COc1cccc2sc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc12 1889191857 WDOOOTDSUBDPSG-UHFFFAOYSA-N 367.496 2.309 0 40 FEAB Cn1nc(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)ccc1=O 1889197014 UEQUCNGZBJKUBW-UHFFFAOYSA-N 365.437 2.125 0 40 FEAB Cc1ccc(C(=O)N2Cc3c(N4CCCC4)ncnc3-n3nccc3C2)o1 1565551853 WOPWOAANANSKDA-UHFFFAOYSA-N 364.409 2.320 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(C)n3)CC2=O)cc1OC 4272719 XDRGQBQCFCSYCU-ZDUSSCGKSA-N 370.409 2.334 0 40 FEAB Cc1c(C)n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2[nH]c1=O 4250464 FCKQDHGXBIIJHT-UHFFFAOYSA-N 363.830 2.419 0 40 FEAB COc1ccccc1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374089 VKWFKHSTZLTJAR-OAHLLOKOSA-N 357.385 2.439 0 40 FEAB CCOC(=O)Cn1/c(=N\C(=O)c2cc(C)no2)sc2cccc(F)c21 12422503 YIZODCNNVNVIHY-FBMGVBCBSA-N 363.370 2.443 0 40 FEAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 13849482 NEIFBRKMEKYSHS-UHFFFAOYSA-N 354.378 2.396 0 40 FEAB O=C1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1cccc(F)c1 2055795668 BGIQGQNVVGSXLP-INIZCTEOSA-N 360.429 2.203 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCC[C@@H](COc2ncccn2)C1 1775968449 NWMBMSQKBZISBJ-GFCCVEGCSA-N 355.423 2.413 0 40 FEAB O=S(=O)(CCOc1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390826836 CEIYBVJDLDUALL-KRWDZBQOSA-N 365.455 2.273 0 40 FEAB C[C@H]1CN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)C[C@H](C)O1 2775161 CFFSWULQGJGLPE-BQBZGAKWSA-N 370.169 2.451 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc3c(s2)CCCCC3)C1=O 40034665 QPDCLDYJFZCQIU-UHFFFAOYSA-N 364.471 2.461 0 40 FEAB O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)NC(=O)NCc1ccco1 40050217 LTFMCPPZRLEJPW-UHFFFAOYSA-N 374.368 2.410 0 40 FEAB C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccco2)C1 20573336 JWKWXKIWJHAGPW-CYBMUJFWSA-N 352.394 2.124 0 40 FEAB C[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102043467 VCQPJDVXBKOSTO-DGCLKSJQSA-N 361.467 2.300 0 40 FEAB O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 871861 NYZHZJHFRWFPHN-INIZCTEOSA-N 365.311 2.348 0 40 FEAB Cn1cc(Br)c(C(=O)NCc2ccc(-n3cccn3)cc2)n1 2744091 BCBZRIQKWSKGHQ-UHFFFAOYSA-N 360.215 2.298 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 32862307 TUDGERKXUHLCFY-QGZVFWFLSA-N 369.421 2.438 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102614669 ZEBFJNNBTIPDEX-ILRDRHFLSA-N 369.417 2.142 0 40 FEAB CCOC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4729146 WILIVLNMUBRNBN-AGCQVPOSSA-N 374.433 2.398 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(OC)ccc1OC)CC(=O)N2 4944329 RAZMOWXXZFIDFS-NSHDSACASA-N 361.423 2.373 0 40 FEAB O=C(C1CCN(Cn2c(=S)oc3ccccc32)CC1)N1CCOCC1 33034240 GRCMIWOMIADMIB-UHFFFAOYSA-N 361.467 2.492 0 40 FEAB COCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(OC)cc2)n1 8476332 LBCULJGBWCGPPG-UHFFFAOYSA-N 370.384 2.458 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc(NCCCc3ccccc3)nc2)CC1 8988273 GGMZLVSFHBWGTP-UHFFFAOYSA-N 374.510 2.062 0 40 FEAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)cc1OC 47148631 BUNBOUBFBPJDQW-CQSZACIVSA-N 371.441 2.087 0 40 FEAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 9262214 YJLKUTDADCMHQD-HOTGVXAUSA-N 351.362 2.463 0 40 FEAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)c(C)[nH]1 22765327 SXYPVPZFEZLVJU-UHFFFAOYSA-N 373.438 2.333 0 40 FEAB CCNC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 23267506 SNSDDGWTTXCCMC-KRWDZBQOSA-N 353.374 2.434 0 40 FEAB COc1ccccc1NC(=O)/C=c1/[nH]c(=O)/c(=C\c2ccc(C)s2)s1 105627134 PADKMYALKGTSBO-SHHJDNOCSA-N 372.471 2.063 0 40 FEAB CCc1nsc(N2CCCN(Cc3csc(COC)n3)CC2)n1 76184821 ACJCWTKJQLMCFG-UHFFFAOYSA-N 353.517 2.416 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28207230 LJCXYETWVMYZBH-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2nccs2)CC1 10269999 SINLPHBVMDQWPX-MRXNPFEDSA-N 372.494 2.246 0 40 FEAB COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1C 2100656 GVOQVVHVIGRDCP-INIZCTEOSA-N 361.394 2.186 0 40 FEAB biogenic CCOc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 20490363 MWYFYBSCIRNVCH-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 306139122 SPVYZWRVNLRQMX-QGZVFWFLSA-N 366.465 2.230 0 40 FEAB CCOC(=O)N1CCN(c2ncnc3c2[nH]c2cc(OC)ccc23)CC1 2435614 FYBSHWHSRMNKME-UHFFFAOYSA-N 355.398 2.398 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 48354795 RSQRKKOKTDOEFQ-ZDUSSCGKSA-N 351.447 2.135 0 40 FEAB CC(=O)N[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1)C1CCCC1 12838130 MUMVFQSABJJMGW-BMIGLBTASA-N 367.833 2.300 0 40 FEAB O=c1oc2ccccc2n1CCCN1CCC(CN2CCOCC2)CC1 69027941 JWRPDNROKKOVTD-UHFFFAOYSA-N 359.470 2.029 0 40 FEAB O=C(COc1cccc2c1CCC[C@H]2O)NCc1ccc2c(c1)OCO2 12911762 RBGPSFHIPAELMW-MRXNPFEDSA-N 355.390 2.480 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c1 13428019 GVAAGYAJPGPLEO-MRXNPFEDSA-N 361.419 2.177 0 40 FEAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cn1 49543660 RXHARLFCIOLMNX-ZDUSSCGKSA-N 358.785 2.204 0 40 FEAB biogenic Cc1ccc(N2N=C(C(=O)NCc3ccc(F)c(Cl)c3)NCC2=O)cc1 60355553 RGYNXMDVOSMYRV-UHFFFAOYSA-N 374.803 2.354 0 40 FEAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 6099986 IZVMQGARVPIZID-LBPRGKRZSA-N 366.845 2.450 0 40 FEAB CCOC(=O)C1=C(COC(=O)CCc2ccc(CC)cc2)NC(=O)N[C@@H]1C 8392667 SPKPRWOMVCRZIR-CYBMUJFWSA-N 374.437 2.243 0 40 FEAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(OC)nc2)CC1=O 6252275 KNUCXLHAJBTQTK-CYBMUJFWSA-N 355.394 2.481 0 40 FEAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 6361861 IODCRJJRQQRUCI-CYBMUJFWSA-N 352.456 2.147 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 14017000 ZBSUUMNKLIVUBN-INIZCTEOSA-N 374.462 2.338 0 40 FEAB Cc1nn(CC(=O)NCc2nc3ccccc3[nH]2)c(C)c1Br 4626186 BORZFZPCCUXMSE-UHFFFAOYSA-N 362.231 2.455 0 40 FEAB CN(C)S(=O)(=O)c1cccc(CSCC(=O)NC2CCCC2)c1 15497777 VBLNDVOKVOXYKX-UHFFFAOYSA-N 356.513 2.229 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15981565 BCEIBUPUOBKLNJ-KFWWJZLASA-N 373.453 2.105 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3ccc(F)cc3s2)C1=O 8877248 FHRGBIPZPMSVJE-MRXNPFEDSA-N 362.386 2.094 0 40 FEAB CCCCn1c(S(=O)(=O)Cc2nnc(C3CC3)n2C)nc(C)c1C 90989058 DHAAGHPHLCVXDP-UHFFFAOYSA-N 351.476 2.280 0 40 FEAB C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 25371206 CWHMDWUOIHOJQW-GFCCVEGCSA-N 371.455 2.410 0 40 FEAB O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@@]12C(=O)Nc1ccccc12 9341251 ONUGPBUIEFEFBM-GOSISDBHSA-N 369.402 2.397 0 40 FEAB O=C(Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12)c1cccs1 9348145 MBEMOWCQBYXJGY-UHFFFAOYSA-N 351.391 2.322 0 40 FEAB COc1ccc(C(=O)NCCn2cc(Br)cn2)c(OC)c1 28239777 LYQAVTQEHUPALW-UHFFFAOYSA-N 354.204 2.093 0 40 FEAB COC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CCCC2 19902534 LEPFOTNRUNHCDO-UHFFFAOYSA-N 352.456 2.074 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccccc2F)N1)OCCCO4 9835480 ZUXCJQURDFDGJN-MRXNPFEDSA-N 353.357 2.433 0 40 FEAB CCc1cc2c(N3CCC[C@@H](c4cc(C(N)=O)[nH]n4)C3)ncnc2s1 95410443 NZQOUOHKMOKRPZ-SNVBAGLBSA-N 356.455 2.460 0 40 FEAB CN(Cc1cccnc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999836 AWINSVZOPUSKIP-SFHVURJKSA-N 373.478 2.148 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306137396 QVGNWNQHLQSTCT-HOTGVXAUSA-N 363.421 2.428 0 40 FEAB N[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218665976 NRGBSPNZFPBLLU-YCPHGPKFSA-N 369.801 2.201 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)n1 71195633 MCUHTGVWZWKKKF-MRXNPFEDSA-N 350.426 2.274 0 40 FEAB COc1ccc(CNC(=O)CCc2nnc3ccc(OC(C)C)nn23)cc1 72403819 QTABUEXQUNPLTG-UHFFFAOYSA-N 369.425 2.169 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N(C)Cc1ccccc1)O2 38832923 KDOJHHHQMOPGMU-GOSISDBHSA-N 374.462 2.181 0 40 FEAB CCOC(=O)Cn1nc(NC(=O)COc2ccc(F)cc2F)cc1C 35316326 WCYGYAJHNJNXIJ-UHFFFAOYSA-N 353.325 2.050 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)N[C@@H]3CCOC3(C)C)CC2)cc1 562602031 MHLLVSZRZLSGPS-GOSISDBHSA-N 361.486 2.480 0 40 FEAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 47080958 XWZKPRMZXRALBA-HNNXBMFYSA-N 368.499 2.402 0 40 FEAB O=C(NCc1cnn(CC(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1 572065995 NQWPWDVPEOVYFA-UHFFFAOYSA-N 367.331 2.119 0 40 FEAB Cc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 223430105 VSBUVOSPNQCDJQ-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96078617 OXEHXQSRDUHUHG-OAHLLOKOSA-N 350.484 2.070 0 40 FEAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)c1ncccc1C(F)(F)F 1588128237 LGMRBXQBKHBKMT-JTQLQIEISA-N 370.352 2.401 0 40 FEAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2cc(C)oc2C)C3)n1 248015199 KGWTYOCBGAOPGG-HNNXBMFYSA-N 357.410 2.447 0 40 FEAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 248118131 MFGREFXBVQGPRC-YLJYHZDGSA-N 357.454 2.120 0 40 FEAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 257318619 VOSISJZCMRMTLH-OAHLLOKOSA-N 361.423 2.247 0 40 FEAB N[C@@H]1CC[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257253578 JZLCYAAZIPSUJM-CGXNFDGLSA-N 356.441 2.482 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 617586467 HAFQKEIXAZLGDM-MAUKXSAKSA-N 357.458 2.262 0 40 FEAB Cc1cnc(OC2CCN(C(=O)[C@H](N)c3ccc(F)cc3F)CC2)nc1 662830979 KOZNBRNSDQFNJX-MRXNPFEDSA-N 362.380 2.133 0 40 FEAB O=C(Nc1ccc(Cl)cn1)N1CCN(C(=O)N2CCCCC2)CC1 674677542 LGAVGZLWGMJZQS-UHFFFAOYSA-N 351.838 2.490 0 40 FEAB C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccccc1 608546911 QXFLLXVOFOZMIM-BZNIZROVSA-N 355.369 2.083 0 40 FEAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2Cl)c2cccc(O)c2)C1 575420714 JJZOASRDNAJKDI-DLBZAZTESA-N 367.854 2.210 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585278905 WSTDLWZKCABKEJ-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB Cc1cccc(C2(NC(=O)c3coc(CN4CC[C@@H](O)C4)n3)CCC2)c1 685941322 AFIZYTCMFXAICS-MRXNPFEDSA-N 355.438 2.359 0 40 FEAB CNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 13658267 RZOCQTNGRGCACS-HNNXBMFYSA-N 361.467 2.022 0 40 FEAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C 15011581 OHOGQRXQSGUAEO-UHFFFAOYSA-N 370.377 2.476 0 40 FEAB COc1cccc(CN2CC[C@H](c3nn(CCN)c4ncccc34)C2)c1 19564748 VOTQSAGCNXATDQ-INIZCTEOSA-N 351.454 2.388 0 40 FEAB COc1ccc(CCC(=O)N(C)Cc2cc([C@H]3CCCNC3)nn2C)cc1 19709151 UOXURWPQOWVSQL-KRWDZBQOSA-N 370.497 2.487 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4cccc(F)c4)CO3)C2)cn1 643586029 PTYFEYRPCIMPAW-ILZDJORESA-N 356.397 2.289 0 40 FEAB Cc1cc(C)nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1888860008 MQLQBKPHSUNCIB-UHFFFAOYSA-N 365.359 2.470 0 40 FEAB CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224661 OTUSUPNHAADGMH-LAUBAEHRSA-N 361.530 2.360 0 40 FEAB COc1ccc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)c(C)c1 1614938566 VJVLJCXLISXDQB-HXUWFJFHSA-N 368.437 2.006 0 40 FEAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCO2 4135769 XJLLNFXMDUGCMG-LBPRGKRZSA-N 373.390 2.166 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 8961773 YAYYIIYLQSGQMF-UHFFFAOYSA-N 352.799 2.263 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 13789960 HYAWZXUTZVTSGJ-JTQLQIEISA-N 371.509 2.482 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@H](NCc1ccncc1)CC2 2055739093 KRLMCBVXKMPJSF-CQSZACIVSA-N 352.394 2.240 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ccncc2Cl)C1 585605557 CVKPBDOIDDWNHS-UHFFFAOYSA-N 353.813 2.490 0 40 FEAB CC(C)Sc1ccc(CC(=O)NC[C@@H](O)Cn2ccccc2=O)cc1 206888885 UGZVPHOGIJWIOI-MRXNPFEDSA-N 360.479 2.069 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(C(C)=O)CC3)s2)cc1 40012777 YTFLGOLQRRIICC-UHFFFAOYSA-N 359.451 2.431 0 40 FEAB COc1cc(C)c(NC(=O)NCC(C)(C)N2CCOCC2)cc1OC 40103463 ZDJZCGWIAGXUOV-UHFFFAOYSA-N 351.447 2.245 0 40 FEAB CCN(C(C)=O)c1nc(CN2CCC(CN3CCOCC3)CC2)cs1 51959000 IIPPKMYJWUILNS-UHFFFAOYSA-N 366.531 2.060 0 40 FEAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)OC(C)C 29692879 MAMLGVTVYOPEKY-OAHLLOKOSA-N 365.426 2.118 0 40 FEAB COc1ccccc1-n1cnnc1SCn1nnc2ccccc2c1=O 2641030 FCNIHALGHFBXPG-UHFFFAOYSA-N 366.406 2.131 0 40 FEAB COc1cc2cc(CN(C[C@H]3CCCO3)C(C)=O)c(=O)[nH]c2cc1OC 1377534 POCCNRWJJCXUHD-OAHLLOKOSA-N 360.410 2.073 0 40 FEAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)NCc1ccccc1F 21562462 JAPVDDPVKNITQQ-CYBMUJFWSA-N 360.385 2.092 0 40 FEAB CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)C(=O)OCc1ccccc1 6375282 BHYPYZSIYBMNIK-QGZVFWFLSA-N 370.405 2.067 0 40 FEAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 6728961 JHABNTZUPGFWHV-UHFFFAOYSA-N 360.435 2.083 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)NC12CC3CC(CC(C3)C1)C2 46760103 PKGIKXODCRIFHQ-UHFFFAOYSA-N 360.483 2.300 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)s1 21905466 RCEFRRAUJJYURC-UONOGXRCSA-N 370.540 2.492 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc(Br)cc1 22010601 SNYDCCWFQZWSGP-JTQLQIEISA-N 354.248 2.258 0 40 FEAB C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1 10968347 QDPKPTYRFDWLSJ-ZDUSSCGKSA-N 370.434 2.162 0 40 FEAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCCCC2)c1 53565585 YWJDAENJBIKZDL-UHFFFAOYSA-N 368.499 2.326 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)CN(C)[C@H](C)c2ccccc2)c2ccccc2O1 103929857 BMFAZEDIKAQUFV-BEFAXECRSA-N 367.449 2.220 0 40 FEAB COc1cccc(NC(=O)CN2CCN(CCc3ccccc3)CC2)c1 23249072 KRVRSRKVVMOWEJ-UHFFFAOYSA-N 353.466 2.494 0 40 FEAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccn4)ccc1c23 956873 PCIYZEXJQFOGJR-UHFFFAOYSA-N 354.391 2.411 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 106213339 HYHFZHBMZVGEHY-CWSCBRNRSA-N 366.723 2.124 0 40 FEAB O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 47695518 MYCXTKUEUXROTD-UHFFFAOYSA-N 368.389 2.415 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c(C)c1 78560140 MGBLORUFTGHFJF-SFHVURJKSA-N 365.543 2.094 0 40 FEAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(Br)ccc1F 78682047 FSKPMBHGBXARLL-MRVPVSSYSA-N 352.225 2.141 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 100604550 ABCMHGZYYZULNK-CFAJVAMVSA-N 366.483 2.155 0 40 FEAB CCn1c(CNC(=O)CNC(=O)c2ccccc2F)nc2ccccc21 12548211 JHPOGNCUNHSXTK-UHFFFAOYSA-N 354.385 2.242 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H](NCC(=O)N(C)C)c1ccccc1 57335779 DHXJKSRMOIHYFU-IBGZPJMESA-N 355.438 2.443 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)O)cc2)cc1 3243187 SADVAMHHRRGUNT-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB Cc1ncccc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 108420807 RBFVDFJEMGLWOU-HXUWFJFHSA-N 352.482 2.377 0 40 FEAB O=C(CN1CCC(C(=O)NCc2ccco2)CC1)NC1CCCCCC1 58178536 SNXHGTBRSYQTCU-UHFFFAOYSA-N 361.486 2.447 0 40 FEAB Cc1ccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)cc1 36614951 QEJISDVAAZBYGM-UHFFFAOYSA-N 370.425 2.093 0 40 FEAB Cc1nc(C(=O)Nc2n[nH]c(-c3ccco3)n2)nn1-c1ccc(F)cc1 12753967 RWIRXUSFHSMBKY-UHFFFAOYSA-N 353.317 2.345 0 40 FEAB COc1cc(NC(=O)CNC(=O)c2ccccc2)ccc1N1CCCC1=O 11419081 KCSWVALBUHRVCO-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3461906 YOHFOZRTCQAIFU-FQEVSTJZSA-N 369.396 2.299 0 40 FEAB CNC(=O)C1CCC(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 63260572 NVPVGWDNUNNMCB-UHFFFAOYSA-N 367.490 2.055 0 40 FEAB COc1ccc(NC(=O)c2nnn3c2[nH]c(=O)c2ccccc23)cc1Cl 20731252 BQPCMZRXYXPMGS-UHFFFAOYSA-N 369.768 2.485 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)c1 13692939 OKQXUCICHUQVRI-UHFFFAOYSA-N 359.451 2.465 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(C)cs1)n2C 5109557 LFYGQWKXMABSKR-UHFFFAOYSA-N 365.484 2.281 0 40 FEAB Cc1cc(C)cc(-n2nnnc2S[C@H](C)C(=O)NC[C@H]2CCCO2)c1 14184185 MYKNGAQOOMHTRS-UKRRQHHQSA-N 361.471 2.055 0 40 FEAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1 14200460 QLFHAPVDOYDDGR-UHFFFAOYSA-N 358.829 2.132 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(F)cc2)C1=O 5449416 MZXDOODBKYYEGG-LLVKDONJSA-N 364.373 2.051 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2c(CC)cccc2CC)C1=O 5568916 NUBRGJSEVJAPPW-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 4927429 FLLJXIJTNZEJLO-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 7769922 VITXZWKWSNKPET-OAHLLOKOSA-N 351.406 2.340 0 40 FEAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 7982323 RPOWOUAGFTZBOP-GFCCVEGCSA-N 352.843 2.496 0 40 FEAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 8271780 OUCOZZAWBNVQGP-OAQYLSRUSA-N 369.465 2.345 0 40 FEAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)[nH]c1 8231424 QIZPTFROMIYSPS-UHFFFAOYSA-N 356.407 2.074 0 40 FEAB O=C(c1ccccn1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999103 OKMJWULKBNADRA-INIZCTEOSA-N 371.462 2.079 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(CC3CC3)C[C@@H]1C2 306124719 BXRYBRDQIMXSTM-KBPBESRZSA-N 355.417 2.184 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408561328 HUOQKEAHGCTHAM-UHFFFAOYSA-N 368.499 2.465 0 40 FEAB O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@H]2COCC[C@H]2C1 1553251015 ZTHRFCBSBPKCPC-HOTGVXAUSA-N 353.422 2.189 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395607 RPUJNRRFWIVLKF-FOUMNBMASA-N 357.380 2.460 0 40 FEAB CCCCS(=O)(=O)NCC(=O)NCCn1ccc2cc(Cl)ccc21 560996409 MEGOYYYHAMQGEM-UHFFFAOYSA-N 371.890 2.130 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(OC)c2)cc1 224583724 RXPPILBSHFAGRY-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1C 329105797 DDHGBVVJVUCVCI-GFCCVEGCSA-N 354.332 2.436 0 40 FEAB Cc1ccc(CN(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 224324937 JJPVXKGFGAWWCI-UHFFFAOYSA-N 358.463 2.346 0 40 FEAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 80337207 BNEKRFAESMRGBI-PXAZEXFGSA-N 361.833 2.083 0 40 FEAB COc1cccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224146775 HELPHZVCBRPKJU-UHFFFAOYSA-N 372.429 2.032 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@H]1C(=O)O 573110568 RKNICZKEQRNYMH-SWLSCSKDSA-N 361.423 2.017 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1 96216107 YENDUARMUHNHTP-LJQANCHMSA-N 362.474 2.032 0 40 FEAB O=C(c1cccnc1)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244080 XEMIUPUIZGRJTN-HXUWFJFHSA-N 365.437 2.008 0 40 FEAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1oc(C)cc(=O)c1O 96113892 OTSBGYIPCDCYHB-NSHDSACASA-N 362.334 2.086 0 40 FEAB biogenic O=C(Cc1ccco1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 247843058 GBIUORLQDADXOA-CQSZACIVSA-N 360.385 2.443 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1OC 257290474 QDCGQXWANQUXIK-APWZRJJASA-N 361.486 2.015 0 40 FEAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)N(C)C)c1 257275208 NOIUSBQDVLPIKY-WFXMLNOXSA-N 373.497 2.348 0 40 FEAB O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc2nc[nH]c2c1 372223337 HAJPBMNNFQHWDQ-JTQLQIEISA-N 364.331 2.209 0 40 FEAB O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cccc2nccnc12 617703102 AVVNOZJYSHLZFM-QGZVFWFLSA-N 362.433 2.126 0 40 FEAB Cc1cc2ncc(C(=O)N3CCc4c(cccc4C(=O)O)C3)c(C)n2n1 621579114 VLRGYZBXOLVJBY-UHFFFAOYSA-N 350.378 2.243 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1280311057 QQKSQGCZUHQUQG-QGZVFWFLSA-N 370.430 2.211 0 40 FEAB COc1cccc2cc(C(=O)NCc3nc(-c4cnn(C)c4)no3)oc12 390828896 CCQIZMFJKWQCEY-UHFFFAOYSA-N 353.338 2.155 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC3(F)F)cc1 650599948 KPIFPWFXCLYSPF-UHFFFAOYSA-N 358.410 2.198 0 40 FEAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCCCCC1 585286005 GNCXHJBDVAIHQF-FQEVSTJZSA-N 367.461 2.353 0 40 FEAB C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1=CCCC1 585097736 NOEDPDNOVJERBK-AWEZNQCLSA-N 353.426 2.136 0 40 FEAB CCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(C(C)=O)cc2)s1 51896749 CQDJDCGKZHVQOO-UHFFFAOYSA-N 352.437 2.335 0 40 FEAB Cc1c(C(=O)Nc2ccn(C)n2)nnn1-c1cccc(Br)c1 55049069 SZTSFYSCHSBIIO-UHFFFAOYSA-N 361.203 2.324 0 40 FEAB O=C(CCNc1ncccn1)NCc1cccc(C(=O)N2CCCCC2)c1 52992505 ZSLMJNUZCNHPAN-UHFFFAOYSA-N 367.453 2.221 0 40 FEAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](C)SC)CC2)cc1 58263898 GWAYDAVDLFLQBX-ZDUSSCGKSA-N 370.540 2.317 0 40 FEAB O=C(CN1CCC(c2n[nH]c(C3CC3)n2)CC1)NC(=O)Nc1ccccc1 58224999 UAZZYRITIXIZQU-UHFFFAOYSA-N 368.441 2.210 0 40 FEAB CC[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O 661463074 QGJZYKFNFFZJFF-JKSUJKDBSA-N 356.463 2.365 0 40 FEAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1ccc(F)cc1 1549159240 QEFOJUXVYIQCOA-XUVXKRRUSA-N 368.412 2.002 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCc3ccccc3)n2)c(C)o1 12146816 ZFVPZAFMAFELAJ-UHFFFAOYSA-N 352.394 2.019 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3cnn(C)c3C)cc2n1 12337804 JSPHWLDJRUIABE-OAHLLOKOSA-N 354.414 2.153 0 40 FEAB CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 12529820 RVMPDFVKUCGYDN-HOTGVXAUSA-N 367.384 2.446 0 40 FEAB biogenic,in-vitro CCc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 16161621 UIXRZRWBKOWXAA-ZMSDIMECSA-N 350.484 2.320 0 40 FEAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cn(CC)c2ccccc12 19500321 NEOJTIAWNGULRA-GOSISDBHSA-N 356.514 2.346 0 40 FEAB COc1cc(C(=O)N(CCO)[C@@H]2CCCc3ccccc32)nc(OC)n1 19550311 IRTKFYZTGUTHEZ-MRXNPFEDSA-N 357.410 2.006 0 40 FEAB O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cccn2nnnc12 19654947 MEHFSQAAGJPYFK-QGZVFWFLSA-N 350.426 2.081 0 40 FEAB COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cn(C)nc3C)C2)c1 19658838 ZTHDJCUYLISPIP-MRXNPFEDSA-N 372.469 2.467 0 40 FEAB Cc1cc(C)n(CC(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)n1 19746073 YTPWELMCPXJIQZ-UHFFFAOYSA-N 370.388 2.113 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)SC1=S 8276423 LGMBQSQTIZSQBF-GHXNOFRVSA-N 367.448 2.386 0 40 FEAB Cn1nnc2c(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccnc21 509133243 WVCWPGUGJMMFRH-UHFFFAOYSA-N 351.288 2.192 0 40 FEAB CC(C)(C)NC(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888860448 HMHSGVNZDKZIPR-LBPRGKRZSA-N 358.446 2.211 0 40 FEAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888878951 LWJNVRFGVBMZLH-LIRRHRJNSA-N 374.416 2.471 0 40 FEAB CC(C)c1nccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086928088 WLIKIERMFZMRTH-ZDUSSCGKSA-N 354.401 2.063 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 1565542695 VWDIDHQEGFHPEX-HXUWFJFHSA-N 361.461 2.309 0 40 FEAB O=C(c1ncc(Cl)cn1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553856 LRPHHIRUDNORJS-UHFFFAOYSA-N 366.812 2.223 0 40 FEAB CC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)nc1C 4496411 DKYBGFVQBRZCEH-UHFFFAOYSA-N 356.400 2.206 0 40 FEAB C[C@@H]1CN(C(=O)N2CCCC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055729720 BYXMAGBBFGMJCU-OXFYSEKESA-N 372.469 2.496 0 40 FEAB CN(C)C(=O)CO[C@H]1COC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055837472 HWSIWVRFIPYIAR-BRWVUGGUSA-N 366.502 2.068 0 40 FEAB CC(C)(C)NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767918 HAONZEGIKPLBRU-UHFFFAOYSA-N 365.437 2.374 0 40 FEAB CSc1nc(C)cc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298061980 IBEADODJWBVKRP-UHFFFAOYSA-N 367.482 2.414 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1cccs1 75155943 ARUUTFJLEFNCGJ-MRXNPFEDSA-N 350.465 2.432 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1 35876485 NTUKPSYPNBWTMB-MOPGFXCFSA-N 355.482 2.141 0 40 FEAB COCc1cccc(CNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c1 40114034 ZEFRFWWHRXNXRN-UHFFFAOYSA-N 366.417 2.444 0 40 FEAB COC(=O)c1ccc(CCNC(=O)Cc2ccc(OC)cc2OC)cc1 29578137 USOCAWGPQNKOLR-UHFFFAOYSA-N 357.406 2.392 0 40 FEAB CCCc1n[nH]c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 11808155 CVLVIIGVHYJJBU-LLVKDONJSA-N 362.455 2.498 0 40 FEAB O=c1[nH]nc(SCCCOc2ccc(F)cc2)n1C[C@@H]1CCCO1 60384696 AORKPUZKYLBDRK-AWEZNQCLSA-N 353.419 2.451 0 40 FEAB CN(C)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 892155 MVVAWTFLZQPEFY-UHFFFAOYSA-N 355.261 2.425 0 40 FEAB COc1ccccc1N1C(=O)C[C@@H](Nc2cc(C(=O)O)ccc2C)C1=O 2662415 KTFHFFGAXPBKIY-CQSZACIVSA-N 354.362 2.446 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 32760598 HDWNKSNMVBWMBV-GFCCVEGCSA-N 360.487 2.438 0 40 FEAB Cc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 1752419 HAMAZNZLPAHSDL-UHFFFAOYSA-N 353.465 2.056 0 40 FEAB CN(CCCNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 76041355 QIGQFGRFDTVNHC-UHFFFAOYSA-N 364.243 2.394 0 40 FEAB COCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(C(C)C)cc12 4861455 NOSUGTUTSNKNIM-UHFFFAOYSA-N 359.455 2.484 0 40 FEAB CC(C)OCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 6344607 SHOYRZAAUUKDRL-UHFFFAOYSA-N 362.879 2.037 0 40 FEAB NC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 53893596 HIPXKVDAWOGWSZ-HNNXBMFYSA-N 351.406 2.136 0 40 FEAB COc1cc(CN2C(=S)NC(C)(C)C[C@]2(C)O)cc(OC)c1OC 12409208 IMKFTJZPFBXERP-KRWDZBQOSA-N 354.472 2.280 0 40 FEAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc2c(c1)OCO2 54253725 HUQKXDBLMQXDGZ-INIZCTEOSA-N 368.389 2.172 0 40 FEAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cnc3ccccc3n1)C2 100150224 RAEJCDMNWGVABG-HOTGVXAUSA-N 363.465 2.483 0 40 FEAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1 56835747 PHZUYHTXVURVPH-NSHDSACASA-N 373.375 2.380 0 40 FEAB C/C=C/C=C/C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12540263 BGBZHYWZWCEAON-MQQKCMAXSA-N 357.454 2.431 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C 24840153 HVOATDUZYAATEM-UHFFFAOYSA-N 359.407 2.249 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O 51951714 ZOHDMZDTYNCUBC-LSDHHAIUSA-N 350.415 2.283 0 40 FEAB CC(C)(C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428902 UNJGMTBOHIONOS-UHFFFAOYSA-N 357.435 2.129 0 40 FEAB O=C(NC1CCC(O)CC1)c1occc1CS(=O)(=O)c1ccccc1 78268525 QFIUCKIHFYFPDJ-UHFFFAOYSA-N 363.435 2.287 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCc2ccccc2C1 22251626 TWKOEVGPJDNJOT-UHFFFAOYSA-N 374.462 2.290 0 40 FEAB O=C(NC1=NCCS1)c1cccc(NS(=O)(=O)c2ccccc2)c1 57984738 OQZYFYXEKLUBAD-UHFFFAOYSA-N 361.448 2.320 0 40 FEAB C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)n1cccn1 44668442 QEEPGQULZPUQTN-UESPBHMZSA-N 370.434 2.297 0 40 FEAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 27326450 TWSOJYIYVHGWTL-AWEZNQCLSA-N 362.451 2.207 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(Cc2ccccc2)CC1 22287110 YSDDLBYGQNAMEF-UHFFFAOYSA-N 365.433 2.329 0 40 FEAB CN1CCN([C@H](CNC(=O)c2ccccc2Cl)c2cccn2C)CC1 21152985 DDMZUAXUFOIDMH-GOSISDBHSA-N 360.889 2.397 0 40 FEAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCCN1CCOCC1 28246372 GRSOZYJOAXLYRA-UHFFFAOYSA-N 359.495 2.494 0 40 FEAB CCOC(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 10890679 RRRIJXAVWSCUQG-CYBMUJFWSA-N 350.415 2.200 0 40 FEAB CCNC(=O)CN(CC)CCS(=O)(=O)c1cc(Cl)ccc1Cl 11288854 SXMUUAHHYPLJEH-UHFFFAOYSA-N 367.298 2.225 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccccc1F 12859136 ZWGLRNIQALZUCL-HXUWFJFHSA-N 367.380 2.051 0 40 FEAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 3460030 DPGMZLKYAYJMGB-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB CCCCNC(=O)CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1 13453993 BKZLFMSHWQGEIX-UHFFFAOYSA-N 365.430 2.214 0 40 FEAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13679759 OFQISHUPRNHKPS-HNNXBMFYSA-N 366.826 2.042 0 40 FEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 65565441 KYJQQZVZCYNIHJ-ZIAVJRNFSA-N 350.802 2.194 0 40 FEAB CN1CCc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2C1 14169289 AXSOIZOVZWMLCI-UHFFFAOYSA-N 360.464 2.428 0 40 FEAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 4555258 GXMHQASTEZZKIJ-HNNXBMFYSA-N 353.374 2.474 0 40 FEAB CCc1c(COC)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O 22448437 YXHIULFBAQHROD-UHFFFAOYSA-N 362.861 2.459 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)o1 7007090 HVOQNERWNDOXAN-KRWDZBQOSA-N 364.304 2.312 0 40 FEAB COC[C@@H](O)CNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 8879974 FSUZIIUNPPIZDS-ZDUSSCGKSA-N 373.405 2.212 0 40 FEAB biogenic C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 7677771 DIABZEBFXPGZFZ-GFCCVEGCSA-N 367.434 2.486 0 40 FEAB COc1cc(C(=O)OCC(=O)NCc2ccccc2C)cc(OC)c1OC 8068802 CNYLRGGOAPVYQK-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB CC(C)N1[C@@H]2CN(Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O 306134917 OBPMUUIFUQFPIK-IAGOWNOFSA-N 373.478 2.126 0 40 FEAB CCOc1ccccc1N1CCN(C(=O)c2ncccc2C(=O)OC)CC1 95444714 MINIISNEYHTOOE-UHFFFAOYSA-N 369.421 2.229 0 40 FEAB CCOC(=O)c1nnn(CC(=O)c2ccc(Cl)cc2)c1C(=O)OCC 73166962 JYUWHBFXIZNBEP-UHFFFAOYSA-N 365.773 2.168 0 40 FEAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccncc1)C2 306142745 XIGYDTVXSPXFTQ-OAHLLOKOSA-N 370.428 2.231 0 40 FEAB CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1 21981361 AGQGGZNSVNKGDU-HNNXBMFYSA-N 373.434 2.197 0 40 FEAB world CC(C)n1cnc([C@H]2CN(C)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306132131 KZRDHHRWLCAOLQ-XLIONFOSSA-N 353.470 2.307 0 40 FEAB CSCC[C@@H](C(=O)Nc1cccnc1)n1c(O)nc2ccccc2c1=O 524733434 RFJTWFQGQYLAFQ-HNNXBMFYSA-N 370.434 2.430 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3ccsc23)CC1 30582747 GGOJWPQHCSNPBJ-UHFFFAOYSA-N 360.464 2.202 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218001000 FMUNLIWMPFARMS-DOMZBBRYSA-N 360.863 2.108 0 40 FEAB C[C@@H](C(=O)NCCOc1ccc(F)cc1)n1nc(-c2ccco2)ccc1=O 70655587 HAIXCEDTAXQGEL-ZDUSSCGKSA-N 371.368 2.399 0 40 FEAB Cn1ccnc1[C@H](NC(=O)CCN1CCSC1=O)c1ccccc1F 40013280 BUVQSVUAKALGIE-OAHLLOKOSA-N 362.430 2.324 0 40 FEAB COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(C)c1 224312008 ZWGSFONUUOJACW-UHFFFAOYSA-N 370.457 2.214 0 40 FEAB O=C(COc1ccccc1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386087 NGMTUKNSAJCABH-QGZVFWFLSA-N 350.374 2.243 0 40 FEAB CC(C)NC[C@H](O)COc1ccc(COCOCCOC(C)C)cc1 44699424 NGCBVUSSEGADND-SFHVURJKSA-N 355.475 2.340 0 40 FEAB in-vitro Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)on1 333176554 LOOOASKZPGGKAJ-RYUDHWBXSA-N 374.363 2.383 0 40 FEAB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)nc2ccc(Cl)cn2c1=O 96113950 FEDNGBZYCBWSEZ-ZDUSSCGKSA-N 374.780 2.454 0 40 FEAB biogenic Cc1ccc(CN2CC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225794 FUYDIBUFWGLGJU-NRFANRHFSA-N 364.449 2.427 0 40 FEAB Cc1occc1C(=O)N1CCO[C@]2(CCCN(Cc3ccccn3)C2)C1 96074951 JSFKSFBRUFRJTR-FQEVSTJZSA-N 355.438 2.490 0 40 FEAB Cc1ccc(N2CCOC[C@@]3(CCCN(Cc4cccnc4)C3)C2)nn1 96229181 KGTZSPJIKCRRGN-HXUWFJFHSA-N 353.470 2.299 0 40 FEAB Cc1cc(CN2Cc3cncn3C[C@H](COc3ncccc3F)C2)no1 96209357 JHZUILGPCIAVIE-CQSZACIVSA-N 357.389 2.425 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(c4ncc(C)cn4)C3)C2=O)c1 96159800 NBWSJDBBCHGKQH-HXUWFJFHSA-N 352.438 2.423 0 40 FEAB C[C@@H]1N(Cc2cccnc2)C(=O)COC12CCN(Cc1ccoc1)CC2 96062263 HFCNZWBUCHVDGM-INIZCTEOSA-N 355.438 2.457 0 40 FEAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccs3)C2)c(=O)c1 583618077 AOWQGSQORBMKGU-OAHLLOKOSA-N 362.499 2.225 0 40 FEAB Cc1cc(CN2CC3(C[C@H](OCc4cnccc4C)CCO3)C2)n(C)n1 248004923 BQSHWWNBKQMSAK-LJQANCHMSA-N 356.470 2.382 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3Cc3cccnc3)ccnc12 257281552 OPTUYDPDZUXCRQ-INIZCTEOSA-N 350.426 2.163 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257276373 NTKGMEIHMWGBHV-SFHVURJKSA-N 359.470 2.467 0 40 FEAB Cc1ncc(-c2nccnc2CC2CCN(S(C)(=O)=O)CC2)s1 257242190 IBLUWMJAXSKMIY-UHFFFAOYSA-N 352.485 2.123 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)c1C 252496081 PEWIDHHEGOOEHA-LLVKDONJSA-N 364.427 2.040 0 40 FEAB COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 263223153 RBHRAMMQBHJSAF-VIFPVBQESA-N 367.345 2.199 0 40 FEAB O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCO[C@H](CCc2ccccc2)C1 363780578 QDAKXIBJEHVHSX-ZWKOTPCHSA-N 354.454 2.310 0 40 FEAB CCc1ccc(NC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)cc1F 626457101 DTWSJEXZXCRWCE-LBPRGKRZSA-N 357.451 2.181 0 40 FEAB C[C@@H](c1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1)N1CCOCC1 649465077 MHCUEXFQCFDRCO-ZDUSSCGKSA-N 355.394 2.425 0 40 FEAB C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1sccc1Br 650232878 QMEXOSQQSFLRPS-HTRCEHHLSA-N 354.247 2.137 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)NCC(c2ccccc2)c2ccccc2)CCO1 666513130 FNBGRHAUHRGYAT-SFHVURJKSA-N 354.406 2.314 0 40 FEAB Cn1cnc2c1CCN(C(=O)CN[C@@H](c1ccccc1)C(F)(F)F)C2 673654090 GJOUEGRCGIRNIR-INIZCTEOSA-N 352.360 2.198 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(S(=O)(=O)C(C)C)C3)cs1 575403814 KOHOYQXPKIMTQR-ZDUSSCGKSA-N 362.542 2.266 0 40 FEAB CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2nonc2C)C1 585275876 GBSWRYMTESUZNV-LJQANCHMSA-N 359.426 2.316 0 40 FEAB CCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 585105496 XZIRVKSTDGMSKD-MRXNPFEDSA-N 368.499 2.461 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H]2CO)C3)cc1 585103800 KDLXZELXFNEDKT-VQTJNVASSA-N 372.509 2.463 0 40 FEAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)[C@H](C)n3ccnc3)CC2)c1 52899846 DRRLXINHDYGMJG-OALUTQOASA-N 369.513 2.470 0 40 FEAB O=C(CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)NC1CCCCC1 58156914 KDXYWIOYNLOGQD-IBGZPJMESA-N 373.478 2.181 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161144 VUXJROGXGURUNN-IBGZPJMESA-N 355.394 2.021 0 40 FEAB Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 12086285 ZUDUTHMORXJNFY-LSDHHAIUSA-N 360.417 2.329 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@H](C2)[C@H]1COc1ccc(F)cc1 12408091 FBNRYCJPHOMJAM-UKPHBRMFSA-N 354.447 2.398 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc1S(N)(=O)=O 12678644 LWBKKOWCHPTQMA-NSHDSACASA-N 365.382 2.210 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 14264834 MUKWVMAIRLHEEM-LQZXRHCMSA-N 373.453 2.373 0 40 FEAB Cc1cccc2c(C[C@@H](C)NC(=O)C[C@@H]3C(=O)NCCN3C(C)C)c[nH]c12 19236602 LXIAALIOWPPTQQ-CRAIPNDOSA-N 370.497 2.122 0 40 FEAB Cc1c(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cnn1C 19553983 QSOHPUIRSKWXKZ-KRWDZBQOSA-N 365.455 2.175 0 40 FEAB CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889116442 HOVXVHLGZXIQOI-UHFFFAOYSA-N 370.354 2.422 0 40 FEAB c1cncc(-c2ccnc(N3CCN(c4ncnc5ncccc45)CC3)n2)c1 2087048825 IANLRJZJSDORBU-UHFFFAOYSA-N 370.420 2.203 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373948 HADZEPDPQVWEOE-CYBMUJFWSA-N 357.341 2.481 0 40 FEAB C[C@@H](NC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1 9708600 MADIGQFPBKPUIB-CYBMUJFWSA-N 363.417 2.338 0 40 FEAB Cc1ccc(CNC(=O)c2nnc3n(c2=O)CCN3c2ccccc2)cc1 12233568 XEMQHHJXEKMXTA-UHFFFAOYSA-N 361.405 2.028 0 40 FEAB O=C(NCC[C@@H](CCO)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 206629152 JWCWFYGAJZSHHG-HNNXBMFYSA-N 370.405 2.026 0 40 FEAB COc1cc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1C 10447242 XHPNZRVOVAFFMA-UHFFFAOYSA-N 359.426 2.078 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2cccnc2)on1 40143751 HOJBYZNQTCLTRF-UHFFFAOYSA-N 361.361 2.245 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 32795878 PYXXLYOADZOXGV-VXGBXAGGSA-N 367.243 2.049 0 40 FEAB O=C1CN(Cc2cccc(Cl)c2)CC(=O)N2Cc3ccccc3CN12 1579238 QMZHOPRQSGJBFC-UHFFFAOYSA-N 355.825 2.442 0 40 FEAB Cc1cc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)no1 2640600 XJNIQYVMDFYXQM-UHFFFAOYSA-N 352.276 2.294 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)[C@H]2Cc3ccccc3O2)s1 21588403 WSTAPVHTGWJQJD-LLVKDONJSA-N 365.436 2.136 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)Cn1ccnc1 32912133 VQZHAGNBINSSIF-CZUORRHYSA-N 362.861 2.496 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 6408619 UEOBQYNYMGKLAN-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB COc1cccc(CN2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)c1 6741658 UQXFHCWYCVWNPN-JFRXWTBNSA-N 372.465 2.086 0 40 FEAB COc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 8605442 WCBCKVIGKIYFOA-UHFFFAOYSA-N 357.391 2.394 0 40 FEAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 687624 YCGMXQUUJWTFIC-UHFFFAOYSA-N 373.413 2.441 0 40 FEAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccnc1)C2=O 22959812 YXZGYVNYVWORFV-UHFFFAOYSA-N 372.469 2.225 0 40 FEAB COc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 22911516 AIJIGUWQASNWEP-INIZCTEOSA-N 372.469 2.445 0 40 FEAB O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 23078836 TXTNIVAEHJJQQF-UHFFFAOYSA-N 373.390 2.111 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1C(F)(F)F 9483993 XBTXGKRBJMABOG-MELADBBJSA-N 355.360 2.433 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c(C)c1 9926496 BFRPYSHRUYEBRF-OAHLLOKOSA-N 362.393 2.479 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 12400178 QNJMMZYLNOUSOV-UHFFFAOYSA-N 361.833 2.338 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 22258698 MYMTWXIOMSTTGU-OAHLLOKOSA-N 359.451 2.429 0 40 FEAB CC[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1OCC(=O)NC 56114970 QJLQPUKHHZHDFL-MRXNPFEDSA-N 362.451 2.241 0 40 FEAB COC(=O)COc1ccc(NS(=O)(=O)c2cc(C)ccc2O)cc1 57118341 ROMFHTCRMZKVBT-UHFFFAOYSA-N 351.380 2.053 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)o1 101678265 TVEVARRXDFIHIR-QEJZJMRPSA-N 352.394 2.312 0 40 FEAB Cc1cc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F 26912498 BVHHIWUPHXDBGW-UHFFFAOYSA-N 365.449 2.303 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)no1 3354819 JACZHDROXCCJJE-UHFFFAOYSA-N 358.427 2.320 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1c(F)cccc1Cl 3382657 HLPMAPPQZHOPRX-UHFFFAOYSA-N 356.762 2.435 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)O 12764550 FHSBFVYPKANALJ-MWLCHTKSSA-N 360.505 2.314 0 40 FEAB CCOCCCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12739998 YKCRJSDHNKNUHN-LBPRGKRZSA-N 369.259 2.345 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CCc2ccccc21)C(F)(F)F 48366732 VAHSAMSHHZGGEE-CZUORRHYSA-N 353.344 2.364 0 40 FEAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@@H](C(F)(F)F)C1 48309493 IYYOVRLHVHYGKS-ZIAGYGMSSA-N 353.348 2.258 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)CCn2c(=O)oc3ccccc32)CC1 12803984 SZSGDUOIPMFKNN-AWEZNQCLSA-N 360.410 2.175 0 40 FEAB COCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12806618 HVGWZGZNWUPDGB-UHFFFAOYSA-N 369.259 2.064 0 40 FEAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 3595260 DJQRNDMVIPQTKA-DIFFPNOSSA-N 351.834 2.412 0 40 FEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(C(=O)NC2CC2)c1 12920076 DWQHFTJYXCBGKY-KRWDZBQOSA-N 365.389 2.307 0 40 FEAB Cc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)o1 8727495 HLDSRHSSLHGOPV-UHFFFAOYSA-N 353.201 2.441 0 40 FEAB COc1ccc(CNC(=O)Cn2cnc3cc4c(cc32)OCCO4)cc1 64794745 BBAPWJGIMBEDAN-UHFFFAOYSA-N 353.378 2.133 0 40 FEAB CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccn2)CC1 18250312 FFCXIAQEBGGPOG-INIZCTEOSA-N 370.453 2.168 0 40 FEAB CC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc(O)cc1O)c1ccc(C)cc1 18340410 QKJFISHMTWGLHQ-KRWDZBQOSA-N 371.389 2.400 0 40 FEAB C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2ccnc2)cc1 9378124 HEQXBHCRHJZFOI-CQSZACIVSA-N 359.393 2.339 0 40 FEAB CCCCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N(C)C)ccc21 6125315 DAPIFPUVXQTHQI-UHFFFAOYSA-N 353.444 2.104 0 40 FEAB CCOC(=O)c1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 5216666 PSALNFQFMJZBGG-MRXNPFEDSA-N 371.389 2.198 0 40 FEAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccc(F)cc1 5349947 PPNBHTPANJSLLH-VBNZEHGJSA-N 373.380 2.281 0 40 FEAB COc1ccc(C(=O)C2CCN(c3ncnc4c3cnn4C)CC2)cc1 14111281 BRMVTXHHCLXJGM-UHFFFAOYSA-N 351.410 2.471 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccn(Cc2ccc(F)cc2)n1 14225609 JCASITTZZGVTTB-UHFFFAOYSA-N 363.418 2.222 0 40 FEAB CCOC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc2c1CCC2 6672091 CRDBFDHZQZLLHI-UHFFFAOYSA-N 373.434 2.063 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 5674683 SPVLTORIHCEBAC-UHFFFAOYSA-N 362.426 2.281 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(S(C)(=O)=O)cc1 15358942 PLIXCALZUMSGPQ-LLVKDONJSA-N 357.428 2.269 0 40 FEAB CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 9053757 AMZYCMFRLKTHCM-UHFFFAOYSA-N 364.398 2.288 0 40 FEAB C[C@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2S1 9076632 LWQCFQDZQFMSRG-UONOGXRCSA-N 368.524 2.023 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccs2)C1=O 409245482 ULXGQVUJNNLCOW-UKTHLTGXSA-N 357.391 2.288 0 40 FEAB Cc1cccc(C)c1-n1nnnc1SCn1nnc2ccccc2c1=O 9453774 RZNHTGUTIGBQIR-UHFFFAOYSA-N 365.422 2.134 0 40 FEAB O=C(NCCCNS(=O)(=O)c1ccccc1)c1cc2ccccc2[nH]1 8404528 WWFJAJPGQNWPBF-UHFFFAOYSA-N 357.435 2.266 0 40 FEAB CC(C)Cn1nccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 71805609 YILXBKAECSWXBW-UHFFFAOYSA-N 355.486 2.295 0 40 FEAB COc1coc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1=O 72325725 AEWRAGAAEWQODR-VMPITWQZSA-N 354.406 2.120 0 40 FEAB biogenic CCS[C@@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 78649617 ZFKSUBIXKMKFRJ-WBVHZDCISA-N 374.510 2.241 0 40 FEAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 79309944 ZJNKHCSRBXBYQR-CQSZACIVSA-N 372.343 2.233 0 40 FEAB COCc1nnc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)s1 79491898 JLNVPWZIJDXFSJ-UHFFFAOYSA-N 373.438 2.157 0 40 FEAB Cc1c(C(=O)N(C)CC2CCN(C[C@H](C)O)CC2)oc2c1C(=O)CCC2 89568159 HIYDGNLRUXFCJN-ZDUSSCGKSA-N 362.470 2.272 0 40 FEAB CCC(CC)(CCO)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 89943021 QCIWORLXWWVGRH-UHFFFAOYSA-N 374.503 2.275 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1 408701984 IPTUUTGBILJVLS-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB O=C(C[C@H]1CN(Cc2ccsc2)Cc2ccnn21)N1CC(F)(F)C1 306139285 SUAMMOLMEKUXGR-AWEZNQCLSA-N 352.410 2.369 0 40 FEAB CC(=O)Nc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)ccc1C 547862532 RYOUSUFMGLIVBK-UHFFFAOYSA-N 368.437 2.115 0 40 FEAB CN1C[C@@]23CCCC[C@@]2(C1)CN(C(=O)c1cccc2c1oc(=O)n2C)C3 1514998965 DCCFEYMUDIYZBY-WOJBJXKFSA-N 355.438 2.080 0 40 FEAB COCC(=O)N1CC[C@]2(c3ccccc3)CCN(CC3CC3)C(=O)C[C@H]12 306134244 NGXBIQLXLUPMRJ-RXVVDRJESA-N 356.466 2.204 0 40 FEAB COc1ccc(CCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1 36357343 PXFYSGSYTNIQFK-UHFFFAOYSA-N 369.450 2.194 0 40 FEAB CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C(=O)O)ccc3OCC)nn12 77311987 KZNXGHYOSBOMJW-UHFFFAOYSA-N 356.382 2.442 0 40 FEAB in-vitro O=C(NCCc1ccc2c(c1)OCO2)NCCc1ccc2c(c1)OCO2 36476516 DLYIMVQNIYNXHN-UHFFFAOYSA-N 356.378 2.228 0 40 FEAB CC(=O)c1ccc(N2CCN(CCC(=O)Nc3ccccn3)CC2)cc1 36398455 NFZXJHJWDMYRKE-UHFFFAOYSA-N 352.438 2.435 0 40 FEAB CCN(CC)c1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cn1 49409707 NTHYQXQCKCNRKI-UHFFFAOYSA-N 373.457 2.317 0 40 FEAB biogenic CN1CCN(c2ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn2)CC1 72216506 VWCCJAUGUCQEGZ-UHFFFAOYSA-N 362.474 2.321 0 40 FEAB Cc1cc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)on1 77122842 CIJIMMRVJYSAKI-UHFFFAOYSA-N 350.440 2.067 0 40 FEAB CCCn1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1=O 48302798 DTGWUNOXSFOTOL-UHFFFAOYSA-N 352.412 2.076 0 40 FEAB C[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 225090045 UZDNWZQURZKKMS-CQSZACIVSA-N 372.446 2.422 0 40 FEAB CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)OCCO2 224837203 GIIGZUQUSOVPLF-UHFFFAOYSA-N 363.391 2.054 0 40 FEAB COc1ccc2cc(C(=O)NCc3nn(C)c(=O)c4ccccc34)[nH]c2c1 75148938 BUHRXBNIHVAVOK-UHFFFAOYSA-N 362.389 2.353 0 40 FEAB COc1ccccc1N1CC[C@H](Oc2ccc3c(c2)CCNC3=O)C1=O 570010719 DUGZZFOOYINRSZ-SFHVURJKSA-N 352.390 2.165 0 40 FEAB COc1cc(C)c(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c(C)c1 47462058 JKIZMGJYDSGDKS-HNNXBMFYSA-N 363.435 2.430 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3c[nH]c4ccccc34)C2)n1 225401094 ZQUMARHXGHMZCO-ZDUSSCGKSA-N 351.410 2.317 0 40 FEAB CCCCS(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 41115594 ABYVANOZXINPJP-MRXNPFEDSA-N 360.907 2.433 0 40 FEAB Cc1ncsc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 574213722 AOMBMTNKBSJGDV-ZDUSSCGKSA-N 351.453 2.243 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1 96223482 NJAGUJZWYQEFOL-ICSRJNTNSA-N 355.486 2.071 0 40 FEAB COc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1 96049145 JAMQLHBLRFGZMC-HXUWFJFHSA-N 354.454 2.357 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96078623 NERSGMLTTAZRCT-QGZVFWFLSA-N 359.470 2.149 0 40 FEAB O=C(CCc1ccccc1)N1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 96245494 GWIQLGCTBPQKSN-HZPDHXFCSA-N 355.463 2.306 0 40 FEAB O=C(NCCc1cccs1)[C@H]1CN(Cc2ccco2)Cc2cncn21 247463165 BRDXXMVGSUBCAS-QGZVFWFLSA-N 356.451 2.453 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4cccnc4)C3)ccnc12 257279192 OFLRLDHHIVJJHQ-INIZCTEOSA-N 364.453 2.206 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](c3cncc(-c4cncn4C)n3)C2)no1 257255114 KGDRCISPVRUMBW-ZDUSSCGKSA-N 352.398 2.193 0 40 FEAB Cn1nc(C(F)(F)F)cc1C(=O)NCc1cccnc1N1CCCC1 617486569 XJTGSQDTCMHCGB-UHFFFAOYSA-N 353.348 2.364 0 40 FEAB CN1C(=O)CN(CC(=O)N(CCc2ccccc2)c2ccccc2)C1=O 624679288 BFFZOSPGGLMSHD-UHFFFAOYSA-N 351.406 2.156 0 40 FEAB Cc1cc(N2C[C@H](C(=O)N[C@H]3CCNC34CCCC4)CC2=O)ccc1F 648211314 OACZRAINMHYNHQ-PBHICJAKSA-N 359.445 2.278 0 40 FEAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575422194 AIHHNAANLPPOBU-WCQYABFASA-N 365.904 2.316 0 40 FEAB COc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)cc1 585278877 WKDDJFSLNLSEJS-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB O=C(NC1CC(F)(F)C1)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101131 GSLSTTRZPFZGSA-QGZVFWFLSA-N 364.396 2.106 0 40 FEAB CCn1ccnc1CN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 60378849 JYVFEKBXCCBSCM-UHFFFAOYSA-N 368.528 2.088 0 40 FEAB C[C@H](NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1 585188705 JFVTTZVEIMSUKY-ZFWWWQNUSA-N 373.478 2.222 0 40 FEAB C[C@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 21986084 OOZLYRJGBGUXJY-WDEREUQCSA-N 360.385 2.307 0 40 FEAB CN1CCC(CCNS(=O)(=O)c2ccc(Br)cc2)CC1 120965332 XADFSSZZGSESLS-UHFFFAOYSA-N 361.305 2.459 0 40 FEAB CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 12347167 ZXGHKWGZOHUMQO-BLLLJJGKSA-N 359.451 2.038 0 40 FEAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 12734152 OYZXOPXLGJDKOL-CSNVJCEJSA-N 370.449 2.416 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1nn(C)cc1Cl 13226884 XIPCTVCATSMTLU-GXFFZTMASA-N 356.817 2.327 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2CC)cc1 14607352 UJNPGTRJWUKMHQ-INIZCTEOSA-N 362.426 2.219 0 40 FEAB CCCn1cnc2c1CN(C(=O)c1ccc(N(C)C)cc1)[C@H](C(=O)OC)C2 15707018 OWZSSIPJVAYNEI-KRWDZBQOSA-N 370.453 2.099 0 40 FEAB biogenic,in-vitro NC(=O)c1ccc(S(=O)(=O)Oc2cccc(Br)c2)cc1 16726132 GTIRVMDWIAJMHU-UHFFFAOYSA-N 356.197 2.316 0 40 FEAB Cc1cccc(CC(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)c1 19234611 IQABQHMEFHGMBM-KRWDZBQOSA-N 363.465 2.257 0 40 FEAB CCOCc1ccc(C(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1 19531207 IJLQRRDMLUXKIS-UHFFFAOYSA-N 357.454 2.395 0 40 FEAB CNc1ncccc1CN1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643586071 WAJLCHYAWWFPFD-ILZDJORESA-N 357.429 2.382 0 40 FEAB Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)cc(C(F)(F)F)n1 1888843155 OHEOYLNZYAJBAU-UHFFFAOYSA-N 351.332 2.161 0 40 FEAB O=C1CN(C2CCN(c3ncnc4ccsc34)CC2)C(=O)N1C1CC1 1888863721 AIKDJEDXUBJBLS-UHFFFAOYSA-N 357.439 2.087 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2ncccn2)CC1 244986267 JNKRCTDMSFZHPN-SHTZXODSSA-N 355.394 2.254 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)o1 2720245 AHMPDXQALKPONO-LLVKDONJSA-N 364.427 2.193 0 40 FEAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)NCc1ccco1 4166564 DZHCPWVYNIKYMV-UHFFFAOYSA-N 366.406 2.212 0 40 FEAB CCOC(=O)N1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1 4478904 LCVYVXLLCCHRLZ-UHFFFAOYSA-N 352.456 2.097 0 40 FEAB CCCNC(=O)Cn1nc(-c2ccc(OC)cc2)c2sc(C)nc2c1=O 8955428 IQZONYITJZQMEO-UHFFFAOYSA-N 372.450 2.363 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772914 VKJSPNHXXXOHPZ-UHFFFAOYSA-N 372.856 2.400 0 40 FEAB CC(C)(C)NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907585 HNZWBPVGJRCLPQ-KRWDZBQOSA-N 369.465 2.410 0 40 FEAB COC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(N(C)C)cc3)C2=O)cc1 101163546 IHQAZLYYUKBKKE-KRWDZBQOSA-N 367.405 2.283 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccc(F)cc1 40152567 YFLUXJKYYYVBRJ-UHFFFAOYSA-N 352.369 2.138 0 40 FEAB O=C1C(=O)N(CN2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 20613932 OBNCBBRQOAGASS-UHFFFAOYSA-N 353.397 2.130 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1F 656018 QFKZXRUCDYPRCR-UHFFFAOYSA-N 362.426 2.177 0 40 FEAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 21783862 MUFAZUXPJDNRQB-UHFFFAOYSA-N 360.838 2.112 0 40 FEAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Nc3ccccc3)c(=O)n1C2 6137734 JQNHYJIRYHWBAO-LSDHHAIUSA-N 366.421 2.458 0 40 FEAB biogenic,in-vitro COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(F)cccc1Cl 6433580 NCBUFIVSHTWLQC-ZDUSSCGKSA-N 358.822 2.462 0 40 FEAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 6859852 GMOTVGWGNNVTLU-MRXNPFEDSA-N 367.492 2.428 0 40 FEAB Cc1ccc(CN2CCO[C@@]3(CCC[C@H]3COCC(=O)N(C)C)C2)o1 107195244 XTPLQEPDJVQMIF-LPHOPBHVSA-N 350.459 2.064 0 40 FEAB CC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010068 WYOWPAYJXFNTRV-CYBMUJFWSA-N 356.513 2.478 0 40 FEAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 8667542 RYSFVAYFJNQOBY-ZDUSSCGKSA-N 372.421 2.053 0 40 FEAB Cc1sc2ncnc(N3CCN([C@H](C)C(=O)NC4CC4)CC3)c2c1C 22195914 BHKREOBBNVABKN-GFCCVEGCSA-N 359.499 2.097 0 40 FEAB CSc1nnc(SCC(=O)NC[C@@H]2Cc3ccccc3O2)s1 53481135 GDHOVILBDQQJJK-JTQLQIEISA-N 353.494 2.472 0 40 FEAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 42332302 ZOSAZSUSTICMQE-AWEZNQCLSA-N 361.398 2.058 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3ncsc3c2)C1=O 9750721 REKBJGYRSBIPJU-GOSISDBHSA-N 366.402 2.408 0 40 FEAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCNC2=O)c1CC 24907599 BMZMYBSLTLEGLC-UHFFFAOYSA-N 369.421 2.458 0 40 FEAB Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cnn1-c1ccccc1F 25170746 MNZYOAWEYRIYBD-UHFFFAOYSA-N 356.401 2.014 0 40 FEAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1cccnc1-n1cccn1 47542481 XXSYFCKVRDWSMV-UHFFFAOYSA-N 365.441 2.258 0 40 FEAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)n1 100205611 FSAGMLBIHQFRTF-UXLLHSPISA-N 374.485 2.056 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(SCc2cscn2)cc1 12552435 FURCAUILWNEGAJ-LBPRGKRZSA-N 368.505 2.352 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](n3cnnn3)[C@H]2c2ccccc2)cc1OC 58166643 HIDKAHLZLFHAHY-MSOLQXFVSA-N 365.393 2.015 0 40 FEAB CS[C@@]12C(=O)O[C@H]3CC[C@@H]4[C@@H]5[C@@H]6C(=O)O[C@@H]7CC[C@@H]8[C@H]7[C@@H]6[C@H]([C@@H]5[C@@H]1[C@@H]34)[C@@H]82 104286888 JDROFKWAZRVEEN-FNSNZPNWSA-N 372.486 2.359 0 40 FEAB O=C(NCc1ccc(OCC2CC2)nc1)[C@H]1CC(=O)N(Cc2ccco2)C1 58185045 IJCQRAAVSMORTL-INIZCTEOSA-N 369.421 2.128 0 40 FEAB COc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)NC(C)C 27652233 VMHYFYNGVPPSLY-UHFFFAOYSA-N 363.439 2.338 0 40 FEAB O=C1NN(c2cccc(C(=O)N3CCCCC3)c2)C(=O)[C@@H]2CC=CC[C@@H]12 58291002 AZBDKFPQAZPSSQ-IAGOWNOFSA-N 353.422 2.273 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(OC)cc(OC)c1 3248053 SBOXDCQJHORKGC-UHFFFAOYSA-N 360.366 2.293 0 40 FEAB Cc1ccnc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 62022705 QKEYAWNEKVAVOP-UHFFFAOYSA-N 363.425 2.221 0 40 FEAB Cc1noc(C)c1CC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 48290975 WACSTXKHVGMCQN-GFCCVEGCSA-N 350.440 2.457 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1CO 48275016 XDWQWFNHFFCEIL-UHFFFAOYSA-N 365.407 2.150 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1C1=Cc2ccccc2OC1 28924723 FFOSVAQWRICWLJ-FQEVSTJZSA-N 363.417 2.127 0 40 FEAB CCCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 12779780 PQZJIBDAQDEGJB-GOSISDBHSA-N 358.463 2.328 0 40 FEAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C 17300169 RJYPPGFMONBIKP-ZDUSSCGKSA-N 354.472 2.397 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9253157 XEKUPACCKWNBNH-KGLIPLIRSA-N 371.462 2.299 0 40 FEAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(Br)cc1O 409034076 NCHRQWQCQDZROC-WTKPLQERSA-N 357.229 2.193 0 40 FEAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2ccccc2c1 14060936 DOWXALRFIGCZKN-CYBMUJFWSA-N 361.405 2.161 0 40 FEAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505430 MTPIZTRLVIZDDJ-AWEZNQCLSA-N 359.513 2.182 0 40 FEAB O=C(Oc1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 6654510 JVIMHPQUKVKGAW-AWEZNQCLSA-N 370.430 2.453 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1C 5778682 PUMFEMFUSARINN-CQSZACIVSA-N 372.446 2.325 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1csc(-c2cccc(Cl)c2)n1 7106503 WFYBWICEALOZGW-UHFFFAOYSA-N 366.826 2.479 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NC[C@H]1CCCO1 7616818 QKPYUCAZRJXJCF-CQSZACIVSA-N 359.455 2.062 0 40 FEAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1 19360599 NWSHPWVJEMDBFP-UHFFFAOYSA-N 371.412 2.311 0 40 FEAB CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 24593965 UURZIEHLKMIQHO-UHFFFAOYSA-N 365.308 2.083 0 40 FEAB CCN(C(=O)Nc1cnn(CCOC)c1)[C@H]1CCN(c2ccccc2)C1=O 72289070 WKLPCGCXJNHSQK-KRWDZBQOSA-N 371.441 2.189 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2)n1 97138293 VEHYXQVGLQIOLE-SFHVURJKSA-N 352.438 2.372 0 40 FEAB Cc1cc(OCC(N)=O)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1 84093202 TWZGORAVMXOIRZ-SFHVURJKSA-N 369.421 2.465 0 40 FEAB COCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)s1 72405290 MHWSRJBKOXFYHJ-UHFFFAOYSA-N 359.411 2.346 0 40 FEAB CCOCCn1nc(C)cc1C(=O)N1CCC2(CC1)OCCC[C@@H]2OC 95359820 FAQNLOMNPXGFIN-KRWDZBQOSA-N 365.474 2.028 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc(C)cnc2N)cc1OC(F)F 89580181 BVIIBQQLARSXGQ-UHFFFAOYSA-N 359.354 2.383 0 40 FEAB O=C(CNS(=O)(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 24654500 PDRYFKLKSJECPU-UHFFFAOYSA-N 354.497 2.111 0 40 FEAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cc1 306127685 GETASFKCPCGMSS-SJORKVTESA-N 365.481 2.037 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 408560902 QPEZYMDHGHVPPZ-LBPRGKRZSA-N 374.890 2.274 0 40 FEAB CCn1cc(CNS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2C)cn1 505830479 DEXXQORWUHCADI-UHFFFAOYSA-N 357.819 2.042 0 40 FEAB Cc1cc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n[nH]1 506600585 GTJWYHSYSACQME-BBRMVZONSA-N 365.478 2.097 0 40 FEAB CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)n(C)n1 71195713 CMCLITPFDLAPLD-MRXNPFEDSA-N 350.426 2.371 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)n(-c2ccccc2)c1=O 75165273 ASUDJJQWRKIIIY-CQSZACIVSA-N 352.394 2.184 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)SCC4)cc1 49403657 AERMLGPGDBDNHG-UHFFFAOYSA-N 367.430 2.441 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 225038354 DGIRFAJTFBAUGR-TVNQGELYSA-N 351.380 2.302 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)CCCc1ccccc1 224359754 RHPJRIDXSIIOMT-UHFFFAOYSA-N 369.469 2.341 0 40 FEAB Cc1ccc(CN2CCO[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]32)o1 96248801 PIRLWWNYCGLIQY-APWZRJJASA-N 370.405 2.042 0 40 FEAB CCOc1cc2c(cc1CN1CCN(C)[C@@]3(CCNC(=O)CC3)C1)CCC2 91626148 DZVLJLMEEWUHEL-QFIPXVFZSA-N 371.525 2.360 0 40 FEAB COc1cccc([C@H]2C[C@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)c1 579560693 FELVRRYIKLRFJC-QAQDUYKDSA-N 363.421 2.411 0 40 FEAB Cc1cc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(C)o1 96227004 YMSRPPNMUDQHND-PXNSSMCTSA-N 353.422 2.460 0 40 FEAB c1cncc(OC[C@H]2CCOC23CN(Cc2ccc4c(c2)OCO4)C3)c1 248343115 ZPBXSDVQDXXUPN-MRXNPFEDSA-N 354.406 2.480 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 257295260 QXPWNWJDUWFCLB-MRXNPFEDSA-N 350.378 2.253 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2cccnc2)c1 253602224 LJYGVVPJBZEQQA-GOSISDBHSA-N 353.422 2.233 0 40 FEAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2Cc1ccc2ncccc2c1 257239774 HQSRXSYOZSYJIY-SESVDKBCSA-N 353.466 2.429 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@H]1c1cnn[nH]1 622168061 QGMLSBRRYMDHPS-FUHWJXTLSA-N 355.442 2.050 0 40 FEAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1 630654243 AGGIRKOHVBBNTP-QZTJIDSGSA-N 355.438 2.215 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1Cc1ccc(F)cc1Br 643764658 AIAGNOYMTJGUGJ-OAHLLOKOSA-N 359.239 2.315 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc(-n3cccn3)cc2)C1 644118787 YSIDAJUFZSKINA-SJORKVTESA-N 351.410 2.127 0 40 FEAB O=C(Cn1ccc2ccccc21)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377563 KCVDIKMXKRSVIP-UHFFFAOYSA-N 372.421 2.465 0 40 FEAB CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1C 96389566 XLCGBSDOEDUEMO-GOSISDBHSA-N 370.405 2.209 0 40 FEAB CO[C@@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1ccccc1F 585278468 DZLAUNSTRYJWNF-RHSMWYFYSA-N 359.401 2.350 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2coc3cc(C)c(C)cc23)C1 685941498 XWTSUUXTVZBZIV-WFASDCNBSA-N 358.394 2.101 0 40 FEAB C[C@H](NC(=O)N1CCc2ccccc2C1)c1cccc(S(N)(=O)=O)c1 54073663 RYLCOJLJSMDMSZ-ZDUSSCGKSA-N 359.451 2.163 0 40 FEAB O=S(=O)(c1cccnc1)N1CCN([C@H]2CCCc3ccccc32)CC1 58003769 HGWCUYLCFYIDPS-IBGZPJMESA-N 357.479 2.466 0 40 FEAB O=C1CC2(CN(Cc3ccc4c(c3)OCCO4)C2)ON1Cc1ccccc1 1549162729 VDOMHKOCWTZEJT-UHFFFAOYSA-N 366.417 2.376 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O 12647815 YLOYJDUYRNCGAH-UHFFFAOYSA-N 353.426 2.157 0 40 FEAB O=C(c1cccs1)N1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 13266335 WUZWBCKBDYMNGQ-ZDUSSCGKSA-N 354.439 2.349 0 40 FEAB CC(=O)N1CCC[C@@H](c2cc(O)nc(C3CCN(C(=O)C4CC4)CC3)n2)C1 19016990 QOKGRABQHAHYED-MRXNPFEDSA-N 372.469 2.024 0 40 FEAB Cc1nc([C@@H]2CCN(Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[nH]1 19285239 YJOBXYNRYFSNQF-MRXNPFEDSA-N 352.438 2.195 0 40 FEAB CCOC(=O)c1n[nH]cc1CN1CCCN(Cc2cccc(F)c2)CC1 19530694 ULKZQTYLPVXZNJ-UHFFFAOYSA-N 360.433 2.433 0 40 FEAB C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@]12C 253388330 LLKIVVHUJOPYIV-MILQHITDSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro O=C(CCOc1ccccc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 592404099 XUICNVYBGPSNTL-HZPDHXFCSA-N 352.862 2.167 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)COc4ccccc4Cl)C[C@@H]3C2)ncn1 1776009323 DEMDZPMZTLYHKQ-GJZGRUSLSA-N 372.856 2.412 0 40 FEAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC1CCCCC1 9040619 MXOYLGHYLQNHEK-ZDUSSCGKSA-N 359.426 2.400 0 40 FEAB CC(C)N1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 12441411 LEUXQJMRWPTRNF-UHFFFAOYSA-N 351.878 2.193 0 40 FEAB O=C(NC[C@H](OCCO)c1ccsc1)Nc1ccc2c(c1)OCO2 575621413 OAZGHANQHKTLSE-HNNXBMFYSA-N 350.396 2.349 0 40 FEAB C[C@H]1CN(C(=O)Cn2c([C@H]3CCCNC3)cc3cccnc32)C[C@@H](C)O1 19497266 UMFXJWAIKOWEPY-UXLLHSPISA-N 356.470 2.139 0 40 FEAB COC(=O)COC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360130 KTYPIFZAGLPPKI-UHFFFAOYSA-N 355.321 2.460 0 40 FEAB Cc1cnc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)s1 20006736 OTIOZMMVWUEWCN-SECBINFHSA-N 351.453 2.414 0 40 FEAB C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1 40160740 NZYSNRGZSWPWAK-NSHDSACASA-N 364.389 2.385 0 40 FEAB CC(C)c1ccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)c(O)c1 40154757 LGNCZFMZAGDMDS-UHFFFAOYSA-N 356.488 2.306 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1nc(C(C)(C)C)no1 40142387 SBEDEJFPIQEJOW-UHFFFAOYSA-N 355.402 2.223 0 40 FEAB CC(C)(C)c1ccc([C@@H]2CCCN2CCS(=O)(=O)CCC(N)=O)cc1 40154564 WNRIUEBERJBPDV-KRWDZBQOSA-N 366.527 2.411 0 40 FEAB O=C(CN1CCC[C@H](C(=O)NC2CC2)C1)NC1(c2ccccc2)CCC1 51044424 NQXAXYCDIOKMLE-INIZCTEOSA-N 355.482 2.173 0 40 FEAB O=C(NCCN1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12 20533877 RVYVQGOATNLYOE-UHFFFAOYSA-N 362.433 2.359 0 40 FEAB Cc1sc(-c2ccco2)nc1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 102140176 BPQVFNLLLBFXRI-NSHDSACASA-N 370.452 2.340 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 803201 OFEIMXRKQMBMPZ-VWPFQQQWSA-N 351.761 2.329 0 40 FEAB COC(=O)[C@@H]1CCc2cnn(Cc3nnc(-c4cccc(OC)c4)o3)c2C1 78991462 USJBKSWSFAPKMK-CYBMUJFWSA-N 368.393 2.268 0 40 FEAB CNC(=O)Cc1nc(CS(=O)(=O)[C@H]2CCCc3ccccc32)cs1 79024233 OOPRXONMNSEQLP-HNNXBMFYSA-N 364.492 2.424 0 40 FEAB CC(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3280176 BVZJGJAZLWIBPP-UHFFFAOYSA-N 351.362 2.421 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCC(C)CC2)c1C 3587552 VNLKUIMBYGGZJO-UHFFFAOYSA-N 350.415 2.224 0 40 FEAB CCCn1c(SCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 6678067 QUESYFUKJOVBAS-UHFFFAOYSA-N 358.467 2.179 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1N1CCCC1 12517312 OGULAEFCJHDEHP-UHFFFAOYSA-N 365.481 2.443 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1C 100394880 AHOXZZUUWXAPPA-GZXFCSGKSA-N 350.418 2.359 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(OC)c1 1361737 LSWMLXNDWUHWEC-GFCCVEGCSA-N 356.378 2.456 0 40 FEAB Cc1ccc(C(=O)COC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 23232597 KJMSTVZLSAWODO-UHFFFAOYSA-N 353.421 2.468 0 40 FEAB CCCN(CCC)C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 22705780 BSCHYJKGIMJCLL-UHFFFAOYSA-N 354.472 2.206 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 3383597 GMNIBRWFOUYYSY-UHFFFAOYSA-N 355.753 2.009 0 40 FEAB CCS(=O)(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(C)cc2)C1 58017695 OHLTZMFFGFIFAW-CQSZACIVSA-N 356.513 2.017 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 10091363 WQFBEJBIBDZNJD-SFHVURJKSA-N 364.467 2.285 0 40 FEAB CN1CCN(N2CN(Cc3ccccc3)Cn3c2nc2ccccc23)CC1 20637232 GNNBIHHPRAAMNV-UHFFFAOYSA-N 362.481 2.436 0 40 FEAB CC(C)c1nc(CCNC(=O)CCn2nnc3ccccc3c2=O)cs1 58225284 OLXVFVLWMHOTJB-UHFFFAOYSA-N 371.466 2.120 0 40 FEAB O=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccc(Cl)cc1 22423595 YSQSHJJFNWUJDQ-UHFFFAOYSA-N 368.846 2.286 0 40 FEAB COCCN(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)oc1=O 58361984 BLZBOZYHWPRMFT-UHFFFAOYSA-N 373.434 2.240 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408595599 QWCQYPKULDVFKE-KGLIPLIRSA-N 356.488 2.303 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccccc1F 12890803 QNHIZJWGNWKGMG-LJQANCHMSA-N 353.353 2.373 0 40 FEAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCCN(C)CC1 3430420 AOLGXVUGBIZPHO-INIZCTEOSA-N 353.466 2.051 0 40 FEAB COC(=O)c1c(C)nc(C(C)C)nc1SCC(=O)NCC(F)(F)F 12949904 LTIRCALQQXKWGK-UHFFFAOYSA-N 365.377 2.466 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)CO[C@H]1CCCc2ccccc21 12918481 DLSOZCGLMYHSBJ-KANFNMMFSA-N 355.434 2.393 0 40 FEAB CNC(=O)C1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 12997054 CYSZNABRYINUPV-KRWDZBQOSA-N 356.426 2.121 0 40 FEAB O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 8720302 UGJSWBQDYYERNN-UHFFFAOYSA-N 360.391 2.108 0 40 FEAB CCN(C(=O)COC(=O)[C@@H](C)NC(=O)c1ccco1)C1CCCCC1 39223798 MNELWCNFRJCOIG-CYBMUJFWSA-N 350.415 2.122 0 40 FEAB C[C@@H]1CCc2ccccc2N1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 14092810 RHKDHQSTEMLKOD-KUHUBIRLSA-N 365.433 2.107 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 14085509 ARWAVUSUHNODCI-UHFFFAOYSA-N 368.458 2.487 0 40 FEAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cnc2n(c1=O)CCS2 14198902 DSNLKRGGJANYEW-LBPRGKRZSA-N 363.439 2.455 0 40 FEAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c(C(N)=O)c1 25145456 BDIUBYVUMWKXEF-UHFFFAOYSA-N 364.398 2.359 0 40 FEAB CN(CCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 14597800 DHOOVEBSVZLIPQ-ROUUACIJSA-N 371.481 2.194 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)c1ccc(Br)cc1 6852587 YSQKPFDEWNANQV-UHFFFAOYSA-N 359.183 2.074 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 4922167 VHWPDHZVMSODCJ-HLLBOEOZSA-N 360.454 2.209 0 40 FEAB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCc2ccccc21 7738058 KTVVEYWTEXATKS-SCLBCKFNSA-N 353.374 2.347 0 40 FEAB COc1ccc(OCCCn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 19620884 XFFDDGOFZQUFGT-UHFFFAOYSA-N 373.434 2.343 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)/C(=C/c1ccccc1)c1cccs1 9909331 NBAQXYVHYLDCTF-SDNWHVSQSA-N 356.403 2.384 0 40 FEAB CO[C@]1(C)C[C@H](N(C)C(=O)CCc2c(C)nc3ncnn3c2C)C1(C)C 75293386 ZWWUZGZXOBJSGJ-HNAYVOBHSA-N 359.474 2.336 0 40 FEAB CCn1cc(Cl)c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)n1 75403574 UQARYLNSBVLBDT-UHFFFAOYSA-N 351.838 2.119 0 40 FEAB COc1ccccc1CSc1nnc(NCc2ccccc2)c(=O)n1N 28536433 MFPNZCJXUCPKFI-UHFFFAOYSA-N 369.450 2.265 0 40 FEAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CCO)CC2)c1C 20192524 QGKUFTPHJYTUJU-UHFFFAOYSA-N 363.483 2.320 0 40 FEAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)NCCCn1ccnc1 36635269 SJZMNNWNKMNFPB-AWEZNQCLSA-N 358.423 2.048 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408708726 LOUUCULXPKDOOD-UHFFFAOYSA-N 353.422 2.390 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218578049 MXIPGHGGBRUCGT-BBWFWOEESA-N 350.871 2.244 0 40 FEAB CCN1CCN(CCCNC(=O)c2ccc(F)cc2Br)CC1 41442800 CKIGPBZAEODKKM-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 223272886 FEUQOVBQACJJOS-UHFFFAOYSA-N 361.423 2.429 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 223291758 QMXJLKQFSQNAEY-DHZHZOJOSA-N 356.447 2.193 0 40 FEAB COc1cccc(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 49421005 VUXQVBFXRBONCZ-GOSISDBHSA-N 366.465 2.351 0 40 FEAB Cc1cc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)no1 96207447 DXKUDQHGRBGGMY-MRXNPFEDSA-N 353.426 2.423 0 40 FEAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccco1 96096362 OFMMPODDMQTOSO-CYBMUJFWSA-N 360.229 2.228 0 40 FEAB CN1CN(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)CC1=O 330252657 OLMKCQHNIMCCLD-UHFFFAOYSA-N 355.442 2.492 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1Cc2cncn2[C@@H](COCC2CC2)C1 247827899 JQRRAAFMTHMGDE-MRXNPFEDSA-N 355.394 2.236 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)cnn1C 257293023 QNVPMHDAVWIZKL-MRXNPFEDSA-N 352.442 2.339 0 40 FEAB Cc1ncc(CNC(=O)c2ccc3c(c2)OCO3)c([C@H]2CCCN2C)n1 257312872 UPYFHASKFMQJCD-OAHLLOKOSA-N 354.410 2.210 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 257251446 JQUJAUHUJAMBTK-SFHVURJKSA-N 355.486 2.352 0 40 FEAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(CC(N)=O)CC[C@H]3O[C@@H]21 257243555 IHNHBBMJPXIFJH-GJZVTGKDSA-N 360.454 2.120 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257293255 QOSSJDIDRZBTDD-QGZVFWFLSA-N 353.488 2.102 0 40 FEAB COc1cccc(Oc2ncccc2CNC(=O)N2CC[C@@H](C(=O)O)C2)c1 263307021 XVORYROXKDUTNW-CQSZACIVSA-N 371.393 2.499 0 40 FEAB COc1cccc2c(N3CCC[C@](O)(CC(=O)N(C)C)C3)c(C)cnc12 643718944 MOGJQMDUUJIESQ-FQEVSTJZSA-N 357.454 2.361 0 40 FEAB COc1cc2nc(N[C@@H]3CCc4nc(C)ncc4C3)nc(N)c2cc1OC 663502417 IRESEDHMUYAJHC-GFCCVEGCSA-N 366.425 2.297 0 40 FEAB CC(C)N(C)c1cccc(NC(=O)[C@H](C)n2cnc3c(N)ncnc32)c1 668522438 WHHVRHYSVZCPFH-LBPRGKRZSA-N 353.430 2.453 0 40 FEAB C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cnn(-c2ccccc2)c1 676860512 GXPWLMROJCNCQL-MRXNPFEDSA-N 371.462 2.444 0 40 FEAB C[C@@]1(CNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(F)F 661135084 ARZSHODYWNYRBG-DYVFJYSZSA-N 367.396 2.011 0 40 FEAB C[C@@H]1CCc2c(sc3ncn(C4CCN(CCC(N)=O)CC4)c(=O)c23)C1 12145485 MPNXSMHGKYHSLH-GFCCVEGCSA-N 374.510 2.095 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)o1 12146815 PXCFOZUXVCSUMP-UHFFFAOYSA-N 366.421 2.061 0 40 FEAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16637306 OIFYOTKTFPLBGE-NSHDSACASA-N 362.879 2.274 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 18063875 VOGBYYNDEMLRSI-ZDUSSCGKSA-N 371.220 2.422 0 40 FEAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cnn(C)c2)c(C)n1 19524662 OPSMSQOIWDQZLR-HNNXBMFYSA-N 351.476 2.251 0 40 FEAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 19660648 IHVZMCZAAABFKZ-CQSZACIVSA-N 362.455 2.240 0 40 FEAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19680689 ZATHDBNHYYABPY-UHFFFAOYSA-N 360.391 2.297 0 40 FEAB Cc1ccc2c(NC(=O)[C@@H](c3ccc(F)cc3)N3CCOCC3)n[nH]c2n1 19717094 VAOGYXDBTNKTHD-MRXNPFEDSA-N 369.400 2.417 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@@H]12 229941459 JMIAZDVHNCCPDM-RZKXCGKSSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro Cn1c(C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cc(=O)n(C)c1=O 19288713 KHFXWZBWVBYHLR-UHFFFAOYSA-N 353.353 2.142 0 40 FEAB CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](/C=C/C(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 252506077 OZESVNMBZAEFCX-ASIJPWFTSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro COc1ccc(CNC(=O)COC(=O)Cc2ccccc2F)cc1OC 3284001 OAKBFAGQDRVIRT-UHFFFAOYSA-N 361.369 2.245 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cccnc2O)C3)nc1 1888866480 PDQMENPFSAVROF-KUHUBIRLSA-N 354.410 2.207 0 40 FEAB COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1849706074 SPYVKTINFLDOFB-UHFFFAOYSA-N 374.462 2.215 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 21894196 BZTCWLKBVZZVHM-CYBMUJFWSA-N 353.378 2.153 0 40 FEAB Cn1c(N2CCC(S(=O)(=O)c3ccccc3)CC2)nc2cccnc21 1776009383 YBTFOGWJVYANFZ-UHFFFAOYSA-N 356.451 2.411 0 40 FEAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3ccnc(C(F)(F)F)c3)C2)C1 2056214951 JXZHAUXRIZCPOB-UHFFFAOYSA-N 370.375 2.366 0 40 FEAB CCc1ncc2n1-c1ncccc1NC21CCN(C(=O)[C@@H]2CCOC2)CC1 1614929648 LPXBPPYTQUDIBE-CQSZACIVSA-N 367.453 2.109 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F 4941257 UESIMQLVSKCNID-GFCCVEGCSA-N 359.419 2.188 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)cn1 2055718404 VGYHNAAFLSVKPD-RBUKOAKNSA-N 354.454 2.376 0 40 FEAB COCCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1 30436723 YIZPZSFUJZRBMI-UHFFFAOYSA-N 357.378 2.469 0 40 FEAB CCCCn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(C)cc32)c1=O 20611185 OEIDDRDQEYSILW-QGZVFWFLSA-N 368.437 2.067 0 40 FEAB biogenic CN(C)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 32759725 AFPGYPGMQTVPLH-KRWDZBQOSA-N 357.479 2.335 0 40 FEAB OC[C@@H](O)[C@H](O)[C@@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1686599 OORRNQJYAWSLHU-PVAVHDDUSA-N 357.233 2.200 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(ccn3C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 79480279 RYHAWDYXIMWLMA-OAHLLOKOSA-N 372.450 2.295 0 40 FEAB CCOc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1OCC 2802788 NUDDBPWKNCNGQP-UHFFFAOYSA-N 352.398 2.399 0 40 FEAB CCOC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C 32911705 KUXQMXKGOQJEGK-BBRMVZONSA-N 359.430 2.215 0 40 FEAB Cc1ccc(Cc2cnc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@@H]43)s2)cc1 32912810 KSOCASJNPBWLMD-ZFWWWQNUSA-N 362.476 2.192 0 40 FEAB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12196198 ZIUSFSIMXUGVDG-AWEZNQCLSA-N 372.421 2.465 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 667625 PHIUWLWHLAVARR-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB COC(=O)c1cc(NC(=O)C2CCN(c3cnccn3)CC2)ccc1F 23113374 NPCQTWFADGODPM-UHFFFAOYSA-N 358.373 2.257 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 47217174 RYLITBVFIATDIJ-ROUUACIJSA-N 359.426 2.387 0 40 FEAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c2ncccc12 97014021 RWXFCOAIGURVML-LBPRGKRZSA-N 360.443 2.091 0 40 FEAB O=C(CCN1C(=O)CCC1=O)NCc1ccc(Br)cc1Cl 58268135 BVMRVZFNYRJDLY-UHFFFAOYSA-N 373.634 2.258 0 40 FEAB COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086014 RLFDPEJNHPEXOW-TWTFDDHTSA-N 366.417 2.077 0 40 FEAB Cn1nc(CC(=O)Nc2ccc(N3CCCC3)nc2)c2ccccc2c1=O 24044967 RWQDZXQOCGRPDA-UHFFFAOYSA-N 363.421 2.110 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)NCCCN3CCC[C@H](C)C3)CC2=O)c1 105581231 YEDRDEYZDJTZDM-IRXDYDNUSA-N 373.497 2.286 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 24694334 PTBOYEFCOAIVJO-UHFFFAOYSA-N 361.419 2.433 0 40 FEAB CCn1nnc2cc(C(=O)Nc3ccc4[nH]nc(C(=O)OC)c4c3)ccc21 25014707 CIOMZALIUHSBLF-UHFFFAOYSA-N 364.365 2.366 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCc1nc2ccccc2s1 107552323 VHPAEZGDHXEAAN-BNBDDXAPSA-N 368.414 2.147 0 40 FEAB COc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)c1OC(C)C 43945138 AAHMKWNTJHHGOA-UHFFFAOYSA-N 354.834 2.392 0 40 FEAB Cc1ccc(OCCNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44246146 NWPDTVQSUVOWSN-UHFFFAOYSA-N 352.398 2.480 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1 101916676 NOYPKTFHVOEILH-JDEPPNLYSA-N 356.809 2.332 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)/C=C/c1cccnc1 58162465 YYJURZUWAZAAFJ-LOWQCSRCSA-N 353.422 2.405 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)c1cccc(CSc2nccn2C)c1 58281719 JPFUOQCZEDBULF-UHFFFAOYSA-N 360.483 2.263 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 24477519 LZTXIPDHKVPRPO-HNNXBMFYSA-N 354.454 2.252 0 40 FEAB COc1ccc(CCC(=O)N(C)CC(=O)Nc2cc(C)on2)cc1OC 58408783 KLNRXYLKPSUPPM-UHFFFAOYSA-N 361.398 2.030 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cnc2ccccn2c1=O 48272345 QHGWSWZEALWIKK-MRXNPFEDSA-N 366.421 2.245 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cn1 45142266 XSQJBRPMKSADGJ-KRWDZBQOSA-N 365.433 2.248 0 40 FEAB CSc1nccn1-c1cccc(C(=O)NCCNc2cnccn2)c1 48248433 DTOUFAYSLZGGAY-UHFFFAOYSA-N 354.439 2.226 0 40 FEAB CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCC[C@@H]2C)ccc1OC 36350866 FEUJYNOBYXDQMA-FROQITRMSA-N 352.456 2.018 0 40 FEAB O=C(CN1CCN(C(=O)Cc2cccc(F)c2)CC1)Nc1ccc(F)cc1 36447617 QZQNRBQVYOEZHX-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB COc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1 2459677 KSALYRHGOIGDHL-UHFFFAOYSA-N 359.363 2.131 0 40 FEAB COc1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)ccc1N1CCCC1=O 11446055 KRNBWDPDKPBGSI-LBPRGKRZSA-N 371.393 2.172 0 40 FEAB COc1ccc(-c2nc(COC(=O)[C@@H]3CCC(=O)N3)cs2)cc1OC 11699239 PVXMPTVCLKFILI-LBPRGKRZSA-N 362.407 2.149 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)no1 3587944 RGYQIQAGOZFFCC-UHFFFAOYSA-N 360.351 2.493 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1 12999777 SHZHJXMSAFQFDK-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB CN(Cc1ccccc1F)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 8502421 KMNKCQHDWRNYIV-HXUWFJFHSA-N 369.396 2.251 0 40 FEAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 14251258 RGHCFAWHMSRJJQ-LLVKDONJSA-N 352.843 2.407 0 40 FEAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NCCc1ccc(F)cc1 6560578 RCBQHKOBJWQGSN-XBXARRHUSA-N 371.364 2.470 0 40 FEAB Cc1ccnc2nc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3)nn12 14399126 FHPUKXNYMSBTJD-OAHLLOKOSA-N 367.409 2.246 0 40 FEAB COc1ccc2c(C)c(CC(=O)Nc3ncccn3)c(=O)oc2c1OC 6759444 YXIKAESFTTUYSH-UHFFFAOYSA-N 355.350 2.090 0 40 FEAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)cc(=O)[nH]1 8919721 IOJMTFKSNACVFR-UHFFFAOYSA-N 358.876 2.208 0 40 FEAB Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)S2 9238504 PSAHCCLMHRBHCL-LSDHHAIUSA-N 373.413 2.394 0 40 FEAB CN1C(=O)CC[C@H](C(=O)N[C@@H]2CCCc3occc32)[C@H]1c1cnn(C)c1 84317407 LZCAJVDBHJCKPL-HDMKZQKVSA-N 356.426 2.116 0 40 FEAB COc1ccc(CNC(=O)c2cn(-c3ccc(F)cc3)nn2)c(OC)c1 83927878 XIHPWGBRJOMCTA-UHFFFAOYSA-N 356.357 2.354 0 40 FEAB Cc1ccc(OCCC(=O)NC2CCC(N3C(=O)CCC3=O)CC2)cc1 89636939 AJYYAMNZOSOKEK-UHFFFAOYSA-N 358.438 2.340 0 40 FEAB O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1c2ccccc2C[C@@H]1O 60359837 TXJVATXBXDTPHS-DLBZAZTESA-N 353.378 2.423 0 40 FEAB CCCN1C(=O)N/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409242025 TZLMPYMDYNENIM-UXBLZVDNSA-N 355.188 2.466 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1COc2ccccc2C1 43138648 GHERMTGJJYDWNS-GOSISDBHSA-N 373.497 2.324 0 40 FEAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(Cl)sc1Cl 547874174 QIGSLJHKESFHMM-NKWVEPMBSA-N 374.267 2.213 0 40 FEAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2nnc(C3CCC3)n2C)C1 514742746 OXUNWCPMNSQLLP-KGLIPLIRSA-N 357.462 2.040 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)cc1 189822614 VAOHKZYMNYORKF-RHSMWYFYSA-N 368.499 2.052 0 40 FEAB COC(=O)c1sc(NC(=O)c2c[nH]c3c(F)cccc3c2=O)nc1C 79482321 ZEDCQEPMSWPVAA-UHFFFAOYSA-N 361.354 2.471 0 40 FEAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2cccc(NC(C)=O)c2)C1 72358767 LWKCVFFGESDJID-MRXNPFEDSA-N 368.437 2.454 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 32441108 NXCHVFFVTCLFRT-UONOGXRCSA-N 354.472 2.014 0 40 FEAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1COc2ccccc2C1 43811191 SPEQORQFIATABK-IBGZPJMESA-N 365.477 2.176 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 40120595 QDBCSVHQDFLMTQ-ZFWWWQNUSA-N 357.462 2.213 0 40 FEAB CC[C@H](NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1)C(=O)N1CCOCC1 84458636 VBLDXXKCOLFMOJ-MOPGFXCFSA-N 373.497 2.349 0 40 FEAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 85878470 OBTCIZFVUCPPKE-QGZVFWFLSA-N 365.389 2.261 0 40 FEAB biogenic Cn1cccc1C(=O)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96157871 WJRRYPJEWUCMOW-UHFFFAOYSA-N 352.438 2.075 0 40 FEAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2 96037024 MHNWEJLJRIRLFC-UHFFFAOYSA-N 354.502 2.320 0 40 FEAB O=C(Cc1cccs1)NC[C@H]1COCc2c(-c3ccoc3)nnn2C1 96199389 VSZJZEHGAKTPDW-GFCCVEGCSA-N 358.423 2.105 0 40 FEAB COc1ccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 96052381 XHVFBHSSGWWOQO-UXHICEINSA-N 357.454 2.342 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)on1 96107294 VMRYOOWLFPBSQS-APWZRJJASA-N 357.410 2.359 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)NCc1cccnc1 96205839 DXLKOGOLLSEVLE-APWZRJJASA-N 357.479 2.298 0 40 FEAB CS(=O)(=O)Cc1c(C(=O)Nc2cc3n(n2)CCCC3)oc2ccccc12 585082705 NYPYKNZXANBMDT-UHFFFAOYSA-N 373.434 2.763 0 40 FEAB COCC[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2ccnn21 247823541 DVPMNKWNLNVVEW-INIZCTEOSA-N 357.410 2.278 0 40 FEAB Cc1cc(C)n2ncc(CN3CCC[C@H](Cc4nccnc4N)C3)c2n1 257235698 GYYXKWJFRHNECA-OAHLLOKOSA-N 351.458 2.173 0 40 FEAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257199939 ABIXNZREIZUBDQ-AWEZNQCLSA-N 364.471 2.024 0 40 FEAB Cc1cc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccccn3)C2)on1 253600224 KLMRXMGHQKCUSW-QGZVFWFLSA-N 352.394 2.421 0 40 FEAB Cc1cncc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)c1 253602209 KXGFXSAAGMOLEX-VDGAXYAQSA-N 367.449 2.479 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 590672227 JRPQHDAVERXPTL-INIZCTEOSA-N 369.469 2.161 0 40 FEAB CO[C@@](C)(C(=O)O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 663045472 IDBVGEMBYDKLIL-MEBBXXQBSA-N 361.225 2.178 0 40 FEAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425709 HLUJSQBGJSEQRY-GJZGRUSLSA-N 359.513 2.280 0 40 FEAB Cc1cncc(CN2Cc3ccnn3CC[C@H]2COc2ccccn2)n1 585096775 CQDAFTLZROKGPO-SFHVURJKSA-N 350.426 2.230 0 40 FEAB C[C@H](COc1ccc(F)cc1F)NC(=O)CNC(=O)Cc1ccccc1 55697543 HAKXMDRCAKKFOB-CYBMUJFWSA-N 362.376 2.207 0 40 FEAB Cc1ccc(S(C)(=O)=O)c(NC(=O)C(=O)NC2CCCCCC2)c1 70673905 DNEWKTAVBFDNRW-UHFFFAOYSA-N 352.456 2.176 0 40 FEAB Cc1cc([C@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)no1 29245539 CUFPWDYGQZQISF-QGZVFWFLSA-N 352.394 2.447 0 40 FEAB O=C(c1ccccc1F)N1CCC(n2nnc3ccccc3c2=O)CC1 12184070 BBXMCYNOELNILK-UHFFFAOYSA-N 352.369 2.408 0 40 FEAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715703 SAVQVCFUEXLBLJ-INIZCTEOSA-N 374.478 2.302 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 14571576 VXDRUOWIKZYWKA-KRWDZBQOSA-N 357.362 2.285 0 40 FEAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCO2 15521166 MMOGHURVSXAQAJ-KRWDZBQOSA-N 355.394 2.044 0 40 FEAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCCc2ccccc21 18935293 OJDRPBPHYISKPZ-SFHVURJKSA-N 373.478 2.282 0 40 FEAB O=C(C1CCCCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19375893 UOOOVCPFKORFHX-UHFFFAOYSA-N 369.465 2.330 0 40 FEAB C[C@]1(CCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)NC(=O)NC1=O 19460302 LPYKFBXDFVCZJG-GOSISDBHSA-N 362.405 2.133 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(c2ccccc2Cl)=NO1 19661841 PBJUNMTZRWMKEQ-OAHLLOKOSA-N 373.844 2.467 0 40 FEAB O=c1[nH]cnc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc12 5491427 LQBKGNZRCVRFAG-UHFFFAOYSA-N 365.462 2.442 0 40 FEAB CO[C@@H]1CN(C(=O)CCn2ccc(C)n2)C[C@]12C[C@@H](c1ccccc1)CO2 643587390 DKFKYTMNRWUZIK-SFHLNBCPSA-N 369.465 2.382 0 40 FEAB Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1C 3440050 MGQZWESUSVYNDK-UHFFFAOYSA-N 364.471 2.006 0 40 FEAB CCOC(=O)C1=C(COC(=O)C[C@@H](C)c2ccccc2)NC(=O)N[C@@H]1C 4413034 AIAJBIFWYORFHK-CHWSQXEVSA-N 360.410 2.242 0 40 FEAB Cn1cnc(C(=O)N2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)c1 1888897354 IQZZUTBDHCINFC-IAGOWNOFSA-N 374.448 2.086 0 40 FEAB Cc1nc(CN2CC[C@@H]3CN(C(=O)C4=CC=NC(=O)C4)C[C@@H]3CC2)cs1 2056223400 JMAKPJJWAHAZJR-IYBDPMFKSA-N 372.494 2.049 0 40 FEAB Cn1c(=O)c2c(SCc3cccc(F)c3)nc(C3CC3)nc2n(C)c1=O 4139077 SIFYRSPNENGVSK-UHFFFAOYSA-N 372.425 2.336 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(C3CC3)on2)n1 12123863 PRBCEUJBGQEUEV-UHFFFAOYSA-N 366.381 2.259 0 40 FEAB CCc1nnc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)s1 13702126 MOEYANYAHQWGFT-UHFFFAOYSA-N 366.472 2.216 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)cs1 2055731801 XNYCGHXEFHIJOO-OAHLLOKOSA-N 363.483 2.228 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)cn1 2055812412 MCVVBXBZNUMTDH-IBGZPJMESA-N 370.478 2.015 0 40 FEAB Cc1nnc2ccc(N3CCN(c4ccc(-c5ccccc5)nn4)CC3)nn12 1775973995 JRKQBRMVJJENTB-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB CN(C(=O)OC(C)(C)C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1775969634 DHRGJHOZPFXCNH-UHFFFAOYSA-N 360.462 2.477 0 40 FEAB CCCc1nnsc1C(=O)NCC1CCN(CC(F)(F)F)CC1 1775966109 PTIKNBXSBXZAEB-UHFFFAOYSA-N 350.410 2.495 0 40 FEAB Cc1ccc2ncn(Cc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c2c1 40117032 YSHLYPPBSUKIBK-UHFFFAOYSA-N 357.435 2.004 0 40 FEAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20477294 VTTDXXOGGVIDDA-CHWSQXEVSA-N 359.426 2.311 0 40 FEAB C[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCc2sccc2C1 32428619 HFRWKBMMVHBKJJ-LBPRGKRZSA-N 371.462 2.256 0 40 FEAB O=C(CNC(=O)C1CCCC1)NCc1cnn(-c2ccc(F)cc2F)c1 52193479 KCIILVZTTKWMHV-UHFFFAOYSA-N 362.380 2.073 0 40 FEAB O=C(NC1=NCCS1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8392559 GTYFSWGTZJJBTQ-UHFFFAOYSA-N 351.859 2.411 0 40 FEAB C[C@H](c1ccc(F)cc1)n1cc(S(=O)(=O)N2CCCC2)ccc1=O 8389242 SILLILZDXQXAPQ-CYBMUJFWSA-N 350.415 2.381 0 40 FEAB O=C(NCc1nnc2ccccn12)c1cc(Cl)c2c(c1)OCCCO2 8325212 BBJONTHAJRLNOP-UHFFFAOYSA-N 358.785 2.474 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 8313776 BUOMPTLOGDMIEE-IBGZPJMESA-N 352.346 2.145 0 40 FEAB COc1ccc2cc(C)c3nnc(SCC(=O)N4CCOCC4)n3c2c1 928461 SJWIHXCFCNFAOE-UHFFFAOYSA-N 372.450 2.150 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@H]2C=C[C@H]1CC2 102345966 CQOMPMHRBZRFRW-OTRWWLKZSA-N 352.394 2.178 0 40 FEAB CSCCCNC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 77542614 MFPHRARLOLAVMU-INIZCTEOSA-N 355.479 2.251 0 40 FEAB O=C(c1ccc2nnc(C(F)F)n2c1)N1CCN(c2ccccn2)CC1 79106046 QBHBTEPWUBWNAU-UHFFFAOYSA-N 358.352 2.024 0 40 FEAB O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cc(Br)cs1 79251505 MQIAKAJRWSQDDJ-MRVPVSSYSA-N 350.259 2.075 0 40 FEAB NC(=S)c1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 60410377 HLDOAJSLZRASHA-UHFFFAOYSA-N 367.474 2.373 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)OCC(=O)c1ccccc1Cl 4278098 PTCNEUYDRAJZPB-UHFFFAOYSA-N 372.764 2.182 0 40 FEAB CCc1c(C)nc(N)n2c(SCC(=O)NCc3ccc(F)cc3)nnc12 4966061 YCIMWQXMKDNQQS-UHFFFAOYSA-N 374.445 2.125 0 40 FEAB Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(F)cc1 6504784 QDGQSRPXTCJMLT-UHFFFAOYSA-N 359.353 2.055 0 40 FEAB Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(N)=O)c2n1 7004919 ILKANDKIYMGCIF-UHFFFAOYSA-N 355.781 2.075 0 40 FEAB CCOC(=O)N[C@H](CNC(=O)COCc1cccc(OC)c1)CC(C)C 46786095 TUHMWOJUGQTQJZ-INIZCTEOSA-N 366.458 2.489 0 40 FEAB CCc1ccccc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 8061478 PQGACNJGEQKIFP-UHFFFAOYSA-N 357.435 2.268 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CCN(CC1CCOCC1)C2=O 108525070 JGOSBOSKOZGXLR-HXUWFJFHSA-N 360.502 2.051 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 9926977 XODUKWNSIFACGY-CYBMUJFWSA-N 371.220 2.422 0 40 FEAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974374 HIPICMGEZYWNPB-HNNXBMFYSA-N 368.499 2.321 0 40 FEAB COc1ccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)cc1 23648152 AQPOWBMMBUHNGP-UHFFFAOYSA-N 362.451 2.414 0 40 FEAB Cn1nnc(-c2cccc(-c3nn4c(C(F)(F)Cl)nnc4s3)c2)n1 61721069 FYCJONWZJDWPNS-UHFFFAOYSA-N 368.760 2.331 0 40 FEAB Cc1cc(CN(C)C(=O)Nc2cccc(Cn3cccnc3=O)c2)no1 47733944 RPTGWLKGERFURO-UHFFFAOYSA-N 353.382 2.252 0 40 FEAB CCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 24801480 HGSODYVBGUQLQM-GFCCVEGCSA-N 367.858 2.005 0 40 FEAB O=S(=O)(C[C@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 106448072 YQSUDDTVYWTAAL-HNNXBMFYSA-N 372.918 2.260 0 40 FEAB CC[C@H](NC(=O)c1ccc(N(C)C)nc1)c1ccccc1OCC(=O)NC 55574320 ONBSHQIHTKZCEK-INIZCTEOSA-N 370.453 2.154 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CC1 108455874 WJZMVVFEUOEOTO-YXUGBTPSSA-N 368.408 2.124 0 40 FEAB COc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)NC1CC1 27652439 SCQSCWWRTSPQAR-UHFFFAOYSA-N 361.423 2.092 0 40 FEAB CC(C)[C@@H](CNC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 27631401 YTMLQLRNMCVQCM-MRXNPFEDSA-N 367.453 2.076 0 40 FEAB COc1ccccc1CN(C)C(=O)Cn1c(-c2cccs2)noc1=O 58229127 UUAVFDUKHIUOTC-UHFFFAOYSA-N 359.407 2.232 0 40 FEAB CCN(C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 58293873 NSLGDHXYFRFUBF-SFHVURJKSA-N 369.465 2.396 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1 48066058 IZMQBXJGDZPVCB-JXMROGBWSA-N 355.398 2.122 0 40 FEAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)n1 58419097 ZWWOONZRXVFVBK-UHFFFAOYSA-N 364.405 2.469 0 40 FEAB CN(CCCNC(=O)c1n[nH]c(=O)c2ccccc12)Cc1ccccc1 12601724 DNLBPLUUNDSYGG-UHFFFAOYSA-N 350.422 2.175 0 40 FEAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCN(c2cnccn2)CC1 48253182 ITSHJNBBYILAMH-UHFFFAOYSA-N 368.437 2.105 0 40 FEAB Cc1ccc(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 36397199 WXVRTAVPWANIDB-UHFFFAOYSA-N 365.477 2.242 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n2ccccc2n1 28724618 DSGXUCUPFRYRMJ-OAHLLOKOSA-N 360.421 2.468 0 40 FEAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)COc3ccccc32)cc1 3340084 RDUWPMDOFRYGIP-UHFFFAOYSA-N 368.389 2.156 0 40 FEAB CCc1nnc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1 45960089 NNIXZFJCSFJHDV-UHFFFAOYSA-N 359.455 2.019 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 12891920 SMFIHSZIPFRGKN-MRXNPFEDSA-N 370.405 2.235 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 3477382 CYBTYOWGZLGKTN-UHFFFAOYSA-N 361.401 2.418 0 40 FEAB COc1cccc(NC(=O)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 12925745 SDDXLDZIRHIKJR-UHFFFAOYSA-N 370.409 2.157 0 40 FEAB COC(=O)c1sccc1NC(=O)N1CCN(c2nccs2)CC1 25124275 WBBVPDYKSOMYDH-UHFFFAOYSA-N 352.441 2.345 0 40 FEAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)cc1 13001787 VXESLBGAVGGWRV-UHFFFAOYSA-N 371.422 2.315 0 40 FEAB COc1ccc(CCNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1 4108691 QZSGHPZUEDOCDR-CQSZACIVSA-N 354.406 2.168 0 40 FEAB C[C@]1(O)CC(C(F)(F)OC(F)(F)F)=NN1S(=O)(=O)c1ccccc1 4124725 YRIAXWPQQAOECK-JTQLQIEISA-N 374.287 2.275 0 40 FEAB Cc1ccccc1CN(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 18081541 ABMFWACYYASJOV-UHFFFAOYSA-N 371.462 2.082 0 40 FEAB Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@H](C)Cn3ccnc3C)C2)n1 172130425 PWWLGJADKXMFDX-KBXCAEBGSA-N 373.505 2.158 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1OC 4308720 DUAOFCBCLOUFIR-HXPMCKFVSA-N 360.410 2.387 0 40 FEAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1 6381246 WWXXWPRILUCXAK-CYBMUJFWSA-N 371.372 2.321 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1O 8726115 RWAQZLWQJIYEGR-GFCCVEGCSA-N 357.362 2.291 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1 4550980 QPNHSOBPFBSVAQ-APWZRJJASA-N 365.433 2.378 0 40 FEAB CNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 14201635 FAIFASALYGLCEZ-UHFFFAOYSA-N 364.405 2.024 0 40 FEAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 5678392 KWYUDXUNEYEOAI-NSHDSACASA-N 359.407 2.214 0 40 FEAB CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 81322862 JSPFSDGIRNLZMY-LJQANCHMSA-N 373.497 2.390 0 40 FEAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCn1ccc2ccccc21 72402515 NBMFDZOBECLPGO-UHFFFAOYSA-N 362.389 2.274 0 40 FEAB C[C@@H](O)C[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 84637014 SRIUTSSZKUUXTL-WBVHZDCISA-N 365.433 2.067 0 40 FEAB CN(CCc1cnccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 95457550 XFOYWWGNTLAEGQ-UHFFFAOYSA-N 363.336 2.498 0 40 FEAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 95479489 ROPJAWAXLYTGDG-ZDUSSCGKSA-N 357.366 2.350 0 40 FEAB CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@@H]1c1ncon1 95995320 ZWMQERCWKSMOEE-GFCCVEGCSA-N 353.325 2.160 0 40 FEAB CO[C@@H](CNC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 74931615 CLWHSMHPVJPOEQ-KRWDZBQOSA-N 360.458 2.347 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 21348222 KXMNOVRNBFAUTK-OAQYLSRUSA-N 368.477 2.447 0 40 FEAB aggregator CCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 306135524 OTZWVDZAXPLZRG-JXFKEZNVSA-N 358.486 2.429 0 40 FEAB CCOC(=O)c1ccsc1NC(=O)Cn1cnc2sccc2c1=O 23078452 ZNTIGOHLXBWKMI-UHFFFAOYSA-N 363.420 2.335 0 40 FEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 120786367 ZFBMKTZQJPPVIQ-BBRMVZONSA-N 368.424 2.492 0 40 FEAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccc2occc(=O)c2c1 524732769 MEKIMMRPOHKURD-CQSZACIVSA-N 367.390 2.459 0 40 FEAB O=C1S[C@@H](CC(=O)N2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1 36635253 JWSVIVQPZCTWDP-HIFRSBDPSA-N 362.451 2.409 0 40 FEAB Cc1cc(C(=O)Nc2nnc(SCCN3CCOCC3)s2)c(C)o1 70635007 MEJOTCYEZVRICG-UHFFFAOYSA-N 368.484 2.425 0 40 FEAB N[C@@H]1CCC[C@@H]2CN(Cc3nc(O)c4cnn(-c5ccccc5)c4n3)C[C@H]21 566244463 XENKQMXUCZITPQ-KBRIMQKVSA-N 364.453 2.080 0 40 FEAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(Cn2ccnc2)cc1 48985505 IIBQPBHNJCRBOZ-UHFFFAOYSA-N 359.389 2.098 0 40 FEAB NC(=O)c1cn(CC(=O)Nc2cc(-c3ccncc3)[nH]n2)c2ccccc12 523775670 MSDDFXPOTRWBOZ-UHFFFAOYSA-N 360.377 2.164 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc21 225104626 CVNVRAXXDMNNGY-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB COc1ccccc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225162583 MVHKGLSQSQCMGP-INIZCTEOSA-N 363.435 2.320 0 40 FEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@@H]1C 225875778 QILYMXPTZULVLW-VIFPVBQESA-N 351.453 2.414 0 40 FEAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@@H]2O1 96043285 KMVHPQCFDNNBKV-UHOSZYNNSA-N 359.470 2.235 0 40 FEAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccsc2)C1 96057743 DNCPWKMQDCLMPN-NUEKZKHPSA-N 357.435 2.401 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108862 HEILHXBAXFWBBA-KUHUBIRLSA-N 355.394 2.115 0 40 FEAB C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 95869951 QPATYVMIHANOAN-LFKBUPSKSA-N 350.499 2.393 0 40 FEAB Cc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1 96226707 TZSCEFGDUNFSLO-KRWDZBQOSA-N 352.504 2.236 0 40 FEAB O=C(c1cccnc1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 96250858 QPBOONQEUZXVKR-ATZDWAIDSA-N 353.422 2.313 0 40 FEAB CC(=O)N1C[C@@H](NC(=O)c2cncnc2C(C)C)CC[C@@H]1C(F)(F)F 583621130 AJASHLPKUZJCNJ-WCQYABFASA-N 358.364 2.272 0 40 FEAB CNc1nc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257314183 UVRAKBQPEBWJDN-IBGZPJMESA-N 350.426 2.360 0 40 FEAB O=S(=O)(NCc1cnc([C@H]2CCCCO2)nc1)c1cccc(F)c1 257301360 RYDKXZJGGYRJOB-OAHLLOKOSA-N 351.403 2.336 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2ccncn2)C1 257213948 CJUSJILOBNNBSV-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cnco3)CC2)C[C@@H]1Cc1ccccc1 257337878 YUWCJCOJHYFSIW-INIZCTEOSA-N 353.422 2.370 0 40 FEAB O=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2cnccc2n1 617109752 XFTXVMSWWLCDKG-UHFFFAOYSA-N 354.454 2.251 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cnn1-c1ccccc1 390826018 ZUJYKBVVZZBVOK-MRXNPFEDSA-N 367.384 2.403 0 40 FEAB Cn1c(NC(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)nnc1C1CC1 585113393 ZDXFYESRJGBKKR-UHFFFAOYSA-N 355.398 2.201 0 40 FEAB C[C@H](C(=O)NCc1ccnc(N2CCCCC2)c1)n1nnnc1C(C)(C)C 679173913 RHXIBAWIDKFLIF-CQSZACIVSA-N 371.489 2.233 0 40 FEAB CCN(CC(C)(C)O)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 81972731 DXSJUZXVNJDUGD-HNNXBMFYSA-N 350.434 2.297 0 40 FEAB O=C(Cc1cccs1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156484 KSWMJGUIRGWRNH-IBGZPJMESA-N 374.437 2.464 0 40 FEAB COCCOCCOCCOCCCCCCCCP(=O)(O)O 606235251 JNQSHEHZCLMYKY-UHFFFAOYSA-N 356.396 2.201 0 40 FEAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1Cl 5257347 HLRZJEMRQWHHTH-UHFFFAOYSA-N 366.859 2.500 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)Cc3ccncc3)CC2)Nc2ccccc21 12086128 PDEBPRHLWRHQKM-UHFFFAOYSA-N 364.449 2.464 0 40 FEAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cccc4ncccc34)C[C@H]21 12120031 PKQRLFXNCDZDOU-DYVFJYSZSA-N 360.417 2.429 0 40 FEAB CCc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)on1 12222261 ZAAGHSIHSROSJY-UHFFFAOYSA-N 354.410 2.254 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)c3cnccn3)nn2c1O 12276355 DFXGQRSRVXLZGL-OAHLLOKOSA-N 352.398 2.073 0 40 FEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3C[C@H](C)C[C@@H](C)C3)N2)cc1 12407204 DKBFSGDYULSANX-CKEIUWERSA-N 372.469 2.246 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 13008785 DBIMHJPQTVMTSH-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB Cn1c(=O)n(CCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 14731648 UNCFATCXXQJYFD-UHFFFAOYSA-N 353.378 2.140 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16042794 IIFGUEPMHCFGAV-UONOGXRCSA-N 367.405 2.271 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccccn3)CC2)c1C 16638141 WOOMPTOZKDDGKN-UHFFFAOYSA-N 356.426 2.166 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 19564251 BKRCRIFNGFRGGR-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2nc(C)c(C)s2)nc1N 4093469 FMNRIZRBSYZAJO-UHFFFAOYSA-N 367.456 2.040 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 3563728 HAHVCUWLLKVXKZ-BTDLBPIBSA-N 351.353 2.404 0 40 FEAB CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)CC[C@]12CCCO2 257228230 FSXPFPJUROKFTR-UYAOXDASSA-N 372.469 2.090 0 40 FEAB CN(C)c1cccc(C(=O)NCC2(N3CCSCC3)CCOCC2)c1 1888844341 KBXGTYVTZACGMN-UHFFFAOYSA-N 363.527 2.080 0 40 FEAB CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1 17334453 GLPCAFIKBFCAAT-UHFFFAOYSA-N 351.200 2.431 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(Cn2ccnc2C)C1 1848741560 QHHLDTLXZWDBCI-UHFFFAOYSA-N 355.847 2.174 0 40 FEAB Clc1cnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)nc1 2086968369 QBSZLAUWCRWLQK-UHFFFAOYSA-N 353.817 2.309 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)c(OC)c1 1565547587 LTQYAKOICLXCMJ-BEFAXECRSA-N 362.470 2.275 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(CC(=O)NCc3cccs3)C2)o1 1565554180 LNPCRFPLXKPIME-KUHUBIRLSA-N 374.462 2.445 0 40 FEAB Cc1ccnc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 4273362 OWTDJFDLZQNNKI-ZDUSSCGKSA-N 368.393 2.088 0 40 FEAB O=c1c(=O)n2c(nn1Cc1ccccc1Cl)N(c1ccccc1)CC2 8848819 ZJGWNUXPYHWYDL-UHFFFAOYSA-N 354.797 2.258 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N(CCO)Cc2ccc(OC)cc2)c1 1636681383 IGKXEXDMNOGOSG-UHFFFAOYSA-N 370.405 2.160 0 40 FEAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(F)cc1 4313443 IZYHMHLLVLEZQB-UHFFFAOYSA-N 366.312 2.434 0 40 FEAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)Nc3ccccc3Cl)ccc21 96362916 BPYAGTQCGYMSIA-QGZVFWFLSA-N 373.840 2.121 0 40 FEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccnc(Cl)c1 32708749 LDRWCPREIZZRLI-UHFFFAOYSA-N 359.813 2.389 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2C=C[C@H]1CC2 102342443 DNEIWPBFXZVYKF-MUGJNUQGSA-N 368.477 2.286 0 40 FEAB CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 79071536 FBRCZPKRAVEQPC-HXUWFJFHSA-N 371.481 2.071 0 40 FEAB Cc1ccccc1N1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 32863555 RRCSOQNAOPONHD-IBGZPJMESA-N 374.529 2.183 0 40 FEAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6583485 ZVUNJEJWEDOIQH-UHFFFAOYSA-N 369.377 2.439 0 40 FEAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O 6648260 UYFCPPLTRWPBSX-ZROIWOOFSA-N 364.423 2.353 0 40 FEAB CCn1c2ccccc2c2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc21 8272218 RXPZAPUTHHGAFW-UHFFFAOYSA-N 362.389 2.303 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccnc3-n3cccn3)cnc12 23177170 ZJFPQHHXZZTYPE-UHFFFAOYSA-N 374.404 2.314 0 40 FEAB COc1ccc(NC(=O)NC(=O)CSC(=S)N2CCCC2)cc1 23497093 CPHONZFUROOGDT-UHFFFAOYSA-N 353.469 2.457 0 40 FEAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1 12554577 LIIGKRYANIHYOE-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 105936514 LIBKLFXUVLZYHN-NVXWUHKLSA-N 352.500 2.328 0 40 FEAB CCOC(=O)c1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)on1 43220531 WRMOPCAPINIZMD-UHFFFAOYSA-N 353.419 2.340 0 40 FEAB COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1 1466746 JPBNAHCNQXLIJP-HNNXBMFYSA-N 362.451 2.465 0 40 FEAB CN1CCN(c2ccc(Cn3c(=S)[nH]c4ccccc4c3=O)cn2)CC1 12545541 BICBZNUBKNFDCA-UHFFFAOYSA-N 367.478 2.254 0 40 FEAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ncccn2)CC1 57413373 ZZTABPPOKMECCH-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB C[C@@H]1CCCN(C(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)C1 57948719 KRILHRMPQWBELI-OAHLLOKOSA-N 358.486 2.446 0 40 FEAB CNC(=O)CN1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 58200924 FOVQZYOFCKDHTI-UHFFFAOYSA-N 372.296 2.206 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCn1nc(-c2ccc(F)cc2)oc1=O 26481568 JHFUNVKRLFMAKF-UHFFFAOYSA-N 367.336 2.329 0 40 FEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccnc(Cl)c2)C1=O 28010935 XPAINHNAZOKXSW-GOSISDBHSA-N 372.812 2.323 0 40 FEAB Cn1nc(C(=O)Oc2cc(=O)n(C)c3ccccc23)c2ccccc2c1=O 3342893 SHBGYKNAVUUVRE-UHFFFAOYSA-N 361.357 2.005 0 40 FEAB C[C@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 12761827 IYLIAPDVVAWFHG-YVEFUNNKSA-N 373.840 2.270 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408708507 JEGGBVRPTZPWGO-UHFFFAOYSA-N 353.422 2.390 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 12889024 AUVZMQOPUIVCFP-BRWVUGGUSA-N 361.486 2.198 0 40 FEAB NS(=O)(=O)c1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 62512841 ATOATJJPIBDEHA-UHFFFAOYSA-N 364.442 2.155 0 40 FEAB CCOC(=O)N1CCN(C(=S)Nc2ccsc2C(=O)OC)CC1 3906982 QOAFDNUHJAHCMR-UHFFFAOYSA-N 357.457 2.006 0 40 FEAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br 4017095 JYPVYTCBHXKNEV-ZDUSSCGKSA-N 369.215 2.267 0 40 FEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C 4386562 QMDVKDJWIAQAAZ-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1OCC 14251411 LWHHOLDKAKNMMJ-UHFFFAOYSA-N 356.488 2.199 0 40 FEAB CN1C(=O)C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C1=O 14238598 ALJQITGTFVPDFR-HNNXBMFYSA-N 355.419 2.074 0 40 FEAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14849007 TZTHRKXLIGQLTP-UHFFFAOYSA-N 373.478 2.362 0 40 FEAB COc1cccc(CNC(=O)c2nn(-c3ccccc3Cl)nc2CO)c1 8613471 KRQBMTRQVPHGAZ-UHFFFAOYSA-N 372.812 2.352 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 7305495 HXWFJIQWJFSXMO-UHFFFAOYSA-N 361.419 2.481 0 40 FEAB O=C(NCc1nnc2ccccn12)[C@@H]1CCCN1Cc1ccc(F)cc1 80494211 OCXXHDFPNAPDTN-INIZCTEOSA-N 353.401 2.149 0 40 FEAB COc1ccc(NC(=O)Cn2cc(Br)ccc2=O)c(OC)c1 8984083 PFFJCTRAUVQYRI-UHFFFAOYSA-N 367.199 2.267 0 40 FEAB Cc1cc(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)no1 97402475 ZYIRODCESWPAGW-UHFFFAOYSA-N 372.473 2.051 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12 95349483 LKFFCHPYOQTNIA-KRWDZBQOSA-N 365.389 2.042 0 40 FEAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)c1ccco1 67890066 IGMJHSFTWVJWNI-KDOFPFPSSA-N 373.453 2.487 0 40 FEAB biogenic,in-vitro O=C(COc1ccc2c(c1)CCC2)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 95426537 GLXSFGTXXUVDIC-RTWAWAEBSA-N 372.509 2.438 0 40 FEAB Cc1cc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)ccc1F 26054514 HXLOMGQCRQMEOB-UHFFFAOYSA-N 350.415 2.031 0 40 FEAB Cc1csc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)n1 75572161 WMUBXHPNSVNLOF-CSKARUKUSA-N 365.480 2.048 0 40 FEAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4Cl)CC3)ncnc12 28557301 JXGCEXSISKZZPG-UHFFFAOYSA-N 370.844 2.288 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 306133170 MDXRJXKNBJHOKB-QGZVFWFLSA-N 359.470 2.255 0 40 FEAB CC1CCN(C(=O)c2ccn(Cn3cc(Br)cn3)n2)CC1 32611225 KUVFZVDEEMLGNK-UHFFFAOYSA-N 352.236 2.220 0 40 FEAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC(Cn2ccnn2)CC1 128602180 GACRKPUNEGARGP-UHFFFAOYSA-N 368.485 2.369 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(-n2[nH]nnc2=N)c1 1542571149 FHZHXSXKLITIKG-HNNXBMFYSA-N 366.425 2.420 0 40 FEAB C[C@@]1(C(=O)NCc2ccccc2NS(C)(=O)=O)CC1(Cl)Cl 36392289 UIIWGJIRFZLXTA-LBPRGKRZSA-N 351.255 2.258 0 40 FEAB CC(C)(C)c1csc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)n1 71285277 DAFMVYPDXAWUMG-UHFFFAOYSA-N 350.444 2.448 0 40 FEAB COC(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)cc1 217730312 GSZUINIAZGJMKY-UHFFFAOYSA-N 359.334 2.198 0 40 FEAB C[C@@H]1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 72520240 ZYLDDRVNHYLXFR-HUUCEWRRSA-N 351.878 2.098 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)NC[C@H]1CCN(C)C(=O)C1)C2 565476233 WKXGWYILGIPCAP-AWEZNQCLSA-N 357.454 2.120 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cc(F)c(F)c(O)c3F)CC2)no1 184914069 XPWIFXANWJTZKT-UHFFFAOYSA-N 355.316 2.064 0 40 FEAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(C)c(Cl)c2)c1=O 222668002 FXOCVSYCMSHYMI-UHFFFAOYSA-N 365.817 2.028 0 40 FEAB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1C 224073860 VAPRBNQGMPLGNS-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB COc1cc(N2CCOCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957162 QSIBCASPZMKYFJ-ZDUSSCGKSA-N 373.482 2.369 0 40 FEAB CCn1c(=O)sc2cc(S(=O)(=O)N(C)[C@@H]3CCCC[C@H]3O)ccc21 225696417 VPRCUIXNORAPNS-TZMCWYRMSA-N 370.496 2.007 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 223271968 CFCAACDNLVHVFP-UHFFFAOYSA-N 362.407 2.257 0 40 FEAB COC(=O)C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 48235431 OIDOOPHCWCCLQX-UHFFFAOYSA-N 364.829 2.492 0 40 FEAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 45866005 PLDQMVJPONDZKE-GFCCVEGCSA-N 351.449 2.230 0 40 FEAB COc1cccc(NC(=O)CCc2nc(CSc3nc(C)n[nH]3)no2)c1 95481940 QAGKRPIFLUTYKF-UHFFFAOYSA-N 374.426 2.368 0 40 FEAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 96042719 MWSUBNRODVMWIK-XUVXKRRUSA-N 358.482 2.209 0 40 FEAB Fc1cnc(N[C@H]2CO[C@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048530 OBMSIIRJZUVDBG-SJLPKXTDSA-N 350.438 2.078 0 40 FEAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(c1ncc(F)cn1)CC2 96086805 IOZGICAQFILVDZ-UHFFFAOYSA-N 372.448 2.138 0 40 FEAB Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCCC1 95477368 PIHOFIOCACBHIA-UHFFFAOYSA-N 353.466 2.245 0 40 FEAB Cc1noc(C)c1CN1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 252008924 QPZSSAQDPAINOH-QGZVFWFLSA-N 371.466 2.423 0 40 FEAB COCC(=O)N1CCC[C@@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257272198 NBKSIXWDZIFBEZ-AWEZNQCLSA-N 369.421 2.269 0 40 FEAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 630654247 AGGIRKOHVBBNTP-ZWKOTPCHSA-N 355.438 2.215 0 40 FEAB O=C1C[C@H](c2ccccc2)N(C(=O)Cc2ccc3c(c2)CCO3)CCN1 298918504 BOXUBEVLUPYYRA-GOSISDBHSA-N 350.418 2.254 0 40 FEAB Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@@H]23)cs1 575402576 BXNUJNQTPDTDDI-LHJKUJPLSA-N 350.484 2.488 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CC4)C[C@@H]23)s1 585106171 UQWMPHWGWQVAGZ-CVEARBPZSA-N 373.522 2.119 0 40 FEAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccncc3)C[C@H]12)C1CC(O)C1 585109849 ZZZDLVWCSOUUOD-ORMRTKFESA-N 363.461 2.239 0 40 FEAB Cc1cccc(Nc2nccnc2[C@H]2CCCN(C(=O)c3cnc[nH]3)C2)n1 585182515 ZUMGIUOUEOVHAJ-AWEZNQCLSA-N 363.425 2.667 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)[nH]2)CC1 685941771 IHMPDYXXZQEAEQ-IRXDYDNUSA-N 358.486 2.393 0 40 FEAB O=C(N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1)c1ccc(C2CCC2)cc1 685940867 YBARRILYSSCWMG-BBWFWOEESA-N 354.410 2.380 0 40 FEAB O=C(CN1CCC(COCc2ccc(Cl)cc2)CC1)N1CCOCC1 75156580 WFBLABXRLZVDIA-UHFFFAOYSA-N 366.889 2.427 0 40 FEAB CCCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 5952326 JLNZYSBRVULFAK-UHFFFAOYSA-N 361.456 2.197 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12408279 NYIDSBWWFVVTDI-CVEARBPZSA-N 355.438 2.315 0 40 FEAB COc1ccccc1CNC(=O)CSc1nc(Cl)nc2nc[nH]c12 13570804 RDBIHBBELQVYQV-UHFFFAOYSA-N 363.830 2.423 0 40 FEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCc3ccccc3C2)c1 14139167 ACCPUPQSEYGZKY-UHFFFAOYSA-N 358.463 2.492 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022088 DQHVGKHKMKJZNQ-VJRXPSPPSA-N 373.428 2.001 0 40 FEAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19375764 GKFWUQQKCZBVIT-ZIAGYGMSSA-N 352.438 2.280 0 40 FEAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)Cc1ccccc1 19696483 VZKQRIZNQNUPLZ-UHFFFAOYSA-N 374.444 2.405 0 40 FEAB CN(C)c1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1 19878605 WMUVSGBCOCOYCQ-CQSZACIVSA-N 371.418 2.270 0 40 FEAB COc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1 1353857 XGKXKLVQEGSDQA-UHFFFAOYSA-N 369.450 2.139 0 40 FEAB O=C(N1CCOCC1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889138899 FRWZBVDLNYLQLA-OCCSQVGLSA-N 370.375 2.063 0 40 FEAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2=CCCCC2)CC1 2055746423 CDGZVEZHTDBJON-UHFFFAOYSA-N 373.501 2.172 0 40 FEAB CCC(CC)CN1CCN(C(=O)C(C)C)C[C@@]2(CC(=O)N(CC)C2)C1 2055796030 NDMZUTBYOPTSEZ-FQEVSTJZSA-N 351.535 2.461 0 40 FEAB COc1cc(C)n(CCNC(=O)c2cc(-c3ccccc3)on2)c(=O)c1 225614905 SDVGPIYHNHSBQU-UHFFFAOYSA-N 353.378 2.250 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9036312 CSMZELNQFCVRFF-CQSZACIVSA-N 362.426 2.466 0 40 FEAB COc1ccc(C[C@@](C)(O)CNC(=O)COc2ccccc2OC)cc1 75155554 WYCBLYPCQCBRSG-HXUWFJFHSA-N 359.422 2.193 0 40 FEAB COc1ccsc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20445429 XAXRJSVSHCLQLP-UHFFFAOYSA-N 360.435 2.443 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1OC(F)F 46267578 YMIYBZAOFVTEHY-GFCCVEGCSA-N 368.380 2.266 0 40 FEAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCc2ccccc21 1353673 YKJBSAWCHZHYPD-UHFFFAOYSA-N 355.398 2.483 0 40 FEAB CCCNC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 32971866 RWBWQZDJUAQRLK-INIZCTEOSA-N 367.449 2.177 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1 32916023 HPKDNMRXNYTSSR-ZDUSSCGKSA-N 356.426 2.261 0 40 FEAB Cc1cccn2c(=O)nc(SCC(=O)N3CCCc4ccccc43)nc12 4504001 CICADNXEUZQLDU-UHFFFAOYSA-N 366.446 2.469 0 40 FEAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 6402459 SVDIYMRERLQLJQ-OWSLCNJRSA-N 352.390 2.489 0 40 FEAB Cc1ccn2cc(C(=O)NCCCS(=O)(=O)Cc3ccccc3)nc2c1 52824644 BPGOXUBCWVLEFJ-UHFFFAOYSA-N 371.462 2.378 0 40 FEAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)[C@@H](C)n3ccnc3)CC2)c1 52899844 DRRLXINHDYGMJG-RBUKOAKNSA-N 369.513 2.470 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 102957301 GOQKTRCRRQDRHQ-ULQDDVLXSA-N 362.495 2.214 0 40 FEAB O=C1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2N1 22064429 YOYBXFOUBQXCJO-LBPRGKRZSA-N 353.353 2.164 0 40 FEAB CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 597119 QMLVECGLEOSESV-VXGBXAGGSA-N 357.385 2.066 0 40 FEAB in-vitro CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3F)ccc(=O)n1C2 8300310 NWEDRBQSYFSWGA-QWHCGFSZSA-N 362.426 2.033 0 40 FEAB biogenic,in-vitro Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(F)c(F)c1F 22372477 HSTABHVCRNNLSE-UHFFFAOYSA-N 374.340 2.208 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)c1ccccc1 22958763 IGUPCFHQOZMABJ-SFHVURJKSA-N 358.463 2.426 0 40 FEAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCc4ccccc4C3)n21 47274474 IMHJBFNBYRGDPN-UHFFFAOYSA-N 359.433 2.448 0 40 FEAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(c2ncccn2)CC1 12534301 VSXKYHQZQKWVJL-UHFFFAOYSA-N 366.450 2.287 0 40 FEAB COC(=O)c1sccc1NC(=O)Cn1cccc(C(F)(F)F)c1=O 25233522 REOUTKCLSZFSJZ-UHFFFAOYSA-N 360.313 2.354 0 40 FEAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[C@H]2CC[C@H]1C2 107333559 LKUXCSJDFMFEKQ-OBJOEFQTSA-N 351.424 2.089 0 40 FEAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1O 3294081 STVUGAJZWGIRKD-UHFFFAOYSA-N 370.405 2.333 0 40 FEAB COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 102977460 XGYZDZNXCXHGBV-CLMCDVRKSA-N 366.461 2.481 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 21707516 PYPYTLRTCBQCIQ-CQSZACIVSA-N 374.462 2.294 0 40 FEAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)N(C)c3ccccc3)C2=O)c(C)o1 58181767 AIGHQHWLHGOUJJ-LJQANCHMSA-N 355.394 2.326 0 40 FEAB CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 3342008 NOKIKNOQQSCNQT-UHFFFAOYSA-N 354.453 2.088 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCN(c2ccc3nccnc3n2)CC1 58222684 XJHHREQVELXUTI-UHFFFAOYSA-N 351.385 2.055 0 40 FEAB COCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 2194870 PLTRDCDUCSPIMS-UHFFFAOYSA-N 371.824 2.480 0 40 FEAB Cc1cc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)sc1C(=O)O 58368323 YTJKQSMABNAUOD-NSHDSACASA-N 355.437 2.331 0 40 FEAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(C)c2)CN=3)cc1 2263105 XKKNXMNZSYJNIC-WQRHYEAKSA-N 365.458 2.110 0 40 FEAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 4279273 CJWNRZVRQCFWAU-HNLJFRNMSA-N 363.410 2.330 0 40 FEAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)N1CCOCC1 8735101 QFQIAZWMBSDCDB-GFCCVEGCSA-N 359.451 2.071 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1cccc(Br)c1 5293320 WZSUWSCNRHJSGQ-UHFFFAOYSA-N 351.200 2.496 0 40 FEAB Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[nH]c1=O 4457809 QXDGJGJXAMCANQ-UHFFFAOYSA-N 359.436 2.328 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CS(C)(=O)=O)cc1 14117068 MDSPMDLNHDMSNX-UHFFFAOYSA-N 361.419 2.232 0 40 FEAB COc1cc(CC(=O)OCC(=O)N2CCC[C@H](C)C2)cc(OC)c1OC 5475673 AQYPXWFLMNNVBG-ZDUSSCGKSA-N 365.426 2.057 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)[C@@H]1C 6649262 YYWJXXIGAWLFNH-JMSVASOKSA-N 357.410 2.021 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 66377137 JOHHGEPZDVDQOY-GFCCVEGCSA-N 357.439 2.301 0 40 FEAB O=C(CC1CCOCC1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005048 MONXUVXMRZOXDW-KRWDZBQOSA-N 366.483 2.236 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ncc(-c2ccccc2)o1 5874793 JNHCAMYGOPTPPP-UHFFFAOYSA-N 369.377 2.249 0 40 FEAB O=c1c2ccccc2n2c(SCCO)nnc2n1Cc1ccccc1 6979617 PYINBWQXYZVCJY-UHFFFAOYSA-N 352.419 2.177 0 40 FEAB COc1ccccc1CC(=O)OCC(=O)Nc1ccc(OC)c(OC)c1 7035274 PRXLBMZROVBTLF-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)nc2ccccc21 9157084 NALRJRMMLILDJY-LJQANCHMSA-N 369.425 2.105 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)Nc1ccccc1F 7975145 VSELAUBGCSABTL-LLVKDONJSA-N 352.387 2.318 0 40 FEAB COc1ccc(OC[C@@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 24098467 FMPUOCAXPACOPC-AWEZNQCLSA-N 362.426 2.032 0 40 FEAB C/C(NN1CCCCCC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9319255 FEDPSLICFOUGTJ-JQIJEIRASA-N 356.426 2.232 0 40 FEAB Cc1nc2cc(NC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)ccc2o1 8280588 UPCJCOLGVQAPPY-UHFFFAOYSA-N 364.361 2.168 0 40 FEAB COC(=O)CCc1nnc(NCc2cc(OC)c(OC)c(OC)c2)s1 95990297 YRHHWZZZVIJPRF-UHFFFAOYSA-N 367.427 2.282 0 40 FEAB COc1ncccc1C(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1 95998204 AOYVDMHZMFZVIO-HNNXBMFYSA-N 363.421 2.017 0 40 FEAB O=C(NCCC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O)OCC(F)(F)F 75108925 DCTPSNMRTUBKIT-RYUDHWBXSA-N 364.364 2.415 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O 20013286 ZTZHNLAVAAGWDN-AWEZNQCLSA-N 368.499 2.467 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30756684 OBQJIJOTYGMMHW-HZMBPMFUSA-N 360.863 2.172 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1nc2ccccc2[nH]1 513956370 ZSNBWCBIYQMYMY-HNNXBMFYSA-N 350.382 2.438 0 40 FEAB CCOc1ccc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 36385417 CFZVEZBOYWPCSO-UHFFFAOYSA-N 366.421 2.392 0 40 FEAB Cc1cc(CNC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc(C)n1 564557818 XUUZZKTZEZPJJR-INIZCTEOSA-N 370.457 2.157 0 40 FEAB Cc1nnc2c(=O)n(CC(=O)Nc3cccc(F)c3)c3ccccc3n12 64871420 PIFUTRDTUJOTMG-UHFFFAOYSA-N 351.341 2.130 0 40 FEAB CCN1CC[C@H]2OCCN(C(=O)c3cn(-c4cccc(F)c4)nc3C)[C@H]2C1 567586554 XHMHWTBYMDQNOA-RBUKOAKNSA-N 372.444 2.255 0 40 FEAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(SC)cc1 72408092 MGJSSQWPDSBCNV-OAHLLOKOSA-N 360.439 2.479 0 40 FEAB O=C(N1CCOCC1)N1CCC(c2ncncc2-c2ccncc2)CC1 72334732 KJBVPMLXXFRKRM-UHFFFAOYSA-N 353.426 2.170 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1cccc(F)c1 224147769 HRAOWPMAVJNOQG-UHFFFAOYSA-N 360.393 2.162 0 40 FEAB O=C(CCC(=O)N1CCC(O)(C(F)F)CC1)c1ccc2c(c1)OCCO2 332018737 LMRNZDKLWPCYFQ-UHFFFAOYSA-N 369.364 2.039 0 40 FEAB COc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccccc1 96100845 LEYQAVKIAYQOPE-UHFFFAOYSA-N 356.407 2.323 0 40 FEAB COc1cccc([C@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc3O2)c1 531749442 HQQURSRKXHAICI-YOEHRIQHSA-N 357.362 2.167 0 40 FEAB Cn1cc(CN2CCC(F)(F)[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 96239779 MTVPJBXABKLUOA-INIZCTEOSA-N 366.391 2.087 0 40 FEAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(C(C)C)c2ccccc23)cn1 96144464 KLVRFZQKDAVGRA-CTNGQTDRSA-N 366.465 2.357 0 40 FEAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2cccn2C)CC3)c1 96051712 PTNRYITXVMRXAO-QGZVFWFLSA-N 354.454 2.178 0 40 FEAB COc1cccc([C@@H]2CN(C(=O)Cn3nc(C)c(C)c3C)C[C@H]2C(=O)O)c1 91930967 ZFSJNOHIQNXCGW-ZWKOTPCHSA-N 371.437 2.144 0 40 FEAB COc1cc(N2CC3(C[C@@H](OCc4cncc(C)c4)CCO3)C2)ncn1 247943883 VUSQARDFXDHERV-INIZCTEOSA-N 356.426 2.143 0 40 FEAB Cc1nc(C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc(C(N)=O)n1 257333209 YAQLRLVIOXYOLE-HNNXBMFYSA-N 370.428 2.047 0 40 FEAB CNc1cc(CC[C@@H]2CN(C(=O)c3ccc(OC)nc3)CCO2)ccn1 257228035 FSAKOIYTXGJDMF-MRXNPFEDSA-N 356.426 2.001 0 40 FEAB Cn1ccnc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 257256059 KJXXBHAUGQRYGR-AWEZNQCLSA-N 350.430 2.123 0 40 FEAB CCc1cc(N2CCC(C3(NC(=O)Cc4ccon4)CC3)CC2)nc(C)n1 1775991126 INOULNLPYRAXCW-UHFFFAOYSA-N 369.469 2.443 0 40 FEAB COc1ccc(CCNC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36594842 NPSJNORJEZZMDX-QGZVFWFLSA-N 367.405 2.144 0 40 FEAB biogenic C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2nc[nH]n2)CC1 639733387 NZKQQJIAZOOBPL-SNVBAGLBSA-N 369.256 2.261 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)CC12CC=CC2 645508280 JNYUKGHGIRFHOG-ATLSCFEFSA-N 361.486 2.199 0 40 FEAB CNC(=O)c1ccc(CS(=O)(=O)N2CCCc3ccc(OC)cc32)cc1 585094140 HYYQWEFRCHAXEN-UHFFFAOYSA-N 374.462 2.337 0 40 FEAB O=C(Nc1cccc(Cc2nn[nH]n2)c1)c1ccc2c(c1)OC(F)(F)O2 1642176348 AFTFLBFJVRZICM-UHFFFAOYSA-N 359.292 2.364 0 40 FEAB Cc1nc2sc3c(c2c2nn(CC(=O)NC(C)C)c(=O)n12)CC[C@H](C)C3 12132326 XDGOUOMZUMEYIF-JTQLQIEISA-N 373.482 2.064 0 40 FEAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146618 VGUQQDDWEKHDTP-UHFFFAOYSA-N 374.784 2.386 0 40 FEAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2ccn(C)n2)c(C)n1 12365975 KTQZORAOYMMXQG-HNNXBMFYSA-N 351.476 2.251 0 40 FEAB COc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)O)c(OC)c1 13084224 GXNZEOVMKGINLM-UHFFFAOYSA-N 361.350 2.428 0 40 FEAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C)CC(=O)NC(C)(C)C 16420567 CKYSKMBEPOLDOX-AWEZNQCLSA-N 351.516 2.430 0 40 FEAB COc1cc(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC 19285201 HYARLXJZWVTECV-AWEZNQCLSA-N 359.426 2.094 0 40 FEAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2N1 19575018 CPRNZYKCZGNYNP-BXKDBHETSA-N 366.409 2.330 0 40 FEAB CC(C)c1ccc(OCCNC(=O)[C@@H]2CN(c3ncccn3)CCO2)cc1 19747256 ZNHCSIDJBXMTRL-SFHVURJKSA-N 370.453 2.000 0 40 FEAB COc1ccc(C(=O)NC2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)cc1 35291844 CHDDZEPFJCPRAP-INIZCTEOSA-N 373.497 2.148 0 40 FEAB Cc1csc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)c1 19124609 WKKPJMWYNPDPOE-UHFFFAOYSA-N 358.467 2.318 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)n1 19238065 VWZNWRPAPFQYBA-MRXNPFEDSA-N 365.437 2.224 0 40 FEAB CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)Cc2cccc(C)c2)n1 19760407 QOLXSNNLTHSQOZ-KRWDZBQOSA-N 353.470 2.452 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888834353 PNAHVVIXJUMYSQ-OBJOEFQTSA-N 355.360 2.174 0 40 FEAB CCc1nc(N2C[C@H]3CN(C(=O)[C@@H]4CC=CCC4)C[C@H]3C2)nc(O)c1F 1888850426 PHKCGHYNCUWOEV-MCIONIFRSA-N 360.433 2.135 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)nc1 1888869560 WOWGLUUGDPAUSI-INIZCTEOSA-N 372.473 2.163 0 40 FEAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888897385 XPHPCBIRMISXDH-IRXDYDNUSA-N 374.448 2.086 0 40 FEAB Cn1ccnc(N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)c1=O 1889089307 JWNIDZUMAJGMIN-NSHDSACASA-N 354.332 2.099 0 40 FEAB CC(C)(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 32381203 SDXHCPVIGLNTJE-INIZCTEOSA-N 367.515 2.196 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)cn23)n(C)c1=O 4250576 JWIOWXLBXIFCKG-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccccc1F 9844450 SDYNFTGFYRTQQX-UHFFFAOYSA-N 373.409 2.028 0 40 FEAB CCC(CC)CN1CC[C@H]2C[C@H](C(=O)NCc3cnc(C)cn3)O[C@@H]2C1 2055731534 AZJCCHQUWJBUGH-QXAKKESOSA-N 360.502 2.317 0 40 FEAB O=C1CCCN1c1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccn1 575620106 QBWVYWGISBBHFK-FMIVXFBMSA-N 357.435 2.299 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](C)(O)Cc1ccco1 206621559 IUSLHWHWCOCMQT-QGZVFWFLSA-N 350.802 2.290 0 40 FEAB CN(C)CCCNn1cnc2c([nH]c3ccc(Br)cc32)c1=O 2322087 OAMKBOAWEYQBRN-UHFFFAOYSA-N 364.247 2.136 0 40 FEAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc2n(c1=O)CCS2 20758619 ACSXMXYDCFUEAC-HNNXBMFYSA-N 354.435 2.113 0 40 FEAB biogenic CC(C)(C)NC(=O)CN1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 40030780 ULZPUFYIXZHHSR-UHFFFAOYSA-N 353.413 2.027 0 40 FEAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1cc(F)ccc1F 40091040 VSVOIQBMKMXHJF-NSHDSACASA-N 358.348 2.092 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1 40093784 UUTNRTKOPJBRPS-CYBMUJFWSA-N 353.440 2.053 0 40 FEAB Cc1n[nH]c(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c1Br 40156465 XMHRCILMTKZULY-UHFFFAOYSA-N 365.231 2.112 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)CCNC(=O)c3ccoc3)cn2)C[C@H](C)O1 40142657 FWXGWKDKUAPGKU-KBPBESRZSA-N 372.425 2.047 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(C(=O)O)cc1 100216097 OIROBBRJWJTYBR-JKOKRWQUSA-N 371.422 2.239 0 40 FEAB CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 31212776 JAFJEXFXGOATAG-KRWDZBQOSA-N 367.449 2.487 0 40 FEAB COC(=O)c1sccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 100783755 OMIFHJHJQBHXQA-GHMZBOCLSA-N 364.423 2.039 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 31814156 QKGRYPMDGCFBSN-UHFFFAOYSA-N 366.339 2.429 0 40 FEAB Cc1n[nH]c(CN2CCN([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)n1 76017739 KSYUQVKUVLLEPZ-HNNXBMFYSA-N 370.501 2.381 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(F)c1 32728680 HQOXOWXRQVSNRW-QGZVFWFLSA-N 364.442 2.262 0 40 FEAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849269 YHVBNQWHRWQUTK-UHFFFAOYSA-N 370.434 2.213 0 40 FEAB COc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1 4945706 XFVJIDDEABBVQS-UHFFFAOYSA-N 363.420 2.430 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)n1 6593908 QQQNRUFAFJFYSP-NSHDSACASA-N 362.459 2.387 0 40 FEAB COc1cc(OC)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 6698918 LFYUHFAKNDSODW-OAACRXHESA-N 355.774 2.174 0 40 FEAB COc1nc2nonc2nc1Nc1ccc(I)cc1 107853662 GQGZHILMORGXQY-UHFFFAOYSA-N 369.122 2.370 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 12196532 SAUHPDPXDQXEQE-OAHLLOKOSA-N 366.414 2.136 0 40 FEAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)s1 8474343 KIHJUGALRHEITD-UHFFFAOYSA-N 351.359 2.130 0 40 FEAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ncccn2)o1 8571658 LDSRZJYSDWGULS-UHFFFAOYSA-N 357.395 2.478 0 40 FEAB CN(c1ccc(OCC(=O)NC2CCCCCC2)cc1)S(C)(=O)=O 22230407 SKHYRANHJBBMLS-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB CC(=O)Oc1ccc([C@@]2(C)CC(C)(C)NC(=S)N2)c(OC(C)=O)c1 704941 VRBHUQRIIFZWGJ-QGZVFWFLSA-N 350.440 2.399 0 40 FEAB Cc1cc(N[C@@H](C)CCN2CCCC2=O)n2nc(C(F)(F)F)nc2n1 84109875 MMATZQIHCYLWRF-VIFPVBQESA-N 356.352 2.264 0 40 FEAB CCNC(=O)COc1ccc(CN[C@H]2COc3ccccc32)cc1OC 105468818 IPXQDQCBVNTQGE-INIZCTEOSA-N 356.422 2.433 0 40 FEAB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 107342280 APXGCCZLDRRAEJ-UPJWGTAASA-N 355.188 2.014 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 25989460 RRXOOECVBKKPNL-IAGOWNOFSA-N 370.380 2.471 0 40 FEAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 26859442 UNZGEBZDRNVXFA-LLVKDONJSA-N 373.796 2.498 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1 10222459 WHYYLXSDTNBSIS-UHFFFAOYSA-N 369.446 2.248 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 102016109 PZQQGEXEPDEQHJ-YHUYYLMFSA-N 357.797 2.252 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 58201826 OHZUKJOFDRRVJB-JXMROGBWSA-N 361.405 2.338 0 40 FEAB COc1cc(CCC(=O)NCCC(=O)Nc2cccc(C)n2)cc(OC)c1 58267990 WQUFPCSUCSORTF-UHFFFAOYSA-N 371.437 2.485 0 40 FEAB CCN([C@H](C)COC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58268333 SYLDXOCHOUHNBK-CQSZACIVSA-N 354.472 2.167 0 40 FEAB CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 3374237 BXWVEJSMYYHLFP-GFCCVEGCSA-N 371.466 2.444 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)cc1 24051246 FQXQWPRASGATBY-SNVBAGLBSA-N 350.371 2.310 0 40 FEAB COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 58415470 KMPZHZQYMPTKKI-GDBMZVCRSA-N 368.433 2.460 0 40 FEAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(O)nn1 36688796 JKNXZDKBWAFKGT-UHFFFAOYSA-N 367.434 2.449 0 40 FEAB COc1ccc(-c2nnc(SCCN3CCOCC3)o2)c(OC)c1 12855013 GJYNSFIXCRDNEJ-UHFFFAOYSA-N 351.428 2.178 0 40 FEAB O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 12820709 PZRQMMYQRKLREJ-UHFFFAOYSA-N 368.455 2.470 0 40 FEAB Cc1ccc(F)c(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c1 29476918 MPMPGHWXCNAOFG-JTQLQIEISA-N 355.391 2.044 0 40 FEAB O=C1OCCN1CCN1CCO[C@@H](c2ccc(Br)cc2)C1 63580949 LXXXNXVUMYOSCF-CQSZACIVSA-N 355.232 2.275 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13693200 DEPYETLWETYUGL-ZIAGYGMSSA-N 355.438 2.226 0 40 FEAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1C 5002454 QCHGHAGQIMJNMN-AWEZNQCLSA-N 350.440 2.367 0 40 FEAB NC(=O)C(=O)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 39975716 YEMWMLDARBHRKY-UHFFFAOYSA-N 361.401 2.289 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1C 6826018 IHPSYVZFMPHLLG-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 66842727 YDVRLPXBYNBBMQ-SFHVURJKSA-N 364.511 2.379 0 40 FEAB COc1cccc(OCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 26836531 PLMXFPGQAWEPFL-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB CC(=O)c1ccc(N2CCN(CCC(=O)Nc3cc(C)on3)CC2)cc1 15480463 SRYOGOUYVLVMKB-UHFFFAOYSA-N 356.426 2.336 0 40 FEAB O=C1Cc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)ccc2N1 71091564 RSAXEUWAFMYDBM-UHFFFAOYSA-N 354.391 2.168 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)NCc3cccnc3)CC2)c(F)c1 9154094 RRTIEVUUKNAQKA-UHFFFAOYSA-N 356.401 2.455 0 40 FEAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 8191915 XUYDZIBOBAJHHF-UHFFFAOYSA-N 368.842 2.388 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 17066381 QLSUZUXJUHMAEP-UHFFFAOYSA-N 355.394 2.117 0 40 FEAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 9341573 RHHHLSPBWXEBRM-STQMWFEESA-N 358.872 2.004 0 40 FEAB O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnccn1 96999021 NLSFRVHYAOPOAU-GFCCVEGCSA-N 361.243 2.495 0 40 FEAB CCCCCN(C)c1ccc(F)cc1CN1CCN2C(=O)NC(=O)[C@@H]2C1 95467791 XQSPDIKZWJAUDY-KRWDZBQOSA-N 362.449 2.188 0 40 FEAB CCOC(=O)c1cnc(C)c(NC(=O)NC[C@@](C)(O)c2ccc(C)o2)c1 95454828 MSPNKHDOHQEUBD-GOSISDBHSA-N 361.398 2.497 0 40 FEAB CS(=O)(=O)Nc1ccc(OC(=O)c2ccc(N3CCCC3)nc2)cc1 95942848 PPOZMVAOALJWHZ-UHFFFAOYSA-N 361.423 2.273 0 40 FEAB COc1cccc(C(=O)N2CCN(c3cc(NCC4CC4)ncn3)CC2)c1 89467228 WWTMBIMKSGHHEO-UHFFFAOYSA-N 367.453 2.270 0 40 FEAB COc1cccc(-c2nc(CCn3c(C)cc(O)cc3=O)no2)c1OC 1547200879 NGVDBSJZOXSOAG-UHFFFAOYSA-N 357.366 2.172 0 40 FEAB O=S1(=O)N[C@@H]2CN(Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 306126056 DKUXKWXVADZSOV-AEFFLSMTSA-N 373.478 2.041 0 40 FEAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCC1 548677134 FGVSCRIVMDBZMC-GJZGRUSLSA-N 353.438 2.015 0 40 FEAB O=C(CCNC(=O)Nc1ccccc1)NC[C@H]1COc2ccccc2O1 32995787 NXQNLAFCVILFLP-HNNXBMFYSA-N 355.394 2.154 0 40 FEAB CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)N2 521923920 SNDYDBFHSLMBMS-LPHOPBHVSA-N 371.481 2.486 0 40 FEAB COCCn1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O 79477901 OHMQCSZUZQYZFB-UHFFFAOYSA-N 351.406 2.015 0 40 FEAB O=S(=O)(CCOc1ccccc1)N1CCN(CCc2ccccc2)CC1 70637747 JGTBJBLFYNLHBD-UHFFFAOYSA-N 374.506 2.256 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218590709 GZPIUKGUOFDJAC-HEHGZKQESA-N 374.890 2.073 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)C(=O)O)cc1 218627566 ANFAEMZBMOTOPN-SOLBZPMBSA-N 363.410 2.104 0 40 FEAB Cc1ccc2c(c1)N(C(=O)COC(=O)[C@@H]1COc3ccccc3O1)CCO2 72330865 REXXVAGXAVMOGX-SFHVURJKSA-N 369.373 2.104 0 40 FEAB Cn1c(=O)c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=O 71282696 ZGSOCLMFJCRGES-UHFFFAOYSA-N 373.206 2.346 0 40 FEAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 225734428 SHAODSUYEMRPIZ-SECBINFHSA-N 353.425 2.209 0 40 FEAB CN1CCN(C(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 225804989 NHUIBJNWJOFSLT-UHFFFAOYSA-N 368.359 2.462 0 40 FEAB COc1ncccc1CN1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108872 ZTVNWPIWXJWYLA-UYAOXDASSA-N 355.438 2.150 0 40 FEAB CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96263541 JLSXMZOLNTXAKY-UHFFFAOYSA-N 350.484 2.192 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)cc1 244396601 YHXDIFGVWCAKFC-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 374154853 AXVWVOSPALBGPQ-YPMHNXCESA-N 358.398 2.065 0 40 FEAB COc1cc2nc(N3CC4(CCOCC4)C[C@H]3C)nc(N)c2cc1OC 645382032 JTEFNKKIQQQDNZ-GFCCVEGCSA-N 358.442 2.625 0 40 FEAB Cc1ccc(CC2CN(C(=O)NCCC3CCS(=O)(=O)CC3)C2)cc1 664560498 DTJGCQUQNVKJGA-UHFFFAOYSA-N 364.511 2.394 0 40 FEAB CCc1cnc(O)c(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c1 666013170 OHRJFTYNHMSVQX-UHFFFAOYSA-N 371.412 2.477 0 40 FEAB COc1ccc(-c2ccnc(N[C@@H]3CCN(C4CCOCC4)C3=O)n2)cc1 649290936 CTZRBXVAEFHSHC-GOSISDBHSA-N 368.437 2.344 0 40 FEAB CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(=O)O 299817114 DGLBMACIGDZWJF-KVULBXGLSA-N 373.453 2.426 0 40 FEAB in-vitro COc1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)cn1 390829093 CQZMSVXGYMXSLM-UHFFFAOYSA-N 374.462 2.310 0 40 FEAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1cccc(F)c1)CC2 585104734 LQRFFBRGUUAWPD-AWEZNQCLSA-N 357.447 2.422 0 40 FEAB CC(C)CCN1CCC[C@@]2(CC(C(=O)NCCCn3ccnc3)=NO2)C1 585101337 YVKDNIQOOQVDBP-LJQANCHMSA-N 361.490 2.046 0 40 FEAB CCOC(=O)N[C@H](C(=O)O[C@H](C)c1cccc(-n2cnnn2)c1)C(C)C 48324843 KCRNNTHFYYJWRT-DOMZBBRYSA-N 361.402 2.037 0 40 FEAB COc1cccc([C@H](NC(=O)c2ccccn2)c2nccn2C)c1OC 12114972 JJOCRCPUWSDNLL-INIZCTEOSA-N 352.394 2.352 0 40 FEAB COc1ccc2cc(CN(C)[C@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 12118280 CINJZHJLZXTQLN-GOSISDBHSA-N 364.467 2.261 0 40 FEAB Cc1sc2nc(C3CC3)n(C3CCN(CC(N)=O)CC3)c(=O)c2c1C 12145316 IOACPOHWHNISMO-UHFFFAOYSA-N 360.483 2.074 0 40 FEAB COc1cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1O 19550083 SLLWYXKRAPBVOC-UHFFFAOYSA-N 364.405 2.104 0 40 FEAB COc1ccccc1CN1CCN(Cc2ccnc(N3CCCC3)n2)CC1 19570493 VCSSQZUONZQAIZ-UHFFFAOYSA-N 367.497 2.403 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C 5001443 KWVPCEYTUUHIGH-ILXRZTDVSA-N 365.547 2.411 0 40 FEAB Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)O)CC2)c(Br)c1 630221616 ADCMBCIAQNFIOD-GFCCVEGCSA-N 369.259 2.379 0 40 FEAB COc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1OC 21056577 IJIVVNMPXTYXQC-OKILXGFUSA-N 350.459 2.321 0 40 FEAB CCN=c1nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cc[nH]1 1889125165 WQZVNKSYWGWDCZ-UHFFFAOYSA-N 370.354 2.210 0 40 FEAB O=S1(=O)N=C(N2CCC(c3nnc(C4CC4)o3)CC2)c2ccccc21 1322031696 ZGLCBXPBFOELLS-UHFFFAOYSA-N 358.423 2.276 0 40 FEAB Cn1nccc1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 2037972606 GLWIZKYDTRHIFD-VQTJNVASSA-N 373.497 2.139 0 40 FEAB Cn1c(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc2ccccc21 2087138893 WAOHOGRKXLDWMY-OAHLLOKOSA-N 364.396 2.036 0 40 FEAB CC(C)NC(=O)[C@@H]1OC2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 1565554189 SXRMSCJYAYMGHY-QGZVFWFLSA-N 368.437 2.137 0 40 FEAB CC(C)N1CCO[C@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@H]2C1 1565546489 CYNQTWPAQFGFJO-KXBFYZLASA-N 357.454 2.328 0 40 FEAB O=S(=O)(NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 12068914 KDFHATHPFWCUHI-UHFFFAOYSA-N 359.495 2.177 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CCCCC1 12363119 OCBMYUXKRRFYPA-OAHLLOKOSA-N 361.364 2.436 0 40 FEAB COCCn1cc(NC(=O)NCCCN2CCOCC2)c2ccccc21 22998029 YMTDQTSEUNEYCI-UHFFFAOYSA-N 360.458 2.132 0 40 FEAB COc1ccccc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968035 KFRKXVRRNAXZJG-UHFFFAOYSA-N 367.449 2.293 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1 40093531 ZKANNMPQAXRVFR-UHFFFAOYSA-N 362.389 2.121 0 40 FEAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)cc1 101344462 UDEGEESKVKSFDT-RDJZCZTQSA-N 352.321 2.321 0 40 FEAB Cc1nn(C)c(C)c1C1=NO[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101466704 UUTNWJCMCGSHLL-PKOBYXMFSA-N 374.400 2.483 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)NCc1cccc(N2CCCC2=O)c1 32444111 CRFZXVMAUYOQMT-UHFFFAOYSA-N 365.499 2.412 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8191711 MVMXEYJPNIBADX-CQSZACIVSA-N 352.431 2.015 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 32808898 LPASPKPUTRHDQW-INIZCTEOSA-N 373.478 2.396 0 40 FEAB CCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 4898839 XXYHTVYYFPVOIY-UHFFFAOYSA-N 353.426 2.115 0 40 FEAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 6267935 KVGZZGDLRROESQ-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB COc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 6486657 YXAQTRVHSCGVIY-UHFFFAOYSA-N 354.406 2.201 0 40 FEAB O=C(NC1CCCC1)N1C[C@H]2CC[C@@]3(N=C(c4ccccc4)NC3=O)[C@H]2C1 107273264 SRKJKPAESUAJGE-LDBYXDLTSA-N 366.465 2.296 0 40 FEAB COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)N2CCOCC2)C3)cc1 100423499 ZVQSWBYJPRKCNG-ROUUACIJSA-N 359.470 2.232 0 40 FEAB CCOC(=O)C(=CN[C@@H](C)C(=O)Nc1c(C)cccc1C)C(=O)OCC 103550318 PQTNNGGIEZEKFV-AWEZNQCLSA-N 362.426 2.230 0 40 FEAB O=C(CNC(=O)[C@H]1CCCN(c2ncccn2)C1)Nc1ccc(Cl)cc1 54191407 GCNLJTBXOVWXAD-ZDUSSCGKSA-N 373.844 2.101 0 40 FEAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccnc1-n1cccn1 23171209 VEPKMPIMBPODIR-UHFFFAOYSA-N 366.377 2.496 0 40 FEAB CCn1ncc(C(=O)NCCc2nccn2C(F)F)c1C(F)(F)F 69924915 GLVNNZOEQWOPPZ-UHFFFAOYSA-N 351.279 2.486 0 40 FEAB CCC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)N=C(O)N=C1O 1272743 WHIPQMLKEJGTSV-UHFFFAOYSA-N 356.426 2.315 0 40 FEAB CCOC(Cn1cc(C(=O)Nc2nc(C3CC3)cs2)nn1)OCC 58263807 KMOZDXLIVGTYTE-UHFFFAOYSA-N 351.432 2.263 0 40 FEAB CC(=O)c1noc(C)c1C(=O)Nc1ccc(I)cn1 1398336 SYKOPIBYUPRMHK-UHFFFAOYSA-N 371.134 2.438 0 40 FEAB CCCn1nc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1=O 22722636 IYNNWONCFFOREC-UHFFFAOYSA-N 353.378 2.483 0 40 FEAB CN(C)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 25264730 FQBCAGNRQSGELM-UHFFFAOYSA-N 367.449 2.439 0 40 FEAB CCn1c(NC(=O)CCn2nnc3ccccc3c2=O)nc2ccccc21 27449789 FLZVXGKGODPKDW-UHFFFAOYSA-N 362.393 2.190 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 72284200 YPQGZVXJLNWKKU-MJGOQNOKSA-N 353.422 2.138 0 40 FEAB O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1CCCO1 58192666 LJSPPZIENVKAFN-CVEARBPZSA-N 372.387 2.374 0 40 FEAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241674 VACMKVYGCNDYFS-SJORKVTESA-N 362.426 2.444 0 40 FEAB Cc1sc(NC(=O)CCNS(C)(=O)=O)nc1-c1ccc(F)cc1 58216623 HYDRHQGSZYTGOT-UHFFFAOYSA-N 357.432 2.135 0 40 FEAB CC[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(Cl)c1 58264617 RTSWANSXHRAMSF-OAHLLOKOSA-N 370.902 2.499 0 40 FEAB Cc1ccc2c(COC(=O)CNC(=O)c3ccco3)cc(=O)oc2c1C 3380192 BEQPNTVHXUDMDN-UHFFFAOYSA-N 355.346 2.476 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1 36390728 GERUGPCVHDCQPA-UHFFFAOYSA-N 353.382 2.114 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccccn2)N=C1O 36589855 KPKZPVYKTLINSC-WMLDXEAASA-N 366.421 2.364 0 40 FEAB Cc1cccc(OCCCNC(=O)Cn2ncc(=O)c3ccccc32)c1 12790359 RVEHSWGTIZPFDI-UHFFFAOYSA-N 351.406 2.290 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O)N1CCOCC1 2445473 GCXLNLRUFAEFKL-JXMROGBWSA-N 372.855 2.297 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCC2 12895098 WFPQTHWZFLTNST-UHFFFAOYSA-N 358.463 2.155 0 40 FEAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3456731 AMUTVJINJZSOOF-KRWDZBQOSA-N 351.834 2.269 0 40 FEAB CCCN(C(=O)c1ccc(NC(=O)C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 12910817 XSTBOCIMVHPEII-GFCCVEGCSA-N 370.496 2.136 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H](C)O1 12950637 IAHGMNHSVVGEHI-RYUDHWBXSA-N 369.259 2.205 0 40 FEAB Cc1ccc2nc(COC(=O)c3ccc4c(c3)OCCO4)cc(=O)n2c1 5187134 YRPGDRUFDPHNLG-UHFFFAOYSA-N 352.346 2.131 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)c(C)n23)n(C)c1=O 4370512 UXTWODULIYUROA-UHFFFAOYSA-N 365.437 2.392 0 40 FEAB COc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 8777944 SASISSGLMUUDQD-UHFFFAOYSA-N 354.453 2.101 0 40 FEAB COc1ccc(-c2nnn(CC(=O)NC3CCCCCC3)n2)cc1OC 14111021 COSDMPSGSAHAEU-UHFFFAOYSA-N 359.430 2.196 0 40 FEAB O=C(CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)NC1CCCCC1 69895028 YANUKERLOCNTQX-GOSISDBHSA-N 371.481 2.246 0 40 FEAB CC(=O)NC[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65499565 MCMCOYNNFSJLCD-KRWDZBQOSA-N 369.469 2.021 0 40 FEAB O=C(Nc1cccnc1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 5687621 DKFLVWINXZOLLC-UHFFFAOYSA-N 368.418 2.207 0 40 FEAB COc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1 16091082 PIZLZWTYDZRJDI-UHFFFAOYSA-N 352.346 2.332 0 40 FEAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 7744418 YDLCZQPBLHDLQT-DTWKUNHWSA-N 351.852 2.263 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccccc2c1=O 8132833 STAOWBGIKAQWAL-ZDUSSCGKSA-N 362.389 2.160 0 40 FEAB Cc1cnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)s1 9377774 NBYJIOAYNFVBLZ-GFCCVEGCSA-N 369.443 2.382 0 40 FEAB CC(C)[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCCc2ccccc21 95349039 DGOUITISOVLOJD-MRXNPFEDSA-N 354.410 2.220 0 40 FEAB COCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1 95452961 DFPHIASFDTUGGW-UHFFFAOYSA-N 373.847 2.095 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCCN(Cc3cccs3)CC2)c(=O)[nH]1 73954991 KMHVHHAGHKXWIA-UHFFFAOYSA-N 374.510 2.115 0 40 FEAB O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 23020492 NWXKCIJCZRMQAG-UHFFFAOYSA-N 366.483 2.018 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccccc1OCC 67286786 GBZSYEMVIPLRGD-GOSISDBHSA-N 373.453 2.352 0 40 FEAB Cc1ccccc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306139176 SRJZGILOTGNQFC-IAGOWNOFSA-N 353.470 2.029 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 552449551 HGGMNPTWXCFPMG-CALCHBBNSA-N 370.474 2.299 0 40 FEAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)ccn1 36661942 MJORIXBNUTWURO-QGZVFWFLSA-N 353.422 2.064 0 40 FEAB O=C1CN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)CCN1 36360928 LVCKHEXFQKLZLC-UHFFFAOYSA-N 363.417 2.179 0 40 FEAB CC[C@H](C)[C@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)n1cnnn1 1565520477 SUQMHHWAOATFQX-LKFCYVNXSA-N 373.442 2.467 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccnc3ccccc13)CC(=O)N2 36354642 RSEQGRMDIBVJPL-AWEZNQCLSA-N 372.388 2.286 0 40 FEAB O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(F)c1 36633981 OQABSZHGTYXZJJ-SFHVURJKSA-N 371.387 2.419 0 40 FEAB COc1ccc([C@H](CC(=O)O)CC(=O)NCc2c(C)nn(C)c2C)cc1 226752353 CUDYUFJFLFZTPZ-HNNXBMFYSA-N 359.426 2.310 0 40 FEAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 223528916 XUNDBIBTJALMTB-VIFPVBQESA-N 354.457 2.098 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cnc3ccccn23)C1 569067239 JGVOTIFQQLSYSD-GOSISDBHSA-N 355.467 2.337 0 40 FEAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC2(CC1)OCCO2 45808610 KITZRWDXSKDGHW-UHFFFAOYSA-N 351.346 2.233 0 40 FEAB O=C(CCN1CCN(CCOc2ccccc2Cl)CC1)NC1CC1 45736571 OXPCEJRRPDGVNZ-UHFFFAOYSA-N 351.878 2.005 0 40 FEAB CNC(=O)[C@@H](NC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2)C(C)C 527886373 JNTZEHXOLHMVND-RCBQFDQVSA-N 373.501 2.316 0 40 FEAB COCCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1 225441903 BOWVPLWPHGNBCQ-UHFFFAOYSA-N 372.444 2.111 0 40 FEAB O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109006 ZLKZWUNLIVEFLN-NQIIRXRSSA-N 352.434 2.316 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(c4ccccn4)C3)OCC2=O)s1 96078357 SUBYFRWZUXFXQK-SFHVURJKSA-N 359.451 2.090 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)ncn1 248121986 NIJGCWSVVANUBK-KRWDZBQOSA-N 369.469 2.140 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccncc2)n1 248107452 PPECUPBPOOZRFK-KRWDZBQOSA-N 353.422 2.233 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257339371 ZBKGLSMMMUQDTC-QGZVFWFLSA-N 356.474 2.093 0 40 FEAB CS(=O)(=O)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257342449 ZORBHMFEEWCAPA-CYBMUJFWSA-N 360.414 2.284 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C(C)C 257218401 DCZVSJJWGRISQQ-IBGZPJMESA-N 370.497 2.158 0 40 FEAB CC(C)NC(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccccc1)CC2(C)C 253403570 QCMADAPVUMXWPG-KRWDZBQOSA-N 358.486 2.025 0 40 FEAB biogenic,in-vitro COc1ccc2c(c1)[C@H](C(=O)N1CCN([C@H](C)CC(=O)O)CC1)CCC2 630221208 VRDVRLGBKTXMBM-RHSMWYFYSA-N 360.454 2.123 0 40 FEAB C[C@H](Cc1cccc(O)c1)NC(=O)NCc1cccc(S(C)(=O)=O)c1 655139086 ISHPSKCUGLJTNQ-CYBMUJFWSA-N 362.451 2.226 0 40 FEAB C[C@@H](NC(=O)NC[C@H]1CCOC1(C)C)c1ncc(Br)cn1 661233923 CIKYBGOFMGVONO-NXEZZACHSA-N 357.252 2.414 0 40 FEAB COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599477664 IZYZKPFDTDIOAD-MPKXVKKWSA-N 359.344 2.436 0 40 FEAB Cc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2ccnc(OC3CCCCC3)c2)o1 1775959349 WXABQHRVCRMROX-GDBMZVCRSA-N 372.425 2.433 0 40 FEAB CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3nc4ccccc4n3C)CC2)O1 1775957598 CYCOFACFWJQCIT-ZWKOTPCHSA-N 356.470 2.426 0 40 FEAB O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(c2ccccn2)CC1 96097175 HFODPTLHXLFLFG-UHFFFAOYSA-N 352.369 2.025 0 40 FEAB O=C(NCc1cccc(C(=O)O)c1)Nc1nnc(C2CCOCC2)s1 669506640 IHZBJDASLDXOSY-UHFFFAOYSA-N 362.411 2.452 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1nnc2ccccn12 58014280 LJESSFLYLYDTQV-LBPRGKRZSA-N 352.394 2.360 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1Cl 5000107 WLXMGFPRIPETPL-UHFFFAOYSA-N 357.797 2.301 0 40 FEAB C[C@@H]1C(=O)N(CCN2C(=O)c3ccccc3C2=O)C(=O)N1c1ccccc1 14169736 XJSNOFPIVAYACW-CYBMUJFWSA-N 363.373 2.140 0 40 FEAB COc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)NCc2ccco2)cc1 15676292 UGWQWPNCFUXOCA-IBGZPJMESA-N 366.421 2.255 0 40 FEAB biogenic,in-vitro O=C(c1ccncc1)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375662 IYGUZMMSUFBIRO-CQSZACIVSA-N 370.434 2.147 0 40 FEAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1cc(=O)[nH]c(N2CCCC2)n1 19458340 LKHZJKKKDWYWFF-CYBMUJFWSA-N 363.421 2.409 0 40 FEAB CC1CCN(c2nc([C@H](C)NC(=O)Cc3ccccc3)cc(=O)[nH]2)CC1 19497006 IRPZYFQXEYUBTI-HNNXBMFYSA-N 354.454 2.426 0 40 FEAB CC(C)(C)NC(=O)CN(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 4898542 NLSODZVZXVSPLY-LLVKDONJSA-N 352.431 2.353 0 40 FEAB Cc1ccc(OC[C@H]2CCN(C(=O)c3nn(C)c4ccccc34)C2)nn1 1888890874 MFFXPMDOYTXFJM-AWEZNQCLSA-N 351.410 2.213 0 40 FEAB COc1cnc(N2CC[C@@H](Oc3ccncc3Br)C2)nc1 1889098103 OQHSAFUSMLOPGL-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(Br)cc2)CCO1)N1CCCC1 1889128492 WIUNQUXZSQDBTQ-HNNXBMFYSA-N 353.260 2.272 0 40 FEAB Cc1cc(CN2CCN(c3cc(O)nnc3-c3ccccc3)CC2)no1 1851660902 FKJQWXNSJLEBGZ-UHFFFAOYSA-N 351.410 2.468 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCCN(C)CC(F)(F)F)cc1 32929477 RHUDAIJEXRIFDX-UHFFFAOYSA-N 354.394 2.248 0 40 FEAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1c(F)cccc1Cl)CCO2 2037983911 KMAHZGZKKCBVJR-SFHVURJKSA-N 370.852 2.317 0 40 FEAB CCc1cccc2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2086992566 YSAVPJLLASRWHK-UHFFFAOYSA-N 355.467 2.279 0 40 FEAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)c3cc(C4CC4)on3)C[C@@H]12 1565555607 LFPRVUVBQULOKO-DOXZYTNZSA-N 356.426 2.401 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 17297148 OFQOQJXKTIKIMN-QGZVFWFLSA-N 358.438 2.354 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccco2)CC1 2055751365 ODHLRVKDJHOSQI-UHFFFAOYSA-N 371.437 2.129 0 40 FEAB CCSc1ccccc1C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966345 ZFDOUQFGCATPDR-UHFFFAOYSA-N 360.414 2.217 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2C(=O)CSC2=O)CC1 206983324 YLCOOZNQRDWKDO-UHFFFAOYSA-N 373.356 2.400 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 225658810 GPJRNBJBFXKIHO-OAHLLOKOSA-N 358.891 2.487 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F 12377547 DSGBODYJDMNJDK-BREBYQMCSA-N 368.258 2.098 0 40 FEAB COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 31809270 IUTQILASXHKARJ-ZUZCIYMTSA-N 362.817 2.282 0 40 FEAB C/C(=C\C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1)C1CC1 52113747 YKBDJKKZYMGPPM-SZGUKTLCSA-N 358.438 2.329 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(OC)c1 2652172 YPKYFKAHOSUCDQ-SFHVURJKSA-N 374.462 2.410 0 40 FEAB C[C@@H]([C@@H](C)N(C)C(=O)c1cc(Br)ccc1F)S(C)(=O)=O 78681572 WOSFOJROENYXIM-BDAKNGLRSA-N 366.252 2.482 0 40 FEAB CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 78787846 VVAYZYXIYBVOFA-UHFFFAOYSA-N 352.435 2.314 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)cc1OC 32833678 BLZDYXZXUKFUOW-UHFFFAOYSA-N 374.422 2.300 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 6159811 SXNYKCHVXBNRJN-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C 58006310 ZOMWSYXRZYXWQI-ZMSDIMECSA-N 361.486 2.169 0 40 FEAB Cc1nn(C)c2ncc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cc12 24199122 DBCHHPNVKOBPPO-INIZCTEOSA-N 352.394 2.263 0 40 FEAB CN1CCCN(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 106711833 NGSDAXKDGOCOOC-ZDUSSCGKSA-N 353.850 2.007 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2 24745461 YMNBTSKXZOQURX-UHFFFAOYSA-N 356.378 2.225 0 40 FEAB NC(=O)C1CCN(c2ncccc2CNC(=O)CC2=CCCCC2)CC1 106772331 LYBDTFNXUJFKJY-UHFFFAOYSA-N 356.470 2.290 0 40 FEAB Cc1nn(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=S)n1C 25474860 PTBCQFGJKJLIAB-UHFFFAOYSA-N 365.890 2.328 0 40 FEAB C[C@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 25572564 VGJXJRNHYVLETH-CRAIPNDOSA-N 360.433 2.163 0 40 FEAB COc1ccc([C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 26908173 YWIVKMNNTUMTSJ-OAHLLOKOSA-N 361.442 2.171 0 40 FEAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@H](c2ccc(F)cc2)C1 48133239 CPYRQRDSQBQUFJ-INIZCTEOSA-N 368.372 2.407 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 22682197 SJYQRMIGEHMXFD-IEBWSBKVSA-N 352.434 2.057 0 40 FEAB CC(C)(C)C(=O)NCCCC(=O)NCCc1cc(F)cc2c1OCOC2 58200867 QVAKWXDLHLORFZ-UHFFFAOYSA-N 366.433 2.293 0 40 FEAB O=C(CSc1nnc(-c2ccco2)o1)NCc1ccc(C(=O)O)cc1 3372445 BPWIMEWXGRDZFQ-UHFFFAOYSA-N 359.363 2.436 0 40 FEAB CN(CC(=O)Nc1c(F)cccc1F)Cc1nc2ccccc2c(=O)[nH]1 36386234 SWJPLLBUXLASRI-UHFFFAOYSA-N 358.348 2.272 0 40 FEAB COC(=O)CCSCC(=O)Nc1cc(Cl)ccc1-n1cncn1 11475104 VQOZGQBSUOYZEQ-UHFFFAOYSA-N 354.819 2.156 0 40 FEAB CC1=NN(c2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)CC1 48302146 QKTALIVBIDIIAT-UHFFFAOYSA-N 361.409 2.178 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)c1c[nH]nc1-c1ccc(F)cc1 48344103 CPHDMHIERAPKOC-UHFFFAOYSA-N 363.356 2.122 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 24989702 GSWJFZCXINPGOP-MRXNPFEDSA-N 374.437 2.075 0 40 FEAB COc1ccc(C)cc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 8735351 WKXXZZYASCDSSA-UHFFFAOYSA-N 353.378 2.308 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc4c(c3)CCC4)ccc21 64408392 ZRGMSYWBSBJHIW-UHFFFAOYSA-N 351.406 2.383 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 39535942 KKWLGOKWHGFQRN-UHFFFAOYSA-N 369.373 2.490 0 40 FEAB COc1ccccc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 6369117 BHIMAWWZERYETD-YJYMSZOUSA-N 360.410 2.239 0 40 FEAB COc1ccc(CN2CCC[C@@H]2C(=O)N2CCSCC2)cc1OC 92672978 ITBHDYVONVBARR-OAHLLOKOSA-N 350.484 2.244 0 40 FEAB CN(Cc1ccsc1)C(=O)CSc1nnnn1-c1ccc(O)cc1 14018155 KJNXIDPZZJKNMI-UHFFFAOYSA-N 361.452 2.180 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(=O)c2ccccc2o1 14170316 CLTPAESVDKBQJO-UHFFFAOYSA-N 361.357 2.302 0 40 FEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(O)c(OCC)c1 25070963 QKKKWIKVIXZTJH-HNNXBMFYSA-N 350.440 2.489 0 40 FEAB Cc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2N)n[nH]1 9088700 BFKHTJYCPLGKBN-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942251 VPRFJIZEFDHWAX-DZXRDFMUSA-N 371.433 2.491 0 40 FEAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 71284752 JPJSCHDWDCVFQB-AWEZNQCLSA-N 365.368 2.344 0 40 FEAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 7744427 YDLCZQPBLHDLQT-RKDXNWHRSA-N 351.852 2.263 0 40 FEAB Cn1nc(C(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2c1=O 8192479 MTELRWYUBGSMID-UHFFFAOYSA-N 351.362 2.347 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nc3nccc(C)n3n2)c(C)c1 9366724 IMRDDKGJYSFBQU-UHFFFAOYSA-N 366.425 2.069 0 40 FEAB COc1ccc(N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)nn1 95477512 ANGMQTMSZLZYQK-OAHLLOKOSA-N 356.426 2.027 0 40 FEAB c1ccc(NC[C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]23)nc1 306131310 KBFQUGBFDLFMMY-FRQCXROJSA-N 353.422 2.369 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@H]2C[C@@H]2C1 408499741 MMKYGKUKVCMCJM-IVZWLZJFSA-N 359.245 2.085 0 40 FEAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cn1 89333144 UYYSGQGXMSTDOY-SJLPKXTDSA-N 359.401 2.247 0 40 FEAB COCCCN1CN(c2ccc(OC)cc2)c2nc(C)c(C)c(=O)n2C1 38829942 PRQTYCPGBUTLMW-UHFFFAOYSA-N 358.442 2.274 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc2c1OCCO2 520994243 HZFOJXHIGCNWMI-OAHLLOKOSA-N 374.437 2.084 0 40 FEAB CCCc1c(C(=O)NCc2ccco2)cnn1-c1nc(C)c(C)c(O)n1 38670904 JVTURGRUJRPRCT-UHFFFAOYSA-N 355.398 2.460 0 40 FEAB O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCCCCC1 47427706 DVGLPGDMUCMSDB-UHFFFAOYSA-N 365.499 2.275 0 40 FEAB COCc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 225187614 VGKVXKCFESJZCO-UHFFFAOYSA-N 362.451 2.233 0 40 FEAB Cn1ccnc1N1CCC(NC(=O)c2cccc(C(F)(F)F)n2)CC1 573295499 DCGMCLUCGHDXMB-UHFFFAOYSA-N 353.348 2.233 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc(Cl)cc2)C1 575443526 UCFLCBGGQQPNTF-STQMWFEESA-N 364.854 2.310 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(Br)c1 196370908 JAYMFRYWIBHXEG-RNJOBUHISA-N 352.184 2.350 0 40 FEAB CC(C)c1noc([C@@H](NC(=O)NC[C@@H]2CCCO2)C2CCOCC2)n1 583621967 COPOPEQVEZDRPK-KBPBESRZSA-N 352.435 2.139 0 40 FEAB Cn1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 583621368 WZLZEYVVBCBABE-DOMZBBRYSA-N 353.344 2.316 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCc2cnn(C)c2)cc1 583616177 RWMACCQHLPWPJB-QUCCMNQESA-N 357.454 2.260 0 40 FEAB Cn1nnc2c1[C@@H](COCc1ccccc1)CN(CC1CCOCC1)C2 96060818 GHLZZYNPPKTHJK-GOSISDBHSA-N 356.470 2.358 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)o1 96057748 SNTSHRAUUSDTEV-YSVLISHTSA-N 355.394 2.241 0 40 FEAB Cc1c(CC(=O)Nc2cccc(OCC(=O)O)c2)nnn1-c1ccccc1 532004380 IAPUWKQUPKOQIF-UHFFFAOYSA-N 366.377 2.220 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC2(C1)OCC[C@@H]2COCC1CC1 247345256 UEFNQNLMRCIATL-CQSZACIVSA-N 355.431 2.032 0 40 FEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCOCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596235 OSQUKUJNMBEZBW-ZEPOWFQYSA-N 370.449 2.190 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)nc1 253603593 ZNZAVZJEYMOXGX-MRXNPFEDSA-N 362.437 2.366 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1ccccn1)C[C@H]2c1ccccc1 257306728 SVOHORPZGOFKBV-CBPXPLCBSA-N 365.477 2.279 0 40 FEAB OC[C@H]1CC[C@@H](NC2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 252505703 MBIGCGKIWPYRLM-CALCHBBNSA-N 363.502 2.113 0 40 FEAB biogenic,in-vitro CC(=O)N1CCC[C@H]1c1cncc(CN2CCN(C3CCCC3)CC2)n1 257212368 CDBOLQWIAANKCV-FQEVSTJZSA-N 357.502 2.220 0 40 FEAB CCc1nc(CN2CCC[C@H](NC(=O)NC[C@H]3CCCC34CC4)C2)no1 623603929 AQCXDIDIUJHIAS-CABCVRRESA-N 361.490 2.476 0 40 FEAB C[C@H](CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 299615365 VUKCICXLWBAIHW-HZPDHXFCSA-N 367.515 2.151 0 40 FEAB CCn1cc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cn1 390830120 IVKBPVYAOBMKKV-UHFFFAOYSA-N 366.175 2.239 0 40 FEAB CCc1nccn1CCC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585280704 NRNBTHCEAVLDLI-AEFFLSMTSA-N 359.445 2.427 0 40 FEAB Cc1cccc([C@H](C)CNC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1 585088680 VOSIUDVEANHHSG-UZLBHIALSA-N 361.486 2.113 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112277 MQUATDSJGVJCDO-MRXNPFEDSA-N 368.890 2.033 0 40 FEAB O=C(NC1CC2(CCN(C(=O)Cc3ccccn3)CC2)C1)c1cscn1 585104026 IGITXOBRTURZFN-UHFFFAOYSA-N 370.478 2.282 0 40 FEAB CCn1cc(Br)cc1C(=O)N1CCSC[C@@H]1CC(=O)O 91128412 SUANYDMOVMGAQG-JTQLQIEISA-N 361.261 2.303 0 40 FEAB Cn1nnnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 2198273 JNDJCUPQSCGWEI-UHFFFAOYSA-N 350.404 2.204 0 40 FEAB Cn1ccnc1N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 11695736 HKPRNCQVECVYDO-UHFFFAOYSA-N 367.375 2.200 0 40 FEAB Cc1nc2cc([C@H]3CCCCN3C(=O)c3ccn(C)n3)nn2c(O)c1C 12161597 CHFJQIOGWVNZQC-OAHLLOKOSA-N 354.414 2.153 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2)cc1 13671092 ATNPHNAMANJDOF-UHFFFAOYSA-N 367.515 2.444 0 40 FEAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)Nc1nccs1)n2C 13692336 UFERNBMZQKFGCB-JTQLQIEISA-N 358.423 2.400 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 19373597 SOAFPUNFQIPLFQ-AWEZNQCLSA-N 356.407 2.310 0 40 FEAB Cc1ccc2c(NC(=O)CN3C(=O)COc4c(Cl)cccc43)n[nH]c2n1 19661116 XHDVMGLUKLJLSG-UHFFFAOYSA-N 371.784 2.284 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCC(Cc3cc(N)nc(C)n3)CC2)cc1 19758374 XKCISLFWCPGPJD-UHFFFAOYSA-N 367.453 2.421 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19924415 HEELEEVQFNZEBQ-UHFFFAOYSA-N 374.462 2.230 0 40 FEAB O=c1nc2s/c(=C/c3ccccc3Cl)c(=O)n2nc1-c1ccccc1 5775419 FQHNYLHQMDQMNC-GXDHUFHOSA-N 367.817 2.379 0 40 FEAB CCc1c(C)ncnc1N1CCN(Cc2nnc(C(F)(F)F)o2)CC1 1888844170 SYBFEARSJSUMRQ-UHFFFAOYSA-N 356.352 2.071 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Br)cn1 41107456 BLMMQIPMQZMYKP-UHFFFAOYSA-N 359.183 2.262 0 40 FEAB COC(=O)Cc1csc(NC(=O)c2cncc(Br)c2)n1 31764196 BTRWNZJAMOCYOE-UHFFFAOYSA-N 356.201 2.268 0 40 FEAB Cc1cccc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037984557 FOHUOMXTKPYZLJ-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB CCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 4250938 HIAWVTDDEOQUIZ-UHFFFAOYSA-N 371.828 2.179 0 40 FEAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccccc1F 11745226 BFOQQXIGHBVTPF-UHFFFAOYSA-N 353.357 2.266 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771690 QXBUVARQHBPGOY-LJQANCHMSA-N 357.458 2.005 0 40 FEAB O=C(Nc1ccc(N2CCN(c3ncnc4c3CCC4)CC2)cn1)C1CC1 2298050226 QURIIEBIIJDYAH-UHFFFAOYSA-N 364.453 2.035 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3N3CCCC3=O)ccc21 19625298 HZAFFGRYALTBQL-UHFFFAOYSA-N 364.405 2.256 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 40153883 GMZRNLPROQHZHR-OLZOCXBDSA-N 358.394 2.437 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(F)c1 40143433 QVWSQXAPLYQSDG-LBPRGKRZSA-N 367.380 2.274 0 40 FEAB CCCc1c(C(=O)OCC(=O)N2CCCCC2)[nH]c(C)c1C(=O)OC 52057576 AEEXZSSNKJAWMY-UHFFFAOYSA-N 350.415 2.232 0 40 FEAB Cc1cccc(OCCNC(=O)CN2CCC(N3CCCCC3)CC2)c1 52004139 RPMYXGYLJUMLCL-UHFFFAOYSA-N 359.514 2.440 0 40 FEAB Cc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccccc3)cc2c1 923046 XJTTYTIZJQDLKP-UHFFFAOYSA-N 372.446 2.020 0 40 FEAB CCN(C)c1nc(N(C)CC)c2nc(N(C)CC)nc(N(C)CC)c2n1 1565936 ZLASRPSWRRDUFI-UHFFFAOYSA-N 360.510 2.244 0 40 FEAB CCc1ccc(C(C)(C)CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 79645551 PJHWAPIAVYOYMX-MRXNPFEDSA-N 352.500 2.067 0 40 FEAB CCCSc1ncc(Br)c(C(=O)NCCC(=O)OC)n1 41157640 MMEBPBUIZLGFAG-UHFFFAOYSA-N 362.249 2.034 0 40 FEAB C[C@@H]1CCCCN1CCCNC(=O)CCc1nc(-c2cccnc2)no1 46786371 BMPGVWPCSKAUKH-OAHLLOKOSA-N 357.458 2.445 0 40 FEAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C 21605084 XDGDBVRPGQKWSU-GFCCVEGCSA-N 360.410 2.103 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1NC(=O)C12CC4CC(CC(C4)C1)C2)C31CC1 4564951 UTCYAHAQXRHCRL-ZGPMKSNGSA-N 366.461 2.431 0 40 FEAB COCCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 32923832 FGDSROTYVMKZRQ-UHFFFAOYSA-N 357.378 2.469 0 40 FEAB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)NC1CCCCCCC1 6603132 JFYNPTNARRCAPU-MRXNPFEDSA-N 361.442 2.248 0 40 FEAB O=C(Nc1ccc(Br)cc1F)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6741971 QPIDHXUXYDMZMB-KXNHARMFSA-N 358.163 2.405 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2cccc(F)c2)NC(=O)N3)cc1 12345767 NMJZHNSPJXNTLL-SFHVURJKSA-N 367.380 2.485 0 40 FEAB CN(Cc1ccc(O)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 53281479 ZQEJPYYOURRWFL-UHFFFAOYSA-N 357.801 2.358 0 40 FEAB C[C@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)NC1CCCC1 22835314 WLLTVPGKJDRYJS-ZDUSSCGKSA-N 360.410 2.365 0 40 FEAB CC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 999312 SLENSXLHQYIYLI-UHFFFAOYSA-N 365.389 2.060 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 1080862 VWNALFAWLZSMNH-UHFFFAOYSA-N 351.366 2.156 0 40 FEAB Nc1ncccc1C(=O)OCC(=O)Nc1ccccc1Br 23989988 NPKGJVFBUDHVCR-UHFFFAOYSA-N 350.172 2.222 0 40 FEAB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)Nc1ccccc1Cl 54990943 DFKOWIWNAHIHHL-LBPRGKRZSA-N 363.767 2.421 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCC(C)CC3)ccc12 3249066 NZPOBYUQDVKHCH-UHFFFAOYSA-N 373.405 2.282 0 40 FEAB CN(Cc1ccsc1)C(=O)c1nc(N2CCOCC2)ncc1Cl 55557413 IPIRNXHZXUBZAN-UHFFFAOYSA-N 352.847 2.300 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 12604181 SJUYMMYAXDQWNM-MRXNPFEDSA-N 350.357 2.350 0 40 FEAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 107858597 DNHBULIOSWTBIM-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1F 3326358 GRLPUHIFMMZHNX-KRWDZBQOSA-N 364.442 2.445 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1 3325977 DTYXQFMLHDTXJQ-INIZCTEOSA-N 362.357 2.355 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 3343652 BUNNJZNFABIHCF-UHFFFAOYSA-N 374.462 2.326 0 40 FEAB COC(=O)c1cc(CNC(=O)CCc2c(C)nn(C)c2C)ccc1OC 10053173 ZEMJOWWBNQCPJL-UHFFFAOYSA-N 359.426 2.081 0 40 FEAB O=C(CNC(=O)NCc1ccc(C(F)(F)F)cc1)NCC(F)(F)F 58171991 XRDJBKGJOBSGPR-UHFFFAOYSA-N 357.254 2.183 0 40 FEAB Cc1nnc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)s1 58299475 MCNOELABNVUXQF-UHFFFAOYSA-N 354.399 2.383 0 40 FEAB Cc1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1S(N)(=O)=O 45035408 NNSKEWXXSSLIQO-UHFFFAOYSA-N 364.471 2.463 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCC(C)C)CC2)cc1 12728317 MBUFRPGQCXEFQT-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 28491797 OJQADCGVPLLJNY-KBPBESRZSA-N 354.472 2.014 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 11412785 VCONWZDGOVHCHR-UGSOOPFHSA-N 366.417 2.395 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc2c(c1)OCO2 3493817 YZBWDORPVZDGSK-UHFFFAOYSA-N 353.330 2.217 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 13068897 OBHFSUYQWPNNEN-UHFFFAOYSA-N 352.437 2.258 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c1 8776360 YPGNFFOGMSXOBY-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(I)cc1 39975687 PAUXZEPARBCDCJ-LBPRGKRZSA-N 358.179 2.241 0 40 FEAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 14092864 BHHFAQPGIYIDDC-TXEJJXNPSA-N 373.906 2.498 0 40 FEAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@@H]1CCCO1 6475115 JBHICYIJCJGRIW-IBGZPJMESA-N 368.433 2.291 0 40 FEAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 14180600 DAMOEZBLXZDEBL-JXFKEZNVSA-N 372.396 2.341 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2 14211019 ZIVNFTUGGYEADY-NSHDSACASA-N 374.418 2.340 0 40 FEAB CCN1C(=O)/C(=C(\C)NN2CCCC[C@@H]2c2cccnc2)C(O)=NC1=S 8744500 NFQWLRAFORTBHM-FQZGENGWSA-N 373.482 2.491 0 40 FEAB CNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 4694649 MJDSHGQGYCCZAW-UHFFFAOYSA-N 350.415 2.071 0 40 FEAB C[C@@]1(NC(=O)CSc2ccc3ccccc3n2)CCS(=O)(=O)C1 5626714 GTXATSQUHZQJJN-MRXNPFEDSA-N 350.465 2.020 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1 6789934 ZZNGBIBRJZOOQT-INIZCTEOSA-N 361.467 2.132 0 40 FEAB COc1ccccc1NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060518 MXURPGYWSKGDJX-LBPRGKRZSA-N 352.398 2.217 0 40 FEAB CC1CCC(N(C)C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 7441363 YNFWOMYLESMCCH-UHFFFAOYSA-N 371.437 2.015 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 9115145 XAPLWMHKMNYNIO-KRWDZBQOSA-N 363.373 2.430 0 40 FEAB C[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 84637361 OSAZRYBQVZHRJV-IINYFYTJSA-N 359.253 2.485 0 40 FEAB COc1ncccc1C(=O)N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 95998203 AOYVDMHZMFZVIO-OAHLLOKOSA-N 363.421 2.017 0 40 FEAB Cc1nnc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1C1CC1 95957901 DYIHVRLPLYORGV-UHFFFAOYSA-N 357.414 2.103 0 40 FEAB COc1cccc(N2Cc3nn(Cc4ccccc4F)c(=O)n3C2=O)c1 1547201232 RDPCXVGKWGXVFY-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB CS(=O)(=O)N1CCC(c2nnc3sc(C4CCCCC4)nn23)CC1 1501040177 COXFBZUIUWXWDD-UHFFFAOYSA-N 369.516 2.373 0 40 FEAB Cc1csc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)n1 306124553 BTNDDHJOJAGNPU-RRFJBIMHSA-N 363.508 2.390 0 40 FEAB Cc1c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cnn1C(F)F 36614583 GWOPRSLOFSVYNZ-UHFFFAOYSA-N 370.425 2.093 0 40 FEAB CCOc1cc(CCC(=O)N2CCC(O)(c3cccnc3F)CC2)on1 72340077 OETQTRMPDMLIPQ-UHFFFAOYSA-N 363.389 2.050 0 40 FEAB Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2COc3ccccc3O2)n1 77101082 TZUVFBBDYPMBIA-CYBMUJFWSA-N 367.327 2.303 0 40 FEAB O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cc(F)ccc1F 70895915 QIXLPRNPNGDCSV-UHFFFAOYSA-N 374.391 2.331 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1CCCN1CCOCC1 223167276 SBJJNBOGLWFBNZ-ZWKOTPCHSA-N 372.494 2.369 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(F)cc1 47812251 OSVMYVRHJASNQU-ZDUSSCGKSA-N 356.353 2.361 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1C 224203149 FYJHOKZDJUVBCL-UHFFFAOYSA-N 360.483 2.481 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 44900368 FXUXEEPSVDSEEH-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(c1ncccn1)C2 96056053 HJGABBJCFDXMMA-PXNSSMCTSA-N 370.453 2.351 0 40 FEAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccccc1 96520070 NOSZZBBAKYLCFO-VHSXEESVSA-N 374.627 2.482 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)s1 96052216 ZTOWIWSPFCHZFM-KRWDZBQOSA-N 364.511 2.144 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96226948 XAMPFTGQMYTHDT-PXNSSMCTSA-N 353.397 2.389 0 40 FEAB Cc1ccsc1C(=O)N1CC[C@]2(CC(C(=O)NCc3ccco3)=NO2)C1 96225868 DRLVEIADSKYBGJ-SFHVURJKSA-N 373.434 2.327 0 40 FEAB Cc1ccc(Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 98213173 YLQQEDWIZSAYEW-UHFFFAOYSA-N 366.396 2.197 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 332613004 LYZPZFZJBPKDMM-UHFFFAOYSA-N 354.332 2.199 0 40 FEAB COC(=O)C[C@H](c1c(OC)cc(OC)cc1OC)c1c(O)n[nH]c1C 95474563 PXFIOYHHHJPGQG-NSHDSACASA-N 350.371 2.145 0 40 FEAB Fc1ccc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)cc1 96049838 OMYZCDMXYWWKKC-NRFANRHFSA-N 371.456 2.324 0 40 FEAB Cc1c(C(=O)N2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)oc2ccccc12 257320000 VUYCZXNLBOMOIG-HOTGVXAUSA-N 358.438 2.479 0 40 FEAB CCc1cc(CNC(=O)C[C@H]2CCCN(C(=O)c3ccn(CC)n3)C2)on1 257204438 AUPOJHDBTSXVLF-CQSZACIVSA-N 373.457 2.012 0 40 FEAB O=C(C1CCN(c2cncc(-n3cccn3)n2)CC1)N1CCc2ccccc21 620262860 APDGQOLLFUOVCQ-UHFFFAOYSA-N 374.448 2.468 0 40 FEAB CCN1C(=O)C[C@H](C(=O)Nc2cccnc2C2CC2)[C@H]1c1nccn1C 1615592632 UQHVRZYIAFRQFO-GUYCJALGSA-N 353.426 2.241 0 40 FEAB Cc1noc(CN2CCCC[C@@H](NC(=O)c3cccc(C)c3C)C2=O)n1 643927858 MZYOOZXONIQFAU-MRXNPFEDSA-N 356.426 2.306 0 40 FEAB CCn1nc(C)cc1C(=O)N[C@H](C(=O)O)c1ccc(OC)c(Cl)c1 653666833 IIMUPBDGZCLOTH-AWEZNQCLSA-N 351.790 2.429 0 40 FEAB COc1ccccc1[C@@H]1CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 654639923 XYYVSUOQHPABAR-CJNGLKHVSA-N 371.441 2.364 0 40 FEAB O=C(O)CC1(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 656762545 FBHKBGLYPPRWOS-HNNXBMFYSA-N 352.456 2.148 0 40 FEAB O=C1NCCCC[C@@H]1NC(=O)N1CCC2(CCc3ccccc3O2)CC1 660509214 ZBMSRMKGGMUFCM-INIZCTEOSA-N 357.454 2.225 0 40 FEAB c1cc(N2CCOCC2)nc(NCc2ccc(N3CCCCC3)nc2)n1 676308967 UNBYOGWRBRPZOA-UHFFFAOYSA-N 354.458 2.311 0 40 FEAB CCN(CC(=O)O)C1CCN(C(=O)NC[C@H]2CCc3ccccc3C2)CC1 666539070 IAAYQACHQYIUQV-INIZCTEOSA-N 373.497 2.372 0 40 FEAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCCc1cccs1 585095769 JANUFSILPGPRME-MRXNPFEDSA-N 372.494 2.377 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cc1 585273368 SVEWBALNJVQRBH-NRFANRHFSA-N 355.434 2.279 0 40 FEAB CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)n(C)c1 52990792 WAUONBLRKWJRSK-HNNXBMFYSA-N 369.421 2.389 0 40 FEAB O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCCCC2)CC1 55027765 KNGOSHSGGNRBHY-UHFFFAOYSA-N 350.507 2.095 0 40 FEAB CC(=O)N1CCC(N2[C@H](c3ccc(F)cc3)C[C@H]3C(=O)NCCC[C@@H]32)CC1 1615160197 ZCZGOQJZBVHPBZ-AABGKKOBSA-N 373.472 2.478 0 40 FEAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@H]1CCS(=O)(=O)C1 12226909 JATBZJYSEZFDMC-RYUDHWBXSA-N 356.494 2.039 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1-n1cnnn1 12408537 JJMHNJBITIAPET-UHFFFAOYSA-N 350.357 2.255 0 40 FEAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12685300 SAXYOISXCBDZKI-GFCCVEGCSA-N 363.439 2.090 0 40 FEAB O=C(CCc1ccccc1)N[C@@H]1CCCc2nc(N3CCOCC3)ncc21 13267095 OWLILIHUFUPCKQ-GOSISDBHSA-N 366.465 2.440 0 40 FEAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN(CC(=O)NCc3ccco3)C2)on1 19121576 UHTNIDBCAPVFRW-AWEZNQCLSA-N 369.425 2.462 0 40 FEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccc(OC)cc3)nc(N(C)C)n2)C1 19585111 JKZYRUJFOKJKAI-OAHLLOKOSA-N 370.453 2.181 0 40 FEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@@H](Cc1ccccc1)C(C)=O 13420107 QLGPNKYGXKSHBK-INIZCTEOSA-N 371.389 2.089 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2C1=O 8961586 DMCUWQCVUMFWRE-UHFFFAOYSA-N 364.398 2.232 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 9157002 HKGBAHFNZHUGNB-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB O=C(Cn1cnc2ccccc21)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679598 CIWUBCPEGFOEJQ-DZGCQCFKSA-N 372.450 2.159 0 40 FEAB COc1cccc2cc(C(=O)NCc3ccc(NC(N)=O)cc3)c(=O)oc12 40040215 BSDCXXGJLYCKGB-UHFFFAOYSA-N 367.361 2.222 0 40 FEAB O[C@H](CN1CCOCC1)CN1CCC[C@@H]1c1cccc(Br)c1 40153477 IBWHHZNUAPBVIN-IAGOWNOFSA-N 369.303 2.279 0 40 FEAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NC2CCCCCC2)c2ccccc21 40282869 HKKIBZZNSRPOCX-KRWDZBQOSA-N 357.454 2.438 0 40 FEAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20332979 NQOBZEIKVNHRHO-WUKNDPDISA-N 364.405 2.427 0 40 FEAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 31549822 PSJSUGIPTBORIH-BJMVGYQFSA-N 374.418 2.365 0 40 FEAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1)C(C)C 20744630 TXCADTQQYUTQQZ-DOTOQJQBSA-N 374.416 2.404 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1-n1cnnn1 32713619 JZMDSKQWYUOIQH-UHFFFAOYSA-N 371.784 2.017 0 40 FEAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1 2627773 HZWUWYUGWFLYHH-ZDUSSCGKSA-N 361.423 2.197 0 40 FEAB COC[C@H]1Nc2ncnc(Nc3cccc(Br)c3)c2NC1=O 2657411 PHUDYJTZRXVREW-SNVBAGLBSA-N 364.203 2.362 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1NC(=O)c2ccncc2N1 78786283 NULUOAYOJRJDCS-QGZVFWFLSA-N 363.377 2.298 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3s2)C1 21636626 KJPKIXSAUTWDRF-STQMWFEESA-N 364.492 2.437 0 40 FEAB Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCCN1CCCC1 4983560 NDUDDTBVPADUMD-KNTRCKAVSA-N 366.465 2.008 0 40 FEAB CC(C)OCCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 6307097 HHOJSCGPPQVLKM-UHFFFAOYSA-N 362.879 2.037 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 22683120 JZBQOEAKNHFYIH-MSOLQXFVSA-N 356.397 2.326 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c[nH]1 53797490 ZGWLNUFBXGGKHS-UHFFFAOYSA-N 367.858 2.383 0 40 FEAB CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@@H]1CC(=O)N(C2CC2)C1=O 97003111 FMEMVSGLCANNSM-OAHLLOKOSA-N 363.845 2.199 0 40 FEAB CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 902720 QQHYVOKKINATQM-CYBMUJFWSA-N 355.442 2.267 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 23381515 VAZJYJUISBMXJC-JXFKEZNVSA-N 356.470 2.267 0 40 FEAB CN1CCc2nc(NC(=O)CCn3c(=O)oc4ccccc43)sc2C1 24152539 ZNXPEJUBLOQWJP-UHFFFAOYSA-N 358.423 2.068 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(F)c3)s2)cc1 105630292 MNRWZFOBHLSBJM-IWSCKCOWSA-N 355.390 2.076 0 40 FEAB O=C(NCc1cc(-c2ccccc2)no1)c1sccc1-n1cnnn1 57376707 VTAYFHCFEZWOGZ-UHFFFAOYSA-N 352.379 2.309 0 40 FEAB CN1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2ccccc21 106169838 AEGKIAYNLUFAJZ-HZPDHXFCSA-N 370.497 2.310 0 40 FEAB CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 24843110 LNQJGMJNDAZZSN-IBGZPJMESA-N 356.470 2.349 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2nc(C3CC3)no2)C1 55706271 PXKCMPIORKZKNQ-GFCCVEGCSA-N 350.419 2.210 0 40 FEAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 22386293 BRGIHQZHWSBRNB-QGZVFWFLSA-N 360.429 2.396 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 102325919 VCJCQZXLKHQWJE-DKKFBQAASA-N 370.449 2.285 0 40 FEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489973 QSKCIETVTQZNGM-CYBMUJFWSA-N 371.462 2.437 0 40 FEAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N1CCNC1=O 10029914 QHFRLYJFIPVJJB-SNVBAGLBSA-N 372.402 2.405 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(SC)cc2)c2ccccc2O1 12641639 WQILSNKLJMBXOW-KRWDZBQOSA-N 371.462 2.361 0 40 FEAB Cc1csc(N2CCCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)n1 58162739 QBZCZWHLHOZGKI-UHFFFAOYSA-N 355.467 2.400 0 40 FEAB O=C(NC[C@@H]1CCCO1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 27617232 XPJHHVPQZNYJFB-KRWDZBQOSA-N 370.453 2.244 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1F 58245588 PTVIJFXRTBNUAT-UHFFFAOYSA-N 352.362 2.076 0 40 FEAB O=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccoc1 58215083 CFBLHADONRKWIB-UHFFFAOYSA-N 361.829 2.402 0 40 FEAB NC(=O)Nc1cccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)c1 58224519 WMBFDANQMHOEPN-UHFFFAOYSA-N 374.832 2.151 0 40 FEAB O=C(C1CC1)N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 48230042 IUUBYBHCQKFSMS-IBGZPJMESA-N 354.450 2.134 0 40 FEAB Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(C)o1 48273120 WTVLYHPFQFOPFE-GOSISDBHSA-N 355.438 2.142 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)[C@H](C)CCC3 2442853 PTFOHFSEFXGMHH-SECBINFHSA-N 359.455 2.199 0 40 FEAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)NCc1ccc(F)cc1 11314121 MGESRMOQOZVJNX-NSHDSACASA-N 361.402 2.251 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 12782772 NZHYPOIKFFMAFD-AWEZNQCLSA-N 372.446 2.272 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3ccccn23)cc1 3496199 ILRBAHIADAPGPG-UHFFFAOYSA-N 369.450 2.227 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccccc2)c1C 3483825 JWDSOVJYDYKDIF-UHFFFAOYSA-N 358.394 2.281 0 40 FEAB O=C(NC1=NCCS1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12934525 MBRNTYGKHKJAKA-UHFFFAOYSA-N 365.414 2.315 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccncc1 8747177 RZFHVDGWQGYRJE-NSHDSACASA-N 362.227 2.451 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)ccc1OCC 408701163 SNJPZAHVCFWGRX-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB O=C(COc1c(CO)cc(F)cc1CO)Nc1ccc(OC(F)F)cc1 8878616 WARWLOYALVMJEI-UHFFFAOYSA-N 371.311 2.429 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4787655 SFGBDEAOVFZGOP-LJQANCHMSA-N 368.345 2.111 0 40 FEAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccncc1)C2 306142744 XIGYDTVXSPXFTQ-HNNXBMFYSA-N 370.428 2.231 0 40 FEAB CC(C)n1cc(NC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 80153739 HSDKGERYSNUZCP-GFCCVEGCSA-N 365.459 2.336 0 40 FEAB COc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 67504220 OQNRSQWLMWUTFS-HZPDHXFCSA-N 374.462 2.231 0 40 FEAB CCCNC(=O)CNC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 83157708 RBBWNENTALSVLE-OAQYLSRUSA-N 372.513 2.210 0 40 FEAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 7975500 KTNRCMPGDBZBPQ-JTQLQIEISA-N 351.255 2.051 0 40 FEAB O=C([C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1)N1CCOCC1 8116358 XGWNEUHQPDLUES-GOSISDBHSA-N 370.380 2.092 0 40 FEAB CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 69114531 DNYOJFFDJNDMGF-RDJZCZTQSA-N 362.499 2.266 0 40 FEAB CN(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1N1CCOCC1 9367831 RFDFMYMHBBZWNH-UHFFFAOYSA-N 371.456 2.411 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N(C)CC1(O)CCCC1 89775748 JTXFXJIWJCKHDN-INIZCTEOSA-N 350.434 2.344 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 20012887 WVIMCADVVUZNRP-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)O)C3=O)o2)cc1 408587938 AQLQGEDHTTZXLC-RIYZIHGNSA-N 354.318 2.127 0 40 FEAB Cc1nn(C)c2nccc(N3CC[C@@H](Oc4cccnc4N(C)C)C3)c12 521223449 HIIDHTXAUXFDSA-CQSZACIVSA-N 352.442 2.395 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCCCCC4)nc3c2c1C 72335224 JARXMQDYBYVYDX-UHFFFAOYSA-N 359.455 2.125 0 40 FEAB CCCc1nnc2c(=O)n(CC(=O)N3CCCCC3)c3ccccc3n12 64871632 LXSKMQFAHJOSEA-UHFFFAOYSA-N 353.426 2.009 0 40 FEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 71283713 HACVAODTVXIYQS-STQMWFEESA-N 371.359 2.106 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339032 RUVXEPUYLJAVQG-NKSTXHLWSA-N 358.438 2.094 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(Cl)cc1 41097905 XBPCEQICVDFMGJ-AWEZNQCLSA-N 354.834 2.164 0 40 FEAB CCNC(=S)NC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 225228774 NOMGWYZCMFPCEB-UHFFFAOYSA-N 367.515 2.161 0 40 FEAB COc1ccc([C@@H]2CCN(c3nccc(N[C@H]4CCCOC4)n3)C2)cc1 333271842 NVYIUGPIQASXBZ-SJORKVTESA-N 354.454 3.070 0 40 FEAB Cc1noc(C)c1CN1CCC2(CCN(C(=O)c3cnccn3)CC2)C1 96157652 YSVIGWXOWNVTAO-UHFFFAOYSA-N 355.442 2.210 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 96245438 YTPNYQLNUVYSTH-GASCZTMLSA-N 350.846 2.183 0 40 FEAB Fc1ccccc1CN1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96218711 YVARSGDVHJJIBI-QGZVFWFLSA-N 358.417 2.026 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)CC1 96301169 OXDVFSWAOKAXHR-QGZVFWFLSA-N 358.438 2.156 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 248044555 PYFBQVIHTXLGLI-AWEZNQCLSA-N 352.456 2.126 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CC1 257260815 LEMRMVATPFUCLF-OAHLLOKOSA-N 356.470 2.031 0 40 FEAB Cn1cncc1-c1ccc(CC2CCN(CC3(O)CCOCC3)CC2)cn1 257234733 GUWOGQWMJZHEDI-UHFFFAOYSA-N 370.497 2.278 0 40 FEAB CN(Cc1ccc(F)cc1Cl)C(=O)c1ccnc(N2CCOCC2)n1 625352782 QFGUUEGWGPJAHF-UHFFFAOYSA-N 364.808 2.378 0 40 FEAB Cc1cn2ccc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc2n1 635190449 MUUGMSMROCQXPQ-UHFFFAOYSA-N 352.394 2.270 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1Cc1ccc(F)c(Br)c1 643764191 QPEZSBGXUSMTFE-OAHLLOKOSA-N 359.239 2.315 0 40 FEAB O=C(O)[C@H]1CC(=O)N(C2CCN(c3ncc(C(F)(F)F)s3)CC2)C1 650775150 NUUWYUQQMHKDGW-QMMMGPOBSA-N 363.361 2.064 0 40 FEAB CCN1CCCN(c2ncc(C3CC3)c(N3CCCN(CC)CC3)n2)CC1 677955875 ODGLIXUBXWEZOG-UHFFFAOYSA-N 372.561 2.418 0 40 FEAB CCc1cnc(CN2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)o1 1775962819 KNUHABIBNVXKSA-GDBMZVCRSA-N 371.485 2.102 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585096934 CTSGYVQEHNMMPP-OAHLLOKOSA-N 369.469 2.086 0 40 FEAB C[C@H]1c2ncc(CCOc3ccccn3)n2CCN1Cc1cnn(C)c1 585098276 SVRTVTKLKMDVOG-HNNXBMFYSA-N 352.442 2.210 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3cc(C)oc3C)CC2)C1 585103608 PVFVXQKATKLPQM-KRWDZBQOSA-N 364.486 2.343 0 40 FEAB C[C@@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(=O)NC(C)(C)C 56160913 JRYUHRSYSDXDPI-GFCCVEGCSA-N 362.430 2.064 0 40 FEAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)[nH]c2c1 67158773 QLQVKUPITKKUQS-UONOGXRCSA-N 361.467 2.012 0 40 FEAB O=C(CSC1CCCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104294 KTDADYNRKMWDAG-UHFFFAOYSA-N 357.472 2.486 0 40 FEAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1cccs1)C1CC1 105568610 AYPNCCBVGXGNPW-IYVPYFHTSA-N 356.447 2.046 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C)c2cc(C)nn23)cc1 1772596501 NENJAXMBFGJNDZ-UHFFFAOYSA-N 368.437 2.198 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)N3CCCCCC3)C2)n1C 5001462 XNYJFTXUMVTUNF-AWEZNQCLSA-N 351.520 2.119 0 40 FEAB COc1ccc(OC)c(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1 5045731 LSKXZIHKYHJXDZ-SFHVURJKSA-N 362.470 2.211 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129503 QHOAAURZOPMMDK-ZFWWWQNUSA-N 359.451 2.314 0 40 FEAB Cc1cccc(C)c1OCC(=O)N1CCC(O)(Cn2ccnc2C)CC1 12221589 VEYHBGKUGUYEHN-UHFFFAOYSA-N 357.454 2.241 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 13623971 HMSCNPYROSTRCC-HSSOGYSNSA-N 365.389 2.217 0 40 FEAB Cc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19209493 GUNWCTGUTRIGEX-KRWDZBQOSA-N 350.466 2.379 0 40 FEAB C[C@@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 19455329 STXWLTPUALOHSZ-YJBOKZPZSA-N 368.485 2.366 0 40 FEAB O=C(Cc1ccncc1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19687780 LVSLKCMFVDWPBQ-LJQANCHMSA-N 361.405 2.076 0 40 FEAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929867 HKHFNSKQADOARC-UHFFFAOYSA-N 356.488 2.321 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986767 ZRKSEOASSKFEFB-SJORKVTESA-N 357.385 2.109 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-n3ccnc3)cc2)cc1 6052916 BBWNPOHAFHGSNK-UHFFFAOYSA-N 371.418 2.342 0 40 FEAB COC(=O)c1cc(CN(C)C[C@@H](O)COc2ccc(F)cc2)oc1C 28694989 LKXURQLJEUWPOA-CQSZACIVSA-N 351.374 2.385 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Cn2ccnc2)cc1 30220237 RCDQQYISDIBLMC-MRXNPFEDSA-N 362.433 2.366 0 40 FEAB Cc1noc(C)c1CN1CCN(c2ccc(-c3ccccn3)nn2)CC1 1776009011 QYPNFVSOYLPWHE-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@](O)(COc3ccccc3)CC2)n1 2037908945 HYHNCIKYAQWNRT-HXUWFJFHSA-N 357.454 2.323 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)no1 1565543000 WCLFBHKQTOYBGW-KRWDZBQOSA-N 352.394 2.272 0 40 FEAB COc1ccc(NC(=O)NCc2n[nH]c(=O)c3ccccc23)c(OC)c1 4317509 HFGHKENGLISCIO-UHFFFAOYSA-N 354.366 2.262 0 40 FEAB CN1CCC(N(C)C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374267 XZYAOJOHSAEQAO-AWEZNQCLSA-N 364.877 2.181 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2cccnc2)CN1c1ccc(Cl)cc1 8808615 UXWLWFDYOYLASN-GFCCVEGCSA-N 365.842 2.066 0 40 FEAB CO[C@@H]1CCN(c2ccc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)cc2)C1 585149168 MIHILWUAXHDEES-GOSISDBHSA-N 367.453 2.078 0 40 FEAB C[C@](O)(CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 206717271 VRXPMAFANVHZJQ-ZDUSSCGKSA-N 365.329 2.364 0 40 FEAB FC(F)(F)c1ccnc(NCc2nnc3ccc(N4CCCC4)nn23)n1 575617341 SOGULCHYKSCUOP-UHFFFAOYSA-N 364.335 2.145 0 40 FEAB COC(=O)Cn1c(Sc2nnnn2-c2ccccc2)nc2ccccc21 20032003 SXOQOTILSRIKFV-UHFFFAOYSA-N 366.406 2.336 0 40 FEAB Cc1noc([C@@H](C)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 52100294 SLGIGPNEPCPIOU-CYBMUJFWSA-N 353.426 2.307 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813982 XXLAFJDJKJYQOZ-AWEZNQCLSA-N 368.499 2.319 0 40 FEAB COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 79066821 UJHRNVYEFHJETL-RTBURBONSA-N 368.433 2.088 0 40 FEAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCCN3CCOCC3)c2)n1 79479775 AYULTTQVFCYVKB-UHFFFAOYSA-N 369.469 2.289 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 2749726 RDGAFTPGXGAATE-UHFFFAOYSA-N 351.358 2.326 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCCc1ccc(F)cc1 32935927 CMEVFVRDCOKEKE-CYBMUJFWSA-N 361.339 2.221 0 40 FEAB C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1)c1ccccc1 4321018 ZEDRFKZDHHSZGL-WMLDXEAASA-N 369.421 2.034 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)s1 21905470 RCEFRRAUJJYURC-KBPBESRZSA-N 370.540 2.492 0 40 FEAB C[C@]1(c2cccc(NC(=O)CSCc3cccnc3)c2)NC(=O)NC1=O 53810573 HYRKOWCMFGOUQM-GOSISDBHSA-N 370.434 2.008 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccc(OCc3ccccc3)cc2)N2NC=NC2=N1 956650 RSKNKFWLJTZHHY-SFHVURJKSA-N 361.405 2.284 0 40 FEAB CC(=O)c1ccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 23389259 MKNRXLOFTNURHB-FQEVSTJZSA-N 354.450 2.451 0 40 FEAB CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(C)cc1=O 42542956 BKBLTWYHPSVXFF-AWEZNQCLSA-N 371.437 2.391 0 40 FEAB Cc1ccc(C/C(O)=N/S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1 54475770 JGNMTQNPKSCOKC-UHFFFAOYSA-N 371.422 2.073 0 40 FEAB Cc1ccc(NC(=O)C2=NN(CC(=O)n3nc(C)cc3C)C(=O)CC2)cc1 57478035 OVLYUBZSYNTCDS-UHFFFAOYSA-N 367.409 2.066 0 40 FEAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(OC)c(O)c1 1457616 ASUQGLWVDNNBEX-UHFFFAOYSA-N 361.394 2.324 0 40 FEAB O=C(NC[C@H]1COCCO1)c1c(-n2cccc2)sc2c1CCSC2 55846480 SXZRYISAZVBVNH-LBPRGKRZSA-N 364.492 2.473 0 40 FEAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(-n2cccn2)nc1 12522599 UXVBDELNTDEMAJ-UHFFFAOYSA-N 355.423 2.478 0 40 FEAB CC[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)c1ccccc1 1859904 BPQWDWPCJWSTJA-MRXNPFEDSA-N 361.419 2.170 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1 57640181 DREFGLQPCDEXCR-UHFFFAOYSA-N 362.449 2.106 0 40 FEAB O=C(NC[C@H](O)COCC1CC1)Nc1nnc(C2CCCCC2)s1 58133813 KVCCJZCQVGYFIE-ZDUSSCGKSA-N 354.476 2.495 0 40 FEAB COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1OC 10111250 CZXRRMOIJKDLNZ-UHFFFAOYSA-N 356.488 2.248 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 10287103 ORQIQIMCAAOZFO-GFCCVEGCSA-N 364.389 2.351 0 40 FEAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O 2149204 MILGLQWQTGFTAY-UHFFFAOYSA-N 361.394 2.064 0 40 FEAB biogenic Cc1cc(=O)oc2cc(OCC(=O)O[C@@H](C)C(=O)NC3CCCC3)ccc12 3329281 UTCRHRWZGOWGJF-ZDUSSCGKSA-N 373.405 2.471 0 40 FEAB CCc1ccc(C(=O)COC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1 3369202 GDQYGGZPPCPUOZ-UHFFFAOYSA-N 360.410 2.086 0 40 FEAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1 3301719 OVWCXNOPFIMSPR-UHFFFAOYSA-N 366.417 2.249 0 40 FEAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2c(c1)CCC2 10794768 XDKPDCHZQZXBQL-GFCCVEGCSA-N 373.430 2.251 0 40 FEAB O[C@@H](COCc1ccccc1)CN1CCC[C@@H]1c1nnc2ccccn12 12781150 KXLZSTJSBZPIRO-QZTJIDSGSA-N 352.438 2.444 0 40 FEAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C2=NN(C)C(=O)CC2)cc1 45592619 NUKXQZGRHYKRNU-INIZCTEOSA-N 359.426 2.102 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1ccccc1 12900779 OSGIFXKHUUECJS-UHFFFAOYSA-N 363.417 2.080 0 40 FEAB biogenic CC(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 38419496 LZKSIVHTYWVHLP-LJQANCHMSA-N 357.479 2.118 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(F)c(F)c1 49243341 BCVJVPBNRKTILB-HNNXBMFYSA-N 364.348 2.269 0 40 FEAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17072944 ODJJOKMPVQJHIU-SNVBAGLBSA-N 351.453 2.036 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Cl)s1)c1cccc2c1OCCO2 65643132 NDWVINDLOWWQAU-UHFFFAOYSA-N 359.812 2.291 0 40 FEAB COC(=O)CSCCOc1ccc(OCCSCC(=O)OC)cc1 4666699 PIRWIMAEOCKOOO-UHFFFAOYSA-N 374.480 2.257 0 40 FEAB C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cccnc1N1CCOCC1 68293222 FKSFSPYYHMJNRG-MRXNPFEDSA-N 366.465 2.099 0 40 FEAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024595 IFSJXCYDBHORNJ-CJXDPKRBSA-N 373.428 2.001 0 40 FEAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 68430104 QNLZMNXZVLINOR-ZIAGYGMSSA-N 373.453 2.390 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccc(OC)cc2)CC1 16339198 KZVPHDSAESOTCH-GOSISDBHSA-N 360.454 2.244 0 40 FEAB COc1ccc(-n2ccnc2SCc2nc(N)nc(N(C)C)n2)cc1 9156645 TZEZHYVYSHNWSI-UHFFFAOYSA-N 357.443 2.006 0 40 FEAB CCOC(=O)[C@](NCc1ccccc1OC)(NC(=O)CC)C(F)(F)F 19939223 ALNHWZWRTNKUKB-HNNXBMFYSA-N 362.348 2.133 0 40 FEAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 9640546 QHGMJSSWKFCCKF-UHFFFAOYSA-N 367.453 2.231 0 40 FEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(S(N)(=O)=O)c1 84656280 NANUFXBSXDYJDV-IUIKQTSFSA-N 362.426 2.454 0 40 FEAB CC(C)c1nnc2c(N3CCC[C@@H](CNC(=O)c4ccco4)C3)nccn12 509459793 QGWFLTDIWWPVFZ-AWEZNQCLSA-N 368.441 2.487 0 40 FEAB COC(=O)c1nc(NC(=O)COc2coc(C)cc2=O)sc1C(C)C 72401407 XHWYLCUONRBGCO-UHFFFAOYSA-N 366.395 2.332 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)s2)cc1 71285100 ZRSRETSISIFPED-CHWSQXEVSA-N 361.423 2.433 0 40 FEAB C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(SC(F)(F)F)c1 1559402893 BLCGNGLTEVMHSA-QMMMGPOBSA-N 354.375 2.206 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 30848022 ZBCFJKBLYWYNLZ-UHFFFAOYSA-N 365.477 2.311 0 40 FEAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)ccn1 35424833 GCOOAZRHWCWMKI-AWEZNQCLSA-N 370.413 2.217 0 40 FEAB biogenic,in-vitro C[C@@H]1CCCN(Cc2ccc(CNC(=O)N[C@H]3C(=O)NCC[C@H]3C)cc2)C1 193781846 LPNMDWJLJJQHOW-GPMSIDNRSA-N 372.513 2.242 0 40 FEAB COc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(=O)O)cc1 225317333 CJXFIJPGAKKNHA-UHFFFAOYSA-N 373.405 2.482 0 40 FEAB Cc1ocnc1CNC(=O)N1CCN(c2ncnc3ccsc23)CC1 92521617 KEXHOWJAWTZLIZ-UHFFFAOYSA-N 358.427 2.020 0 40 FEAB Cc1ccc(C(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)o1 96078648 NQAWNWUAVRJGEU-MRXNPFEDSA-N 369.421 2.491 0 40 FEAB COC[C@@H]1CN(C)CC12CCN(C(=O)c1ccc3c(c1)OCCCO3)CC2 248159662 WZLSZKXJXPKGJD-KRWDZBQOSA-N 374.481 2.278 0 40 FEAB CC(=O)N1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cccc3cccnc23)C1 257336671 YPLUJXORVOIZQJ-QGZVFWFLSA-N 363.465 2.481 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257274926 NNGHFXUOAXFYJI-KRWDZBQOSA-N 359.401 2.266 0 40 FEAB C[C@@H]1CN(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC(=O)N1C 669643441 RIQPAOOMPDPXRG-CQSZACIVSA-N 354.410 2.246 0 40 FEAB O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 90613267 GSZMUXIGSHLLTH-ZDUSSCGKSA-N 372.299 2.357 0 40 FEAB Cc1ccn([C@@H](C)CC(=O)N(C)CCn2cc(Br)cn2)n1 614956089 UEWVRMWOKFZWTK-LBPRGKRZSA-N 354.252 2.260 0 40 FEAB COc1cccc(C2(NC(=O)CC[C@@H]3CCCN3)CCOCC2)c1F 639013147 HTXRMDHLHZIFNX-AWEZNQCLSA-N 350.434 2.488 0 40 FEAB Cn1cnnc1N1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 653936662 IDTHZNSONKQSLV-UHFFFAOYSA-N 370.457 2.491 0 40 FEAB O=C(Nc1cccc2cccnc12)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390830769 NEXQANDVAVWLEK-CQSZACIVSA-N 374.408 2.073 0 40 FEAB CC(C)CCC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575404179 QFKAIUZHOIMERP-OAHLLOKOSA-N 354.516 2.148 0 40 FEAB Cn1cnc2c1C[C@H](COc1ncccn1)N(C(=O)C1=CCCCC1)C2 585094626 FYXVTKWYEHCVOO-OAHLLOKOSA-N 353.426 2.043 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 585107332 PVYRJHRFGHIXBJ-YJBOKZPZSA-N 363.408 2.120 0 40 FEAB CCN(CC)CCN(CC(C)C)C(=O)c1cnn(-c2ccc(O)nn2)c1C 59118162 MAAUFLPFRISMHW-UHFFFAOYSA-N 374.489 2.116 0 40 FEAB O=C(CCc1ccco1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615117244 AZNOFQWLNUMYPY-FQEVSTJZSA-N 354.406 2.247 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 5241427 GLYVUCVFGBMMLO-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB O=C(CCn1ccnc1)N1CCC(c2noc(-c3cccnc3)n2)CC1 12087750 WKWQTKOVWRRGCT-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146237 MIYVRUUOVMHLMG-WMLDXEAASA-N 355.438 2.039 0 40 FEAB Cc1ccc(C2(O)CCN(CCNC(=O)C3CCC(=O)CC3)CC2)cc1 12326466 OILUUMKOPCKCFL-UHFFFAOYSA-N 358.482 2.154 0 40 FEAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)c1ccccc1 12789003 UXONJWBETROGSI-DYVFJYSZSA-N 353.374 2.363 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n[nH]1 19451823 KFDXGUBGENMYCX-QGZVFWFLSA-N 354.458 2.288 0 40 FEAB Cc1nc(N2CCCC2)sc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 19716612 WKRWAHDSFQVRJM-HNNXBMFYSA-N 366.531 2.138 0 40 FEAB Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)c1 9468993 JBPHNBVNQYUNKM-NSHDSACASA-N 353.831 2.349 0 40 FEAB COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCCC1 6025062 YYCRDSUAJAMRKT-UHFFFAOYSA-N 361.423 2.127 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030100 GJIPUUZAJZMELU-CZUORRHYSA-N 362.426 2.294 0 40 FEAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)Nc1ccccc1 1775963839 GJVMKBCWDAMDTE-AWEZNQCLSA-N 355.398 2.465 0 40 FEAB biogenic,in-vitro Cc1ncoc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037985119 YEMPNFPTEWNJFI-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1 2952182 AYZACRKWWIKQCC-UHFFFAOYSA-N 371.824 2.440 0 40 FEAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1cc(C)on1)C(F)(F)F 3103606 VJWPKUQZQQPWAQ-ZDUSSCGKSA-N 361.276 2.240 0 40 FEAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1OC 12441568 QUHCAOQGQZHYEG-GOSISDBHSA-N 363.435 2.466 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)O)cs2)cc1 13414819 FSRLDQFPMNQAML-UHFFFAOYSA-N 365.436 2.459 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(c2ncc(F)cn2)CC1 2055772417 GVKUHFLBZAFMFI-UHFFFAOYSA-N 361.396 2.294 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](C(C)C)N(C)C 40047513 GUSYQCLTSIUOKP-QGZVFWFLSA-N 356.470 2.374 0 40 FEAB CC[C@]1(C)CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 75999131 ZEISZECYWXWISW-QGZVFWFLSA-N 363.487 2.078 0 40 FEAB CCOC(=O)C(=C(SC)SC)c1nn2c(=O)cc(C)nc2s1 1646724 MMIVZTGDOSKVSY-UHFFFAOYSA-N 357.482 2.417 0 40 FEAB CCCCN(CCO)c1nc(C)nc2c1nnn2Cc1ccc(F)cc1 4985366 LDXQNRGDMBPONO-UHFFFAOYSA-N 358.421 2.316 0 40 FEAB Cc1ccc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 8040569 NIQNYYRGZLWANH-UHFFFAOYSA-N 370.515 2.473 0 40 FEAB C[C@@H]1C[C@@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C(=O)O1 53020560 BMOJIQKHADVVML-QMTHXVAHSA-N 352.818 2.400 0 40 FEAB O=C1CC[C@@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)N1 100156360 BAWBRRDWJSOJRR-SCRDCRAPSA-N 374.466 2.467 0 40 FEAB O=C(NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 107430591 ZCTATNODONIRGZ-OPVJXMOQSA-N 359.397 2.137 0 40 FEAB biogenic,in-vitro CN(CCCNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 28483455 PYNMGONDHLSNGS-UHFFFAOYSA-N 350.422 2.039 0 40 FEAB COc1ccc(CCNC(=O)CC(=O)NCCc2ccc(OC)cc2)cc1 3242745 BKOWFUHGWRIXDG-UHFFFAOYSA-N 370.449 2.112 0 40 FEAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1 22227510 WHTBHXYSNJJPIU-UHFFFAOYSA-N 350.484 2.366 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(C[C@H](O)Cn1cnc3ccccc31)C2=O 100672147 MJHYAWVSCVHURZ-ARGWCVDVSA-N 355.438 2.209 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 3336959 JIOXABKTETYYIX-UHFFFAOYSA-N 368.231 2.498 0 40 FEAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nnc(C)o1 58015922 SKDLJYSBVPHEHB-CQSZACIVSA-N 361.398 2.058 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC 10515573 IZRVMDUESROWDD-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CNC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 10180099 XFFNFTFLNVNOET-UHFFFAOYSA-N 366.421 2.224 0 40 FEAB CCOC1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 58213701 MBFICWHJKMLSKM-UHFFFAOYSA-N 374.890 2.036 0 40 FEAB COc1ccc(Br)cc1CNC(=O)[C@H]1CCCN(C(C)=O)C1 58216595 CPLPRMXHSGXAQA-LBPRGKRZSA-N 369.259 2.332 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10373127 SDGYSVGBTNWGIO-UHFFFAOYSA-N 358.463 2.446 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCC3(C)Cc4ccccc4C3)ccc21 179395134 CWBGRXLCMRRIDC-UHFFFAOYSA-N 372.446 2.215 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 3431801 QXXVLUHZNFQYLN-NSHDSACASA-N 358.394 2.241 0 40 FEAB C[C@H](Sc1nnnn1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 8313814 YUQHVRUPFGGVLE-JTQLQIEISA-N 372.454 2.253 0 40 FEAB Cc1c(CC(=O)NC[C@@H](O)c2ccccc2)c(=O)oc2cc(O)ccc12 4088575 GPMHQISNBQJLJY-QGZVFWFLSA-N 353.374 2.199 0 40 FEAB biogenic COC(=O)c1ccccc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 6006481 TWAOAXIKNWKSLF-UHFFFAOYSA-N 373.409 2.009 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c(OC)c1 113892774 YCOGDDAIECVYLD-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB CCn1nnc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc21 15739103 NBVSCBWRZGHORL-UHFFFAOYSA-N 354.410 2.441 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC(C)(C)C 409391926 PGDWGZDAJVRYPT-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB CC(C)(C)C(=O)NC(=S)NC1=C[C@H]2N=C(c3ccncc3)O[C@H]2C=C1 16322704 PMOMCCJENVVISL-KGLIPLIRSA-N 356.451 2.086 0 40 FEAB CC(C)c1ccc(CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 16397109 MXMMYWJEFYOECR-QGZVFWFLSA-N 364.511 2.078 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2ccccc2s1 9255406 CCOSFFMNBQTSEV-UHFFFAOYSA-N 355.375 2.394 0 40 FEAB C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1sccc1C(N)=O 9497792 FHDPDFLIOLNTTK-SSDOTTSWSA-N 368.798 2.390 0 40 FEAB COc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19877518 KOWUKXAKXLKKOF-UHFFFAOYSA-N 368.433 2.311 0 40 FEAB CN(C(=O)CNc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 83855718 WIMJEMOZEUMUFH-SFHVURJKSA-N 358.463 2.411 0 40 FEAB CCOC(=O)C1=C(CSc2ncnc3sccc23)NC(=O)N[C@@H]1C 9789382 FUFBJZCYDUMFDQ-MRVPVSSYSA-N 364.452 2.302 0 40 FEAB O=C(c1ccc(Br)cc1F)N1CCOC[C@H]1c1ncon1 95981348 SNTQXXJIMUHQFY-NSHDSACASA-N 356.151 2.185 0 40 FEAB COc1ccc(C)cc1CN(C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 9918790 WJWWGSPWMMAJDR-UHFFFAOYSA-N 370.405 2.121 0 40 FEAB CC(C)NC(=O)N(C(=O)c1c(-n2cnnn2)sc2c1CCC2)C(C)C 36358676 QHNFJNMBQIFDHO-UHFFFAOYSA-N 362.459 2.181 0 40 FEAB CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 548263804 ZZAXBLFFVCPKOH-SJORKVTESA-N 363.435 2.246 0 40 FEAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 56903511 CWYJYJQKIGURLJ-VMPITWQZSA-N 361.405 2.494 0 40 FEAB COc1ccc(-c2cc(C)nc(SCC(=O)N3CCN(C)CC3)n2)cc1 35183081 DXJCJJYMRNIAPO-UHFFFAOYSA-N 372.494 2.327 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)cc1F 64871484 BTSNMHVRNLXNJU-UHFFFAOYSA-N 365.368 2.439 0 40 FEAB CN(c1ccccc1C(=O)NCCSC1CCCC1)S(C)(=O)=O 46453975 FYVLQEVGSRLGBP-UHFFFAOYSA-N 356.513 2.488 0 40 FEAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)NCCc1ccccc1 96024286 DBXIWZCLIFPZHJ-UHFFFAOYSA-N 352.394 2.088 0 40 FEAB COc1cccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1 95101321 IXQNTJCICKWGPJ-ZSZQSSIHSA-N 360.410 2.131 0 40 FEAB Cc1nc(CO[C@@H]2CO[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cs1 96208512 GBDUVFNAUKSFKM-HOCLYGCPSA-N 350.419 2.335 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccccc1 96520069 NOSZZBBAKYLCFO-UWVGGRQHSA-N 374.627 2.482 0 40 FEAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)C3CC3)C[C@H]21 514289373 JFCOLGINAWRQDB-MJGOQNOKSA-N 363.417 2.202 0 40 FEAB biogenic,in-vitro CN(C)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCOCC1)c1ccccc12 96079351 JYWQVKOBZYSBMA-QGZVFWFLSA-N 371.481 2.048 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247727370 DQROWJTXDPESBI-QGZVFWFLSA-N 372.396 2.439 0 40 FEAB Cc1ccc(CC(=O)N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)cc1 247859853 FKMVNMLOBAWETL-SFHVURJKSA-N 366.465 2.447 0 40 FEAB Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2cccnc2)C3)cs1 248061552 VYEBKFUVXRFXHW-OAHLLOKOSA-N 359.451 2.294 0 40 FEAB O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257202935 ANYFSENGFNDHGW-HNNXBMFYSA-N 353.426 2.197 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 252514138 BJVJTQCRRMOEPG-ZACQAIPSSA-N 350.871 2.244 0 40 FEAB C[C@]12C[C@@H](c3ccccc3)N(C(=O)Cn3cccn3)[C@H]1CCCC(=O)N2 257265504 LYXFHJUSSGBMSP-ZWOKBUDYSA-N 352.438 2.284 0 40 FEAB CNc1cc([C@@H]2CCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)ccn1 257231525 GHDFHVLWQPLFGG-MRXNPFEDSA-N 353.426 2.497 0 40 FEAB O=C(c1c[nH]cn1)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1 257315611 VCDIFABBKRKAQY-UHFFFAOYSA-N 364.331 2.491 0 40 FEAB CCn1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)nc1C 543662018 IYBWVHNZKIWJGK-NSHDSACASA-N 351.428 2.275 0 40 FEAB COc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(=O)O)cc1F 630191648 SNQDRMCEZXJDDC-WOSRLPQWSA-N 351.374 2.139 0 40 FEAB C[C@H](Oc1ccc(NC(=O)CN2CCCCCC2=O)cc1F)C(=O)O 630260453 XWJUKPRGLYWHBY-NSHDSACASA-N 352.362 2.019 0 40 FEAB CN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@H](CO)Cc1ccccc1 636167334 GSXFNOOKUVASLB-ZDUSSCGKSA-N 354.328 2.482 0 40 FEAB O=C1CC[C@@H](CCNC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)N1 606443193 ZOASXKNLXIJIEV-JTQLQIEISA-N 355.316 2.465 0 40 FEAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)COC2)c1cccs1 681559171 XOWGAPYYJDBARP-CYBMUJFWSA-N 353.421 2.273 0 40 FEAB O=C(CC1CCOCC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615157236 JLZVDKUYJCCSDB-UHFFFAOYSA-N 372.465 2.228 0 40 FEAB O=C(CSc1nnnn1Cc1ccco1)NCc1ccccc1Cl 11674147 OHINBMODYLFTJE-UHFFFAOYSA-N 363.830 2.376 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccco4)nc(C)n32)s1 12115323 HPQYRASVLZPJJP-UHFFFAOYSA-N 356.407 2.237 0 40 FEAB CN(C)c1ncc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cn1 12119209 ZKWBRSUQJCHXSB-OAHLLOKOSA-N 353.426 2.288 0 40 FEAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCC(C)(C)N1CCOCC1 12858240 KGHGMXPPKCNQJS-UHFFFAOYSA-N 356.898 2.342 0 40 FEAB CCN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCN(C)CC1 19665946 KNTZNARJLYEHHD-MRXNPFEDSA-N 361.461 2.117 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 19709521 LJUTUATWFNDQOR-SFHVURJKSA-N 353.470 2.062 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 19747440 PLSMXRRBYFELQC-HNNXBMFYSA-N 373.497 2.063 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 6316343 AUYYXFVHTLZORB-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB COCC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 19592863 CEIPDAHWJXMXAQ-QGZVFWFLSA-N 370.424 2.256 0 40 FEAB Cn1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 583621371 WZLZEYVVBCBABE-WFASDCNBSA-N 353.344 2.316 0 40 FEAB COc1ccccc1C(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888879099 GEKHBODXZOWBCC-UHFFFAOYSA-N 372.400 2.170 0 40 FEAB COCCOc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 27945037 OKOANRKACCUPEK-CQSZACIVSA-N 350.440 2.279 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 32900017 HWOWENSELHTATR-ZDUSSCGKSA-N 367.496 2.053 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccc(OC(C)C)nc4)C[C@@H]3C2)ncn1 1776009764 PPZNEWSLIGXGKR-IRXDYDNUSA-N 367.453 2.176 0 40 FEAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCn2nc3c(c2C1)CCC3 245171715 XRDYWSUGPGCSGR-UHFFFAOYSA-N 355.822 2.369 0 40 FEAB Cc1cncc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037984764 NAPJMMKBEWNPOF-OAQYLSRUSA-N 365.433 2.286 0 40 FEAB COCCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2cc(F)ccc21 1565542449 BIXCAYPCSOKAIN-UHFFFAOYSA-N 358.417 2.189 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCc2ccccc21 807124 ROKRYJVFFDXRSX-UHFFFAOYSA-N 371.400 2.172 0 40 FEAB COc1ccc(CN2C(=O)[C@@](O)(CC(C)=O)c3ccccc32)cc1OC 4987792 LHRHWFURKDERGA-HXUWFJFHSA-N 355.390 2.417 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 5221920 YTYBPDDCPMIUNJ-HNNXBMFYSA-N 374.462 2.396 0 40 FEAB CCN1CCOc2ccc(NS(=O)(=O)Cc3ccccc3)cc2C1=O 9828225 QCSAXIYSCMJZDK-UHFFFAOYSA-N 360.435 2.483 0 40 FEAB Cc1csc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772192 GIPXIBCNXHNCGR-UHFFFAOYSA-N 358.467 2.117 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccc2nsnc2c1 38630275 DMHHKQOUBLVJTD-OAHLLOKOSA-N 358.423 2.088 0 40 FEAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1ccc(Br)o1 9171895 NWYSGCJYDLFNDM-UHFFFAOYSA-N 351.156 2.417 0 40 FEAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCOCC2)cc1 23157288 ZQQHSYIFSRVFPE-CQSZACIVSA-N 360.439 2.235 0 40 FEAB COc1ccc(Br)c(C(=O)N2CC(Nc3cnccn3)C2)c1 952986182 JDQLPXMEHFVJKK-UHFFFAOYSA-N 363.215 2.184 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)sc1C 32983748 AIVZPLFHHSJWFH-JDNHERCYSA-N 350.444 2.199 0 40 FEAB CCOc1ncccc1CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 30309375 WBBWVKJRNIAFAI-AWEZNQCLSA-N 359.451 2.463 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(Cn3cncn3)cc2)n1 40121581 JEOAJMNCNRWGCB-AWEZNQCLSA-N 352.442 2.206 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 31531576 NIJYYPTUGVRECT-UHFFFAOYSA-N 357.410 2.050 0 40 FEAB CN1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 20503410 KVQVSTJHTUTDBD-UHFFFAOYSA-N 365.466 2.377 0 40 FEAB O=C(CNC(=O)c1ccc(Br)cc1Cl)Nc1cn[nH]c1 51413278 MBWOYUZSPRZMQS-UHFFFAOYSA-N 357.595 2.194 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl 29506416 ZWUHWGWXUPQMFN-LBPRGKRZSA-N 365.842 2.366 0 40 FEAB C[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCCO2 32718844 KKHDTZFRYPAPSJ-SGTLLEGYSA-N 368.389 2.425 0 40 FEAB Cc1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccccc1 2625252 OOYNJCSNNLWBOY-KBPBESRZSA-N 360.483 2.363 0 40 FEAB Nc1cc(N)nc(SCC(=O)Nc2ccccc2Br)n1 887591 FAOAHHMNRPBJMO-UHFFFAOYSA-N 354.233 2.134 0 40 FEAB Cc1nc(SCC(=O)N(C)Cc2cccc(F)c2)sc1CC(N)=O 32871339 PSJWMTNDPMWXOO-UHFFFAOYSA-N 367.471 2.369 0 40 FEAB C[C@H](NC(=O)COc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 46703616 QQNGKADZSUXKNY-LBPRGKRZSA-N 366.414 2.453 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccccc1OC(F)F 102681518 JBHBNKCSJVGMOT-STQMWFEESA-N 366.364 2.079 0 40 FEAB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOC 6961146 HXERGGACTUZLFE-ABPVARSCSA-N 374.437 2.313 0 40 FEAB COC(=O)C1(NC(=O)CCc2nc(-c3ccccn3)no2)CCCCC1 33164745 WZNNOPFAOIZNIU-UHFFFAOYSA-N 358.398 2.056 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 47031386 WABMWSOVTQSYKE-CQSZACIVSA-N 353.444 2.390 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(Cc2cccs2)CC1 23263402 CUGFOCYFTTVRBA-HNNXBMFYSA-N 361.515 2.243 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1ccccc1 12599284 GUKJVLQQLMKSQQ-JSGCOSHPSA-N 360.435 2.287 0 40 FEAB C[C@H](O)CNS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 54363456 XCEFAAOZTZWUFN-YFKPBYRVSA-N 363.060 2.415 0 40 FEAB Cc1nc2ncnn2c(C)c1CC(=O)NCCCn1ccc2ccccc21 12595300 GZOUKXRGUTXUPP-UHFFFAOYSA-N 362.437 2.445 0 40 FEAB CN1CCO[C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)C1 105471857 HQXTWKSMKCAPQP-FQEVSTJZSA-N 363.465 2.355 0 40 FEAB COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O 24573680 IMPJDJSXFPYTCY-UHFFFAOYSA-N 370.405 2.088 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)c(OC)c1 56026789 RPTCMMLPWNELFH-UHFFFAOYSA-N 358.394 2.203 0 40 FEAB O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 56274313 CNDAMAJXWSSWPZ-LBPRGKRZSA-N 370.858 2.369 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2CC[C@@H]3C2)c1 101887873 PAMGBPNCTKIXMJ-XZFSWKSHSA-N 368.433 2.131 0 40 FEAB CCN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cn2)CC1 57676903 DBKUXBFJJHGNEV-UHFFFAOYSA-N 355.442 2.019 0 40 FEAB CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC(F)(F)F)ccc1Cl 48260388 TWOHUTMQEYAFGW-UHFFFAOYSA-N 374.768 2.156 0 40 FEAB COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 103155303 HKGFAMQWXBOYHV-MHWZDGSBSA-N 361.419 2.080 0 40 FEAB COc1ccc(CN2C(=O)[C@H](n3cnnn3)[C@@H]2c2ccccc2)cc1OC 58166648 HIDKAHLZLFHAHY-ZWKOTPCHSA-N 365.393 2.015 0 40 FEAB CCCc1nc(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)no1 58173984 SSLKDRRQUVRYBX-UHFFFAOYSA-N 372.425 2.282 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCCOc1ccccc1 10216026 QZAASZMVMHEIMQ-UHFFFAOYSA-N 373.453 2.217 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 58279121 ZUWGEEBEEHQKRD-UHFFFAOYSA-N 371.455 2.157 0 40 FEAB O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NCc1ccco1 3367419 DOLGWSQGTFXVCG-UHFFFAOYSA-N 372.164 2.164 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cnn(C)c2)n1 48332037 YDZDOKBNJURWKY-AWEZNQCLSA-N 370.434 2.058 0 40 FEAB Cc1cc(C)c(CNC(=O)CCCNC(=O)NC2CCCCC2)c(=O)[nH]1 12976132 WUABCFWCCDNDLS-UHFFFAOYSA-N 362.474 2.020 0 40 FEAB CC[C@H]1CN(CN2C(=O)C(=O)c3c(Br)cccc32)CCO1 13008015 HBZYKUCGAGSBRJ-JTQLQIEISA-N 353.216 2.047 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1OC 13137642 IFPVIAWCIKYSAA-SFHVURJKSA-N 359.382 2.276 0 40 FEAB O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303659 YLWHKSUOFPXILQ-CYBMUJFWSA-N 363.414 2.260 0 40 FEAB COc1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1OC 14161554 QBPQNTSMZBWSIZ-CQSZACIVSA-N 363.439 2.126 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)CC1 4696078 VJMQAETVDFXFBT-UHFFFAOYSA-N 350.390 2.346 0 40 FEAB CCN(C1CCN(C(=O)CCc2c(F)cccc2F)CC1)S(C)(=O)=O 66844064 CXHVRHUCBNZEAC-UHFFFAOYSA-N 374.453 2.170 0 40 FEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccco1 5938567 MHSOCIKVQZQFIQ-UHFFFAOYSA-N 362.451 2.313 0 40 FEAB C[C@H]1CCCN(C(=O)CN2CCCN(C(=O)CCc3ccccc3)CC2)C1 83243670 GMXBQVWMJHTTNC-IBGZPJMESA-N 371.525 2.412 0 40 FEAB C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C[C@@H](C)O1 7785243 UCLCLGIZNVFIND-RKDXNWHRSA-N 352.740 2.156 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)CC1 32944911 CJIIXRHGWHPYPB-CQSZACIVSA-N 359.499 2.425 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2c(F)cc(N)cc2F)c1 72312508 NVRWNWVREWUDAI-UHFFFAOYSA-N 366.320 2.360 0 40 FEAB CC(C)[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)OC(C)(C)C 95418732 KVYVZUSMSPVEDZ-QGZVFWFLSA-N 373.453 2.338 0 40 FEAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 75613192 YKISHOTWDGEQDB-KGLIPLIRSA-N 373.494 2.423 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1C 408557489 NAXHUVXXYOJNPT-HNNXBMFYSA-N 368.499 2.319 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 21707519 PYPYTLRTCBQCIQ-AWEZNQCLSA-N 374.462 2.294 0 40 FEAB Cc1nc(-c2cccc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c2)no1 128836582 AZOBHQBOKXNCJF-DYVFJYSZSA-N 358.423 2.438 0 40 FEAB O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 38490016 WPYFFKKZBUIZRX-QWHCGFSZSA-N 350.378 2.091 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1 31546564 CRXJQJQLMSXTRW-UHFFFAOYSA-N 350.396 2.371 0 40 FEAB O=C(NCCCN1CCCC1=O)NCc1ccc(OC(F)(F)F)cc1 30986357 OCAIFEOQLAHMFP-UHFFFAOYSA-N 359.348 2.397 0 40 FEAB Cc1oc2c(c1C(=O)N1CCn3c(nnc3[C@@H]3CCCN3C)C1)CCCC2 72373958 AMYXMTGLLDENEJ-HNNXBMFYSA-N 369.469 2.481 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1Cl 47080946 FMXMYJPRFYTZKK-SNVBAGLBSA-N 360.863 2.074 0 40 FEAB Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224564245 INVYLXJFQAGPGZ-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2nnsc2-c2ccccc2)C1 226746984 IFLNCNLOHYHXJA-ZDUSSCGKSA-N 356.451 2.336 0 40 FEAB CS(=O)(=O)N[C@@H](CC(=O)NCCc1ccccc1)c1ccc(F)cc1 225945132 AWJBZUOBYPJTQR-KRWDZBQOSA-N 364.442 2.165 0 40 FEAB CC(C)(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226082512 YKVKBLBUTBSNFG-CYBMUJFWSA-N 356.463 2.389 0 40 FEAB CCOc1ccc(CCC(=O)NCCCN2CCOCC2)cc1OCC 44900094 YSKJHZANRKOHFX-UHFFFAOYSA-N 364.486 2.255 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)c(Cl)cc21 223360930 PBXBXWXAEBPEGW-UHFFFAOYSA-N 356.787 2.339 0 40 FEAB COc1ccccc1NC(=O)N1CC[C@@H](CO)N(C)c2cccnc2C1 225497376 NLKMUSIJSWVHOZ-AWEZNQCLSA-N 356.426 2.325 0 40 FEAB biogenic,in-vitro O=C(C[C@@H]1C=CCC1)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044455 QRWJZXJPDWDFMX-CRAIPNDOSA-N 359.470 2.396 0 40 FEAB O=C(O)[C@H](c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 96024385 BOBXXKQXHHOONM-ZDUSSCGKSA-N 356.216 2.414 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C(C)C)C2 96207118 CAPFQNWZKXPSJQ-KRWDZBQOSA-N 358.548 2.328 0 40 FEAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 96245436 PFPYAXNDXHVZTL-HUUCEWRRSA-N 350.846 2.183 0 40 FEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc3nccnc3c2)o1 95479845 HPLAFBANRPJIFC-ZDUSSCGKSA-N 370.361 2.130 0 40 FEAB O=S(=O)(C1CC1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216487 KACCBLHAKUAEEM-LJQANCHMSA-N 364.511 2.346 0 40 FEAB COc1cccc(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)c1 96255505 BYEZGAMGWOTLFE-UHFFFAOYSA-N 352.438 2.229 0 40 FEAB COc1cc(N2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)ncn1 247918240 WWCUGJLKNOYOIO-APWZRJJASA-N 356.426 2.335 0 40 FEAB Cc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)oc2ccccc12 257271815 MZXBPGXIMMHSSA-JFIYKMOQSA-N 358.438 2.037 0 40 FEAB CCc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257315130 UZZZLIOUVUTOMG-GFCCVEGCSA-N 358.427 2.216 0 40 FEAB Cc1ccc2nc(C(=O)NCc3ccnc([C@@H]4CCCOC4)n3)cn2c1 257212092 CBXOKDQRVBDBKK-CQSZACIVSA-N 351.410 2.257 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 257259837 LAGXEHIZLOVSTC-SFHVURJKSA-N 356.401 2.158 0 40 FEAB O=C(NCCCc1ccccc1)N1CCN(C[C@@H](O)c2ccco2)CC1 85466871 NAUPUBHNIKJQHE-GOSISDBHSA-N 357.454 2.273 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)CC1 630221311 XKSSDDBTORNSSR-TWLYDYHNSA-N 362.857 2.233 0 40 FEAB CC1(CC(F)F)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 645451169 FRMGEQORIBMWHG-UHFFFAOYSA-N 354.401 2.105 0 40 FEAB O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cc(Br)cc2c1OCCO2 659152619 BLKJHJONNSZNQH-KOLCDFICSA-N 370.199 2.203 0 40 FEAB COc1ccc(CN2CC[C@H](N3CCC(c4cnn(C)c4)CC3)C2=O)cc1 659868683 LVVDOOKNNRSFAW-FQEVSTJZSA-N 368.481 2.409 0 40 FEAB Cc1nnc([C@H]2CN(CCC(=O)N3CCc4ccccc43)C[C@@H](C)O2)o1 661927518 KICGZLRJLZMMDI-CXAGYDPISA-N 356.426 2.119 0 40 FEAB CNc1cnc(-c2noc([C@@H]3CCc4nnn(CC(C)C)c4C3)n2)cn1 1775960517 PSCPVRSXBLFFID-LLVKDONJSA-N 354.418 2.088 0 40 FEAB Cn1nccc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 585091888 AUCPCDWEQKZNIS-AWEZNQCLSA-N 353.419 2.100 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103280625 MLFORHTYVRSPIX-YEPGPPGOSA-N 369.465 2.395 0 40 FEAB CC(C)(C)OC(=O)N1CCc2cc(B(O)OC(C)(C)C(C)(C)O)ccc21 200335037 JSVZDCAUNZLNTH-UHFFFAOYSA-N 363.263 2.238 0 40 FEAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 5268914 GMYPHXVPDLIGOI-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)NCCc2ccc(F)cc2)c1=O 12146597 RMWBRKWKUYPCNA-UHFFFAOYSA-N 372.425 2.052 0 40 FEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@H]1CCOc2ccccc21 13420400 FTLWLWDHGYUUOJ-AWEZNQCLSA-N 357.362 2.412 0 40 FEAB Cc1c(NC(=O)CC2(C(=O)O)CCCC2)c(=O)n(-c2ccccc2)n1C 16482495 OMKUUPUGZUTYHR-UHFFFAOYSA-N 357.410 2.458 0 40 FEAB Cc1ccn(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)n1 19238133 FMOVFTKBBUCCDQ-UHFFFAOYSA-N 365.437 2.459 0 40 FEAB COc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1OC 19568052 PNGSYQXCBZICLR-QGZVFWFLSA-N 354.454 2.477 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCO[C@H]1c1nccn1C 665442838 ONUOZNDVAPHUBW-RHSMWYFYSA-N 357.410 2.275 0 40 FEAB CSc1nc(C)cc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1888896994 WOMFOVXTOXFVSQ-UHFFFAOYSA-N 367.482 2.480 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850009 HJAMEJFCARQCIT-FQEVSTJZSA-N 369.421 2.330 0 40 FEAB CC(C)N1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]2C1 1565546487 CYNQTWPAQFGFJO-DNVCBOLYSA-N 357.454 2.328 0 40 FEAB COc1cccc(NC(=O)CSc2nnc3nc(O)c(C)c(C)n23)c1 4250385 XKXKDPOOEWBMLH-UHFFFAOYSA-N 359.411 2.186 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1C 4373231 FUSDVAWJABYWOT-AWEZNQCLSA-N 366.421 2.329 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499756 OOHDSPYYYYKQDC-UHFFFAOYSA-N 354.391 2.023 0 40 FEAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1 8602051 YIBVAIMSKAFAPP-UHFFFAOYSA-N 362.389 2.443 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CC(C)C)C1 2055751258 AZJIBDAICAUHCN-HXUWFJFHSA-N 361.486 2.268 0 40 FEAB O=S(=O)(c1ccccc1)C1CCN(c2ncnc3ncccc23)CC1 1775974339 XWIYUNSJCXROIN-UHFFFAOYSA-N 354.435 2.468 0 40 FEAB CN(C(=O)c1cn[nH]c1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974781 PRWXGKKOMUFFMU-UHFFFAOYSA-N 370.363 2.106 0 40 FEAB Cc1cc2ncc3c(n2n1)CC[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)C3 618256536 JQTNOUNPOAFGKI-CYBMUJFWSA-N 362.393 2.308 0 40 FEAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 35374848 WNYJHPPZISCSFD-RBUKOAKNSA-N 357.498 2.291 0 40 FEAB O=C(NCCCOCc1ccco1)[C@H]1CCCN(C(=O)c2ccco2)C1 40042655 WUQXNZHWILKOFV-HNNXBMFYSA-N 360.410 2.448 0 40 FEAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2OCCC(N)=O)cc1 40139038 QRYBMVNNDXBFIF-UHFFFAOYSA-N 356.378 2.161 0 40 FEAB CCCNC(=O)CS(=O)(=O)c1nc2c(n1-c1ccccc1)CCCC2 40152147 DHMAMIQDEONPGX-UHFFFAOYSA-N 361.467 2.051 0 40 FEAB COc1cc(C(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C 50821405 WLXYFZFSYTXYPR-UHFFFAOYSA-N 362.407 2.081 0 40 FEAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(Cc1ccccc1)CN2 20572574 OVUJKXZIPPQNSN-UHFFFAOYSA-N 362.433 2.165 0 40 FEAB CNC(=O)c1nc(-c2ccc(COc3ccc4c(c3)OCO4)cc2)no1 32094141 SJGZZPXFXAJKQU-UHFFFAOYSA-N 353.334 2.404 0 40 FEAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCc4ccco4)CC3)nn12 20732344 PNXJNQZWIDFEQU-UHFFFAOYSA-N 368.441 2.374 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)n(-c2ccccc2)n1 21227206 GMQXEFNNZPGIJJ-UHFFFAOYSA-N 369.454 2.094 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)c1 12028900 IUIFFYIYGFWTNT-HNNXBMFYSA-N 359.382 2.244 0 40 FEAB biogenic COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 32843966 XGCZOCBOUWASGO-UHFFFAOYSA-N 361.707 2.447 0 40 FEAB CCN(CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NC 4133746 FPPWOLFMJRTYJC-UHFFFAOYSA-N 360.527 2.485 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCCC1 6426416 DFUFCTRCOUMUCP-CYBMUJFWSA-N 354.472 2.119 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)s1 33048523 DWWZCQIZGOEGAK-UHFFFAOYSA-N 352.437 2.388 0 40 FEAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2ccccn2)CC1 33238062 RANZVKBWCZPTHE-GOSISDBHSA-N 357.841 2.383 0 40 FEAB Cc1ccc(-c2cc(C(=O)NC3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325666 LGULTSVOAIWKLL-INIZCTEOSA-N 373.478 2.419 0 40 FEAB CCCCc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1 8229682 GQRCBEGJNHKCNY-UHFFFAOYSA-N 359.455 2.246 0 40 FEAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1 8476389 BZUGEIPFADQLSN-UHFFFAOYSA-N 366.421 2.364 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 9419005 ZIBLVJPAVSRSNK-NTLWEQJWSA-N 361.401 2.002 0 40 FEAB Cc1cc(NC(=O)CCN(C)Cc2ccccc2N2CCOCC2)no1 24866943 YGFXPGOIJGLBPX-UHFFFAOYSA-N 358.442 2.280 0 40 FEAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2cnc3sccc3c2=O)cc1 25060544 ACYICSWEAMOATF-ZDUSSCGKSA-N 374.418 2.075 0 40 FEAB COc1ccccc1CN(CC(=O)N1CCNC1=O)Cc1cccs1 25393594 VVOQEGHTXAQHAN-UHFFFAOYSA-N 359.451 2.311 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1 56339351 FKJAMUQGKWTLOK-SFHVURJKSA-N 354.406 2.404 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccn(CC)n3)ccc21 57280294 VEGWRKAQPLIJKF-UHFFFAOYSA-N 362.455 2.348 0 40 FEAB CN(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 55221819 AHNXKJIMQVYEJM-UHFFFAOYSA-N 373.478 2.376 0 40 FEAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1)N1CCCC1 58195051 MIGRNCWJROAXAS-HNNXBMFYSA-N 358.410 2.130 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1 58201107 XFPIEHLKYOVHLS-UHFFFAOYSA-N 350.465 2.461 0 40 FEAB CC[C@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2113036 HWZFRSHCTCVURL-LBPRGKRZSA-N 367.785 2.372 0 40 FEAB biogenic CC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1 28040883 KMRYYUSMEPKLMU-UHFFFAOYSA-N 359.451 2.363 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1O 58496514 UEVGEASBZKKOHV-UHFFFAOYSA-N 351.355 2.069 0 40 FEAB COc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(O)cc2)NC(=O)N3C)cc1 2336211 GGTQYGNHFASYAH-SFHVURJKSA-N 365.389 2.398 0 40 FEAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12755906 MVZHRIFSQPGLEQ-SECBINFHSA-N 368.256 2.021 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10929644 HQAJYKLDTVFGBR-SECBINFHSA-N 359.769 2.276 0 40 FEAB COc1cccc(C[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)n2nnnc2C)c1 48302965 DNGWUGKGRFMWCW-QWQRMKEZSA-N 357.458 2.278 0 40 FEAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(CC1CC1)C2 69897945 ZUJOYJYJFNAWKJ-UHFFFAOYSA-N 353.470 2.482 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1COc2ccccc2O1 38622230 IYNAPPLXHWCXII-RHSMWYFYSA-N 374.462 2.078 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)n(C)c1 8881903 YNVUZYJIMROCNJ-UHFFFAOYSA-N 367.446 2.125 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 14136764 GBTYTSZOUMXUIC-GFCCVEGCSA-N 355.847 2.260 0 40 FEAB CN(c1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl)C1CCCCC1 14183587 CCVFIOJRMLLOTL-LBPRGKRZSA-N 359.879 2.025 0 40 FEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 14200844 QIFDWSQNDKTRRV-SFHVURJKSA-N 359.332 2.031 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1 5559483 VPYWJKNNDWQMBL-UHFFFAOYSA-N 369.512 2.330 0 40 FEAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 6882148 CHTTWFRTFVFGMI-AWEZNQCLSA-N 361.467 2.101 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1OC 7776231 LALOOCRZWZPKKN-SECBINFHSA-N 364.427 2.043 0 40 FEAB O=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1ccccc1 96000658 ZFOCSSDNFJBJHL-HNNXBMFYSA-N 354.435 2.238 0 40 FEAB CCn1c(C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc2ccccc21 96001003 HBVALFSDCGCNIV-MRXNPFEDSA-N 370.409 2.404 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1ncc(=O)c2ccccc21 8133082 JITVPGVIQSPHPV-ZDUSSCGKSA-N 362.389 2.160 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 24355031 IDVQHJJYEMGZJJ-UHFFFAOYSA-N 360.391 2.063 0 40 FEAB COC(=O)[C@H](CCN1CCCCC1)NC(=O)CO[C@H]1CCCC[C@H]1C 72306526 CZSRBZWVAKYXSE-IKGGRYGDSA-N 354.491 2.116 0 40 FEAB COC(=O)Cc1csc(N(C)S(=O)(=O)c2cc(C)ccc2C)n1 84146383 WIXDEIQVRBOCQD-UHFFFAOYSA-N 354.453 2.301 0 40 FEAB c1ccc(-c2cc(NC3CCN([C@@H]4CCOC4)CC3)n3ncnc3n2)cc1 84560050 RUDAOVZXDUGXOS-QGZVFWFLSA-N 364.453 2.457 0 40 FEAB CC[C@@H](c1ccccc1)N(CC(=O)OC)CC(=O)N1C[C@H](C)O[C@H](C)C1 84734620 GZZCAQFGQHOHTD-JZXOWHBKSA-N 362.470 2.249 0 40 FEAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN[C@H](CO)c2cnn(C)c2)cc1 95941433 YZKUQQNPDLRWPO-DNVCBOLYSA-N 358.486 2.119 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(CC3CC3)C[C@@H]1C2 306124721 BXRYBRDQIMXSTM-UONOGXRCSA-N 355.417 2.184 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CC(c2cccc(F)c2)=NO1 36833002 UEDREZMZWCGABO-RDTXWAMCSA-N 356.353 2.275 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 306133246 MGRMYTMTVZARBT-DLBZAZTESA-N 374.448 2.230 0 40 FEAB Cc1ccc(N2C(=O)CN(C3CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773621 QXMMZIOODFYFSW-ZWKOTPCHSA-N 362.495 2.142 0 40 FEAB COc1cccc(CN2CCC[C@H](NC(=O)c3cnn4cccnc34)C2)c1 72462994 WASPFZPKXOJOIO-INIZCTEOSA-N 365.437 2.132 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)[C@@H](C(=O)O)C1 566689504 PSPPEHHTZCCDKK-XJKSGUPXSA-N 361.373 2.024 0 40 FEAB CCOCCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217566209 XSHVEUYPMJZORD-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nnnn1Cc1ccc(C)cc1 35314277 LAOKZFPJYAVAHH-YQQQUEKLSA-N 368.485 2.051 0 40 FEAB CCNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2OC)CC1 225489627 HCDFDPRJMKTYRD-UHFFFAOYSA-N 354.454 2.354 0 40 FEAB CCCCOc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1 224169735 BHBJXSSSMGABRN-UHFFFAOYSA-N 370.453 2.422 0 40 FEAB Clc1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 498872237 BQHLHQRQJIGSLZ-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB COc1ccccc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C)cc1 225162625 MVHKGLSQSQCMGP-MRXNPFEDSA-N 363.435 2.320 0 40 FEAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(CCc3ccccc3)CC1)C2 225518637 LLKBSCYNZHAURV-SFHVURJKSA-N 352.482 2.210 0 40 FEAB Cn1ccnc1CN1CCOC[C@@]2(C[C@H](CNc3ccccc3)CO2)C1 96240414 OWJVHMMTWBUSTI-YLJYHZDGSA-N 356.470 2.140 0 40 FEAB CC(C)Cn1nc(CC(=O)NCc2cccnc2)c2ccccc2c1=O 95480380 PHZQMOWXAZVUCQ-UHFFFAOYSA-N 350.422 2.306 0 40 FEAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 96042954 MWSUBNRODVMWIK-SLFFLAALSA-N 358.482 2.209 0 40 FEAB COc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)cc1 96230258 PRJKWQSRSKWUNV-UHFFFAOYSA-N 359.514 2.460 0 40 FEAB CC(=O)N1CCOCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 96240056 SWZOOZUVJXEMRH-UHFFFAOYSA-N 350.846 2.441 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247902775 WFGGEIYKIDHRDN-GOSISDBHSA-N 362.470 2.267 0 40 FEAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1cccc(C(F)(F)F)c1 257276826 NVHGCXXSNOEECW-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnccn2)CC1 257307941 TUUNEGGIZFUEAW-GPMSIDNRSA-N 367.453 2.285 0 40 FEAB COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)c1cn(C)nc1C 257341074 ZISVMHSHTIBHEV-MRXNPFEDSA-N 351.410 2.331 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)c1 253602218 LAEJXPGLOBVETF-SFHVURJKSA-N 353.422 2.375 0 40 FEAB COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cnc3n[nH]c(C)c3c2)c1 282523638 OWHFAKBZSJKVHK-PBHICJAKSA-N 352.394 2.223 0 40 FEAB CC(C)[C@@H](CN=c1c(C(=O)O)c[nH]c2ccccc12)N1CCN(C)CC1 649384368 UYQSLVXZAOLCNK-GOSISDBHSA-N 356.470 2.039 0 40 FEAB Cc1nc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)sc1C(=O)O 679399369 YPYSTUVXLBBIAP-UHFFFAOYSA-N 359.411 2.405 0 40 FEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(OC)c2cccnc12 654772426 KXVIQIOLLORAHH-NSHDSACASA-N 352.412 2.117 0 40 FEAB CO[C@]1(COc2cccc(C)c2)CCCN(C(=O)c2cncnc2O)C1 585275654 CXLVMJYZGIUYJZ-LJQANCHMSA-N 357.410 2.191 0 40 FEAB Cc1oc2c(c1C(=O)N1CCC[C@H](c3cc(C(N)=O)n[nH]3)C1)CCCC2 585271248 LWGASEGRFJTZRT-LBPRGKRZSA-N 356.426 2.309 0 40 FEAB NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cn1ccc2ccccc21 685941804 IRCIPDYCBLPMKY-INIZCTEOSA-N 351.410 2.217 0 40 FEAB Cc1nccn1C[C@@H]1CCCN1C(=O)c1cnc(C2CCN(C)CC2)[nH]1 685941695 GCFDVQUDFOPZNB-INIZCTEOSA-N 356.474 2.029 0 40 FEAB COc1ccc([C@H](NC(=O)c2ccncc2)c2nccn2C)cc1OC 12221709 QBLZXETYAFSFGP-KRWDZBQOSA-N 352.394 2.352 0 40 FEAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CC[C@@H]1C2 13320707 ARQDFFWTCTZARQ-CIRFHOKZSA-N 360.429 2.217 0 40 FEAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCN(C)C 13670954 BXSWHZMIMNLGJD-UHFFFAOYSA-N 361.467 2.087 0 40 FEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(C)=O)cc1 19767178 ORKMUXXRPOCEAY-GOSISDBHSA-N 368.437 2.407 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@@]12CCCC[C@H]1C2(F)F 665763011 XEODLYHAEPELES-HIFRSBDPSA-N 374.409 2.497 0 40 FEAB COC(=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(OC)=C1c1ccc(O)cc1 31156922 DYMYDSWEIIXYNX-FQEVSTJZSA-N 370.357 2.167 0 40 FEAB biogenic,in-vitro Cc1nnc2ccc(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)nn12 1888888252 YRCUCALYWPBDPD-UHFFFAOYSA-N 374.807 2.188 0 40 FEAB O=C(c1cc[nH]n1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542843 XTBVHDPOBAFNLO-MJGOQNOKSA-N 356.426 2.033 0 40 FEAB CCCCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1 4271716 DASDCIQDFRPIRX-UHFFFAOYSA-N 371.466 2.057 0 40 FEAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 9519142 ILCATQRLHUMWEW-AWEZNQCLSA-N 373.501 2.486 0 40 FEAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccccn1 12069873 VDRZXBZOGXEQEP-UHFFFAOYSA-N 367.380 2.428 0 40 FEAB CN([C@H]1CCCN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1 2086889234 UCOWRXOILGPEGJ-AWEZNQCLSA-N 350.488 2.137 0 40 FEAB COc1ccc(CCNC(=O)c2c(O)c3sccc3[nH]c2=O)cc1OC 49409439 CWNYGZGYZREWKP-UHFFFAOYSA-N 374.418 2.285 0 40 FEAB Cc1cc(NC(=O)Cn2nc(C(F)(F)F)nc2N)c2ncccc2c1 19654767 QLNIFKFOVIQGEP-UHFFFAOYSA-N 350.304 2.374 0 40 FEAB O=C(CCC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40030785 CDFRNSBAODOGOV-UHFFFAOYSA-N 371.547 2.222 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N(C)C1CCCCC1 40061725 TXYYHWRTCDAOET-HNNXBMFYSA-N 354.472 2.268 0 40 FEAB O=C(NCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccs1 40153262 FUMHBZNHWUUVQV-UHFFFAOYSA-N 370.434 2.387 0 40 FEAB O=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2Cl)CC1 20102749 NTSVWDBQEPEIJY-UHFFFAOYSA-N 365.905 2.000 0 40 FEAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 51163213 DHSMTWMCSUOOJJ-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB O=C(CCC(=O)NC[C@@H]1COc2ccccc2O1)NCc1ccccc1 20726262 AUVOMFAZCFVMJU-MRXNPFEDSA-N 354.406 2.039 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29506574 BGHHEORWDFFDAO-MSOLQXFVSA-N 372.465 2.327 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)CC1 29842274 QRLCOABJHOCSTF-CYBMUJFWSA-N 363.462 2.051 0 40 FEAB CC(C)(C)c1csc(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)n1 79485441 ZTZYRWCWNBVLIQ-INIZCTEOSA-N 370.482 2.375 0 40 FEAB Cc1c(C(=O)O[C@@H](C)C(=O)NC(N)=O)oc2ccc(Br)cc12 3522842 OEZMHSPAWSECOY-ZETCQYMHSA-N 369.171 2.244 0 40 FEAB O=C(NCCOc1ccccc1F)c1cccc(N2C(=O)CCC2=O)c1 32999735 DMLVWCJSKXBQSQ-UHFFFAOYSA-N 356.353 2.288 0 40 FEAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(C[C@H]1CCOC1)C3 100182225 RFYDAUGPZYQNIN-CYBMUJFWSA-N 354.410 2.398 0 40 FEAB CC(C)[C@H](CNC(=O)CCn1ccc2ccccc21)N1CCN(C)CC1 42582795 JXDCKLQMDVUDST-FQEVSTJZSA-N 356.514 2.420 0 40 FEAB CCCN(Cn1nc(C2CC2)n(CC(N)=O)c1=S)CC(F)(F)F 54470278 QAPSLRLDTFYZNX-UHFFFAOYSA-N 351.398 2.009 0 40 FEAB CSCC[C@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 9156685 BXRLEMJTNJGFPM-HNNXBMFYSA-N 356.451 2.335 0 40 FEAB CCOC(=O)c1c(NC(=O)CSC2=NCCN2)sc2c1CCC2 26441703 SDIIHYHFZBGYIN-UHFFFAOYSA-N 353.469 2.044 0 40 FEAB CN(C(=O)c1cc2cc(Br)ccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 25676704 DFBIRJNQGQZQMX-LLVKDONJSA-N 371.256 2.190 0 40 FEAB COC(=O)N(C)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 56450053 PSXNIZNKMWIMCA-UHFFFAOYSA-N 366.381 2.046 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1C(=O)O 26539653 VDQUGCJSEAMTTD-UHFFFAOYSA-N 358.379 2.075 0 40 FEAB CNC(=O)c1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)C2CC2)cc1 44543631 HJVNWHPQKFILIX-IBGZPJMESA-N 366.417 2.377 0 40 FEAB NC(=O)COc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12548914 KDFVWCSAKSZREX-UHFFFAOYSA-N 351.406 2.326 0 40 FEAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(NC(=O)N2CCOCC2)C3)cc1 100423493 ZVQSWBYJPRKCNG-QZTJIDSGSA-N 359.470 2.232 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)C1 3296168 RLBVHGHBWXSRPU-HUUCEWRRSA-N 358.438 2.475 0 40 FEAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 101360287 VZPFGJLFJNPDHJ-NPSOMJIGSA-N 353.403 2.068 0 40 FEAB CCOc1ccc(C(=O)N2CCC[C@H](c3ccnc(COC)n3)C2)cn1 58296212 CBOQQRQWSWYGHS-HNNXBMFYSA-N 356.426 2.437 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2)C1 27902217 KZDIATDGTNFWBV-GOSISDBHSA-N 363.417 2.456 0 40 FEAB COC(=O)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 58431930 MTWHELGJNHZFOB-UHFFFAOYSA-N 356.220 2.075 0 40 FEAB Cc1nc(C(=O)Nc2cc(F)cc(F)c2)nn1-c1nnc(C(F)(F)F)[nH]1 72259915 ZAPCJRRWSIEKOG-UHFFFAOYSA-N 373.245 2.243 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCCC2)C1 58919392 DHZAXCDBWTUTOV-HNNXBMFYSA-N 350.484 2.181 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1cn4ccccc4n1)(C3)C2 28833140 MFMFWVOSQHJEJR-XBLGPDGASA-N 366.465 2.426 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)cc1 3419908 HBIIWZWLLJZQTG-UHFFFAOYSA-N 368.499 2.449 0 40 FEAB Cc1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1Cl 5093562 GQLWAFREADPBLJ-NVNXTCNLSA-N 359.838 2.348 0 40 FEAB O=C(COC(=O)c1c[nH]c2ccccc12)NC[C@H]1COc2ccccc2O1 6115169 KMKJWHLLVWJXGR-ZDUSSCGKSA-N 366.373 2.281 0 40 FEAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 6218253 BGSRZJVAJYXWIM-OAHLLOKOSA-N 368.231 2.417 0 40 FEAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 13943782 GGAIISWAPSYOSW-UHFFFAOYSA-N 371.412 2.130 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O 6679066 HWGMCCDWRSZWFG-UHFFFAOYSA-N 373.434 2.200 0 40 FEAB CC[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6784892 WBKGJHOCINBDKK-KGLIPLIRSA-N 353.488 2.186 0 40 FEAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66480921 IICKTYHKHIUTKL-QAPCUYQASA-N 362.445 2.244 0 40 FEAB CC(C)CCNC(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 7509324 HBCNSHPSIRCIBM-AWEZNQCLSA-N 369.849 2.145 0 40 FEAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(SC(F)F)cc1 16045214 MKNYDHKICJEFSQ-UHFFFAOYSA-N 354.334 2.485 0 40 FEAB O=C(C[C@H]1C=CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8071870 BBFQFTIHXJYMCX-AWEZNQCLSA-N 350.440 2.002 0 40 FEAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(CO)c1 8032027 YWFWXSPRMRJZBO-IBGZPJMESA-N 356.422 2.337 0 40 FEAB COC(=O)NCCCc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)no1 96009124 YDOUVXVTBNSJEH-LLVKDONJSA-N 354.407 2.430 0 40 FEAB COc1cc(CNc2ccc(S(C)(=O)=O)nc2)cc(OC)c1OC 95949708 SRUWWJWXEWZPDE-UHFFFAOYSA-N 352.412 2.123 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC([C@H](O)c3nccn3C)CC2)c1C 89925070 QNAQRGHTUWHXLZ-IBGZPJMESA-N 372.469 2.196 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 408594139 SMSMYJHFSPWEHO-OQLLNIDSSA-N 370.336 2.382 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38833262 ICGALUMPQBUCDO-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)n1 408620532 JWIZOZJLUNFRNQ-UHFFFAOYSA-N 373.269 2.763 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1O 79473739 DGJSCUWDWNZUKQ-HNNXBMFYSA-N 368.437 2.251 0 40 FEAB CS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)nc3ccccc23)CC1 32771024 UZECSSAMUPNPJA-UHFFFAOYSA-N 373.478 2.266 0 40 FEAB NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 218389239 QIZZQDQJMCKMSM-JKSUJKDBSA-N 350.871 2.184 0 40 FEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)N1CCN(c2ccccc2)CC1 72404356 KETRWXAYVBCBBW-UHFFFAOYSA-N 374.444 2.259 0 40 FEAB N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccnc3nccn23)C1 72360634 PILMTQFWRSNISG-NVXWUHKLSA-N 367.428 2.144 0 40 FEAB O=C(Cn1cccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471727 DCUUPZVVJJDAJN-UHFFFAOYSA-N 354.332 2.367 0 40 FEAB CN(Cc1ccccc1)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946867 OUOMXFLPLBWWIJ-QGZVFWFLSA-N 364.442 2.465 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)c4ccco4)CC3)OCC2=O)n1 96062182 PVYVISCLFHZALC-UHFFFAOYSA-N 369.421 2.017 0 40 FEAB COc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1 96099854 OWUUUXVRERIOPN-UHFFFAOYSA-N 353.469 2.099 0 40 FEAB CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)C3CCOCC3)CC2)C1 96048041 PWFQLRISSQLRMS-KRWDZBQOSA-N 362.470 2.288 0 40 FEAB Fc1cnc(N2CCC3(CC2)COCCN(Cc2cccnc2)C3)nc1 96239922 AQSWYDMWYVPOHZ-UHFFFAOYSA-N 357.433 2.130 0 40 FEAB Cc1ccsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 96108512 BETKIDRCYHLAAB-APWZRJJASA-N 357.479 2.330 0 40 FEAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 248126742 LZLMBOGQMMHZBA-QGZVFWFLSA-N 366.465 2.230 0 40 FEAB Cn1ccc(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2F)n1 257244825 IMZQLXAQZOZUBT-PXNSSMCTSA-N 370.428 2.355 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCc2ccccc2)n1 257205677 BACKNUHQXIPNGV-IBGZPJMESA-N 352.438 2.409 0 40 FEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccc(C(=O)O)cc3)nc(C)n2)C1 257344503 ZXPWDRHFLGPRQL-OAHLLOKOSA-N 355.394 2.113 0 40 FEAB CN1CCC(N2CC[C@@H](NC(=O)c3ccc(-c4csnn4)cc3)C2)CC1 625518876 DZOYSZKIANOVLE-MRXNPFEDSA-N 371.510 2.103 0 40 FEAB COCc1csc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](OC)C2)n1 626412194 QAPDKSBCVNGTHY-MJBXVCDLSA-N 354.476 2.053 0 40 FEAB O=S(=O)(CCC1Cc2ccccc2C1)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 631956800 KEILLMTVXNFJFP-MTQWCTHYSA-N 360.523 2.051 0 40 FEAB O=C(O)c1ccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)nc1 647737983 MQSKGMGNDSKVKF-UHFFFAOYSA-N 354.410 2.485 0 40 FEAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC(C)C 585097601 NJDBWZJREAKTMM-MRXNPFEDSA-N 358.442 2.374 0 40 FEAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc(N2CCCC2)cc1 585277612 JFSYHDJITTUWEM-FQEVSTJZSA-N 359.470 2.044 0 40 FEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)CCc4cncnc4)CC3)O2)n1 585113506 UTGKVKUIGRSXRT-HNNXBMFYSA-N 357.414 2.014 0 40 FEAB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2nc[nH]c2C(F)(F)F)C3)n1 685941857 COKGACYPQFQMSA-XPTSAGLGSA-N 355.320 2.314 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)NC[C@@H]3CCC[C@H](C)O3)CC2=O)c1 685938991 SNRMEDWJRHDBEE-VBQJREDUSA-N 361.442 2.057 0 40 FEAB O=C(C1CCN(C(=O)[C@H](c2ccccc2)C2CC2)CC1)N1CCOCC1 62274980 BIVAUZPZYSGZLN-LJQANCHMSA-N 356.466 2.278 0 40 FEAB C[C@H](N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)C1(C)CC1 75108231 RTQJWDRNZRTULV-ZDUSSCGKSA-N 353.488 2.070 0 40 FEAB CNC(=O)[C@@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 97569818 FPXOSZYTAMIZIW-SECBINFHSA-N 368.352 2.082 0 40 FEAB O=C(Nc1cccc(F)c1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188781 PTULMMPWLRRLNJ-CYBMUJFWSA-N 363.414 2.123 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCOC3)nn2c1O 12161804 VJYMLSSVDYGGDF-CZUORRHYSA-N 358.442 2.396 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3[nH]2)cc1 17303915 VYKCVPNGZJEFMC-UHFFFAOYSA-N 358.423 2.131 0 40 FEAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N3CCC[C@@H](C)C3)n2)c1 18664640 YJDWFYBOQYTEGZ-CQSZACIVSA-N 371.441 2.164 0 40 FEAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O 19237623 AHPPFQZHCMTNRN-HNNXBMFYSA-N 354.435 2.108 0 40 FEAB CCCc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 19525776 UINHDFBJRXEJBJ-QHAWAJNXSA-N 366.509 2.291 0 40 FEAB CCCn1cnc(NC(=O)c2ccc(-c3cccc(OC)c3)[nH]c2=O)n1 19660192 CEQWKAACUOWHHW-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)CC1 19711243 YYJMJBWRRGTPNS-UHFFFAOYSA-N 373.501 2.317 0 40 FEAB CN(C)CC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCC1 643558156 KKIRBYRLOLIQTP-UHFFFAOYSA-N 367.877 2.023 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888906604 FZVZKBCJBYYQMM-SCLBCKFNSA-N 351.414 2.137 0 40 FEAB COc1cc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)cc(OC)c1 1889138959 REROVKSXIFMLAR-INIZCTEOSA-N 364.511 2.491 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)nc1 1889148748 VJPBMGUHUQFTIW-OAHLLOKOSA-N 368.437 2.297 0 40 FEAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)nn(C)c2C)c1 1889149126 WLJCCIFHMHTVNG-XYPWUTKMSA-N 363.487 2.099 0 40 FEAB Cn1cncc1C(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087132269 VIKTYTPSERQDMA-SMDDNHRTSA-N 365.359 2.185 0 40 FEAB O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)C1(F)CC1)CC2 1565547692 MBKJKOJEQABIBV-UHFFFAOYSA-N 355.413 2.305 0 40 FEAB COc1ccc(CCNC(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 4316953 RZTFBHAVNGATFK-UHFFFAOYSA-N 373.478 2.108 0 40 FEAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 9036939 BVJHJINMXOWUIM-AWEZNQCLSA-N 362.426 2.466 0 40 FEAB CCCn1cc(C(=O)NCCCOC)c2nn(-c3ccccc3)c(=O)c-2c1 9661501 SBHUUJQTFYMYEY-UHFFFAOYSA-N 368.437 2.315 0 40 FEAB CNC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1 11695027 FVXGDZCOBZZOSU-UHFFFAOYSA-N 350.421 2.135 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C2CCC2)C1 2055754555 AJEAXBXALFDTRP-FQEVSTJZSA-N 359.470 2.022 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 44356834 UKCPSWXROICJBD-SNVBAGLBSA-N 357.482 2.234 0 40 FEAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccsc1 40120909 JMAJYKGFPXMXJY-HNNXBMFYSA-N 358.529 2.215 0 40 FEAB NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2F)c1 29680347 JBYZAYRFJRUHNV-UHFFFAOYSA-N 356.806 2.099 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11859899 MJFQMQCKFRMQEL-ZAPJKBGESA-N 363.410 2.330 0 40 FEAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2cccs2)CC1 29757158 QSSUIMVGDWITDD-MRXNPFEDSA-N 371.510 2.099 0 40 FEAB CSc1nc(O)cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)n1 32718902 LLTJNCFSUGMQEB-UHFFFAOYSA-N 358.467 2.429 0 40 FEAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 8327918 KKPHFAHPEFHHOS-BLLLJJGKSA-N 373.482 2.460 0 40 FEAB O=C(C[C@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 1623978 ADNPZYGKSDNZHO-AWEZNQCLSA-N 364.810 2.463 0 40 FEAB CCO[C@H]1CCC[C@H](n2cnc3c(I)ncnc32)O1 1677271 XQWOMJKBDAYVKF-RKDXNWHRSA-N 374.182 2.493 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)CC2 78875325 OIRNOEGHQADULY-DLBZAZTESA-N 374.437 2.427 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 79501578 WUDFVYCPBLMLAC-QWHCGFSZSA-N 352.866 2.420 0 40 FEAB NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 41179000 VGQWZYWEGKZISU-AWEZNQCLSA-N 373.409 2.216 0 40 FEAB O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc(Br)c1 3331590 RMSKNTRWKRIKEV-UHFFFAOYSA-N 369.240 2.366 0 40 FEAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)sc2cccc(F)c12 21605496 HRXPVCQSKGSHDC-SECBINFHSA-N 350.371 2.446 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2[nH]cnc2c1 12110054 XWXMDABCDCHURR-UHFFFAOYSA-N 356.407 2.355 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 12196526 SAUHPDPXDQXEQE-HNNXBMFYSA-N 366.414 2.136 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 6879426 NOFKQBJJZJGAFU-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB NC(=O)CN1CCCN(c2ncnc3scc(-c4ccccc4)c23)CC1 54389049 BSQSTOIETDTVMX-UHFFFAOYSA-N 367.478 2.356 0 40 FEAB CSc1cccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)c1 12427862 UQTHBDYONIABLH-UHFFFAOYSA-N 361.452 2.109 0 40 FEAB biogenic,in-vitro CN(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(F)c1 22754690 JTZORTHRQAHRFE-KRWDZBQOSA-N 368.412 2.105 0 40 FEAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccccc2F)CC1 24165555 DSBAUIZWBQGZFC-CQSZACIVSA-N 370.428 2.074 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1ccccc1Br 3292611 CNFADCBTZUPGCU-UHFFFAOYSA-N 372.215 2.065 0 40 FEAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C[C@H](C)O1 3242969 SJVDFYRIXQUXOH-IUCAKERBSA-N 361.225 2.368 0 40 FEAB O=C(CNc1ccccc1N1CCC(O)CC1)NC(=O)Nc1ccccc1 55887896 IVVOLTBYNOPDIA-UHFFFAOYSA-N 368.437 2.408 0 40 FEAB COc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 20495467 XAVGVBNCQBMRCC-GFCCVEGCSA-N 355.394 2.292 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1nc(-c2cccs2)no1 24726728 PDVRZQBYZPWDQH-NSHDSACASA-N 351.428 2.435 0 40 FEAB Cc1ccc(-c2nc(C(=O)N(CCN(C)C)CCN(C)C)cs2)o1 72255159 VPPUTHUMAYJJSL-UHFFFAOYSA-N 350.488 2.277 0 40 FEAB C[C@@H]1CN(C(=O)CCNC(=O)C2(c3cccc(F)c3)CCC2)C[C@@H](C)O1 58264610 LRGRTADZBZCWMJ-HUUCEWRRSA-N 362.445 2.390 0 40 FEAB Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCCO1 58217415 HJAFAWGLCTVPSN-ZDUSSCGKSA-N 355.232 2.381 0 40 FEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2 45075295 IFWWBLAZWZVCDR-CQSZACIVSA-N 356.463 2.291 0 40 FEAB Cn1ccnc1CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CC1 48362963 UHLJYKRTYCEQID-OAHLLOKOSA-N 356.451 2.414 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2cccnc2)N=C1O 36585705 ORIPGDZWSHVNSW-PBHICJAKSA-N 366.421 2.364 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 12829669 NAKUDQYPFXYVET-CQSZACIVSA-N 362.382 2.294 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)O 12896976 XFRFANNACSSJLF-BZNIZROVSA-N 350.415 2.271 0 40 FEAB biogenic COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1C 3544327 JEQHNDUCJGTJNY-QWRGUYRKSA-N 350.415 2.364 0 40 FEAB COc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1NC(C)=O 3547629 KOTIKPMXVYPFJK-UHFFFAOYSA-N 352.387 2.271 0 40 FEAB COc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 12997387 XCPOMLTWLWWTIJ-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H](N2CCNC2=O)C1 64373128 YYYYGKFWGXCFJH-IJDCCNJMSA-N 350.422 2.264 0 40 FEAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccccc1 65197778 JZABBAJITNFBRV-UHFFFAOYSA-N 368.368 2.381 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nnc2nc(C)cc(C)n12 5213449 VYSNLUULAHZQJZ-UHFFFAOYSA-N 371.422 2.259 0 40 FEAB Cc1cc(C)c(OCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 6551964 KIDQHJYKEIPMND-UHFFFAOYSA-N 370.405 2.271 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 96001030 OTYGJFUYUXKPAJ-HNNXBMFYSA-N 362.430 2.429 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2cccs2)noc1=O 6818527 STZPXJZQZUPZGK-UHFFFAOYSA-N 373.390 2.380 0 40 FEAB Cc1nn(C)c(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9050338 ATQXNQSBZOMPTQ-UHFFFAOYSA-N 362.455 2.074 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 15762566 NPLJEOSRZNODTM-ZIAGYGMSSA-N 352.456 2.295 0 40 FEAB Cn1cc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cn1 71279526 DKABBULKZPLLRW-UHFFFAOYSA-N 368.846 2.256 0 40 FEAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1 9238697 OFVRLJSGYGIOPS-HOTGVXAUSA-N 373.482 2.367 0 40 FEAB Cc1ccc2nc(CSc3nnnn3Cc3cccs3)cc(=O)n2c1 9255710 VCBPOAUZJZPZHW-UHFFFAOYSA-N 370.463 2.392 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(C)c1 8233427 JOZOIFAOLFGTSK-CQSZACIVSA-N 370.405 2.304 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2NC1=O 72292733 YRGRNHBVDKCMRW-ZDUSSCGKSA-N 372.446 2.466 0 40 FEAB COc1cccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)c1 9482864 PVWJGUNUBJOMIX-HNNXBMFYSA-N 357.366 2.128 0 40 FEAB Cc1cc(O)nc(SCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 9833269 SWXNLQQBTHOGKY-UHFFFAOYSA-N 366.406 2.205 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1(c2ccccc2)CCC1 84525166 ITOYNCKWXBWIDX-UHFFFAOYSA-N 355.438 2.437 0 40 FEAB Cc1ccc2c(c1)[C@]1(N[C@@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 95346213 YYDFFHKIEHTPIA-VCAMNPENSA-N 369.465 2.170 0 40 FEAB O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCC1CCCCC1 75636437 TTWRCTFVSQEPDC-UHFFFAOYSA-N 361.461 2.280 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1 217664010 NZEBLXOHRWRMBM-NSHDSACASA-N 356.444 2.053 0 40 FEAB CC[C@]1(c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)CCC(=O)NC1=O 71281503 WVPFXTRAQOLAMI-BXTJHSDWSA-N 372.421 2.066 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)Cc1ccco1)C2=O 39543963 IWGYIRVFRZCSJH-YJYMSZOUSA-N 361.442 2.375 0 40 FEAB Cc1cnc(-c2nc(N3CCN(C)CC3)ncc2-c2onc(C)c2C)cn1 72337661 PBYGQGTZHFPYIS-UHFFFAOYSA-N 365.441 2.266 0 40 FEAB COCCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cn1 225916251 JYNPWTQCIDMMLB-UHFFFAOYSA-N 350.415 2.369 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(C)c2)ccc1OC 223876743 LPDLNLPRQAGTOU-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB CCn1c(=O)sc2cc(NS(=O)(=O)c3c(C)noc3C)ccc21 225125137 RNTQOKUYCCGOQX-UHFFFAOYSA-N 353.425 2.489 0 40 FEAB C[C@@H]1Cc2c(NC(=O)c3cc(-c4cccs4)n[nH]3)nn(C)c2NC1=O 44213417 HLXAGSNRRXJPFN-MRVPVSSYSA-N 356.411 2.255 0 40 FEAB CN1CCN(CCCCNC(=O)c2ccc(F)cc2Br)CC1 41361810 VBSBFIIBNRXTOR-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB CSc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)c1 95474596 GCVSRSULWZVKNU-LBPRGKRZSA-N 369.454 2.096 0 40 FEAB C[C@@H]1C[C@@]2(CCO1)CN(S(=O)(=O)CC1CC(F)(F)C1)C[C@@H](C)O2 578293626 DDKUQTZKCSHBBF-BZPMIXESSA-N 353.431 2.020 0 40 FEAB O=C(c1cccnc1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239726 WDLTZUHAZSQQCI-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(OC)cc4)C[C@@H]32)N=C1C 96261500 PTILFLRYUSOPHC-SLYNCCJLSA-N 371.481 2.183 0 40 FEAB CCN1CCC[C@@H](CN(C)C(=O)c2ccc(O)nc2)[C@@H]1c1cnn(C)c1 583622932 HKJPVWQLVRVHJX-MAUKXSAKSA-N 357.458 2.066 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)CN1c1ncccn1 96051818 AQUUGNSYEHATIW-KRWDZBQOSA-N 367.453 2.019 0 40 FEAB c1cncc(CN2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)c1 96263369 OGURNLJWRPDZMQ-UHFFFAOYSA-N 360.465 2.435 0 40 FEAB CCS(=O)(=O)C(Br)(Br)C(=O)C(C)(C)C 96518497 QGUAQHLAKIFHKZ-UHFFFAOYSA-N 350.072 2.480 0 40 FEAB Nc1cc(CC[C@H]2CN(C(=O)COc3ccccc3F)CCO2)ccn1 257326310 WWSHUOXICPXJHP-HNNXBMFYSA-N 359.401 2.042 0 40 FEAB NCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 257248835 JFKRYLXODGIPBR-VAMGGRTRSA-N 370.449 2.115 0 40 FEAB COC(=O)Nc1c(C)c(NC(=O)OC)c(C)c(S(=O)(=O)N(C)C)c1C 255190734 ZCCRDLYPBCPKJQ-UHFFFAOYSA-N 373.431 2.219 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cn1 257267296 MGQYSQJPVYXLNH-HNNXBMFYSA-N 356.474 2.272 0 40 FEAB Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257325484 WTBSHWRRXADLKK-IBGZPJMESA-N 358.417 2.028 0 40 FEAB CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 267608059 KJVCQYRTTKLCHN-JQLIAFOBSA-N 351.394 2.098 0 40 FEAB Cc1cc(N2CC[C@@H](c3n[nH]cc3CNC(=O)C3CC(C)C3)C2)ncn1 1775960149 VDTQSGYGWVMRHU-HNFVBEJKSA-N 354.458 2.164 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCc3ccccc3NC2=O)c1 1628117337 YPLQTBZHJMTGJQ-INIZCTEOSA-N 365.389 2.200 0 40 FEAB CC(C)CCN1CCC(CNC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)CC1 626757040 YJHDYJQDIAICQC-DOTOQJQBSA-N 353.507 2.497 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)[C@H]1n1cccn1 664969807 JDRSIGUPNLXPNJ-JWXAEQQXSA-N 370.428 2.378 0 40 FEAB CC(C)c1ncc(S(=O)(=O)N2CCC[C@H](c3nncn3C(C)C)C2)[nH]1 678802384 PUEUKHLPMJZVOF-ZDUSSCGKSA-N 366.491 2.274 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)no1 575187850 YBNPZNYKUBCKAK-ZDUSSCGKSA-N 356.386 2.779 0 40 FEAB CCN(C)C[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)CO1 585104140 LVXWYKQANAUDKP-INIZCTEOSA-N 352.500 2.198 0 40 FEAB CC(C)c1ncc(S(=O)(=O)N(C)c2cccc(CCC(=O)O)c2)[nH]1 680021204 XISPZGHSTCNRJN-UHFFFAOYSA-N 351.428 2.375 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccsc2)N(C)C)C1 46214078 DDQVMVAHINQIDO-GOEBONIOSA-N 351.516 2.362 0 40 FEAB C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 50140946 ANTTWPIUAZKWSG-CYBMUJFWSA-N 370.388 2.068 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2coc(-c3cccnc3)n2)CC1 1529940758 CDBSCKUSLBRCSM-UHFFFAOYSA-N 362.389 2.335 0 40 FEAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 5001475 WYUYBVAMWQRZCI-CQSZACIVSA-N 366.512 2.246 0 40 FEAB CCOC(=O)c1sc(Nc2nc(NC3CC3)nc(N(C)C)n2)nc1C 5051190 CEQOUJYHAXGSEY-UHFFFAOYSA-N 363.447 2.197 0 40 FEAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCCC1=CCCCC1 11101125 KWXDOKJKWDXQAW-UHFFFAOYSA-N 361.833 2.089 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1 12142292 NTJBZMFOQKCHOY-ZDUSSCGKSA-N 352.373 2.179 0 40 FEAB CC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 14731074 LLXLBSBWEFGNQR-UHFFFAOYSA-N 365.499 2.132 0 40 FEAB COC(=O)CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 15425834 VWPNMUNRVGOEFV-UHFFFAOYSA-N 361.398 2.496 0 40 FEAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)N(C)C 15564271 CDJDARWTJSNVSA-UHFFFAOYSA-N 370.377 2.476 0 40 FEAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(C(=O)O)nn12 17075020 HNKAIBBDYSYXHH-UHFFFAOYSA-N 365.271 2.402 0 40 FEAB O=C(c1ccccc1Cn1cncn1)N1CCC(Oc2cccnc2)CC1 19349811 GKVIWHZXDHXSLP-UHFFFAOYSA-N 363.421 2.405 0 40 FEAB CSc1nnc([C@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)n1C 19457332 SYDCIOSZKVUUOK-ZYHUDNBSSA-N 368.894 2.387 0 40 FEAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H]4CCCO4)nn3cn2)cc1 19575514 SZNMEMISJLVCLU-WBMJQRKESA-N 367.409 2.156 0 40 FEAB COCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19584252 ILIAITVWNHYJBI-KRWDZBQOSA-N 354.454 2.466 0 40 FEAB COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c1 19587975 QHXSWCWSPIRWRQ-MRXNPFEDSA-N 366.465 2.032 0 40 FEAB Cc1cc(OCC(=O)N2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)ccc1Cl 1888860197 UPERKPJFCJJHKS-GJZGRUSLSA-N 372.856 2.412 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1CCC(C(=O)N2CCOCC2)CC1 31279967 KXSTZSGZNPSWMF-UHFFFAOYSA-N 366.461 2.480 0 40 FEAB O=C(CSCc1ccccc1)NCCn1ccc(-c2cnccn2)n1 239579060 DEEWQJYMDNBGJG-UHFFFAOYSA-N 353.451 2.390 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 244983817 ISJGDIULGGMPOM-SRTKAIALSA-N 367.373 2.161 0 40 FEAB O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCc2[nH]nnc2C1 291850311 DNJXPIRTFDWXFC-MSOLQXFVSA-N 367.497 2.328 0 40 FEAB Cc1nc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)c2ccncc2n1 2087050550 SLHVPHIHNQLVNA-UHFFFAOYSA-N 374.452 2.319 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2cccnc2)cs1 4138504 CNBSVWXZTSJMCZ-UHFFFAOYSA-N 364.386 2.440 0 40 FEAB Cc1cc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)on1 12422473 QNABJWSXJDXBML-UHFFFAOYSA-N 366.424 2.095 0 40 FEAB O=C(c1cccc(F)c1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782252 VFUCAERVJHIGNU-UHFFFAOYSA-N 370.428 2.180 0 40 FEAB Cc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc(-n2cccn2)n1 2086889515 LXTYKZCAZHDCIP-UHFFFAOYSA-N 368.470 2.026 0 40 FEAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1cncc(-c2ccco2)c1 575618419 MYDNOZOZRSXARC-UHFFFAOYSA-N 350.378 2.092 0 40 FEAB CCN1CCN(C(=O)N[C@H](C)Cc2csc3ccccc23)C(=O)C1=O 585150722 HBJWCBZUVWEOON-GFCCVEGCSA-N 359.451 2.233 0 40 FEAB O=C(NCC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3612775 PEZKMDZIXVZYDD-UHFFFAOYSA-N 366.483 2.018 0 40 FEAB Cc1cccc2nc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cn12 32250517 OWQLHHXCVOHRLU-SFHVURJKSA-N 364.449 2.274 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102195360 ROIWDFYDDLDZKE-UOVPBQLFSA-N 372.465 2.209 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc2ncccc12 32768301 VLYRNGXTPIKBHU-UHFFFAOYSA-N 360.377 2.439 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccc(F)cc2)c1C 2660787 IKFZPPOTQPXUBX-UHFFFAOYSA-N 360.385 2.489 0 40 FEAB COc1ccc(CCNC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1OC 2884989 BDEHODMHARKRHU-UXHICEINSA-N 361.438 2.484 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 10041943 XHRJHUAKVDEBIR-GFCCVEGCSA-N 355.822 2.356 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1 10491801 JNFLTYRTKPKCOP-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 53250459 GFCMEJVHKUNFLP-UHFFFAOYSA-N 362.455 2.434 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)CCn1c(=O)n(C)c2ccccc21 22226598 WESDWCQILVUKDP-UHFFFAOYSA-N 366.465 2.108 0 40 FEAB COc1ccc2cc(CN(CCO)C(=O)C3[C@H]4CCCC[C@H]34)c(=O)[nH]c2c1 100773775 ZIMMGOQPAZKXIB-IRXDYDNUSA-N 370.449 2.294 0 40 FEAB C[C@H]1C[C@@H](N2CCN(Cc3ccc(Br)s3)CC2)C(=O)O1 53907088 QQYSCXOTKFXHGX-CMPLNLGQSA-N 359.289 2.332 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 844685 LQNSKUSSZGWPEF-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB CC(=O)c1ccc(N2CCN(Cn3ncc4ccccc4c3=O)CC2)cc1 12564580 OWPKJRFQGNHRMC-UHFFFAOYSA-N 362.433 2.379 0 40 FEAB Cc1ccc(OCCn2c(SCCC(=O)O)nc3c(N)ncnc32)cc1 1070365 SPAGSAAVQRXJAE-UHFFFAOYSA-N 373.438 2.363 0 40 FEAB CC(N[C@H](c1ccc(C)cc1)c1cccs1)=C1C(=O)NC(=O)NC1=O 23762914 PBKXBAPBSUMFKL-OAHLLOKOSA-N 355.419 2.376 0 40 FEAB O=C(Cn1nc(-c2ccco2)oc1=O)NCC1(c2ccccc2)CCC1 54719712 WCMKTOLBZQQYOQ-UHFFFAOYSA-N 353.378 2.334 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccco4)no3)C2=O)cc1 24835648 AVWAFILVZFHGGX-SFHVURJKSA-N 368.349 2.305 0 40 FEAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(c2cnccn2)CC1 25343532 KXJJVQRESZNHOM-UHFFFAOYSA-N 369.450 2.393 0 40 FEAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 107326441 KFPWWDANYFOJGE-PWNZVWSESA-N 372.421 2.115 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)CCOC(C)C)cc1 107542351 JZORLFBONGUKJF-MSOLQXFVSA-N 371.499 2.122 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)s1 57019455 CGEOAXVPXFNXMA-HNNXBMFYSA-N 368.455 2.489 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 35400115 VBDQKYIUJLAZTN-UHFFFAOYSA-N 373.453 2.221 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)CC1=O 100775922 NAIBPBOHKSGTFY-ZDUSSCGKSA-N 370.384 2.203 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 58283364 HGMCYNDDLRSFFQ-OAHLLOKOSA-N 352.394 2.419 0 40 FEAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)c1 58222881 FFKSGIMEQXPEQA-UHFFFAOYSA-N 367.409 2.178 0 40 FEAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)O)ccc12 2152229 DRDRTRQEZRQJEA-LBPRGKRZSA-N 361.394 2.412 0 40 FEAB biogenic COc1cc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)ccc1NC(C)=O 48387323 GQJCSDSSDHPYQG-UHFFFAOYSA-N 374.441 2.176 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)[C@H](C)CCC3 2440244 FSEJHXAOIFGERL-BDAKNGLRSA-N 359.455 2.198 0 40 FEAB CCCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12865950 FSYCDUDLQWBPPE-AWEZNQCLSA-N 360.454 2.267 0 40 FEAB O=C1c2cccn2[C@H]2CN(Cc3ccccn3)C[C@@H]2N1Cc1ccccn1 306138506 RZDQRXIPWIIBLZ-PMACEKPBSA-N 359.433 2.360 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1N 3484469 LNJYSHJSGYUJLY-UHFFFAOYSA-N 353.835 2.262 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)c1ccccc1NS(C)(=O)=O 18263392 VQXLAQYNUMOSGV-UHFFFAOYSA-N 367.379 2.185 0 40 FEAB O=C1C[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)c2ccc(F)cc2N1 12920646 MZXDEOYTUYXHIA-OCCSQVGLSA-N 356.353 2.208 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@@H]2c1ccccc1 19168975 XAXCJQGPSUHBLW-KSZLIROESA-N 351.381 2.361 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408602180 IDQKSQXHZSSRQX-SNVBAGLBSA-N 370.377 2.279 0 40 FEAB COC(=O)c1cc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc(C(=O)OC)c1 6266298 GHWHQACDUHQSMW-CHWSQXEVSA-N 363.410 2.143 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCn2ncc(Cl)c2C)c1 13960118 WMNCXMPZJGSFKJ-UHFFFAOYSA-N 371.846 2.373 0 40 FEAB COc1ccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)c(OC)c1 5204479 HKYLRYGSUWQWTL-NSHDSACASA-N 354.366 2.008 0 40 FEAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nnc2ccccc2c1=O 5265890 FHXRSUOOEOFMDZ-OAHLLOKOSA-N 366.377 2.153 0 40 FEAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccc(NC(N)=O)c2)cc1 14136391 ITWJCZVORBKWQX-CYBMUJFWSA-N 355.394 2.347 0 40 FEAB O=C(CN1CSCC1=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14199917 CVOTWCSMLZLWQW-UHFFFAOYSA-N 370.356 2.363 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2c(C(N)=O)oc3ccccc23)cc1C(=O)O 14672510 RAUYRWQSZUHLKT-UHFFFAOYSA-N 374.374 2.339 0 40 FEAB O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1Cl 4890575 GVYTXZQSVOHGDN-SFQUDFHCSA-N 371.824 2.365 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218000739 FMUNLIWMPFARMS-SWLSCSKDSA-N 360.863 2.108 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)c(OC)c1 6913915 IFBIVXQSGCAIPB-UHFFFAOYSA-N 357.409 2.353 0 40 FEAB NC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 7491452 GSICHUACUGISGR-UHFFFAOYSA-N 352.394 2.234 0 40 FEAB COCC1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 95958664 AYRNPBWHUFQAAK-GOSISDBHSA-N 374.481 2.480 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1 95969452 SDRAAOJFXNSXOD-HNNXBMFYSA-N 366.845 2.418 0 40 FEAB CCOC(=O)C1(C(=O)OCc2nnnn2-c2c(C)cccc2C)CCC1 89978137 BJSCPNGHFPPZTB-UHFFFAOYSA-N 358.398 2.056 0 40 FEAB CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 75572748 KMKOWCKQADDMKP-AWEZNQCLSA-N 355.429 2.291 0 40 FEAB CC(C)[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O 60298270 KOGXVYVSMWRGLG-KRWDZBQOSA-N 365.861 2.384 0 40 FEAB O=C(NCCCCO)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 306138259 RTPXLCCDLLFIDK-UHFFFAOYSA-N 368.441 2.210 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72378045 GZLXRQVVQVYCIM-HNNXBMFYSA-N 354.414 2.100 0 40 FEAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 36593242 QPFYTXSOJNHARL-MEBBXXQBSA-N 362.817 2.282 0 40 FEAB CCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1 41156438 PKHBAZBMUFBWCP-VIFPVBQESA-N 363.892 2.267 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2c(F)cccc2F)Oc2ccccc21 44840502 NLTNGNMAFVPWGZ-AWEZNQCLSA-N 368.361 2.131 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)c2cccc(OC)c2)cc1 222879455 JNGGUMDHDKOXNM-UHFFFAOYSA-N 362.451 2.199 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)Nc1cccnc1 96207141 NPJHUAGFBDIJRJ-BHIYHBOVSA-N 352.438 2.342 0 40 FEAB CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C/c1ccc3c(c1)CCO3)CC2 95393661 VOJLLGOBXXNZAI-YCOJEUHLSA-N 352.438 2.481 0 40 FEAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1ccsc1)C2 248165122 ZMSPVWNNMJYQBQ-MRXNPFEDSA-N 359.495 2.498 0 40 FEAB O=C(Cc1ccccc1F)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247873997 SDHYQZXHCHUYCV-HNNXBMFYSA-N 370.428 2.278 0 40 FEAB CN(C(=O)c1ccnc(Cc2cccc(F)c2)c1)[C@H]1CCS(=O)(=O)C1 257235610 GYPBOYNCEDFNII-KRWDZBQOSA-N 362.426 2.071 0 40 FEAB Oc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)cc1 253615990 CMFBODWDGSIUIO-KNBMTAEXSA-N 366.465 2.405 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c(O)c1 257344844 ZYWBXRFPBYRTRZ-BHIYHBOVSA-N 357.406 2.492 0 40 FEAB O=C(NCCc1ccnc2ccccc12)N[C@@H]1C[C@@H]2CCCCN2C1=O 661299922 GFBPTBIBTAUBIY-MAUKXSAKSA-N 352.438 2.230 0 40 FEAB CN(C(=O)C1CC2(CCC2)C1)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)CC1 1775996843 KHRDQJTUDMDRBZ-KRWDZBQOSA-N 358.486 2.372 0 40 FEAB O=C(NCc1cccnc1O)N1CCCN(Cc2ccc(F)cc2)CC1 624924725 QENMSOWRXIRCBX-UHFFFAOYSA-N 358.417 2.344 0 40 FEAB COc1cccc([C@H](C(=O)O)N2CCC(Oc3ncc(C)cn3)CC2)c1 634693184 RVPAKAGUQSSHGE-QGZVFWFLSA-N 357.410 2.463 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccncc3)CC2)cc(C(F)(F)F)n1 575604938 IQBASMOOWNIHAL-UHFFFAOYSA-N 351.332 2.161 0 40 FEAB CCCn1ccnc1CN1CC[C@@H](Oc2cccnc2)[C@H](CC(=O)O)C1 585286852 VSSSHOLWOZFXIQ-NVXWUHKLSA-N 358.442 2.432 0 40 FEAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H](CC(=O)O)C2)c1 583801760 MXQZTSLIYYNAFG-CHWSQXEVSA-N 363.414 2.379 0 40 FEAB CC(C)CCN1CCC[C@@]2(CC(C(=O)NCc3cscn3)=NO2)C1 585101115 FEVKRBFCRMZZDS-QGZVFWFLSA-N 350.488 2.416 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2nncs2)CC1 826570807 HDFKCHRWHQYXBD-UHFFFAOYSA-N 357.432 2.218 0 40 FEAB O=C(NCc1cccs1)N1CCCSC[C@H]1CN1CCOCC1 90609190 HEGXROBWWHPMKM-CQSZACIVSA-N 355.529 2.097 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)cc1Cl 96097694 SGAXQTLKLHIXIL-ZDUSSCGKSA-N 351.877 2.149 0 40 FEAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)C1CCOCC1)c1ccccc1O2 12086470 JFZPKMGHEOMHDB-LAUBAEHRSA-N 372.465 2.434 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)C1 12145745 ODNHUVFKCHYSOM-HUUCEWRRSA-N 357.454 2.366 0 40 FEAB Cc1ccc(C2(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 12362044 VSJPKHWVTGXWOG-UHFFFAOYSA-N 358.419 2.408 0 40 FEAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 13226274 NIXAEBPAJZWYHA-CQSZACIVSA-N 358.398 2.031 0 40 FEAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 13690213 HRGKTCIKZQQXES-OAHLLOKOSA-N 368.393 2.214 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCc3ccccc32)cc1 16471847 QHEOJEZJDISGLV-SFHVURJKSA-N 358.463 2.419 0 40 FEAB C=Cn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C 19554391 UDJHKXNPDSNIHX-PCCBWWKXSA-N 352.482 2.154 0 40 FEAB CNc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 19718554 NXOOIZYXUSOBPU-ZDUSSCGKSA-N 350.426 2.425 0 40 FEAB O=C([C@@H]1Cc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 1011207451 NGCKUGZVDRLTLF-XUVXKRRUSA-N 361.445 2.196 0 40 FEAB CSc1ncccc1C(=O)NCC1(N2CCSCC2)CCOCC1 1888842712 YLBAMURBFUYZJH-UHFFFAOYSA-N 367.540 2.131 0 40 FEAB CCc1cc(OCC2CCN(c3ccc4nncn4n3)CC2)nnc1C 1888896956 KFEJFJUNDFVQPB-UHFFFAOYSA-N 353.430 2.081 0 40 FEAB COc1cnc(OC2CCN(C(=O)Cc3noc4ccccc34)CC2)nc1 1889226159 FUMIZCAPZRCBPF-UHFFFAOYSA-N 368.393 2.239 0 40 FEAB O=C(NCCC1SCCS1)N[C@H](C1CC1)C1(CO)CCOCC1 1123570594 HBGBRNSDFHAKDC-CQSZACIVSA-N 360.545 2.050 0 40 FEAB CC(C)Cc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 25445596 NPLIJCLRGNHJMU-UHFFFAOYSA-N 354.457 2.360 0 40 FEAB O=C(c1cccnc1O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912616 QOFLUDHOHJNSSV-IBGZPJMESA-N 360.385 2.363 0 40 FEAB Cn1c(=O)c2nc(SCc3cccc4ccccc34)n(C)c2n(C)c1=O 4571044 UXWWMJLDUXSUMZ-UHFFFAOYSA-N 366.446 2.416 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCCc2ccccc21 4940624 SUJWGWAOUACNPA-UHFFFAOYSA-N 370.430 2.201 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC1CCN(CC(=O)NC(C)(C)C)CC1 1849342244 PTXXSZJHKGJVGZ-UHFFFAOYSA-N 370.497 2.332 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@@H]2CCSC2)c1 225724224 VHKOYGCBDIXJQK-GFCCVEGCSA-N 356.407 2.388 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cn(Cc2ccccc2)nn1 2298051624 AHAVPMYWJQRPCK-UHFFFAOYSA-N 353.426 2.471 0 40 FEAB Cc1oc(C(=O)N[C@H](C)c2ccncc2)cc1S(=O)(=O)N1CCCC1 40130232 PAVGDCPJUDCLHZ-GFCCVEGCSA-N 363.439 2.259 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 40121588 CHRQMGKSTHJZHH-PBHICJAKSA-N 372.469 2.398 0 40 FEAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(C(C)(C)C)c1=O 20611877 FXPRZMZRIVWHDM-MRXNPFEDSA-N 368.437 2.056 0 40 FEAB biogenic O=C(Nc1ncccn1)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 77955914 CCGHEGRHAQCMGK-UHFFFAOYSA-N 364.449 2.385 0 40 FEAB O=C(CN1CCC[C@@H]1c1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 69925661 BDYWUEBJOJSPSO-VQIMIIECSA-N 372.490 2.280 0 40 FEAB O=C1CCCN1C[C@H](O)CNC(=O)C1(c2cccs2)CCCCC1 79095165 LLBXVFUPKQPYHH-CQSZACIVSA-N 350.484 2.050 0 40 FEAB CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 4996199 LIMSDFHRPMMBMP-UHFFFAOYSA-N 350.415 2.466 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)n1 6138565 WHECNASXKXZYCD-UHFFFAOYSA-N 368.850 2.262 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6699491 VGZWJHVJWKHDOQ-WTTBNOFXSA-N 354.406 2.384 0 40 FEAB CCN(CCNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(C)c1 8746854 VJLCRBLSRBXBIS-UHFFFAOYSA-N 350.426 2.227 0 40 FEAB Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3cccn3)cn2)cc1 2809752 ZBZATFKQSIMKOV-UHFFFAOYSA-N 351.439 2.354 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCn1ncc(=O)c2ccccc21 53025196 OFMXYQBRHFHDFC-GASCZTMLSA-N 371.437 2.119 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2c(s1)CCC2 53776706 RGBNJIYDLKMICT-UHFFFAOYSA-N 352.437 2.145 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1O 100998033 BOSTVRLNGVRLQM-BGHFTGAHSA-N 372.808 2.037 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 3281487 LSQYUFNJYDGTHV-MRXNPFEDSA-N 358.438 2.210 0 40 FEAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(c2ccccc2O)CC1 57383613 ATPUOEBRNJDFLR-HNNXBMFYSA-N 359.495 2.323 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)ccc1OC 20039237 YNLTXKZCKXKFMN-ZDUSSCGKSA-N 362.451 2.403 0 40 FEAB CC(C)(C)N1CCCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 58161008 CTSMJRRRASDSDK-CQSZACIVSA-N 364.456 2.386 0 40 FEAB CS(=O)(=O)c1ccc(-n2nnnc2CN2CCCc3ccccc32)cc1 58162263 FILXCANLNLWFKS-UHFFFAOYSA-N 369.450 2.019 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CCOc2ccc(C)c(C)c2)CC1 28295322 CPIMLNMJMJEIKM-QGZVFWFLSA-N 350.459 2.207 0 40 FEAB COc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1OCC(N)=O 12773040 ZDDIZCMRFUXURG-UHFFFAOYSA-N 362.813 2.185 0 40 FEAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)on1 48310228 JTVJCOHOXYZORJ-TZMCWYRMSA-N 350.440 2.206 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12889031 AUVZMQOPUIVCFP-IXDOHACOSA-N 361.486 2.198 0 40 FEAB CC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c1 3443172 RMCLOOFHYSPWEI-UHFFFAOYSA-N 369.406 2.301 0 40 FEAB NC(=O)c1ccc(NC(=O)COc2ncnc3sc4c(c23)CCC4)cc1 3600097 HFPVPEUSVKIHTJ-UHFFFAOYSA-N 368.418 2.296 0 40 FEAB Cc1cc(NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n2ncnc2n1 8756144 ZJZCQMDFRMLDJP-UHFFFAOYSA-N 373.225 2.045 0 40 FEAB CC(C)(C)NC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408575816 WUTRYLFPPNNHEO-UHFFFAOYSA-N 355.438 2.361 0 40 FEAB COc1ccc(OCc2nn(CN3CCO[C@@H](C)C3)c(=S)o2)cc1 14168620 LUECDYKMHBPITQ-LBPRGKRZSA-N 351.428 2.471 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)cc1 6599712 WWHNQRDUEQCJHF-AWEZNQCLSA-N 368.455 2.428 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc2c1CCCC2 24442642 FQJOMJZJMDDRRQ-UHFFFAOYSA-N 370.430 2.349 0 40 FEAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21 408713171 MUSLXMXXKHCFLQ-UHFFFAOYSA-N 361.445 2.497 0 40 FEAB Cc1ccccc1SCC(=O)OCC(=O)Nc1ccccc1C(N)=O 7787054 MTEVUXLYXKMOBL-UHFFFAOYSA-N 358.419 2.368 0 40 FEAB COc1cc(NC(=O)c2cnn3ccc(C)nc23)ccc1N1CCCC1=O 68664177 FHTCPBUQURBYCY-UHFFFAOYSA-N 365.393 2.425 0 40 FEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1nc2ccccc2[nH]1 96118212 FYYQQEJTKMGMAK-UHFFFAOYSA-N 359.389 2.103 0 40 FEAB COC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(O)c(OC)c1 8671076 IRKVTFDZQUAXJS-KCJUWKMLSA-N 353.421 2.177 0 40 FEAB COc1cccc(OC)c1CC(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F 95464025 XDUWTXYDPHCPPJ-QGZVFWFLSA-N 365.332 2.467 0 40 FEAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408557507 NEPXHMUWACRMQX-UHFFFAOYSA-N 368.499 2.372 0 40 FEAB CCN1C(=O)N/C(=C/c2ccc(OC)c(I)c2)C1=O 409252573 SRUMFDUFGDQZFH-JXMROGBWSA-N 372.162 2.212 0 40 FEAB O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCOCC1 67262865 PKRVPSCUBZXVMI-UHFFFAOYSA-N 369.812 2.455 0 40 FEAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217497266 JIGXLRWVEJTKAR-LBPRGKRZSA-N 356.444 2.053 0 40 FEAB CCN(CC)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 72341150 WHUZAUXODDSYTD-GOSISDBHSA-N 367.453 2.240 0 40 FEAB Cc1cc(=O)c(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cn1C 72401181 PWHGINGHMUAHDV-UHFFFAOYSA-N 358.394 2.276 0 40 FEAB O=C(Cc1cccs1)Nc1nnc(SCC(=O)NC2CC2)s1 35316136 GMJGMOZUCUWGNQ-UHFFFAOYSA-N 354.482 2.152 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 40005337 AOBXGDRWZKUNFU-OLZOCXBDSA-N 358.891 2.484 0 40 FEAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 44839059 XJKKFQHXZVTGRA-OAHLLOKOSA-N 353.488 2.014 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2nccc(N3CCCCC3)n2)c1 224159055 VVJNNQVJWQUEEP-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1 225653838 QMNBBIHQEYLBQY-MRXNPFEDSA-N 351.424 2.120 0 40 FEAB COc1ccc([C@H]2CCN(c3nccc(N[C@@H]4CCCOC4)n3)C2)cc1 333271833 NVYIUGPIQASXBZ-DLBZAZTESA-N 354.454 3.070 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@@]2(CCCN(CC3CCOCC3)C2)C1 96071583 HMOVBUDULONWPN-OAQYLSRUSA-N 357.498 2.365 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ncc(C(=O)O)s2)c(C)c1F 579231390 CYMUTBNEIYUAJU-QMMMGPOBSA-N 374.415 2.337 0 40 FEAB COc1cccc(NCc2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)c1 95533836 WFJIJCGVRGUUAJ-GOSISDBHSA-N 369.425 2.491 0 40 FEAB C[C@H]1CN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@H]1O 257343986 ZVGKDHDIGHVFJB-SUMWQHHRSA-N 351.410 2.396 0 40 FEAB Cc1nc([C@@]2(C)CCCN(Cc3cncs3)C2)nc2c1CC(=O)N2C 257296288 RCBRYSQAZILQOA-SFHVURJKSA-N 357.483 2.314 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257344377 ZWYMYZIUQMCAFV-HNNXBMFYSA-N 354.414 2.071 0 40 FEAB CC(C)Cn1cnc(S(=O)(=O)N2CCCc3cc(C(=O)O)ccc32)c1 267468970 QGFIBKDUFJXZOI-UHFFFAOYSA-N 363.439 2.379 0 40 FEAB Brc1cnc(OC[C@@H]2CCCN(c3cnccn3)C2)nc1 1776000440 BZHFXQOUGDPFEU-LLVKDONJSA-N 350.220 2.325 0 40 FEAB O=C(NCc1cccc(OC2CC2)c1F)N[C@H]1C[C@@H]2CCCCN2C1=O 661302275 QXHWEFGWVKFWLV-ZFWWWQNUSA-N 361.417 2.320 0 40 FEAB COc1cc(-c2nc(CC(=O)N3CCSCC3)no2)c2ccccc2n1 664851789 BVNWFQYWXZHWST-UHFFFAOYSA-N 370.434 2.411 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1cccc(S(N)(=O)=O)c1 665503306 HKWFFBRTOWREDY-DIFFPNOSSA-N 362.426 2.380 0 40 FEAB CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)c1cc(C2CC2)[nH]n1 671515256 QGHXMHHVLMPPIT-KBXCAEBGSA-N 356.474 2.176 0 40 FEAB COc1ccc2c(c1)OC[C@@H](NC(=O)c1cncc(-c3cnn(C)c3)c1)C2 678099027 UUUHIAAMDBXCEV-KRWDZBQOSA-N 364.405 2.224 0 40 FEAB O=C(NC[C@H](OCCO)c1ccsc1)c1cncc(Br)c1 575621641 PZBIQMIFXAGCKU-ZDUSSCGKSA-N 371.256 2.386 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1 585095072 CSXXLRVDHHIGRV-CQSZACIVSA-N 353.513 2.121 0 40 FEAB COc1cc(NC(=O)c2ccc(Br)o2)c(C(N)=O)cc1OC 58222985 NMQRIZVIUUEEQD-UHFFFAOYSA-N 369.171 2.411 0 40 FEAB CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H]2CCCNC2=O)cc1 64098758 DHBVOFDLUQBIOM-INIZCTEOSA-N 372.494 2.483 0 40 FEAB COCc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)o1 97252246 AETFJHFZDCPPGG-UHFFFAOYSA-N 357.454 2.368 0 40 FEAB Cc1cc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)nn1C 585581970 KHJURYVREBAMOK-UHFFFAOYSA-N 365.441 2.063 0 40 FEAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccnn1C(C)C)CC3 12253210 SGCKSHZLIPOWJQ-UHFFFAOYSA-N 371.466 2.242 0 40 FEAB CN1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1 19369629 MBHSJLXTRRGKBG-UHFFFAOYSA-N 356.558 2.363 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19559081 AQHHVRUZIBNZKE-LBPRGKRZSA-N 372.856 2.414 0 40 FEAB COc1ccc(CN2CCc3nc([C@H]4CCNC4)ncc3C2)cc1OC 19561158 RYZOMYQCBNQRLY-HNNXBMFYSA-N 354.454 2.129 0 40 FEAB Cc1cccn2c(=O)c(C(=O)NCCCn3ccnc3C(C)C)cnc12 19714711 YFACNFHPORFZJT-UHFFFAOYSA-N 353.426 2.143 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc4ccccn34)nc2c1 6505596 RJHAHEMIUSOOCZ-UHFFFAOYSA-N 367.390 2.045 0 40 FEAB CCc1nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC=CCC4)C[C@H]3C2)nc(O)c1F 1888850428 PHKCGHYNCUWOEV-RDBSUJKOSA-N 360.433 2.135 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4c2ncn4C)C3)n1 1888904028 STGWTRGPOTYTIL-LIRRHRJNSA-N 365.441 2.147 0 40 FEAB O=C(CSc1ncn[nH]1)N1CCN(Cc2cccc3ccccc23)CC1 26911793 MHUPEZVTEZFCQW-UHFFFAOYSA-N 367.478 2.394 0 40 FEAB Cc1nccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)n1 2037908967 IWOFYZOTKSWIDQ-LJQANCHMSA-N 359.401 2.360 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 1614946705 BISRZUOBSPZJPJ-CYBMUJFWSA-N 352.385 2.386 0 40 FEAB CCCC[C@H](CC)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4370927 GHMWRJLYDHTQMJ-VIFPVBQESA-N 357.252 2.402 0 40 FEAB COc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1OC 4569902 JUIRTXZSKJOEOF-UHFFFAOYSA-N 356.353 2.204 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cc4ccccc4o3)cnc21 10250972 MBQPFWJUKNBFKD-UHFFFAOYSA-N 351.366 2.478 0 40 FEAB O=C(c1ccc(F)cc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772964 CVXQMEQCVQWBOW-UHFFFAOYSA-N 370.428 2.180 0 40 FEAB Cc1ccccc1C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055772601 AVXCCQPBAGOOES-OAHLLOKOSA-N 355.438 2.103 0 40 FEAB O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(nc3ccccn3c2=O)O1 96230966 QTJSDZWJHWGMEV-LBPRGKRZSA-N 360.325 2.242 0 40 FEAB CNC(=O)c1cccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 50029789 XQKPZMSHUWATBA-IBGZPJMESA-N 351.450 2.327 0 40 FEAB CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3c(c2)COC3)c1 50027314 UQSXHWHMUNNNDN-UHFFFAOYSA-N 354.362 2.471 0 40 FEAB O=c1cc(CO)oc([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c1O 20507210 BLCGMDNJJCBDCD-QGZVFWFLSA-N 368.345 2.163 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cs1 46495288 BONAQWRBNIYLDE-KBPBESRZSA-N 351.472 2.450 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 32854297 OBIQTUXSGNXYAD-HNNXBMFYSA-N 356.353 2.178 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 2800259 PLABZGJPXZBJNC-JTQLQIEISA-N 366.361 2.195 0 40 FEAB CCOc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 6957943 MTSFEGAIZUDAJU-UXBLZVDNSA-N 355.188 2.379 0 40 FEAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)cc1 9342996 ZJWMHJZHPJFDKH-UHFFFAOYSA-N 352.387 2.141 0 40 FEAB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 6935167 ATMSKHRDLIUDMQ-NTEUORMPSA-N 367.361 2.155 0 40 FEAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](SCCO)C2=O)cc1 8570058 VVAAFHKRFOZNTI-CQSZACIVSA-N 351.424 2.001 0 40 FEAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccccc1 8732499 WSBPJWKMMOKCKG-ZDUSSCGKSA-N 354.362 2.142 0 40 FEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1F 19819732 ARLNZABIYRYLNF-QGZVFWFLSA-N 372.396 2.358 0 40 FEAB O=C1O[C@@H](NC(=O)c2ccccc2)C(NC(=O)c2ccccc2)=C1Cl 827845 KOCHVPJAMYPNMM-QGZVFWFLSA-N 356.765 2.180 0 40 FEAB O=C(CSc1nnnn1C1CCCC1)N(Cc1cccnc1)C1CC1 47471116 ZQFPVRKQLIFGJF-UHFFFAOYSA-N 358.471 2.467 0 40 FEAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 27324162 OIWSRESUVZUJAT-LBPRGKRZSA-N 372.450 2.020 0 40 FEAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)NC(=O)c1ccco1 104879889 WRSVKDHDMMRBRP-WJDWOHSUSA-N 368.374 2.245 0 40 FEAB C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCCC1 24091532 FTIMDAZQMPUCRY-LRDDRELGSA-N 360.410 2.157 0 40 FEAB O=C(c1ccccc1F)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24210429 ZEAOTSLEBGAYTA-UHFFFAOYSA-N 366.396 2.020 0 40 FEAB OCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br 43224374 KANJFFCHKIXULA-UHFFFAOYSA-N 370.169 2.104 0 40 FEAB COc1cc(C(=O)C[C@]2(O)C(=O)Nc3c(C)cccc32)cc(OC)c1OC 1425414 NJBVRJDGHHNJMC-HXUWFJFHSA-N 371.389 2.434 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21 12541624 FBWOVKCXCAXZEJ-UHFFFAOYSA-N 374.418 2.485 0 40 FEAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(Cc2ccccc2)CC1 25507712 LROMKYRGDOXLAU-MRXNPFEDSA-N 357.498 2.054 0 40 FEAB COc1cc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1 12596583 MQMNGSATTKLPJG-JTQLQIEISA-N 356.382 2.313 0 40 FEAB COC[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C 72295457 CRZYJMMKVMBODG-MRXNPFEDSA-N 374.478 2.014 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2Br)cn1 3237632 CQLHSDZXHSRTMW-UHFFFAOYSA-N 350.172 2.343 0 40 FEAB COc1ccc(CCN2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 58190816 JVIHPIOTQDUDGW-MRXNPFEDSA-N 372.469 2.179 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10370983 MHYQCFRMDDKNKD-DZGCQCFKSA-N 353.488 2.315 0 40 FEAB O=C(CCc1ccccc1O)N1CCN(C(=O)c2ccccc2O)CC1 58377953 YNRGFPALSDIHSQ-UHFFFAOYSA-N 354.406 2.015 0 40 FEAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2N2CCCN12 102706956 QXTBICUHPJMWFJ-CEXWTWQISA-N 363.417 2.231 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 10749958 JQPHFKCTQXCWNH-YPMHNXCESA-N 352.818 2.469 0 40 FEAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCO[C@H](C)C2)cc1 11497860 CRDGWPAARQQUCP-GFCCVEGCSA-N 362.455 2.254 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(COc2ccc(F)cc2F)o1 27983609 BTWGJNAUGVTNPI-UHFFFAOYSA-N 366.364 2.199 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc(=O)[nH]c1C 12815461 RFRBTBXSUOMZFQ-UHFFFAOYSA-N 373.434 2.084 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12903942 YNAHCHVAFXIJPZ-QMMMGPOBSA-N 365.149 2.481 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 13061168 WSBLTJYFXHKWNW-CYBMUJFWSA-N 353.850 2.291 0 40 FEAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(Br)c(C)c1 5019604 GRUMBJVEXZCCCE-VOTSOKGWSA-N 370.199 2.359 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358918 ULOUKZLIXVYQME-UHFFFAOYSA-N 351.457 2.279 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1CCN(CC(=O)N2CCCC2)CC1 14182751 YQWDLOGSMHISIT-UHFFFAOYSA-N 365.477 2.149 0 40 FEAB C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 14251260 RGHCFAWHMSRJJQ-NSHDSACASA-N 352.843 2.407 0 40 FEAB Cc1ccc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)cc1C 6590851 FHVFMZKVVCWERO-UHFFFAOYSA-N 357.439 2.150 0 40 FEAB CN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)N(C)C1=S 409030507 FZYMOBILTYPQML-OQFOIZHKSA-N 355.213 2.207 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1=O 5878641 SJILASWZUXCGSN-UHFFFAOYSA-N 367.405 2.147 0 40 FEAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1 6983168 CNSNMYCWMIOLGH-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)c3ccc4c(c3)OCCO4)nc2n1 7007602 UNBUIYXRPQAPMH-UHFFFAOYSA-N 356.407 2.487 0 40 FEAB COC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1 9157336 ZHYCXJRFDREWNY-UHFFFAOYSA-N 353.422 2.234 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1C 7423658 ZKHIWYJVFONTBQ-ZHACJKMWSA-N 366.464 2.316 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccc(F)cc1 15879565 WOYIIRYNFXZZER-UHFFFAOYSA-N 354.337 2.140 0 40 FEAB COc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 15831558 JZWDIKFEOMWVPQ-QGZVFWFLSA-N 362.470 2.177 0 40 FEAB COc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc2c1OCCO2 7939302 ASSUDLOJJVHJDZ-LBPRGKRZSA-N 363.410 2.461 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2noc(-c3ccccc3F)n2)CC1 96125565 WLTHGMCGERYIKX-UHFFFAOYSA-N 362.361 2.226 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 8332181 IMYSPBMMAINFTF-UHFFFAOYSA-N 374.462 2.344 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCCOc2ccccc2)c1 71848330 PFXDWLXLHCHOLO-UHFFFAOYSA-N 364.467 2.348 0 40 FEAB Cn1cc(-c2cnc3n2C[C@@]2(COCCN(Cc4cccs4)C2)C3)cn1 306133065 MASLNWNOOWAULU-LJQANCHMSA-N 369.494 2.420 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)c(C)cc2C)CC1 27823625 HNAQDDZIQVDREB-UHFFFAOYSA-N 370.471 2.165 0 40 FEAB Cc1nsc(N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)n1 72308862 QIWCVWWVJJRXJO-KRWDZBQOSA-N 371.510 2.332 0 40 FEAB O=C(O)c1cc(NC(=O)c2nccnc2C(=O)O)c(Cl)cc1Cl 95476848 QMSXQMVYANWVLC-UHFFFAOYSA-N 356.121 2.432 0 40 FEAB CCCCS(=O)(=O)N1CCC(C(=O)N(CC)c2ccncc2)CC1 74019235 LZWNZRNAUJZLRW-UHFFFAOYSA-N 353.488 2.276 0 40 FEAB O=C([C@@H]1CCOc2ccccc21)N1CCC(c2ccnn2CCO)CC1 89543188 NEFOJHUJIGWERN-QGZVFWFLSA-N 355.438 2.148 0 40 FEAB Cc1c(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c(=O)n(-c2ccccc2)n1C 89852383 QDQHBUOGIVXGJM-CZUORRHYSA-N 358.442 2.109 0 40 FEAB COc1cc(/C=C/C(=O)N2CCC(OCCO)CC2)ccc1OC(C)C 89888095 YOHOMZXEHFEBSF-FNORWQNLSA-N 363.454 2.496 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306138091 ROUATCHXYNTOFB-HDMKZQKVSA-N 367.405 2.009 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408606453 MBUZNSVAOQCFHW-GHMZBOCLSA-N 362.879 2.320 0 40 FEAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCC(F)(F)CC1 306136621 PYRXUCXSNDAQBL-INIZCTEOSA-N 368.428 2.067 0 40 FEAB COCCNc1ccc(-c2noc([C@@H]3CCCN3c3ncccn3)n2)cn1 35425929 JBTVRRKINOVBGE-AWEZNQCLSA-N 367.413 2.321 0 40 FEAB biogenic,in-vitro CCn1c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)NC3=O)nc2ccccc21 78520300 BNNPALACRLCJHE-NSHDSACASA-N 362.389 2.431 0 40 FEAB COCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217596889 PBVMORIRMKYBPE-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB COc1ccccc1N(CCO)S(=O)(=O)c1cnn(-c2ccccc2)c1 564068561 ZZGSGXUODQOWDT-UHFFFAOYSA-N 373.434 2.069 0 40 FEAB COCc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225188572 WMGVUDBGDSQUJB-UHFFFAOYSA-N 370.456 2.080 0 40 FEAB CCOc1ccccc1S(=O)(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225431814 CBWFDOKPOXFHDH-AWEZNQCLSA-N 363.439 2.026 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C 223319661 SXMQSGIWOSRLHE-UHFFFAOYSA-N 362.363 2.017 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccccc2)s1 225380475 TVGXOENTQBIHKA-NSHDSACASA-N 354.457 2.316 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(c4ncc(F)cn4)C3)C2=O)c1 96159798 UCGMWGRQJQZHEB-IBGZPJMESA-N 356.401 2.253 0 40 FEAB C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)CN(C)C)cc1 95851925 NTFKWGXXJRSMSD-MRXNPFEDSA-N 353.466 2.477 0 40 FEAB O=C(c1ccoc1)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 96217653 JUUHKTSGVJGRJO-CQSZACIVSA-N 351.366 2.422 0 40 FEAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1c(C)noc1C)CC2 96260410 ONLKLZMPEMFWSC-UHFFFAOYSA-N 371.485 2.467 0 40 FEAB Cc1cncc(C2CCN(C(=O)CCn3nnc4ccccc43)CC2)n1 257324067 WMZVLTZXIHHYFY-UHFFFAOYSA-N 350.426 2.326 0 40 FEAB Nc1cccc([C@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257231405 GGOFVEYFRBTSIH-QGZVFWFLSA-N 351.410 2.004 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc(NC2CC2)n1 1632792033 KHHIHZXBXSHLSU-QZTJIDSGSA-N 358.486 2.072 0 40 FEAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc3cccnc3c2)CC1 631740166 NKUTYRQKUZIJAK-INIZCTEOSA-N 366.465 2.004 0 40 FEAB CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2CS(N)(=O)=O)c2ccccc21 637439094 UYIVWUHDSBUYKS-JQFCIGGWSA-N 365.499 2.334 0 40 FEAB CCO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 390823186 VQCWRPMIHXJERW-KXIGMZGYSA-N 371.477 2.361 0 40 FEAB CCCn1cc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)cn1 585277149 KOFUOOHQDCVURR-FQEVSTJZSA-N 357.454 2.048 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccc(C)cc2)Cc2ccnn21 585112675 VDYVUKFSKXYYTK-SFHVURJKSA-N 362.499 2.078 0 40 FEAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CCC(=O)NC(N)=O)OCCO3 58571534 YMGXTDBCDHUEBL-ZDUSSCGKSA-N 373.453 2.231 0 40 FEAB CC(=O)CCCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161186 WOSQBLACRKPULU-FQEVSTJZSA-N 358.438 2.170 0 40 FEAB N=C(N)NCCC[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5774098 MIEFCSJODWGRBK-INIZCTEOSA-N 369.425 2.251 0 40 FEAB Cc1ccc2cc(C)c3nn(CCNC(=O)c4cccnc4)c(=O)n3c2c1 12146424 CVDMNKAXKMERMP-UHFFFAOYSA-N 361.405 2.091 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c2ccccc12 12462342 NHIJPYLRSMZHBE-UHFFFAOYSA-N 367.380 2.447 0 40 FEAB biogenic,in-vitro C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12676720 RGVNYLIKRRJNIM-SCLBCKFNSA-N 373.478 2.402 0 40 FEAB CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 13570025 JAIDFFKOIKUKTF-UHFFFAOYSA-N 355.419 2.494 0 40 FEAB CCOc1ccc2nc(N3CCN(C(=O)c4ccnn4C)CC3)sc2c1 13655499 WSSXTQTVUNLBBM-UHFFFAOYSA-N 371.466 2.391 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1 19173858 WOZFMSVMKJWVQS-UHFFFAOYSA-N 371.462 2.107 0 40 FEAB CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cc(Cl)cn2)n1C 19457330 SYDCIOSZKVUUOK-PWSUYJOCSA-N 368.894 2.387 0 40 FEAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2cc(=O)n3ccsc3n2)cc1 9393787 VMDHERNITHSXEN-LBPRGKRZSA-N 372.402 2.469 0 40 FEAB Cn1cnc2c(N3CCC(N4CCc5sccc5C4)CC3)ncnc21 1776000809 LEAZQHLBZCYABR-UHFFFAOYSA-N 354.483 2.452 0 40 FEAB Cn1cc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037841097 WBAPDLRILNHSDH-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841101 WEZYRTPBZUGKBV-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB O=C1COC[C@@]2(CCN(Cc3ccc(F)cn3)C2)CN1c1ccccc1 2037980965 OVXFLRAQNUGXAH-HXUWFJFHSA-N 355.413 2.476 0 40 FEAB CN(C)c1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 9573872 WJLKXXTXBJXFJV-UHFFFAOYSA-N 362.433 2.406 0 40 FEAB CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 13850621 IMVFFBQQLPDYEJ-UHFFFAOYSA-N 368.842 2.438 0 40 FEAB O=C(NCCNC(=O)c1nc(C2CCCCC2)no1)c1cccc(F)c1 15082228 VQRASHLVABRZHG-UHFFFAOYSA-N 360.389 2.416 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cccc(F)c1 2055772706 RSAFZQYPYKRVPC-CQSZACIVSA-N 357.385 2.337 0 40 FEAB O=S(=O)(NC[C@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 20614852 RXJWADRTPMULFD-OAHLLOKOSA-N 370.858 2.285 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1cccc2cccnc12 38681025 VLLKDTNNOGWNBT-UHFFFAOYSA-N 374.400 2.140 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1O[C@@H]1CCSC1 225724919 VLGYPMWBNXXEQD-CQSZACIVSA-N 368.422 2.194 0 40 FEAB Cn1c(=O)c2c(Nc3ccc(C(F)(F)F)cc3)ccnc2n(C)c1=O 12227460 KUWGVANRRMSBET-UHFFFAOYSA-N 350.300 2.395 0 40 FEAB CN(Cc1ccco1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 40130157 GSNBUCRROYHTSF-UHFFFAOYSA-N 352.387 2.085 0 40 FEAB O=C1CCc2ccc(OCc3noc(C(=O)NC4CCCC4)n3)cc2N1 20744979 BUCGMDJGNKFACV-UHFFFAOYSA-N 356.382 2.206 0 40 FEAB Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@H]2CCCCO2)c1 11871026 KOMFBMNVSMSKJU-OAHLLOKOSA-N 360.414 2.064 0 40 FEAB CN1C(=O)C[C@@H](NC(=O)CC2(O)CCCC2)[C@@H]1c1ccc(Cl)cc1 91771441 IHZHQONSSDWWOF-PBHICJAKSA-N 350.846 2.423 0 40 FEAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cncc(Br)c1 78821288 WXYXJFGBTXMHSV-GFCCVEGCSA-N 368.275 2.075 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(CC)[C@@]1(C)Oc1c(OC)cccc12 3911346 YGMHFWZWPBFLNT-AHIWAGSCSA-N 350.440 2.234 0 40 FEAB C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 46878514 XRVONLIMLOQZGD-HNNXBMFYSA-N 353.507 2.482 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 21972698 FYJCANCZXDNURU-OAHLLOKOSA-N 350.484 2.487 0 40 FEAB CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 7779740 AUIRUOBIHFIVNP-MRXNPFEDSA-N 356.444 2.123 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1NS(C)(=O)=O 10112968 NGNQSOPJHQRYDH-UHFFFAOYSA-N 373.478 2.329 0 40 FEAB COc1cc(OC)cc(C(=O)OCCn2cnc3ccccc3c2=O)c1 22468168 QIFZHSUVVOOVFH-UHFFFAOYSA-N 354.362 2.271 0 40 FEAB biogenic CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccn1 54223494 NKJPOQAEAYVQLE-UHFFFAOYSA-N 371.821 2.274 0 40 FEAB O=C(CSc1nc(-c2ccncc2)n[nH]1)NC(=O)Nc1ccccc1 1036573 FNKHYISKTOKUJH-UHFFFAOYSA-N 354.395 2.307 0 40 FEAB NC(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 47715757 JHOWLSVPJLOKRP-UHFFFAOYSA-N 373.403 2.458 0 40 FEAB COc1cccc(CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1 9991886 QSYWBUMSQQCLCM-UHFFFAOYSA-N 351.406 2.152 0 40 FEAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@H]1COCCO1 54613464 KPZGEUKIUSMADS-NSHDSACASA-N 352.337 2.084 0 40 FEAB COC(=O)c1ccoc1COC(=O)c1sc2ncn(C)c(=O)c2c1C 24105999 IZLIDIGZOBYHSH-UHFFFAOYSA-N 362.363 2.040 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1 12578285 IUUILABOQRENEC-KRWDZBQOSA-N 362.389 2.270 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C(N)=O)C1 12569675 RJINPVDNXGHIQD-JKSUJKDBSA-N 358.486 2.201 0 40 FEAB COc1cc(C(=O)Nc2cccc3cn[nH]c23)cc(Cl)c1OCC(N)=O 25585298 SMFPUVFKEMBZPU-UHFFFAOYSA-N 374.784 2.341 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(COc2ccc3c(c2)OCO3)c1 56187468 VSKHOPVVNWAPIE-LBPRGKRZSA-N 371.393 2.250 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 102075924 GXSRITXPICVVHD-QMWCDGKBSA-N 374.396 2.193 0 40 FEAB Cc1[nH]c2c(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cccc2c1C 27268324 NFESZMAWORIJCO-UHFFFAOYSA-N 363.421 2.368 0 40 FEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 58215421 KBBNQMVJNYKTQL-QGZVFWFLSA-N 357.454 2.412 0 40 FEAB CCc1nnsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 58268595 AJTIWSKRNRJJPU-TXEJJXNPSA-N 361.471 2.039 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC(=O)NC1CCCCC1 3350383 MLALBWOFZFADCW-LLVKDONJSA-N 362.382 2.119 0 40 FEAB CCCCNC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251728 SNKGTXQABRRUEV-UHFFFAOYSA-N 358.460 2.020 0 40 FEAB CS(=O)(=O)c1ccc(OCCCN2CCCN3CCC[C@@H]3C2)cc1 58378178 CGVXRQDQSKPFJF-MRXNPFEDSA-N 352.500 2.029 0 40 FEAB CC(C)c1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n1Cc1ccco1 10932476 MRQBSPJMQLVDKP-LBPRGKRZSA-N 365.459 2.354 0 40 FEAB CCCCn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O 28691991 YINJEZHRTKEBRQ-UHFFFAOYSA-N 354.410 2.423 0 40 FEAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)C1(F)CCC1)C2 306141514 VYTQYHFDWDVZFW-INIZCTEOSA-N 361.461 2.413 0 40 FEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccccc1 18094602 MKXXRYPEVMQIRP-UHFFFAOYSA-N 370.405 2.324 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 12890809 INYHIWLOYZHNQP-MRXNPFEDSA-N 374.418 2.177 0 40 FEAB Cn1cc(C(=O)c2ccccc2)cc1CN1CCN(c2ncccn2)CC1 12955848 PEEAVLICUVMULO-UHFFFAOYSA-N 361.449 2.368 0 40 FEAB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N1CCOCC1 12967765 BELNDGRYPPBVQS-AWEZNQCLSA-N 359.378 2.263 0 40 FEAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3600533 QUPFEOMLVHGCIT-PIGZYNQJSA-N 351.834 2.412 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(C(=O)O)cc2C(=O)O)cc1OC 8714608 IWKHDCYZQVSCAM-UHFFFAOYSA-N 373.361 2.073 0 40 FEAB COCCCC(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 64463744 MMLBPJGJURBCHF-UHFFFAOYSA-N 353.220 2.454 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 4488074 IMNYCBHRMWRQFC-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB O=C(COC(=O)c1cc(O)c2ccccc2c1O)NC(=O)NC1CCCC1 4414115 OUBKTOXKRKWJPF-UHFFFAOYSA-N 372.377 2.176 0 40 FEAB COc1ccc(CC(=O)NCCc2ccc3c(c2)OCCO3)cc1OC 14085158 IZJWCOPLSUAFES-UHFFFAOYSA-N 357.406 2.376 0 40 FEAB O=C(NS(=O)(=O)c1ccccc1Cl)c1cccc2c1OCCO2 65644627 ZOCICMVHMICGBY-UHFFFAOYSA-N 353.783 2.230 0 40 FEAB COc1cc(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1C 14255132 STAGZFJIBBPLFI-CYBMUJFWSA-N 362.451 2.071 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 5789684 ADXMEDXXZXKINF-AXVVYFOYSA-N 357.406 2.181 0 40 FEAB biogenic CC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1ccc(F)cc1)C2=O 15235549 BSFGHGDAHFIPQH-FHBSJOOWSA-N 350.390 2.066 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccccc1OCC 67286789 GBZSYEMVIPLRGD-SFHVURJKSA-N 373.453 2.352 0 40 FEAB CC(=O)C[C@@H]1COCCN1C(=O)COc1ccc(Oc2ccccn2)cc1 96011958 SEIFAONKMBSOIM-MRXNPFEDSA-N 370.405 2.459 0 40 FEAB O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cccc(C(=O)N2CCCC2)n1 81290942 KVEGYODPQIYPTH-KRWDZBQOSA-N 370.497 2.312 0 40 FEAB COc1cccc(C(=O)C[C@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1 9305616 BUJMYFNAKLWKRB-HXUWFJFHSA-N 352.390 2.276 0 40 FEAB CN(C)C(=O)NCCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1 95456687 RJHTWTAJTBMQLA-UHFFFAOYSA-N 358.442 2.394 0 40 FEAB CN(C)C(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 306134335 NJJCZBYPJIAKIN-SFHVURJKSA-N 364.453 2.259 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1 24454802 HBHLSAAWBCFJNH-UHFFFAOYSA-N 352.843 2.357 0 40 FEAB CN(C)C(=O)N1CCC(c2nnc3ncc(-c4cccnc4)cn23)CC1 306125627 CWKJPMZJNRULKG-UHFFFAOYSA-N 351.414 2.047 0 40 FEAB NC(=O)CSc1ccccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 505863499 DKOFVCGLICBQBP-UHFFFAOYSA-N 370.434 2.260 0 40 FEAB NCC1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218057949 LKQRYSGABRKABZ-HZPDHXFCSA-N 350.871 2.184 0 40 FEAB O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1noc2c1COCC2 527604457 HODMGLGDBFRHFP-GFCCVEGCSA-N 356.300 2.230 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@H]1CO 39160152 WPPIPCNSRTXZPI-GJZGRUSLSA-N 350.415 2.283 0 40 FEAB O=C(NC[C@@H](O)CCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 543383368 KQWACMLRKXLCJD-HKUYNNGSSA-N 352.434 2.149 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1 70967810 PROIXPQRSXYWIA-IBGZPJMESA-N 359.447 2.465 0 40 FEAB COc1cc(C)ccc1CN1CCC[C@H]1c1nnc2n1CCN(C(C)=O)C2 72373877 XMCWFOTVPZHVBU-KRWDZBQOSA-N 369.469 2.294 0 40 FEAB CCSc1nnc(NC(=O)CNC(=O)c2c[nH]c3ccccc23)s1 49027829 ZPRAMEINWVHTGT-UHFFFAOYSA-N 361.452 2.500 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccc(Cl)c1 44891974 XCHSNCRRSRPVMR-OAHLLOKOSA-N 357.797 2.097 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@@H]2C)n1 225900081 GSSHKBCRUKIOOR-LBPRGKRZSA-N 353.492 2.187 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 225183103 SMZMHGVSWFOVRU-OAHLLOKOSA-N 356.422 2.237 0 40 FEAB CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccon3)n2)cc1 49059230 PXDGWERBGDOMHD-LBPRGKRZSA-N 354.366 2.497 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2nc3ccccc3n2C)n[nH]1 95474785 JAJIQUIHHKYPOI-UHFFFAOYSA-N 363.425 2.244 0 40 FEAB Cc1nc(CN2CC[C@]3(CC(C(=O)NCc4ccco4)=NO3)C2)cs1 96225842 PDUXYZVDQYKKKW-KRWDZBQOSA-N 360.439 2.082 0 40 FEAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 96220678 DIRJZTZKAADNEG-KRWDZBQOSA-N 373.497 2.289 0 40 FEAB Cc1c(Br)ccc2c1N(C(=O)[C@H](C)S(C)(=O)=O)CCC2 332669713 HEZYUMAZAQVMDG-JTQLQIEISA-N 360.273 2.470 0 40 FEAB Cc1nocc1C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224361 NLUGHEBGLBLJKD-LJQANCHMSA-N 354.410 2.033 0 40 FEAB COc1cccc(CC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)c1 257313676 UTOYYNXXIOFJPC-SFHVURJKSA-N 354.454 2.419 0 40 FEAB COCCN1CCC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257327974 XDQCTKRBHKWSGN-CQSZACIVSA-N 356.426 2.138 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)n1 257234207 GSOPITQORDDPQO-SFHVURJKSA-N 355.442 2.302 0 40 FEAB Cc1ocnc1C(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257274144 NJTHZBFXTASABJ-PXNSSMCTSA-N 355.438 2.225 0 40 FEAB CCOCC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 253381763 FVLVNTPIWJUUPI-INIZCTEOSA-N 357.410 2.164 0 40 FEAB CC(C)n1nccc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257204018 ASRRTUDTYNBBDM-AWEZNQCLSA-N 363.487 2.135 0 40 FEAB Cc1cc(C[C@@H]2COCCN(C(=O)CCOc3ccccc3)C2)ncn1 257258366 KTOLDUNGEVDDAT-KRWDZBQOSA-N 355.438 2.272 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cn3cc(C)ccc3n2)C1 1775957537 ZWELSGBCHFWZCT-CVEARBPZSA-N 352.442 2.142 0 40 FEAB CO[C@@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)[C@H]1CCOC1 666562932 YNFAFTBCHWINGF-YVEFUNNKSA-N 373.384 2.463 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095886 SFQDPFQOQNSQMN-GOSISDBHSA-N 369.469 2.304 0 40 FEAB COc1ccc(C(=O)N2CC(F)(F)C[C@]3(CCN(C)C3=O)C2)cc1F 585093306 OKYJOVGJTUERPI-MRXNPFEDSA-N 356.344 2.164 0 40 FEAB COC(=O)c1cc(C)nc2nc(SCc3cc4n(n3)CCC4)nc(O)c12 593424054 QIKVCBXMYZVUIT-UHFFFAOYSA-N 371.422 2.260 0 40 FEAB O=C(CCNC(=O)Nc1nncs1)Nc1ccc(Br)cc1 56527878 NHMLSIWOABWTDG-UHFFFAOYSA-N 370.232 2.451 0 40 FEAB CC(C)COC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 58192704 MIWZMTGBTAFXCS-UHFFFAOYSA-N 362.426 2.398 0 40 FEAB COc1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 58192236 LHRWASGCFXXQSB-CQSZACIVSA-N 368.499 2.257 0 40 FEAB Fc1ccc2c(c1)nnn2C1CCN(C(=S)NC[C@H]2CCCO2)CC1 5015734 HWYMOYCLCNPDEI-CQSZACIVSA-N 363.462 2.261 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC(c2cc3nc(C)c(C)c(O)n3n2)CC1 12134042 MWTAMODNPILXRF-UHFFFAOYSA-N 368.441 2.113 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCCC3 12337036 KFGRTWBHTWFYSN-MRXNPFEDSA-N 364.409 2.081 0 40 FEAB CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)CN3CCOCC3)ccc21 12421929 DKNNSHPLFXCUAK-MRXNPFEDSA-N 360.454 2.244 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266149 XYKUFDFSESYDTC-AWEZNQCLSA-N 362.393 2.054 0 40 FEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccoc1 16202306 ZOKWICANOIFSET-UHFFFAOYSA-N 370.814 2.206 0 40 FEAB Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 16314325 QBPYXZCHVBYBCC-HOTGVXAUSA-N 368.524 2.360 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)c2cccnc21 19021665 LEDZWKYYDQGCBC-OAHLLOKOSA-N 371.485 2.320 0 40 FEAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1C1CC1 9335731 GLQQWGOORJENOK-QMMMGPOBSA-N 358.427 2.210 0 40 FEAB COC(=O)c1ccc2c(c1)NC(=O)N(c1ccc(F)cc1)S2(=O)=O 1889214613 HJOYXTILDKNDHC-UHFFFAOYSA-N 350.327 2.353 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cn(C)c3ccccc23)n1 2037716142 YARMHLKGWOBGDL-QGZVFWFLSA-N 352.394 2.196 0 40 FEAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1C[C@@H]1CCCO1 100219235 YQALYBALQFVUDQ-BHYNMZESSA-N 369.204 2.260 0 40 FEAB COc1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)nc(N(C)C)n1 575608662 XJQWEXIMGMBLGG-UHFFFAOYSA-N 370.335 2.287 0 40 FEAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCc2ccco2)c2ccsc2)n1 585148066 FPPIFJUSHDWJTA-MRXNPFEDSA-N 372.450 2.176 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2665338 CJWNRZVRQCFWAU-JRBZFYFNSA-N 363.410 2.330 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCC1 1346818 UZDAJLKNSRKDQO-NSHDSACASA-N 360.410 2.400 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1 1360720 UNDXYAJBZUJVSC-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB CN(C)CCN1C(=O)c2c(c3cccn3c3c2cnn3-c2ccccc2)C1=O 1612519 WKNLGGNWLWZGTB-UHFFFAOYSA-N 373.416 2.436 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCC(c2nc3ccccc3s2)CC1 32900015 UKYNGUFKZXYFFT-UHFFFAOYSA-N 367.496 2.053 0 40 FEAB O=C(c1cc[nH]n1)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215596 HDCQBCVWZCCVAN-UHFFFAOYSA-N 364.340 2.120 0 40 FEAB C1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)C1 33414579 KVZJGKZNHLFJSV-UHFFFAOYSA-N 374.510 2.239 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1C 8110954 LZKLIFJBEFLJRA-UHFFFAOYSA-N 354.453 2.060 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24217315 FCSNIQZFZZWRSP-OAHLLOKOSA-N 366.458 2.405 0 40 FEAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CSC2 61721980 ITWZQENUNMWEFI-JTQLQIEISA-N 360.414 2.298 0 40 FEAB O=C(NC1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1)C1CC1 57170808 FWRNPHJEHYLERB-IBGZPJMESA-N 369.509 2.416 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccsc2)C1=O 27192072 VTAIRJAUHRFJRR-QGZVFWFLSA-N 351.472 2.453 0 40 FEAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 2345312 ZXADYQGUFQMZGU-SECBINFHSA-N 359.455 2.148 0 40 FEAB Cc1cccc(CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 29023812 HZPAVXROHIKHFW-UHFFFAOYSA-N 371.462 2.206 0 40 FEAB CC(C)(CNC(=O)c1cc(Br)ccc1F)N1CCOCC1 12762031 PEUIADJELOPQBB-UHFFFAOYSA-N 359.239 2.429 0 40 FEAB CN(CCCn1c(=O)[nH]c2ccccc21)Cc1nc(=O)c2ccccc2[nH]1 12866676 ZWWOXRDNWXDHQJ-UHFFFAOYSA-N 363.421 2.088 0 40 FEAB COCCN1CCC[C@@]2(CN(C(=O)c3cccs3)CC(F)(F)C2)C1=O 306130356 JDKBHHREEBXTIL-MRXNPFEDSA-N 372.437 2.485 0 40 FEAB COc1ccc(Br)cc1CN(C)C(=O)c1ccn(C)c(=O)c1 28417542 HKBZVLAFHASNDM-UHFFFAOYSA-N 365.227 2.429 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 12995214 ULAVYOHDAWMINE-UHFFFAOYSA-N 355.369 2.321 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc(F)c1 13684905 VXTYCMSFPCGIMH-UHFFFAOYSA-N 353.353 2.499 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1-c1ccccc1 6045056 SCMPGQXTBDIOSG-UHFFFAOYSA-N 359.455 2.436 0 40 FEAB C[C@@H](OC(=O)CNC(=O)c1ccccc1Cl)C(=O)NC1CCCCC1 6083128 BKDYVDVIPVPCEL-GFCCVEGCSA-N 366.845 2.450 0 40 FEAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3nc(C)sc3c2)CC1 5279352 GWBPOWSLBGRZNC-UHFFFAOYSA-N 374.466 2.014 0 40 FEAB C=CCN1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 65492224 RHHUCZFYWJOMAW-HNNXBMFYSA-N 360.429 2.025 0 40 FEAB CCOc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 14093361 CQFDCTKUHFDOJH-FQEVSTJZSA-N 367.405 2.126 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)C1=O 5449415 MZXDOODBKYYEGG-NSHDSACASA-N 364.373 2.051 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1cc2ccccc2cc1OC 15185992 BDXNBFJUYNBTLI-UHFFFAOYSA-N 373.405 2.465 0 40 FEAB CC(=O)N(C)[C@@H](c1ccc2c(c1)OCO2)c1nnnn1-c1ccc(C)cc1 4942638 KTCJKPVJYSAHQP-SFHVURJKSA-N 365.393 2.267 0 40 FEAB COC(=O)Cc1cc(O)nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1 7029930 VCMIFMNQDLOOBX-INIZCTEOSA-N 373.434 2.010 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)nn12 9112853 ZIZWPFONSGPYFC-UHFFFAOYSA-N 359.773 2.500 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCn1c(C)nc2ccccc21 8173686 WIMKNUWWWZVTFN-UHFFFAOYSA-N 371.462 2.487 0 40 FEAB CC[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1N 97165810 RDLFOMPUFCHVNJ-APWZRJJASA-N 365.543 2.207 0 40 FEAB CCN(CC)c1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(N)n1 71771538 QQWSXDFQNALOKV-UHFFFAOYSA-N 370.862 2.400 0 40 FEAB O=C(NCCc1nnc2n1CCC2)Nc1nc(-c2cccnc2)cs1 72306213 QMGYVBNMIBMXGJ-UHFFFAOYSA-N 355.427 2.107 0 40 FEAB CCc1c(C(=O)CN2C(=O)C[C@@]3(CCSC3)C2=O)[nH]c(C)c1C(C)=O 72311156 MQZNJEMSLKCXHF-GOSISDBHSA-N 362.451 2.153 0 40 FEAB CS[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1N(C)C 95996475 YWGMZYKFXMOBOL-BQBZGAKWSA-N 355.411 2.066 0 40 FEAB O=C(NC[C@H]1CCCN(C(=O)c2cscn2)C1)c1ccncc1Cl 95973380 VKEKHXXEMMGYRO-LLVKDONJSA-N 364.858 2.474 0 40 FEAB CCOC(=O)Cn1cccc(NC(=O)COc2cc(C)ccc2C)c1=O 95973806 VJZMFBXZUDSFQE-UHFFFAOYSA-N 358.394 2.046 0 40 FEAB Cn1ccnc1[C@@H](O)[C@@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 89756781 XPVRHHJCHQCMGR-APWZRJJASA-N 362.518 2.395 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)CCOC(C)C)cc1 89887876 JZORLFBONGUKJF-QZTJIDSGSA-N 371.499 2.122 0 40 FEAB O=C1NCCN(C2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccc(F)cc1 65468575 KDHUNAUVOLMVCC-HXUWFJFHSA-N 368.456 2.358 0 40 FEAB O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CS(=O)(=O)c2ccccc21 172328021 MHJAWARGQQGOBU-DLBZAZTESA-N 357.431 2.335 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 306129749 ILQSNCWFNJGINY-IAGOWNOFSA-N 374.448 2.230 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610375 TWXYLOLRFBUGNO-ZIAGYGMSSA-N 356.488 2.365 0 40 FEAB CN(CC(=O)N1CCOCC1)C(=O)Cc1ccc(-c2ccccc2)cc1 39984967 ZKSVPSHQZDXPOF-UHFFFAOYSA-N 352.434 2.213 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1C[C@H](C)O[C@@H](C)C1 36662512 DXYSJVJARQLNGW-RWMBFGLXSA-N 351.472 2.039 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217506849 WBUVDIUAIJXXLH-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB Cc1c(NC(=O)c2ccc(Br)cc2)c(C(=O)N(C)C)nn1C 72250589 JSEKBDDFKRXYPD-UHFFFAOYSA-N 365.231 2.445 0 40 FEAB CN(c1ccc(OCC(=O)N2CCc3ccccc32)cc1)S(C)(=O)=O 47363132 UKXPRCRRSVQOIK-UHFFFAOYSA-N 360.435 2.051 0 40 FEAB N[C@@H](CCC[C@@](N)(C(=O)O)C(=O)c1ccccc1)C(=O)c1ccccc1 85479279 KCERZKANANQKNA-JXFKEZNVSA-N 354.406 2.032 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)C(=O)N(C[C@H]1CCOC1)c1ccccc12 96241402 JWWDELPSQWGMCX-OAHLLOKOSA-N 357.454 2.085 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)o1 96051305 FWIYOZKQQHHLRK-FQEVSTJZSA-N 374.412 2.362 0 40 FEAB COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(OC)nc2)COC1 96112686 CGRPPOKHHWYEKY-AWEZNQCLSA-N 354.410 2.310 0 40 FEAB biogenic,in-vitro O=C(NCCc1ccncc1)c1nc2c(s1)CCCN2c1ncccn1 96264654 NTMLQNRUIOZQJW-UHFFFAOYSA-N 366.450 2.385 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1 96159607 XUSCMKBMOUAWIM-FQEVSTJZSA-N 350.422 2.050 0 40 FEAB COCCN1CC2(CCN(Cc3nc(C)cs3)CC2)C[C@H]1COC 96208650 OHPHKVITGOIODT-INIZCTEOSA-N 353.532 2.401 0 40 FEAB COc1ccc(OCc2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 95533833 JHWXTMXMMUQSEY-SFHVURJKSA-N 370.409 2.458 0 40 FEAB Cc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)n1 247850106 AACRGMCAKMVKMM-LPHOPBHVSA-N 351.454 2.278 0 40 FEAB O=C([C@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 247805369 AQAJMVJZTZUKHI-LJQANCHMSA-N 370.453 2.011 0 40 FEAB O=C(NCCCn1ccnc1-c1ccccc1)C(=O)NCc1cccs1 85555112 HALGCIXFVRYQLX-UHFFFAOYSA-N 368.462 2.434 0 40 FEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NC(=O)OC(C)(C)C 138444364 ZLLRAQLJSFTHKR-KGLIPLIRSA-N 364.442 2.490 0 40 FEAB CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCc2cc(OC)c(OC)cc21)n1cnnn1 604419720 UOHCUFGJTWMQOS-KHIZAZIESA-N 359.430 2.081 0 40 FEAB CCN1CCN(C(=O)c2cc(-c3ccccc3OC)on2)C[C@@]12CCOC2 1615590940 NAVCNGQUIGNTTI-HXUWFJFHSA-N 371.437 2.287 0 40 FEAB O=C(c1ccnc(F)c1)N1CCN2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 585108030 XADBGBAILZOIQG-SJORKVTESA-N 373.403 2.475 0 40 FEAB O=C(N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1)C1(F)CCC1 585111347 PNPWJYBUXXCTFU-UHFFFAOYSA-N 353.348 2.419 0 40 FEAB O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCCC1 55953296 JBMPIWNNUUJKDM-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccc(O)cc2)CC1 57406130 FGIGNOZNPJGSLE-MRXNPFEDSA-N 351.450 2.492 0 40 FEAB O=C(CCSc1nnnn1-c1ccc(O)cc1)NCCc1ccccc1 58341207 UVSYDTNTPVDYRO-UHFFFAOYSA-N 369.450 2.209 0 40 FEAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCCN(C)CC2)C(C)C)cc1 97617768 UDGLXEMWERKVAP-SFHVURJKSA-N 361.486 2.004 0 40 FEAB C[C@@H](CC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)n1cncn1 12086993 WXIRRBBFDLWMFZ-HOCLYGCPSA-N 356.426 2.418 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(C)cc2)Oc2ccccc21 13680704 SKPPAPKOZDOGFZ-GOSISDBHSA-N 374.462 2.229 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3cccc(N4CCCC4=O)c3)nc2n1 16106162 BZCDXENLSVTCOB-UHFFFAOYSA-N 350.382 2.120 0 40 FEAB Cc1cccc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)n1 19236129 CAEMPBGHIGSFLJ-IFMALSPDSA-N 368.525 2.465 0 40 FEAB O=C(c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1)N1CCC(O)CC1 19401652 LZOFNGXTHNDYHV-OAHLLOKOSA-N 370.453 2.046 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2CCC(O)(c3cccnc3)CC2)c1 19551807 RJTRSQOYXQWYGU-UHFFFAOYSA-N 371.437 2.021 0 40 FEAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)CCn2cccn2)o1 19562908 OROCFLOQBDFMGF-LBPRGKRZSA-N 358.427 2.452 0 40 FEAB CNC(=O)c1ccc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19705639 UGEUGQZQYQXTFM-OAHLLOKOSA-N 371.412 2.365 0 40 FEAB CCc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)c2c(C)noc2n1 19714512 HJYOIDWDWPUUNN-MRXNPFEDSA-N 360.458 2.180 0 40 FEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2cccs2)C1=O 6394294 XBDYISGQHGBRPG-GOSISDBHSA-N 372.402 2.169 0 40 FEAB Cc1nc(C)c(F)c(N2CCN(c3ncc(Br)cn3)CC2)n1 1888856860 NPNBPUYMYPGDFZ-UHFFFAOYSA-N 367.226 2.112 0 40 FEAB CC(C)c1nccc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 1889091446 IFLUCWJGCSQGGD-UHFFFAOYSA-N 353.474 2.317 0 40 FEAB c1cc(N2CCCC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1889102661 DWTJGNLCKCFKPF-UHFFFAOYSA-N 357.487 2.132 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccncc2)cs1 755251 BYJIHQAEXLZORT-UHFFFAOYSA-N 364.386 2.440 0 40 FEAB Cc1cccn2c(=O)nc(SCC(=O)NCc3ccccc3Cl)nc12 4504209 DRCAERIKGABWIB-UHFFFAOYSA-N 374.853 2.460 0 40 FEAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 5136778 GTKOBJAPWLOFFO-UHFFFAOYSA-N 374.418 2.380 0 40 FEAB O=C(Cc1ccccc1)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745711 WJGZAWNZFBVSHJ-HNNXBMFYSA-N 353.422 2.127 0 40 FEAB CC(C)Oc1cccc(C(=O)N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c1 2055837456 DFPWLGPFFJUTSF-QFBILLFUSA-N 356.426 2.312 0 40 FEAB CC(=O)c1cc(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)n[nH]1 2055835532 ZJFBOTSEMCAEJK-SFHVURJKSA-N 372.450 2.333 0 40 FEAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc1 1775969499 VLKLSOGLGWXFSI-AWEZNQCLSA-N 365.430 2.404 0 40 FEAB O=C(Cc1ccc(Br)cc1)N1CCN(c2cccnc2)C(=O)C1 667381070 WLVNXEFPTVEIQC-UHFFFAOYSA-N 374.238 2.262 0 40 FEAB COc1cc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2cc1OC 20722829 NLCUZYVZOBTFJV-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB CCN(CC)[C@H](CNC(=O)CN1CCSC1=O)c1cccc(OC)c1 21071402 OFMSGPYFYODSJB-MRXNPFEDSA-N 365.499 2.363 0 40 FEAB COc1ccccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 861981 BNGMPKADJORIID-NVXWUHKLSA-N 370.405 2.406 0 40 FEAB biogenic C[C@@H](O)CN(c1ccccc1)S(=O)(=O)CCOc1ccc(F)cc1 78824547 IJEOPYZMRVTJEI-CQSZACIVSA-N 353.415 2.422 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)[C@H](C)Oc2ccccc2)cc1 7681223 BNCYHGPANBAQNL-HNNXBMFYSA-N 357.406 2.365 0 40 FEAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3O)CC2)C1=O 103292393 QMEMEHKQAXVOTN-GOSISDBHSA-N 365.433 2.155 0 40 FEAB CCN(CC)[C@@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl 22681680 FTCWILPLTXNQGL-HNNXBMFYSA-N 369.918 2.372 0 40 FEAB COc1cc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)ccc1O 59488411 RJTQADUQZCYYHS-YBEGLDIGSA-N 365.414 2.388 0 40 FEAB COc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)c(OC)c1OC 25247415 XRCCDLOMDCLTGO-UHFFFAOYSA-N 364.442 2.089 0 40 FEAB CCCCNC(=O)COC(=O)c1ccc(I)cc1 3294771 HRTWTZXRSYQDBO-UHFFFAOYSA-N 361.179 2.364 0 40 FEAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2c(s1)CCC2 62001754 SJOVOAFZWDNHSW-CYBMUJFWSA-N 370.434 2.101 0 40 FEAB biogenic CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 24889314 GIKZSPUETHOUCF-UHFFFAOYSA-N 373.434 2.437 0 40 FEAB CC(C)[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1C[C@@H](C)O[C@H](C)C1 106531470 WVUCXHCFROEYSO-GPMSIDNRSA-N 371.485 2.399 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCO[C@@H]2CCCC[C@@H]21 55423104 IFCWOQDPLDSKOM-ZWKOTPCHSA-N 353.422 2.080 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)CN(Cc2ccccc2)C2CC2)C1 25220510 DXEGBYAFQMLDCT-HXUWFJFHSA-N 359.514 2.124 0 40 FEAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 20152466 JTWMMVYMLXYEPH-UHFFFAOYSA-N 374.374 2.249 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)C1 35278928 NGMOXEWVPQEXKE-IRXDYDNUSA-N 358.486 2.341 0 40 FEAB CCNC(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)CC)c1 57767762 SAQFCSLBODFJDA-UHFFFAOYSA-N 360.435 2.482 0 40 FEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 57856210 OEMALIRQAYXYLO-MRXNPFEDSA-N 371.403 2.123 0 40 FEAB CCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2094845 WJFCNNSNZIFICB-AWEZNQCLSA-N 361.394 2.467 0 40 FEAB biogenic O=C(COc1ccc(Cl)c2ccccc12)NC[C@@H]1CCS(=O)(=O)C1 44720236 CPIOCOITLNURHP-LBPRGKRZSA-N 367.854 2.423 0 40 FEAB CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 24261846 QPBUKTFSEUORJU-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCCC1=CCCCC1 12852649 DCCYLRPRAJZMJW-KRWDZBQOSA-N 355.438 2.156 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 28619398 UPVKLSWFQDFFFM-BETUJISGSA-N 354.472 2.064 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCc2nnnn2Cc2ccccc2)cc1 11148423 SDFAXJOHNLCONT-UHFFFAOYSA-N 351.366 2.037 0 40 FEAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1 11318198 DUCDGWYLOXEJRB-LBPRGKRZSA-N 353.440 2.084 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 3595802 SFCDCHHSPVFQSJ-BFUOFWGJSA-N 359.426 2.443 0 40 FEAB CS(=O)(=O)N(CCCC(=O)Nc1cccnc1)c1ccccc1F 113966250 RYMXRXCTSMOSQY-UHFFFAOYSA-N 351.403 2.406 0 40 FEAB Cn1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 24230443 MZXGQXPPQPHXPM-UHFFFAOYSA-N 352.360 2.397 0 40 FEAB COc1cc2c(cc1OC)-c1cc(N3C[C@H](C)O[C@@H](C)C3)nc(=O)n1CC2 5500151 ULRPIJTWYGTVSK-STQMWFEESA-N 371.437 2.097 0 40 FEAB biogenic CCN(C1CCN(C(=O)c2cccc3c2ccn3C)CC1)S(C)(=O)=O 66854938 JPBJWGNDXFNTGR-UHFFFAOYSA-N 363.483 2.064 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc(O[C@@H](C)C(=O)O)c1 67027749 KIMGAWCYWWIMQC-XHDPSFHLSA-N 362.382 2.024 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 4999306 TXMNWCPAWGBIBY-UHFFFAOYSA-N 357.797 2.475 0 40 FEAB CCOc1cc(Br)c([C@@H]2CC(=O)N=C3N=CNN32)cc1OC 409377912 KMCNAEJMFJPZEH-JTQLQIEISA-N 367.203 2.032 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=O)N1C1CC1 8193899 LSXJHEXKFFVPHE-KRWDZBQOSA-N 359.401 2.187 0 40 FEAB CC(C)(C)OC(=O)NCCC(=O)OCC(=O)Nc1ccc(Cl)cn1 19606504 IXVICPATXPLDDO-UHFFFAOYSA-N 357.794 2.132 0 40 FEAB COc1cc([C@@H]2CC(=O)c3cn4nc(C)nc4nc3C2)cc(OC)c1OC 19816601 SQHJVKPFDMCMNN-NSHDSACASA-N 368.393 2.371 0 40 FEAB COC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 72012667 LUZRPNVLKVFPKL-JTQLQIEISA-N 366.215 2.316 0 40 FEAB COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(-c3ccc(C)cc3)no2)CC1 84171835 WRKOKJWLTDWQNW-KRWDZBQOSA-N 358.394 2.036 0 40 FEAB O=C(COc1ccccc1)NCC(=O)Nc1csc(-c2ccccn2)n1 95467373 LKUXTVRAJJAFSF-UHFFFAOYSA-N 368.418 2.339 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)COC4=O)CC2=O)cc1 95474937 NNUARALGIYWMIR-GFCCVEGCSA-N 366.373 2.357 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](CC(C)C)N2CCOCC2)cc1C 24976554 ALFCOVVVCVJOGC-QGZVFWFLSA-N 354.516 2.329 0 40 FEAB CN1CCN(C(=O)COC(=O)c2ccccc2Nc2ccccc2)CC1 32124930 HGFYAHUNKPOBJM-UHFFFAOYSA-N 353.422 2.361 0 40 FEAB O=C(N[C@@H]1CCc2nc(N3CCOCC3)ncc2C1)c1ccc(Cl)cc1 306140061 UILGYRNTSPEYRN-MRXNPFEDSA-N 372.856 2.254 0 40 FEAB Cn1nnc2c(C(=O)NCCc3ccc(OC(F)(F)F)cc3)ccnc21 548877493 ZWIVQGTURXGTPS-UHFFFAOYSA-N 365.315 2.234 0 40 FEAB O=C(CSc1nnc(Cc2ccccc2)n1C[C@H]1CCCO1)NC1CC1 35312395 PTFJTDUESRPREZ-MRXNPFEDSA-N 372.494 2.419 0 40 FEAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc2occc(=O)c2c1 524732768 MEKIMMRPOHKURD-AWEZNQCLSA-N 367.390 2.459 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)n1 528113522 GRAFPUSARKMUFR-LLVKDONJSA-N 353.350 2.210 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980027 PJJDWVHQJQIXRW-KRWDZBQOSA-N 354.406 2.187 0 40 FEAB O=C(O)C[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 550856797 XFZOFWRFKCPARF-QGZVFWFLSA-N 371.418 2.367 0 40 FEAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 72380239 OPLVDGRRXDZNAE-KRWDZBQOSA-N 371.460 2.201 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCOc4ccccc43)ccc21 223032426 NTTVQVNTPBLMHG-UHFFFAOYSA-N 360.391 2.202 0 40 FEAB CCOCCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223272117 HWZPXVJOSWQINQ-UHFFFAOYSA-N 370.515 2.392 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 44845559 MCEAKOKTCYRICP-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222822551 CPYKENYGNHJOSY-CQSZACIVSA-N 374.412 2.376 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 223042952 KPFCQGSCUNAJQL-CYBMUJFWSA-N 362.451 2.153 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCC1 223263728 IRUSRMZTWISVHN-INIZCTEOSA-N 354.472 2.299 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220293706 GSPDQETZICYXHA-AWEZNQCLSA-N 364.442 2.339 0 40 FEAB Cn1c(=O)c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc2ccccc21 85879933 NBKGNXIGMLQADX-WBVHZDCISA-N 361.445 2.320 0 40 FEAB biogenic COc1cccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)c1 95101320 IXQNTJCICKWGPJ-URLQWDBASA-N 360.410 2.131 0 40 FEAB CCn1nnc2c1CCN(C(=O)c1cn(C)c3ccccc13)[C@H]2COC 96068757 YRWUWCLOKQLZKQ-KRWDZBQOSA-N 353.426 2.176 0 40 FEAB Cc1ccccc1CN1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 96108813 FNOHAJZSORNCBG-CTNGQTDRSA-N 358.482 2.082 0 40 FEAB CCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCCC1 333593478 LNCWCXSHOXHUKH-MSOLQXFVSA-N 364.534 2.293 0 40 FEAB O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1 96226064 PVYBDQZCTROCHV-LJQANCHMSA-N 357.385 2.456 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCOC1)c1ccccc1O2 96242683 SAPQKXYXFQKSKX-WBVHZDCISA-N 358.438 2.044 0 40 FEAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)o2)CC3)C1=O 96036496 WKTBQNUCJRESNF-NRFANRHFSA-N 373.497 2.271 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N1C[C@H](N)CC[C@H]1C(F)(F)F 583619843 OTZDNXFZHIYOGS-RISCZKNCSA-N 354.376 2.479 0 40 FEAB COc1cc(N2CC3(C[C@H](OCc4csc(C)n4)CCO3)C2)ncn1 248059394 VCDUIPARRKZHMS-CQSZACIVSA-N 362.455 2.205 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245229991 JMAYTTKKIKIUGQ-FLTUCWPJSA-N 364.467 2.116 0 40 FEAB O=C(NCC[C@H]1CCOC12CN(Cc1ccccc1F)C2)c1cnccn1 247464431 CCNMKZNHFLMTBG-INIZCTEOSA-N 370.428 2.027 0 40 FEAB CCN1CCc2noc(C3CCN(C(=O)[C@@H]4C[C@H]5C=C[C@H]4O5)CC3)c2C1 249681562 BOYUYNNQPXPLPI-IIDMSEBBSA-N 357.454 2.102 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 248114541 ZPJJSGJOVQRLAB-QGZVFWFLSA-N 368.433 2.465 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)on1 253600804 ZXHQTLOXOCJWLM-AWEZNQCLSA-N 352.456 2.126 0 40 FEAB Cc1c[nH]cc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c1=O 548009192 YZXBFIVKPIKDFD-CQSZACIVSA-N 360.414 2.087 0 40 FEAB CN(Cc1ccoc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 623591085 AKXWBTDAHGUMTC-ZDUSSCGKSA-N 354.453 2.153 0 40 FEAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccccc1CCC(F)(F)F 643940819 REZBCCUDNUUSRZ-INIZCTEOSA-N 358.360 2.288 0 40 FEAB O=C(NCCc1cn2c(n1)SCC2)c1cc(Cl)ccc1-n1cncn1 648357962 FTRRWSGMNCOLMH-UHFFFAOYSA-N 374.857 2.195 0 40 FEAB NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@@H]3COC4(CCC4)C3)c2)C1 657876739 MWSIFZRNTISLRJ-OALUTQOASA-N 357.498 2.185 0 40 FEAB O=C(NCCn1ccnc1-c1ncccn1)c1ccc(Br)o1 96099070 WBZWQAYOBMAOBC-UHFFFAOYSA-N 362.187 2.126 0 40 FEAB O=C(NC[C@H]1CC12CCN(C(=O)Cc1ccc(F)cn1)CC2)C1CCC1 585101566 NGLPIDCVDZOQBQ-OAHLLOKOSA-N 359.445 2.308 0 40 FEAB O=C(Cn1nnnc1-c1ccsc1)NCCc1c[nH]c2ccccc12 1540386753 FQHCOLUVFIHTFN-UHFFFAOYSA-N 352.423 2.242 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@](CO)(Cc2cccc(F)c2)C1 1615143564 PQFAKXUZPUEBPU-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549162000 MCWDDQXEDYXMIO-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549161705 KCBGKNKQCGGLHZ-UHFFFAOYSA-N 369.343 2.177 0 40 FEAB CSc1nnc(C2CCN(CC(=O)NCc3cccs3)CC2)n1C 5001372 ROEXSPCZHWMWQG-UHFFFAOYSA-N 365.528 2.094 0 40 FEAB NC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2)sc2c1CCC2 5367696 ZTIAYWBRQWQDTP-UHFFFAOYSA-N 372.446 2.450 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2cnc3ccccc32)c1 16194104 FSIQDLOSVPZXDR-UHFFFAOYSA-N 367.361 2.248 0 40 FEAB CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)n1C 19457326 SYDCIOSZKVUUOK-JQWIXIFHSA-N 368.894 2.387 0 40 FEAB Cc1nc(C)n(CCC(=O)N2CCC[C@@H](n3nnc4cc(F)ccc43)C2)n1 12184877 BNTFQHYNALTKNC-OAHLLOKOSA-N 371.420 2.033 0 40 FEAB CC(C)(C)c1csc(CN2CCN(CC(=O)N3CCCC3)CC2)n1 22630330 IDLANRHEKUFXMP-UHFFFAOYSA-N 350.532 2.181 0 40 FEAB O=C1[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@H]2C(=O)N1Cc1ccccc1 1888859356 SEXANIXQIGAMKR-IAGOWNOFSA-N 351.406 2.169 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)cc1 1889046122 XSWUGJBIWDYKEP-SFHVURJKSA-N 365.389 2.122 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)Cc2cccc(F)c2)c1 22123584 YPIRNWMEGIKERD-UHFFFAOYSA-N 351.399 2.362 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc(C(=O)O)cc1 4776365 OIROBBRJWJTYBR-OSMZGAPFSA-N 371.422 2.239 0 40 FEAB CN(C)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 11693674 NDSMYCTXSXWIOR-UHFFFAOYSA-N 362.451 2.045 0 40 FEAB Cc1cc2c(N3CCN(c4ccc(-c5cccnc5)nn4)CC3)nccn2n1 1775974510 IGFUIZQBUPYFNE-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB C[C@H](C(=O)Nc1ccccc1C(N)=O)n1nc(-c2ccccc2)ccc1=O 44390873 LFYVQUJSDVDFPR-CYBMUJFWSA-N 362.389 2.209 0 40 FEAB O=C(c1ccccc1F)N1CCN(C[C@H](O)COCc2ccccc2)CC1 40062600 VFUGXYYLAUPBFG-SFHVURJKSA-N 372.440 2.161 0 40 FEAB Cn1c(CN2CCCC[C@@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O 40024435 FAMRYQQVXAHMSV-OAHLLOKOSA-N 370.478 2.421 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCC1 40142420 CAHOCCHXJDUWLL-UHFFFAOYSA-N 373.428 2.072 0 40 FEAB C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20289879 SAKDREZAERTDNH-DTQAZKPQSA-N 350.378 2.037 0 40 FEAB O=C(COc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1O)N1CCCC1 51188195 HLIJYORSZQUKKJ-SIKLNZKXSA-N 366.461 2.436 0 40 FEAB COc1cccc(OCc2nnc(SCC(=O)NC(C)(C)C)n2C)c1 904896 NYKSDUXRGHAWNY-UHFFFAOYSA-N 364.471 2.410 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1 76097401 ZOHZFAGWQHUONX-UHFFFAOYSA-N 364.409 2.291 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)NS(=O)(=O)N1CCCCC1 52795804 ZFMBSCXZKVXFDT-UHFFFAOYSA-N 363.439 2.039 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccccc2)o1 6544375 UMZCESZJAXCTCN-UHFFFAOYSA-N 362.345 2.190 0 40 FEAB COc1cccc(-c2nc(C(=O)OC[C@@H]3CCC(=O)N3)cs2)c1OC 72271163 UFQSQKULYROCEO-JTQLQIEISA-N 362.407 2.263 0 40 FEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 7323154 SHIYGEOCUBSVLX-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCCCN(C)S(C)(=O)=O 41333787 JIUNAHMHWWRCQL-CQSZACIVSA-N 371.503 2.182 0 40 FEAB COc1cccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1 21983607 FULQLTRZUDNCII-UHFFFAOYSA-N 360.373 2.474 0 40 FEAB O=C(NCc1ccccc1Cn1cncn1)c1cc2ccccc2oc1=O 33105323 SVBTVUPHXSLKAE-UHFFFAOYSA-N 360.373 2.363 0 40 FEAB CCOC(=O)N1CCN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 22087462 NGDGDCGGEUGHIB-LLVKDONJSA-N 364.471 2.437 0 40 FEAB NC(=O)COc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2)cc1 102882339 MJICJQDIPPZJRO-XUTLUUPISA-N 367.430 2.203 0 40 FEAB CCCCNC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556172 PHSGUVCDFOULGY-UHFFFAOYSA-N 371.441 2.033 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1 936304 NHTNTGHXVCAXJM-ONNFQVAWSA-N 362.407 2.003 0 40 FEAB CC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NC2CCCC2)cc1 24257791 NXRIQUNAUZJMOS-UHFFFAOYSA-N 360.458 2.395 0 40 FEAB Nn1c(SCc2nnnn2-c2ccccc2)nnc1C1CCCCC1 24950805 ZMENQRJTXCQOKX-UHFFFAOYSA-N 356.459 2.308 0 40 FEAB CCCc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)[nH]n1 25297798 DNULXWPERYCTAY-LBPRGKRZSA-N 367.413 2.406 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 26358069 UYGRVEPHLAYNND-UHFFFAOYSA-N 366.508 2.367 0 40 FEAB O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCS(=O)CC1 108272510 PEOPLSOIPCMFTL-UHFFFAOYSA-N 359.220 2.274 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1=O 8481920 RZAFOQFXSPNGGS-AUSJPIAWSA-N 357.454 2.348 0 40 FEAB Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(-n4cncn4)nc3)c2)cs1 48252970 XBLDVUBSVQRPPA-UHFFFAOYSA-N 365.422 2.352 0 40 FEAB C[C@@]1(NC(=O)CSCc2ccc(Cl)s2)CCS(=O)(=O)C1 44516319 DGAWCFRLGLZMIH-GFCCVEGCSA-N 353.918 2.328 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(C)nc2ccccc12 3366691 WUIOEPBRPWCBIZ-UHFFFAOYSA-N 358.394 2.160 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 3323533 JCICERLHOMSMQN-WCQYABFASA-N 362.492 2.140 0 40 FEAB CC(C)CN1C(=O)C(=O)N(Cc2nn(-c3ccccc3)c3c2CCC3)C1=O 58191520 XJPYFDGGUXZCTK-UHFFFAOYSA-N 366.421 2.308 0 40 FEAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)c(OC)cc1C 58171682 FYGZJVSAXNZMBD-ZDUSSCGKSA-N 371.455 2.119 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)c1 58179886 GDVHIXLECNIWDD-LJQANCHMSA-N 371.393 2.311 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)Nc1ccc2c(c1)CCO2)C(F)(F)F 58160126 AGTKXUPTBRHPCZ-OAHLLOKOSA-N 355.316 2.134 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)n1cccn1 58246397 HARGOGOARZKQDA-MAUKXSAKSA-N 372.444 2.275 0 40 FEAB O=C(NCCO)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 58268394 VSVIHRUSIMXIEZ-UHFFFAOYSA-N 359.348 2.058 0 40 FEAB Cc1ccc2c(c1)S[C@H](C(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 11405174 KTQIOJOLIBJRPT-AWEZNQCLSA-N 359.451 2.298 0 40 FEAB CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n[nH]1 48366123 KQYPOAZPEBASIO-KBPBESRZSA-N 357.458 2.472 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306142218 WTPMXYUYKMZXHY-CGTJXYLNSA-N 355.413 2.349 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2cc(Br)c[nH]2)cc1 12980248 IWOVXZQMAWETRZ-UHFFFAOYSA-N 367.199 2.259 0 40 FEAB O=C(O)C1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)CC1 28296881 NPXMDHRBZFPRHP-GXDHUFHOSA-N 374.418 2.046 0 40 FEAB Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1 17480694 VYPRQRBTUFIHTQ-UHFFFAOYSA-N 351.428 2.167 0 40 FEAB CC[C@H](On1nnc2ccc(C(=O)OC)cc21)C(=O)Nc1ccccc1 8726457 KISGHSKMARUULQ-INIZCTEOSA-N 354.366 2.064 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8769125 MMZPIQMMKGSMIQ-ZDUSSCGKSA-N 370.421 2.154 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)Cn2nc(O)c3ccccc3c2=O)cc1 14077143 SDZWONDOEOKGGC-ZDUSSCGKSA-N 367.405 2.378 0 40 FEAB CCOC(=O)c1c(Nc2nc3nonc3nc2N)sc2c1CCCC2 5461324 YLZCNBJCAXWXKA-UHFFFAOYSA-N 360.399 2.456 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)Cc2ccc3c(c2)CCCC3)no1 96001018 IKWBVDQQSDAWOZ-QGZVFWFLSA-N 371.437 2.237 0 40 FEAB CC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 5664097 NBHJNIFEFHOFBC-UHFFFAOYSA-N 359.403 2.184 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccccc2F)[C@@H]1C 4979613 ORDGUPMJGLJWMI-XJKCOSOUSA-N 364.417 2.040 0 40 FEAB COc1ccccc1CC(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 7035314 DMSTZUMLRBQSEO-UHFFFAOYSA-N 356.378 2.378 0 40 FEAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2ccccc2CC1 7987081 GHQANFNXUSBNRW-MRXNPFEDSA-N 369.508 2.203 0 40 FEAB Cc1ccnc(SCc2cc(O)n3nc(-c4cccnc4)nc3n2)n1 9483253 CEDYVTUUAUXNAJ-UHFFFAOYSA-N 351.395 2.283 0 40 FEAB CN1CCCc2cc(C[C@H]3[C@H](O)c4ccccc4S(=O)(=O)N3C)ccc21 9423270 DXUXQENNAZYJBA-AZUAARDMSA-N 372.490 2.348 0 40 FEAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1 71818282 KMPSUEJOFYNXBA-UHFFFAOYSA-N 363.391 2.276 0 40 FEAB COc1ccc(-c2csc3nc(CN4CCOCC4)[nH]c(=O)c23)cc1 19926607 QBNHYWGOFGRSQO-UHFFFAOYSA-N 357.435 2.492 0 40 FEAB COCCCN1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1 61969178 ZHUSRJGDIAMRHR-UHFFFAOYSA-N 361.394 2.005 0 40 FEAB COc1ccc(C(=O)NC2(C)CCC2)cc1S(=O)(=O)N1CCCC1 95437794 OWPHWPIUOSBZNW-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 95977074 OGJDYOJLDIREIH-STQMWFEESA-N 355.479 2.005 0 40 FEAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408555932 BIDGICJWGPKFPA-CQSZACIVSA-N 364.467 2.049 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(CC4CC4)C[C@H]2C3)cc1 306132417 LIBCCSOTGPGYFE-HUUCEWRRSA-N 367.453 2.053 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(Br)cc1 409376427 XZHUSBQKIZRHBB-FJJYHAOUSA-N 352.184 2.432 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1 36101776 YWPYXPFCGRSSJG-UHFFFAOYSA-N 369.240 2.366 0 40 FEAB Cc1cccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)c1 36614802 HGZGJJYXNRRWAV-UHFFFAOYSA-N 370.425 2.093 0 40 FEAB C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 1556717282 GWBZVHDLQOMNGJ-JEOXALJRSA-N 366.421 2.235 0 40 FEAB COc1cccc2c(N3CC[C@@H](n4cc(C(=O)O)nn4)C3)c(C)cnc12 515054318 QXYDMMAHASRDKT-GFCCVEGCSA-N 353.382 2.293 0 40 FEAB O=C(Nc1cnc(CC2CC2)nc1)N1CCC[C@@H](N2CCCC2=O)CC1 518496551 PDTIMWGOPBOLHJ-MRXNPFEDSA-N 357.458 2.438 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)cc1 408637058 WTNFGZQFGLQUBG-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB O=C(CNC(=O)C1CC1)Nc1nc2ccccc2n1CCc1ccccn1 531124742 YQHXRQUOFRLUFK-UHFFFAOYSA-N 363.421 2.139 0 40 FEAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1 70636528 RMSRUYNFKSOZJB-INIZCTEOSA-N 352.312 2.191 0 40 FEAB CCNc1cc(C)nc(NCCNC(=O)Nc2ccc3c(c2)OCCO3)n1 62012614 FRERWTYPZXSZMB-UHFFFAOYSA-N 372.429 2.222 0 40 FEAB CCC(C)(C)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225103808 SXUUXMTWGYVIFW-UHFFFAOYSA-N 356.488 2.183 0 40 FEAB CO[C@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96109484 NPWDHICXGNLPMA-ZCNNSNEGSA-N 356.470 2.408 0 40 FEAB O=C(Nc1ccccc1F)N1CCn2nnc(COc3ccccn3)c2C1 96255993 SATHPNZGONHSNW-UHFFFAOYSA-N 368.372 2.439 0 40 FEAB COc1cccc(CN2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)c1 96244009 QEKWDKKNADOBQN-FQEVSTJZSA-N 354.454 2.225 0 40 FEAB Fc1cnc(N2CCOC[C@]3(CCCN(Cc4cccnc4)C3)C2)nc1 96229207 QXODWQBWLRJXDD-IBGZPJMESA-N 357.433 2.130 0 40 FEAB Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Cc3ccsc3)C2)n1 90592041 UGSGNSFJQAVEIJ-CQSZACIVSA-N 369.450 2.439 0 40 FEAB Cc1cccc(OC[C@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 95117186 PWPWSQQGCFDNSE-MRXNPFEDSA-N 353.415 2.340 0 40 FEAB O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2)N1CCCC1 96208062 SDWOGMACJARCAR-QUCCMNQESA-N 358.486 2.258 0 40 FEAB COc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1 244366113 XWLSPPRPURXANW-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516787 WXMVYJRRSNSDMK-QRVBRYPASA-N 361.463 2.287 0 40 FEAB C[C@]1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1 257340960 ZIGMYAMIWOGIAT-OAQYLSRUSA-N 374.481 2.381 0 40 FEAB C[C@](O)(CNC(=O)C(=O)NCc1ccco1)c1cc2ccccc2s1 253394084 ACDYHAGTZCUKDR-SFHVURJKSA-N 358.419 2.134 0 40 FEAB Cc1nc(C[C@H]2CCCN(Cc3ccccn3)C2)cc(C(=O)N(C)C)n1 257288808 PVUNPWVUODYBQJ-MRXNPFEDSA-N 353.470 2.337 0 40 FEAB CCCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)cc1 85472993 KBAWASVRMJLHFX-UHFFFAOYSA-N 366.483 2.251 0 40 FEAB Cn1nncc1C(=O)N1CCC[C@@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]21 1775991473 MMSAFFVFKNAULR-SJORKVTESA-N 373.501 2.239 0 40 FEAB CC(C)c1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 585295361 WPLDDXSWYZZUKF-LNRXMEIDSA-N 355.478 2.320 0 40 FEAB CO[C@H]1CCCN(C(=O)CCn2ccccc2=O)[C@H]1Cc1ccccc1 585270665 AASGWGBOKTVJLF-OALUTQOASA-N 354.450 2.487 0 40 FEAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc[nH]2)CCO1 585274026 YOTUKXXVSSPKNS-GOSISDBHSA-N 363.845 2.194 0 40 FEAB C[C@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)NCc1ccccc1 55344870 QNYYUKPJOOBDOH-ZDUSSCGKSA-N 350.374 2.228 0 40 FEAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2COc3ccccc3O2)CC1 57173322 DMDXWNQGHKUAOF-MRXNPFEDSA-N 362.426 2.342 0 40 FEAB NC(=O)CC1(NC(=O)CSCc2ccc(Cl)cc2)CCOCC1 75094277 OWJZWLGEQUFLJV-UHFFFAOYSA-N 356.875 2.114 0 40 FEAB COCc1noc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n1 513834326 RYSQIHXRIMHARP-VIFPVBQESA-N 361.324 2.431 0 40 FEAB CN1CC[C@H]2CC(=O)N(CC3CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534604407 DSWWKRFLOUSRNO-FHWLQOOXSA-N 366.546 2.381 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)n[nH]2)c1C 12115782 ARHNQZTXDWYCEY-HNNXBMFYSA-N 351.414 2.369 0 40 FEAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NC3CCCCC3)c(=O)n12 12181917 YZKVULRGQHGFOT-UHFFFAOYSA-N 368.437 2.415 0 40 FEAB COCC(=O)N[C@H](C)Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 12337274 SAPDBAOEUIMFEM-LLVKDONJSA-N 356.344 2.480 0 40 FEAB O=C(COc1ccc(F)cc1F)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 12365095 FZLBNEIYZHLQNZ-LLVKDONJSA-N 373.363 2.416 0 40 FEAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 15674426 MYWLMAMWYGTSBC-WBVHZDCISA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 16016080 PGGACJLJRYNDEL-MRXNPFEDSA-N 351.406 2.033 0 40 FEAB O=C(Nc1ccc(F)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850884 UXWHENGZRMWEGK-CYBMUJFWSA-N 363.414 2.123 0 40 FEAB CC(C)C(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19085223 QEVGWRFONRQJTO-UHFFFAOYSA-N 354.458 2.362 0 40 FEAB Cc1ccc(=O)n(CC2(O)CCN(Cc3cn(C)c4ccccc34)CC2)n1 19131377 UJVUNTNPBXKBLD-UHFFFAOYSA-N 366.465 2.071 0 40 FEAB COc1cccc(OC[C@H]2CCCN(CC(=O)Nc3cnn(C)c3C)C2)c1 19658908 PKHHMOWKDYUADH-INIZCTEOSA-N 372.469 2.467 0 40 FEAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 19706184 OGJOFSDZFJGVOB-QGZVFWFLSA-N 371.460 2.201 0 40 FEAB C[C@H](Cc1ccncc1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 547486136 GRQXKNMMWIOULX-CQSZACIVSA-N 359.451 2.012 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888863547 OKAGVFXEVSJXEP-LMMKCTJWSA-N 364.449 2.217 0 40 FEAB Fc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c(F)c1 1889180470 JMRUOUBRGHGQCX-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NCCn1ccc2ccoc2c1=O 245171785 XVEATGSJUMMVNR-UHFFFAOYSA-N 350.378 2.220 0 40 FEAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 4370546 ZAKXUVAPHRDGSC-UHFFFAOYSA-N 371.828 2.254 0 40 FEAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1OC 4460461 YTLUPIQXIOUUPD-DACLVMHWSA-N 353.418 2.444 0 40 FEAB CCCCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823842 ZAUDBXYQODZDCC-UHFFFAOYSA-N 365.441 2.049 0 40 FEAB COc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)cc1OC 11738627 YCRVKUUNTBUUAR-UHFFFAOYSA-N 362.411 2.183 0 40 FEAB Cc1noc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)n1 1775973125 ACYMHGHNZISWNH-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB COCCN1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 23127363 VWOSSOINXNBYBL-UHFFFAOYSA-N 361.486 2.025 0 40 FEAB CN(C)c1cc(-n2cnc(C(=O)NCc3ccccc3Cl)c2)ncn1 49411354 MLCQZRCEMYEPLV-UHFFFAOYSA-N 356.817 2.312 0 40 FEAB Cc1cc(C(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)c(C)o1 585593320 QFKAQSLOQKQVFP-UHFFFAOYSA-N 366.425 2.172 0 40 FEAB COc1nc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)ncc1Br 2298042584 YONWMIWXQSYOHW-PHIMTYICSA-N 353.264 2.168 0 40 FEAB Cc1cc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n2nc(C)cc2n1 2298076600 NWPABCUDPVFFTC-UHFFFAOYSA-N 365.441 2.046 0 40 FEAB COc1ccccc1-c1nc2n(n1)[C@@H](c1cccnc1)C(C(N)=O)=C(C)N2 4189633 ZPIIPWSXYKZXFQ-INIZCTEOSA-N 362.393 2.123 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3cccc(O)c3)c(=O)c2cc1OC 32096850 DMYOXESTNNOLKE-UHFFFAOYSA-N 369.377 2.148 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccccn2)cs1 101510934 ZGBLMESKSPROLP-RYUDHWBXSA-N 370.434 2.319 0 40 FEAB COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 597368 JKDBLHWERQWYKF-JLSDUUJJSA-N 350.484 2.038 0 40 FEAB investigational O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 75909906 OHVZWRXTWHYQKQ-SJKOYZFVSA-N 361.833 2.083 0 40 FEAB Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 880764 AOVJHMXIOAWJMX-UHFFFAOYSA-N 350.403 2.462 0 40 FEAB CCN(CC)C(=O)CSc1nnc(COc2ccccc2OC)n1C 904626 OICVIJLLWKMGEJ-UHFFFAOYSA-N 364.471 2.363 0 40 FEAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 29994893 PLBPTGCOJVEWLL-SECBINFHSA-N 374.418 2.225 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)cc1C 32885241 INWMLJFBKGFLQB-UHFFFAOYSA-N 372.494 2.305 0 40 FEAB Cc1cc(Cl)c(Cl)cc1C(=O)CCNC(=O)[C@H](O)C(C)(C)CO 1676593 JNKGGFUQXBYSFQ-AWEZNQCLSA-N 362.253 2.370 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2ccccc2F)CCN1c1ccccc1F 78671053 ZDRYCTRYNCEKKG-ZDUSSCGKSA-N 352.362 2.049 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nc(C)nc4c3cnn4C)C2)n1 79858658 YAIQKNATTFKWHX-AWEZNQCLSA-N 365.441 2.230 0 40 FEAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885418 ZGZCDLPPASRPHK-ULMVMLMRSA-N 368.389 2.052 0 40 FEAB CC(=O)NCC(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 6426637 FDRYWPZSBOYCEX-UHFFFAOYSA-N 369.373 2.076 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 108899434 GBQXAAOANBJVOQ-BNBDDXAPSA-N 367.430 2.350 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 53316238 FXYZBCCHQICAPW-UHFFFAOYSA-N 368.402 2.016 0 40 FEAB O=C(N[C@@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1133444 VRFUCLCZLADMLG-KBPBESRZSA-N 350.205 2.468 0 40 FEAB Cc1c2c(=O)n(-c3nc4ccccc4[nH]3)[nH]c2cc(=O)n1Cc1cccnc1 1408258 YAROCZVGAFYKGH-UHFFFAOYSA-N 372.388 2.109 0 40 FEAB CN(C(=O)Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1)c1ccccc1 55766153 LCZRZLQFOJOCGH-SFHVURJKSA-N 354.406 2.246 0 40 FEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1 26767923 FGYKPVKMJCZIJA-IAGOWNOFSA-N 366.483 2.343 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)c2cccnc2SC(C)C)CC1 48003312 NDWFZYLYHHPRCW-UHFFFAOYSA-N 371.528 2.126 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)c1 58191251 YBQDOCIAVFMCLD-KRWDZBQOSA-N 359.407 2.162 0 40 FEAB COC(=O)c1ccc(CSc2nnc(N3CCOCC3)s2)cc1 58358124 YSPUQPRCLWTHIH-UHFFFAOYSA-N 351.453 2.454 0 40 FEAB O=C(Nc1ccccn1)C1CCN(Cn2c(=O)oc3ccccc32)CC1 48289118 RESGPGKGQLQCNH-UHFFFAOYSA-N 352.394 2.298 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccnc3ccccc13)CC(=O)N2 36354640 RSEQGRMDIBVJPL-CQSZACIVSA-N 372.388 2.286 0 40 FEAB CC(C)c1ccccc1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10926171 AASVREDZCYGVBH-UHFFFAOYSA-N 353.378 2.357 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCC[C@@H](C)C3)CC2=O)cc1 28831868 WDWIXGHKOJDNEA-CVEARBPZSA-N 358.438 2.150 0 40 FEAB O=C(O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 45795997 ZZVGLQZLGOGXIQ-HNNXBMFYSA-N 364.405 2.141 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 17335262 UOPMVHQZXHYHIS-UHFFFAOYSA-N 352.456 2.489 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 5094647 JEXPGBLKZFOEBZ-UHFFFAOYSA-N 355.369 2.082 0 40 FEAB Cc1ccccc1OCCN(C)CCC(=O)Nc1sccc1C(N)=O 8727400 GDWTUCIYZHOZBC-UHFFFAOYSA-N 361.467 2.495 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 8710923 AHPZCTJEDDYQEK-UHFFFAOYSA-N 373.478 2.094 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1F 5314605 XPZANBFYRZTWFG-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14140209 ZUWBORXIUKHYOG-CQSZACIVSA-N 351.406 2.266 0 40 FEAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccccc2)N1 14606994 SADNDWRPNZSFDF-OAHLLOKOSA-N 352.394 2.380 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 8944966 IQLJFEFNZOORGG-QGZVFWFLSA-N 373.478 2.415 0 40 FEAB CCOC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 8939755 LXBVHUHIFAQINA-AWEZNQCLSA-N 371.441 2.313 0 40 FEAB CCOC(=O)c1ccc(-n2nnnc2C2(N)C3CC4CC(C3)CC2C4)cc1 15414419 YNSHGCZOTIDOAS-UHFFFAOYSA-N 367.453 2.449 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)c1 8247275 SQTLAFAZFAYTLZ-OAHLLOKOSA-N 354.406 2.373 0 40 FEAB CCOC(=O)C1=C(COC(=O)CCc2ccc(CC)cc2)NC(=O)N[C@H]1C 8392665 SPKPRWOMVCRZIR-ZDUSSCGKSA-N 374.437 2.243 0 40 FEAB Cc1cc(C)c2c(C)c(C(=O)O[C@H](C)C(=O)N3CCNC3=O)sc2n1 9338512 KCRRIWBOQGGGOO-LLVKDONJSA-N 361.423 2.319 0 40 FEAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 71846911 ZMUIUMJFKSVECP-APXPCNQMSA-N 350.396 2.030 0 40 FEAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccc2c(c1)OCCO2 9690302 OXRSFCXOVCJBQV-UHFFFAOYSA-N 371.780 2.460 0 40 FEAB COC(=O)c1ccc(OC(C)C)c(NC(=O)c2nccnc2C(=O)O)c1 72401565 FRKBQKNUWCPUKC-UHFFFAOYSA-N 359.338 2.001 0 40 FEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 84507122 ZPFJICBRZCHMCE-VIFPVBQESA-N 353.318 2.213 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc2nsnc2c1 95456809 MBGSKCRVULOICI-GFCCVEGCSA-N 359.436 2.391 0 40 FEAB Cc1ccc(CCNC(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)cn1 95957632 LCFDVPOJBASHKY-UHFFFAOYSA-N 370.453 2.438 0 40 FEAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1cccc(-n2cnnc2)c1 1547212367 YVDPFJYOLVQDQH-UHFFFAOYSA-N 360.377 2.252 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C(N)=O)C1 35898030 WJXNWJJEIAMYHI-QJPTWQEYSA-N 365.499 2.020 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(Cc2nc3ccccc3o2)CC1 34863257 ZHZYGUPXSFVHLL-UHFFFAOYSA-N 363.464 2.396 0 40 FEAB COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC4CC4)o3)n2)cc1 36357938 DOWAAUHAHZVOCH-UHFFFAOYSA-N 361.379 2.446 0 40 FEAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72360089 VLDRIVHEGNISCF-CQSZACIVSA-N 350.430 2.421 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 75441826 AFEPPFZVNUTOSO-UHFFFAOYSA-N 361.405 2.070 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)CCc1cnn(-c2ccccc2)c1 45750012 BSPXIUXPZGRASO-GOSISDBHSA-N 352.438 2.075 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCc2nnc(N)s2)c(Cl)c1 222641838 GIYWSICBJDKFJH-UHFFFAOYSA-N 362.864 2.041 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCN2CCCCCC2=O)c1 48154346 LARWTPNWTZNKJD-CQSZACIVSA-N 363.458 2.467 0 40 FEAB CCCCNc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1 41107889 PVLHHKQEGZZJJI-UHFFFAOYSA-N 371.470 2.205 0 40 FEAB COc1ccc(C)cc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O 223675651 LXEZOEIAKGQAMC-UHFFFAOYSA-N 368.499 2.466 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1C 223868728 NTPFWSSCYHWUIL-UHFFFAOYSA-N 363.435 2.311 0 40 FEAB CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1 225926883 KAUFNIFHDWPZRC-UHFFFAOYSA-N 358.438 2.443 0 40 FEAB COc1cc(C)n(CCNC(=O)c2ccc(OC(F)(F)F)cc2)c(=O)c1 225615064 ULIQNLPSVRRUSW-UHFFFAOYSA-N 370.327 2.494 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237886 JYXNDDAHZXIPHI-HXUWFJFHSA-N 371.412 2.290 0 40 FEAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)c1ccccc1)CC2 96209178 GLFODPIAZHYUNN-GOSISDBHSA-N 356.466 2.424 0 40 FEAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](N(C)Cc1ccccc1)CO2 96221048 ASGPTVVMYVMJLF-SFHVURJKSA-N 366.527 2.482 0 40 FEAB CN(C)CC(=O)N1CCC2(CC1)C(=O)N(c1cccnc1)c1ccccc12 96078909 SQDQKDPSGIYTAH-UHFFFAOYSA-N 364.449 2.182 0 40 FEAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2NC1=O 252511281 ZWLUDVIHLQHYLD-BLLLJJGKSA-N 368.455 2.034 0 40 FEAB COc1ccc2cc(C(=O)NCc3cc(-c4cnccn4)nn3C)[nH]c2c1 253471842 FZJIVDBQCFYGKC-UHFFFAOYSA-N 362.393 2.297 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)C1 257220766 DMBKLNAFVBTZGA-ZDUSSCGKSA-N 352.442 2.281 0 40 FEAB CC(=O)N1CC[C@@H](NC[C@H](O)Cn2c3ccccc3c3ccccc32)C1 622017162 DBJNKFAFJUXULQ-SJORKVTESA-N 351.450 2.366 0 40 FEAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(N3CCCC3=O)cc2)C1 622760748 DOSLGHFKZHIPNI-OCCSQVGLSA-N 355.360 2.308 0 40 FEAB O=C(O)[C@H]1CN(C(=O)NCC(c2ccccc2)c2ccccc2)CCO1 666513129 FNBGRHAUHRGYAT-GOSISDBHSA-N 354.406 2.314 0 40 FEAB COC1(CNC(=O)C(=O)NCc2cccs2)C2CC3CC(C2)CC1C3 96123910 HKBPIFGSMGJLJO-UHFFFAOYSA-N 362.495 2.322 0 40 FEAB CCCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575425302 XVDBZCXBKGFOAV-HNNXBMFYSA-N 369.483 2.176 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)N(C)Cc2ccccn2)C1 585095829 OCZHHVMWPPVYHW-SFHVURJKSA-N 369.469 2.256 0 40 FEAB C[C@@H]1COc2ccccc2CN1C(=O)Cn1c(=O)n(C)c2ccccc21 679863037 WYDVCSOAERVDKS-CQSZACIVSA-N 351.406 2.150 0 40 FEAB CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595043 RRWNVPHBQMDTBE-ZTFGCOKTSA-N 365.449 2.009 0 40 FEAB Cc1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)CCN(Cc1ccccc1)C2 19286195 XKPREGHBAQYBTH-QGZVFWFLSA-N 365.481 2.045 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 19289360 VUIVEIZREXWONB-CYBMUJFWSA-N 351.410 2.392 0 40 FEAB CC1CCN(c2nc([C@@H](C)NC(=O)Cc3ccccc3)cc(=O)[nH]2)CC1 19497005 IRPZYFQXEYUBTI-OAHLLOKOSA-N 354.454 2.426 0 40 FEAB CCCC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19501489 QBHAFGJITTYYQX-OAQYLSRUSA-N 367.449 2.174 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ncc2C1 19018324 GDYLNFHAECPBLO-INIZCTEOSA-N 356.470 2.277 0 40 FEAB CC(C)N[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 594750397 SZMKTWRFOYFMLQ-GOSISDBHSA-N 359.518 2.473 0 40 FEAB O=C1[C@@H]2CN(c3nc4cnccc4s3)C[C@@H]2C(=O)N1c1ccccc1 1888890287 LLADBQSGKHZXQM-BETUJISGSA-N 350.403 2.317 0 40 FEAB CSc1nc(C2CC2)cc(N2CCN(c3nccn4nccc34)CC2)n1 1888903935 HQFCHHUAEHADAD-UHFFFAOYSA-N 367.482 2.445 0 40 FEAB CC(=O)N1[C@@H](CNC(=O)c2cccnc2C)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 1848354236 MMZREKCYRXNNQN-PHXBYCTMSA-N 359.470 2.050 0 40 FEAB Cn1cc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)cn1 1776008277 BLNPPTZXPARNIA-LBPRGKRZSA-N 366.263 2.264 0 40 FEAB CCc1c(C)ncnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 1776009754 PHBRRYJZGQWDLD-UHFFFAOYSA-N 352.364 2.483 0 40 FEAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 2056223340 GSMNEHQIGONJQB-HXUWFJFHSA-N 362.518 2.392 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1 2242101216 AQTNUGRRZDRZIA-UHFFFAOYSA-N 371.441 2.489 0 40 FEAB Cc1cc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n2nccc2n1 2087047201 DRAKHDWJZBBIPF-UHFFFAOYSA-N 362.441 2.024 0 40 FEAB C[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 4479662 JMSCYCRGTCUGDY-KGLIPLIRSA-N 359.426 2.005 0 40 FEAB O=C(c1cncc(F)c1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775974651 KSOSUNHDLJXNBC-UHFFFAOYSA-N 366.396 2.483 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cc1F 19214429 PQIACJHKCFMTRX-OAHLLOKOSA-N 367.428 2.467 0 40 FEAB COc1ccc2c(ccn2CCC(=O)N[C@@H](CCSC)C(=O)O)c1 20762564 FPNFDBMMSHOFFG-AWEZNQCLSA-N 350.440 2.363 0 40 FEAB biogenic COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)c1 20723567 IIHFBKDTKUZJPU-OAHLLOKOSA-N 363.377 2.476 0 40 FEAB Cc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(F)cc3)n2)cc1C 21149165 CXSXYTPGKFAKOZ-UHFFFAOYSA-N 354.385 2.446 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CC[C@@H]1NC(=O)NC1=O 32747976 TXMIILJLVFXCPE-INIZCTEOSA-N 359.470 2.248 0 40 FEAB NC(=O)[C@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 32870798 QDGUFKXXNWFSGR-IBGZPJMESA-N 365.477 2.480 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NCc3cccnc3-n3ccnc3)ccc21 29913666 RHQKLYSSMZPLAU-UHFFFAOYSA-N 361.405 2.106 0 40 FEAB O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccccn2)nc2c1CCNC2 77319498 MAJUIRZDBKMUHK-RBUKOAKNSA-N 359.433 2.255 0 40 FEAB COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 8565646 XTGHZQKQVWVUAO-IBGZPJMESA-N 365.389 2.328 0 40 FEAB COc1ccccc1CC(=O)N1CCC(NCc2nc(C)ccc2O)CC1 103344638 SNUZXVSKBDACTL-UHFFFAOYSA-N 369.465 2.428 0 40 FEAB CCN(C[C@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 53434776 KCJLUKKIVZKUIS-MRXNPFEDSA-N 368.499 2.357 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccncc1 22621971 DFLLGWHPNATCMB-CYBMUJFWSA-N 359.451 2.285 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCC2)cc1 54360482 WOBAZBIJANLSRQ-UHFFFAOYSA-N 358.463 2.446 0 40 FEAB CN(C)C(=O)c1nnc2sc(-c3cccc(Br)c3)nn12 57354707 YPAFBEFLZJNTMP-UHFFFAOYSA-N 352.217 2.317 0 40 FEAB O=C(Cn1ccccc1=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 9389864 GSZYAVRNFOFMIN-UHFFFAOYSA-N 366.402 2.105 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C 9602930 QOWCUMYXDKEHJC-SECBINFHSA-N 367.862 2.462 0 40 FEAB Cc1csc(=O)n1CCCC(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 26585145 KNPUQURDFBHHIX-JSGCOSHPSA-N 354.472 2.237 0 40 FEAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3F)C2=O)c(C)o1 58185954 IGWFRDTUWOWJRW-IBGZPJMESA-N 373.384 2.119 0 40 FEAB Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3280842 OBQHZKQUWROSCV-UHFFFAOYSA-N 369.373 2.439 0 40 FEAB Cc1cc(=O)c(C(=O)NCCN(C)c2ccccc2)nn1-c1ccccc1 12613212 VHURIPGWPAUGBL-UHFFFAOYSA-N 362.433 2.407 0 40 FEAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 62720464 CLHKCYYOXBCUTP-SECBINFHSA-N 359.817 2.173 0 40 FEAB CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1 2425811 CWNCNFGAZRFOBW-UHFFFAOYSA-N 373.482 2.168 0 40 FEAB Cc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8752199 DSYRMGYKPJKJDT-FQEVSTJZSA-N 365.389 2.163 0 40 FEAB O=C(Nc1ccccc1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13685296 FHJDOYNRLVWEMZ-CQSZACIVSA-N 359.451 2.374 0 40 FEAB O=C(CSc1nc(O)cc(=O)n1Cc1ccccc1)N1CCCCCC1 13957062 OJLUUSWZZPGBRU-UHFFFAOYSA-N 373.478 2.492 0 40 FEAB COc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)nc2)cc1OC 14050380 VZWJCYXILOIODS-UHFFFAOYSA-N 357.410 2.496 0 40 FEAB CCCCn1nnnc1COC(=O)C[C@H]1Sc2ccccc2NC1=O 5473564 KKAFPBPRSPUFEN-CYBMUJFWSA-N 361.427 2.020 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1CC(F)(F)F 6506392 DUGITXWRMNKBCH-UHFFFAOYSA-N 360.361 2.308 0 40 FEAB CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 24043794 UJMGYLFNIDYKIS-UHFFFAOYSA-N 361.419 2.285 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C 5614922 WQRNSKRZSOAWPM-UHFFFAOYSA-N 358.463 2.450 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC(F)F)c1 7748001 MJWOTLAUSOPQDT-CYBMUJFWSA-N 356.325 2.440 0 40 FEAB O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2ccc3nccnc3n2)C1 96004981 RWKYCGZGYRWSQS-HNNXBMFYSA-N 369.450 2.436 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@H](NC(C)=O)C2CCCC2)nc1C 16469356 HSIDZEZWYRXKSN-GFCCVEGCSA-N 353.444 2.262 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 8097826 OJCRNOWYJNQYJF-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB O=C(Cc1nc(-c2ccc(N3CCCC3=O)cc2)cs1)N1CCOCC1 8313267 XYUWTYZYQBAFPR-UHFFFAOYSA-N 371.462 2.338 0 40 FEAB CC(C)c1cc(C(=O)Nc2cccc(OCCn3cncn3)c2)cc(=O)[nH]1 95461113 FFFXGVDBOBNBNF-UHFFFAOYSA-N 367.409 2.421 0 40 FEAB CCCNC(=O)CN(CCN1CCN(c2cccc(C)c2)CC1)CC1CC1 95456042 BZWLXTASKOGUPF-UHFFFAOYSA-N 372.557 2.355 0 40 FEAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613190 WMMAHDOINOJRKI-UHFFFAOYSA-N 362.854 2.109 0 40 FEAB CC(=O)c1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c(F)c1 32623875 UQXLJUWFGDFDJA-UHFFFAOYSA-N 372.761 2.094 0 40 FEAB CCCC(=O)Nc1nc(C)c(Cc2ccc(S(N)(=O)=O)cc2)s1 36639185 XLGAPNXQTITKMP-UHFFFAOYSA-N 353.469 2.428 0 40 FEAB CCn1cc(CNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)cn1 36619541 DWZAFGCLZGPYDE-UHFFFAOYSA-N 365.397 2.078 0 40 FEAB CCc1nc(=O)c2ccccc2n1C1=CCN(CC(=O)NCC(C)C)CC1 72338411 AEGLFYALZPHXIP-UHFFFAOYSA-N 368.481 2.278 0 40 FEAB Cc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393159 DLKSFSGDGXODSF-QGZVFWFLSA-N 362.437 2.310 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O 77099302 LTAQLMPBGYMECS-GFCCVEGCSA-N 367.430 2.238 0 40 FEAB CCc1nn2c(nnc3c(=O)n(CCCO)ccc32)c1-c1ccc(F)cc1 40391629 GBFGCQQYGGDDRD-UHFFFAOYSA-N 367.384 2.190 0 40 FEAB CC(C)(C)n1cnc(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)n1 577282293 DNRQQGLSECKHEQ-LLVKDONJSA-N 354.769 2.381 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)NCc1ccccc1)CCC2 96259372 DDWDETCCNSEPFI-UHFFFAOYSA-N 367.453 2.121 0 40 FEAB CC(C)[C@@]1(CO)CCCN(C(=O)Nc2nnc(C3CCOCC3)s2)C1 333680400 PIQVQMXTPUIAGB-KRWDZBQOSA-N 368.503 2.695 0 40 FEAB CCN(C)c1ccnc([C@@H]2COCCN2Cc2ccc3c(c2)OCO3)n1 96217765 CZAIGKORZBGBJG-HNNXBMFYSA-N 356.426 2.235 0 40 FEAB O=C(c1ccncc1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 96250855 UFXGYYDLJZCPIP-ATZDWAIDSA-N 353.422 2.313 0 40 FEAB O=C(c1ccncc1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96075442 WZZLCENFAVEYAQ-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)NCc2ccco2)CC1 244036306 SVYWJPXCQVVCAT-UHFFFAOYSA-N 372.421 2.465 0 40 FEAB CN(C)c1nc([C@H]2CCCCN2CC2(O)CCOCC2)cn2cccc12 257259919 LAQYKWZSOVZLDZ-QGZVFWFLSA-N 358.486 2.469 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cncnc3)CC2)C[C@@H]1Cc1ccccc1 257327598 XBZOFUNOTNLQTK-SFHVURJKSA-N 364.449 2.172 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3ccno3)C2)cn1 257279597 OHIJCYIFIGDMNM-ZDUSSCGKSA-N 353.382 2.441 0 40 FEAB COc1ccc(C(=O)NCC[C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cn1 257238129 HJSAUMWAMRZXIM-DPDWXTQNSA-N 374.481 2.412 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 623609352 ZRDNLSOBFVMECX-QGZVFWFLSA-N 365.433 2.489 0 40 FEAB Cc1nc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)sc1C(=O)O 679398767 LEQAZRGLCDDGBI-NEPJUHHUSA-N 374.418 2.341 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccccn2)no1 585094562 BEQJURZTZNAYMY-QGZVFWFLSA-N 353.426 2.255 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@@H]21 51868982 FLQKILCIVUUXHP-RDJZCZTQSA-N 355.442 2.433 0 40 FEAB O=C(c1cncs1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161467 YLNSFMWZXRVUQU-GOSISDBHSA-N 357.435 2.181 0 40 FEAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 14095276 YRRJGTGYOJSYHC-UHFFFAOYSA-N 363.370 2.216 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 16641804 GMRNYHYDJCINMZ-CQSZACIVSA-N 368.474 2.485 0 40 FEAB COc1ccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1OC 19561155 RYZOMYQCBNQRLY-OAHLLOKOSA-N 354.454 2.129 0 40 FEAB COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2ncnn12 19571408 ANNRVCUSRAGDLV-CQSZACIVSA-N 367.409 2.266 0 40 FEAB CN(C)C[C@H]1CCCN(C(=O)CCCc2nc(-c3ccccn3)no2)C1 19582032 WBQIHYJCZBIHRM-OAHLLOKOSA-N 357.458 2.255 0 40 FEAB Cc1ccc(-c2nnn(CC(=O)NC(C)(C)CN3CCCCC3)n2)cc1 19661733 GVWONGDMIKBJLH-UHFFFAOYSA-N 356.474 2.029 0 40 FEAB C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccnc1OCc1ccccc1F 554613239 UDXWGLTYOUOAJU-BLLLJJGKSA-N 357.385 2.197 0 40 FEAB CC1(C)C[C@H]1C(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863735 CNGVUOUKIQNYNM-OCCSQVGLSA-N 355.442 2.275 0 40 FEAB Cc1cc(N2CCN(c3ncnc(C4CC4)c3F)CC2)n2nccc2n1 1888876003 NIBFOBBHNQRMAL-UHFFFAOYSA-N 353.405 2.171 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(Cc3csc(C)n3)CC2)n1 1889091439 AYLZMDYVJPPHHG-UHFFFAOYSA-N 358.515 2.472 0 40 FEAB CN(C1CCN(Cc2nc3c(s2)CCC3)CC1)S(=O)(=O)C1CC1 2087141187 KYDIIRIMODMGHH-UHFFFAOYSA-N 355.529 2.020 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccc(OC)cc1 10256304 SVWMKHYOBBVWON-SFHVURJKSA-N 353.422 2.125 0 40 FEAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)c1 22459000 FDBOYXVCVMWXJU-OAHLLOKOSA-N 373.482 2.150 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)O)c12 26421277 SGLGEAIFKVQQQW-ZDUSSCGKSA-N 371.418 2.465 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](Oc2cnccn2)C1 225469744 FZFCQOOEFLWFOM-DRDHIDPGSA-N 353.378 2.289 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CCc2c(cnc3cc(C)nn23)C1 206951982 NBIKKAVYTGSNFT-UHFFFAOYSA-N 350.378 2.023 0 40 FEAB Cc1cc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)ncn1 2298047609 YMHDJFZLIPNLGC-UHFFFAOYSA-N 354.458 2.491 0 40 FEAB COCCc1nsc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298196407 HVWPAKILBKNSEA-GFCCVEGCSA-N 374.457 2.201 0 40 FEAB COc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)NC1CC1 40017247 ZAEWXOCUOJHKBN-UHFFFAOYSA-N 352.456 2.151 0 40 FEAB COC(=O)c1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1 40069789 KNFZUEHKDCXRQN-MLGOLLRUSA-N 352.390 2.481 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)COc2ccccc2OCC)C1 40121699 OXZDQMMFZDAKMC-AWEZNQCLSA-N 350.415 2.201 0 40 FEAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102171081 SSFNFCRTRLUBMU-UHFFFAOYSA-N 355.419 2.161 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1 780996 LLINZHZSKASFCK-UHFFFAOYSA-N 357.395 2.107 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 32869853 AHZHENQQXIVAKN-LBPRGKRZSA-N 367.496 2.216 0 40 FEAB COc1cc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc(OC)c1OC 1347891 BMYMNEWNFMGGCC-UHFFFAOYSA-N 372.421 2.231 0 40 FEAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1 1378410 KSULZJKXNQHVQG-UHFFFAOYSA-N 360.439 2.252 0 40 FEAB CCCCc1nnc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)s1 78461612 ZXPQLBYPCRHMBU-CYBMUJFWSA-N 353.492 2.067 0 40 FEAB O=C(CNC(=O)Nc1ccccc1)NCc1ccccc1Cn1ccnc1 32900559 CFTDBYAAZSIXAI-UHFFFAOYSA-N 363.421 2.369 0 40 FEAB CCc1c(C)nc2ncnn2c1N1CCN(C(=O)c2cccs2)CC1 4898028 ZURADFUUPHDJST-UHFFFAOYSA-N 356.455 2.019 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 6818274 YUXKLZXDMPFWAK-UHFFFAOYSA-N 354.457 2.348 0 40 FEAB CCOCCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8051160 XCQKDPWKTPIIMS-UHFFFAOYSA-N 356.488 2.084 0 40 FEAB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)cc1 8570767 DRQXZQRCDGOCMU-LFIBNONCSA-N 364.357 2.448 0 40 FEAB CC(C)(CNC(=O)c1ccccc1)CNC1=NS(=O)(=O)c2ccccc21 643348 YKRMANIMMRMXBK-UHFFFAOYSA-N 371.462 2.181 0 40 FEAB COc1cc(C)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 23683225 WWPMTFTUFPTOOO-SJCJKPOMSA-N 350.440 2.405 0 40 FEAB COc1cc(CN2C(=S)NC(C)(C)C[C@@]2(C)O)cc(OC)c1OC 12409207 IMKFTJZPFBXERP-QGZVFWFLSA-N 354.472 2.280 0 40 FEAB O=C1CSc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2N1 3042892 MRLPTHPYLCMPJZ-GFCCVEGCSA-N 356.403 2.301 0 40 FEAB O=C(c1ccc(NCC(=O)N2CCc3ccccc32)cc1)N1CCOCC1 55862297 UPVHYRCIKJYEBF-UHFFFAOYSA-N 365.433 2.160 0 40 FEAB Cc1cc2nc(C)c(CCC(=O)OCC(=O)NCc3ccco3)c(C)n2n1 26197308 BOUGRJKMIMUQDY-UHFFFAOYSA-N 370.409 2.040 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)c1 27164273 VUSLMJKIEHIPRH-LJQANCHMSA-N 350.418 2.425 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)NC(=O)c2cccs2)o1 58342671 FIAOURILZJRPIT-AWEZNQCLSA-N 363.483 2.358 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 28278413 FRKXKRGJZLLBHL-CYBMUJFWSA-N 362.398 2.431 0 40 FEAB CN1N=C(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)CCC1=O 48340043 ZQIZYASQEIKERO-GFCCVEGCSA-N 372.450 2.417 0 40 FEAB Nc1cc(N)nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1 3605743 FLOCZHXSDCTODT-UHFFFAOYSA-N 357.483 2.214 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(I)c1 49452300 LBYFPNSATGJQLQ-UWVGGRQHSA-N 374.222 2.324 0 40 FEAB COc1ccccc1NC(=O)c1nnn(-c2ccc(OC)c(OC)c2)c1N 9483353 QAKCHMRVZLTEOH-UHFFFAOYSA-N 369.381 2.128 0 40 FEAB C[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC(N)=O 13637478 PQUHWASYZAETLQ-MRVPVSSYSA-N 374.447 2.327 0 40 FEAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 14076833 FBIXVKTYCARPQY-VBKZILBWSA-N 373.453 2.157 0 40 FEAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N1CCNC1=O 14134727 YFBVEJUXGLEFCJ-UHFFFAOYSA-N 353.404 2.065 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O 4514060 LDEBQQRVCGORJR-BFUOFWGJSA-N 361.417 2.384 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 6649326 REOBNGASHIGZTH-UHFFFAOYSA-N 351.362 2.335 0 40 FEAB Cc1nc2sc(C(=O)OCC(=O)N(C)c3ccccc3)c(C)c2c(=O)[nH]1 6607592 RWEYAUXKDYOIOX-UHFFFAOYSA-N 371.418 2.421 0 40 FEAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H]1CCS(=O)(=O)C1 80343659 FLBCGZDNOHKYEF-LBPRGKRZSA-N 354.815 2.220 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)n[nH]c1=O 7729659 WSGNPLXKZOTYIH-NSHDSACASA-N 350.444 2.492 0 40 FEAB COc1ccc(OCCN(C)C(=O)c2ccc(-n3cncn3)cc2)cc1 8342392 RYYMDANQWVIZQS-UHFFFAOYSA-N 352.394 2.427 0 40 FEAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c1 19819379 HZKZREXNZQQGHG-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2C2CC2)CC1 71890535 ZRHXBNCBSBDQLW-GOSISDBHSA-N 372.517 2.401 0 40 FEAB CCCc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)N3CCCC3)C2=O)cc1 9608765 NGEUIQYZHPLFHK-JLTOFOAXSA-N 357.454 2.417 0 40 FEAB C[S@](=O)CCNC(=O)c1c(-n2cccc2)sc2c1CCSC2 83990133 YQLFHXUSZIMTCB-JOCHJYFZSA-N 354.522 2.436 0 40 FEAB Cn1cc([C@@H](CO)NC(=O)/C=C/c2cc(Br)ccc2F)cn1 95444632 XBRHAISHGOYJEM-JBQRSBCVSA-N 368.206 2.185 0 40 FEAB COc1ccccc1[C@@H](NC(=O)Nc1c[nH]c(=O)c(C)c1)c1nccn1C 95975673 MIYCAKHCPLETLS-MRXNPFEDSA-N 367.409 2.337 0 40 FEAB CC(=O)c1ccc2c(c1)CCN(C(=O)CNC(=O)c1cccs1)CC2 89331265 JTMHKVVVCCFNDH-UHFFFAOYSA-N 356.447 2.308 0 40 FEAB Nc1c(C(=O)CSc2ccc(F)c(Cl)c2)c(=O)[nH]c(=O)n1C1CC1 9996220 ONQOJDPLKJKXSW-UHFFFAOYSA-N 369.805 2.221 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC 20104586 HYKAVJUBMBQCCQ-UHFFFAOYSA-N 366.414 2.063 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 79501573 WUDFVYCPBLMLAC-CHWSQXEVSA-N 352.866 2.420 0 40 FEAB O=C(CNC(=O)NCCc1c[nH]c2ccccc12)NCc1ccccc1 47621969 QWRXXXGXRFGKHB-UHFFFAOYSA-N 350.422 2.326 0 40 FEAB COc1ccc(CN2C[C@H]3CN(Cc4nccs4)CCN3C2=O)cc1 85436196 WQPSJHPRZYPGLB-OAHLLOKOSA-N 358.467 2.274 0 40 FEAB biogenic,in-vitro O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)NCc1ccco1 77118260 SGKNRKUSYCEECG-SFHVURJKSA-N 352.390 2.289 0 40 FEAB CN1CCN(C[C@H]2CCC[C@]3(CCN(CCc4ccccc4)C3)O2)CC1 96209938 JFBCGJZIVLJIBP-FGZHOGPDSA-N 357.542 2.490 0 40 FEAB Cc1ccc(CC(=O)N2C[C@@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240900 FCEQQGHHBPWERX-IBGZPJMESA-N 370.493 2.415 0 40 FEAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 97953617 ULSSLYXDSTZREY-BPUTZDHNSA-N 358.467 2.465 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2nnc3n2CCCC3)cc1 583615548 HDZQGLDJCHASHM-PXNSSMCTSA-N 356.470 2.495 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106880 SIIZFRYNEOYWOI-INIZCTEOSA-N 357.410 2.359 0 40 FEAB COCCNC(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96144467 HSHOYCSVJGFYTQ-UNMCSNQZSA-N 366.461 2.496 0 40 FEAB COc1ccc(CN2CC[C@H]3[C@H](CC(=O)NCC4CC4)OC[C@H]3C2)cc1 96208340 XTHURLVLFTVYNX-RLLQIKCJSA-N 358.482 2.448 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N[C@H](C)c3ccccc3)C2)cc1 95836997 DYKJRAGHFUWKRP-MNEFBYGVSA-N 360.479 2.080 0 40 FEAB CN1CCN(C(=O)c2cccnn2)C[C@@H](Cc2cncc3ccccc23)C1 257279860 OIMGSJZRXGAPFL-INIZCTEOSA-N 361.449 2.271 0 40 FEAB CN(C(=O)c1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257295634 QZFJNEBYOYURFG-BZUAXINKSA-N 373.844 2.260 0 40 FEAB Nc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(N)cc3)CC2)cc1 255188480 KCPNTFIHOJWYFK-UHFFFAOYSA-N 352.438 2.322 0 40 FEAB Cc1cncc([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257225521 FGNZOVXFNMXBPA-AWEZNQCLSA-N 352.394 2.099 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@@H](c3c(C(N)=O)sc4ncccc34)C2)n1 257285156 PFWSUOYYDKDPRQ-LLVKDONJSA-N 369.450 2.149 0 40 FEAB O=C(Nc1ccc2c(c1)COB2O)c1ccccc1-n1ccc(C2CC2)n1 1776002767 CBGYQLIRPVYQFQ-UHFFFAOYSA-N 359.194 2.220 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NCc2ccc3cncn3c2)cn1 665111104 UKCJREXGBWOCRX-MSOLQXFVSA-N 368.441 2.441 0 40 FEAB NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1ccc(C(F)(F)F)s1)CC2 671825273 MULIHCQAFAEOEI-QMMMGPOBSA-N 372.372 2.055 0 40 FEAB CN(C)c1ncc(NC(=O)Nc2ccc3c(c2)OCCO3)c(N(C)C)n1 96098777 UBPINCFBAQUCJM-UHFFFAOYSA-N 358.402 2.024 0 40 FEAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3nccnc3C)[C@H]2O)c1 585286954 PCNLKBSRCOOEGE-SZVBFZGTSA-N 355.438 2.432 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 585107330 PVYRJHRFGHIXBJ-QAPCUYQASA-N 363.408 2.120 0 40 FEAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)CCc1cnn(C)c1 56493373 LCXNBZJAISAUGF-SFHVURJKSA-N 369.513 2.070 0 40 FEAB CN(C)c1ccc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1 96104331 FNJTXSUNWUOHRB-UHFFFAOYSA-N 350.484 2.325 0 40 FEAB CN1Cc2ccccc2NC2(CCN(Cc3cnn(C)c3)CC2)CC1=O 1615529696 MAOOFZKACSNMGU-UHFFFAOYSA-N 353.470 2.229 0 40 FEAB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 8091032 GIZKZFUMVRZMIA-ACCUITESSA-N 355.419 2.348 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146228 YKHQXHVNESJNKA-UWWQBHOKSA-N 369.465 2.333 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19590557 ZTAGDIRHLILUKY-SFHVURJKSA-N 352.438 2.450 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc2c(c1)OCCO2 4144597 UXSITFFMKWBEPD-UHFFFAOYSA-N 358.394 2.285 0 40 FEAB CCOC(=O)C1=C(COC(=O)C[C@H](C)c2ccccc2)NC(=O)N[C@H]1C 4413040 AIAJBIFWYORFHK-STQMWFEESA-N 360.410 2.242 0 40 FEAB O=C(C1CCOCC1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888853303 YECXMAXQEYPCMP-UHFFFAOYSA-N 370.428 2.358 0 40 FEAB COc1cccc2sc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc12 1889149089 ZWYGEDYXRFXLIL-LLVKDONJSA-N 367.496 2.356 0 40 FEAB CN(C(=O)CS(=O)(=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 40070218 JXKRHKZRWZFBMR-UHFFFAOYSA-N 371.418 2.314 0 40 FEAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)n(C)c3=O)cc2)CC1 2037850011 HJZYKYPHUPSNBW-UHFFFAOYSA-N 354.454 2.088 0 40 FEAB CC(C)CNC(=O)c1cc2c(CNC(=O)C3(F)CC3)nn(C)c2s1 1565546722 JBARXLNATJEUFW-UHFFFAOYSA-N 352.435 2.139 0 40 FEAB COc1cnc(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)nc1 1565552626 QIAVCNYEXJDHNN-GOSISDBHSA-N 372.450 2.206 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccco3)n2)cc1 13795925 ZMSOTQXEUDOQKE-UHFFFAOYSA-N 353.378 2.332 0 40 FEAB O=C(NC1CCOCC1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965849 MGGODNFGPMZPEE-UHFFFAOYSA-N 360.458 2.333 0 40 FEAB O=C1[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@@H]2C(=O)N1Cc1ccccc1 2086889208 QBGQLEIMZJJDGW-CALCHBBNSA-N 362.433 2.366 0 40 FEAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCS(=O)(=O)C1 40033615 VMEGPSBZFXBKRR-CYBMUJFWSA-N 368.842 2.231 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 40107412 BDVWNPXTTDTQMA-UHFFFAOYSA-N 370.434 2.425 0 40 FEAB Cc1cccc(-n2c(SCCn3cccn3)nnc2N2CCOCC2)c1 40157828 RRLJIMWUWGQKPR-UHFFFAOYSA-N 370.482 2.401 0 40 FEAB CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@H]1CCc2ccccc21 30792989 DBWLHXOTWPNYIV-OALUTQOASA-N 362.433 2.253 0 40 FEAB COc1c(C)cnc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1C 50448866 QQUFVRRMFKUTSG-OAHLLOKOSA-N 355.442 2.030 0 40 FEAB COc1cc(OC)nc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)n1 101376866 DIHDSCGCKLQQKX-LLVKDONJSA-N 361.785 2.269 0 40 FEAB O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCN(c2ccccc2)CC1 32641900 PSRVDKIFESIKKK-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CNC(=O)c1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 32745302 UJNNHHANHVAZRY-QGZVFWFLSA-N 354.406 2.433 0 40 FEAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)n1 21450379 MVDBWXPKNNALIU-JQWIXIFHSA-N 358.485 2.025 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1 797048 VMIGAYYARVZPEX-UHFFFAOYSA-N 354.472 2.011 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)N1CCCC1 905145 SSFHASLRKUAAIR-HNNXBMFYSA-N 373.482 2.234 0 40 FEAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccc(N2CCCC2=O)c1 32830276 MKVPNNFUYUXJTM-UHFFFAOYSA-N 363.373 2.407 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 7842804 UZARFESCDJJJKW-AWEZNQCLSA-N 369.373 2.440 0 40 FEAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 7940100 VDNCKWCWKSAJPW-DOTOQJQBSA-N 366.417 2.460 0 40 FEAB COc1ccc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)cc1 107738810 IMJWWMLLRMXRHX-FPOVZHCZSA-N 360.498 2.399 0 40 FEAB Cc1nc2ccc(NC(=O)Cc3c(C)nc4nc(N)nn4c3C)cc2s1 10784317 TZZJLMJAWBRKJL-UHFFFAOYSA-N 367.438 2.423 0 40 FEAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)cc1C 10795337 VLMAJQSHWIGHRE-ZDUSSCGKSA-N 361.419 2.379 0 40 FEAB Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc12 42108186 NWUJGCFTFAIJAW-HUUCEWRRSA-N 363.483 2.394 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)c1n[nH]c2ccccc12 23956532 VPVAQNQZHWAHNC-UHFFFAOYSA-N 350.422 2.325 0 40 FEAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24014282 CSOGDFIZVCZBCJ-UHFFFAOYSA-N 362.433 2.456 0 40 FEAB COc1cc(CC(=O)NCc2nc3ccccc3n2C)cc(OC)c1OC 12540891 XGBVOGZOVOXVBG-UHFFFAOYSA-N 369.421 2.458 0 40 FEAB CC1CCN(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)CC1 55027762 AFSJJBSIEYLTLS-UHFFFAOYSA-N 364.534 2.341 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCCN1CCCc2ccccc21 107507396 MPEOJCAZOWOQSO-IAGOWNOFSA-N 370.449 2.158 0 40 FEAB O=C(NCCNC(=O)c1ccc(O)cc1)N[C@H]1CCCOc2ccccc21 58292536 PDZNMZDMWPKOSV-KRWDZBQOSA-N 369.421 2.335 0 40 FEAB COc1c2c(cc3c1[C@H](C1=C(O)OC(C)(C)OC1=O)N(C)CC3)OCO2 2117489 LNUFPDIUXMKJKQ-CYBMUJFWSA-N 363.366 2.032 0 40 FEAB biogenic Cc1cccc2nc(C(=O)NCc3ccccc3CN3CCOCC3)cn12 23955756 KUCPZVXJIZBWBM-UHFFFAOYSA-N 364.449 2.405 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 45491266 SGEIMHSZRCQZDM-INIZCTEOSA-N 360.458 2.167 0 40 FEAB CCOCCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741344 AKDVRPUUKZHDFX-GFCCVEGCSA-N 368.503 2.340 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1 408559172 VWTZRDDRNRUMQZ-UHFFFAOYSA-N 360.863 2.030 0 40 FEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)O)CC2)cc1 3443683 LGMCGWLSDVQJAE-LSDHHAIUSA-N 368.499 2.370 0 40 FEAB COc1ccc(C)cc1-n1c(SCC(N)=O)nc2ccccc2c1=O 3492505 VKQOUGRURMOGBC-UHFFFAOYSA-N 355.419 2.280 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(CO)cc2)n1 3418955 SRQGZUPWFZHXCJ-UHFFFAOYSA-N 365.393 2.355 0 40 FEAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCC1 8476146 DZHXEWLWTFWLIK-UHFFFAOYSA-N 352.456 2.106 0 40 FEAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccccc1F 12916331 REEHHEXUWUVFSI-UHFFFAOYSA-N 358.369 2.316 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1 13002072 DVODBJLMHMCVMM-UHFFFAOYSA-N 358.467 2.368 0 40 FEAB CC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 6112311 WEBIRCQMCDAOER-UHFFFAOYSA-N 364.243 2.418 0 40 FEAB Cc1noc([C@H](C)NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 65547951 WPSNVYBEVFMFJW-YTUJCQBYSA-N 360.458 2.278 0 40 FEAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(CCO)C3=O)c1 5343216 PDAYIMQRYSJKDI-IBGZPJMESA-N 365.389 2.334 0 40 FEAB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 8748677 UQWIQESRTANXJH-UHFFFAOYSA-N 367.398 2.296 0 40 FEAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(C(N)=O)c1)C(C)C 14128701 HMVHIKVUBYXELB-QGZVFWFLSA-N 353.422 2.487 0 40 FEAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 14142215 CCVDQULAWKJXCP-KRWDZBQOSA-N 361.467 2.204 0 40 FEAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1 4739540 JPFVDDJHSVDNTR-UHFFFAOYSA-N 354.406 2.227 0 40 FEAB COc1ccc(-c2nc3c(s2)CN(S(C)(=O)=O)CC3)cc1OC 6760808 BSJQNUPLQYEGEI-UHFFFAOYSA-N 354.453 2.145 0 40 FEAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1nccs1)C(F)(F)F 5742634 CQGBMWAGVAVICU-CQSZACIVSA-N 373.356 2.346 0 40 FEAB C[C@H]1CCc2sc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2C1 4885266 QAAHDORMCJPDQV-NSHDSACASA-N 360.435 2.325 0 40 FEAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976179 SPNQKZRKKYZGGA-MRXNPFEDSA-N 350.434 2.148 0 40 FEAB O=C(Nc1ccc(NC(=O)c2nccnc2C(=O)O)cc1)c1ccco1 71283223 ZCFZBOUVJMLFEA-UHFFFAOYSA-N 352.306 2.272 0 40 FEAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccccc1 16139685 AVEXTAQRBZPAON-GOSISDBHSA-N 368.433 2.454 0 40 FEAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(C(=O)c2ccco2)CC1 9157891 BUWNFKYGLXVNCS-OAHLLOKOSA-N 353.422 2.015 0 40 FEAB CCN(CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1 8152464 NXGSXKVVMHJHMF-UHFFFAOYSA-N 364.449 2.348 0 40 FEAB Cc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3C)cc1C 9276255 OPJJCNJDPGXTKX-UHFFFAOYSA-N 351.458 2.476 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 9884348 ASGPESPIJZDBPA-FQEVSTJZSA-N 350.374 2.367 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](NC(=O)OCc2ccccc2)C1 26898141 TXZPPCRYQXSVCL-KBPBESRZSA-N 364.398 2.233 0 40 FEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H]1CCc2ccccc2C1 75358648 NFRHNQLHEZKHDZ-DFEOGRTESA-N 373.522 2.386 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CCO)cc1 75567075 OPAHAFIFTFYYEI-HXUWFJFHSA-N 365.433 2.389 0 40 FEAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 22140111 GQORCTYMAIWBIQ-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB CS(=O)(=O)N1C[C@]2(CCN(Cc3cccc(F)c3)C2)c2ncccc21 306132552 LLYRZCWYRMSLCS-GOSISDBHSA-N 361.442 2.144 0 40 FEAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc3ccccc3n2)C1=O 500518187 JGMYAAXGRMMWAJ-SJLPKXTDSA-N 352.438 2.040 0 40 FEAB O=C(CN1CC[C@H](COc2ccccc2)C1)NCC(=O)c1ccccc1 505836624 ASIYUKDJYWEIPJ-KRWDZBQOSA-N 352.434 2.386 0 40 FEAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cnc21 32098040 VDDCRRNFQZNADM-UHFFFAOYSA-N 371.422 2.308 0 40 FEAB Cc1ccccc1CNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219432079 HZQVGRINLOFDMM-UHFFFAOYSA-N 372.446 2.236 0 40 FEAB CN1CCN(CCNC(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 31794264 KQUCYHJGRWMTRS-HXUWFJFHSA-N 352.482 2.475 0 40 FEAB COc1cccc2sc(N(C)CC(=O)Nc3ccccc3C(N)=O)nc12 70973325 XJZAYUFELRIGTN-UHFFFAOYSA-N 370.434 2.479 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)cc1N(C)C 562409097 UNQXWOMFSLSVGH-MRXNPFEDSA-N 362.451 2.208 0 40 FEAB COc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 96181719 SOJKDVJIMCWBPG-MSOLQXFVSA-N 358.369 2.371 0 40 FEAB COC(=O)c1nc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)sc1C 95479917 LQKQSQLNVCVUAJ-SECBINFHSA-N 359.407 2.221 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(CCOC)C2 96055957 GNQMCOUGEWWGPN-HKUYNNGSSA-N 350.459 2.003 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4cccnc4)C3)OCC2=O)cc1 96240094 PCGDADGHVYHLFN-NRFANRHFSA-N 367.449 2.024 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257212516 CDUITSRZIKCFRH-KRWDZBQOSA-N 355.486 2.352 0 40 FEAB CC(=O)N[C@@H](c1nc(-c2ccc(N3CCOCC3)nc2)no1)C1CCCC1 585083981 KLOTYZLYEVXXCQ-QGZVFWFLSA-N 371.441 2.336 0 40 FEAB CN1CCC(N2CC[C@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)CC1 257309220 TZZRXYVENIIVRJ-ZDUSSCGKSA-N 373.526 2.277 0 40 FEAB Cc1cc2nccc(C3CCN(C(=O)Cc4c(C)n[nH]c4C)CC3)n2n1 257299152 ROYBHZDHDTVSNG-UHFFFAOYSA-N 352.442 2.326 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257274392 NKXBITVSDABAJF-QGZVFWFLSA-N 355.438 2.075 0 40 FEAB CS(=O)(=O)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257342450 ZORBHMFEEWCAPA-ZDUSSCGKSA-N 360.414 2.284 0 40 FEAB Cc1cncc([C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 257257037 KNVVYVSGBRGXQY-HNNXBMFYSA-N 350.426 2.464 0 40 FEAB Cn1cc([C@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CCO2)cn1 267634984 GLLQFYMRTZAFMB-VQTJNVASSA-N 368.481 2.375 0 40 FEAB Nc1ncc2c(n1)CN(C(=O)COc1cc(Cl)cc(Cl)c1)CC2 623325949 ZXRXPUMKVJPCGT-UHFFFAOYSA-N 353.209 2.329 0 40 FEAB CNc1cnc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cn1 625044651 DTKLVAMYGUTDJT-UHFFFAOYSA-N 363.425 2.323 0 40 FEAB C[C@@H](C(=O)Nc1cccc2ccccc12)n1cc(CN2CCOCC2)nn1 640818049 AZCHDCGGMVYLNE-HNNXBMFYSA-N 365.437 2.463 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1Cc1coc(-c2c(F)cccc2F)n1 643823542 UPSWUNFCJHULCF-QGZVFWFLSA-N 351.353 2.086 0 40 FEAB C[C@H](c1ccccc1)n1cc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cn1 646442767 WAVBAFRSRQRLTP-SJLPKXTDSA-N 371.485 2.461 0 40 FEAB CC(=O)N1CCCN(C(=O)CCc2ccccc2Br)CC1 55094114 JCDZYUSIFOPQJO-UHFFFAOYSA-N 353.260 2.463 0 40 FEAB CCOC(=O)c1ccc(N2CCCN(C(=O)c3ccccn3)CC2)nc1 57140676 JDFDKANIDPFFLH-UHFFFAOYSA-N 354.410 2.006 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000146 UAMVSZPMYXPWNS-ROUUACIJSA-N 371.412 2.152 0 40 FEAB COC(=O)c1ccccc1NNC(=S)NNc1ccccc1C(=O)OC 5606103 DODPHQQJQYNXPP-UHFFFAOYSA-N 374.422 2.078 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)N3CCN=C3c3ccccc32)cc1 12182995 QVYMYHRBCXPSED-UHFFFAOYSA-N 364.405 2.014 0 40 FEAB CC[C@@H](Sc1nc(O)cc(O)n1)C(=O)Nc1nnc(C(C)C)s1 13566161 YISOYILZBKOMGP-SSDOTTSWSA-N 355.445 2.372 0 40 FEAB CCc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15235552 FDFNKTNOHXOSBL-FXUPRZHBSA-N 360.454 2.489 0 40 FEAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1F 15674318 DRWXARKDKOVSTK-WBVHZDCISA-N 360.433 2.386 0 40 FEAB biogenic,in-vitro CCCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21 16708077 HQKVRVHZFUBHQK-UHFFFAOYSA-N 366.421 2.211 0 40 FEAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@@H]2CCCO2)on1 19123401 GPKCUCTXPXRALA-HNNXBMFYSA-N 357.414 2.152 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc(C4CCNCC4)ncc3C2)cc1 19554319 YBHDSIIQONQTPU-UHFFFAOYSA-N 366.465 2.080 0 40 FEAB CN1CCc2c(O)nc(C3CCN(C(=O)c4ccccc4F)CC3)nc2C1 19590748 NDQONBKHPFDNGK-UHFFFAOYSA-N 370.428 2.329 0 40 FEAB COCc1ccc(CN2CCc3[nH]c(-c4ccncc4)nc(=O)c3CC2)o1 19594501 UFSARKGOGOJUGP-UHFFFAOYSA-N 366.421 2.172 0 40 FEAB CNc1cc(CN(C)CC(=O)NC2CCCCC2)nc([C@@H]2CCCCN2)n1 19709920 CAUSVPOUHQZCRM-KRWDZBQOSA-N 374.533 2.214 0 40 FEAB Cn1nc2c(c1C(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1)CCCC2 19746553 DADFVOWOQMUWKX-HXUWFJFHSA-N 358.486 2.352 0 40 FEAB COc1cccc2c1OC[C@@H](NC(=O)c1cn(-c3ccc(C)cc3)nn1)C2 102912273 OYEYMRIPMDBMBW-HNNXBMFYSA-N 364.405 2.318 0 40 FEAB C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCC(Cc2ccccc2)CC1 103286305 QREJJDSJYYHDCZ-QFBILLFUSA-N 357.498 2.054 0 40 FEAB COc1cncc(O[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)n1 225496998 AFVNLLVVMICHRK-AWEZNQCLSA-N 360.414 2.093 0 40 FEAB COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4503944 OZZCIGKJHVUUEJ-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB C[C@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N1CCNC1=O 7145291 UDPQBFSFABFRHV-QMMMGPOBSA-N 362.329 2.396 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7130126 AWWLFJXEGNYKGR-QMMMGPOBSA-N 366.468 2.471 0 40 FEAB Cn1ccnc1-c1cc(CC2CCN(C(=O)C3CCOCC3)CC2)ncn1 1848352054 GOKVOMSBXZBMPQ-UHFFFAOYSA-N 369.469 2.085 0 40 FEAB CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)o1)[C@H]1CCc2ccccc21 30572233 UCKILVFKUDXRQF-HNNXBMFYSA-N 360.435 2.480 0 40 FEAB FC(F)(F)c1nnc(CN2CCN(c3cc(C4CC4)ncn3)CC2)o1 1776009327 DGRFQWSNPAUMMT-UHFFFAOYSA-N 354.336 2.078 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCN3CCCC3=O)C2)cc1C 2037913135 VHMIJUQIQZRCOW-NRFANRHFSA-N 374.481 2.048 0 40 FEAB Cc1noc(C)c1CN1CCN(c2nccc(-c3cccnc3)n2)CC1 2086968385 LSWFKUDUWGTMRU-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB Cc1cccc(CN2CCO[C@@]3(CCCN(C(=O)[C@@H]4CCOC4)CC3)C2)n1 2055793217 APLFFVYOYVBMBC-WIYYLYMNSA-N 373.497 2.010 0 40 FEAB COc1cc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)cc(OC)c1OC 13769736 HPDWHUHYIIEFKR-WQLSENKSSA-N 367.379 2.223 0 40 FEAB O=C(c1ccc(SC(F)F)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40039558 KSSRUMLIEUVOEK-AWEZNQCLSA-N 370.421 2.465 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 46786170 MFRWAHJPTISRSH-KBXCAEBGSA-N 356.451 2.324 0 40 FEAB Cc1ccc(Cn2nnnc2CN2CCC(NC(=O)C(C)(C)C)CC2)cc1 4910309 KYCJJJBAVLBZKF-UHFFFAOYSA-N 370.501 2.157 0 40 FEAB COC(=O)c1sc2ncn3nc(Cn4cc(Cl)cn4)nc3c2c1C 2804143 MKUUGVCNOZLFNE-UHFFFAOYSA-N 362.802 2.332 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)N(CC)CC)ccc1N1CCCC1 10009907 UWZRXXKTKFDEED-UHFFFAOYSA-N 367.515 2.457 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N1CCCCC1 106765028 NLYRJQDQUBJGEG-DHDCSXOGSA-N 374.418 2.464 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccccn2)cc1Br 22453410 FVWZTVPFUKPRFZ-UHFFFAOYSA-N 371.256 2.374 0 40 FEAB O=C(Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1ccco1 71281267 PNPSTRMARWOYCQ-UHFFFAOYSA-N 352.306 2.272 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9066542 VAKUFWQJGUFQDN-QGZVFWFLSA-N 362.426 2.295 0 40 FEAB O[C@@H](COc1ccc(Cl)cc1)CSc1nnnn1C[C@@H]1CCCO1 24832096 CUWMYSNNGMCSIX-JSGCOSHPSA-N 370.862 2.038 0 40 FEAB COc1ccccc1C[C@@H]1CCCN1C(=O)N[C@H](C)CN1CCN(C)CC1 106582340 QOINUUCYWHBQCH-MJGOQNOKSA-N 374.529 2.048 0 40 FEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C(C)C)C(C)C)cc1 3271811 VYTHJVGVLMYCCM-UHFFFAOYSA-N 364.442 2.004 0 40 FEAB Cc1cc(CN2CCN(C(=O)Nc3ccc(N4CCCC4)nc3)CC2)on1 48087162 ZVGWEVWSMPOQLD-UHFFFAOYSA-N 370.457 2.328 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)N1CCc2ccccc2C1 26386935 WFZGAADTEKRATA-UHFFFAOYSA-N 352.438 2.186 0 40 FEAB CC(=O)NCC1CCN(C(=O)NCCCN(C)c2ccccc2F)CC1 57246481 XJIJUEAKXMFDPW-UHFFFAOYSA-N 364.465 2.210 0 40 FEAB CCCN(CCC)C(=O)Cn1c(=O)n(CCC)c(=O)c2sccc21 57478842 OWXQKUAGPZHNNM-UHFFFAOYSA-N 351.472 2.283 0 40 FEAB O=C(Nc1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CSC2)c1ccccc1 35595012 KYZIWMWFIBBMMN-GFCCVEGCSA-N 363.464 2.242 0 40 FEAB CCOc1ccccc1N1C[C@H](C(=O)Nc2sccc2C(N)=O)CC1=O 3364175 JTNPCJANEAWWMR-LLVKDONJSA-N 373.434 2.237 0 40 FEAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1OCCC(N)=O 36397480 FQBWCBFGVPIUAA-UHFFFAOYSA-N 363.439 2.418 0 40 FEAB CC(C)NC(=O)CN(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 36391719 ZEGYABJXNKKGFX-UHFFFAOYSA-N 358.225 2.003 0 40 FEAB NC(=O)c1cc(-c2csc(CC(=O)NCc3ccco3)n2)ccc1O 12815872 RBAMCKYNEFINSA-UHFFFAOYSA-N 357.391 2.067 0 40 FEAB O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NCCc1ccccc1 23139649 CPXKYXAUPLEOFL-UHFFFAOYSA-N 370.478 2.337 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nnc(NCc2ccccc2)s1 3536701 GTGJGIFIDJQQCZ-UHFFFAOYSA-N 365.484 2.477 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1 26528479 NKHKFSZRNUBKPW-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB COc1cc(CCC(=O)NCCNC(=O)OC(C)(C)C)cc(OC)c1 69929423 OJUHKQNJSRZHMM-UHFFFAOYSA-N 352.431 2.277 0 40 FEAB COc1cccc(NC(=O)Cn2c(NC[C@@H](C)O)nc3ccccc32)c1 8388943 ITCGKRJQWXTLQS-CYBMUJFWSA-N 354.410 2.476 0 40 FEAB CC(C)COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1 13629348 QELGWZFMPXUHRD-UHFFFAOYSA-N 355.441 2.229 0 40 FEAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC[C@H]1CCCO1 408702622 CALMGFZELHQERG-OAHLLOKOSA-N 374.462 2.424 0 40 FEAB CCCCn1c(=O)n(C)c(=O)c2c(C(=O)OC)cc(-c3cccs3)nc21 6549869 DDXQVEISJMRFIC-UHFFFAOYSA-N 373.434 2.410 0 40 FEAB O=C(NCc1ccccc1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408976086 PHIRPGITYBUKRW-UHFFFAOYSA-N 358.357 2.207 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1COc2ccccc2O1 5512604 LAXAGXFJPVEYOU-AWEZNQCLSA-N 369.345 2.461 0 40 FEAB Cc1c(C)n(Cc2ccccc2)c2ncn(CCN3CCOCC3)c(=N)c12 6663345 OOUJGKGKBMDDOF-UHFFFAOYSA-N 365.481 2.315 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 5711266 VQJYSROQJAPBGI-UHFFFAOYSA-N 373.840 2.428 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H](C)NC(=O)c1ccco1 5938239 SBNFSOOOXULOPI-AWEZNQCLSA-N 357.410 2.112 0 40 FEAB COc1ccccc1NC1=N[C@@H](c2coc3ccccc3c2=O)NC(=N)N1 19329981 QGGRAEYMZKOOQG-KRWDZBQOSA-N 363.377 2.396 0 40 FEAB O=C(Cc1ccccc1)N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O 9419109 RUIBNBQOINGCGL-MRXNPFEDSA-N 369.343 2.098 0 40 FEAB CC[C@H](CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1 95464478 RGRPFBZQNZOKHY-NVXWUHKLSA-N 360.454 2.352 0 40 FEAB Cc1nc2ccccc2n(CCCNS(=O)(=O)c2ccccc2)c1=O 95468724 KKFYZHGJUSFAMJ-UHFFFAOYSA-N 357.435 2.074 0 40 FEAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cnn(-c2ccc(F)cc2)n1 95983612 SSHRFKMJYLZDEH-KSSFIOAISA-N 360.389 2.258 0 40 FEAB C[C@@H](c1ccccc1F)N1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 89909722 RWJAIAVZYAQHBG-KXBFYZLASA-N 371.460 2.043 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1Cc2ccccc2O1 33112872 PQPDSXUCHMWBPR-CQSZACIVSA-N 354.431 2.245 0 40 FEAB COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 516462204 OQQUKDBADBQRKW-HNNXBMFYSA-N 359.470 2.486 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CNC[C@H]1c1ccccc1 518947161 OHANMCTUMLCEAD-LSDHHAIUSA-N 366.870 2.383 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(C3CCC3)C[C@H]1C2 306124509 BSANGJCGIMKUFF-OLZOCXBDSA-N 355.417 2.326 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)NCCn3ccnc3)c(C)c2oc1=O 524730458 JUYSIJSUBLEBIE-UHFFFAOYSA-N 355.394 2.110 0 40 FEAB biogenic COc1ccccc1N1CN(CCCN(C)C)Cn2c1nc(C)c(C)c2=O 38830066 IHQPETJQZQGSIF-UHFFFAOYSA-N 371.485 2.189 0 40 FEAB CCc1nnc(Nc2cccc(C3CCN(C(=O)CNC)CC3)n2)s1 72383007 MDYVULZPCLQCKP-UHFFFAOYSA-N 360.487 2.165 0 40 FEAB Cc1ccccc1CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38848749 HUOBUPMAUNTZGO-SFHVURJKSA-N 374.462 2.229 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc(F)c1 32613476 DHHXTNCTBACDTM-INIZCTEOSA-N 350.357 2.350 0 40 FEAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217520237 ZVRRIBLJZWQYNU-CQSZACIVSA-N 370.471 2.300 0 40 FEAB Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3-n3cnnc3)CC2)cc1 70461828 WIDORGKBETYZBG-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3csnn3)no2)cn1 329357321 WOPWAAURYDZODF-LBPRGKRZSA-N 359.415 2.079 0 40 FEAB CN(c1ccc(OCC(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O 224523951 KTDHUHVVYFPNDB-UHFFFAOYSA-N 374.528 2.109 0 40 FEAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1 225901290 UJPLUSWCQCHOOQ-MRXNPFEDSA-N 359.499 2.234 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cccs1)C2 96237898 LAROWDBKQMIDNU-IBGZPJMESA-N 373.453 2.451 0 40 FEAB Cc1noc(C)c1C(=O)N1CCc2nc(NC(C)C)nc(N(C)C)c2C1 96254051 DAWMAYQZESXJHI-UHFFFAOYSA-N 358.446 2.166 0 40 FEAB CCN(CCO)C(=O)c1ccc(Cl)cc1I 97298762 IFUKZDBEBZPACX-UHFFFAOYSA-N 353.587 2.399 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048984 CCOBIIWNNGIZGL-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB CC(C)c1cc(NC(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n(-c2ncccn2)n1 333389027 LRNYKQOAHLMZDR-SOUVJXGZSA-N 370.457 2.410 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(COCCN(C)C)C2)o1 96065024 XBVWMCKJGOVCFR-MJGOQNOKSA-N 350.459 2.178 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)ccc21 247965695 IFOVTIFFRPGSOC-SDDRHHMPSA-N 352.481 2.315 0 40 FEAB O=C(c1cc(C2CC2)on1)N1Cc2cncn2[C@H](COc2ccccn2)C1 247861581 MWBWVKPIVMCIHT-HNNXBMFYSA-N 365.393 2.420 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)N2C(=O)c2cnccn2)N1 257239518 HPSFQBYHUIUYDS-NJAFHUGGSA-N 350.422 2.491 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)Cn3ccnc3)CC2)C1 257308272 TWDDJSYYXVNAHF-SFHVURJKSA-N 354.454 2.170 0 40 FEAB CCOC(=O)c1cnc(NCCn2cncc2-c2ccccc2)nc1C 585139195 PEPZOLUYMMBIMU-UHFFFAOYSA-N 351.410 2.937 0 40 FEAB Cc1cnc(-c2cc(CC3CCN(S(C)(=O)=O)CC3)ncn2)s1 257341945 ZMNFUTSFRWGSDM-UHFFFAOYSA-N 352.485 2.123 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CCO2)cn1 267634982 GLLQFYMRTZAFMB-UXHICEINSA-N 368.481 2.375 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 629108024 OXBMASMIPPTPQR-VXGBXAGGSA-N 354.332 2.367 0 40 FEAB O=C(O)[C@H]1CC(=O)N(C2CCN(c3ncccc3C(F)(F)F)CC2)C1 650774257 RIRABTKKTXOQJP-JTQLQIEISA-N 357.332 2.002 0 40 FEAB CCn1ccc(NC(=O)C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)n1 657907343 JXDLAXHINLASKB-UHFFFAOYSA-N 371.828 2.492 0 40 FEAB CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)c1cc(C2CC2)no1 671514380 BIBKKZUOEPXIOK-KBXCAEBGSA-N 357.458 2.441 0 40 FEAB CC(C)c1nnc2c(N3CCC(C(N)=O)(c4ccccc4)CC3)nccn12 681666409 AOFQGWCOBUFRSW-UHFFFAOYSA-N 364.453 2.271 0 40 FEAB O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 585095427 QMVOEJXMOIPUNU-MRXNPFEDSA-N 362.437 2.448 0 40 FEAB CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)C/C=C/c2ccccc2F)cn1 685940149 YOOOCOCKHSZJTE-AAXUHFPESA-N 359.401 2.408 0 40 FEAB CN(C1(C(=O)O)CC1)S(=O)(=O)c1ccc(Cl)cc1Br 1777044886 VCUVQHMZYCSQEO-UHFFFAOYSA-N 368.636 2.340 0 40 FEAB COc1ccc(C(=S)N2CCOCC2)cc1I 5514080 HATLFHXAYBCDOT-UHFFFAOYSA-N 363.220 2.308 0 40 FEAB NC(=O)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O 5775543 IIWIEZPBVOUTCK-UHFFFAOYSA-N 353.403 2.440 0 40 FEAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12 12181870 XCCKTAOBRJZQDN-UHFFFAOYSA-N 353.426 2.180 0 40 FEAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccco3)CC2)n1 13225784 ABGQSGJBGIKXCF-UHFFFAOYSA-N 356.426 2.234 0 40 FEAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(C2CCCCC2)CC1 19446860 HXFZQIJIHSVIQW-GOSISDBHSA-N 364.538 2.357 0 40 FEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 19591948 QNTZEMNTLHBYFY-QZTJIDSGSA-N 365.481 2.038 0 40 FEAB COc1cc(OC)c(OC)cc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 8272168 OPEWONYGSAFMKI-MLPAPPSSSA-N 351.384 2.357 0 40 FEAB COc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)ccc1F 618199797 RURZXHVSEHVOEB-KSSFIOAISA-N 357.385 2.179 0 40 FEAB COC1CCN(C2CN(C(=O)Cc3ccc(Br)cc3)C2)CC1 618254981 JFTCLZDRYAJLFY-UHFFFAOYSA-N 367.287 2.313 0 40 FEAB Cc1nnc([C@H]2CN(Cc3nc(Cc4ccccc4)no3)C[C@@H](C)O2)o1 661932754 FGYCUOMJGDPJHY-IUODEOHRSA-N 355.398 2.314 0 40 FEAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1cccs1 9377356 QOOUYAZGMYFPKR-UHFFFAOYSA-N 368.524 2.454 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 5226134 DXZONQPODGOXKV-GFCCVEGCSA-N 357.362 2.291 0 40 FEAB CCC(F)(F)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037989125 WJGIDAFXKZEQGT-UHFFFAOYSA-N 352.381 2.456 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3n2)cc1C 2961179 YTCSAMFYYUFYDN-UHFFFAOYSA-N 359.451 2.481 0 40 FEAB O=C1C[C@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1cccc(F)c1 5222167 ICTGDCNFRHGROG-LBPRGKRZSA-N 370.352 2.188 0 40 FEAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 9713072 RUHSCOLFJUALAN-LBPRGKRZSA-N 371.441 2.113 0 40 FEAB Cc1nnc2ccc(N(C)C3CN(c4ccc(-c5ccccc5)nn4)C3)nn12 1775978189 OKHFXNXPGWRWPO-UHFFFAOYSA-N 372.436 2.215 0 40 FEAB Cc1nc2sc([C@H](c3ccccc3F)N3CCC(O)CC3)c(O)n2n1 22627632 AVZRZTFMDFNSNH-AWEZNQCLSA-N 362.430 2.490 0 40 FEAB Cc1nc2ncnn2c(N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1C 77188710 XNWUZBUYRAVHIM-UHFFFAOYSA-N 350.426 2.270 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)N[C@H](c2n[nH]c(C)n2)C(C)C)n1 79017859 CIQACGVFCTWZME-LBPRGKRZSA-N 366.447 2.194 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1nc2ccccc2[nH]1 102912933 UNBGJAQWAJMVLS-CHWSQXEVSA-N 355.394 2.171 0 40 FEAB CCc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1 8087724 QJTFCDYHVVYYPZ-UHFFFAOYSA-N 362.451 2.483 0 40 FEAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccccc1 8410849 PSVWMHYJWBZQTK-UHFFFAOYSA-N 352.346 2.136 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)C3CC3)CC2)c1 47059446 JOTGULWSSYCRNU-CYBMUJFWSA-N 360.454 2.471 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1Cl 100357059 OURVEZCRYKGHOH-YRGRVCCFSA-N 356.875 2.411 0 40 FEAB Cn1cncc1CN1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108528595 QKYRCUIYXKLUMA-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB COc1ccccc1/C=C/C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 47299059 ANJZGKQMDQBDMR-CFGKVWFZSA-N 365.389 2.402 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177696 OAVSBJMKZLYUAG-UHFFFAOYSA-N 370.424 2.484 0 40 FEAB CC(C)(C)OC(=O)NC1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100436532 ZLYWUYVCLVWVHS-INIZCTEOSA-N 373.453 2.308 0 40 FEAB Cc1ccc(-c2noc(CCC(=O)N3CCN(C(=O)C(C)C)CC3)n2)cc1 58245692 XRAZIWSIPSZJCY-UHFFFAOYSA-N 370.453 2.304 0 40 FEAB Cc1ccc2c(CC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)coc2c1 24675545 KAHCMPJWZAKFBL-HNNXBMFYSA-N 364.467 2.214 0 40 FEAB O=C1CCc2cc(S(=O)(=O)Nc3cc(C(=O)O)ccc3F)ccc2N1 24989660 BHSIIAWCDVWRDT-UHFFFAOYSA-N 364.354 2.209 0 40 FEAB COCCOCCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 47842709 WUHQVADDZPQIDN-UHFFFAOYSA-N 363.454 2.439 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1ccccc12 102734034 FWJHLAYEGYTVCD-MPGHIAIKSA-N 364.467 2.242 0 40 FEAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)Cc3ccccc3C)CC2)on1 58193585 RYFQPKLZBKNHNT-INIZCTEOSA-N 370.453 2.005 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 58208435 WDOIBHFVUOZDCR-CYBMUJFWSA-N 357.454 2.177 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N(C[C@@H]3CCCO3)C[C@H]3CCCO3)cc12 58440790 VIRDPIICEXHDKX-IYBDPMFKSA-N 373.457 2.469 0 40 FEAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 2231463 SHMUOWBKXVZUEP-ONGXEEELSA-N 373.482 2.273 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(=O)OC)cc1 2258098 FQBBBKJBCNNLRB-IINYFYTJSA-N 374.418 2.295 0 40 FEAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2c2ccccc2)c2ccccc21 36359879 GSSGZERUUPSRKW-QFIPXVFZSA-N 355.397 2.280 0 40 FEAB CCOCCCn1c(SCC(N)=O)nc2sc(C)c(C)c2c1=O 3527930 VDCDYVJMNMBYPM-UHFFFAOYSA-N 355.485 2.079 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1COc2ccccc2O1 38622226 IYNAPPLXHWCXII-YOEHRIQHSA-N 374.462 2.078 0 40 FEAB CC(C)CCNC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13549365 LRSHDKDXWFJQNC-NSHDSACASA-N 350.854 2.385 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 5060890 TVXKLPBIZJENNK-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB COc1ccccc1-c1nc(CC(=O)N2CCC(C(N)=O)CC2)cs1 13735519 MDNFYIJDLSDGNX-UHFFFAOYSA-N 359.451 2.085 0 40 FEAB C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4cnccn4)c(O)n1c23 4327656 RTTHYTJMFPZLKQ-SECBINFHSA-N 354.341 2.396 0 40 FEAB O=C(C[C@@H](NCCc1ccccc1)C(=O)O)Nc1ccc2c(c1)OCO2 28232138 WHIIDBXEHYULJH-OAHLLOKOSA-N 356.378 2.029 0 40 FEAB CCc1ccccc1OCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21 6359370 RJOZTSLEVUGION-UHFFFAOYSA-N 368.389 2.156 0 40 FEAB CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 14198827 YOOVVIKMZHAQRI-UHFFFAOYSA-N 360.797 2.337 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C2=O 4514973 CXEMGVDKIGPLAP-BUXKBTBVSA-N 358.394 2.141 0 40 FEAB COc1ccc(-n2c(CN3CCNC(=O)CC3)nc3ccccc32)cc1 65955082 WKWJXQAWVXQLPR-UHFFFAOYSA-N 350.422 2.356 0 40 FEAB COc1cc2c(cc1OC)CN1C(=S)N(Cc3ccco3)C(=O)[C@@H]1C2 4761265 NZXURTSIAWFLJH-AWEZNQCLSA-N 358.419 2.351 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059902 NXDQPDCILMMOQP-UHFFFAOYSA-N 358.352 2.486 0 40 FEAB Cn1ccnc1SCCNC(=O)c1cccc(CN2CCCC2=O)c1 9155782 SLEKXLUFIKKLKO-UHFFFAOYSA-N 358.467 2.065 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1sccc1C(N)=O 7302545 XVQBQNBWOOWJOC-SSDOTTSWSA-N 367.814 2.267 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1 96000650 LNNZIPSNLKVJPV-ZDUSSCGKSA-N 364.471 2.094 0 40 FEAB CC(C)n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 8314712 ZJOPXGZVXBCKON-NSHDSACASA-N 360.443 2.110 0 40 FEAB Cc1ccc(CN2C[C@@H](c3ccnn3C(C)C)[C@@]3(C2)OCCNC3=O)cc1 306127383 FXHIXNCQFKPSSU-GHTZIAJQSA-N 368.481 2.257 0 40 FEAB CC1(C)C(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1(C)C 73246737 YIUFQNWAAOCJQD-UHFFFAOYSA-N 355.442 2.215 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cc[nH]n1 85470786 RSGFTOULYUUQPB-LBPRGKRZSA-N 352.373 2.015 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)c(C)o1 408469521 PIPOQEKAWFKCBH-INIZCTEOSA-N 353.422 2.306 0 40 FEAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 306134996 OEAYQDPWOIWVGO-PXNSSMCTSA-N 357.454 2.120 0 40 FEAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c2)no1 128836837 AZOBHQBOKXNCJF-SUMWQHHRSA-N 358.423 2.438 0 40 FEAB CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)CCCn1c(O)nnc1O 1542450657 AHXJTCWPILAAQX-NVXWUHKLSA-N 374.441 2.096 0 40 FEAB Cc1ccn(CCCNC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36619159 IZRDAENZBVHCSS-UHFFFAOYSA-N 361.409 2.116 0 40 FEAB O=C1S[C@@H](CC(=O)N2CCCC[C@H]2CCO)C(=O)N1c1ccccc1 36635255 JWSVIVQPZCTWDP-ZFWWWQNUSA-N 362.451 2.409 0 40 FEAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 75476965 VIXJERBVEJUDGJ-OAHLLOKOSA-N 359.513 2.227 0 40 FEAB COC(=O)c1ccccc1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 238944961 WIVPFACPHRMHDL-HDJSIYSDSA-N 355.394 2.383 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 225403281 KETFRXUACLRUTJ-OAHLLOKOSA-N 351.410 2.317 0 40 FEAB COc1cncc(O[C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1 225498158 JRMQCLBJEDGUJH-ZDUSSCGKSA-N 365.393 2.112 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223361874 AXIGFYPPWMLETN-INIZCTEOSA-N 352.390 2.223 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1F 583616295 MIFKRGSXMUTRDD-VBQJREDUSA-N 357.447 2.075 0 40 FEAB COc1cnc(NC(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)s1 580286032 ZIMPRJPHQHQNRP-KCJUWKMLSA-N 365.415 2.406 0 40 FEAB COc1ccc(C(=O)N2C[C@@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240920 NUIUPUYDXJBDCC-SFHVURJKSA-N 372.465 2.186 0 40 FEAB CN1CCN(C(=O)CN2CCCC2)C[C@@H](Cc2cncc3ccccc23)C1 257274260 NKFPLAOAFVJOIQ-SFHVURJKSA-N 366.509 2.263 0 40 FEAB NC1CCN(CCNC(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 1120533680 SZDSDKDVSZSTQG-OAHLLOKOSA-N 358.408 2.055 0 40 FEAB O=C(O)[C@@H]1CC(=O)N(C2CCN(c3ncccc3C(F)(F)F)CC2)C1 650774258 RIRABTKKTXOQJP-SNVBAGLBSA-N 357.332 2.002 0 40 FEAB CCn1nc(C)cc1C(=O)N[C@@H](C(=O)O)c1ccc(OC)c(Cl)c1 653666834 IIMUPBDGZCLOTH-CQSZACIVSA-N 351.790 2.429 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1cccc2c1OC(F)(F)O2 655662528 CYIKVTLCIBXZIB-UHFFFAOYSA-N 360.338 2.434 0 40 FEAB COc1ccc2[nH]c(C(=O)N3CCN(c4ccncc4C)CC3)cc2n1 1151617946 FGDMOCLLHQZMGA-UHFFFAOYSA-N 351.410 2.237 0 40 FEAB CC[C@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)CCO1 665171454 XTQFGGMUBUEMBV-KYHPRHEASA-N 362.474 2.380 0 40 FEAB Cn1ccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1=O 674065243 NEIHKMGUFMVLGJ-UHFFFAOYSA-N 361.829 2.123 0 40 FEAB O=C(N[C@]1(C(=O)O)CCc2ccccc21)c1cccc(N2CCCC2=O)c1 675988544 LCWJRUDHRHHHDC-OAQYLSRUSA-N 364.401 2.470 0 40 FEAB Cc1cnn([C@@H]2[C@@H](N[C@@H](C)c3cccc(N4CCOCC4)c3)C[C@H]2O)c1 1775959526 DJMMZUVUOISKSG-KCUHQSDYSA-N 356.470 2.053 0 40 FEAB CN([C@H]1Cc2cccnc2C1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 1776005910 PUHAVJAKTNFSMM-HNNXBMFYSA-N 371.462 2.144 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)[C@@H](C)N=C(O)c3ccccc32)cc1 97531443 GJENWYAJWXIELE-CYBMUJFWSA-N 367.405 2.051 0 40 FEAB biogenic CC[C@H]1OC2(CCN(C(=O)c3cc(C)ccc3N3CCCC3)CC2)NC1=O 1615588300 BJCMCGIJMFRNAI-GOSISDBHSA-N 371.481 2.453 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCCc2cc(Cl)ccc21 622960636 XRNPAPXXWFEFCR-OAHLLOKOSA-N 356.875 2.433 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 585100995 RENCYTARSDTWMA-LJQANCHMSA-N 354.385 2.275 0 40 FEAB C[C@H](NC(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccon1 685940016 LURDMOJJLANYAV-KANYHAFZSA-N 350.369 2.459 0 40 FEAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnc(C)cn3)cc2)C1 19711893 QXJINBWGQYDNRY-AEFFLSMTSA-N 354.410 2.394 0 40 FEAB O=C(NCCc1ccccc1F)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000148 URPPOASFZHRJQI-FUHWJXTLSA-N 371.412 2.152 0 40 FEAB COc1ccc(C(=O)NCCc2cn3ccccc3n2)c(OC)c1OC 12666425 MMHPNOWGKACDPL-UHFFFAOYSA-N 355.394 2.333 0 40 FEAB CCN(c1ccc(OCC(=O)NC)cc1)S(=O)(=O)c1ccc(C)cc1 13585228 AGJWNWLKYZIILR-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712808 WYFZHYNCJXUCIY-FZMZJTMJSA-N 362.879 2.036 0 40 FEAB Cc1ccc(OCCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 16203143 SRJWFCYNNZDZBN-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292053 SQSVGOFGHDHDAF-LBPRGKRZSA-N 369.347 2.028 0 40 FEAB C[C@@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19496492 UESQDFYMSNYBDQ-IAGOWNOFSA-N 372.513 2.018 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CCN(C(=O)COc2ccccc2F)C1 19748006 HYWLAOUVJSQYPZ-KRWDZBQOSA-N 370.424 2.412 0 40 FEAB COCc1ccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)o1 12121346 FFWBDXWIQXELTN-UHFFFAOYSA-N 371.484 2.061 0 40 FEAB O=C(N1CC[C@@H](Oc2ncc(F)cn2)C1)C1(c2ccccc2)CCOCC1 390826778 BWFXMTWVXOPREO-QGZVFWFLSA-N 371.412 2.344 0 40 FEAB Cc1noc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n1 1849319854 AELVRNTVGQIXEC-UHFFFAOYSA-N 357.389 2.139 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2ccc(F)cc2)CC1 32665010 NAKAKJZXZAGQCE-LJQANCHMSA-N 356.397 2.310 0 40 FEAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 33019335 UEUIMKMBBRETSV-INIZCTEOSA-N 366.483 2.206 0 40 FEAB COc1cccc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c1F 2037983953 LRERXFLSCNACMR-IBGZPJMESA-N 350.434 2.294 0 40 FEAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)CCc2ccc[nH]2)cn1 1565546726 JDVKGDVXBXPMFY-OALUTQOASA-N 356.470 2.320 0 40 FEAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 4038986 AUDUOJRQQZETPZ-PDOICOKGSA-N 362.422 2.196 0 40 FEAB CC[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 4061362 HSCWKCQBUOUGNS-GFCCVEGCSA-N 371.466 2.434 0 40 FEAB CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 4119764 LURFVAHGAXPFEW-UHFFFAOYSA-N 367.496 2.036 0 40 FEAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 4694305 CTWTVHMQDVBVGF-LMOYCYGVSA-N 353.296 2.165 0 40 FEAB COCCNCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 8734929 INLYTZUVTXHRPH-INIZCTEOSA-N 359.451 2.367 0 40 FEAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1 11612622 BTBFJZFWVCPAHC-QGZVFWFLSA-N 373.478 2.331 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 13809146 WKUGXFUQUIRHRN-UHFFFAOYSA-N 364.405 2.020 0 40 FEAB CC(C)n1nc(N2CCN(c3nc4ccccc4n3C)CC2)ccc1=O 2298055235 AFLTXROIWGIBPK-UHFFFAOYSA-N 352.442 2.038 0 40 FEAB CC(C)(C)c1noc(CCC(=O)Nc2ccc(N3CCNC3=O)cc2)n1 40090262 PUVUILNTCXRFLX-UHFFFAOYSA-N 357.414 2.468 0 40 FEAB CCN1CCN(c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)cc2)CC1 78714534 OSZNWRNYFUUKQB-SFHVURJKSA-N 361.486 2.146 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 4537339 UPJQJHHHBJHBJY-OWLDWWDNSA-N 364.323 2.451 0 40 FEAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 22024892 YNAWJPFKJBNWDF-UHFFFAOYSA-N 363.483 2.442 0 40 FEAB COc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1Cl 10337904 QNCCVNFCIXRPCZ-UHFFFAOYSA-N 362.879 2.419 0 40 FEAB O=C(c1ccccc1C(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1 53637150 MZYFEBUUWAKACK-UHFFFAOYSA-N 370.371 2.416 0 40 FEAB COCc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 23048065 MVSILZOKLMSOSQ-UHFFFAOYSA-N 357.362 2.035 0 40 FEAB Cc1ccccc1[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 12544637 NWXIGHNVGUVJSR-QGZVFWFLSA-N 360.417 2.380 0 40 FEAB COc1ccc(S(=O)(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 1430266 PZWWJHVZSVDSEW-UHFFFAOYSA-N 364.814 2.344 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(N2CCOCC2)nc1)c1ccsc1 25331802 VGSHCGOESIYICL-MRXNPFEDSA-N 360.483 2.012 0 40 FEAB O=C(CNCCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 22037922 RBWTYMAOBITSCC-UHFFFAOYSA-N 365.783 2.219 0 40 FEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426626 NZJYETAWXMFSBR-GFCCVEGCSA-N 351.472 2.186 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)C(C)C)CC1 27182351 NANDONWNBDCTHT-CYBMUJFWSA-N 371.503 2.195 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccn3)n2)cc1OC 58163094 POYCHBIMVFSDNY-UHFFFAOYSA-N 374.422 2.144 0 40 FEAB CCN(C)Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CN3C)c1 58190781 BMBSBDQRCILGTC-UHFFFAOYSA-N 366.465 2.457 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 58229192 OWPCBLHCIPNWQB-OAHLLOKOSA-N 352.500 2.330 0 40 FEAB O=C1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)N1 100156356 BAWBRRDWJSOJRR-MBNYWOFBSA-N 374.466 2.467 0 40 FEAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(=O)n(C)n1 58248542 ANUCOMABRIECMP-UHFFFAOYSA-N 369.400 2.014 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2OC)cc1 113938724 XNDABFCCBKLLEV-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB CCCNC(=O)C1CCN(C(=O)NCCc2ccc(F)cc2F)CC1 69956648 YQIJNMBCDLRARV-UHFFFAOYSA-N 353.413 2.455 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1C 9316748 RBHUZIZIZRJQHJ-ZDUSSCGKSA-N 374.466 2.083 0 40 FEAB CC(C)CCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859237 WQXORFWHHAMLAN-OAHLLOKOSA-N 374.890 2.419 0 40 FEAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)cc1 306135268 OMDJDZDZECAPOP-MSOLQXFVSA-N 367.497 2.283 0 40 FEAB CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 4488079 UVRAOOQQLPVLPO-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)COc1ccc(F)c(Cl)c1 6851773 ONTCOLSQQABLTF-UHFFFAOYSA-N 354.765 2.226 0 40 FEAB Cc1ccc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 15109492 HTVRFKFPNLBDHB-ZBFHGGJFSA-N 367.474 2.291 0 40 FEAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 4926174 VWKMEDUACYWLSV-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC1CCCC1 71285420 CXNJALVRKWXWIY-UHFFFAOYSA-N 364.877 2.230 0 40 FEAB O=C(CN1CCc2ccccc21)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 7347922 HMOKSCXJYMXRIP-SFHVURJKSA-N 370.474 2.269 0 40 FEAB O=C(O)/C=C/C(=O)N1N=C(c2ccccc2)C[C@]12C(=O)Nc1ccccc12 9183958 AIONHHFHUHFSJL-CFGKVWFZSA-N 361.357 2.111 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N3CCOCC3)C(=O)[C@@H]2C1 408685499 QVQXZXTWLWIOAL-GOEBONIOSA-N 354.406 2.005 0 40 FEAB COc1ccc([C@@H](NC(=O)Cc2c(C)noc2C)c2nccn2C)cc1 16475698 HRWAXAMQNGRGCT-GOSISDBHSA-N 354.410 2.482 0 40 FEAB Cc1ccc(N2CCCN(C(=O)c3cccc(OC(C)C)n3)CC2)nn1 179080182 HHYYAZMSPMFGRJ-UHFFFAOYSA-N 355.442 2.320 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC=C(c2ccccc2)CC1 8229613 MYJFEKXHVZYEEZ-UHFFFAOYSA-N 353.422 2.167 0 40 FEAB Cn1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1=O 8327574 ONLSXQYQOMWTEU-UHFFFAOYSA-N 354.435 2.410 0 40 FEAB Cc1cc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9322137 VPZLBNHQYDUAFG-OLZOCXBDSA-N 364.492 2.327 0 40 FEAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(C(=O)C4CC4)C2)OC3)c1 306138698 SEQHQCARSBVSSX-FQEVSTJZSA-N 353.422 2.470 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1F)S(C)(=O)=O 9690326 DXTSZMNHAXCTFJ-SNVBAGLBSA-N 350.843 2.406 0 40 FEAB CCCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 72309888 QXPNKHQYBVDZCK-INIZCTEOSA-N 367.515 2.427 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccc(OC)cc2)CC1 408703047 MBDRLRBGZWPXBK-MRXNPFEDSA-N 350.415 2.153 0 40 FEAB Cc1nnnn1-c1cc(NC(=O)N[C@H](CO)c2ccc(F)cc2)ccc1F 515326661 KOFUHOCVSFZHHW-OAHLLOKOSA-N 374.351 2.104 0 40 FEAB CSCC[C@@H]1NC(=S)N(CC2(N3CCSCC3)CCCC2)C1=O 30920763 BUEMNRZOKUTQPX-ZDUSSCGKSA-N 373.613 2.186 0 40 FEAB O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)[C@H](O)C1CCCCC1 527356455 DDHBJSUPUJAUED-MRXNPFEDSA-N 367.409 2.401 0 40 FEAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1C(C)C 72403160 RJQUMHQXMXDZBE-NSHDSACASA-N 367.471 2.496 0 40 FEAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)nsc32)cc(OC)c1O 66091689 WRLLWYZSZJCLMN-SSDOTTSWSA-N 350.352 2.038 0 40 FEAB COc1ccc(Cl)cc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1 75161859 KAGXAJCGOMZYCR-UHFFFAOYSA-N 361.833 2.143 0 40 FEAB CCN(Cc1ncc(C(=O)O)cn1)S(=O)(=O)c1ccc(Cl)cc1 49468386 SAENWMVDUVJLNP-UHFFFAOYSA-N 355.803 2.039 0 40 FEAB COc1cc(N2CCC3(CC2)C[C@H](N(C)Cc2ccco2)CO3)ncn1 96158686 ARFCDTNUGSJCKX-HNNXBMFYSA-N 358.442 2.338 0 40 FEAB Cn1c(C[C@H]2CN(C(=O)C3CC3)CC[C@H]2CC(=O)O)nc2ccccc21 514289736 OBKQCWSMVQOKJI-GJZGRUSLSA-N 355.438 2.465 0 40 FEAB biogenic,in-vitro Cc1nc(CN2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 96229292 LTBPVUJAJIIZAV-QGZVFWFLSA-N 352.504 2.048 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 96226982 KSULYFPOXWMFQI-KNQAVFIVSA-N 363.461 2.488 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4ccco4)nc3[C@@H]2C)no1 247909541 KVUOWCBRSHIAJH-ZDUSSCGKSA-N 355.398 2.279 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC2(CC[C@@H](CN3CCCC3)CO2)C1 247832059 LEMACYOWMLAXTB-INIZCTEOSA-N 372.465 2.175 0 40 FEAB O=S(=O)(NC1CCCC1)N1CCC(N2CCc3cc(F)ccc32)CC1 585084738 FEFKUNKJBQIPCZ-UHFFFAOYSA-N 367.490 2.430 0 40 FEAB O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CCCC[C@H]1n1cccn1 585140009 MUIOBKFTEQELND-DLBZAZTESA-N 369.473 2.125 0 40 FEAB Cc1noc([C@H]2CN(C(=O)N[C@@H]3C[C@]3(F)c3ccccc3)C[C@@H](C)O2)n1 624245547 IWTBOJLMDXVJGJ-FSUOKIBISA-N 360.389 2.487 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cnnc(C)c1)CC2 630162144 XYLRGLXHXKWUQS-OAHLLOKOSA-N 371.393 2.017 0 40 FEAB Cc1ccc(-c2n[nH]cc2CN2CCC[C@](O)(CC(=O)N(C)C)C2)cc1 643755566 XVXBDZMFRMQLHC-FQEVSTJZSA-N 356.470 2.190 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1Cc1cc(-c2ccncc2)ccc1OC 643763841 JHLCXWCMEMHTEE-HXUWFJFHSA-N 355.438 2.224 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1C)C2 585103425 WFXYQGCIIOYBDL-INIZCTEOSA-N 352.500 2.116 0 40 FEAB O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 1641488157 UWWOMUXUTNHAHQ-LAUBAEHRSA-N 368.408 2.099 0 40 FEAB Cc1nc(CC2CC2)oc1C(=O)N1CCc2c(ncn2C)C12CCOCC2 1615592313 XCXCBEOPNKADHG-UHFFFAOYSA-N 370.453 2.373 0 40 FEAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2-c2ccco2)on1 12184417 PXUDCPPGMHLAES-UHFFFAOYSA-N 353.382 2.402 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 13146302 NJQGBENKAPWPLQ-HZPDHXFCSA-N 370.405 2.143 0 40 FEAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@@H]2CCOC2)on1 19123416 KKUYSQXUEMSXQL-GFCCVEGCSA-N 357.414 2.009 0 40 FEAB Cc1ccnn1C[C@H](C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19238344 IUGKWVYTIVIBGM-INIZCTEOSA-N 372.469 2.177 0 40 FEAB CCc1cc(CNC(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)on1 19522824 FDJNBKYQZGRGAT-HNNXBMFYSA-N 369.421 2.302 0 40 FEAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1nc3ccccc3[nH]1)C2 19375841 CQSVYUOECGMWLS-UHFFFAOYSA-N 358.405 2.267 0 40 FEAB O=C(O)[C@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 580270907 NJBGFSHWMBAQIY-QGZVFWFLSA-N 371.418 2.019 0 40 FEAB Cc1cnn(CC2CN(c3nc4c(S(C)(=O)=O)cccc4s3)C2)c1 1889149281 UQFANSQVOZPANZ-UHFFFAOYSA-N 362.480 2.341 0 40 FEAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1F 39197679 QMSCQQXETQSYFE-MRXNPFEDSA-N 364.442 2.005 0 40 FEAB COc1cc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4ccsc4)C3=O)C2)on1 1614932374 AZSNGULOPFLCBD-PIGZYNQJSA-N 361.423 2.260 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H]2C(=O)N(c3ccsc3)CC[C@H]2C1 1565542284 NNCGPAMLPSGCJD-BLLLJJGKSA-N 359.426 2.336 0 40 FEAB COc1ccc2nc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)sc2c1 13792225 GYLHDKKLQMMNED-GFCCVEGCSA-N 369.468 2.058 0 40 FEAB Cc1ccn2c(=O)c(C(=O)N[C@H](C)CCc3ccccc3)c(O)nc2c1 17143850 CWWOPDBCYMXJLE-CQSZACIVSA-N 351.406 2.460 0 40 FEAB O=S(=O)(C1CC1)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 2055751444 YYIHUYRHSRZVFS-MRXNPFEDSA-N 365.499 2.111 0 40 FEAB NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 5001009 BAOTZAIOAZYPJP-UHFFFAOYSA-N 361.448 2.165 0 40 FEAB C[C@@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 40047547 YHRGIPXDXCHCHS-LRDDRELGSA-N 355.360 2.480 0 40 FEAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40160806 RMIXUBFPLHLYQB-CQSZACIVSA-N 357.237 2.457 0 40 FEAB NC(=O)COc1ccc(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c23)cc1 40156192 KJSRZQGRNMWLQZ-UHFFFAOYSA-N 360.370 2.481 0 40 FEAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2Cl)ccc1O 40286253 CHILFEMOJPDRAS-UHFFFAOYSA-N 362.769 2.087 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccc(C(F)(F)F)c1 102260990 YRWAIVXMOQMSNB-OKILXGFUSA-N 368.355 2.497 0 40 FEAB COc1ncccc1C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 60265224 JFUCBLCEMDOELW-UHFFFAOYSA-N 359.451 2.495 0 40 FEAB Cn1nc(Br)c2c(NC[C@@H](O)c3ccccc3F)ncnc21 60363099 UZGYLSNQNOJERU-SNVBAGLBSA-N 366.194 2.410 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 2637548 SZRNOICEQZJYME-OAQYLSRUSA-N 363.417 2.039 0 40 FEAB Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCN(C)C)cc1 2678698 KJRCIJFHPHNTER-XDJHFCHBSA-N 351.450 2.444 0 40 FEAB C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NC1CC1 21701807 CXFJBUYNHXGCIQ-GFCCVEGCSA-N 361.471 2.279 0 40 FEAB NC(=O)c1c(NC(=S)NC(=O)Cc2ccccc2)sc2c1CCC2 6927323 MUCPSKOHVFRGPY-UHFFFAOYSA-N 359.476 2.391 0 40 FEAB COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 55745652 UICGSUZXQJDEAY-UHFFFAOYSA-N 366.414 2.361 0 40 FEAB Cc1c(NC(=O)c2ccc3c(c2)OCCCO3)cccc1-n1cnnn1 9153923 WCHSCURJAZWIQL-UHFFFAOYSA-N 351.366 2.384 0 40 FEAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 60800182 IQJNOGQUQISBDK-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB CC(C)c1ccc(CN2CCN(Cc3oc(CO)cc(=O)c3O)CC2)cc1 22804627 SZVTWAAXTDRGME-UHFFFAOYSA-N 372.465 2.279 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 42070931 ILPWALPPFBZKNM-GFCCVEGCSA-N 366.414 2.240 0 40 FEAB O=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)N1CCCC1 23295114 STOXFJLWXWUHQK-UHFFFAOYSA-N 351.450 2.220 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102382093 UZUQNEUUYHKYPF-YFHUEUNASA-N 372.465 2.209 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)Nc1ccc(Cl)cc1 54649849 YGCNBGYAJKMSFQ-AWEZNQCLSA-N 361.833 2.389 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(C)C)C2)cc1 25976320 LMPRZNLROYOGNI-LSDHHAIUSA-N 368.499 2.257 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 1428434 OXPRGUHMWIHVAT-SFHVURJKSA-N 358.463 2.199 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]4C=C[C@@H]3O4)nn2c1O 100139258 KLKSFMQPWISPJW-YVVXQTMVSA-N 368.437 2.313 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)C1 25380819 MPWRPZGQOWMCBU-HIFRSBDPSA-N 366.483 2.304 0 40 FEAB O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 56085428 IFPHJKQRRLCUMK-ZDUSSCGKSA-N 365.368 2.398 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3c(Cl)cccc32)cc1 57021543 RQJAKSPFAJOLCA-HNNXBMFYSA-N 350.827 2.405 0 40 FEAB CCN(CCS(=O)(=O)c1cc(C)ccc1C)CC(=O)NC(C)(C)C 57450106 XTFCAAHXPSKGID-UHFFFAOYSA-N 354.516 2.314 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102082579 RIHYVLZKOCDPCH-QMWCDGKBSA-N 350.418 2.295 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCC(=O)N(C)C)c3c(C)noc3n2)s1 48287383 MSLLEPXKBPVSOS-UHFFFAOYSA-N 358.423 2.386 0 40 FEAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1C 1941402 QOJNKLMFYGETIE-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCO1 27393109 CPFMLFYXWVXUFI-DOMZBBRYSA-N 370.902 2.487 0 40 FEAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 3314096 IULREMQHDIVEFP-UHFFFAOYSA-N 361.781 2.471 0 40 FEAB CN1CCN(CC(C)(C)CN2CCC(O)(c3ccccc3F)CC2)CC1 23247913 WIKZBODVKNGEQZ-UHFFFAOYSA-N 363.521 2.383 0 40 FEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1COc2ccccc2C1 28075043 FSZTXZNQKMEAKX-GFCCVEGCSA-N 366.339 2.235 0 40 FEAB COc1ccc(COC[C@H](O)Cn2c(C)nc3ccccc3c2=O)cc1 12943741 SFSKKTRNVODNGK-MRXNPFEDSA-N 354.406 2.291 0 40 FEAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3600527 YRRYIHBFFTUPJJ-KRWDZBQOSA-N 351.834 2.412 0 40 FEAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CN3C(=O)CNC3=O)c2)C1 63265166 BFAKFQLFDKGUGI-CJNGLKHVSA-N 359.426 2.272 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(I)cc1 49452391 BZVLZHWVXDHQQT-VHSXEESVSA-N 374.222 2.324 0 40 FEAB Cc1occc1-c1nnc(SCn2nnc3ccccc3c2=O)n1C 6083348 AEGWNJXDRBIAMA-UHFFFAOYSA-N 354.395 2.238 0 40 FEAB Cc1ccc(SCCNC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 8504448 NWJQPOOCOYTLNM-UHFFFAOYSA-N 364.496 2.215 0 40 FEAB COc1ccc(C(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)cc1 6159895 KCEVVDXFYDUBSL-KRWDZBQOSA-N 366.421 2.387 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccs2)cc1 8735573 WNDJCNAORIOKJT-GFCCVEGCSA-N 368.480 2.164 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)cc1 8709070 XZHMUWUWTCKKBN-GOSISDBHSA-N 364.405 2.164 0 40 FEAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)O 4702386 IDGAJPAIDZLTCV-NTEUORMPSA-N 368.345 2.256 0 40 FEAB COc1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)cc1OC 5689573 IWLSUDSFQASWMF-UHFFFAOYSA-N 364.423 2.158 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 8923368 IZGHCWXTGUYOHD-GFCCVEGCSA-N 355.847 2.260 0 40 FEAB COC[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccc(C)o1 90600331 AISCZTZEJODFRC-HNNXBMFYSA-N 362.405 2.341 0 40 FEAB O=C(c1ccccc1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974778 BRHCYBVFQDHPGM-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 8281944 ISUZVQQSZAYKGX-SFHVURJKSA-N 355.346 2.211 0 40 FEAB CCCCNC(=O)NC(=O)CN(CCC)[C@H](C)C(=O)Nc1ccccc1 70007028 RESHRLLCWNROGQ-OAHLLOKOSA-N 362.474 2.352 0 40 FEAB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@H]1CCCOC1 96002022 ZHMOYFFDEOMRRQ-CABCVRRESA-N 353.488 2.483 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9313937 UPOXYWPIKFKGMH-FOIQADDNSA-N 357.454 2.331 0 40 FEAB O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@H](c2nc[nH]n2)C1 72313787 IMAAKESBTSUNDF-JTQLQIEISA-N 355.320 2.161 0 40 FEAB COc1cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc(OC)c1OC 9485120 QVIBIENJQAUYES-CYBMUJFWSA-N 372.425 2.358 0 40 FEAB O=c1ccccn1Cc1ccc(CNC(=S)NC[C@H]2CCCO2)cc1 84606402 YZOVUNUASDUBEG-QGZVFWFLSA-N 357.479 2.040 0 40 FEAB O=C(NCc1nnc2n1CCC2)N[C@@H](Cc1ccccc1)C(F)(F)F 95419092 NDCCFALTJOYMQU-LBPRGKRZSA-N 353.348 2.197 0 40 FEAB C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 74217482 DNLBDAVWUUAPJB-OLZOCXBDSA-N 373.906 2.041 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)Cc3coc(-c4ccccc4)n3)CCO2)cn1 75107471 IEURSJLGJIWSCY-KRWDZBQOSA-N 352.394 2.218 0 40 FEAB CCc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 21596531 RQYXMLSYMTUAHG-UHFFFAOYSA-N 363.464 2.023 0 40 FEAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C(=O)Nc2ccccc21 408779392 DNNRGRIRALDCIE-BUHFOSPRSA-N 367.748 2.329 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CC3)nc2-c2cccs2)on1 72337023 MXCUBFCYHQPVFX-UHFFFAOYSA-N 356.407 2.214 0 40 FEAB Cn1c(N)c(CN(Cc2ccccc2)Cc2ccccc2)c(O)nc1=O 1554503041 BRVKWDTWNDMRHI-UHFFFAOYSA-N 350.422 2.271 0 40 FEAB CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)CCc1ccccc1 543382935 AUDYOMZCZGOGHH-IAGOWNOFSA-N 364.511 2.188 0 40 FEAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)NCc1ccc(F)cc1 36596922 JACAFEMEOUDAFC-OAHLLOKOSA-N 359.357 2.140 0 40 FEAB CCOC(=O)c1sc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1N 72221324 OFSZLYQFIBUWEP-JTQLQIEISA-N 370.475 2.396 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 72326961 AZYLCOQHARWZNX-XQJRBRMLSA-N 370.497 2.042 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1 32444005 WMADPSYKOWEKFH-UHFFFAOYSA-N 360.435 2.301 0 40 FEAB COc1cccc(-c2c3c(=O)n(-c4ccccn4)ccc3nc3ncnn23)c1 40398276 DNHJAUKGYBTNPW-UHFFFAOYSA-N 370.372 2.499 0 40 FEAB Cc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 223772562 OVQICULEMWZAJJ-UHFFFAOYSA-N 360.479 2.381 0 40 FEAB C[C@@H](C(=O)NCc1ccncc1)n1nc(-c2ccc(F)cc2)ccc1=O 44392018 OUFLLCNXVWTJQA-ZDUSSCGKSA-N 352.369 2.322 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)cc1F 225105560 GKFDUTXJSIUSIY-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB CSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)s1 223651649 SXNMSLGFGQYLLH-UHFFFAOYSA-N 358.470 2.192 0 40 FEAB COc1cccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)c1 225162966 GJDVKIGQNJKIGU-KRWDZBQOSA-N 363.435 2.320 0 40 FEAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(CC(N)=O)cc4)cn1c23 225862110 ZPPZCVWCVAIKFX-LBPRGKRZSA-N 361.401 2.399 0 40 FEAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)c1 224868902 SEHSEIRMFTWRQA-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB COc1ccc(C(=O)CNC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)cc1 95474206 IKGIEXXRWHJJAJ-UHFFFAOYSA-N 367.409 2.048 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2C 96263359 DEOBXAALFFHQDE-UHFFFAOYSA-N 353.470 2.468 0 40 FEAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C(=O)c3cccs3)C2)C1 96047093 AXRZIYWJXSTRED-SFHVURJKSA-N 356.451 2.307 0 40 FEAB Cn1c(C(=O)NCc2ccncc2)nc2c1CCN(Cc1ccccc1)C2 96147097 VDDDSRWYEMIMJP-UHFFFAOYSA-N 361.449 2.303 0 40 FEAB CCn1nnc2c1CCN(C(=O)c1cn(C)c3ccccc13)[C@@H]2COC 96068758 YRWUWCLOKQLZKQ-QGZVFWFLSA-N 353.426 2.176 0 40 FEAB CCOc1ccsc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96205904 FHUDJXZONHBKSJ-GOEBONIOSA-N 350.484 2.330 0 40 FEAB Cc1cc(CN2Cc3cncn3C[C@@H](COCc3ccccn3)C2)no1 96207448 DXKUDQHGRBGGMY-INIZCTEOSA-N 353.426 2.423 0 40 FEAB O=C(c1cocn1)N1CC2(C[C@H](CCOCc3ccncc3)CCO2)C1 247852418 JHEKTPSMURBKJS-OAHLLOKOSA-N 357.410 2.298 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]1CO 249104368 QFEMXDKKMKVSGJ-GLJUWKHASA-N 367.440 2.342 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257338585 YYBQYOQGSKZYNE-KRWDZBQOSA-N 356.388 2.063 0 40 FEAB Cc1nc([C@]2(C)CCCN(Cc3cccnc3)C2)nc2c1CC(=O)N2C 257315970 VDNWTPFWRGZJRG-HXUWFJFHSA-N 351.454 2.253 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC(C)C 257297441 RHGAULAVXQTUNV-MRXNPFEDSA-N 358.486 2.277 0 40 FEAB O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)C1CCN(c2cnccn2)CC1 653329625 YFEZKSJYHRQQFJ-SJORKVTESA-N 366.421 2.122 0 40 FEAB Cc1oc(C(C)C)cc1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 671769703 QMRQWQFVHYZIQG-MGBSGCIJSA-N 356.422 2.248 0 40 FEAB O=C1CCC[C@H](CNC(=O)c2cccnc2OCc2ccccc2F)N1 684077681 KELLXAGTVMUEHV-CQSZACIVSA-N 357.385 2.198 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NCc2cccc(F)c2)c1 575420697 JFHCCIUVKZYCKW-QGZVFWFLSA-N 362.426 2.355 0 40 FEAB CC1CC(C(=O)N2CCC[C@@]3(CCN(CC4CCN(C)CC4)C3=O)C2)C1 585100919 GBPAKHKFOHNFLV-QYGXFBIXSA-N 361.530 2.215 0 40 FEAB CC(C)OCc1cccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 49150291 WALNAAFJZYEGJK-MRXNPFEDSA-N 371.524 2.148 0 40 FEAB CO[C@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 56471849 XKVIZWBTLJOVQN-QGZVFWFLSA-N 352.390 2.177 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1CCN(c2cccc(O)c2)CC1 57290113 PCCOHQSMTMVICI-UHFFFAOYSA-N 355.438 2.470 0 40 FEAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 635015502 PGIMDMGAUJGNSP-CQSZACIVSA-N 356.344 2.326 0 40 FEAB Cn1nccc1[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 1639548276 ODZCZZVUEDBEKL-SOLBZPMBSA-N 369.469 2.386 0 40 FEAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3ccccc3)C2=O)cc1 5799055 IQGABFISDCYLCN-GHRIWEEISA-N 365.389 2.342 0 40 FEAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N(C)C 16163218 YBXNXPBCNOTDAY-UHFFFAOYSA-N 370.377 2.476 0 40 FEAB COc1cc(CNc2nc(-c3cnc(C)nc3C)cc(=O)[nH]2)cc(OC)c1 19552632 JHWGQKIGRUJGDB-UHFFFAOYSA-N 367.409 2.473 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2cccc(F)c2)CC3)C1 19709485 JBPVSUAILVOQBN-KRWDZBQOSA-N 371.460 2.201 0 40 FEAB O=C(NC1CCCC1)[C@@H]1CCN(C(=O)CCN2CCc3ccccc32)C1 19747723 VULCXIAWALVXLI-QGZVFWFLSA-N 355.482 2.347 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1 6949156 RQCYNZVWYKZCHH-OAHLLOKOSA-N 363.439 2.392 0 40 FEAB CN(C)c1ccc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)nn1 1889108796 QNAGXPSMRJYJSB-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1 22277124 XVGOXNJFWBPXNM-UHFFFAOYSA-N 364.453 2.434 0 40 FEAB Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1 28789160 IWWVCOQFYMSOQP-UHFFFAOYSA-N 356.407 2.436 0 40 FEAB CCSCC(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224112 DHYWRYQASSZCCO-IBGZPJMESA-N 367.559 2.067 0 40 FEAB Cc1csc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1 1565554509 TWDWMCLKDNLTBN-WBVHZDCISA-N 364.511 2.398 0 40 FEAB CCn1c(-c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2c1Br 4594031 HIKXTSMZULWWSN-UHFFFAOYSA-N 362.227 2.488 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(OC)c(OC)c1 10256302 CVMVHIYEZOKBTQ-MRXNPFEDSA-N 369.421 2.091 0 40 FEAB O=C(COc1ccccc1)NCCCn1nc(-c2ccccc2)ccc1=O 11738310 SILANIXUMWRDAL-UHFFFAOYSA-N 363.417 2.496 0 40 FEAB CCn1cc(-c2noc(CNC(=O)CCn3cnc4ccccc43)n2)cn1 585401195 NMEZDVJLVIBFLP-UHFFFAOYSA-N 365.397 2.009 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2ccc(O)cc2)NC(=O)N3)cc1 12346439 IPFIOLUCXYOGNB-SFHVURJKSA-N 365.389 2.051 0 40 FEAB Cc1cnc(N)c(C(=O)C2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 72373409 PZLDESPJIMWZHD-UHFFFAOYSA-N 353.426 2.114 0 40 FEAB NC(=O)CCN(Cc1ccccc1)C(=S)NCc1ccc2c(c1)OCO2 15480269 WMIJPHKUGDWDQG-UHFFFAOYSA-N 371.462 2.167 0 40 FEAB Cc1nc(CSCC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cs1 40087305 HREUTQOEEYKBQP-RWMBFGLXSA-N 357.545 2.299 0 40 FEAB Cc1nc(CSCC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cs1 40087307 HREUTQOEEYKBQP-YNEHKIRRSA-N 357.545 2.299 0 40 FEAB COC(=O)c1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)n1 40145290 NLAHWBXDFLGYNM-UHFFFAOYSA-N 350.378 2.026 0 40 FEAB O=C(Cc1cnn(-c2ccccc2)c1)NCCS(=O)(=O)c1ccccc1 40154845 UMWPWGSMLOEFIG-UHFFFAOYSA-N 369.446 2.005 0 40 FEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 40135691 LFRJIDRXGURCIZ-GOEBONIOSA-N 373.497 2.216 0 40 FEAB COCCCN1CNC2=N[C@@H](c3ccco3)n3c(nc4ccccc43)N2C1 20101791 WVHGRJDUDPYAGZ-QGZVFWFLSA-N 366.425 2.209 0 40 FEAB COc1ccc(CN2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101359105 VMSAHJGSAMXLGR-NVXWUHKLSA-N 354.337 2.122 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC[S@@](=O)Cc2ccccc2)cc1 32765036 QEOULUGAOFAHQI-QHCPKHFHSA-N 367.492 2.265 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cc1 32833830 JFBLAOODCHXGDX-UHFFFAOYSA-N 367.379 2.270 0 40 FEAB COc1cccc(CN2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)c1 6741659 UQXFHCWYCVWNPN-NEPXVJNWSA-N 372.465 2.086 0 40 FEAB COc1ccc(-c2noc(CN3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 20950685 QQZICTQCSQPTDE-KRWDZBQOSA-N 358.442 2.042 0 40 FEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2ccccc2[nH]1 42076222 ZTZICPUKJYWMLQ-UHFFFAOYSA-N 369.446 2.290 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)c1C 23190590 VIDGGHTYMADPJJ-INIZCTEOSA-N 359.470 2.253 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1cccc2cn[nH]c12 24666648 SJQRDDPLKHQXIF-INIZCTEOSA-N 366.446 2.394 0 40 FEAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1 1392273 DTVPQOMQZGSJRP-UHFFFAOYSA-N 367.858 2.249 0 40 FEAB Cc1c([C@@H](C)NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cnn1C 24999433 FVCDGESGCPFRMY-SECBINFHSA-N 355.847 2.276 0 40 FEAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3-n3cccn3)nnc12 55850977 VCBDSJLVUZUSLE-UHFFFAOYSA-N 371.404 2.379 0 40 FEAB CCOCCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179991 XOIFHGZGMWBMCE-IXAFZWLNSA-N 372.465 2.484 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2ccccc2)CC1 26519823 HPFQRDJPGDNIRF-KRWDZBQOSA-N 353.422 2.358 0 40 FEAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4n[nH]cc4Cl)C3)nn2c(O)c1C 100137738 VMZYDUOVCAFDNU-LLVKDONJSA-N 374.832 2.448 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)NCc2ccc(C(=O)N(C)C)cc2)c1 12780554 WPNFOZQXPJWFNF-UHFFFAOYSA-N 367.449 2.133 0 40 FEAB Cc1cccc(OCCN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 44740460 CYIQEAMBBRCQTL-IBGZPJMESA-N 359.514 2.392 0 40 FEAB CCn1c(N2CCN(C(C)=O)CC2)nc2sc3c(c2c1=O)CCCC3 20745975 KVQXYLBOIOGONG-UHFFFAOYSA-N 360.483 2.025 0 40 FEAB O=C(CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)NC1CCCCC1 58156912 KDXYWIOYNLOGQD-LJQANCHMSA-N 373.478 2.181 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C2=O)o1 58184531 DJBVQEVWTUESGS-KRWDZBQOSA-N 363.320 2.272 0 40 FEAB COc1ccc(CC(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1 58193537 VAOPTPOGRYCNIF-CQSZACIVSA-N 370.453 2.404 0 40 FEAB CN(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)ccn1 58200852 ANOFXWPJHBWXRI-SFHVURJKSA-N 366.465 2.111 0 40 FEAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 44902841 ARMAFWFZTGRZQO-UHFFFAOYSA-N 366.377 2.309 0 40 FEAB O=C(CSc1ccc2c(c1)CCC2)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12771410 ZLMZQWSXEUTWDG-INIZCTEOSA-N 365.520 2.446 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccc(OC)cc3)ccc21 10856815 DRFAZVZDABSAIS-UHFFFAOYSA-N 354.366 2.255 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)CSc1ccc(C(C)=O)cc1F 45332867 BFVFAQUJLZOLRI-UHFFFAOYSA-N 354.447 2.494 0 40 FEAB Cc1noc(C)c1CN(C)C(=O)CS(=O)(=O)CCCc1ccccc1 58804895 PPJGZPJIXLRQAW-UHFFFAOYSA-N 364.467 2.297 0 40 FEAB CNC(=O)NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 11285028 NERAAQAFEYAQNH-ZDUSSCGKSA-N 373.453 2.102 0 40 FEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)on2)cc1OCC 12850251 NOHNTDIAFGELGO-UHFFFAOYSA-N 361.398 2.491 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022089 DQHVGKHKMKJZNQ-WPMYHTOXSA-N 373.428 2.001 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1-n1cncn1 7780240 RSTKZTBJMVXBRI-UHFFFAOYSA-N 353.773 2.304 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccccc2)n[nH]1 12974304 BXGVGQDBHMMHJE-UHFFFAOYSA-N 360.377 2.280 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 13060425 JCHUHYSFLIIFKR-UHFFFAOYSA-N 374.462 2.328 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)O)c(C)c12 4081348 SDOFJRBZPHZENA-ZDUSSCGKSA-N 359.378 2.037 0 40 FEAB biogenic COC(=O)C1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 16694942 GGHFKAFAXKJTIX-UHFFFAOYSA-N 369.343 2.467 0 40 FEAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)NC2CCCC2)cc1 14197750 BKSTURHRZMWZMD-LBPRGKRZSA-N 361.471 2.269 0 40 FEAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(OCC(N)=O)cc1 14244955 JVKDEYGPPFINIT-UHFFFAOYSA-N 362.813 2.355 0 40 FEAB C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 6670138 GINKILKVQXJDMA-LBPRGKRZSA-N 367.357 2.090 0 40 FEAB C/C(NN1CCCCCC1)=C1/C(=O)N=C(O)N(c2ccccc2C)C1=O 16994558 AQMUVCPTZQZQCE-JQIJEIRASA-N 356.426 2.437 0 40 FEAB COc1cccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1 14863995 WNPCASPNMKHXIK-UHFFFAOYSA-N 352.390 2.340 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 8343749 NDAIWXAKSLKACX-PMACEKPBSA-N 365.477 2.454 0 40 FEAB CC(C)C[C@H](CN(C)C)NC(=O)NCc1n[nH]c(-c2cccs2)n1 66700081 REHOPXHOZNSWQF-GFCCVEGCSA-N 350.492 2.309 0 40 FEAB Cc1nnc([C@H](C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)o1 66884584 LSVOXEVIGVMZMJ-HNNXBMFYSA-N 369.469 2.036 0 40 FEAB CCOc1cc(-c2nnn(CC(=O)NCc3ccccc3)n2)ccc1OC 4943238 AFCPMOVJCYMZRA-UHFFFAOYSA-N 367.409 2.064 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2n[nH]nc2Nc2ccc(CC)cc2)CC1 67284244 VILYUBYZOVGWGW-UHFFFAOYSA-N 372.429 2.025 0 40 FEAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCCCC2)=C1C(=O)OC 67287853 LLUYJQOAPQFMMX-SFHVURJKSA-N 373.453 2.352 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 408617793 DCZAOEMLOXTQQY-UHFFFAOYSA-N 354.472 2.108 0 40 FEAB CC(C)CC(=O)N[C@@]1(C(F)(F)F)N=C(O)N(CCc2ccccc2)C1=O 9485766 GJSFZLWAJBAOBV-MRXNPFEDSA-N 371.359 2.406 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)Nc1c(F)cccc1F 83859352 ISRNISNBUFTDQT-NSHDSACASA-N 362.332 2.202 0 40 FEAB Cn1cc([C@@H]2CN(c3ccc(C(=O)Nc4ccccc4)nn3)CCO2)cn1 75106981 CALGQJFVGQUGMJ-KRWDZBQOSA-N 364.409 2.040 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(-n2cccn2)c1 89780883 MLEMEQKVZOEQJN-OAHLLOKOSA-N 351.385 2.415 0 40 FEAB CCc1nc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)no1 33013347 BWPKRADHSAXVAL-UHFFFAOYSA-N 351.428 2.482 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCN(C)C3)cc1 72373896 FTTWFVKNANOKQG-KRWDZBQOSA-N 369.469 2.028 0 40 FEAB CCn1c(Cl)nc2cc(C(=O)NCCCN3CCOCC3)ccc21 225988017 KDYKEVREQVSBBA-UHFFFAOYSA-N 350.850 2.162 0 40 FEAB Cn1c(CCCNC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 96232140 PJSBNNJCBDPSGJ-UHFFFAOYSA-N 364.405 2.267 0 40 FEAB O=C(c1ccoc1)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 96217484 IVOMBLVXGFPPFG-OAHLLOKOSA-N 354.366 2.488 0 40 FEAB O=C(c1ccc(Cl)s1)N1Cc2cnc(N3CCOCC3)nc2C1 238955693 XXUSUVRHTVWSHO-UHFFFAOYSA-N 350.831 2.184 0 40 FEAB O=C(COc1ccccc1)N1CCn2cnc(COc3cccnc3)c2C1 96085184 FATBTQGBFVTCQY-UHFFFAOYSA-N 364.405 2.278 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)cs1 248071405 YKKRZBHNEMOMPR-OAHLLOKOSA-N 359.451 2.437 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cnc2ccccc2c1 245227941 ZJEUUDOBFLQKBE-BVBVUKCESA-N 373.412 2.226 0 40 FEAB CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)no1 257223272 DWPMWQRPNQMYBZ-GFCCVEGCSA-N 359.430 2.072 0 40 FEAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 257327150 XAESYJVHZVEIAR-MRXNPFEDSA-N 357.414 2.201 0 40 FEAB Cc1ccsc1CN1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 253599718 TWFZSXUIHHFFII-MRXNPFEDSA-N 364.511 2.429 0 40 FEAB COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)c1cnn(C)c1 257275527 NPTXQKXMVORQJC-INIZCTEOSA-N 351.410 2.331 0 40 FEAB CC(C)(C)CC(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 253408224 XGDIPCZDUAVTBJ-KNQAVFIVSA-N 373.541 2.202 0 40 FEAB biogenic,in-vitro CO[C@@H](C)c1nc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cs1 269878675 JVAXUQOCZKJCOH-QWHCGFSZSA-N 364.475 2.064 0 40 FEAB Cc1noc([C@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)n1 590671676 REMIRQBOYLHHFO-CABZTGNLSA-N 358.427 2.229 0 40 FEAB Cc1c(NC(=O)c2cnn(C(F)F)c2)cccc1C(=O)N1CCOCC1 630808812 VDKPDYDFGIUPMN-UHFFFAOYSA-N 364.352 2.311 0 40 FEAB CC(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccco2)C1 670279391 GTRNAAFDLDIWSG-HNNXBMFYSA-N 361.446 2.243 0 40 FEAB O=S(=O)(N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1)C(F)(F)F 575403379 JUNAJIBGMKTRBQ-MRVPVSSYSA-N 372.365 2.009 0 40 FEAB O=C(CN1CCC[C@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 585277406 UEKPEBKDNPDYNR-LJQANCHMSA-N 359.401 2.065 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2cccn2)nc1 55557183 ROMKDYWHKGDVIL-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB COCCOc1ncccc1C(=O)N[C@H](c1nnc2ccccn12)C(C)C 60360060 RGNPGDXIKLQRSL-INIZCTEOSA-N 369.425 2.277 0 40 FEAB CC(C)n1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cn1 12145773 HHNWALVQALVIPL-UHFFFAOYSA-N 354.410 2.219 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1C(=O)C1CCCCC1 12182595 BIASLGXYSYFTKT-INIZCTEOSA-N 356.422 2.379 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCCCCC2)c1 13649107 QSRXBHDSQIZFHY-UHFFFAOYSA-N 353.488 2.054 0 40 FEAB COc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c(OC)c1 13693103 ZFAUDLXNUURVGI-HNNXBMFYSA-N 366.377 2.229 0 40 FEAB COc1cccc(CNC(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)c1 14035271 UGHHSKKDAYGUAV-AWEZNQCLSA-N 359.451 2.222 0 40 FEAB CC(C)Cc1cc(C(=O)Nc2ccccc2CN2CCOCC2)nc(=O)[nH]1 19447489 BVUBOQDSSKAAJW-UHFFFAOYSA-N 370.453 2.053 0 40 FEAB Cn1cc(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)cn1 19716044 SDGRTAQJZGMSSI-SFHVURJKSA-N 362.499 2.316 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(C)o1 8394484 MOXYAXSVLMLMKP-JXMROGBWSA-N 364.423 2.499 0 40 FEAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1CCC(F)(F)F 616773005 IYPHGBQBYVATPH-RRFJBIMHSA-N 353.344 2.482 0 40 FEAB CCOC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)C(F)(F)F 575625391 HWLRONIQMACESG-KGLIPLIRSA-N 374.359 2.193 0 40 FEAB O=C([C@H]1CN(c2ncccc2Br)CCO1)N1CCCCC1 1888849960 WLEIVWRVAGMQFH-CYBMUJFWSA-N 354.248 2.062 0 40 FEAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)c1 1888897355 IQZZUTBDHCINFC-IRXDYDNUSA-N 374.448 2.086 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840625 OZDADOQSXFHXCP-FQEVSTJZSA-N 351.406 2.038 0 40 FEAB CCOC(=O)C[C@H](c1ccc(F)cc1F)c1oc(CO)cc(=O)c1O 85412459 SMPGJPXBFGUWLT-GFCCVEGCSA-N 354.305 2.201 0 40 FEAB O=C(c1cn[nH]c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087138887 PRSGMTRQAOWHBA-GWCFXTLKSA-N 351.332 2.174 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565546541 GMKXPPRMLDFMND-WMLDXEAASA-N 351.454 2.136 0 40 FEAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)C1CC(F)(F)C1)CC2 1565544130 LTKBHCVGAKFHCO-UHFFFAOYSA-N 351.397 2.058 0 40 FEAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc(F)c1 5328925 ISNQJDBHDHBKQK-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848233 ASXYYSNCOQRBFS-UHFFFAOYSA-N 367.380 2.369 0 40 FEAB CCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 16839552 HTQPIESDJGXAJR-UHFFFAOYSA-N 364.858 2.399 0 40 FEAB Cc1cc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)no1 2055746318 NWVAVNJLJQVEHV-UHFFFAOYSA-N 361.471 2.165 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2cnn(C)c2)n1 40143295 IACOUKGBJFPUCS-CYBMUJFWSA-N 370.434 2.456 0 40 FEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)NC)ccc2C)C1 40133280 UFEOAUUCHWQCCJ-INIZCTEOSA-N 374.485 2.467 0 40 FEAB CN(C(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)C1CCCCC1 30587903 OGBPASGORZIODY-UHFFFAOYSA-N 351.472 2.026 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 30572792 IRPPATOXGPEIRS-UHFFFAOYSA-N 368.842 2.317 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](C(N)=O)C3)s2)c(C)c1 50843563 QCXPVOSZMFLDGS-CQSZACIVSA-N 359.451 2.062 0 40 FEAB COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 32124430 OGDMPWIUSPYXAT-SFHVURJKSA-N 372.425 2.029 0 40 FEAB biogenic COc1ccccc1[C@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@H]12)OCO3 1640572 WRLLJZYUHKBCFJ-CMKODMSKSA-N 370.357 2.464 0 40 FEAB C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 37185723 BXWDXGGGNJPHDJ-QWHCGFSZSA-N 369.387 2.444 0 40 FEAB CCCNC(=O)c1ccccc1C(=O)NC1(C(=O)NCCC)CCCC1 4896131 AKLSRUKFESLXRW-UHFFFAOYSA-N 359.470 2.395 0 40 FEAB Cc1ccc(C(=O)NCCCNC(=O)COc2ccc(C)c(C)c2)cn1 4985661 XMKIAEHJCXKTAU-UHFFFAOYSA-N 355.438 2.322 0 40 FEAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 6818296 NREXIUULGNWIGG-UHFFFAOYSA-N 354.457 2.348 0 40 FEAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)no1 8417211 OHBKEMSSSRPXOE-UHFFFAOYSA-N 363.345 2.413 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)C1 103309878 AMHOYIMMTKAESS-BFYDXBDKSA-N 357.454 2.044 0 40 FEAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NC[C@@H]1CCCO1 22790202 YBJLWLKONFZHPP-FQEVSTJZSA-N 367.493 2.253 0 40 FEAB CC(C)(C)NC(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 59349715 FPULJYROGZGLMC-UHFFFAOYSA-N 360.458 2.349 0 40 FEAB COc1ccc(-n2c(C)nnc2SCC(=O)NCc2cccnc2)cc1 22927658 PKZATRVPPFCEJA-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1=O 47224801 SYZPKICQSZPEGD-UHFFFAOYSA-N 361.398 2.243 0 40 FEAB CCOC(=O)N[C@@](Nc1ccc(Cl)cn1)(C(=O)OC)C(F)(F)F 12413578 CUOUGMNYSYLZKD-NSHDSACASA-N 355.700 2.325 0 40 FEAB O=c1cc(C2CCOCC2)nc(-c2cccc(CN3CCOCC3)c2)[nH]1 23542485 OPKBGHAUPJIYCE-UHFFFAOYSA-N 355.438 2.163 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N2CCN(CCc3ccccc3)CC2)cc1 23675135 ORYYRWZIJOFLQW-UHFFFAOYSA-N 365.477 2.112 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc(C)c1 100396262 SRQKXODYLGHJSE-QMROVXIMSA-N 350.418 2.359 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 12534502 BLCWEDURAFZJOI-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(F)c2)c(OC)c1 56122093 KMINAWMWFPJVLP-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccc(Cl)cc2C1 107334656 IHMAZBFTXPZQSB-HOCLYGCPSA-N 372.856 2.466 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20048328 BQODXDLBQBFUFE-GFCCVEGCSA-N 359.879 2.105 0 40 FEAB O=C(NCc1ccncc1)[C@H]1CCC[C@@H](C(=O)NCc2ccncc2)C1 58203367 BIIOYBOIESVCLD-HDICACEKSA-N 352.438 2.216 0 40 FEAB C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)(N(C)C)C1 58202183 UZZLSRPCZVEGNI-JXXFODFXSA-N 361.486 2.255 0 40 FEAB Cc1csc2nc(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cc(=O)n12 10537546 CQMFESWORNAURM-BMLIUANNSA-N 360.439 2.065 0 40 FEAB O=C(c1ccccc1F)N1CCN(CC(=O)N2CCc3ccccc32)CC1 58617244 CINQRAAGFWKLJM-UHFFFAOYSA-N 367.424 2.173 0 40 FEAB CCOc1cc2c(cc1CNC(=O)c1ccc(C(N)=O)cc1)O[C@@H](C)C2 12992989 GYGQNUNGXFMINB-LBPRGKRZSA-N 354.406 2.438 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 12986657 VAEIRYYESAZETE-ZDUSSCGKSA-N 365.282 2.424 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 12914837 UDOOMZOBGQBNEM-CYBMUJFWSA-N 369.421 2.235 0 40 FEAB COc1ccc(C(=O)OCCc2ccccc2)cc1S(=O)(=O)N(C)C 13000186 BBNJFXOLKBJAFD-UHFFFAOYSA-N 363.435 2.345 0 40 FEAB Cc1ccc(-n2nc(CO)c(C(=O)NCCc3ccccc3)n2)cc1C 8613571 QTSJMRVTQHLMAV-UHFFFAOYSA-N 350.422 2.349 0 40 FEAB CCc1cc2c(CN3CCN(C(=O)C4CC4)CC3)cc(=O)oc2cc1O 14093794 PNSPCHZDZKESLM-UHFFFAOYSA-N 356.422 2.115 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 14136182 SKFZSZOHXWXDTO-OAHLLOKOSA-N 351.358 2.307 0 40 FEAB Cc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2c1 14168675 WPIGBOLUNIDXJE-UHFFFAOYSA-N 358.423 2.408 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 14307193 SFBWXQINZIJWSG-ZDUSSCGKSA-N 358.442 2.075 0 40 FEAB NC(=O)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9247994 KCXRNARIKRPGHV-UHFFFAOYSA-N 371.784 2.037 0 40 FEAB O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cn2ccccc2n1 67807645 UPPFEBPDLRKAQU-KRWDZBQOSA-N 364.405 2.382 0 40 FEAB CCOCCCNC(=O)CSc1nnc(-c2ccccc2OC)n1C 9155470 RXJZXKVGDCUHQC-UHFFFAOYSA-N 364.471 2.126 0 40 FEAB COc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 27064606 LKNFPSWZGAZZRI-ZOBUZTSGSA-N 363.483 2.037 0 40 FEAB biogenic COc1cccc(CNC(=O)[C@H](Cc2ccccc2)n2nnnc2C)c1 72287764 XOXYTCHQSWXCBD-SFHVURJKSA-N 351.410 2.090 0 40 FEAB O=C1NC(=O)C2(CCC(C(=O)N(CCC(F)(F)F)C3CCC3)CC2)N1 84621386 NICPDNGQNCHCKX-UHFFFAOYSA-N 361.364 2.088 0 40 FEAB COc1c(F)cc(NC(=O)N(C)Cc2ccnc(N(C)C)n2)cc1F 95460899 BZFVBCFLKCSDSH-UHFFFAOYSA-N 351.357 2.493 0 40 FEAB O=C(NCC1(C(=O)O)CCC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 95425499 BZTKXGHMBWTHMH-UHFFFAOYSA-N 358.373 2.269 0 40 FEAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 95998061 DIFZDIQEEHWSKU-NSHDSACASA-N 364.833 2.469 0 40 FEAB CN(C)C(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306141934 WKRJVELBCRTTDA-INIZCTEOSA-N 352.442 2.193 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC(C)CC1 408702173 KPOUTJDMPQZKHM-UHFFFAOYSA-N 366.483 2.352 0 40 FEAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1ccc(O)nn1)CO2 530075075 FTPNMPNBFZFZSA-BBRMVZONSA-N 355.394 2.106 0 40 FEAB Cn1c(=O)c(/C=c2\sc3nc4ccccc4n3c2=O)cc2ccccc21 36625737 SZLKEUPTTCBNFQ-BOPFTXTBSA-N 359.410 2.309 0 40 FEAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)N1CCCC1 36351173 HUDWHPXWUZQMGB-UHFFFAOYSA-N 350.850 2.112 0 40 FEAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCNCC1 77262867 SOQNDURPZAFEEX-IRFCIJBXSA-N 371.481 2.134 0 40 FEAB biogenic,in-vitro O=C(NCCC1CCS(=O)(=O)CC1)c1ccncc1C(F)(F)F 328724435 SUIIEVHZSHPHAJ-UHFFFAOYSA-N 350.362 2.045 0 40 FEAB COc1ccc(N(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 225843148 VWTUWOULLWFBCN-UHFFFAOYSA-N 360.435 2.294 0 40 FEAB CC(C)OCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225974414 MCEDGFWVKBOTKH-UHFFFAOYSA-N 362.879 2.281 0 40 FEAB CC(C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224423344 QFONFOUBLCQHKJ-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1 223426738 YSQIHKQHGOVYDZ-UHFFFAOYSA-N 372.472 2.027 0 40 FEAB COc1ccc([C@H](CC(=O)NC2CCCCC2)NS(C)(=O)=O)cc1 225954689 RLAFLOYSVQHJNH-INIZCTEOSA-N 354.472 2.125 0 40 FEAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 223729570 GOXGUNHDPLMSAV-DLBZAZTESA-N 358.467 2.346 0 40 FEAB CN(C)c1cc(NC(=O)N2CC[C@@]3(CCNC3)C2)ncc1Br 333281704 HRWSVRUOKXTDCE-OAHLLOKOSA-N 368.279 2.127 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cccs1)C2 96238095 RORPJFJSXVQDOD-QGZVFWFLSA-N 361.492 2.373 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 96238076 WBSPIITVETVXKI-FQEVSTJZSA-N 354.429 2.144 0 40 FEAB O=C(Cc1ccc2c(c1)OCCCO2)NCCCc1nnc2ccccn12 95480343 FLNKKLXWZDCIHS-UHFFFAOYSA-N 366.421 2.182 0 40 FEAB Cc1nc(CN2CCOC[C@]3(C2)CN(Cc2ccco2)CCO3)cs1 96049804 YVWPNLVJLLFZGK-SFHVURJKSA-N 363.483 2.148 0 40 FEAB COC(=O)[C@@]1(Cc2ccc(OC)cc2)NCCc2cc(OC)c(OC)cc21 24717796 RNBAXZQEZTWZAM-NRFANRHFSA-N 371.433 2.469 0 40 FEAB biogenic CCc1cc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)no1 257205843 BAUZZAURNLILSW-UHFFFAOYSA-N 357.458 2.184 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H](c3cc4ccnn4c(N)n3)C2)c1 257201142 AGMBDYHFHIIHLI-CQSZACIVSA-N 351.410 2.340 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)Cc1ccsc1 257252889 JWNRXWZKBZSASD-MRXNPFEDSA-N 358.467 2.389 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257274602 NLUYDONAMIJAQO-QLFBSQMISA-N 352.394 2.168 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)COc1ccc(F)cc1 257269057 MOJZELLPJHRHRE-MRXNPFEDSA-N 359.401 2.163 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)C)C2)cc1 260720940 VDZGSWVSZOIPIV-AWEZNQCLSA-N 368.499 2.258 0 40 FEAB Cc1nnc(COC2CN(C(=O)[C@H](C)Oc3ccc(Cl)cc3)C2)o1 644214525 JVEZMPSYYYRMHC-JTQLQIEISA-N 351.790 2.226 0 40 FEAB CC(=O)c1ccc2c(c1)CCN(C(=O)C1(S(C)(=O)=O)CCCC1)CC2 677333995 GYRSARLDABENPK-UHFFFAOYSA-N 363.479 2.174 0 40 FEAB Cc1c([C@H]2OCC[C@@H]2C(=O)N(C)Cc2nc3ccccc3n2C)cnn1C 681806831 KHKUZWCUFZADQE-LIRRHRJNSA-N 367.453 2.351 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)N1CCCC1 585111455 AWKVRWAHARTHKF-SFHVURJKSA-N 357.433 2.385 0 40 FEAB Cc1ccc(CC(=O)N2CCCn3ncc(C(=O)NC4CC4)c3C2)cc1 585110841 NCTVMRANBICLBF-UHFFFAOYSA-N 352.438 2.059 0 40 FEAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)Nc1cc(C2CC2)[nH]n1 671468278 UZVMBSOGCHGJRO-XIKOKIGWSA-N 354.410 2.042 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1 585299971 DJPPHVHHEXUFKT-UHFFFAOYSA-N 350.444 2.221 0 40 FEAB CC[C@H](C)NC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 5676095 TYMHCEGXFWXOQX-VIFPVBQESA-N 360.805 2.157 0 40 FEAB Cc1cc(C)nc(N2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)n1 12144639 CUYUHCVJLBBWIW-UHFFFAOYSA-N 374.510 2.429 0 40 FEAB CCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2cccs2)nc1O 13407813 BDPFHXAHHVASHQ-UHFFFAOYSA-N 370.456 2.405 0 40 FEAB O=C1C[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2 15673174 KTBMZLPAVHNGPL-IRXDYDNUSA-N 370.449 2.412 0 40 FEAB biogenic,in-vitro Cn1c(Cl)cnc1CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 18958764 NHGRKJCKJIWJPV-OAHLLOKOSA-N 354.744 2.319 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 169687010 VIYGZWZQNVZGJZ-ASHKBJFXSA-N 373.714 2.164 0 40 FEAB O=C(COc1ccccc1F)NCC1CCN(C2CCOCC2)CC1 225562749 CIMPTLRDVADFSP-UHFFFAOYSA-N 350.434 2.212 0 40 FEAB COc1ccccc1[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1nccn1C 12230457 GOYXCTZIMLPCSU-KRWDZBQOSA-N 352.394 2.479 0 40 FEAB O=C([C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1)N1CCSCC1 1888853089 IKXQDXBTWYLUTA-HNNXBMFYSA-N 374.428 2.482 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(Cc3c(C)noc3C)CC2)n1 1889091570 KFQHYGVYAGKIFM-UHFFFAOYSA-N 356.474 2.312 0 40 FEAB Cc1csc2c(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)ncnc12 1889125036 DLGDQRIMXFBGAI-LLVKDONJSA-N 352.485 2.050 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)nc1 1889208400 KGRGATGOSGPMIO-INIZCTEOSA-N 362.437 2.469 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1OC 4272716 PAUFJLJKLLLCOQ-CYBMUJFWSA-N 370.409 2.334 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1nonc1N 4789196 QVZMJPPFLDEYOC-UHFFFAOYSA-N 373.442 2.278 0 40 FEAB Cc1cccc(C)c1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940657 XXLJYRYSNRHAMV-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB COc1nn(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775975545 JRJLOEISXCGARB-STQMWFEESA-N 372.473 2.326 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccc(F)cc3)C2=O)cc1 101167317 RLFFRZCLUNYEQL-CVEARBPZSA-N 354.341 2.328 0 40 FEAB Cc1nccc(O[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 575607146 APDZWVCKFSUVQP-HNNXBMFYSA-N 365.430 2.465 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2ccn(C)n2)C1 585389872 SUZVLQSHWVCUOJ-GFCCVEGCSA-N 353.419 2.136 0 40 FEAB COc1c(C)cnc(CN2CCC(C(=O)N3CCSCC3)CC2)c1C 2298045081 YYKWTZZGOHQSKX-UHFFFAOYSA-N 363.527 2.494 0 40 FEAB CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(C(=O)OC)ccc21 100825262 FUXAEIZVINSTIZ-NXVVXOECSA-N 352.437 2.216 0 40 FEAB Nc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)cc1Cl 101337969 IXUDUEIGWLCXNX-SNVBAGLBSA-N 362.282 2.210 0 40 FEAB Cc1ccc2nc(CSc3nnnn3-c3ccccc3)cc(=O)n2c1 2623297 NQFWLKPVTAAECJ-UHFFFAOYSA-N 350.407 2.271 0 40 FEAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccccc1 2657359 GJRRVAVSRWVKRZ-UHFFFAOYSA-N 350.407 2.337 0 40 FEAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 77986550 QTUWYKLIIZZJDZ-NSHDSACASA-N 352.437 2.282 0 40 FEAB CCOC(=O)c1cccc(OC[C@@H](O)Cn2ncc3ccccc3c2=O)c1 32907333 IHGUAEUQJDJCJK-INIZCTEOSA-N 368.389 2.013 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccc(Cl)s2)c1 32907881 BLSMIVDWIPOUAE-UHFFFAOYSA-N 354.815 2.008 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccc(Br)cc1 4299318 NVZDPPMWZPFZJB-MNOVXSKESA-N 360.204 2.460 0 40 FEAB COCCCNC(=S)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 4909930 DOJWKMLTTRIJFG-UHFFFAOYSA-N 368.478 2.323 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)NCCc2ccccc2)c1 6680403 IMZAODUVFQTWSL-UHFFFAOYSA-N 352.481 2.361 0 40 FEAB COc1cccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 7939809 GWCARTKXRJPWRO-UHFFFAOYSA-N 362.426 2.406 0 40 FEAB CN1CC(=O)N(CCCC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8745461 HCIZBTNLYQMETN-UHFFFAOYSA-N 358.442 2.290 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)NC(C)(C)C1=O 8395243 SJINIDGCISDREX-UHFFFAOYSA-N 353.806 2.316 0 40 FEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 57522911 OTRLHRLHFVZIRS-UHFFFAOYSA-N 357.385 2.315 0 40 FEAB CCN1C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C2CCC2)Oc2ccccc21 106764217 VGBOLMPHTSGKIB-GOEBONIOSA-N 359.470 2.037 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CNc2cccc3c2OCCO3)cc1 55894103 RHSABGHCEYCJRU-UHFFFAOYSA-N 355.394 2.210 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@@H]3[C@H]6[C@]51C)C2 104289786 KFIOKJOORAWZOI-GOZRZHLQSA-N 353.466 2.436 0 40 FEAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 57270727 MXGWVHATMDOAIY-LLVKDONJSA-N 358.467 2.153 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)cc1 108234190 HMSCNPYROSTRCC-OYRIPWCXSA-N 365.389 2.217 0 40 FEAB CNc1snc(C)c1C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 58193559 ZAIJCJHJBIXLEU-VIFPVBQESA-N 368.484 2.356 0 40 FEAB CCN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccccc1 58162582 HPZVWBRGQGBCDR-UHFFFAOYSA-N 357.439 2.092 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3)C2=O)o1 58197379 LQBJLAOZONIEED-LJQANCHMSA-N 355.394 2.014 0 40 FEAB CCn1c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)cc2ccccc21 58216259 LKHOPBSEFJSQIC-UHFFFAOYSA-N 368.481 2.134 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCCCC2)Oc2ccccc21 20035549 MTSINJSCKIJTHR-MRXNPFEDSA-N 352.456 2.053 0 40 FEAB COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc(C(=O)O)c1OC 45946259 WWVSZTAUEXNLTO-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 12858639 CKJIWRWCYXTPDH-UZLBHIALSA-N 372.396 2.341 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 3411685 GNJQTAQYUMHNGE-KZULUSFZSA-N 363.845 2.457 0 40 FEAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3613280 GFLYGCPHUUSTNU-UHFFFAOYSA-N 366.483 2.160 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4080998 YHDCULZWYFVDAB-IFXJQAMLSA-N 368.414 2.302 0 40 FEAB biogenic COc1ccc(N(C)C(=O)[C@H]2CCCN(c3ncccn3)C2)cc1OC 64321893 RGIAJCRUQMZITN-AWEZNQCLSA-N 356.426 2.373 0 40 FEAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCCC2 8777082 NTZWMJLYNJJNIF-UHFFFAOYSA-N 356.407 2.309 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccncc1 17586034 ZQBXTNHWVPXSED-UHFFFAOYSA-N 359.451 2.437 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)NCCc2ccc(OC)cc2)n1 6313729 OWKFWCAQGWYGDK-UHFFFAOYSA-N 361.467 2.182 0 40 FEAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 14138712 HGCMIOLEBHXMPK-UHFFFAOYSA-N 362.440 2.013 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccc3c(c1)CCC3)C2=O 6590716 VKCXPGMELYXJPD-UHFFFAOYSA-N 371.437 2.086 0 40 FEAB CN(C)C(=O)[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1 5505437 VABBKMONZVPCHW-OAHLLOKOSA-N 355.423 2.290 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 18147494 SGEFJHOKDYWVGI-UHFFFAOYSA-N 374.462 2.126 0 40 FEAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N1CCOCC1 8709031 FQPFQCZZNZFSOD-NSHDSACASA-N 352.847 2.260 0 40 FEAB COc1ccc(Br)cc1CNCCCSc1nnnn1C 4993807 KUZQJIOIXSCANM-UHFFFAOYSA-N 372.292 2.253 0 40 FEAB NC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 67788157 YYTYXILUNTXKJS-QGZVFWFLSA-N 366.421 2.349 0 40 FEAB Nc1nc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n[nH]1 7897231 IAJUKZSQSHXXSC-SNVBAGLBSA-N 374.495 2.495 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 16400393 LXMAIGVTPRYZKR-GOSISDBHSA-N 357.366 2.084 0 40 FEAB CCCC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(CNC(C)=O)cc2)C1=O 8188011 ARBSXVIYCWGYJO-LJQANCHMSA-N 359.426 2.006 0 40 FEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C[C@@H](C)O1 8156240 ODOFIDABCJUYLF-CHWSQXEVSA-N 352.456 2.223 0 40 FEAB CC(C)CCNC(=O)[C@@H](C)N1CCn2c(CCc3ccccc3)nnc2C1 72308577 QCZPTWWUPHNDSO-QGZVFWFLSA-N 369.513 2.430 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(OCC(N)=O)c1 19874125 UDDBIYIFZWZDJA-LJQANCHMSA-N 351.406 2.276 0 40 FEAB Cc1cc(C)c(NC(=O)CNC(=O)NCCc2c(C)nn(C)c2C)c(C)c1 84074809 ULDMLXDBSWEEBD-UHFFFAOYSA-N 371.485 2.443 0 40 FEAB CO[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 409027981 WNTMBCLHUSGFMR-FQEVSTJZSA-N 368.433 2.447 0 40 FEAB COCCC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C 548022666 BCCZYGRPVYCICV-GJZGRUSLSA-N 355.454 2.383 0 40 FEAB CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1C1CCN(Cc2ccccc2)CC1 556402250 BADBTCDZPBUSGX-UYAOXDASSA-N 369.509 2.414 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 72241557 PTDKBTOBOZIFAS-RTBURBONSA-N 372.396 2.049 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395605 RPUJNRRFWIVLKF-LPTSXCQYSA-N 357.380 2.460 0 40 FEAB COc1cc(NC(=S)N[C@H](CC(=O)O)c2ccc(F)cc2)ncn1 225219905 KAAQLKKXHDJPIJ-LLVKDONJSA-N 350.375 2.127 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cnns2)CC1 47830768 QBYRJURLEYFLCF-UHFFFAOYSA-N 370.356 2.155 0 40 FEAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225355269 SORIGBVNMDLZJV-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB CC(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1 223337941 KAVKFVQXWWTSST-UHFFFAOYSA-N 360.391 2.443 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC(c2ccccc2)=NO1 226745759 NYUNIDLZKNORPY-QRWLVFNGSA-N 355.438 2.087 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cnc2ccccc2c1 195331102 ZJEUUDOBFLQKBE-DEGRCIOYSA-N 373.412 2.226 0 40 FEAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1 225915271 DLWSQWMTSMCZBD-UHFFFAOYSA-N 351.399 2.356 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1=CCCCC1 225099532 GSGPWJINNIZPLY-AWEZNQCLSA-N 366.483 2.466 0 40 FEAB CC(C)c1cc(NC(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)n(-c2ncccn2)n1 333389028 LRNYKQOAHLMZDR-ZNMIVQPWSA-N 370.457 2.410 0 40 FEAB CC(=O)N1CC2(CCN(Cc3ccsc3)CC2)[C@@]2(CCN(C)C2=O)C1 97952876 GELWLSTVCHPDJW-IBGZPJMESA-N 361.511 2.041 0 40 FEAB O=C(Nc1nc2n(n1)CCCC2)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 333746921 YXMCHMGLAMFKCT-BRWVUGGUSA-N 367.453 2.651 0 40 FEAB COc1ccc(N2CCC(C(=O)NCCc3ccccc3OC)CC2)nn1 95473156 ZSMGSFIZWYCNBC-UHFFFAOYSA-N 370.453 2.069 0 40 FEAB O=C(c1ccncc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96061696 KHLOGVYUSQOEBV-UXHICEINSA-N 351.450 2.240 0 40 FEAB CC(C)Nc1nc(N2CCOCC2)nc2c1CN(Cc1ccoc1)CC2 96254274 NWHHUBGWYBJXCE-UHFFFAOYSA-N 357.458 2.285 0 40 FEAB O=C(c1ccc(F)cc1)N1CCn2nnc(COCc3cccnc3)c2C1 96256041 BDZSQFKZDAVPQV-UHFFFAOYSA-N 367.384 2.185 0 40 FEAB CC(C)Cn1c([C@@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 583652729 HWBSNNKWHGNGCQ-KRWDZBQOSA-N 367.457 2.433 0 40 FEAB CNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96052602 UHVGWXDLMLSVFN-AWEZNQCLSA-N 362.495 2.136 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237887 JYXNDDAHZXIPHI-FQEVSTJZSA-N 371.412 2.290 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(c2ncc(F)cn2)C3)cs1 248075272 ZPCHHQAKGBAGJM-CQSZACIVSA-N 350.419 2.335 0 40 FEAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247799571 FEIRGXCUOQWQQW-FJIDUMEYSA-N 362.360 2.181 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(Cc3ccnn3C)C2)n1 257324382 WOLWUQJNFKUUFC-HNNXBMFYSA-N 364.457 2.432 0 40 FEAB NCc1cnn(-c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1 257335889 YMHRWGKSLOFJOY-UHFFFAOYSA-N 361.449 2.293 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cc(CN(C)C)cn2)n1 257205226 AYDIEFMBSBJDNW-UHFFFAOYSA-N 366.469 2.177 0 40 FEAB O=C(NCCCO)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 269191556 WTDGFXMCDRGJIF-UHFFFAOYSA-N 359.253 2.344 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CC(OCc3nnc(C(C)C)o3)C2)n1 606445839 WLLNYEOZCDEAAX-AWEZNQCLSA-N 361.446 2.385 0 40 FEAB CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cccc(OCC(=O)O)c1)C2 630231097 VZOOWUZCWLAVLA-UHFFFAOYSA-N 369.421 2.436 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@H](C)O3)cc1-n1cccc1 1615591925 PESATHDGGSHUPA-HNNXBMFYSA-N 353.422 2.253 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn(Cc3ccccc3)c2)C1 644117592 GMVHXSHWWGVYNV-SJORKVTESA-N 351.410 2.257 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc(N3CCCC3=O)c2)C1 644117486 BKITZUBXPLWIDJ-CVEARBPZSA-N 354.410 2.139 0 40 FEAB CO[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1c1cnn[nH]1 668577044 PRKFMPQDGPZGEE-DOTOQJQBSA-N 352.398 2.001 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)C/C=C/c2ccccc2F)C3)o1 685941353 QLEXDIQXXVSQNK-ZIPBJVRUSA-N 357.385 2.347 0 40 FEAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(Cl)cc1 56230122 HYCOJZWXAZNBFE-SECBINFHSA-N 366.878 2.434 0 40 FEAB CO[C@]1(CNS(=O)(=O)c2ccc(Br)s2)CCSC1 96097703 ANVCKZRCJGELIM-JTQLQIEISA-N 372.331 2.311 0 40 FEAB C[C@@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@@H]2CC[C@@]3(O)C(=O)C=O)[C@@]2(C)C=CC(=O)C=C12 96031373 QZZDSEJBNWOIRY-GZGNKKLZSA-N 372.461 2.010 0 40 FEAB in-vitro Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(c3ccccc3F)CC2)c(=O)c1 548720907 LNDNLBNIAZUQQG-OAQYLSRUSA-N 372.440 2.453 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)no1 1615119669 IRFVVLQTZNSSAI-IBGZPJMESA-N 373.384 2.160 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 12114571 PRDGNQMJFHRNEA-BXVXDWSXSA-N 360.502 2.026 0 40 FEAB O=C(Cc1ccccc1F)NCCn1nc(-c2cccs2)ccc1=O 12158190 RLBWWSBXNOGHCG-UHFFFAOYSA-N 357.410 2.470 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(c3nn(C)c4nccnc34)CC2)cc1 12228535 SXNOUJDORQBDOW-UHFFFAOYSA-N 371.466 2.240 0 40 FEAB Cc1ncsc1C(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 12326072 FWDFCIBEGXWMHS-UHFFFAOYSA-N 363.458 2.304 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12407206 URTMNQSAQXPAHC-KRWDZBQOSA-N 366.400 2.108 0 40 FEAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 12420715 SWXDBTGADHLOAH-UHFFFAOYSA-N 355.419 2.340 0 40 FEAB biogenic,in-vitro C[C@H](OC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCOCC1 12825701 JUPYBBQCUPBDHP-NTYUQYKDSA-N 368.227 2.253 0 40 FEAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1(C)C 14246236 AAFZBCPFVZMSQO-HZPDHXFCSA-N 350.484 2.231 0 40 FEAB CNc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2 19711502 ZNQOLIOWPMWFCZ-OAHLLOKOSA-N 357.502 2.450 0 40 FEAB CSc1nc(C(F)F)cc(N2CCN(c3ncncc3F)CC2)n1 1888856842 LDZLYHKGMQUIGA-UHFFFAOYSA-N 356.377 2.392 0 40 FEAB Cc1nc(N2CCN(c3ncnc4c3ncn4C)CC2)cc(C(C)(C)C)n1 1888869572 YVJZIRMNTSMGSW-UHFFFAOYSA-N 366.473 2.086 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4ncncc4F)CC3)cnc2c1 1889160467 WZXDGVXSBYDAIC-UHFFFAOYSA-N 369.400 2.251 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCC1(N2CCOCC2)CCSCC1 1776008381 FMSHJCLWBJMQOI-MRXNPFEDSA-N 364.511 2.168 0 40 FEAB CC(C)N1C[C@]2(CCN(C(=O)c3cccc(Cl)c3)C2)COCC1=O 2037985325 FUEVSQQSYPSAHL-GOSISDBHSA-N 350.846 2.440 0 40 FEAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)CO1 1565553261 QRYIUNRBKRUGFH-VQIMIIECSA-N 363.502 2.450 0 40 FEAB O=C(Nc1nnc(-c2ccncc2)o1)c1cccc(N2C(=O)CCC2=O)c1 4265062 FLZKCKYGFIVBBN-UHFFFAOYSA-N 363.333 2.037 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCCCC1 4327965 BMUNYMZYVOUGNY-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccsc1 8896253 UOYCPDPRXLSFHC-CQSZACIVSA-N 368.480 2.101 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2occc2C)CC1 2055750648 MJDUDDCMGJOOOA-UHFFFAOYSA-N 371.437 2.430 0 40 FEAB O=C(C1=CCCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772812 HUHOJPYQQFUXQZ-UHFFFAOYSA-N 356.470 2.227 0 40 FEAB CSc1cccc(NC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575607504 OCAJCBIQOCIDGV-UHFFFAOYSA-N 361.475 2.047 0 40 FEAB CCCNC(=O)CCNC(=O)NCc1cc(F)ccc1Br 50168638 KMBJFEDQXBHKNY-UHFFFAOYSA-N 360.227 2.304 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 40151040 XKTHWVYORGFHHG-LLVKDONJSA-N 350.469 2.410 0 40 FEAB CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 32350451 MOCQAQLWVNIAAQ-MAUKXSAKSA-N 362.433 2.441 0 40 FEAB O=C(NC1=NCCS1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2620795 TWRBEOVSETYJJL-AWEZNQCLSA-N 355.419 2.066 0 40 FEAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1ncncc1Cl 79019303 PGSFAYYYKKXOMV-UHFFFAOYSA-N 360.801 2.384 0 40 FEAB CCn1ncc(CN(C)C(=O)Cn2ncc(Br)c2C)c1C 2776959 PLLPJPVRDNIYLO-UHFFFAOYSA-N 354.252 2.137 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 4980061 VBZKTKSXUUPPES-QGZVFWFLSA-N 374.418 2.151 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)cc2OC)cc1 7704767 YGQZTCNSLXBSDL-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213847 YANRWBSULLZYRN-CLWJZODNSA-N 368.518 2.353 0 40 FEAB Cc1nncn1-c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 97162798 VNOQQVPWHRRZIW-UHFFFAOYSA-N 372.406 2.148 0 40 FEAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2cccs2)CC1 22365632 YFYLMQWYTLBUHO-UHFFFAOYSA-N 362.499 2.078 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 47903188 UQJJPRJTQJTUSU-INIZCTEOSA-N 362.382 2.361 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCc1cccc(N2CCCCC2=O)c1 55662496 VDYQLGNCRBPDSA-UHFFFAOYSA-N 354.454 2.413 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)s1 1466197 VDOBKDBMCZPSNS-JTQLQIEISA-N 358.423 2.360 0 40 FEAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NCC(=O)NCC(F)(F)F 55860129 XRQYTASSWMMETF-UHFFFAOYSA-N 371.281 2.378 0 40 FEAB COc1cccc(CNC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccco2)C3)c1 100128483 RJWGNSIQYUNLCM-IRXDYDNUSA-N 370.449 2.419 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccsc1 25329508 NBROCUOOUPGIKV-OAHLLOKOSA-N 352.481 2.184 0 40 FEAB CCOc1ccccc1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 25991878 KCBXSINFCSEIFU-UHFFFAOYSA-N 359.426 2.304 0 40 FEAB O=C(CCN1CCO[C@H](c2cccc(Br)c2)C1)NC1CC1 58246527 UKSPJDJUCBXYAM-HNNXBMFYSA-N 353.260 2.491 0 40 FEAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 22540073 WVWKPNCIILOWKO-JKSUJKDBSA-N 352.500 2.461 0 40 FEAB COc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1cccs1 3361335 VFFCAJDNQCZCMR-UHFFFAOYSA-N 368.480 2.477 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 36391770 HTTKGDOTNYKQBN-UHFFFAOYSA-N 351.450 2.103 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 10837882 GHLLNTNLTIIICN-SECBINFHSA-N 369.443 2.042 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC(C)C)c1ccc(C)cc12 2395832 NZNADKCCLLBTGZ-GOSISDBHSA-N 374.466 2.153 0 40 FEAB COCCCN1C[C@H](C(=O)Nc2cccc(Br)c2)CC1=O 58965478 OUXGKCNMAWSZIP-LLVKDONJSA-N 355.232 2.273 0 40 FEAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(C(=O)NCCO)nc4c23)C1 2442217 BCAOFZPPUFNAIH-SNVBAGLBSA-N 373.482 2.212 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 11448938 SUCVCAKJQJALAO-VIFPVBQESA-N 365.480 2.476 0 40 FEAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C(=O)Nc2cc(C)on2)cc1 45877497 LXNSNGAUBVLVLF-OAHLLOKOSA-N 373.409 2.429 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)o1 12927372 LTNIEIFFCMLBAJ-UHFFFAOYSA-N 354.815 2.386 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)c1 13195817 HRBNNPYTUUXJCT-CQSZACIVSA-N 365.407 2.198 0 40 FEAB O=C(O)Cc1csc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 13407166 XYAAJWAVYRSCGL-UHFFFAOYSA-N 359.407 2.078 0 40 FEAB O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc3c(c2)COC3)CC1 64656058 WYNMXDPCZBLSMF-UHFFFAOYSA-N 352.390 2.021 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nncn1C1CC1 39539963 ZMQPFJUTHWOSPD-CYBMUJFWSA-N 373.482 2.465 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1C 5212112 NJASBFUWSOVPKJ-GFCCVEGCSA-N 358.394 2.452 0 40 FEAB COC(=O)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1 5274704 MJTVBZTYQRRTCB-HNNXBMFYSA-N 357.435 2.377 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5517831 CQOFURNXGBDPKW-CQSZACIVSA-N 370.236 2.480 0 40 FEAB Cc1cc2c(cc1C)[n+](C)cn2C[C@H](O)COc1ccccc1C(=O)O 26770603 VGGYYSFUMBFARA-HNNXBMFYSA-O 355.414 2.221 0 40 FEAB CC(=O)c1cc(C(C)=O)cc(S(=O)(=O)Nc2cccc3c2CC(=O)N3)c1 28249614 AZJMRJIKYAWXRJ-UHFFFAOYSA-N 372.402 2.387 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2cc(C)nc3c2c(C)nn3C)n1 14814711 FLORZBATQINNNC-UHFFFAOYSA-N 373.438 2.400 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1OC 4844504 BVMVCRGJMUXOTH-ZDUSSCGKSA-N 366.439 2.068 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c(C)c1F 97084075 MWZFGQKMPHTBCK-CQSZACIVSA-N 366.414 2.380 0 40 FEAB O=S(=O)(NCCNCc1ccnc2[nH]ccc12)c1cccc(Cl)c1 95462205 NXRADPNIGZYHKT-UHFFFAOYSA-N 364.858 2.284 0 40 FEAB COc1ccc([C@@H](O)CNC(=O)Nc2ccnn2Cc2ccccn2)cc1 95446403 KEZVTXHZBKIMDM-KRWDZBQOSA-N 367.409 2.190 0 40 FEAB COc1ccc(-c2nc(CN3CCN(Cc4noc(C)n4)CC3)co2)cc1 95959676 GPLDPKWAFPUQKY-UHFFFAOYSA-N 369.425 2.359 0 40 FEAB O[C@H](COCc1ccccc1F)Cn1cnc2c(N3CCCC3)ncnc21 89814014 HUULTNNZSZQMJX-HNNXBMFYSA-N 371.416 2.143 0 40 FEAB C[C@@H](c1ccccc1F)N1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 89909718 RWJAIAVZYAQHBG-HNAYVOBHSA-N 371.460 2.043 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 89904971 XNXSHPKKCTUHII-GDBMZVCRSA-N 350.426 2.246 0 40 FEAB Cn1cc(C2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)CC2)cn1 548093544 IWFVSLOKSLAEES-INIZCTEOSA-N 358.486 2.307 0 40 FEAB COCCOc1cc(-c2noc([C@@H]3CCCN3c3ncccn3)n2)ccn1 35425925 NQCYEKDNGYDVJF-AWEZNQCLSA-N 368.397 2.288 0 40 FEAB biogenic,in-vitro CC1(C)CC(=O)C([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)C(=O)C1 31772135 UAOPEVVASXATSF-IBGZPJMESA-N 359.422 2.363 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CO)cc1 218486215 PMOJBOQRGQXDHQ-IKGGRYGDSA-N 351.855 2.278 0 40 FEAB Cc1ccc(CN(C)C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38772431 GFYOHCFLADZRBH-SFHVURJKSA-N 374.462 2.181 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2nncn2C)CC1=O 120984583 HZFZSESTZGUCQF-DOTOQJQBSA-N 367.453 2.094 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC 45202992 NPIZTMCLQJGGDI-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96238110 VNXFWRHTVBSBLS-IBGZPJMESA-N 373.453 2.451 0 40 FEAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1O 95478369 AMGFBXXOYLTEDL-GFCCVEGCSA-N 359.382 2.366 0 40 FEAB COc1cccc(S(=O)(=O)N2CCc3ncnc(C4CC4)c3CC2)c1 96255146 QXVXSTPZYHGFLE-UHFFFAOYSA-N 359.451 2.152 0 40 FEAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 96056954 ANLKBCPSDAQKCA-SJLPKXTDSA-N 352.500 2.224 0 40 FEAB Cc1ccccc1CN1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 248131512 AVMQYNLVICGVBH-LJQANCHMSA-N 358.482 2.367 0 40 FEAB Cn1cc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1 257278426 OCFOEWJQVHIZJH-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB O=C(O)c1ccccc1CN1CCOC[C@H](Cc2ccc3nccn3n2)C1 257310787 UGOUKIXMHCZXOF-OAHLLOKOSA-N 366.421 2.119 0 40 FEAB C[C@H](C(=O)OCC(=O)OCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 251974355 DADYGFHPIDQHAY-ZDUSSCGKSA-N 370.357 2.192 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1ccccc1C 257275953 NRRWTVYIWQFLBN-MJGOQNOKSA-N 354.454 2.226 0 40 FEAB O=C(NCc1ccc2occc2c1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 666788887 BLDQZKRDOAKXAT-AWEZNQCLSA-N 374.422 2.311 0 40 FEAB CC(=O)N1C[C@]2(C[C@@H](O)[C@H](N3CCc4ccccc4CC3)C2)[C@H]1C(C)C 1775956867 XMMLRSAECHCBGQ-YSFYHYPLSA-N 356.510 2.484 0 40 FEAB COc1ccc(CNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36596785 NQSZCRUPNDLGAV-QGZVFWFLSA-N 367.405 2.492 0 40 FEAB biogenic Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 611681973 HUOIFQIVLQLTER-MLGOLLRUSA-N 357.389 2.220 0 40 FEAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(N(C)C)n1 612992169 ASURXCKRRPWEMW-NVXWUHKLSA-N 357.458 2.148 0 40 FEAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 575425928 JEYLCEPRAYVZLT-MRXNPFEDSA-N 365.476 2.065 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](O)C2)C3)c1 585105137 ZEHCNKDCUHXQEF-PMACEKPBSA-N 372.509 2.463 0 40 FEAB Brc1ccc2[nH]ccc(=NCc3nnnn3CC3CC3)c2c1 546732649 NGPZCBDUXLQBGT-UHFFFAOYSA-N 359.231 2.428 0 40 FEAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)nn1 585234696 AVAPXPDPDDVHBO-CQSZACIVSA-N 374.466 2.044 0 40 FEAB Cc1noc(C)c1-c1nc(N2CCC(O)CC2)ncc1-c1cnccn1 12155788 XAXYNLSDIPPJBA-UHFFFAOYSA-N 352.398 2.167 0 40 FEAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](Sc3ccccc3)[C@H]2O)cc1 12483309 HXFQMKDMZWZBTJ-OUUBHVDSSA-N 373.474 2.430 0 40 FEAB biogenic,in-vitro COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)cc1 13942858 FIEGWROUEMSNIZ-RIYZIHGNSA-N 368.345 2.153 0 40 FEAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cn(C(F)F)nc3C)ccc21 19583396 UVSHKQIGWAMYPR-UHFFFAOYSA-N 370.381 2.296 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888834343 KYQBWQJPYSXOBP-AGIUHOORSA-N 355.360 2.032 0 40 FEAB O=C(c1ccncc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007950 ONAQMTMIFJYYJI-UHFFFAOYSA-N 368.290 2.124 0 40 FEAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1565548376 YGNQBORUNRDQAL-AWEZNQCLSA-N 361.442 2.088 0 40 FEAB CC(C)CN1C(=O)N[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O 2264802 SPXRFFXFQGXURS-AWEZNQCLSA-N 361.295 2.022 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940774 QUNYRYNEIYOZAI-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9828265 LSVXHPUZJPTNKN-UHFFFAOYSA-N 359.407 2.331 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnsn3)C2)cc1C 618256744 MDPDIPOIEITDEO-LBPRGKRZSA-N 369.468 2.087 0 40 FEAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc(F)cc2C)cc1 75155571 SRHRDMZYJBNFKM-SFHVURJKSA-N 367.442 2.415 0 40 FEAB Cc1cccc(S(=O)(=O)NCCNc2cc(-n3cccc3)nc(C)n2)c1 90607847 OEGWRBRQJQYYPN-UHFFFAOYSA-N 371.466 2.275 0 40 FEAB O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 40107955 XKTUPNVEMWKVJA-RBUKOAKNSA-N 370.493 2.495 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CCO1 50853145 LTOVNICUHVZIAV-IPYPFGDCSA-N 371.462 2.059 0 40 FEAB COc1cc2c(cc1NC(=O)N1CCO[C@H](C(N)=O)C1)oc1ccccc12 51237197 OUNFQMHKOPZVIK-KRWDZBQOSA-N 369.377 2.313 0 40 FEAB COc1ccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 101357630 OQJOKWUSXSJMEZ-ROUUACIJSA-N 370.449 2.085 0 40 FEAB CNC(=O)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 32768633 RYWMRDWDBYSZHQ-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCc1nc2ccccc2s1 2625380 KABMFGKZXJSIHJ-NSHDSACASA-N 363.439 2.396 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccn(Cc2ccccc2F)n1 2791753 HWFVIGCUVJMZPY-UHFFFAOYSA-N 350.375 2.476 0 40 FEAB COCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4604662 AQYRGXCOSWGKLD-GOSISDBHSA-N 356.422 2.287 0 40 FEAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N(C)c1ccccc1 6385723 LBBFOJJUUPUYJJ-CYBMUJFWSA-N 365.389 2.060 0 40 FEAB COc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)cc(OC)c1Br 7269523 PLJSMMPXPYHSJJ-MRVPVSSYSA-N 372.215 2.290 0 40 FEAB CCn1nnc2cc(C(=O)OCC(=O)N(C)Cc3ccsc3)ccc21 7290562 KDVVHHJXYBFIJE-UHFFFAOYSA-N 358.423 2.328 0 40 FEAB CCOc1ccc(CNCCCSc2nnnn2C)cc1OCC 7541516 AUAYLJNAIXWNOU-UHFFFAOYSA-N 351.476 2.280 0 40 FEAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nn1C 8635454 RPAIOPKLJVQKAF-BBWFWOEESA-N 360.502 2.018 0 40 FEAB biogenic,in-vitro Cc1noc(C)c1CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 47091637 WUQDVFLRTCLPAJ-UHFFFAOYSA-N 355.438 2.113 0 40 FEAB CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958403 MKOKYSPXBYNZJO-WPRPVWTQSA-N 352.412 2.456 0 40 FEAB O=C(NOCc1ccccc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 25286959 CRURZDPZHKYCQS-SJORKVTESA-N 374.437 2.216 0 40 FEAB COc1ccccc1N1CCN(C[C@H](O)COCc2cccs2)CC1 25330372 UERWNQFOMHNDAG-INIZCTEOSA-N 362.495 2.456 0 40 FEAB O=C1COc2ccc(S(=O)(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)cc2N1 107337536 JPHOWRUZKPWRAN-AVGNSLFASA-N 350.440 2.122 0 40 FEAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 35269282 WOOUKBZUGNQZHL-UHFFFAOYSA-N 352.866 2.358 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 57066379 ZHNOAYNVTCYJLB-MRXNPFEDSA-N 363.477 2.079 0 40 FEAB Cc1cc2nc(SCC(=O)N3CCc4ccccc43)n(C)c(=O)c2[nH]1 57521605 PNCURUPDBLUFCY-UHFFFAOYSA-N 354.435 2.251 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 12647795 QIILWQBHXOXGRI-UHFFFAOYSA-N 371.416 2.234 0 40 FEAB O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1CCCO1 58192668 LJSPPZIENVKAFN-HZPDHXFCSA-N 372.387 2.374 0 40 FEAB O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl 58278214 VZLIAUBMILARRG-NSHDSACASA-N 367.760 2.378 0 40 FEAB CC(=O)NCC1CCN(C(=O)c2ccc(Br)cc2O)CC1 58209275 YYOUZNPOSZXNSV-UHFFFAOYSA-N 355.232 2.143 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(C(=O)NC(C)C)CC1 58223089 GNBGHWKMLDOULR-UHFFFAOYSA-N 355.438 2.422 0 40 FEAB Cc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c2nc3n(c2n1)CCCCC3 58417474 BKJUMSZATIINRY-ZDUSSCGKSA-N 371.485 2.499 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)CCc2ccc(OC)c(OC)c2)C1 48332956 XEVRZALSBLCBRB-HNNXBMFYSA-N 364.442 2.374 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)Nc1cnn(CC(=O)NC2CC2)c1 48356042 FCJOJIQLPQFPEY-UHFFFAOYSA-N 351.410 2.214 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NCc1cccs1 3450321 VZEYUOXRZAGYSQ-UHFFFAOYSA-N 354.815 2.466 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)no1 12948418 PGBFFNBAJPXABW-SKDRFNHKSA-N 361.329 2.118 0 40 FEAB COCCCNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 8704631 PKLVOEIMKDLEEN-UHFFFAOYSA-N 357.435 2.278 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 13136770 CXRSFBQIKMGEJL-KBPBESRZSA-N 371.437 2.188 0 40 FEAB CN1CCN(Cc2ccc(NC(=O)Cc3ccccc3C(=O)O)cc2)CC1 71286952 UOHGNLHSJKPTMB-UHFFFAOYSA-N 367.449 2.313 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2Cl)cc1 9190067 ORTULDDTXYEBRX-UHFFFAOYSA-N 353.831 2.303 0 40 FEAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1C1CC1 6842796 FVSDSUJLWQXQAN-HNNXBMFYSA-N 358.467 2.385 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c2nc3n(c2n1)CCCCC3 24998422 AORPAUGYZGKIIE-UHFFFAOYSA-N 370.453 2.445 0 40 FEAB CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2cc(C)on2)nc1N 16117445 LFBODEREPOIQIR-JTQLQIEISA-N 365.415 2.041 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2c(c1)OCCCO2 7990858 NVKMKJMESPNKCN-UHFFFAOYSA-N 373.409 2.041 0 40 FEAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 306134997 OEAYQDPWOIWVGO-XLIONFOSSA-N 357.454 2.120 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3nc(C)cc(C)n23)c1C 9451461 IVCFZEYFCHQOEH-UHFFFAOYSA-N 373.438 2.448 0 40 FEAB NC(=O)CSc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 84585513 WJORYGZKQMPTEH-UHFFFAOYSA-N 367.430 2.218 0 40 FEAB CN(Cc1ccncc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 95999920 VASVGBUMEMYCFQ-GOSISDBHSA-N 373.478 2.148 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2-n2cnnn2)c1 39981692 KYEKNCZIXYWNOI-LBPRGKRZSA-N 353.382 2.171 0 40 FEAB CCn1c(SCC(=O)N(C)C)nnc1-c1ccc(OC)c(OC)c1 35291578 IWIHHUYMAHNIJC-UHFFFAOYSA-N 350.444 2.163 0 40 FEAB Cn1cccc1CNC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524208 BBYILUVAJIXJLS-UHFFFAOYSA-N 367.449 2.237 0 40 FEAB Cc1ccn(-c2ccc(NCc3cnc(N4CCN(C)CC4)nc3)cc2)n1 561288375 HSWQVGZAHMSRTC-UHFFFAOYSA-N 363.469 2.335 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 222755543 LXNHJPGHSYHILC-AWEZNQCLSA-N 374.462 2.294 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 48332284 HGIMMPBGOKDEFT-UHFFFAOYSA-N 353.371 2.487 0 40 FEAB CO[C@H](CS(=O)(=O)N1CCC[C@H](CC(=O)O)C1)c1ccc(F)cc1 530137037 BKDFRNZGEKTUPD-IUODEOHRSA-N 359.419 2.030 0 40 FEAB CN(C)c1ccnc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 224195220 UYAPKGSZRXVJPM-UHFFFAOYSA-N 361.254 2.328 0 40 FEAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccccc4n3)CCO2)C1 96076586 GIJMLZBQPJWZPW-NRFANRHFSA-N 369.465 2.187 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc12 96242311 HPDUKZUMPODSEJ-AWEZNQCLSA-N 362.495 2.136 0 40 FEAB O=C(NCc1cccnc1)c1nc2c(s1)CCCN2c1ncccn1 96264649 YFBVTDNXWPMWRT-UHFFFAOYSA-N 352.423 2.342 0 40 FEAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1cccnc1)CC2 96260413 HKWYQLJUIWTUMN-UHFFFAOYSA-N 353.470 2.257 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)c3cccnc3)C[C@H]1CN(C(C)C)C2 96055914 QTQSGIKOMBXGJH-PXNSSMCTSA-N 359.470 2.207 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C12CC2 245232383 UTCYAHAQXRHCRL-JXQPMXLWSA-N 366.461 2.431 0 40 FEAB CC(C)NC(=O)OC1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 585083422 OPEYLEBNPSCMED-UHFFFAOYSA-N 362.817 2.485 0 40 FEAB O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2ccccn2)CC1 252528081 FAAHPUFFAFTLQQ-HNNXBMFYSA-N 370.478 2.323 0 40 FEAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1cccc2c1OCCO2 257307214 SXRLHLLWYZAFKP-ZDUSSCGKSA-N 355.394 2.072 0 40 FEAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)CCCn2cccn2)C1 257317728 VKXBYJKWKIVPHP-INIZCTEOSA-N 356.474 2.001 0 40 FEAB COc1ccnc(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)c1OC 646057996 VOQNLWLKSQEJRV-MRXNPFEDSA-N 355.438 2.237 0 40 FEAB COCC1(NC(=O)c2cc(Br)cc(C(=O)O)c2)CCOCC1 668296749 XFZHROURZQUVKJ-UHFFFAOYSA-N 372.215 2.073 0 40 FEAB CO[C@@H](C)CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2cnc[nH]2)cc1 1775986895 PFLBQPJBCLCFAZ-AWEZNQCLSA-N 358.442 2.032 0 40 FEAB CN1C(=O)CC[C@H](C(=O)N2CCc3cccc(F)c32)[C@H]1c1nccn1C 1775959500 CBGCSMNYKSXFNC-GUYCJALGSA-N 356.401 2.058 0 40 FEAB COc1cccc([C@H](NS(=O)(=O)c2cnc(C3CC3)s2)C(=O)O)c1 585098028 GZAWCGRDDSTJDR-ZDUSSCGKSA-N 368.436 2.133 0 40 FEAB Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4cccnc4)[C@@H]3C2)c(C(F)F)n1 585107678 QTQQBSFUXHEORP-DZGCQCFKSA-N 361.396 2.099 0 40 FEAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cccc(C(F)(F)F)c1 585277596 IYQJZQXKVHZQPY-INIZCTEOSA-N 358.360 2.463 0 40 FEAB COc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccc(F)cc3)C2)cc1 585271437 GPUYLPXHABZBBV-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB COc1ccc(OC)c(CCNC(=O)c2cnn(C)c2Br)c1 96012350 VTYQDJUGCDEHTF-UHFFFAOYSA-N 368.231 2.172 0 40 FEAB CCCc1ncc(C(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)s1 1615545532 ANLXTIDUPBYJKK-UHFFFAOYSA-N 365.499 2.339 0 40 FEAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NC1CC1 5797118 ZSYZPMCSRHZGFH-MRVPVSSYSA-N 373.360 2.320 0 40 FEAB CN1CCN(C(=O)[C@@]23CC=CCN(Cc4ccccn4)[C@@H]2CCC3)CC1 12135536 MLFBURSSQGKEJQ-TZIWHRDSSA-N 354.498 2.156 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N3CCCN=C3c3ccccc32)cn1 12142828 KSMGTJZSYRIXQV-UHFFFAOYSA-N 365.393 2.121 0 40 FEAB COc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1CO 12228321 JWRDMBZJOWSIBE-UHFFFAOYSA-N 353.426 2.233 0 40 FEAB O=S1(=O)C=C[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 14139018 JZTOLIAGMGKJQJ-OAHLLOKOSA-N 355.481 2.323 0 40 FEAB CC1=CC(=O)N2C(=NC(NCc3ccccn3)=N[C@H]2c2ccc(C)cc2)N1 14607546 GCZJFQNYLCMDNL-GOSISDBHSA-N 360.421 2.240 0 40 FEAB c1cc(CN2CCC(CCN3CCOCC3)CC2)nc(N2CCCC2)n1 19404029 PKTHMZZAPDCNNO-UHFFFAOYSA-N 359.518 2.011 0 40 FEAB O=C(CCN1CCOCC1)N[C@@H](Cc1ccsc1)c1nccs1 19406485 RCQOEHIWRYEFKV-AWEZNQCLSA-N 351.497 2.327 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCS[C@H](c2ccccc2Cl)CC1 206993725 SDBBMTKNFKZQCI-AWEZNQCLSA-N 366.870 2.496 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c(C)o1 252494759 ODRLSPGWODTCLP-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@]3(CCCN(Cc4ccnn4C)C3)C2)cn1 2056224308 WEEJFGBVQKJILY-FQEVSTJZSA-N 368.485 2.037 0 40 FEAB CC(C)CN1C[C@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 1614946510 HUSIYAMMYILALU-FQEVSTJZSA-N 354.454 2.341 0 40 FEAB O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 2461669 RXJHDPTVDHHRNC-UHFFFAOYSA-N 372.402 2.352 0 40 FEAB Cc1ccc(CNC(=O)CSc2nc(=O)n3ccc(C)cc3n2)cc1 4503891 BKVCHICPGDWNQI-UHFFFAOYSA-N 354.435 2.115 0 40 FEAB CCCCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3)c2n1 5271216 RGLDBGADKKGMGD-UHFFFAOYSA-N 369.425 2.339 0 40 FEAB O=C1c2ccccc2C(=O)N1Cc1nnnn1-c1cccc(C(F)(F)F)c1 12377223 YRVHUVMBSRQHCS-UHFFFAOYSA-N 373.294 2.477 0 40 FEAB CSc1ncccc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714579 XFJDSXWNXURVSB-UHFFFAOYSA-N 371.462 2.457 0 40 FEAB COc1c(C)cnc(CNC(=O)c2ccc(N3CCOCC3)cc2)c1C 50447780 MJNASBHGGBPTKA-UHFFFAOYSA-N 355.438 2.474 0 40 FEAB CCOC(=O)C1CCN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CC1 21325728 YJYHTQGMIPSAFI-CQSZACIVSA-N 352.456 2.117 0 40 FEAB CCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)NC(N)=O)c1CC 2640253 YPVXLGQPWAJZSX-NSHDSACASA-N 357.410 2.490 0 40 FEAB Cc1cc(C)c(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c(Cl)c1 32859752 SQADWRJFFAQGOA-UHFFFAOYSA-N 361.829 2.473 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 1761390 QIPCYCBWKGPECJ-HUUCEWRRSA-N 370.515 2.313 0 40 FEAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1F 78681571 WOSFOJROENYXIM-IUCAKERBSA-N 366.252 2.482 0 40 FEAB O=C1CCCN1C[C@@H](O)CNC(=O)C1(c2cccs2)CCCCC1 79095158 LLBXVFUPKQPYHH-AWEZNQCLSA-N 350.484 2.050 0 40 FEAB O=C(COc1ccccc1)NCc1nnc2ccc(C(F)(F)F)cn12 21740023 CFBZALAAFNFYGN-UHFFFAOYSA-N 350.300 2.443 0 40 FEAB Cn1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 2917051 IASUJJYENVWZQP-UHFFFAOYSA-N 350.353 2.255 0 40 FEAB COC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 53140257 ZMBMMCGCJLAVBI-UHFFFAOYSA-N 351.756 2.439 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCOCC1)c1ccccc12 101431122 ZHBITYRHMWXKEU-KRWDZBQOSA-N 356.466 2.303 0 40 FEAB COc1ccc(CCNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 9993512 NXKMPJLGZIMHIU-AWEZNQCLSA-N 356.422 2.240 0 40 FEAB CC(=O)N1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CC1 104705029 SFIZWYVBJHIWES-FQEVSTJZSA-N 361.461 2.384 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 12521234 COZFSEVTLFNDKG-UHFFFAOYSA-N 368.436 2.062 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1OCC(F)(F)F 24545920 JFNYNQXRUNWHRU-UHFFFAOYSA-N 352.272 2.445 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12531953 NZFAWJXRURQXJX-CQSZACIVSA-N 364.402 2.232 0 40 FEAB Cc1ccc(Cn2[nH]cc/c2=N\C(=O)Cc2ccc3c(c2)OCCO3)o1 105907139 DTNDUKUMOWICCJ-DYTRJAOYSA-N 353.378 2.207 0 40 FEAB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCSCC1 57613900 YINGIBDBRNUKBV-CQSZACIVSA-N 353.879 2.111 0 40 FEAB CCc1nn2c(=O)cc(CNc3cc(Cl)ccc3C(N)=O)nc2s1 25745847 XHHSQQQGLQADGR-UHFFFAOYSA-N 363.830 2.078 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc(Cl)cc2cccnc12 56566735 CBHQUSKTFULIRC-UHFFFAOYSA-N 369.874 2.290 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccnc(Cl)c2)cc1OC 25859664 BKFINSKCLMYGJL-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB CCOC(=O)c1cc(-c2cc3ccccc3o2)nc2c1c(=O)[nH]c(=O)n2C 3264521 OOZYVSGRDDNVDH-UHFFFAOYSA-N 365.345 2.212 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 48277945 GMYDGPGWMMQGRG-SFHVURJKSA-N 373.478 2.151 0 40 FEAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(C2CC2)[nH]n1 58061740 VCMWOKNUFIGMTD-MRXNPFEDSA-N 369.469 2.353 0 40 FEAB CCC(CC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10078312 ZOKGQPZIUFEXEE-UHFFFAOYSA-N 357.451 2.030 0 40 FEAB CN(C)c1cccc(CNC(=O)CCn2cnc3ccccc3c2=O)c1 58191354 FFOQRQCPWGCLKD-UHFFFAOYSA-N 350.422 2.169 0 40 FEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ncc(C)s3)cc(C(C)C)nc21 58191356 JOWATFPYJIQGFZ-UHFFFAOYSA-N 373.438 2.245 0 40 FEAB CC(=O)N[C@H]1CCCN(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)C1 58332442 DHNLMXPZZIKPHM-HIFRSBDPSA-N 374.510 2.117 0 40 FEAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCCO1 27906423 XUKQJHQKSCEJKR-UAGQMJEPSA-N 360.454 2.374 0 40 FEAB CCc1ccc(CN(C)C(=O)COC(=O)CCN2CCSC2=O)cc1 58465663 SXGIKIOQNVLLCF-UHFFFAOYSA-N 364.467 2.310 0 40 FEAB Cc1c(NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cccc1C(=O)NCCO 177242597 RKLIHABNLHDAIA-APWZRJJASA-N 373.497 2.310 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1C(=O)c2ccccc2C1=O 10891241 BUMKNTIFVKPHPJ-SJCJKPOMSA-N 367.357 2.054 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29506573 BGHHEORWDFFDAO-ZWKOTPCHSA-N 372.465 2.327 0 40 FEAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12938591 VLLINYXXNJBNMV-LBPRGKRZSA-N 374.890 2.279 0 40 FEAB COC(=O)c1ccccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 8849179 OVNJWEOMQJNUTE-UHFFFAOYSA-N 373.390 2.380 0 40 FEAB COc1cc(OC)c(NC(=O)Cn2nnc3ccccc3c2=O)cc1Cl 5322718 FHRVYEOUSHPDPL-UHFFFAOYSA-N 374.784 2.101 0 40 FEAB O=C(O[C@@H]1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 6438231 GBQLSBAZEMYALU-GFCCVEGCSA-N 367.404 2.021 0 40 FEAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 22350811 COLVTPAAKPQVSB-UHFFFAOYSA-N 350.415 2.153 0 40 FEAB CCc1ccc(CCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24678587 YFGBIOLAXHBZCD-QGZVFWFLSA-N 352.500 2.112 0 40 FEAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 6580312 VWJUKZSQADEMAT-VOTSOKGWSA-N 351.435 2.448 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cnn(-c2ccccc2)c1 14848576 DRCBMEVLXWSWBN-UHFFFAOYSA-N 373.416 2.310 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C)CC1 9094926 GOPGOSDBACTTAF-LBPRGKRZSA-N 374.890 2.274 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1c2ccccc2C[C@@H]1O 67645860 CMJZPAANCJHAQJ-OALUTQOASA-N 366.396 2.469 0 40 FEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2ccccc2F)CC1 16493936 JWTKOQSKBOHSIR-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C(=O)c2cccs2)CC1 16489239 VPDJAVFAWVDRAW-UHFFFAOYSA-N 370.434 2.409 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)NC2CCCC2)C1=O 8328131 UQXVESKNDPLQKH-RBZFPXEDSA-N 373.453 2.300 0 40 FEAB CCn1nc(C(=O)NC[C@H](c2ccccc2)N(C)C)c2ccccc2c1=O 9515701 IHYLPRBEWMDRNG-GOSISDBHSA-N 364.449 2.449 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2cn(C)c(=O)c3ccccc23)n1 61721682 NWNDIFZPJGPQBX-UHFFFAOYSA-N 357.391 2.424 0 40 FEAB Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)cc1 95367694 RNJYYMCRJIEVCU-UHFFFAOYSA-N 351.406 2.450 0 40 FEAB COC(=O)[C@@H](O)CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 95453153 DNRAEVQQHFWXSV-HNNXBMFYSA-N 351.305 2.021 0 40 FEAB CCN(CCC1CCN(C(=O)N[C@@H](C)c2nncn2C)CC1)CC1CC1 95457476 LKUGOHPVWPTXCT-HNNXBMFYSA-N 362.522 2.420 0 40 FEAB O=C(NCc1ccco1)c1cccc(CN2CC[C@@H]3CCOC(=O)[C@@H]32)c1 95976353 LJCLZAQKVHPGQT-CRAIPNDOSA-N 354.406 2.347 0 40 FEAB O=C(CNC(=O)C1CCCCC1)Nc1cccc(-c2nnnn2C2CC2)c1 9955368 ZAGFJSVKDGWWSD-UHFFFAOYSA-N 368.441 2.310 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(CCOc2ccccc2)CC1 23718442 GQWCBXMBOJFAGC-UHFFFAOYSA-N 364.442 2.211 0 40 FEAB CN(C)S(=O)(=O)c1cccc2c1CCN([C@@H](C(=O)O)c1ccccc1)C2 563892161 DRVZNIASWIORJI-GOSISDBHSA-N 374.462 2.121 0 40 FEAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 72346966 GPAPDIXARVWRIB-GFCCVEGCSA-N 358.467 2.409 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)CCn1nnc2ccccc2c1=O 32212414 CVTGWQTXXVVDDR-AWEZNQCLSA-N 366.421 2.376 0 40 FEAB Cc1ccsc1[C@@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 75155251 MWVVFRUVLLHINF-AWEZNQCLSA-N 353.465 2.070 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339034 ARUMTAYSTDBRDZ-XQJRBRMLSA-N 372.465 2.484 0 40 FEAB O=C(NC[C@H](O)c1cccc(F)c1)c1nc(N2CCCC2)ncc1Cl 70833729 LJTNXISSYJYPPA-AWEZNQCLSA-N 364.808 2.333 0 40 FEAB COc1cccc2c1CCN([C@@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 563282762 MVISZTJGPNKEKT-AWEZNQCLSA-N 368.433 2.456 0 40 FEAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCCOC 222979837 FTQJZDLLUKUXIE-HNNXBMFYSA-N 350.459 2.365 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1C 222990003 FPDMNMGBPCMPKM-UHFFFAOYSA-N 368.499 2.182 0 40 FEAB C[C@@H]1CCCN(CCCc2nnc(CCCN3CCC[C@@H](C)C3)n2N)C1 225149501 MRPCQHLHXYLXPU-QZTJIDSGSA-N 362.566 2.321 0 40 FEAB O=C(C1CCOCC1)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96057098 OFPPFJBRBAHLOF-FXAWDEMLSA-N 360.454 2.285 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96042801 NWGSMJSKQZCWBA-KFKAGJAMSA-N 355.438 2.313 0 40 FEAB COCCN1C(=O)C2(CCC(C(=O)Nc3ccc(OC)cc3)CC2)N=C1C 96087510 YOCXEVGLPHEZLM-UHFFFAOYSA-N 373.453 2.470 0 40 FEAB COCCCNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96037649 ONBBMXGIRHRXAU-UHFFFAOYSA-N 357.458 2.187 0 40 FEAB NC[C@]1(CO)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495195 FZAWCYLHPHPMGY-ZACQAIPSSA-N 369.845 2.356 0 40 FEAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 243444513 NDTRRZIDKHDDAU-MRXNPFEDSA-N 350.846 2.487 0 40 FEAB C[C@H]1c2nc(C(=O)NC3CC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591026 IDCYIFOCFNCLLJ-LBPRGKRZSA-N 354.410 2.081 0 40 FEAB Cc1cc(C)n(CCCC(=O)NCc2ccnc([C@@]3(C)CCCO3)n2)n1 257207288 BHCOLERNZUTXFB-LJQANCHMSA-N 357.458 2.412 0 40 FEAB Cc1csc([C@@H](C)CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)n1 273283892 LPWADOUZFVTUTO-SJCJKPOMSA-N 363.487 2.246 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)c2cc3c(cc2Br)OCO3)C1 621532429 BDJOUTQPOPOSEK-QMMMGPOBSA-N 356.172 2.115 0 40 FEAB O=C(CN1CCC[C@@H](C(=O)NCC2CC2)C1)NC1C2CC3CC(C2)CC1C3 642643947 NYJUZHRQJCOFPI-FYESYOFDSA-N 373.541 2.166 0 40 FEAB O=C(O)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 656241484 CVFCKPXHHRMNRY-HOTGVXAUSA-N 361.419 2.049 0 40 FEAB CC(C)(C)n1ncc2c(N)nc(N3CCC[C@@H]([C@@H]4CCCNC4)C3)nc21 656607548 OSMMDHZJHXSYKN-ZIAGYGMSSA-N 357.506 2.380 0 40 FEAB O=C(O)C[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)c1cccs1 681558078 OUVDYSSDVUADLW-SNVBAGLBSA-N 369.420 2.014 0 40 FEAB O=C(NC[C@H]1CCCCN1C1CC1)c1nc(N2CCCC2)ncc1Cl 683399832 AOSQHCOETWHIAZ-CQSZACIVSA-N 363.893 2.477 0 40 FEAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575406671 ZQMFLFVGXYXAMX-HNNXBMFYSA-N 358.438 2.026 0 40 FEAB CN(Cc1ccccc1)C(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188724 LXWBAAFSBLKEOC-HNNXBMFYSA-N 373.478 2.004 0 40 FEAB C/C(NCc1ccccc1)=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 6021327 BNBTUHIDEYFLSF-FOWTUZBSSA-N 353.353 2.472 0 40 FEAB C[C@@H]1CCCCN1C(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 12239876 LSLPGOFZVSBBHT-LLVKDONJSA-N 359.817 2.099 0 40 FEAB CC(=O)Cn1nc2nnc(-c3cccs3)c(-c3cccs3)n2c1=O 19016238 JHUIFWNCDRGOMM-UHFFFAOYSA-N 357.420 2.332 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2N)cc1 19558612 KWSUNDUQRMTWLV-CQSZACIVSA-N 368.437 2.294 0 40 FEAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)c1ccccc1)C2 19701382 QYHXUQBBVUEAJA-CQSZACIVSA-N 367.434 2.255 0 40 FEAB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1 8477333 ZZPVGKGMTQYTMP-GXDHUFHOSA-N 374.393 2.117 0 40 FEAB Cc1ccc(N2C[C@H]3CN(c4cc(C(F)(F)F)nc(C)n4)C[C@@H]3C2)nn1 1888853619 UKGSIRXTYBSKGP-STQMWFEESA-N 364.375 2.475 0 40 FEAB Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@H]2C1 1888870147 GUNJLYBYBDVLBQ-HZPDHXFCSA-N 370.428 2.075 0 40 FEAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 32598955 OVFHTLRWEGYOCQ-UHFFFAOYSA-N 365.798 2.197 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccccn2)CC1 35286652 DNKUDVQGJBVMKL-UHFFFAOYSA-N 357.888 2.303 0 40 FEAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc2ncsc2c1 245053410 OTFXABHGBYSKKI-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB O=C1COC[C@@]2(CN(Cc3ccccc3)CCO2)CN1c1ccccc1 2037980659 CXDRCPZFZQFPSB-OAQYLSRUSA-N 352.434 2.321 0 40 FEAB O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCc2[nH]nnc2C1 291850322 DNJXPIRTFDWXFC-ROUUACIJSA-N 367.497 2.328 0 40 FEAB O=c1cc(C2CC2)ncn1CC1CCN(c2ncnc3c2CCC3)CC1 585627806 DNDLLFVNEYRZEE-UHFFFAOYSA-N 351.454 2.316 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CCN(c3ccsc3)C(=O)[C@@H]2C1 1565542288 NNCGPAMLPSGCJD-MLGOLLRUSA-N 359.426 2.336 0 40 FEAB CCCn1c(-c2ccccc2)c(CC)n2c3c(=O)n(C)c(=O)n(C)c3nc12 1078431 FUFFRZIWSLOPHC-UHFFFAOYSA-N 365.437 2.326 0 40 FEAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccccc3C)c2=O)o1 4479063 RUDJFQRJKHCKNZ-UHFFFAOYSA-N 364.361 2.319 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccncc2)C1 2055754605 HYYTZYORGMYQFS-FQEVSTJZSA-N 352.438 2.257 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2cccnc2)CC1 2055713649 QWGKOHUAFAITOO-UHFFFAOYSA-N 365.437 2.179 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)nn2C)c(C)c1 1775966604 OOAGNWIMFOUNQN-UHFFFAOYSA-N 372.450 2.278 0 40 FEAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cc(-c2ccco2)on1 36662451 VGTYUVCQPNQQNE-LBPRGKRZSA-N 372.406 2.153 0 40 FEAB CN1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 30029522 FGGFLXHMVBGZBB-LJQANCHMSA-N 372.490 2.360 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@H](C)O1 40090531 HZRLYISNHGETGR-GJZGRUSLSA-N 362.445 2.243 0 40 FEAB COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(C)on2)CC1 40050610 AXCZLEDWFILEBR-UHFFFAOYSA-N 358.398 2.119 0 40 FEAB CCN(Cc1ccccc1C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51135824 CWODOFIKTGHHCZ-UHFFFAOYSA-N 373.478 2.396 0 40 FEAB N=c1c2nc(-c3ccccc3Cl)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100916291 OFKKUSSIRPKFIR-UHFFFAOYSA-N 365.780 2.202 0 40 FEAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(Cc4ccccc4)C3=O)nnc2n1 101036137 WWPAZVOAAVDSGZ-CQSZACIVSA-N 367.434 2.161 0 40 FEAB CCCCn1c(COc2ccc(OC)cc2)nnc1SCC(N)=O 4161342 QVILRVYZVXZEGQ-UHFFFAOYSA-N 350.444 2.243 0 40 FEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cn2nc(O)c3ccccc3c2=O)cc1 4278177 JGCHABGRPVVSIH-CYBMUJFWSA-N 366.373 2.225 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 4555256 WZRDECZHWUVOPD-HNNXBMFYSA-N 353.374 2.474 0 40 FEAB c1ccc(CN2CCOC[C@@]3(C[C@@H](CNc4ccccn4)CO3)C2)nc1 107243546 MYCMLSNFVDBMNQ-FXAWDEMLSA-N 354.454 2.196 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cn1 47275590 GWKQMPILDQVRBF-UHFFFAOYSA-N 359.393 2.468 0 40 FEAB CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CN3CCOCC3)ccc21 12421928 DKNNSHPLFXCUAK-INIZCTEOSA-N 360.454 2.244 0 40 FEAB c1ccc2c(c1)nc1n2C2(CCCC2)N=C2NCN(C[C@@H]3CCCO3)CN21 54095989 BDTXXWGCSGDPBX-HNNXBMFYSA-N 366.469 2.438 0 40 FEAB CC(C)(C)c1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)on1 23696478 HPEQUCZAQSXRLP-UHFFFAOYSA-N 358.442 2.438 0 40 FEAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O 56400433 KWVUAIYUXRWXDN-AWEZNQCLSA-N 373.453 2.086 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102382091 UZUQNEUUYHKYPF-BVIKNXMNSA-N 372.465 2.209 0 40 FEAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2nnc3n2CCCCC3)CC1 106523681 OALLRHATCFYYGZ-YESZJQIVSA-N 357.502 2.085 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccsc1 25329720 JVIVDITXIXIKMI-INIZCTEOSA-N 366.508 2.325 0 40 FEAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 3263550 DJYWVNUAPDPWJL-UHFFFAOYSA-N 368.436 2.037 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1cc(-c2ccccc2)no1 57377358 SMCQWJXSTQYRMT-UHFFFAOYSA-N 360.377 2.312 0 40 FEAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 3234079 HPTIFMDZYFQKHI-LDYMZIIASA-N 350.234 2.227 0 40 FEAB CCc1nn2c(=O)cc(CNc3cccc(C(=O)NC4CC4)c3)nc2s1 12609539 DQDKEXUFADYIJA-UHFFFAOYSA-N 369.450 2.218 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)CCn1cnc2sccc2c1=O 10086206 HIFIAZUUYUAIJP-UHFFFAOYSA-N 370.478 2.226 0 40 FEAB O=C(COc1ccccc1Cl)Nn1c(S)nc2ccccc2c1=O 102229018 JTEBTFSFBYIHAG-UHFFFAOYSA-N 361.810 2.488 0 40 FEAB O=C(NCc1ccccc1OC(F)F)N1CCN(c2ncccn2)CC1 10593157 AVQKVRRPZQGZDH-UHFFFAOYSA-N 363.368 2.110 0 40 FEAB Cc1cc(NCCC(=O)N2C[C@H](C)O[C@H](C)C2)nc(-c2ccncc2)n1 58223830 UOZZZXXBKWANMX-GASCZTMLSA-N 355.442 2.285 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 24257282 GZSKCGHPRGMSGL-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCc3ccccc31)C2=O 3327060 UMTUKECVJRIIII-UHFFFAOYSA-N 355.438 2.467 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)CC1 58304478 YKQFFKAECUYXCO-CYBMUJFWSA-N 362.426 2.060 0 40 FEAB CCOc1ccccc1N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 27934926 YMWBAJRIGYWDFX-INIZCTEOSA-N 367.515 2.184 0 40 FEAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)NC1CCCC1 12774872 WZKYKBPLVBFGCW-NVXWUHKLSA-N 372.465 2.068 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCOc1ccccc1F 11355032 HQXUDJMRSKPFQR-UHFFFAOYSA-N 355.369 2.190 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(OC(F)F)cc2)C1=O 11512576 REUJVDXSTULNTL-UHFFFAOYSA-N 369.368 2.015 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1 29377317 OOAQIHSBELORMR-UHFFFAOYSA-N 356.407 2.068 0 40 FEAB C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(OCc2ccccn2)c1 48375182 OOFVKORNVSLORA-CQSZACIVSA-N 371.462 2.371 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 3555939 DQHBGBDEYQPZPP-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB CC(C)C[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 12993034 YVWCSELQQCGYPV-GOSISDBHSA-N 365.437 2.333 0 40 FEAB CC(C)NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 5451237 AAEVZPUPXHNUNI-UHFFFAOYSA-N 360.414 2.121 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 8851131 QGCLFSOBOQFVKH-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CC(C)C[C@@H](CN(C)C)NC(=O)NCc1n[nH]c(-c2cccs2)n1 66700080 REHOPXHOZNSWQF-LBPRGKRZSA-N 350.492 2.309 0 40 FEAB Cc1cc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2)ccc1F 67263174 AOXRADUGLXYEPR-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 9048357 VBNIWHFERLONLD-JTQLQIEISA-N 368.789 2.304 0 40 FEAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 9060973 XRHNAKUMQJTHNU-OLZOCXBDSA-N 360.888 2.061 0 40 FEAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc2c(c1)OCCO2 9096203 OYAGKYJHYZRRJY-UHFFFAOYSA-N 374.466 2.451 0 40 FEAB COc1cc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc(OC)c1 23902228 MDZNIUTXVCZWPY-UHFFFAOYSA-N 357.410 2.456 0 40 FEAB CCN(c1cc(OC)c(OC)cc1C(=O)NC(C)(C)C)S(C)(=O)=O 22251743 BIVYJHUGYDQYHY-UHFFFAOYSA-N 358.460 2.018 0 40 FEAB CS(=O)(=O)Cc1nc(CN(CCO)[C@@H]2CCc3ccccc32)cs1 72632221 SOXCTFDXGIKHMZ-MRXNPFEDSA-N 366.508 2.170 0 40 FEAB CCNS(=O)(=O)CCNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 75108266 SXIXWDXBEUNREC-ZDUSSCGKSA-N 366.405 2.255 0 40 FEAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(F)c(F)c1 22371243 JYSTVKKYQHSZIX-UHFFFAOYSA-N 356.350 2.068 0 40 FEAB O=C(c1ccoc1)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccn1 306130884 JRVUUXJEYKVCRL-MSOLQXFVSA-N 362.389 2.198 0 40 FEAB COc1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cn1 524733149 ZEWNKIQWCWQHHS-UHFFFAOYSA-N 356.411 2.259 0 40 FEAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 4590293 YRDDIMAXVMGUKA-WFASDCNBSA-N 361.394 2.484 0 40 FEAB biogenic COc1ccc([C@@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C(=O)O)cc1F 565364363 QDXHAOZJULPGJD-QLJPJBMISA-N 361.373 2.169 0 40 FEAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241268 UUTACKJWLPUQIZ-IAGOWNOFSA-N 362.813 2.490 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218046752 WUDWCYMAKWHYLQ-AOIWGVFYSA-N 359.447 2.195 0 40 FEAB COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)[C@H]2CC2(C)C)CC1 578212629 XKHGYVVBMFXIJK-CQSZACIVSA-N 363.458 2.474 0 40 FEAB CCC(CC)CN1CC[C@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 96225991 MNKWUTRMGVDYOY-IBGZPJMESA-N 359.474 2.058 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 248047160 RBJDLAZFWLDMEE-MRXNPFEDSA-N 372.494 2.258 0 40 FEAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3ccccn3)C2)OC1 248131774 QNRAPPAWPPYDTJ-GOSISDBHSA-N 366.465 2.230 0 40 FEAB COc1nnc(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)s1 529083773 ZQOVXVFPKNRETR-UHFFFAOYSA-N 358.427 2.382 0 40 FEAB CNC(=O)c1cc2cc(NC(=O)N3C[C@@H]4CCC[C@]4(CO)C3)ccc2[nH]1 626546874 UXVQMGQFTNNGDZ-ORAYPTAESA-N 356.426 2.154 0 40 FEAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)ccc1-n1cccn1 643370269 PZWXTCXQDMFLRY-HNNXBMFYSA-N 352.398 2.372 0 40 FEAB CC[C@H](COCC(F)(F)F)NS(=O)(=O)C[C@H]1CC2(CCC2)CO1 1190622816 WGIUZGQUYXKFFP-VXGBXAGGSA-N 359.410 2.223 0 40 FEAB Cc1noc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)n1 1775995788 IRZDVUHLYOCATG-NSHDSACASA-N 368.235 2.222 0 40 FEAB COc1ccc(CN(C)C(=O)CCn2cnc3ccccc3c2=O)cc1 53464021 OPKJPPQSGMEUAR-UHFFFAOYSA-N 351.406 2.454 0 40 FEAB O=C(c1c[nH]c2ccccc12)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775973865 IGCCFSODJXKFKT-UHFFFAOYSA-N 371.400 2.484 0 40 FEAB CCN1C(=O)c2ccccc2N(CC(=O)N(C)C)C(=O)c2ccccc21 5456137 BPWDZRVWIRYNRF-UHFFFAOYSA-N 351.406 2.402 0 40 FEAB COc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 5918618 MFWGEJDSBSSDEC-AEFFLSMTSA-N 370.405 2.406 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)N1CCCC1=O 12086974 MLYRQQWXHALFOW-GOEBONIOSA-N 358.438 2.187 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)C1 12146282 WEFVFOWXMRGFKE-RLFYNMQTSA-N 369.465 2.142 0 40 FEAB Cc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)CN2CCCC2=O)on1 12337701 BSHHUXPNYLIUNN-UHFFFAOYSA-N 371.441 2.144 0 40 FEAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)N1CCC[C@@H](O)C1 13266271 LZIATSHUWHFPQV-OAHLLOKOSA-N 373.478 2.244 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]2C=C[C@H]1CC2 13321065 AZILDUUYUIDGLK-BODMPHMZSA-N 358.413 2.387 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 15136147 KRTFAHLNJNXOAO-UHFFFAOYSA-N 350.378 2.106 0 40 FEAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18104217 MWTBKXXEKXKQDS-UHFFFAOYSA-N 374.462 2.223 0 40 FEAB Cc1nc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccccn12 19240719 JZYUVTFKOHPTRC-UHFFFAOYSA-N 372.432 2.346 0 40 FEAB CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(CC(=O)NC3CC3)CC[C@@H]21 19499211 PHRCLQOXYVFMTR-FHWLQOOXSA-N 373.472 2.131 0 40 FEAB CCc1cc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)no1 19522602 LGEGUAKSODUWKP-UHFFFAOYSA-N 368.397 2.405 0 40 FEAB C[C@H](NC(=O)c1nc2ccccc2n(C)c1=O)c1ccc2c(c1)OCCO2 19666400 ZULFVPUJPOPVQL-LBPRGKRZSA-N 365.389 2.196 0 40 FEAB Cn1nccc1CN1CC[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 19748007 QZKIXUIMVCMYIA-MRXNPFEDSA-N 351.454 2.082 0 40 FEAB COCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 19212861 OIWJZLSCKMPKHB-LJQANCHMSA-N 366.461 2.426 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 1565551133 ASGFKAUDXVYJNK-QGZVFWFLSA-N 360.389 2.050 0 40 FEAB CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374842 QLIIOXROIBLRFY-UHFFFAOYSA-N 357.435 2.416 0 40 FEAB Cc1nc2sc([C@H](c3ccccc3)N3CCC(C(N)=O)CC3)c(O)n2n1 23156778 PKQTZEPWHWIUAK-AWEZNQCLSA-N 371.466 2.092 0 40 FEAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccs1 2968787 OKOQMTCJRSXFNG-ZDUSSCGKSA-N 370.459 2.122 0 40 FEAB CCN(CC)CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 8715483 IXIRVLPCOXHRFN-UHFFFAOYSA-N 361.467 2.416 0 40 FEAB C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)NC(=O)NC(C)(C)C 249098145 UIZRVIHWCWOJBP-VQISRLSMSA-N 369.412 2.397 0 40 FEAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 30009448 VIMBMZUJLXXMFC-CQSZACIVSA-N 356.426 2.366 0 40 FEAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1ccsc1 40154250 FZCDEFXZJPTLER-DOTOQJQBSA-N 371.510 2.412 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H]1CCN(c2ccccc2)C1 40120963 PSPOKXGLFFRXLX-INIZCTEOSA-N 364.511 2.377 0 40 FEAB O=C1/C(=C/c2coc3ccccc3c2=O)NC(=S)N1CN1CCCCC1 100437425 PUXZETLAFLZIHO-GDNBJRDFSA-N 369.446 2.294 0 40 FEAB COc1cc(C(=O)NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1C 50821662 QEPDNLAUDIFGBU-UHFFFAOYSA-N 365.407 2.140 0 40 FEAB O=C(O)CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCC3)c2c1 31819993 FFOCXHQSWNAGKM-QGZVFWFLSA-N 359.382 2.193 0 40 FEAB Cc1occc(=O)c1OCc1noc(C(=O)N[C@@H](C)c2ccccc2)n1 32074583 CVHYMNGQIZLIHW-NSHDSACASA-N 355.350 2.401 0 40 FEAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCC(C)C)n3)ccc12 20730296 YRPPSHNVYLHOKF-UHFFFAOYSA-N 357.366 2.449 0 40 FEAB biogenic CC(=O)N1CCN(C(=O)c2ccc(OCc3csc(C)n3)cc2)CC1 20895075 DMDACUICVCWKAT-UHFFFAOYSA-N 359.451 2.335 0 40 FEAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1 21360385 IPVQEZMFMOFDQI-UHFFFAOYSA-N 370.453 2.479 0 40 FEAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1noc(-c2ccc(Cl)cc2)n1 79044718 LTUUDFOBGCAXIX-SECBINFHSA-N 367.818 2.163 0 40 FEAB C[C@@H](C(=O)NC[C@@H]1CCCN2CCCC[C@H]12)N1Cc2ccccc2C1=O 79188910 IYBJACMENGZDPN-TXPKVOOTSA-N 355.482 2.412 0 40 FEAB biogenic COC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C 4388571 YPDWCUIHSJSFJG-UHFFFAOYSA-N 369.472 2.221 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C[C@@H]1C=CCC1 7937841 OHNLLTJYNDLTAK-SECBINFHSA-N 353.396 2.303 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)oc1C 22008984 YMTLSEMDFIDGMD-MRXNPFEDSA-N 357.362 2.115 0 40 FEAB CCOc1ccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 10448642 KLRZSWBHSSWASQ-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB Clc1cnn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 2803614 ZIKURENUMUNLOX-UHFFFAOYSA-N 350.773 2.361 0 40 FEAB CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1 938052 RXVNXBWESPXHFR-QGZVFWFLSA-N 361.419 2.286 0 40 FEAB COC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc(C)c1C 9512246 KJLLUKFLTPNSRM-UHFFFAOYSA-N 367.456 2.204 0 40 FEAB C[C@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)c2ccccc2C1=O 104992779 QIHOVLKNXKNISR-FZTQVDHZSA-N 365.414 2.352 0 40 FEAB Cc1ccc(CNC(=O)[C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)cc1 23628945 NVFNBDYNCYTZPE-AWEZNQCLSA-N 361.467 2.483 0 40 FEAB Cc1ccccc1OC[C@@H](O)CN1CCCN(C(=O)c2ccoc2)CC1 55059965 KZQLIUDOBOHUKC-SFHVURJKSA-N 358.438 2.176 0 40 FEAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1nc2ccccc2c(=O)[nH]1 24808889 VOBHEPXCRQNPDJ-LLVKDONJSA-N 371.828 2.431 0 40 FEAB CN1C(=O)N(CC(=O)Nc2nc3c(s2)CCC3)C(=O)C12CCCCC2 25768374 IZNBLRBOJPBHPJ-UHFFFAOYSA-N 362.455 2.167 0 40 FEAB Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 56841889 MPYDBJDJDOOJGA-QAPCUYQASA-N 367.405 2.153 0 40 FEAB COc1cc(CN2C(=O)c3ccccc3S2(=O)=O)cc(OC)c1OC 44644217 AMJNHBMPRVRJHL-UHFFFAOYSA-N 363.391 2.057 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C[C@@H](C)C[C@@H](C)C1)n2CC 58019511 YZBQVJMGQSXJOG-OKILXGFUSA-N 361.490 2.184 0 40 FEAB C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(OCC(F)(F)F)cc1 58174413 ZEQALPITJIUUJK-LLVKDONJSA-N 372.343 2.344 0 40 FEAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)NCC(F)(F)F 58202519 DDQREDOBVAGNKH-LLVKDONJSA-N 353.385 2.044 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 36398706 AUVZMQOPUIVCFP-YESZJQIVSA-N 361.486 2.198 0 40 FEAB O=C([C@@H]1CN(Cc2ccccc2F)c2ccccc2O1)N1CCOCC1 29141364 LSHUOUDQJTZMOH-IBGZPJMESA-N 356.397 2.452 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCC(F)(F)F)cc2)n1 3468989 VRUHNBQUIUTIGR-UHFFFAOYSA-N 355.316 2.324 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CCc2nc(-c3ccncc3)no2)n1 23246892 PKLCPCWHCCMPDR-UHFFFAOYSA-N 354.414 2.084 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C)sc3c2)n(C)c1 12940084 BGTIPWPTTOUOJE-UHFFFAOYSA-N 364.452 2.104 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@H]1c1nnc2ccccn12 14190024 QHVOFUVMOAPEOZ-AWEZNQCLSA-N 352.394 2.480 0 40 FEAB O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1C(F)(F)F 9483996 XBTXGKRBJMABOG-IHRRRGAJSA-N 355.360 2.433 0 40 FEAB CN(C)C(=O)Cn1cc2c(n1)[C@H](Nc1ccc(C(F)(F)F)nn1)CCC2 96002471 HMERUAARHOBSEE-LLVKDONJSA-N 368.363 2.270 0 40 FEAB CCN(CC(C)(C)O)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 81972729 DXSJUZXVNJDUGD-OAHLLOKOSA-N 350.434 2.297 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 8367626 QEKOBABYCPDRPJ-UHFFFAOYSA-N 374.462 2.344 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 96345558 BQIOCVIVRXXVDM-UHFFFAOYSA-N 369.421 2.328 0 40 FEAB CCOC(=O)N1CCC(NC(=O)NCCc2nc(CC)c(C)s2)CC1 72078738 KGCGYWFRHRXZDG-UHFFFAOYSA-N 368.503 2.477 0 40 FEAB C[C@H](NC(=O)C1CCC1)C(=O)Nc1cccc(CN2CCCCC2=O)c1 84070060 WKZHJMJCVCSERX-AWEZNQCLSA-N 357.454 2.442 0 40 FEAB C[C@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c1ccc2ccccc2c1 84600529 BDAWISKNZYJLQH-GJZGRUSLSA-N 360.479 2.470 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1c[nH]c2nccc(Cl)c12 95449632 AFMFBUOFUXFWEA-UHFFFAOYSA-N 354.863 2.121 0 40 FEAB COC(=O)N[C@H](C(=O)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1)C(C)C 95458887 RQAWBQJEAVDUAQ-VBNZEHGJSA-N 352.431 2.268 0 40 FEAB C[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 84838518 LXYPOCRZLVXXGB-GFCCVEGCSA-N 354.447 2.002 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCC2)cn1C 74967424 LKIUJDGKXNCUCJ-UHFFFAOYSA-N 366.414 2.309 0 40 FEAB Cc1nc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 75093701 DIGFHYRSFGFJGG-MRVPVSSYSA-N 353.425 2.280 0 40 FEAB CCCn1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c2ccccc21 89960707 DLEXOLJMMGUNRA-XCLFUZPHSA-N 368.437 2.159 0 40 FEAB CC1CCN(C(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)CC1 408975719 LYDUUVYNYOQOJB-UHFFFAOYSA-N 350.378 2.149 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/Sc1n[nH]c(C)n1)C(=O)O 409195474 VDRGBEBOCQUPAB-FMNNIJNLSA-N 357.395 2.213 0 40 FEAB CCC(=O)c1ccc(OCC(=O)N2CCN(Cc3cc(C)no3)CC2)cc1 23417972 FJJMJZPSHAIIPN-UHFFFAOYSA-N 371.437 2.299 0 40 FEAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O 24209318 UTVWZPXQRPPPLV-SHBDPFAUSA-N 364.417 2.204 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218392256 VPXGMBYPRHJZLA-JKSUJKDBSA-N 352.839 2.251 0 40 FEAB Cc1nc2ccccn2c1C(=O)NCC1CCN(c2cnccn2)CC1 70930406 FAFTXJPZSOCROR-UHFFFAOYSA-N 350.426 2.079 0 40 FEAB CC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217630370 JZZCBCJCKRMGHI-NWDGAFQWSA-N 356.444 2.053 0 40 FEAB O=S(=O)(NC[C@H](O)c1ccoc1)c1ccc(Br)s1 75171902 NRQMWHHIDPQYAZ-QMMMGPOBSA-N 352.231 2.116 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)ccc1Br 14186548 CHCZRPNOBJVEDD-LBPRGKRZSA-N 361.261 2.120 0 40 FEAB COc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCCC1 226045183 FQUGGKXXHZNQKU-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)c(C)c1 77115065 PGTCRRZJQJTYGN-CQSZACIVSA-N 368.480 2.417 0 40 FEAB CCN1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@@H](COC)C1=O 96208193 ZHQRRJSYEPZTLS-SFHVURJKSA-N 358.482 2.353 0 40 FEAB CCN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCOC1)CC2 96199682 AKMWYFSRIPJZSW-ROUUACIJSA-N 356.466 2.420 0 40 FEAB CSCC[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 96232395 GIXJQVUKFBKEQZ-AWEZNQCLSA-N 367.438 2.225 0 40 FEAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccc(C)n1)CC2 96208409 JWLVVUXGOXKGBL-IBGZPJMESA-N 357.498 2.487 0 40 FEAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 96253289 YNJGZFJFNBALSR-HSALFYBXSA-N 351.450 2.296 0 40 FEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 539498301 DZDFYPDGMSXLDM-NBPAUJCUSA-N 374.481 2.104 0 40 FEAB CN1CCN(c2ccc(F)cc2C(=O)NC[C@@H]2COc3ccccc32)CC1 585084127 BLHWWUHIIFCBFF-OAHLLOKOSA-N 369.440 2.484 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)ccn1 257335876 YMGSDPCRQQIDSD-KRWDZBQOSA-N 351.472 2.127 0 40 FEAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260720703 SWIUEZPLOPDMIP-CHWSQXEVSA-N 365.503 2.187 0 40 FEAB CNC(C)(C)c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)nn1 640760836 LHJOOBADOPTIRD-UHFFFAOYSA-N 355.486 2.214 0 40 FEAB Cc1ccc(OC2CCN(C(=O)[C@H]3COCCN3CC3CCC3)CC2)nc1 1615001221 VPRLKYGNDSZZMN-LJQANCHMSA-N 373.497 2.261 0 40 FEAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(=O)[nH]n1 96119656 DSMUJAULUKHLHO-UHFFFAOYSA-N 363.333 2.256 0 40 FEAB CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2 567798771 VJLQKTHBBDBPHW-GJZGRUSLSA-N 369.439 2.019 0 40 FEAB O=C(/C=C/c1ccncc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288013 MLMBUFDJXZAIKY-LAPPSWGCSA-N 350.418 2.241 0 40 FEAB CCN1CC[C@@]2(CN(C(=O)Cc3ccccc3F)CC(F)(F)C2)C1=O 585093226 JXWNLVGEUUQFBU-QGZVFWFLSA-N 354.372 2.474 0 40 FEAB OCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 585268838 RDGLSUBXLQBQCQ-PMACEKPBSA-N 361.413 2.211 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Cl)c1 56100048 DQUIPPCPVUNBNS-NSHDSACASA-N 370.837 2.216 0 40 FEAB COCCn1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n(C2CC2)c1=O 77150312 SDZDEWGOUZTLAF-MRXNPFEDSA-N 370.453 2.046 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3C[C@@H](C(F)(F)F)OC[C@H]3C)cc2=O)cc1 672174780 ZBKXPKOJVZTHLR-RISCZKNCSA-N 369.343 2.266 0 40 FEAB CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3sccc3n12 5108835 MJDONQWJZRDUBZ-UHFFFAOYSA-N 356.407 2.183 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1OC 5221700 XCTGGXVAEWRQKJ-OAHLLOKOSA-N 354.406 2.168 0 40 FEAB Cc1ncsc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225309 UAILSKCHEAMLKF-UHFFFAOYSA-N 357.435 2.249 0 40 FEAB Nc1nc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 12671057 BLZYOLVKLXNPAK-UHFFFAOYSA-N 356.411 2.190 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccccc1 13016350 ZNIAFRWLQHTXIM-NRFANRHFSA-N 363.417 2.302 0 40 FEAB Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(O)nc(-c2cccnc2)n1 19083813 RMYQZVZWZXKOIC-UHFFFAOYSA-N 366.425 2.205 0 40 FEAB CCN(CC)C(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19526140 URLRJUGJHOXNCH-MRXNPFEDSA-N 373.497 2.243 0 40 FEAB COc1ccccc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 19570701 OJHRNKBIRMTIMK-UHFFFAOYSA-N 362.433 2.441 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCc3cccc(C)n3)C2)c1 19750358 IGYSHGCWPFXLGH-MRXNPFEDSA-N 353.422 2.177 0 40 FEAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(Cc3ncc[nH]3)CC2)n1 19757075 VQSNSTWVRKVTIG-UHFFFAOYSA-N 368.485 2.199 0 40 FEAB COCCCn1c(C(=O)NCC(C)C)cc2c(=O)n3cccc(C)c3nc21 5205025 HCUOMSCJCSHMLH-UHFFFAOYSA-N 370.453 2.380 0 40 FEAB CC(C)S(=O)(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1776001387 QCVIAIIFLZYFJO-UHFFFAOYSA-N 361.467 2.285 0 40 FEAB CC(C)NC(=O)[C@H]1OC2(CCN(C(=O)[C@H]3CCOC3)CC2)c2ccccc21 1565553907 GVQDKEIVIJPHQL-YJBOKZPZSA-N 372.465 2.137 0 40 FEAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)cn1 1565552982 FXVYNRKDQRSNDO-QRVBRYPASA-N 360.502 2.143 0 40 FEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4370578 OTOJEZOSEQPKIL-UHFFFAOYSA-N 365.437 2.395 0 40 FEAB CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 4941385 MNOYOWXMPUCSAT-CQSZACIVSA-N 362.426 2.216 0 40 FEAB CN(CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 5123253 MWOZCTNXJZQAAZ-GOSISDBHSA-N 366.465 2.223 0 40 FEAB CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)on3)n2)cc1 5396273 ZIOIKNXUIYDSNK-UHFFFAOYSA-N 354.366 2.244 0 40 FEAB CCOc1nn(CC)cc1C(=O)N1CCN(c2ccccc2OC)CC1 8842378 RVDVGXGQWVFDQL-UHFFFAOYSA-N 358.442 2.273 0 40 FEAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2ccoc2)CC1 2055708142 PLGPVLLUUQVXHG-UHFFFAOYSA-N 356.348 2.146 0 40 FEAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)Cc1ccco1 206621671 CIDQVOCOPMSACS-MRXNPFEDSA-N 354.765 2.121 0 40 FEAB C[C@@]12CC3CC(CC(=O)N4CCN(S(C)(=O)=O)CC4)(C1)C[C@](C)(C3)C2 12402562 DQNIPTCSZPUNFK-AFGAAMFOSA-N 368.543 2.477 0 40 FEAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)n1nnc(-c2ccc(Cl)cc2)n1 31653227 FQVTZOOTGNVDKN-VIFPVBQESA-N 350.810 2.179 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)N2CCCC[C@H]2CC)nc1N 801496 NUFCTGIGIQQSSH-LLVKDONJSA-N 352.460 2.119 0 40 FEAB COc1ccccc1CNC(=O)CSc1nc(=O)[nH]c2c1CCCC2 4316943 QDPYUKGFCYAKBE-UHFFFAOYSA-N 359.451 2.066 0 40 FEAB CCOC[C@@H]1CCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)C1 72311379 PNMCNIYXXAQCFD-QAPCUYQASA-N 373.453 2.069 0 40 FEAB CCC(=O)Nc1ccc(C(=O)COC(=O)Cc2c(C)nn(C)c2C)cc1 10199825 XPQJQVVVFBIYHO-UHFFFAOYSA-N 357.410 2.354 0 40 FEAB O=C(OC[C@H]1CO[C@@H](COC(=O)c2ccccc2)CO1)c1ccccc1 712548 IUGQYFOYHIEZQN-QZTJIDSGSA-N 356.374 2.484 0 40 FEAB C[C@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2Cl)CC1 54360199 WYXOWOJXDOYOQW-MRXNPFEDSA-N 365.905 2.347 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 1288092 LLDKNCDVTLUSIG-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB O=C(NCCNS(=O)(=O)c1ccccc1)c1cc2cc(F)ccc2[nH]1 24835530 VNERUGAHEQVPBQ-UHFFFAOYSA-N 361.398 2.015 0 40 FEAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)c1 108532434 SMPSXXWJMNCINU-INIZCTEOSA-N 370.490 2.197 0 40 FEAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@H]1CCCO1 57905401 VAOKIMGPOZQIJJ-LLVKDONJSA-N 359.348 2.005 0 40 FEAB C[C@@H](CN1CCOCC1)NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 26533219 NRDXCSDBCDQARZ-LBPRGKRZSA-N 374.407 2.006 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(OC)cc(OC)c1 3399764 YNZPAGZXFLLHFS-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB CC(=O)N[C@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1 58340952 QLWGLSQWWIWKJM-MRXNPFEDSA-N 374.828 2.057 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8771944 XDQZBXAENXDWFM-UONOGXRCSA-N 358.442 2.240 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1 22383025 GKUZSOZYSXQXKV-JTQLQIEISA-N 354.815 2.442 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2OC)C1=O 409070480 YHZWXUMCKILHDR-MRACZJACSA-N 351.380 2.302 0 40 FEAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 12774841 GSFZTAYSJWVIEY-LLVKDONJSA-N 352.843 2.407 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 11276706 IMHVRQKSQQCMHZ-RBZFPXEDSA-N 367.405 2.415 0 40 FEAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(C)s2)CC1 306135719 OYRFOQARRBLYOM-UHFFFAOYSA-N 359.499 2.236 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc2c1 3985169 ZXUHBQHGZVPZRR-UHFFFAOYSA-N 355.394 2.056 0 40 FEAB biogenic C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1 49538508 OJOVYKHIXCPHFT-HNNXBMFYSA-N 374.485 2.061 0 40 FEAB C[C@H](CC(=O)OCC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1 18340364 AOYJXYRFIALDKU-GFCCVEGCSA-N 357.362 2.032 0 40 FEAB C/C(Nc1cccc(C(=O)O)c1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 5031124 QLWNVFNABLFSKF-PTNGSMBKSA-N 365.345 2.354 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(C)cc4)[C@@H]3C2=O)cc1 4483517 YCXKKZDIAITHHX-IRXDYDNUSA-N 350.378 2.497 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1cccc(F)c1)C2=O 8940749 YAOLPMBUFQQZAN-BFUOFWGJSA-N 361.417 2.285 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327138 MEMVIJZOSNLKDX-UHFFFAOYSA-N 350.470 2.209 0 40 FEAB COc1cccc(CNC(=O)c2nnn(Cc3ccccc3C)c2N)c1 4852670 VZDQPLLCGDEOHP-UHFFFAOYSA-N 351.410 2.156 0 40 FEAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccccc1 6818928 VQADERJVDVJJQI-AWEZNQCLSA-N 361.467 2.301 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(F)ccc2F)cc1 8093194 FBUYIFVSRDYMHO-UHFFFAOYSA-N 363.364 2.482 0 40 FEAB CCN(CC)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8475362 TWGGXCZDAFHEBN-UHFFFAOYSA-N 357.439 2.069 0 40 FEAB C[C@@H]1C(=O)NCCN1C(=O)CCSc1ccccc1Br 72096273 FVHCZFRMVKOEGZ-SNVBAGLBSA-N 357.273 2.278 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 83957241 GDZTUQPEGFPRAW-INIZCTEOSA-N 373.453 2.304 0 40 FEAB Cn1nc(C(=O)Nc2ccccc2N2CCCC2=O)c2ccccc2c1=O 9449271 QTOBJMLGNXTQNI-UHFFFAOYSA-N 362.389 2.313 0 40 FEAB COc1cc2nc(NN)n(C3Cc4ccccc4C3)c(=O)c2cc1OC 408712731 LUMHGDOVDWVJHN-UHFFFAOYSA-N 352.394 2.039 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(C)C 1907657 GTLGIRWPQZLHMU-PXAZEXFGSA-N 361.394 2.183 0 40 FEAB biogenic Cc1nc([C@](C)(NS(=O)(=O)c2cnn(-c3ccccc3)c2)C2CC2)no1 517007299 WEZBRAZAKLVIPC-QGZVFWFLSA-N 373.438 2.167 0 40 FEAB COc1ccc(Br)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 409279267 HEJKORORQDHTDR-BRXULGCHSA-N 364.195 2.291 0 40 FEAB CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccccc1 36612820 KXCMAPVEOBFEKG-SFHVURJKSA-N 368.433 2.445 0 40 FEAB COc1cccc(CN2CCc3nnc([C@@H]4CCCN4C(C)=O)n3CC2)c1 72372767 VZFHFMUUQRQQOH-SFHVURJKSA-N 369.469 2.028 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 44227089 IMJINUAJHBGYJX-UHFFFAOYSA-N 369.412 2.247 0 40 FEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222816139 KYBMDYKDLCBWKJ-HNNXBMFYSA-N 370.449 2.410 0 40 FEAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(C/C=C/c2ccccc2)CC1 225510661 DFPKCWDPUPVIAO-UKTKYZJWSA-N 350.466 2.372 0 40 FEAB COCCN1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96261915 IMUPWFPRXXTKJG-FQEVSTJZSA-N 372.490 2.439 0 40 FEAB O=C(c1cnc(C2CC2)nc1)N1CCC2(CC(Nc3ccncn3)C2)C1 257306330 STVUKINGQSQQPV-UHFFFAOYSA-N 350.426 2.251 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCO2)n1 257330189 XNGUHUXDLXXKRV-INIZCTEOSA-N 351.410 2.293 0 40 FEAB Cc1cc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)nc(C)n1 257323204 WJDYAYXBFQRXEB-OAHLLOKOSA-N 359.430 2.133 0 40 FEAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)ccc12 257304735 SMYRXNUXIXEHEV-ZDUSSCGKSA-N 357.458 2.331 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)nc(C)n1 257229214 FXFCMXZEPNYQBF-SFHVURJKSA-N 357.458 2.287 0 40 FEAB O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCC(Oc2ccc(F)cc2)CC1 662462866 RWPACLVIYSNMEH-CYBMUJFWSA-N 358.417 2.309 0 40 FEAB CN1CCN(c2cc(NC3CCC(C(F)(F)F)CC3)ncn2)CC1=O 663372347 ADEMVVVFVNUUOR-UHFFFAOYSA-N 357.380 2.288 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)nc(O)n3C2CC2)C1 665538089 DLOGRVRIHWHSCJ-INIZCTEOSA-N 372.469 2.163 0 40 FEAB CCN1C(=O)C[C@@H](CNc2nccnc2OC(C)C)[C@@H]1c1nccn1C 1775958974 PMAFIUZRJVGUNF-DZGCQCFKSA-N 358.446 2.019 0 40 FEAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 100354742 UPKLGNZIGILXLA-YJBOKZPZSA-N 364.357 2.131 0 40 FEAB biogenic O=C(O)[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)[C@H]1CCCO1 630424711 XWOMYZSPRLXXBU-IAGOWNOFSA-N 361.419 2.264 0 40 FEAB O=S(=O)(CCc1noc2ccccc12)N1CCO[C@H]2CCCC[C@@H]21 631767928 XSADMOWLGYVOFD-RDJZCZTQSA-N 350.440 2.344 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](C2CCOCC2)C1 579721716 BMONNEOLOQLPMS-RDTXWAMCSA-N 360.454 2.138 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@H](Cn3nnc4c(O)nc(C)nc43)C2)c1 12085023 MBNJARAFYLWKLS-CQSZACIVSA-N 366.425 2.096 0 40 FEAB CCn1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c(C)n1 12122481 YSNNQLVYGCQDNS-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB C[C@@H](CC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)n1ccnc1 19455269 UFXHMFGXZVQPKL-MGPUTAFESA-N 368.437 2.018 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4[nH]c5ccccc5c4C3)cc2[nH]1 19656645 UNTJNYXYTMAQPT-UHFFFAOYSA-N 368.418 2.085 0 40 FEAB CC(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19867929 ILVPPARKFQKKRO-UHFFFAOYSA-N 358.891 2.406 0 40 FEAB COC[C@H](NC(=O)Nc1c(C(=O)OC)cnn1C)c1ccc(Cl)cc1 590606748 ATEPQVSNHTUBPS-ZDUSSCGKSA-N 366.805 2.369 0 40 FEAB Cc1nc(CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)no1 1849316198 BVRGYRPKVMOZAL-UHFFFAOYSA-N 353.426 2.309 0 40 FEAB CCCCN(C)S(=O)(=O)NCc1cccc(C(=O)N2CCCCC2)c1 32437321 VANHRZMVYMEWDT-UHFFFAOYSA-N 367.515 2.379 0 40 FEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1 33023928 JCQSBBONADKVLV-UHFFFAOYSA-N 365.480 2.499 0 40 FEAB O=C(N1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1)C1(F)CC1 1614947688 JHONYGHKJPRUAM-KRWDZBQOSA-N 351.397 2.168 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@]2(O)CSCc3ccccc32)cc1 2087156988 ZSFASMUUINXFOI-IBGZPJMESA-N 357.431 2.338 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565542532 MPJSMOFHFDFCFT-GHTZIAJQSA-N 350.418 2.154 0 40 FEAB O=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccc(F)cc2)no1 16844320 HWHKWTFQBYNUBS-UHFFFAOYSA-N 352.325 2.122 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](NC(=O)c4ccncc4)CCO3)C2)o1 2055830490 STTJAMVUAUFNAV-OXQOHEQNSA-N 369.421 2.177 0 40 FEAB Nc1cc(N)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 5660105 VQMUHOYVFXIYCV-UHFFFAOYSA-N 359.333 2.270 0 40 FEAB CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 10423068 ACJJBSILHMRVKR-UHFFFAOYSA-N 355.325 2.484 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 40012011 REYGRNIMVQTNSU-LJQANCHMSA-N 373.416 2.105 0 40 FEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 40159505 IYUSQMMZTUVDPL-JTQLQIEISA-N 353.469 2.217 0 40 FEAB CCOC(=O)[C@@](NCc1ccccn1)(NC(=O)c1ccco1)C(F)(F)F 20432353 MHHAEVOCOFWPRW-OAHLLOKOSA-N 371.315 2.016 0 40 FEAB O=C(Nc1nnc(CCN2CCOCC2)s1)c1cccc(Cl)c1 20476885 MFJQWGGQCFQKEH-UHFFFAOYSA-N 352.847 2.319 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](N(C)Cc3ccc(C)o3)C2=O)cc1OC 32771925 IHVNERUZZOIJSE-OAHLLOKOSA-N 358.394 2.369 0 40 FEAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl 1941421 KLCDJIZMPBNTBI-UHFFFAOYSA-N 372.764 2.118 0 40 FEAB COC(=O)CCCNC(=O)c1cc(OC)c(Br)c(OC)c1 21902846 BOHVWMTVVLUSHP-UHFFFAOYSA-N 360.204 2.149 0 40 FEAB COc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)ccc1OC(F)F 41869920 UHMUKWXZYXMKTD-CQSZACIVSA-N 372.412 2.383 0 40 FEAB NS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 950359 NOKFMTSOMYBSIO-UHFFFAOYSA-N 365.411 2.264 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2 9419006 ZIBLVJPAVSRSNK-OOSNJVJTSA-N 361.401 2.002 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 23675283 AXLDDNHJDNYXSJ-UHFFFAOYSA-N 365.477 2.459 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1ccc(Cn2ccccc2=O)o1 25096957 GZQDHPGMHVACLR-UHFFFAOYSA-N 356.378 2.371 0 40 FEAB Cc1ccn2ncc(C(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)c2n1 106707547 VHZGCPYQDCJLMU-CYBMUJFWSA-N 357.364 2.325 0 40 FEAB CCOC(=O)c1ccc(CNC(=O)Cn2c(=O)sc3ccccc32)o1 1425613 FRCMWUYZWIPMIV-UHFFFAOYSA-N 360.391 2.149 0 40 FEAB COC(=O)c1sccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 1424631 BZAGYZWIHDHGEN-UHFFFAOYSA-N 357.395 2.135 0 40 FEAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1cc(F)cc(F)c1 56088013 RNKQDQHHOBRIDC-UHFFFAOYSA-N 364.377 2.083 0 40 FEAB O=C1CN(c2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2)CCN1 47973438 KFGYLQQLKQULHN-UHFFFAOYSA-N 367.405 2.036 0 40 FEAB CN1/C(=C\C(=O)COC(=O)c2cc[n+]([O-])cc2)C(C)(C)c2ccccc21 35470900 SKVSSHHONIVFGB-PDGQHHTCSA-N 352.390 2.357 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)/N=c2\cc[nH]n2C(C)C)c1C 103137046 XBCPBXRUUJCPAF-NONDHBLVSA-N 360.414 2.217 0 40 FEAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 69343119 XLCNNVPOLQZRTC-NXEZZACHSA-N 367.876 2.181 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CC=C(c2ccc(F)cc2)CC1 12623991 WCQZXBOYFRNQRH-ROUUACIJSA-N 368.408 2.393 0 40 FEAB O=C1CC[C@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CN1 48106580 STVFHYALTWJEQR-IBGZPJMESA-N 363.461 2.392 0 40 FEAB COC(=O)c1cc(OC)ccc1OCC(=O)NCc1ccc(OC)cc1 48264665 LKQTUNLGPRHVIF-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCc1ccc(OCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 27974147 IJPSOEBRASMQHY-CQSZACIVSA-N 363.435 2.338 0 40 FEAB COc1cccc(CNC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 48300402 HXWJZINLOIKWAK-UHFFFAOYSA-N 357.797 2.375 0 40 FEAB Cc1cc(NC(=O)COc2ccccc2)nc2nc(C(F)(F)F)nn12 12978913 MYZQJPXGRKIGIY-UHFFFAOYSA-N 351.288 2.469 0 40 FEAB CC(C)c1ccccc1NC(=O)CN1CCCC[C@@H]1CNS(C)(=O)=O 12974586 LDDKFUJKJOYSIN-OAHLLOKOSA-N 367.515 2.152 0 40 FEAB CC(C)C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 12993035 YVWCSELQQCGYPV-SFHVURJKSA-N 365.437 2.333 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3644887 KZRZFXIVCWFLPQ-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 13001617 TWGMJSHJWCVUKA-SNVBAGLBSA-N 366.361 2.195 0 40 FEAB C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)N1CCNC1=O 13000121 XOFPFOMXKOEKGS-AWEZNQCLSA-N 352.390 2.375 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 13136767 CXRSFBQIKMGEJL-ZIAGYGMSSA-N 371.437 2.188 0 40 FEAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc(F)c2)n2nnnc2N1 17045469 UZFMGQPYLLCYED-KRWDZBQOSA-N 364.384 2.418 0 40 FEAB CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O 5207456 JTVMSWXIZQNJBS-CYBMUJFWSA-N 362.407 2.186 0 40 FEAB O=C1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CCN1 8708394 LTGLKHGZSFEAAY-UHFFFAOYSA-N 366.446 2.232 0 40 FEAB CN(Cc1cc(=O)n2ccsc2n1)Cc1nc(O)c2ccccc2n1 6475734 ZYCBMPLCNHVPQI-UHFFFAOYSA-N 353.407 2.037 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1C 14189518 NZOXXBHJVXYUKR-HUUCEWRRSA-N 368.499 2.275 0 40 FEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2)CC1 14245890 HSSLYMMMAIQHJR-UHFFFAOYSA-N 366.417 2.333 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NC)c1 5693637 XUMQFJQPNKJZSY-UHFFFAOYSA-N 370.544 2.234 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679877 UXIZEBUOYSDUNY-SGTLLEGYSA-N 361.467 2.233 0 40 FEAB O=C(NC1=NCCS1)c1ccc(CS(=O)(=O)c2ccccc2)o1 14818025 VPPJHDITAXMIMW-UHFFFAOYSA-N 350.421 2.086 0 40 FEAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 6859764 LDDPEFQPEKSDPY-LBPRGKRZSA-N 363.414 2.184 0 40 FEAB CCC(C)(C)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 7249436 IDPFPZUOEAKECL-UHFFFAOYSA-N 351.428 2.063 0 40 FEAB COC(=O)Cn1cnc2c(sc3nc(N4CCCCC4)cc(C)c32)c1=O 71279688 MLZZOILAMBMJBV-UHFFFAOYSA-N 372.450 2.478 0 40 FEAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 7640234 FWIAZZCSJSATKZ-UHFFFAOYSA-N 355.369 2.321 0 40 FEAB COc1ccc(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1O 179565307 VSRKMAGNLOJMET-NSHDSACASA-N 361.364 2.179 0 40 FEAB Cc1nnnn1-c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 71281483 XVXBJJHPXNXASF-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB CNc1nc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cs1 83884237 NDTAYIWBMOORSP-UHFFFAOYSA-N 373.526 2.123 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@H](CC(=O)N3CC(F)(F)C3)C2)cs1 306145020 ZVBWCICJZAEJBQ-CQSZACIVSA-N 367.425 2.073 0 40 FEAB COc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)O)cc1OC 95351576 NNNFBRMINCAVNV-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CN1CCN([C@@H](c2ccccc2Cl)c2nnnn2Cc2ccco2)CC1 20141651 GNSKHINEUVTFHV-KRWDZBQOSA-N 372.860 2.305 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22230013 USSXMQLLBKDZMT-OAHLLOKOSA-N 354.472 2.025 0 40 FEAB O=c1/c(=C/c2ccccc2O)sc2nc3cc(Br)cnc3n12 408721324 OUJYFKZBSXPJRZ-XGICHPGQSA-N 374.219 2.320 0 40 FEAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 35312726 IYKZNBVBOASGMT-UHFFFAOYSA-N 374.447 2.269 0 40 FEAB COc1cc(CN(C)C(=O)c2cc3n(n2)CCO3)ccc1OC(F)F 515095481 LFOMYQNMOUCDNT-UHFFFAOYSA-N 353.325 2.158 0 40 FEAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC2CCCC2)c1 217445287 DQWKJWKTBJFYTL-AWEZNQCLSA-N 368.455 2.197 0 40 FEAB Cc1cn(-c2cccc(NC(=O)[C@H]3COCCN3C3CCCC3)c2)c(O)n1 526024491 VJYSRASQIVXSHX-GOSISDBHSA-N 370.453 2.468 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccs2)CC3)C[C@H](C)O1 72335449 MSYXQYXYEJABPD-STQMWFEESA-N 360.483 2.416 0 40 FEAB COCCS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCC3)cc1 529806561 WJCFYUUQVAPUHH-UHFFFAOYSA-N 361.419 2.294 0 40 FEAB O=C(CNCc1cccnc1)Nc1ccc(C(=O)N2CCCCC2)cc1 35311547 HYPQWWYSFZMCEK-UHFFFAOYSA-N 352.438 2.436 0 40 FEAB COC[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218097028 BHPOCJHVOWCPCE-FHWLQOOXSA-N 361.463 2.226 0 40 FEAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cn1 72243081 VXYYRALIDKZADA-UHFFFAOYSA-N 361.423 2.127 0 40 FEAB Cc1c(OCC(=O)Nc2ccc(Br)cc2)c(=O)ccn1C 44891342 MBWWNWXXVRZTCU-UHFFFAOYSA-N 351.200 2.474 0 40 FEAB Cc1cc(N2CCC(NC(=O)c3ccc(Cn4ccnc4)cc3)CC2)n[nH]1 225750029 OEMBEJAELQCJND-UHFFFAOYSA-N 364.453 2.362 0 40 FEAB NC(=S)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397361 RNFQANDZNZPSLE-UHFFFAOYSA-N 370.825 2.152 0 40 FEAB Cc1cnc(N2CCC3(CC2)CN(C(=O)c2cccs2)CCO3)nc1 96158930 HKWNVMWSDOQHEM-UHFFFAOYSA-N 358.467 2.358 0 40 FEAB Cc1noc(C)c1-c1cc(C2CCN(S(=O)(=O)N(C)C)CC2)ccn1 257257827 KRFWDPASOXDLBQ-UHFFFAOYSA-N 364.471 2.339 0 40 FEAB CCCn1ccc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)n1 257343290 ZSHKHWAIMTZZMK-UHFFFAOYSA-N 354.414 2.061 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1F 252502805 UTFQHZJELQTYNM-SFHVURJKSA-N 369.396 2.414 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2c(C)oc3c2CCCC3)n1 257206136 BCAIRPRIOWSESN-HNNXBMFYSA-N 357.410 2.485 0 40 FEAB O=C(c1cccc([C@H]2CCCN(CC3CCOCC3)C2)n1)N1CCOCC1 257203195 APABGEFOONYNSJ-SFHVURJKSA-N 373.497 2.160 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(CO)C(=O)O)cc1 252515078 GXOFYNGKDGJTSU-NUJGCVRESA-N 364.394 2.137 0 40 FEAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br 262682184 TUWAWMJAUZZJEF-SNVBAGLBSA-N 366.208 2.216 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@@H]2CN3C(=NC2=O)N(N)c2ccccc23)c1 618255874 AVVDKCCAKHEUKA-CQSZACIVSA-N 363.421 2.345 0 40 FEAB COc1ccc(-c2noc(-c3nnn([C@H]4CCNC4)c3C(F)F)n2)cc1 629677189 VOSSARFNKHSTES-JTQLQIEISA-N 362.340 2.476 0 40 FEAB CCC[C@@H](O)[C@H](CO)NC(=O)CCCc1cccc(Br)c1 665642865 ONDXFHHLVYWHPX-LSDHHAIUSA-N 358.276 2.410 0 40 FEAB COC[C@@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)[C@@H]1CCCO1 668302973 VVVSFWSFQOHRPC-OLZOCXBDSA-N 372.215 2.071 0 40 FEAB C[C@@H](O)[C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 679585305 BWQQUBVWIMTPBO-UKRRQHHQSA-N 354.406 2.212 0 40 FEAB CC(=O)N1CCCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1 96148165 QZGMBMWPPYPKSQ-UHFFFAOYSA-N 352.438 2.327 0 40 FEAB CC(C)C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44096890 YLEMYSFHWAPXMJ-UHFFFAOYSA-N 369.347 2.455 0 40 FEAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N2CCCC[C@H]2C)c1=O 57486044 CMLSMJKGJWRHRN-CYBMUJFWSA-N 363.483 2.282 0 40 FEAB CN1CCO[C@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 95458720 CVKBYVSGXUSAHG-MRXNPFEDSA-N 363.458 2.023 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 100220929 JDDJRVAFESPPHC-YRYYUTHUSA-N 364.445 2.076 0 40 FEAB CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595081 VBNUOBSESSBXBQ-MISYRCLQSA-N 360.498 2.095 0 40 FEAB NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114168 LJNWLRACDPYRSF-UHFFFAOYSA-N 363.352 2.073 0 40 FEAB COc1ccc(-c2cc(C(=O)NCCCn3ccnc3C)n(C)n2)cc1 19288144 KGKZFDADBADKNR-UHFFFAOYSA-N 353.426 2.421 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(O)(c2cccnc2F)CC1 19577683 UFTAQJRGJKFZGO-UHFFFAOYSA-N 360.433 2.014 0 40 FEAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1O 8163616 XOWQOONRXJULAN-NTEUORMPSA-N 362.407 2.060 0 40 FEAB OC[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 899938 JKCVMTYNARDGET-HOTGVXAUSA-N 358.390 2.146 0 40 FEAB endogenous,in-man COc1ccc(CCC(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)cc1 225400811 DITAVPKNISXGFJ-KRWDZBQOSA-N 370.453 2.164 0 40 FEAB CO[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)C[C@H]1c1cnn[nH]1 623031581 MRZCBWSRGMHNBE-DOTOQJQBSA-N 358.417 2.397 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)c1 5877499 HVZDYONDDTYNFJ-RDTXWAMCSA-N 362.451 2.239 0 40 FEAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850019 QCVXGLJWECAQPD-GASCZTMLSA-N 353.401 2.097 0 40 FEAB CCOC(=O)c1sc2nc(C)nc(NCCN3CCOCC3)c2c1C 25265330 IGHYZVFKVWKWFT-UHFFFAOYSA-N 364.471 2.229 0 40 FEAB O=C(Nc1ccc(N2CCCC2)nc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31604850 MOUIYIIDFMHNFZ-OAHLLOKOSA-N 365.437 2.064 0 40 FEAB O=C(c1cccc(Cl)n1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552592 OEUSFYPUPRGBFL-UGSOOPFHSA-N 373.844 2.401 0 40 FEAB O=C(CSc1nnnn1[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc(C(=O)O)cc1 4776364 OIROBBRJWJTYBR-SCDSUCTJSA-N 371.422 2.239 0 40 FEAB Cn1c(=O)n(C)c2cc(/C=C/c3cc(C(F)(F)F)nc(=O)[nH]3)ccc21 10335834 QKXMAZSYIJDJCR-HWKANZROSA-N 350.300 2.150 0 40 FEAB Cn1c(=O)c2c(NC(=O)c3ccc4ccccc4c3)ccnc2n(C)c1=O 13011025 XEERFYALJHKSDN-UHFFFAOYSA-N 360.373 2.038 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 13806280 ZTFNTHMIAJGZCS-UHFFFAOYSA-N 363.373 2.336 0 40 FEAB CCN1Cc2cccnc2C2(CCN(C(=O)c3cc(OC)no3)CC2)C1 2055793248 FWPXTGNJGRXHBG-UHFFFAOYSA-N 356.426 2.088 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)COc2cc(C)cc(C)c2C)CC1 22573265 BAIPOPRLSYKVRI-QGZVFWFLSA-N 350.459 2.126 0 40 FEAB Cc1csc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)c1 575613880 XLQTXECULOPMAR-UHFFFAOYSA-N 369.443 2.127 0 40 FEAB Cc1noc(C)c1CN1CCN(c2ccc(NC(=O)C3CC3)nc2)CC1 2298047667 XMFDVGLYUVTKHW-UHFFFAOYSA-N 355.442 2.357 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 50114329 XNQMXJTVZLQCFE-UHFFFAOYSA-N 356.401 2.296 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1C 30750914 MMCRNAGSUMNHLB-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB CN1CCN(Cn2cc(CCC(=O)N3CCCC3)c3ccccc32)CC1 20624405 OIPHUUQRGSQLOX-UHFFFAOYSA-N 354.498 2.401 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 32306292 FXJAMHPILBPGNP-UHFFFAOYSA-N 363.421 2.301 0 40 FEAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NC2CCCCCC2)c2ccccc21 101660762 HKKIBZZNSRPOCX-QGZVFWFLSA-N 357.454 2.438 0 40 FEAB CC(C)C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914254 IJTZOJNDZDENHO-JTQLQIEISA-N 364.261 2.214 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 4046924 ZSGTYCIHRTVJIN-QFBILLFUSA-N 366.373 2.494 0 40 FEAB biogenic Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119246 CHRUSLUFJDYGSM-KBPBESRZSA-N 364.405 2.231 0 40 FEAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 8076732 RHBYATJRNQRDEH-UHFFFAOYSA-N 358.419 2.464 0 40 FEAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 8923947 MBYREOYCAGRRAD-UHFFFAOYSA-N 361.394 2.023 0 40 FEAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2Cl)CC1 22671001 CZQRYXZQEKZEKU-SNVBAGLBSA-N 373.236 2.229 0 40 FEAB COc1ccccc1CN(C)C(=O)Cn1nc(-c2cccs2)oc1=O 53024532 HWVSAFYPTVKDIW-UHFFFAOYSA-N 359.407 2.232 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 8749580 UFMULZQQOFHFHR-KBPBESRZSA-N 360.483 2.216 0 40 FEAB CS(=O)(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 23628507 QRKIKUVGOVVQJO-QGZVFWFLSA-N 359.451 2.490 0 40 FEAB CC(C)n1cnnc1SCCOc1ccc(S(=O)(=O)N(C)C)cc1 24417360 QHRZQHOIOZUXSR-UHFFFAOYSA-N 370.500 2.280 0 40 FEAB COC(=O)c1oc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C 25924965 PQTPQDUEJUAWLB-LBPRGKRZSA-N 366.439 2.215 0 40 FEAB Cc1ccccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27555435 PAMTVULKNPNTBR-CYBMUJFWSA-N 359.451 2.032 0 40 FEAB CCN1CCN(CCCNC(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 58196948 KXDOPSCYCAMUMK-UHFFFAOYSA-N 357.502 2.030 0 40 FEAB Cc1cccnc1CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100848805 NDBYWUJKASJEOX-XYJFISCASA-N 369.465 2.372 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1 58182119 GFVBQNDZVYIXPN-KXBFYZLASA-N 368.433 2.414 0 40 FEAB CS(=O)(=O)CCNC(=O)Nc1ccccc1CN1CCc2ccccc21 58161050 OFEIKSBOZLKQIP-UHFFFAOYSA-N 373.478 2.415 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 58195486 HWSAWISYAGZHPJ-MRXNPFEDSA-N 366.389 2.044 0 40 FEAB Cc1ccc(-c2cnc(CCC(=O)NCCCN3CCOCC3)o2)cc1 27689611 KWFHAVRVKYBFIC-UHFFFAOYSA-N 357.454 2.421 0 40 FEAB CNS(=O)(=O)Cc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 58203199 QCNLJQORHNJTPX-CQSZACIVSA-N 361.467 2.296 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)N(C)C)cc1 58209587 DCQDKKOGUHMWSG-CQSZACIVSA-N 354.410 2.166 0 40 FEAB O=C1CC[C@H](NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CN1 72062900 NAOJSOPKGZPNEC-LBPRGKRZSA-N 367.434 2.004 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 48365599 QBEAHOBXGUXZBJ-UHFFFAOYSA-N 374.296 2.047 0 40 FEAB Cc1nn2c(=O)cc(CSc3ncn(-c4ccccc4)n3)nc2s1 48345550 FVOROZLSCMUPOL-UHFFFAOYSA-N 356.436 2.332 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 12937053 ZBIYQXZOLSCOHG-GOSISDBHSA-N 374.462 2.238 0 40 FEAB O=C(COc1ccccc1F)NCc1ccc(CN2CCOCC2)cc1 12996434 PWONRBJPOWRDMR-UHFFFAOYSA-N 358.413 2.353 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 8777309 CLZCRNPTIWWKCB-UHFFFAOYSA-N 363.826 2.326 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCCC2)cc1 9742500 XXXHUCYGHWTTFY-HNNXBMFYSA-N 350.488 2.405 0 40 FEAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC[C@H](O)C2)cc1 70870999 OJLHLDHRPYMCCN-KRWDZBQOSA-N 363.417 2.291 0 40 FEAB CN(CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1C(N)=O 8852068 IFRNSWLHSJBXHI-UHFFFAOYSA-N 361.829 2.388 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 8884116 SZSGAPYEYKMQQQ-LBPRGKRZSA-N 355.847 2.260 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(c3ccc(F)cc3)=NC2=N1 4279573 HIOSLKKWFNXVDX-INIZCTEOSA-N 367.359 2.402 0 40 FEAB Cn1cccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8876821 IDRBFVDPCUUZRD-UHFFFAOYSA-N 355.394 2.245 0 40 FEAB CCN(CC(=O)NC1CCCC1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 14112356 XZZUEPRMHBBNHB-UHFFFAOYSA-N 362.861 2.457 0 40 FEAB CCOC(=O)C1CCN(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)CC1 14142016 YULHIRARAKFBTN-AWEZNQCLSA-N 359.426 2.076 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)NC1CCCC1 6539495 HMTKTJOGOMYCJR-CYBMUJFWSA-N 357.410 2.485 0 40 FEAB CCOc1ccc(C(=O)CN2C(=O)COc3ccccc3C2=O)cc1F 6719569 SNOSBPBXQYHZLH-UHFFFAOYSA-N 357.337 2.469 0 40 FEAB COc1ccc2c(CC(=O)N[C@H](C)C(=O)NCc3ccco3)coc2c1 68018616 VSOVUINLAGIZJS-GFCCVEGCSA-N 356.378 2.398 0 40 FEAB Cc1cc([C@](C)(O)CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)o1 81081766 HKUZPQYOJDEVLG-CRAIPNDOSA-N 362.430 2.301 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1OC 8134081 CXFZKQGIOXCCOF-AWEZNQCLSA-N 356.422 2.447 0 40 FEAB Nc1nc(N)nc(COC(=O)CSCc2ccc(Cl)c(Cl)c2)n1 9465083 SVSCQGCNCXOCEZ-UHFFFAOYSA-N 374.253 2.319 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1 8318005 HHOOGEIFGRPCFT-NSHDSACASA-N 353.850 2.181 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1C 8508169 VMXGSUUZQDFEIZ-UHFFFAOYSA-N 350.484 2.327 0 40 FEAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C2OCCO2)cc1 84383638 XJGBBGVDCNCPEA-PMQIGOLDSA-N 370.449 2.346 0 40 FEAB Cc1cc(OCC(=O)N2CCOC[C@@H]2c2ncon2)cc(C)c1Cl 95995339 NXCIYTQSFFEDRY-CYBMUJFWSA-N 351.790 2.319 0 40 FEAB COC(=O)Cc1csc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 89643251 SEWFDWSSIHBAHV-UHFFFAOYSA-N 354.453 2.301 0 40 FEAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCC2=O)c1 89779462 BMWUDHUZPHPBHO-QGZVFWFLSA-N 369.465 2.334 0 40 FEAB O=C(NCC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 65251119 KZDIJSJONFALCJ-UHFFFAOYSA-N 350.382 2.335 0 40 FEAB O=C(Nc1ccccc1)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1 35310822 YYBJKEYAJZDMOA-UHFFFAOYSA-N 364.340 2.367 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc1 72846739 SINAYOJMBQPJSR-AWEZNQCLSA-N 362.451 2.069 0 40 FEAB CC(C)[C@H]1CN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 537608268 QIENWUHQTSGUFX-QZTJIDSGSA-N 359.470 2.102 0 40 FEAB Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3CN(C(=O)c4cc(C)no4)C[C@H]31)N2 72327519 XHJINLRVJSTNAY-XBHMSOGKSA-N 366.421 2.325 0 40 FEAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218101391 RBAFYCGFHZOGBJ-QYZOEREBSA-N 361.463 2.369 0 40 FEAB Cc1cccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3N)CC2)c1 70461876 KMVUAFLXJALLCF-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)[C@H](O)c2ccc(O)cc2)c1 40162336 LHMBBLYSXFOQBR-MJWYBRSISA-N 359.422 2.046 0 40 FEAB O=C(O)c1cc(Cl)cc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1 572152256 FNVQQUFARCGIRF-SNVBAGLBSA-N 359.831 2.228 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222416533 SSTKAXFUAOPGCR-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB CCN1C[C@@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)C(C)C)C2 96036168 CZPGAAIVJIVEAQ-LJQANCHMSA-N 363.527 2.287 0 40 FEAB CS(=O)(=O)N1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 96078869 BBAABMWFAOTZOA-UHFFFAOYSA-N 357.479 2.395 0 40 FEAB O=C(c1ccc(F)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240872 ZJZPKGFILMYWPE-KRWDZBQOSA-N 360.429 2.317 0 40 FEAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 332892341 GSWMBNYWFHWZNM-LPHOPBHVSA-N 372.513 2.481 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)cs1 248025341 KHAAYWPZLLQUAU-OAHLLOKOSA-N 359.451 2.437 0 40 FEAB CN(C)c1cc(N2CC3(C[C@H](OCc4cccnc4)CS3)C2)ncn1 248148803 WQMRUPKUKPVACZ-HNNXBMFYSA-N 357.483 2.219 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](N(C)C3CCOCC3)CC2)s1 257264472 LUNHWGIIPOIRQQ-HOTGVXAUSA-N 352.500 2.133 0 40 FEAB Cc1cc(N)cc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257289977 QAZHTHBDDSQZEF-OAHLLOKOSA-N 359.430 2.011 0 40 FEAB Cc1nc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c(C)s1 278410312 YVYDPBBVMAVVSX-UHFFFAOYSA-N 357.443 2.185 0 40 FEAB CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@H](C2CCCCC2)C1 664996423 PNAQOFLAPMGSCZ-HOTGVXAUSA-N 359.536 2.316 0 40 FEAB O=C(NC[C@@H]1CCCCN1C1CC1)c1nc(N2CCCC2)ncc1Cl 683399830 AOSQHCOETWHIAZ-AWEZNQCLSA-N 363.893 2.477 0 40 FEAB Cc1cnc(O)n1-c1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1 1645214842 YOHNLMAGNWYHBX-GFCCVEGCSA-N 351.410 2.444 0 40 FEAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(Cl)sc1Cl 643972424 QIKKPJDCWBCZIZ-NSHDSACASA-N 374.267 2.309 0 40 FEAB COc1ccc2cccc(CC(=O)N3CCNC[C@H]3c3nccn3C)c2c1 644129788 UVOIKMUYROJJNZ-IBGZPJMESA-N 364.449 2.298 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 575406421 PBDXYCXHFSOCCZ-AWEZNQCLSA-N 354.401 2.070 0 40 FEAB CCS(=O)(=O)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1 585095256 KPULTGRTKJRZHY-CQSZACIVSA-N 367.446 2.273 0 40 FEAB Cc1ccsc1CN1Cc2cccn2C[C@H](CCNS(C)(=O)=O)C1 585095100 FRTJRGMOJDSUOA-OAHLLOKOSA-N 367.540 2.429 0 40 FEAB O=C(CN1CCCc2cc(C(F)(F)F)ccc21)N[C@@H]1CCCCNC1=O 52584296 WLMISMBKRPHAQT-CQSZACIVSA-N 369.387 2.243 0 40 FEAB C[C@@H](c1ccccc1)N1CCN(c2nccc(N3CCOCC3)n2)CC1 882811500 XPEDFOZYRXKCTH-KRWDZBQOSA-N 353.470 2.196 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@](CO)(Cc2ccccc2C)C1 1615086133 YIMPPMGUNTXXGM-OAQYLSRUSA-N 370.449 2.235 0 40 FEAB COc1ccc([C@H](NC(N)=O)c2cc3c(cc2OC(C)=O)OCO3)cc1 5712272 QGLOJRJQGKPCAI-KRWDZBQOSA-N 358.350 2.107 0 40 FEAB COc1ccc(OC)c(CC(=O)N[C@@H](C)Cn2nnc3ccccc32)c1 12145030 ZOQDUNLAZFDRFR-ZDUSSCGKSA-N 354.410 2.196 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)c1 12472048 NLAMHIUJZQNWFR-UHFFFAOYSA-N 372.450 2.446 0 40 FEAB O=C(N[C@H]1CCCc2nc(N3CCOCC3)ncc21)c1ccccc1F 13266854 BYNNEUWDSPITBC-INIZCTEOSA-N 356.401 2.260 0 40 FEAB O=C(COCC(=O)N1CCCCCC1)NCCc1ccc(Cl)cc1 13942270 JTXVPDHSQSNCRL-UHFFFAOYSA-N 352.862 2.418 0 40 FEAB CC(=O)c1ccc(OC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 16705379 WHTWJRIIINUARN-UHFFFAOYSA-N 367.448 2.262 0 40 FEAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CC2)C1 19703524 CHXUCIPXYARGOO-FQEVSTJZSA-N 353.422 2.259 0 40 FEAB Cn1cc(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)cn1 19716045 SDGRTAQJZGMSSI-GOSISDBHSA-N 362.499 2.316 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)OCc2cc(-c3cccs3)on2)CC1 9987232 OBZXNSMVYKXCOA-UHFFFAOYSA-N 370.452 2.118 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C1 1888901075 WQSXFPCEFKUQEH-IYBDPMFKSA-N 373.478 2.305 0 40 FEAB COC(=O)C1(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)CCCCC1 24837181 NMKKSXRWNLWRIO-UHFFFAOYSA-N 365.426 2.247 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cnc[nH]3)CC2)CN1c1cccc(F)c1 2037840655 PSHGEUZGPVFCRB-LJQANCHMSA-N 358.417 2.337 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2csc3nc(-c4ccccc4)cn23)CC1 5146722 ZWOMXLJHMOGGDU-UHFFFAOYSA-N 368.462 2.296 0 40 FEAB C[C@H](NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12)c1ccccc1 10254205 ZYWFIPZMOJCUSB-NSHDSACASA-N 351.362 2.348 0 40 FEAB Cc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3Oc2ncccc2F)cn1 2055746161 SEFQZTVLIPYGHS-YESZJQIVSA-N 357.385 2.375 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccccc1 2055745569 KFBMDCDOEMHJPY-CQSZACIVSA-N 365.389 2.485 0 40 FEAB COc1cccc(CN2C[C@@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)c1 2055747275 SHGLDIHKTZPRET-CGTJXYLNSA-N 368.437 2.103 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cc1Cl 225717332 JWRYCNXPBQWEEE-UHFFFAOYSA-N 358.825 2.233 0 40 FEAB CCS(=O)(=O)N1CCC(NCc2cc(Br)cs2)CC1 20475173 RUHZSUAWOAJIHV-UHFFFAOYSA-N 367.334 2.414 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1C 32097074 ALIOGSPFEGSVRQ-UHFFFAOYSA-N 374.422 2.204 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCCSCc2ccsc2)cc1 32781547 IPXHVBUPKVYVPF-UHFFFAOYSA-N 370.521 2.319 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 32736125 HORRJVPGRUYELL-UHFFFAOYSA-N 353.422 2.242 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2cc(CC)ccc2[nH]c1=O 4133432 WBNQKKSNTTTZEM-UHFFFAOYSA-N 360.527 2.349 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 6879620 LZRAKBCNJPAPOP-ZROIWOOFSA-N 364.423 2.266 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2736576 HGLSCHYFNVENJT-UHFFFAOYSA-N 366.826 2.346 0 40 FEAB O=S(=O)(NCc1cccnc1-n1cccn1)c1ccc2c(c1)CCC2 41626851 JNPGSNLTSMQQKU-UHFFFAOYSA-N 354.435 2.235 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccccc3)CC1)C2=O 22800361 HYPHHCXMCYBTHW-UHFFFAOYSA-N 370.497 2.262 0 40 FEAB C[C@H]1C[C@H](N2CCN(Cc3ccc(Br)s3)CC2)C(=O)O1 53907086 QQYSCXOTKFXHGX-JQWIXIFHSA-N 359.289 2.332 0 40 FEAB CC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101344466 UDEGEESKVKSFDT-NVXWUHKLSA-N 352.321 2.321 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3C[C@@H](O)C[C@H]3C(N)=O)c2c1C 108920655 UVJOJMKRWKNJJU-QWRGUYRKSA-N 374.491 2.462 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1 916145 BJDIILQRJDXVGH-ZDUSSCGKSA-N 363.439 2.274 0 40 FEAB CN(C)C(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1 1005863 HTIZLVNWAAHECA-UHFFFAOYSA-N 350.469 2.290 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccccc2Br)s1 105740218 MOCOFQQLERLAHA-WNEGCBGQSA-N 366.280 2.423 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)c2cn3c(C)cccc3n2)cc1 12560070 QYAFFSWDLFUZON-UHFFFAOYSA-N 352.394 2.362 0 40 FEAB COc1cc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)ccc1O 47894425 JPCGGFWXKLKATJ-UHFFFAOYSA-N 356.382 2.252 0 40 FEAB CN(C)C(=O)COc1ccc(NS(=O)(=O)c2ccccc2F)cc1 26549025 BGPCHLWTFMADAK-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)N[C@H]2CCCc3c2cnn3C)cc1 58192073 ZOEANZBGBJASQA-INIZCTEOSA-N 371.441 2.134 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)N[C@@H]1CCc2ccccc21 45596146 VKPAXDYORGEFIZ-GOSISDBHSA-N 352.438 2.405 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3s2)NC(=O)NC1 12979803 IOULOUJUEUQECD-UHFFFAOYSA-N 360.391 2.188 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 13070161 SZWXOVDXCNIARR-JTQLQIEISA-N 367.345 2.356 0 40 FEAB COCCNC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 6008268 DIGNRBXJNDABRA-UHFFFAOYSA-N 371.260 2.089 0 40 FEAB CC(=O)N[C@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C 14141153 MWBQKHFSICSDKB-DOMZBBRYSA-N 352.504 2.474 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccco1 4516192 YWQQBWVYWUAXDD-UHFFFAOYSA-N 351.432 2.274 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3nccnc3c2)c1 5421540 ZRFQJOOMLOJRAI-UHFFFAOYSA-N 367.361 2.443 0 40 FEAB CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnc(CC)o1 15081612 WKOJGBBQNKCINC-UHFFFAOYSA-N 367.369 2.429 0 40 FEAB O=C(NC1CCCC1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 67126426 VAMWDHZDDJFFPM-DLBZAZTESA-N 353.422 2.319 0 40 FEAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 7137252 JAOGZYCXDQKIJB-AWEZNQCLSA-N 353.374 2.315 0 40 FEAB C[C@H](C(=O)N1CCC(=O)Nc2ccccc21)n1nnc(-c2ccccc2)n1 80324257 IUSCIUIWFKBQND-CYBMUJFWSA-N 362.393 2.277 0 40 FEAB C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2ccnc2)cc1 7990232 VUMNJMBKOQDSPT-AWEZNQCLSA-N 359.393 2.339 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccccc2c1=O 8132832 STAOWBGIKAQWAL-CYBMUJFWSA-N 362.389 2.160 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 408601684 GLIYEPCIZSVONB-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCNC1=O 8313144 OCOLWCJAZQHXDM-LLVKDONJSA-N 357.439 2.177 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)N(C)C)cc1 17835132 IRFAHXWZJRQTGD-UHFFFAOYSA-N 370.405 2.258 0 40 FEAB CCS[C@@H](C)c1noc(CN2CCN(C(=O)N(C)C)CC2(C)C)n1 95464640 LSSHUVBALPZBFA-LBPRGKRZSA-N 355.508 2.462 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCCc3ccccc32)Oc2ccccc21 20040933 CMCGMUGTTUBMCC-SFHVURJKSA-N 372.446 2.193 0 40 FEAB C[C@@H](NCCNC(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 75094263 NMJXZMZLPRGMEP-WIYYLYMNSA-N 367.493 2.468 0 40 FEAB Cc1noc(C)c1CNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 60064135 GGEMFKMRGIXKSD-UHFFFAOYSA-N 365.455 2.250 0 40 FEAB Cn1cc(-c2ccc3nnc(C4CCN(Cc5cccnc5)CC4)n3n2)cn1 306131623 KKIHNXJDSQSAKD-UHFFFAOYSA-N 374.452 2.299 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccncc2C(N)=O)C1 519721130 HGPDITSYSPDWCW-SNVBAGLBSA-N 353.348 2.317 0 40 FEAB COc1ccc(CNC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1 35316200 USAYGJGOXOZWOH-UHFFFAOYSA-N 366.373 2.238 0 40 FEAB Cc1ccccc1CN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080482 WUPILCQSXMAJOT-RBUKOAKNSA-N 370.474 2.009 0 40 FEAB COc1ccc(CNC(=O)N2CCC3(CC2)OCCS3)cc1OC 70637414 ZACKQKAXOVNNOJ-UHFFFAOYSA-N 352.456 2.469 0 40 FEAB Cc1cc(C)n(-c2ccc(COC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)n1 36759101 GJXFILMEQXQTLX-MRXNPFEDSA-N 362.451 2.357 0 40 FEAB COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 34087028 KBPBMDAPIDSJRH-ACJLOTCBSA-N 373.453 2.208 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C(N)=O 223282417 NXKOIXXCTAIHKE-UHFFFAOYSA-N 351.453 2.230 0 40 FEAB CCOc1ccccc1NC(=O)Cn1cc(-c2nc(CC)no2)ccc1=O 49007535 FRSZHVGTSSUPCW-UHFFFAOYSA-N 368.393 2.498 0 40 FEAB Cc1ccnc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)c1 223349499 BHSLJDWAIPAKFW-AWEZNQCLSA-N 353.378 2.248 0 40 FEAB Cc1c(C(=O)N2C[C@H]3[C@@H](N)CCC[C@H]3C2)nnn1-c1ccc(F)c(F)c1 573566113 XHFKNGSXQBHIOT-GHJWDPDVSA-N 361.396 2.053 0 40 FEAB O=c1cc(CNc2ccccn2)nc2n1CCCN(Cc1ccco1)C2 96197683 WTNAWCWZRCQOLP-UHFFFAOYSA-N 351.410 2.249 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCC(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261653 GUNOQAGWEGQYIJ-GQIGUUNPSA-N 360.502 2.493 0 40 FEAB CCN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1cnn(C)c1)CC2 96199994 UCGZUGHCSCTBTG-SFHVURJKSA-N 353.470 2.186 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCCn2cnc(CN3CCCC3)c2C1 96259304 MDKCOADFYVVFDR-UHFFFAOYSA-N 368.437 2.254 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21)c1ccncc1 247406962 OPKOBZPNEZVJEF-GPMSIDNRSA-N 373.403 2.237 0 40 FEAB COCCN1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@]2(c2ccccc2)C1 247831767 HSYMUKXLXUKNHH-NQIIRXRSSA-N 353.466 2.377 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCc2cccnc2)n1 257318013 VMDAGIRFRMIARK-LJQANCHMSA-N 352.438 2.409 0 40 FEAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCCN2S(C)(=O)=O)n1 257248113 JCDUYPQKDFCRQQ-OAHLLOKOSA-N 361.423 2.247 0 40 FEAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC[C@H]2CCCO2)n1 260717680 OYJAPHZIVGSNHZ-QWHCGFSZSA-N 365.503 2.329 0 40 FEAB O=C(NCC[C@@H]1COc2ccccc2O1)N[C@@H]1CCO[C@H]1c1ccncc1 623776357 FCRMHSBHBRPPRT-MDZRGWNJSA-N 369.421 2.441 0 40 FEAB COc1ccccc1C(=O)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 370691284 UJUJBDBQXYGEOA-JTQLQIEISA-N 354.332 2.341 0 40 FEAB CNc1ncnc2cc(C(=O)N3CCC[C@H](CC(C)(C)C(N)=O)C3)ccc12 615677193 FQMSVAZPGCTHGZ-CYBMUJFWSA-N 369.469 2.425 0 40 FEAB O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H]1CCCO[C@H]1c1cc[nH]n1 644604868 YLSMVLSZWLTZAD-USXIJHARSA-N 354.410 2.041 0 40 FEAB CCS(=O)(=O)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1 585095255 KPULTGRTKJRZHY-AWEZNQCLSA-N 367.446 2.273 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 585107329 PVYRJHRFGHIXBJ-MAUKXSAKSA-N 363.408 2.120 0 40 FEAB Cc1c(C(=O)Nc2cccc3c(O)nccc23)cnn1-c1ccc(O)nn1 1624045134 XCRNCUIUJHXISM-UHFFFAOYSA-N 362.349 2.182 0 40 FEAB COCc1nc2nc(SC)nn2c(N)c1-c1ccc(OC)c(OC)c1 13638126 KSSPGVNTBLBKID-UHFFFAOYSA-N 361.427 2.259 0 40 FEAB Cc1cccc2sc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 13789891 BCJJFOQUXMDMPI-NSHDSACASA-N 353.469 2.215 0 40 FEAB Cc1cccc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 16040837 CGJUPDFDFDIZAK-GOEBONIOSA-N 367.474 2.291 0 40 FEAB Cc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19234625 PZPPUCRQOJDJDK-QGZVFWFLSA-N 350.466 2.332 0 40 FEAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 19532941 OPNBOPCKFRPHOM-LJQANCHMSA-N 366.465 2.427 0 40 FEAB Cc1sc2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)[nH]c(=O)c2c1C 19561632 SDKCOGMZOLPBGM-LBPRGKRZSA-N 369.450 2.411 0 40 FEAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(C(=O)NCc3ccccn3)cc2)C1 19712299 ZWUSTJPUZPUCPL-MJGOQNOKSA-N 353.422 2.368 0 40 FEAB Cc1nc(C2CCC2)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888909538 TUCHPFIVZXQKBL-UHFFFAOYSA-N 350.430 2.045 0 40 FEAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(Cc2ncnn2C)C1 1889084231 NQMUHKVCMVIFCK-LBPRGKRZSA-N 354.380 2.330 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCC1 4165914 IDYWNYQWOXOAAT-UHFFFAOYSA-N 371.828 2.294 0 40 FEAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 2055734902 WXFALKGTHLUSJG-GFCCVEGCSA-N 369.874 2.225 0 40 FEAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCOCC3)c(O)n2n1 22854274 VRGAFULOEFCSFB-HNNXBMFYSA-N 374.466 2.489 0 40 FEAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1ccc(F)c(Cl)c1 206818830 VBEDGJDPAIAXQH-SECBINFHSA-N 361.851 2.493 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3nscc32)c(C)c1 49403913 PXHPQNDYDHMGCA-UHFFFAOYSA-N 372.450 2.456 0 40 FEAB O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 75155773 BOFXJTFKMPOFBT-SFHVURJKSA-N 362.788 2.368 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)OCCCn1c(=O)[nH]c2ccccc21 29657187 VQQTUBWFZMPRRO-UHFFFAOYSA-N 356.426 2.246 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ncc(C)s1 2661868 JVGPYGLXQIAIRD-CQSZACIVSA-N 365.480 2.167 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3nnc(Cc4ccccc4)s3)nn12 3359219 RFXVYWWQVKLUAC-UHFFFAOYSA-N 351.395 2.127 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 3438060 WNYCWCOGHNHUNE-LLVKDONJSA-N 354.453 2.314 0 40 FEAB OC1(c2ccc(F)cc2)CCN(Cc2nnnn2Cc2cccs2)CC1 4374405 LLTYGJJZOWNUFK-UHFFFAOYSA-N 373.457 2.406 0 40 FEAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505278 YPGYRMKGKXVNRV-HNNXBMFYSA-N 353.465 2.038 0 40 FEAB CCOC(=O)N[C@H](c1ccc(OC)cc1)C(C(=O)OCC)C(=O)OCC 4697661 NMKWGZMXCDQCLY-OAHLLOKOSA-N 367.398 2.225 0 40 FEAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1 4892333 POCAVQGUJILXLN-UHFFFAOYSA-N 359.407 2.221 0 40 FEAB Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1C1CC1 7235328 REYNQYOJOYAHPT-UHFFFAOYSA-N 356.411 2.473 0 40 FEAB Cc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCCC1 7881115 MEHVOEQSWASEKC-UHFFFAOYSA-N 368.499 2.324 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)N[C@H]1COc2ccccc2C1 53044144 HZZVHCZJLZTPEZ-CQSZACIVSA-N 354.431 2.245 0 40 FEAB CC1=C[C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21 101485898 WTEMHUNGHRHHAV-MXASKKJJSA-N 364.426 2.494 0 40 FEAB Cc1ccc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2c1 2804160 WLVYPVZLRCSWQI-UHFFFAOYSA-N 353.469 2.215 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)C1 53551985 OCZOHNKJEHOGFJ-MRXNPFEDSA-N 374.441 2.321 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 23308105 BKNNKCNQDNBAPN-UHFFFAOYSA-N 368.462 2.449 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@H]3CCCO3)cc2)CC1 24502913 MYEVHKUNIQGPSU-MRXNPFEDSA-N 367.467 2.443 0 40 FEAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 24991341 NQDKSWIAUMEXJW-ZDUSSCGKSA-N 359.813 2.157 0 40 FEAB COC(=O)c1csc(N2N=C(c3ccccc3)C[C@@]2(O)C(F)F)n1 25183538 SUSZWEKANVHYGG-OAHLLOKOSA-N 353.350 2.498 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@@H]1C[C@@H]3CC[C@@H]1C3)NC(=O)CO2 102451729 MFCNMKJOPZSIQM-UPJWGTAASA-N 350.440 2.040 0 40 FEAB CC(C)CCC[C@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 25345592 NDAHIECWZVJXMX-AWEZNQCLSA-N 365.499 2.446 0 40 FEAB O=C(N[C@@H]1CCC[C@H]1CO)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 107155148 RYZCJWPAZOOCMB-KSZLIROESA-N 368.433 2.124 0 40 FEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C1 44285509 JFJFJHYVMYAVSC-IRXDYDNUSA-N 365.543 2.463 0 40 FEAB COc1ccccc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 108524778 ZFFURHBLSRYGBP-UHFFFAOYSA-N 350.484 2.132 0 40 FEAB O=C(CCC(=O)N1CCC[C@@H]1C(=O)NCC(F)(F)F)c1ccc(F)cc1 58224715 FTHQNZLBEUVKCS-CYBMUJFWSA-N 374.334 2.458 0 40 FEAB Cn1c(SCCCN2CCOC2=O)nc2sc3c(c2c1=O)CCC3 58401922 XIWOULROSIMXMW-UHFFFAOYSA-N 365.480 2.418 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 23026494 VYFFJSWWFRGSQN-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB CC(=O)N1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)Oc2ccccc21 12979027 BBSLLCHBSPHCNM-HNAYVOBHSA-N 352.390 2.441 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 12939746 ZVZYVTAPWAMFSV-DOMZBBRYSA-N 362.401 2.442 0 40 FEAB Cc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 18180332 DPHXBFJZXCFSDY-UHFFFAOYSA-N 352.438 2.458 0 40 FEAB CCCCn1c(N)c(N(CCC)C(=O)c2ccccc2C)c(=O)[nH]c1=O 8755025 KPCSWQBRARAQPE-UHFFFAOYSA-N 358.442 2.284 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cnn(Cc2ccccc2)c1 14160234 ZEKKBOBIXFTNFA-UHFFFAOYSA-N 363.421 2.415 0 40 FEAB CCN1C(=O)C2(Cc3ccccc3N3CCC[C@H]32)C(=O)N(CC)C1=S 5689821 JFHMLMUMELKBLC-HNNXBMFYSA-N 357.479 2.193 0 40 FEAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 15359015 PRNAZJOLVJYBFD-ZDUSSCGKSA-N 353.465 2.271 0 40 FEAB CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 7485885 GYIFUTLTACBKPN-UHFFFAOYSA-N 372.402 2.468 0 40 FEAB CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1N1CCOCC1 7722932 NLHZKBDAWVURCL-UHFFFAOYSA-N 368.409 2.388 0 40 FEAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2C(=O)CN(C)C2=O)c1 8183844 WZWVURHSJRHATG-UHFFFAOYSA-N 351.406 2.422 0 40 FEAB CCc1cccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 8405007 MBCMNTCPRUWROZ-UHFFFAOYSA-N 357.435 2.268 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 218393311 TWABFINPXPMDFF-IRXDYDNUSA-N 364.898 2.492 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CC1 408707464 BNHSBIZNUSRFEL-UHFFFAOYSA-N 371.824 2.487 0 40 FEAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCCCc1nnc3n1CCCC3)C2 95448411 BAIJBDQUBJNEMJ-QGZVFWFLSA-N 354.454 2.284 0 40 FEAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cc(Cl)ccc1Cl 20635173 LEGIZPRHPGEKRY-UWVGGRQHSA-N 363.222 2.007 0 40 FEAB CC(C)(C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325415 UYXXEXRGMJNDQB-LLVKDONJSA-N 367.496 2.500 0 40 FEAB CCn1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)cn1 36619435 WFMUERZLKZPDTR-UHFFFAOYSA-N 351.370 2.400 0 40 FEAB COCCN(CCOC)c1ncc(-c2cnccn2)c(-c2ccco2)n1 72340308 YHSKYDGCQUIZPV-UHFFFAOYSA-N 355.398 2.293 0 40 FEAB CC(=O)Nc1cc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)ccc1C 562620708 NLOPATOLVWIXQN-SFHVURJKSA-N 368.389 2.444 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)nn1)N1CC[C@@H](n2cc(Cl)cn2)C1 566590787 KCVPNYWMAOXLJB-SECBINFHSA-N 360.727 2.824 0 40 FEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(N)=O 72345425 CQIVBTKIDSJZCQ-KRWDZBQOSA-N 363.421 2.271 0 40 FEAB FC(F)(F)Cn1c(SCCc2ccccn2)nnc1N1CCOCC1 72051079 HQAQDELTZAIFAX-UHFFFAOYSA-N 373.404 2.407 0 40 FEAB COCc1nn2c(=O)cc(COC(=O)c3ccc(Cl)cc3)nc2s1 41077305 PYKXHMUEYJSYCJ-UHFFFAOYSA-N 365.798 2.308 0 40 FEAB Cn1nnn(-c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c1=O 75163101 HKGWAXGYPLTDHN-UHFFFAOYSA-N 359.389 2.300 0 40 FEAB Cc1cc(C)cc(OCC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 40110916 WYTPUZGNQIETRH-FQEVSTJZSA-N 367.405 2.376 0 40 FEAB CN(Cc1cnc(C(=O)O)cn1)[C@H]1CCN(c2ccccc2Cl)C1=O 530162991 UAQNORRZDOCCPD-HNNXBMFYSA-N 360.801 2.066 0 40 FEAB O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1COc2ccccc2C1 45755436 GMCFDSNGTHNBJP-LJQANCHMSA-N 366.465 2.349 0 40 FEAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OS(C)(=O)=O 41082768 DRFZFARBZIFEEC-UVTDQMKNSA-N 373.386 2.378 0 40 FEAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1-n1cnnc1 40397299 NPFAWJOSQFETSA-UHFFFAOYSA-N 363.768 2.268 0 40 FEAB CCS(=O)(=O)C1CCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 192488650 IZMRHBXXZDOPRE-OAHLLOKOSA-N 368.499 2.371 0 40 FEAB O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1 96226075 JQVRBDDKFUQTRW-HXUWFJFHSA-N 368.412 2.258 0 40 FEAB CCN1CCOC[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96228869 DLDLQCNYICXOBE-FQEVSTJZSA-N 356.470 2.148 0 40 FEAB Cc1noc2ncnc(N(C)C[C@@H]3CCCN(C)[C@H]3c3ccnn3C)c12 583618137 CRQOCYQRLXVRAS-XJKSGUPXSA-N 355.446 2.179 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96048678 YEEFIMFPPFBUSY-FQEVSTJZSA-N 350.422 2.132 0 40 FEAB COc1ccc(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1 96255482 DOURYMOITSMISY-UHFFFAOYSA-N 352.438 2.229 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)s1 248117787 JCUQQTJPDSCRIC-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB Cn1nccc1CN1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 257324633 WPOHVXQXUIEXQN-QGZVFWFLSA-N 363.425 2.195 0 40 FEAB O=C(CCCSc1ccccc1)N1C[C@]2(C(=O)O)CC[C@@]2(C(=O)O)C1 1776006080 LYSGOOQXUSOXLH-ROUUACIJSA-N 363.435 2.337 0 40 FEAB CNC(=O)c1cccc(CNC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)c1 605295596 LTPAOAGQNWMZCS-UHFFFAOYSA-N 367.405 2.475 0 40 FEAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585275929 IRILXKINPQOZRV-IBGZPJMESA-N 357.410 2.109 0 40 FEAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NCc3ccco3)C2)c1 585096103 RJOBJCWBZVAJEU-SFHVURJKSA-N 364.405 2.298 0 40 FEAB CCN(CC)CC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21 585112426 PZMDRJSICSNTBJ-KRWDZBQOSA-N 362.499 2.361 0 40 FEAB CSc1nn(CC(=O)Nc2nc3ccccc3s2)c(=S)n1N 5527691 UZIYTXFQVVUJOT-UHFFFAOYSA-N 352.470 2.098 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3ccc(Cl)cc3)c2n1 12337176 HWDCWINTVFBHFJ-CYBMUJFWSA-N 372.816 2.194 0 40 FEAB O=C(c1ccccn1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13267767 BRWXRALYMMJZTI-UHFFFAOYSA-N 362.393 2.054 0 40 FEAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)c(C)o1 15818141 GNCOVIVVRIZOFU-UHFFFAOYSA-N 351.380 2.095 0 40 FEAB O=C(c1cc(C2CCN(Cc3ccncc3)CC2)no1)N1CCC[C@H](O)C1 19405174 VGEAVNRVQJGFCL-KRWDZBQOSA-N 370.453 2.046 0 40 FEAB O=C(c1cc(-c2ccncc2)c(N2CCOCC2)s1)N1CCC[C@@H](O)C1 19405645 FECSYVOYMQNBFP-OAHLLOKOSA-N 373.478 2.244 0 40 FEAB COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C 29880461 NWCPKLWLZSOHKO-IAQYHMDHSA-N 352.818 2.007 0 40 FEAB CC(C)N1CCO[C@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@H]2C1 1565546375 ZJZZIPMELLKLCX-KSSFIOAISA-N 368.424 2.301 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2cn3cccc(C)c3n2)c1 2961086 RZGWLZQOIDMYSO-UHFFFAOYSA-N 361.423 2.138 0 40 FEAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 9037054 QNUMRKWNHNQMGC-CQSZACIVSA-N 362.426 2.466 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NCC2(c3cccs3)CCCC2)CC1 13803249 QNUPJCHAQUHOOB-UHFFFAOYSA-N 370.540 2.348 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](OCCCn3cccn3)[C@@H]3OCCC[C@H]32)cn1 2055739352 SBVHWDLKESYZFK-GUDVDZBRSA-N 370.453 2.065 0 40 FEAB COc1ccc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cc1 2055773039 OCZOQOAVHDTOCG-UHFFFAOYSA-N 368.481 2.409 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908118 FYULQJMCQQFWLD-KRWDZBQOSA-N 371.506 2.488 0 40 FEAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 17306759 AOCFBOMJYNFEMY-UHFFFAOYSA-N 361.423 2.064 0 40 FEAB O=C(CN(C[C@H]1CCCO1)C[C@H]1CCCO1)NCCc1ccc(F)cc1 40120140 PSLVHAWVYREAAV-RTBURBONSA-N 364.461 2.144 0 40 FEAB O=C(NCCNc1ncccn1)NCc1ccc(OC(F)(F)F)cc1 40123061 QKKSLEJXOHWUHQ-UHFFFAOYSA-N 355.320 2.287 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2csc(NC3CC3)n2)cc1 40266870 DVDQSCDCSVZWPQ-UHFFFAOYSA-N 366.468 2.220 0 40 FEAB CCOC(=O)[C@@](NCCc1ccc(F)cc1)(NC(=O)CC)C(F)(F)F 20840437 HPWASFPUEWMQAP-OAHLLOKOSA-N 364.339 2.306 0 40 FEAB COC(=O)c1sccc1NC(=O)Cc1csc(N2CCCC2=O)n1 21589421 XEORPPYDGGJQOA-UHFFFAOYSA-N 365.436 2.299 0 40 FEAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1 2616839 WURCMKDLYUZLLC-UHFFFAOYSA-N 368.397 2.476 0 40 FEAB CCc1nn(C)cc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 92281835 JJCXGDDYKZJNON-UHFFFAOYSA-N 354.454 2.326 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 784612 AGSKRWGNZPYRIU-HNNXBMFYSA-N 350.484 2.455 0 40 FEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OC)c(OC)c1 8672646 MTNHKYDMODWZOI-CABZTGNLSA-N 367.448 2.480 0 40 FEAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1ncn2Cc1ccccc1 1087460 SNWBDFPUIISOQK-UHFFFAOYSA-N 364.380 2.132 0 40 FEAB biogenic Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)sc2cccc(F)c12 21605497 HRXPVCQSKGSHDC-VIFPVBQESA-N 350.371 2.446 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCc1c(C)nn(-c2ccccc2)c1C 2804255 DGPKATUDQKZUQA-UHFFFAOYSA-N 359.455 2.010 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 4895841 XCYWVLORRUNPAS-CYBMUJFWSA-N 353.488 2.234 0 40 FEAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 6891019 GPHPUKASZPMXNW-GOSISDBHSA-N 360.479 2.411 0 40 FEAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc2ncccc2c1 103100604 KVGFHZVIGKRMBY-UHFFFAOYSA-N 351.410 2.016 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262128 CSIGBVXERKSSJS-RYUDHWBXSA-N 350.850 2.053 0 40 FEAB COc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1 23732407 HAJJRSUIFWATHD-UHFFFAOYSA-N 352.481 2.263 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCNc2cnccn2)C1 54719920 RSEUNDKQSXCMOW-WBVHZDCISA-N 354.458 2.023 0 40 FEAB CN1CCN(CCCNC(=O)CSCc2c(F)cccc2Cl)CC1 22934770 IQLTUVWBTUADIP-UHFFFAOYSA-N 373.925 2.466 0 40 FEAB CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 56104113 YPUKKGYLYGIVNC-LLVKDONJSA-N 353.419 2.035 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)NCCc2ccc(F)cc2)c1 58004619 GKYQFCNDOJCILF-UHFFFAOYSA-N 355.362 2.272 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)cc1F 58135351 APNYCEUSCDPEEX-UHFFFAOYSA-N 365.792 2.469 0 40 FEAB Cc1ccc(C)c(OC2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)c1 58182829 LPUDUPQOYCKSPW-UHFFFAOYSA-N 356.474 2.180 0 40 FEAB CC(C)C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2102891 WZARJWSOSOSVFD-INIZCTEOSA-N 373.405 2.276 0 40 FEAB biogenic NC(=O)c1cccc(CCNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 58324385 VWXLHWVAHUIGBF-UHFFFAOYSA-N 374.444 2.432 0 40 FEAB Cc1oc(-c2ccccc2)nc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 24928541 OIZFEFWHORBICE-UHFFFAOYSA-N 373.434 2.110 0 40 FEAB Cc1ccccc1OCCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48333579 BPMIIJXXZVJTKL-SFHVURJKSA-N 360.454 2.004 0 40 FEAB COc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c(OC)c1OC 12815148 OJTBGTQAAIDCNK-UHFFFAOYSA-N 363.439 2.409 0 40 FEAB Cc1cnc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cn1 13019903 VAEMDNVZOLEPMI-UHFFFAOYSA-N 367.405 2.291 0 40 FEAB CN(C)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 13536139 UEMXAXOKQGUIDX-UHFFFAOYSA-N 374.872 2.311 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2C[C@H]1C(N)=O 64344579 YMXWCFRWHLHGOQ-HNNXBMFYSA-N 359.813 2.204 0 40 FEAB CC(C)=C[C@H]1[C@@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1(C)C 39559032 LOOSFZRTJGOVFK-LRDDRELGSA-N 356.426 2.149 0 40 FEAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)NC1CCCCC1 6344418 ZMQAOGFOCFJHKM-UHFFFAOYSA-N 357.410 2.162 0 40 FEAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 14076831 FBIXVKTYCARPQY-JLTOFOAXSA-N 373.453 2.157 0 40 FEAB C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14162868 VLPDLJPAFRTTEI-HNNXBMFYSA-N 364.449 2.402 0 40 FEAB COC(=O)c1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2)cc1 15481565 SJVCOMLPMNHIHF-FMIVXFBMSA-N 353.374 2.346 0 40 FEAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCNC1=O 7171616 SAPDJGDUKXRIOX-NSHDSACASA-N 357.439 2.177 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1 16101320 DLNFQEAIJAXUDS-UHFFFAOYSA-N 354.453 2.060 0 40 FEAB CC(=O)c1ccc(N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 22357269 DPJVJGCPEYNPNL-UHFFFAOYSA-N 369.465 2.288 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)no2)c1 8315708 QDRCVAVURXHCIR-UHFFFAOYSA-N 351.428 2.475 0 40 FEAB COC(=O)c1ccc(C)c(OC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1 84187924 FSRBQYWEJCSUGP-UHFFFAOYSA-N 356.334 2.149 0 40 FEAB CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)[C@@H](CN)C1 97019730 WQPXVCLFCKDUSP-INIZCTEOSA-N 350.422 2.210 0 40 FEAB COc1ccc(CC(=O)Nc2ccccc2NS(C)(=O)=O)cc1F 24889257 LYQULOAYTARATB-UHFFFAOYSA-N 352.387 2.387 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306144922 ZSFOYVSJPUMEGN-KGLIPLIRSA-N 371.872 2.128 0 40 FEAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1nccs1 75156415 RTNNEYMIIGVCGB-UHFFFAOYSA-N 355.423 2.155 0 40 FEAB Cc1nn(C(C)(C)C)cc1C(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1 566506614 DJXISZDLIODWRZ-UHFFFAOYSA-N 368.397 2.478 0 40 FEAB CCOC(=O)c1cc(C(C)=O)nn(-c2cc(Cl)ccc2OC)c1=O 225967702 GFTXYIDZEAGUNX-UHFFFAOYSA-N 350.758 2.274 0 40 FEAB O=S1(=O)C=C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 190382135 RIODRFPZVZFNHJ-OAHLLOKOSA-N 367.423 2.332 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3cccs3)cc12 40286649 AVSXYGUSWIXVEA-UHFFFAOYSA-N 373.434 2.406 0 40 FEAB C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(c3ncccn3)C2)C1)c1ccccc1 96225734 JAVJXAJYQRQLEN-YWZLYKJASA-N 365.437 2.122 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 93010546 UXMDFBODWGVOER-HOCLYGCPSA-N 354.454 2.208 0 40 FEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(C)n1)C=C2 95473143 ANDLRDAONCEYNS-UHFFFAOYSA-N 367.405 2.401 0 40 FEAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)s1 96108509 WOPLKSBFELRRTI-APWZRJJASA-N 357.479 2.330 0 40 FEAB Cc1nccc(CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)n1 257243473 IHEHZAWXEPJPFO-SFTDATJTSA-N 352.482 2.386 0 40 FEAB COc1ncccc1CN1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 253600021 AJJMPTKSJAYIBR-QGZVFWFLSA-N 369.469 2.282 0 40 FEAB O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cccc2c1OCCO2 257328547 XGDQDOBWZWVLKQ-INIZCTEOSA-N 355.394 2.419 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)cc1F 644431109 QFHAEISBCCBAJK-KUHUBIRLSA-N 365.449 2.210 0 40 FEAB O=C(O)c1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccn1 650769158 PSLMUYOECCNQLH-UHFFFAOYSA-N 373.360 2.367 0 40 FEAB Cc1nn(CC(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c2ncccc12 1140248730 SEVHFSCRNPBUJE-SFHVURJKSA-N 363.465 2.125 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)C[C@@H](C)O2)o1 619291412 ZPUZHIMHQYLGFW-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB COc1ccc2c(c1)[C@@H](C(=O)N1CCN([C@H](C)CC(=O)O)CC1)CCC2 630221207 VRDVRLGBKTXMBM-PBHICJAKSA-N 360.454 2.123 0 40 FEAB CC1(C)CN(C(=O)NCCC2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 644206667 HPDOYBOJKVUFGV-MRXNPFEDSA-N 365.499 2.389 0 40 FEAB O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1nc(-c2ccc(Cl)cc2)cs1 575424371 KMNZXKXLXRQUAL-VXGBXAGGSA-N 369.855 2.159 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)c1 585275828 AIUUVOVWPPDYNF-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C 634027867 WHKWYBSFKPWZRR-WDXSGGTDSA-N 361.417 2.036 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1C 5269148 DOLQTKMKNHDAOA-UHFFFAOYSA-N 355.350 2.237 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(CC(=O)NC4CCCC4)nc3c2c1C 12144881 VMDFTMSOTKPODP-UHFFFAOYSA-N 359.455 2.090 0 40 FEAB COc1cc(C(=O)NC(=S)NNc2ccccc2)cc(OC)c1OC 14257581 BHBLQQHAGVQVNA-UHFFFAOYSA-N 361.423 2.344 0 40 FEAB CC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)C(=O)[C@@](C)(O)[C@]2(O)C(=O)OC 253402300 OCPNGNBXODBFSW-ZHFUSNMLSA-N 359.422 2.395 0 40 FEAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)COC(=O)c2cn3c(C)cccc3n2)c1 5983175 CCKHVGGZZQZONE-UHFFFAOYSA-N 369.377 2.455 0 40 FEAB Cc1ccc(N2CC(N(C)S(=O)(=O)c3ccc(Cl)s3)C2)nn1 1888863847 HTLHWGIPHCKKLA-UHFFFAOYSA-N 358.876 2.009 0 40 FEAB COc1ccc(CN2CCN(c3nc(C)cc(N(C)C)n3)CC2)cc1F 1889128362 YYGLETQPRWMYAJ-UHFFFAOYSA-N 359.449 2.321 0 40 FEAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC(N2C(=O)CCC2=O)C1 238954964 XTOGLAWKHTWING-UHFFFAOYSA-N 364.401 2.092 0 40 FEAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)cc1 2056224434 JAPOMNLWNNHYGQ-AWEZNQCLSA-N 358.467 2.241 0 40 FEAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 9621624 UHZHKPUKEGWVKX-UHFFFAOYSA-N 372.402 2.005 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)cc1 11693664 YXUZCYCSXGCWMQ-UHFFFAOYSA-N 361.467 2.232 0 40 FEAB COc1cc(C(=O)N2CCC[C@]3(CCCN3Cc3cccnc3)C2)on1 2055793222 BULAJEBAMJDZIW-IBGZPJMESA-N 356.426 2.349 0 40 FEAB COc1cc(C(=O)N2Cc3c(Cn4cccc4)nn(C(C)C)c3C2)on1 2055718003 SYIKGUWTAVKFLE-UHFFFAOYSA-N 355.398 2.466 0 40 FEAB CN(C1CCN(c2cc(C3CCC3)ncn2)CC1)S(=O)(=O)C1CC1 2086887059 VDDGFQBXGXEWID-UHFFFAOYSA-N 350.488 2.137 0 40 FEAB O=C(NCCn1cc(-c2ccco2)cn1)NCc1ccc2c(c1)OCO2 575614768 GLZASEXUBDACGP-UHFFFAOYSA-N 354.366 2.371 0 40 FEAB O=C1Nc2c(Cl)cc(S(=O)(=O)N3CCOCC3)c3cccc1c23 35686200 VNSFGGNDCHXGEQ-UHFFFAOYSA-N 352.799 2.080 0 40 FEAB Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 30569616 VMRJAWFLBNUVGZ-UHFFFAOYSA-N 360.479 2.380 0 40 FEAB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2N2CCCN12 100937642 QXTBICUHPJMWFJ-OTWHNJEPSA-N 363.417 2.231 0 40 FEAB Cc1cccc(NC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 29617981 CXNBDWUMSLLLSJ-UHFFFAOYSA-N 357.414 2.080 0 40 FEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)c1 8261384 KEQFAUYBYRPHAP-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCC[C@H]2C)c1C 2646230 NLITVJJUFRKYOO-LLVKDONJSA-N 350.415 2.366 0 40 FEAB Cc1ccc(CNC(=O)CS(=O)(=O)c2nc(C)c(C)s2)cc1F 78810305 IROSGIMZEXGUJK-UHFFFAOYSA-N 356.444 2.298 0 40 FEAB O=C(Nc1ccncc1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 78889671 TUOZEUZHWJJKPX-ZDUSSCGKSA-N 351.453 2.325 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)C1 52702782 SFOIVUKTEASEAC-KBPBESRZSA-N 364.515 2.441 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 4959221 VCKUKYMEKAGRHC-HNNXBMFYSA-N 358.419 2.487 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 6260094 IYRABOFTILRPAY-VIFPVBQESA-N 358.341 2.409 0 40 FEAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(N2CCOCC2)cc1 6534288 NNPLXDZGSAFFNB-NSHDSACASA-N 350.469 2.494 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 41778812 KEJYRBREVVBSKE-JCNKGUOZSA-N 360.498 2.489 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 23188515 GLNOIGVQTNDQMH-OAHLLOKOSA-N 357.454 2.412 0 40 FEAB C[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 54363459 XCEFAAOZTZWUFN-RXMQYKEDSA-N 363.060 2.415 0 40 FEAB NC(=O)c1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 42566905 HUPIUIMDXVWWGC-UHFFFAOYSA-N 368.368 2.042 0 40 FEAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(O)c1 9262210 PXBBMXBIVDXEPI-JKSUJKDBSA-N 351.362 2.463 0 40 FEAB CCCn1nc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2c1=O 9647505 DCSUDQUFEUWUHI-UHFFFAOYSA-N 350.378 2.158 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2Cl)n1 102015400 SRNHROZOPRNPHB-SDADXPQNSA-N 357.797 2.252 0 40 FEAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 24014273 SHNGFSSAJNSTMH-UHFFFAOYSA-N 365.359 2.036 0 40 FEAB C[C@H](CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1 25447195 FFKYVWRSJWJHFT-CQSZACIVSA-N 351.406 2.272 0 40 FEAB O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCCN(c2ncccn2)C1 107135518 RTDGKLNVIIPBLC-ZACQAIPSSA-N 355.417 2.440 0 40 FEAB COc1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230594 HRZXKRLDISVTCF-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB Cc1noc(C)c1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 43753205 DKPPHFGBNWAHNF-UHFFFAOYSA-N 369.343 2.399 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H](C(=O)N(C)C)C3)cccc2c1 57265147 CYJVBLLRCVMJAI-HNNXBMFYSA-N 361.467 2.032 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ncccn2)CC1 57406324 IVBBDFFJVPHCNZ-NSHDSACASA-N 365.359 2.043 0 40 FEAB Cc1ccccc1NC(=O)Cc1nc(CSc2nnnn2C)cs1 3344062 YRTARYIPHIFSRM-UHFFFAOYSA-N 360.468 2.449 0 40 FEAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12773877 XGZNOZMEOBKXBF-GASCZTMLSA-N 353.488 2.088 0 40 FEAB COC(=O)N1CCC(Nc2ccc3nnc(-c4ccccc4)n3n2)CC1 58159703 MNDBUWBBEAUKSO-UHFFFAOYSA-N 352.398 2.434 0 40 FEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)NCc1ccc2c(c1)OCO2 58144906 GBQIFFMTPCDRHP-UHFFFAOYSA-N 371.437 2.394 0 40 FEAB COc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 22273374 QFKZTXKNFLBGIQ-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 58218696 CBPQQIOWBUPDJE-GOSISDBHSA-N 356.466 2.115 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(N3CCOCC3)nc2)c1 12767835 YBKWXLSWUIOOQT-AWEZNQCLSA-N 371.437 2.426 0 40 FEAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 2231460 SHMUOWBKXVZUEP-KOLCDFICSA-N 373.482 2.273 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1cccs1 48301478 NFHCGYGKUPIGSR-YPMHNXCESA-N 352.456 2.163 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1 12885449 ATMGIQPUSPSEIY-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2 24378710 FSZDVVSSBXSMHO-UHFFFAOYSA-N 368.433 2.220 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC1CC1 22248438 QYKQEZFGKIILSF-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3ccccc3F)oc(C)c12 13021938 YJGQWRBZWOZOIH-UHFFFAOYSA-N 358.373 2.343 0 40 FEAB COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2C)c(OC)c1 13113288 RDTJWSYPNJHDND-NUEKZKHPSA-N 351.443 2.390 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218812 SXJYYCDYRBYVQJ-BBATYDOGSA-N 365.380 2.133 0 40 FEAB O=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCOCC1 14066785 PUXLZYGHZLQQPK-UHFFFAOYSA-N 372.512 2.222 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cccc(OC)c3)C2=O)cc1 14084900 KVGSQTKHVGUMJH-FQEVSTJZSA-N 368.389 2.354 0 40 FEAB O=C(Nc1cccc(CNC(=O)[C@@H]2COc3ccccc3O2)c1)C1CC1 14159738 VLPJPDSDOISJRU-SFHVURJKSA-N 352.390 2.491 0 40 FEAB CC(C)CN(C(=O)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 4504899 RJMOZRCVLYNSJK-SNVBAGLBSA-N 364.261 2.327 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6649480 LAVHOOMKGHZVPC-LBPRGKRZSA-N 351.362 2.416 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2cc(OC)ccc2OC)cc1 4741055 GRITTYYJWHPYII-UHFFFAOYSA-N 351.424 2.233 0 40 FEAB COc1ccccc1C[C@H](C(=O)Nc1ccccc1OC)c1nn[nH]n1 5671200 PJMQJEUWBHUCMG-ZDUSSCGKSA-N 353.382 2.182 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1 4888442 PIHOUAUNISRNAX-UHFFFAOYSA-N 363.458 2.040 0 40 FEAB COc1ccc(Br)cc1CN1C(=O)C(=O)N(CC(C)C)C1=O 7774330 QASBHRRMNLAZFL-UHFFFAOYSA-N 369.215 2.405 0 40 FEAB Cc1nn(CC(=O)N(C(C)C)C(C)C)c(C)c1S(=O)(=O)NC(C)(C)C 7813840 JIGVEYCTTRZDHB-UHFFFAOYSA-N 372.535 2.222 0 40 FEAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)cc1 8026736 CNRORWTUFHMJKY-QGZVFWFLSA-N 362.451 2.377 0 40 FEAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(F)c1 9498443 GFDGEXFEQLTMFK-SFHVURJKSA-N 373.336 2.350 0 40 FEAB O=S1(=O)CC[C@H](N(Cc2cc(Cl)c3c(c2)OCCO3)C2CC2)C1 95957570 UUUROYVSNLCCDF-ZDUSSCGKSA-N 357.859 2.263 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(C)C3=O)C2)s1 306132754 LRGOUDWQEBLQHG-IFXJQAMLSA-N 372.494 2.268 0 40 FEAB COC(=O)c1ccoc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 32913820 VZRTYWFHUAPLQH-UHFFFAOYSA-N 360.385 2.092 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 33340733 UKGURDZBIRZVFW-MDWZMJQESA-N 351.380 2.303 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)NCc2c(CC)nn(C)c2CC)c1 1521280321 WIRUYGKSKZSQCV-UHFFFAOYSA-N 356.426 2.305 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)CC 217506946 REWGKTLCHDCGBR-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)cc2)CC3)C[C@H](C)O1 72347178 LOTAVFGYBMYJGD-KBPBESRZSA-N 372.444 2.493 0 40 FEAB CN1CCN(C[C@@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccccc2)CC1 582964045 SJADKUXVFWWVSA-LJQANCHMSA-N 367.449 2.103 0 40 FEAB CC[C@@H]1N(C(=O)c2cccc(C)n2)CCC[C@]12CCC(=O)N2CCOC 96052450 XUKLMKUKOSPVRB-PXNSSMCTSA-N 359.470 2.412 0 40 FEAB CCc1cnc(N2CCO[C@H]3CN(Cc4ccccn4)CC[C@@H]3C2)nc1 96249776 LUCNAXNQQKGOJP-MJGOQNOKSA-N 353.470 2.161 0 40 FEAB O=C(CCCc1nnc2ccccn12)Nc1ccc(Cn2cncn2)cc1 96118073 PESNVCWWLWBEDQ-UHFFFAOYSA-N 361.409 2.331 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccc(F)cc1)C2 96238077 WBSPIITVETVXKI-HXUWFJFHSA-N 354.429 2.144 0 40 FEAB CN1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)CC1 96146328 NUYGHQCOVXCPIX-UHFFFAOYSA-N 374.448 2.300 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96229115 PQXLHSJRCGKXLU-IBGZPJMESA-N 357.458 2.200 0 40 FEAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN(C)C)CCO2)n1 257243245 IGAVEFIMANMJNU-KRWDZBQOSA-N 358.442 2.069 0 40 FEAB C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 251055284 UBYDYCTYEIGTTB-YRORDHRNSA-N 372.437 2.424 0 40 FEAB Cn1cc(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2F)cn1 257222505 DTNNVKOKBFCQEI-PXNSSMCTSA-N 370.428 2.355 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(CC(=O)O)cc2)C1 630234593 NVZPYLMSNNUTIM-MRXNPFEDSA-N 360.454 2.215 0 40 FEAB C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCN(C)c3ccccc32)CS1(=O)=O 665056241 SQRHZVPZTPGPTP-FMKPAKJESA-N 365.499 2.223 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc2ccccc2n1 53280285 RXQIMUGEEFDBKS-UHFFFAOYSA-N 360.377 2.439 0 40 FEAB Cc1ccc2c(O)c(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cnc2n1 79657684 GWMFMAGAOCNAFI-ZDUSSCGKSA-N 353.382 2.272 0 40 FEAB COc1ccc2nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc2c1 193755379 JGFDHMNVCFZRIG-INIZCTEOSA-N 355.438 2.319 0 40 FEAB CC1(C)C[C@@H](CC(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)C(=O)O1 12220932 VGGJQMUCVCWUKX-CHWSQXEVSA-N 356.426 2.396 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)nc(O)c2C1 19590226 YWYFQBNQEOVQRB-HNNXBMFYSA-N 358.486 2.456 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CC2CCCCC2)CC3)C1 19709468 VJKQRKITDAXFPJ-GOSISDBHSA-N 359.518 2.442 0 40 FEAB Cc1nc(N2CCCC2)sc1C(=O)NC[C@H](C(C)C)N1CCOCC1 19716611 WKRWAHDSFQVRJM-OAHLLOKOSA-N 366.531 2.138 0 40 FEAB O=C(O)[C@H]1CN(S(=O)(=O)c2sc3ccccc3c2Cl)CCO1 514778926 PMCILTSXYAEDLZ-SECBINFHSA-N 361.828 2.029 0 40 FEAB O=C1CN(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cccc(Cl)c2)CCN1 253472873 QFUWJKDOLKEINX-XYPWUTKMSA-N 362.861 2.299 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)n1 5326956 DNZSGCWZLZEFRJ-ZDUSSCGKSA-N 365.393 2.255 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)s1 1888879156 ZLDWDLPGTFRGSG-KBPBESRZSA-N 368.466 2.011 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 23652728 PCESZMRMYPAYMT-JLTOFOAXSA-N 373.453 2.348 0 40 FEAB COc1ncccc1CNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 30041788 FIWZRIXZEUHQOR-OKILXGFUSA-N 356.426 2.029 0 40 FEAB C[C@]1(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)CC=CCC1 1565546575 HIPLYUAFBTZZPF-YSIASYRMSA-N 359.470 2.264 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccnc1 5241956 RAEHTZSYCUGWCR-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB O=C(c1ccncc1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751131 LANQXCGVEHWKIR-UHFFFAOYSA-N 364.449 2.401 0 40 FEAB Cc1ccsc1CN1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 2055814254 YTKCLLNMCMNFNC-LJQANCHMSA-N 356.495 2.375 0 40 FEAB Cc1ccc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)cc1F 1775967460 SGPRROQXMIDAID-UHFFFAOYSA-N 368.416 2.233 0 40 FEAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@H]1COc2ccccc2O1 9429793 USZWFQANOIEYEX-GOSISDBHSA-N 350.374 2.327 0 40 FEAB CC(C)OCCCNC(=O)CS(=O)(=O)[C@H]1CCCc2ccccc21 40127570 WAGAHMTURARKPH-KRWDZBQOSA-N 353.484 2.410 0 40 FEAB COc1ccc(Cl)c(NC(=O)c2nnn3c2[nH]c(=O)c2ccccc23)c1 20723829 RZIRVSYFRYQISY-UHFFFAOYSA-N 369.768 2.485 0 40 FEAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 2633557 AJLJHJQRXRTWSY-UHFFFAOYSA-N 369.421 2.427 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32830666 UXIJEYJUZBUJTC-KRWDZBQOSA-N 363.421 2.108 0 40 FEAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC(N(C)C)CC1 77715634 HWZREQPXYRPOHE-GOSISDBHSA-N 373.497 2.243 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 8560481 DPHBQGUYMYXDTC-UHFFFAOYSA-N 354.472 2.352 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)cc21 8783081 KTPIFCPIADXTDR-CQSZACIVSA-N 358.419 2.310 0 40 FEAB Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC1 795896 NWOCRJYDZFAUIF-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB Cc1nc(C)c(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 177515027 MJDLKMKGOOIFBK-CQSZACIVSA-N 366.414 2.260 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1nn(C)cc1Cl 100143041 XIPCTVCATSMTLU-GWCFXTLKSA-N 356.817 2.327 0 40 FEAB Cc1csc(=O)n1CC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 12687483 DAABYGLYZKMRQR-UHFFFAOYSA-N 368.842 2.349 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 103243261 LIBZHYFPAJCJAY-SNEKZUEESA-N 364.486 2.445 0 40 FEAB CCN(CC)CCNS(=O)(=O)c1ccc(OC)c(Br)c1 3326467 BRQWOEVJHJZRAC-UHFFFAOYSA-N 365.293 2.078 0 40 FEAB O=C(Cc1ccc(Cl)cc1)NC[C@H](O)COc1ccc2c(c1)OCO2 58168991 TXDREEXEQLJRMR-AWEZNQCLSA-N 363.797 2.167 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnccn2)CC1 100750045 TUUNEGGIZFUEAW-FCEWJHQRSA-N 367.453 2.285 0 40 FEAB COc1cc(OC)c(C(=O)OCC(=O)N2CCc3ccccc32)cc1OC 3317336 VKKNYXAUKOEFAN-UHFFFAOYSA-N 371.389 2.459 0 40 FEAB COc1ccc2c(ccn2CC(=O)N2CCN(c3ccccn3)CC2)c1 20731787 PZDJKXRMPMQHHU-UHFFFAOYSA-N 350.422 2.394 0 40 FEAB Cc1cccc(Oc2ncccc2N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2=O)c1C 84219191 BQAWZUXEDFZUGO-CABCVRRESA-N 372.446 2.498 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1nccc[n+]1[O-] 58438607 HPOMRJOCJQKSRU-MDZDMXLPSA-N 350.378 2.274 0 40 FEAB Cc1[nH]c(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1C(=O)OC(C)C 58423275 RAKHWRGUFMOXDH-GFCCVEGCSA-N 351.447 2.230 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC1CCCC1 12750416 KEELPQRUPSJXBQ-UHFFFAOYSA-N 353.850 2.278 0 40 FEAB Cc1ccc([C@H](CNCc2cnc(N(C)C)s2)N2CCOCC2)o1 48368712 DYZDYBRQAFFOQR-HNNXBMFYSA-N 350.488 2.274 0 40 FEAB C[C@H](CC(=O)N(C)CC(=O)Nc1cccc(F)c1)NC(=O)c1ccccc1 12867999 MSZWEIMTIIHANI-CQSZACIVSA-N 371.412 2.431 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(C)c1 28207752 NCJKKYYYMMJESF-UHFFFAOYSA-N 354.472 2.027 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1ccc2c(c1)OCCO2 3489406 BONBCQUEBLDAPJ-UHFFFAOYSA-N 350.421 2.349 0 40 FEAB COc1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1OC 3506817 OBVZRYWRJVLNOJ-UHFFFAOYSA-N 370.327 2.201 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3597361 UJDGPQRBVHBQCN-LBPRGKRZSA-N 353.806 2.254 0 40 FEAB CN(C)CCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1 13732617 UKDCPOGUCAJWQO-UHFFFAOYSA-N 352.442 2.496 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(C)C(=O)N(C)[C@@]1(O)C(F)(F)F 14013542 OACMMKFXQOEHAZ-ZOWXZIJZSA-N 360.332 2.155 0 40 FEAB CCN(C[C@@H](C)C(N)=O)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 65626108 JPXYMIWBCLHIJL-SECBINFHSA-N 371.821 2.110 0 40 FEAB CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505218 AGSCGLVUWKWSFH-GFCCVEGCSA-N 372.295 2.191 0 40 FEAB Cc1cc(CN2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)no1 71122870 ALVPTFAIZGXPIR-UHFFFAOYSA-N 371.466 2.349 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](Sc3nnc4nc(C)cc(C)n34)C2=O)cc1 20799351 DLWWOKJFCVYLMF-CQSZACIVSA-N 367.434 2.474 0 40 FEAB COC(=O)c1cccc(-n2nnnc2C2(N)C3CC4CC(C3)CC2C4)c1 15414433 PLWVGRSBSSQAKX-UHFFFAOYSA-N 353.426 2.059 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3)nc2C)cc1 7292891 VCYLNTUNJBNTHO-UHFFFAOYSA-N 366.377 2.380 0 40 FEAB COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1cccs1 7602632 CGDHFJQWFXVDRB-UHFFFAOYSA-N 366.834 2.302 0 40 FEAB CCc1cc(NC2CCN(CC(=O)N(C)C)CC2)nc(-c2ccncc2)n1 68773174 HFCYYHPPVIRDSQ-UHFFFAOYSA-N 368.485 2.066 0 40 FEAB COc1ccccc1-n1nnnc1SCc1nc(N)c2ccccc2n1 9379311 BDUULTBJLXWQMD-UHFFFAOYSA-N 365.422 2.489 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c(OC)c1 8217660 TUZRAYBBSWRUNK-HNNXBMFYSA-N 354.406 2.373 0 40 FEAB COc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc(OC)c1OC 8234715 XSCIMWXQFDWGCY-LBPRGKRZSA-N 362.426 2.442 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8379544 SXOIXZJAEIWTHV-KDOFPFPSSA-N 358.463 2.329 0 40 FEAB Cc1nc2n(n1)CCN(C(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C)C2 72311763 OUAQAISKPNCFPV-KRWDZBQOSA-N 369.469 2.082 0 40 FEAB CC(=O)OC[C@@H]1CCCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 95433909 ZJJOLTCBSXLFSV-SFHVURJKSA-N 373.453 2.170 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 69042093 ZGBHLTFSYAAOKX-KBPBESRZSA-N 373.469 2.357 0 40 FEAB Cc1nc(-c2ccco2)ccc1C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 95943971 AVEKNLUBMDYVMQ-IBGZPJMESA-N 360.410 2.473 0 40 FEAB Cc1ccnc2nc(C(=O)N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)nn12 505798606 DZKOUQLMHXWGPN-CQSZACIVSA-N 357.336 2.005 0 40 FEAB Cn1nnc2cc(C(=O)NC[C@@H]3CCO[C@H]3c3ccc(F)cc3)cnc21 548675934 FYRSGBRMNXOXEI-LRDDRELGSA-N 355.373 2.010 0 40 FEAB CS(=O)(=O)Cc1nc(CN2CC[C@H](C(=O)O)c3ccccc32)cs1 517588478 MOFIMQDQBSPRFR-ZDUSSCGKSA-N 366.464 2.266 0 40 FEAB CS(=O)(=O)c1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1 35442899 MGDQULOSCRUSLX-AWEZNQCLSA-N 356.451 2.351 0 40 FEAB biogenic,in-vitro C[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38832887 WIHDARVWUZDXAX-KSSFIOAISA-N 374.462 2.481 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218631323 WOPXPTNWOGZEJA-BFYDXBDKSA-N 365.838 2.370 0 40 FEAB CN1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 61031042 RLHKCWUDIPZUDJ-FQEVSTJZSA-N 365.477 2.238 0 40 FEAB CCCOc1ccc([C@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1OC 48501217 KREUVDNLZNNFNP-ZDUSSCGKSA-N 362.426 2.200 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225795979 CAJMHGMVONJFFK-UHFFFAOYSA-N 354.840 2.412 0 40 FEAB CC(=O)N1CC[C@@](C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 530850610 SONPTPOOQDUFFI-OAQYLSRUSA-N 357.498 2.368 0 40 FEAB COc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 226753693 OWBJQSDCSQDKSK-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB COc1ccnc(N2CCN(C(=O)c3cccc4c3OCC4(C)C)CC2)n1 575073365 DTVIPRLQQGNIPJ-UHFFFAOYSA-N 368.437 2.118 0 40 FEAB CNC(=O)c1cccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)c1 47000552 LXVUTPPVNBDMRU-UHFFFAOYSA-N 355.394 2.117 0 40 FEAB CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ncn(CC3CC3)c21 96045131 CVPDBZACYYLFEA-OAHLLOKOSA-N 355.442 2.168 0 40 FEAB Cc1occc1C(=O)N1CCn2cc(CN(C)Cc3cccnc3)nc2C1 96059550 OKOFCOZMKUIMNW-UHFFFAOYSA-N 365.437 2.468 0 40 FEAB COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc3nn[nH]c3n2)C1 580531256 MYCOXLLKANUDAN-LBPRGKRZSA-N 353.382 2.045 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CCOC12CN(Cc1ccc(Cl)cc1)C2 248024668 RZFBAWZZCINVQE-MRXNPFEDSA-N 366.889 2.426 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257231600 GHKZDQLRNKASSC-KRWDZBQOSA-N 357.458 2.358 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(C(=O)Cc2ccsc2)CC1 257217729 DAJFXCUYEQMRHP-UHFFFAOYSA-N 358.467 2.123 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2cccc(OCCO)c2)n1 257216813 CWEDRBINMQLUNM-LJQANCHMSA-N 356.470 2.246 0 40 FEAB CC(C)c1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)on1 257310870 UGYZTEHGPGZPSX-LJQANCHMSA-N 358.442 2.297 0 40 FEAB CNc1cc(CNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2cccnc2)n1 257308285 TWEDQXKQIYCKJA-SAZUREKKSA-N 355.442 2.402 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1Cc1ccco1 253590870 GMCUMBFFOSKXSJ-AWEZNQCLSA-N 351.410 2.378 0 40 FEAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)Cc3cccnc3)CC2)s1 257254569 KDRTZBBYEVAJJX-UHFFFAOYSA-N 372.494 2.363 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 257294813 QVVLXBYZXSRILF-RDJZCZTQSA-N 359.426 2.293 0 40 FEAB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 260897701 KFSXQCFMTVAIKQ-CJNGLKHVSA-N 356.488 2.401 0 40 FEAB CC(C)c1nc(C(=O)NC2CCC(C(N)=O)CC2)nn1-c1cccc(F)c1 605126165 ONARHILPHCLIJG-UHFFFAOYSA-N 373.432 2.304 0 40 FEAB Cn1ncc(Br)c1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643819245 FFFUUXWNAFFGRE-IINYFYTJSA-N 354.252 2.163 0 40 FEAB O=C1NCCN1[C@H]1CCCN(c2cc(N3CCc4ccccc43)ncn2)C1 644115221 KJFIUYIYWHRTHP-INIZCTEOSA-N 364.453 2.165 0 40 FEAB C[C@H]1C(=O)N(C)CN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 646125159 GCNRZNRREDGSSV-VIFPVBQESA-N 366.393 2.147 0 40 FEAB CC[C@H]1C[C@@H](NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)CCO1 665171455 XTQFGGMUBUEMBV-LISAXSMJSA-N 362.474 2.380 0 40 FEAB CCC[C@H](CC)C(=O)N(C)CCN(C)C(=O)CNC(=O)CCC(C)C 1775989812 SGBSVGVDNPOQFI-INIZCTEOSA-N 355.523 2.282 0 40 FEAB CC(=O)NCc1ccc(C(=O)N2CC(C)(C)C(=O)Nc3ccncc32)cc1 1775961481 DGDMRCMWYACYFV-UHFFFAOYSA-N 366.421 2.343 0 40 FEAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1)C(=O)OC 36576265 AZAXPLJJQQAZRH-NUTKFTJISA-N 371.441 2.050 0 40 FEAB biogenic O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@H]1CN1CCCC1 585098068 SYSLSIWIVTYTSD-KRWDZBQOSA-N 356.445 2.462 0 40 FEAB O=C(NC1CCN(c2nnnn2-c2ccccc2)CC1)c1cccs1 57149537 VHTGWNUZPGFFEO-UHFFFAOYSA-N 354.439 2.123 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccs2)C(=O)C1 1565522367 NZKNMRHGWQKVKY-UHFFFAOYSA-N 356.329 2.046 0 40 FEAB O[C@H]1[C@H](NC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 952844635 DBYCJLIIEGBOPY-LTFPLMDUSA-N 355.438 2.108 0 40 FEAB biogenic,in-vitro O=C(NCc1nc(-c2ccccc2F)cs1)N[C@@H]1CC[S@@](=O)C1 574465704 DAAGPYXAKFOAOF-DJNLSKAYSA-N 353.444 2.269 0 40 FEAB Oc1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cc1 12142551 XPNBJRHERJNKHG-HNAYVOBHSA-N 352.438 2.281 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCn3nccc3C)nn2c(O)c1C 12336968 GVGFCHPCBHFPMR-INIZCTEOSA-N 368.441 2.310 0 40 FEAB CC[C@H](CN1CCCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 12362925 UMNKUTHNZANKTR-MRXNPFEDSA-N 370.497 2.340 0 40 FEAB CC(=O)N1CCC[C@H](c2cc(O)nc(C3CCN(C(=O)C4CC4)CC3)n2)C1 19016992 QOKGRABQHAHYED-INIZCTEOSA-N 372.469 2.024 0 40 FEAB Cc1nc(CN2CCN(C(=O)[C@H](C)Cn3cc(Cl)cn3)CC2)cs1 19285563 ZCCANMCNDWVWJR-GFCCVEGCSA-N 367.906 2.282 0 40 FEAB Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CCN(Cc1ccccc1)C2 19286179 CVAAZSCVZDPSLU-UHFFFAOYSA-N 365.481 2.045 0 40 FEAB O=C(COc1ccccc1)N1CC(n2nc(-c3cccs3)ccc2=O)C1 19373384 BVOLFXIVIHVMNC-UHFFFAOYSA-N 367.430 2.434 0 40 FEAB O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19375467 BOXYYAFFZCXHCM-RBUKOAKNSA-N 364.449 2.100 0 40 FEAB CN(C[C@@H]1CCCN(Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 19461280 VJPLICXXVQSGRV-OALUTQOASA-N 350.528 2.408 0 40 FEAB CN1CCc2nc(C3CCN(C(=O)COc4ccccc4)CC3)ncc2C1 19590679 PHZDSRQLIYELAH-UHFFFAOYSA-N 366.465 2.250 0 40 FEAB CN1CCC2(CC1)NC(=O)N(C1CCN(CC3CCCCC3)CC1)C2=O 19699489 QNFIIYMRBDAEBO-UHFFFAOYSA-N 362.518 2.047 0 40 FEAB COc1cc2c(cc1CN1CCC(c3nnc4n3CCNC4)CC1)CCC2 19711171 YKBCIVHOFAARPN-UHFFFAOYSA-N 367.497 2.258 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)NC2CCOCC2)C3)nc1 1888853490 NGQBGRXJHVJAQD-DNVCBOLYSA-N 360.458 2.155 0 40 FEAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccc(F)cc2)CC1 1888855883 UJZATVIHBUGLOY-UHFFFAOYSA-N 370.428 2.472 0 40 FEAB Cc1nnc2ccc(N3CC[C@H](COc4ccc(C5CC5)nn4)C3)nn12 1888881883 CKSSFXOXESUZHV-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB Cc1noc(C)c1C(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@H]2C1 1888888442 CAVHOXUOJZJQDW-HUUCEWRRSA-N 365.437 2.387 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2cn3ccsc3n2)cc(C(=O)OC)c1 15013022 NXTDGCYWJYSQNZ-UHFFFAOYSA-N 373.390 2.150 0 40 FEAB COc1cnc(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)nc1 1614931707 QIAVCNYEXJDHNN-SFHVURJKSA-N 372.450 2.206 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CCN(c3ccsc3)C(=O)[C@H]2C1 1565542286 NNCGPAMLPSGCJD-LRDDRELGSA-N 359.426 2.336 0 40 FEAB O=C1CCC(=O)N1Nc1nc2ccccc2c2nc(-c3ccccc3)nn12 3907059 SICIENGCAUGEBZ-UHFFFAOYSA-N 358.361 2.420 0 40 FEAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccccc4)cc1c32 101078793 ZINLKZASBPPBHS-ZDUSSCGKSA-N 363.417 2.338 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)nn1 207016429 JXWBDBJLFWDGSE-NSHDSACASA-N 358.427 2.022 0 40 FEAB Cc1cc2ncc3c(n2n1)CC[C@@H](NC(=O)c1cc2ccccc2oc1=O)C3 618256709 LCVLMQKEDNVFFJ-OAHLLOKOSA-N 374.400 2.431 0 40 FEAB Cc1ccccc1CC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 40090553 YGYMRMIWSSNEJY-IRXDYDNUSA-N 358.482 2.412 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2c(F)cccc2Cl)cc1 40057853 IJKHIWONWUDZIC-UHFFFAOYSA-N 370.833 2.496 0 40 FEAB COC(CNc1nc(SC)nc2sc3c(c12)CCN(C)C3)OC 20357504 KXJASCAFXNJTIL-UHFFFAOYSA-N 354.501 2.432 0 40 FEAB O=C1Nc2ccccc2[C@@]12N=c1ccccc1=C(O)N2c1ccc(F)cc1 32090554 ZENOTWPCMIBBLB-NRFANRHFSA-N 359.360 2.394 0 40 FEAB Cn1c(C(=O)NCCNC(=O)c2ccc3c(c2)OCO3)cc2ccccc21 20733045 XHVOTLKYXHMTEC-UHFFFAOYSA-N 365.389 2.067 0 40 FEAB CNC(=O)c1cccc(CNC(=O)Cn2ccc3cc(OC)ccc32)c1 46576170 QURXWVBKWMFBJL-UHFFFAOYSA-N 351.406 2.326 0 40 FEAB O=C(NC1C[C@H]2CCC[C@H](C1)N2CC(=O)N1CCCCC1)c1ccco1 1371972 PAAAHASMQCBKHR-IAGOWNOFSA-N 359.470 2.407 0 40 FEAB COCCN1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1Cl 78470765 IPJCVHGTZCZVSB-LLVKDONJSA-N 367.298 2.383 0 40 FEAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 2384855 ABVHKUUPJNVPLM-IMJJTQAJSA-N 362.426 2.403 0 40 FEAB COc1ccc([C@@H](O)CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1 52742366 SCBJHLHHSUSJIC-HNNXBMFYSA-N 358.423 2.016 0 40 FEAB Cn1nc(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc2c1=O 7637682 PBVISVLTJJIWFC-UHFFFAOYSA-N 371.824 2.325 0 40 FEAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010067 KNNSRTVQDCMZAR-UHFFFAOYSA-N 356.513 2.335 0 40 FEAB CCc1nn2c(=O)cc(CSc3nnnn3C3CCCC3)nc2s1 8072349 FPCXCWPJRYRROE-UHFFFAOYSA-N 363.472 2.107 0 40 FEAB CCc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 8076021 TVIRHMWHTZJMLF-UHFFFAOYSA-N 357.435 2.268 0 40 FEAB CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12467336 SHVPLRHXGBSPNO-UHFFFAOYSA-N 372.450 2.198 0 40 FEAB biogenic O=C(NOCc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24861110 MZXFYZFOVJOOTG-AWEZNQCLSA-N 354.362 2.016 0 40 FEAB O=C(NC[C@@H]1COCCO1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 55847746 JZQBNJGPRBIZDD-ZIAGYGMSSA-N 361.467 2.044 0 40 FEAB Cc1ccc(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)c(C)c1 12544530 BYWLZFSQWCVBLR-HNNXBMFYSA-N 353.422 2.121 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C[C@@H](C)C[C@H](C)C1)n2CC 58019513 YZBQVJMGQSXJOG-KBPBESRZSA-N 361.490 2.184 0 40 FEAB CCOC(=O)[C@H]1[C@]2(Cc3ccccc3)C(=O)N[C@]1(C)Oc1cc(O)ccc12 103988512 ANVBFJBRQCOSFD-DUXKGJEZSA-N 367.401 2.290 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 108963383 PLUSFJMDSFBZIR-RKVPGOIHSA-N 362.470 2.477 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)cc1 58180626 JTGXFJZKYDLFEI-IBGZPJMESA-N 371.393 2.311 0 40 FEAB CCN(CC)C(=O)C1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 58202709 OKHDRIBIBCKBLY-UHFFFAOYSA-N 356.470 2.083 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](CCC)C(=O)O)ccc12 2148589 XDZNWFCGULWVRH-OAHLLOKOSA-N 361.394 2.494 0 40 FEAB biogenic COc1ccc([C@H](CNS(=O)(=O)N(C)C(C)C)N2CCCCC2)cc1 48234770 QJOROOBZCPTMEQ-SFHVURJKSA-N 369.531 2.397 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 45615870 GCBFHHUQMPRKRR-QGZVFWFLSA-N 372.469 2.093 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(CN2CCCC2=O)cc1 12733758 DCVMYDYFHZOVOX-UHFFFAOYSA-N 350.378 2.231 0 40 FEAB COC(=O)c1sccc1NC(=O)Cn1cnc2ccc(C)cc2c1=O 48332136 PHYDLZPWFDYHIK-UHFFFAOYSA-N 357.391 2.192 0 40 FEAB COc1ccc2nc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)ccc2c1 12867058 QBOZLFMPWRQFJZ-IBGZPJMESA-N 361.401 2.296 0 40 FEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(F)c(F)c1 12930802 LSIDDPCNERQFBH-UHFFFAOYSA-N 365.405 2.423 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)c1 12934673 PAFVKPGBUYVBOV-NSHDSACASA-N 358.423 2.416 0 40 FEAB CC(C)(NC(=O)C1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCO2 65536863 USKSXVAMKGYXNI-UHFFFAOYSA-N 368.437 2.473 0 40 FEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NCCc1cccs1 14181676 CRASKLRAIUSUMA-UHFFFAOYSA-N 374.491 2.132 0 40 FEAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4513010 MTQYJHHMXDNQSQ-CQSZACIVSA-N 367.405 2.176 0 40 FEAB Cc1cccc(OCCNC(=O)CSc2nnc3nc(C)cc(C)n23)c1 6881604 UGBWQBZQNVFYIN-UHFFFAOYSA-N 371.466 2.337 0 40 FEAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CCCC1 5970736 HXMAAPSJWBMRQG-HNNXBMFYSA-N 373.453 2.485 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 67287640 JHMGZTYAWXAJCP-SFHVURJKSA-N 373.453 2.352 0 40 FEAB CCOC(=O)Cn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O 71279743 RIACVIHHLBSYLG-UHFFFAOYSA-N 372.450 2.478 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 71284582 KURYWWLVUKCXSK-DLBZAZTESA-N 373.453 2.406 0 40 FEAB COCCNC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C 7417476 RMCDZPGNVPVNFK-UHFFFAOYSA-N 352.387 2.177 0 40 FEAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8073531 ASARMYCRJTYFLC-KIUWMYQTSA-N 371.462 2.159 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(n3cccc3)CC2)C1 70004118 IEIHFOLEEUXIPF-MRXNPFEDSA-N 367.515 2.103 0 40 FEAB C/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9358177 HNQKIXJWXGWQKF-SDNWHVSQSA-N 362.817 2.187 0 40 FEAB O=C(COc1ccc(C(=S)N2CCOCC2)cc1)NCc1ccccc1 409248348 QBDPTHNLSCNYIV-UHFFFAOYSA-N 370.474 2.390 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20033593 GYNPGGVVYKMVPU-MDWZMJQESA-N 374.462 2.275 0 40 FEAB Cc1ccsc1CN(C)C(=O)Nc1cnn(CCN2CCOCC2)c1 72309725 KJIKGWNFZQLAQF-UHFFFAOYSA-N 363.487 2.249 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1 9512134 RXWFSKKFRKDVFB-FQEVSTJZSA-N 373.453 2.202 0 40 FEAB COc1ccc(CNC(=O)CCCc2nnc3ccccn23)cc1OC 72405983 VDBLYWYXWWOGCD-UHFFFAOYSA-N 354.410 2.386 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 84668258 DKLJTUXMEMPJHX-DEYYWGMASA-N 368.499 2.197 0 40 FEAB CN1CC(=O)N(CC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)C1=O 84839040 AKHQNKVQHOMPAG-FLVLSHQESA-N 355.438 2.365 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N[C@H](CN(C)C)c2ccccc2)cc1 30499740 ICBIZDRMAHDYGZ-QGZVFWFLSA-N 362.451 2.054 0 40 FEAB C[C@H]1c2nc(CC(=O)N3CC(F)(F)C3)cn2CCN1CC1CCCC1 306134346 NKGKTDZOYPGIAY-ZDUSSCGKSA-N 352.429 2.470 0 40 FEAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1ccc(Cl)cc1)S(C)(=O)=O 37021585 FWSPZOUSFYAREK-RISCZKNCSA-N 362.879 2.036 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@]1(C)Sc2ccccc2NC1=O 71195602 KNPAGMGCIWTWAE-KZULUSFZSA-N 356.451 2.417 0 40 FEAB CC(C)[C@@H](Cn1ccnn1)NC(=O)Cc1ccc(Br)cc1 669464999 OGFSHNWTLUVPCZ-CQSZACIVSA-N 351.248 2.424 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2cnccn2)CC1 70922978 WEBBXNLDBMCVMW-UHFFFAOYSA-N 364.446 2.119 0 40 FEAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)C2(C(=O)O)CC2)CC1 565759518 WFAWQVVUSHCBPH-UHFFFAOYSA-N 365.817 2.271 0 40 FEAB O=C(NCC1CCN(c2ncccn2)CC1)c1ccc(Br)o1 43977331 QWPYGTLXNBBJON-UHFFFAOYSA-N 365.231 2.479 0 40 FEAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1 225127549 HAWJVMNOFABLRY-UHFFFAOYSA-N 371.436 2.134 0 40 FEAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1cc2ccccc2n1C 95476744 YTHWLOISCBIXML-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB COC(=O)C[C@@H](c1cccnc1)c1c(O)nc2ccc(Cl)cn2c1=O 96117149 LCZFHJLPCFJPAP-LBPRGKRZSA-N 359.769 2.144 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 247891037 YMFGYPKWYACBDS-LJQANCHMSA-N 355.438 2.237 0 40 FEAB CCCS(=O)(=O)N1CCc2cc(I)ccc21 256054093 UXFMFMODSNYPBZ-UHFFFAOYSA-N 351.209 2.394 0 40 FEAB O=C(CC1CCOCC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257205165 AXXNCGUHSPCCEA-ROUUACIJSA-N 351.418 2.373 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)ccn1 257263600 LQSAHNKYMCLFST-QGZVFWFLSA-N 358.467 2.389 0 40 FEAB C[C@H](NC(=O)CSCc1cccnc1)[C@H](C)C(=O)Nc1ncccc1O 590367718 KQGYKYFOBDYDGW-STQMWFEESA-N 374.466 2.195 0 40 FEAB Cn1cc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c(C(F)F)n1 1123456017 DWEIEVXYCGXBLY-SECBINFHSA-N 367.331 2.424 0 40 FEAB O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CSCN1 638535024 ZXTNACQWGXBADE-MSOLQXFVSA-N 367.474 2.162 0 40 FEAB CC(C)[C@@H]1C(=O)NCCN1Cc1csc(-c2cccc(C(=O)O)c2)n1 652409497 GJYBFSGDHIOHNU-OAHLLOKOSA-N 359.451 2.465 0 40 FEAB COc1ccc(CCN2CCC(CN(C)S(=O)(=O)C3CC3)CC2)cc1 95526617 PZMKAPISTXPVMH-UHFFFAOYSA-N 366.527 2.374 0 40 FEAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cc(F)c(F)c(F)c3)C2)n1 1775958370 UUXHIKVHLBYEBN-OPQQBVKSSA-N 355.316 2.080 0 40 FEAB NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccc(F)cc2)o1 1775976391 QUWVLGPVPCLKDK-ZDUSSCGKSA-N 374.759 2.486 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cccc(OCCO)c2)C1 585276173 MPYALWKXGXBNMX-NRFANRHFSA-N 357.450 2.382 0 40 FEAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCC2CCCCC2)[C@@H](O)C1 585285198 PAGNCRFHIIILMB-UNMCSNQZSA-N 374.525 2.113 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 49346993 NIVLQDCQROVXAD-INIZCTEOSA-N 371.824 2.119 0 40 FEAB COC(=O)CCCCNC(=O)c1cc(Br)c2c(c1)OCCO2 60319048 LXFDMSFBYKCZMP-UHFFFAOYSA-N 372.215 2.293 0 40 FEAB Cc1cc(CNC(=O)NCc2ccc(Cn3ccccc3=O)cc2)on1 64227356 XXCQIVRMZOJLIV-UHFFFAOYSA-N 352.394 2.192 0 40 FEAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5400402 PHHKYEBHDQONLR-LBPRGKRZSA-N 365.389 2.380 0 40 FEAB O=C(c1ccncc1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402910 RDGJBOBCFDICOI-UHFFFAOYSA-N 361.405 2.247 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCc3cc(=O)[nH]c(-c4cccnc4)n3)ccc2O1 19498002 HQMIXOJPUMQKEL-LBPRGKRZSA-N 362.389 2.085 0 40 FEAB CCc1nc(C)cc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)n1 19523152 NBKPHUHSUWCIQN-KRWDZBQOSA-N 367.497 2.347 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2nc(C)c(F)c(=O)[nH]2)s1 19560418 PTUGRWNDFJBFDJ-NSHDSACASA-N 350.419 2.197 0 40 FEAB Cc1c(C(=O)NCCCn2ccnc2C)sc2nc3n(c(=O)c12)CCC3 19565145 STYWLGOPQOPCSX-UHFFFAOYSA-N 371.466 2.038 0 40 FEAB COc1ccccc1C(=O)N1CC[C@H](c2nn(CCN)c3ncccc23)C1 19568606 LKOTZOBFIBXPGX-AWEZNQCLSA-N 365.437 2.028 0 40 FEAB CN1Cc2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@@H]21)OCO4 19795974 GHKISGDRQRSCII-JVPBZIDWSA-N 353.374 2.331 0 40 FEAB in-vitro O=C(c1ccncc1F)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850040 XZNWVXYFNHJTJO-OKILXGFUSA-N 353.401 2.097 0 40 FEAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)C1CC1 1775964178 VODGLFOOJABHKU-HNNXBMFYSA-N 354.410 2.002 0 40 FEAB biogenic,in-vitro CN(C)CCN1CCO[C@@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@H]21 1565549480 XVVJZVNCFDBNEJ-PJHKVULZSA-N 363.527 2.015 0 40 FEAB CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 4496176 KAWOJXKIPJMLBK-UHFFFAOYSA-N 372.855 2.174 0 40 FEAB CCc1noc(-c2ccc(=O)n(CC(=O)Nc3cccc(OC)c3)c2)n1 49007529 GVPAAYQOVGLUMJ-UHFFFAOYSA-N 354.366 2.108 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n[nH]1 19083633 RYEVLMQJQZMDCV-HNNXBMFYSA-N 354.458 2.120 0 40 FEAB COc1cc(OC)cc(C(=O)N(CCC(N)=O)c2ccccc2OC)c1 40016011 BDSLQUWPODKMHH-UHFFFAOYSA-N 358.394 2.235 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N[C@H]2CCCCNC2=O)cc1C 40127540 SHFSJGDGKSNSJN-INIZCTEOSA-N 372.494 2.366 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O 21559181 VOGXQEPANLILRY-YWZLYKJASA-N 354.406 2.300 0 40 FEAB O=C(NC1CCS(=O)(=O)CC1)c1cc(-c2cccc(Cl)c2)no1 84368064 KDVWXSGQNJBHDT-UHFFFAOYSA-N 354.815 2.302 0 40 FEAB Cn1ncc2c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncnc21 32904617 KMWKETPBMDATRO-UHFFFAOYSA-N 374.807 2.118 0 40 FEAB CN1C(=O)N(CC(=O)N2CCc3ccccc3C2)C(=O)C12CCCCC2 21897711 DKOINBLLNOJGTD-UHFFFAOYSA-N 355.438 2.168 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCC1 8560276 KRYNMCCLUOEDRF-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB CCCC(=O)OCC1=C(C(=O)OCC)[C@@H](c2ccc(C)o2)NC(=O)N1 23014480 JUYUCGMEZMTWCL-OAHLLOKOSA-N 350.371 2.102 0 40 FEAB O=C(O)CCCCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 3193230 PQKLTEGVOXFIFQ-UHFFFAOYSA-N 373.405 2.422 0 40 FEAB biogenic CC(C)c1ccccc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 57352557 SBILWLOYMJTZQI-UHFFFAOYSA-N 357.435 2.487 0 40 FEAB CC(C)(CNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCOCC1 24148599 LWQYJOURQGXPES-UHFFFAOYSA-N 350.484 2.004 0 40 FEAB COC(=O)c1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 24728166 WETFFSRRYRKXHD-UHFFFAOYSA-N 367.357 2.316 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 24765856 TXTHEOWZNTUJMP-PEQKASONSA-N 368.543 2.379 0 40 FEAB O=C(c1cccnc1)N1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 108528455 NOFLRSJIEUIQPP-OALUTQOASA-N 355.413 2.336 0 40 FEAB C[C@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 97102675 ZLGXSXDTPFYMRZ-BLLLJJGKSA-N 371.441 2.070 0 40 FEAB C[C@H]1CN(c2cnn(C)c(=O)c2Cl)[C@@H](C)CN1C(=O)OC(C)(C)C 108488875 DPZVPHYFTCOGAG-QWRGUYRKSA-N 356.854 2.268 0 40 FEAB CN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 27027897 CWILWXLKWBBFQF-UHFFFAOYSA-N 357.435 2.244 0 40 FEAB CN(C)CCN(C(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 58023826 AISRTTGXLUBBSF-UHFFFAOYSA-N 367.449 2.397 0 40 FEAB Cc1ccc(F)cc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58172226 DILJYRSXGGVWEH-UHFFFAOYSA-N 361.402 2.125 0 40 FEAB CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 58217719 VIYJCIKMLHZUEM-CYBMUJFWSA-N 360.376 2.407 0 40 FEAB COc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 58224379 VPOQYWVDLMUCDH-IBGZPJMESA-N 353.422 2.234 0 40 FEAB O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccccn1 67897152 IKCLITWZIWKTAE-UXHICEINSA-N 362.433 2.175 0 40 FEAB biogenic,in-vitro CNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 11151772 VPKCPIGDLGRBPQ-UHFFFAOYSA-N 355.423 2.176 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCCCCC1 3329571 BLQJSSASRQEFPL-KRWDZBQOSA-N 368.437 2.033 0 40 FEAB COCCN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 409140993 GLOHFSFTHULPHK-NTEUORMPSA-N 353.396 2.395 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1SCc1cscn1 12948834 SLMALDPOMOBZGF-LLVKDONJSA-N 368.505 2.352 0 40 FEAB CCN1CCC[C@@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1 174235604 YOQRHZVASFVSLN-SNVBAGLBSA-N 350.410 2.488 0 40 FEAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc(F)cc1 8775445 HVNRIRINFBTEGW-JTQLQIEISA-N 351.403 2.494 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](c2ccccc2)n2cccc2)cc1 70785448 HQPCJLGPZFFUTC-GOSISDBHSA-N 369.446 2.041 0 40 FEAB CN1CCN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)CC1 6662051 HTMLXDSTXRHZEI-UHFFFAOYSA-N 353.253 2.350 0 40 FEAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3)c2N)c1 4852134 RRBOJIZRKLBQCP-UHFFFAOYSA-N 353.382 2.178 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15603933 APXZARTVJFTELW-UHFFFAOYSA-N 350.378 2.164 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2c1C 68437625 PLQYPHIRDSQFOQ-OAHLLOKOSA-N 363.483 2.073 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1nn(C)c(=O)c2ccccc12 7831280 HRTVBWNZXHHXKR-UHFFFAOYSA-N 373.416 2.391 0 40 FEAB CC(=O)N[C@@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1 9499106 NRHONEAFRACOJN-SFHVURJKSA-N 368.433 2.384 0 40 FEAB COCC(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 71917667 FOMOKTJQGZBCMT-UHFFFAOYSA-N 350.846 2.079 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N2CCC(C)CC2)cc1 9605027 KISDUGCYCWBYFB-UHFFFAOYSA-N 366.483 2.206 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)[nH]n2)CC1 9727113 FWBFEYMSIOPJRS-UHFFFAOYSA-N 372.425 2.390 0 40 FEAB C[C@H](C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)n1cccc1 95432483 DZFDTPIYFXYXEG-OAHLLOKOSA-N 355.438 2.065 0 40 FEAB O=C(Nc1cc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)ccn1)C1CC1 552095396 RXFKODIOUCYXTI-CQSZACIVSA-N 371.359 2.206 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 408551780 IYDXFTDTAMIGJB-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306132270 LDHSKHYEMIABFR-QFBILLFUSA-N 366.417 2.082 0 40 FEAB Cn1cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cn1 523311337 ZNYLZPYKGALATB-UHFFFAOYSA-N 354.267 2.411 0 40 FEAB COc1ccccc1CNC(=O)c1c(-n2cnnn2)sc2c1CCC2 36365084 HFSPPFGHHHMTOL-UHFFFAOYSA-N 355.423 2.151 0 40 FEAB CCOC(=O)C[C@@H](c1cn(C)nc1C)c1c(O)[nH]c2ccccc2c1=O 72403061 PNNJHTYWKYMGHM-ZDUSSCGKSA-N 355.394 2.361 0 40 FEAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 72227055 KJJDYJHIWZQYRS-MOPGFXCFSA-N 372.421 2.132 0 40 FEAB CN1CCN(Cc2ccccc2CNC(=O)Cc2cccc(F)c2)CC1 40089779 WCTAQYWDZZGVJC-UHFFFAOYSA-N 355.457 2.432 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc(N)s2)CC1 222639662 XWINAJSRBYSCTO-UHFFFAOYSA-N 368.484 2.006 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)cn1 40268930 KZCVAESSIQGYHP-UHFFFAOYSA-N 356.357 2.008 0 40 FEAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCC(C)C)n2)c1 49546158 SJPQHYPQVGQHTK-UHFFFAOYSA-N 351.790 2.486 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O 577778948 KBICROGNTXAMCM-WTGUMLROSA-N 363.498 2.295 0 40 FEAB O=C1CS[C@H](c2cccc(O)c2)c2c(O)nn(C3CCOCC3)c2N1 96117301 SQFPDPZGCVZJQL-OAHLLOKOSA-N 361.423 2.421 0 40 FEAB CCN(CC)[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 96113465 UCMLLBBHPGZSBZ-RTBURBONSA-N 374.529 2.399 0 40 FEAB biogenic,in-vitro CC(=O)c1cn(CC(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 331572591 HSRWNFPXXHJDPI-RDTXWAMCSA-N 356.426 2.086 0 40 FEAB CC(C)C(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145359 QVKRFXQPOTVIOS-IAGOWNOFSA-N 350.484 2.095 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCc3nc(N4CCOCC4)ncc32)C1 248154612 YENWCGNOYUVGCN-UXLLHSPISA-N 374.485 2.012 0 40 FEAB COCC(=O)N1CCC[C@H](c2nccnc2-c2ccc(C(=O)O)cc2)C1 257317178 VIRYFUSKHNAQSG-HNNXBMFYSA-N 355.394 2.194 0 40 FEAB CC1CCN(C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)C)C3)n2)CC1 257341164 ZJBZWCMWDSSWNU-MRXNPFEDSA-N 358.486 2.258 0 40 FEAB COCCOCC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257278115 OAVNBSXGFLCNQQ-UERWRGBPSA-N 372.509 2.392 0 40 FEAB CCc1noc(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CNCC[C@H]32)n1 257258091 KSJLVNWYUMGNOM-BRWVUGGUSA-N 354.454 2.169 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)Nc3nnc(C4CC4)n3C)cc2)CC1 617289461 QKUSZAICRBLEFH-UHFFFAOYSA-N 368.485 2.475 0 40 FEAB O=C(O)c1cccc2c1N(S(=O)(=O)c1cnn(C3CCCC3)c1)CC2 630418449 MQRBDDLSOIAQKF-UHFFFAOYSA-N 361.423 2.448 0 40 FEAB O=C(Nc1[nH]nnc1C(=O)N1CCCC1)N1CCC(c2ccco2)CC1 1672665276 IGJYCOKCGPQISU-UHFFFAOYSA-N 358.402 2.045 0 40 FEAB C[C@@H](NC(=O)NCc1nccc(C(F)F)n1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655879631 RFIYDVOOZSAQKV-KXUCPTDWSA-N 356.373 2.349 0 40 FEAB O=S(=O)(NC1(c2cccc(F)c2)CCOCC1)c1cncc(F)c1 608049048 GYZFFPSZSDECKA-UHFFFAOYSA-N 354.378 2.344 0 40 FEAB CC(=O)NC[C@@H]1CN(C(=O)c2ccn(C(C)C)c2C)C[C@H]1c1cncn1C 1615552004 ZQUWMUBZVOLRCH-SJLPKXTDSA-N 371.485 2.103 0 40 FEAB O=C1C[C@]2(COCCN(Cc3ccncc3)C2)CN1Cc1ccccc1 585104844 UUQQVIWJKQFTGD-OAQYLSRUSA-N 351.450 2.333 0 40 FEAB CO[C@@]1(CCC(=O)NCCc2ccccc2F)CCCN(C(C)=O)C1 585280785 OYABMONFXAWJJH-LJQANCHMSA-N 350.434 2.292 0 40 FEAB CO[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)[C@H]1CCC(N)=O 585277776 LFACLSVTJYROJB-ROUUACIJSA-N 359.470 2.172 0 40 FEAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCC2CCCCC2)C1 585285109 NYLSMHDCEBKTEY-RBBKRZOGSA-N 374.525 2.113 0 40 FEAB O=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2nncs2)CC1 828228833 YPWMOHKZOYBQRE-UHFFFAOYSA-N 357.395 2.272 0 40 FEAB Cc1cc(Cl)ccc1OCCCNC(=O)N1CCC(C(N)=O)CC1 56961041 AEIFDGSZIXICNM-UHFFFAOYSA-N 353.850 2.324 0 40 FEAB COC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 59326250 JQQLIRFNSLPUOO-UHFFFAOYSA-N 357.395 2.135 0 40 FEAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)[C@H]4CCOC4)CC3)n2n1 585581409 YUAQTTKYVHUIQZ-AWEZNQCLSA-N 357.458 2.164 0 40 FEAB O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 1641488156 UWWOMUXUTNHAHQ-DYESRHJHSA-N 368.408 2.099 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549161660 IGZOJVJNYYAGBJ-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB Cc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2cc3sccc3n12 5108753 MNJLNVVAJDBUKY-UHFFFAOYSA-N 370.409 2.475 0 40 FEAB CC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120554 KTHCIADLPZDQMU-QGZVFWFLSA-N 367.453 2.101 0 40 FEAB COc1cccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)c1 13006831 GQKOEPXQSKWIFQ-UHFFFAOYSA-N 367.449 2.375 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 13580512 HAIUMNCMTJNQOM-CYBMUJFWSA-N 372.462 2.007 0 40 FEAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=COCCO1 14094863 NJMXEDDIICFGBP-UHFFFAOYSA-N 358.316 2.369 0 40 FEAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1 16638826 FQPAZQHGAXJLIL-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 6201923 WTJYDBMHYPQFNJ-HNGBHZAESA-N 368.470 2.222 0 40 FEAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)CCC(F)(F)F 225712835 CWDIEBFGOCQNOW-CQSZACIVSA-N 367.389 2.091 0 40 FEAB C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc(C2CC2)ccc1=O 575609004 QUNHTQYOARRUSU-AWEZNQCLSA-N 370.428 2.170 0 40 FEAB O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 36110275 FRWYMOGFMFEIKK-UHFFFAOYSA-N 369.440 2.290 0 40 FEAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 14236315 JBKLUBKTEXAKAC-UHFFFAOYSA-N 374.462 2.245 0 40 FEAB O=C1CO[C@]2(CCCN(C[C@@H]3CCOC3)CC2)CN1c1cccc(F)c1 2037989056 SVKNUYIHZADHSV-JXFKEZNVSA-N 362.445 2.450 0 40 FEAB COc1cc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)on1 2056224117 DMMCVPMNENCTBJ-IYBDPMFKSA-N 356.426 2.062 0 40 FEAB C[C@@H]1CN(c2ncnc3ncn(C)c23)CCN1Cc1cc(F)cc(F)c1 2086992592 BEJSKDFVYXPCLK-GFCCVEGCSA-N 358.396 2.352 0 40 FEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(F)cc1F 4941314 LRTKAWIQLHDMHU-GFCCVEGCSA-N 354.353 2.095 0 40 FEAB COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CO)cc1=O 12230802 FVSCKHHEEJZJBI-UHFFFAOYSA-N 356.300 2.007 0 40 FEAB O=C(COc1ccccc1)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055738848 VQNROMLIPSKPCY-HNNXBMFYSA-N 355.438 2.323 0 40 FEAB O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccsc1)N1CCOCC1 22767409 XQIZITICKSJNDW-KRWDZBQOSA-N 366.508 2.241 0 40 FEAB COc1ccccc1CC(=O)NC1CN(c2ncnc3ccsc23)C1 1775975509 IZOVOGKSYHVDAQ-UHFFFAOYSA-N 354.435 2.247 0 40 FEAB O=S(=O)(NC1CCN(Cc2ccccc2Br)CC1)C1CC1 1259279527 IVMIZHMIPCIZLM-UHFFFAOYSA-N 373.316 2.495 0 40 FEAB O=C(CCC1CCCCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404489 LGPSDFPNPZDPEU-INIZCTEOSA-N 370.501 2.380 0 40 FEAB Cc1ccc2c(c1)N[C@H](C(=O)Nc1ccc(F)c(Cl)c1)NS2(=O)=O 12414553 UCCPBZJSCKZIFX-AWEZNQCLSA-N 369.805 2.456 0 40 FEAB COc1ccc(N2CCC[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)nn1 96118414 XXZGYRURKCQWSO-AWEZNQCLSA-N 369.425 2.299 0 40 FEAB CCOc1cc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 32784439 LIGMNQFUSBRIEI-ZYOFXKKJSA-N 373.858 2.064 0 40 FEAB O=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2633064 VCBXDDWTBDJIQH-UHFFFAOYSA-N 351.387 2.320 0 40 FEAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 2662945 KKTDVGJPSIKDCY-SNVBAGLBSA-N 365.484 2.076 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ncc(C)s1 2661867 JVGPYGLXQIAIRD-AWEZNQCLSA-N 365.480 2.167 0 40 FEAB C[C@@H](c1nn(CN2CCOCC2)c(=S)n1-c1ccc(F)cc1)N(C)C 21641769 FJJFXTYDLBKUHJ-ZDUSSCGKSA-N 365.478 2.455 0 40 FEAB Cc1ccc(CCC(=O)NCC(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc1 76084635 NPARNECCIDZFNX-OAQYLSRUSA-N 372.465 2.278 0 40 FEAB COc1cc(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1C 76494765 LTAGGMZSPWEKIM-RDJZCZTQSA-N 353.484 2.360 0 40 FEAB CC[C@@H]1CCCCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 78739207 FZRGCUFXGQGMEI-NVXWUHKLSA-N 356.532 2.209 0 40 FEAB Cc1ccc(Cc2cnc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)s2)cc1 32912812 KSOCASJNPBWLMD-HIFRSBDPSA-N 362.476 2.192 0 40 FEAB COc1ccccc1N1CCN(Cn2nc3c(cc2=O)CCCCC3)CC1 79474437 PSJASXZLKISQMG-UHFFFAOYSA-N 368.481 2.301 0 40 FEAB COCCCNC(=S)NCCCn1nc(C)c(Br)c1C 2775017 FEOHDCCNNUWJMB-UHFFFAOYSA-N 363.325 2.153 0 40 FEAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC[C@@H]2CCCO2)n1C 32946952 PNLDMKHIIFIXGP-NEPJUHHUSA-N 350.444 2.159 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CCCC3)cc1 3325414 ZYYYDAFFRPLOJB-UHFFFAOYSA-N 364.492 2.247 0 40 FEAB CCn1c(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc21 52842047 QEZILQDCCAPZMD-KDOFPFPSSA-N 358.467 2.126 0 40 FEAB CCOC(=O)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C 4218063 DVPBEXPNYNWGRK-UHFFFAOYSA-N 365.386 2.136 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)Cn1cnc3ccccc31)C2=O 4733189 MJHYAWVSCVHURZ-LAPQFRIASA-N 355.438 2.209 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C 6471784 LOZTUGDEHLEYQW-UHFFFAOYSA-N 363.435 2.368 0 40 FEAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(Br)cc1 6843458 SKASYHWEHWRAPJ-LBPRGKRZSA-N 370.272 2.391 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 7070712 NRMGQWJJESJBJO-CQSZACIVSA-N 356.488 2.305 0 40 FEAB CCOC(=O)c1csc(NC(=O)CCn2cnc3ccccc3c2=O)n1 53458259 TZHSEBCCBPMNSH-UHFFFAOYSA-N 372.406 2.059 0 40 FEAB COCCNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 8982014 KQFPRPXXQYJEMM-UHFFFAOYSA-N 371.768 2.318 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CC1 8502111 VPINOVUMVSJBGC-ZUOKHONESA-N 355.438 2.075 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 20024920 RZMALFKOPYXQAE-UHFFFAOYSA-N 366.414 2.063 0 40 FEAB Cn1ncc2c(=O)n(C[C@H](O)Cn3c4ccccc4c4ccccc43)cnc21 25250310 CNEKRLITRIAXKC-AWEZNQCLSA-N 373.416 2.299 0 40 FEAB COc1ccccc1N1C(=O)C[C@H](Nc2cc(C(=O)O)ccc2C)C1=O 25480270 KTFHFFGAXPBKIY-AWEZNQCLSA-N 354.362 2.446 0 40 FEAB CCCNC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487081 CMYBERACCPDICB-UHFFFAOYSA-N 354.366 2.460 0 40 FEAB C[C@]1(c2cccc(NC(=O)Cc3ccc4c(c3)CCC4)c2)NC(=O)NC1=O 58161397 UQGJIGFNTTYRMU-OAQYLSRUSA-N 363.417 2.411 0 40 FEAB COc1ccc(C)cc1C(=O)CN1C(=O)NC2(Cc3ccccc3C2)C1=O 58370714 QYJNEKOXLHNYNL-UHFFFAOYSA-N 364.401 2.276 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(C)c2ccccc2)c1 3388488 IWJLREDCOMEJGM-UHFFFAOYSA-N 363.391 2.085 0 40 FEAB CCOC(=O)[C@](NC(=O)CC)(Nc1cccnc1Cl)C(F)(F)F 2325766 HOQZYFZFIPPABI-GFCCVEGCSA-N 353.728 2.495 0 40 FEAB CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(O)c1 48369749 DADCXYLIJLIVDO-UHFFFAOYSA-N 360.454 2.227 0 40 FEAB CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O 12819700 DPAZRSVWDPATOH-JLTOFOAXSA-N 360.454 2.444 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 3452730 IVJUEKIOACGCHE-ZDUSSCGKSA-N 362.426 2.424 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12900938 JATRWGYDDPNIHW-UHFFFAOYSA-N 351.406 2.256 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2NC1=O 12982304 OQVGTBGFEWRQKV-QLJPJBMISA-N 352.346 2.126 0 40 FEAB COc1cc(C(=O)NCCc2ccc(C(=O)O)cc2)cc2c1OCCO2 13443561 XNMCGRZYRINSJH-UHFFFAOYSA-N 357.362 2.137 0 40 FEAB CC(=O)c1sc(NC(=O)CN2CSCC2=O)nc1-c1ccccc1 8877104 WJIGNDCXIUBJAB-UHFFFAOYSA-N 361.448 2.484 0 40 FEAB O=C(Nc1cccc(C(F)(F)F)c1)C1=CC=CN2CCS(=O)(=O)N=C12 5278469 RRISQAKOYMXMAR-UHFFFAOYSA-N 371.340 2.142 0 40 FEAB CNC(=O)c1nn(CN2CCC[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 14182830 MELYFEZGWMFMAG-YOEHRIQHSA-N 354.454 2.368 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 14119410 QNVNRQYODQZOLE-QGZVFWFLSA-N 354.406 2.486 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2nccnc2c1 5421906 WERLWHLMPLUCSJ-UHFFFAOYSA-N 365.345 2.212 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 8953746 LEYIPHXRDXNTPG-AWEZNQCLSA-N 371.437 2.046 0 40 FEAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cccc(Cl)c1Cl 5517752 VKQNSXXFTKIEBF-SSDOTTSWSA-N 358.181 2.130 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 14830902 IHQMXJSNSOYUPC-UHFFFAOYSA-N 352.346 2.341 0 40 FEAB COc1ccc(CCNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 7440922 PMMZXKOUKMJXLW-UHFFFAOYSA-N 371.824 2.417 0 40 FEAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)n[nH]c1=O 7476276 VACFFZSLGASTSK-NSHDSACASA-N 350.444 2.499 0 40 FEAB CC(C)C(=O)N1CCC(NC(=O)NCCN2c3ccccc3C[C@@H]2C)CC1 68377766 ZFNXTBWNMMMUGQ-INIZCTEOSA-N 372.513 2.384 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2)C1 16548322 SRDFKTXWBBBYBT-OAHLLOKOSA-N 362.426 2.476 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)nn(C)c2C)c1C 9513390 HZXHXWSTFFDRKO-GFCCVEGCSA-N 361.398 2.197 0 40 FEAB Cc1n[nH]c(=O)nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 19912199 GGHVUTXLMLUDMD-UHFFFAOYSA-N 361.449 2.385 0 40 FEAB CN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 95350049 MBPXQSCQTLWQGD-INIZCTEOSA-N 369.343 2.006 0 40 FEAB CN(C)c1nccc(CN(C)S(=O)(=O)Cc2cccc3cccnc23)n1 95460041 ASRUUVFDJKOEEN-UHFFFAOYSA-N 371.466 2.053 0 40 FEAB CCN(CCC1CCN(C(=O)NCc2nncn2CC)CC1)CC1CC1 95457478 RFAJDRNSSZPQCT-UHFFFAOYSA-N 362.522 2.342 0 40 FEAB Cn1nc(Br)c2c(N3CC[C@H](C(C)(C)C)[C@@H](O)C3)ncnc21 95467556 MJMIZJKVGQJATD-UWVGGRQHSA-N 368.279 2.359 0 40 FEAB O=C(c1ccoc1)N1CCC(NC[C@H](O)COc2ccc(F)cc2)CC1 75110579 OTTVTPTZBQKGSH-KRWDZBQOSA-N 362.401 2.053 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1 23714380 CJDWRXVNNDXMRN-AWEZNQCLSA-N 374.462 2.294 0 40 FEAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408586576 PAIKBRHTHHGPKQ-UHFFFAOYSA-N 361.419 2.380 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)c(Cl)c1 30583915 MIMFVBLEFPJLFB-CFNZNRNTSA-N 374.865 2.423 0 40 FEAB COc1ccc(Br)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 409279275 HEJKORORQDHTDR-LMOYCYGVSA-N 364.195 2.291 0 40 FEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 34378024 UHNVSZUJPQTZTA-LLVKDONJSA-N 361.847 2.312 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(F)c1)CC(=O)N2 31811395 PJZARCJPQZWOEU-LBPRGKRZSA-N 363.356 2.460 0 40 FEAB NC(=O)c1cn(CC(=O)N2CC[C@H](C3CCOCC3)C2)c2ccccc12 535133695 IOBBUYOJOUEDNT-HNNXBMFYSA-N 355.438 2.015 0 40 FEAB CN1CCc2nnc([C@@H]3CCCN(C(=O)CC4CCCCC4)C3)n2CC1 72370910 XHJNFGYNUCKHMU-QGZVFWFLSA-N 359.518 2.442 0 40 FEAB Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccc(C(=O)O)cc3)C2)o1 49170439 VOPWLYFVGBKXFM-AWEZNQCLSA-N 353.382 2.158 0 40 FEAB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1OC 223271561 DRRJYVIVZVBSCO-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 96051492 HMPYWRPAPBBOLQ-KRWDZBQOSA-N 355.442 2.256 0 40 FEAB Cc1cccc(CN2CCOC[C@]3(C2)CN(c2ccsc2)C(=O)CO3)n1 96240196 SEETXTXXNFSDPA-IBGZPJMESA-N 373.478 2.086 0 40 FEAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)COC1CCCC1)C2 96215533 MAAIUAHOIMTURM-FXAWDEMLSA-N 350.503 2.153 0 40 FEAB Cn1cccc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96158445 ZKIMBOZAOAPNPB-UHFFFAOYSA-N 353.470 2.334 0 40 FEAB O=C(N[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12)c1cccnc1 96056361 INGQXXMZAQTPQQ-FHWLQOOXSA-N 355.413 2.383 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 247800809 FSSGUTATWWHOMN-INIZCTEOSA-N 359.422 2.463 0 40 FEAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(CC1CCOCC1)C2 248052451 RQIGWPADNBPRPL-MRXNPFEDSA-N 374.510 2.124 0 40 FEAB CCc1ccc(NCc2ccc(-n3ccnc3)nc2)cc1S(N)(=O)=O 585083624 RFNWHJGFIGSAAC-UHFFFAOYSA-N 357.439 2.089 0 40 FEAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cn2ccnc2)n1 257266221 MCANSXDPNMTSSM-MRXNPFEDSA-N 352.398 2.309 0 40 FEAB C[C@@]1(NC(=O)c2ccc(Cc3ccccc3F)nc2)CCS(=O)(=O)C1 257274246 NKERWOKGTPCGHX-GOSISDBHSA-N 362.426 2.119 0 40 FEAB COc1ccc(O[B-](N)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 263598869 IIJJYMRCHWRPDI-UHFFFAOYSA-N 364.230 2.307 0 40 FEAB CCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 618201439 XOWZPHWKPRZIFA-KXBFYZLASA-N 353.422 2.430 0 40 FEAB CC(C)[C@H]1N(C(=O)NCc2cccc(OCC(N)=O)c2)CC12CC=CC2 645329628 DHRHZHGPJAHFRR-GOSISDBHSA-N 357.454 2.437 0 40 FEAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)CN2CCc3ccccc32)C1 659164940 AFVLHMNHGMHGFC-OLZOCXBDSA-N 356.344 2.161 0 40 FEAB CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ncc4c(n3)CCCC4)CC2)O1 1775958025 YEYICSFFWSYHNJ-ZWKOTPCHSA-N 358.486 2.208 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ncc[nH]1 604419580 HPTSBFJRZACDDS-KRWDZBQOSA-N 373.372 2.163 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 599544179 JMAZNJQPWSPOQC-BXUZGUMPSA-N 373.375 2.135 0 40 FEAB CN(C)c1cccc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1 96377393 IKKPHGNLXXKIAN-UHFFFAOYSA-N 362.426 2.190 0 40 FEAB CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1 656647802 YZSUANCLNUCKAK-AWEZNQCLSA-N 363.439 2.306 0 40 FEAB CCn1cc(CN2CC3(C[C@H](COc4ccccn4)CCN3C)C2)cn1 585103416 VQNXSAIGOUXJMA-QGZVFWFLSA-N 355.486 2.273 0 40 FEAB CN1CCC(c2ncc(C(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)[nH]2)CC1 685942780 VSDLVAAZMPZAAJ-SJLPKXTDSA-N 354.454 2.167 0 40 FEAB O=C(CS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1)Nc1ccccc1 58161634 NDGOWRNPWJXBOV-UHFFFAOYSA-N 362.455 2.340 0 40 FEAB CN(C(=O)CNc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 83855714 WIMJEMOZEUMUFH-GOSISDBHSA-N 358.463 2.411 0 40 FEAB FC(F)(F)c1ccnc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 105697454 VIBGUMUOQWTPMQ-UHFFFAOYSA-N 362.359 2.465 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O 12005980 WHNSBLFYTMECAR-NSHDSACASA-N 362.382 2.391 0 40 FEAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 12184428 JZAOOSWJBJBCDT-UHFFFAOYSA-N 353.382 2.369 0 40 FEAB Cc1nc(=O)c2nnn(C[C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)c2[nH]1 19286482 UNRZOGBAKARRIM-ZDUSSCGKSA-N 374.395 2.013 0 40 FEAB COc1ccc(-c2n[nH]cc2C(=O)NCCSc2nccn2C)cc1 19291529 GBLTVABQFKNGME-UHFFFAOYSA-N 357.439 2.341 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1csc(-c2cccnc2)n1 19942478 FVMCNDYFAOOKDD-UHFFFAOYSA-N 364.452 2.331 0 40 FEAB CCn1ccnc1CNC(=O)NCc1cc(Br)cnc1OC 624150406 HDWCFIMNIRTOEY-UHFFFAOYSA-N 368.235 2.069 0 40 FEAB C[C@H]1CCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 5320340 JATLJHBAMQKRDH-NSHDSACASA-N 359.401 2.098 0 40 FEAB in-man Cc1nn(C)c(C)c1C(=O)N[C@@H](C(=O)O)c1ccccc1Br 659190570 OOAZAOIPBOXBRQ-CYBMUJFWSA-N 366.215 2.355 0 40 FEAB C[C@]1(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)CC1(Cl)Cl 3261113 ZSOQADJDPTUCIG-CQSZACIVSA-N 358.177 2.327 0 40 FEAB CC(=O)N1CCCN(Cc2cc3c(cc2Br)OCCO3)CC1 16443826 NWOZGVGNGTYOIL-UHFFFAOYSA-N 369.259 2.275 0 40 FEAB CC1(C)C[C@H]1C(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863734 CNGVUOUKIQNYNM-JSGCOSHPSA-N 355.442 2.275 0 40 FEAB Cc1csc2c(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)ncnc12 1889125037 DLGDQRIMXFBGAI-NSHDSACASA-N 352.485 2.050 0 40 FEAB CCSCC(=O)N1CCC[C@]2(CCCN(Cc3ccnn3C)C2)C1 2056224540 LVMMRMOZHMYEMJ-SFHVURJKSA-N 350.532 2.378 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccc(OC(C)=O)cc1 5315363 FIJBHCMQROCMGB-INIZCTEOSA-N 360.366 2.062 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1OC 17052209 HCHUCKDXVNVCNA-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB O=C(Cc1cccs1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782274 ZBRDSTMVPLFYTJ-UHFFFAOYSA-N 372.494 2.031 0 40 FEAB COc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2=O)ccn1 1775973059 GBIHKJJWWJVVFZ-UHFFFAOYSA-N 363.776 2.372 0 40 FEAB COC(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 43956856 SIXQWNCMYNDVJN-UHFFFAOYSA-N 360.863 2.238 0 40 FEAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1ccc2c(c1)CCO2 575619999 IOKIAQIQTJSBLR-UHFFFAOYSA-N 357.391 2.150 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 101503370 GCODUJKXEXYZBT-UHFFFAOYSA-N 365.315 2.316 0 40 FEAB CN1C(=O)N(CC(=O)N[C@@H]2CCOc3ccccc32)C(=O)C12CCCCC2 39975957 JVSKPUGVAIKIHY-OAHLLOKOSA-N 371.437 2.223 0 40 FEAB Cc1cc(NC(=O)CCc2ccc3c(c2)OCO3)ccc1-n1cnnn1 40060438 KIIOYOMLVSQBPR-UHFFFAOYSA-N 351.366 2.271 0 40 FEAB O=C1CNC(=O)N1Cc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 40086372 PMIBUWDJXYUVMA-UHFFFAOYSA-N 366.402 2.100 0 40 FEAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O 40478557 JRPRQPYCGFHUNC-UHFFFAOYSA-N 357.454 2.268 0 40 FEAB Cc1cc(C)n2nc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)nc2n1 31565922 CZXIRTGPXMEEPU-KRWDZBQOSA-N 364.453 2.136 0 40 FEAB CCc1ccc(OCC(=O)N2CCN(CCc3ccncc3)CC2)cc1 20896963 XEZDEMFPBLHWFP-UHFFFAOYSA-N 353.466 2.410 0 40 FEAB Cc1c(C(=O)O[C@H]2CCOC2=O)cnn1-c1ccc(C(F)(F)F)cn1 32899344 QALHASZXHUMPPD-NSHDSACASA-N 355.272 2.067 0 40 FEAB C[C@@H]1c2ccccc2CN1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 608139 BHUKYXOYJMLRAK-SNVBAGLBSA-N 365.842 2.209 0 40 FEAB in-man COCCn1c(SCC(=O)OC(C)(C)C)nc2ccccc2c1=O 2623110 JURVNIOBKVLKLF-UHFFFAOYSA-N 350.440 2.477 0 40 FEAB COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 1381029 LVWATCQWEZAMAZ-DYVFJYSZSA-N 359.378 2.482 0 40 FEAB COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 2347793 UUNLKOVJZRQVLO-UHFFFAOYSA-N 372.406 2.000 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 21972538 PHHWJIXVVLOGIY-HNNXBMFYSA-N 350.484 2.487 0 40 FEAB O=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(Cl)cc1 4749210 LERPDENBYRWOAK-AWEZNQCLSA-N 355.799 2.020 0 40 FEAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 12293811 KLTXYBNUWAXXHC-LBPRGKRZSA-N 356.378 2.456 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccncn2)O1 107207236 UAPLJQZUPKTXOB-OAGGEKHMSA-N 358.467 2.023 0 40 FEAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 8750627 UTZGBUSUOWNHKA-UHFFFAOYSA-N 360.435 2.317 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCCCN(C)c1ccccc1 23074513 DZDPZNACMSHPFV-UHFFFAOYSA-N 368.480 2.340 0 40 FEAB Cc1ccc(CN2CCN(CC(=O)Nc3cccc4nsnc34)CC2)o1 22923356 BMOXTWVPQZAXHM-UHFFFAOYSA-N 371.466 2.349 0 40 FEAB C[C@H](C(=O)NC1CCCCC1)N(C)C1CCN(CCn2cccn2)CC1 106131004 VMDFICQAILTBRX-QGZVFWFLSA-N 361.534 2.117 0 40 FEAB CC(=O)Nc1ccc(O)c(C(=O)NCc2cccc(N3CCOC3=O)c2)c1 55287796 UHXYQITXMLZWHF-UHFFFAOYSA-N 369.377 2.237 0 40 FEAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1324840 LPYBEULNPPWEBM-UHFFFAOYSA-N 360.391 2.281 0 40 FEAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 12552056 ZITIDZYGMFZYFR-UHFFFAOYSA-N 353.422 2.200 0 40 FEAB CC(=O)c1cccc(NC(=O)Cn2cc(I)cn2)c1 1432143 ZMICDXZRWJNNLV-UHFFFAOYSA-N 369.162 2.329 0 40 FEAB O=C(NCCc1cc(F)cc2c1OCOC2)N[C@@H]1c2ccccc2C[C@@H]1O 57005098 RBVNRBIENVGCTA-ZWKOTPCHSA-N 372.396 2.192 0 40 FEAB CN(C(=O)Cc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 72313768 PDYJLRWURLDPLT-KRWDZBQOSA-N 354.381 2.154 0 40 FEAB Cc1ccc(N2C(=O)N(C[C@@H](O)COCc3ccco3)C(=O)[C@@H]2C)cc1 48234431 YXKDRWFCYBDORH-GOEBONIOSA-N 358.394 2.323 0 40 FEAB O=C(COC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F 28119510 DHLCWLFVNUINMR-GFCCVEGCSA-N 361.348 2.397 0 40 FEAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1[C@H]1NCCc2ccccc21 2355842 WVCZOAZIUQFJTR-INIZCTEOSA-N 369.808 2.120 0 40 FEAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1nc2ncccn2n1 36618690 FPMJXGIOIXJSFM-UHFFFAOYSA-N 371.763 2.414 0 40 FEAB CC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497559 DBHQMVSXMLWXJG-QGZVFWFLSA-N 355.346 2.211 0 40 FEAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1F)C2=O 24209325 UTVWZPXQRPPPLV-BTUGKURYSA-N 364.417 2.204 0 40 FEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C)C1 13000067 RDWJNBWHBAQPDL-BBRMVZONSA-N 363.483 2.008 0 40 FEAB COc1ccc(CCN(C)C(=O)CSc2nncs2)cc1OC 6084040 MWQKDTCEVMXVTK-UHFFFAOYSA-N 353.469 2.349 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3C)nc2n1 5021416 FHVGQEIZKYEEAT-UHFFFAOYSA-N 373.800 2.498 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1cccs1 8707182 RVNVKIPILWVLOC-HXPMCKFVSA-N 369.446 2.319 0 40 FEAB CCOC(=O)C1=C(COC(=O)C[C@@H](C)c2ccccc2)NC(=O)N[C@H]1C 4413036 AIAJBIFWYORFHK-OLZOCXBDSA-N 360.410 2.242 0 40 FEAB COc1cc(C(=O)Cn2c(=O)n(C)c3ccccc32)cc(OC)c1OC 14122455 CAFNNWNPNCMZDL-UHFFFAOYSA-N 356.378 2.249 0 40 FEAB CC(C)[C@@H](C)NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2 14198998 KCSCOJSYQVBDOK-CYBMUJFWSA-N 363.410 2.125 0 40 FEAB C[C@@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1nc2ccccc2c(=O)[nH]1 6553073 OLLUIRQFGVZCOF-SECBINFHSA-N 366.299 2.443 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6638175 KAFPNKJQHZPFCM-MRXNPFEDSA-N 352.390 2.460 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 4864471 ZYHLEKGWRBBQCB-INIZCTEOSA-N 355.394 2.336 0 40 FEAB Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Br)o2)o1 5824423 PDHGLSQRUDEVSS-UHFFFAOYSA-N 355.188 2.332 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC=CC[C@H]1C(=O)OCC(F)(F)C(F)F 15188355 RDXBMMHFPRBJRS-QJPTWQEYSA-N 367.339 2.308 0 40 FEAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1 6942218 OESJTZJSOWVQOY-UHFFFAOYSA-N 354.284 2.049 0 40 FEAB Cc1nnc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1C1CC1 8249004 YBFHCIXNXIHHPN-AWEZNQCLSA-N 374.466 2.312 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408598135 XGEVMPKNKRWKON-KBPBESRZSA-N 362.451 2.239 0 40 FEAB CC(=O)N[C@@H](C(=O)OC1CN(C(=O)OCc2ccccc2)C1)C1CCCC1 95444273 HOKYUNFJBMIQKG-GOSISDBHSA-N 374.437 2.246 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 95452038 CYPQQUHJHXLTMT-GUYCJALGSA-N 372.469 2.286 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 42697133 KEVJZOUFFBGFRR-UHFFFAOYSA-N 370.902 2.302 0 40 FEAB O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc2c(c1)CCO2 95402688 PXEMBGFGLPFUHW-UHFFFAOYSA-N 351.346 2.011 0 40 FEAB Cc1cc(CNC(=O)Cn2c(=O)nc(O)c3ccccc32)ccc1Cl 544692074 DQAPRQBFQAHZIP-UHFFFAOYSA-N 357.797 2.380 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccccc1Cl 22411204 XFSHCSVINPAOOM-SNVBAGLBSA-N 374.871 2.027 0 40 FEAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898087 DWNPCGOXOJWVSG-DTVLGXAZSA-N 360.435 2.187 0 40 FEAB COc1ccccc1OCCNC(=O)CCn1c(=O)oc2ccccc21 31244499 NXDAVMAFRSSBBX-UHFFFAOYSA-N 356.378 2.188 0 40 FEAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218600354 FZAWCYLHPHPMGY-ULQDDVLXSA-N 369.845 2.356 0 40 FEAB COc1cccc(-n2cc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)nn2)c1 565757188 UDTMEGOVDTYJKC-QMTMVMCOSA-N 369.469 2.078 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCO2 32124020 HVWABYGSKVPTDN-ZDUSSCGKSA-N 353.334 2.144 0 40 FEAB biogenic CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)CC)CC1)CC2=O 225820871 VKFYVKKOGKUASG-UHFFFAOYSA-N 353.440 2.235 0 40 FEAB CCN(CC)Cc1nc(C2(O)CCN(C3CCN(C)CC3)CC2)cs1 225463116 YAKMDGUGEIRSJK-UHFFFAOYSA-N 366.575 2.363 0 40 FEAB biogenic,in-vitro COc1ccc(-c2nn(CC(=O)N3CCC[C@@H](C)C3)c(=O)cc2OC)cc1 96183150 IZNLCBNJBNRGSH-CQSZACIVSA-N 371.437 2.186 0 40 FEAB O=S(=O)(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccccc1 96112504 CBWLOEPVRQTNOR-ZDUSSCGKSA-N 361.398 2.225 0 40 FEAB biogenic,in-vitro O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108232 VEQJNZNGUVSJNT-LSDHHAIUSA-N 356.438 2.453 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 96052359 XTNFVQYXNLFNER-MJGOQNOKSA-N 366.527 2.139 0 40 FEAB COc1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 96115246 HXCLRDMVSCKCDK-INIZCTEOSA-N 373.405 2.043 0 40 FEAB biogenic Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2=O)n1 96048815 IYRNYXJFQFXFAO-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB Cc1ccc(O[C@@H]2C[C@H]3CN(C(=O)c4cnc(C)cn4)CCN3C2)cc1 96183519 ASSBBPMRNSFPSX-FUHWJXTLSA-N 352.438 2.071 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 96245435 PFPYAXNDXHVZTL-GASCZTMLSA-N 350.846 2.183 0 40 FEAB Cc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 96249407 DRNQKIVIWPDGCW-IAGOWNOFSA-N 359.499 2.420 0 40 FEAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 248126739 LZLMBOGQMMHZBA-KRWDZBQOSA-N 366.465 2.230 0 40 FEAB COc1ccc(CC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1 257243028 IFFSHAJJJRKMOU-SFHVURJKSA-N 355.438 2.075 0 40 FEAB COc1ccc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)c(OC)c1 257242562 IDCZNIVDUMAPND-QGZVFWFLSA-N 359.426 2.033 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccc(OC)cc1 257295276 QXQXRCSHKWTHII-QAPCUYQASA-N 373.478 2.420 0 40 FEAB CC(=O)N1CCC(Cc2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 257319297 VRTNTPPJOQUJIC-UHFFFAOYSA-N 373.453 2.388 0 40 FEAB CS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 671426746 WMVFELCEWNHLKV-XHDPSFHLSA-N 354.378 2.076 0 40 FEAB CCNC(=O)[C@H]1CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 1775988703 BDYXBRWRSHVXHD-OAHLLOKOSA-N 351.813 2.160 0 40 FEAB Cc1nnc(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)s1 606443574 IBYFQRZVPYPQER-AWEZNQCLSA-N 352.485 2.253 0 40 FEAB Cc1cc(C(=O)NCC(=O)NCCOc2ccc(Cl)cc2)c(C)o1 55216171 DVHQVLZKWYBPHU-UHFFFAOYSA-N 350.802 2.475 0 40 FEAB COC[C@@]1(C)CN([C@H](C(=O)O)c2ccccc2Br)CCO1 629379924 STNLWINXJSUZQH-DZGCQCFKSA-N 358.232 2.312 0 40 FEAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 37203327 HJDUTIFQSFGUED-KRWDZBQOSA-N 356.401 2.202 0 40 FEAB Cc1ncsc1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 1615190997 JPUNSRVVXFRFHF-KRWDZBQOSA-N 352.431 2.233 0 40 FEAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](C(=O)Nc3cccc(F)c3)O[C@@H]2O1 11859904 RNIOLUYSZZRASJ-YMSVYLFOSA-N 367.373 2.161 0 40 FEAB O=C(CN1CCC(c2nnc(-c3cccnc3)o2)CC1)NC1CCCC1 19341441 RDRMANDIUWSOON-UHFFFAOYSA-N 355.442 2.370 0 40 FEAB C[C@]1(NC(=O)CCn2c(C(F)F)cc3cccnc32)CCS(=O)(=O)C1 19461298 AMWQEJLLZYTSBH-INIZCTEOSA-N 371.409 2.057 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(-n2cccn2)c1 19715392 BYDNKBIHBYTDLA-UHFFFAOYSA-N 351.391 2.282 0 40 FEAB O=C1NN(C(=O)c2cccs2)CC2(CCN(Cc3ccoc3)CC2)O1 13266423 ORISPALRPMVZAR-UHFFFAOYSA-N 361.423 2.473 0 40 FEAB O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCn2nc(C3CC3)cc2C1 575606064 AEJWYJNPTYHDKQ-CQSZACIVSA-N 368.412 2.295 0 40 FEAB O=C(C1CCOCC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001746 JNNAUFHBBOGTDT-UHFFFAOYSA-N 355.438 2.062 0 40 FEAB O=C(COc1ccc(Cl)cc1)NCCn1cc(Br)cn1 28241495 YHOAOSFIIVADEL-UHFFFAOYSA-N 358.623 2.494 0 40 FEAB CCOC(=O)CNC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 4898795 PRFRHNDRJKACLE-UHFFFAOYSA-N 370.434 2.396 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)OCO2 10326476 ZLPGTELXQCHLEA-AWEZNQCLSA-N 354.406 2.169 0 40 FEAB Cc1cccc(CN2CCO[C@]3(CCCN(C(=O)[C@@H]4CCOC4)CC3)C2)n1 2055793215 APLFFVYOYVBMBC-NQIIRXRSSA-N 373.497 2.010 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](COc2ccncc2)C1 1775970300 APUUKINTRCXOLK-OAHLLOKOSA-N 374.462 2.496 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC1 1784706275 QXODSUBKNRRZIV-FIKGOQFSSA-N 371.481 2.351 0 40 FEAB COc1nccnc1O[C@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1 225493585 KPGPAMMRUMNQSF-AWEZNQCLSA-N 367.409 2.125 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)Nc1ccc2c(c1)OCCO2 575619750 PHNKWZNRADTZMC-UHFFFAOYSA-N 368.393 2.301 0 40 FEAB NC(=O)C1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 8583081 KCSYIVROCZBMSD-UHFFFAOYSA-N 356.817 2.171 0 40 FEAB Cc1c(-c2cncn2CCN[C@@H]2CCS(=O)(=O)C2)[nH]c2ccccc12 19719638 UUQBJSSAAFERBD-CQSZACIVSA-N 358.467 2.117 0 40 FEAB CC(C)(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 40050157 SEVCYLRTQADDFP-GFCCVEGCSA-N 360.273 2.030 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cn2)n1 40154823 BAGSFSHFSSTUMW-UHFFFAOYSA-N 360.381 2.317 0 40 FEAB O=C1C[C@H](N2CCN(C3CCCCC3)CC2)C(=O)N1c1ccccc1F 101520843 LPXABNWELRMRIJ-SFHVURJKSA-N 359.445 2.408 0 40 FEAB C[C@H](NC(=O)CSC(=S)N1CCCC1)c1ccc2c(c1)CC(=O)N2 46224447 OFYZWENKQHFDMP-NSHDSACASA-N 363.508 2.472 0 40 FEAB CNC(=O)Cc1nc(CS(=O)(=O)c2ccc(F)c(Cl)c2)cs1 79024216 BVDGBYHALRPJJG-UHFFFAOYSA-N 362.835 2.198 0 40 FEAB Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 79097365 RWPDTQSNCWDRKT-QFIPXVFZSA-N 353.421 2.231 0 40 FEAB CCOc1ccc(CNS(=O)(=O)c2cnn(CC)c2C)cc1OCC 2805127 GWIVHPNVNRQFIO-UHFFFAOYSA-N 367.471 2.487 0 40 FEAB O=C(N[C@@H](C(=O)O)[C@@H](O)c1ccccc1)c1ccc(Br)cc1 3172746 SAORHZONDSOATJ-KGLIPLIRSA-N 364.195 2.366 0 40 FEAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)OC 7605162 MRGPKNVTWSTSGY-UHFFFAOYSA-N 351.428 2.171 0 40 FEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N1CCCC1 8238336 GZRHEEVKXOFYHU-UHFFFAOYSA-N 359.348 2.078 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)cc1 8288567 NNHGBLZWJHCMSF-UHFFFAOYSA-N 363.826 2.407 0 40 FEAB CS(=O)(=O)c1ccc([C@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 3098857 LVIWXYDETRIGBP-LEWJYISDSA-N 366.462 2.411 0 40 FEAB CC(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 23389257 MKNRXLOFTNURHB-HXUWFJFHSA-N 354.450 2.451 0 40 FEAB CCN(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(C)c1 12534763 ZVBARTHRPALJMY-UHFFFAOYSA-N 364.449 2.417 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12530617 QVRBHLFRCWYWQB-QGZVFWFLSA-N 369.446 2.343 0 40 FEAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccc(Cl)cc1Cl 20635217 KXCKRNXGOMDSCK-NXEZZACHSA-N 363.222 2.007 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccsc1 24605617 PNLUANPJOLOFFZ-UHFFFAOYSA-N 352.481 2.046 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 55526440 SFWVGPVHXLQWKJ-UHFFFAOYSA-N 365.433 2.288 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cn1C 55589274 HEEWFCWILBNOJD-UHFFFAOYSA-N 373.434 2.373 0 40 FEAB Cc1ccc(N2CN(CCCN(C)C)Cn3c2nc(C)c(C)c3=O)cc1 101448776 MJLSSCRYXKPLBA-UHFFFAOYSA-N 355.486 2.489 0 40 FEAB CSc1ncc(Cl)c(C(=O)NCCNC(=O)c2ccccc2)n1 44023926 RHUFHDOSXCNPCJ-UHFFFAOYSA-N 350.831 2.012 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]23)cc1OC 103518484 PUIUPDBRYKRYQZ-DOTOQJQBSA-N 370.336 2.135 0 40 FEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCNC(=O)c1cccnc1 58004767 GMWGRRBSFOBFMP-BPQIPLTHSA-N 361.486 2.405 0 40 FEAB COc1cccc([C@@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)c1 10297401 REOJRFHCWSNQPM-OAHLLOKOSA-N 363.337 2.132 0 40 FEAB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 20237371 UGENJZQKBLZPKH-UHFFFAOYSA-N 367.858 2.126 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@@H]1CCN(c3ccccc3)C1)CS2 27837663 VMSWFRNJECMQJZ-GMBSWORKSA-N 359.495 2.083 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 12775239 BYSNBAKLWYGANP-GFCCVEGCSA-N 358.369 2.204 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc21 58738687 BFKIXELYKHZCMH-GOSISDBHSA-N 367.405 2.098 0 40 FEAB CCn1nccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619114 MUSSMXSDODECQA-ZDUSSCGKSA-N 361.409 2.499 0 40 FEAB CCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408597938 WUVTXQRNIBABJI-CQSZACIVSA-N 356.488 2.305 0 40 FEAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 11767458 YAIIPXDZIDRRET-UHFFFAOYSA-N 370.453 2.398 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 3464863 HVRHHJFYCKBGED-BLVKFPJESA-N 357.410 2.328 0 40 FEAB CS(=O)(=O)NCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 12918017 RQRIZGCEQNOJDC-UHFFFAOYSA-N 364.492 2.183 0 40 FEAB CCc1c(C)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]c1=O 13543837 HXHOTSLYZSSUAA-UHFFFAOYSA-N 372.494 2.082 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)cc1 5166081 IPYLVYSLXNDUKX-UHFFFAOYSA-N 357.753 2.372 0 40 FEAB CC(C)[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 14121116 WIZUMDOOTAYHCY-GFCCVEGCSA-N 359.304 2.100 0 40 FEAB Cc1cccn2cc(COC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)nc12 14674777 WWFIBXSLRIQHCM-ZDUSSCGKSA-N 363.373 2.371 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1cc(Br)ccc1=O 9058036 HHBJRZATNUFZEY-UHFFFAOYSA-N 365.183 2.036 0 40 FEAB Cc1ccc(C)c(-n2c(=O)[nH]c(O)c([C@@H]3OC(=O)c4ccccc43)c2=O)c1 9045173 OWQZPBVMLDNBTH-MRXNPFEDSA-N 364.357 2.108 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1nc2c(s1)CCCCC2 71288626 SNMZZORKCYIZSR-UHFFFAOYSA-N 372.454 2.023 0 40 FEAB Cc1c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)oc2ccc(F)cc12 81085245 QIDNJRLDCBUPNN-HNNXBMFYSA-N 360.385 2.390 0 40 FEAB O=C(CC[C@@H]1NC(=O)NC1=O)NCCC(c1ccccc1)c1ccccc1 7987629 COXUDKPXZVCZDL-SFHVURJKSA-N 365.433 2.313 0 40 FEAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)OC)c1 17793249 KLBYGXLQFKHOCR-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-n2cncn2)cc1 9377296 WQNNASVADLPEDM-QGZVFWFLSA-N 351.410 2.427 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 9512220 NWIIQLBIRMONGC-UHFFFAOYSA-N 368.433 2.231 0 40 FEAB COC(=O)CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)C(C)C 97324500 ZZWWNJSRJRLRLC-UHFFFAOYSA-N 359.426 2.454 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCc1ccc2c(c1)OCO2 95458677 JVKFYYBDZBMRHL-OAHLLOKOSA-N 372.425 2.049 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408922833 UBLNPQGWFREMIE-CQSZACIVSA-N 362.451 2.166 0 40 FEAB O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccsc2)CC1 23254153 RICJNZVMRACASB-KRWDZBQOSA-N 350.459 2.445 0 40 FEAB CC[C@H](C(=O)N[C@H](C)COC)N(c1cccc(Cl)c1)S(C)(=O)=O 37021574 WYFZHYNCJXUCIY-BXUZGUMPSA-N 362.879 2.036 0 40 FEAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 33541228 JYPAECIGQFLWEC-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB COCCN1CCC(NC(=O)c2cnc(Oc3ccccc3)cn2)CC1 540212474 LWZFAXYQGWWZLO-UHFFFAOYSA-N 356.426 2.110 0 40 FEAB CCOC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CO)cc(=O)c1O 72324490 HZSHHQBSBIYTNK-HNNXBMFYSA-N 369.373 2.471 0 40 FEAB biogenic O=C(c1n[nH]c2c1CCC2)N1CCN(c2nc3ccccc3s2)CC1 72438018 RJJXEZZELZBETF-UHFFFAOYSA-N 353.451 2.471 0 40 FEAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(N)=O)C(=O)N1CC2 72342034 WLVGPHRXWRPEDQ-LJQANCHMSA-N 367.405 2.077 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](Oc2cnccn2)C1 225477353 IEDAGKXYWUVIAZ-OAHLLOKOSA-N 370.434 2.257 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1cccc(C)c1 226390237 SRQKXODYLGHJSE-KSCVBYKOSA-N 350.418 2.359 0 40 FEAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccccc2)C2CCCC2)c(=O)n(C)c1=O 47917772 MXFAJOIJECGUPJ-HYSAVQALSA-N 367.449 2.145 0 40 FEAB CN(c1cccc(C(=O)NCCSCc2ccco2)c1)S(C)(=O)=O 222410638 WYVADRVSDWAEMG-UHFFFAOYSA-N 368.480 2.339 0 40 FEAB COc1ccccc1OCc1cn(CC(=O)NCc2ccccc2)nn1 227160402 DTIDEDAQTWWOOM-UHFFFAOYSA-N 352.394 2.182 0 40 FEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1F 222916820 ULYVTELYZQPHPZ-OAHLLOKOSA-N 358.413 2.410 0 40 FEAB COc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 225496142 ZHPRWUVSCDJTLS-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 96237723 YIVDXZHSIPTCBW-FQEVSTJZSA-N 353.422 2.151 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)cc1 96226985 KSULYFPOXWMFQI-SIKLNZKXSA-N 363.461 2.488 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCC1CCOCC1 96218913 JFUYQYSTVVHPIN-XUVXKRRUSA-N 358.482 2.209 0 40 FEAB COc1cc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)cc(OC)c1 247874379 GFEALVKJPUDSGE-MRXNPFEDSA-N 371.437 2.306 0 40 FEAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257241396 HXXOZTDHUJPEOU-AWEZNQCLSA-N 363.487 2.368 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257235190 GWVPZSVOEDKWLO-AWEZNQCLSA-N 353.422 2.002 0 40 FEAB COC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1)N(C)C2=O 257287649 PQYMWQZBHFURQP-QGZVFWFLSA-N 358.482 2.494 0 40 FEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C(C)C)CC1 257203296 APKNSYCDOULFOE-SFHLNBCPSA-N 360.498 2.478 0 40 FEAB COC1(c2ccccc2)CN(C(=O)[C@H]2CN(C)C(=O)c3ccccc32)C1 585082751 XHJDFWBCYCQMEU-SFHVURJKSA-N 350.418 2.240 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NCC2=CCCCC2)Oc2ccccc21 260853503 ZBWHXPSOFVTTFE-QGZVFWFLSA-N 364.467 2.220 0 40 FEAB CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCc4noc5ccccc45)[C@@H]1[C@H]3C2 632329385 AWCNIIZAEYLUGJ-GVSKICRLSA-N 362.451 2.055 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3[C@@H]4COC[C@@H]4[C@@H]3C2)cc1OC(F)F 606445695 CITYWGHNLUQEFJ-KPWCQOOUSA-N 353.365 2.190 0 40 FEAB Cc1nccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)n1 676022182 YXKSXCKGQDJGFU-MRXNPFEDSA-N 368.393 2.117 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 96025392 HPNHXUKXCPKTFS-INIZCTEOSA-N 369.439 2.063 0 40 FEAB COc1cccc2c1OC[C@H](NC(=O)NCc1c(C3CC3)cnn1C)C2 585097980 FHFUZQXGFHLXLT-CQSZACIVSA-N 356.426 2.109 0 40 FEAB COCCOc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cn1 57172705 BYRZLJVBYZNVRM-LJQANCHMSA-N 369.465 2.388 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCC(=O)NC1CCCCC1 59921191 XKLLVPGWHKQUEH-UHFFFAOYSA-N 366.483 2.049 0 40 FEAB O=C(c1cccnc1)C1CCN(C(=O)CCn2nnc3ccccc32)CC1 72346675 ATDPPBYZIHZIJX-UHFFFAOYSA-N 363.421 2.338 0 40 FEAB O=C(NCc1cccc(F)c1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000172 ZFOWSYJYWSSKJF-IAGOWNOFSA-N 357.385 2.109 0 40 FEAB COc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1Cl 5540436 BTEPUMDWICJTKO-UHFFFAOYSA-N 368.817 2.233 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)Cc3ccccn3)cc2n1 12223006 ZFNVSXQLOGLRND-MRXNPFEDSA-N 351.410 2.435 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc2ncccc12 14180372 YFFZOGOARDSLCH-UHFFFAOYSA-N 352.394 2.428 0 40 FEAB COc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1-n1cnnn1 19221127 GGLPMVYVIFIYHC-UHFFFAOYSA-N 362.393 2.433 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)c(OC)c1 19551902 JDSDDBZGTBTFDH-LBPRGKRZSA-N 367.409 2.390 0 40 FEAB COc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19590699 NALZFRTWGPSAQP-UHFFFAOYSA-N 366.465 2.493 0 40 FEAB CC(=O)N1CCO[C@@H](c2c(C(=O)NCC(F)F)sc3ncccc23)C1 19705496 JMBLERFMMRAUHI-LLVKDONJSA-N 369.393 2.211 0 40 FEAB Cc1ccc(CC(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc1C 19711014 LGDVIFQXROBSIX-UHFFFAOYSA-N 367.497 2.289 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)n2nccc2C)cc1S(=O)(=O)NC(C)C 19716733 NYYNJFBBOVEAHM-AWEZNQCLSA-N 364.471 2.386 0 40 FEAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930032 QSCUEZJCLZXEIP-LLVKDONJSA-N 362.879 2.274 0 40 FEAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 6322476 KPYJZAQIRSCCLL-NYYWCZLTSA-N 374.736 2.324 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(Cc3c(C)noc3C)CC2)n1 1889091575 OSJCPXVDGPYYRK-UHFFFAOYSA-N 356.474 2.312 0 40 FEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(Oc3cccnc3)C2)cc1 238815525 BJGHOIZSEVFRSU-UHFFFAOYSA-N 374.462 2.096 0 40 FEAB COc1ccc(CNC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 5797328 TUSFQXAFVXLNMB-UHFFFAOYSA-N 363.373 2.468 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9828182 GOJPBIRULUJALW-UHFFFAOYSA-N 364.398 2.399 0 40 FEAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c(C)c1 10233802 IBFOENUEASMPTF-UHFFFAOYSA-N 367.453 2.321 0 40 FEAB Cc1nc2ccccc2n1C1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 1775974269 OORDXGTYVGHCJI-UHFFFAOYSA-N 374.400 2.024 0 40 FEAB Cc1cc(OC2CN(S(=O)(=O)c3cc(Cl)ccc3C)C2)cc(=O)o1 206962004 ACTCPJOPBRHKJX-UHFFFAOYSA-N 369.826 2.362 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 2099191 STNXFILTVQCXMN-QGHHPUGFSA-N 361.394 2.355 0 40 FEAB biogenic CC[C@@H](C)n1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20611939 XWJGEPHQRHMSAS-DIFFPNOSSA-N 368.437 2.272 0 40 FEAB biogenic O=c1c2c([nH]c3nc(NCc4cccc(Br)c4)nn13)CCC2 101272068 IFGWXIZJNZMGGM-UHFFFAOYSA-N 360.215 2.281 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)NCCCN3CCCCC3)CC2=O)c1 40059600 HDKFFDRMUCZBIU-INIZCTEOSA-N 359.470 2.040 0 40 FEAB COc1ncccc1CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 40068245 TZKYYLDVZNGPHZ-UHFFFAOYSA-N 357.454 2.039 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)nc1 40154799 APWYDIATIZEPDW-AWEZNQCLSA-N 356.426 2.100 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCC[C@@H]1Cc1ccccc1 30763046 FAHOAVQLMVYWLM-KURKYZTESA-N 352.434 2.171 0 40 FEAB CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ccc2ccc(OC)cc12 101182898 RFYIHVWIVWJBPC-KRWDZBQOSA-N 371.462 2.396 0 40 FEAB CCc1noc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1 32804164 ISPSYWOGIKTVAQ-UHFFFAOYSA-N 354.454 2.429 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1nc(N2CCCC2)ncc1Cl 52577873 RVRAVHRHXZLDPW-CYBMUJFWSA-N 360.849 2.271 0 40 FEAB CCOc1ccccc1NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 8742564 IOKZBZBIMJOFHB-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813941 VYBDRQOVXQUALS-UHFFFAOYSA-N 368.499 2.273 0 40 FEAB CCOC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 866348 NDJZFHOVNXEJSL-ZFWWWQNUSA-N 368.455 2.045 0 40 FEAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1cccc2ccccc12 1588002 VFEWZBLSTXKJCR-UHFFFAOYSA-N 365.345 2.016 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(=S)nc[nH]c32)cc1 1752165 HGMSYXCYYYFDHB-UHFFFAOYSA-N 357.395 2.304 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C[C@H]1C=CCC1 7937840 OHNLLTJYNDLTAK-VIFPVBQESA-N 353.396 2.303 0 40 FEAB CSc1nnc(SCC(=O)NC[C@H]2Cc3ccccc3O2)s1 53481136 GDHOVILBDQQJJK-SNVBAGLBSA-N 353.494 2.472 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1F 103798549 COYLLHMLRBTBSN-USJZOSNVSA-N 369.396 2.459 0 40 FEAB C[C@@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 103119196 KHGBNZFTJCISQK-TUVASFSCSA-N 372.421 2.079 0 40 FEAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1F 42267639 QEXCNELFHCTCDU-UHFFFAOYSA-N 371.773 2.369 0 40 FEAB c1ccc(CN2CCOC[C@]3(C[C@@H](CNc4ccccn4)CO3)C2)nc1 107243549 MYCMLSNFVDBMNQ-PXNSSMCTSA-N 354.454 2.196 0 40 FEAB CCn1cc(S(=O)(=O)Nc2ccccc2OCCN2CCCC2)cn1 57823206 XDVSWCFNROZDKA-UHFFFAOYSA-N 364.471 2.178 0 40 FEAB O=C(NC[C@@H]1COCCO1)[C@H]1CCCN(c2nc3ccccc3s2)C1 55847745 JZQBNJGPRBIZDD-UONOGXRCSA-N 361.467 2.044 0 40 FEAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCN(c2nccs2)CC1 27133914 MFTZUWVJCSFZBO-OAHLLOKOSA-N 370.478 2.383 0 40 FEAB S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ccccn2)CC1 3330107 BWBPHVPQKGMRJB-UHFFFAOYSA-N 356.451 2.007 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014554 ABVNLHFYPDEWBE-LUKYLMHMSA-N 351.406 2.215 0 40 FEAB CN1CCN(C(=O)CN(C)C(=O)c2ccccc2)[C@H](c2ccccc2)C1 44681008 PZVZXLKDRPFYAD-IBGZPJMESA-N 351.450 2.274 0 40 FEAB CCOc1ccc(C(=O)N2CCC[C@@H](c3ccnc(COC)n3)C2)cn1 58296216 CBOQQRQWSWYGHS-OAHLLOKOSA-N 356.426 2.437 0 40 FEAB CC(=O)c1sc2nc(CSc3nnnn3C3CC3)[nH]c(=O)c2c1C 8344015 PBPDXPQHPYKSGW-UHFFFAOYSA-N 362.440 2.109 0 40 FEAB Cc1nc(SCc2cc(=O)n(C)c(=O)n2C)c2c3c(sc2n1)CCC3 11317008 BHSKNWLLONTTPN-UHFFFAOYSA-N 374.491 2.178 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 3461876 HVTOLWDMXDDAMV-UHFFFAOYSA-N 356.334 2.169 0 40 FEAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 12936510 BFGOZCSUOZVRLK-LBPRGKRZSA-N 365.389 2.114 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1 4165959 KRQYSWBECSLROC-UHFFFAOYSA-N 363.352 2.360 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8536542 GNWNKXIBIXRGNX-FKIZINRSSA-N 369.421 2.255 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1ccc(Cl)cc1 5291793 KFVXXQOOUINIEI-UHFFFAOYSA-N 363.845 2.253 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccc(F)cc2s1 14093257 MFDPOBPFEUWZMO-UHFFFAOYSA-N 362.386 2.239 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 14167825 HMVGQAGQRRAVBM-HZPDHXFCSA-N 352.390 2.014 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NC(C)C 14239407 YHMCXOXBVSFXTN-CQSZACIVSA-N 358.529 2.228 0 40 FEAB CCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 6509768 QIRIDFSODIFOBB-UHFFFAOYSA-N 354.403 2.136 0 40 FEAB COC(=O)Cc1nnc(NC(=O)c2cccc(Br)c2)s1 5561251 OMNPHVIYKYUTCO-UHFFFAOYSA-N 356.201 2.268 0 40 FEAB COc1ccc(OC)c(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)c1 5670241 KUECFSHSRDNLBD-HNNXBMFYSA-N 371.372 2.321 0 40 FEAB CN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1 7133153 XHLUOOJQMQSYTP-UHFFFAOYSA-N 365.480 2.087 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 7598766 POMKHKFOIDSXLP-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB CNC[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870916 CORHTNUNKXTNTB-VIFPVBQESA-N 353.307 2.049 0 40 FEAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 71798135 LIQFJFFHWNXOML-UHFFFAOYSA-N 366.439 2.200 0 40 FEAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nc(C(C)(C)C)ncc2C1=O 306130994 JUHZBLVPIIGMOB-UHFFFAOYSA-N 356.470 2.130 0 40 FEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccnn1Cc1ccccn1 89505767 QCBQTJTZNDFYOS-CYBMUJFWSA-N 367.457 2.429 0 40 FEAB CC(=O)N1CC[C@H](CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)C1 89545024 RMZZSYWQBLTLQY-OAHLLOKOSA-N 358.417 2.260 0 40 FEAB CC(C)CC[C@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24092850 IIMUQNVRJBHCOD-BEFAXECRSA-N 366.433 2.450 0 40 FEAB O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408493954 MLUPZFXPTKXJIY-VWYCJHECSA-N 371.842 2.352 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218588560 LFLHUJWIIGKJIL-HEHGZKQESA-N 374.890 2.073 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217526110 BFTSIOPTFTZDCP-JSGCOSHPSA-N 370.471 2.443 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218631177 WOPXPTNWOGZEJA-HLLBOEOZSA-N 365.838 2.370 0 40 FEAB Cc1cc([C@@H](C)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C)s1 181028908 QGXQFTBTTIPTCJ-LLVKDONJSA-N 369.512 2.445 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2cnc3c(c2)c(C)nn3C)c1 568479891 VWXFUHPLLGZXJP-MRXNPFEDSA-N 368.393 2.231 0 40 FEAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NC3CCN(C)CC3)ccc21 225719074 RXYYVYGLFGNDLM-UHFFFAOYSA-N 369.512 2.016 0 40 FEAB COC(=O)[C@@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1 45889691 HGLUKKSRRYSUHC-SNVBAGLBSA-N 373.190 2.434 0 40 FEAB COCC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 44829889 BYZIWKBNLPDKMS-QGZVFWFLSA-N 367.405 2.324 0 40 FEAB O=C(NCc1ccccc1Cl)[C@H]1COCC(=O)N1Cc1cccs1 85472545 NBIYDCZRCWAZLI-OAHLLOKOSA-N 364.854 2.445 0 40 FEAB S=C(NCCCN1CCOCC1)Nc1nccc(-c2cccs2)n1 225186390 LNJLEJZVYDJWPG-UHFFFAOYSA-N 363.512 2.214 0 40 FEAB CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(S(N)(=O)=O)cn2)o1 331972537 RKPZPBDVPMEXJD-HNNXBMFYSA-N 363.439 2.252 0 40 FEAB CNC(=S)Nc1nc(C(=O)OC)c(C(=O)c2ccc(OC)cc2)s1 94992695 SGSFBEAAJRBAHD-UHFFFAOYSA-N 365.436 2.086 0 40 FEAB Fc1cnc(N2CC[C@]3(C2)CN(C2CCOCC2)CCC3(F)F)nc1 96239783 ZPBAYAFUKOTDBE-MRXNPFEDSA-N 356.392 2.332 0 40 FEAB COC[C@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cccnc1OC 96197882 NTRYVFDGQMACLF-INIZCTEOSA-N 356.426 2.083 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCc2cncn2C)cc1 583623750 RTTHPVAZZSUOQW-ICSRJNTNSA-N 357.454 2.260 0 40 FEAB O=C(Cc1ccccc1F)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247876050 TZUWWKJDHQHDLG-MRXNPFEDSA-N 356.397 2.460 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)COc2ccccc2F)n1 257213738 CIWUFEOGHXPRMW-INIZCTEOSA-N 358.417 2.420 0 40 FEAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(Br)c(C)c1 51768876 GSQNOECAWHXMEO-UHFFFAOYSA-N 364.261 2.331 0 40 FEAB COc1ccccc1OCC(=O)NCCNC(=O)N[C@H]1CCCC[C@@H]1C 586426123 BJMMRXLVPZVQBD-GJZGRUSLSA-N 363.458 2.068 0 40 FEAB CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2cncc(N(C)C)n2)o1 257234256 GSUXJZKCDJJXFP-CQSZACIVSA-N 358.446 2.345 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257294707 QVINQDFRXMPWLY-HNNXBMFYSA-N 353.419 2.348 0 40 FEAB Cc1nn(C)c2nc([C@@]3(C)CCCN(CC4(O)CCOCC4)C3)ccc12 257311549 UJZUELBIGWOHSZ-IBGZPJMESA-N 358.486 2.172 0 40 FEAB Cc1cc(C(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)no1 257247021 IXAVOHBPFCLZID-ZVZYQTTQSA-N 370.409 2.020 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccc(-c3ccco3)nc2C)C[C@H]1c1cnn[nH]1 622168542 DLKWQJDBBYOUFB-SUMWQHHRSA-N 353.382 2.023 0 40 FEAB CCN1C(=O)CO[C@H](c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)[C@H]1c1nccn1C 624650774 LJSVOCOYUXIONS-KLUNEYRZSA-N 371.441 2.368 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3coc(=O)c4ccccc34)C[C@@H](C)O2)n1 628863275 BVRVQIFRJISARS-MEBBXXQBSA-N 355.350 2.087 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 298204946 LORBSOSMCWAVFC-ZIAGYGMSSA-N 362.451 2.239 0 40 FEAB O=C(NC[C@H](c1cccs1)n1cccn1)[C@@H]1COc2ccccc2O1 575612617 BKIJJZVDDHGXBJ-CJNGLKHVSA-N 355.419 2.490 0 40 FEAB Cc1nc(CN2CCC3(CCN(C(=O)Cc4ccn(C)n4)CC3)C2)cs1 585099757 OWGUMMLQONBULP-UHFFFAOYSA-N 373.526 2.242 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCn3ccc(C)n3)C2)cc1 585271604 IADMOISQVODBGI-FQEVSTJZSA-N 357.454 2.323 0 40 FEAB COc1cccc(OCC(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 44448678 FIVCYRIRFIAKMW-UHFFFAOYSA-N 359.426 2.023 0 40 FEAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCO3)cc1OC 46171545 XTOXMAJZZXTIOT-UHFFFAOYSA-N 363.435 2.459 0 40 FEAB Cc1noc([C@]23CCC[C@H]2CN(C(=O)CCc2c(C)nn(C)c2C)C3)n1 685942373 JWOHQQIDWNATSA-KXBFYZLASA-N 357.458 2.241 0 40 FEAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1nc(CC2CC2)no1 685940599 PFZHFEHBNCCFBB-CQSZACIVSA-N 358.446 2.174 0 40 FEAB CCCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 55298100 WPXIJGQVYPBHML-UHFFFAOYSA-N 365.499 2.066 0 40 FEAB Cn1cc(-c2cncc(CNS(=O)(=O)c3c(F)cccc3F)c2)cn1 585401263 MZXMOTSZNRXEQX-UHFFFAOYSA-N 364.377 2.239 0 40 FEAB COc1cc(-c2cnc(N3CCOCC3)nc2-c2ccco2)nc(OC)n1 12327890 YKWVUQKOBFPIQE-UHFFFAOYSA-N 369.381 2.047 0 40 FEAB COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 13566221 DPPLEOROVGYKEO-SCLBCKFNSA-N 373.453 2.351 0 40 FEAB Cc1nc(CNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)no1 19286061 MTCYUFZZBLWGND-UHFFFAOYSA-N 353.382 2.145 0 40 FEAB Cc1ccc(S(=O)(=O)NC2=NCN([C@@H]3CCC[C@@H](C)[C@H]3C)CN2)cc1 19339186 PQKMFLZHIKHBLP-BFYDXBDKSA-N 364.515 2.274 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H]2c2cc(CN(C)C)n[nH]2)c1OC 19708918 KFMUBNLRFLSBAG-INIZCTEOSA-N 358.442 2.466 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1 19819967 SJKHXYALHQTFSU-CYBMUJFWSA-N 366.425 2.032 0 40 FEAB Cc1nc(C2CC2)nc(OCC2CCN(c3cc(=O)n(C)cn3)CC2)c1C 1888864207 QDZNHTABFBHASY-UHFFFAOYSA-N 369.469 2.360 0 40 FEAB CC(C)c1nc(N2CCN(C(=O)NCc3ccccc3)CC2)nc(O)c1F 1888891089 ZOYPXWRJTQTGKM-UHFFFAOYSA-N 373.432 2.477 0 40 FEAB COCC(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888964208 CJVQRZJYMFGZFI-UHFFFAOYSA-N 363.421 2.439 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)cn1 1614947360 HJWWQHPOTUENAT-QGZVFWFLSA-N 359.470 2.180 0 40 FEAB COCc1cn([C@@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 1565523762 UZACZCLQGMERTP-MUGCCGGLSA-N 359.474 2.350 0 40 FEAB COc1cccc(C(=O)NCc2nnnn2-c2ccc(Cl)cc2)c1OC 16960736 FSOZZNWMIPSWCS-UHFFFAOYSA-N 373.800 2.263 0 40 FEAB COCC(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3csc(C)n3)C2)C1 2055806648 IYCXUXDDFJNULG-OAHLLOKOSA-N 359.442 2.158 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cn(-c2ccncc2)nn1 585402052 XPRQEKKEGMIEJH-UHFFFAOYSA-N 365.422 2.148 0 40 FEAB Cc1cc(CN(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)on1 585593935 OXPRPYAIDMFWME-UHFFFAOYSA-N 353.430 2.009 0 40 FEAB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1 22735921 GSCYDXVAHRIDJG-UHFFFAOYSA-N 365.441 2.216 0 40 FEAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 36579967 IUTQILASXHKARJ-BMIGLBTASA-N 362.817 2.282 0 40 FEAB C[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)Cn1cccn1 40154836 ZNSMRYFDABUSCM-WBVHZDCISA-N 372.444 2.327 0 40 FEAB O=C(NCCc1ccccc1)c1nnn2c1[nH]c(=O)c1cc(Cl)ccc12 20735272 PCZHUACUTMQBOA-UHFFFAOYSA-N 367.796 2.197 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 20900216 DXYGUXSDSYXVPW-UHFFFAOYSA-N 368.817 2.416 0 40 FEAB COc1cccc(N(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 32876263 QMXNRGZURYSSRD-UHFFFAOYSA-N 361.423 2.042 0 40 FEAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccn1 11867238 RYNWOJBFCBAAOA-UHFFFAOYSA-N 352.394 2.284 0 40 FEAB Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33040100 VMCMZYNGCUFGJF-UONOGXRCSA-N 361.467 2.320 0 40 FEAB CN1CCC(CCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 103320287 YCBZBYUBHGRPIP-UHFFFAOYSA-N 372.513 2.322 0 40 FEAB COC(=O)CSc1nc2[nH]c(-c3ccccc3Cl)cc(=O)n2n1 10338658 SKKSFPZJMAAIQH-UHFFFAOYSA-N 350.787 2.003 0 40 FEAB Cc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1C 23098975 HWBPATVGJXIRNP-UHFFFAOYSA-N 353.470 2.036 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2oc1=O 908763 GWHIEAVYLLUGRG-LLVKDONJSA-N 352.184 2.464 0 40 FEAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(-n2cnnn2)c1 23362518 WILJBXUFYWPFOT-CQSZACIVSA-N 362.393 2.192 0 40 FEAB CCN(CC)Cc1cccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 42724771 SRODUYHKCIPFIS-INIZCTEOSA-N 370.540 2.387 0 40 FEAB CC(=O)O[C@@H](C(=O)Nc1ccccc1)[C@H](C)S(=O)(=O)c1ccccc1 1277466 GPJGVXURDZKZNZ-SUMWQHHRSA-N 361.419 2.419 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cccnc3N)n(C)n2)CC1 100687684 PMFBGCLBRKPXQQ-GASCZTMLSA-N 370.501 2.163 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1F 55559610 HZFOYTAEAQHTPO-UHFFFAOYSA-N 359.401 2.266 0 40 FEAB Cc1noc([C@H](NCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)n1 108166422 ORBOXIBUZKMODG-UXIGCNINSA-N 351.451 2.069 0 40 FEAB O=c1oc2ccccc2n1CCS(=O)(=O)N[C@@H]1CCc2ccccc21 12686886 IIPVOYLSHFSQKO-OAHLLOKOSA-N 358.419 2.201 0 40 FEAB C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 45403711 VOKLEZZTQTXESZ-ZFWWWQNUSA-N 369.425 2.235 0 40 FEAB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2cccc(O)c2)C1=O 2426674 PLCAFFZYJHXRGM-UKTHLTGXSA-N 359.432 2.277 0 40 FEAB CCCCN1C(=O)C(=O)N(CCC(=O)Nc2ccccc2Cl)C1=O 12763236 UAIFPVHVXJXODN-UHFFFAOYSA-N 351.790 2.260 0 40 FEAB COC(=O)c1c(C)nc(C(C)(C)C)nc1SCCN1CCOCC1 12773416 DMSWQTLPGYBTTA-UHFFFAOYSA-N 353.488 2.293 0 40 FEAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cncn2)cc1 18158548 HKVUMGJNEMWQGQ-ZDUSSCGKSA-N 370.434 2.162 0 40 FEAB Nc1cc(N)nc(SCC(=O)Nc2cccc(Br)c2)n1 3605730 SIRQKVBFRMNNLV-UHFFFAOYSA-N 354.233 2.134 0 40 FEAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(CC)CC)cc1 69920878 VSJWWONGYOGGSE-HNNXBMFYSA-N 369.531 2.177 0 40 FEAB CCN1C[C@@H](CN(C)Cc2cc(=O)n3ccsc3n2)Oc2ccccc21 21672425 USPKHYDSXBOOHW-OAHLLOKOSA-N 370.478 2.475 0 40 FEAB O=C(Oc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1)c1ccc2c(c1)OCO2 4554643 QYINCPWVXWEDGG-XJKSGUPXSA-N 373.386 2.423 0 40 FEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc2c(c1)OCO2 15029547 LLWLYBXHSRUVPG-NSHDSACASA-N 368.393 2.044 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1Cl 408596319 SAWDMHXHVJAMHJ-JTQLQIEISA-N 362.879 2.320 0 40 FEAB COc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1NC(C)=O 7307911 RSDTZQVRKBZQJI-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCOCC1 9614060 AZGUPFBQQWPZJV-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12 95349482 LKFFCHPYOQTNIA-QGZVFWFLSA-N 365.389 2.042 0 40 FEAB CC(C)c1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cnn1-c1cccc(Cl)c1 84622410 UORRPJQGDZXEBD-CQSZACIVSA-N 374.828 2.184 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 73693553 WTNLWDZILDKINW-VWLOTQADSA-N 358.463 2.233 0 40 FEAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1 67896451 YTENTBYNHANJHK-UYAOXDASSA-N 360.454 2.486 0 40 FEAB biogenic,in-vitro O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC(c2cccc(F)c2)=NO1 36833000 UEDREZMZWCGABO-KDOFPFPSSA-N 356.353 2.275 0 40 FEAB CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 32350452 MOCQAQLWVNIAAQ-CRAIPNDOSA-N 362.433 2.441 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCC(C)C 409393473 WYRKAKSIUBVPFH-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2csc(O)n2)CC1 527453728 NJVORUOZOSENPK-UHFFFAOYSA-N 351.815 2.100 0 40 FEAB O=C(CCSc1ccc2nncn2n1)Nc1ccc2c(c1)OCCO2 72404981 PZUVDGCATBVAOH-UHFFFAOYSA-N 357.395 2.016 0 40 FEAB CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C 79393304 CGCULLCINDBKGO-ROUUACIJSA-N 361.486 2.477 0 40 FEAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1COc2ccccc2O1 70762262 GHDJJUVLJRFWKU-DOTOQJQBSA-N 367.323 2.393 0 40 FEAB CCOc1ccc(CN2C(=O)[C@@H](CCSC)NC2=S)cc1OC 30920793 HTQXFHLLPUNFAI-GFCCVEGCSA-N 354.497 2.432 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)c1 70641411 XPGRGDGEGPGFDX-GOSISDBHSA-N 352.390 2.255 0 40 FEAB CN(C[C@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2)C1)S(C)(=O)=O 567522321 MGGPPQGZZAYWAS-DOMZBBRYSA-N 374.890 2.069 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1Cl 224217456 AQIIOCXAJRLJQH-UHFFFAOYSA-N 350.781 2.036 0 40 FEAB CSc1ccc(S(=O)(=O)NCCCN(C)C)cc1NC(=O)C(C)C 225734392 VLPJJJVBHSYBEN-UHFFFAOYSA-N 373.544 2.233 0 40 FEAB CC(=O)c1cccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 225977662 FJZWJDJLEBZIMX-UHFFFAOYSA-N 360.435 2.466 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259576 WZCOALDMZSCDIS-UHFFFAOYSA-N 350.422 2.292 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216470 XYGRHSGZEDFHEY-WIYYLYMNSA-N 358.482 2.416 0 40 FEAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 96228769 HQFIBFVYWDQXRZ-NRFANRHFSA-N 371.481 2.369 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)o1 96048941 ALXKFNOJQWIBOG-UHFFFAOYSA-N 355.438 2.490 0 40 FEAB Cn1cc(CN2CCC3(CC2)CO[C@H](COCc2cccnc2)C3)cn1 96207588 HXOIYMIYMPYSFN-IBGZPJMESA-N 356.470 2.403 0 40 FEAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474519 GFKSQLXEOQSCPW-CQSZACIVSA-N 364.405 2.241 0 40 FEAB Cc1csc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)c1 584035063 PDOJJSMMALOJPJ-CXAGYDPISA-N 358.467 2.415 0 40 FEAB N[C@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1 98092079 BBMPHERXUYPXDO-IRLDBZIGSA-N 362.477 2.355 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 248152598 USPONWNEMVCAJA-MRXNPFEDSA-N 374.481 2.421 0 40 FEAB CN1CCN(C(=O)c2ccncn2)C[C@H](Cc2cccc3cccnc23)C1 257281868 ORHGOTRFCMURRS-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cncc(-c2cnn(C)c2)c1 257274141 NJSSAVQLXZAMFL-QGZVFWFLSA-N 364.405 2.394 0 40 FEAB Fc1ccccc1OCCc1cc([C@@H]2CN(Cc3ncc[nH]3)CCO2)n[nH]1 257343708 ZUCOBRXMHXLCHM-SFHVURJKSA-N 371.416 2.467 0 40 FEAB C[C@@]1(c2ncc(CN3CCN(c4ncccn4)CC3)cn2)CCCCO1 257266690 MEBNVEDAIUALIC-IBGZPJMESA-N 354.458 2.005 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1F 85560352 FYMKHFBDXRJEPS-GOSISDBHSA-N 365.426 2.033 0 40 FEAB O=C(c1cc(CO)on1)N1CCN(c2ccc(Cl)cc2Cl)CC1 633618860 VVRCZQNALVNQRM-UHFFFAOYSA-N 356.209 2.436 0 40 FEAB Cc1cc(-n2nc(C3CC3)nc2-c2cc(-n3cnnn3)ccc2O)ccn1 65393521 WNFZDUJWUBEXKU-UHFFFAOYSA-N 360.381 2.196 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1F 390829002 VTNZHEHWIIZJPS-ZDUSSCGKSA-N 373.384 2.129 0 40 FEAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2cccc(Cl)c2)c2cccc(O)c2)C1 575420130 GDPYBRDYOYOHAB-DLBZAZTESA-N 367.854 2.210 0 40 FEAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)c2csnn2)CC3)c1 585110325 GFZRTKAGXODNQR-UHFFFAOYSA-N 369.450 2.316 0 40 FEAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc(Oc2ccccc2)c1 585295425 ZAQBWTSOWJAXHE-MHTWAQMVSA-N 357.450 2.402 0 40 FEAB Cc1cc(C)nc(N2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)n1 585104728 SIJKIAFVTYEVHR-FQEVSTJZSA-N 370.428 2.492 0 40 FEAB O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1 685940278 CDLISTMCJSRNSL-OJRVVYCYSA-N 358.373 2.041 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CC/C=C/c2ccccc2)C1 685943378 VUFWIBMIGDPPFX-SHFAGPMESA-N 354.454 2.279 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3cccnc3)C2)nc1 56358960 LTTXBPFDGIIPCN-INIZCTEOSA-N 353.426 2.345 0 40 FEAB O=C(CCN1C(=O)CCC1=O)NCc1cccc(COc2ccccc2)c1 55991174 GQXSBNZBNUMDIR-UHFFFAOYSA-N 366.417 2.421 0 40 FEAB CCC1(N2CCC2)CCN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)CC1 1155713490 FWWIMMQSLBLPFH-UHFFFAOYSA-N 353.470 2.486 0 40 FEAB Cn1cnc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615126968 BOTVNMKCGXIECH-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594957 KXBSPTNGLJCONA-ZTFGCOKTSA-N 366.889 2.131 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 16363223 QKRRVRGKBVOZDZ-BXKDBHETSA-N 355.485 2.230 0 40 FEAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 19080619 ZPKRRXUDMWISCT-NSHDSACASA-N 370.361 2.177 0 40 FEAB CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1 19522911 UXAJHRCKYSVPNL-UHFFFAOYSA-N 362.499 2.381 0 40 FEAB Cc1cnc2c(C(=O)N3CCC[C@]3(C)C(=O)NC3CCCC3)cnn2c1 19746545 JRTJQIPGRIXGJT-LJQANCHMSA-N 355.442 2.091 0 40 FEAB CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19930653 PSZDFCZSUKDJJM-UHFFFAOYSA-N 350.484 2.318 0 40 FEAB CCc1oc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1C 574709477 NANPZICMKNVGJI-FZKQIMNGSA-N 356.426 2.118 0 40 FEAB COCCN1CCC(CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 23127563 SREREKYTESDERY-UHFFFAOYSA-N 354.516 2.249 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 9595735 MJPFSYDLVUPAAC-NRFANRHFSA-N 369.465 2.419 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccccc1S(C)(=O)=O 24051400 OIIUVYGXAGCSNA-CYBMUJFWSA-N 353.465 2.438 0 40 FEAB O=C(NC[C@H]1CCCO1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009122 VRRREEZOXIMUKT-GFCCVEGCSA-N 374.363 2.227 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cncnc3)CC2)CN1c1cccc(F)c1 2037841063 VLCVCXIBBFEWPP-FQEVSTJZSA-N 370.428 2.404 0 40 FEAB Cc1noc([C@H]2CCC3(CCN(C(=O)Cc4ccc(F)cn4)CC3)O2)n1 1614940316 MTJOUGFVXBFCGX-OAHLLOKOSA-N 360.389 2.368 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 1565546539 GMKXPPRMLDFMND-PBHICJAKSA-N 351.454 2.136 0 40 FEAB CSc1ccc(CCC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1 1565522859 UGCYHYMOHULHND-UHFFFAOYSA-N 374.441 2.146 0 40 FEAB O=C(OCn1nnc2ccccc2c1=O)c1cccc(Br)c1 3251841 NPWCTICAOKPIRN-UHFFFAOYSA-N 360.167 2.369 0 40 FEAB CCOc1cccc2sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 17315810 UPACLUIDBYXVBZ-SNVBAGLBSA-N 369.468 2.058 0 40 FEAB O=C(Nc1nc(CCC(=O)N2CCCCC2)cs1)c1ccc[nH]c1=O 21689734 HKTKNKYEFDHPHD-UHFFFAOYSA-N 360.439 2.029 0 40 FEAB O=C(NC[C@@]1(OCCO)CCOC1)C1(c2ccc(Cl)cc2)CCCC1 617716648 SVCVOGOSYQUIOI-SFHVURJKSA-N 367.873 2.436 0 40 FEAB COC(=O)[C@H](C)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165197 XUERLGWMYCUJJB-JTQLQIEISA-N 374.422 2.462 0 40 FEAB O=C(C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1)N1CCOCC1 40047668 NEQQYSLGNNGRQM-UHFFFAOYSA-N 356.466 2.206 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)C[C@@H](C)O1 32895733 AILWFZLNPTXSJB-IYBDPMFKSA-N 367.515 2.073 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCS(=O)(=O)c1ccccc1 32936049 SDIMTQOQKYJMJM-CYBMUJFWSA-N 351.399 2.183 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6934239 KSPIJCWMSBFJCG-VHSXEESVSA-N 363.277 2.031 0 40 FEAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 7940103 VDNCKWCWKSAJPW-WBVHZDCISA-N 366.417 2.460 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 8410847 VZYFVHQAWYQGMG-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB COCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 8476335 IMWYMWBKARJCAS-UHFFFAOYSA-N 352.394 2.319 0 40 FEAB NC(=O)[C@@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 103955171 LIXHFDYPOGZECD-ZDUSSCGKSA-N 367.434 2.086 0 40 FEAB COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccnc1 808848 HMTOPTZVUHPGDQ-ZDUSSCGKSA-N 350.330 2.056 0 40 FEAB O=C(CN1CCOCC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 23695966 CGXSFJKRIIVWJC-UHFFFAOYSA-N 357.385 2.349 0 40 FEAB COc1ccc(Cn2c(S[C@@H](C)C(N)=O)nc3ccccc3c2=O)cc1 24503432 CXFKZKROZFXHQS-LBPRGKRZSA-N 369.446 2.419 0 40 FEAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1Cl 56059001 XOXVOPQUOWWGEX-UHFFFAOYSA-N 370.837 2.216 0 40 FEAB CCCCOC(=O)[C@H](C)OC(=O)/C=C\C(=O)O[C@@H](C)C(=O)OCCCC 104257418 RFNDXDCWEVTDGH-YHFBFXLGSA-N 372.414 2.093 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2095351 KMKKEMAIPHSTFA-SFHVURJKSA-N 361.394 2.350 0 40 FEAB biogenic O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COc1ccc2c(c1)OCO2 58177836 XKTHYVZYHRSLBL-GFCCVEGCSA-N 374.780 2.219 0 40 FEAB O=C(Nc1cn[nH]c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 58184613 NGFPQKCHEQNVQY-CYBMUJFWSA-N 363.215 2.416 0 40 FEAB O=S(=O)(CCCn1nnc(-c2cccs2)n1)c1ccc(F)cc1 58171569 ZKKYIRBIYINRSK-UHFFFAOYSA-N 352.416 2.405 0 40 FEAB Cc1ccc2nc(CNc3ccccc3CS(C)(=O)=O)cc(=O)n2c1 58194067 XYWAVYBNSNYBFE-UHFFFAOYSA-N 357.435 2.160 0 40 FEAB Cc1nn(CCC(=O)NCCCn2ccnc2)c(C)c1Br 27969280 KTGZEIMQYITRMO-UHFFFAOYSA-N 354.252 2.056 0 40 FEAB CC(C)[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N1C[C@H](C)O[C@H](C)C1 58344147 BRJKSODYLXEQFL-DAYGRLMNSA-N 372.469 2.487 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1 36392095 QJOHCPVYUMPHGA-GOSISDBHSA-N 369.421 2.202 0 40 FEAB O=C1NC(=S)N=C(O)C1(CCc1ccncc1)CCc1ccncc1 2427783 XAYJDQOWWZZRBZ-UHFFFAOYSA-N 354.435 2.400 0 40 FEAB CCONC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 8777144 RTJTYOAWYWPDDO-UHFFFAOYSA-N 368.499 2.389 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 3459540 LRFTWEHLSJVOAI-SFHVURJKSA-N 359.332 2.371 0 40 FEAB CC(C)c1n[nH]c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)n1 8776363 XBXHHCCSTIKJRX-UHFFFAOYSA-N 363.399 2.097 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCNC3=O)nnc12 12990962 OZJFFRXKCRKREX-CQSZACIVSA-N 371.466 2.215 0 40 FEAB Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)N3CCCC3)C1=O)OCO2 408553047 WFSMOSULNVFSNX-OVCLIPMQSA-N 374.418 2.382 0 40 FEAB O=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2=O)cc1 12910237 VEFCXRSYXAGBSQ-UHFFFAOYSA-N 371.462 2.311 0 40 FEAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 12992800 SJNQCRPMOORLJZ-HXUWFJFHSA-N 365.389 2.243 0 40 FEAB biogenic Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H](CO)Cc1ccc(F)cc1 49351747 UPSLSENWHMFPMW-RHSMWYFYSA-N 360.433 2.087 0 40 FEAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@H]3CCCO3)CC(=O)N21 4029249 BLFCOEKPOUONKU-DYVFJYSZSA-N 367.449 2.178 0 40 FEAB biogenic COc1ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc(=O)oc2c1 4073501 VYJVBQKKHUNGKX-BTYIYWSLSA-N 371.433 2.498 0 40 FEAB biogenic CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)NC(N)=O)[nH]c(=O)c12 5165810 BKVZQHOFYRIKBX-ZETCQYMHSA-N 368.484 2.169 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnn(-c2ccccc2)n1 9481480 UIFQHOBJFNSPFH-KRWDZBQOSA-N 351.410 2.427 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 14136897 OIQRIXMVTIXSTP-UHFFFAOYSA-N 364.405 2.083 0 40 FEAB O=C(Cc1ccccc1C(=O)O)Nc1cccc(N2CCCS2(=O)=O)c1 71284903 XCVAEWYFAWPCGO-UHFFFAOYSA-N 374.418 2.106 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)cc1 27979510 OEKCWLLETGPAGD-UHFFFAOYSA-N 363.439 2.165 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2c(C)cccc2C)c2ccccc2O1 7252801 VOOMQKPMSLAJIV-KRWDZBQOSA-N 353.422 2.256 0 40 FEAB O=Cc1cn(CC(=O)N2CCOCC2)c2ccc(Br)cc12 17072830 MUACIJLLDOPOJV-UHFFFAOYSA-N 351.200 2.075 0 40 FEAB CCOc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCC1 408699461 WZFIQLSHBIORBP-UHFFFAOYSA-N 366.483 2.496 0 40 FEAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1F 8504273 XVQBDNOCOWRDAB-QMMMGPOBSA-N 354.382 2.154 0 40 FEAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c(C)c1 72054833 AECKWTXXLJDHFU-CQSZACIVSA-N 356.513 2.234 0 40 FEAB O=C(COC(=O)CCc1nc(C2CC2)no1)N[C@@H]1CCOc2ccccc21 84578968 HFQMBFGUWSSBMN-CQSZACIVSA-N 371.393 2.063 0 40 FEAB O=C(NCCc1cccc(F)c1F)N1CCC(CN2CCOCC2)CC1 95958691 LVNLXVPHPAPJOX-UHFFFAOYSA-N 367.440 2.261 0 40 FEAB CCN1CCC[C@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 95961965 BGJPXUSHUPAAMJ-CQSZACIVSA-N 352.442 2.253 0 40 FEAB CCOc1ccc(NCc2nccn2CC)cc1S(=O)(=O)N(C)C 75107688 IWHIKUWPVASLDR-UHFFFAOYSA-N 352.460 2.164 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306140152 ULXIZVNBHAJOMI-KRWDZBQOSA-N 354.406 2.235 0 40 FEAB O=C(NCC[C@@H]1CCOC12CN(Cc1ccco1)C2)C1CC(F)(F)C1 306136823 QEKMXNRTFFUIMQ-CQSZACIVSA-N 354.397 2.422 0 40 FEAB COC(=O)c1cc2c(=O)n(CCc3ccc4c(c3)OCO4)ccc2nc1C 38784176 FQXFCZPKKPLSBJ-UHFFFAOYSA-N 366.373 2.463 0 40 FEAB CCOC[C@H]1CN(C(=O)NCc2ccccc2-n2ccc(C)n2)CCO1 527821786 NNXUGLDQXJZKQU-QGZVFWFLSA-N 358.442 2.128 0 40 FEAB CCC[C@@]1(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CCOC1 557615112 LVGWMLUJMMNQCK-OAHLLOKOSA-N 369.347 2.370 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218457574 PGDFWAUAFWHIDW-LNLFQRSKSA-N 360.431 2.252 0 40 FEAB CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCCN3C3CCC3)n2)ccn1 35425594 XXOLSOGUWDUGQD-ZDUSSCGKSA-N 363.443 2.193 0 40 FEAB biogenic,in-vitro COc1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219428991 CLXGUNHSYDXZSR-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1c(C)cc(C)cc1C 71980247 PDXGUQUIFLBIHJ-MRXNPFEDSA-N 360.454 2.349 0 40 FEAB Cc1cccc(CS(=O)(=O)NCc2cccc(CN3CCOCC3)c2)c1 224730063 LPRTXDZKQVAPMW-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB COc1ccc([C@H](CC(=O)N(C)c2ccccc2)NS(C)(=O)=O)cc1 225953797 PPZMGWMXUCOOMF-KRWDZBQOSA-N 362.451 2.339 0 40 FEAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223189195 UHNAXUZURAPOIY-FQEVSTJZSA-N 372.440 2.284 0 40 FEAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCCO)c2ccccc2)cc1 223540736 RXPBPDKWQQXOET-HXUWFJFHSA-N 370.449 2.284 0 40 FEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958143 GLNADZFGLPJUDB-GFCCVEGCSA-N 352.818 2.093 0 40 FEAB COC(=O)CC1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)CC1 96118410 JHEIFRPKQWVBBW-UHFFFAOYSA-N 369.421 2.427 0 40 FEAB Cc1ccsc1C(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1 96255917 TWXDNSQYLDKQPQ-UHFFFAOYSA-N 368.466 2.391 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@H](CC(=O)N3CCCCO3)C2)cs1 247974712 UMEKHHDQCNMZSS-MRXNPFEDSA-N 361.471 2.149 0 40 FEAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NC[C@H]1CCCO1 245265333 GBBXEGRKTXEASY-FEOAFNLJSA-N 355.862 2.403 0 40 FEAB Cn1ccc(CCC(=O)N2CCOC[C@@H]2c2nc(-c3ccccc3)no2)n1 585085810 RZJRUIVYOOOCQX-MRXNPFEDSA-N 367.409 2.003 0 40 FEAB CN(C)[C@H]1[C@H](NC(=O)c2ccccc2F)C[C@@H](Oc2ccccc2)[C@@H]1O 257221973 DRIPNVJQFMENMD-YRXWBPOGSA-N 358.413 2.067 0 40 FEAB COc1ccc(C(=O)O)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 520619738 TWZDIILMPIIDGQ-UHFFFAOYSA-N 373.390 2.380 0 40 FEAB CCN1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cc(F)cc2c43)CC1 253495764 QLFOTLJKXAOEJE-UHFFFAOYSA-N 357.429 2.168 0 40 FEAB CCc1noc([C@]2(O)CCN(C(=O)NCC3CC(c4ccccc4)C3)C2)n1 606443992 BFBDOSHQWHOIKP-SGHGTVFPSA-N 370.453 2.429 0 40 FEAB CO[C@@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1c1cnn[nH]1 668576329 CGETUQHJFDLVCO-DOTOQJQBSA-N 358.833 2.258 0 40 FEAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2 567798773 VJLQKTHBBDBPHW-LSDHHAIUSA-N 369.439 2.019 0 40 FEAB COc1ccccc1CC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390827957 MLOJFAKCIXZKTM-UHFFFAOYSA-N 361.423 2.007 0 40 FEAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575423279 OWIKXFLDLBECHV-KRWDZBQOSA-N 367.492 2.428 0 40 FEAB CN1CCN(C(=O)c2cccnn2)C[C@H](Cc2cccc3cccnc23)C1 585182510 UIJOUNHONNYTAG-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB O=C(CC1(O)CCCCC1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585276052 IWGFVRKSEWPLMY-IBGZPJMESA-N 351.418 2.253 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2coc(C)n2)[C@@H]1Cc1cccc(F)c1 585280305 DYEQXGLQCFAXGX-WMZOPIPTSA-N 359.401 2.474 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@@H]1C 585098469 TYGXBFBESLLKLB-AWEZNQCLSA-N 358.442 2.284 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 585098470 TYGXBFBESLLKLB-CQSZACIVSA-N 358.442 2.284 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 685942382 JZPPPIJXVYVBMX-RCCFBDPRSA-N 354.454 2.367 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)on2)CC1=O 5786246 MWCRKTBYVVYWPY-CQSZACIVSA-N 371.393 2.080 0 40 FEAB CC(C)N(C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21)C(C)C 12220162 UYQAXGAAOLDNML-UHFFFAOYSA-N 356.426 2.485 0 40 FEAB Cc1cc(S(=O)(=O)NCC(C)C)c(C)n1S(=O)(=O)c1ccccc1 13585849 QMHNBZHJRPLLBQ-UHFFFAOYSA-N 370.496 2.276 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16022001 YHJBFALZYUQLJS-WRPNDASFSA-N 369.465 2.170 0 40 FEAB CCc1cc(CNC(=O)Cn2c(C)nc3sc(C)c(C)c3c2=O)on1 19522801 FRMMTFIVAXRFSS-UHFFFAOYSA-N 360.439 2.250 0 40 FEAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 19573662 AMFZWMZXLUHNLM-DZGCQCFKSA-N 358.417 2.197 0 40 FEAB Cn1cnc2c(N3CC(Oc4ccnc(C(F)(F)F)c4)C3)ncnc21 1888869422 MAPMDZNEPPMSCQ-UHFFFAOYSA-N 350.304 2.045 0 40 FEAB COc1cccc2sc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc12 1888879584 NYTRGCMMHOMABK-UHFFFAOYSA-N 367.496 2.165 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888881767 LLIYREYNXLMTCM-AWEZNQCLSA-N 359.451 2.444 0 40 FEAB COCc1ccc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1 1565554636 CXUCEEKGMSLRMO-UHFFFAOYSA-N 352.438 2.438 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)CCC1 1565552606 OXBNMBHLZJRUTC-UHFFFAOYSA-N 371.481 2.382 0 40 FEAB Cc1cccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 8848980 DECRYWFXYZHJNX-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)O1 2055729967 KFBHTJXMXNGYRE-QGZVFWFLSA-N 359.470 2.014 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(C)ncc12 33300883 WLMLVGOCXLNXHH-UHFFFAOYSA-N 369.406 2.246 0 40 FEAB COc1cccc2cc(C(=O)N3CC(Oc4nccs4)C3)c(=O)oc12 206921924 MVADDAHOEMNLQD-UHFFFAOYSA-N 358.375 2.162 0 40 FEAB C[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)n1nc2c(cc1=O)CCC2 575620252 OYFZPEXOJWNOKA-NSHDSACASA-N 367.434 2.450 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccc(-c4ccco4)o3)cc21 618255734 XEMVWWOXZNDIAG-UHFFFAOYSA-N 374.374 2.463 0 40 FEAB CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](c2ccccc2)C1 30029573 PBRWXRASIABRCL-SFHVURJKSA-N 358.463 2.219 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 40024184 FVNLEBXRTLVKBM-ZDUSSCGKSA-N 361.442 2.373 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 20344010 MBRNPVNQSWFAID-UHFFFAOYSA-N 353.831 2.425 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20745072 KSJQFMVMSCEXRF-OAHLLOKOSA-N 363.377 2.476 0 40 FEAB Cc1cc(C(=O)OCc2nc3ccccc3o2)cc(S(N)(=O)=O)c1C 21485737 PDLYCPGSKPRYRL-UHFFFAOYSA-N 360.391 2.449 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)NC1CC1 7272161 FDGZMPPEHLPMPZ-WFASDCNBSA-N 366.483 2.444 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 54002805 VVAAVWAJJSHZIP-DZGCQCFKSA-N 372.494 2.298 0 40 FEAB O=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NCCc1cccs1 9512989 CEVSEMOHGGGSKM-UHFFFAOYSA-N 371.418 2.455 0 40 FEAB Cc1cc(NC(=O)c2cc3ccccc3n2C)n([C@H]2CCS(=O)(=O)C2)n1 55096096 GMLDWULJZUZLIH-AWEZNQCLSA-N 372.450 2.295 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCO[C@H]2CCCC[C@@H]21 55423103 IFCWOQDPLDSKOM-ROUUACIJSA-N 353.422 2.080 0 40 FEAB COc1ccc(CSc2nnc(Nc3ccccc3)c(=O)n2N)cc1 28535157 JVWXDMNCGRRXPV-UHFFFAOYSA-N 355.423 2.397 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2c(F)cccc2F)cc2c1OCCO2 57115817 PCSDXQXKXPQLMA-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB COc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1F 57909341 CYJSSJQIPRMSTQ-NSHDSACASA-N 374.368 2.170 0 40 FEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCn1cnc2ccccc21 58181564 SACIFBLKXKTECC-UHFFFAOYSA-N 364.327 2.033 0 40 FEAB Cc1cc(C)c(CNC(=O)c2ccc(OCc3noc(C)n3)cc2)c(=O)[nH]1 10228454 VESKTIWGMTVOPX-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c1 57521220 KDLQWKGUUUHMNP-UHFFFAOYSA-N 358.423 2.309 0 40 FEAB Cc1nc2oc3c(N4CCNCC4)ncnc3c2c2c1COC(C)(C)C2 2357863 FZVLIXUWNHNAHR-UHFFFAOYSA-N 353.426 2.340 0 40 FEAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 306125028 CFARSWXRIPCXLJ-FXAWDEMLSA-N 369.444 2.281 0 40 FEAB COc1ccc(OC)c2c1CN(Cc1nc(-c3ccco3)no1)C[C@@H]2O 45957553 NZFDLVLUKLMSRR-LBPRGKRZSA-N 357.366 2.396 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 46195986 ZETVGPLOUDSYRU-UHFFFAOYSA-N 350.422 2.251 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1OC 48325257 CGIAMCYHBJBCJE-HNNXBMFYSA-N 372.421 2.304 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1c(C)nn(C)c1C)C2=O 12850146 DTBNPRCQNOSZOR-UHFFFAOYSA-N 354.410 2.360 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 12854434 WCTJJBZAADTCKR-UHFFFAOYSA-N 354.431 2.346 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F 12905279 AULIUQIGRSUCCM-JTQLQIEISA-N 374.395 2.412 0 40 FEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3ccno3)cs2)C1 49548693 VEJBUGDCJUOSQU-LLVKDONJSA-N 370.452 2.367 0 40 FEAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)NC3CCCC3)c(C)c2c(=O)[nH]1 5311485 CQOOWVYTLOOACT-SECBINFHSA-N 363.439 2.206 0 40 FEAB Cc1ccccc1OCCN(C)CC(=O)N1CC(=O)Nc2ccccc21 14197383 CDOYBXAKZXWFAE-UHFFFAOYSA-N 353.422 2.291 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2cncc(Br)c2)cc1 14183054 RWNUYRUHWHBFKU-UHFFFAOYSA-N 362.227 2.476 0 40 FEAB CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571317 CYHCBCHMBXTBFS-LLVKDONJSA-N 367.858 2.067 0 40 FEAB Cc1nc(CNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)nc2c1CCCC2 19334107 OPNHWDFSKFJEJB-VQTJNVASSA-N 357.454 2.402 0 40 FEAB Cc1occc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1C 4948128 IPBJFMVIDJMAGK-QWRGUYRKSA-N 350.444 2.111 0 40 FEAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC(=O)NCc1ccccc1 7062210 LBBDFUJJXPOIOS-GFCCVEGCSA-N 366.377 2.134 0 40 FEAB COc1ccc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1F 8308501 GVGWKFGOYDSFSH-UHFFFAOYSA-N 357.385 2.251 0 40 FEAB Cc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1C 17057383 UCDNZHDQQCKXSP-SFHVURJKSA-N 363.417 2.083 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 22271871 PCASVYSCWVVPLP-CQSZACIVSA-N 362.451 2.193 0 40 FEAB O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 95461206 DGRAJKFNKVUMHZ-HOTGVXAUSA-N 370.405 2.268 0 40 FEAB CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)c2cccc(C)n2)cc1 95945410 QGMSNAHTELVDNQ-UHFFFAOYSA-N 354.453 2.009 0 40 FEAB CNC(=O)CN1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)C)CC1 69923582 LRVLKSPUGAFZLM-IBGZPJMESA-N 360.502 2.202 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(C)cc2)c1 31646298 NPOZQFYUNKODNW-UHFFFAOYSA-N 362.451 2.070 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2CCCC[C@H]2C)n1 72339979 QZGWPLATJPAEFT-IUODEOHRSA-N 357.458 2.223 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)c1 70641410 XPGRGDGEGPGFDX-SFHVURJKSA-N 352.390 2.255 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCc4ccccc43)cnc21 43077898 HUOHVODTAXFDQX-UHFFFAOYSA-N 364.405 2.088 0 40 FEAB CCn1ncc2c(=O)n(Cc3ccn(-c4ccc(F)cc4F)n3)cnc21 573889222 XYAUSRCMANXQIT-UHFFFAOYSA-N 356.336 2.125 0 40 FEAB COC(=O)C(C)(C)NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40133185 CQRJBDXSIBXKKI-UHFFFAOYSA-N 366.414 2.092 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1 96048788 OJXCPVWLXPCLGI-FQEVSTJZSA-N 353.470 2.138 0 40 FEAB COCCn1ccc2c(C(=O)NCCc3nnc4ccccn34)cccc21 95472925 YCHFLLNQKBXNNB-UHFFFAOYSA-N 363.421 2.303 0 40 FEAB O=C(c1ccsc1)N1CC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96071648 ASVGSIAREQBIGW-SFHVURJKSA-N 356.451 2.307 0 40 FEAB c1cnc(NC[C@@H]2CCC3(CN(Cc4ccc5c(c4)OCO5)C3)OC2)nc1 248329261 DBBCWFJFLGFVBJ-INIZCTEOSA-N 368.437 2.298 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)n1 248129729 YBRLQPNCNQVZDN-SFHVURJKSA-N 374.481 2.454 0 40 FEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CC3(O)CCCCC3)C[C@@H]21 257299147 ROXJIOGPOIHUFW-IXDOHACOSA-N 358.486 2.235 0 40 FEAB CO[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@]12CCCO2 257243085 IFKGOHMQYBOOFV-MAUKXSAKSA-N 370.396 2.496 0 40 FEAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257233714 GQJWBYYKSXXCQN-DOTOQJQBSA-N 354.454 2.204 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1 614553920 UTTHVRODWZQMBK-UHFFFAOYSA-N 361.345 2.485 0 40 FEAB Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C 616190746 IPIUOHLUIGTWFY-MKXGPGLRSA-N 358.482 2.018 0 40 FEAB C[C@H](CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 299615360 VUKCICXLWBAIHW-CVEARBPZSA-N 367.515 2.151 0 40 FEAB Cc1cc(Br)ccc1S(=O)(=O)NCCCn1cccn1 133258287 NWNYJRMKCRUXDN-UHFFFAOYSA-N 358.261 2.323 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccccn3)CC2)Nc2ccccc2CN1 1615528508 AAYDEKODUYARAQ-UHFFFAOYSA-N 350.422 2.188 0 40 FEAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 5252458 JJFZWFOABRUYNG-UHFFFAOYSA-N 365.433 2.283 0 40 FEAB O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cccc(F)c1F 19292671 CRSGKVFBLIBKKF-ZDUSSCGKSA-N 374.391 2.226 0 40 FEAB CCOc1cc2c(cc1CN1CCC(O)(Cn3ccnc3C)CC1)OCO2 19532433 KFIVVWPKCAEFID-UHFFFAOYSA-N 373.453 2.346 0 40 FEAB CNc1cc(CN(C)C(=O)COc2ccc(F)cc2)nc([C@H]2CCCN2)n1 19760754 UFKOQWXCJAEBDY-MRXNPFEDSA-N 373.432 2.119 0 40 FEAB CC(C)(S[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O)[C@@H](N)C(=O)O 19927532 NSWWTVWUNAQUQG-ZBFHGGJFSA-N 372.446 2.395 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C(=O)O 35950375 KFRRDHBQRJQRRO-KBPBESRZSA-N 364.398 2.375 0 40 FEAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4ncccc34)CC2)c1F 1888897981 PUJVGPMUGQLVCU-UHFFFAOYSA-N 365.416 2.466 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)C2CCN(C(=O)C3CC3)CC2)cc1 30211066 NRJLCSFFAMOYDL-UHFFFAOYSA-N 358.438 2.080 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1ccccn1)C2 2037873454 LJRCNLXHPUHGPC-SVFBPWRDSA-N 351.450 2.286 0 40 FEAB C[C@@]1(C(=O)N2C[C@H]3OC[C@@H](CC(=O)N4CCCCO4)[C@H]3C2)CC=CCC1 1565548286 AUSUXGNWCMUCKM-WOCWXWTJSA-N 362.470 2.150 0 40 FEAB CC(C)N(C)CC(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1 1565544160 RXKORHDHDQVWJY-UHFFFAOYSA-N 369.469 2.208 0 40 FEAB NC(=O)CSc1nnc(NC(=O)c2cccc(Br)c2)s1 4328467 HDJCFMMQXBZERL-UHFFFAOYSA-N 373.257 2.130 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708291 XBUYNSDGIKXSQC-MRXNPFEDSA-N 357.479 2.493 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3ccc(Cl)cc3)cnc21 10250907 DQASXKQVENFLIJ-UHFFFAOYSA-N 359.817 2.314 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]1 31257617 PGJDLZDAEVLHFK-INIZCTEOSA-N 369.421 2.064 0 40 FEAB CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 101473897 PDYJLRWURLDPLT-QGZVFWFLSA-N 354.381 2.154 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 21348322 KBMAKKMTPFZUEU-BFYDXBDKSA-N 360.454 2.351 0 40 FEAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccccc3)C2=O)cc1OC 102272540 AVHSHFXMSMKATJ-MRXNPFEDSA-N 354.406 2.486 0 40 FEAB Cc1ccc2c(C)c(CCC(=O)NCCC(=O)N3CCCC3)c(=O)oc2c1 32836765 FIHCPTAWXZPPDE-UHFFFAOYSA-N 370.449 2.471 0 40 FEAB CC1=C(NS(=O)(=O)c2cccc(C(=O)O)c2)CN(c2ccccc2)N1C 1467688 FHMDRLZBSCSKNU-UHFFFAOYSA-N 373.434 2.262 0 40 FEAB COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCCCC3)CC2)cc1 4909705 UPILJERJAIOGHK-UHFFFAOYSA-N 373.497 2.292 0 40 FEAB CCCCN(C(=O)NC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 103242610 PJSNJNZAGNXJHS-RFGFWPKPSA-N 359.492 2.292 0 40 FEAB Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1 782961 ADALHMPDLQYQAA-UHFFFAOYSA-N 368.433 2.124 0 40 FEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)n1 995060 PRJJCUPDTLWLFU-UHFFFAOYSA-N 369.406 2.233 0 40 FEAB COc1ccc(Cl)cc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 54994497 ZBOLKUFPYZTSLS-CQSZACIVSA-N 352.862 2.419 0 40 FEAB COc1cccc(-c2nc(C(=O)N[C@H](C)c3nncn3C)cs2)c1OC 47314296 FLZRZDFTFHFMLC-SNVBAGLBSA-N 373.438 2.447 0 40 FEAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 20110524 IVWTWLKHXIXWBD-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)COCc1ccccc1F 24833646 IHWFPIAIZUGPFW-HNNXBMFYSA-N 362.332 2.359 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccncc2)nc2ccccc12 17636283 QQXCXKACZJSABJ-AWEZNQCLSA-N 367.430 2.214 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2)nc1 24901177 YZTZDLMRHZLRSR-MRXNPFEDSA-N 353.382 2.253 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 56756406 JRNVLCDPDRWYRX-KRWDZBQOSA-N 366.465 2.223 0 40 FEAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C=C(C)C)c(=O)[nH]c1=O 22833152 RDTSZRPSOAAMRW-UHFFFAOYSA-N 370.453 2.418 0 40 FEAB CCOCCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179988 XOIFHGZGMWBMCE-QJLMEOIESA-N 372.465 2.484 0 40 FEAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(N2CCOCC2)cc1 12538070 WKATVVDLSVGBLY-UHFFFAOYSA-N 374.485 2.484 0 40 FEAB CN1CCN(C(=O)CN(C)C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 44681010 PZVZXLKDRPFYAD-LJQANCHMSA-N 351.450 2.274 0 40 FEAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(-n3cncn3)cc2)on1 20036436 ZOOVCKBQOPMGKE-UHFFFAOYSA-N 369.381 2.348 0 40 FEAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 10030398 WCOVNORKPLRWQU-HNNXBMFYSA-N 368.231 2.417 0 40 FEAB CNc1snc(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1 27502402 KDJRFGDLUIWYIB-UHFFFAOYSA-N 352.504 2.258 0 40 FEAB Cc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)N(C)C)cc1 58193683 FRJKXSKPWMLRDG-OALUTQOASA-N 367.497 2.421 0 40 FEAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 2117934 NVALCGNAJQNXPI-NHAYFPRASA-N 357.406 2.325 0 40 FEAB biogenic Cc1noc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n1 23264358 CYUORHPZNWWWRM-AWEZNQCLSA-N 355.350 2.056 0 40 FEAB CCC(=O)N1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58370258 ACSAUPAZJAUJIZ-SFHVURJKSA-N 371.481 2.199 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108889458 HVXWXKTXPUSNJR-BNBDDXAPSA-N 374.824 2.403 0 40 FEAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 22610614 YQVXVUTWKQERMW-UHFFFAOYSA-N 363.417 2.299 0 40 FEAB Cc1csc(=O)n1CCC(=O)NCc1cccc(NC(=O)C2CC2)c1 10775172 RSDGPRLMZWSNCQ-UHFFFAOYSA-N 359.451 2.273 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 28325406 ANYGJEUJHVJXCE-SLZMIMFISA-N 354.859 2.384 0 40 FEAB COc1ccc(-n2ccn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 21883604 IORPRWNCUGLDAZ-UHFFFAOYSA-N 367.361 2.015 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@]1(C)CC1(Cl)Cl 48261890 AYBNXDYCIKUJNZ-CYBMUJFWSA-N 365.282 2.137 0 40 FEAB CN(CCCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(F)(F)F 46010879 ACKUMGXEFQYRTG-UHFFFAOYSA-N 366.771 2.445 0 40 FEAB Cc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1-c1ccccc1 3409941 DEETXBQMGBZKMD-UHFFFAOYSA-N 367.434 2.405 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)CCc1ccco1 13089630 ABKIAKTXNXVOLQ-LLVKDONJSA-N 353.396 2.286 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1OC(F)F 13148964 KJWBJJZGBHKZFU-GHMZBOCLSA-N 352.337 2.402 0 40 FEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Br 13135475 SZHIKHTUVAFAHD-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB O=C([C@H]1CN(CCOCc2ccccc2)Cc2cncn21)N1CCCCO1 306140761 VDIGYBRQLBYZEJ-LJQANCHMSA-N 370.453 2.011 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 8891885 KBYJKBJMAQJNCZ-LJQANCHMSA-N 361.417 2.241 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc(C)on1 4393892 HYJLKKQNPHOFKI-UHFFFAOYSA-N 365.411 2.028 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(Cn2nnc(-c3ccccc3)n2)n1 4404820 JGFGKIFBWRTFPF-UHFFFAOYSA-N 359.397 2.208 0 40 FEAB Cc1cc(C)cc(-n2nnnc2S[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 14184184 MYKNGAQOOMHTRS-ZFWWWQNUSA-N 361.471 2.055 0 40 FEAB COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)NC1CC1 14244484 SXMFDZRZUTZRJU-UHFFFAOYSA-N 374.462 2.108 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)NC(=O)N[C@]1(O)C(F)(F)F 5577300 UUZFZMQKEXJTOV-OPQQBVKSSA-N 366.723 2.124 0 40 FEAB O=C(CSc1nnc2n1CCCCC2)NC[C@H]1COc2ccccc2O1 7215249 LBZREQPIYZTQFB-ZDUSSCGKSA-N 374.466 2.053 0 40 FEAB CC(C)CC(=O)N[C@H](C(=O)NC[C@H](O)c1ccc(F)cc1F)C(C)C 68078496 QZBMWIYOENEVKH-RDJZCZTQSA-N 356.413 2.301 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1 408626703 VXWQOOUDSFWAHQ-CQSZACIVSA-N 354.472 2.011 0 40 FEAB CCN(c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1)C(C)C 9704095 MHTFMXNUBPHPDI-UHFFFAOYSA-N 361.471 2.318 0 40 FEAB O=C(NCc1ccc(COCCO)c(F)c1)C1=NO[C@H](c2ccccc2)C1 84525326 SRZHLXTYWLQRDY-IBGZPJMESA-N 372.396 2.468 0 40 FEAB COCCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 409125900 AERCMFUNMAAOAD-OQLLNIDSSA-N 374.418 2.497 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1c(C)nn(-c3ccccn3)c1C)CC(=O)O2 95474740 SUTLTVXGIRBFAM-CYBMUJFWSA-N 350.378 2.322 0 40 FEAB Cc1noc(C)c1Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201112 KMDFJCCNELTQQT-UHFFFAOYSA-N 359.773 2.340 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1Nc1ncnc2[nH]cnc12 1043364373 CPBPZDNDATTYNL-NOZJJQNGSA-N 358.352 2.204 0 40 FEAB COc1cc2c(=O)ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2cc1F 185062167 GSTXPISFVLUZIS-YWPYICTPSA-N 361.417 2.485 0 40 FEAB CCNc1cc(CNC(=O)NCCc2cn(C)c3ncccc23)ccn1 1527802787 FNFUSSFQUGLVTG-UHFFFAOYSA-N 352.442 2.442 0 40 FEAB CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@](C)(C(=O)O)C1 71979434 XAJIJWKEEUMYKS-AWEZNQCLSA-N 355.188 2.422 0 40 FEAB COc1cccc(NC(=O)[C@@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 33040184 HWCZDAUXYPIGGN-WMZOPIPTSA-N 374.462 2.152 0 40 FEAB COC(=O)c1cc(NC(=S)NCCCN2CCOCC2)ccc1Cl 44385546 VZKORHFUJXJDPF-UHFFFAOYSA-N 371.890 2.135 0 40 FEAB COc1cc(-c2nnc(SCCCC(=O)O)[nH]2)cc(OC)c1OC 224977332 KUNARGMVQDGQDE-UHFFFAOYSA-N 353.400 2.454 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H](Oc3cncc(OC)n3)C2)c(OC)c1 225497338 OEIPNUIRBDHONK-AWEZNQCLSA-N 373.409 2.186 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 40288326 JNNPWOZKTIVIFJ-UHFFFAOYSA-N 354.410 2.039 0 40 FEAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 195550509 XKHWJGLNAIBAQI-FCIDVOKBSA-N 358.785 2.382 0 40 FEAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3C2)cs1 96249704 IZVHKGBCBSHGHF-GDBMZVCRSA-N 352.504 2.092 0 40 FEAB O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108778 CZDLWNMVDHLWOC-SJLPKXTDSA-N 351.468 2.280 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3cnccn3)C2)cn1 257209609 BRBIRZVQINLDKS-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 257279079 OEYLDZHETYEWEH-INIZCTEOSA-N 350.422 2.369 0 40 FEAB CCCCS(=O)(=O)N1CC[C@H](CNc2noc(-c3ccccc3)n2)C1 585080352 USLLDKDDCYNVIS-CQSZACIVSA-N 364.471 2.600 0 40 FEAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(N)=O)CC2)c1 257322915 WHZCFDXGWMLDPX-UHFFFAOYSA-N 366.465 2.148 0 40 FEAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1 253479167 PAUUIRUBLOKSAJ-HNNXBMFYSA-N 359.451 2.228 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)cc1F 85560346 FYMKHFBDXRJEPS-SFHVURJKSA-N 365.426 2.033 0 40 FEAB C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262868423 XJSKLVULCLZENX-XHDPSFHLSA-N 369.439 2.322 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)c1cc(N2CCC[C@@H](CO)C2)ncn1 599441186 RRDYABPKQYSXSP-MRXNPFEDSA-N 370.453 2.093 0 40 FEAB Cc1cc2ncc(C(=O)N3CCc4cccc(C(=O)O)c4C3)c(C)n2n1 649257516 NEWBSFKKFOFUTA-UHFFFAOYSA-N 350.378 2.243 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]2CN(CC3(O)CCCCCC3)CC[C@H]21 585285180 WMEZZPDHDCSJOF-DLBZAZTESA-N 358.548 2.208 0 40 FEAB CO[C@@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Cc1cccc(C)c1 585280609 LRLAUQIWOZRJTF-RTBURBONSA-N 358.482 2.414 0 40 FEAB COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 685208710 VNQSISUFBPRQHJ-VIFPVBQESA-N 369.773 2.079 0 40 FEAB Cn1ncc2c(NCCc3ccc(OC(F)(F)F)cc3)nc(N)nc21 568243550 FLISYQKERSJTKQ-UHFFFAOYSA-N 352.320 2.499 0 40 FEAB COc1ccc(OC)c(/C=C\C(=O)N[C@@H](CO)CSCSC)c1 5202926 RWFHTIFTTYUMST-IRBQFCFKSA-N 357.497 2.248 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 11859145 HHCFNYSZKIHTSQ-SUNKGSAMSA-N 371.340 2.247 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(Cc4ccccc4)c3n2)s1 12114183 FZQOQGTWHAGKBK-UHFFFAOYSA-N 365.418 2.304 0 40 FEAB CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12347172 ZXGHKWGZOHUMQO-WBMJQRKESA-N 359.451 2.038 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cn1cc(Cl)cn1 13226882 ZMUAXVBAGREXDQ-GXTWGEPZSA-N 356.817 2.176 0 40 FEAB O=C(c1ccc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1 16430789 WUQJXBAJBHCJBD-UHFFFAOYSA-N 365.480 2.109 0 40 FEAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 162350942 AVJCCYHTXBEUCD-PXAZEXFGSA-N 356.426 2.105 0 40 FEAB O=C(c1cc2n(n1)CCCO2)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220765136 FIQJJVMZMIUXAH-GFCCVEGCSA-N 357.414 2.021 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3)ncc2C1 19018547 XCPLOXYAGNQZBY-LJQANCHMSA-N 364.449 2.287 0 40 FEAB COc1ccccc1CCC(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 253537722 QIWBLRQSFKJJMS-UHFFFAOYSA-N 370.453 2.217 0 40 FEAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cccc2c1OCCO2 1888856592 DBYCAVYQDXZNIJ-UHFFFAOYSA-N 372.400 2.033 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)c(C(F)F)n1 1775995241 JUFMAAMICVSLRO-LLVKDONJSA-N 351.357 2.079 0 40 FEAB CCOC(=O)C[C@@H](c1ccc(F)cc1F)c1oc(CO)cc(=O)c1O 85412456 SMPGJPXBFGUWLT-LBPRGKRZSA-N 354.305 2.201 0 40 FEAB Cn1cccc(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c1=O 1614931540 LFLYMPHKESYYDK-IBGZPJMESA-N 371.462 2.106 0 40 FEAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 4496157 RFJZLJHTZVFOFP-UHFFFAOYSA-N 357.391 2.457 0 40 FEAB CCN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 4940618 DSFNLCDEJCYMDD-UHFFFAOYSA-N 358.419 2.274 0 40 FEAB CO[C@@H]1CCN(C(=O)Cc2noc3ccccc23)[C@@H]2CN(CC3CC3)C[C@@H]21 2055715779 IYRBNXFOFDYMCP-QXAKKESOSA-N 369.465 2.328 0 40 FEAB CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O 12142843 VGTHOHWMXYUZNG-UHFFFAOYSA-N 369.469 2.322 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 19572972 YUAQQNHDHZQIGH-CRAIPNDOSA-N 368.485 2.250 0 40 FEAB CCOc1ccc(C(=O)NCCNc2cc(-n3cccn3)nc(C)n2)cc1 23144353 GQIRQSHHDYYPOP-UHFFFAOYSA-N 366.425 2.211 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1 70968621 TZLTWYVTTMZCEW-FQEVSTJZSA-N 354.406 2.048 0 40 FEAB CCOc1ccc(CC(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)cc1 75155448 SHKPXNRKOMYHLA-FQEVSTJZSA-N 357.406 2.380 0 40 FEAB COc1ccc(OC)c(CN2CCN(c3cnnc(O)c3Cl)CC2)c1 30592383 RNGKNUQFTKDRBL-UHFFFAOYSA-N 364.833 2.175 0 40 FEAB CCCc1nc(CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cs1 32778591 GWJBPYNOKDFLHK-JTQLQIEISA-N 372.541 2.419 0 40 FEAB CCOC(=O)N1CCC(NC(=O)C[C@H](NC(C)=O)c2cccs2)CC1 21440451 HPQACGBEWBUORR-AWEZNQCLSA-N 367.471 2.053 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCCCC2)nc1 32883884 SSMYEIBPOJJAMH-UHFFFAOYSA-N 363.421 2.421 0 40 FEAB COCCN1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Cl 78470772 IPJCVHGTZCZVSB-NSHDSACASA-N 367.298 2.383 0 40 FEAB Cc1cc(=O)c(O)c(CN2CCN(Cc3ccccc3Cl)CC2)n1C 79490988 HUPALYDUVXSKTR-UHFFFAOYSA-N 361.873 2.371 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccnn1C1CCCC1 102893852 QAUDAXKLUJYONF-HUUCEWRRSA-N 356.426 2.278 0 40 FEAB Cc1ccc(-n2ccnc2SCc2cc(=O)n3nc(N)[nH]c3n2)cc1C 103772624 JCICLRDIWZHFMY-UHFFFAOYSA-N 367.438 2.095 0 40 FEAB COc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)cc1 8433589 WMHXQYTXSKJPJD-UHFFFAOYSA-N 370.405 2.274 0 40 FEAB CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 839371 BHXNIBRYOLKRNY-UHFFFAOYSA-N 350.831 2.389 0 40 FEAB c1ccc(CCN2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc1 54193157 PBXPPJXOPJOHHF-UHFFFAOYSA-N 362.481 2.082 0 40 FEAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccs1 23108081 ZHZWRVUWZIFBMJ-OAHLLOKOSA-N 370.471 2.239 0 40 FEAB Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 47226905 HKUUUIIRVAPQDG-DLBZAZTESA-N 361.511 2.410 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 100747650 IWXVZIFVBBHOBT-NUJGCVRESA-N 372.513 2.376 0 40 FEAB CCc1c(C(=O)NCc2ccccc2OC)cnn1-c1ccc(OC)nn1 24545031 OTCAAUOUHXWPRB-UHFFFAOYSA-N 367.409 2.172 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)O[C@H](C(=O)N(C)C)c1ccccc1 25217645 PMAWFMQOWVXOFZ-IBGZPJMESA-N 368.433 2.488 0 40 FEAB CC(=O)N1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 12530081 OCQDJPMLEVHPGK-QGZVFWFLSA-N 358.417 2.023 0 40 FEAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 57355229 JJOLBMAVXFFMIG-ZDUSSCGKSA-N 366.893 2.475 0 40 FEAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57426684 AVUATDFQVHFZAN-UHFFFAOYSA-N 351.472 2.186 0 40 FEAB O=C1CC2(CCN(C(=O)c3ccccn3)CC2)CN1Cc1ccncc1 108526278 GXYQYWZFFABVHW-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB O=C(Nc1ccc(F)cc1)[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 57784919 ZBJLULOAFNPZPO-DLBZAZTESA-N 362.426 2.282 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180103 ARUMTAYSTDBRDZ-GNBIQWSPSA-N 372.465 2.484 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 25594357 PKKJIRYNYZJEBJ-SCLBCKFNSA-N 364.467 2.116 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)no1 58202864 WWFCGBVXYYFADB-UHFFFAOYSA-N 352.394 2.499 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)c2ccccc2O1 58356932 YEMKITIGVMOUMN-SFHVURJKSA-N 362.389 2.026 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 8791910 YEGNXXVWGXINLJ-ZFWWWQNUSA-N 350.426 2.447 0 40 FEAB biogenic Cc1ccc(CN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 12742923 IAHGTWPJLOFQNB-UHFFFAOYSA-N 371.462 2.082 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 3480504 SGYAFKPPUSWBTN-KRWDZBQOSA-N 351.406 2.487 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)C1(c2ccc(F)cc2)CCC1 48963518 POUHKNJXLPUXGE-UHFFFAOYSA-N 356.463 2.035 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H](CC(=O)O)c2ccccc2)C1=O 13428056 WMMAXMHXCNUBRJ-DZGCQCFKSA-N 368.389 2.133 0 40 FEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCC[C@@H]1C 4061088 ZPLMXWQEGZCBRV-LIRRHRJNSA-N 369.465 2.469 0 40 FEAB biogenic CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408601313 FKXQZIYIAXEOFI-OAHLLOKOSA-N 368.499 2.401 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)c1ccc(S[C@@H]2CCOC2=O)nc1 5088902 OTOQCBACUKOFNI-CQSZACIVSA-N 370.496 2.442 0 40 FEAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 20150504 JMAYTTKKIKIUGQ-MOROJQBDSA-N 364.467 2.116 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)Oc3ccccc32)cc1 13845167 ONJXSKGTUZQOSV-SFHVURJKSA-N 374.462 2.476 0 40 FEAB COc1ccccc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 9113288 ZOWDZMRAWAXOGJ-UHFFFAOYSA-N 354.453 2.101 0 40 FEAB CN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 65505149 VGKKELZSWMMUAW-UONOGXRCSA-N 352.429 2.185 0 40 FEAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C(N)=O 14233247 MMDBIGVVQCMYTD-VIFPVBQESA-N 365.484 2.284 0 40 FEAB Nc1c(C(=O)NCC2CC2)nsc1C(=O)NCc1cccc(Cl)c1 67335020 PRIMUYLGJUSKTR-UHFFFAOYSA-N 364.858 2.449 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)C1=O 15858378 RLBWGQSLWANUPF-VIFPVBQESA-N 358.847 2.181 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(Cl)cc2F)cc1 7566107 MNBDCIJBMSHJFH-UHFFFAOYSA-N 373.789 2.362 0 40 FEAB CCCCc1nc(CN2CCCc3ccc(S(N)(=O)=O)cc32)no1 81015190 BMLSMYSDLOCQQE-UHFFFAOYSA-N 350.444 2.012 0 40 FEAB CCc1nn(C)cc1NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 91166810 ZGDGWZGIAIOMRD-UHFFFAOYSA-N 357.414 2.099 0 40 FEAB Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cc(F)ccc2F)c1 8233215 CHHUYHJLGGTZEG-UHFFFAOYSA-N 362.332 2.185 0 40 FEAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC(F)(F)CO 97094889 HBYMOZYXRCFTCM-MRXNPFEDSA-N 362.376 2.292 0 40 FEAB CC(C)(O)[C@@H]1CCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 89761605 XZHQHBNLZUBCJF-INIZCTEOSA-N 361.417 2.066 0 40 FEAB COCCNC(=O)CSCc1nc2sc(C(C)C)cc2c(=O)[nH]1 40287375 WIPOMZLNPQQGSK-UHFFFAOYSA-N 355.485 2.104 0 40 FEAB Cc1nnc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)s1 36360809 GGVXSZOAKDFCEH-UHFFFAOYSA-N 367.390 2.450 0 40 FEAB CCOc1cc(NC2CCN(C(=O)CCc3ccnc(C)n3)CC2)ncn1 500466644 UXELJXIDHSVELY-UHFFFAOYSA-N 370.457 2.009 0 40 FEAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCNC5)ncc4C3)ccc2O1 72390936 YLYWPCUOPDLYTL-HIFRSBDPSA-N 364.449 2.075 0 40 FEAB COc1cccc(-c2cc3c(N4CCC(C(N)=O)CC4)nccn3n2)c1 67263449 AYKKLAGPKWSHEX-UHFFFAOYSA-N 351.410 2.107 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]12)c1ccncc1 306135382 OPKOBZPNEZVJEF-FRQCXROJSA-N 373.403 2.237 0 40 FEAB COc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(C)CC4)cnc23)cc1 38829642 BPBLYPWYEQRLKP-UHFFFAOYSA-N 365.437 2.101 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 72334014 BAZAWDAPCUUBRA-UHFFFAOYSA-N 362.332 2.396 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)c1 36358189 DHGRQKKHHOOHIP-UHFFFAOYSA-N 368.422 2.423 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)c(C)c1 224274072 PKDMNOACDXZBIM-UHFFFAOYSA-N 362.455 2.039 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)c2ccccc2)ccc1OC 224221376 HSJBUHDGYLMHPI-ZDUSSCGKSA-N 362.451 2.137 0 40 FEAB COc1nccc2c(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)cccc12 529474636 MKPFFEGFQXTLCL-LBPRGKRZSA-N 353.382 2.124 0 40 FEAB CC(C)c1ccc([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)C)cc1 47207883 NHQDFSMPZNACDU-IBGZPJMESA-N 366.527 2.354 0 40 FEAB COc1ccc([C@H]2N=C(N)NC3=Nc4ccccc4[C@@H]32)c(OC)c1OC 95117694 FGSKGRHSNQNBAW-HUUCEWRRSA-N 352.394 2.499 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96107636 LYIAQWYTERNSLA-RDJZCZTQSA-N 352.381 2.404 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCCC1)CN(C(=O)c1cnccn1)C2 96044957 OGAPRWWKQNBOGM-OAHLLOKOSA-N 355.442 2.157 0 40 FEAB Cc1cc(CN2CCN(C(=O)Nc3ccc4c(c3F)CCNC4)CC2)no1 581358526 VCMLOLZUKBYHFR-UHFFFAOYSA-N 373.432 2.118 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2c(C(C)C)noc2C)n1 257313130 URDMNIBSPLXAGP-ZDUSSCGKSA-N 359.430 2.460 0 40 FEAB O=S(=O)(Nc1cnn2cccnc12)c1ccccc1Br 1257327490 VNUPNNHPKXVHPH-UHFFFAOYSA-N 353.201 2.293 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)CCc3nc4ccccc4o3)C[C@@H](C)O2)o1 619289931 LHIKUDZGZCFCDO-IAQYHMDHSA-N 356.382 2.440 0 40 FEAB CO[C@](C)(C(=O)O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 663045470 IDBVGEMBYDKLIL-BMIGLBTASA-N 361.225 2.178 0 40 FEAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 390827833 KXAXLUPEBDHXBY-GFCCVEGCSA-N 369.393 2.214 0 40 FEAB COC(=O)C12CC(NC(=O)OC(C)(C)C)(CN1C(=O)OC(C)(C)C)C2 575423690 QQDRKGFYFUSFLH-UHFFFAOYSA-N 356.419 2.206 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccc(C)o3)CC2)C1 585102909 HQYUECORJAUCOI-MRXNPFEDSA-N 350.459 2.035 0 40 FEAB C[C@H]1c2ncc(CCOc3cccnc3)n2CCN1Cc1cnn(C)c1 585098005 QIAXHVRJHRXDPM-HNNXBMFYSA-N 352.442 2.210 0 40 FEAB Cc1occc1C(=O)N1CCn2c(COc3cccnc3)nnc2[C@H]1C 585097349 KJXPITTWZRFLDZ-GFCCVEGCSA-N 353.382 2.371 0 40 FEAB CO[C@]1(CCC(=O)NCCc2ccccc2F)CCCN(C(C)=O)C1 585280782 OYABMONFXAWJJH-IBGZPJMESA-N 350.434 2.292 0 40 FEAB Cc1ccc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)cc2)o1 72310001 PMCMJIOOMOTXAD-HNNXBMFYSA-N 351.399 2.268 0 40 FEAB Cn1nccc1C(=O)N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1 585581415 YYRGZBSROWFXAB-UHFFFAOYSA-N 367.457 2.175 0 40 FEAB Cc1nc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)co1 1615157467 OAOUBKXRJTZHJC-LJQANCHMSA-N 373.384 2.160 0 40 FEAB S=c1n(Cn2nnn(-c3ccccc3)c2=S)nnn1-c1ccccc1 5517025 YYRNIPLEICBGSO-UHFFFAOYSA-N 368.451 2.416 0 40 FEAB Cn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12363594 OZCMLTKEBIOZTA-UHFFFAOYSA-N 369.440 2.500 0 40 FEAB O=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1 14606949 ZFBUEFKPCXAFLJ-UHFFFAOYSA-N 368.368 2.131 0 40 FEAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)NC(N2CCCCC2)=N1 17075553 LJQOCAJSNOGQPX-ZDUSSCGKSA-N 368.359 2.374 0 40 FEAB O=C([C@H]1CN2CCC1CC2)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19344703 STMDJVPTHZIQMP-UONOGXRCSA-N 374.466 2.040 0 40 FEAB CCc1c(C)nc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)[nH]c2=O)[nH]c1=O 19521596 VXPATPXZRHCDHM-INIZCTEOSA-N 370.453 2.430 0 40 FEAB CN(C(=O)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 226305572 BDDFIZLWNUBSEA-UHFFFAOYSA-N 350.362 2.386 0 40 FEAB OC[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 6528354 JKCVMTYNARDGET-HZPDHXFCSA-N 358.390 2.146 0 40 FEAB endogenous,in-man COc1ccc(OC)c([C@H]2NC(=O)NC3=C2C(=O)N(CCC(C)C)C3)c1 9317410 XKJMGNNQPUCQDP-QGZVFWFLSA-N 359.426 2.200 0 40 FEAB CNCc1cc(NC)nc([C@H]2CCCN2C(=O)Cc2cccc(C)c2)n1 19760410 QOLXSNNLTHSQOZ-QGZVFWFLSA-N 353.470 2.452 0 40 FEAB O=C1CCCN1CCN1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888853666 JEJTWGFUZKOJSY-UHFFFAOYSA-N 369.444 2.027 0 40 FEAB C[C@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1ccccc1 25593450 KWPXTIBNKPIUAQ-AWEZNQCLSA-N 359.451 2.112 0 40 FEAB Cc1ncnc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)c1C 1614929571 DHXPRJMFENKYPU-FQEVSTJZSA-N 365.437 2.148 0 40 FEAB O=C1C[C@@H](c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)CN1 1069506 IZXTUULAGHJPDT-CQSZACIVSA-N 364.854 2.422 0 40 FEAB Cc1nc(C)c(-c2ccc(SCC(=O)N3CCOCC3)nn2)s1 4358344 CJBLOGYRRIMBQV-UHFFFAOYSA-N 350.469 2.168 0 40 FEAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1 17178529 MDMBEHJFQPBPQV-LJQANCHMSA-N 367.449 2.205 0 40 FEAB O=C(Cc1ccccc1)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745712 WJGZAWNZFBVSHJ-OAHLLOKOSA-N 353.422 2.127 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(Cc4coc(C)n4)CC3)n2)n1 1775972238 DUWNSRZQBMZLQG-UHFFFAOYSA-N 368.441 2.179 0 40 FEAB CC(C)(C)c1ccc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nn1 2086884469 XEQZXGCCECWULG-CYBMUJFWSA-N 368.428 2.237 0 40 FEAB C[C@H](OC(=O)CCc1ccco1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32672072 BYTITBMDIOWLPH-LBPRGKRZSA-N 365.407 2.398 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1C 4373230 FUSDVAWJABYWOT-CQSZACIVSA-N 366.421 2.329 0 40 FEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)c2)n1 40154782 GLFQHZVSDAPVTD-GFCCVEGCSA-N 366.377 2.095 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 40135447 DMULHPKPWYTLES-LBPRGKRZSA-N 373.406 2.213 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1noc(-c2cccs2)n1 31627075 DCLJNJGDJOIOFK-UHFFFAOYSA-N 368.374 2.321 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)nc3c2c(O)nn3C)c1 32712983 GRPVLNNTQIJGCM-LLVKDONJSA-N 370.409 2.491 0 40 FEAB O=C(CN(CCc1ccccc1)C(=O)c1csnn1)NC1CCCC1 1378477 LROLEMNGWXSAIY-UHFFFAOYSA-N 358.467 2.282 0 40 FEAB Cc1nc(C)c(NC(=O)SCC(=O)O)cc1NC(=O)SCC(=O)O 33513731 AKXJLSHURWUIEA-UHFFFAOYSA-N 373.412 2.398 0 40 FEAB CCOc1c(Br)cc(CNc2nnnn2CC)cc1OC 8339883 CDCLDIQFPDXDCK-UHFFFAOYSA-N 356.224 2.475 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2OC)CC1 8478387 ATNNJHFHQCOTTR-AWEZNQCLSA-N 350.415 2.153 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccc2)CC1 2943757 XBGSSHKPKAAHEV-UHFFFAOYSA-N 365.433 2.151 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1csc(C)n1 53930700 MCSXXNHTOLTADV-QGZVFWFLSA-N 356.451 2.296 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCO[C@@H](c2ccccc2)C1 23896819 LTJYSMZLGBLMCF-FGTMMUONSA-N 370.449 2.152 0 40 FEAB CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@H](C)O[C@H](C)C1 106142562 ZBTVJBVJVKUMMH-JTDSTZFVSA-N 371.485 2.017 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(F)cc2)cc1 55750003 FDSZLFHKQIYTTE-UHFFFAOYSA-N 350.415 2.418 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102195354 ROIWDFYDDLDZKE-LAQRGFTBSA-N 372.465 2.209 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 35325501 OGTDBCWWJUYDKB-HNAYVOBHSA-N 351.450 2.084 0 40 FEAB CCCCn1c(SCC(=O)NCCOC)nc2ccsc2c1=O 57478640 WIIHMBXCPXRHGJ-UHFFFAOYSA-N 355.485 2.113 0 40 FEAB CC(C)CCC(=O)NCC(=O)Nc1ccc(Cn2ccccc2=O)cc1 58306874 DSEGVUKJYSZZKZ-UHFFFAOYSA-N 355.438 2.388 0 40 FEAB O=C(NC[C@H]1CCCO1)c1nc2c3c4c(sc3ncn2n1)CCCC4 2226853 VZAAJOIFTDZBJT-SNVBAGLBSA-N 357.439 2.127 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10929643 HQAJYKLDTVFGBR-VIFPVBQESA-N 359.769 2.276 0 40 FEAB CCc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 12739193 FJTKDLXFHHKKQG-QGZVFWFLSA-N 354.385 2.447 0 40 FEAB O=C(NCCSc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 12797402 XVGDHGICEXPHHS-UHFFFAOYSA-N 369.446 2.261 0 40 FEAB CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21)Cc1ccccc1 29597159 YLPYJLOKWFRYGF-IBGZPJMESA-N 368.433 2.476 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 12917119 SOFAVTHWZREDKM-ZDUSSCGKSA-N 353.382 2.467 0 40 FEAB O=C(C[C@@H]1CC[C@H]2C[C@H]12)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408493951 MLUPZFXPTKXJIY-DCAQKATOSA-N 371.842 2.352 0 40 FEAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 14180606 DAMOEZBLXZDEBL-OXQOHEQNSA-N 372.396 2.341 0 40 FEAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ncccn2)CC1 14250595 KRNVIYKCZFBZQP-UHFFFAOYSA-N 373.265 2.294 0 40 FEAB CCN(CC)C(=O)CCC(=O)Nc1ncc(-c2ccc3c(c2)OCO3)n1C 4678866 BCSRKUXBECXKIZ-UHFFFAOYSA-N 372.425 2.403 0 40 FEAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 6650073 VPKGTSSESUWVPB-LBPRGKRZSA-N 356.378 2.303 0 40 FEAB CCN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C 9096189 SXGDIIWEKBBVRM-UHFFFAOYSA-N 362.455 2.214 0 40 FEAB NC(=O)c1ccc(OCC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 68211143 SIDJEEXCMBCSNJ-HNNXBMFYSA-N 360.797 2.458 0 40 FEAB CC(C)(C)n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 8184755 WDLOQCYUNGWBTB-UHFFFAOYSA-N 374.470 2.051 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 8263593 LFQXJDVWIRPDHK-LBPRGKRZSA-N 357.797 2.431 0 40 FEAB CN[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870893 MSIWXWCTOIBVHK-VIFPVBQESA-N 353.307 2.192 0 40 FEAB O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cc(Cl)nc(Cl)c2)C1 84335545 QPRPINHIEIVKAU-NSHDSACASA-N 350.271 2.045 0 40 FEAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncnc3c2cnn3C)CC1 71889372 IQPAGUMZTKKVPM-QGZVFWFLSA-N 356.474 2.371 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N(Cc1ccccn1)C1CC1 95393038 XNAGHTYBMACCIJ-UHFFFAOYSA-N 370.453 2.217 0 40 FEAB CC(C)C[C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCCC1=O 87135450 SDUTYBLOMYUYPW-DLBZAZTESA-N 362.474 2.428 0 40 FEAB Cc1ccccc1[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@@H](C)CO1 95403613 YHBBSOLSPGMXJP-HOCLYGCPSA-N 355.442 2.204 0 40 FEAB Cc1noc(COCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 95959715 YIBYKXRVLSIXEX-UHFFFAOYSA-N 373.409 2.252 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(CC3CCCC3)C[C@@H]1C2 306128464 HAWXMLVUIRMLAH-JKSUJKDBSA-N 357.502 2.245 0 40 FEAB Cc1cc(Nc2ncccc2C)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72360004 HNYPBGJQEQSZNO-AWEZNQCLSA-N 361.471 2.371 0 40 FEAB NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2CCc2ccccc2)C1=O 6596929 HLQPGBVLKOXMMG-RTBURBONSA-N 374.444 2.311 0 40 FEAB biogenic CCn1c(=O)c2ccccc2n(Cc2nc(-c3cccs3)no2)c1=O 38652712 ACLRFRUGHUWATF-UHFFFAOYSA-N 354.391 2.343 0 40 FEAB O=C(Cn1nnn(C2CC2)c1=O)N1c2ccccc2CCc2ccccc21 569292906 DVEIFQLSUQAXQZ-UHFFFAOYSA-N 361.405 2.238 0 40 FEAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1C 223260906 BVHNYHYCYFWXCH-UHFFFAOYSA-N 369.468 2.271 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1 225206429 VHOZMQLRJOSEAU-UHFFFAOYSA-N 360.505 2.381 0 40 FEAB CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cccc2c1OCC2 421151533 JWUHQKSOIYKRBJ-UHFFFAOYSA-N 361.419 2.464 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)C4CCOCC4)C3)C2=O)n1 96048837 WGXIONWXFNQXGX-OAQYLSRUSA-N 371.481 2.158 0 40 FEAB COc1cc(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc(C)n1 583618843 RHWQOBFNVSLRQZ-OLZOCXBDSA-N 359.348 2.070 0 40 FEAB Cn1cccc1C(=O)N1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 96110397 OWXNHRXQCNCVIS-QUCCMNQESA-N 355.438 2.258 0 40 FEAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@@H]21)c1cccnc1 96056216 FEJJTAOVXGNCFD-OKZBNKHCSA-N 357.479 2.410 0 40 FEAB COc1cccc([C@H](C)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 96105483 AYMGIIOXVDLOSK-ZDUSSCGKSA-N 359.426 2.127 0 40 FEAB Cc1nc2ccc(C(=O)N[C@]3(CO)COc4ccccc4C3)cc2nc1C 529820494 QUOANKYYCVXAAF-OAQYLSRUSA-N 363.417 2.343 0 40 FEAB COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 244358038 XUMSINKEDDLOKC-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cc2ccccc2C)n1 257293580 QQFAFUSWDQQQSF-SFHVURJKSA-N 352.438 2.327 0 40 FEAB CCc1cnc(N2CCO[C@H]3CN(Cc4ccccn4)CC[C@H]3C2)nc1 253606431 LUCNAXNQQKGOJP-HKUYNNGSSA-N 353.470 2.161 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3cccc(C)n3)CC2)C[C@H](O)C1(C)C 257327375 XBBYKAATONLHTQ-KRWDZBQOSA-N 359.470 2.004 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)COCc2ccccc2)cc1 263583505 DVQCJKSTDUDJKT-UHFFFAOYSA-N 357.362 2.172 0 40 FEAB COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccnc3ccnn23)cc1 626325089 GQYJUHOOAVEUII-KRWDZBQOSA-N 365.437 2.305 0 40 FEAB Cc1nn(C)cc1CCC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1117682646 MNBZJXCBGBPODG-HXUWFJFHSA-N 359.445 2.254 0 40 FEAB C[C@H]1Oc2c(cccc2C(=O)N2CCc3cccc(C(=O)O)c3C2)NC1=O 649257456 KRSBGOAYOGNBMB-LLVKDONJSA-N 366.373 2.303 0 40 FEAB C[C@@H]1C[C@@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)[C@@H](C)O1 665145729 QSGQDINLUUDSQU-CVFLJDHBSA-N 362.474 2.236 0 40 FEAB CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2ncccc2N(C)C)cn1 665897663 YECCZMPADKICNU-QAPCUYQASA-N 357.458 2.148 0 40 FEAB COc1ccc2c(c1)OC[C@H](NC(=O)c1cncc(-c3cnn(C)c3)c1)C2 678099029 UUUHIAAMDBXCEV-QGZVFWFLSA-N 364.405 2.224 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@](O)(c1ccoc1)c1ccco1)c1ccccc1 390827520 ZAVDZXFUACLTHT-VLIAUNLRSA-N 368.389 2.102 0 40 FEAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@]2(c3ccccc3)CC2(C)C)O1 664584013 ZXXIXXUWUDOFTR-FTRWYGJKSA-N 359.470 2.247 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)NC[C@H]1CCCO1 585112731 UQTMNJZTNQUOJV-MSOLQXFVSA-N 370.453 2.023 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)cn1 585276686 OYCPSQHHVZNVSW-FQEVSTJZSA-N 356.422 2.445 0 40 FEAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585111468 BAVJWKWXJKDOIJ-INIZCTEOSA-N 368.890 2.033 0 40 FEAB CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096023 LSZRSCYBTRNRIZ-MRXNPFEDSA-N 360.483 2.233 0 40 FEAB CN(CCO)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 95444581 SYVNXPRYRISIAW-VOTSOKGWSA-N 367.287 2.377 0 40 FEAB CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@H](C2CCCCC2)C1 664996427 PNAQOFLAPMGSCZ-HZPDHXFCSA-N 359.536 2.316 0 40 FEAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 5240429 UYATYPWVQOGGIN-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 12199790 RFHYFZWRKLZDCP-UHFFFAOYSA-N 350.440 2.341 0 40 FEAB CCn1c(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c2ccccc21 12871053 HXHSSCMHHVAQCY-UHFFFAOYSA-N 369.421 2.157 0 40 FEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575242 TUVSOPVNKLXTIP-CQSZACIVSA-N 368.499 2.447 0 40 FEAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N(C)C 19754246 LFQKFNOEUKYEMP-QGZVFWFLSA-N 367.453 2.178 0 40 FEAB C[C@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1nnc2n1CCC2 1252024688 IDTDRWDOOLYPPC-ZDUSSCGKSA-N 372.448 2.393 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888864421 MPMFOUJIDNALPW-WBVHZDCISA-N 353.422 2.407 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 23294972 ZORQUYJTHSBLRZ-UHFFFAOYSA-N 360.417 2.471 0 40 FEAB O=C(NCc1ccco1)NCc1nnc2ccc(-c3ccsc3)nn12 238859353 KJQIXXPLFGYHON-UHFFFAOYSA-N 354.395 2.445 0 40 FEAB Cc1cccc(O[C@@H]2CCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 238938763 VUBUNIZRQATLDA-QGZVFWFLSA-N 369.421 2.296 0 40 FEAB O=C(CCn1ccnc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912334 JWLUPEPUZCIONV-LJQANCHMSA-N 361.417 2.235 0 40 FEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 3906810 IJQCEZMAKOYDIJ-OAHLLOKOSA-N 365.433 2.126 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@H]21 2055750941 PEHICAIEHIJWLN-GGPKGHCWSA-N 359.470 2.449 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccccn2)C1 2055750998 WFBMMWFOBXNJLO-HXUWFJFHSA-N 352.438 2.257 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CCc1ccc[nH]1)CC2 2055837512 WQHJDFDJDVHBQT-KRWDZBQOSA-N 361.486 2.071 0 40 FEAB COc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 22765392 HYDRQBMFRFOOQO-GOSISDBHSA-N 359.495 2.475 0 40 FEAB Cc1cc(O[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)o1 218934384 WCOQZWCXZGKYSQ-ZDUSSCGKSA-N 358.350 2.362 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)c1ccc2c(c1)OCCO2 575413789 XJUSLLBRQSLSBZ-XCWSRWAASA-N 369.373 2.050 0 40 FEAB C[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)n1ccnc1 40154585 IUPGRRQTLVLVAX-CYBMUJFWSA-N 359.405 2.396 0 40 FEAB Cc1[nH]c2nc(C(=O)NCc3ccccc3)nn2c(=O)c1Cc1ccccc1 101417271 FCCSQAQTWIMLKY-UHFFFAOYSA-N 373.416 2.247 0 40 FEAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)nc(N2CCCC2)n1 21360550 JMJJHZQJZIHXDH-UHFFFAOYSA-N 356.382 2.131 0 40 FEAB Cc1csc(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 32882232 MNZDGWQNDVUVEC-UHFFFAOYSA-N 367.496 2.249 0 40 FEAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102427834 GETZHWXJKPIZOU-IYBDPMFKSA-N 356.422 2.150 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)Cc2ccc(-n3cccc3)cc2)no1 46792707 KEJRAKFAMFKDKG-UHFFFAOYSA-N 352.394 2.413 0 40 FEAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CCC(F)(F)F)CC1CC1 84233053 MGJQYHXZUSIOLS-UHFFFAOYSA-N 370.375 2.373 0 40 FEAB COC(=O)C1CCN(C(=O)COc2ncnc3sc(C)c(C)c23)CC1 3332772 CFSGKBKQZBHNMB-UHFFFAOYSA-N 363.439 2.099 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCO2 8180437 HLMRMLCYAUCZHN-UHFFFAOYSA-N 367.155 2.139 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c2ccccc21 42043041 JHKMUZIBVFBBGV-AWEZNQCLSA-N 363.483 2.205 0 40 FEAB Cc1nc(CN2CCN(Cc3cc(=O)n4cccc(C)c4n3)CC2)cs1 22924546 ROLHGPDVRSGTHP-UHFFFAOYSA-N 369.494 2.086 0 40 FEAB COCCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C 9022738 IIGONSHNZWTOAX-UHFFFAOYSA-N 364.471 2.257 0 40 FEAB COc1ccnc(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)c1 104749184 NKEPVXIMKZSTCD-UHFFFAOYSA-N 353.488 2.122 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(C(=O)O)c1 1022941 LXGGWYDJSIWYCT-UHFFFAOYSA-N 352.346 2.400 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 24540839 LIBKLFXUVLZYHN-DOTOQJQBSA-N 352.500 2.328 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CC1 24782311 JHQIKDOBKAQLSX-UHFFFAOYSA-N 371.462 2.429 0 40 FEAB O=C(CCc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 25131885 IKTOBUIXAGVJCB-UHFFFAOYSA-N 366.870 2.367 0 40 FEAB O=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2ccco2)CC1 25304721 MKFLOLLUYACQHH-IBGZPJMESA-N 372.465 2.186 0 40 FEAB C[C@@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 25572568 VGJXJRNHYVLETH-YJBOKZPZSA-N 360.433 2.163 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)CN1CCCc2cc(F)c(F)cc21 26343837 ZWBQVWLFQFJEBX-UHFFFAOYSA-N 353.413 2.091 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)CN1CCCc2cc(F)cc(F)c21 26726301 GARNUEKCDAKQDI-UHFFFAOYSA-N 353.413 2.091 0 40 FEAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102084344 XHMFZMDICPCWCM-QMWCDGKBSA-N 350.418 2.377 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(=O)O)CC1 12629574 OPUOIGWECVVBDR-OAHLLOKOSA-N 360.454 2.227 0 40 FEAB O[C@@H](CNc1ncnc2[nH]cnc12)COc1cccc(C(F)(F)F)c1 58160277 DFCUVBOZFDHKHD-JTQLQIEISA-N 353.304 2.224 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21 58186473 VRDDNJZZCZOECQ-UHFFFAOYSA-N 353.378 2.177 0 40 FEAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCC(n2cncn2)CC1 58152536 WANJOBYIFNBIOB-UHFFFAOYSA-N 356.415 2.061 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3ccc(C)cc3)c(=O)n2)cc1 44804198 SOCJAXITBWQDDH-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB COc1ccccc1CC(=O)N1CCC(NC(=O)CC[C@@H]2CCCO2)CC1 58210653 YQYCERHLHVGCFA-SFHVURJKSA-N 374.481 2.304 0 40 FEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24677693 SCOKTEOLPONLMK-TZMCWYRMSA-N 374.890 2.038 0 40 FEAB COc1cc(OC)c(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1OC 3370190 NJZRDPRSWYBMJD-UHFFFAOYSA-N 371.345 2.123 0 40 FEAB Cc1csc2nc(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)n12 10537542 CQMFESWORNAURM-QGHHPUGFSA-N 360.439 2.065 0 40 FEAB CC[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(C)on1 12743473 IXTVYNVODPMDSY-CQSZACIVSA-N 355.350 2.399 0 40 FEAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409411526 ILXLQIGAGMBJOE-GFCCVEGCSA-N 362.879 2.037 0 40 FEAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 4019339 TUGXODAQEQOHAK-UHFFFAOYSA-N 354.428 2.101 0 40 FEAB O=C(CN1CCC[C@@H]1Cc1ccccc1Cl)N[C@@H]1CCCCNC1=O 64249441 YUUAPWJPGKXISM-NVXWUHKLSA-N 363.889 2.132 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)c1nn(C)c(=O)c2ccccc12 13985465 XXVIZTGKDTXNCH-UHFFFAOYSA-N 351.362 2.281 0 40 FEAB NC(=O)N1Cc2sc(-c3cccnc3)nc2[C@@]2(CCN(CC3CC3)C2)C1 306129934 IRDFIOXSWGZNFM-LJQANCHMSA-N 369.494 2.453 0 40 FEAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1 5346104 ABCFDGOGEFYRHN-UHFFFAOYSA-N 372.402 2.310 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 6439211 UPUJMJBKVKKHFS-SLEUVZQESA-N 360.332 2.121 0 40 FEAB NC(=O)COc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 14138510 UICGDQOGCOYGQV-UHFFFAOYSA-N 366.417 2.286 0 40 FEAB CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1I 4674947 BPBYQDMRDYJMOM-RMKNXTFCSA-N 374.203 2.035 0 40 FEAB Nc1nc(NC2CCN(Cc3ccc(F)cc3)CC2)cc(-n2cccn2)n1 92891356 AEDJIFOMYFLSSB-UHFFFAOYSA-N 367.432 2.460 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(C)ccc2C)c2ccccc2O1 7253062 QEVADEQUTIFHGN-SFHVURJKSA-N 353.422 2.256 0 40 FEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 67795927 QKQDKBMKBGNLMD-PBHICJAKSA-N 373.453 2.170 0 40 FEAB COc1cccc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c1 8275740 MKTJZEOFAYLHJA-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB biogenic CN(C)S(=O)(=O)c1cccc(-c2nnc(C3(C)CCOCC3)o2)c1 71889781 VUGVRGADLDGWHN-UHFFFAOYSA-N 351.428 2.055 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 61511266 UYXYEMOTHBILIA-UHFFFAOYSA-N 357.410 2.471 0 40 FEAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349578 ISPSADXAEWNFEC-GDBMZVCRSA-N 358.438 2.500 0 40 FEAB Cc1nc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)s1 75093700 DIGFHYRSFGFJGG-QMMMGPOBSA-N 353.425 2.280 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 408554318 CISQWMXJMKMZFP-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB C[C@](O)(C1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1)C(F)(F)F 545955625 LIMLCRTUZADPST-INIZCTEOSA-N 368.359 2.433 0 40 FEAB Cc1ccc2ncc(C(=O)N3CCCC[C@@H]3c3cnn(C)c3)c(=O)n2c1 548343460 KCUOXCQZHAJIGX-MRXNPFEDSA-N 351.410 2.104 0 40 FEAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 517315303 PNNSBCIHVJPLCU-JTQLQIEISA-N 370.379 2.274 0 40 FEAB Cc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 72393266 WFBLMASWXYSLKC-INIZCTEOSA-N 362.437 2.310 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(F)cc1 47812249 OSVMYVRHJASNQU-CYBMUJFWSA-N 356.353 2.361 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccs2)cc1OC 225127613 PGVUBHZQFQMVKF-UHFFFAOYSA-N 357.409 2.045 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(C)cs3)c(C)cc21 223359714 BDYNWOWSTCUMTD-UHFFFAOYSA-N 353.425 2.489 0 40 FEAB CN(Cc1ccccc1)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946882 OUOMXFLPLBWWIJ-KRWDZBQOSA-N 364.442 2.465 0 40 FEAB Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 332717095 IJUKKFWXLNNARY-CDHAZOANSA-N 350.459 2.469 0 40 FEAB CC(C)c1sc(Br)nc1C(=O)NCCN1CCOCC1 95480158 SSFIAWBLPPOFOG-UHFFFAOYSA-N 362.293 2.091 0 40 FEAB Cn1ccc(C(=O)N2CCCC[C@]23CC(=O)N(Cc2ccccc2)C3)n1 96071741 MQILTRVTWWCKMH-HXUWFJFHSA-N 352.438 2.218 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96106976 QONVUYINUPVWCJ-KRWDZBQOSA-N 353.422 2.248 0 40 FEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC)cc2F)o1 96115996 XCOPOKYWZXLBFD-CYBMUJFWSA-N 366.341 2.335 0 40 FEAB biogenic COc1cc2c(cc1OC)CN(CCC(=O)NCc1cccnc1)CC2 96232285 YAEAQDYHORKGST-UHFFFAOYSA-N 355.438 2.163 0 40 FEAB biogenic Cc1cncc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)c1 257323051 WIOJKNQOLAQCGS-MRXNPFEDSA-N 350.422 2.369 0 40 FEAB CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257341969 ZMPDGEDOKBHTTJ-ONTIZHBOSA-N 374.525 2.211 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 253612833 IFOVTIFFRPGSOC-SRVKXCTJSA-N 352.481 2.315 0 40 FEAB COc1ccccc1CCNC(=O)C[C@H]1NC(=O)c2ccccc2N=C1O 36596604 AQLZZOPSGVAPEA-MRXNPFEDSA-N 367.405 2.144 0 40 FEAB biogenic Cc1cnc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cn1 585104976 MYDOTNHALZZGKB-OAHLLOKOSA-N 356.451 2.097 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)N1CCCC1 585112134 IPWWJIAGHMZZKE-KRWDZBQOSA-N 354.458 2.031 0 40 FEAB Cc1c(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)oc2ccccc12 685942666 LFTQCLMFNKSQEY-GZBFAFLISA-N 354.410 2.154 0 40 FEAB O=CN1CCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 12389561 PKIWWJFZOUWGOX-DKRLNXSXSA-N 362.433 2.214 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407169 HLANLXSXBNAVIX-MRXNPFEDSA-N 366.400 2.108 0 40 FEAB CC(C)OCC(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19706054 QJVWUJMCFWMYCS-QGZVFWFLSA-N 359.470 2.352 0 40 FEAB CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CC2CCCCC2)C3)CC1 19711011 LNKDIDIIRTVCIW-UHFFFAOYSA-N 373.501 2.317 0 40 FEAB CCN([C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1)S(C)(=O)=O 19712676 NASNZTJZBPQLSW-MSOLQXFVSA-N 368.499 2.167 0 40 FEAB Cc1nn2c(=O)/c(=C\c3ccc(-c4ccccc4Cl)o3)sc2nc1=O 4471144 NJLRHGNYBSQMNF-RIYZIHGNSA-N 371.805 2.281 0 40 FEAB Cc1nc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)no1 1888881836 INMNJFNRUJLBOG-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB C/C=C/C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 15694058 QQHQGJLGBGEDEJ-NWALNABHSA-N 356.300 2.498 0 40 FEAB CCOC(=O)c1ccoc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27556058 FCLFLLFHGOMAMJ-LLVKDONJSA-N 364.423 2.055 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)ccc1F 8961817 RVXPVENPMUFOBY-UHFFFAOYSA-N 350.371 2.057 0 40 FEAB Cc1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cc1 2055773093 VKAFPFFNWLFFBW-UHFFFAOYSA-N 366.465 2.349 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccncc2)CC1 2055732317 ASLLGPUXVFWYCI-UHFFFAOYSA-N 356.401 2.054 0 40 FEAB CC(C)(C)NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907580 HNZWBPVGJRCLPQ-QGZVFWFLSA-N 369.465 2.410 0 40 FEAB CCOC(=O)c1c(S(=O)(=O)Nc2cccc(SC)c2)n[nH]c1C 47417537 QJPKSJXHIUIWRX-UHFFFAOYSA-N 355.441 2.418 0 40 FEAB C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCOCC1 72341747 SJYUPJKETXLNDO-OAHLLOKOSA-N 368.481 2.244 0 40 FEAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 40072725 HVUVDUJGUWEHAO-INIZCTEOSA-N 350.426 2.080 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 40121573 YEZIAJGJHNYILN-SUMWQHHRSA-N 360.458 2.300 0 40 FEAB COc1cc2[nH]c(=O)c(C(=O)NCc3ccc(C)cc3)c(O)c2cc1OC 100632530 WJBOAIFKWIYHQH-UHFFFAOYSA-N 368.389 2.489 0 40 FEAB Cc1sc2ncnc(NC[C@H]([C@H]3CCOC3)N3CCOCC3)c2c1C 29831575 TZLIFZCCDYMPFA-LSDHHAIUSA-N 362.499 2.457 0 40 FEAB Nc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccncc2)cc1 799734 LTHQGYGGSNVXSZ-HNNXBMFYSA-N 350.300 2.273 0 40 FEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(=O)[nH]n1 33026711 KORVYILZKPZMPO-CYBMUJFWSA-N 361.467 2.090 0 40 FEAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 3015882 ILFQLAWMBOCPKD-UHFFFAOYSA-N 367.453 2.267 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 6742068 YELZNOOSBRBUHS-JFRXWTBNSA-N 354.450 2.162 0 40 FEAB COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2C)c2nnn[nH]2)c1 931787 VCCFPBSDVCDUCL-HNNXBMFYSA-N 367.409 2.490 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCCC2)c1 23805568 IIVBCNKTRKUCBH-UHFFFAOYSA-N 374.466 2.184 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1NC(=O)C12CC4CC(CC(C4)C1)C2)C31CC1 100539968 UTCYAHAQXRHCRL-AICQLVSCSA-N 366.461 2.431 0 40 FEAB Cn1c(=O)n(CCC(=O)OCc2ccc3c(c2)OCO3)c2ccccc21 55105041 MJTBNDKQDLJMBR-UHFFFAOYSA-N 354.362 2.202 0 40 FEAB C[C@H]1CN(c2ccccc2NC(=O)N[C@H](C)CN2CCCC2=O)C[C@@H](C)O1 106104568 RZMLBADBMFOAHA-OAGGEKHMSA-N 374.485 2.433 0 40 FEAB Cc1cc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)ccc1F 26055277 PAVYVSFKZGSEPC-UHFFFAOYSA-N 364.442 2.156 0 40 FEAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)c1 57489935 UKWCRSUKSLJRIO-UHFFFAOYSA-N 369.446 2.145 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1F 57646624 PGYRFZNGDQDJMX-UHFFFAOYSA-N 355.373 2.146 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 27394303 DCNRFXDJZMHZLF-GOEBONIOSA-N 350.846 2.487 0 40 FEAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCC(=O)N1CCOCC1 58184807 FHMGKUFOSMMDPF-MRXNPFEDSA-N 359.470 2.280 0 40 FEAB COc1ccc(CCn2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1OC 20156366 GLBMFBUUZBDLTI-UHFFFAOYSA-N 364.423 2.101 0 40 FEAB Cc1c(S(=O)(=O)NCc2ccccc2N2CCC[C@H](C)C2)cnn1C 54993622 OJMPKBDANPSJKK-AWEZNQCLSA-N 362.499 2.443 0 40 FEAB CC[C@](C)(CNC(=O)N(C)CCOc1ccc(F)cc1)N1CCOCC1 48290937 NIUMLTOXGFBKPY-LJQANCHMSA-N 367.465 2.347 0 40 FEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1 58202821 KYYGPIGSRFEVDV-GOSISDBHSA-N 365.433 2.030 0 40 FEAB CS(=O)(=O)Cc1ccccc1NCC(=O)N1CCc2sccc2C1 58202398 BDYHESNNLIXCMI-UHFFFAOYSA-N 364.492 2.290 0 40 FEAB CCOC(=O)CN(C(=O)CCNC(=O)C1CCCC1)c1ccc(F)cc1 58299525 QPFOLEAICUFMSA-UHFFFAOYSA-N 364.417 2.418 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)c3cccc(O)c3)c(C)c12 58225482 ZIROLJDJGGPKAY-GFCCVEGCSA-N 368.437 2.394 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)CCO1 58208677 QHTRURNYEXGAPW-CQSZACIVSA-N 364.446 2.351 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 20486178 JIQBLOLKZWPJNU-ZHACJKMWSA-N 366.468 2.221 0 40 FEAB O[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 58381415 USSSGWUGYSCAJT-GOSISDBHSA-N 358.413 2.406 0 40 FEAB CCC(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 21596153 OEHDMBBZTIXOOC-UHFFFAOYSA-N 360.468 2.062 0 40 FEAB O=S(=O)(CCCOn1nnc2ccc(Cl)cc21)c1ccccc1 58432344 ZUVGZIJSVBOUPY-UHFFFAOYSA-N 351.815 2.377 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCC1 28292369 LYYAAPGOCNKFMW-UHFFFAOYSA-N 373.236 2.325 0 40 FEAB CN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2C1=O 36685214 MPWFCVQJUSIVDJ-CQSZACIVSA-N 357.435 2.007 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 3454176 FBDIQZPASWZVEA-BBWFWOEESA-N 361.486 2.198 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)Cn2nc(O)c3ccccc3c2=O)c1 3502205 CMMWJBZSHBWAHW-UHFFFAOYSA-N 366.373 2.145 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)Cn1c(=O)cnc2ccccc21 12936187 RPUNFBRZIPXRDD-UHFFFAOYSA-N 355.369 2.073 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3nc(C(C)=O)cs3)CC2=O)cc1 12917652 SGNLWBKOFAUALQ-NSHDSACASA-N 359.407 2.346 0 40 FEAB CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 12918272 IWIOQXKKNLBNLW-LLVKDONJSA-N 374.418 2.498 0 40 FEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NCc1ccc(F)cc1 8735009 PASJBBPACMBUKW-UHFFFAOYSA-N 372.425 2.167 0 40 FEAB Cc1nn2c(=O)/c(=C\c3ccc(-c4cccc(Cl)c4)o3)sc2nc1=O 6455885 GGPWBDARLABNBN-RIYZIHGNSA-N 371.805 2.281 0 40 FEAB O=C(Cn1nc(-c2ccco2)oc1=O)Nc1ccc(Br)cc1 14166591 LSNLQWDZEWAQIG-UHFFFAOYSA-N 364.155 2.498 0 40 FEAB COc1cccc(CNCCNC[C@@H](C)O)c1OCc1ccccc1F 22075309 HHGLTBNDAORORW-OAHLLOKOSA-N 362.445 2.473 0 40 FEAB CCCCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 6818663 OCMSNHOJCCRGLL-UHFFFAOYSA-N 357.435 2.130 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCCOCc1ccccc1 9053956 FBKBJHRGTKTOED-UHFFFAOYSA-N 351.406 2.120 0 40 FEAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)CC1 7940728 CFZIZPAOAVBGCL-UHFFFAOYSA-N 351.834 2.058 0 40 FEAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 306128763 HJYBSDGEWGOTAT-UHFFFAOYSA-N 367.409 2.208 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C 8265603 BUMQJCQPTVFYIB-OAHLLOKOSA-N 351.406 2.394 0 40 FEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)c1 8261457 UYVMNRBXVNURRA-GFCCVEGCSA-N 354.362 2.416 0 40 FEAB COC(=O)C[C@@H]1C(=O)NCCN1CCCOc1ccc(C(C)(C)C)cc1 96797846 UMOPDHASELIBOP-QGZVFWFLSA-N 362.470 2.117 0 40 FEAB O=C([C@H]1CSCN1C(=O)c1ccccc1)N1CCc2ccc(O)cc2C1 95356887 XIPKWHRLIFVJQB-GOSISDBHSA-N 368.458 2.492 0 40 FEAB C[C@H](Cn1cc(Br)cn1)N[C@H](C)c1nnc2n1CCCC2 97017160 JDAJPYZKUWLVFS-GHMZBOCLSA-N 353.268 2.313 0 40 FEAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2ccccn2)CC1 24574087 LCIVDZDRMSONPH-UHFFFAOYSA-N 369.849 2.381 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)N(C)C 95999848 QLVDFGUIGBBYTL-SFHVURJKSA-N 356.470 2.010 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)c1[nH]c(C)c(C(=O)OC)c1C 9985269 JQIYAZVGRFATSJ-UHFFFAOYSA-N 360.366 2.252 0 40 FEAB Cc1ccc(F)cc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O 9951270 DLWBFMXXDMRIRX-SECBINFHSA-N 350.371 2.479 0 40 FEAB COC(=O)c1cnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 21762940 VFKWHEGEOCWMML-UHFFFAOYSA-N 352.368 2.208 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1Cl 30319011 KXGCTQOZFZUUAC-NSHDSACASA-N 369.826 2.467 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)ccc1-c1ccncc1 553218348 DNTKFLIROAIXSG-UHFFFAOYSA-N 352.394 2.326 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3ccnn3C)C2)c1 1528392465 VGFGGRGGDWVYJU-ZDUSSCGKSA-N 354.410 2.270 0 40 FEAB O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc(Cl)cn1 72149785 NEMVPZLCLDSJEC-SJORKVTESA-N 357.841 2.202 0 40 FEAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CCn3cccn3)CC2)C1 72394454 POKYMYOEAGSJDB-UHFFFAOYSA-N 368.481 2.467 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)CC)cc1OCC 32740499 MZCXTBKSCMAPPR-MLGOLLRUSA-N 373.471 2.350 0 40 FEAB CCOC(=O)C[C@H](c1cccc(OC)c1OC)c1c(O)cc(C)[nH]c1=O 72325418 YFQYWZGIPOJJSI-CYBMUJFWSA-N 361.394 2.491 0 40 FEAB biogenic Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)Cn1nccc1C 36615050 YRQOZMKZYJIPHL-VIFPVBQESA-N 361.418 2.015 0 40 FEAB C[C@H]1Cc2c(NC(=O)c3ccc(Br)o3)nn(C)c2NC1=O 35597740 FMSJWZNSFPICAB-LURJTMIESA-N 353.176 2.159 0 40 FEAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321392 PNWZAOGRRZWXCV-UYAOXDASSA-N 372.396 2.245 0 40 FEAB biogenic,in-vitro CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958146 GLNADZFGLPJUDB-LBPRGKRZSA-N 352.818 2.093 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccccc2)cc1 224000238 FPFREOVUHXORCN-UHFFFAOYSA-N 362.451 2.281 0 40 FEAB CCCS(=O)(=O)NC1CCN(Cc2cc(C(=O)O)sc2C)CC1 563892182 NKUTYVGPPSZYQX-UHFFFAOYSA-N 360.501 2.049 0 40 FEAB Cc1ccc(CS(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224730127 VFQQWTVTMRKVEY-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB C[C@@H]1C[C@]2(CCO1)CN(C(=O)Cc1nn(C)c3ccccc13)C[C@@H](C)O2 570918618 ISMMYHMJZSNXIS-STXHMFSFSA-N 357.454 2.301 0 40 FEAB Cc1noc(-c2cccn3c(CNC(=O)c4cc(C)oc4C)nnc23)n1 225747696 HGDNSKBVDFMTGO-UHFFFAOYSA-N 352.354 2.228 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 41154216 LIVMUSZFEBBWFL-UHFFFAOYSA-N 368.802 2.473 0 40 FEAB Cc1nc(N[C@@H]2CCCN(c3ccccc3F)C2)sc1S(N)(=O)=O 571898117 IRBCQXOBQQZYPX-LLVKDONJSA-N 370.475 2.319 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Cn2cccn2)cc1 48342393 UGHGSFALJSVFCX-UHFFFAOYSA-N 350.426 2.179 0 40 FEAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)O)cs2)C1 578077594 PCFCFNXDURPBEA-LLVKDONJSA-N 353.444 2.462 0 40 FEAB O=S(=O)(c1cccnc1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109374 ZHECYPGHPUDXOQ-QAPCUYQASA-N 359.451 2.346 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccccc1F)C2 96238106 YRCUWDGWNVPHGL-IBGZPJMESA-N 373.453 2.451 0 40 FEAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc3ccccc3s1)C2 247831684 HQBLZXWIDPQZTG-CYBMUJFWSA-N 365.476 2.177 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C)on2)C3)n1 247883769 SDYHMJIPZMIMIY-MRXNPFEDSA-N 357.410 2.277 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 252016588 VZJJTAOJQZMFMF-HNNXBMFYSA-N 356.426 2.420 0 40 FEAB C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 251055281 UBYDYCTYEIGTTB-KZTGVZKYSA-N 372.437 2.424 0 40 FEAB C[C@]12CC[C@@H](CNC(=O)CCN)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257288225 PTKHFKWDRCDNQZ-XYYCENQHSA-N 360.498 2.334 0 40 FEAB CC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257273850 NIMQOWOAQDALJV-MRXNPFEDSA-N 371.485 2.139 0 40 FEAB CC[C@@H](COCC(F)(F)F)NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 1190622813 WGIUZGQUYXKFFP-RYUDHWBXSA-N 359.410 2.223 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3CN(c4nc5ccccc5o4)C[C@]3(C)C2)cnn1C 1616031981 CGPHSNDCMGFZMJ-VLIAUNLRSA-N 365.437 2.468 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643893760 KCOAHHAHTIOEAZ-HNNXBMFYSA-N 356.426 2.294 0 40 FEAB CC(C)CS(=O)(=O)C1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 96380201 KDUQRPBVDOHYRQ-UHFFFAOYSA-N 354.516 2.420 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575406682 ZRNDPXVOWVFBRZ-MRXNPFEDSA-N 368.499 2.209 0 40 FEAB CC(C)(C)N1CC[C@@H](NC(=O)NCCc2nnc(-c3ccccc3)o2)C1 664501285 TWVZXWKJRJDLEL-OAHLLOKOSA-N 357.458 2.451 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)cc1F 57424730 IPOQANVGPHYUAF-LBPRGKRZSA-N 355.362 2.425 0 40 FEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 5133246 FKWCZSKCNSAVNV-UHFFFAOYSA-N 362.407 2.463 0 40 FEAB CCOc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1 5475572 LWNJQGYHOLGMPH-JJRVBVJISA-N 366.483 2.156 0 40 FEAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)on1 12251798 UGSCEIXVSFVSES-LLVKDONJSA-N 356.411 2.311 0 40 FEAB O=C(c1ccccn1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13267773 PGTPYHQCYDXAFI-ZDUSSCGKSA-N 362.393 2.054 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268232 BKNKMEBHKPVPTI-GDBMZVCRSA-N 354.410 2.129 0 40 FEAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)c2csc(C)c2)C3)C1 19571937 ZEBKAANNWUCCLJ-AWEZNQCLSA-N 370.478 2.381 0 40 FEAB COc1ccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)c(C)c1C 19577384 BLTRLBHDZYMXGL-UHFFFAOYSA-N 368.481 2.497 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829633 FPAALEUPFDHNAJ-NEPJUHHUSA-N 368.359 2.487 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)cc2C1=O 3549975 PWZYOWWGTQCTJT-ZDUSSCGKSA-N 374.437 2.400 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1c(C)noc1C)CC2 5230881 UDXRJLPZEINJCT-UHFFFAOYSA-N 374.393 2.050 0 40 FEAB c1cc2c(N3CCC(COc4ccc5nccn5n4)CC3)ncnc2cn1 1888906354 SCFIGPOSHQTMRB-UHFFFAOYSA-N 361.409 2.363 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4c3CCCC4)C[C@@H]2C)cn1 2086928080 JJWHMLJXTQILQB-HNNXBMFYSA-N 353.470 2.470 0 40 FEAB Cc1nnc(CN2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)o1 2087018093 AVEABDPPMBIRGU-UHFFFAOYSA-N 369.473 2.431 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)cs1 1565555493 IYCGGJAEUKEWFY-XJKSGUPXSA-N 363.508 2.486 0 40 FEAB CCOc1ccccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033826 XIERXZQKUPYKGV-UHFFFAOYSA-N 369.352 2.316 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374202 KGKWLOJYTGKGLA-ZDUSSCGKSA-N 357.341 2.481 0 40 FEAB C[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 4479661 JMSCYCRGTCUGDY-UONOGXRCSA-N 359.426 2.005 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 12180696 DJQQHBHBVMABRU-UHFFFAOYSA-N 360.324 2.271 0 40 FEAB COc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200017 GWCSLJFNRAWMDT-UHFFFAOYSA-N 360.391 2.149 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)on1 13597071 DELABLDSTRSJFE-GFCCVEGCSA-N 367.402 2.162 0 40 FEAB COc1cccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)c1 2055747776 VQTBFPWOKOHPNU-GUDVDZBRSA-N 360.454 2.371 0 40 FEAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 38490245 YRCMXZFJSIYNRI-UHFFFAOYSA-N 367.833 2.324 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1 206970874 DQZJGRBNQQKKDM-UHFFFAOYSA-N 371.389 2.418 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35374862 RVQBBAGREXBPOQ-LIRRHRJNSA-N 351.450 2.407 0 40 FEAB COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c(C)nn3C)cc(OC)c1OC 20086616 ZQFYMZBYKWLZOJ-HNNXBMFYSA-N 371.393 2.123 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100059877 JPUFBYQNQKVOGO-OZTPJHRESA-N 373.714 2.164 0 40 FEAB COc1c(C)cnc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c1C 50448867 QQUFVRRMFKUTSG-HNNXBMFYSA-N 355.442 2.030 0 40 FEAB Cc1nnnn1-c1cccc(NCC(=O)N[C@H]2CCOc3ccccc32)c1 50783359 KLQHXQGBXNKKHS-KRWDZBQOSA-N 364.409 2.023 0 40 FEAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101344811 WYVFDGXPLOJJKE-FUHWJXTLSA-N 360.373 2.174 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1C 32716945 WNOADWCFOSSCCX-INIZCTEOSA-N 374.418 2.191 0 40 FEAB CC(=O)c1sc(NC(=O)CCN2C(=O)CCC2=O)nc1-c1ccccc1 21588805 KVYFUZFNUKIXBG-UHFFFAOYSA-N 371.418 2.490 0 40 FEAB CCCc1nnc(S)n1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C 29837478 ALJVQKKVCSTCHA-CQSZACIVSA-N 365.478 2.078 0 40 FEAB CCCC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914246 LCSRIZKBIIJAEF-JTQLQIEISA-N 364.261 2.358 0 40 FEAB CSc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 11914428 GTMROWCNLYGLIG-UHFFFAOYSA-N 363.399 2.197 0 40 FEAB CC(C)(CNC(=O)c1ccccc1NC(=O)c1ccco1)N1CCOCC1 32971793 SIDACSSBTAVHAZ-UHFFFAOYSA-N 371.437 2.373 0 40 FEAB CNS(=O)(=O)c1ccc(N2CC[C@H](C)N(Cc3ccccc3)CC2)nc1 78689560 OMTZLDBZNYNMIH-INIZCTEOSA-N 374.510 2.091 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(C)o1 32983337 TUCAKASKWRULEV-SFHVURJKSA-N 370.405 2.021 0 40 FEAB COc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 6486732 KAFKUICIZVEOMN-GFCCVEGCSA-N 357.362 2.286 0 40 FEAB CCCn1c(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)n[nH]c1=O 7532800 SCBOKACJTQEHDT-SECBINFHSA-N 366.409 2.263 0 40 FEAB Cc1cc(NC(=O)CNc2cccc(C(=O)NCC(F)(F)F)c2)no1 22358065 OKTZQBXVIXPVFA-UHFFFAOYSA-N 356.304 2.326 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)NC3CC3)nc2s1 22800811 XIJPXOBTRLAAKO-UHFFFAOYSA-N 369.450 2.218 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2csc(C)n2)c(C)c1 53931146 VKLJDPDDAJPQSQ-UHFFFAOYSA-N 367.496 2.053 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CN2CCOCC2)cc1 23718073 FXBZOPYWELASQC-SFHVURJKSA-N 368.433 2.089 0 40 FEAB Cc1c(C(=O)N2CCOCC2)cnn1-c1ccc(Br)cc1 24374609 CIVYBMWDVIXZLJ-UHFFFAOYSA-N 350.216 2.416 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)N1CCCCC1 24828398 NSWIUNBHXORMDF-UHFFFAOYSA-N 360.501 2.078 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1-n1cnnn1 57638301 WXADANPQJKLVDU-UHFFFAOYSA-N 351.366 2.053 0 40 FEAB Oc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cc1 100120825 XPNBJRHERJNKHG-DNVCBOLYSA-N 352.438 2.281 0 40 FEAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 22741142 LFCXMSWHHUYSRQ-CQSZACIVSA-N 356.494 2.487 0 40 FEAB COCCNc1nnc(SCCc2nc3ccccc3c(=O)[nH]2)s1 58168384 OQKHTLUDNBGNKB-UHFFFAOYSA-N 363.468 2.168 0 40 FEAB CCc1ccc(-c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 12614418 ICRQSOKWMWFAFR-ZDUSSCGKSA-N 350.465 2.289 0 40 FEAB CCn1c(CCC(N)=O)nnc1SCc1ccn(-c2cccc(F)c2)n1 58249999 YYIHZWNOHNSEDX-UHFFFAOYSA-N 374.445 2.333 0 40 FEAB COc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 10449577 HECYUFUNCHWBFT-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB CCn1ncc(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)c1C 36615277 ZORHSAHPEHCYLD-UHFFFAOYSA-N 366.274 2.072 0 40 FEAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2ncsc2=S)C1 12733941 MDBOBNPLODZOLK-SNVBAGLBSA-N 361.539 2.382 0 40 FEAB CCc1cc(N(C)CCOc2ccccc2F)n2nc(C(=O)OC)nc2n1 48374600 IMXFFHZUDLDSPV-UHFFFAOYSA-N 373.388 2.128 0 40 FEAB Cc1ccn2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)nc2c1 8718418 HLDZWHRPEVZZGZ-UHFFFAOYSA-N 362.311 2.429 0 40 FEAB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)o1 13660357 SFZFZLHXWSLDLM-NVNXTCNLSA-N 359.838 2.348 0 40 FEAB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C(C)C 4370466 MISIVYDFHQXHCJ-UHFFFAOYSA-N 369.400 2.226 0 40 FEAB Cc1ccc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1C 5237237 CPPMRLAAPNODCI-UHFFFAOYSA-N 370.434 2.121 0 40 FEAB COc1ccccc1COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 6369124 BHIMAWWZERYETD-BFUOFWGJSA-N 360.410 2.239 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)c(C)c1 14171888 YGJLZGBRQBSJNQ-UHFFFAOYSA-N 362.451 2.352 0 40 FEAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 5422538 CQIWQWSUBKFOBE-UHFFFAOYSA-N 368.311 2.490 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1 65905406 JQHKJQHEQUWSPJ-MRXNPFEDSA-N 370.384 2.167 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccccc2)N1 14606993 SADNDWRPNZSFDF-HNNXBMFYSA-N 352.394 2.380 0 40 FEAB CC(C)CCNC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14751600 VRIZWBVRXJITCP-AWEZNQCLSA-N 363.483 2.010 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CCCCC1 6984029 GZPFDXFOYGELDM-INIZCTEOSA-N 367.515 2.398 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)cc1 7530248 PPNMVFWBKKFTII-UHFFFAOYSA-N 371.470 2.088 0 40 FEAB Cc1cccc(OCCN(C)C(=O)Cc2nn(C)c(=O)c3ccccc23)c1 16148463 MUUOGZFQXMKYEI-UHFFFAOYSA-N 365.433 2.322 0 40 FEAB O=C(Nc1ccccc1)C1CCN(C(=O)NCCCn2ccnc2)CC1 9319433 ZMWBQGLMJMJMMR-UHFFFAOYSA-N 355.442 2.334 0 40 FEAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 408553255 PMBFOKFEODAQSJ-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H](CN2CCOCC2)C1 69743618 YNKWGBBXNQSNFX-OAHLLOKOSA-N 359.445 2.420 0 40 FEAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9582114 DPNSPIXUBYPCQT-FQEVSTJZSA-N 367.405 2.022 0 40 FEAB Cn1ccc2ccn(Cc3nnc(C(=O)Nc4ccccc4)s3)c(=O)c21 95454315 OZMWDIMYAPMBOO-UHFFFAOYSA-N 365.418 2.492 0 40 FEAB CN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 95457546 XUPVZRLLLAOHQN-UHFFFAOYSA-N 374.359 2.392 0 40 FEAB C[C@@H](C(=O)NC1CC(C)(C)NC(C)(C)C1)N1C(=O)c2ccccc2C1=O 75241251 VVYQGMHYNFHDTR-LBPRGKRZSA-N 357.454 2.097 0 40 FEAB CC(C)n1cc(CN2CCn3cc(C(=O)N4CC=CC4)nc3[C@H]2C)cn1 306130875 JRPLKWVWRVRLJZ-OAHLLOKOSA-N 354.458 2.249 0 40 FEAB Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1ccccc1 409383903 ODHCTNIYJORWIB-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB O=C1NCCN(C2CCN(Cc3ccccn3)CC2)[C@H]1c1ccc(F)cc1 65468571 KDHUNAUVOLMVCC-FQEVSTJZSA-N 368.456 2.358 0 40 FEAB COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)CC2 524732557 AXHFYSFRUDYSCA-CQSZACIVSA-N 368.389 2.452 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CCc4ccccc4C3)ccc21 36740437 QQGUMVOYQXJZHN-UHFFFAOYSA-N 370.474 2.250 0 40 FEAB CCN(CC)C(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556583 XWOUONPQJRDNRZ-GDNBJRDFSA-N 370.478 2.197 0 40 FEAB CCC[C@H](C)c1cc(NS(=O)(=O)c2cncc(C(=O)OC)c2)n[nH]1 562418338 MVGKDTTVDKAPCJ-JTQLQIEISA-N 352.416 2.296 0 40 FEAB O=C(NCc1cccnc1)C(=O)Nc1ccc(Br)cc1F 42645885 CTTHEQNQCJZSPT-UHFFFAOYSA-N 352.163 2.238 0 40 FEAB C[C@H](CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 224388796 KPYAMAGFBKXGQM-KDOFPFPSSA-N 374.462 2.134 0 40 FEAB CS(=O)(=O)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 85556074 VCUKVIBCLHQOFR-UHFFFAOYSA-N 352.359 2.338 0 40 FEAB Cc1cc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1Br 137843915 XDBWSPUYZIZFSP-WDEREUQCSA-N 361.286 2.411 0 40 FEAB CN([C@@H](C(=O)N1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O 225601274 QJAGCMRDFMTUPT-GOSISDBHSA-N 358.463 2.204 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccco2)c1 225847399 YTGDSIJOLFGTLK-UHFFFAOYSA-N 355.437 2.278 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 43875106 ACGMPKUEXFYNNC-UHFFFAOYSA-N 365.437 2.328 0 40 FEAB CCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224358492 XOGUILWVKFWMFK-UHFFFAOYSA-N 371.441 2.030 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 145513192 ODCGOPKGSWRTFB-UHFFFAOYSA-N 367.354 2.184 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCNC2)C1=O)c1ccc(-c2ccccc2)cc1 577726945 PBDZKSJDIZEMCQ-NRFANRHFSA-N 363.417 2.210 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96206186 GVZAZLLRJTUXBJ-PXNSSMCTSA-N 353.422 2.457 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CCO1 95476739 NLDJWQDSQJSLJN-RYUDHWBXSA-N 374.416 2.129 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1 96240836 XBFWGWDMYIENDY-SFHVURJKSA-N 356.466 2.390 0 40 FEAB COC[C@@H]1CCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)N1C 96209130 MBLXJJIGRAFKTC-INIZCTEOSA-N 350.434 2.306 0 40 FEAB O=C(COCC[C@@H]1CCOC2(C1)CN(Cc1ccccn1)C2)N1CCCC1 247741143 OFDLFOIIHKOWOL-GOSISDBHSA-N 373.497 2.092 0 40 FEAB O=C(c1ccco1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 247798111 DPPHPGLRKDUVFB-AWEZNQCLSA-N 352.398 2.041 0 40 FEAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257283098 OWTDCDFWHGOSJU-OAHLLOKOSA-N 359.430 2.044 0 40 FEAB O=C(c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1cccnc1)N1CCCC1 257326638 WXZVKYQIPWKVLR-QGZVFWFLSA-N 367.453 2.337 0 40 FEAB COCc1ccc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)cc1 257242335 IBYRETYJKAKFGV-GOSISDBHSA-N 355.438 2.405 0 40 FEAB COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cnc3n[nH]c(C)c3c2)c1 282523640 OWHFAKBZSJKVHK-RHSMWYFYSA-N 352.394 2.223 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)N1CCCC1 635114446 WCGHNBRFMUYDDS-ZWKOTPCHSA-N 373.497 2.207 0 40 FEAB CC(=O)N[C@@H]1CN(CCCOc2c(C)cccc2C)C[C@H]1c1ccnn1C 1615551437 XIKVIGJCMGINBY-RTBURBONSA-N 370.497 2.410 0 40 FEAB c1ccc(OC2CCCC2)c(CN2CCN(CCn3cncn3)CC2)c1 77438223 OUJYABRXKYNOBM-UHFFFAOYSA-N 355.486 2.417 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CCO3)C2)c1 575405305 YNOLSKJDZBCRIO-HNNXBMFYSA-N 357.385 2.377 0 40 FEAB Cc1ccc(C[C@@]2(CO)CN(Cc3cccc(C(=O)O)c3)CCO2)cc1 585277636 NXIWPWZFRNKYEH-NRFANRHFSA-N 355.434 2.499 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 5537434 WNOVAHIJEMPNBU-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 5082608 WQTCCLWGRXYUHA-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 12145384 IZMFOKZIKVHDPD-HNNXBMFYSA-N 359.426 2.486 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146700 OFTIRMNLYIQZGI-AWEZNQCLSA-N 366.421 2.223 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](c4ccccc4)C3)cc2[nH]1 12238973 FPXDQZFBGWJSAB-CQSZACIVSA-N 357.435 2.425 0 40 FEAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccc3nccnc3c1)C2 19345799 BFGOBWWMLYQLAL-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB CCn1c(=O)n(CC)c2cc(CN3CC[C@@H]4NC(=O)CCCC[C@H]43)ccc21 19713230 DCCONCPDBUMWRW-DLBZAZTESA-N 370.497 2.476 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 19752615 ICVPHMQQMQVFRX-INIZCTEOSA-N 359.518 2.215 0 40 FEAB COc1ccccc1N1CCN(C2CCN(C3CCOCC3)CC2)CC1 252501354 UEYCXSXXKHUFDI-UHFFFAOYSA-N 359.514 2.461 0 40 FEAB O=C(NCCOc1ccccc1)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888979417 NYAQBWWBUXPNMK-IBGZPJMESA-N 366.421 2.284 0 40 FEAB Cn1cc(C(=O)OCc2cc3c(cc2Br)OCCO3)cn1 25119230 YVBCDHVEJOQDOA-UHFFFAOYSA-N 353.172 2.311 0 40 FEAB C[C@@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 25572561 VGJXJRNHYVLETH-MAUKXSAKSA-N 360.433 2.163 0 40 FEAB COc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(O)n(C)n2)c1 2037843532 FENGMXJUDXCQIB-OAHLLOKOSA-N 351.428 2.050 0 40 FEAB COc1cc([C@@H]2C[C@@](O)(C3(O)CCCCC3)ON2)cc(OC)c1OC 78547006 ZDVFVGCGQOMJDF-UGSOOPFHSA-N 353.415 2.062 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1)c1ccco1 1565554038 PTGDYZXZVNXTTH-CXAGYDPISA-N 368.380 2.205 0 40 FEAB Cc1ccn2c(=O)nc(SCC(=O)NCc3ccccc3Cl)nc2c1 4503963 UAJSGUQVNZPOFS-UHFFFAOYSA-N 374.853 2.460 0 40 FEAB CCc1nc2sc([C@H](c3ccco3)N3CCN(CC)CC3)c(O)n2n1 22578180 DEJNIXBXQUSREJ-AWEZNQCLSA-N 361.471 2.379 0 40 FEAB Cc1nc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)cc(C(F)(F)F)n1 2298029642 YAOZCUVOBZQSND-NSHDSACASA-N 354.380 2.248 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cc1F 19214431 PQIACJHKCFMTRX-HNNXBMFYSA-N 367.428 2.467 0 40 FEAB Cn1c(SCC(=O)c2ccc3[nH]c(=O)oc3c2)nnc1-c1ccncc1 12615497 LDIOTUTWLFXSKT-UHFFFAOYSA-N 367.390 2.287 0 40 FEAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 16038800 SVODXASRTNDFIO-UAFMIMERSA-N 373.412 2.463 0 40 FEAB C[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cnc2ccccc21 30636671 AHXGBJOWLBJCKB-OAHLLOKOSA-N 365.437 2.145 0 40 FEAB COc1ccccc1C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1 31745096 NGRBQSIFHGGTQA-UHFFFAOYSA-N 366.464 2.316 0 40 FEAB CN(c1ccccc1)c1ccccc1NC(=O)COC(=O)[C@H]1COCCO1 51111145 VWSNABBBKBQPAZ-GOSISDBHSA-N 370.405 2.352 0 40 FEAB C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccco2)C1 20573338 JWKWXKIWJHAGPW-ZDUSSCGKSA-N 352.394 2.124 0 40 FEAB CC(C)C(=O)N1CCCC[C@H]1C(=O)OCc1nc(N)c2ccccc2n1 52257988 LXSUJAACYSSDJY-HNNXBMFYSA-N 356.426 2.292 0 40 FEAB CC[C@@H](CNC(=O)CN(C)C(=O)c1ccco1)N1CCc2ccccc2C1 46246521 VADUYEAPTQAYKZ-SFHVURJKSA-N 369.465 2.305 0 40 FEAB COC(=O)c1ccc(Cl)c(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 21896115 MVNHLQKYFJLTIU-UHFFFAOYSA-N 373.796 2.419 0 40 FEAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2ccc(Cl)cc2)n1 3423652 VOWLZVUYLBGAAU-UHFFFAOYSA-N 353.769 2.290 0 40 FEAB CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)c(F)c1 103075025 KFTUGUFTCUZYKN-NXKWAJLKSA-N 360.360 2.125 0 40 FEAB CCC(=O)N1[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@H]2CCCC[C@@H]21 4740198 TYQWPORPLARDRY-JYJNAYRXSA-N 361.417 2.203 0 40 FEAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 6818338 GQARUFZHJJDBTI-UHFFFAOYSA-N 354.457 2.266 0 40 FEAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 47478358 VHXFCTHUKMMYHT-LBPRGKRZSA-N 369.450 2.439 0 40 FEAB CN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCCc2ccccc21 103412001 BFZAROKEZJJUIY-OVWALXMSSA-N 364.445 2.330 0 40 FEAB Nc1nc(COC(=O)c2ccc3nccnc3c2)nc(Nc2ccccc2)n1 12534203 KYFACURRLGXSES-UHFFFAOYSA-N 373.376 2.498 0 40 FEAB Cc1ccccc1CN1CCN(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 22815285 RHPTWVVVDFTTQB-OALUTQOASA-N 355.482 2.245 0 40 FEAB CN1CCN([C@H](CNc2nnnn2-c2ccccc2)c2cccs2)CC1 22804240 CGBLSHZHYLMMOT-MRXNPFEDSA-N 369.498 2.124 0 40 FEAB O=C(NCc1ccco1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819350 OXWAIVOGFCIWGQ-KRWDZBQOSA-N 354.337 2.321 0 40 FEAB CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 54213342 UPTMTJFNYVSAPO-UHFFFAOYSA-N 366.826 2.355 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9828037 SWJWEPBLFOKKLY-UHFFFAOYSA-N 356.378 2.421 0 40 FEAB O=C(NCCCn1ccnc1)N1CCN(Cc2ccc(Cl)cc2)CC1 23673192 HXHRKYOPGPONOS-UHFFFAOYSA-N 361.877 2.454 0 40 FEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1COc2ccccc2O1 23718879 FTXYKNRFNAVXSO-PXAZEXFGSA-N 370.430 2.446 0 40 FEAB Cc1ccc(C)c(OCC(=O)OCC(=O)NC(=O)Cc2ccccc2)c1 12595225 TTWVWOLGXJHHGW-UHFFFAOYSA-N 355.390 2.111 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(C)o2)cc1S(=O)(=O)N(C)C 12689348 HPSUQBSKSAKPDO-UHFFFAOYSA-N 352.412 2.489 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1C 12602993 DRRYUCNZZJQBHC-LBPRGKRZSA-N 350.415 2.412 0 40 FEAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(Cn3cncn3)cc2)CCC[C@H]1C 107328648 QZYLHBXMMNHCIS-VKJFTORMSA-N 370.453 2.424 0 40 FEAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 58162394 VYWYDQAHTSWRJA-NSHDSACASA-N 367.858 2.104 0 40 FEAB O=S(=O)(c1c(F)cccc1F)N1CCC(CCN2CCOCC2)CC1 58210311 GJLVWHVRHUYBMY-UHFFFAOYSA-N 374.453 2.088 0 40 FEAB O=C(CCC1CCCC1)NCCC(=O)N1CCN(c2ccccn2)CC1 58266110 CKFGKVOGFRLBLE-UHFFFAOYSA-N 358.486 2.207 0 40 FEAB CC(C)c1c(C(=O)Nc2ccn(CC(N)=O)n2)cnn1-c1ccc(F)cc1 58224966 UTLSYHLZTBXLSL-UHFFFAOYSA-N 370.388 2.069 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](Cc1ccccc1)C(N)=O 58224298 KSYSUCYDJALRDS-GOSISDBHSA-N 363.417 2.405 0 40 FEAB COc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102087908 GJIWHVVCMDEGIT-BQWDKAHXSA-N 366.417 2.075 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cscn1 48313272 BWODKINUMUILLA-AWEZNQCLSA-N 360.483 2.439 0 40 FEAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ncccn2)c(C)c1 11368249 ZUBIGIRLZNPNIS-LBPRGKRZSA-N 355.427 2.188 0 40 FEAB CC(C)[C@H](C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 3439309 DRTKRXJQEHUWKH-RYUDHWBXSA-N 354.834 2.162 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCCc2ccccc2)c1C 3587547 KIDYSEDLMFSGKU-UHFFFAOYSA-N 372.421 2.324 0 40 FEAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3C)ccc21 13029317 FDDGUXFEWROJTM-UHFFFAOYSA-N 374.418 2.403 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNCc1ccc2c(c1)OCO2 63120296 CKGWWRHQFXWCSH-ZDUSSCGKSA-N 367.405 2.269 0 40 FEAB CC(=O)Nc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 4349644 GHUMZSSUAAKHFC-UHFFFAOYSA-N 369.421 2.429 0 40 FEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCc1ccccn1 5245571 FTNVVASSTITQDW-UHFFFAOYSA-N 350.374 2.372 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)C(=O)N(C)[C@@]1(O)C(F)(F)F 14013548 OACMMKFXQOEHAZ-HUBLWGQQSA-N 360.332 2.155 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCCC2=O)cc(Cl)c1OC(C)C 5489310 ARTVOTKYDYFGFY-UHFFFAOYSA-N 369.801 2.442 0 40 FEAB COc1cccc(CNC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 14730575 ZYKFUACPZQAPFR-XYPWUTKMSA-N 359.422 2.250 0 40 FEAB COc1cc(COC[C@@H](O)CN2CCCC[C@H]2C)cc(OC)c1OC 5867089 NSGAMEJUVFZLSE-ZBFHGGJFSA-N 353.459 2.464 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F 6922257 UDFXBWWVRFDIQP-CPCISQLKSA-N 372.269 2.315 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1 7674589 IOBUNIQMTYSHTI-UHFFFAOYSA-N 358.423 2.010 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc2c(c1)OCCCO2 8036490 LVSCWNMZWGRQPK-UHFFFAOYSA-N 357.391 2.258 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 8181726 YJDQFOKBQSKRMC-ZDUSSCGKSA-N 350.415 2.324 0 40 FEAB O=C(CN1CCC(O)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 69245606 YQLUALOXIFTMNW-OAHLLOKOSA-N 359.451 2.476 0 40 FEAB C[C@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)NC(=O)NC(C)(C)C 8457305 MLSSYHBQUGNHSA-ZETCQYMHSA-N 354.457 2.090 0 40 FEAB COc1ccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)cc1-n1cnnn1 72301082 UHOLVAMEFFJLOM-MDZDMXLPSA-N 371.422 2.392 0 40 FEAB COCCn1cc(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)cn1 72272869 KHXVUNQSXHWWGE-UHFFFAOYSA-N 361.446 2.251 0 40 FEAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1N1CCOCC1 84357823 PVPDOCWJEJLBRQ-UHFFFAOYSA-N 351.362 2.277 0 40 FEAB C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 95997698 QKVATGBDQSMIJS-BZNIZROVSA-N 365.861 2.154 0 40 FEAB CCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408593289 PWOPOOWPZZMVNQ-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB CCn1cc(CN2Cc3ccnn3C[C@@H](Oc3ncccc3F)C2)cn1 306126691 FCDUIKTXYCIFKK-INIZCTEOSA-N 356.405 2.097 0 40 FEAB CCN(CC)CCCN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 54173060 CPLHFFFGFNRHGG-HNNXBMFYSA-N 355.866 2.443 0 40 FEAB c1cnc(OC[C@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn32)nc1 306127979 GMTLPYBXTHGLRR-MRXNPFEDSA-N 365.393 2.038 0 40 FEAB CCOC(=O)N1CCN(CC(=O)Nc2ccccc2Br)CC1 35622999 WVUCAUOKVNWSGJ-UHFFFAOYSA-N 370.247 2.162 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 30205316 MLHILRVJLLOWFK-QGZVFWFLSA-N 353.374 2.213 0 40 FEAB Cc1nc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)ncc1C(N)=O 72345415 NONQMDXQJANYKM-INIZCTEOSA-N 356.401 2.319 0 40 FEAB CN(CC(=O)NCc1ccncc1)C(=O)c1ccc(Br)s1 48345780 SHGSAJOGUARFEB-UHFFFAOYSA-N 368.256 2.294 0 40 FEAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COC 224687255 CLEPEASZRUTXIU-UHFFFAOYSA-N 364.423 2.131 0 40 FEAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1-c1ccn[nH]1 40398119 TXHUQIFAOHUADV-UHFFFAOYSA-N 363.768 2.472 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCC(C)(C)C)cc1 226057636 JAIMERXRSHUPOP-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2ccc(C)c(-n3cnnn3)c2)nc1C 40268557 LBBWCANMYAZXEG-UHFFFAOYSA-N 372.410 2.165 0 40 FEAB CCCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 224484860 GRWIHPQPSJALMF-UHFFFAOYSA-N 354.457 2.177 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C[C@H]2CCOC2)C1 247540187 SBCLPCGVKDQZDE-OLZOCXBDSA-N 358.891 2.354 0 40 FEAB CN(C)c1cc(N2CC3(C[C@H](Oc4ncccc4F)CS3)C2)ncn1 248132696 QTVIZQOHKWTSIM-LBPRGKRZSA-N 361.446 2.220 0 40 FEAB Cc1ccsc1CN1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 253599715 TWFZSXUIHHFFII-INIZCTEOSA-N 364.511 2.429 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccc(OC)nc3)CC2)cn1 257206603 BEDQWCKERWHHEJ-CQSZACIVSA-N 355.442 2.407 0 40 FEAB CN1CCN(C(=O)c2ccc3c(c2)CCNCC3)[C@@H](Cc2ccccc2)C1 653253917 DMGXXXSSJFIISN-QFIPXVFZSA-N 363.505 2.374 0 40 FEAB O=C(O)Cc1csc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 675945353 UMAGACBUPPDBOJ-RYUDHWBXSA-N 360.391 2.284 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)N1CCCC1 585112287 MUHGNHPKBNMGLZ-KRWDZBQOSA-N 354.458 2.031 0 40 FEAB CNC(=O)CN1CCC(NC(=O)c2oc3c(C)ccc(C)c3c2C)CC1 56394872 RZEUNGNREQTLGE-UHFFFAOYSA-N 357.454 2.298 0 40 FEAB Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1COC2(CCC2)C1 658014741 ZADYWJWTEHNCAC-CQSZACIVSA-N 358.891 2.228 0 40 FEAB FC(F)(F)c1ccnc(N2CCN(c3ncnc4cnccc34)CC2)n1 1889139326 CKVWQRCFOBUWHW-UHFFFAOYSA-N 361.331 2.160 0 40 FEAB CCS(=O)(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226565 VBTIBTJWKVBDDN-UYSNPLJNSA-N 360.495 2.177 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1614939202 VTMPYFGAVCUNBJ-INIZCTEOSA-N 372.856 2.059 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccsc1 8863652 YJOPBTMENKCKFB-AWEZNQCLSA-N 353.394 2.384 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)COc2ccccc2C)cc1 9570499 MBQZQKCFCVBQMJ-UHFFFAOYSA-N 367.409 2.065 0 40 FEAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 17244032 AGISBIKRVJKILL-DTORHVGOSA-N 371.256 2.267 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2nccs2)CC1 2055713461 SIPZHXBSJLPKDU-UHFFFAOYSA-N 371.466 2.240 0 40 FEAB Cc1c(CN[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cnn1C 2055746025 BKBPRWDJRFPULU-HNNXBMFYSA-N 357.458 2.036 0 40 FEAB O=c1ccc(-c2cccc(F)c2)nn1C1CN(c2ncnc3cnccc23)C1 1775974675 ZDJFCWLVEWAYBR-UHFFFAOYSA-N 374.379 2.449 0 40 FEAB Cn1cc(C(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)cn1 1775970547 FKELLIKMPIEXSR-UHFFFAOYSA-N 363.421 2.121 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccc3ncsc3c1)C2 606440639 KNIHQCVAPRHPGZ-ZDUSSCGKSA-N 353.451 2.440 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)C1 8217108 OQUOYMULMHVULF-JKSUJKDBSA-N 358.438 2.150 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 31520304 SDGRSBDOYPWIFW-UHFFFAOYSA-N 367.409 2.489 0 40 FEAB Cc1ccc(N2C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)[C@@H]2C)cc1 32741577 SGDALRHMXSIVOO-AWEZNQCLSA-N 362.393 2.328 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1F 29999572 RXJACTRIHLPHSI-MRXNPFEDSA-N 352.369 2.178 0 40 FEAB C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 79723436 ZOFNTBOTVRRMFG-QGZVFWFLSA-N 372.513 2.483 0 40 FEAB CON(C)S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 52954967 QQDSQKDOGCVBII-LBPRGKRZSA-N 367.254 2.391 0 40 FEAB Cn1c(=O)c2ccccc2n2c(COc3ccc(-c4nnco4)cc3)nnc12 22041446 PJMLWGZNNCZSGP-UHFFFAOYSA-N 374.360 2.210 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1Cl 8034469 BDJFSOHZWYVZDR-UHFFFAOYSA-N 356.806 2.074 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)cc1 8313407 ZPXFCJMCFAOZAQ-UHFFFAOYSA-N 370.405 2.106 0 40 FEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](C(F)(F)F)C1 37477384 ONOJLFUMCJCEDO-ZJUUUORDSA-N 356.348 2.458 0 40 FEAB CC(C)[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccs1 9609558 BQVMPMXONFBWNZ-CQSZACIVSA-N 365.480 2.059 0 40 FEAB CC(=O)N1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 24710564 DITHADNYEXJQPK-UHFFFAOYSA-N 351.255 2.236 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)Cn1c(NCCO)nc2ccccc21 12506647 QOSQPBLRRFARHX-MRXNPFEDSA-N 355.438 2.497 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 107326515 VCWVYVKXMQWPFT-LMOYCYGVSA-N 369.421 2.021 0 40 FEAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 107346200 YDYPYIMOWSUMNZ-XQQFMLRXSA-N 352.406 2.073 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 35325495 OGTDBCWWJUYDKB-DNVCBOLYSA-N 351.450 2.084 0 40 FEAB O=C(O)CCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1737327 OQDPNIQCFQXYFQ-UHFFFAOYSA-N 367.357 2.430 0 40 FEAB biogenic COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)OCC(=O)c1ccc(OC)cc1 100399372 ONFSNMPRGOMFHO-UEFGCPDKSA-N 370.401 2.278 0 40 FEAB CCOC(=O)Cn1c(CCO)cs/c1=N\c1ccc(OCC)cc1 102443062 GKLBYGWZUIMYLX-ZCXUNETKSA-N 350.440 2.279 0 40 FEAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)O)ccc12 2102355 UMYSCSFQFDECSA-LBPRGKRZSA-N 361.394 2.494 0 40 FEAB biogenic FC(F)(F)c1nnc2ccc(NCc3ccc(-n4cccn4)nc3)nn12 12792389 XKGNXEVOGGQKPL-UHFFFAOYSA-N 360.303 2.336 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C[C@@H]2CCCCO2)CC1 36383950 JXYXIGAYWTVVDD-SFHVURJKSA-N 364.511 2.051 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@@H]1c1cn(C)nc1C 36621300 SGRFVIXPKCOOOH-IAOVAPTHSA-N 365.441 2.287 0 40 FEAB COC(=O)c1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c(OC)c1 11673614 VGQKFBHSAYTKCA-UHFFFAOYSA-N 368.389 2.497 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H]2C(=O)O)cc(OC)c1Br 36974140 OSTULXGHCSZSAO-SECBINFHSA-N 358.188 2.156 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)C2CC2)cc1 12905255 HANZTAPDCKHUNI-CYBMUJFWSA-N 366.483 2.205 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccc2c(c1)OCO2 4150511 INGGXEUHXVIQPW-HNNXBMFYSA-N 362.407 2.030 0 40 FEAB CCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n[nH]c1=O 4198234 JFIABEPXYJSFJE-UHFFFAOYSA-N 363.443 2.039 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc3ccccn23)C1 13691287 RWWKWYFOYWGQOW-AWEZNQCLSA-N 350.378 2.478 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)CSc1ccccc1 6086182 LIKOSHHQIORXJB-UHFFFAOYSA-N 350.421 2.121 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccccc1O)CC2 5111466 MTRXNIOBCRLQSP-UHFFFAOYSA-N 371.389 2.151 0 40 FEAB Cc1ccc(-c2noc(CCN3CCN(c4ncccn4)CC3)n2)cc1 65288298 NBBNIKWSULJLID-UHFFFAOYSA-N 350.426 2.200 0 40 FEAB CC(C)CCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5251875 JWRWGLSQTHDCLH-UHFFFAOYSA-N 365.437 2.400 0 40 FEAB Cc1cc(C)c2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)c2c1 5348674 ILFGGPSFSRDSJZ-UHFFFAOYSA-N 372.402 2.310 0 40 FEAB Cc1cc(C)c(C#N)c(N2CCCn3nc(C(=O)NC4CC4)cc3C2)n1 65455841 JNIKZYLZAWENLQ-UHFFFAOYSA-N 350.426 2.069 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CC)cc1Cl 408598152 XLXITERLJXSQSB-MNOVXSKESA-N 362.879 2.320 0 40 FEAB Cn1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cn1 71279405 FVTLJPLRIOZANU-UHFFFAOYSA-N 368.846 2.256 0 40 FEAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 6842827 XBAVTUNPFBAQGF-MRXNPFEDSA-N 362.821 2.094 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)cc(OC)c1 4934282 FRIAROQGXBSUIV-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15358923 ZEWGRKDPUZZXTD-GFCCVEGCSA-N 369.464 2.138 0 40 FEAB COc1cc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc(OC)c1OC 7117999 BBOBUSADOXFDPR-UHFFFAOYSA-N 374.437 2.267 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)c(CC)nc2ccccc12 7141447 GIPBTZCFVKPRTF-LBPRGKRZSA-N 357.410 2.497 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1C 7131264 QGJXGVXWYPNJCV-LBPRGKRZSA-N 363.414 2.148 0 40 FEAB O=C(COc1ccc(-c2nnco2)cc1)NC[C@H]1COc2ccccc2O1 7294306 DNAMDESEZISFJY-HNNXBMFYSA-N 367.361 2.072 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2Cl)c2ccccc2O1 7252840 QZLJOQOBMWESAR-MRXNPFEDSA-N 359.813 2.292 0 40 FEAB COc1ccc(-c2nc([C@@H]3CN(C(=O)C(C)(C)OC)CCO3)no2)cc1 96000889 JMBMMSITNAHOEX-AWEZNQCLSA-N 361.398 2.070 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)c(C)c1 28207598 SFIFMOXDFSJCRV-UHFFFAOYSA-N 356.488 2.319 0 40 FEAB COC(=O)C1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 7636740 XPIDGIIQSMBDIK-UHFFFAOYSA-N 360.332 2.409 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 7954295 MAMCPLJKOXBAMI-UHFFFAOYSA-N 362.426 2.192 0 40 FEAB C[C@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCc2ccccc21 97002175 HKWJHKUIBZHQJT-CQSZACIVSA-N 373.478 2.126 0 40 FEAB Cc1ccc2c(c1Br)[C@]1(NC(=O)c3cccnc3N1)C(=O)N2 95965578 FQJMYRSLLWEZOX-HNNXBMFYSA-N 359.183 2.113 0 40 FEAB COc1cccc(-c2nnn(CC(=O)NCc3cccc(Cl)c3)n2)c1 60384247 IUEDQRCGEACLLL-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB C[C@@H](NCCNC(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 75094261 NMJXZMZLPRGMEP-NQIIRXRSSA-N 367.493 2.468 0 40 FEAB COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc2c1OCO2 35324359 OGRKKMZWFITXAD-ZDUSSCGKSA-N 364.361 2.479 0 40 FEAB CCCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H]1CC(=O)N(C)C1=O 513945067 UOHVPTNUMKIDPP-OAHLLOKOSA-N 374.828 2.340 0 40 FEAB O=C(N[C@@H]1CN(C(=O)[C@@]23CCCC[C@H]2C3)C[C@H]1O)c1coc(C(F)F)c1 1025330831 BXPBPDOGZTXMLJ-NVAPZFDKSA-N 368.380 2.099 0 40 FEAB C[C@H](c1cccc(S(N)(=O)=O)c1)n1c(=S)[nH]c2ccccc2c1=O 39985769 NZRKUYMXYBLCES-SNVBAGLBSA-N 361.448 2.316 0 40 FEAB O=C(OC1CN(c2nc3c(Cl)cccc3s2)C1)c1ccc(O)nn1 77101426 AYFDFBUHHCNCFT-UHFFFAOYSA-N 362.798 2.491 0 40 FEAB CN1CCN(c2ncccc2C(=O)CCCNC(=O)OC(C)(C)C)CC1 72216566 QOSDUURFUBPQJP-UHFFFAOYSA-N 362.474 2.321 0 40 FEAB CCOc1ccccc1NC(=O)COc1cc(C(=O)O)cc(C(=O)O)c1 217728044 MFNMXXPVEUJLCX-UHFFFAOYSA-N 359.334 2.499 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226086751 HJCLGZMBLNXYEJ-ZDUSSCGKSA-N 356.488 2.305 0 40 FEAB CN(C)C1(CNC(=O)Cn2ncc(=O)c3ccccc32)CCCCCC1 48234427 OKUFMOUDYPRHGI-UHFFFAOYSA-N 356.470 2.167 0 40 FEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC(C)C)s2)c1 225724750 VCQXGFPMBXGEGV-UHFFFAOYSA-N 368.484 2.423 0 40 FEAB Cc1nc(CN2CCC3(CCN(Cc4cnn(C)c4)CC3)C2=O)cs1 96157852 WZMYSZOWFUMTJW-UHFFFAOYSA-N 359.499 2.200 0 40 FEAB O=C(C1CCSCC1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108205 QKDOJPICEOHKNJ-DLBZAZTESA-N 350.484 2.082 0 40 FEAB Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)c1ccco1)CC2 96187727 AMFTZGHRVSZVSN-MRXNPFEDSA-N 352.394 2.365 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247944159 QJTFOSXNKMYYRM-HNNXBMFYSA-N 364.873 2.293 0 40 FEAB CNC(=O)CN1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257231645 GHPSQPHJPLOEDD-MRXNPFEDSA-N 368.485 2.466 0 40 FEAB Cc1nc([C@@]2(C)CCCN(Cc3cccnc3)C2)nc2c1CC(=O)N2C 257315969 VDNWTPFWRGZJRG-FQEVSTJZSA-N 351.454 2.253 0 40 FEAB Nc1nccnc1[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257308881 TYPHFBFKUXCYMV-KRWDZBQOSA-N 352.438 2.080 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260903970 ZCCOTIOUZSLDJE-ZIAGYGMSSA-N 356.488 2.401 0 40 FEAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccc(F)c1 85467685 RFZWIQYCBXQVIF-KRWDZBQOSA-N 359.376 2.331 0 40 FEAB O=C1CC[C@H](CCNC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)N1 606443195 ZOASXKNLXIJIEV-SNVBAGLBSA-N 355.316 2.465 0 40 FEAB COc1ccccc1N1CC[C@@H](CN2C(=O)N3C4CCC3(CC4)C2=O)C1 630971920 JLIFYCPIMROWFL-ZUIJCZDSSA-N 355.438 2.481 0 40 FEAB CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCC(=O)N4C)no2)cc1 1615593023 XHRVELAAGXHWIJ-UHFFFAOYSA-N 369.421 2.325 0 40 FEAB C[C@@H]1C(=O)N(C)CN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 646125158 GCNRZNRREDGSSV-SECBINFHSA-N 366.393 2.147 0 40 FEAB C[C@H]1CN(C(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C[C@@H](C)O1 660852855 JQCAAKVQRLKSEU-IYBDPMFKSA-N 370.497 2.453 0 40 FEAB Cn1ccc([C@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 390830718 MVOREEDCGNMDAX-INIZCTEOSA-N 356.426 2.053 0 40 FEAB CCN1CC[C@]2(CN(C(=O)Cc3ccccc3F)CC(F)(F)C2)C1=O 585093225 JXWNLVGEUUQFBU-KRWDZBQOSA-N 354.372 2.474 0 40 FEAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 585101327 YPPVANOCPZOUTH-UHFFFAOYSA-N 359.401 2.246 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2C)Cc2ccnn21 585112927 YUPCCEINOWSZDY-GOSISDBHSA-N 362.499 2.078 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)O)c2ccccc2F)C1 678984439 BRAHRFUQPJPTAC-DOMZBBRYSA-N 364.417 2.352 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)c1 85468256 ICSPFYIPSWZGPG-SFHVURJKSA-N 359.514 2.248 0 40 FEAB COc1cccc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1 301171057 KEXYKOBEOMZKGF-UHFFFAOYSA-N 350.426 2.337 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)Cc1c(C)nn(C)c1C 39536840 INVTYXDFAXUGGR-UHFFFAOYSA-N 358.442 2.075 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1F 5047182 SSKBXDIATKDLOU-UHFFFAOYSA-N 358.402 2.232 0 40 FEAB CCOC(=O)c1n[nH]cc1CN1CCC(O)(c2ccccc2OC)CC1 12147635 XILUISYVCRXPAZ-UHFFFAOYSA-N 359.426 2.079 0 40 FEAB Cc1cnc2c(C(=O)NCCCc3nc4cc(F)ccc4[nH]3)cnn2c1 19239329 NVGBJVSRGICVIC-UHFFFAOYSA-N 352.373 2.416 0 40 FEAB Cc1nc(C)n(CC(=O)N2CCC(c3nc(C)n4ccsc34)CC2)n1 19285710 ZJRZQZGSSCYEPV-UHFFFAOYSA-N 358.471 2.319 0 40 FEAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccc(F)c(F)c1)CC2 19292989 RRJNZOUGRHLOGF-UHFFFAOYSA-N 369.375 2.106 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCc2ccccn2)n1 19457414 LAVMHJPUSFMFNT-CYBMUJFWSA-N 372.860 2.497 0 40 FEAB Cc1cc(N2CCC(CNS(=O)(=O)CCC(F)(F)F)CC2)ccn1 239578938 DBLUBCGUAJERFU-UHFFFAOYSA-N 365.421 2.478 0 40 FEAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)N1CCCCCC1 13266780 SEKJLKZBDXTLHS-UHFFFAOYSA-N 354.410 2.242 0 40 FEAB Nc1cccc([C@@H]2CN(Cc3ccccc3)C[C@]23COCCC(=O)N3)c1 19372638 HAGOUKIGOHLZBY-FPOVZHCZSA-N 351.450 2.144 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)no1 1888843956 HNVFOQOLBJZDHG-PHIMTYICSA-N 367.331 2.000 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cccnc2O)C3)nc1 1888866479 PDQMENPFSAVROF-IFXJQAMLSA-N 354.410 2.207 0 40 FEAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)cc1F 1888941660 WQZBDMANVBCKAT-QGZVFWFLSA-N 355.369 2.483 0 40 FEAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccc(Cl)cn3)[C@@H]2CN1 2037984387 ZKLFHHJFLLOKNJ-ZHALLVOQSA-N 357.841 2.218 0 40 FEAB O=C1CC[C@H](C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)N1 2086968297 XWWCFYFVHJTEBE-GOSISDBHSA-N 364.449 2.492 0 40 FEAB COc1cc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)on1 1565550887 HFTWEWRHBQMLBN-LJQANCHMSA-N 355.394 2.343 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 6758034 IZJRAAHPSXXDCK-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2cccc(F)c2)CN1c1ccc(F)cc1 9036445 JBRSOGXRTHBOTF-GFCCVEGCSA-N 366.389 2.296 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(c2ccc(F)cc2)CC1 11988640 PDYVUPLKRGJUMB-UHFFFAOYSA-N 370.380 2.019 0 40 FEAB CN(C)CCN1CC[C@@]2(COCCN(Cc3ccc(F)c(F)c3)C2)C1 2055772970 DNAKYMRENWSGQJ-LJQANCHMSA-N 353.457 2.051 0 40 FEAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2ccc(F)c(F)c2)CC3)C1 2055730106 AXDIGGZJHKEYFH-ZIAGYGMSSA-N 363.408 2.167 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@@H](Nc1ncc(F)cn1)CC2 2055745715 WMAHCNJFYBSUDV-NSHDSACASA-N 357.345 2.096 0 40 FEAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 21756774 UCDKPJRHHVAOIY-UHFFFAOYSA-N 360.435 2.413 0 40 FEAB COCc1cn([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C2)nn1 585149572 AKAMVDDMHYLGJT-HNNXBMFYSA-N 370.388 2.041 0 40 FEAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc(Br)o1 575607395 NWCCSFJIMWVSDQ-UHFFFAOYSA-N 357.233 2.292 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 7355054 LENHCMUPVXWWNJ-MRXNPFEDSA-N 351.878 2.066 0 40 FEAB CCOC(=O)c1cc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)n[nH]1 21096495 TVVZCQAKKXKEKL-UHFFFAOYSA-N 361.423 2.064 0 40 FEAB O=C(O[C@@H]1CCCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 32776937 JRODCBOMXAEVIV-TZMCWYRMSA-N 371.480 2.204 0 40 FEAB COc1cc(C(=O)NCCc2nnc3n2CCCCC3)cc(OC)c1OC 32876300 AIMBOEJJFBMVEM-UHFFFAOYSA-N 374.441 2.003 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(OCC)cc2)C1 102402852 UWOQFBPMANMXKP-CVEARBPZSA-N 351.443 2.100 0 40 FEAB COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 816835 GJROQTJARQNPLL-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 846858 ZMYXXEWSYDZXHU-GFCCVEGCSA-N 366.373 2.487 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1 32916022 HPKDNMRXNYTSSR-CYBMUJFWSA-N 356.426 2.261 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1COc2ccccc2C1 32902376 VCBAJLXZOJWSLR-VQTJNVASSA-N 366.461 2.255 0 40 FEAB O=C(NC1CCC2(CC1)OCCO2)[C@H]1CCCCN1C(=O)c1ccccc1 79228259 YLQKKEKOKVLEDL-GOSISDBHSA-N 372.465 2.483 0 40 FEAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)NCCN(C)C 4847576 JDHJLGWWCHTRDK-MDZDMXLPSA-N 358.467 2.395 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1n[nH]c(=O)n1C1CC1 8212686 VCTSTLIXBVUEFZ-UHFFFAOYSA-N 364.427 2.003 0 40 FEAB CCCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)n[nH]c1=O 8707761 OYHQSQIWVWUBBG-LLVKDONJSA-N 352.485 2.499 0 40 FEAB Cc1ccc(-c2noc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 22703577 ZIOQOAAYZMJILM-UHFFFAOYSA-N 355.375 2.390 0 40 FEAB COc1ccccc1[C@H]1NC(N)=Nc2nc3cc4c(cc3n21)OCCCO4 9835539 RAIMZAQKINERHN-KRWDZBQOSA-N 365.393 2.303 0 40 FEAB Cn1cccc1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 24572889 ISYKJVFOVZYNQG-UHFFFAOYSA-N 352.360 2.444 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12544742 FJJSYDUPDQCZHQ-UHFFFAOYSA-N 372.443 2.315 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)N(C)C)C1=O 25331730 HNQCHDPVVMODHL-CZUORRHYSA-N 373.478 2.281 0 40 FEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F 35179471 CKRBCBLGJBGZOW-MRVPVSSYSA-N 350.209 2.352 0 40 FEAB CCN1C[C@H](CN(C)Cc2nnnn2-c2ccccc2)Oc2ccccc21 58289137 YAIPVTUULFULHS-KRWDZBQOSA-N 364.453 2.382 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 58162517 DNNLCYYZRZNIJO-UHFFFAOYSA-N 368.474 2.383 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1Cl 22246705 LSLZCCKSPOPJMW-AWEZNQCLSA-N 369.826 2.323 0 40 FEAB Cc1ncccc1C(=O)N1Cc2nc3cc(-c4ccccn4)nn3c(O)c2C1 100215695 YBDBSVNOICCVLX-UHFFFAOYSA-N 372.388 2.356 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 58341589 JURSYOMDPKBLQH-KSSFIOAISA-N 370.405 2.101 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cn(C)c3ccccc23)cc1 28002998 UEGUTZBKOGLRCC-UHFFFAOYSA-N 371.462 2.195 0 40 FEAB CCc1noc2ncc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc12 97140052 DIJLLTCBLTZQNT-CYBMUJFWSA-N 374.422 2.022 0 40 FEAB CCn1nnc2cc(C(=O)NCc3ccnc(N4CCCC4)c3)ccc21 29553175 JUPCFGRAPUEFPW-UHFFFAOYSA-N 350.426 2.376 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3434826 YNWWFQQWIBYEIO-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB CC[S@@](=O)c1ccccc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 12976771 VRMPEOUNQDAGPH-CPJLOUKISA-N 366.527 2.291 0 40 FEAB C[C@]1(C(=O)O)CCN(C(=O)COc2ccc(Br)cc2F)C1 62913201 HVUZBPPHHYTYIE-AWEZNQCLSA-N 360.179 2.290 0 40 FEAB CC[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1nnc(C(C)C)s1 8814432 MOWRAUNBXNSQDG-ZETCQYMHSA-N 353.477 2.125 0 40 FEAB COC(=O)c1ccc(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)cc1 9690338 UIINEWGYFXTEGE-UHFFFAOYSA-N 352.346 2.375 0 40 FEAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 39655607 HNSRKZJKTLAVDJ-INIZCTEOSA-N 354.362 2.061 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1cccc(OC)c1OC 71280974 AHJVKRJHYUCLPI-ZDUSSCGKSA-N 373.409 2.246 0 40 FEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(F)cc2)no1 6305831 YAVSVSZCEISIPQ-NSHDSACASA-N 351.403 2.499 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C 14228794 XSJGKZPHPUQYKY-QGZVFWFLSA-N 371.437 2.406 0 40 FEAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 6549471 AJLSCJHUCVILJM-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(C)=O 4813841 CGCTXYFTQRBIBT-UHFFFAOYSA-N 358.460 2.137 0 40 FEAB COC(=O)c1ccccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 15414427 CVDRJVYGJWXUHX-UHFFFAOYSA-N 356.422 2.353 0 40 FEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NC3CCCC3)cc2)C1=O 15843062 ZTUJVIVCFUMOIH-UHFFFAOYSA-N 350.440 2.062 0 40 FEAB O=C(NCc1ccccc1F)c1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1 70038951 FCWMCAJHMARTNE-UHFFFAOYSA-N 354.341 2.024 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 20013271 IDPNHUJMAUWIDQ-CQSZACIVSA-N 368.499 2.467 0 40 FEAB O=C(C1CC1)N1C[C@@H](c2nccs2)[C@]2(CCN(CC3CCC3)C2=O)C1 306133211 MFFRKIGWHUZPIO-KXBFYZLASA-N 359.495 2.498 0 40 FEAB O=C(CNc1cccc(Cl)c1)NN1C(=O)NC2(CCCCC2)C1=O 28658496 JPWZXHRMXCEJHG-UHFFFAOYSA-N 350.806 2.038 0 40 FEAB CCOc1ccc(CN2C(=O)[C@H](CCSC)NC2=S)cc1OC 30920787 HTQXFHLLPUNFAI-LBPRGKRZSA-N 354.497 2.432 0 40 FEAB Cc1cc(-c2cnc(NCCN3CCOCC3)nc2-c2ccncc2)on1 72342335 VJPHCSQIPUFKMS-UHFFFAOYSA-N 366.425 2.246 0 40 FEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCc1cccnc1 1565524703 TUMXAYMCEZOCMT-UHFFFAOYSA-N 365.433 2.293 0 40 FEAB COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCc3nc[nH]c3C2)cc1 1565524677 RSLGELJZCLIHGT-UHFFFAOYSA-N 351.410 2.244 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 217668146 DZCSPEGHAJYTKI-GFCCVEGCSA-N 358.460 2.156 0 40 FEAB CC[C@@H](C(=O)N1[C@@H](C(=O)O)COC12CCN(CC)CC2)c1ccccc1 71980168 ULUQYEAOMQILMU-IAGOWNOFSA-N 360.454 2.304 0 40 FEAB Cc1ccccc1CNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47362821 CRHUGWTUPGMJHR-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 44901666 QNGZHUIMYNMKNW-KBMXLJTQSA-N 353.397 2.378 0 40 FEAB CCOc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224229724 MCOMCPPQTHIUDZ-UHFFFAOYSA-N 371.441 2.342 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CCc2ccccc2)s1 224077876 HPBABRKIJJNKKH-LLVKDONJSA-N 368.484 2.186 0 40 FEAB Cc1nc(CN2CCN(c3ncc(C)c(-c4ccccc4F)n3)CC2)n[nH]1 572138388 RYHIVYNBDHUQFD-UHFFFAOYSA-N 367.432 2.340 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@@H]21 96043490 CXDJRCKPUNAUOB-BZUAXINKSA-N 358.467 2.086 0 40 FEAB Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 96199812 VOQQSFIIFACAIG-CQSZACIVSA-N 358.467 2.069 0 40 FEAB COc1cn(CC(=O)Nc2nc(-c3ccccn3)cs2)c(C)cc1=O 95480268 XXOPVDCDYMCUDZ-UHFFFAOYSA-N 356.407 2.323 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)o1 96237897 YXYFOPAWYDKSOL-FQEVSTJZSA-N 371.412 2.290 0 40 FEAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1ccc(F)cc1 252538995 NQDOCBIUPLRCOZ-HDJSIYSDSA-N 351.403 2.284 0 40 FEAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)COC2CCCC2)C3)nc1 253600525 QTDRIZXWLDGBKY-INIZCTEOSA-N 374.485 2.164 0 40 FEAB COc1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)O)sc1C)CCO2 608343152 MCGFQLQHZNBZDE-UHFFFAOYSA-N 369.420 2.351 0 40 FEAB C[C@@](CO)(NC(=O)c1ccnc2[nH]nnc12)c1cccc(C(F)(F)F)c1 616812306 FHGNMUNDUAWIJS-HNNXBMFYSA-N 365.315 2.009 0 40 FEAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681677138 IGLUHGRJHPDLBF-OAQYLSRUSA-N 373.416 2.062 0 40 FEAB CC(C)n1cc(C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@H](C(F)(F)F)C2)cn1 1775991145 HQTSXTOZLWZZPH-ZIAGYGMSSA-N 372.391 2.383 0 40 FEAB O=C(c1ccncc1F)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414917 QBZYZVOOKLSFNU-MRXNPFEDSA-N 366.389 2.362 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 585104680 KWWRJYUWHNYKKL-KRWDZBQOSA-N 368.499 2.209 0 40 FEAB C[C@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1cccc(S(N)(=O)=O)c1 665503307 HKWFFBRTOWREDY-GTNSWQLSSA-N 362.426 2.380 0 40 FEAB CN(C)C(=O)[C@]1(C)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585283217 LYWDLUSBLZDLNX-SESVDKBCSA-N 360.498 2.254 0 40 FEAB CC(=O)N1CCC[C@H](NC(=O)c2ccc(C)nn2)[C@@H]1Cc1ccccc1 585280685 NGQHITNWZCSCFH-HKUYNNGSSA-N 352.438 2.137 0 40 FEAB CCn1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)c(C2CC2)n1 585276808 QPIBZZZIWQBDOY-HXUWFJFHSA-N 355.438 2.436 0 40 FEAB O=C1C[C@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)C2CC2)C(=O)N1 85994077 RYOFJCPJGVROBY-KRWDZBQOSA-N 350.374 2.499 0 40 FEAB CC1CCN(C(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)CC1 12086837 KECNUPHEWIUTKQ-UHFFFAOYSA-N 372.465 2.329 0 40 FEAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 12157055 VBFQRMNRVSALIQ-DOTOQJQBSA-N 360.454 2.172 0 40 FEAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)s1 13569771 UDIDEKIWVALCJN-IYSWYEEDSA-N 370.283 2.471 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)n1 19236314 GWQONCQDUZHQCI-AWEZNQCLSA-N 353.470 2.268 0 40 FEAB Cn1cc(CN2CCC(c3nnc4n3CCNC4)CC2)c2cc(F)ccc21 19711173 LERRNBGZDDVTCS-UHFFFAOYSA-N 368.460 2.392 0 40 FEAB CCCOc1ccccc1-c1cc(C(=O)N2CCNC(=O)[C@H]2CC)[nH]n1 19715590 KEYZHQUQIMGHJY-MRXNPFEDSA-N 356.426 2.216 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)oc2ccccc12 19710669 ZMUIFUCRNKRRJD-HNNXBMFYSA-N 365.437 2.456 0 40 FEAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 6558177 LUXBXCMTMSSERZ-UHFFFAOYSA-N 357.410 2.208 0 40 FEAB O=C(N1CCOCC1)N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1888853462 DWJXTUISGSLQBJ-LBPRGKRZSA-N 359.348 2.253 0 40 FEAB CCc1ncnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1F 1776008312 CNNLCPQDANFHCN-UHFFFAOYSA-N 369.322 2.445 0 40 FEAB C[C@@H]1CN(c2ncnc3ncn(C)c23)CCN1Cc1ccc(F)cc1F 2086992601 ZCTCYRXSRFTOJJ-GFCCVEGCSA-N 358.396 2.352 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565547211 OSVUPKOKMNNYDX-HXUWFJFHSA-N 352.438 2.388 0 40 FEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)C1 12440625 ZHAYIWYHJQEYJQ-ZIAGYGMSSA-N 355.456 2.492 0 40 FEAB Cc1nc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2s1 13704635 YPBJGFMMEOCSLF-UHFFFAOYSA-N 353.469 2.215 0 40 FEAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907385 OPLMKCGMGXMPPW-SFHVURJKSA-N 369.465 2.267 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)OC)sc1Br 30288462 QKIVPFQDUMPZDB-UHFFFAOYSA-N 356.263 2.328 0 40 FEAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 51163239 NULBGXPEQYGZSM-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB Cn1cc(/C=C/C(=O)Nc2cc(Br)ccc2-n2cncn2)cn1 51987270 QUZUQHWRINRATB-GORDUTHDSA-N 373.214 2.415 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101958034 RNSAKRHYCKLORM-IMIFBBOLSA-N 374.466 2.187 0 40 FEAB CCN(Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S)C1CCCCC1 32781597 PJVKPZQLGHFIBF-CYBMUJFWSA-N 372.560 2.465 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 32744651 MSURSYXLVPPGIB-UHFFFAOYSA-N 361.486 2.087 0 40 FEAB CCCCn1c(=O)n(C)c(=O)c2cc3c(nc21)-c1cc(F)ccc1O[C@H]3O 2654132 WHLBQBNTPNLQME-GOSISDBHSA-N 371.368 2.085 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(F)(F)F 704253 PCYFTINBZFHCAS-UHFFFAOYSA-N 351.741 2.395 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 32904703 CZEVTKVYTBSDCX-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB O=C(O)[C@@H](Cc1ccc(C(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F 1563708 JDNZGDOIZNXHGJ-MRVPVSSYSA-N 357.206 2.106 0 40 FEAB COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccco1 4161501 YNYYEZARXCQMJN-UHFFFAOYSA-N 363.399 2.212 0 40 FEAB C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)[C@@H]1C 4476599 GICAROFGRONRGO-XGNBGGDFSA-N 357.454 2.395 0 40 FEAB Cc1ccc(-n2c(C)nnc2SCC(=O)NC(=O)NCC(C)C)cc1 4835920 DXRKWBBQOZQYKG-UHFFFAOYSA-N 361.471 2.458 0 40 FEAB O=C(NOCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 53134516 LVSCTUKBTMSPOV-UHFFFAOYSA-N 364.398 2.082 0 40 FEAB CCOC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 12391756 YAIIBDWZPDYANL-INIZCTEOSA-N 361.398 2.076 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)NC(C)C)ccc1N1CCCC1 10009836 PENWJSZHMPDAIZ-UHFFFAOYSA-N 353.488 2.113 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CNC(=O)COc2ccccc2)c1 8625268 BGTYBMAYDDUFOC-HNNXBMFYSA-N 370.405 2.060 0 40 FEAB O=C(NC1CC1)c1cc(SCC(=O)N2CCOCC2)nc2ccccc12 8771543 AMTITZZCAKQTRA-UHFFFAOYSA-N 371.462 2.078 0 40 FEAB O=C(Nc1ccc(-n2cccn2)nc1)Nc1cnn(C[C@H]2CCCO2)c1 54411479 VJQGNHHKXAIOOM-OAHLLOKOSA-N 353.386 2.287 0 40 FEAB CCCNC(=O)[C@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 12596881 CQAWHMZPAVYKQA-GOSISDBHSA-N 353.422 2.079 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 9752633 UTCBQWUOSZRQIL-GPCCPHFNSA-N 350.415 2.015 0 40 FEAB CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 56201280 ZQYFGDXKQPPWDI-KGLIPLIRSA-N 356.426 2.155 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)NCc1ccccc1Cl 35268833 RQCHVKUAYYAKCR-UHFFFAOYSA-N 350.875 2.235 0 40 FEAB O=S(=O)(NCCSc1nnnn1C1CCCCC1)c1ccccc1 48188560 CFOCIXMEWCQMJG-UHFFFAOYSA-N 367.500 2.249 0 40 FEAB C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1cccc(S(N)(=O)=O)c1 57898073 QIWIPQHTESJODP-CYBMUJFWSA-N 374.462 2.079 0 40 FEAB CN(C)c1cccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 58181404 JIPQDRGWOAVEKY-UHFFFAOYSA-N 353.344 2.250 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3376596 VPYWBXJATBWWND-UHFFFAOYSA-N 368.604 2.433 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)no1 58216632 QMDAQFNSOBWWJU-CYBMUJFWSA-N 352.435 2.301 0 40 FEAB CC(C)(C)c1nc(CN2CCN(C(=O)c3ncccc3O)CC2)cs1 171257075 AWCPFPUICLMLKI-UHFFFAOYSA-N 360.483 2.499 0 40 FEAB C[C@]12CC[C@H]3[C@@]4(CC[C@]5(O)C[C@H](O)CC[C@]35CO4)[C@@H]1CC[C@@H]2C(=O)O 25556039 MAUIYISYPHUCFP-OTDZKKNLSA-N 350.455 2.339 0 40 FEAB Cc1ccc([C@H]2CCCN2C(=O)NCCC(=O)N2CCOCC2)cc1C 58229646 NLRNPEZUZDPMKZ-GOSISDBHSA-N 359.470 2.399 0 40 FEAB Cc1ccccc1C(=O)NCCNC(=O)c1nc(-c2ccc(F)cc2)no1 21453309 KCMLXLYTDPDZRH-UHFFFAOYSA-N 368.368 2.344 0 40 FEAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCOCC1 27936185 MRFMMXSPGPGNJE-QMMMGPOBSA-N 370.169 2.393 0 40 FEAB CCN(CCCNC(=O)c1c(C)oc2nc[nH]c(=O)c12)c1ccccc1 28077035 VFQPUFWWSLGVHQ-UHFFFAOYSA-N 354.410 2.471 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 12805195 YEFKRIVHCRLYLM-UHFFFAOYSA-N 374.462 2.337 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 8844925 ZSMBJJICFHLOSY-HXUWFJFHSA-N 367.405 2.409 0 40 FEAB COC[C@@H](O)CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8879876 MFIPNGHTKNZBLK-ZDUSSCGKSA-N 373.405 2.130 0 40 FEAB biogenic C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 14246776 OXYNQBAQZVQZII-JTQLQIEISA-N 360.443 2.006 0 40 FEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 14230610 GCYVVHHJUCOOLG-LJQANCHMSA-N 371.462 2.308 0 40 FEAB CCOc1ccccc1-n1nnc(C(=O)NCc2ccc(F)cc2)c1N 8991247 GARGRBXGGBDWGP-UHFFFAOYSA-N 355.373 2.317 0 40 FEAB O=C(CSc1nc(Cl)nc2nc[nH]c12)Nc1ccc2c(c1)OCO2 8991889 NZPXRPXZPRCGMF-UHFFFAOYSA-N 363.786 2.466 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5559926 VHJMGFLVOHOPEQ-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB CN1C[C@]2(CCN(Cc3cccs3)C2)Oc2ccccc2S1(=O)=O 306136459 PUBRNZYJCKQKSN-KRWDZBQOSA-N 364.492 2.406 0 40 FEAB CCC[C@@H](C)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 14634404 OUMOKUMBWGFQQV-CQSZACIVSA-N 355.456 2.007 0 40 FEAB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)n2ncnc2N1 4987267 WCYJMJPDFSJWLV-HOCLYGCPSA-N 358.373 2.428 0 40 FEAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(C)(=O)=O)cc2c1 9187378 PBWFBIRYLUHSKL-UHFFFAOYSA-N 357.435 2.193 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccccc2OC)c1 7433998 INYPVKYRBLZIFY-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7737068 GZQZVJBJFVZGHB-MRXNPFEDSA-N 362.451 2.050 0 40 FEAB O=C(CN1CSCC1=O)Nc1nc(SCc2ccccc2)ns1 7735316 SZOBTCNVBXGCBM-UHFFFAOYSA-N 366.493 2.302 0 40 FEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)nc2)C1=O 69653198 FBXVZDKTMGQECA-SFHVURJKSA-N 372.812 2.323 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)c1nc(N2CCCC2)ncc1Cl 71800094 NVBJDLSUEAZGPC-UHFFFAOYSA-N 352.822 2.248 0 40 FEAB Cc1cc(CNS(=O)(=O)c2cc(Br)cnc2N)ccc1F 84090215 XGWXTAQEYDSGFU-UHFFFAOYSA-N 374.235 2.352 0 40 FEAB Cc1nc(CN2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)no1 95959657 FIJCMMNONKEENW-ZDUSSCGKSA-N 353.426 2.248 0 40 FEAB NC(=O)CN1CCC(N[C@H](c2cccnc2)c2cc3ccccc3o2)CC1 95996250 JBRQROBROSIFLL-OAQYLSRUSA-N 364.449 2.457 0 40 FEAB Cc1nc(COC[C@H]2CCOC23CN(C(=O)N2CCCC2)C3)cs1 306140594 UYKOWTQKIVWKDP-CQSZACIVSA-N 351.472 2.275 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CC)C2)cc1 408554559 CABRYPCMRZAFRN-CABCVRRESA-N 368.499 2.401 0 40 FEAB CC[C@@H](CCNS(=O)(=O)c1c(C)nn(C(F)F)c1C)n1cccn1 36614865 QARGZKRNQMNJSH-LBPRGKRZSA-N 361.418 2.411 0 40 FEAB O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@H]2CCOC[C@@H]2C1 1553251012 ZTHRFCBSBPKCPC-CVEARBPZSA-N 353.422 2.189 0 40 FEAB CCN1CCN(Cc2ccc(C(=O)O)cc2I)CC1 39951864 PWKDIXNXVGYHAA-UHFFFAOYSA-N 374.222 2.127 0 40 FEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218316627 CKMPGDVUBWNHCB-CABCVRRESA-N 368.451 2.008 0 40 FEAB Cc1c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)cnn1C(F)F 36614474 WAJWROARQYYFHF-UHFFFAOYSA-N 374.200 2.105 0 40 FEAB c1ccc(CCCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 158707379 MMAHETRFIDPJFP-UHFFFAOYSA-N 367.497 2.068 0 40 FEAB CC(C)c1cc(C(=O)N[C@@H](C)Cn2nc(-c3cccs3)oc2=O)on1 72324278 XVZIAMQIMDIBCD-JTQLQIEISA-N 362.411 2.495 0 40 FEAB Cc1cc(-c2cc3nc(C)c(C)c(NCCCN4CCOCC4)n3n2)no1 72396609 IUKFDZDWRNXFBD-UHFFFAOYSA-N 370.457 2.444 0 40 FEAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218608242 QMKUWWLTFYZCKQ-YESZJQIVSA-N 369.845 2.356 0 40 FEAB CN1CCc2nnc([C@@H]3CCCN(C(=O)CCC4CCCC4)C3)n2CC1 72370918 ANEGOUWNHPHVAD-QGZVFWFLSA-N 359.518 2.442 0 40 FEAB COCC(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 72378205 CGCZWIVCNPWMDJ-MRXNPFEDSA-N 355.442 2.433 0 40 FEAB Cc1nnc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)o1 49704505 LDKVIUINZDFACT-UHFFFAOYSA-N 354.332 2.355 0 40 FEAB CCC(CC)N1C[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CC1=O 567877995 YDLMAOPMJLFHNZ-JQHSSLGASA-N 372.465 2.350 0 40 FEAB COCc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 223669742 JCGQMQLMBOCLCD-UHFFFAOYSA-N 366.414 2.377 0 40 FEAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCC[C@@H](C(F)(F)F)C1 331902798 NSQYCNGOVAIYGT-GFCCVEGCSA-N 355.316 2.304 0 40 FEAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2)C1CC1 96208767 NBNFPDHQYVLZAJ-UTKZUKDTSA-N 351.450 2.209 0 40 FEAB FC(F)(F)c1cc(N2CCc3ncnc(NC4CC4)c3CC2)ncn1 96255473 ZSXXYLBYDSPTCQ-UHFFFAOYSA-N 350.348 2.465 0 40 FEAB O=C(c1cnccn1)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 96239586 TVPZQKQEISBSFQ-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CCCn2nnc(Cn3cccn3)c2C1 96259540 KTAMLIGHHLZONB-UHFFFAOYSA-N 356.817 2.222 0 40 FEAB CCN1C[C@@]2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2 97952823 NCKZCYKZJJOWNW-OAQYLSRUSA-N 370.497 2.485 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)on1 96107326 IWZOBQOZTRUMBL-APWZRJJASA-N 357.410 2.359 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257240195 HSMWQVIBCMCXJZ-INIZCTEOSA-N 351.410 2.454 0 40 FEAB CNC(=O)c1cc2n(n1)CC1(CCN(Cc3cc(C)sc3C)CC1)OC2 1775962213 ZLIDAFMUYGWHLW-UHFFFAOYSA-N 374.510 2.486 0 40 FEAB CN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)Cc1ccoc1 618445582 DQSSFGGRIIYIIO-UHFFFAOYSA-N 361.486 2.399 0 40 FEAB COc1cccc(CC(=O)N2CCC(c3nnc(N)o3)CC2)c1Cl 636144083 CCLRQNRMXUUZTH-UHFFFAOYSA-N 350.806 2.263 0 40 FEAB C=CC(=O)N[C@@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 685944914 IASUWIFJNIFUEG-SFHVURJKSA-N 354.406 2.477 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585277617 NPKNDNOXLORMFL-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB CC(C)(C)CC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585282874 ITHUOZSQNLKGRT-LJQANCHMSA-N 366.433 2.114 0 40 FEAB CNc1cnc(C(=O)N2CC[C@](COc3cccc(C)c3)(OC)C2)nc1 585276060 IWTCEGXDLGKOIG-IBGZPJMESA-N 356.426 2.137 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 57290128 RVRJBNWIZSADPH-INIZCTEOSA-N 358.486 2.356 0 40 FEAB Cc1nc2cc(C3CCN(C(=O)c4cnn(C)c4C)CC3)nn2c(O)c1C 12134045 XZUWUBJHXJUIGV-UHFFFAOYSA-N 368.441 2.113 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccc(Cl)cc2)c1=O 12146688 VMUFKJSVSIBJAQ-UHFFFAOYSA-N 358.785 2.055 0 40 FEAB COc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15327780 GEFXEAGVWGBNSZ-UHFFFAOYSA-N 374.462 2.425 0 40 FEAB COc1ccc(/C=C/C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1O 16031047 SMJCKIKJLQVRQB-BWVNKGDMSA-N 366.417 2.222 0 40 FEAB COc1c(C)cccc1C(=O)N1CCn2c(nnc2[C@H]2CCCN2C)C1 19705527 BJXURDLWLGTHSS-OAHLLOKOSA-N 355.442 2.018 0 40 FEAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c3c(cnc21)C(=O)CCC3 19962372 YYRRKVWDPMPIOH-UHFFFAOYSA-N 369.808 2.316 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nn1 1888856477 AREOBPRIYOLALZ-IYBDPMFKSA-N 351.454 2.378 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(c2nc(C)c(F)c(O)n2)CC1 1888879227 WHLGAIWBEVUSKU-UHFFFAOYSA-N 354.389 2.208 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 1565542614 RJNYQWFNVCZPJC-KNQAVFIVSA-N 364.445 2.428 0 40 FEAB O=C(NC(NC(=O)c1ccccc1O)c1ccccn1)c1ccccc1O 1441030 LURLHNQCNNZUKA-UHFFFAOYSA-N 363.373 2.351 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 4249215 IXKPRMKICLGYOM-LBPRGKRZSA-N 367.453 2.321 0 40 FEAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cccc(F)c3)n12 4250307 DPHWFSDALYRBNQ-UHFFFAOYSA-N 361.402 2.240 0 40 FEAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(CC3CCCCC3)CC2)[nH]1 2055713641 QENXUXBLSMNPNQ-UHFFFAOYSA-N 370.501 2.049 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)c2nccnc21 19404368 WMMNEQZUMOTMAT-MRXNPFEDSA-N 370.501 2.461 0 40 FEAB CCSc1nnc(NC(=O)Cn2c(=O)n(CC)c3ccccc32)s1 10410386 YNGSYIMGSXGYRQ-UHFFFAOYSA-N 363.468 2.425 0 40 FEAB CC1(C)CC(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC(C)(C)N1 20737028 FHGGLPMWGYHKKV-UHFFFAOYSA-N 369.465 2.484 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)NCCc1ccc2c(c1)OCO2 32824689 NDLGUSPLTKAIMD-UHFFFAOYSA-N 366.377 2.152 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc3ncccc23)cc1 32872087 QLCXCTYIQJSGQV-UHFFFAOYSA-N 372.402 2.118 0 40 FEAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 902277 WZBDRDUHFTVLMS-OAHLLOKOSA-N 365.499 2.142 0 40 FEAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@H]1CCOc2ccccc21 76874848 JPGHSNVKBWLNQX-SFHVURJKSA-N 365.433 2.369 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1COc2ccccc2C1 53044141 HZZVHCZJLZTPEZ-AWEZNQCLSA-N 354.431 2.245 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 6628208 JHBRBVVWEUGFOC-XNTDXEJSSA-N 353.378 2.160 0 40 FEAB CCOCCCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1 41659680 KTIKDKARZQYALC-UHFFFAOYSA-N 368.861 2.441 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 42385762 XMEAESVNXWXJBW-AEFFLSMTSA-N 363.477 2.439 0 40 FEAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23143124 PSZCDFJFQPTVJY-UHFFFAOYSA-N 364.511 2.348 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1C(=O)Cc1cccs1 55107681 ZKOVEIWFBIXPNU-OAHLLOKOSA-N 370.434 2.090 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)NCCCc1nc2ccccc2[nH]1 25066098 TURKYUOCWLUVMD-UHFFFAOYSA-N 359.474 2.442 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(O)cc2)CC1 57406114 HBOYFHCPZRIQRR-CQSZACIVSA-N 369.421 2.270 0 40 FEAB C[C@H]1CCCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 20493280 NTBZEHWGSWUQQR-XHDPSFHLSA-N 372.874 2.126 0 40 FEAB O=C(Cc1ccccc1Cl)NC[C@@H](O)COc1ccc2c(c1)OCO2 58179426 HYJOZWQIBIMBSO-CYBMUJFWSA-N 363.797 2.167 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCCOc1ccc(C(F)(F)F)cc1 58208779 XHTVNAGIGPZHOL-LLVKDONJSA-N 367.389 2.412 0 40 FEAB Cc1csc([C@](O)(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C(F)(F)F)n1 58413822 PIEWQOBYERQTLG-GIPNMCIBSA-N 352.378 2.227 0 40 FEAB CC(=O)NCC1CCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1 58901287 NKJBLWXQBRHZDY-UHFFFAOYSA-N 357.454 2.048 0 40 FEAB CC[C@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 29472979 FZKUYEVLYWVXIA-OAHLLOKOSA-N 352.500 2.358 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C2CC2)cc1 12766699 LTOWVOPXFVPHKY-UHFFFAOYSA-N 358.463 2.458 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)cc1F 48324301 TYPGBLNITXNLJS-UHFFFAOYSA-N 357.385 2.146 0 40 FEAB CCOC(=O)C(NC(=O)/C=C/c1c(F)cccc1Cl)C(=O)OCC 12898836 WJEWLKBQJOVVHL-CMDGGOBGSA-N 357.765 2.103 0 40 FEAB CC(C)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466734 ZWJCDWCAWYVJMK-UHFFFAOYSA-N 351.406 2.007 0 40 FEAB O=C1N[C@H](c2ccncc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 12935814 LOIPLWAYKJCXIZ-ZENOOKHLSA-N 365.311 2.186 0 40 FEAB Cc1c(C(=O)NC[C@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 13009157 PIBLCPPEPMRTAH-GFCCVEGCSA-N 361.467 2.402 0 40 FEAB CC(=O)c1c[nH]c(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1 18610712 WOUPPZQSVFXTOM-UHFFFAOYSA-N 352.354 2.085 0 40 FEAB CC(C)COC(=O)c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392648 VHAANDJQCUPQOM-ZDUSSCGKSA-N 353.440 2.263 0 40 FEAB COc1cc(CNCCN(C)C)ccc1Oc1nnnn1-c1ccccc1 20018594 IVZCHWUPOJZFNU-UHFFFAOYSA-N 368.441 2.114 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)NC(=O)NC(C)C)n2n1 14077442 OIRLDVCARAEXEY-SNVBAGLBSA-N 372.454 2.301 0 40 FEAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 65512445 ARIOWCIJPOXXEG-ZDUSSCGKSA-N 350.802 2.244 0 40 FEAB CSc1ncccc1C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 14125918 YHUNCQMYYITGLM-GFCCVEGCSA-N 366.464 2.226 0 40 FEAB O=C1COc2ccc(C3=Nn4c(nnc4-c4ccncc4)SC3)cc2N1 6650319 ZJPPQDMTKBKDBO-UHFFFAOYSA-N 364.390 2.029 0 40 FEAB COc1ccc(CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1F 9153945 RWVOKFPGISAGKT-UHFFFAOYSA-N 355.369 2.272 0 40 FEAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)c1ccc(=O)[nH]c1 6970778 CKHVWAOTSYSTNG-UHFFFAOYSA-N 370.415 2.259 0 40 FEAB COc1ccc(C(=O)CNC(=O)c2cn(C)c(=O)c3ccccc23)cc1 96115625 YOANQYHNQMNSOF-UHFFFAOYSA-N 350.374 2.160 0 40 FEAB biogenic C[C@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(S(C)(=O)=O)cc1 16108710 DJBDSOAFBQLKOP-NSHDSACASA-N 363.464 2.219 0 40 FEAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 16340812 UPELQJRQOKAKRC-SFHVURJKSA-N 372.490 2.011 0 40 FEAB CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 8195373 HHGZSGDJXTZTAP-CYBMUJFWSA-N 361.467 2.194 0 40 FEAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(C=O)CC3)nc2C1 20672657 QFAHGSPBYFYJOT-INIZCTEOSA-N 364.449 2.285 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2NC1=O 69491496 SHQWCLLUYIQPIV-DZGCQCFKSA-N 358.442 2.498 0 40 FEAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)NC(=O)NC1CC1 9739995 YJQBIGMRYSEUKG-UHFFFAOYSA-N 357.439 2.284 0 40 FEAB O=S(=O)(Cc1ccon1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 97598617 YHNBAKWJMJAIIF-CQSZACIVSA-N 350.396 2.113 0 40 FEAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CNC(=O)NC2CC2)cc1 95369213 XHVWOZBMINRXSK-ZDUSSCGKSA-N 358.442 2.101 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)NCCc1csc(-c2ccncc2)n1 31773250 VXJQMDKCOKLNLY-UHFFFAOYSA-N 363.468 2.066 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217430214 AOCVBGXVXLLLMI-DGCLKSJQSA-N 356.444 2.053 0 40 FEAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)CCc2ccccc2)CC1 72352123 NFIRRPYXVACIQP-UHFFFAOYSA-N 368.481 2.194 0 40 FEAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217434547 ASXFHWNAUWAFAU-LBPRGKRZSA-N 356.444 2.053 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)OCc1ccccc1 36047927 XDQFVHHQVOMXCL-IBGZPJMESA-N 368.433 2.383 0 40 FEAB O=c1nc(O)c2c(SCCc3cn[nH]c3)nc(C3CC3)nc2n1C1CC1 566901707 LGIGOQQNEJWCHK-UHFFFAOYSA-N 370.438 2.162 0 40 FEAB CNCC(=O)N1CCC(c2nccnc2Oc2ccc(OC)cc2)CC1 72363294 HHMYKCCHODJBJR-UHFFFAOYSA-N 356.426 2.203 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218457762 PGDFWAUAFWHIDW-SCTDSRPQSA-N 360.431 2.252 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1N1C(=O)CCC1=O 224267081 OJKHRODYUKWAMY-UHFFFAOYSA-N 374.418 2.174 0 40 FEAB Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 525983895 SJIDECNMCUVJLT-PWECECGKSA-N 360.483 2.212 0 40 FEAB Cc1ccc2cnn(CCC(=O)N3CCC[C@H](C(=O)NC4CC4)C3)c2c1 226745741 HNHBRIWZMJZCOE-INIZCTEOSA-N 354.454 2.252 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)Cc1ccccc1 223827722 AUTKUMQDGRPPIP-UHFFFAOYSA-N 370.540 2.240 0 40 FEAB CC(C)(C)c1nnc2ccc(NCc3cccc(N4CCC4=O)c3)nn12 578590292 UHLXLQOPFLEQLK-UHFFFAOYSA-N 350.426 2.771 0 40 FEAB CC(C)Nc1ncnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96255550 XGNASSGOQNGBEL-UHFFFAOYSA-N 354.410 2.267 0 40 FEAB c1cncc(CNc2ccnc([C@@H]3COCCN3C3CCOCC3)n2)c1 96218034 LDBMFOLJRSWTAU-KRWDZBQOSA-N 355.442 2.036 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247820577 CVOQFJFMBRUGGV-HNNXBMFYSA-N 371.462 2.402 0 40 FEAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(c1cc(N(C)C)ncn1)C2 248153310 YJGLJMJATJINHA-KRWDZBQOSA-N 369.469 2.201 0 40 FEAB Cn1cncc1-c1nccnc1CC1CCN(C(=O)c2cccnc2)CC1 257312274 UNDUSPDHHJYKES-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 257305131 SONXLUPXPCOXDR-BOLDSZDNSA-N 359.451 2.233 0 40 FEAB Cc1nc(Nc2ccc(N3CCCCC3)nc2)sc1S(N)(=O)=O 549198578 PCVKHNIZFBSMIJ-UHFFFAOYSA-N 353.473 2.228 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)s2)cs1 593662549 XYKYAYOSUOCATA-SWHJWPDWSA-N 374.534 2.074 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cn(C)nc2Br)c1 1644748500 LOZYRDKFOJZQKF-UHFFFAOYSA-N 365.187 2.265 0 40 FEAB CCOC1CC(C(=O)N[C@@H]2CNCC[C@@H]2c2ccc(OC)c(F)c2)C1 638413656 CMZYGKZYWCSHJM-OCUYMYNFSA-N 350.434 2.211 0 40 FEAB COC[C@]1(C(N)=O)CCCN1Cc1ccc(OCc2ccncc2)cc1 643763069 RNPPGKLUMUTURJ-FQEVSTJZSA-N 355.438 2.127 0 40 FEAB O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1cn(C2CCC2)nn1 649246488 HEFGCGHPCGNWOD-ZDUSSCGKSA-N 352.753 2.351 0 40 FEAB c1ccc(CC[C@]23CNC[C@@H]2CN(c2nnnn2-c2ccccc2)C3)cc1 1772710523 XCOKIWFRHUBGSB-WIYYLYMNSA-N 360.465 2.321 0 40 FEAB COc1ccc(CCCNS(=O)(=O)N2CCC[C@H](C)C2)cc1OC 58163290 DCQGNNCQOLDYFN-AWEZNQCLSA-N 356.488 2.203 0 40 FEAB CCOC[C@@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@H]1c1cnn(C)c1 585655554 WKPDUYCERXZWTJ-IRXDYDNUSA-N 358.490 2.068 0 40 FEAB CC(=O)c1cnc2c(C(=O)NCCN3CCc4ccccc43)cnn2c1C 12148416 XKCNRPORVHGHRW-UHFFFAOYSA-N 363.421 2.033 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3c(C)noc3C)CC1)O2 12225680 IUZYPMJPDQYRJN-UHFFFAOYSA-N 369.421 2.397 0 40 FEAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16637304 OIFYOTKTFPLBGE-LLVKDONJSA-N 362.879 2.274 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NC(C)(C)CN3CCCCC3)CC2=O)cc1 19084912 AEZGKIBBESIGBX-INIZCTEOSA-N 373.497 2.429 0 40 FEAB CCCn1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cn1 19526101 PBUJADVGHPUTJC-UHFFFAOYSA-N 364.453 2.039 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3C(=O)CCC3CCCC3)n2CC1 19710748 KFLQFZMCGCZCNV-KRWDZBQOSA-N 373.501 2.317 0 40 FEAB C(=C/c1ccccc1)\CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 1144059998 APXIHYQVLJIDLW-QPJJXVBHSA-N 365.481 2.149 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565543278 SIBLIUPIRSLWMZ-PMPSAXMXSA-N 352.381 2.402 0 40 FEAB O=C(C1CC(O)C1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1565555288 FAVHEEOPUZYZFN-UHFFFAOYSA-N 360.429 2.080 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)OCCO2 636661 RLNPLVKYHKIXGL-UHFFFAOYSA-N 354.391 2.409 0 40 FEAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@H]1CCCO1 4341439 IOMHPQPJPZJZHI-CQSZACIVSA-N 369.450 2.203 0 40 FEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(Cl)c1 4941302 KGUYYOKQPTVNNA-CQSZACIVSA-N 352.818 2.471 0 40 FEAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCC1 17178472 FGIVDUMGIDVIIG-IBGZPJMESA-N 373.497 2.015 0 40 FEAB O=C(COc1ccccc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965659 IPZZDPFEEWUTRO-UHFFFAOYSA-N 353.422 2.363 0 40 FEAB CCn1cc(C(=O)N2CC(Oc3nccs3)C2)c(=O)c2ccc(C)nc21 206920401 RKCSNCVLOSNTMR-UHFFFAOYSA-N 370.434 2.085 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575616766 JYSNWIGRICLTOL-OAHLLOKOSA-N 366.421 2.408 0 40 FEAB COc1ccc(CC(=O)NCc2nccnc2-c2cccnc2)cc1OC 585150427 MHUZATFAIDSDDH-UHFFFAOYSA-N 364.405 2.415 0 40 FEAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCO2 4135770 XJLLNFXMDUGCMG-GFCCVEGCSA-N 373.390 2.166 0 40 FEAB COC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(F)cc1F 40051101 ZRUUJIKKOIYICH-UHFFFAOYSA-N 374.299 2.230 0 40 FEAB CC(C)Cn1nnnc1S[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 30398629 ANPIXXYAZNIFHZ-HNNXBMFYSA-N 374.514 2.159 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 100568115 VMPLOLLWEOXXKB-FHWLQOOXSA-N 363.417 2.231 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 102147984 VPTZNCSWPYBZEA-BPUTZDHNSA-N 351.443 2.158 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)OCc3cc4ccccc4o3)cnc21 21483734 YPINASVNRRRNFA-UHFFFAOYSA-N 352.350 2.010 0 40 FEAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1 12094783 FSEVOOVTGYSLDG-DZGCQCFKSA-N 367.467 2.427 0 40 FEAB O=C(CCCCCCCC(=O)NC[C@H]1CCCO1)NC[C@@H]1CCCO1 18045296 PVUIBSVZAWEBBD-CALCHBBNSA-N 354.491 2.308 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cn2)n1 33046766 JDGIHHZYFIXGRG-UHFFFAOYSA-N 369.469 2.261 0 40 FEAB COC(=O)[C@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 4896085 XGYZDZNXCXHGBV-UGTAXJHQSA-N 366.461 2.481 0 40 FEAB OC[C@@H](O)[C@H](O)[C@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4962304 OORRNQJYAWSLHU-HYVNUMGLSA-N 357.233 2.200 0 40 FEAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccncc2)S(C)(=O)=O)c1 6044108 BVXADFPLOTZCSM-OAHLLOKOSA-N 361.467 2.169 0 40 FEAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7587635 QQQJSLJRXQWNIR-AWEZNQCLSA-N 373.478 2.327 0 40 FEAB COCCN1C[C@H](c2cc(O)n3ncc(-c4ccc(C)cc4)c3n2)CC1=O 100775606 FLRXKHSJTOBPST-OAHLLOKOSA-N 366.421 2.373 0 40 FEAB COCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O 2809822 ILJFFBSSBAHLLV-UHFFFAOYSA-N 368.433 2.369 0 40 FEAB NC(=O)[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 10044250 MGWLLEYTRGCRDF-ZDUSSCGKSA-N 358.341 2.210 0 40 FEAB Cc1csc2nc(COC(=O)c3ccc(-n4cncn4)cc3)cc(=O)n12 22892639 YLTUQTAXDXBZGH-UHFFFAOYSA-N 367.390 2.002 0 40 FEAB O=C(CN1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCc2ccccc21 22921856 VUXMOSZTSBFNRH-OAQYLSRUSA-N 364.493 2.393 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 22903545 HWLHRMYKJUCNAI-UHFFFAOYSA-N 365.388 2.442 0 40 FEAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCN(C)CC2)o1 22938376 ISMIVBOXQQPZHR-GOSISDBHSA-N 371.481 2.380 0 40 FEAB COC(=O)c1ccc([C@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533724 LPFXYMMIHHGRCK-HNNXBMFYSA-N 360.211 2.078 0 40 FEAB COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)NC(C)C 8475843 HRBNCRKSGOMXQK-UHFFFAOYSA-N 354.472 2.444 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 23819331 GJTDNIMJVLEKHY-UHFFFAOYSA-N 356.451 2.069 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24612407 CJTQZVHDDDGZEQ-UHFFFAOYSA-N 352.500 2.405 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 9926987 VOGBYYNDEMLRSI-CYBMUJFWSA-N 371.220 2.422 0 40 FEAB N=C(NCCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1 57752172 QEPHDZFMFSEWDD-UHFFFAOYSA-N 351.498 2.118 0 40 FEAB CN(C)C[C@H](CNC(=O)Nc1ccc(N(C)C)nc1)[C@H](O)c1ccccc1 48091791 CMMLMPAXAPOANN-QFBILLFUSA-N 371.485 2.181 0 40 FEAB COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 58365157 VIQNLKUNWHCSSN-KRWDZBQOSA-N 354.516 2.343 0 40 FEAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 58311714 GPPIDVXBVVFXNE-SNVBAGLBSA-N 355.232 2.095 0 40 FEAB CN(C)c1nc(N(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2)n1 2300450 QBOPHARTTCRNOV-UHFFFAOYSA-N 361.837 2.023 0 40 FEAB CC(=O)N[C@@H](C(=O)Nc1cccc(I)c1)C(C)C 12853455 DIOHLHBUQXOOAY-GFCCVEGCSA-N 360.195 2.390 0 40 FEAB CCOC(=O)c1cnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc1N 8787845 CGTJHTSXSNMJNE-VIFPVBQESA-N 371.422 2.325 0 40 FEAB Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)sc1Br 408502506 ZWMQMAZROYQVEH-YFKPBYRVSA-N 360.201 2.279 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4082238 MDFGDESDVKWBNI-NSTVUXKKSA-N 350.440 2.188 0 40 FEAB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NNc3ccccc3)C2=O)cc1 5119530 VNWHWDDXAXNHRC-FOWTUZBSSA-N 366.377 2.169 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2cccs2)c1 9698267 NALUSZHXVDWJLL-OAHLLOKOSA-N 371.462 2.334 0 40 FEAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 14137264 JTWFSEJUVGKONI-UHFFFAOYSA-N 368.842 2.388 0 40 FEAB CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505178 NRQZDSYGYWPCBS-MRXNPFEDSA-N 353.465 2.038 0 40 FEAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 4512450 SLBNNFUHASRBPU-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB CCc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(C)(=O)=O 6555917 OGFUZUZLPSXHCL-NUEKZKHPSA-N 350.484 2.320 0 40 FEAB Cc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(C=O)CC4)nc3C2)cc1 4777166 KNWNCFJQQJQHPS-QGZVFWFLSA-N 364.449 2.285 0 40 FEAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731862 CNYCGTIKDGYFFL-VIFPVBQESA-N 366.830 2.330 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc(-c2cccs2)no1 6975446 GIHMSNFALYQKPX-UHFFFAOYSA-N 368.374 2.321 0 40 FEAB COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 67340319 MGODNBLNAWJMCD-MHWRWJLKSA-N 361.375 2.316 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc(OC(F)F)cc1 7279896 ANNUQZZQFMIGQU-UHFFFAOYSA-N 373.363 2.300 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2ccsc2)c1C 9315105 HXGHNMAMXDFYDE-UHFFFAOYSA-N 364.423 2.295 0 40 FEAB COc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCOCC2)cc1 19897874 JRTPWKSIFIIJKS-HXUWFJFHSA-N 370.449 2.264 0 40 FEAB CC(C)[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 23773208 MARZHJXKYGHWSN-GOSISDBHSA-N 371.462 2.239 0 40 FEAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1S(N)(=O)=O 9741437 YZJZVJGEGPHHJT-UHFFFAOYSA-N 374.462 2.403 0 40 FEAB CN[C@H]1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)C1 97019461 MYUTZLNEURUYAE-HNNXBMFYSA-N 373.526 2.345 0 40 FEAB CC[C@](C)(NC(=O)c1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1)C(=O)O 95969988 UJRQVBPROAKQIK-KRWDZBQOSA-N 363.801 2.177 0 40 FEAB COc1ccc(CCNCC(=O)Nc2ccc3c(c2)OCO3)cc1OC 35311495 QVXZMSCVUSJATF-UHFFFAOYSA-N 358.394 2.203 0 40 FEAB COc1cccc(/C=C2/NC(=O)NC2=O)c1OCc1ccc(C(=O)O)cc1 33447998 ZOIREWVPLFLAKG-NTEUORMPSA-N 368.345 2.153 0 40 FEAB NC[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218600173 FZAWCYLHPHPMGY-IKGGRYGDSA-N 369.845 2.356 0 40 FEAB CCOc1ccccc1CNC(=O)c1snc(C(=O)N2CCCC2)c1N 62006791 APYKGHWFPFOUID-UHFFFAOYSA-N 374.466 2.290 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 72360350 IHXRQRPFUDGFPR-MRXNPFEDSA-N 350.430 2.389 0 40 FEAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 75031699 DLOZFFBEAYYLGQ-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 44904189 JRSDFISIEZPNDX-CQSZACIVSA-N 372.446 2.325 0 40 FEAB Cc1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)nn1-c1ccccc1 570035016 KVCSNVYWVHGEKM-YRNRMSPPSA-N 370.453 2.981 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2cc(C)ccc2C)c1 224043985 RCYXUOMQRPANBE-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB COCCn1ccc2c(NC(=O)CNC(=O)c3cccnc3)cccc21 95476700 YZLWYAAOUOMEEM-UHFFFAOYSA-N 352.394 2.051 0 40 FEAB Cc1cccc(NC[C@H]2CO[C@]3(COCCN(Cc4cnn(C)c4)C3)C2)c1 96100646 CNISFFCDPXAEIM-GHTZIAJQSA-N 370.497 2.448 0 40 FEAB COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C(C)=O)cc1 257316395 VFKHBTCOTIJMLX-QUCCMNQESA-N 360.454 2.466 0 40 FEAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 257274407 NKZFWABBTMMMKS-SFHVURJKSA-N 370.453 2.457 0 40 FEAB CNC(=O)c1cnn2c([C@@H]3CCCN3C(=O)c3cccs3)ccnc12 257247443 IZAWVVRCTQYGDR-LBPRGKRZSA-N 355.423 2.128 0 40 FEAB Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)no1 253477947 IHTNJMZXOVQJHW-INIZCTEOSA-N 364.442 2.047 0 40 FEAB CO[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 257342028 ZMUDNGSEWYTHHJ-CRAIPNDOSA-N 370.396 2.496 0 40 FEAB CCNC(=O)NC1CCN(C(=O)c2cccc(Br)c2)CC1 586097392 OLBCZLYGRZTPFX-UHFFFAOYSA-N 354.248 2.373 0 40 FEAB Cn1cc(-c2cncc(C(=O)N3CCC(c4ccnn4C)CC3)c2)cn1 606385587 IYWFNCVBTYZTGK-UHFFFAOYSA-N 350.426 2.235 0 40 FEAB Cc1noc(C)c1CSCC(=O)N1CCC[C@@H](c2nnc(O)o2)C1 619868309 PIYMZPLWZVALDV-LLVKDONJSA-N 352.416 2.019 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)n[nH]1 683510515 CTWLRGSTLLYKSJ-OAHLLOKOSA-N 365.437 2.420 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@H](Oc4ncccc4F)CCO3)C2)c1 575405314 YNOLSKJDZBCRIO-OAHLLOKOSA-N 357.385 2.377 0 40 FEAB CC(C)(C)CC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585282871 ITHUOZSQNLKGRT-IBGZPJMESA-N 366.433 2.114 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 585108386 DJMVGJWCQSHNNP-AZUAARDMSA-N 370.453 2.043 0 40 FEAB COCc1nc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)no1 513833645 GTQBESXBSAYCAG-SECBINFHSA-N 361.324 2.431 0 40 FEAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2cscn2)cc1 12231148 ZIBPBVBMSJGUMI-UHFFFAOYSA-N 367.434 2.232 0 40 FEAB C[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 12326612 HSRVVQUOOKUHQL-RDTXWAMCSA-N 352.500 2.164 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCc2ccncc2)n1 19457511 HBZTVDKCFMEXPP-GFCCVEGCSA-N 358.833 2.473 0 40 FEAB Cc1ccc(C(=O)NCCc2c(C)nn(C)c2C)cc1N1CCOCC1 19716625 YHRBUUNVKMDJOU-UHFFFAOYSA-N 356.470 2.154 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888864419 MPMFOUJIDNALPW-NVXWUHKLSA-N 353.422 2.407 0 40 FEAB Cc1csc(CNC(=O)CNC(=O)c2cccc(OC(F)F)c2)n1 21482782 MBORVHZUAZLOMQ-UHFFFAOYSA-N 355.366 2.099 0 40 FEAB O=C(CCCN1Cc2ccccc2C1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 2037821223 SZQHXGAVHSXBDU-PMACEKPBSA-N 368.481 2.204 0 40 FEAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)NCc1ccco1 4328727 XDUKTEONXLMEBQ-UHFFFAOYSA-N 364.408 2.385 0 40 FEAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 8987123 WEZBGHHJGLPSAD-LBPRGKRZSA-N 356.353 2.337 0 40 FEAB Cc1cccc2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13704679 ABPYLJCCTJQRAM-UHFFFAOYSA-N 353.469 2.215 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cc(C)on2)CC1 2055750554 CDYXYKSAZIOWFG-UHFFFAOYSA-N 358.442 2.184 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccnc(F)c2)CC1 2055738894 YKTNDWXXFXWNHC-UHFFFAOYSA-N 374.391 2.193 0 40 FEAB Cc1nc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)c2ccncc2n1 2086861066 CPJYAZFOYPUYQZ-CQSZACIVSA-N 357.483 2.125 0 40 FEAB O=C(Cc1noc2ccccc12)N1CC(c2nc(-c3ccncc3)no2)C1 49481691 OYZCOQLRRSZLPY-UHFFFAOYSA-N 361.361 2.441 0 40 FEAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cc(-c2ccc(F)cc2)c[nH]1 575619199 IONILNDHNMVHAK-UHFFFAOYSA-N 366.396 2.296 0 40 FEAB Cc1cnn(-c2cccc(N3CCN(c4ncnc5cnccc45)CC3)n2)c1 2298094961 KBYQIWSKJNZYLI-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB CSc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 40023392 UTLUXRWUTCDANW-QGZVFWFLSA-N 355.463 2.259 0 40 FEAB Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccccc3F)CC2)o1 40067094 UJPAEIJHKHGSIN-UHFFFAOYSA-N 373.428 2.144 0 40 FEAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccc1F 40268121 LDFMMTZAEDYPAZ-UHFFFAOYSA-N 356.401 2.288 0 40 FEAB O=C(NCCCc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 20736898 UQVRSXHRBYNEIN-UHFFFAOYSA-N 364.453 2.090 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NC[C@H]3COc4ccccc4C3)ccc2N1 32778247 WXJBZQPCNWTPHD-ZDUSSCGKSA-N 372.446 2.101 0 40 FEAB Cc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C(N)=O 32859755 HXPSIGSOYIFRTP-UHFFFAOYSA-N 367.327 2.222 0 40 FEAB Cn1nc2c(cc1=O)CN(Cc1csc(Cc3ccccc3)n1)CC2 78621782 GFEOXJMMIGRPTR-UHFFFAOYSA-N 352.463 2.386 0 40 FEAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 79111624 HQMBOAHKFWPBMH-UHFFFAOYSA-N 351.334 2.026 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCCN(C)S(C)(=O)=O 41333784 JIUNAHMHWWRCQL-AWEZNQCLSA-N 371.503 2.182 0 40 FEAB Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4158631 XFKQZJXIAASPRH-INIZCTEOSA-N 365.476 2.377 0 40 FEAB C[C@@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)NC(N)=O 22383933 HGOOZTABVKMIAQ-MRVPVSSYSA-N 367.814 2.133 0 40 FEAB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c(C)n1CC(F)(F)F 47422302 CZDHGICOUIKSIM-UHFFFAOYSA-N 363.361 2.092 0 40 FEAB COc1ccc(CNC(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 53733587 NOSJAZBVSOEOPH-LLVKDONJSA-N 370.409 2.434 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 42344545 XUUUASGBIHPWSP-GOSISDBHSA-N 367.490 2.175 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1C 23683864 VRRRKDPDLWNTEH-BJOHPYRUSA-N 369.468 2.021 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 23652737 PCESZMRMYPAYMT-XOBRGWDASA-N 373.453 2.348 0 40 FEAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCC1(c2ccccc2)CCC1 54995906 WJEHUAFGNMBHBB-HNNXBMFYSA-N 353.509 2.145 0 40 FEAB O=C(c1ccc(O)c(Cl)c1)N1CCN(C(=O)N2CCCCC2)CC1 24501066 PXTAMICJZMQWNF-UHFFFAOYSA-N 351.834 2.409 0 40 FEAB Cc1csc2nc(COC(=O)c3cccnc3N3CCCC3)cc(=O)n12 24755240 XUYKBTBAHSYTSJ-UHFFFAOYSA-N 370.434 2.417 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 12540073 DOLXFTORUVYAGT-GOSISDBHSA-N 373.416 2.220 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102082108 JOQQJANBTSRGTP-CGSCVGBMSA-N 366.417 2.075 0 40 FEAB C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 25572572 VGJXJRNHYVLETH-QAPCUYQASA-N 360.433 2.163 0 40 FEAB CCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 52857868 MTHIIHRGHLZMGN-UHFFFAOYSA-N 358.442 2.045 0 40 FEAB COCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314755 ZSIGRLDAIBQNSH-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CCN(CC)C(=O)CNC(=O)N(C)Cc1ccc(SC)c(OC)c1 58291226 QBQQPQRYTNFYGH-UHFFFAOYSA-N 353.488 2.427 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 306133247 MGRMYTMTVZARBT-IAGOWNOFSA-N 374.448 2.230 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 12824101 UHULGDJIHMBRAK-NSHDSACASA-N 352.387 2.318 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 12915299 RWVZUUGTXFEESH-CQSZACIVSA-N 360.435 2.127 0 40 FEAB Cc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 13117010 SRIAQVKSMSQBPA-USXIJHARSA-N 357.406 2.257 0 40 FEAB CCOCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 13944661 YMUGSCFQOBAGDN-QGZVFWFLSA-N 371.481 2.410 0 40 FEAB biogenic,in-vitro COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(OC)ccc1OC 14095984 OQKYEHFSXISRAB-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Cl)cc1F)c1cccc2c[nH]nc12 65591467 RTKMLBJNBPHHEB-UHFFFAOYSA-N 353.762 2.474 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2cccc(C(N)=O)c2)c1C 65565317 LNYADJQDTLTXBU-ZDUSSCGKSA-N 371.437 2.220 0 40 FEAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCOCC1 14167153 RSRPKYYWXFWJKP-CYBMUJFWSA-N 356.422 2.451 0 40 FEAB COc1ccccc1Nc1nnc(S[C@@H](C(C)=O)C(=O)N(C)C)s1 4883273 BUFHFBNKVLZRKL-LBPRGKRZSA-N 366.468 2.428 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2[nH]nc3ccccc23)c1 4824710 QMMILGDXQJOYAT-UHFFFAOYSA-N 355.350 2.376 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc3c(c2)OCO3)c1C 7641056 NAQRTYFUCVEICX-UHFFFAOYSA-N 358.394 2.462 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C[C@@H]1CCCO1 16045172 VGTRUCDIZSKTDK-AWEZNQCLSA-N 358.394 2.012 0 40 FEAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Cl)cc1Cl 9366664 TVEPQPPBCSUQBB-YFKPBYRVSA-N 359.242 2.462 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)OCc2cccc(F)c2F)cc1 16674710 ZNRDQJSXKHIEBO-UHFFFAOYSA-N 355.362 2.288 0 40 FEAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc2c(c1)OCCO2 8225971 RQOSKPBMXSPCMG-ZDUSSCGKSA-N 369.421 2.016 0 40 FEAB COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 8241893 YOVCEEOMAMIKHK-UHFFFAOYSA-N 371.462 2.442 0 40 FEAB O=S(=O)(c1ccc(CNCc2ccc(F)cc2)cc1)N1CCOCC1 17317374 VVLIPLDOPIZPHZ-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCCc2occc21 84005114 FGMLYMPRRMWHIR-MRXNPFEDSA-N 364.405 2.470 0 40 FEAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 95479431 IGCOJMZOBNFNNE-MOPGFXCFSA-N 366.417 2.276 0 40 FEAB O=C(O)c1cc(Br)cc(C(=O)O)c1I 307074215 AXKNIHOOTXODNH-UHFFFAOYSA-N 370.924 2.450 0 40 FEAB C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 95951802 UGUSZPPAWNAKPU-IRXDYDNUSA-N 366.465 2.105 0 40 FEAB C[C@H](C(=O)O)N(C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 89598255 HAWXVHDLUXCUJF-SSDOTTSWSA-N 363.727 2.239 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 20798844 SBRROHCUXMEHGV-GOSISDBHSA-N 371.387 2.419 0 40 FEAB O=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)[C@H]1CCCN1 35191228 YSTYTGVQJDNAKE-LJQANCHMSA-N 366.465 2.310 0 40 FEAB O=C(Nc1cc(Cl)ccc1O)[C@H]1COCC(=O)N1Cc1ccccc1 70641444 NBLGWKIMBZQKQT-OAHLLOKOSA-N 360.797 2.412 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CN1CC(c2nc(C3CC3)no2)C1 70636991 RQBWNPXBKPXRHZ-UHFFFAOYSA-N 370.409 2.162 0 40 FEAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccncc3)n2)CC1 72342341 DNZOBVCNDOREOY-UHFFFAOYSA-N 364.409 2.171 0 40 FEAB Cc1nc(-c2cncnc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)no1 72356075 AYYHCGVETLEZSX-CQSZACIVSA-N 350.382 2.250 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCCc3ccccc3)nc2c1 71327514 VDTXNYOFTLQBFO-UHFFFAOYSA-N 355.419 2.232 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71979969 LUAYVXMZEIYDFX-CYBMUJFWSA-N 373.236 2.341 0 40 FEAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2c(s1)CCC2 36744385 GDHIDCXKODURCM-UHFFFAOYSA-N 356.495 2.388 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218457662 PGDFWAUAFWHIDW-LMMKCTJWSA-N 360.431 2.252 0 40 FEAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCOCC4)cc(Cl)c1c23 35686201 LUWDMDOVYQXDAH-UHFFFAOYSA-N 366.826 2.104 0 40 FEAB Cc1cccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 222925129 HJFBRCURNFBGTB-UHFFFAOYSA-N 360.479 2.365 0 40 FEAB Cn1nnn(-c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)c1=O 77100099 ZWGFVEKKXGCJNM-UHFFFAOYSA-N 369.450 2.478 0 40 FEAB O=C(c1ccncc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96049566 JMWYVRIWSYEZLF-FQEVSTJZSA-N 352.438 2.236 0 40 FEAB O=C(C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCC1 247863253 NLEUGXYPQLEFLU-IBGZPJMESA-N 354.454 2.079 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242400313 AUAADPZMOFNVLH-ZHALLVOQSA-N 359.447 2.218 0 40 FEAB COCC(=O)N1CC[C@H](c2cc(-c3ccc(C(=O)O)cc3)nc(C)n2)C1 257344502 ZXPWDRHFLGPRQL-HNNXBMFYSA-N 355.394 2.113 0 40 FEAB Cc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)o1 257236392 HBYWIKIMXTYUFC-KBPBESRZSA-N 358.442 2.256 0 40 FEAB CCCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCCC1=O 85467601 BUWAMWKZGCMNAZ-MRXNPFEDSA-N 356.463 2.079 0 40 FEAB CCn1ncc(C)c1NC(=O)c1nnn(Cc2ccc(OC)cc2)c1C 618445312 PLIGSIBMHAZYTD-UHFFFAOYSA-N 354.414 2.421 0 40 FEAB O=C(Cc1cccs1)N1CCC(n2nnc3ccsc3c2=O)CC1 390830195 JJYGESCMVJEYCY-UHFFFAOYSA-N 360.464 2.321 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2cnccn2)C3)cs1 575405706 UISILMGFNBEMJJ-CYBMUJFWSA-N 362.480 2.158 0 40 FEAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CC[C@H](O)C1)C2 585104801 SXCSDAYVAQCTNP-RBUKOAKNSA-N 372.509 2.327 0 40 FEAB CCNC(=O)N1CC[C@H](NC(=O)c2cnccc2Oc2ccccc2)C1 548762685 OMTMXLNLOJSAOK-AWEZNQCLSA-N 354.410 2.408 0 40 FEAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1 5604091 MVLCNZSMGNNLEW-DNVCBOLYSA-N 354.406 2.193 0 40 FEAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3nccc4ccccc34)C[C@H]21 12120042 JSQGTDNBVLFUEQ-PBHICJAKSA-N 360.417 2.429 0 40 FEAB Cc1nc2ccccc2c2nn(CC(=O)N(C)C3CCCCC3)c(=O)n12 12144976 AMWRLVCYWIVSSV-UHFFFAOYSA-N 353.426 2.144 0 40 FEAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 12157047 VBFQRMNRVSALIQ-RDJZCZTQSA-N 360.454 2.172 0 40 FEAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@H]2CCCO2)CC1 13266641 QUIFKQIQXWPHLP-QGZVFWFLSA-N 371.412 2.358 0 40 FEAB Cn1cc(-c2cc(-c3cnn(C)c3)n(CC(=O)NC3CCCCC3)n2)cn1 17075448 JVBLKRWCCXUJTA-UHFFFAOYSA-N 367.457 2.133 0 40 FEAB Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 19291852 JMNUDEOPEHYXLI-UHFFFAOYSA-N 358.379 2.012 0 40 FEAB Cc1nn(C[C@@H](C)C(=O)N2CCN(CCOC(C)C)CC2)c(C)c1Cl 19578159 FYSLZKNIQDMOMT-CQSZACIVSA-N 370.925 2.359 0 40 FEAB Cc1nc(CN(C)C(=O)c2cccnc2)nc2c1CCC(=O)N2CC1CC1 19695708 VDXUURGZUNIEET-UHFFFAOYSA-N 365.437 2.141 0 40 FEAB COc1cccc(-c2cc(C(=O)N3CC[C@H]4NC(=O)CCC[C@H]43)no2)c1 19713265 KDSLJXLRMOOEGD-GDBMZVCRSA-N 355.394 2.233 0 40 FEAB CC(C)(C)S(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1 16844631 GYKACCZSDBBRAA-UHFFFAOYSA-N 374.510 2.371 0 40 FEAB Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)NCC(F)(F)F)nn2)n1 11140651 VDQIQRJMDSRQTD-JTQLQIEISA-N 359.377 2.438 0 40 FEAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1ccc2c(c1)OCO2 1889223386 GNARACRTKLBTHP-NSHDSACASA-N 374.343 2.476 0 40 FEAB C[C@H](NC(=O)CN1CCN(C(=O)C2CC2)CC1)c1cc2ccccc2o1 37189584 SVOQMCGMVOZKGU-AWEZNQCLSA-N 355.438 2.164 0 40 FEAB O=C(CCn1cccn1)N1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056224805 WLLXCDRVMXKXAC-IYBDPMFKSA-N 357.433 2.182 0 40 FEAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1 4585647 CWOXCSCZJVKCBH-UHFFFAOYSA-N 357.391 2.321 0 40 FEAB CC(C)(C)OC(=O)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775969980 VPZOTURAMDOZPW-UHFFFAOYSA-N 359.430 2.076 0 40 FEAB O=S(=O)(CCOc1ccccc1)NCCn1cc(-c2ccco2)cn1 575614670 AKFWIJZJSUSICU-UHFFFAOYSA-N 361.423 2.142 0 40 FEAB CNC(=S)N1CCn2cccc2[C@H]1c1cc(OC)c(OC)c(OC)c1 4088212 IGFBWFFTNDLKNQ-MRXNPFEDSA-N 361.467 2.423 0 40 FEAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)N2CCCCCC2)c(C)c1 40039895 MKJOWFXEVNJEBC-UHFFFAOYSA-N 353.488 2.261 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1 40123023 XAYFHMBAFKTHAN-UHFFFAOYSA-N 372.406 2.311 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 31242025 AIYLUOUMMYDEDV-GOEBONIOSA-N 370.405 2.258 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)o1 51097669 UDQGWSCRIKPSJQ-YOEHRIQHSA-N 361.486 2.477 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 32753713 BIERMYQHVPZIBB-KBPBESRZSA-N 357.410 2.067 0 40 FEAB C[C@H](C(=O)NCc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102240371 BWMBTWWPGWJEGY-AGIUHOORSA-N 369.446 2.252 0 40 FEAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)NC(N)=O)s1 2619329 FRXYLAFOEWYDKD-MRVPVSSYSA-N 367.456 2.356 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(C(=O)O)cc1 706198 NJPVMBBCKXQKSS-UHFFFAOYSA-N 352.346 2.400 0 40 FEAB CC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)s1 1365804 ZVOPVKHESUVRGB-UHFFFAOYSA-N 351.453 2.399 0 40 FEAB COc1ccccc1OCCNC(=O)CC1(Cn2cnnn2)CCCCC1 79476033 XCRXDYBNFWKJGQ-UHFFFAOYSA-N 373.457 2.218 0 40 FEAB Cc1ccccc1Nc1nc(NCCN2CCOCC2)nc2c1cnn2C 21873555 KIAIGXXPMDYVCD-UHFFFAOYSA-N 367.457 2.159 0 40 FEAB CCn1cc(CN(C)C(=O)c2c(Br)cnn2CC)c(C)n1 2777946 RRWOFEVHKFUFJV-UHFFFAOYSA-N 354.252 2.463 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4187965 OOFARBRHWMUVAB-NEPXVJNWSA-N 354.450 2.290 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCCC1 4935599 XJWANNHHDBSPHS-UHFFFAOYSA-N 359.451 2.105 0 40 FEAB C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCC(Cc2ccccc2)CC1 103286297 QREJJDSJYYHDCZ-APWZRJJASA-N 357.498 2.054 0 40 FEAB O=C(CCC(=O)OCCc1ccccc1)NC(=S)NCc1ccco1 12137508 FYOBBYZGOHSKSG-UHFFFAOYSA-N 360.435 2.336 0 40 FEAB O=C(Nc1cccc(O)c1)c1nc(-n2cnnc2)ccc1Br 21721159 TZGDFCUJKPFDOS-UHFFFAOYSA-N 360.171 2.383 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc(Cl)c1 101916674 NOYPKTFHVOEILH-HGDXVPPDSA-N 356.809 2.332 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1F)c1nccn1C 29087888 ONGKMDHUSCKBBC-SFHVURJKSA-N 355.417 2.358 0 40 FEAB COc1ccc(CCN2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1OC 2941329 YWQHDCHKIJBYOF-OAHLLOKOSA-N 372.421 2.004 0 40 FEAB Cn1nc2c(c1NC(=O)Cn1nc(-c3ccccc3)ccc1=O)CSC2 61718466 DRNUJCLVHFNTIW-UHFFFAOYSA-N 367.434 2.029 0 40 FEAB CC(C)CN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O 8186700 BBZDFYQLYLNSBZ-UHFFFAOYSA-N 362.773 2.337 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)c1cc(S(N)(=O)=O)ccc1OC 58325133 IVTADGRZHLFYGV-UHFFFAOYSA-N 366.414 2.144 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 55555320 LQIVUHJOXWJWSW-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35301291 PHMVSNAYUYVIRB-KRWDZBQOSA-N 351.450 2.149 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)N(C[C@H]3CCOC3)C3CC3)cn2)C[C@@H](C)O1 108068780 XGKGCJPYYRVVNG-OWCLPIDISA-N 359.470 2.336 0 40 FEAB Cc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 10031811 MLSKJCNGXKSSJA-UHFFFAOYSA-N 352.390 2.353 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 10024511 GAPBBUARILFPFI-LJQANCHMSA-N 361.442 2.108 0 40 FEAB CN(C)c1cccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 58201562 UPDNXZCSSWQESB-UHFFFAOYSA-N 355.442 2.260 0 40 FEAB CCOC(=O)C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 2126368 FPHLUALPNQTZBM-UHFFFAOYSA-N 369.465 2.328 0 40 FEAB biogenic Cc1ccccc1CN1CCN(C(=O)c2cnc3sccn3c2=O)CC1 28233255 ACNBHJLZLVOJNJ-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB NC(=O)Cc1csc(NC(=O)CCc2ncc(-c3ccccc3)o2)n1 11000406 NOXVGEKDEMIBPD-UHFFFAOYSA-N 356.407 2.397 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 3544355 BCUVFVTZKHVYAD-UHFFFAOYSA-N 367.199 2.079 0 40 FEAB Cc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(Br)c1 8327004 GEVGMXLPANALAE-UHFFFAOYSA-N 355.232 2.335 0 40 FEAB CCN1CCN(c2ncc3c(=O)n(CCc4ccccc4)ccc3n2)CC1 39404018 ALLUJXFVAYPCEZ-UHFFFAOYSA-N 363.465 2.176 0 40 FEAB COCCn1cnnc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 39983311 QGCSZYXLHZDPAS-UHFFFAOYSA-N 351.819 2.107 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 5348482 VCHIEKONPXTXBN-OGPXJPENSA-N 367.449 2.020 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(F)cc3)C2=O)cc1 14123567 OJMGNKOOORIUIS-OXJNMPFZSA-N 372.396 2.341 0 40 FEAB CN(CCCC(=O)NCc1ccccc1)S(=O)(=O)c1cccs1 14204797 BOKJYGLQYGZYSZ-UHFFFAOYSA-N 352.481 2.465 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)[C@H](O)c2ccc(O)cc2)c1 110542539 LHMBBLYSXFOQBR-VIZZQPHQSA-N 359.422 2.046 0 40 FEAB COc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1OC 4603448 IAHJCSBQILRONF-KRWDZBQOSA-N 362.470 2.211 0 40 FEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1nc2ccccc2c(=O)[nH]1 15351130 NJCJBJMXOVXQDA-LBPRGKRZSA-N 361.405 2.353 0 40 FEAB COc1ccccc1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 7034852 FBNCJYADIVCHTG-UHFFFAOYSA-N 357.362 2.191 0 40 FEAB CCNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 7246569 WSVBDHWAFHWNSR-UHFFFAOYSA-N 352.441 2.472 0 40 FEAB COc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1Br 8745151 WXXJSSHUKVMUPT-UHFFFAOYSA-N 369.244 2.387 0 40 FEAB COc1cc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)cc1OC 8981170 UMYWFIGJWMHRLH-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB O=C(Cn1cnnn1)Nc1nc(-c2ccc(Br)cc2)cs1 9314312 HILZEZAGZXKYEY-UHFFFAOYSA-N 365.216 2.198 0 40 FEAB Cc1oc(C(=O)N2c3ccccc3OC[C@H]2C)cc1S(=O)(=O)N(C)C 84795798 PDQGEIZQDFQFRL-LLVKDONJSA-N 364.423 2.266 0 40 FEAB COC(=O)c1ccc(OC(C)C)c(NCC2(CS(C)(=O)=O)CC2)c1 95454350 HDOUMMMDAIENTH-UHFFFAOYSA-N 355.456 2.497 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-n2cccn2)c1 89780884 MLEMEQKVZOEQJN-HNNXBMFYSA-N 351.385 2.415 0 40 FEAB Cc1ccc(NC(=O)CNCCCN2CCOCC2)cc1Br 26440600 LCBNBGASSDPCKP-UHFFFAOYSA-N 370.291 2.008 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408709676 FGKGALFYAAWSJB-UHFFFAOYSA-N 353.422 2.390 0 40 FEAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)c1 306124653 BVUPKIIQCOLVGR-IRXDYDNUSA-N 353.470 2.029 0 40 FEAB CCN(CC)Cc1cc(CN2CCc3c(nc(C)[nH]c3=O)C2)ccc1OC 36735021 RZNCPUNQRFLMRD-UHFFFAOYSA-N 370.497 2.487 0 40 FEAB CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)N2 521923919 SNDYDBFHSLMBMS-APWZRJJASA-N 371.481 2.486 0 40 FEAB Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cc(F)cnc3O)CC2)o1 530264185 INQYBTYJGLRSFK-UHFFFAOYSA-N 361.373 2.171 0 40 FEAB COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1OC 34860510 FQHODBDFVHKVGH-UHFFFAOYSA-N 370.361 2.258 0 40 FEAB CCc1ccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773654 FHTVJMOCIJXBNW-ZWKOTPCHSA-N 362.495 2.006 0 40 FEAB CC1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1 35311412 SJHDRTTUXHCROX-UHFFFAOYSA-N 361.461 2.278 0 40 FEAB O=C(NCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1 31903397 XBKFXQFNKGVWQN-UHFFFAOYSA-N 352.394 2.182 0 40 FEAB O=C(Cn1cnc2ccccc21)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679593 CIWUBCPEGFOEJQ-ZFWWWQNUSA-N 372.450 2.159 0 40 FEAB COc1ccc2[nH]c(C(=O)NCC(=O)Nc3nc(C)cs3)cc2c1OC 35686251 MHGGJWCIIFXXKX-UHFFFAOYSA-N 374.422 2.319 0 40 FEAB COc1ccccc1OCCNC(=O)c1ccc(Cl)cc1-n1cnnn1 72402595 WYYNIWCEAYPJFH-UHFFFAOYSA-N 373.800 2.133 0 40 FEAB CC(C)C[C@H](C(=O)NC[C@@H](C)N1CCCC1)N1C(=O)c2ccccc2C1=O 36077153 YHFHRBUKZNXSFQ-CRAIPNDOSA-N 371.481 2.298 0 40 FEAB Cc1cc(C)cc(NC(=O)c2cn(CC(N)=O)c3nc(C)ccc3c2=O)c1 49002178 ZVXMZJXBLHGOFT-UHFFFAOYSA-N 364.405 2.059 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H](c1ccccc1)n1cnnn1 85432531 NOYQINSZIVKTGC-GOSISDBHSA-N 364.384 2.242 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC(c2ccccc2)=NO1 226745773 NYUNIDLZKNORPY-YWZLYKJASA-N 355.438 2.087 0 40 FEAB O[C@@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccccc2)CC1 41690291 XFVIVPGPOZQALZ-HXUWFJFHSA-N 374.456 2.404 0 40 FEAB Cc1cccc(-n2cnc3nc(N4CCOCC4)nc(O)c3c2=S)c1 40385687 KHUBCYCXLMHNCR-UHFFFAOYSA-N 355.423 2.396 0 40 FEAB Cc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 222861417 AJXQESARCNRLTD-UHFFFAOYSA-N 368.484 2.310 0 40 FEAB CCSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)s1 225644857 YLGQIGOGFNBTOR-UHFFFAOYSA-N 372.497 2.298 0 40 FEAB O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H](Nc1cnccn1)CO2 96224795 KXRVMEZPQZGRQM-QGZVFWFLSA-N 352.438 2.281 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)C(=O)N1C 96261580 IGZXTZBUWSPPDI-PTSWNOGYSA-N 372.444 2.396 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccc(F)cc1)CCC2 96259362 HIHBVALHSFQPSM-UHFFFAOYSA-N 370.428 2.120 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC(Oc2ncccc2Cl)CC1 96024855 VXTZZRNCGNWYIW-UHFFFAOYSA-N 353.831 2.362 0 40 FEAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2cccnc2)CC3)c1 96051717 ZBCLUNKRBSJAIO-KRWDZBQOSA-N 352.438 2.235 0 40 FEAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccco4)C3)C2)nn1 96078505 GZABPVMSCJJYNG-VQIMIIECSA-N 358.442 2.098 0 40 FEAB O=C1C[C@]2(CCN(CC3CCOCC3)C2)CN1c1ccc2c(c1)OCO2 96050785 RPJOJIQTFFSFGV-FQEVSTJZSA-N 358.438 2.271 0 40 FEAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)c1 257317389 VJOSUKSORMIBCF-QGZVFWFLSA-N 355.486 2.148 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccc(C)cc1 257315407 VBECYRNFTGFANY-MJGOQNOKSA-N 354.454 2.345 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257246793 IVVYGOUOPQHHTK-MRXNPFEDSA-N 350.426 2.329 0 40 FEAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccccc1F 85467679 UARXLBUVIRLGET-OAHLLOKOSA-N 359.376 2.331 0 40 FEAB Cc1ccc(CN(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 260759549 BPBRFNAZCCRILP-YESZJQIVSA-N 350.484 2.061 0 40 FEAB Cc1c(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)nnn1-c1ccc2ncccc2c1 621689169 DLTBHOKXARLPMP-FOIQADDNSA-N 362.437 2.077 0 40 FEAB O=C(Cc1cccnc1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 630142277 WGIPHYIYCIBQID-KRWDZBQOSA-N 367.405 2.342 0 40 FEAB C[C@@H](CC(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C1CCNCC1 648162893 YFRYFFMWKSPFDA-LBPRGKRZSA-N 356.463 2.335 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)c1 585278932 WXGLXPZTVKYTHG-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB COCCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@H]2COC 585104113 WQDRAJPJUSSSBG-INIZCTEOSA-N 366.527 2.472 0 40 FEAB COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CN3CCC(C)C)C2)c1 585107988 QHMAYYIEARWFPT-YJBOKZPZSA-N 352.500 2.436 0 40 FEAB CC(=O)N1CC2(CCN(C3CCN(C(C)C)CC3)CC2)C[C@H](O)C1(C)C 1615153510 ACDVCACTWTUTBB-IBGZPJMESA-N 365.562 2.333 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc(NC2CC2)n1 1632792035 KHHIHZXBXSHLSU-ZWKOTPCHSA-N 358.486 2.072 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 8115027 FSYDPOSKWWXXHA-SDQBBNPISA-N 353.421 2.078 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)cc2n1 12161297 UOCKSIHGGJRJJM-INIZCTEOSA-N 366.425 2.463 0 40 FEAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnccn1 12220337 CZDRCZKSTSGFET-HNNXBMFYSA-N 369.450 2.216 0 40 FEAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cn2nc(C)ccc2=O)n1 12227606 AXQSZDIESNIBPB-CQSZACIVSA-N 374.491 2.478 0 40 FEAB O[C@@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 19335397 YMPDUNYOBVFIQS-SFHVURJKSA-N 358.413 2.453 0 40 FEAB CC(C)c1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 19454108 ZPIZVDHZBMKQHN-UHFFFAOYSA-N 362.437 2.304 0 40 FEAB CN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2ccccn2)C1=O 19695556 YWISJRNXQNQGIQ-SFHVURJKSA-N 351.450 2.174 0 40 FEAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCCN2CC(=O)N(C)C)n1 19766986 FHGWGMKVYHTCOI-QGZVFWFLSA-N 373.501 2.026 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cnn1C 2037909256 JBWWJIGHAMNEQZ-NRFANRHFSA-N 371.481 2.484 0 40 FEAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4cncnc4)C3)C2)n1 2056223698 BDAJPQTUXZRECJ-IBGZPJMESA-N 352.442 2.098 0 40 FEAB COc1ccc(NC(=O)COc2cccc3c2CCNC3=O)c(OC)c1 4851134 RDNHGAVQEZNQFY-UHFFFAOYSA-N 356.378 2.007 0 40 FEAB O=C(c1ccccc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782071 HFGXCQXCSONIRQ-UHFFFAOYSA-N 352.438 2.041 0 40 FEAB CCOc1ccc(-c2cc3c(=O)n(Cc4noc(C)n4)ccn3n2)cc1 1775968172 LWRAZFDUCRLPJZ-UHFFFAOYSA-N 351.366 2.301 0 40 FEAB Cc1cc(O[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)o1 218934320 WCOQZWCXZGKYSQ-CYBMUJFWSA-N 358.350 2.362 0 40 FEAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C(=O)Nc1ccon1 207972233 QKHGTDPGBXQKHB-OAHLLOKOSA-N 357.391 2.073 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1 575414307 DNMJGEDRLVJBJV-UHFFFAOYSA-N 350.378 2.199 0 40 FEAB C[C@H]1CN([C@@H](C)CNC(=O)CCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 40087308 IUMSQJAGMWUOEM-OKZBNKHCSA-N 370.497 2.419 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 101158311 CJWNRZVRQCFWAU-DEQQHWRFSA-N 363.410 2.330 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ncccn2)CC1 32856010 JRYLBEBWOABWJW-UHFFFAOYSA-N 351.385 2.435 0 40 FEAB O=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccc(Cl)cc1 2637519 NDYUJYVMBHQADT-UHFFFAOYSA-N 366.845 2.196 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 1052312 PNHMUFAURHIVMW-HNNXBMFYSA-N 353.827 2.403 0 40 FEAB CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)Nc2ccccc2)c1 1727761 BTPGXYNYDBTTQJ-UHFFFAOYSA-N 365.441 2.194 0 40 FEAB O=C(C1=Cc2cc(Cl)ccc2OC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 78274728 LYDPPAVCKMWDRA-HNNXBMFYSA-N 367.854 2.294 0 40 FEAB COC(=O)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)SCC2 4358927 SBLFCTFLVQJOLU-UHFFFAOYSA-N 364.448 2.154 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C(=O)NCCN(CC)CC)cc1 4769787 RDWSQUJZADOIPL-UHFFFAOYSA-N 363.458 2.040 0 40 FEAB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)cc1 6961571 ZIJLPDVDVYUZEI-MHWRWJLKSA-N 353.378 2.403 0 40 FEAB C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 103426349 LALSKNZIEFIGLM-JKQORVJESA-N 368.481 2.296 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc3ccccc23)NC(=S)N1 8692112 CKYAOVHGGIPVSJ-SFHVURJKSA-N 367.474 2.491 0 40 FEAB O=S(=O)(CCNc1nccc(C(F)(F)F)n1)N1CCc2ccccc21 42110141 MCEVCZLJAYTTCI-UHFFFAOYSA-N 372.372 2.300 0 40 FEAB O=C(NS(=O)(=O)c1cccs1)c1cc(Cl)c2c(c1)OCCO2 42243115 UDZYBXXVUCTKPZ-UHFFFAOYSA-N 359.812 2.291 0 40 FEAB O=C(c1nc(-c2ccccn2)no1)N1CCN(c2ccc(F)cc2)CC1 12321190 KHEQVAPJVIHTEZ-UHFFFAOYSA-N 353.357 2.233 0 40 FEAB Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 108526212 OPKKJUDJXHYNAF-NVXWUHKLSA-N 350.413 2.255 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@@H]1CCCN1C(=O)c1cccs1 12506813 NIBRCGUBCVUGKN-AWEZNQCLSA-N 354.435 2.317 0 40 FEAB O=C(NOCc1ccccc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 25286954 CRURZDPZHKYCQS-DLBZAZTESA-N 374.437 2.216 0 40 FEAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cn1 25310888 NMPGIEIXTYHPRL-SNVBAGLBSA-N 363.215 2.174 0 40 FEAB CN(C)C(=O)COc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 44339263 FULPONZELBPHQU-QGZVFWFLSA-N 354.406 2.407 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)CC1 53387365 GTXVILFHTORIEP-AWEZNQCLSA-N 364.511 2.414 0 40 FEAB O=C([C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1)N1CCOCC1 44403806 WWALFUSZGQLOBW-IEBWSBKVSA-N 356.466 2.204 0 40 FEAB COc1ccc(CN(CC(=O)OC(C)(C)C)[C@H]2CCS(=O)(=O)C2)cc1 27653049 VUWDAHJRKPIRRQ-HNNXBMFYSA-N 369.483 2.026 0 40 FEAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108531070 LSFQFOHLKCPYJP-DOTOQJQBSA-N 352.429 2.326 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1F 48252638 JIIJGKPFQMGCCU-OAHLLOKOSA-N 364.417 2.348 0 40 FEAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)nn3C)n2C)c1 11453097 YGKDMJCYGCAMCR-UHFFFAOYSA-N 372.454 2.263 0 40 FEAB COC(=O)c1sccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12874500 GBLGGGDWJPTJHR-UHFFFAOYSA-N 372.406 2.435 0 40 FEAB COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12926941 WLRUVEAKWSWUPV-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB COc1cc(OC)c2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1 4000308 YERNPRJBSKSRDO-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB biogenic O=C(Cn1cnc2cc3c(cc21)OCCO3)Nc1ccc2c(c1)OCCO2 64794902 KZBBFKYAXXEDRO-UHFFFAOYSA-N 367.361 2.217 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1OC 4308719 DUAOFCBCLOUFIR-CWTRNNRKSA-N 360.410 2.387 0 40 FEAB Cc1cccc(OCCNC(=O)c2sc3ncn(C)c(=O)c3c2C)c1 14197445 OFBSZIPLBXGGFV-UHFFFAOYSA-N 357.435 2.421 0 40 FEAB COCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4731404 ZKACMKNEPKGWTM-FQEVSTJZSA-N 363.417 2.476 0 40 FEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 18749977 BFJYPRLACREJJH-UHFFFAOYSA-N 360.341 2.365 0 40 FEAB Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1C1CC1 5702289 PFAZWZFNRUXQMH-UHFFFAOYSA-N 354.443 2.496 0 40 FEAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccccc1 4829332 QQBTUKYKZLHKAT-ZDUSSCGKSA-N 350.374 2.390 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccccc2)CC1 8982171 SJTNYEDYJRAUQW-UHFFFAOYSA-N 367.405 2.448 0 40 FEAB NC(=O)c1ccc(OCC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 68211145 SIDJEEXCMBCSNJ-OAHLLOKOSA-N 360.797 2.458 0 40 FEAB CCOC(=O)c1cnc(S[C@H](CC)C(=O)Nc2cc(C)on2)nc1N 16117446 LFBODEREPOIQIR-SNVBAGLBSA-N 365.415 2.041 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N(C)CCOc3ccccc3F)cnc12 16263396 LHEXYRNYIVJNDK-UHFFFAOYSA-N 369.396 2.381 0 40 FEAB Cc1cnc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cn1 7989355 MGFPDGXQXMRTDH-UHFFFAOYSA-N 355.423 2.484 0 40 FEAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cnc2sccn2c1=O 28233884 ZTBMXQIVTKJOLA-UHFFFAOYSA-N 369.381 2.392 0 40 FEAB Cn1c(=O)n(C)c2cc([C@H]3CC(=O)Oc4ccc5nsnc5c43)ccc21 96224143 PQMVENVFHQIRMT-SNVBAGLBSA-N 366.402 2.323 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCOc1ccccc1F 9499051 KHYRGJSOFOPIPP-UHFFFAOYSA-N 355.369 2.190 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 9467204 PSKYCJXBEYWFLU-RMKNXTFCSA-N 364.405 2.253 0 40 FEAB O=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1nc[nH]n1 19850853 QLNKDTRDFVUNNN-UHFFFAOYSA-N 360.226 2.422 0 40 FEAB O=C(CCC(=O)N1CCC[C@H](CCO)C1)N1CCc2sccc2C1 84618279 DKOYKGDKTKXXDW-CQSZACIVSA-N 350.484 2.034 0 40 FEAB O=CN1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 22913724 KEHROJDCBHMIJP-UHFFFAOYSA-N 363.461 2.159 0 40 FEAB COC(=O)c1coc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 95940216 NVNNSINBKMFKPP-KBPBESRZSA-N 364.442 2.028 0 40 FEAB CCS[C@H](C)c1noc(CN(C)CC(=O)N(C)CC(F)(F)F)n1 89274794 ABTIKFMGCAYVIN-SECBINFHSA-N 354.398 2.336 0 40 FEAB COC(=O)c1cc(NC(=O)CN2C[C@@H]3CCCCC[C@@H]32)cc(C(=O)OC)c1 75109049 SSWJWHDVVIPXOA-GUYCJALGSA-N 374.437 2.463 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)CC1 408602205 IIYYUVAJJJONBY-OAHLLOKOSA-N 368.499 2.399 0 40 FEAB COc1ccccc1CN1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 306143365 YAGGRHUBBNYAIF-GOSISDBHSA-N 373.497 2.482 0 40 FEAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-n2cccn2)nn1 70641244 YKGNVOWJCVBXHV-UHFFFAOYSA-N 363.299 2.491 0 40 FEAB CC(C)Oc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 215964905 AXWSTNUXJHEDQV-HDICACEKSA-N 370.449 2.431 0 40 FEAB Cc1nc(O)c2nnn(C3CCN(C(=O)c4ccccc4C)CC3)c2n1 72335974 GFUJWKVRUBFXQB-UHFFFAOYSA-N 352.398 2.021 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71979968 LUAYVXMZEIYDFX-ZDUSSCGKSA-N 373.236 2.341 0 40 FEAB O=C(O)CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392455 PWYAZLIZSVZIKB-UHFFFAOYSA-N 369.768 2.234 0 40 FEAB CC/C=C\C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 195752341 HFKNJQYMAGMXTR-USIJPIEMSA-N 368.470 2.222 0 40 FEAB CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1 40373245 XCDVXOUJHSIACL-LJQANCHMSA-N 350.503 2.204 0 40 FEAB Cn1nc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1=O 85470917 CSMZSXRPUIMMEY-UHFFFAOYSA-N 364.808 2.428 0 40 FEAB Cc1cccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1C 44241760 OTUYMWAXSKLTBO-UHFFFAOYSA-N 370.526 2.202 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)c1 223876776 YJLJFXDDYUKGEV-UHFFFAOYSA-N 364.467 2.272 0 40 FEAB CC(C)CN1C[C@H](C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)CC1=O 95477036 XFWFTDHIORLASW-CQSZACIVSA-N 370.453 2.420 0 40 FEAB O=C1CO[C@]2(COCCN(Cc3ccsc3)C2)CN1c1ccccc1 96051265 SXRLYWKUWNWYCR-IBGZPJMESA-N 358.463 2.383 0 40 FEAB O=C1C[C@H](c2coc3ccccc3c2=O)c2c(nc3ccccn3c2=O)O1 96230967 QTJSDZWJHWGMEV-GFCCVEGCSA-N 360.325 2.242 0 40 FEAB O=C(N1CCCC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96158867 ZGJITUPDTUCBET-UHFFFAOYSA-N 350.488 2.026 0 40 FEAB COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96107815 HHFAJLQMOLDOFN-QUCCMNQESA-N 355.438 2.435 0 40 FEAB Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N=c1nc(C(C)C)[nH]n1C 585079919 BZFOEZHWSWOPOC-UHFFFAOYSA-N 362.377 2.488 0 40 FEAB CN(CCC(F)(F)F)C(=O)N1CCN(c2ncncc2Cl)CC1 585082848 WHCJUKFFVKQVTH-UHFFFAOYSA-N 351.760 2.256 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247831211 LBHUUKKCYNOXQF-HNNXBMFYSA-N 368.389 2.263 0 40 FEAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc3ccccc3n1)C2 253380995 CHDIZJOVBFZSTH-INIZCTEOSA-N 360.479 2.260 0 40 FEAB CCS(=O)(=O)N1CCCc2cc(I)ccc21 256050155 CYHDXYCXTADQHC-UHFFFAOYSA-N 351.209 2.394 0 40 FEAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CNC(C)=O)o2)c1 257237595 HHEKZQNJHMHYDI-SFHVURJKSA-N 371.437 2.464 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 250704299 VLHSMISNEYPXOI-DOMZBBRYSA-N 364.829 2.247 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(Oc3cnccn3)CC2)c1 684773660 YRMKBCNQGCRUOF-UHFFFAOYSA-N 364.409 2.049 0 40 FEAB O=C(NC1CC(OCc2ccccc2)C1)C1(n2cnnn2)CCCCC1 649927836 JYBSDCUHIURVEM-UHFFFAOYSA-N 355.442 2.197 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccc(C)cc3)CC2)C1 585104298 YJZQJGUXYOXVSC-LJQANCHMSA-N 360.498 2.442 0 40 FEAB Cc1ccc(N2CCC(O)(CN3CC[C@@H]4NC(=O)CCCC[C@H]43)CC2)cc1 585285351 XTWNZGYAIDUTGM-VQTJNVASSA-N 371.525 2.459 0 40 FEAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 75107479 QXCISCZDXKRWHP-INIZCTEOSA-N 369.469 2.265 0 40 FEAB CC(C)[C@H](C(=O)N[C@H]1CCCCNC1=O)n1cnc2cc(F)c(F)cc21 95957128 BLBBADHGXKFEBL-XJKSGUPXSA-N 364.396 2.297 0 40 FEAB CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N3CCNCC3)c2o1 95918515 YIANYBFDPOYNDX-UHFFFAOYSA-N 357.863 2.373 0 40 FEAB CCN1CCc2nc(NC(=O)c3cccnc3N3CCOCC3)sc2C1 96968505 WHGOIBLKSLHKIG-UHFFFAOYSA-N 373.482 2.005 0 40 FEAB O=S(=O)(NCC1(OCCO)CCCC1)c1ccc(C(F)(F)F)cc1 888106882 AVUALJPXTZLDLJ-UHFFFAOYSA-N 367.389 2.305 0 40 FEAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCC1CCCCC1 1548925270 CPIMNQHVEWYZHU-XUVXKRRUSA-N 356.470 2.243 0 40 FEAB COC[C@H](NS(=O)(=O)c1cnc(N)c(C)c1)c1ccc(Cl)cc1 1622081725 PEKZGXRTGZXMSX-AWEZNQCLSA-N 355.847 2.292 0 40 FEAB NC(=O)c1nc(-c2ccccc2)nc2c1[nH]c(=O)n2CCc1ccccc1 12145946 HIASTKLEZXLDTA-UHFFFAOYSA-N 359.389 2.128 0 40 FEAB CCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)CC)CC1 14257848 YJVADJHHEFXZGT-UHFFFAOYSA-N 362.499 2.358 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 16642954 RVWQTCGCMYRCML-UHFFFAOYSA-N 364.511 2.444 0 40 FEAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1c(C)noc1C)CC3 19126043 JWVFZFFSQPTWJJ-UHFFFAOYSA-N 358.423 2.070 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CC(=O)NCC(C)C)CC1(CCN(C)CC1)O2 19218580 OVYAVEOEBNVBEH-UHFFFAOYSA-N 373.497 2.066 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cn1 19705913 QFHXBUWQHCEZOY-MRXNPFEDSA-N 368.437 2.207 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3C(=O)CCC3CCCC3)n2CC1 19710749 KFLQFZMCGCZCNV-QGZVFWFLSA-N 373.501 2.317 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 19715504 VMHCUJSHAOYBSD-AWEZNQCLSA-N 352.442 2.125 0 40 FEAB COc1cccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 19924036 SFOLHONUNSCUBA-UHFFFAOYSA-N 367.413 2.213 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 583616844 XEFHEIMQDBSVAU-VIFPVBQESA-N 351.336 2.489 0 40 FEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(C(=O)N2CCCCC2)CC1 10027667 PPMAPHDGSGCGBE-UHFFFAOYSA-N 367.449 2.393 0 40 FEAB CSc1ncc(C)c(OCC2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 1888866714 UEBJIXYVPGMNBG-UHFFFAOYSA-N 374.510 2.497 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(C(F)(F)F)ccc1=O 1888913433 CGNYIABWEVDFCU-SECBINFHSA-N 369.299 2.233 0 40 FEAB O=C1[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888930611 ZCBPZRVBJOFCTJ-IYBDPMFKSA-N 358.401 2.251 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CN(C)c1ccc(S(N)(=O)=O)cn1 23872956 ADYBZJDOOGQTMN-UHFFFAOYSA-N 371.466 2.168 0 40 FEAB COc1ccc(CCNC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)cc1 29561413 LHSWVPWROHJEGY-CQSZACIVSA-N 366.417 2.347 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)CN(C(C)C)Cc1cncn12 1565542363 UQUOAHYKTGIAKW-LJQANCHMSA-N 357.458 2.343 0 40 FEAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCOc1ccccc1 4520619 ZCWBMAWUWVLSSJ-UHFFFAOYSA-N 374.462 2.479 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)c1nc(-c2ccc3c(c2)OCO3)no1 4625326 IOFBUWGXILRYRF-UHFFFAOYSA-N 363.333 2.272 0 40 FEAB Cc1ccc(N2CCn3c(SCC(=O)NC[C@H]4CCCO4)nnc32)cc1 9651616 VIGYEUARQLACIN-OAHLLOKOSA-N 373.482 2.126 0 40 FEAB COc1ccc([C@H](CNC(=O)c2cccs2)N2CCN(C)CC2)cc1 22794256 QVGURQOGBHRKDH-KRWDZBQOSA-N 359.495 2.475 0 40 FEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)/C=C/c3ccco3)CC2)c1=O 575616300 YYGSCHZIPUCKKX-SNAWJCMRSA-N 370.331 2.071 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154988 MMYAWBRWRZYOGJ-SFHVURJKSA-N 360.435 2.354 0 40 FEAB CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 12662866 UTDOUDMTSCJWPW-BTDLBPIBSA-N 361.394 2.268 0 40 FEAB biogenic O=C(CCc1nc(-c2cccs2)no1)NCc1nnc2n1CCCCC2 40012933 OVTRZPJKHAIQHV-UHFFFAOYSA-N 372.454 2.365 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n1 32306260 VCCNWKROKHVESN-UHFFFAOYSA-N 354.454 2.229 0 40 FEAB O=C(CCN1CCc2sccc2C1)N1CCN(c2ccccn2)CC1 32776787 XZGXOPRHEQCCLH-UHFFFAOYSA-N 356.495 2.240 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 29835939 HJLFUWASFISRHP-KBXCAEBGSA-N 357.429 2.363 0 40 FEAB O=C(NCCNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 32908218 VVBPDMNTVJMGPP-UHFFFAOYSA-N 352.369 2.171 0 40 FEAB O[C@H](CNc1ccc2nnc(-c3ccccc3F)n2n1)COCC1CC1 78650203 YUXLNSMWKAVCNN-CYBMUJFWSA-N 357.389 2.130 0 40 FEAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCCCCC1 21897544 CRWADWPHMVUQGN-MRXNPFEDSA-N 366.483 2.160 0 40 FEAB CCN(CC)CCCn1c(SCC(N)=O)nnc1-c1ccoc1C 4860208 ARBQYYRPRIHZME-UHFFFAOYSA-N 351.476 2.156 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(C)c2)c1=O 4999928 OEKLOSNVZKDJDV-UHFFFAOYSA-N 355.369 2.269 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc2c1=O 6092260 DRUMNDZBCFUJOV-UHFFFAOYSA-N 362.455 2.133 0 40 FEAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 6648256 NRLVTCIPTRXIRN-ZROIWOOFSA-N 364.423 2.353 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 22413799 WCIWIRGQTRSJKW-UHFFFAOYSA-N 360.391 2.297 0 40 FEAB O=S(=O)(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCCCCC1 22413211 POAVOWFLMOAVCF-UHFFFAOYSA-N 374.890 2.364 0 40 FEAB O=C(CN1CCN(Cc2cc(-c3cccs3)on2)CC1)N1CCCC1 22787616 MAHSTWFOEDNRRI-UHFFFAOYSA-N 360.483 2.143 0 40 FEAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1 816027 HEAIEICFSRTKBY-UHFFFAOYSA-N 361.394 2.322 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1 54115894 CSZKBPKQGDPJJL-UHFFFAOYSA-N 372.402 2.100 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 23270650 QSTICZBBQPSWKO-OAHLLOKOSA-N 357.454 2.379 0 40 FEAB O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1 12538155 VWHXDFDEZVXDBO-UHFFFAOYSA-N 373.478 2.229 0 40 FEAB COc1ccc(CNC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 56455042 VMCROZKVXZKNOC-UHFFFAOYSA-N 356.426 2.131 0 40 FEAB CN1CCN(Cc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)CC1 57053991 OECZJERHHRDGLQ-HXUWFJFHSA-N 367.449 2.213 0 40 FEAB C[C@H]1CCCN(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 108777042 UAOFDRDJBUFBIP-PKOBYXMFSA-N 357.498 2.387 0 40 FEAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1 3293247 SUMDIJSMVIPOGS-SFHVURJKSA-N 360.479 2.270 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1 22250949 XMGWVCBHIBFGHE-UHFFFAOYSA-N 356.397 2.488 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccnc(-n2cccn2)c1 48289504 IKRSCAZQAKSXGN-SCLBCKFNSA-N 350.378 2.112 0 40 FEAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 10967963 BQEXODPQEBJEMU-GFCCVEGCSA-N 351.399 2.485 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)no1 28668128 KPWTXYYRQZHJHE-LBPRGKRZSA-N 369.468 2.392 0 40 FEAB Cn1ncc2c(NCC(=O)Nc3ccccc3Br)ncnc21 12753315 VAJNUBHWEBVPPH-UHFFFAOYSA-N 361.203 2.176 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 12975071 XBWJURSWDPLGDS-QGZVFWFLSA-N 354.362 2.226 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 13000155 DVOPQDSTYAFOIZ-CQSZACIVSA-N 366.483 2.304 0 40 FEAB COCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 9698656 DTCFPBLUPHUSSJ-UHFFFAOYSA-N 360.435 2.413 0 40 FEAB CN1C[C@@H](NC(=O)c2ccncc2)C[C@H]1c1nc(Cc2ccccc2)no1 20464245 VFDGMMZOXIWKMD-IRXDYDNUSA-N 363.421 2.231 0 40 FEAB biogenic,in-vitro COC(=O)c1cc(NC(=O)CN2CCc3ccccc32)cc(C(=O)OC)c1 13140931 WEFQLEWKWMLRAG-UHFFFAOYSA-N 368.389 2.261 0 40 FEAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 4568588 LOLLLATXOOPDNB-CQSZACIVSA-N 354.472 2.012 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)cc1 23484104 LBTKPSHSPNBCJL-UHFFFAOYSA-N 364.442 2.413 0 40 FEAB C[C@H](Sc1nnnn1C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 6643542 ZLXROFQQFSFBHJ-YFKPBYRVSA-N 366.756 2.397 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)no1 9721523 GOJIGSRNEKLFCJ-IBGZPJMESA-N 368.393 2.095 0 40 FEAB CCCCN(C(=O)c1cccc(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 5634424 LYUAJPYPPFRJBY-UHFFFAOYSA-N 358.442 2.284 0 40 FEAB Cc1cccn2c(=O)cc(CSc3nnc(-c4ccncc4)n3C)nc12 6880526 NLFVAOJDCIKEFN-UHFFFAOYSA-N 364.434 2.486 0 40 FEAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 7195276 HKLJPPBGWKPYCU-IIBYNOLFSA-N 366.417 2.128 0 40 FEAB COc1ccccc1C(=O)Nc1cc(=O)[nH]c2nc(-c3ccccc3)nn12 9359286 UELZMEIYXJZTLG-UHFFFAOYSA-N 361.361 2.346 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 7943403 GPMYMAJXPRDHFT-UHFFFAOYSA-N 355.213 2.500 0 40 FEAB CCc1ccc2c(CN3CCN(c4ncccn4)CC3)cc(=O)oc2c1 16483336 OAVONOAJBZZCKV-UHFFFAOYSA-N 350.422 2.468 0 40 FEAB CCCn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)n[nH]c1=O 8474876 JBIIAIJHVGCGRT-UHFFFAOYSA-N 364.515 2.406 0 40 FEAB Cn1cc(C(=O)C[C@H]2CCCN2c2ncc(Br)cn2)cn1 95455242 NCZIOIJUKKJMQZ-GFCCVEGCSA-N 350.220 2.214 0 40 FEAB CN(C)[C@@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 95408055 QECIBAMOIHSKIB-HUUCEWRRSA-N 367.440 2.464 0 40 FEAB CCN(CC)[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 73557668 PBTNFOWMUWUIDR-HOCLYGCPSA-N 365.499 2.031 0 40 FEAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 29505009 MLJMSDOLRTYZEN-UHFFFAOYSA-N 373.478 2.411 0 40 FEAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1 21820306 KJFRVKXGWGKCAX-UHFFFAOYSA-N 364.375 2.437 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 409000499 XAVQJASBMDYQRP-SPUZQDLCSA-N 360.454 2.453 0 40 FEAB COCCN1CC[C@@]2(CN(CC3CC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306124972 CDMGYGXZHAUYNB-XLIONFOSSA-N 360.502 2.138 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306139545 SZXPFBZTWYDZKO-GJZGRUSLSA-N 363.421 2.428 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 36741227 QNWDMYKWYOYKFW-CLCXKQKWSA-N 366.527 2.410 0 40 FEAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccccc1Br 36635324 ZRPUEUOHFSEEEU-JTQLQIEISA-N 354.229 2.091 0 40 FEAB CCCN1CCN(C(=O)c2cn([C@@H]3CCCNC3)nn2)c2ccc(F)cc21 520566248 JZYCBCRBYUALMM-OAHLLOKOSA-N 372.448 2.219 0 40 FEAB O=C(CN1CCC2(CC1)Nc1ccccc1-n1cccc12)N1CCOCC1 72341609 KMWCJLGTRWDMEP-UHFFFAOYSA-N 366.465 2.053 0 40 FEAB CC1CCC(NC(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C(=O)N3)CC1 72334474 GOABQAAETCFNRL-JVCWNBPMSA-N 369.509 2.358 0 40 FEAB Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1CCO 44890944 DEGOFYVATWVATR-UHFFFAOYSA-N 371.220 2.473 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cccc(F)c2)CC1 47533408 PJCCAGZVWVLXQP-UHFFFAOYSA-N 365.449 2.498 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCc2ccccc2)c(C)c1 41778457 ZZNVXMDYGGPUKF-UHFFFAOYSA-N 360.479 2.249 0 40 FEAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223574286 GNMGAQYKJBWNPH-ZWKOTPCHSA-N 374.510 2.111 0 40 FEAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223189241 UHNAXUZURAPOIY-HXUWFJFHSA-N 372.440 2.284 0 40 FEAB CCCCS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OC 96182735 GPLBTCXXRVPUMQ-UHFFFAOYSA-N 368.455 2.026 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12 96079501 CJZIINFURYSPKD-KRWDZBQOSA-N 357.498 2.122 0 40 FEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1Cn1nccn1 618254972 ISJPRKDLJIKTBP-LBPRGKRZSA-N 360.361 2.150 0 40 FEAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC2CCN(C)CC2)C3)cc1 96269392 FIJJSKQRSVKQLB-SFHVURJKSA-N 356.470 2.141 0 40 FEAB biogenic,in-vitro O=C1C[C@@]2(CCN(c3ccccn3)C2)CN1c1ccc2c(c1)OCCO2 96239080 YCYSDCKUTYRFNC-HXUWFJFHSA-N 351.406 2.486 0 40 FEAB COCCN1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]cn1)c1ccccc1O2 96079795 XBQAYHLURSIAMX-MRXNPFEDSA-N 370.453 2.144 0 40 FEAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)nc(C)n3C)[C@H]1O 257289739 PZZIFDDFXGQXKL-ATZDWAIDSA-N 367.453 2.271 0 40 FEAB Cc1cc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)ccc2o1 257203451 AQCROAUYHKIXHL-ROUUACIJSA-N 358.438 2.039 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cncc(-c2cncnc2)c1 257204509 AUYCZVUFYMDFJO-QGZVFWFLSA-N 362.389 2.451 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382682 ZBHVSIJVBDRBMB-HNBVOPMISA-N 371.456 2.325 0 40 FEAB biogenic,in-vitro CCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccc(OC)cc1 257223336 DWXFVNALENQMIQ-MJGOQNOKSA-N 370.453 2.045 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257315253 VANXPOWTDOHQOT-CYBMUJFWSA-N 359.430 2.176 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 677959460 QYYDJHMDORJYAV-ZJPYXAASSA-N 359.470 2.368 0 40 FEAB CC1CCC(OCC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 280131707 MNRDEMJPUOYHJH-UHFFFAOYSA-N 359.470 2.029 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cc[nH]n1 604405763 VHXGESMXSCPZDN-SFHVURJKSA-N 373.372 2.163 0 40 FEAB biogenic COc1cccc(OC(F)(F)F)c1C(=O)N1CCN(C(=O)C2CC2)CC1 665388113 FCFLUXJRYRKOBX-UHFFFAOYSA-N 372.343 2.288 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(-c2ccoc2)nc1 390828604 BKGPSPPCTNTWCJ-UHFFFAOYSA-N 360.373 2.368 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2ccccc2F)Cc2cccn2C1 585099176 RIKLPRRULMRBGI-MRXNPFEDSA-N 359.445 2.412 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccc(Cl)c3)C2)OC1 585105070 OTAGJVQMCPPNFY-HNNXBMFYSA-N 372.918 2.260 0 40 FEAB COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCO 585262595 YLBNCVNNEIKXLS-QGZVFWFLSA-N 367.486 2.208 0 40 FEAB CCCOc1ccc(CN(CCC)C(=O)Cn2cnnn2)cc1OCC 60389105 MQDXMZZEOVFDGF-UHFFFAOYSA-N 361.446 2.299 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85436707 ZUPDQCAMBUQKIY-HNNXBMFYSA-N 358.360 2.114 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 12895308 JEYNHMJRAACNIV-HNNXBMFYSA-N 364.442 2.359 0 40 FEAB biogenic C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 19717182 ZSRCRXGELUIJPE-CYBMUJFWSA-N 362.861 2.191 0 40 FEAB COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2 36378769 AHNUBWYOIHCGFN-HXUWFJFHSA-N 353.374 2.252 0 40 FEAB biogenic,in-vitro CCn1nnc2cc(C(=O)OCC(=O)N(C)Cc3cccs3)ccc21 12214825 NNZLWZKYPSJWOZ-UHFFFAOYSA-N 358.423 2.328 0 40 FEAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)n1 1888897349 ILKNTSIRJHDKSD-IRXDYDNUSA-N 374.448 2.086 0 40 FEAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)c1 1888897353 IQZZUTBDHCINFC-CALCHBBNSA-N 374.448 2.086 0 40 FEAB CC(C)n1ncc2cc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cnc21 27022920 AAZBWUWMFNMTAI-INIZCTEOSA-N 366.425 2.230 0 40 FEAB CC(=O)N1CCCC[C@@]2(CCCN2)CN(C)C(=O)c2ccccc2OCC1 2037989209 ZJEWIBDGQPDDBJ-OAQYLSRUSA-N 373.497 2.292 0 40 FEAB CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224663 OTUSUPNHAADGMH-UWJYYQICSA-N 361.530 2.360 0 40 FEAB Cc1cc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)no1 2055751114 JQWMDYQCCGOVRO-UHFFFAOYSA-N 356.426 2.158 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1 28644396 CJWGGTQZPGUFIH-UHFFFAOYSA-N 356.813 2.194 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)N2CCOCC2)c1-c1ccccc1 5300026 POVDUOBXWJZHTB-UHFFFAOYSA-N 370.405 2.208 0 40 FEAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2093702 JWMYGLVKXABREZ-BTDLBPIBSA-N 361.394 2.404 0 40 FEAB biogenic CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 100102720 YHSLGTJWHCAKKW-QWRGUYRKSA-N 370.540 2.398 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 50424317 NUEHJRWKECJHKD-OAHLLOKOSA-N 350.422 2.274 0 40 FEAB O=C(CCCc1cn(CN2CCOCC2)c2ccccc12)N1CCOCC1 20647596 WUDDAPGKQYNDDZ-UHFFFAOYSA-N 371.481 2.113 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ncc3ccccc3c2=O)c1 8756378 OPOSBAPBHSWBTC-CYBMUJFWSA-N 367.405 2.291 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3cc(C)ccc3C)nc3nonc3n12 837590 MZXNOHUOBUHGBN-UHFFFAOYSA-N 367.369 2.127 0 40 FEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 1578639 VXUVNSBXLFFECZ-STQMWFEESA-N 350.415 2.148 0 40 FEAB COC(=O)c1cc(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)oc1C 79069523 PCIFLELVHCSTKX-INIZCTEOSA-N 364.442 2.418 0 40 FEAB COCCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1 79107512 CCHSHVAYBAMWIL-UHFFFAOYSA-N 359.426 2.279 0 40 FEAB CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C(=O)NC)c1C 3536906 RMCPWXSBVPDFBS-UHFFFAOYSA-N 367.471 2.017 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1 6326597 WCLUAKVVXKHHRY-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)s1 6680332 YOXLKIRZTZPBIP-UHFFFAOYSA-N 360.486 2.055 0 40 FEAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 670936 HOSMYGTTWQJPRQ-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1C 8778921 FZRIAAIBAWHDSR-UHFFFAOYSA-N 368.480 2.321 0 40 FEAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CCCCC1 12363122 OCBMYUXKRRFYPA-HNNXBMFYSA-N 361.364 2.436 0 40 FEAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCc2ccccc21 23045429 VGUJEWJTEMJPDL-CYBMUJFWSA-N 352.390 2.310 0 40 FEAB Cc1ccc(OCC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1 57898164 DEUBVHUJLRWENJ-CQSZACIVSA-N 362.451 2.207 0 40 FEAB COc1ccccc1N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 23641578 NCIZVFSSBKAYEX-UHFFFAOYSA-N 357.454 2.094 0 40 FEAB CCOC(=O)N1CCC[C@H](C(=O)NCC(=O)Nc2ccccc2CC)C1 24836557 IHQJETQJVZACEY-HNNXBMFYSA-N 361.442 2.172 0 40 FEAB O=c1[nH]nc(CCCNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)[nH]1 72307671 IDOQYZGSBGZWCH-UHFFFAOYSA-N 365.319 2.014 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C)on1 25135863 CPEZLYWJDOPVON-SFHVURJKSA-N 354.410 2.170 0 40 FEAB NC(=O)COc1cccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 26002672 ADMALXUCXAZWGA-UHFFFAOYSA-N 354.341 2.332 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)cc1C 48231183 OXABWUJEJZTIIG-UHFFFAOYSA-N 356.451 2.422 0 40 FEAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 48354140 WGZMUIUHVAZBAU-UHFFFAOYSA-N 358.778 2.387 0 40 FEAB COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 2389858 GPNITLJDPXHFOW-UHFFFAOYSA-N 356.411 2.012 0 40 FEAB Cc1ccc(OCCOC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 11337261 CPAQBIQHORSMDV-UHFFFAOYSA-N 368.389 2.283 0 40 FEAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cn1 3542626 VRRIFKQFYHTBGH-OAHLLOKOSA-N 357.410 2.422 0 40 FEAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc[nH]c1=O 64457528 UGGFAQCVFZXFOV-UHFFFAOYSA-N 354.435 2.383 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)c1ccc(COc2ccccc2)o1 6125388 SVENQNVYIXRRGJ-UHFFFAOYSA-N 360.366 2.251 0 40 FEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)OC 6328040 UANRELUNQKOEGR-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB O=C(c1cc[nH]n1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72355193 SRRZMCLLXXSKPK-MRXNPFEDSA-N 362.437 2.021 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14251171 SBWVKUBVUPFCDO-SNVBAGLBSA-N 355.350 2.049 0 40 FEAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 6627926 GQPCQBTVHZPQTM-GOSISDBHSA-N 357.366 2.030 0 40 FEAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 6649873 BTRWYNYFOCCRQB-AWEZNQCLSA-N 367.405 2.013 0 40 FEAB O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633608 SUOLUELHHQUFNN-UHFFFAOYSA-N 352.456 2.226 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)NCCO)C23CC4CC(CC(C4)C2)C3)cc1 6845108 LCCUUIGNVOYPLV-PQGQHUGISA-N 370.493 2.418 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@H]1c1cccc(F)c1 67091903 ZJLKZDRJOMMULK-GJZGRUSLSA-N 359.401 2.053 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O 4999866 WFOXDKZPGMEXFO-UHFFFAOYSA-N 371.824 2.153 0 40 FEAB O=C(NNc1ncccn1)[C@H]1CCN(C[C@H]2CCCc3ccccc32)C1 96012293 UWXZNHSPEFPDJA-SJORKVTESA-N 351.454 2.362 0 40 FEAB COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 67504224 OQNRSQWLMWUTFS-JKSUJKDBSA-N 374.462 2.231 0 40 FEAB O=C1CSc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)cc2N1 67891556 HFFOQZOZFAXEAB-ZIAGYGMSSA-N 367.430 2.342 0 40 FEAB COc1ccc(OC)c(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)c1 16628708 HXAPMWMZYUSHKD-OAHLLOKOSA-N 372.421 2.414 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC=C(F)C1)C2=O 95464782 PGJVIKLNWCYABU-SGTLLEGYSA-N 351.422 2.209 0 40 FEAB CN1CCC[C@@H](N(C)CC(=O)N[C@@H](c2ccccc2)c2nccs2)C1 95446736 WOIZCILJJSARIQ-AEFFLSMTSA-N 358.511 2.375 0 40 FEAB CC[C@H](CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1 95464476 RGRPFBZQNZOKHY-WBVHZDCISA-N 360.454 2.352 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)NC1CC1 95999846 MXQBDLZHRLQGGV-IBGZPJMESA-N 368.481 2.200 0 40 FEAB CCc1cnc(CCNC(=O)N2CCN(c3ccccc3O)CC2)s1 74841614 YSTJRXSQGZLVNM-UHFFFAOYSA-N 360.483 2.485 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 306136119 PJXSNLNYRDQKJX-HKUYNNGSSA-N 357.450 2.424 0 40 FEAB COc1ccc2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]c2c1 35288698 QKJHCCBCMFMVED-UHFFFAOYSA-N 352.346 2.195 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 72339170 NDWGAJHSHGEKTJ-YKTCAUAMSA-N 356.422 2.229 0 40 FEAB O=C(CSC1CCCC1)N1CCCc2cnc(N3CCOCC3)nc21 675008400 VZKLXHZNWDZBOZ-UHFFFAOYSA-N 362.499 2.268 0 40 FEAB O=C(c1cc([C@H]2CCCNC2)no1)N1CCN(c2ccc(F)cc2)CC1 72391960 OMPYGTDHCLCQEQ-AWEZNQCLSA-N 358.417 2.243 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218574275 JMOSYQVSXYVIJF-YQQAZPJKSA-N 365.838 2.309 0 40 FEAB NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 218391930 GURRKONCLLDPSU-JKSUJKDBSA-N 350.871 2.184 0 40 FEAB CCCCOc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224217197 CNLGHHFNVMXQJL-UHFFFAOYSA-N 370.453 2.422 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1 224627881 YNIXIHRRFWGKPS-UHFFFAOYSA-N 370.456 2.475 0 40 FEAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC(N(C)C)CC1 61520182 HWZREQPXYRPOHE-SFHVURJKSA-N 373.497 2.243 0 40 FEAB CC(C)(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)s1 333714693 GZXNRASZDCVFGK-WCQYABFASA-N 357.497 2.074 0 40 FEAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCC(N)=O 97987511 OWYLLAURJJXBML-OQLLNIDSSA-N 366.373 2.212 0 40 FEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCc2ccccn2)CC1 95473764 UJVSGTKFQBLRNS-UHFFFAOYSA-N 361.449 2.472 0 40 FEAB O=C1CN(C2CCNCC2)C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)N1 91689943 TUVAKIFXMWJKBI-AWEZNQCLSA-N 356.253 2.135 0 40 FEAB CCc1cnc(N2CCC3(CC2)CN(Cc2nccs2)CCO3)nc1 96158863 QABZWODRFLULIA-UHFFFAOYSA-N 359.499 2.367 0 40 FEAB COc1cccc(C2(C(=O)N3CCO[C@H](Cn4nc(C)cc4C)C3)CC2)c1 585081897 WTUNDGJBJYOKEY-IBGZPJMESA-N 369.465 2.468 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 253494888 ZEIIITZOXPBGMF-HNNXBMFYSA-N 354.472 2.071 0 40 FEAB CC(=O)N[C@@]1(C)C[C@@H](c2cccc(C(=O)O)c2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257200504 ADPKYMVYSQDUFO-LYYGHALDSA-N 359.422 2.437 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)ccc1OCCO 585107764 LFESLWHFCSYBTJ-SJORKVTESA-N 360.454 2.486 0 40 FEAB CS(=O)(=O)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257236465 HCIPHROUUQQEKJ-UHFFFAOYSA-N 361.471 2.219 0 40 FEAB CN1CCC(Cc2cnc(CNC(=O)Cc3ccc(F)cc3)cn2)CC1 257326215 WWHQHWDJIIQVDB-UHFFFAOYSA-N 356.445 2.359 0 40 FEAB Cc1cncc(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)n1 257331565 XTJLOLCEAIXKAJ-UHFFFAOYSA-N 352.394 2.099 0 40 FEAB Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 670416054 CTWBZBJCSPMCCX-CQSZACIVSA-N 354.410 2.110 0 40 FEAB COc1ccc(OC)c(NC(=O)Nc2ccc(N3CC[C@H](O)C3)nc2)c1 1188319073 NXVIZJCIGIUWJC-ZDUSSCGKSA-N 358.398 2.314 0 40 FEAB CN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CCC12CCOCC2 1615589780 UWEDGDHMKSJPTL-UHFFFAOYSA-N 372.444 2.338 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC[C@@H](C)c1ccccc1 624175968 OPOJWNJERVRFNL-LLVKDONJSA-N 350.440 2.467 0 40 FEAB O=C(NCc1ccc(O)nn1)N[C@H]1CCCCCN(Cc2ccccc2)C1 637179979 ZOFNNPLKPXWULD-SFHVURJKSA-N 369.469 2.426 0 40 FEAB COc1cccc(C2(NC(=O)CC[C@H]3CCCN3)CCOCC2)c1F 639013148 HTXRMDHLHZIFNX-CQSZACIVSA-N 350.434 2.488 0 40 FEAB CCc1ccc(-c2noc(CN[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)n2)cc1 643963678 CZAVFAIXFIENBO-KSZLIROESA-N 356.470 2.376 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1C(=O)CC1CCC(C(F)(F)F)CC1 643939531 LTLSAMYHYZSIIV-KOHJWAIASA-N 350.381 2.238 0 40 FEAB O=S1(=O)C[C@@H](O)[C@@H](N(C(=S)Nc2ccccc2)c2ccccc2)C1 575420052 DUWRTSHIPZYDDM-JKSUJKDBSA-N 362.476 2.048 0 40 FEAB Cn1ccnc1-c1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)n(C)n1 585107088 OOHNTTIDFLJMEU-NSHDSACASA-N 367.335 2.149 0 40 FEAB CC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5636970 SHZQTSBLIKFPFO-UHFFFAOYSA-N 374.890 2.137 0 40 FEAB Cc1cccc(-c2nnc3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n23)c1 5723200 AIJUKDGKIIOXRC-SXGWCWSVSA-N 363.398 2.403 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nc4ccccc4c(=O)[nH]3)cc2N1 5932504 IRKWAROBQYCLHA-UHFFFAOYSA-N 367.386 2.229 0 40 FEAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12685294 SAXYOISXCBDZKI-LBPRGKRZSA-N 363.439 2.090 0 40 FEAB COc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(=O)n(C)n2)cc1 19288482 ADAHHJNSRAFPHZ-UHFFFAOYSA-N 364.405 2.027 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCN3CCC(C)CC3)C2)c1 19745660 UJJNPSHKYWLNKK-GOSISDBHSA-N 373.497 2.005 0 40 FEAB CCC(CC)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 7148675 CKRMOBWXPXBOGU-UHFFFAOYSA-N 352.236 2.407 0 40 FEAB Cc1cc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)ncn1 1888881908 MQCMWYRFRWEVOA-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB Cc1csc(-c2cc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)ccn2)n1 2037666400 WQXPVTUIMVEAPT-AWEZNQCLSA-N 366.512 2.499 0 40 FEAB O=C(c1cnn2ccccc12)N1CCc2ncnc(-c3cccnc3)c2C1 1565556361 SABCYKZMRADKJH-UHFFFAOYSA-N 356.389 2.385 0 40 FEAB CCc1ccc(C(=O)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1 1565556282 QKPGGJJKDJLDNF-ICSRJNTNSA-N 353.422 2.492 0 40 FEAB CCCSc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 4139124 AAMFIDYFXPMEFV-UHFFFAOYSA-N 360.414 2.335 0 40 FEAB COCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 6732977 HAEUQPMEIPLVQU-UHFFFAOYSA-N 367.405 2.205 0 40 FEAB O=C(NC1CC1)c1nnn(-c2ccccc2)c1CSc1ncccn1 23109182 VERCDXXYRRNNER-UHFFFAOYSA-N 352.423 2.242 0 40 FEAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 2712367 REXIQAGBZBKKBI-UHFFFAOYSA-N 366.373 2.192 0 40 FEAB CCN1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C(N)=O)C1 4087041 FYFIDDDAQJKZBG-UHFFFAOYSA-N 359.451 2.486 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCN(C)CC3)C2)n(-c2ccccc2)n1 2332241696 WEYNCDVTXDAZKJ-PWIZWCRZSA-N 369.513 2.257 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 2140873 VMPLQZDGNIIOIG-OLZOCXBDSA-N 350.415 2.370 0 40 FEAB CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2cc(F)cc(F)c2)C1 103475903 ARNALWFLKKBWMP-AWEZNQCLSA-N 363.412 2.072 0 40 FEAB C[C@]1(NC(=O)Cc2csc(-c3ccccc3)n2)CCS(=O)(=O)C1 22546410 RNGPQWGZTCORIX-INIZCTEOSA-N 350.465 2.046 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10357385 WCYWBSJEKMFPMY-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 42108341 VLZPAOIOTDJBFV-VIFPVBQESA-N 357.785 2.272 0 40 FEAB COc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1OC 821097 BIXFUMHCNDLEKZ-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccc(C)cc1 23403984 YTQQFOYKJJBMIQ-INIZCTEOSA-N 354.472 2.310 0 40 FEAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)Cc1ccccc1 25057668 JCNFZRYVFMIVRV-KDOFPFPSSA-N 367.401 2.358 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@H]1C[C@H]3CC[C@H]1C3)C2=O 103434379 RUTXBEPHCXLYSC-BJOFRBAVSA-N 361.486 2.428 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(C)c1C 25179852 OADYMTHDBZTURV-INIZCTEOSA-N 374.462 2.465 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CNc2cccc3c2OCCO3)c1 55893896 VSULAHAZVLSPHI-UHFFFAOYSA-N 355.394 2.258 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 25444278 WRTCBOSPPOEUJW-NSHDSACASA-N 352.387 2.140 0 40 FEAB O=C(O[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108055982 JSTPNLXBDBFPPW-SDADXPQNSA-N 374.462 2.332 0 40 FEAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 58193543 NUAWBQATKMYLMC-UHFFFAOYSA-N 366.414 2.136 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423680 AZSMDGOQETUBHT-UHFFFAOYSA-N 362.455 2.195 0 40 FEAB C[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1F 25688820 IXSFGWRTNHYKLA-LBPRGKRZSA-N 355.369 2.369 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 10516707 RTZUJIDASZGCAX-UHFFFAOYSA-N 366.464 2.237 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)cc1)Nc1ccccc1O2 2251379 CXHTUNQESQIGRA-INIZCTEOSA-N 351.362 2.097 0 40 FEAB CN1CCN(Cn2ncc(Cl)c(Cl)c2=O)[C@H](c2ccccc2)C1 36390172 GGQMVTKLJIEDOX-AWEZNQCLSA-N 353.253 2.496 0 40 FEAB COCCCn1c(SCc2noc(-c3cccs3)n2)n[nH]c1=O 48300009 WLXIVGXLBHJROJ-UHFFFAOYSA-N 353.429 2.012 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 3460202 XBEAUIAEXNDUOC-IBGZPJMESA-N 353.378 2.101 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OC(F)(F)O3)CS2 13001665 YOHNMCPSQHIXOR-OTYXRUKQSA-N 356.350 2.401 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2ccccc2c(=O)[nH]1 25669016 TZKREOXRFJKOQM-UHFFFAOYSA-N 366.402 2.098 0 40 FEAB O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 14139575 OCRQZZIUVZTMSG-MRVPVSSYSA-N 372.657 2.329 0 40 FEAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14137165 PRONJBBYOBYLAB-FQEVSTJZSA-N 369.396 2.218 0 40 FEAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)no1 6560220 RVEFHNMOFTZQKZ-UHFFFAOYSA-N 359.407 2.395 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1OC 6582984 QALACYIRCBEGEQ-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB COc1cccc(CNC[C@H](O)COc2ccc(C(C)=O)cc2OC)c1 6605271 QXVNBRVVDGNTKI-KRWDZBQOSA-N 359.422 2.436 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)cc2F)c2ccccc2O1 7253619 QFOAWMDCRLYAGX-QGZVFWFLSA-N 357.385 2.086 0 40 FEAB C[C@@H]1C[C@H]1COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 67801245 NTAMBVVMVCSLQB-MNOVXSKESA-N 361.510 2.298 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(F)c1 8065814 XLPBWXVFLWGFOS-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@H]1CC[C@@H]2C(=O)O 118924254 CJYUFWOVLMFZOX-KHMBGGRGSA-N 366.454 2.270 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2cccc(C(=O)OC)c2)c2ccccc21 8328010 DVQWWWYMBOZKOM-UHFFFAOYSA-N 353.378 2.248 0 40 FEAB CCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 306135527 OTZWVDZAXPLZRG-UZLBHIALSA-N 358.486 2.429 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccn2)cc1OC 9421822 NJIDDBBNZZWOGJ-UHFFFAOYSA-N 374.422 2.394 0 40 FEAB CCCNC(=O)CCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 84756444 ULIPVXBGPHTPKJ-JTQLQIEISA-N 374.268 2.144 0 40 FEAB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2sc(C(=O)O)cc2c1 95425103 SRTKMUAWDFBPGM-UHFFFAOYSA-N 373.346 2.308 0 40 FEAB Cc1c(NC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cnn1CCO 89544796 GFFBVIFLTVTKIT-OKILXGFUSA-N 373.457 2.441 0 40 FEAB C[C@@H]1CN(c2cccc(F)n2)C[C@H]1NC(=O)c1nnc(O)c2ccccc12 1041907214 AFJAKYZZWWXHFD-BXUZGUMPSA-N 367.384 2.124 0 40 FEAB CCOc1ccccc1-c1nnc(SCC(=O)N2CCN(C)CC2)o1 301818936 PLBIIKXYQMBDRF-UHFFFAOYSA-N 362.455 2.001 0 40 FEAB O=C(Cc1cc(Cl)cc2c1OCC2)NC1(c2ncon2)CCOCC1 545186840 DMFURAGRVHTEKY-UHFFFAOYSA-N 363.801 2.023 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCC[C@@H](C)n1nc(C)c(Cl)c1C 36614870 NFPURQDTIIQVDR-SECBINFHSA-N 359.883 2.125 0 40 FEAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(F)c2)cc1 30437983 DISIZOPGWZBQCQ-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1c[nH]nc1-c1ccc2c(c1)OCO2 541355648 QNFKRXSEZDTRCG-UHFFFAOYSA-N 365.345 2.464 0 40 FEAB COc1ccc(Br)c(C(=O)NC[C@@H](O)c2cccn2C)c1 75155088 WRSPIFJQBMKTTJ-CQSZACIVSA-N 353.216 2.260 0 40 FEAB Cc1cnn([C@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)C2)c1 558620499 OAECCGRUIZBJQT-KRWDZBQOSA-N 374.416 2.396 0 40 FEAB C[C@H]1OCc2c1nc(N)c(C#N)c2-c1cc(Cl)ccc1OCC(N)=O 71415691 MJSJQXYHAVXRLQ-MRVPVSSYSA-N 358.785 2.311 0 40 FEAB COc1ccc(Nc2cc(C)nc(NCCNC(=O)[C@H]3CCCO3)n2)cc1 44213744 RIUIFEVNKFUOEN-MRXNPFEDSA-N 371.441 2.244 0 40 FEAB COc1ccnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)n1 40158296 SAARDAQPPKMVCZ-UHFFFAOYSA-N 351.410 2.462 0 40 FEAB O=C(O)C[C@@H]1CCN(Cc2cnc[nH]2)C[C@@H]1Cc1nc2ccccc2[nH]1 514289737 OFSQPFVDPIYVIQ-KBPBESRZSA-N 353.426 2.442 0 40 FEAB biogenic,in-vitro O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C1(C(F)F)CCCC1 581132060 GXWHQQOJEJVBFY-LLVKDONJSA-N 359.394 2.163 0 40 FEAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 96044950 PGFYUJKKPCQJMJ-HNNXBMFYSA-N 357.458 2.111 0 40 FEAB O=C(c1ccc(F)cc1)N1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 96159485 WDAWZJGQGJPUNP-FQEVSTJZSA-N 353.397 2.486 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]3C2=O)cc1 96245342 AMCWMDSEIZCJDH-QAPCUYQASA-N 354.406 2.327 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1)c1ccncc1 96206280 QAUSUTRNKHKXNH-YLJYHZDGSA-N 352.438 2.030 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 248012898 JPXOYNNPEWAYCN-INIZCTEOSA-N 374.462 2.249 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)n1 257250159 JLHKCBKWXXOJNV-INIZCTEOSA-N 357.385 2.261 0 40 FEAB CCCC(=O)N[C@@H]1CN(C(=O)c2cccc(NC(=O)NC)c2)CC1(C)C 1775989550 PASNYWXLJASZHH-OAHLLOKOSA-N 360.458 2.205 0 40 FEAB Cc1nn(C)cc1[C@H](C)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 1775959702 QYPCDFNWGWHZKK-BJOOFOGMSA-N 356.474 2.007 0 40 FEAB Cc1c(C(=O)NCCN2CCC[C@H](C(N)=O)C2)[nH]c2ccc(Cl)cc12 96139952 KHOUBCFHZVQGPW-LBPRGKRZSA-N 362.861 2.057 0 40 FEAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 630175036 PJVBRNNMCYCQMV-IGQOVBAYSA-N 350.212 2.410 0 40 FEAB CO[C@H](c1cccc(Cl)c1)c1noc(COC2CN(C(C)=O)C2)n1 643956764 SLUYHMSCBIMLJG-OAHLLOKOSA-N 351.790 2.206 0 40 FEAB Cn1c(CCN2CCCC[C@@H]2c2n[nH]cc2C(N)=O)nc2ccccc21 685939867 OTHWCXJLRBSSHN-MRXNPFEDSA-N 352.442 2.165 0 40 FEAB O=C(c1ccnc(F)c1)N1CCN2C[C@H](OCc3ccccc3F)C[C@@H]2C1 585108028 XADBGBAILZOIQG-IAGOWNOFSA-N 373.403 2.475 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc(-c2ccoc2)o1 827608969 UODGQRUIOWYVBR-UHFFFAOYSA-N 368.345 2.201 0 40 FEAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccnc2-n2cncn2)c1 63488458 PSNVGCINIZIOPH-UHFFFAOYSA-N 365.397 2.445 0 40 FEAB CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1 12220506 CYNULLGFZJGSAB-GFCCVEGCSA-N 360.462 2.335 0 40 FEAB CC[C@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19500591 CJMISAWAJDLQIT-OAHLLOKOSA-N 358.446 2.290 0 40 FEAB CCN1C[C@H](C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)CC1=O 19526978 YKZHFGUQXIREOK-CQSZACIVSA-N 373.478 2.346 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)s1 19560031 CWPOVAKBOCWNMX-ZDUSSCGKSA-N 358.467 2.283 0 40 FEAB COc1ccc(Cc2cc(=O)[nH]c(N(C)CCc3ccccn3)n2)cc1 19586273 GDGCSBIDDMSFIK-UHFFFAOYSA-N 350.422 2.443 0 40 FEAB CN1CCc2nc([C@@H]3CCCN3C(=O)c3cc(C4CC4)on3)ncc2C1 19590540 MZRRFYXCSPMXNX-INIZCTEOSA-N 353.426 2.307 0 40 FEAB COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O 203453132 CINZVTJCBYRYIC-UHFFFAOYSA-N 362.426 2.323 0 40 FEAB O=C([C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCSCC1 1889108516 ZXPIKXNQJIIRIK-CYBMUJFWSA-N 351.541 2.419 0 40 FEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ncccc1C(N)=O 29371087 CIZQSXOIKUYUQI-UHFFFAOYSA-N 368.315 2.154 0 40 FEAB CCn1cc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cn1 2037980619 BBZYEQHERQTINW-UHFFFAOYSA-N 353.470 2.370 0 40 FEAB Cc1nccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988919 NKXGHQXJQPWRNA-FQEVSTJZSA-N 370.428 2.322 0 40 FEAB C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 1565553281 RNGAHZSUVCLMLP-CDHAZOANSA-N 370.440 2.344 0 40 FEAB COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O 3906625 SCHGCTHHVOICMV-UHFFFAOYSA-N 367.405 2.205 0 40 FEAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1F 5328924 NZMVJWUBTUVQKV-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 9035713 HRKLYVVDJGNEJX-GFCCVEGCSA-N 366.464 2.088 0 40 FEAB O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccccn1 9001143 LPHVIOYHAIQSLP-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCc3cccs3)n2)o1 19216719 LRQYQRIOTHJSQM-NSHDSACASA-N 358.423 2.333 0 40 FEAB NC(=O)C1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 24938872 MKDSIYLDQUGKHL-MRXNPFEDSA-N 351.450 2.353 0 40 FEAB CCCn1/c(=N/C(=O)c2ccco2)sc2cc(S(N)(=O)=O)ccc21 101061434 UGHCMGWDSQELNU-ICFOKQHNSA-N 365.436 2.094 0 40 FEAB COc1ccccc1OCC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 40047428 BXDRRVUWVJDFLR-GJZGRUSLSA-N 350.459 2.078 0 40 FEAB CN1C(=O)N(CC(=O)N[C@@H]2CCc3ccccc32)C(=O)C12CCCCC2 40015956 BAFGIPDACKPOKS-MRXNPFEDSA-N 355.438 2.387 0 40 FEAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1nnc(C2CC2)n1C 40152204 BASQOYSXTRHZSE-VIFPVBQESA-N 368.846 2.147 0 40 FEAB COc1ccccc1CC(=O)NCCNC(=O)c1cn(C)c2ccccc12 32074077 JPHFGNHEMPVTMJ-UHFFFAOYSA-N 365.433 2.276 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)CC(=O)NC(C)(C)C 51872538 VJCQAHSDOPPOHS-QGZVFWFLSA-N 357.454 2.324 0 40 FEAB NS(=O)(=O)Nc1cccc(NC(=O)COc2cccc3ccccc23)c1 32754138 IAVFYVBTUJJUIS-UHFFFAOYSA-N 371.418 2.473 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)CCC2 32778541 JQVBJXZZWRGDSY-GLJUWKHASA-N 371.481 2.313 0 40 FEAB CCOc1ccccc1OCC(=O)Nc1cccc(-c2nnnn2C)c1 32871801 GFCBTRVDZWOXOU-UHFFFAOYSA-N 353.382 2.293 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 2664541 QEENMKOCSSREJI-UHFFFAOYSA-N 361.417 2.333 0 40 FEAB Cc1csc2nc(CNc3ccc4c(c3)N(C)C(=O)CO4)cc(=O)n12 76068997 QDSVBJUCSXFHMT-UHFFFAOYSA-N 356.407 2.032 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79056719 YGFVSEXCIMYTFU-LSDHHAIUSA-N 369.506 2.443 0 40 FEAB O=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2736567 NHJYQRNRXQVGBW-UHFFFAOYSA-N 369.424 2.137 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6879711 XAACCIXWGWLYDZ-UHFFFAOYSA-N 362.451 2.070 0 40 FEAB CC(=O)NCCNC(=O)CSc1cc(C)c(Br)cc1C 22758897 SONLNXCBHTWGPX-UHFFFAOYSA-N 359.289 2.410 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1ccccc1 56068349 LNKCKWZWOCRUDT-CYBMUJFWSA-N 352.481 2.164 0 40 FEAB CN(Cc1cccs1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 8216911 XUBUEAKZZWRVSB-UHFFFAOYSA-N 356.403 2.405 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc12 24033024 MLKAEXNNJDXNJD-AWEZNQCLSA-N 353.382 2.113 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)n(C)c1 12536510 CMJFLMFXARNZDC-UHFFFAOYSA-N 350.444 2.011 0 40 FEAB CCOC(=O)/N=c1/ss/c(=N\C(=S)N(C)C)n1-c1ccccc1 104276878 OCCPLNGXISLYIY-RHDGPOJRSA-N 368.509 2.405 0 40 FEAB Cc1c([C@H](C)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cnn1C 25001387 CLRIEZVYDPQPFG-NSHDSACASA-N 365.393 2.062 0 40 FEAB O=C(CNC(=O)C1CCCC1)NCc1cccc(N2CCCCC2=O)c1 55669819 QSCNTYIKUGKSMR-UHFFFAOYSA-N 357.454 2.126 0 40 FEAB CCN(CC)CCOc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 56381313 ZMKUBUGQPPQWCN-IBGZPJMESA-N 369.465 2.364 0 40 FEAB CCn1c(SCCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 26111183 JAIJHSIGNXFLRW-UHFFFAOYSA-N 365.484 2.457 0 40 FEAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)Nc1ccccc1F 35336333 YEBLSAIIEPSBRH-UHFFFAOYSA-N 374.391 2.435 0 40 FEAB C[C@H](OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 57645920 UMICVTSIOCXLNA-ZDUSSCGKSA-N 367.409 2.068 0 40 FEAB Cc1ccc(C(=O)NCCNS(=O)(=O)CC2CCCCC2)cc1F 72230478 KLDBXJWPUZBDPK-UHFFFAOYSA-N 356.463 2.364 0 40 FEAB CN1CCN([C@@H](CNC(=O)c2ccccc2Cl)c2cccn2C)CC1 21152981 DDMZUAXUFOIDMH-SFHVURJKSA-N 360.889 2.397 0 40 FEAB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)NCc3nnc4ccccn34)CC2=O)[C@@H]1C 12694219 IURXCPBXOBBIJT-WCVJEAGWSA-N 369.469 2.019 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)OCC(=O)N1CCc2ccccc21 3302392 WLDREVSSEKZTDT-UHFFFAOYSA-N 372.808 2.202 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(F)cc1F 3313666 QGXLILSFPPQJGP-IBGZPJMESA-N 371.343 2.297 0 40 FEAB CCCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2147799 VNJVPKGMFBJBJF-OAHLLOKOSA-N 361.394 2.494 0 40 FEAB biogenic CNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](C)c2ccccc2)c1 12818345 VZYBYMTUTAFBPI-GFCCVEGCSA-N 350.415 2.267 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(N2CCCC2)cc1 18709311 NYCDIFBLRHMJOG-UHFFFAOYSA-N 365.481 2.443 0 40 FEAB COc1cc(NS(=O)(=O)c2cccc(F)c2)c(C(=O)O)cc1OC 13267710 LAOHFGDLIBWWRC-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB COc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 6159200 ABGPPNIPIFFKNG-UHFFFAOYSA-N 370.471 2.091 0 40 FEAB Cc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 6995813 WXJLCVZQOKPZSH-UHFFFAOYSA-N 361.392 2.460 0 40 FEAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(F)c(F)c1 7036229 KPAZVYFRGDSRDZ-UHFFFAOYSA-N 363.349 2.377 0 40 FEAB O=S(=O)(NCCCn1cnc2ccccc21)c1ccc2c(c1)OCCO2 7286626 VFRSXJIGELAVEK-UHFFFAOYSA-N 373.434 2.176 0 40 FEAB C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc2c(c1)NC(=O)CO2 68294149 HFJIDNMBXNSWLH-CYBMUJFWSA-N 351.406 2.199 0 40 FEAB CCc1noc([C@@H](C)N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 69026150 FTNHPFYZTZXHOE-LLVKDONJSA-N 350.369 2.429 0 40 FEAB C[C@@H](CO)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 97020694 VJWLYEPRHPZGAS-LURJTMIESA-N 362.167 2.127 0 40 FEAB COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 9420814 TXTVWDMGEPJMSA-AWEZNQCLSA-N 357.366 2.332 0 40 FEAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)C1CC1 9596734 VPCLPERSYQYJNF-LLVKDONJSA-N 359.455 2.074 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 84008610 KFTZTUBLQNHUJR-WBVHZDCISA-N 359.401 2.395 0 40 FEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ncncc1Br 95458765 XWJMIAAHGRJSBI-LBPRGKRZSA-N 352.236 2.167 0 40 FEAB CN(C)C[C@H](O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1 95456503 LYNBGEGFLQCBLA-AWEZNQCLSA-N 361.833 2.193 0 40 FEAB C[C@@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc[nH]n1 95405471 XTVWCJXRZQWEML-SECBINFHSA-N 357.395 2.077 0 40 FEAB Cc1oc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)c1ccccc1F 84964693 MOFQNVYNBRGWSR-UHFFFAOYSA-N 354.403 2.082 0 40 FEAB CC(C)n1c(CCNC(=O)[C@](C)(O)c2cccc(F)c2)n[nH]c1=S 73497208 RCNLDWASMWZZLW-MRXNPFEDSA-N 352.435 2.227 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(c3cnccn3)CC2)cc1 95948622 PNFRQACXOCDQBC-UHFFFAOYSA-N 367.453 2.099 0 40 FEAB COC(=O)NCCCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 89401108 OLKBYUIKYPUSME-UONOGXRCSA-N 374.359 2.476 0 40 FEAB Cn1c(SCC(=O)NCc2cccs2)nc2ccsc2c1=O 26102063 PGWINNHSCRSAOO-UHFFFAOYSA-N 351.478 2.465 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1cccnc1 111999917 BWLCJLPBUGUJHN-HNNXBMFYSA-N 362.328 2.065 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)NCC(C)C 408589872 GFXCSCHUYIJOJQ-UHFFFAOYSA-N 370.515 2.474 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 31928684 QTRSBQAGASOYDU-UHFFFAOYSA-N 360.391 2.299 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(N)=O)c2nnc(-c3ccc(C)cc3)o2)cc1 35681830 OWFUCBCIRSTXCS-OAHLLOKOSA-N 350.378 2.310 0 40 FEAB COCCNc1nc(Nc2ccc(OC)cc2OC)nc2nccnc12 36360590 ZZMICTFGHQILLL-UHFFFAOYSA-N 356.386 2.239 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408595603 QWCQYPKULDVFKE-ZIAGYGMSSA-N 356.488 2.303 0 40 FEAB C[C@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 527659017 NFVJKXBNAVGUBS-WNHJNPCNSA-N 371.529 2.306 0 40 FEAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218550767 CAUHBBBAZUMRKN-HOTGVXAUSA-N 368.861 2.323 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218490549 USVMYHLLOBQKDQ-IKGGRYGDSA-N 351.855 2.278 0 40 FEAB Cc1ccsc1[C@H](O)CNC(=O)C(=O)NCc1ccccc1Cl 70635827 QTGKSKGCRKDMAT-CYBMUJFWSA-N 352.843 2.176 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnc3ccccn23)C1 569067240 JGVOTIFQQLSYSD-SFHVURJKSA-N 355.467 2.337 0 40 FEAB COc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 222815256 OZRTYBHVWFAEIJ-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB COCCN1CC2(CCN(Cc3scnc3C)CC2)C[C@@H]1COC 96207580 UIOOTJDGENXPHU-MRXNPFEDSA-N 353.532 2.401 0 40 FEAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)s1)C2 253381336 DJNKLLATQYIJST-ZDUSSCGKSA-N 357.497 2.031 0 40 FEAB COCC1(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CCC1 585081220 PLBQNZKMFKGZHZ-UHFFFAOYSA-N 364.393 2.022 0 40 FEAB CC(C)c1nc2cc(-n3cc(C(=O)N(C)C)ccc3=O)ccc2n1CCO 257311672 UKORILWXKIUGAD-UHFFFAOYSA-N 368.437 2.005 0 40 FEAB Cc1cc(C[C@H]2COCCN(C(=O)CCOc3ccccc3)C2)ncn1 257258367 KTOLDUNGEVDDAT-QGZVFWFLSA-N 355.438 2.272 0 40 FEAB NC(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccc(F)cc1 257272893 NEGJRDHTZPFJSW-FZMZJTMJSA-N 363.414 2.067 0 40 FEAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccc(F)c1 85467687 RFZWIQYCBXQVIF-QGZVFWFLSA-N 359.376 2.331 0 40 FEAB CCn1ncc2cc(C(=O)N[C@](C)(C(=O)O)c3ccccc3)c(C)nc21 663141104 JHQSWUCAXNIFES-IBGZPJMESA-N 352.394 2.489 0 40 FEAB CN1CCc2c(NS(=O)(=O)c3cc(F)cc(F)c3)cccc2C1=O 1259312270 BPMSNJIQJSRCQO-UHFFFAOYSA-N 352.362 2.394 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)c1 1301934140 POIDPLQUIMIRTE-UHFFFAOYSA-N 364.210 2.102 0 40 FEAB CCOc1cc(C(=O)N(CC)[C@@H]2CCN(C(=O)CCC3CCC3)C2)[nH]n1 1775996668 CPOKYHZMFNTQAY-OAHLLOKOSA-N 362.474 2.452 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C3CCCCC3)[nH]n2)o1 1775957051 AQSCRLCRZHLFQL-IUODEOHRSA-N 359.430 2.351 0 40 FEAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(-c2nnnn2C)c1 608021769 LPBBJYAXNUMMPQ-QGZVFWFLSA-N 369.450 2.151 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CCCC3)C2)c1 575402454 AOEYGEHPOISZMI-GOSISDBHSA-N 352.438 2.447 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)nc3C2)n(C)n1 585111681 FHOXQHINENDUGV-ZIAGYGMSSA-N 371.485 2.393 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)COc2cccnc2)C1 585275505 BWCHFXQURCKZPD-FQEVSTJZSA-N 356.422 2.465 0 40 FEAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)[C@@H]1CCCS1 585098411 XQYVWRVNINYGLJ-OLZOCXBDSA-N 359.455 2.051 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCO[C@@H]2CCCC[C@H]21 55423108 IFCWOQDPLDSKOM-QZTJIDSGSA-N 353.422 2.080 0 40 FEAB Nc1ncnc2cc(C(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)ccc12 1639920520 QKKRSRGBLKFPKW-GFCCVEGCSA-N 372.375 2.071 0 40 FEAB Cc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3ccsc3n12 12114225 AQEBQCFTHOXXAV-UHFFFAOYSA-N 358.448 2.397 0 40 FEAB O=C(NCCCO)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156904 KFZOPZUJRHEUFT-MRXNPFEDSA-N 364.417 2.004 0 40 FEAB Cc1nn(-c2ccccc2)c(=O)c2c1[C@@H](c1ccccc1)n1nnnc1N2 15079683 ZKJHWGAWTSLMDS-QGZVFWFLSA-N 357.377 2.222 0 40 FEAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)NC(=O)N3)sc2C1 19082477 RYXJPGSEEBGFJN-KOLCDFICSA-N 364.471 2.221 0 40 FEAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1c[nH]nc1C 19582439 MDTSZEUEKQRXQT-GUDVDZBRSA-N 370.428 2.476 0 40 FEAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)C1CCCC1 19697284 ULROIBUURHGGLT-UHFFFAOYSA-N 352.438 2.352 0 40 FEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccccc1C(=O)O)[C@@H]3C2 103659979 UJCSAJNSMWSFHF-OMPKRAJASA-N 363.435 2.365 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225736612 HHGUBUVLLRQHPO-UHFFFAOYSA-N 368.485 2.105 0 40 FEAB CCOc1ncccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 19531435 HEEMCHWUOSWNQM-KRWDZBQOSA-N 367.453 2.236 0 40 FEAB COc1ccccc1-c1ccc(N2CC(N(C)Cc3nc(C)no3)C2)nn1 1888897103 BFAHAZOSHIUCRP-UHFFFAOYSA-N 366.425 2.164 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(c4nccn5nccc45)C[C@@H]3C2)nn1 1888897371 TXNDOEXVKFVTJZ-GJZGRUSLSA-N 363.469 2.389 0 40 FEAB CC(=O)c1ccccc1OCCSc1nnc(C2CC2)n1CCC(N)=O 23365151 BGUUIXILPMFCES-UHFFFAOYSA-N 374.466 2.405 0 40 FEAB CN(C(=O)[C@H]1CCOC1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1776009784 QIMLJVXMFHLJDO-ZDUSSCGKSA-N 374.391 2.105 0 40 FEAB Cn1cccc(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1=O 1565549009 LFLYMPHKESYYDK-LJQANCHMSA-N 371.462 2.106 0 40 FEAB Cc1ccc(-c2nn(CCC(=O)O)cc2/C=C2\SC(=N)NC2=O)cc1 4269638 ASDSRQQQBCVSCY-JYRVWZFOSA-N 356.407 2.472 0 40 FEAB Cc1cccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)cn34)n(C)c2=O)c1 4370459 VZYGNTUNUYIZIG-UHFFFAOYSA-N 365.437 2.395 0 40 FEAB O=c1c(=O)n2c(nn1C/C=C/c1ccccc1)N(c1ccc(F)cc1)CC2 8848842 RQNBXLDHVWSOGN-QPJJXVBHSA-N 364.380 2.409 0 40 FEAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3)CC2=O)cc1 9035970 FSUBOXYDFMABDS-OAHLLOKOSA-N 374.462 2.417 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12441556 QVVCRFQYYABGKW-GOSISDBHSA-N 360.435 2.407 0 40 FEAB Cn1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1=O 13695483 PWARZTGKJHMBCA-UHFFFAOYSA-N 363.373 2.434 0 40 FEAB C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)c2ccccc2C1=O 17247395 UQAHVJZYAYUPJN-HNNXBMFYSA-N 369.465 2.148 0 40 FEAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCOCC2)cc1 23157290 ZQQHSYIFSRVFPE-AWEZNQCLSA-N 360.439 2.235 0 40 FEAB CCCC(=O)/N=c1\sc2cc(S(C)(=O)=O)ccc2n1CCOCC 100873579 DQSKARPGRFEBEF-MSUUIHNZSA-N 370.496 2.370 0 40 FEAB CCNC(=O)c1nc(C(=O)N2CCN(c3cccc(C)c3)CC2)cs1 49408686 MXLSBBNUNYCAIR-UHFFFAOYSA-N 358.467 2.164 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(=O)N3CCCC3)c1)CS2 30479285 YGXIIAOZMIJZCH-DNVCBOLYSA-N 373.478 2.315 0 40 FEAB COc1cc(OC)cc(C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 40013057 YVUZBMXHWWYFBF-MRXNPFEDSA-N 373.405 2.410 0 40 FEAB COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)o1 32841431 CIOKXWHLQNMXOU-UHFFFAOYSA-N 352.412 2.365 0 40 FEAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCOCC2)nc1 29833755 XIKVBSWUBUHCNJ-MRXNPFEDSA-N 353.378 2.159 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)NC(C)C)c2)CC1 32914137 XZHIQXWLZPLFJO-UHFFFAOYSA-N 362.430 2.131 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cccc(Br)c1 33042000 VDANGQMSWDSQTN-ZYHUDNBSSA-N 354.248 2.417 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCCc2ccccc2)C1 3893352 HDRQJSZCCUNXEC-DLBZAZTESA-N 353.491 2.385 0 40 FEAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CN2CSCC2=O)cc1 52973234 VPZRDBNSFXUTLO-OAHLLOKOSA-N 364.467 2.027 0 40 FEAB COc1cc(N[C@H]2CC(=O)N(CCC(C)C)C2=O)ccc1N1CCCC1=O 103022484 REUGLHIOMSRBIF-HNNXBMFYSA-N 373.453 2.408 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6764367 MGMSYISBMQMPMW-WOCWXWTJSA-N 350.374 2.200 0 40 FEAB COC(=O)CCN(C(=O)Cn1cnc2c(C)cccc2c1=O)C1CCCC1 58014518 DAVBOPWPBBHVLH-UHFFFAOYSA-N 371.437 2.039 0 40 FEAB Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCCc2ccccc21 643503 SURBWMKGKVUPTL-UHFFFAOYSA-N 369.450 2.421 0 40 FEAB CCCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)n[nH]c1=O 8707762 OYHQSQIWVWUBBG-NSHDSACASA-N 352.485 2.499 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 58611666 TVENNFSYNPYABD-UHFFFAOYSA-N 351.449 2.232 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@@H](C)c2ccccc2OC)c1 24534976 WJEDKEPRNUDCRD-LBPRGKRZSA-N 358.394 2.059 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612517 DBAZXSNWXBGMJB-UHFFFAOYSA-N 356.463 2.236 0 40 FEAB CC(C)c1ccc(CN2CCN(C(=O)CCN3CCOC3=O)CC2)cc1 55127821 JNCSAUMDYUYCLD-UHFFFAOYSA-N 359.470 2.297 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)NC[C@H]2CCCN(C(C)C)C2)CC1=O 106161295 HAJDQSOMGWCZLP-SJORKVTESA-N 373.497 2.285 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2nnc3n2CCC3)c1 24969097 BNDYTXQFHNBCCW-UHFFFAOYSA-N 358.427 2.032 0 40 FEAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1cc(C(F)(F)F)c[nH]c1=O 102771478 REFCCWHLKGLHOM-JTQLQIEISA-N 351.284 2.458 0 40 FEAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(C(N)=O)cc1 25701460 HAVSXGJSWSZSFK-CYBMUJFWSA-N 366.421 2.351 0 40 FEAB CCCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1 107670057 DMCNKECGZMBQMC-UHFFFAOYSA-N 365.484 2.356 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1cc(F)cc(F)c1 58180981 ULLUWRPVLFEDKZ-UHFFFAOYSA-N 359.380 2.311 0 40 FEAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cc(C)nn1C 58357510 CKGHBRQWEBSJPZ-UHFFFAOYSA-N 367.409 2.451 0 40 FEAB CCOCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741226 OOCCCHDRBSGGTG-LLVKDONJSA-N 354.476 2.298 0 40 FEAB CC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 11740037 FHBIVOAEIRNHKN-AWEZNQCLSA-N 359.817 2.051 0 40 FEAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29539323 NLXJPMACXAHMLG-SJORKVTESA-N 357.385 2.135 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)NCCNS(=O)(=O)c1ccccc1 12909407 JYUBFOVXLYNKSJ-UHFFFAOYSA-N 371.462 2.195 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 13252247 VEPZIFRHYOIIJU-UHFFFAOYSA-N 368.455 2.301 0 40 FEAB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 13394807 VDLJGIWRIFOWCQ-VLEAKVRGSA-N 373.718 2.043 0 40 FEAB COc1cc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc(OC)c1 5387950 MWGXHYAZHMTXRN-UHFFFAOYSA-N 355.350 2.159 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1=O 6650829 PZQFVAMVPRKNFS-HXUWFJFHSA-N 365.389 2.283 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 4727432 GIIWZOFPGXZVGV-MRXNPFEDSA-N 371.462 2.233 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)NCCc2ccc(F)cc2)cc1 6834593 AOCGHPLUTSXHSF-UHFFFAOYSA-N 373.428 2.064 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CCOCC2)CC1 23041537 ZUPWJPPIKURYAB-UHFFFAOYSA-N 359.422 2.306 0 40 FEAB COCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 9194016 XYWZRXHNDMJFLE-UHFFFAOYSA-N 355.398 2.199 0 40 FEAB O=c1c(/C=c2\sc3nc4ccccc4n3c2=O)coc2ccc(O)cc12 9124023 DBRPOCCCUDGBMW-APSNUPSMSA-N 362.366 2.269 0 40 FEAB COc1cccc([C@@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC(=O)N2C)c1 72405131 CBYOHLFGLIRGGZ-KBXCAEBGSA-N 364.405 2.152 0 40 FEAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303421 OVFJCMFLDNCEDT-ZDUSSCGKSA-N 363.414 2.260 0 40 FEAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9303333 OMPWKHKHGNHKOJ-ZDUSSCGKSA-N 363.414 2.260 0 40 FEAB COc1cc(F)cc(CNC(=O)NCc2ccc(-n3ccnc3)nc2)c1 94017627 ZWUYMVGSZOZEFZ-UHFFFAOYSA-N 355.373 2.414 0 40 FEAB CC1CCN(C(=O)c2ccc(N3CCC[C@@H]3c3nncn3C)nc2)CC1 95453340 GLIVBFQFNSHUBO-MRXNPFEDSA-N 354.458 2.424 0 40 FEAB O=C(CN1CCC(Cc2cccnc2)CC1)NCc1ccc2c(c1)OCO2 95458267 WOAJQACTKJIINU-UHFFFAOYSA-N 367.449 2.381 0 40 FEAB CCOc1cc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)ccc1OC 83724420 IVVLIPSGCAWMMM-AWEZNQCLSA-N 359.430 2.328 0 40 FEAB COc1ccccc1C(=O)CNC(=O)c1cccc(OCC(F)F)n1 95977242 HPZZWZNDJSMMGY-UHFFFAOYSA-N 350.321 2.347 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC=C(c2c[nH]c3ccccc23)CC1 42868545 IUXJBEWAMFMUTG-CQSZACIVSA-N 359.451 2.154 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3ncccn3)cn2CCN1CC1CCCC1 306129502 IFELXDHEXAXGBO-HNNXBMFYSA-N 368.485 2.099 0 40 FEAB O=C(CN1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1)N1CCCC1 36391060 XFACUTRTRFARBH-FQEVSTJZSA-N 370.497 2.087 0 40 FEAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1C)C2 32124335 JNGMLROHOKYHAG-UHFFFAOYSA-N 364.405 2.334 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)s1 36071104 CCLGXHUMVYYBFI-HNNXBMFYSA-N 362.476 2.187 0 40 FEAB O=C(c1ccc(Cl)s1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238957087 YBPKQNDUOJJYDM-QWRGUYRKSA-N 350.827 2.177 0 40 FEAB CCCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44903948 DDCYOOOQJHNLMK-INIZCTEOSA-N 367.515 2.486 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362727 QENKOKWRURVVDB-CQSZACIVSA-N 372.400 2.250 0 40 FEAB O=C(Nc1ccc(C(=O)NCCC(=O)N2CCCCC2)cc1)NC1CC1 48363703 RYGXPSSZWHPZOP-UHFFFAOYSA-N 358.442 2.103 0 40 FEAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(C2CC2)n[nH]1 225763883 KPDXHNDWOYHDJZ-UHFFFAOYSA-N 365.422 2.383 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1NC(C)=O 225760954 OZIYAXUDWFZZPF-HUUCEWRRSA-N 372.512 2.291 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223566517 ZZENTZKJTQIXBD-ROUUACIJSA-N 365.462 2.232 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 226388869 SKTLOHGDCDQMBF-BLONOQDTSA-N 354.381 2.189 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 223347379 SIIOBNLTYJRDEO-KRWDZBQOSA-N 360.435 2.460 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1C 222411948 AHOXZZUUWXAPPA-VTUFONIJSA-N 350.418 2.359 0 40 FEAB Cc1ccc(C(=O)N2CCn3nnc(COc4cccnc4)c3C2)cc1F 96256016 ZXNFXPYJKQQGTE-UHFFFAOYSA-N 367.384 2.356 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)NC1CCCC1)C2 96237873 XJTRPDHWSUGUCT-HXUWFJFHSA-N 356.470 2.062 0 40 FEAB Cc1ccc(CC(=O)N2CCc3c(CN4CCCC4)nn(C)c3C2)cc1 96255890 XQRNCAMAPLRNON-UHFFFAOYSA-N 352.482 2.452 0 40 FEAB CCOCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@H]2COC 247909508 YBXMTGKOSOTWJI-KRWDZBQOSA-N 366.527 2.472 0 40 FEAB COc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COc2ccccn2)c1 248140604 PRUVOAHEHWIPCQ-INIZCTEOSA-N 354.406 2.400 0 40 FEAB CC(=O)N[C@@]12CN(CC3CC3)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257250147 JLFQMMSNTQZITL-NJDAHSKKSA-N 355.482 2.197 0 40 FEAB Cc1nc(CC(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)cs1 257209349 BQBCDRRKVRPGKI-VNQPRFMTSA-N 357.483 2.157 0 40 FEAB Cc1cc([C@H]2CCCCN2S(=O)(=O)c2cccnc2)nc2ccnn12 257303697 SIIORYQAXJAHFU-MRXNPFEDSA-N 357.439 2.349 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260808044 FBEMCAWLUBJHAB-AYMQEEERSA-N 366.483 2.155 0 40 FEAB COC(=O)c1cn(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c2ccccc12 609509012 DJTUTTZGTLOTEB-OAHLLOKOSA-N 355.438 2.123 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2CN3C(=NC2=O)N(N)c2ccccc23)cc1C 618256015 DJUVDGVPSBMOPY-AWEZNQCLSA-N 363.421 2.345 0 40 FEAB CNC(=O)C[C@@]1(O)CCCN(Cc2c(F)cccc2Br)C1 643757484 NKVWIDQBZQHQGP-HNNXBMFYSA-N 359.239 2.051 0 40 FEAB Cc1ccc(COc2ccccc2C=c2sc3n(c2=O)CCN=3)cc1 585680328 NYFITZIGUVFUKF-UHFFFAOYSA-N 350.443 2.259 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)c1 585278934 WXGLXPZTVKYTHG-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cccc(O)c1 585098725 YAOOIXJDTGTRAF-CYBMUJFWSA-N 368.437 2.017 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2cc(O)nc(C)n2)C1 585275595 DRARCJCYQWIYGK-IBGZPJMESA-N 357.410 2.109 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@H]2c2cn3cccc3c(N(C)C)n2)cn1 585178756 HRODNCQYAXXMAV-MRXNPFEDSA-N 350.426 2.476 0 40 FEAB CC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1OCC(=O)NC 56333964 UVNGJQXTHHCFHU-HNNXBMFYSA-N 357.410 2.223 0 40 FEAB O=C1NC2(CCN(C(=O)CSc3ccncc3)CC2)Nc2ccccc21 12117903 YHZVHBAPTPNCHU-UHFFFAOYSA-N 368.462 2.348 0 40 FEAB COCCN(C(=O)c1ccncc1)c1nc2c(s1)CCc1c-2cnn1C 12146072 HSLTWCAUQJUMLS-UHFFFAOYSA-N 369.450 2.330 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCc3ccccc32)c1=O 12146737 KBSVFXBMZKMGMW-UHFFFAOYSA-N 352.419 2.143 0 40 FEAB Cc1ccccc1CC(=O)N1CCc2nc(-c3cnccn3)nc(O)c2C1 12258430 KDZAJRQZXZRXCX-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB COc1cccc(CNC(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)c1 14035269 UGHHSKKDAYGUAV-CQSZACIVSA-N 359.451 2.222 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 19660885 HNBCPZYCKHVZCF-LBPRGKRZSA-N 365.393 2.233 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc2ccccc2s1 10023791 ORXQYKCAWAMVIW-WCQYABFASA-N 350.465 2.395 0 40 FEAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)on1 5565968 RYNMNIYTHWWJNK-UHFFFAOYSA-N 371.393 2.451 0 40 FEAB O=S(=O)(c1ccc2[nH]c(Cc3ccccc3)nc2c1)N1CCOCC1 6498402 RHSYHCZHAIMSIF-UHFFFAOYSA-N 357.435 2.175 0 40 FEAB Cc1noc(CN2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)n1 1888863787 QWAHAPKYGZWMIR-UHFFFAOYSA-N 356.474 2.276 0 40 FEAB COc1cccc(-c2cc(C(=O)N3CCC(n4nccn4)CC3)n(C)n2)c1 238847732 ISMPMGHVZLDLKE-UHFFFAOYSA-N 366.425 2.165 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CCN(Cc4csc(C)n4)CC[C@H]3C2)n(C)n1 2056223304 FGEVCXBLHXZUMK-IYBDPMFKSA-N 373.526 2.478 0 40 FEAB O=C1C[C@]2(CCCCN2C(=O)c2csnn2)CN1Cc1ccccc1 1614935015 SVBLOBNSXQHVDO-GOSISDBHSA-N 356.451 2.336 0 40 FEAB O=C1C[C@]2(CCN(C(=O)C3(F)CCC3)C2)CN1c1ccc2c(c1)OCCO2 1565548132 SUALOKPSYYEVJK-IBGZPJMESA-N 374.412 2.305 0 40 FEAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2nccs2)C(=O)C1 1565523434 OHSQWQVYXCHLGB-UHFFFAOYSA-N 352.419 2.423 0 40 FEAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CCCN4C3)cc21 758908 VVTRSWANRODQKW-GFCCVEGCSA-N 359.401 2.491 0 40 FEAB COC(=O)COc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12 2712408 NASNIFNYQPLZHQ-UHFFFAOYSA-N 372.421 2.002 0 40 FEAB NC(=O)CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4328590 DLUMUFWLCNEEBQ-UHFFFAOYSA-N 362.358 2.387 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 4941261 MOWMYDNLFOCTDM-OAHLLOKOSA-N 355.456 2.439 0 40 FEAB Cc1cccc(Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 9001154 ZBCDRMFGOGCYCX-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB COc1cc(C(=O)N[C@H]2Cc3ccccc3NC2=O)cc(OC)c1OC 15083701 NVAIOQJJPUKURG-AWEZNQCLSA-N 356.378 2.006 0 40 FEAB biogenic,in-vitro O=C(c1cc2cc(F)ccc2s1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965633 HJQOGEXXRQYHHT-UHFFFAOYSA-N 374.372 2.459 0 40 FEAB COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(Cl)ccc21 101337874 GELBWEMBVYMUKP-ICFOKQHNSA-N 350.831 2.477 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCCC2=O)cc1 30399178 FZYWWMGSWGWXKI-UHFFFAOYSA-N 372.446 2.147 0 40 FEAB COc1ccc(CNCc2ccnc(N3CCOCC3)c2)c(OC)c1OC 30900359 MWXRQXGPEURHKD-UHFFFAOYSA-N 373.453 2.234 0 40 FEAB CCCC[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 20412552 QSEXFRAUXUBYPQ-ZDUSSCGKSA-N 361.394 2.418 0 40 FEAB biogenic CCN1c2nc3ccccc3cc2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C 20621720 KULMUQNOHNVSLD-LBPRGKRZSA-N 366.421 2.043 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2F)cc1 1016089 PZONKBOELXESJT-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB O=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1 1238131 SNZBTIJDZIZYTJ-UHFFFAOYSA-N 353.451 2.172 0 40 FEAB O=C(NCCNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cccnc1 77552994 YKUITXUZIIFDSU-INIZCTEOSA-N 370.428 2.225 0 40 FEAB O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)NCc1ccccc1 3513642 SKKQICRFBWIUOM-UHFFFAOYSA-N 363.373 2.418 0 40 FEAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(CCc2ccccc2)C1 33117500 MYIQVNJHQASVAI-RBUKOAKNSA-N 364.445 2.198 0 40 FEAB COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1OC 7728844 XFSQGWSMOSOEGL-UHFFFAOYSA-N 356.488 2.104 0 40 FEAB Cc1nc(C(=O)N(Cc2nccn2C)C2CC2)nn1-c1ccc(F)cc1 47237927 NVVMFOFWNXNRMZ-UHFFFAOYSA-N 354.389 2.253 0 40 FEAB Cc1nc(C)c(CCC(=O)/N=c2\sccn2Cc2ccccc2)c(=O)[nH]1 103193547 SFCCRELVIJZDPS-QOCHGBHMSA-N 368.462 2.358 0 40 FEAB CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10111634 UEPVTVWQUNCVGW-IBGZPJMESA-N 373.478 2.345 0 40 FEAB CCOc1ccc(OCCC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1 41941154 YIVPOXVSOVDQIM-HZPDHXFCSA-N 350.459 2.080 0 40 FEAB CCOc1ccccc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O 10449154 PEBOFHRJSRJNIN-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB CCNc1nc(NCC)nc(S[C@H](C(C)=O)C(=O)Nc2ccccc2)n1 985034 UYVHJINDVBEFHI-CYBMUJFWSA-N 374.470 2.424 0 40 FEAB CC(C)(C)C(=O)N1CCC(C(=O)NCCc2cn3ccccc3n2)CC1 23320167 SJZBCGHDVCSXEH-UHFFFAOYSA-N 356.470 2.278 0 40 FEAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccn2)C3)c(OC)n1 100728437 JXQGDZYMGGCTLY-HUUCEWRRSA-N 370.453 2.009 0 40 FEAB CCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 12556984 VDYFYEPLEVRDLQ-UHFFFAOYSA-N 368.480 2.300 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)s1 25382183 XAFKTIKVCFGAIO-INIZCTEOSA-N 372.446 2.181 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CNC(=O)Nc1cccc(C)c1 107340530 SPMXMYMWXVUXJK-PVAVHDDUSA-N 373.453 2.449 0 40 FEAB CC(=O)c1c[nH]c(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 57453926 DCOJLLANPPMMEE-ZDUSSCGKSA-N 370.327 2.406 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 57652326 QSQXYDSRCGCFMX-UHFFFAOYSA-N 363.391 2.023 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 55555156 WILYOBVTJOEKMD-UHFFFAOYSA-N 360.435 2.369 0 40 FEAB CCN1CCN(C(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 58158374 DTSWEHXUCXPATM-UHFFFAOYSA-N 370.453 2.026 0 40 FEAB CCOc1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1 44803956 IZKUYMAUJYLEQD-UHFFFAOYSA-N 350.378 2.343 0 40 FEAB Cc1nc(CN2CCC3(CC2)CC(=O)N(Cc2csc(C)n2)C3)c[nH]1 108527736 BOKVKBQGNLDBIZ-UHFFFAOYSA-N 359.499 2.498 0 40 FEAB CC(C)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccs1 58266207 WQTHMRPIAFWDLX-KGLIPLIRSA-N 358.529 2.070 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc2c(c1)CCC2 100466749 FOUAYSBWKIMSHD-GHSJJHLASA-N 362.429 2.167 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(=O)OC)cc1 2258099 FQBBBKJBCNNLRB-QMTHXVAHSA-N 374.418 2.295 0 40 FEAB CCCNC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 2265365 YVLXJJPFNLPGOS-GFCCVEGCSA-N 353.426 2.486 0 40 FEAB O=C(Nc1ccc(Cn2cc(Cl)cn2)cc1)c1nc2ncccn2n1 36618727 VXBJUXSRGVZAET-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 3436894 HGTXARSHWFXFSQ-JTQLQIEISA-N 357.318 2.328 0 40 FEAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(N(C)C)cc1 3408662 IXRBJROWHDXLID-LBPRGKRZSA-N 370.409 2.427 0 40 FEAB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N1CCOCC1 12967763 BELNDGRYPPBVQS-CQSZACIVSA-N 359.378 2.263 0 40 FEAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)n1 12908253 CLZZKPCNVHLFJA-GFCCVEGCSA-N 370.500 2.069 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 13021675 YDSBBOUTMBWHNR-UHFFFAOYSA-N 351.453 2.134 0 40 FEAB COCCSc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 5060977 JWEDFPBDFJPAIR-UHFFFAOYSA-N 369.424 2.023 0 40 FEAB COc1ccc(CNC(=O)c2c(Br)cnn2C)cc1OC 28576829 YJDXJONCDOVBAS-UHFFFAOYSA-N 354.204 2.130 0 40 FEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 14135315 NJIIGXHCMYXOFS-SFHVURJKSA-N 359.332 2.371 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(c2nccs2)CC1 14350765 HNFBYDKMVZUOPK-AWEZNQCLSA-N 368.462 2.307 0 40 FEAB Cc1sc2ncnc(N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1C 14330868 SVGSLMVAWOFBEU-AWEZNQCLSA-N 360.483 2.383 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CSc2nnc3n2CCCCC3)n1 6606935 VPJNWFVHNPETBJ-UHFFFAOYSA-N 362.503 2.116 0 40 FEAB COc1ccccc1Nc1nnc(S[C@H](C(C)=O)C(=O)N(C)C)s1 4883280 BUFHFBNKVLZRKL-GFCCVEGCSA-N 366.468 2.428 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3cccs3)ccc21 7780339 DIJKQGBAGXYGOO-UHFFFAOYSA-N 350.465 2.390 0 40 FEAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCS(=O)(=O)C1 8073945 CZIFLRDWLXYZIW-CQSZACIVSA-N 374.466 2.045 0 40 FEAB CCN(CCc1ccccn1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 70036488 PDMLZZIHLLMQOT-UHFFFAOYSA-N 362.433 2.391 0 40 FEAB CN(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 17794386 MDMAUDASLTWUOD-SFHVURJKSA-N 368.412 2.024 0 40 FEAB COc1ccc(C(=O)NCC2CCCCC2)cc1S(=O)(=O)NC1CC1 9613697 LEICNIDGYGZXQK-UHFFFAOYSA-N 366.483 2.446 0 40 FEAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 9846114 YZNGCKLSIJHLIZ-UHFFFAOYSA-N 368.474 2.435 0 40 FEAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(c2ncccn2)CC1 96983414 CYPNVANFRGYBHF-HNNXBMFYSA-N 362.437 2.174 0 40 FEAB CN(C)C[C@@H](O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1 95456504 LYNBGEGFLQCBLA-CQSZACIVSA-N 361.833 2.193 0 40 FEAB Cn1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)n1 306140358 URDISVVVRSOCIU-GOSISDBHSA-N 369.450 2.160 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339031 RUVXEPUYLJAVQG-GIQLZXEWSA-N 358.438 2.094 0 40 FEAB O=C(O)c1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2)c1 217505690 JRWZFWLMCRGQFN-UHFFFAOYSA-N 362.407 2.022 0 40 FEAB Cc1cc(C)n(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 44159306 NQQVVMRXARENTI-UHFFFAOYSA-N 363.361 2.377 0 40 FEAB COc1cccc(N(C)C(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 226040985 SDVUWSBZEFQHEZ-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB CC(C)(C)CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225423892 NBXFPCVGQJRCNJ-UHFFFAOYSA-N 353.532 2.305 0 40 FEAB biogenic,in-vitro Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN(C)CC(F)(F)F 48325242 QIHYDZKSOWVGRS-UHFFFAOYSA-N 366.405 2.013 0 40 FEAB O=C(Nc1nccs1)c1nnn(-c2ccc(Br)cc2)n1 75163770 KJKDUGUXPTVBNL-UHFFFAOYSA-N 351.189 2.134 0 40 FEAB CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223681082 DIAKGXYMXGMAQR-UHFFFAOYSA-N 367.239 2.005 0 40 FEAB Cn1nc(CNC(=O)c2ccccc2Br)c2c1CCOC2 96104006 LRXMSCSMNVGDFD-UHFFFAOYSA-N 350.216 2.185 0 40 FEAB CCN(CC(=O)O)C(=O)C1(c2ccc(Br)cc2)CCOCC1 95978134 OOXQFOGRKYVKKH-UHFFFAOYSA-N 370.243 2.430 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)N=C1C 96261499 VQTAMMOTUCOJNS-IMFGXOCKSA-N 359.445 2.313 0 40 FEAB CCn1nc(C)c(NC(=O)COCc2nc(-c3cccnc3)no2)c1C 96182069 VPMLGRRMPHGKPY-UHFFFAOYSA-N 356.386 2.120 0 40 FEAB O=C(O)c1nn(-c2ccccc2)nc1N1CCN(c2ccccc2F)CC1 256046708 HPEAXSZXOWQEIJ-UHFFFAOYSA-N 367.384 2.431 0 40 FEAB CC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257221985 DRKBHAUBJAXJIJ-KBAYOESNSA-N 358.442 2.292 0 40 FEAB O=C(Cc1cccs1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257234691 GUQYIWPWJFMYCW-HXUWFJFHSA-N 356.491 2.312 0 40 FEAB O=C(c1cnn2c(-c3ccc(F)cc3)ccnc12)N1CCC(CO)CC1 257321735 WDAFHJLSOCNVLN-UHFFFAOYSA-N 354.385 2.380 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccnc(-c3nccs3)c2)C1 257288535 PUONETLIKLXIPT-ZDUSSCGKSA-N 352.485 2.191 0 40 FEAB CNC(=O)c1cc(O[C@H]2CCCN(c3nc(C)nc4[nH]ccc34)C2)ccn1 624380202 YBZKSGQHRUCLPO-AWEZNQCLSA-N 366.425 2.069 0 40 FEAB O=C(O)COc1ccc(NC(=O)[C@@H]2CCc3ncncc3C2)cc1Cl 649246248 YNEMMQZBCRPJDR-SNVBAGLBSA-N 361.785 2.337 0 40 FEAB COc1ccc(CNC(=O)Cn2cnc(Cc3ccccc3)n2)cc1OC 664110851 MYZOLVJQPAOIKF-UHFFFAOYSA-N 366.421 2.203 0 40 FEAB Cc1nnc2c(N3CCC(NC(=O)OCc4ccccc4)CC3)nccn12 390830812 NPFDBHKBHPCBNM-UHFFFAOYSA-N 366.425 2.328 0 40 FEAB Cc1nccc(N2CC[C@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)n1 585180125 FXNFZQZSOPSPIX-LBPRGKRZSA-N 368.466 2.485 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)c1 585271619 IANHYXZZVMSPKC-NRFANRHFSA-N 355.434 2.279 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)s1 585103374 VDDAMHHDALMMES-AWEZNQCLSA-N 370.540 2.119 0 40 FEAB CO[C@]1(COc2ccccc2C)CCCN(C(=O)Cc2nonc2C)C1 585279552 ZQXMWPCUATYCHW-LJQANCHMSA-N 359.426 2.316 0 40 FEAB O=C(NC[C@H]1CCCO1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112732 UQTMNJZTNQUOJV-QZTJIDSGSA-N 370.453 2.023 0 40 FEAB CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3ccncc3Cl)cc2)C1=O 1530438049 XPEHNVDWAOVMKE-QGZVFWFLSA-N 358.785 2.384 0 40 FEAB COCCCNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 12222508 QRNUZYHIKBBOLC-UHFFFAOYSA-N 361.467 2.413 0 40 FEAB Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(CO)o3)n2)c1 15674377 GFCACLADNXYBIU-PBHICJAKSA-N 355.394 2.438 0 40 FEAB biogenic,in-vitro O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 16011761 DJLFQOGKQHIIKW-HOCLYGCPSA-N 370.748 2.361 0 40 FEAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)cc2)CC3)C[C@@H](C)O1 19497587 LOTAVFGYBMYJGD-ZIAGYGMSSA-N 372.444 2.493 0 40 FEAB COc1ccc(N2CC[C@H](NC(=O)c3ccc4[nH]cnc4c3)C2=O)cc1 169793013 JNSRBBDOZDLVGJ-INIZCTEOSA-N 350.378 2.107 0 40 FEAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)n1 1888860294 NYQRUUJOGJUGET-STQMWFEESA-N 374.514 2.345 0 40 FEAB O=C1[C@H](N2CC[C@H](Oc3ccncc3Br)C2)CCN1C1CC1 1849482380 NZGQWOINKLGTGX-GXTWGEPZSA-N 366.259 2.061 0 40 FEAB CNC(=O)CN1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912187 GKWQFZZNJCTRIX-GOSISDBHSA-N 354.878 2.299 0 40 FEAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1614930745 YGNQBORUNRDQAL-CQSZACIVSA-N 361.442 2.088 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)CC4(O)CCC4)C2)CO3)cn1 1614940489 OBPFRUGLGJQNJQ-HXUWFJFHSA-N 367.449 2.255 0 40 FEAB CCc1ncc2n1-c1ncccc1NC21CCN(C(=O)c2cc[nH]n2)CC1 1565549610 VQPSUIJMQKQGSH-UHFFFAOYSA-N 363.425 2.110 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)NCCc2ccccc2)cc1C 9571317 CCSIIJGSTLPSFI-UHFFFAOYSA-N 350.426 2.321 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751172 PARJOHWYPIPUST-IBGZPJMESA-N 356.426 2.158 0 40 FEAB COC(=O)N1CCN(CCNC(=O)NCc2cccc3ccccc23)CC1 44227244 XQCGWYBTQQWBQN-UHFFFAOYSA-N 370.453 2.023 0 40 FEAB COC(=O)N1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 44227519 CICZVUYADGWTJQ-UHFFFAOYSA-N 374.363 2.211 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cnsn2)CC1 585148771 HECGSBWGSWGALC-UHFFFAOYSA-N 358.876 2.011 0 40 FEAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccnc1OC 206800427 MNHYNRVMKNCMTA-WFASDCNBSA-N 374.368 2.064 0 40 FEAB Cc1nc(C(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cs1 606440921 UZDCGEDVNXYAEW-SNVBAGLBSA-N 369.244 2.298 0 40 FEAB Cn1ccc2c(N3CCN(c4nccc(-c5ccncc5)n4)CC3)ncnc21 2298084949 QCYLMECPNLDEAW-UHFFFAOYSA-N 372.436 2.147 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(C(N)=O)cc1 14034087 ULAVGGSGDQQAGV-ZDUSSCGKSA-N 372.450 2.141 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(N2CCOC2=O)cc1 40093998 REASBKVCZROQBB-UHFFFAOYSA-N 363.377 2.154 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)nc3c2c(O)nn3C)c1 32712984 GRPVLNNTQIJGCM-NSHDSACASA-N 370.409 2.491 0 40 FEAB Cc1sc2ncnc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)c2c1C 29831559 TZLIFZCCDYMPFA-CABCVRRESA-N 362.499 2.457 0 40 FEAB COc1cccc([C@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2nccn2C)c1 8746618 DXOLVHGVJJQHFG-KRWDZBQOSA-N 352.394 2.479 0 40 FEAB C[C@@H](OC(=O)CCCNc1ncccn1)C(=O)Nc1ccc(Cl)cn1 32928473 UMXYIBDEZMJMEH-LLVKDONJSA-N 363.805 2.288 0 40 FEAB Cc1nc(-n2[nH]c(=O)c3ccccc3c2=O)c2c3c(sc2n1)CCC3 1514839 CPZNZFXJPPOJFO-UHFFFAOYSA-N 350.403 2.481 0 40 FEAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3609684 DJHCMOLCBFVZAS-UHFFFAOYSA-N 358.463 2.473 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 6051123 BUIPRHGGTJATHI-UHFFFAOYSA-N 356.488 2.306 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC1 6725927 JCXUZJYVQWEMRD-JFRXWTBNSA-N 356.466 2.386 0 40 FEAB CC(C)(C)c1ncc(C(=O)Nc2cnn(CCN3CCOCC3)c2)s1 103100597 DPSYGGULKQKAFZ-UHFFFAOYSA-N 363.487 2.222 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)CC(NS(=O)(=O)C1CC1)C2 108525981 YCAAEQOXZJRRAF-UHFFFAOYSA-N 355.529 2.278 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 8085332 ARULLUUBPJKASX-CQSZACIVSA-N 368.499 2.452 0 40 FEAB CN(C)c1nc(N)nc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 12543069 ZRPSLSCOFSIZNO-UHFFFAOYSA-N 368.470 2.270 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccccc3F)C[C@H]1O2 107264578 VHYKJQHVLUHDMS-YQVWRLOYSA-N 355.413 2.126 0 40 FEAB CCC(CC)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 25338214 YCYXJMWIWKDWIQ-UHFFFAOYSA-N 357.454 2.292 0 40 FEAB Cc1ccc(CN(C)C(=O)CCn2nnc3ccccc3c2=O)c(C)c1 25597718 SWXJCZWBBAMJLJ-UHFFFAOYSA-N 350.422 2.457 0 40 FEAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccc2c(c1)OCO2 100128100 GSPZMMKGIXQKHQ-HUUCEWRRSA-N 370.405 2.461 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1C 12601893 JEQHNDUCJGTJNY-PHIMTYICSA-N 350.415 2.364 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2OC)cc1 3385635 YRYHGDMUCCUYBF-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccn(Cc2cccnc2)n1 58223170 BCVCBKJECLXHQC-LBPRGKRZSA-N 355.423 2.145 0 40 FEAB O=C1COc2cc(C(=O)N3CCN(Cc4cccs4)CC3)ccc2N1 27999292 IPBBBOOKQJVPFI-UHFFFAOYSA-N 357.435 2.037 0 40 FEAB C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc2c(c1)OCO2 27685324 JNJPUPBTHCNJSL-LLVKDONJSA-N 373.434 2.419 0 40 FEAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(CCO)C3=O 2241864 KAZZQTPYVBRVJR-QGZVFWFLSA-N 351.358 2.345 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)sc2C1 11448508 DBJZEMBSTXXZJZ-SNVBAGLBSA-N 373.434 2.365 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)c2ccccc2O1 12913197 PQPPOIFBDDNABE-KSSFIOAISA-N 354.406 2.303 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@H]4CCCO4)c3)C(=O)[C@H]2C1 408687379 USDNMOCIXBEOGD-SQNIBIBYSA-N 368.433 2.441 0 40 FEAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CCCC1 17356231 SJPCSNUTIFPDMJ-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 3896016 LQGOTVNDIDVEAX-MRXNPFEDSA-N 366.414 2.278 0 40 FEAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccccc1 6140029 APALXMGMQGMJIW-UHFFFAOYSA-N 373.463 2.373 0 40 FEAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1ccc2c(c1)OCO2 5155073 OTDFNVZSFKJTMU-UHFFFAOYSA-N 373.312 2.248 0 40 FEAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCO2 5325177 WFNBRHAQZSFYCI-JTQLQIEISA-N 368.311 2.473 0 40 FEAB CCOc1ccc(N2C(=O)c3ccc(C(=O)NCCOC)cc3C2=O)cc1 14244388 PNBLHZWSGPNWOA-UHFFFAOYSA-N 368.389 2.262 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1cccc(Cl)c1 6510741 MCRDXZWJBSRBHM-UHFFFAOYSA-N 352.843 2.325 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccn1 14848628 MLIWRTCNVVOMEA-UHFFFAOYSA-N 350.304 2.336 0 40 FEAB COC(=O)[C@](NC(=O)c1cccnc1)(Nc1nc(C)cs1)C(F)(F)F 8994779 KMEHPXNNTLJPIV-ZDUSSCGKSA-N 374.344 2.120 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 8944963 IQLJFEFNZOORGG-KRWDZBQOSA-N 373.478 2.415 0 40 FEAB COc1cccc(Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2N)c1 4934492 DMRXJJIGULYCCC-UHFFFAOYSA-N 359.336 2.448 0 40 FEAB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N3CCNC3=O)nc21 7187602 ITDZMWVHJZGAER-SNVBAGLBSA-N 370.438 2.032 0 40 FEAB CCCCn1c(=O)c(CCC(=O)O[C@@H]2C[C@H](C)OC2=O)nc2ccccc21 7392496 XXIXGLARYXJOJM-SUMWQHHRSA-N 372.421 2.376 0 40 FEAB CNC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 24781996 NLMVYZAZTHWSCT-NSHDSACASA-N 368.275 2.234 0 40 FEAB Cc1ccc(NC(=O)CNC(C)(C)C)cc1S(=O)(=O)N1CCCCC1 16473553 SBKSUACEWRLQPX-UHFFFAOYSA-N 367.515 2.496 0 40 FEAB C[C@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1cccnc1 8346249 YSUMOJCCORHOEG-VOMSXAGXSA-N 359.451 2.239 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F 9342558 RMOUTKAFVOONLM-UHFFFAOYSA-N 358.341 2.411 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 72281025 FUCWZEGZTCYXNG-MJGOQNOKSA-N 372.465 2.398 0 40 FEAB O=C(O)[C@H]1COCCN1C(=O)c1cc2cccc(Br)c2o1 88373701 PDPNKUGJAUEHSH-SNVBAGLBSA-N 354.156 2.121 0 40 FEAB CN(C)C(=O)COc1ccccc1C(=O)Nc1cnn(-c2nccs2)c1 89312005 DJRSRIGHAZJKEC-UHFFFAOYSA-N 371.422 2.048 0 40 FEAB CNC(=O)Cn1ccc2ccc(NC(=O)c3c[nH]c(C)c(Cl)c3=O)cc21 89505489 HGWHAVNOKRZABW-UHFFFAOYSA-N 372.812 2.290 0 40 FEAB CCc1nnc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)s1 26439881 SULXDWXLEAFCNU-UHFFFAOYSA-N 373.482 2.064 0 40 FEAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 306134446 NNPMQLWXGMZHHC-UHFFFAOYSA-N 368.485 2.042 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2cccc3nonc23)C1 36579846 GBYCFUIFOBXNKV-NEPJUHHUSA-N 367.434 2.201 0 40 FEAB CN(C)c1ncc(NC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cn1 516658622 RAMUFCSBMZJWCU-IBGZPJMESA-N 367.409 2.184 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1C 524732437 DAMCZRLRFMBPHD-UHFFFAOYSA-N 366.410 2.378 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccccc2F)cc1 32521446 UOVCGQIHGFBMKK-UHFFFAOYSA-N 364.442 2.325 0 40 FEAB CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 32350449 MOCQAQLWVNIAAQ-QAPCUYQASA-N 362.433 2.441 0 40 FEAB COCC(=O)N1CCN(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)CC1 134086744 APWWJHFPYNKOLD-MRXNPFEDSA-N 361.486 2.241 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 61535429 PHUFIMQDMCPBAI-GFCCVEGCSA-N 366.845 2.490 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1N1CCCC1=O 44901370 GORHNYQTQWDZIW-GZBFAFLISA-N 364.467 2.289 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)n1 223353836 KZIAQEFTMFXWCS-AWEZNQCLSA-N 353.378 2.248 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)CC2)C(=O)O 226861349 AORIJEBEWNQRLS-CQSZACIVSA-N 365.476 2.423 0 40 FEAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 40267341 UMDQKMSWEDOFHB-PVAVHDDUSA-N 355.438 2.493 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(C)c1 226390229 SRQKXODYLGHJSE-VWQYPGANSA-N 350.418 2.359 0 40 FEAB c1csc(CN2CCO[C@]3(COCCN(c4nccs4)C3)C2)c1 96076870 ZRAMUZDYSSPSIO-MRXNPFEDSA-N 351.497 2.312 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOc2ccccc2F)C1 583618729 AQVCLDMGSQLNJU-HIFRSBDPSA-N 357.389 2.104 0 40 FEAB O=C(NCC(F)(F)F)c1nc2c(N3CCCC3)nc3ccccc3n2n1 96264233 VFCPCJBWDXTSPD-UHFFFAOYSA-N 364.331 2.170 0 40 FEAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC(=O)N3Cc2ccncc2)n1 96056607 XASPEFYFSAYFPU-MSOLQXFVSA-N 350.422 2.191 0 40 FEAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1ccccc1F)C2)N1CCCC1 247743195 PGQTYQYWBGECDR-QGZVFWFLSA-N 362.445 2.198 0 40 FEAB COC(=O)[C@@H]1CCC2=C3CC[C@]4(O)C[C@H](O)CC[C@]4(CO)[C@@H]3CC[C@@]21C 253596983 YVGMAPVRFOPJJK-NZEXHFJGSA-N 364.482 2.331 0 40 FEAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@H]2CCc3ncncc3C2)c1 649251615 ISHMSTWRFCCGLT-RNODOKPDSA-N 369.421 2.096 0 40 FEAB Cn1c(=O)c(CNC(=O)N2CCO[C@](C)(C(F)F)C2)cc2ccccc21 661223615 JLGWVQBQPQYYMP-SFHVURJKSA-N 365.380 2.104 0 40 FEAB COc1c(C)cnc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)c1C 1775957237 KGDAQLQFPVLIEG-ZBFHGGJFSA-N 357.458 2.207 0 40 FEAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575423326 PFQMFYRPJQDHJW-HUUCEWRRSA-N 359.513 2.280 0 40 FEAB NC1(CNC(=O)c2cccc(C(=O)O)c2)CCN(Cc2ccccc2)CC1 582497910 HKHHGNFMAFMQKJ-UHFFFAOYSA-N 367.449 2.108 0 40 FEAB COCCCn1c(SCc2nc3cc(Cl)ccc3n2C)n[nH]c1=O 53507360 ALFYYUMBGADFQI-UHFFFAOYSA-N 367.862 2.440 0 40 FEAB CC(C)NC(=O)CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 57156147 GWQNCYWKYPVUHV-UHFFFAOYSA-N 373.526 2.217 0 40 FEAB COCCn1ccc2c(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cccc21 1565525019 WVCNMYCLSKPEBZ-CQSZACIVSA-N 357.454 2.417 0 40 FEAB O=C(NCCc1ccccc1F)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000150 URPPOASFZHRJQI-WMZOPIPTSA-N 371.412 2.152 0 40 FEAB CN(C)c1ccc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)cc1 12114357 WNPABSYNYYVAQO-UHFFFAOYSA-N 354.454 2.070 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cccnc3)CC1)O2 12225567 NMXOGZDVQKSQRN-UHFFFAOYSA-N 351.406 2.187 0 40 FEAB CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 12816370 WXLVJPWWZPETBL-WQLSENKSSA-N 356.350 2.460 0 40 FEAB Cc1cc2c(cc1NC(=O)c1c(F)cccc1F)n(C)c(=O)c(=O)n2C 13364509 OFZJADIKNLQIJK-UHFFFAOYSA-N 359.332 2.076 0 40 FEAB CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)C1 19017054 KIHDLSGJCXLELQ-MRXNPFEDSA-N 356.470 2.277 0 40 FEAB Cc1cc(N2CCN(C(=O)C(C)(C)n3cncn3)CC2)nc2ccccc12 19118940 LVMFMAPGGBEAMT-UHFFFAOYSA-N 364.453 2.219 0 40 FEAB C[C@@H](CC(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1)n1cccn1 19455369 MVTKYVNRLAWGNE-YJBOKZPZSA-N 368.485 2.366 0 40 FEAB COc1cccc(CCNC(=O)CC2CCN(Cc3ccnn3C)CC2)c1 19748406 ONHSRQQFQBPBEY-UHFFFAOYSA-N 370.497 2.390 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCNC(=O)c2cccs2)C1 36395834 PJXBWUPEISBVHT-HUUCEWRRSA-N 351.516 2.352 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC1CCCCC1 3600818 FRALLNYCPHWNAN-HXUWFJFHSA-N 355.438 2.219 0 40 FEAB Cc1nc(C)c(-c2ccc(N3CCN(c4ncc(F)cn4)CC3)nn2)s1 1888890524 ZRPBCLLLTQUZJG-UHFFFAOYSA-N 371.445 2.473 0 40 FEAB CC(C)c1ncnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1F 1889116537 CMKDRPXXWMYEGY-GASCZTMLSA-N 368.412 2.361 0 40 FEAB CCOC(=O)CCC(=O)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238955559 XWZZBGQUMWGMNW-GFCCVEGCSA-N 371.231 2.167 0 40 FEAB COCCOc1ncccc1CNC(=O)c1ccnc(OCC2CC2)c1 244975057 HZVQGRWCBCBEJZ-UHFFFAOYSA-N 357.410 2.221 0 40 FEAB Cn1cc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037980961 OTHOOUFTXINRGK-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sccc1C(=O)NC 4585759 UDLPMFGPZSBMEA-UHFFFAOYSA-N 352.437 2.154 0 40 FEAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(-n2nc(C)cc2C)n1 9623181 FULXKBASMXASOZ-UHFFFAOYSA-N 369.400 2.386 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 10326544 WVLWBVGJLZKSIV-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB Cc1nc(CN2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cs1 30003149 INKDNSMATXCJFP-UHFFFAOYSA-N 374.297 2.090 0 40 FEAB O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 40107954 XKTUPNVEMWKVJA-OALUTQOASA-N 370.493 2.495 0 40 FEAB O=c1c(CN2CCc3ccccc3C2)coc(O)c1CN1CCSCC1 101375012 OGMVXVACRNIEJW-UHFFFAOYSA-N 372.490 2.453 0 40 FEAB CCc1noc(C)c1C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 32719153 OLQIXDBVHXANKF-UHFFFAOYSA-N 363.414 2.419 0 40 FEAB C[C@@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCCO2 32718845 KKHDTZFRYPAPSJ-KZULUSFZSA-N 368.389 2.425 0 40 FEAB COCCOc1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1 32825716 ONHPHICFVTUHQL-UHFFFAOYSA-N 373.434 2.270 0 40 FEAB Cc1cc(CN2CCN(C(=O)CCCc3nc(C(C)C)no3)CC2)on1 46742546 AWZRVKMYMWMIJZ-UHFFFAOYSA-N 361.446 2.157 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nncn1-c1ccccn1 933977 CUMNUKVKVGHVJC-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 33163358 JIDWIIKDUGLODC-CJNGLKHVSA-N 352.438 2.462 0 40 FEAB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 6948605 XBIVPQREFRLMAX-LFIBNONCSA-N 351.362 2.125 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 7604479 LKQSMZGDZFLJRR-UHFFFAOYSA-N 368.499 2.326 0 40 FEAB CC(C)[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC(N)=O 7737384 FVZWFOYDNVBQNI-INIZCTEOSA-N 357.410 2.423 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H](C)n3ccnc3)nn2c(O)c1C 100138833 QJUFVMRCRFDAIP-ZFWWWQNUSA-N 354.414 2.173 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1)C1CC1 10269771 SVQXGFWIDMXBPM-UHFFFAOYSA-N 356.451 2.454 0 40 FEAB COc1ccc(CC[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 58192947 XKHLWNGDAAJLPZ-GFCCVEGCSA-N 351.472 2.345 0 40 FEAB CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)N1C[C@H](C)O[C@H](C)C1 106153793 LIGHVNDXCUCKEQ-FUHIMQAGSA-N 374.529 2.432 0 40 FEAB O=C(COC(=O)c1ccc[nH]1)NC(=O)Nc1ccc(Br)cc1 12567797 GUTHLLNHVHZUOC-UHFFFAOYSA-N 366.171 2.282 0 40 FEAB Cc1cccn2cc(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)nc12 58421787 FPXXFWBXUYOMJC-UHFFFAOYSA-N 358.348 2.218 0 40 FEAB Cn1ncc2c(=O)n(C[C@@H](O)Cn3c4ccccc4c4ccccc43)cnc21 25250306 CNEKRLITRIAXKC-CQSZACIVSA-N 373.416 2.299 0 40 FEAB COc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccco3)CC2)cc1 58180829 DJINZXNYONCEMP-UHFFFAOYSA-N 371.437 2.255 0 40 FEAB CNC(=O)[C@H]1CCCN1CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 72580620 IQCJSWRAUHIFAB-MRXNPFEDSA-N 372.494 2.191 0 40 FEAB O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(Br)o1 102228891 MXAFDENZRPKKEB-UHFFFAOYSA-N 366.196 2.425 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(N2CCCC2=O)c1 20926412 AKAQPFNMWMJLEI-INIZCTEOSA-N 352.390 2.383 0 40 FEAB CC(C)[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(F)cc1 11295938 XUVKWXUMBQVLGP-SFHVURJKSA-N 369.400 2.082 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 45615866 GCBFHHUQMPRKRR-KRWDZBQOSA-N 372.469 2.093 0 40 FEAB COC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1 62222628 OYPVFNBYGOHEHY-UHFFFAOYSA-N 369.421 2.311 0 40 FEAB C[C@@H](NC(=O)c1ccccc1I)C(=O)NC(C)(C)C 48303013 BNUTZCHMDZHTPC-SECBINFHSA-N 374.222 2.324 0 40 FEAB COc1ccc2c(c1)[C@](O)(c1c(C)nn(-c3ccc(F)cc3)c1N)C(=O)N2 12804572 UXLUBVUFLDHIBK-IBGZPJMESA-N 368.368 2.099 0 40 FEAB NC(=O)[C@@H]1CN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CCN1 12897212 KQUWRHQAZIEJPX-ZDUSSCGKSA-N 373.869 2.275 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3460627 DHKRUVKTMCKGMN-HXUWFJFHSA-N 365.389 2.295 0 40 FEAB Cc1cc(N2CCCC[C@H]2C(=O)N2CCOCC2)nc(-c2ccccn2)n1 72310973 NRRLJMLKJSFJJU-KRWDZBQOSA-N 367.453 2.065 0 40 FEAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326762 ZPIUYCOPFPQJKG-UHFFFAOYSA-N 368.393 2.385 0 40 FEAB COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@]3(C)O2)ccc1Cl 4156736 ATODAEUNOWKXRM-HLNSBACISA-N 361.781 2.350 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CC)CC2)cc1 26976625 YKUSDRHUZSPXIO-CQSZACIVSA-N 368.499 2.401 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)ccc1Br 14186550 CHCZRPNOBJVEDD-GFCCVEGCSA-N 361.261 2.120 0 40 FEAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5418990 AQANGOCDUPFBBY-UHFFFAOYSA-N 368.455 2.342 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccn2)n(C)c1 9469732 XENBCUZHYLUGSH-UHFFFAOYSA-N 350.444 2.011 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 7345909 CUAKJAJAVAHDIR-ZIAGYGMSSA-N 368.499 2.403 0 40 FEAB O=C(O)C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCO1 91292883 YXHXDOHKVHKUJZ-VIFPVBQESA-N 362.607 2.418 0 40 FEAB O=C(CN1CCCSc2ccccc21)N1CCN(c2ncccn2)CC1 8160718 PJCGLGHISKBBRY-UHFFFAOYSA-N 369.494 2.128 0 40 FEAB Cc1ccc(NCC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCCC1 9339317 SSEROBYFVNTDLR-UHFFFAOYSA-N 367.515 2.496 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 9316551 HEHKGNDTFBJBAC-QGZVFWFLSA-N 361.785 2.016 0 40 FEAB C1Cc2c(c(CN3CCOCC3)c3c(c2CN2CCOCC2)CCC3)C1 19802248 AEGITEIJXLRZQB-UHFFFAOYSA-N 356.510 2.328 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccccn1)C(F)(F)F 19944368 XAJIRNOGVRIQTH-HNNXBMFYSA-N 353.300 2.355 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)NC[C@@H](c3ccco3)N(C)C)CC2=O)cc1 9605003 DSRNCOZYGBUFHK-MSOLQXFVSA-N 369.465 2.356 0 40 FEAB O=C(c1cc2ccccc2cc1O)N1CCC(C(=O)N2CCOCC2)CC1 9752870 MOXUYKQIPKQFBY-UHFFFAOYSA-N 368.433 2.256 0 40 FEAB C[C@@H]1CC[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@@H]1C(=O)Nc1cnc2ccccc2c1 96845554 OINQIRAXZYARQJ-HWHUXHBOSA-N 351.406 2.450 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 27745405 LSYWUFJKTCJQMU-RHSMWYFYSA-N 362.401 2.376 0 40 FEAB CCOC(=O)c1cnn2c(O)cc(CN(C)CCc3ccccc3F)nc12 68864616 PSBXXFZIUSPIEA-UHFFFAOYSA-N 372.400 2.425 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NC4CCCC4)nc3[C@@H]2C)n(C)n1 306133719 MTOPZXNMNIDISW-HNNXBMFYSA-N 370.501 2.103 0 40 FEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217516532 AXXTXQVNEFOAOJ-CQSZACIVSA-N 370.471 2.444 0 40 FEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2ccncc2)CC1=O 36367155 XYMADQOCVDYDAT-CYBMUJFWSA-N 359.813 2.413 0 40 FEAB NC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccc(Br)s3)o2)C1 32773887 HIBFORDFAOTQIR-MRVPVSSYSA-N 371.260 2.258 0 40 FEAB Cc1cccc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)n1 72389577 GXTGHCDFQFYJGW-AWEZNQCLSA-N 353.470 2.268 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 46317510 IBKDYXPCVYHISZ-SMDDNHRTSA-N 368.380 2.022 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccncc1)CC(O)=N2 40266526 FANYPJQJUGEVCF-ZDUSSCGKSA-N 360.381 2.445 0 40 FEAB COc1ccc2c(c1)CN(C(=O)C1CCOCC1)CC[C@H]1COC(=O)N21 225490403 VOJQSMZCPHBURV-HNNXBMFYSA-N 360.410 2.179 0 40 FEAB biogenic,in-vitro COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224827732 YQWIJORWVBCYDN-UHFFFAOYSA-N 365.407 2.300 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2cccnc2)CC1 48260971 YJCSHGZPXGTOAY-UHFFFAOYSA-N 357.888 2.303 0 40 FEAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CCc4cc(F)ccc43)C2)nn1 572782361 TUTRHIPJWBVLLF-UKRRQHHQSA-N 358.373 2.009 0 40 FEAB COc1cc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)ccc1C 48354731 LBCXAAOKGGOJPV-UHFFFAOYSA-N 361.486 2.066 0 40 FEAB S=C(NCc1ccc2c(c1)OCO2)Nc1cnc(Br)cn1 224045728 QNHVHRHRPLAXSC-UHFFFAOYSA-N 367.228 2.454 0 40 FEAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225109512 DBJRTAQEQLFZLB-UHFFFAOYSA-N 371.361 2.342 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1 96207174 WYOBLNRPHPTLQZ-CQSZACIVSA-N 353.426 2.079 0 40 FEAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 96112973 MSSSPHLNHRQFRF-RBUKOAKNSA-N 369.440 2.394 0 40 FEAB biogenic,in-vitro O=C(c1ccncc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96073612 RWEQEDMNQSTZNU-QUCCMNQESA-N 353.422 2.457 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(CC3CCOCC3)CC[C@H]21)Nc1cccnc1 96209452 XXZSPGAFCCFOMI-BHIYHBOVSA-N 359.470 2.174 0 40 FEAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2cccn2C)CC3)c1 96051713 PTNRYITXVMRXAO-KRWDZBQOSA-N 354.454 2.178 0 40 FEAB Cc1ccc2c(c1)[C@@]1(N[C@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 95346216 YYDFFHKIEHTPIA-CMBDLQSPSA-N 369.465 2.170 0 40 FEAB COCCN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC(C)C 96230376 OXTKONVPXHPSAK-UHFFFAOYSA-N 374.529 2.176 0 40 FEAB CCc1cnc(N2CCC3(CC2)CN(c2ccc4c(c2)OCO4)C3=O)nc1 96202976 WMULYVWPYFURIP-UHFFFAOYSA-N 366.421 2.401 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 96218027 DBGLTRJBEJQSDK-HXUWFJFHSA-N 353.470 2.362 0 40 FEAB Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)c2)n[nH]1 585082749 XGGAWZXQDCFTSI-GDBMZVCRSA-N 355.442 2.203 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 247818553 CIQWWNYOAHIGRF-MRXNPFEDSA-N 369.421 2.076 0 40 FEAB Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 248058328 ZKIDNTKCUKCTHX-HNNXBMFYSA-N 366.425 2.349 0 40 FEAB Cc1ncc(C(=O)N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 257263949 LSEFEOINGZTAIA-ICSRJNTNSA-N 353.422 2.375 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)COc1ccccc1F 257317461 VJVCVEBHCGOIGS-OAHLLOKOSA-N 359.401 2.163 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 252013401 UIXDPEXXTYQUFB-HNNXBMFYSA-N 369.425 2.458 0 40 FEAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]1Cn1cncn1 602308477 PBUQYGMNWWAJID-QAPCUYQASA-N 372.448 2.118 0 40 FEAB O=C([C@H]1CC[C@H](C2CC2)N1)N1CCC(C(=O)N2CCc3ccccc32)CC1 653080125 YWQRFSOATCQOPA-RTBURBONSA-N 367.493 2.345 0 40 FEAB O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653330483 GDBSLEGKCSIKJK-DLBZAZTESA-N 364.401 2.395 0 40 FEAB O=C(O)C1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC2(CCC2)C1 659120814 BXXOOHMGSWCIFL-UHFFFAOYSA-N 358.373 2.262 0 40 FEAB Nc1nc(N)c2nc(SCc3ncc(Br)cc3F)[nH]c2n1 1166845945 DQSRSBXSVQDZFB-UHFFFAOYSA-N 370.211 2.106 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1noc2ccc(F)cc12 648511775 VRJCPBQWUQQYJP-KRWDZBQOSA-N 367.380 2.209 0 40 FEAB O=C(O)c1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)ccn1 485660362 WXXAUFOOALYSRY-UHFFFAOYSA-N 359.426 2.081 0 40 FEAB O=C(NCCn1nc2c(cc1=O)CCC2)c1nc(-c2cccs2)cs1 585150581 UMSZUDQVFGASBV-UHFFFAOYSA-N 372.475 2.347 0 40 FEAB COc1ccc(OC)c2c1CN(Cc1cnn(-c3ccccc3)n1)C[C@@H]2O 48236476 UVRLMDSPZUTCHR-KRWDZBQOSA-N 366.421 2.334 0 40 FEAB O=S(=O)(NCc1noc(-c2ccco2)n1)c1cccc(Cl)c1O 1664179432 ONUWJFAGMUVOML-UHFFFAOYSA-N 355.759 2.167 0 40 FEAB O=c1cc(CSc2nnnn2-c2cccc(F)c2)nc2sccn12 5795924 PIJSIQNAIZHCFH-UHFFFAOYSA-N 360.399 2.163 0 40 FEAB COc1ccc(C2(NC(=O)COc3ccc4nncn4n3)CCCC2)cc1 12197632 YJZISAJEDMGJJR-UHFFFAOYSA-N 367.409 2.097 0 40 FEAB C[C@H](O)CNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12220727 SEJSXTDUFHHJNF-ZDUSSCGKSA-N 362.401 2.317 0 40 FEAB CC[C@@H](C(=O)NCCCOC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713655 MFRAMKZMBVSWJB-KRWDZBQOSA-N 370.515 2.471 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(F)cc1 15717963 QOFCTUVMASTOQE-UHFFFAOYSA-N 362.426 2.208 0 40 FEAB COc1cccc2c(C)nc(NC3=NCN(Cc4ccccn4)CN3)nc12 19330694 FSAMIGPZLMAMIL-UHFFFAOYSA-N 363.425 2.130 0 40 FEAB CCOc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@@H]1CCO)O[C@@H](C)C2 19532420 SELGONPKGMFWIJ-SNRMKQJTSA-N 360.498 2.440 0 40 FEAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccc(-c2cnn(C)c2)cn1 19691778 GYUQBFADEGYQSW-KRWDZBQOSA-N 363.487 2.206 0 40 FEAB O=C(N[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1)c1cnccn1 19749727 BBNOAGBBEWSFHS-QGZVFWFLSA-N 370.428 2.359 0 40 FEAB COc1cccc(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1 575607921 LIWKPHDIZSKFMX-UHFFFAOYSA-N 352.438 2.254 0 40 FEAB Cc1nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)cc(C(C)(C)C)n1 1888842729 GRBPSTSXHYMXDS-UHFFFAOYSA-N 355.486 2.103 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)nn1 1888856555 TVUGIQMBDUOLCA-HOTGVXAUSA-N 351.454 2.378 0 40 FEAB Cc1noc(CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n1 1849316617 NBGOWKYUDOARPA-UHFFFAOYSA-N 353.426 2.309 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839748 CCEZFDZLAKBHES-FQEVSTJZSA-N 369.396 2.177 0 40 FEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1 828356 AJDNKVUWMKDAJW-UHFFFAOYSA-N 363.417 2.302 0 40 FEAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1 4139803 VEWKXSZAFCNVAX-UHFFFAOYSA-N 359.389 2.228 0 40 FEAB COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(OC)c(OC)c1 4751475 SUCOMIFIMIQSRV-NHYWBVRUSA-N 350.367 2.076 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)CCCOc2ccc(F)cc2)CC1 12440754 ZCQQBNRTHQYDIW-UHFFFAOYSA-N 373.446 2.200 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c2c1OCO2 15086041 MSBOVCBIPZNDAZ-UHFFFAOYSA-N 359.334 2.456 0 40 FEAB CCOC(=O)[C@](NCc1ccc(OC)cc1)(NC(=O)CC)C(F)(F)F 19939227 SRUJCLNXOUODBH-HNNXBMFYSA-N 362.348 2.133 0 40 FEAB CN(Cc1cnc[nH]1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974840 SNGNKXKLBXCPMR-UHFFFAOYSA-N 356.380 2.466 0 40 FEAB CC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)CC1 585410231 YBVJJXAVFPRHPG-HXUWFJFHSA-N 366.465 2.153 0 40 FEAB Cc1csc2nc(Cn3cnc4sc5c(c4c3=O)CCC5)cc(=O)n12 10497769 UHGRWOWQNSWCPT-UHFFFAOYSA-N 370.459 2.373 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2ccnc2)nc1 40043034 DTDHKIZNGPVTFB-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB NC(=O)c1cnc(NCc2ccc(CN3CCOCC3)cc2)c(Cl)c1 40149445 YETCTSCZFIGJPD-UHFFFAOYSA-N 360.845 2.278 0 40 FEAB Cc1ccccc1CN1CCCN(C(=O)CCNC(=O)c2ccco2)CC1 31766779 YRTXTXFJTOADNV-UHFFFAOYSA-N 369.465 2.442 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)s2)NC(=O)N[C@H]1C 32679658 FIYVIKDRSICKDW-VIFPVBQESA-N 357.863 2.352 0 40 FEAB Cc1cc(OCC(=O)NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc(C)c1Cl 102403956 FSFYESIJGXUIFN-ZIAGYGMSSA-N 362.813 2.318 0 40 FEAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(N2CCOCC2)nc1 32883660 HRQSWEKHKWZWKN-UHFFFAOYSA-N 372.406 2.387 0 40 FEAB O=S(=O)(NC1CCN(C[C@@H]2CCCCO2)CC1)c1ccc(F)cc1 29933981 DOIITZBSYPDJSS-INIZCTEOSA-N 356.463 2.138 0 40 FEAB CC(C)c1cccc(-n2cc(O)c(C(=O)N[C@H]3CCC(=O)N(C)C3)n2)c1 79054370 IYEHCFZPXGRWCS-AWEZNQCLSA-N 356.426 2.052 0 40 FEAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCCCCC1 21897541 CRWADWPHMVUQGN-INIZCTEOSA-N 366.483 2.160 0 40 FEAB C[C@@H]1CCCN(CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 46878511 XRVONLIMLOQZGD-OAHLLOKOSA-N 353.507 2.482 0 40 FEAB CCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1 6818273 RWBGWGLPEPCEDD-UHFFFAOYSA-N 354.457 2.492 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 108528341 AYZHVMFMZLMRDL-UHFFFAOYSA-N 358.467 2.440 0 40 FEAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2cccc(C)c2)cc1 8476390 IVGTYFINUZRIPN-UHFFFAOYSA-N 366.421 2.364 0 40 FEAB CCOc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 102479120 ICFKJYWFCAMOHS-RBSFLKMASA-N 366.483 2.156 0 40 FEAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc2[nH]nnc2c1 24529045 CXMBKTURUXVIMM-UHFFFAOYSA-N 358.785 2.355 0 40 FEAB COc1cccc(CN(C)C(=O)Cn2cnc3cc(F)ccc3c2=O)c1 24511412 SGQZYAMMUYUDHX-UHFFFAOYSA-N 355.369 2.203 0 40 FEAB CCOCCCNC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 12556739 YNBDUXSOTJZYNI-OAHLLOKOSA-N 355.504 2.314 0 40 FEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 25009092 PWGDMJDGPUEICN-CYBMUJFWSA-N 365.368 2.398 0 40 FEAB CCc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1 56060376 DTJLFTCQPCPLGU-UHFFFAOYSA-N 367.496 2.353 0 40 FEAB N#C[C@@H](C(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 35467955 BLAKKOCHXXKWEV-AWEZNQCLSA-N 355.354 2.168 0 40 FEAB Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 177205544 VVBCJHREMGDCAX-UXHICEINSA-N 368.481 2.084 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 107197894 ZQGNQMXVMYRYIU-RBUKOAKNSA-N 355.413 2.336 0 40 FEAB CN(CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 53214424 HBCOLISOUUWTKR-UHFFFAOYSA-N 373.478 2.228 0 40 FEAB Cc1cccc(OCC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 58200871 XPCJORAZUNTSRQ-LJQANCHMSA-N 367.449 2.462 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)cc2C)CCO1 58291491 DLTAOYRGVLLWBK-AWEZNQCLSA-N 361.471 2.009 0 40 FEAB CN(CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 58264850 MICBUKUJDZRXMG-PBHICJAKSA-N 364.511 2.034 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 2146294 ADXMEDXXZXKINF-PDOICOKGSA-N 357.406 2.181 0 40 FEAB biogenic Cc1ccc(C(=O)NCCOc2ccccc2C)cc1NS(C)(=O)=O 108569258 DOJNQDPLZNEXPU-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1OC 10008865 LWGSJUOMZITTPX-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)COc1ccccc1 20258798 ATZMTSNPAZTWOX-UHFFFAOYSA-N 360.391 2.285 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 10749920 JQPHFKCTQXCWNH-WCQYABFASA-N 352.818 2.469 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1C(=O)c2ccccc2C1=O 10891237 BUMKNTIFVKPHPJ-PXAZEXFGSA-N 367.357 2.054 0 40 FEAB COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1OC 2328985 UOBJQNNITJVIJC-HNNXBMFYSA-N 358.394 2.199 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CCS(=O)(=O)c2ccccc21 11001635 NUFSCGRMFXLHHS-MRXNPFEDSA-N 357.431 2.199 0 40 FEAB CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)CC)cc3)ccc21 11542718 AJILBMHLNDARJJ-UHFFFAOYSA-N 358.423 2.497 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 29266381 CGHPQKFRZFSWGO-UHFFFAOYSA-N 365.433 2.220 0 40 FEAB O=C(NCCNC(=O)c1ccco1)NCCOc1ccc(Cl)cc1 29317446 MXIRXAIWDRUVMY-UHFFFAOYSA-N 351.790 2.041 0 40 FEAB Nc1nc(N)nc(CSCCOc2ccc(Br)cc2)n1 8936175 OLMXENASTABULY-UHFFFAOYSA-N 356.249 2.111 0 40 FEAB CCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 13624421 YPQMTIREMGAABB-UHFFFAOYSA-N 355.441 2.371 0 40 FEAB CC(C)(C)c1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc(C(C)(C)C)c1O 4338273 IYIYTHBFRQYSPT-CVEARBPZSA-N 369.527 2.235 0 40 FEAB COc1cccc(NC(=O)COc2coc(CN3CCCC3)cc2=O)c1 71284134 LRTWCUSJFIIXRS-UHFFFAOYSA-N 358.394 2.262 0 40 FEAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc2c(c1)n(C)c(=O)n2C 71282001 ZYUZFFSNWLYWKS-NSHDSACASA-N 355.398 2.071 0 40 FEAB CCCn1c(SCC(=O)NCCCOCC)nc2ccccc2c1=O 9114102 GVXMBZBYVBJVSB-UHFFFAOYSA-N 363.483 2.441 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 6587508 AMWMCGBIUVLEKG-UHFFFAOYSA-N 353.835 2.451 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccc(F)c2)cc1 67896288 WEWSZHLSDSDQDK-IEBWSBKVSA-N 372.396 2.359 0 40 FEAB biogenic,in-vitro CCN(c1ccncc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005500 KPGXKPYGBXYQEL-QGZVFWFLSA-N 365.499 2.419 0 40 FEAB C[C@H](OC(=O)Cc1noc2ccccc12)C(=O)Nc1sccc1C(N)=O 7110365 DLRGTPNMSQAYRD-VIFPVBQESA-N 373.390 2.101 0 40 FEAB O=C(NCc1nnc2ccccn12)[C@H]1CCCN1Cc1ccc(F)cc1 80494216 OCXXHDFPNAPDTN-MRXNPFEDSA-N 353.401 2.149 0 40 FEAB COc1cccc(OCc2ccc(C(=O)NCCCN3CCOCC3)o2)c1 27935619 DVHUOMPKALLKRS-UHFFFAOYSA-N 374.437 2.319 0 40 FEAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1 9472280 YRCSYPSJDOCEMM-UHFFFAOYSA-N 368.436 2.284 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)N4C[C@H](C)O[C@H](C)C4)sc3nc12 18145671 PPTSYZQNRYEZKP-TXEJJXNPSA-N 357.435 2.467 0 40 FEAB Cn1nc(Br)c2c(NCCCOC[C@@H]3CCCO3)ncnc21 69921211 VVMSLOOBHSTNDZ-JTQLQIEISA-N 370.251 2.123 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 9503961 AGTUKGWKHFUFPG-XOBRGWDASA-N 371.437 2.007 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 97595599 ZNSDSVJSNVTWMP-LLVKDONJSA-N 368.840 2.296 0 40 FEAB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 84721884 DZIYQIUAQFVNJJ-AWEZNQCLSA-N 373.457 2.174 0 40 FEAB COc1ccc2c(COC(=O)[C@H](C)N3CCSCC3)cc(=O)oc2c1 95443966 UNDBCDWKXQBHSS-LBPRGKRZSA-N 363.435 2.282 0 40 FEAB CCCNC(=O)CN1CCC(Nc2nc(C)c(C(=O)OCC)s2)CC1 95971344 DDEHSYXXPRWTBZ-UHFFFAOYSA-N 368.503 2.031 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(-c3cnn(C)c3)no2)C1=O 545971893 UNRNAWVMZSCOPA-IBGZPJMESA-N 365.393 2.432 0 40 FEAB C[C@H]1Oc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2NC1=O 71538896 OQYQVSHSVOSZCT-MRVPVSSYSA-N 354.334 2.485 0 40 FEAB O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 30944344 NSPJBTQZJSTGNM-KRWDZBQOSA-N 365.905 2.000 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 72378745 VFYNSEFVOBXXES-MRXNPFEDSA-N 373.413 2.327 0 40 FEAB CN(c1ccc2c(c1)OCO2)c1ncnc2c1cnn2C1CCNCC1 228930804 PKRFTJSSDOQPAZ-UHFFFAOYSA-N 352.398 2.247 0 40 FEAB COc1ccc(-c2noc(CNS(=O)(=O)c3cccs3)n2)cc1 41153845 RCHAHHHJPLRLSS-UHFFFAOYSA-N 351.409 2.285 0 40 FEAB Cc1cc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc(C)n1 569564990 YNZOXHLHLKHHDT-OAHLLOKOSA-N 359.451 2.069 0 40 FEAB Cc1ccnc(-c2noc(CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)n2)c1 569795871 YGFBQASFBOGHKC-VAOGDNLBSA-N 352.394 2.361 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C)CC2)cc1 226075068 FSPMEUNQWCCASH-UHFFFAOYSA-N 368.499 2.258 0 40 FEAB COc1ccc(Cn2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)cc1 49409985 RUBOARNJWKKRHR-UHFFFAOYSA-N 366.402 2.265 0 40 FEAB C[C@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC(c2ccccc2)=NO1 226745767 NYUNIDLZKNORPY-FOIQADDNSA-N 355.438 2.087 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1 49131239 RECNUEHOMUTYGU-RISCZKNCSA-N 358.360 2.406 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1N1C(=O)CCC1=O 224418294 RCAWYSSTRCVWRZ-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB O=C(NC[C@H]1CCCO1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 44168685 QNTFUGHEFRLMKO-MRXNPFEDSA-N 367.384 2.377 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NCCSC(C)(C)C)ccc21 225674053 XTDSOZBTCMGSIG-UHFFFAOYSA-N 360.526 2.410 0 40 FEAB CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)N=C1C 96261439 JHDJLEBIQOSAJH-LVCYWYKZSA-N 368.481 2.300 0 40 FEAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(OCc2nnnn2C)c1 96101333 FIYFEEMHYVERKI-UHFFFAOYSA-N 369.429 2.436 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96047134 GJSNUBAYFMSPDM-OAQYLSRUSA-N 364.449 2.174 0 40 FEAB COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)c1ccco1 96068244 BOHSTVGHSNZXDL-MRXNPFEDSA-N 359.426 2.289 0 40 FEAB COc1ccc(CN2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 96048780 GMESTKUPVUKHSY-FQEVSTJZSA-N 354.454 2.448 0 40 FEAB O=C(NCCSCC(F)(F)F)c1c[nH]n2c1nc(=O)c1ccccc12 535820432 XZBUAOZTBPZFFF-UHFFFAOYSA-N 370.356 2.201 0 40 FEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Br)c2O)[C@H]1O 257344224 ZWERVWNFIPKEAE-YRGRVCCFSA-N 358.232 2.155 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cn(C)cn3)CCO2)n1 257236292 HBNHNAAATLGCER-KRWDZBQOSA-N 367.409 2.301 0 40 FEAB COc1ncc(Cn2cc(CN3CCC(OC)CC3)nn2)c2ccccc12 641168120 BKPNCKUYTOJSFJ-UHFFFAOYSA-N 367.453 2.494 0 40 FEAB Cc1noc(CN2CCCC[C@@H](Nc3ncnc4c3CCCC4)C2=O)n1 643699737 BLRGXODXVWVMCL-OAHLLOKOSA-N 356.430 2.040 0 40 FEAB NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1ccc(Cl)c(F)c1 645340762 VYRCSSKFEMNVIQ-QGZVFWFLSA-N 362.788 2.469 0 40 FEAB Cc1sc2ncnc(N3CCN(C(=O)c4ccc(O)nc4)CC3)c2c1C 679282840 ROJICVFGIJIYIA-UHFFFAOYSA-N 369.450 2.371 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)N2CCC(O)(C(F)F)CC2)[C@H]1c1ccccc1 681758414 BKUOWEPFMBBEIG-GDBMZVCRSA-N 366.408 2.215 0 40 FEAB Cc1nccn1-c1ccnc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 1775995841 DIKVRMCQGIBGRX-UHFFFAOYSA-N 364.405 2.319 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1 96122059 SQLUNTAQBAITTO-UHFFFAOYSA-N 353.827 2.301 0 40 FEAB Cc1ccccc1OCC(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093164 GMEILOZAIFSICK-QGZVFWFLSA-N 352.381 2.090 0 40 FEAB Cc1ccc(OCc2nnc3n2CCN(C(=O)c2ccco2)[C@@H]3C)cn1 585097814 QVRLXNQJVBVSBA-CYBMUJFWSA-N 353.382 2.371 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC(=O)O)Cc1ccccc1 95389905 XLVZFYXAPXSNRI-UHFFFAOYSA-N 361.419 2.126 0 40 FEAB CCN1OC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1=O 1549162009 METZPOLZULSENQ-UHFFFAOYSA-N 352.818 2.264 0 40 FEAB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 5233148 WPYGCRWMUMREJK-LQKXBSAESA-N 372.421 2.121 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1 15335078 RYVTUIWZQYJRSC-UHFFFAOYSA-N 373.434 2.192 0 40 FEAB CC(=O)N1CCC(c2ncc3c(n2)CCN(Cc2cccc(C)n2)C3)CC1 19236310 OFHJPYNHSBIQDL-UHFFFAOYSA-N 365.481 2.464 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)c(OC)c1 19551900 JDSDDBZGTBTFDH-GFCCVEGCSA-N 367.409 2.390 0 40 FEAB CN(CCn1cncc1-c1cnc(N2CCOCC2)nc1)C1CCCC1 19719320 WLDYEJBAZQJMBY-UHFFFAOYSA-N 356.474 2.051 0 40 FEAB CN1CCO[C@H](C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 502089922 CVXURNCRVPVYQQ-INIZCTEOSA-N 372.296 2.363 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 245026735 NIVFYKFSYYCGTR-CYBMUJFWSA-N 352.847 2.445 0 40 FEAB Cc1nc(C)c(CCC(=O)Nc2nc(C)c(-c3nccn3C)s2)c(=O)[nH]1 25143809 KXHLMAAIKYPSOA-UHFFFAOYSA-N 372.454 2.123 0 40 FEAB COCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 33762710 VMIMVIGHMYBGAV-INIZCTEOSA-N 366.458 2.249 0 40 FEAB COc1cnccc1C(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565554186 SVGRYVDBLLLCRJ-UHFFFAOYSA-N 361.405 2.183 0 40 FEAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1Cc1cccc(Cl)c1 4569894 RWWIMCKFLALFSG-UHFFFAOYSA-N 370.792 2.472 0 40 FEAB O=C(NCCS(=O)(=O)NCc1ccccc1Cl)c1ccccc1 4940910 KEGUSPWDZMBFHD-UHFFFAOYSA-N 352.843 2.189 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1COC2(CCCCC2)O1 5351684 DCAURUKHZYKRRI-AWEZNQCLSA-N 366.845 2.148 0 40 FEAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCc2ccccc2)C3)cc1 9317310 TVOCUZPGYPUSCX-LJQANCHMSA-N 363.417 2.388 0 40 FEAB Cc1nc2sccn2c(=O)c1NC(=O)Nc1ccc2c(c1)OCCO2 13707981 AKJITWBZQJFOJY-UHFFFAOYSA-N 358.379 2.480 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 2055839546 JGIKLCQPHDRGHN-APWZRJJASA-N 354.410 2.023 0 40 FEAB O=C(C1CCC(O)CC1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12072738 RNUOQBPKHVCBNG-ADKAHSJRSA-N 358.486 2.093 0 40 FEAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)cc1 40030628 XYAVALMSQJLNTD-QGZVFWFLSA-N 364.442 2.005 0 40 FEAB O=C1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2N1 32850693 JUJUOLSIVJJXQH-UHFFFAOYSA-N 366.345 2.282 0 40 FEAB COc1cc(OC)cc([C@@H](NC(=O)c2cnc(C)cn2)c2nccn2C)c1 29987290 HYWLDLRLUZGEOK-QGZVFWFLSA-N 367.409 2.055 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 1960653 ONNZNZSONSGACM-UHFFFAOYSA-N 366.373 2.163 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cn1 3545435 GMHKLJVVKVGHCT-UHFFFAOYSA-N 365.393 2.383 0 40 FEAB O=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1cccs1 4399738 KQKBMWVCEJGHLT-UHFFFAOYSA-N 355.467 2.446 0 40 FEAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 7580941 ZKAQUMGITKNKEY-UHFFFAOYSA-N 370.405 2.470 0 40 FEAB O=S(=O)(NCCCO)c1cc(Cl)c(Cl)cc1Br 54363540 OUKIOYNZBICMHY-UHFFFAOYSA-N 363.060 2.417 0 40 FEAB CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 719991 YABICWGRDOCOPQ-UHFFFAOYSA-N 360.399 2.010 0 40 FEAB Cc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C 833222 MYBBQPOXWLTLFJ-UHFFFAOYSA-N 370.453 2.216 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085614 NJSSMZVQWVNTKC-RWISFHNISA-N 366.417 2.075 0 40 FEAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 9239321 PRBHKBSLPACJAA-UHFFFAOYSA-N 366.421 2.009 0 40 FEAB Cc1cnc(N2CCC3(CC2)C[C@H](N(C)Cc2ccccn2)CO3)nc1 104952907 YVLTXLYELFVVSD-SFHVURJKSA-N 353.470 2.440 0 40 FEAB CCCc1cc(=O)oc2c3c(ccc12)OCN([C@H]1CCS(=O)(=O)C1)C3 57135556 YRTQNLPWJNVCGP-ZDUSSCGKSA-N 363.435 2.085 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)cc(C)n2)n1 1816200 ZFYYBWNCOZBKHR-UHFFFAOYSA-N 366.468 2.386 0 40 FEAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cn3ccccc3n2)CC1 58227268 BIZAYKITROXEHW-UHFFFAOYSA-N 367.384 2.463 0 40 FEAB CCn1c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 10651745 WFKUVKHWQKKFMW-UHFFFAOYSA-N 369.425 2.249 0 40 FEAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 2345313 ZXADYQGUFQMZGU-VIFPVBQESA-N 359.455 2.148 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1 45687960 HJPVESFLRMJQOZ-INIZCTEOSA-N 350.382 2.096 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)s1 12823803 KIDCVUOJGVTSPR-UHFFFAOYSA-N 368.455 2.342 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(C(=O)NC2CC2)c1 12868399 PJBONFYPWSVPQW-UHFFFAOYSA-N 355.369 2.086 0 40 FEAB CC(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 38419495 LZKSIVHTYWVHLP-IBGZPJMESA-N 357.479 2.118 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 4436554 PXZUAIUHDLZKMT-UHFFFAOYSA-N 354.453 2.315 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 5352815 KHIPZNAGQZSOMP-GFCCVEGCSA-N 361.442 2.408 0 40 FEAB CC(C)N(C(=O)COC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 6548233 AHRLRXYXZPJFQS-UHFFFAOYSA-N 365.393 2.261 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NCCC(C)C)cc(OC)c1OC 5779515 BOVVEXKBBMYREN-VOTSOKGWSA-N 365.426 2.431 0 40 FEAB Cc1cccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1O 6990044 CYMLJUYCOUXIGI-GOSISDBHSA-N 355.390 2.458 0 40 FEAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCC)cc1OCC 5937278 MQGATLNNEPJBJQ-LBPRGKRZSA-N 366.414 2.265 0 40 FEAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)C3CC3)CC2)C1 306127981 GMVKLLINHJLMDM-UHFFFAOYSA-N 357.483 2.180 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 15471827 ZAOQYXVLDBUVPT-ZDUSSCGKSA-N 362.451 2.437 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8052377 JTJHRXFCTYCBHL-INIZCTEOSA-N 374.506 2.365 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H](O)c3ccccc3)C2=O)cc1 19848246 CEVDMHRNDCXSHC-MOPGFXCFSA-N 368.433 2.431 0 40 FEAB O=C(OCc1nc(-c2nc[nH]n2)no1)c1csc(-c2ccccc2)n1 84564739 VTCLBXGMAOXDOT-UHFFFAOYSA-N 354.351 2.335 0 40 FEAB C[C@H](O)c1cn(C2CN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)nn1 95998098 MHIFEMPJRCUCLZ-ZDUSSCGKSA-N 358.417 2.366 0 40 FEAB O=S(=O)(c1ccccn1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 95995025 IXMRVVRUTCWJRN-LLVKDONJSA-N 360.361 2.323 0 40 FEAB Cc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 95958145 SRIAQVKSMSQBPA-BHYGNILZSA-N 357.406 2.257 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2ccc(Cl)cc2)o1 28575286 MYLMSKQETKICEL-GFCCVEGCSA-N 369.826 2.429 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 29332200 KUKUNBHLCHRKCV-UHFFFAOYSA-N 364.327 2.402 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@H]3C(=O)O)ccc12 2101671 OPILUJXCVXAIRR-AWEZNQCLSA-N 359.378 2.118 0 40 FEAB biogenic O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O)N1CCCC1 408550296 FQDXUSJRXOTDFB-XNTDXEJSSA-N 374.418 2.117 0 40 FEAB Cc1c([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)cnn1C 36619012 UIGDPVWZKXYUMR-GFCCVEGCSA-N 361.409 2.324 0 40 FEAB COc1cc(C)ccc1CN1CCC[C@@H]1c1nnc2n1CCN(C(C)=O)C2 72373876 XMCWFOTVPZHVBU-QGZVFWFLSA-N 369.469 2.294 0 40 FEAB COCCn1nnnc1C1(NCCc2c[nH]c3ccccc23)CCCC1 575443911 WBRKPEOUDHDTAU-UHFFFAOYSA-N 354.458 2.402 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1F 225103733 BFGMZDCMXIIGHP-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB COc1cccc(CNC(=O)c2ccc3nnc([C@H]4CCN(C)C4)n3c2)c1 96267434 JFEGFHVSQYAESN-HNNXBMFYSA-N 365.437 2.087 0 40 FEAB CCc1cnc(N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)nc1 96237671 OIRBGLJDKRTIDS-SFHVURJKSA-N 357.483 2.028 0 40 FEAB COc1cccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)c1 95101318 IXQNTJCICKWGPJ-SIXWZSSISA-N 360.410 2.131 0 40 FEAB CCO[C@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(OC)c(F)c1)C2 248120216 DJVWIONZNAXEHT-LLVKDONJSA-N 361.460 2.119 0 40 FEAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ncoc1C 257305083 SOJNVAQTIXIFJY-RGCFKVTRSA-N 363.458 2.034 0 40 FEAB Cc1nn(C)cc1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257229651 FYYBYTXMLGUISY-ICSRJNTNSA-N 357.454 2.092 0 40 FEAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc(N2CCCC2)cc1 257285853 PJEGPIPUELFNQQ-GUDVDZBRSA-N 354.454 2.368 0 40 FEAB Nc1cc(CC[C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)ccn1 257262079 LJYRTVFMMOHCMF-GOSISDBHSA-N 355.438 2.293 0 40 FEAB C[C@H]1CCCN(CCCc2nnc(CCCN3CCC[C@H](C)C3)n2N)C1 260572289 MRPCQHLHXYLXPU-ROUUACIJSA-N 362.566 2.321 0 40 FEAB Cc1cc(S(=O)(=O)N2C[C@H](O)Cc3ccccc32)cc(C(=O)O)c1C 278685698 MEALOKJAAHHZEX-CQSZACIVSA-N 361.419 2.114 0 40 FEAB CC(C)(N)CCNC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 641814405 KWMOIYNSRITZDK-UHFFFAOYSA-N 363.487 2.382 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](N)CCO1 652384605 GOMOPULICNMTSF-XHSDSOJGSA-N 356.463 2.184 0 40 FEAB CS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nc1 671426745 WMVFELCEWNHLKV-NHYWBVRUSA-N 354.378 2.076 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c1 676457171 VGSMKCSYOTZJMQ-GUDVDZBRSA-N 370.474 2.395 0 40 FEAB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@](C)(C(=O)O)c1ccccc1 663141495 MOMIMAMBNLANIQ-CLCXKQKWSA-N 357.410 2.097 0 40 FEAB Cc1ccccc1C(=O)N1C[C@H]2OCCN(C(=O)c3ccco3)C[C@H]2C1 585107885 ASXXONYOZOVEIM-MAUKXSAKSA-N 354.406 2.201 0 40 FEAB CC(C)n1cc(C[C@@H]2NC(=O)N(CCc3ccccc3Cl)C2=O)nn1 548334833 DCZHIUTZEPMTJU-HNNXBMFYSA-N 361.833 2.218 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(c2ncc(Br)cc2Cl)CC1 276944786 SPSFPZMHTYCJFU-GFCCVEGCSA-N 374.666 2.325 0 40 FEAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 585264627 WACUHAHXBOBBKP-OAHLLOKOSA-N 351.468 2.464 0 40 FEAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087054 NVTOOJATSDMBLU-UHFFFAOYSA-N 353.422 2.069 0 40 FEAB O=S1(=O)N[C@@H](C2CCN(Cc3ccncc3)CC2)Nc2ccccc21 12089470 NTHSTSFFJYTQCN-SFHVURJKSA-N 358.467 2.024 0 40 FEAB CC(C)(C)c1ncc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1 12203507 IHEDYDQSEGGPFT-UHFFFAOYSA-N 368.437 2.499 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1OC 12365047 PVHYILFWEKLOGS-CYBMUJFWSA-N 367.409 2.390 0 40 FEAB CCCCCCc1c(C)nc(N2CCN(C(=O)OCC)CC2)[nH]c1=O 14608493 HNMLSBHDKNQWDQ-UHFFFAOYSA-N 350.463 2.480 0 40 FEAB O=C1COc2cc(C(=O)OCc3nc(-c4ccsc4)no3)ccc2N1 18593872 MMHHTLSLPIKBOD-UHFFFAOYSA-N 357.347 2.486 0 40 FEAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@@H]1CCc2ncncc2C1 649246537 LYXRHCFAGHQJLC-MEBBXXQBSA-N 363.776 2.316 0 40 FEAB Cc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NCc1ccccc1 653170786 ZHERQLSQAVXODC-UHFFFAOYSA-N 373.478 2.214 0 40 FEAB CC(=O)NCCc1ccc(C(=O)OCC(=O)Nc2cc(C(C)C)no2)cc1 9337382 MIYIIQGXOXKXCG-UHFFFAOYSA-N 373.409 2.272 0 40 FEAB O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCOCC1 21538858 LEBNWWLSWSMATC-UHFFFAOYSA-N 358.467 2.280 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCOCC1 1889131814 PFJDSGSMIXZIAJ-HNNXBMFYSA-N 359.253 2.053 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCCn2c(C)csc2=O)c1C 18033125 GEGKXZLCNGIUIS-UHFFFAOYSA-N 352.412 2.197 0 40 FEAB Fc1cnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nc1 1776001875 OYWDBWJTNWFMGV-UHFFFAOYSA-N 368.420 2.038 0 40 FEAB COc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2=O)ccn1 1776008717 NMDQJFORDDCRFX-UHFFFAOYSA-N 367.331 2.061 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840807 RUWQRAOYOZTLCN-FQEVSTJZSA-N 360.454 2.226 0 40 FEAB COc1cc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)ccc1OC(C)C 2037983799 GNDUCUUMHFIFIV-IRXDYDNUSA-N 362.470 2.162 0 40 FEAB Cc1nnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)c2ccccc12 2087000730 LNBCRGDOZGDGHY-UHFFFAOYSA-N 360.483 2.331 0 40 FEAB CCc1ccc(C(=O)NC2CCC3(CCC(=O)N3CCOC)CC2)cn1 1565556300 QWVKCFZCVGHUFD-UHFFFAOYSA-N 359.470 2.324 0 40 FEAB CCc1nc(SCc2cccc(C)c2)c2c(=O)n(C)c(=O)n(C)c2n1 4138943 KWFLGASITMJGOR-UHFFFAOYSA-N 356.451 2.190 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1N1CCCC1=O 10220990 YSAUZMFZQRAKRL-UHFFFAOYSA-N 365.433 2.419 0 40 FEAB COc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)cc3)c2=O)cc1 15862416 UYUAYRRVOFTKAJ-UHFFFAOYSA-N 353.378 2.295 0 40 FEAB CCc1ccccc1NC(=O)Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O 20488800 AGMUFZZUTQWVDH-UHFFFAOYSA-N 367.380 2.339 0 40 FEAB O=S(=O)(NC1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 2086854680 TWIUBTINUCQNRG-UHFFFAOYSA-N 350.271 2.439 0 40 FEAB CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 40033556 PVTZWHOTLGXEJV-AWEZNQCLSA-N 366.414 2.059 0 40 FEAB Cc1ccc([C@H](C)CNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101208770 SNJZOFCKQRHLPG-DAYRTQLQSA-N 352.434 2.022 0 40 FEAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(OC)cc3OC)n2)c1 1222292 IRDPFYIDDXDXCE-UHFFFAOYSA-N 369.381 2.005 0 40 FEAB Cc1cccc2c(CC(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)c[nH]c12 78113680 SZHLUATXOWVEFQ-CYBMUJFWSA-N 353.344 2.298 0 40 FEAB Cn1nnc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21 4331092 JLYLSYOOOLSMST-UHFFFAOYSA-N 363.347 2.104 0 40 FEAB CCn1cc(CNC(=O)CCn2cc(Br)c(C)n2)c(C)n1 2805087 DPOVHSFHTXQFGI-UHFFFAOYSA-N 354.252 2.185 0 40 FEAB Cc1ccc2nc(COC(=O)[C@H]3CC(c4ccccc4)=NO3)cc(=O)n2c1 41830340 NFZCZSIYFCFBCU-QGZVFWFLSA-N 363.373 2.239 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6597152 DSIUFSFRPNTCAS-UHFFFAOYSA-N 356.488 2.449 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(=O)n2ccsc2n1 7903149 ILLGZBSNCMIFIP-UHFFFAOYSA-N 372.450 2.225 0 40 FEAB COc1ccc(CCNC(=O)c2nc(-c3ccccn3)no2)cc1OC 12390578 KDNZVPHEUCKUKO-UHFFFAOYSA-N 354.366 2.121 0 40 FEAB CCN(c1ccc(C(=O)NCc2ccc(OC)cc2)cc1)S(C)(=O)=O 10008561 BFTDYMNPZCLOLR-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2sccc2C)n2nc(C)nc2N1 10157086 PVUZRXRRKSGHHT-AWEZNQCLSA-N 359.455 2.104 0 40 FEAB C[C@H]1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C[C@H](C)O1 704012 CGASQDXEZFOVIF-KBPBESRZSA-N 372.450 2.194 0 40 FEAB COc1ccc(/C=C/C(=O)N2C(=O)c3ccccc3S2(=O)=O)cc1OC 3232061 UBYFPMPJGXDKNJ-CSKARUKUSA-N 373.386 2.088 0 40 FEAB C[C@H]1CN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 25413256 CBIYNIISAKDDAK-KSZLIROESA-N 359.514 2.265 0 40 FEAB CC(=O)N(C)Cc1cccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 25959513 VXDQKEHIJJNMQQ-UHFFFAOYSA-N 354.366 2.055 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)C2=O 3272196 KQPRWJRSIARNSN-UHFFFAOYSA-N 351.353 2.404 0 40 FEAB C[C@H](C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)S(C)(=O)=O 57375538 DHTYCVWUEXAYOP-MRVPVSSYSA-N 360.407 2.384 0 40 FEAB O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1cccs1 23127773 UNCDALXBZKOZPN-OAHLLOKOSA-N 352.481 2.100 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3300469 FDJJDKNMLKPKAC-UHFFFAOYSA-N 363.197 2.005 0 40 FEAB CCC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2094847 WJFCNNSNZIFICB-CQSZACIVSA-N 361.394 2.467 0 40 FEAB biogenic C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)N2CCc3ccccc32)C[C@@H](C)O1 58174438 WPSZGXOYTDIZCI-LMMKCTJWSA-N 357.498 2.149 0 40 FEAB CCc1nc(Cn2c(-c3cccc(Br)c3)noc2=O)no1 58210139 DEUFXYKXYVTRIB-UHFFFAOYSA-N 351.160 2.260 0 40 FEAB COc1ccc(Br)cc1CNC(=O)CCNc1ncccn1 58244058 WKRCQXGNOBUJDM-UHFFFAOYSA-N 365.231 2.366 0 40 FEAB Cc1occc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C 10376205 GHCMZQTYYTVISN-KRWDZBQOSA-N 353.378 2.384 0 40 FEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 58377179 YFTXFEOEVBIDIE-ZDUSSCGKSA-N 359.403 2.369 0 40 FEAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1 28050482 SZLGYXPFASZKSK-UHFFFAOYSA-N 357.501 2.097 0 40 FEAB C[C@H](CNC(=O)Nc1nncc(-c2ccccc2)n1)CC1(C)OCCO1 72305941 WZVUPQSRRLAXPN-ZDUSSCGKSA-N 357.414 2.449 0 40 FEAB Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc(C(=O)O)c1O 20152486 NHQABAQEGWDNTJ-UHFFFAOYSA-N 374.374 2.254 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2[nH]ccc2c1 72405796 LRSMOBKFIDBNEW-UHFFFAOYSA-N 369.402 2.341 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl 23080309 XTICIEWTKADCJS-KRWDZBQOSA-N 370.844 2.348 0 40 FEAB O=C(Nc1cccc(Br)c1)c1cnc2n(c1=O)CCS2 12982980 FGTGYKGDWIQNSG-UHFFFAOYSA-N 352.213 2.364 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccccc1C(F)(F)F 48963466 MSBKICAGPPBONC-UHFFFAOYSA-N 352.378 2.107 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C)O2 38833199 XQOXJEOSFNJYEM-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB Cc1sc2nc(COC(=O)Cn3c(C)csc3=O)nc(N)c2c1C 8746932 RKTORMDBIAPPPU-UHFFFAOYSA-N 364.452 2.165 0 40 FEAB O=C(NC[C@@H]1CCOC1)c1nn(-c2ccccc2C(F)(F)F)cc1O 84501818 XLPAVXGWDHLNEQ-JTQLQIEISA-N 355.316 2.363 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCc2ccccc21 13692913 MBIJSOFRNLZKMC-UHFFFAOYSA-N 361.401 2.311 0 40 FEAB CCCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 39478214 NIZXLLMKONIIFZ-NTEUORMPSA-N 362.407 2.368 0 40 FEAB Cn1cc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cn1 306124375 BNRQMXIQKZONKT-OAQYLSRUSA-N 360.465 2.374 0 40 FEAB COc1cc(C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OCC(N)=O 14180834 PNLDKTUQCZVVFG-UHFFFAOYSA-N 366.320 2.098 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)no1 14249464 JNMLIKVNVUYJSD-VIFPVBQESA-N 361.379 2.211 0 40 FEAB CCCNC(=O)C[C@H](C)CC(=O)N1CCN(c2ccccc2OC)CC1 4687695 IHSVAIPJVJRVLB-INIZCTEOSA-N 361.486 2.286 0 40 FEAB NC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 7351585 PBDQIXMXBSXJFN-UHFFFAOYSA-N 358.486 2.203 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1C(=O)N1CCSCC1 71282147 BNDYOXXKHWLFCF-UONOGXRCSA-N 362.451 2.171 0 40 FEAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC(F)F)c1 7747992 MJWOTLAUSOPQDT-ZDUSSCGKSA-N 356.325 2.440 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)cc1 9112021 YDIWPMUFHKIYAC-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3ccccc3[nH]2)cc1 8216839 KBNZZYDNNNEBCX-UHFFFAOYSA-N 358.423 2.178 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 96221940 REUQZQYQUMYSGN-SFHVURJKSA-N 364.401 2.457 0 40 FEAB biogenic COc1ccc(CCNC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1OC 408708171 VLORDRDWQPMTFJ-OAHLLOKOSA-N 370.449 2.282 0 40 FEAB O=C(Nc1ccccc1)c1ccccc1OC[C@H](O)CN1CCOCC1 19882282 ULIJWYVQQLNXFB-QGZVFWFLSA-N 356.422 2.011 0 40 FEAB Cc1nn(C)c(C)c1CCNC(=O)c1ccccc1S(=O)(=O)C(C)C 84012204 KIACBQLATQBRBG-UHFFFAOYSA-N 363.483 2.192 0 40 FEAB CN(C)S(=O)(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 408722229 RRXGQHZEMILKAK-KDOFPFPSSA-N 364.467 2.253 0 40 FEAB CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C12CC3CC(CC(C3)C1)C2 73326792 NBVUQTJKRVMHGT-UHFFFAOYSA-N 368.543 2.475 0 40 FEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](O)CN(C)C 89526033 VUFZYGRWNYNORV-JTQLQIEISA-N 355.797 2.095 0 40 FEAB Cc1ncsc1C(=O)N1CCCN(Cc2nnc(C3CCC3)o2)CC1 89565434 GKROTFHFQIINST-UHFFFAOYSA-N 361.471 2.450 0 40 FEAB NC(=O)c1cncc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)n1 301726948 VNQMISFMNIGETH-AEFFLSMTSA-N 351.454 2.066 0 40 FEAB CCC(=O)Nc1cccc(C(=O)/N=c2\[nH]c3cccc(C(=O)OC)c3[nH]2)c1 89941788 OWPSGQBGEMKCFZ-UHFFFAOYSA-N 366.377 2.372 0 40 FEAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(CC(N)=O)cs2)cc1 21040526 SLPLOURDVHZTSA-UHFFFAOYSA-N 361.423 2.171 0 40 FEAB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@H]23)C[C@@H](C)O1 36369529 AGRFRTKLCPEWTJ-LZQVVCJJSA-N 363.498 2.381 0 40 FEAB Cn1cccc1C(=O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 127893746 XKCGWIKMRZCMPO-UHFFFAOYSA-N 373.478 2.055 0 40 FEAB O=C(c1cnc(O)c2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524731071 JJPBAEKSYJGZFS-GLJUWKHASA-N 365.433 2.413 0 40 FEAB biogenic CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccco2)ccc1OC 408588662 XOYHYHWKVQTLJR-UHFFFAOYSA-N 354.384 2.335 0 40 FEAB C[C@@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 35565249 OOZLYRJGBGUXJY-MNOVXSKESA-N 360.385 2.307 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 32998026 MBCNILKFJNYBKB-KFWWJZLASA-N 358.438 2.315 0 40 FEAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 70666303 PBWCYOHYYMLSNC-VXGBXAGGSA-N 360.366 2.258 0 40 FEAB biogenic Cc1ccc(NC(=O)C[S@](=O)c2nnc(Cc3ccccc3)n2C)cc1 35683084 YJPJSLCMAFOBPR-AREMUKBSSA-N 368.462 2.461 0 40 FEAB C[S@](=O)C1(CNC(=O)NC2(c3ccc4c(c3)OCO4)CC2)CCC1 562449668 UCPIVEALZQDZTO-DEOSSOPVSA-N 350.440 2.005 0 40 FEAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 225375059 DEFQRTHRGPUXDJ-KMTKGMGQSA-N 370.405 2.354 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)C2 606440774 OEENVQKTVMJBBL-LBPRGKRZSA-N 365.359 2.244 0 40 FEAB CN(CC(=O)NC(C)(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 224306302 ODRJWUIVLFUGHD-UHFFFAOYSA-N 360.479 2.445 0 40 FEAB COc1cccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 40018103 WXPQXHLAYLWQKD-GOSISDBHSA-N 358.438 2.329 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 222585578 VVNUXJPYSCLFKY-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB O=C(Cc1cccc(OC(F)(F)F)c1)NCc1cc2n(n1)CCCO2 582208604 FSDBOHNJGBPZKC-UHFFFAOYSA-N 355.316 2.423 0 40 FEAB O=C1CO[C@@]2(COCCN(Cc3ccco3)C2)CN1c1ccc(F)cc1 96051292 ZAEYJJIFURTOBV-LJQANCHMSA-N 360.385 2.053 0 40 FEAB COCCN1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 96260620 YFEUTPKWMVBOAX-UHFFFAOYSA-N 372.513 2.187 0 40 FEAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 247955919 VGVFJBUGDNOYBY-KZNAEPCWSA-N 364.445 2.029 0 40 FEAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2occc2C)C3)nc1 253600667 VNDNPNBGBFXVIA-HNNXBMFYSA-N 356.426 2.420 0 40 FEAB Oc1cc(CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)ncn1 257250691 JNOHDZCSETYMBJ-CYBMUJFWSA-N 354.332 2.434 0 40 FEAB Cc1cc(N)cc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257245082 IOAQWNMOWDXZCY-GOSISDBHSA-N 357.410 2.009 0 40 FEAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)nc(C)n1 257249501 JIRKSVKSLMRTSC-HNNXBMFYSA-N 350.419 2.492 0 40 FEAB COc1ccc(F)c(N2CCC([C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)n1 1775957641 FQBRVJXVNDSUHB-LSDHHAIUSA-N 351.422 2.082 0 40 FEAB C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC(=O)NC1CC1 602917480 DKADRBHCGWYDOX-ZWZTZDBGSA-N 369.824 2.275 0 40 FEAB O=C1Cc2c(C(=O)N(Cc3ccccc3)[C@@H](CO)C3CCC3)ccnc2N1 616462830 JMVDUGZREFJQCF-SFHVURJKSA-N 365.433 2.380 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C(F)(F)F)nc1 623000332 FEHSCFWPTXIOLX-CYBMUJFWSA-N 370.352 2.500 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC12CC=CC2 645494129 VRZAWSYJLFHZKY-OAGGEKHMSA-N 369.531 2.091 0 40 FEAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 1138115493 DDUMTTOVLHGOCA-UHFFFAOYSA-N 364.331 2.495 0 40 FEAB O=C(c1ccco1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 585096731 BKGIXHRITJLIDC-ZDUSSCGKSA-N 350.369 2.232 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n[nH]1 19447423 HOZXYXSIEDWXNF-MRXNPFEDSA-N 354.458 2.021 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19569570 BCNJHBWRIQMTOU-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888863548 OKAGVFXEVSJXEP-LNLFQRSKSA-N 364.449 2.217 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccccn3)C2)cc1Cl 1888881978 GIEMFXFWJHWENT-UHFFFAOYSA-N 367.858 2.253 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1CC(F)(F)C1)C2 1614940165 FYWJEWMHUMVCPK-MRXNPFEDSA-N 369.437 2.043 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 1565552376 RKTBIDHGCXHODN-UHFFFAOYSA-N 364.449 2.464 0 40 FEAB CCCNC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(C)nc2c1=O 8955558 RUDVJXPUZLQJHX-UHFFFAOYSA-N 360.414 2.494 0 40 FEAB COc1ccc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)cc1 2055730251 PVRMNUIPMOVXJR-INIZCTEOSA-N 357.454 2.163 0 40 FEAB O=C(C1=CCCC1)N1CCC(Nc2ccc(F)cn2)(C(=O)NC2CC2)CC1 2055747583 KJKUITAUFNGXNB-UHFFFAOYSA-N 372.444 2.383 0 40 FEAB NC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 23127334 MGYAJYNMVPBYGS-UHFFFAOYSA-N 365.345 2.350 0 40 FEAB Cc1nc(-c2ccc(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2)cs1 40073638 DOTRWMPMLYJZEJ-QGZVFWFLSA-N 364.492 2.354 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814356 TVNQSIVPKHAEIF-UHFFFAOYSA-N 371.418 2.294 0 40 FEAB COCCn1cc(C(=O)NCCc2ccncc2)c2ccccc2c1=O 79191775 OUNTZCFOZXEOHE-UHFFFAOYSA-N 351.406 2.015 0 40 FEAB biogenic O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@H]2C=C[C@H]1C2 103091701 LEWOZDUSGKCEJF-PYTWLRIVSA-N 354.406 2.384 0 40 FEAB Cc1cccc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 37208950 YISPPZNYKHWGMB-SFHVURJKSA-N 352.438 2.371 0 40 FEAB Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 6725598 JUGLFZZRRPEIIX-XWSJACJDSA-N 356.466 2.386 0 40 FEAB Cc1c(CC(=O)Nc2ccccc2C(N)=O)c(=O)oc2cc(O)ccc12 12296823 XYOKATOJTHKUOG-UHFFFAOYSA-N 352.346 2.087 0 40 FEAB biogenic CCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC)CCCC4)CC1 12322094 OWQQTBXCKNQQPL-UHFFFAOYSA-N 374.510 2.415 0 40 FEAB CCS(=O)(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 53668379 NZEABKRRTCQRNX-UHFFFAOYSA-N 352.412 2.330 0 40 FEAB CCNC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 23267502 SNSDDGWTTXCCMC-QGZVFWFLSA-N 353.374 2.434 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 24137358 PFFBQCCWHYDHNO-UHFFFAOYSA-N 353.422 2.110 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 26014798 NCGQRMOSOZCRFG-ZDUSSCGKSA-N 369.421 2.202 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 57186132 BKVXNQZECFZKRB-UHFFFAOYSA-N 362.445 2.201 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)Cc1nc2sccc2c(=O)[nH]1 57358912 SGZVQTXUALNFFZ-LBPRGKRZSA-N 368.462 2.394 0 40 FEAB Cc1c(C(=O)N[C@@H](C)c2ccco2)nnn1-c1ccc2c(c1)OCCO2 109080737 DMZLIICSNVBWQN-NSHDSACASA-N 354.366 2.431 0 40 FEAB Cc1cccc(C(=O)NCCNC(=O)c2nc(-c3ccc(F)cc3)no2)c1 21453307 AFSXNHQUJWIVCC-UHFFFAOYSA-N 368.368 2.344 0 40 FEAB O=C(NCCN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F 58201601 JAPAHLAWLUPNEI-SFHVURJKSA-N 373.403 2.304 0 40 FEAB CCc1noc(C)c1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58250661 PEBSKAVNDYEQBJ-QGZVFWFLSA-N 361.417 2.488 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 12613473 PIXMIASQLILJNX-QRWLVFNGSA-N 373.453 2.253 0 40 FEAB Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)sc1CC(N)=O 48289387 GBWUDYUMNQOTFO-JBLDHEPKSA-N 355.529 2.464 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1 48287689 LKWKFFUZCMMFKE-UHFFFAOYSA-N 356.444 2.344 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10331713 KUFCUACBWSIJFN-MNOVXSKESA-N 362.879 2.418 0 40 FEAB COc1ccc(OC)c2c(SC[C@@H](NC(C)=O)C(=O)O)cc(C)nc12 2348362 UCXYSNISEUSVRY-LLVKDONJSA-N 364.423 2.242 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2cncc(Br)c2)n1 11028145 IBOMAXMINSLUKX-UHFFFAOYSA-N 356.201 2.405 0 40 FEAB NC(=O)[C@H]1CN(C(=O)COc2ccc3ccccc3c2)c2ccccc2O1 29359355 YLIBVHRRHAVQOJ-LJQANCHMSA-N 362.385 2.498 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCCO1 12867517 DOCDQZIYHWVHFT-CYBMUJFWSA-N 355.232 2.333 0 40 FEAB CCCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12865941 FSYCDUDLQWBPPE-CQSZACIVSA-N 360.454 2.267 0 40 FEAB O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 3561327 KHEIRSLQMKVUNO-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)cc12 12987283 WXWMCOHKJQXTQK-CYBMUJFWSA-N 367.409 2.361 0 40 FEAB COc1ccc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1F 12984793 IDKKTFWEYCMPHL-UHFFFAOYSA-N 362.748 2.113 0 40 FEAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)c1ccc(F)c(F)c1 12914420 NVIPOLKMVLCPTH-NSHDSACASA-N 372.327 2.489 0 40 FEAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccc1 13268674 XDBSULXCIMEINM-INIZCTEOSA-N 371.418 2.186 0 40 FEAB CC(C)c1nc(S[C@H](C)C(=O)N2CCNC2=O)nn1-c1ccccc1 9865006 FCAITFUHQJWPMA-GFCCVEGCSA-N 359.455 2.423 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OCc2ccc(F)cc2)c1 39998306 KDTDLLDGFOAYAT-INIZCTEOSA-N 363.410 2.322 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2=COCCO2)c1 14117832 LKTIROFULFRFRH-UHFFFAOYSA-N 368.455 2.161 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 14110117 NKIWMVNKBKJURG-HXUWFJFHSA-N 367.405 2.409 0 40 FEAB O=C(NC1CCCCC1)N1CCN(Cc2ncn(-c3ccccc3)n2)CC1 92802666 HAUCELOMYFDRNN-UHFFFAOYSA-N 368.485 2.427 0 40 FEAB COc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 4504319 MYWYVMVAVPAXRY-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB COC(=O)Cn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O 22751244 QLOWUDDEBXEXKI-UHFFFAOYSA-N 374.422 2.368 0 40 FEAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 15326223 ZGAUAXKHPCTFGJ-UHFFFAOYSA-N 374.418 2.322 0 40 FEAB Cc1cccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1C 93562060 UCMNXOXPXSJQND-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB Cc1nc2sc(C(=O)NCCc3nc4ccccc4[nH]3)c(C)c2c(=O)[nH]1 96116778 XAGCEHHNJNHQFT-UHFFFAOYSA-N 367.434 2.450 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnn(-c2ccccc2)n1 9481483 UIFQHOBJFNSPFH-QGZVFWFLSA-N 351.410 2.427 0 40 FEAB O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 89783410 QGQCKPNMJNTKSA-XJKSGUPXSA-N 374.828 2.016 0 40 FEAB C[C@H](CC(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccncc1 89894589 RYNDNOIJGNNVHK-CQSZACIVSA-N 367.405 2.212 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306130409 JFGZKJZZCVUABW-OAHLLOKOSA-N 353.430 2.022 0 40 FEAB CN(C)c1nc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)n[nH]1 553189472 VZBVKVSVUTTYAA-UHFFFAOYSA-N 356.411 2.437 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1 409135419 QMTMHICMALJIDR-CYBMUJFWSA-N 356.353 2.361 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686401 SKBPTQWCSDEFKK-LGEZUQEUSA-N 368.433 2.131 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12)c1cccnc1 306143590 YGKBZXSXFMUQIJ-QXAKKESOSA-N 355.413 2.098 0 40 FEAB COc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 34887169 QDNNDIFYEOAEDW-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB COC(=O)C[C@H](c1c(O)n(C)c(C)cc1=O)c1coc2ccccc2c1=O 1547206392 SZUMVLYJLXYGQS-ZDUSSCGKSA-N 369.373 2.201 0 40 FEAB COc1ccc(-c2nc(CNC(=O)Cn3cncc(C)c3=O)cs2)cc1 70636881 LHVUIKQPWYRVCH-UHFFFAOYSA-N 370.434 2.000 0 40 FEAB COc1ccc(-n2c(N)c(C(=O)NCC(OC)OC)sc2=S)cc1 71328583 QYTWLSVXKWHJCA-UHFFFAOYSA-N 369.468 2.208 0 40 FEAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)N1CCOCC1 33330900 QXIGOTZGDUFANA-ORWRBEDVSA-N 358.419 2.138 0 40 FEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 225726915 AXDVARHKAISQNS-LBPRGKRZSA-N 365.227 2.059 0 40 FEAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 223683212 LOGAOTUAHVBLAW-IAGOWNOFSA-N 358.467 2.264 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(COCCN(c3ccccn3)C2)C1 96076777 RQCZJJZGXHAKRV-HXUWFJFHSA-N 352.438 2.236 0 40 FEAB O=C(c1ccoc1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 96217688 PXMBOODNRPLVAX-MRXNPFEDSA-N 357.410 2.408 0 40 FEAB Cc1ccc(S(=O)(=O)n2c(C)nc3c(O)cc(C(=O)N(C)C)cc32)cc1 95931425 AGWVNJPTTKMUQO-UHFFFAOYSA-N 373.434 2.298 0 40 FEAB COc1ccc(CN2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)cc1 96157954 FBZNZBMHIYMMHX-UHFFFAOYSA-N 354.454 2.448 0 40 FEAB O=C(c1ccccn1)N1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 247824822 IQUOZTKFWBSRMJ-KRWDZBQOSA-N 353.422 2.315 0 40 FEAB COc1cccc2cc(C(=O)NCC3(OC)CCSCC3)c(=O)oc12 252522931 BKUSFWLQXFTXOZ-UHFFFAOYSA-N 363.435 2.444 0 40 FEAB Cc1ncc(-c2cncc(C[C@H]3CCN(C(=O)c4ccccn4)C3)n2)n1C 257252761 JWBOFYNTOCHWSZ-OAHLLOKOSA-N 362.437 2.285 0 40 FEAB Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](c4ccco4)C3)C2)nn1 370322716 BFQLJTNSSNAZGP-NVXWUHKLSA-N 371.441 2.130 0 40 FEAB CC(C)N1CCN([C@H]2CCN(C(=O)Cc3cccc4cnccc34)C2)CC1 599662628 NGCHIDKGLOUTJZ-FQEVSTJZSA-N 366.509 2.404 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@@H](C)O2)n1 628861947 FEWDVPZUYJSJAC-MEBBXXQBSA-N 355.350 2.087 0 40 FEAB O=C1NCCCC[C@H]1NC(=O)N1CCC2(CCc3ccccc3O2)CC1 660509215 ZBMSRMKGGMUFCM-MRXNPFEDSA-N 357.454 2.225 0 40 FEAB Cc1cccc2ncc(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)c(=O)n12 71768117 ZWLLBJNNCVCTAC-UHFFFAOYSA-N 353.426 2.296 0 40 FEAB CO[C@@H]1CN(C(=O)CCCn2cccn2)C[C@]12C[C@@H](c1ccccc1)CO2 585294142 QKNNCFIQMRQALI-SFHLNBCPSA-N 369.465 2.463 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CC1)C2 585107032 ORVPLAXEIWQWSX-HXUWFJFHSA-N 370.428 2.268 0 40 FEAB O=C(NC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21)N1CCCC1 585112730 UPCMCLHLYCJVGX-SFHVURJKSA-N 357.433 2.385 0 40 FEAB C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C12CC3CC(CC(C3)C1)C2 44760036 ZGGWGXIENFSQJI-IWERZKIRSA-N 365.499 2.007 0 40 FEAB Cn1ccc(CCNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 680630779 WLMMXZSAGMWLCL-UHFFFAOYSA-N 352.442 2.428 0 40 FEAB CC(C)n1ncc2c(C(=O)N3CC(=O)NCC3(C)C)cc(C3CC3)nc21 501599344 DEFDARBEMVOGLK-UHFFFAOYSA-N 355.442 2.240 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)n1 83897392 SVWQPRXOUGLZKZ-MRXNPFEDSA-N 353.378 2.112 0 40 FEAB COc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)cc1F 84087337 XAIRZZGHZGFYDF-UHFFFAOYSA-N 350.415 2.435 0 40 FEAB CN(C)c1ncccc1C(=O)N[C@@H]1CCc2nnc(-c3ccccc3)n2C1 95998167 XSQRWIAVHZSOMG-OAHLLOKOSA-N 362.437 2.151 0 40 FEAB CN(C)c1nccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 301365720 QNHBLIQDTCWCJY-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB CCc1ccc(CN(C)C(=O)Cc2csc(NS(C)(=O)=O)n2)cc1 37143307 ZFWBIVVZEVOHES-UHFFFAOYSA-N 367.496 2.278 0 40 FEAB O=C(CSc1ccc(F)cc1)NCC1(OCCO)CCSCC1 888107166 UNCLGFIJMQSOFB-UHFFFAOYSA-N 359.488 2.309 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2CCC[C@H](C)C2)n1 12186034 HXYSXYFZNPLQDJ-SWLSCSKDSA-N 357.458 2.080 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 13960367 PZQQGEXEPDEQHJ-FZKCQIBNSA-N 357.797 2.252 0 40 FEAB Cn1cc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)ccc1=O 19748973 FTBNAPDHQJBNEY-GOSISDBHSA-N 367.449 2.200 0 40 FEAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 6295968 VUMYKDAGVOEBMC-GDNBJRDFSA-N 373.434 2.304 0 40 FEAB Cc1c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cnn1C 1204569178 LVLNRYXXZBTECV-UHFFFAOYSA-N 354.454 2.127 0 40 FEAB CC(=O)Nc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 6831674 YQZXPWBWJLVVRS-GOSISDBHSA-N 351.406 2.427 0 40 FEAB O=C(NC1CCN(c2ncccn2)CC1)c1cncc(Br)c1 32930105 OFSXIYUUMWMZOW-UHFFFAOYSA-N 362.231 2.033 0 40 FEAB O=C(COc1ccccc1F)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238882944 POSDJTLWWYTUMC-OAHLLOKOSA-N 372.352 2.041 0 40 FEAB Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br 1687255 KWXCNODTHBHSIQ-UHFFFAOYSA-N 357.233 2.239 0 40 FEAB in-man O=C(Cc1cccc2ccccc12)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100038685 DRWVSWJWKXPVCN-OXMKXFLHSA-N 372.424 2.467 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)N[C@@H](c1cccs1)C1CCOCC1 1565523729 YYGLQBNPJYLSDK-QGZVFWFLSA-N 362.451 2.353 0 40 FEAB CC(C)N1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@@H]2C1 1565546376 ZJZZIPMELLKLCX-RDTXWAMCSA-N 368.424 2.301 0 40 FEAB O=C(NCc1cccs1)C(=O)NCC1(c2ccccc2)CCOCC1 16974358 IJVGHDXISAMUJE-UHFFFAOYSA-N 358.463 2.229 0 40 FEAB COCCN1CCO[C@@H]2CCN(C(=O)c3ccc4c(ccn4C)c3)CC[C@@H]21 2055746208 ZKLUVGDVJVEZJD-VQTJNVASSA-N 371.481 2.130 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4278900 RBFZONRYEOTPMK-GBIKHYSHSA-N 368.258 2.098 0 40 FEAB O=C(NCc1ccccn1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40121852 HAOLRZFXRWZNQK-UHFFFAOYSA-N 374.404 2.261 0 40 FEAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 51316372 LRZQOPRUVXQMNE-UHFFFAOYSA-N 354.362 2.130 0 40 FEAB O=C1C[C@@H](Cc2ccc(NC(=O)[C@H]3CCOc4ccccc43)cc2)C(=O)N1 101219635 KTAWTQAEKWAIBN-PBHICJAKSA-N 364.401 2.397 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1 32721727 XKTFXNHGOTVMHP-UHFFFAOYSA-N 372.388 2.484 0 40 FEAB Cc1ccc(-n2ncc(N3CC[C@@H](C(N)=O)C3)c(Cl)c2=O)cc1Cl 52394000 SQZFJFVBMMNLOJ-SNVBAGLBSA-N 367.236 2.159 0 40 FEAB CCN(CC)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1 32837378 CJUMICAJLHTTAM-UHFFFAOYSA-N 369.465 2.172 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)NCCS(=O)(=O)c1ccccc1 60561400 XOKMSEJPBUYXSD-UHFFFAOYSA-N 360.435 2.241 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 797054 RFACFTLCBHJGOX-CYBMUJFWSA-N 354.472 2.011 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1378824 IFCFRLHMQBQEIP-INIZCTEOSA-N 354.447 2.428 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C[C@@H](O)[C@@H]3CCCO3)CC2)cc1Cl 79076146 WACBPIPXXLAMSM-SJORKVTESA-N 367.877 2.338 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1C 2662265 PMPNELSZCSIMGE-UHFFFAOYSA-N 372.377 2.036 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 41671435 ZFIRPWGZXNJDOR-LBPRGKRZSA-N 356.513 2.028 0 40 FEAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@@H]1CCCC[C@@H]1C 104729005 BPKWXPILWZNTSW-HEHGZKQESA-N 371.437 2.174 0 40 FEAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)NCc1ccco1)n2C 12324406 MBTKSZOSAYHIPJ-LBPRGKRZSA-N 355.394 2.215 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180083 RUVXEPUYLJAVQG-KGZPDETFSA-N 358.438 2.094 0 40 FEAB C[C@H](Cn1cccn1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 24807590 BNEPXMOAHPSIRI-OAHLLOKOSA-N 373.416 2.401 0 40 FEAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 52410421 MGIGELHEQYLUGV-ZDUSSCGKSA-N 373.261 2.368 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489848 DRDCLKWJAXSYFS-UHFFFAOYSA-N 357.435 2.049 0 40 FEAB C[C@@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@H](O)/C=C/C(=O)O1 100133496 ZZWKZQDOSJAGGF-XWFMRZRISA-N 365.470 2.075 0 40 FEAB in-vitro C[C@@H]1CCN(C(=O)COC(=O)c2ccc[nH]c2=O)c2ccccc2S1 11424889 YINPNYBNFFHRCT-GFCCVEGCSA-N 358.419 2.449 0 40 FEAB Cc1ccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(C)c1 12775345 BFZQBTQAYHCWEG-UHFFFAOYSA-N 365.433 2.355 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(OC)c(C)c(OC)c2)C1 48333988 LHXCYTNRFJJCFW-CQSZACIVSA-N 350.415 2.363 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)C[C@@H](C)O1 12928752 USAGPZWZIKJZHW-VXGBXAGGSA-N 355.485 2.082 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 8772602 JFPBWGJBEBNYHA-UHFFFAOYSA-N 374.418 2.323 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CCn2c(C)nc3ccccc32)CC1 5353040 XBCDHMCTPKSRNX-UHFFFAOYSA-N 358.442 2.472 0 40 FEAB Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc(O)c(Cl)cc12 9484349 NZZCQVGAXLTNNA-UHFFFAOYSA-N 352.818 2.071 0 40 FEAB Cc1nc2c(s1)CN(C(=O)CNC(=O)Cc1ccc(Cl)cc1)CC2 6764270 PEKVBICWSIECLQ-UHFFFAOYSA-N 363.870 2.349 0 40 FEAB C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@@H](c2ccccc2)O1 67831195 INSQMMGXUQMZKJ-PBHICJAKSA-N 357.410 2.067 0 40 FEAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024597 IFSJXCYDBHORNJ-VPCSNGCSSA-N 373.428 2.001 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 25055678 LQQXEJKDNNHHGW-GOSISDBHSA-N 371.389 2.014 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccn1)NCCCn1cnc2ccccc21 8136676 YBECRUQKOIBWCL-UHFFFAOYSA-N 371.828 2.021 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1 23735698 LQZVUSNFRPNKGE-UHFFFAOYSA-N 352.390 2.471 0 40 FEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H](O)C(=O)OC(C)(C)C)c1 95456549 FZCDXJYZJLRIJY-DGCLKSJQSA-N 357.834 2.235 0 40 FEAB COc1ccc(S(=O)(=O)N2CCNC(=O)c3ccccc32)cc1Cl 95466286 LEJKEBORHXTZTM-UHFFFAOYSA-N 366.826 2.287 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)Nc3ccnc(C)c3)CC2)cc1 179804920 DUSUKLHLSQMCQR-UHFFFAOYSA-N 354.410 2.389 0 40 FEAB COc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccc(C)cc4)=NO[C@H]3C2=O)cc1 3849218 UPKLGNZIGILXLA-MAUKXSAKSA-N 364.357 2.131 0 40 FEAB biogenic O=C1N=C(O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccco1 33606745 SHKWHOZTQOHXPP-GXDHUFHOSA-N 371.349 2.212 0 40 FEAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217497070 FLGIPDYZGQMYGX-DGCLKSJQSA-N 356.444 2.053 0 40 FEAB C[C@@H](NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 70895795 JIEOVQHCIGCBNL-MRXNPFEDSA-N 366.465 2.292 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](c2cccnc2)C1 566357520 ATYFRZNJZDTVPK-KBXCAEBGSA-N 353.422 2.274 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(CO)CO)cc1 218450846 DDVMTRPHKLXDEF-DLBZAZTESA-N 350.411 2.045 0 40 FEAB COc1ccc2cnn(Cc3nc(-c4ccco4)no3)c(=O)c2c1OC 40284208 PLOUPJDJLATHRN-UHFFFAOYSA-N 354.322 2.105 0 40 FEAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856974 BKASIIDRFYEEGN-ZDUSSCGKSA-N 372.487 2.182 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 46063200 TVEPOLWCTGHBLN-RRFJBIMHSA-N 363.458 2.483 0 40 FEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 85468231 ZEZDOCFDBYMFPR-AWEZNQCLSA-N 351.441 2.453 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H]1Cc2ccccc2CO1 225785417 LUHGNAGZFUCOOF-KRWDZBQOSA-N 359.447 2.108 0 40 FEAB O=C(NCc1ccccc1F)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344299 UTQJQXDKRGQQPP-ZDUSSCGKSA-N 352.369 2.371 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccccc2F)n1 95476908 MTXQYQJWVMQSPT-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB O=S1(=O)NCC2(CCN(Cc3ccco3)CC2)COc2ccccc21 96037110 TXQXGXWTSBWZQX-UHFFFAOYSA-N 362.451 2.233 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1 95478329 LRWTYMVGOKIRTD-OWCLPIDISA-N 365.433 2.247 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(C2CC2)n1 604382167 ILCBFGPWRHSWIA-HNBVOPMISA-N 371.456 2.183 0 40 FEAB biogenic,in-vitro Cc1nc(O)cc([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1 257268235 MKTTZYNENHERSQ-KRWDZBQOSA-N 350.378 2.253 0 40 FEAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncc[nH]2)CC1 257232800 GMLSCSVORLXLSU-LJQANCHMSA-N 360.433 2.038 0 40 FEAB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCC1)C2 604381713 LLGWPCDZPKIIOH-LJQANCHMSA-N 370.497 2.232 0 40 FEAB biogenic,in-vitro COCCN(C)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C 257275599 NQAFMCJYSMYVGQ-MJGOQNOKSA-N 362.470 2.026 0 40 FEAB Cc1nn(C)cc1-c1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCC[C@H]2[C@]4(C)C3)on1 257264075 LSUQAJQOAAUBQU-UUZHKXTQSA-N 369.469 2.471 0 40 FEAB CN(C)c1nc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257328855 XHJQTNKJEMPWGJ-FQEVSTJZSA-N 364.453 2.384 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Oc2c(C)cc(C(N)=O)cc2C)cc1 256055268 ZZXGUWZNZGXUML-UHFFFAOYSA-N 362.407 2.128 0 40 FEAB Cc1c(C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)nc(O)c2ccccc12 655123450 SHICTRRXRYINMR-VBQJREDUSA-N 356.422 2.251 0 40 FEAB COc1c(CNC(=O)[C@@H]2CC[C@H](C(=O)O)N2C2CC2)oc2ccccc12 663227369 QNJUKHGUMQSLLB-UONOGXRCSA-N 358.394 2.138 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(Cc3scnc3C)CC2)C1 585102722 BXKQAQQBXFYYJV-INIZCTEOSA-N 353.532 2.258 0 40 FEAB O=C1N(Cc2cncs2)C[C@]12CCCN(Cc1cnc(Cl)cn1)C2 585099395 HWSCBUFOOUEXCY-MRXNPFEDSA-N 363.874 2.211 0 40 FEAB CC(C)CN1C[C@]2(COCCN(c3ncnc4ccsc34)C2)CC1=O 585104550 QBGXSTZSDMSNJZ-SFHVURJKSA-N 360.483 2.403 0 40 FEAB O=C(C1=CCCC1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1 585097048 GWOSPXHXXMYQMK-OAHLLOKOSA-N 350.413 2.435 0 40 FEAB Cn1cnnc1N1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)CC1 585090760 FXSAFGXNGHNODV-UHFFFAOYSA-N 374.420 2.097 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)NCc3cc(C4CC4)ncn3)CC2=O)c1 585360592 MOPBZILUXHOXAR-AWEZNQCLSA-N 366.421 2.032 0 40 FEAB COc1cc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc(OC)c1OC 12321218 XTERJQOCLWDCMG-UHFFFAOYSA-N 373.344 2.080 0 40 FEAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346406 AFIDILLIPWIVSX-QGZVFWFLSA-N 353.378 2.329 0 40 FEAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12851780 REONEOOQMFGXCG-UHFFFAOYSA-N 363.732 2.444 0 40 FEAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 13636724 BIDSUTJVVLGBAM-OAHLLOKOSA-N 364.829 2.119 0 40 FEAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C 14135369 GWHIYBVKIXOZCR-NSHDSACASA-N 355.334 2.061 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 14796114 ZTTYRSOTOXIDFX-AWEZNQCLSA-N 372.421 2.477 0 40 FEAB NC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 16816298 ONOHLMFEZOALND-UHFFFAOYSA-N 369.345 2.139 0 40 FEAB Cc1cnc(-c2nnc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)o2)cn1 19239209 WTPWCMFOACHYLL-ZDUSSCGKSA-N 371.422 2.013 0 40 FEAB O=C(Cc1ccncc1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19687782 LVSLKCMFVDWPBQ-IBGZPJMESA-N 361.405 2.076 0 40 FEAB COc1ccc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1OC 19937351 GWMSBSDAKSJJRK-UHFFFAOYSA-N 365.389 2.384 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 9156999 IIWOTFXWOMORPN-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@@]12C 35465119 LLKIVVHUJOPYIV-AWBBWKOPSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro O=S(=O)(CCOc1ccccc1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889205711 XFQRLQGYRXABMC-AEFFLSMTSA-N 373.478 2.001 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(C)(C)N1CCOCC1 23718018 YPMMJNFXYPHPAW-UHFFFAOYSA-N 356.470 2.330 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCN(CCOc2ccccc2)CC1 22019201 QXWXFMQPMZWUMB-UHFFFAOYSA-N 364.442 2.211 0 40 FEAB Cn1cc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)cn1 1776000959 RIKFLVGJHGBLQM-UHFFFAOYSA-N 355.442 2.409 0 40 FEAB O=C(c1cncs1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978246 KSHYIAATYOEGLP-SFHVURJKSA-N 357.435 2.039 0 40 FEAB CCc1cc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)no1 2037984563 FXHLBDZUNKLDRP-HXUWFJFHSA-N 369.421 2.133 0 40 FEAB c1cc(-c2ccnc(N3CCN(c4ncnc5cnccc45)CC3)n2)ccn1 2087048827 JOSKFFYEHDMBHP-UHFFFAOYSA-N 370.420 2.203 0 40 FEAB COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3ccccc32)cc1OC 4987791 LHRHWFURKDERGA-FQEVSTJZSA-N 355.390 2.417 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1cc2ccccc2oc1=O 5220720 HFPIRXZCHMDCNZ-CQSZACIVSA-N 366.348 2.467 0 40 FEAB O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1cccs1 10691778 XIMDCPXLWPSUHG-UHFFFAOYSA-N 363.420 2.400 0 40 FEAB O=C(c1cscn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055754590 GHUZGCMCFATECJ-UHFFFAOYSA-N 370.478 2.462 0 40 FEAB O=C1CC[C@@H](C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)N1 2086861040 ANDXILPBENRMNR-HNNXBMFYSA-N 358.829 2.268 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1F 19559585 XMCRZPCXUDUIPG-KRWDZBQOSA-N 370.428 2.176 0 40 FEAB COc1cc2c(cc1OC)/C(=C/c1ccccc1OCC(N)=O)C(=O)N2 55175324 BOVFJKGSXRLULK-QPEQYQDCSA-N 354.362 2.061 0 40 FEAB CCOC1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 50128770 QGEOBPQUJYRVGR-UHFFFAOYSA-N 374.529 2.015 0 40 FEAB CCN(C(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)C1CC1 40120341 AAKHHOJKBDPJQL-IBGZPJMESA-N 355.482 2.047 0 40 FEAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccccc3)[C@@H]2C1=O 100933674 WRJOXENWIHHHEC-AEFFLSMTSA-N 363.373 2.018 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(O)cc3)CC2=O)c(OC)c1 20739296 MVRHAXXHHJIHIG-LBPRGKRZSA-N 356.378 2.401 0 40 FEAB CCOC(=O)Cc1csc(SCC(=O)Nc2nnc(C(C)C)o2)n1 32831968 SQCWFRZRQDMLHD-UHFFFAOYSA-N 370.456 2.486 0 40 FEAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)NC[C@H]1CCCO1 32957442 HALIEASLPQGYRQ-CHWSQXEVSA-N 362.455 2.052 0 40 FEAB Cc1sc2ncnc(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)c2c1C 29831565 TZLIFZCCDYMPFA-HUUCEWRRSA-N 362.499 2.457 0 40 FEAB CC(C)N(C(=O)COC(=O)[C@H](C)NC(=O)c1ccco1)c1ccccc1 2655742 UGVKPFILFBEFTG-AWEZNQCLSA-N 358.394 2.383 0 40 FEAB Cc1cc(Cl)c(Cl)cc1C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO 2045472 JNKGGFUQXBYSFQ-CQSZACIVSA-N 362.253 2.370 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)Nc3nnc4cc(C)ccn34)CC2=O)cc1 79071565 UJWNYAYSQKUKFV-INIZCTEOSA-N 363.421 2.333 0 40 FEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3ccncc3)cc2O1 79192031 FGGULHNJQDUXQJ-UHFFFAOYSA-N 370.405 2.269 0 40 FEAB biogenic O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C1(O)CCCC1 103203080 NCFHVFSQODFZDZ-ZDUSSCGKSA-N 353.260 2.449 0 40 FEAB CC(C)[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801611 AASMSBLZVNSKGP-CQSZACIVSA-N 362.470 2.418 0 40 FEAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 10009580 OWWSQZIMXSPGHE-UHFFFAOYSA-N 368.480 2.340 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 61468565 MAEMVJCOHVQNAE-INIZCTEOSA-N 372.352 2.184 0 40 FEAB CCOC(=O)c1cc(C)n(CC(=O)NCCCn2nc(C)cc2C)c1C 23246661 IBYVMGJTFCKQNQ-UHFFFAOYSA-N 360.458 2.301 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)cc1 8729453 HYQLKHMKUVASHB-UHFFFAOYSA-N 366.370 2.064 0 40 FEAB Cc1[nH]c(SCc2nc(N)nc(N(C)C)n2)nc1Cc1ccccc1 12469191 PTTZAGGBGVMMKY-UHFFFAOYSA-N 355.471 2.434 0 40 FEAB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)O 1158270 QUVPFPIKQQRYPJ-GHXNOFRVSA-N 353.421 2.380 0 40 FEAB C[C@H]1CCCN([C@H](C)CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 105682066 WRBCFWLPJJFROZ-LSDHHAIUSA-N 359.474 2.458 0 40 FEAB CCc1c(C(=O)NCCNC(=O)c2ccco2)cnn1-c1ccc(C)cc1 24472008 GSDQBZIFTTXRNT-UHFFFAOYSA-N 366.421 2.496 0 40 FEAB Cn1cc(CN2CCC3(CCCN(Cc4ccncc4)C3=O)CC2)cn1 108525401 QDHUVHBSFFWCSL-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)C1 107534678 RVUDBEBEBYSRMS-HTBDUDNFSA-N 361.530 2.355 0 40 FEAB COc1cc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C 54282464 XDNJWHBMQKSMGO-UHFFFAOYSA-N 352.390 2.306 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 28255473 KVJZBDXENHZDBM-CQSZACIVSA-N 351.406 2.346 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 108086596 XRQNWQARBFMLNC-UKTHLTGXSA-N 358.375 2.497 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)C1 12682016 NGMOXEWVPQEXKE-CALCHBBNSA-N 358.486 2.341 0 40 FEAB COc1ccc(-c2nnn(-c3c(C)c4ccccc4[nH]c3=O)n2)cc1OC 57964075 ZMWOLTXMYQJHQY-UHFFFAOYSA-N 363.377 2.496 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cs1 44852764 SPFVFCOPZUVIGQ-ZDUSSCGKSA-N 364.471 2.292 0 40 FEAB NC(=O)[C@@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1 27771418 YGSNEDDWVYQGCX-SJORKVTESA-N 368.389 2.188 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC=CO1)c1ccco1 97103219 MGVWILSTXBOTJB-DLBZAZTESA-N 354.406 2.430 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 26536226 KLOCLHQNHFKRQM-UHFFFAOYSA-N 362.817 2.047 0 40 FEAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(N)=O)cc1 22232914 DPIYXBRLFNQMAU-UHFFFAOYSA-N 368.842 2.170 0 40 FEAB O=C(CNC(=O)c1nc(Br)cs1)OCc1ccccc1 97102742 RGZVCYDAZNNMNB-UHFFFAOYSA-N 355.213 2.379 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1N 2389993 PXGYHZYRVMJZDV-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1F 45947276 BDISMBRBNAFXSQ-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB C[C@@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1 48374030 RQERMNGMUJDISH-GFCCVEGCSA-N 355.369 2.493 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cn2)c1 12856185 LMRXLGIETWYUAK-UHFFFAOYSA-N 362.817 2.253 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-n2cncn2)cc1 12855232 LXEHJEKGQMGVLC-GFCCVEGCSA-N 363.377 2.089 0 40 FEAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 12910337 QXPYZZVXYJCHBH-VXGBXAGGSA-N 368.480 2.344 0 40 FEAB CCc1c(C)sc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1C(=O)OC 13320175 JHNSFEBUHGNGSR-QWRGUYRKSA-N 354.472 2.453 0 40 FEAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 8803068 DPIXGCQGDCWXAG-UHFFFAOYSA-N 354.362 2.111 0 40 FEAB COc1ccc([C@@H]2NN(C)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 19171812 YCILQXDYTKVXSL-BZSNNMDCSA-N 351.406 2.053 0 40 FEAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC(N)=O 4516088 LXVWIKYDAZWHFV-LLVKDONJSA-N 371.422 2.262 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 5564745 IMMTWASCOSNBPV-UHFFFAOYSA-N 356.378 2.388 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 9112579 ZBHCBLQKNSSCOL-QGZVFWFLSA-N 350.374 2.299 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCCC2)cc1 7200591 BTWKXEGIMMHICJ-UHFFFAOYSA-N 370.453 2.480 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(N)=O 9337859 IOPONHITQUEFBR-UHFFFAOYSA-N 356.378 2.288 0 40 FEAB COc1ccc(/C=C/C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1 7871580 MVXDTMVNFJKCLQ-YRNVUSSQSA-N 353.422 2.348 0 40 FEAB O=C(CCc1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 8113003 AYOCKCWSJCSHBN-UHFFFAOYSA-N 353.451 2.368 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)c(C)c1 8379026 UTQRAELMGIAYTQ-UHFFFAOYSA-N 362.451 2.352 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(Cc2ncc(C(C)(C)C)o2)CC1 71804925 TWVZTNLBUZWGGR-INIZCTEOSA-N 362.518 2.491 0 40 FEAB O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccnc(OC2CCCCC2)c1 89243884 IFMGZGXHGDJFFK-GOSISDBHSA-N 359.470 2.386 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1Cl 408586461 AHHZPZJPEWQDRW-LLVKDONJSA-N 374.890 2.464 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1 2202882 NVIWNXPQHBCMDR-UHFFFAOYSA-N 359.378 2.048 0 40 FEAB aggregator,biogenic Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36071042 ODIUAHKJPKFCOH-GOSISDBHSA-N 356.447 2.125 0 40 FEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(OC)c(Cl)c2)c1=O 225967720 OZOVCBWJZYVZLM-UHFFFAOYSA-N 350.758 2.274 0 40 FEAB COc1ccc(N(CCCC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 223262924 UAGIGFIKEUMTHW-UHFFFAOYSA-N 368.499 2.500 0 40 FEAB COC(=O)Cc1nn(CC(=O)Nc2ccc(C)cc2)c(=O)c2ccccc12 41107426 YYMMCLVVFTVSEA-UHFFFAOYSA-N 365.389 2.059 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3C)no2)CC1 41184327 DBCNPNKRESRGAC-UHFFFAOYSA-N 372.425 2.278 0 40 FEAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 224919761 FGYFGRJMARNUOY-UHFFFAOYSA-N 359.325 2.472 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1C 222412000 AHOXZZUUWXAPPA-INRFCZIPSA-N 350.418 2.359 0 40 FEAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@H]1O 514288841 GLDCCLFEHIIQPE-GBESFXJTSA-N 368.468 2.457 0 40 FEAB biogenic,in-vitro Cc1occc1C(=O)N1CC[C@H](N(C)Cc2cccnc2)C[C@@H]1C(=O)O 96198747 KGVIYGNQUJLCFP-DOTOQJQBSA-N 357.410 2.173 0 40 FEAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccs2)C1 96057726 DNJAWPARKQGVDL-NWANDNLSSA-N 360.435 2.277 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccncc2)CO3)on1 96106883 NBVMRLPHSZGRKJ-MRXNPFEDSA-N 357.410 2.359 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)NCc1cccnc1 96207423 WWTLRKBPOMMHQG-QRVBRYPASA-N 355.438 2.218 0 40 FEAB CC(C)Cc1ccc([C@H](C)c2nc(NC(=O)CCn3cnnn3)n[nH]2)cc1 583652730 UTMIYXQREGFHFK-ZDUSSCGKSA-N 368.445 2.170 0 40 FEAB NNc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc12 98212987 ROSJTUOYLZHYEW-UHFFFAOYSA-N 374.813 2.049 0 40 FEAB Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2cccnc2)C3)cs1 96108916 BBLKJSNPDJKMQB-QAPCUYQASA-N 359.451 2.152 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2 96227033 FFJGSHYIYKVMSM-WIYYLYMNSA-N 364.449 2.320 0 40 FEAB Cc1c(C(=O)N[C@]2(CO)COc3ccccc3C2)oc2c1C(=O)CCC2 529823127 PLSJPBDJYLNHKO-HXUWFJFHSA-N 355.390 2.203 0 40 FEAB CCCc1cc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)no1 257327942 XDLOIADKCILHIT-UHFFFAOYSA-N 355.398 2.395 0 40 FEAB Cc1noc([C@@H](NC(=O)c2ccc3cnc(C)n3c2)C2CCOCC2)n1 585081222 PUVQJGDLYALPRU-INIZCTEOSA-N 355.398 2.232 0 40 FEAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH]1 257257143 KOFLRAHKUYCHJF-CQSZACIVSA-N 351.410 2.157 0 40 FEAB CN1CCN(C(=O)CN2CCCC2)C[C@H](Cc2cncc3ccccc23)C1 257274259 NKFPLAOAFVJOIQ-GOSISDBHSA-N 366.509 2.263 0 40 FEAB CO[C@@H]1CN(CC(=O)N2CCSc3ccccc32)CC[C@@]12CCCO2 257268546 MMESZNAZQIFSRD-MJGOQNOKSA-N 362.495 2.395 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257322531 WGJCUQPPSCRJQP-QGZVFWFLSA-N 359.401 2.266 0 40 FEAB O=C(CN[C@@H]1CCO[C@H]1c1cc[nH]n1)N1CCC(Cc2ccccc2)CC1 625580166 ITZRIIMUSXGHAE-WIYYLYMNSA-N 368.481 2.311 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2Cl)C1 1119524332 KWBDHKXEBYGENL-BLLLJJGKSA-N 370.840 2.305 0 40 FEAB CCCn1c(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)nc2ccccc21 643754608 AWXKPSFXBWAHLY-HXUWFJFHSA-N 358.486 2.252 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)c(C)o1 676842673 CRKMOBZVIINGIL-OAHLLOKOSA-N 370.453 2.076 0 40 FEAB CO[C@@H]1C[C@H](CN[C@H](C)c2ccc3c(c2)OCO3)N(c2ccncn2)C1 1775959797 YOQAUEILVMCSGQ-FVQBIDKESA-N 356.426 2.150 0 40 FEAB CNC(=O)[C@@]1(C)CCCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C1 585282783 HUQKISLVJVCQNW-FQEVSTJZSA-N 359.514 2.174 0 40 FEAB C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 196486219 KVIOMDMYQSLLQA-LMJNLGRISA-N 356.374 2.453 0 40 FEAB biogenic,in-vitro C[C@@H](NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1 585188703 JFVTTZVEIMSUKY-HIFRSBDPSA-N 373.478 2.222 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12337818 ZPPCJGZVGHBGQL-MRXNPFEDSA-N 368.441 2.461 0 40 FEAB O=C(NCCCN1CCOCC1)Nc1c[nH]c2c(Cl)cccc2c1=O 13565986 OYTWQICWPYCRBK-UHFFFAOYSA-N 364.833 2.025 0 40 FEAB CCc1ccccc1NC(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1 13700445 IXVDHLGSGAVNBX-UHFFFAOYSA-N 365.441 2.349 0 40 FEAB CCCOc1ccc(Cn2c(=O)c3sccc3n3c(=O)[nH]nc23)cc1 14001369 LFVTYEVJBVNZOZ-UHFFFAOYSA-N 356.407 2.236 0 40 FEAB OCCOc1ccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cc1 19374934 RRBFFWCJOKDTMJ-LJQANCHMSA-N 368.477 2.494 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 19404356 NJCDRIUUJSSFKC-HNNXBMFYSA-N 356.474 2.071 0 40 FEAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2nnc3n2CCNC3)C1 19711037 NQPIRIIEBKTRSO-HNNXBMFYSA-N 373.888 2.374 0 40 FEAB O=C(N/C(=C\c1ccco1)C(=O)N1CCC[C@H](CO)C1)c1ccccc1 4648901 DQIHSPDOWNABKK-BRYHAGSVSA-N 354.406 2.281 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1nonc1N 19589090 UFEJMBOKFAMPMJ-WDYCEAGBSA-N 369.469 2.063 0 40 FEAB NC(=O)c1cc(OC2CN(Cc3cc(Br)cs3)C2)ccn1 1889114129 SWFLAJLDRZKYBQ-UHFFFAOYSA-N 368.256 2.268 0 40 FEAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)NC3CCCCC3)[C@@H](C)C[C@H]21 1775964420 RIVOBDGWQWRWJI-QMCVQRASSA-N 351.491 2.138 0 40 FEAB biogenic,in-vitro O=C1[C@H](N2CCc3nc4ncccc4cc3C2)CCN1CC(F)(F)F 2086934467 AUSJNDZUVYPFRC-CQSZACIVSA-N 350.344 2.151 0 40 FEAB O=C(c1ccnc(C(F)(F)F)c1)N1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 1565552352 ZZNHASKGMCLJHY-KGLIPLIRSA-N 355.360 2.036 0 40 FEAB CN1CCC(N(C)C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374265 XZYAOJOHSAEQAO-CQSZACIVSA-N 364.877 2.181 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)s1 8048361 JKFIKAQBWVIPDI-UHFFFAOYSA-N 366.468 2.320 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1cccs1 12422929 IPTKONSDVZNRDP-UHFFFAOYSA-N 374.447 2.004 0 40 FEAB CC(C)(C)c1nnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086856783 NBOHAJRPSVUXIK-LLVKDONJSA-N 374.457 2.299 0 40 FEAB O=C(NCc1cncc(N2CCCC2=O)c1)c1ccc2nsnc2c1 575620874 WFRPDKDUZZEFCK-UHFFFAOYSA-N 353.407 2.143 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(C(=O)N(C)C)CC1 585148436 RYNDTVYQDGRLKH-UHFFFAOYSA-N 373.906 2.320 0 40 FEAB CCOC(=O)c1c(SCC(=O)OCc2ccccc2)nc(=O)[nH]c1C 4317565 FSJKVUGKLVFRDS-UHFFFAOYSA-N 362.407 2.091 0 40 FEAB CC(C)N(CCCNC(=O)c1ccc(F)cc1Cl)S(C)(=O)=O 40108585 XIWBPSFWSKNEDL-UHFFFAOYSA-N 350.843 2.269 0 40 FEAB Cn1cc(-c2nc(C(=O)Nc3ccc(N4CCNC4=O)cc3)cs2)cn1 40144330 LEZCABZMNMZUBR-UHFFFAOYSA-N 368.422 2.326 0 40 FEAB Cc1cccc(OCCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 21506934 JGXZTWTXXJWZHS-UHFFFAOYSA-N 354.328 2.371 0 40 FEAB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(N)s1 32922232 LTVBHRJYRIVYNI-UHFFFAOYSA-N 359.451 2.144 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 77957147 FPPAKTCIQZNJKX-ZDUSSCGKSA-N 352.866 2.034 0 40 FEAB O=C(CNc1cc(C(F)(F)F)ccc1F)N1CCN(C(=O)C2CC2)CC1 102767232 VUTDPMPNOMJLHL-UHFFFAOYSA-N 373.350 2.337 0 40 FEAB CSC(=S)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 22057804 ABYFQWZWTAVGKO-UNQZSWDGSA-N 350.458 2.047 0 40 FEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 6442554 KGDXJTCTVJEABL-OAHLLOKOSA-N 370.405 2.161 0 40 FEAB Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 12249675 XIAHLAQVXKOHCK-UHFFFAOYSA-N 373.434 2.325 0 40 FEAB O=C1OCCN1c1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1 47266718 FRPSNGFIWCXXSK-UHFFFAOYSA-N 364.398 2.402 0 40 FEAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(O)cc1O 9691901 WWUUFQXXXHPSJC-UHFFFAOYSA-N 371.418 2.200 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 47694700 NPOLSDQSRDYOPK-SECBINFHSA-N 366.830 2.388 0 40 FEAB Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1C 24739230 POHAJPUVDMGCGW-INIZCTEOSA-N 371.481 2.491 0 40 FEAB COc1cc(C(=O)N2CC(O)(C3CC3)C2)ccc1OCc1cscn1 97105273 RPEUAAKZGMNQQM-UHFFFAOYSA-N 360.435 2.328 0 40 FEAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc2c(c1)OCCO2 25055609 GVRRNTNZUVLWSF-UHFFFAOYSA-N 354.284 2.277 0 40 FEAB O=S(=O)(NCc1ccc(N2CCCCC2)nc1)c1ccc2c(c1)CCO2 56071142 ISORYLOXUGEEFP-UHFFFAOYSA-N 373.478 2.485 0 40 FEAB CCOC(=O)C1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 57327648 BTYBUUJMDVTPDW-ZDUSSCGKSA-N 364.442 2.264 0 40 FEAB CCOC(=O)/N=c1\ss/c(=N/C(=S)N(C)C)n1-c1ccccc1 104276869 OCCPLNGXISLYIY-SWPSDAPNSA-N 368.509 2.405 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22522000 BSYLDJYSZTYREQ-QGZVFWFLSA-N 352.500 2.187 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccnn2C)c2ccccn2)CC1 100750349 GOJYFXHNFDYBRB-FCEWJHQRSA-N 369.469 2.229 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccnc1 2373230 QDFWQDWJWBMAPK-UHFFFAOYSA-N 362.365 2.063 0 40 FEAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 12774845 GSFZTAYSJWVIEY-NSHDSACASA-N 352.843 2.407 0 40 FEAB COc1ccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)cc1 2366905 UCVGHUMELVMNPM-LFIBNONCSA-N 365.414 2.383 0 40 FEAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nccs1 36592889 SKENOTFAGVDUCN-CYBMUJFWSA-N 358.423 2.229 0 40 FEAB CCOc1ccc(OCC(=O)NCCc2nnc3n2CCCCC3)cc1 48339908 PRAJATLNUUKODG-UHFFFAOYSA-N 358.442 2.141 0 40 FEAB CC(=O)NCc1ccc(C(=O)COC(=O)COc2ccc(C)cc2)s1 24724403 LOCLSMSXCDXQHG-UHFFFAOYSA-N 361.419 2.498 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c1 4001817 KRVAMTIHIOPOLY-UHFFFAOYSA-N 351.380 2.132 0 40 FEAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccccc1-c1ccccc1 4334308 NAZLIQCXDGXLKO-ZDUSSCGKSA-N 365.389 2.490 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)cc1 5213447 KFTFIESSYOYNOV-UHFFFAOYSA-N 371.422 2.259 0 40 FEAB Cn1nc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)ccc1=O 5266968 BWBOLMHFGGJRHI-SFHVURJKSA-N 373.416 2.370 0 40 FEAB COc1ccccc1COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 6369128 BHIMAWWZERYETD-ORAYPTAESA-N 360.410 2.239 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1cccs1 14084179 YIMHRCVAAKZDRP-SGTLLEGYSA-N 357.435 2.393 0 40 FEAB CCCN(C)C[C@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 72309889 QXPNKHQYBVDZCK-MRXNPFEDSA-N 367.515 2.427 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc2c(c1)OCCCO2 6654613 MDVGPRGHVVRDQE-UHFFFAOYSA-N 351.362 2.197 0 40 FEAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)COc1ccccc1 25185489 HDXSMIUSFOEIBZ-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB CCN1C[C@@H](CN(C)C(=O)[C@@H](C)NC(=O)C2CCC2)Oc2ccccc21 70019615 VGBOLMPHTSGKIB-GDBMZVCRSA-N 359.470 2.037 0 40 FEAB CONC(=O)Nc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C 16956011 XVILNRGJKUYHOQ-UHFFFAOYSA-N 356.429 2.244 0 40 FEAB c1csc(Nc2nc(Nc3nccs3)nc(N3CCOCC3)n2)n1 28047314 OOYZRBPKJIIRNH-UHFFFAOYSA-N 362.444 2.108 0 40 FEAB C[C@H](C(=O)NCCc1n[nH]c(-c2ccco2)n1)N1CCc2ccccc21 97212456 KDVHPRXMXNRBMG-CYBMUJFWSA-N 351.410 2.175 0 40 FEAB COc1ccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 19902184 DULGAEXAVKMRAP-UHFFFAOYSA-N 362.470 2.225 0 40 FEAB Cc1ccc(C(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924223 BTCHGVBKIWCOIK-UHFFFAOYSA-N 350.426 2.429 0 40 FEAB COCc1n[nH]c(-c2cccc(NC(=O)c3[nH]nc4c3CCCC4)c2)n1 95474205 WAEXXDHPPKKXOK-UHFFFAOYSA-N 352.398 2.472 0 40 FEAB COc1cccc(CCC(=O)Nc2cccc(CN3CCOCC3)n2)c1 95981953 VWZNZYFVEAUJOL-UHFFFAOYSA-N 355.438 2.494 0 40 FEAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc(Br)cc1 408732653 XCBWAWLREDIDBA-GFCCVEGCSA-N 354.204 2.226 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(CC3CCCC3)C[C@H]1C2 306128463 HAWXMLVUIRMLAH-HZPDHXFCSA-N 357.502 2.245 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1C[C@H]3CCCCN3C1=O)C2 556658860 BOYCYTADFDBHGN-QAPCUYQASA-N 369.465 2.405 0 40 FEAB O=C(NC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 39397035 YTQKWTMXEWAKAJ-MRXNPFEDSA-N 372.377 2.292 0 40 FEAB CC(=O)Oc1ccc2occ([C@@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 74938356 PFFPHYYANJHODY-HUUCEWRRSA-N 363.391 2.285 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)C2(CO)CO)cc1 218455484 LYOPLRMOXKFYNR-IAGOWNOFSA-N 350.411 2.045 0 40 FEAB CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COC3)cc1 71297044 HQTQDAGTXZUDOH-UHFFFAOYSA-N 369.425 2.152 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)N[C@H]3CCOC3(C)C)CC2)cc1 562602032 MHLLVSZRZLSGPS-SFHVURJKSA-N 361.486 2.480 0 40 FEAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccoc3)n(C)n2)c1 77101343 HUEPBFUZXQIFFX-QGZVFWFLSA-N 371.393 2.161 0 40 FEAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)c1C 40283440 BVXQWYYKABMTPI-UHFFFAOYSA-N 369.347 2.189 0 40 FEAB Cc1ccc(O[C@H]2CCCN(C(=O)c3c(C)nc4ccccn34)C2)nn1 225461672 RQNJWKULTLGTTN-HNNXBMFYSA-N 351.410 2.425 0 40 FEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C)c1 226390243 SRQKXODYLGHJSE-WVXCVLBUSA-N 350.418 2.359 0 40 FEAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccccc1 224344346 SFXABNCHGUCYOI-UHFFFAOYSA-N 361.471 2.334 0 40 FEAB Cc1cc(=O)c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c[nH]1 332880562 CESRTQHXQYEGJH-UHFFFAOYSA-N 374.828 2.223 0 40 FEAB CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2 96259264 FIRMRSVOTPMDNG-UHFFFAOYSA-N 368.528 2.379 0 40 FEAB O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 579921794 OCNCCLLYRMOTTR-SFHVURJKSA-N 374.466 2.305 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCc1cccnc1 96208215 ASAORKIWBLLBBR-OKZBNKHCSA-N 357.479 2.439 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)[C@@H]1CC=CCC1 96044474 JXKPQKXDFDUYKE-QAPCUYQASA-N 352.438 2.413 0 40 FEAB Cc1ccc(CN2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)s1 96056401 CGPWPXQKKIQOSJ-DJIMGWMZSA-N 352.500 2.283 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247806388 BJPMJWWBYURJKK-MRXNPFEDSA-N 356.397 2.460 0 40 FEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2ccc(C)nc2)C3)nc1 253600444 NJJBVJJOKRVCQD-QGZVFWFLSA-N 367.453 2.222 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccc(OC)cc1 257344426 ZXDVVRCJPKAXPE-QUCCMNQESA-N 373.497 2.159 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)Cc1ccccc1Cl 260798214 QLASBWDRIRDIED-HEHGZKQESA-N 370.902 2.406 0 40 FEAB CC(=O)c1ccc(C(F)(F)F)nc1N1CCC[C@H](c2nnc(N)o2)C1 641658399 FGSZLFMIHMKBEC-VIFPVBQESA-N 355.320 2.652 0 40 FEAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2)cn1 62062106 VUVLVJDTMRCUPQ-UHFFFAOYSA-N 356.426 2.191 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615155098 HTVLGRKONNKEMH-LJQANCHMSA-N 373.384 2.160 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 5274323 QGIOSNKSAGNDTM-CYBMUJFWSA-N 356.451 2.038 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3c2c1C 12181260 VDYPDQPRHKGUOF-PHIMTYICSA-N 373.482 2.227 0 40 FEAB CC[C@@H]1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12183717 LUVXQHNPQNWVIV-CQSZACIVSA-N 358.442 2.493 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCc1cccs1 12890860 HDCQUGJSYHMFCW-UHFFFAOYSA-N 366.508 2.436 0 40 FEAB Cc1cccc(C)c1OCC(=O)N1CCN(CCc2ccccn2)CC1 15669923 QSAMHVYYYNWQRK-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB CCCc1cc(C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)no1 19525275 NZOQLCLABWVXRP-GFCCVEGCSA-N 352.394 2.493 0 40 FEAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCCC1 2664809 FIRZULFMEHVBQJ-UHFFFAOYSA-N 363.417 2.104 0 40 FEAB CCC[C@H](C)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311397 BYDNNYXKCKCHOW-QMMMGPOBSA-N 351.428 2.063 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2nc3ccc(F)cc3s2)C1)C1CC1 1889139416 NTSVBADQIRQLNH-NSHDSACASA-N 355.460 2.486 0 40 FEAB O=C(c1ccnc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25384705 HSWVTALIQNTMTR-UHFFFAOYSA-N 359.813 2.422 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(c3ncnc4[nH]cnc34)CC[C@H]21 2037843806 KBBRVNNGSCQLSR-BRWVUGGUSA-N 362.437 2.194 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cn1 2037984827 OYLIALQDZBYUNH-MJGOQNOKSA-N 365.433 2.284 0 40 FEAB CC(C)(C)C(=O)NC1CCN(Cc2noc(C3CCOCC3)n2)CC1 2086934972 QBGYOBMNQQDHKX-UHFFFAOYSA-N 350.463 2.090 0 40 FEAB O=C(Cn1cnc2ccccc21)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679590 CIWUBCPEGFOEJQ-HIFRSBDPSA-N 372.450 2.159 0 40 FEAB COc1ccc(CN(CCCn2ccnc2)Cc2cnc(N)nc2)cc1 36740177 XTKBISDSXLAKQC-UHFFFAOYSA-N 352.442 2.356 0 40 FEAB COc1ccccc1OCCC(=O)Nc1ccc(N2CCOCC2)nc1 40039342 XFRUHRCTQZPQJY-UHFFFAOYSA-N 357.410 2.334 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 40093781 UUTNRTKOPJBRPS-ZDUSSCGKSA-N 353.440 2.053 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1 21867614 JOPFUVQBYOYMJT-UHFFFAOYSA-N 363.391 2.305 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 8326599 YXRVGKWTTGQDPO-AWEZNQCLSA-N 354.472 2.155 0 40 FEAB O=c1c2ccccc2cnn1CN1CCN(Cc2ccccc2F)CC1 23254053 XJLRTARSZGFYIC-UHFFFAOYSA-N 352.413 2.311 0 40 FEAB Cn1ccs/c1=N\C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 24466183 UHLQOYHBSNSAIV-ZPHPHTNESA-N 374.491 2.254 0 40 FEAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4cccs4)cc1c32 9738079 GMWZAQKMKWDRDZ-NSHDSACASA-N 369.446 2.399 0 40 FEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccnc(-n2cncn2)c1 55982704 GBNUSSXJAIPDLE-ZDUSSCGKSA-N 364.409 2.443 0 40 FEAB O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1 25652538 IDIOEEAHUBFTAM-UHFFFAOYSA-N 370.312 2.449 0 40 FEAB O=C(OCCN1CCCC1=O)c1ccccc1I 3258439 GTKGDZMILFTKHL-UHFFFAOYSA-N 359.163 2.070 0 40 FEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(-n3cncn3)nc1)C2 48288609 LXFAVWBCPWHXKE-MRXNPFEDSA-N 351.435 2.304 0 40 FEAB C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 2179219 SWDRLJHGCIGFTJ-CYBMUJFWSA-N 350.415 2.469 0 40 FEAB CCCC(=O)NC[C@H]1CCCN(C(=O)COCCOc2ccccc2)C1 58323428 IWQIYNGDMPAQQY-QGZVFWFLSA-N 362.470 2.237 0 40 FEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 27934267 LZWRCZSFDHUXLU-PHIMTYICSA-N 365.904 2.410 0 40 FEAB NC(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)nc1 58429443 WOXIHIWSVWGSHG-UHFFFAOYSA-N 366.352 2.437 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 22383020 GKUZSOZYSXQXKV-SNVBAGLBSA-N 354.815 2.442 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051398 HWRPXOMFVZSNQH-CYBMUJFWSA-N 353.465 2.438 0 40 FEAB CC(C)CCC[C@H](C)NC(=O)COC(=O)c1sccc1-n1cnnn1 58939111 YRKZMXFYUZSMHX-LBPRGKRZSA-N 365.459 2.212 0 40 FEAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1C 11518394 ZFBGNQJEOWSIJM-UHFFFAOYSA-N 354.435 2.458 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594909 JSQDHSGJMVATQU-HXUWFJFHSA-N 365.389 2.027 0 40 FEAB COc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)c(OC)c1 4516950 VRKXHLPALNMUGS-UHFFFAOYSA-N 353.378 2.443 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)CC1 14246791 GLEGCYDRZJWAAJ-UHFFFAOYSA-N 372.494 2.145 0 40 FEAB c1coc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306140132 ULIJUOWRGWNNLH-HNNXBMFYSA-N 353.426 2.148 0 40 FEAB CC(C)CCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCCC3 6764277 CZZRADZJDLRLQL-UHFFFAOYSA-N 350.440 2.234 0 40 FEAB C[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66480918 IICKTYHKHIUTKL-MAUKXSAKSA-N 362.445 2.244 0 40 FEAB O=C(NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccco1 9255795 DUTCBHLRIBWIFP-AWEZNQCLSA-N 356.378 2.144 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)NC2CCCCCC2)nc1N 9368097 TUSUENCWWXSSCS-UHFFFAOYSA-N 352.460 2.167 0 40 FEAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(N)=O 8488481 ZHKRJGJJOBMXNY-ONGXEEELSA-N 367.858 2.195 0 40 FEAB COC(=O)C1CCN(C(=O)CCc2c(C)c3ccc(O)cc3oc2=O)CC1 9547343 IWTYWZRZXHLYEL-UHFFFAOYSA-N 373.405 2.151 0 40 FEAB Cc1ccc(C)c(OCCS[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 9690740 KEIPPQPZMFDJLN-HUUCEWRRSA-N 371.524 2.107 0 40 FEAB COC(=O)c1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)oc1C 96930308 YWKVCPYAJWSEAD-NTUHNPAUSA-N 355.302 2.448 0 40 FEAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 95452974 XOFBESJGEXYINV-FUHWJXTLSA-N 362.470 2.263 0 40 FEAB COCCN1CCN(C(=O)c2sc3cccc(F)c3c2C)CC1=O 95454099 FIRJPWPPNIVZNS-UHFFFAOYSA-N 350.415 2.280 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2ncoc2C)NC(=O)c2ncoc2C)o1 89652531 NBTJIZDQZIOYQY-GFCCVEGCSA-N 358.354 2.082 0 40 FEAB COc1cccc(N2Cc3nn(Cc4cccc(F)c4)c(=O)n3C2=O)c1 1547200955 DALOZYVYJRYZRI-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccccc2o1 21805968 KKKJPVHVPMUELF-OAHLLOKOSA-N 368.389 2.189 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(F)c1 408555578 BCIINVJBGTVMLL-GFCCVEGCSA-N 366.414 2.448 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1322878 CCAFDEBAHZIVID-UHFFFAOYSA-N 364.357 2.302 0 40 FEAB biogenic COC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 31764797 NBSBQCAFJDOMEC-GFCCVEGCSA-N 373.434 2.159 0 40 FEAB C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc2n(n1)CCO2 521292189 JLHZQROBPFYRNB-LLVKDONJSA-N 364.808 2.419 0 40 FEAB Cc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219432163 BEJYRDKJEHJLCC-UHFFFAOYSA-N 372.446 2.236 0 40 FEAB CN(C(=O)NCc1csc(-c2ccccc2)n1)[C@H]1CCN2CCO[C@H]1C2 565288550 ZGOWVYYBYYEPPG-IRXDYDNUSA-N 372.494 2.425 0 40 FEAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CC1 77262514 PIQYSXXCIWLFLF-JENIJYKNSA-N 374.412 2.458 0 40 FEAB biogenic,in-vitro COCc1nc([C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2C)n[nH]1 329840568 NFQOFVDHVUGRSJ-HNNXBMFYSA-N 364.471 2.317 0 40 FEAB COC(=O)[C@H](Cc1cccc(Br)n1)NC(=O)OC(C)(C)C 34462065 MDJVVWSHMQQMFN-JTQLQIEISA-N 359.220 2.453 0 40 FEAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 225502607 GRMCJLYZLFZWDE-AWEZNQCLSA-N 366.425 2.103 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccccc1F)C2 96238107 YRCUWDGWNVPHGL-LJQANCHMSA-N 373.453 2.451 0 40 FEAB Cc1cccc(CN2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1 96230220 FLKOFNWMSKQPRT-UHFFFAOYSA-N 364.493 2.357 0 40 FEAB COc1ccc2onc(CC(=O)Nc3cncnc3N3CCCC3)c2c1 579329595 ADUWAMYJGJMQFP-UHFFFAOYSA-N 353.382 2.408 0 40 FEAB COC[C@@H]1CC2(CCN(c3ncccn3)CC2)CN1Cc1nccs1 96240337 IFANSIZZQNAHCL-HNNXBMFYSA-N 359.499 2.441 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1)c1cccnc1 96206378 NIAFSCVTWSOTKQ-FXAWDEMLSA-N 352.438 2.030 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2ccnn21 247981440 XTVSDIKIQSBPJN-OAHLLOKOSA-N 368.462 2.360 0 40 FEAB COCc1nocc1C(=O)N1CCC[C@@H](CN(C)Cc2cccnc2)C1 585085494 GDWXAONPYUPKFO-INIZCTEOSA-N 358.442 2.200 0 40 FEAB COc1ccccc1CC1(O)CCN(C(=O)N[C@@H](C)c2noc(C)n2)CC1 585083162 MLUZOCGOOIXPCI-ZDUSSCGKSA-N 374.441 2.227 0 40 FEAB Cc1nccc([C@@H]2CN(C(=O)CCN3CCc4ccccc43)CCO2)n1 257252044 JTISIUDRBGBPML-IBGZPJMESA-N 352.438 2.138 0 40 FEAB CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381868 SFVCDJDYFUGJAF-HXUWFJFHSA-N 371.525 2.478 0 40 FEAB biogenic,in-vitro C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1SCCC(N)=O 597753625 SGEGGNHOQXVAQY-LLVKDONJSA-N 361.423 2.004 0 40 FEAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(C)cc(C(N)=O)c2)C1 626578491 OWBVDQDYPJGLGW-OKZBNKHCSA-N 374.485 2.199 0 40 FEAB Cc1oc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640867591 UZMRLWLRNBBZTG-UHTWSYAYSA-N 357.248 2.068 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)s1 654541513 PDKAZVDUMPQCDU-LBPRGKRZSA-N 372.512 2.443 0 40 FEAB COC[C@]1(C)CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 661666183 SRGSGQYJDWPTNL-HXUWFJFHSA-N 360.502 2.362 0 40 FEAB C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c(F)cncc1F 296686237 STLCPXUBVZCLGG-RWMBFGLXSA-N 374.391 2.411 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)c1ccco1 585111804 CADYVXOBZGBRSW-MRXNPFEDSA-N 351.410 2.248 0 40 FEAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)NCC4CC4)nc3[C@@H]2C)c1 585096464 OUIUPGGLXRQCDN-HNNXBMFYSA-N 366.465 2.477 0 40 FEAB O=C(CCN1CCCCC1)N1CC[C@](O)(COc2cccc(F)c2)C1 585271338 GEDOBMMZFYIXKY-LJQANCHMSA-N 350.434 2.044 0 40 FEAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 48261894 QDTULRXKGSKHDJ-SECBINFHSA-N 354.428 2.294 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C 634027865 WHKWYBSFKPWZRR-CCVPWINHSA-N 361.417 2.036 0 40 FEAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 12087595 YPXCTWJYIRAACQ-VBKZILBWSA-N 367.453 2.002 0 40 FEAB COC(=O)CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134177 PIVAQRHGQAPSSG-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146230 YKHQXHVNESJNKA-QGPMSJSTSA-N 369.465 2.333 0 40 FEAB O=C(CCN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1 14167032 HZIVXZFELJTJQF-UHFFFAOYSA-N 373.478 2.022 0 40 FEAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1(C)C 14246234 AAFZBCPFVZMSQO-CVEARBPZSA-N 350.484 2.231 0 40 FEAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 19375768 GKFWUQQKCZBVIT-KBPBESRZSA-N 352.438 2.280 0 40 FEAB Cn1cc(CNC(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)cn1 156534391 YGNYZLPSUJVXSZ-GJZGRUSLSA-N 368.359 2.456 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(O[C@@H]2CCOC2)nc1 225710534 WDSKWWRTOIKDBZ-QGZVFWFLSA-N 368.437 2.175 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](c2cc(O)nc(O)n2)C1 639716872 RUAVRWDTHXCOSB-NSHDSACASA-N 362.817 2.278 0 40 FEAB COc1cccc(N2CCN(C(=O)c3ncnc4c3CCCC4)CC2)c1 1888854614 IBDDLFRHRRCRBT-UHFFFAOYSA-N 352.438 2.326 0 40 FEAB COc1cccc(N2CCN(C3CCN(Cc4nc(C)no4)CC3)CC2)c1 1888866880 OTRMYXNIMLYXHD-UHFFFAOYSA-N 371.485 2.173 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc2sccn2c1=O 32820868 VEVLBLVDDBSMQW-UHFFFAOYSA-N 365.418 2.214 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1=O 2037985378 HZIAAYLKHOTQCT-HXUWFJFHSA-N 360.454 2.084 0 40 FEAB Cc1nc2ccccc2nc1N1CCC(N(C)S(=O)(=O)C2CC2)CC1 2087146401 KBHZWSUOFRFKCV-UHFFFAOYSA-N 360.483 2.331 0 40 FEAB COc1cc(C(=O)NC[C@H]2COC3(CCCC3)O2)cc(OC)c1OC 4941398 VTLIKJHISKMYMU-ZDUSSCGKSA-N 351.399 2.128 0 40 FEAB O=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1 9616214 YYWUDAHRKXJTOP-UHFFFAOYSA-N 356.817 2.358 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 15912110 IQQOGIDBHXJKIW-UHFFFAOYSA-N 358.419 2.144 0 40 FEAB CC1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)NC2CCCC2)C3)CC1 2055772028 RTPFZLNGGSOXII-OAHLLOKOSA-N 358.486 2.376 0 40 FEAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)CCc2ccc[nH]2)cn1 2055725614 JDVKGDVXBXPMFY-RBUKOAKNSA-N 356.470 2.320 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 2086884480 ZBBCRPALXLEEMX-UHFFFAOYSA-N 371.514 2.441 0 40 FEAB O=C(NCC[C@H](CCO)c1ccsc1)C(=O)NCc1cccs1 618255217 NMWUSKRSZUAKNV-GFCCVEGCSA-N 352.481 2.098 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)sc1C 32983752 AIVZPLFHHSJWFH-ABKXIKBNSA-N 350.444 2.199 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 101508513 KENXJOXZSCWWNK-UHFFFAOYSA-N 365.315 2.316 0 40 FEAB CN(CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 40072641 PYWVRRNPVOHNIK-QGZVFWFLSA-N 366.465 2.073 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)c(OC)c1 20721803 WIONZMFAJQKSGU-ZDUSSCGKSA-N 355.394 2.399 0 40 FEAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 32598886 UFBGXBWEGIZJDF-UHFFFAOYSA-N 365.798 2.197 0 40 FEAB CS(=O)(=O)Cc1c(C(=O)Nc2cccc(C(N)=O)c2)oc2ccccc12 102220060 OLMZNAZSRTVGDQ-UHFFFAOYSA-N 372.402 2.329 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1c[nH]c2ccccc12 102305280 RTCJIPVPXAUFBY-CALCHBBNSA-N 365.433 2.168 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1F 32934902 ZQIXENQNAXHHMH-UABRLCRWSA-N 350.434 2.321 0 40 FEAB CC(C)(C)OC(=O)C(=O)N1CCC[C@H]1COC(=O)c1ccc(F)c(F)c1 79072764 ZUNWGAKUCFEKOJ-LBPRGKRZSA-N 369.364 2.454 0 40 FEAB COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1NC(C)=O 4241525 HMBGZUOVQQJXEN-NSHDSACASA-N 356.444 2.225 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)nc4ncnn34)C2)cc1 4898131 CJNVUCPBAUWJME-CQSZACIVSA-N 366.425 2.296 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCCCC2)cc1 6249040 CBJHGDKDOOIDGF-UHFFFAOYSA-N 370.453 2.480 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(F)cc1 8433772 LILXXHZEGZPSKG-CYBMUJFWSA-N 362.401 2.489 0 40 FEAB Cc1c(C(=O)NCCO)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274468 SBFMLCAGPOKEEE-UHFFFAOYSA-N 363.377 2.106 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@H](c2ccccc2)C2CC2)CC1 23143584 BNLWPSNJMCKGPN-QGZVFWFLSA-N 365.499 2.251 0 40 FEAB Cn1ncc(I)c1C(=O)N1CCc2ccccc21 994407 CYAALZKNLBPNRM-UHFFFAOYSA-N 353.163 2.228 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 24053052 WCTWGTLHYBBOAD-UHFFFAOYSA-N 372.372 2.006 0 40 FEAB O=C(COC(=O)CCc1ccc(F)cc1)NC(=O)NCc1cccs1 24424690 VIKGENYFTGHCCK-UHFFFAOYSA-N 364.398 2.389 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2cccnc2)C2CC2)C1=O 1361891 FPYOCYMWFMGHJR-AWEZNQCLSA-N 351.406 2.387 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108533789 DZMURXVQCFESRQ-MRXNPFEDSA-N 353.426 2.138 0 40 FEAB O=C(CCc1cccc(Br)c1)N[C@@]1(C(=O)O)CCSC1 43510366 LQVQSNMOHLUTDW-AWEZNQCLSA-N 358.257 2.458 0 40 FEAB COc1cccc(-c2noc(CSCc3nc(N)nc(N(C)C)n3)n2)c1 23079169 CFJJLRGRFBCRHQ-UHFFFAOYSA-N 373.442 2.012 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 26686620 TVXRZAUVSBBHKW-DVOMOZLQSA-N 354.472 2.423 0 40 FEAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccc(Cl)cc2)cc1 58162542 WJXWJMFTADODSB-UHFFFAOYSA-N 363.830 2.331 0 40 FEAB CS(=O)(=O)CCN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 58192604 LWJLAYPNJQSTCS-KRWDZBQOSA-N 372.446 2.237 0 40 FEAB Cc1noc2ncc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)cc12 58202813 RVMPCPSOQZEDCQ-UHFFFAOYSA-N 371.441 2.331 0 40 FEAB O=C(CNc1cccc(C(=O)N2CCc3ccccc32)c1)N1CCOCC1 58213421 XDVSZVGGRGVKAA-UHFFFAOYSA-N 365.433 2.160 0 40 FEAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H](c1ccccc1)n1cccn1 58267812 JTUQEZQPYBOEIJ-IBGZPJMESA-N 358.405 2.370 0 40 FEAB CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2103189 OHLPCNJMPWHYJG-AWEZNQCLSA-N 361.394 2.330 0 40 FEAB biogenic COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1NC(C)=O 27994894 XTYCLIQVVGTLBF-UHFFFAOYSA-N 352.350 2.142 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cc2ccccc2[nH]1 58434136 BTWVAHSKKMOEOU-HZPDHXFCSA-N 353.422 2.349 0 40 FEAB COc1cc(C(=O)NCc2ccccc2F)cc(Cl)c1OCC(N)=O 10817708 LDNQBABKDPMLFL-UHFFFAOYSA-N 366.776 2.282 0 40 FEAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCC2)C1=O 3309259 KCWIANMYHFTUAC-MRXNPFEDSA-N 370.236 2.383 0 40 FEAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3343465 UGNWCHVJEKUYMX-KRWDZBQOSA-N 361.785 2.016 0 40 FEAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 11070644 PFCCJSKWBXLXBI-JTQLQIEISA-N 354.863 2.379 0 40 FEAB CCN(CCC(=O)Nc1cc(C)on1)Cc1nc2ccccc2c(=O)[nH]1 48300849 BNYJBEYLPDQAIR-UHFFFAOYSA-N 355.398 2.070 0 40 FEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3416352 LXUMKRUHGDXWNZ-UHFFFAOYSA-N 354.265 2.408 0 40 FEAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 3595262 DJQRNDMVIPQTKA-GTNSWQLSSA-N 351.834 2.412 0 40 FEAB O=C(NCC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 12975436 UEHSEHBGVHXBLJ-UHFFFAOYSA-N 371.481 2.058 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1cccc(C)c1 12995651 PNWWLBJDWBIHAN-UHFFFAOYSA-N 355.394 2.331 0 40 FEAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccc(C(=O)O)cc1 13317257 QDYPTHUEYJOZEE-UHFFFAOYSA-N 368.389 2.207 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13778670 GFCTYSIIHGDUMH-UHFFFAOYSA-N 371.418 2.031 0 40 FEAB CCc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5166050 YXSRBIAHQLQEPU-UHFFFAOYSA-N 351.362 2.281 0 40 FEAB COC(=O)c1ccc(-c2ccc(CNCCSc3nnnn3C)o2)cc1 4488466 HZPBVJSFUQNZAL-UHFFFAOYSA-N 373.438 2.139 0 40 FEAB CC[C@H](C)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6784895 WBKGJHOCINBDKK-UONOGXRCSA-N 353.488 2.186 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(C)c1 16446859 QMLADOGOQZYONO-KBPBESRZSA-N 351.424 2.122 0 40 FEAB COC(=O)c1cc(CN2CCN(C(=O)Cc3ccncc3)CC2)c(C)s1 96007208 FLLLGDGIBSTJEU-UHFFFAOYSA-N 373.478 2.125 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)c3cccc(F)c3F)CC2)oc1C 170885730 CDFXCSCCLXDKFE-UHFFFAOYSA-N 371.409 2.076 0 40 FEAB C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCC1)C(=O)N1CCc2ccccc21 83927589 LBRPZIHSAFXTEH-FUHWJXTLSA-N 370.497 2.234 0 40 FEAB O=C(Nc1cccc(F)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 95442228 SICMOZNVDVUPDH-CABCVRRESA-N 356.419 2.026 0 40 FEAB COc1cccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)nc2)c1 9809528 VHOOJHRSHJHDCB-UHFFFAOYSA-N 370.453 2.268 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@@H]1c1ncon1 95981357 LBXIMUYBNTUTQZ-OAHLLOKOSA-N 373.800 2.431 0 40 FEAB COc1ccc2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)ccc2c1 9939520 CNZHQIGIPXFDGY-UHFFFAOYSA-N 370.430 2.426 0 40 FEAB COC(=O)CCc1nnc(NS(=O)(=O)c2ccc(C)c(C)c2)s1 75109628 ZQYDVHZXVNPITK-UHFFFAOYSA-N 355.441 2.061 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2Cc2cccs2)on1 21915839 ODXSHTWGXHEYOZ-SECBINFHSA-N 350.429 2.199 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24209223 WDZTWLYSNRAZRA-LJQANCHMSA-N 360.479 2.347 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@]2(Cc3ncc(-c4cccs4)n3C2)C1 306138201 RSENTGYOHRXRBB-GOSISDBHSA-N 353.451 2.434 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)C2(CN)CN)cc1 218390315 IEWOSWZVKGMLJN-IAGOWNOFSA-N 364.898 2.492 0 40 FEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccccc3)cc(C(C)C)nc21 32032140 HXILWFNBPRHVMG-UHFFFAOYSA-N 366.421 2.158 0 40 FEAB CC[C@H](C)NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32888410 FHUMFTPXLNABSZ-AWEZNQCLSA-N 360.454 2.267 0 40 FEAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ncn1 77200578 OSPQCSKRFZLJOU-UHFFFAOYSA-N 370.837 2.088 0 40 FEAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O 38492510 QTOGRFWGAKJCDE-UHFFFAOYSA-N 353.422 2.193 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1OC 38754593 BMOIOIGRQFFIOV-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB Cc1c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)nn2c1OCCC2 566616956 QYSNTTWXWYZLQO-MRXNPFEDSA-N 354.454 2.497 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)Cc2ccc(Cl)cc2)n1 224178217 BUMCTFUVIKQBKS-UHFFFAOYSA-N 360.845 2.134 0 40 FEAB Cn1nnc2c1CCN(C(=O)C1CC=CC1)[C@@H]2COCc1ccccc1 96045329 PIHPKXCLGVNEKS-GOSISDBHSA-N 352.438 2.424 0 40 FEAB C[C@H]1COC(C)(C)CN1C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 331751973 AHKVOSMDCNEBPA-LSDHHAIUSA-N 351.491 2.377 0 40 FEAB Cc1ccc2c(c1)[C@]1(N[C@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 95346215 YYDFFHKIEHTPIA-GXYOHSSGSA-N 369.465 2.170 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96048641 LTVUSTKMZSGSAM-HXUWFJFHSA-N 350.422 2.132 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)Cc1cccs1)C2 96227528 PYVVCLTUKZPRIV-LPHOPBHVSA-N 355.463 2.241 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccccc1F)C2 96237747 RFYPTMYWXCMTGQ-OAQYLSRUSA-N 367.424 2.389 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1)c1ccncc1 96209240 QAUSUTRNKHKXNH-FXAWDEMLSA-N 352.438 2.030 0 40 FEAB COCC(=O)NC[C@H]1CN(Cc2cccc3ccccc23)Cc2ccnn21 247855386 TZNKSDVRDUJWDB-IBGZPJMESA-N 364.449 2.356 0 40 FEAB COc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3cccnc3)C2)c1 247919041 NKEOJUGEQONHJM-GUDVDZBRSA-N 353.422 2.318 0 40 FEAB CC1CCN([C@H](C)CNC(=O)[C@@H](C)N2C(=O)[C@H](C)Oc3ccccc32)CC1 253371428 BFTNPJQMTMGDSF-ZACQAIPSSA-N 373.497 2.426 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NCC[C@H]2CCCN2C)cn1 257332691 XYHGTGPYUKYWCJ-QGZVFWFLSA-N 355.486 2.148 0 40 FEAB COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2c(c1)CCNCC2 261917812 IHGJQBVEAYPDFS-HXUWFJFHSA-N 365.477 2.170 0 40 FEAB O=C1NCCN(C(=O)c2noc3c2CCCCC3)[C@@H]1c1ccccc1F 672955234 SRLWBMCREDSGDG-QGZVFWFLSA-N 357.385 2.396 0 40 FEAB COCc1nc(OC)cc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1 684656651 LQHSOHHLDFBLBL-AWEZNQCLSA-N 356.426 2.121 0 40 FEAB CCc1cc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)n(C)n1 635280467 VBJKNOOIZCJYRX-UHFFFAOYSA-N 355.486 2.372 0 40 FEAB O=C(c1ccc(-n2cncn2)nn1)N(Cc1ccccc1)c1ccccn1 96097858 WXOFZJVNONEVRF-UHFFFAOYSA-N 357.377 2.299 0 40 FEAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cccc(C(F)(F)F)c1 575608487 NTGBFTQPTIJYLH-UHFFFAOYSA-N 351.328 2.181 0 40 FEAB O=C(NC[C@H]1COCCO1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 57080202 REBPRCKPWQIYSO-WMZOPIPTSA-N 370.453 2.023 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(Cc2cccc(O)c2)CC1 12121303 WYADOPMUFPZDNY-UHFFFAOYSA-N 353.469 2.027 0 40 FEAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)cc1OC)CC2=O 13637215 GNWAUNOHFOXCCP-NSHDSACASA-N 371.389 2.482 0 40 FEAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@H]1CCS(=O)(=O)C1 14671153 MUDDPHYRPNSFCQ-QMMMGPOBSA-N 358.391 2.462 0 40 FEAB CN1C(=O)S[C@@H](CC(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)C1=O 19586837 ABRUHXVXXASBSV-OCCSQVGLSA-N 372.450 2.353 0 40 FEAB CC[C@@H](C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)N1CCCCC1 19746179 QWIDEQWGMSXRRA-KRWDZBQOSA-N 361.490 2.145 0 40 FEAB Cc1nc(N)cc(CC2CCN(CCS(=O)(=O)c3ccccc3)CC2)n1 19758492 CMFNCTMYGQCBND-UHFFFAOYSA-N 374.510 2.096 0 40 FEAB CCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1 12234174 JVRDHSHCZHHOIS-UHFFFAOYSA-N 371.441 2.109 0 40 FEAB Cc1ccc(C(=O)NC2CCN(C(=O)CCc3cncnc3)CC2)s1 549901677 HBDSDNKGUNWBON-UHFFFAOYSA-N 358.467 2.200 0 40 FEAB CNC(=O)c1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 29929976 DUPABSQQFOYPAO-HNNXBMFYSA-N 351.450 2.456 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)nn1 1775995927 NOXKHALECYOZLD-NSHDSACASA-N 369.347 2.160 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cnccn3)CC2)CN1c1ccccc1 2037840777 QLTBIEGVSVFQKG-FQEVSTJZSA-N 352.438 2.265 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@]12CCN(C(=O)C1(F)CC1)C2 1614933243 OMBOOXAREWFLMV-LJQANCHMSA-N 354.429 2.469 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C)s2)c1 854129 ALQLHOIHQKZZPH-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccsc1 8863561 FDPIGHNPTVHOAJ-OAHLLOKOSA-N 365.886 2.437 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1)C(=O)OC 20760650 AZAXPLJJQQAZRH-PVUWLOKVSA-N 371.441 2.050 0 40 FEAB biogenic CC(=O)N1CCN(C(=O)CCC(=O)N[C@@H](c2cccs2)C(C)C)CC1 32745045 SQCKUFJWKRZNMD-GOSISDBHSA-N 365.499 2.032 0 40 FEAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OC)c1 1007330 QZBIWCVEAGTPQX-HNNXBMFYSA-N 362.407 2.224 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 78815074 LXFDWDBDQFUBEE-UHFFFAOYSA-N 363.317 2.253 0 40 FEAB CCOC(=O)[C@@H](C)N(C)C(=O)CCc1cc(OC)c(OC)c(OC)c1 79096342 QRPCXISVDRWMPX-GFCCVEGCSA-N 353.415 2.055 0 40 FEAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 6818419 KGAXOLTWOUHSKD-UHFFFAOYSA-N 368.484 2.343 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)N(C)C1=S 6963813 XZYFAUUJVCRGOE-WJDWOHSUSA-N 373.478 2.168 0 40 FEAB CC(C)N1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O 9497858 YKDBAOILNFWNDF-UHFFFAOYSA-N 359.426 2.013 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCCCC1 61721608 UPIRVDAQWNHROF-INIZCTEOSA-N 373.501 2.141 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1C 24823683 LHFXRZDQDXCACF-MRXNPFEDSA-N 357.410 2.266 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100832341 YMLVJQDQZDAEFW-AXVVYFOYSA-N 368.518 2.353 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cn1 24131564 FRWSGJAQWOGWRE-INIZCTEOSA-N 353.422 2.284 0 40 FEAB COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]43 100017428 ZTHVHELPCLGXHF-WRLFTEMBSA-N 364.445 2.101 0 40 FEAB in-vitro O=C(NC[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCc2[nH]ncc2C1 108135879 URJSTNPXBPRONW-MSOLQXFVSA-N 352.482 2.195 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 20017083 NYZGBASWXZPZSX-SECBINFHSA-N 368.352 2.455 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3ccccc3C2)s1 48277160 STSJJSKBDRZSOP-UHFFFAOYSA-N 350.465 2.131 0 40 FEAB Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1 23642362 CBJAUBLVBINKRB-UHFFFAOYSA-N 352.500 2.308 0 40 FEAB COCCNc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1 3386661 JVHGRAFARIMJIR-UHFFFAOYSA-N 359.864 2.376 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@H](c2ccccc2)C1 27902223 KZDIATDGTNFWBV-SFHVURJKSA-N 363.417 2.456 0 40 FEAB CNC(=O)COc1ccccc1/C=C1\NC(=S)N(C2CCCCC2)C1=O 103794196 KDRZWVQHGJJGLJ-PTNGSMBKSA-N 373.478 2.202 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccnc2)c1 10809386 WYKBVNLAOFOLCI-UHFFFAOYSA-N 370.434 2.347 0 40 FEAB CN1CCN(c2cc(CNC(=O)CCCc3ccccc3)ccn2)CC1 48309951 PJNQRUTYJNTMBL-UHFFFAOYSA-N 352.482 2.473 0 40 FEAB C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CCO1 11501399 FEYFHOAWVPKGCK-AWEZNQCLSA-N 360.435 2.348 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)COc2ccc3ccccc3c2)c2ccccc2O1 29359354 YLIBVHRRHAVQOJ-IBGZPJMESA-N 362.385 2.498 0 40 FEAB COC(=O)c1cnc(NC(=O)c2cccc(CN3CCCC3=O)c2)s1 12923832 YCWQQZCCOUPZSK-UHFFFAOYSA-N 359.407 2.304 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NC[C@H](O)c3ccc(Cl)cc3)cnc12 12919621 HRKHMSXIALODFX-INIZCTEOSA-N 371.824 2.208 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 3610518 UQSRYELWJYBCTC-NRFANRHFSA-N 365.433 2.121 0 40 FEAB CC(C)(CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1)N1CCCCC1 13030333 TVWPSUASBIANDM-UHFFFAOYSA-N 358.435 2.067 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OC[C@H]2CCCO2)C(C)C)c1 13048100 UPVIQZPNCQAERB-PBHICJAKSA-N 365.426 2.180 0 40 FEAB COc1cc2cc(C(=O)N[C@H](C(=O)O)C(C)C)n(C)c2c(OC)c1OC 4000339 HZIPAPYKBCIHBB-ZDUSSCGKSA-N 364.398 2.043 0 40 FEAB biogenic O=C1N[C@H](c2ccccn2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 5572601 GYLRWBUJBMENNA-GYSYKLTISA-N 371.340 2.247 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1 6640057 FPJKEXFMCVHHOZ-UHFFFAOYSA-N 351.403 2.127 0 40 FEAB Cc1c(O[C@H](C)C(=O)NCCCN(C)C)ccc2c3c(c(=O)oc12)CCC3 6660131 RNEJENQANFIOKH-CQSZACIVSA-N 372.465 2.425 0 40 FEAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 5674736 IUYRAZGESIGOBU-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB CCOC(=O)c1c(NC(=O)C(=O)NC(C)C)sc2c1CC(C)(C)OC2 6757015 HJNWBLZOHZCPJQ-UHFFFAOYSA-N 368.455 2.239 0 40 FEAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9049481 UNEBMNNRGKUCLJ-CABCVRRESA-N 368.499 2.401 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCC4CCC4)nc3[C@@H]2C)n(C)n1 306134780 NYDBRDCOOUZNMA-AWEZNQCLSA-N 356.474 2.032 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)OCCOc2ccc(Cl)cc2)c1 6914725 PUFFGTXKHSRRMK-UHFFFAOYSA-N 373.789 2.362 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306145156 ZZTFJWBULFUDFI-HUUCEWRRSA-N 369.444 2.004 0 40 FEAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc2ccccc2c1 7883111 CPTFTJIEPGVRCT-INIZCTEOSA-N 369.446 2.499 0 40 FEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 7955765 DCGMTLMBQIHPPF-UHFFFAOYSA-N 370.501 2.227 0 40 FEAB COc1ccccc1OCCn1c2ccccc2n2nc(C)c(=O)nc12 9668874 BZGMXACOFDXQEZ-UHFFFAOYSA-N 350.378 2.440 0 40 FEAB Cn1cc(/C=C/c2nc(C(=O)O)c(-c3ccccc3)s2)c(=O)n(C)c1=O 95468062 LKGULUWLXQVMDQ-CMDGGOBGSA-N 369.402 2.076 0 40 FEAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H]3CC(N)=O)ccc2c1 95466745 YEFUGSDBGWDBSM-SFHVURJKSA-N 369.465 2.147 0 40 FEAB CCc1nnc([C@H](C)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)o1 95957552 NYLQSZOPYIBFQG-ZDUSSCGKSA-N 374.441 2.168 0 40 FEAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 75148536 HOZHIHNJDPFADW-XJKSGUPXSA-N 362.426 2.122 0 40 FEAB O=C(NCCNc1cn[nH]c(=O)c1Cl)c1ccc(C(F)(F)F)cc1 32923363 FLJGGFYPTLLXBN-UHFFFAOYSA-N 360.723 2.284 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1Cl 408598016 YUZMBJINJXZALX-GFCCVEGCSA-N 374.890 2.274 0 40 FEAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12)c1ccccc1 3849208 RDYMIHWYFYTXOE-XJKSGUPXSA-N 354.749 2.467 0 40 FEAB biogenic COc1cc(OC)c([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OC 524729982 PVXYIAVFMABULI-GFCCVEGCSA-N 359.378 2.161 0 40 FEAB biogenic Cn1c(C(=O)NCCNC(=O)COc2ccccc2)cc2ccccc21 32090480 NQZXHODTPBKOHZ-UHFFFAOYSA-N 351.406 2.103 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)C1 72241418 ZIZGLTGWHOKZKM-OAUYIBNBSA-N 350.846 2.497 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]1CO 190537759 QFEMXDKKMKVSGJ-HBUWYVDXSA-N 367.440 2.342 0 40 FEAB O=C(c1cccn(Cc2ccccc2)c1=O)N1CCc2ccnc(O)c2C1 581601066 VZHSACGLEQKORY-UHFFFAOYSA-N 361.401 2.196 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 225038320 DGIRFAJTFBAUGR-ITTMYVLYSA-N 351.380 2.302 0 40 FEAB COc1ccc2c(c1)CN(C(=O)c1cccnc1)CC[C@H]1COC(=O)N21 225491724 XJAUQTUZOZRBOV-HNNXBMFYSA-N 353.378 2.462 0 40 FEAB biogenic,in-vitro O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96043105 OTZSPAKYSQVFAO-YTQUADARSA-N 355.438 2.013 0 40 FEAB COc1ccc2c(c1)CCN(S(=O)(=O)c1cccc3c1OCC3)CC2 333863520 QKLJTRPKVPAOSM-UHFFFAOYSA-N 359.447 2.420 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCc2cnccn2)cc1 583623741 PGDQCILJGLSFAJ-AZUAARDMSA-N 355.438 2.317 0 40 FEAB Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)o1 96243640 GOURRRNXWZKGCM-KRWDZBQOSA-N 372.469 2.199 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1cccs1 96059773 UTHFMUIBORZZKL-HNNXBMFYSA-N 361.467 2.415 0 40 FEAB CN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96229763 IQFFWTSIGMEBQG-MRXNPFEDSA-N 358.410 2.130 0 40 FEAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)/C=C/c4cccs4)CC[C@@H]23)n1 96207399 WILICHZALNFZRI-XFDLWOITSA-N 358.467 2.294 0 40 FEAB O=C1CCCN1CC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248009486 VCITZSNYUJSZRD-QGZVFWFLSA-N 368.437 2.181 0 40 FEAB O=C(c1cncnc1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257309122 TZQHHDPMGBKHJC-ICSRJNTNSA-N 353.422 2.457 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257217361 CYPRXHHYQONEQA-MRXNPFEDSA-N 351.410 2.238 0 40 FEAB CN(C)c1nccnc1[C@H]1CN(Cc2nc3ccccc3n2C)CCO1 257307993 TUZXPEQHAWXOLJ-MRXNPFEDSA-N 352.442 2.003 0 40 FEAB COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252549475 RHDUBMISZPIQPL-HDJSIYSDSA-N 363.439 2.154 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)C[C@@H](O)C1(C)C 257337997 YVJJJTCGLVQQAY-GOSISDBHSA-N 358.482 2.230 0 40 FEAB O=C(c1ccsc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 264649274 IDIAFEYNZQMJNZ-UHFFFAOYSA-N 357.483 2.491 0 40 FEAB Cc1cc(S(=O)(=O)N2C[C@@H](O)Cc3ccccc32)cc(C(=O)O)c1C 278685692 MEALOKJAAHHZEX-AWEZNQCLSA-N 361.419 2.114 0 40 FEAB CCOc1ccc(C(=O)NC[C@H]2C[C@H](c3nc(C)no3)C[C@H]2O)cc1C 1775958429 YZKYCRHLCASKKB-ARFHVFGLSA-N 359.426 2.370 0 40 FEAB CN(Cc1ccoc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 623591084 AKXWBTDAHGUMTC-CYBMUJFWSA-N 354.453 2.153 0 40 FEAB NC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 646076385 YPQVBNYAUDXASQ-LAUBAEHRSA-N 365.433 2.462 0 40 FEAB O=S(=O)(NC[C@H](OCCO)c1cccs1)c1ccc(Cl)s1 575621023 NGACBSXFNOUJEF-VIFPVBQESA-N 367.901 2.492 0 40 FEAB Cc1cccc(Nc2nccnc2[C@H]2CCCN2C(=O)c2cn(C)cn2)n1 585182503 LJMMYOPZGNFZEL-OAHLLOKOSA-N 363.425 2.634 0 40 FEAB COc1ccc(-c2cnc3n2CCN(C(=O)[C@H]2CCCCN2C)CC3)cc1 585111264 LUILBDXFCAPFND-GOSISDBHSA-N 368.481 2.428 0 40 FEAB Cc1occc1C(=O)NCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 57558654 NHDHILLZUWFZMR-UHFFFAOYSA-N 372.421 2.183 0 40 FEAB NC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)cc1 90635353 AYSKPHYJGMKPKG-UHFFFAOYSA-N 366.396 2.368 0 40 FEAB CCOc1ccccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O 5962364 CLONDOFVPCZMOZ-UHFFFAOYSA-N 369.329 2.424 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC[C@@H](O)C2)C1 19016953 VGDHYFVFBYCOHX-HZPDHXFCSA-N 356.470 2.246 0 40 FEAB O=C(c1ccccc1F)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1 19347627 FIFPLOOZMMRISG-UHFFFAOYSA-N 369.444 2.174 0 40 FEAB COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)cc1 19554908 DYVIRBBQLXKODE-MRXNPFEDSA-N 354.454 2.368 0 40 FEAB Cc1nc(N2CCOCC2)sc1C(=O)NCCc1ccc(N(C)C)cc1 19657505 JAWBPZZAWIIYEY-UHFFFAOYSA-N 374.510 2.327 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc(=O)n(Cc3ccccc3)n2)CC1 2087048832 VZKZYNAQWYAIFB-UHFFFAOYSA-N 370.453 2.349 0 40 FEAB Cc1nc(CN2C[C@@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]3C2)cs1 1565542581 PDGNFFFBYVXLMH-ZIAGYGMSSA-N 360.458 2.119 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C1CC(F)(F)C1)CC2 1565553889 GGFFISGXXQHUGE-CQSZACIVSA-N 358.429 2.155 0 40 FEAB COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1 5255251 TYHPCAHOIHEJOQ-UHFFFAOYSA-N 359.407 2.224 0 40 FEAB Cc1ccc2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)n2c1 8604668 CBSAYBBRBYTRDJ-UHFFFAOYSA-N 366.396 2.104 0 40 FEAB CCCS(=O)(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 15783958 AGCJMCDGQHNDDM-UHFFFAOYSA-N 368.459 2.469 0 40 FEAB COCCN1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@@H]21 2055745518 GJZVJKWHWQOPSO-XLYSIVADSA-N 350.484 2.100 0 40 FEAB COC(=O)[C@](NC(C)=O)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 20102478 DRTXHSCJAAPIRC-JTQLQIEISA-N 360.119 2.368 0 40 FEAB Cc1cc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 42383541 DXAIXEICBUMZIE-VIFPVBQESA-N 372.295 2.015 0 40 FEAB O=C(c1nccc2ccccc12)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585602897 CWYCWMQDUQFMKI-UHFFFAOYSA-N 360.417 2.441 0 40 FEAB COCC(=O)N[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2C(C)C)CC[C@H]1O 2332241478 WWXAUGYGUDEOJW-GVDBMIGSSA-N 372.469 2.286 0 40 FEAB CCCCCNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 40051417 YCDORLXRYAEWEG-UHFFFAOYSA-N 359.517 2.391 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 40074549 ABUGDOWNZGARMN-CABCVRRESA-N 369.508 2.217 0 40 FEAB COC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 20100522 LEKJZZFZLMRPGQ-UHFFFAOYSA-N 362.445 2.449 0 40 FEAB Cc1ccc2[nH]c(C)c(CC(=O)OCCN3C(=O)NC(C)(C)C3=O)c2c1 31348208 ZZHAEFMSNPMSEN-UHFFFAOYSA-N 357.410 2.201 0 40 FEAB Cc1c(C)c(C)c(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)c(C)c1C 50941563 ODPYOHXBIFSPKN-UHFFFAOYSA-N 362.470 2.416 0 40 FEAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32095741 DRJJBWQGYYOQAH-GFCCVEGCSA-N 354.362 2.155 0 40 FEAB O=C(Cc1noc(C(=O)NCc2cccc(F)c2)n1)Nc1ccccc1 32088288 BJVTTWIVQIIDNY-UHFFFAOYSA-N 354.341 2.320 0 40 FEAB CCn1c(S)nc2cc(C(=O)NC[C@H](O)c3ccccc3)ccc2c1=O 102375759 SIFZQMZQCSSRQX-INIZCTEOSA-N 369.446 2.169 0 40 FEAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1 32810994 SKEPEXNSZGNWRR-UHFFFAOYSA-N 355.393 2.408 0 40 FEAB O=C(CCc1ncc(-c2ccccc2F)o1)NCC(=O)NCc1ccco1 32879751 HUBMKXSWKNUQAV-UHFFFAOYSA-N 371.368 2.439 0 40 FEAB COc1cc(OC)c(NC(=O)c2ccccc2OCC(N)=O)cc1Cl 21742182 IWKOWFMTJKZCTE-UHFFFAOYSA-N 364.785 2.474 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)s1 29774832 BFIYJWLOIRTOCE-UHFFFAOYSA-N 374.871 2.287 0 40 FEAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H]1CCS(=O)(=O)C1 46551744 IIZJSWJKYMWOBX-SNVBAGLBSA-N 370.883 2.309 0 40 FEAB CNC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(OC)c1 1329495 RYSSUVJRBSPYIC-UHFFFAOYSA-N 355.423 2.176 0 40 FEAB CN(CC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C)S(C)(=O)=O 79022504 ZZENCEXFTBRWDV-MRXNPFEDSA-N 352.500 2.485 0 40 FEAB COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 79124030 GVUPXGQLPMFZGI-HIFRSBDPSA-N 367.405 2.286 0 40 FEAB biogenic COC(=O)C1(NC(=O)COC(=O)c2cn(C)c3ccccc23)CCCCC1 61044977 YNKBIWUVRDMLMW-UHFFFAOYSA-N 372.421 2.327 0 40 FEAB CCc1nnsc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 22699235 ILGKJZAVMGWHOS-UHFFFAOYSA-N 353.831 2.498 0 40 FEAB O=C1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)N1 104388315 YIRKPCBWAWGSKU-HXUWFJFHSA-N 374.444 2.493 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(F)c(F)c1 8708266 WZYSUOAZUMJDMN-LJQANCHMSA-N 372.327 2.377 0 40 FEAB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1Cl 10541387 JXWLUOYIWRGCQQ-LBPRGKRZSA-N 374.890 2.373 0 40 FEAB COCCOc1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)ccc1OC 25223088 ZRTPTKDTEBGOCC-UHFFFAOYSA-N 369.377 2.209 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(OC)cc1 2102227 HLRKFHIIGKCJEW-SFHVURJKSA-N 356.422 2.321 0 40 FEAB biogenic CN(CC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C(=O)c1cccs1 58341237 YXZFLKYYYUZZGS-UHFFFAOYSA-N 372.425 2.461 0 40 FEAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4ccc(C)o4)c(=O)n3C2)c1 2256477 POQDDGLFBXYKEO-MFOYZWKCSA-N 353.447 2.312 0 40 FEAB Cc1ccnc2nc(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)nn12 45248767 SAKBGVALRPVLMU-QGZVFWFLSA-N 358.405 2.480 0 40 FEAB COc1ccccc1CNC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O 4090011 JSDBJXBEYKZZID-UHFFFAOYSA-N 369.373 2.380 0 40 FEAB biogenic COc1ccc(-c2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1 13691737 SRGPULPLTOTFDV-UHFFFAOYSA-N 359.451 2.085 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)OCc1nnc(-c2ccccc2)o1 6164455 QPBKLGQOHPNKSH-UHFFFAOYSA-N 365.345 2.205 0 40 FEAB COc1cccc(CNC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 5253526 AYBSLYKOQZJYQT-UHFFFAOYSA-N 357.797 2.375 0 40 FEAB COc1ccc(CNCCNC(=O)c2cccs2)c(OC)c1OC 4498136 RVLUDERAUNEUFL-UHFFFAOYSA-N 350.440 2.294 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)On1nnc2ccc(Cl)cc21 14085507 XHVZCLXMYHLMBI-NSHDSACASA-N 360.801 2.227 0 40 FEAB O=C(Nc1ccc[nH]c1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 65512816 ZAWGOHOWDHBXNE-UHFFFAOYSA-N 372.384 2.385 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1 14161056 GNMHMSSYUWJZQR-KRWDZBQOSA-N 374.462 2.348 0 40 FEAB CCOc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1OCC 14102486 OOHFBHMCEYSWAB-UHFFFAOYSA-N 368.499 2.389 0 40 FEAB CCOc1ccc2oc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 14200183 NKLZXOQUTMBUJL-LBPRGKRZSA-N 351.424 2.399 0 40 FEAB CCCc1nnc(NC(=O)[C@@H](CC)n2nnc3ccccc3c2=O)s1 9025719 FPLRZXHNFWAOPY-GFCCVEGCSA-N 358.427 2.185 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)NC[C@H]2CCCO2)CC1 71798605 PBBVIRGHVYXBJA-MRXNPFEDSA-N 374.437 2.241 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCCC1=O 71798131 FZQLMLSZQZVWKG-KGLIPLIRSA-N 358.394 2.428 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl 6847410 XEDCENVLXLWLGC-AWEZNQCLSA-N 353.827 2.403 0 40 FEAB COc1ccc(-c2nc3s/c(=C/c4cccs4)c(=O)n3n2)cc1OC 5894582 MGFFVIOSFWOSLI-NTEUORMPSA-N 371.443 2.444 0 40 FEAB C[C@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Cl 15352142 WANGLHVQPVSNPY-NSHDSACASA-N 367.858 2.277 0 40 FEAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 7053673 RUHCMWPXLLQDBK-UHFFFAOYSA-N 366.464 2.014 0 40 FEAB COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1cccs1 7813678 ZXJUGGBUGULQEI-UHFFFAOYSA-N 366.464 2.231 0 40 FEAB CSCC[C@H](NC(=O)CN1CSCC1=O)c1nc2ccccc2[nH]1 8135819 NQRFZBFXYORORK-ZDUSSCGKSA-N 364.496 2.006 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 8343751 NDAIWXAKSLKACX-VQTJNVASSA-N 365.477 2.454 0 40 FEAB NC(=O)c1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 95453974 YNVHSCKVJMBWEP-UHFFFAOYSA-N 371.400 2.449 0 40 FEAB Cc1nc2ccccc2n(CCCNC(=O)CCc2ccncc2)c1=O 95456641 QRPJHZQPECLQGF-UHFFFAOYSA-N 350.422 2.239 0 40 FEAB COc1ccc(-n2ccc(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)n2)cc1 89455529 WUBWAEVFYBCECI-OAHLLOKOSA-N 371.437 2.339 0 40 FEAB C[C@@H]1Sc2ccccc2N(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1C 75106257 GBXBJPRSBYLCBJ-CABCVRRESA-N 373.522 2.457 0 40 FEAB Cn1cc(-c2cnc3ncn(C4CCN(Cc5cccnc5)CC4)c3n2)cn1 306123852 AYLQOMDAJDRNQS-UHFFFAOYSA-N 374.452 2.459 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(-n2ccnc2)cc1 30866311 FFDKJRZDGPHPPD-UHFFFAOYSA-N 370.434 2.174 0 40 FEAB Cc1noc(CNC(=O)C2CCN(C(=O)/C=C/c3cccs3)CC2)n1 70655651 FAZNBMCRFWFBBQ-SNAWJCMRSA-N 360.439 2.008 0 40 FEAB Cc1ccc(C[C@H](C)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 557593504 WRBDIEIIKQSLCL-RYQLBKOJSA-N 366.527 2.398 0 40 FEAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc2c(c1)OCO2 70926656 BQJLDSFKGDTTOA-UHFFFAOYSA-N 367.405 2.093 0 40 FEAB CC(C)c1nnc(COc2ccccc2S(=O)(=O)NCC2CC2)o1 521396990 DOSIUMKIVAKCOK-UHFFFAOYSA-N 351.428 2.460 0 40 FEAB CN(c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)S(C)(=O)=O 223862062 ZKSGTYDHOUHFRY-UHFFFAOYSA-N 366.414 2.030 0 40 FEAB CCCNC(=O)Cn1nc2cc(C)nc(Nc3cc(C)cc(C)c3)n2c1=O 49410673 WIHFAAIPOYFTPA-UHFFFAOYSA-N 368.441 2.086 0 40 FEAB COc1cccc(N([C@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 220176118 CEVFMAODVORSAQ-CQSZACIVSA-N 374.462 2.439 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1cccs1 225143385 FUPPOSRFJJECMO-UHFFFAOYSA-N 371.436 2.377 0 40 FEAB O=C(Nc1ccccc1N=c1cc[nH]cc1)c1cn(C[C@H]2CCOC2)nn1 529223672 VSEXZIBIJYJJBI-CQSZACIVSA-N 364.409 2.127 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC(C)C 225850723 QBSOTMKRRHMLON-UHFFFAOYSA-N 356.488 2.040 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)cc1C 224644958 KMFQCYZDVZBJFE-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB COC[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)N1S(C)(=O)=O 96209697 IQZIQUDJOPIFGS-HNNXBMFYSA-N 358.529 2.153 0 40 FEAB COc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)cc1OC 98211976 ZLUSCFBSRCCSQB-HNNXBMFYSA-N 359.426 2.313 0 40 FEAB Cc1cc(C(=O)N2CCO[C@]3(CCC[C@@H]3COc3cccnc3)C2)no1 96160930 NIFQAJPZMDPQIE-DNVCBOLYSA-N 357.410 2.468 0 40 FEAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccc(C)s1)CC2 248059345 CQIJDJUGHUGIAQ-HNNXBMFYSA-N 372.556 2.177 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(F)cc1 243534559 OFIVKVFBZMOLKJ-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)cs1 248025338 KHAAYWPZLLQUAU-HNNXBMFYSA-N 359.451 2.437 0 40 FEAB O=C(C[C@H]1CN(C2CCCC2)Cc2ccnn21)NCCc1ccncc1 247840458 FGMBFDLMUJSXOO-IBGZPJMESA-N 353.470 2.326 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccc(OC)cc1 257257631 KQMASUHQVAGKRF-MJGOQNOKSA-N 361.486 2.015 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)C3CCCC3)ccnc12 257332627 XYBSBQCQMKKIKK-OAHLLOKOSA-N 355.442 2.285 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)nc(O)n1 257311062 UHUCHEKDNOZGID-JFIYKMOQSA-N 352.438 2.051 0 40 FEAB O=C(CCCn1cc(COc2ccccc2)nn1)NCc1cccnc1 252500894 TYGFCPOUSZLRMM-UHFFFAOYSA-N 351.410 2.349 0 40 FEAB O=C(CSc1ccc(F)cc1)NCCn1ccc(-c2cnccn2)n1 253472612 NWMBXJSHYCSXGS-UHFFFAOYSA-N 357.414 2.388 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)nc(C)n1 257236106 HAUFNHCRHWHKRS-KRWDZBQOSA-N 355.394 2.078 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(C)c1 257302345 SCOIWHDGTQXKFJ-QUCCMNQESA-N 367.449 2.242 0 40 FEAB O=C(CN1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1)N1CCCCC1 257333325 YBCIQDKHNWZDNO-WMZOPIPTSA-N 350.434 2.042 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccnc(N2CCCC2=O)c1 618256192 FDGYTVKRUONMPI-GQCTYLIASA-N 365.389 2.267 0 40 FEAB C[C@@H]1CCn2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2C1 630685920 XKLHZZYGMODXHE-CQSZACIVSA-N 370.428 2.203 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)C1 663479630 INZFDGGIZYDPNA-NXWXRZEISA-N 361.461 2.120 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)[C@@H]1n1cccn1 664969810 JDRSIGUPNLXPNJ-VUQDICHWSA-N 370.428 2.378 0 40 FEAB COc1cc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2C2CC2)ccc1Cl 1775960283 DAYNVPYSTJLEJJ-KBPBESRZSA-N 352.818 2.045 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)Nc3cccs3)C2)cc1 96378137 MFRIZGWXHDMFBL-UHFFFAOYSA-N 352.437 2.447 0 40 FEAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccsc3)C2)cn1 585112453 QWDWECFDCBUWDJ-INIZCTEOSA-N 370.482 2.055 0 40 FEAB CCc1nccn1CCC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585280706 NRNBTHCEAVLDLI-SJLPKXTDSA-N 359.445 2.427 0 40 FEAB CO[C@H]1CCCN(C(=O)c2cc(C)nc(O)n2)[C@H]1Cc1ccccc1F 585276180 KRZKNFVJEKWCKB-IRXDYDNUSA-N 359.401 2.492 0 40 FEAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12 12145240 ZUEKJDHRRSYVSG-UHFFFAOYSA-N 367.453 2.354 0 40 FEAB CC(=O)N1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 12184712 WYDXKEWJHWQUNE-UHFFFAOYSA-N 366.450 2.331 0 40 FEAB Cc1ccc(C2(O)CCN(CCNC(=O)c3c(C)noc3C)CC2)cc1 12326434 NRHHTCFRCIKCRP-UHFFFAOYSA-N 357.454 2.313 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3nccs3)cc12 12407165 IRXVLFYHCLPXQY-VIFPVBQESA-N 374.422 2.399 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 12882546 HIHHESILCODEPZ-UHFFFAOYSA-N 370.430 2.296 0 40 FEAB COc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 13582882 RTUJGNFIXVTXOC-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)COc2cccc(C)c2)cc1 13717226 PCZDZPPMBDNWQN-UHFFFAOYSA-N 356.422 2.318 0 40 FEAB CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccn(C(F)F)n1 19582587 OVTJAKHCTIQZRB-UHFFFAOYSA-N 366.368 2.211 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)n1 19715565 KCLSILUWRMHGCY-CYBMUJFWSA-N 370.432 2.329 0 40 FEAB CCc1ncc(CN2CC[C@](Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1 19739232 WWEHZBLQANXXAL-HXUWFJFHSA-N 371.485 2.331 0 40 FEAB Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 19745792 KLNMNDAMMVTTJL-GOSISDBHSA-N 354.454 2.393 0 40 FEAB CCOC(=O)C1=C(COC(=O)C[C@H](C)c2ccccc2)NC(=O)N[C@@H]1C 4413038 AIAJBIFWYORFHK-QWHCGFSZSA-N 360.410 2.242 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)nn1 1888856475 AREOBPRIYOLALZ-HOTGVXAUSA-N 351.454 2.378 0 40 FEAB COc1c(C)cnc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)c1C 1888859344 QFCRBLQZRVRCMK-INIZCTEOSA-N 363.527 2.494 0 40 FEAB NC(=O)CCN(Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 32851084 BGQNWMOXHMKXEX-UHFFFAOYSA-N 370.840 2.226 0 40 FEAB O=C(c1ccnc(F)c1)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056224559 VHSJCRUZVIJWNI-OAHLLOKOSA-N 358.442 2.106 0 40 FEAB CCN1Cc2ccccc2CC2(CCN(C(=O)c3ccnn3C)CC2)C1=O 1565541851 BWBRBBUSAFTDBF-UHFFFAOYSA-N 366.465 2.247 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3ccccn3)CC2=O)cc1OC 4272710 FXUKBGCZZQBUKJ-GFCCVEGCSA-N 356.382 2.026 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9035309 JGEGPGISEIMBIB-AWEZNQCLSA-N 360.435 2.027 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(F)cc1 9036330 KUEXXKAVLRMWKB-LBPRGKRZSA-N 366.389 2.296 0 40 FEAB Cc1ncsc1CN1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771834 DISDAYKXUZQJOM-GOSISDBHSA-N 359.499 2.166 0 40 FEAB COc1cccc(CO[C@@H](C)C(=O)NCc2ccc(-n3cccn3)nc2)c1 40093365 AVPOROXCXIFHFK-HNNXBMFYSA-N 366.421 2.497 0 40 FEAB Cc1nn(C)c(N)c1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 101726970 VPIJOFZSRSQCHK-LLVKDONJSA-N 352.316 2.377 0 40 FEAB COc1cccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1OC 32964132 SSJRLOYJXWXING-UHFFFAOYSA-N 368.389 2.202 0 40 FEAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1 12094784 FSEVOOVTGYSLDG-ZFWWWQNUSA-N 367.467 2.427 0 40 FEAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 76315169 ZAWOCLRDIHBKBO-QWHCGFSZSA-N 359.513 2.180 0 40 FEAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccccc1C(F)(F)F 41605923 FPBNKDXUYKWAFU-VIFPVBQESA-N 374.344 2.399 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 22934384 SJUNYOYZXGMJJG-HXUWFJFHSA-N 353.466 2.285 0 40 FEAB CCOc1ccc(C(=O)NCC(=O)NCCOc2ccc(C)cc2)cc1 8237774 KXRAYYNGNCBLQV-UHFFFAOYSA-N 356.422 2.319 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 47373688 CXNCFNMCVKBVML-UHFFFAOYSA-N 359.426 2.130 0 40 FEAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 23409506 ZCFDKFZYDASPJA-LJQANCHMSA-N 372.440 2.161 0 40 FEAB CN(CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1 54429122 RQXQMBDBLJHMSY-UHFFFAOYSA-N 353.488 2.140 0 40 FEAB COCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 47631619 AZYFTMMEJJVTOL-SFHVURJKSA-N 362.470 2.017 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1c[nH]c2ccccc12 12567156 RTCJIPVPXAUFBY-IRXDYDNUSA-N 365.433 2.168 0 40 FEAB Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)sc1C 24742291 MHMCCSFAJSCUGL-NSHDSACASA-N 359.407 2.480 0 40 FEAB COc1cc(NS(=O)(=O)c2c(C)noc2C)ccc1N1CCCC1=O 12508375 RDSFMZYRTXZOJS-UHFFFAOYSA-N 365.411 2.228 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 12534292 JVUZUDJDHGVQNR-WMZOPIPTSA-N 358.486 2.213 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 58192309 UKYDQHMZSMFJMZ-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCc1cn2ccccc2n1 12602651 MRXGSTWIJMJJCA-UHFFFAOYSA-N 362.433 2.363 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58201160 HPAFXPSEIQRPCD-UKRRQHHQSA-N 360.454 2.014 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@@H](C)Cc2ccccc2F)nn1)OCC 58228535 WUMDYNHMKXYDCU-ZDUSSCGKSA-N 364.421 2.177 0 40 FEAB CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1=O 3345360 ZHSAYPAWIHIVJD-UHFFFAOYSA-N 362.386 2.218 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 3355294 MKJSABMEFJYXED-ZIAGYGMSSA-N 368.389 2.069 0 40 FEAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@H](O)c1ccc(F)c(F)c1 58429272 XWOARMBAPTYGQZ-ZDUSSCGKSA-N 358.385 2.418 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 27133009 CHTDMOIVUJRWNQ-LBPRGKRZSA-N 366.361 2.338 0 40 FEAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3366825 OMMXSYOCOOOFLS-CQSZACIVSA-N 373.478 2.327 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1 36389523 ZZQUILUHJAUXMB-UHFFFAOYSA-N 367.858 2.463 0 40 FEAB COc1cc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc(OC)c1OC 10870661 SBOQINBCIZVVNG-UHFFFAOYSA-N 373.361 2.320 0 40 FEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)C(=O)NC2 58748157 QGHLAAPRKSSZRA-IBGZPJMESA-N 363.417 2.405 0 40 FEAB COc1cc(-c2nnc(CSCCC(=O)O)o2)cc(OC)c1OC 12781658 QNCNZELIKHZWMH-UHFFFAOYSA-N 354.384 2.470 0 40 FEAB CCN(C(=O)COC(=O)[C@H](C)NC(=O)c1ccco1)C1CCCCC1 11352504 MNELWCNFRJCOIG-ZDUSSCGKSA-N 350.415 2.122 0 40 FEAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cn2nnc3ccccc32)c1 48344640 WOBMVZKLTWHYSP-AWEZNQCLSA-N 365.437 2.276 0 40 FEAB CC(C)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 3502851 IBZZSEIQTTXZLF-OAQYLSRUSA-N 365.433 2.201 0 40 FEAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(OC(C)=O)c1 3636391 JJRQBBPTBXXRDO-INIZCTEOSA-N 374.418 2.435 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@H](CCOCC(=O)N3CCCC3)C2)o1 306138942 SLHPFEZYGCVLGX-GOSISDBHSA-N 372.469 2.371 0 40 FEAB COC(=O)c1cc(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)oc1C 64389118 HVMIDKSMUXRHGK-CYBMUJFWSA-N 359.378 2.251 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O 14084344 QUMDSJALMKCQTQ-JLTOFOAXSA-N 368.437 2.124 0 40 FEAB Cc1ccc(OCCN(C)C(=O)CN2C(=O)COc3ccccc32)cc1 14197998 QCHGHOFAXOIVJK-UHFFFAOYSA-N 354.406 2.258 0 40 FEAB O=C(Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12)c1ccc(F)cc1 9109889 UYPCDMZMAAAYTL-UHFFFAOYSA-N 363.352 2.400 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 9253155 XEKUPACCKWNBNH-ZIAGYGMSSA-N 371.462 2.299 0 40 FEAB CC(C)CN1CC[C@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@@H]2C1 306143453 YCRWBSLOEXSKHO-DLBZAZTESA-N 360.502 2.060 0 40 FEAB CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 68577423 ROIZLGMWAYZKIU-UHFFFAOYSA-N 350.484 2.197 0 40 FEAB COc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(N)(=O)=O 8140755 PVKMMRJCTFUYBU-UHFFFAOYSA-N 359.407 2.087 0 40 FEAB CCCCNC(=O)NC(=O)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1 70007025 RESHRLLCWNROGQ-HNNXBMFYSA-N 362.474 2.352 0 40 FEAB C[C@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@H]2OC(=O)c3ccccc32)c1=O 17028472 KEIJMPNOOHGZSA-BZNIZROVSA-N 364.357 2.111 0 40 FEAB O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1 72328640 MHIFNSHIPZQAPV-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCCc3cccs3)ccc2N1S(C)(=O)=O 9479181 QTRBQWUHGQAYDX-GFCCVEGCSA-N 364.492 2.431 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCc4cccnc4)nn12)CCC3 8664896 KMQIRKITBHMQPT-UHFFFAOYSA-N 364.434 2.461 0 40 FEAB Cn1c(=O)cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 72403070 RBJZZBYQILXWNH-UHFFFAOYSA-N 361.445 2.497 0 40 FEAB CSCc1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 9954647 DUPJCJXPHNDLLX-UHFFFAOYSA-N 366.468 2.472 0 40 FEAB C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 1556717283 GWBZVHDLQOMNGJ-NSPYISDASA-N 366.421 2.235 0 40 FEAB C[C@@]12NC(=S)N[C@@H](c3ccccc3O1)[C@@H]2C(=O)NCc1ccccc1 20568440 XTZQYSHCZWZFLX-JTDSTZFVSA-N 353.447 2.247 0 40 FEAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCC2CC2)c2ccccn12 306134033 NCEZFEKJUVJVJN-HNNXBMFYSA-N 355.442 2.293 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 408598357 ZKCVTDWLZCBRSX-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB COc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)c1 72241560 PTDKBTOBOZIFAS-OALUTQOASA-N 372.396 2.049 0 40 FEAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 44900917 YUBAICNKJBYXKS-UHFFFAOYSA-N 353.300 2.364 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCCSC(F)(F)F)CC2=O)cc1 40119037 DUEHLZRYUMOJPO-SNVBAGLBSA-N 362.373 2.417 0 40 FEAB COc1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220078818 JJJBSQHWXZXJCX-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(NCC1CCN(c2cccnc2)CC1)C(=O)Nc1ccc(F)cc1F 225656672 XCCDYMSVHYBZBY-UHFFFAOYSA-N 374.391 2.331 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2cc(C)ccc2C)c1 224050713 MVPOLTRFVSNGAS-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1C(C)C 193441281 QPWUJUNPXYHFRC-UHFFFAOYSA-N 370.515 2.128 0 40 FEAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)N1CCOCC1 578845170 DQHMWWKLLRVWHM-ZDUSSCGKSA-N 362.380 2.185 0 40 FEAB CC(=O)N1CC2(CCN(Cc3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 97952873 PVCYIBYIBWBZCA-LJQANCHMSA-N 361.511 2.041 0 40 FEAB COc1ccc(CN2CCC3(CC2)C[C@H](N2CCN(C)CC2)CO3)cc1 96048849 DAKDBSZSXOOEKK-IBGZPJMESA-N 359.514 2.066 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3cccnc3)C[C@@H]2C(=O)O)o1 96198761 MHLKDYCYXXXFBB-JKSUJKDBSA-N 357.410 2.173 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 96006253 MWLOMEODXVISNB-HUUCEWRRSA-N 367.515 2.156 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 96161598 FLLIKADOIGYBJN-HDICACEKSA-N 351.450 2.223 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)N3C)CC2)cn1 96209494 KDHXIZUTMRPADK-KRWDZBQOSA-N 358.486 2.281 0 40 FEAB CSCC[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 240122358 VXBPHHVBLYNBKJ-JYJNAYRXSA-N 365.499 2.146 0 40 FEAB CC(=O)N1CCCC[C@H]2CN(S(=O)(=O)c3ccccc3C)CC[C@H]21 257238000 HJDPRKDUXRJVMW-DLBZAZTESA-N 350.484 2.407 0 40 FEAB O=C1CC[C@@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)N1 257205856 BAWBRRDWJSOJRR-OBJOEFQTSA-N 374.466 2.467 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3cccc(C)n3)CC2)C[C@@H](O)C1(C)C 257327376 XBBYKAATONLHTQ-QGZVFWFLSA-N 359.470 2.004 0 40 FEAB COc1cccc([C@H](CC(=O)O)NC(=O)CCn2cc(Cl)cn2)c1 630124984 KIURZVCSEWINAD-AWEZNQCLSA-N 351.790 2.267 0 40 FEAB Cn1cc(O[C@@H]2CN(Cc3ccc(Oc4ccccc4)o3)C[C@H]2O)cn1 628376517 ZDYBNCWSYPUKFO-QZTJIDSGSA-N 355.394 2.430 0 40 FEAB O=C(CN1Cc2ccccc2C1=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653330640 IFLHQJPIBLEZSF-IRXDYDNUSA-N 350.374 2.072 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CC4)C[C@@H]23)cc1 585106013 DSJNCACSSZBWDX-MOPGFXCFSA-N 367.493 2.058 0 40 FEAB O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCOCC2)C1 585282699 NAGAIMVZZFJXRF-KRWDZBQOSA-N 359.825 2.100 0 40 FEAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)[nH]1 585105149 ZQKUUPFGGWDLIN-DOTOQJQBSA-N 360.502 2.461 0 40 FEAB O=C(Cc1ccccc1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585103029 OEGAZEPIDSEBFX-RXVVDRJESA-N 356.466 2.107 0 40 FEAB CC(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 56138609 XXEUKCUOBRKITK-UHFFFAOYSA-N 372.446 2.327 0 40 FEAB O=C(NCc1cccc(F)c1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000173 ZFOWSYJYWSSKJF-DLBZAZTESA-N 357.385 2.109 0 40 FEAB CC[C@@H](C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 5953889 SYIXPNAIKBNPRA-SNVBAGLBSA-N 363.277 2.130 0 40 FEAB COC(=O)CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12222492 RFYOHVSMRJIWIQ-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)cc1 19576305 OFUVOVBRNOQWLL-CSODHUTKSA-N 364.401 2.399 0 40 FEAB C[C@@H]1[C@@H](C)N(C(=O)c2ccncc2F)CCN1C(=O)c1ccncc1F 620747262 OTZNNHPZRMYYAJ-VXGBXAGGSA-N 360.364 2.130 0 40 FEAB CC1(C)CN(C(=O)[C@H]2COCCO2)c2ccc(Br)cc2O1 622986507 BJLBNQYLWAEPLE-CYBMUJFWSA-N 356.216 2.369 0 40 FEAB CC1CCN(C(=O)CN2CCC(n3c(=O)oc4ccccc43)CC2)CC1 12184664 WEYOUCKXBOLJTE-UHFFFAOYSA-N 357.454 2.490 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(c5ncc(Cl)cn5)C[C@H]4C3)n1)CCC2 1888865641 HWRUWEKGRFRHFD-BETUJISGSA-N 356.861 2.290 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CCOCC2)ncn1 1888914160 HGNQVMXCPLBVMJ-UHFFFAOYSA-N 368.437 2.460 0 40 FEAB COc1cc2ncnc(N[C@H]3CCN(C4CCOCC4)C3)c2cc1OC 1889119511 CRHWRYFNKHYBGJ-ZDUSSCGKSA-N 358.442 2.312 0 40 FEAB C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccnc1 27957520 WZAXCSJDUPGUHR-JTQLQIEISA-N 374.871 2.178 0 40 FEAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](c2ncon2)C1 238832135 GDYDLQFADRWQKG-VIFPVBQESA-N 363.317 2.146 0 40 FEAB CCN(C)C(=O)c1cnc2n1C[C@H](NC(=O)/C=C/c1cccs1)CC2 1614940449 CLFQNZXMEJXZCY-BUUCAEBMSA-N 358.467 2.181 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 44356838 UKCPSWXROICJBD-JTQLQIEISA-N 357.482 2.234 0 40 FEAB Cn1ccnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)c1=O 585531820 HEVBRYGWHYBTSS-UHFFFAOYSA-N 368.359 2.490 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccncc1)C2=O 36661923 GFRCRSKQZPURHM-KKVAFCGZSA-N 370.453 2.246 0 40 FEAB CC(C)OCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40071747 JCPKQHMQRXQALC-GASCZTMLSA-N 356.488 2.055 0 40 FEAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnccn3)CC2)cc1F 40113899 AXUYIRWISLAIHM-UHFFFAOYSA-N 356.401 2.093 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 32787509 REWFOZBFLMYAKS-LBPRGKRZSA-N 353.469 2.439 0 40 FEAB C[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCc2ccccc21 33055999 MIYOFBOMFDRUSZ-AWEZNQCLSA-N 358.463 2.271 0 40 FEAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1291456 ZDMIIGDCQWCDRQ-UHFFFAOYSA-N 353.451 2.376 0 40 FEAB Cc1n[nH]c(CN2CCN([C@H](C)C(=O)Nc3ccccc3C(C)C)CC2)n1 76017741 KSYUQVKUVLLEPZ-OAHLLOKOSA-N 370.501 2.381 0 40 FEAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1cnccn1 2457388 AVRRCVHBNUQKAU-OXJNMPFZSA-N 374.485 2.325 0 40 FEAB CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O 4092867 VDIAQKCISZOWEH-UHFFFAOYSA-N 363.373 2.011 0 40 FEAB CCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 4250937 IWKDNIJNEWKDOT-UHFFFAOYSA-N 371.828 2.179 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 42392734 UJDOSTDOCAAGFC-YJBOKZPZSA-N 350.434 2.306 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 54325678 CNZRYRPMNYJBTM-RUZDIDTESA-N 357.435 2.347 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C(N)=O)oc2ccccc12 23883422 UUOAJQHGHLDBJS-UHFFFAOYSA-N 374.374 2.339 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)c(O)c2)cc1OC 12536199 PRTLNXAOIZINKG-UHFFFAOYSA-N 366.395 2.169 0 40 FEAB C[C@H](CN1CCOCC1)NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 26533225 NRDXCSDBCDQARZ-GFCCVEGCSA-N 374.407 2.006 0 40 FEAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 26455861 FZSCHORFQFCQRM-GOSISDBHSA-N 373.453 2.208 0 40 FEAB O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCCn1ccnc1 97161112 DZWAJUBZAWRJLE-UHFFFAOYSA-N 356.426 2.133 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(N2CCNC2=O)c1 44574593 PJOKTWFROIYZPY-OAHLLOKOSA-N 358.442 2.192 0 40 FEAB O=C(Nc1ccc(Br)cc1)C1CCN([C@H]2CCOC2=O)CC1 58227442 FJAHTLIVRXMZSB-AWEZNQCLSA-N 367.243 2.415 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 58224752 UVVYKXBQXHUSOY-GOSISDBHSA-N 369.808 2.096 0 40 FEAB CCCC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2152964 LELAZSWZMLVOQI-AWEZNQCLSA-N 361.394 2.418 0 40 FEAB biogenic COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 56906506 WKSWGBIPTLSRDE-LBPRGKRZSA-N 354.815 2.198 0 40 FEAB O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 59250876 HIHWBMLGVRYDKN-ZETCQYMHSA-N 366.137 2.193 0 40 FEAB O=C1CCCN1CCCN1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 57405854 MAMGKWYEBRQVTH-UHFFFAOYSA-N 368.433 2.446 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1 58402987 CXUUADQBBCAKOK-UHFFFAOYSA-N 355.479 2.008 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2sccc2C)n2nc(C)nc2N1 10157087 PVUZRXRRKSGHHT-CQSZACIVSA-N 359.455 2.104 0 40 FEAB Cc1nc2ccc(NC(=O)Cn3nnn(-c4cccs4)c3=O)cc2s1 10683813 TUVHXAWVHSZGJF-UHFFFAOYSA-N 372.435 2.047 0 40 FEAB CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(CC)ccc21 2427981 JQEWNHYACITYAF-SFHVURJKSA-N 374.466 2.161 0 40 FEAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2nccs2)CC1 12799991 OFUMXEFHZWWGTF-AWEZNQCLSA-N 362.474 2.451 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 11657274 YRSCBZPGKPTXLX-UHFFFAOYSA-N 362.407 2.309 0 40 FEAB COc1ccc(CCNC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)cc1 29561418 LHSWVPWROHJEGY-AWEZNQCLSA-N 366.417 2.347 0 40 FEAB CCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 3488193 YIFXKLLKZRSSSC-UHFFFAOYSA-N 368.389 2.229 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594788 ANNGDLCQMKRJDE-NRFANRHFSA-N 363.417 2.039 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2ccccn2)CC1 5062498 APAQOMDSOMGAPO-UHFFFAOYSA-N 366.421 2.119 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccco1 5199765 OKAPMWINZDWYDR-CMDGGOBGSA-N 369.421 2.227 0 40 FEAB Nn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 5335857 RPRSPJYOAWOORR-UHFFFAOYSA-N 373.482 2.429 0 40 FEAB O=C(/C=C/c1cc(F)cc2c1OCOC2)NCc1nnc2ccccn12 14169369 DUJWHYQGVVVQLB-SNAWJCMRSA-N 354.341 2.065 0 40 FEAB COc1ccc(-c2noc(CNC(=O)COc3cccc(OC)c3)n2)cc1 4512639 NSGSHCQRKXVAEZ-UHFFFAOYSA-N 369.377 2.449 0 40 FEAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccccc1 6674767 OEOUOSBYQDXMTK-UHFFFAOYSA-N 371.422 2.069 0 40 FEAB COc1ccccc1N1CCN(C(=O)C[C@@H](C)CC(=O)N2CCCC2)CC1 4739938 SOVCPURCZDXMRB-KRWDZBQOSA-N 373.497 2.383 0 40 FEAB CCS(=O)(=O)NCCSc1nnc(NC2CCCCC2)s1 68043522 SXWDRTFVEINWAY-UHFFFAOYSA-N 350.535 2.314 0 40 FEAB CC(C)CN(C(=S)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7678102 PQMVCTPKELJCIF-MRXNPFEDSA-N 354.541 2.249 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7805440 MXMRQMZETMFUKS-CQSZACIVSA-N 352.431 2.015 0 40 FEAB Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 17069773 AFALXNDGLQHXKC-UHFFFAOYSA-N 372.513 2.225 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[C@@H](C)[S@@](C)=O 84622383 ZUKLZDOVZFGRCN-YHSMVDSJSA-N 368.499 2.211 0 40 FEAB O=C(NCCCN1CCCC1)C1CCN(C(=O)CCCn2cccc2)CC1 84606439 NGDMWRUNBQUNQV-UHFFFAOYSA-N 374.529 2.109 0 40 FEAB COC(=O)[C@H](Cc1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 95465970 YLMMWLVZIWKXRA-LJQANCHMSA-N 370.449 2.392 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCO[C@H](C)C2)nn1-c1ccccc1F 95457824 JSIZRIFUMOUNFG-ZIAGYGMSSA-N 359.401 2.225 0 40 FEAB COc1cc(CC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)ccc1C 95458945 VIYSSCWJUWUNKM-QGZVFWFLSA-N 357.454 2.497 0 40 FEAB CC(C)(C)[C@H](NC(=O)Nc1cccc(Cl)c1N1CCOCC1)C(N)=O 89694547 ZAKXXIRBCSPXTG-CQSZACIVSA-N 368.865 2.198 0 40 FEAB CCc1onc(C)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 502317808 IWJNUDGYVHTPEL-KDOFPFPSSA-N 354.410 2.175 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N3CCOc4cccc(F)c4C3)cnc12 513104665 LRCYDDRALPUWSJ-UHFFFAOYSA-N 367.380 2.265 0 40 FEAB COCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 521393999 DAEHADBCAKRDLA-UHFFFAOYSA-N 363.391 2.057 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353300 ZPUYLKYOBUSOGD-AWEZNQCLSA-N 361.471 2.206 0 40 FEAB OC[C@H]1CCCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 72340132 XSZBDNCITPVJBP-AWEZNQCLSA-N 351.410 2.398 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(F)cc2)C1(CO)CO 218549813 UFROXKDZTPJNIG-HZPDHXFCSA-N 370.829 2.390 0 40 FEAB COC(=O)C1=C2C(=O)OCCN2C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 72238860 NKBWSYOIJKYTOK-LLVKDONJSA-N 371.176 2.044 0 40 FEAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223118602 BMFVIMIWVSYUGS-IBGZPJMESA-N 374.868 2.408 0 40 FEAB O=C(NCCOc1ccc(F)cc1)c1cccc(CN2CCOCC2)c1 224345414 TVWNDVJDMKDRLJ-UHFFFAOYSA-N 358.413 2.467 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@@H]1C(=O)O 573110566 RKNICZKEQRNYMH-DOMZBBRYSA-N 361.423 2.017 0 40 FEAB CN(c1ccc(OCC(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 47363120 YMVHBQFUTRAGEO-UHFFFAOYSA-N 354.472 2.158 0 40 FEAB COc1ccc(C2(C(=O)NC[C@](C)(O)c3ccco3)CCOCC2)cc1 85554922 WMMGPJBDWPXNIC-IBGZPJMESA-N 359.422 2.360 0 40 FEAB O=C(c1cnccn1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96228246 KMKJRXQHCWMZJL-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB COc1ccccc1C1=NC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1 98213891 LWDSZRGARCWGRA-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB Cc1occc1C(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048523 LVKBHOCCZFKDGJ-KBXCAEBGSA-N 360.389 2.393 0 40 FEAB Cn1ccnc1CN1CCC[C@]2(COCCN(c3ncccc3F)C2)C1 96229073 XIARHGJZMACQHA-IBGZPJMESA-N 359.449 2.073 0 40 FEAB O=C(O)CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C1CCOCC1 583650560 JQNWXZZNDREMMR-OWOJBTEDSA-N 367.785 2.174 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(C(=O)c3cscn3)[C@H]2C1 96090595 YPTLFGDDGLIQEM-WFASDCNBSA-N 361.854 2.322 0 40 FEAB CC(=O)N1CCc2cc(C(=O)N3C[C@@H](N)CC[C@@H]3C(F)(F)F)ccc21 622761605 SKJMPTXBFLFLIQ-DZGCQCFKSA-N 355.360 2.090 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 629108021 OXBMASMIPPTPQR-NEPJUHHUSA-N 354.332 2.367 0 40 FEAB O=C(N[C@@]1(C(=O)O)CCc2ccccc21)c1cccc(N2CCCC2=O)c1 675988543 LCWJRUDHRHHHDC-NRFANRHFSA-N 364.401 2.470 0 40 FEAB O=C(O)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1 653643739 IZTKMBZGNDQRAV-KRWDZBQOSA-N 358.438 2.225 0 40 FEAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN(C(=O)c3cnc[nH]3)C2)n1 585182516 ZUMGIUOUEOVHAJ-CQSZACIVSA-N 363.425 2.667 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2cccn2C1 585099254 YXLJLRCVRVJDEW-OAHLLOKOSA-N 362.433 2.445 0 40 FEAB Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)n(C)n1 585098236 SKZFDQBAXGURKE-OAHLLOKOSA-N 358.490 2.084 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3C)C2)c(O)n1 585277911 XOEKGQPOLMKVFL-HXUWFJFHSA-N 356.422 2.450 0 40 FEAB COc1ccccc1OCC(=O)N1CCCN([C@H]2CCSC2)CC1 1565522730 YKKALIBWFGBSTB-HNNXBMFYSA-N 350.484 2.114 0 40 FEAB C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccccc1F 12084926 XCAKFDBUXNWMIX-AWEZNQCLSA-N 357.429 2.399 0 40 FEAB CCOc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 13669921 CJRHCLXTORSKGR-AWEZNQCLSA-N 354.472 2.110 0 40 FEAB C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 14969724 FPNYZEUDIBOJQA-GUYDQXOLSA-N 362.422 2.406 0 40 FEAB biogenic,in-vitro O=C(Nc1ncn(Cc2ccc(F)cc2)n1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17073916 CONNZTFETWOUAQ-NEBZKDRISA-N 358.373 2.151 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)NCc3ccc(Cl)s3)CCN2C)n1 582196782 SSVKVIGCLXMKHU-NSHDSACASA-N 355.851 2.291 0 40 FEAB NC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3476601 DAVOERQAOFDCLZ-UHFFFAOYSA-N 362.769 2.271 0 40 FEAB O=S(=O)(C1CC1)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888879164 ATHDSVIMJUIYGM-HZPDHXFCSA-N 370.478 2.004 0 40 FEAB CCn1cnc2c(N3CCN(c4cnc5ccccc5n4)CC3)ncnc21 1888922126 OVLAOIZXFWYQDN-UHFFFAOYSA-N 360.425 2.116 0 40 FEAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCOCC2)nc1 29833749 XIKVBSWUBUHCNJ-INIZCTEOSA-N 353.378 2.159 0 40 FEAB NC(=O)N[C@H](CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 29974443 RKVJJSWVSKMBBV-SECBINFHSA-N 368.153 2.227 0 40 FEAB O=C1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CN1Cc1ccncc1 1565556792 WBXCZQWZWWZQMD-UHFFFAOYSA-N 363.408 2.468 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1565555356 YFEPNKUSTMFYCS-UHFFFAOYSA-N 367.449 2.474 0 40 FEAB O=C(NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F)c1cccnc1 1036948 ONAIXHRKJGBOKX-UHFFFAOYSA-N 355.238 2.255 0 40 FEAB CNC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc(C)c1C 4570444 IMULBPWSVVSDRP-UHFFFAOYSA-N 366.464 2.137 0 40 FEAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NCc1ccncc1 38498110 UTAYWCUZIGIISC-UHFFFAOYSA-N 351.362 2.367 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@H](CN(C)C)CO2 72395242 QCKSAKOZTZDKTA-UYAOXDASSA-N 353.466 2.346 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)s1 21348537 OPOSOGYTDXOUTM-MRVWCRGKSA-N 366.483 2.413 0 40 FEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)nc1 40059957 PNUZVZAMEFYOAN-UHFFFAOYSA-N 362.455 2.324 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119976 LLWPWXGDDLMIEH-UKRRQHHQSA-N 370.371 2.349 0 40 FEAB Cc1[nH]nc2c1[C@H](c1cccc(Br)c1)c1c([nH]c(=O)[nH]c1=O)N2 31809440 VRTKCPOPDCWTTC-JTQLQIEISA-N 374.198 2.094 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 51443748 DOTPGSXMDNJXHZ-ZDUSSCGKSA-N 353.422 2.176 0 40 FEAB CCC(CC)CN(CC)C(=O)CNC1=NS(=O)(=O)c2ccccc21 32263027 QZQGVZBYRQSGIT-UHFFFAOYSA-N 351.472 2.010 0 40 FEAB COc1ccccc1CNC(=O)CS(=O)(=O)CCCc1ccccc1 32480831 YUWMUZPTQUVWGA-UHFFFAOYSA-N 361.463 2.359 0 40 FEAB CCOC(=O)c1c(NC(=O)CN(C)C)sc(C(=O)N(CC)CC)c1C 2638904 XVBWHGPHCGEIAU-UHFFFAOYSA-N 369.487 2.215 0 40 FEAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2619587 IUIRSMXETZCFNL-MRXNPFEDSA-N 357.332 2.399 0 40 FEAB Cc1cc(C)n2c(SCCN3C(=O)c4ccccc4C3=O)nnc2n1 1441818 OYUILPOZIIPORH-UHFFFAOYSA-N 353.407 2.129 0 40 FEAB Cc1cc(O)nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n12 4249885 MQNUSTIQVVJCPC-UHFFFAOYSA-N 351.338 2.147 0 40 FEAB CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CC[C@H](C)C3 6544043 OGEAWRRUJTZEDX-VIFPVBQESA-N 351.497 2.441 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1 6587432 BWMLSGLHQUZGAJ-CQSZACIVSA-N 362.451 2.193 0 40 FEAB C[C@H](OCC1CC1)C(=O)OCCN1CCCN(C(=O)OC(C)(C)C)CC1 97117287 KTMJZZGSAYHTNW-HNNXBMFYSA-N 370.490 2.288 0 40 FEAB Cc1noc(C)c1COc1ccc(CC(=O)NCCNC(=O)C(C)C)cc1 22988430 KNNJPTUVNVSNJM-UHFFFAOYSA-N 373.453 2.301 0 40 FEAB CN(CCOc1ccc(Cl)cc1)CC(=O)NC(=O)NC1CCCC1 8120590 KVBATJVPLVVHDU-UHFFFAOYSA-N 353.850 2.419 0 40 FEAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)s1 8474663 WCWZGIXTBADWDP-UHFFFAOYSA-N 362.411 2.056 0 40 FEAB Nc1nnc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)s1 8496571 VIFOTDASOAMODA-UHFFFAOYSA-N 352.363 2.397 0 40 FEAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 24874892 GETZHWXJKPIZOU-HZPDHXFCSA-N 356.422 2.150 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 9957391 WQAPTBSMFBSTOQ-KPKJPENVSA-N 367.379 2.009 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2c(s1)CCC2 25768457 RENZPBYRMNWNHL-UHFFFAOYSA-N 362.455 2.215 0 40 FEAB CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)S(=O)(=O)c1ccccc1 43780200 CZHLKJRVOPJLMC-WBVHZDCISA-N 350.484 2.488 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)C1=O 25982467 UWIBVHLVPFHWIV-MRXNPFEDSA-N 369.343 2.042 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)C1 12598632 AMHOYIMMTKAESS-INMHGKMJSA-N 357.454 2.044 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccncc2)CC1 57997382 ZTQXJGKJTIGGQB-UHFFFAOYSA-N 361.449 2.154 0 40 FEAB CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)NCc2ccccn2)s1 44894118 NDQBXKACSHOJKA-HNNXBMFYSA-N 374.466 2.308 0 40 FEAB CCCCOc1ccc(C(=O)OCC(=O)NC(=O)c2cccn2C)cc1 10285066 GNPYORPTHMLXCB-UHFFFAOYSA-N 358.394 2.317 0 40 FEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(CCCOCC(F)(F)F)CC1 58231871 JXFCAMJTLUTXSW-UHFFFAOYSA-N 360.380 2.014 0 40 FEAB COc1ccc(OCCNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 58404487 RXAALZMIRCCWLT-UHFFFAOYSA-N 354.406 2.413 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCC2)Oc2ccc(Cl)cc21 22525778 LZUHVLODJYLDMY-HNNXBMFYSA-N 372.874 2.316 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)c1csc(Br)c1 36396808 IKCNDBOZROCOID-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB COc1ccc(CCNCC(=O)N2CCc3ccccc3C2)cc1OC 3342463 XIKTUXJZWDQGNR-UHFFFAOYSA-N 354.450 2.421 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 28936950 AKWWTOCUQRGDJB-HZPDHXFCSA-N 373.497 2.431 0 40 FEAB O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1Cc1ccc2c(c1)OCO2 3357701 OVSLYUIQINKFPD-HNNXBMFYSA-N 352.415 2.469 0 40 FEAB Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)nnn1-c1ccc(F)cc1 48380477 IQOYSDBBUJJRIP-OAHLLOKOSA-N 357.389 2.341 0 40 FEAB CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3644893 JWEUJNVOSQNZPQ-UHFFFAOYSA-N 358.419 2.341 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 5016607 ZZYMXDCGWZAOIE-UHFFFAOYSA-N 354.472 2.011 0 40 FEAB O=C(CC(C1CC1)C1CC1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 65042002 HLROQDIRPVSMQE-UHFFFAOYSA-N 365.451 2.479 0 40 FEAB O=C(CC1CCCC1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380552 NJFLVLVDNRCJTK-MRXNPFEDSA-N 374.485 2.168 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 14066114 KCOKZMVJYWCCRG-SNVBAGLBSA-N 357.366 2.390 0 40 FEAB Cc1cc(C)n2nc(SCc3cc(=O)n4c(C)csc4n3)nc2n1 4523708 KKQFAEQOSPHCSL-UHFFFAOYSA-N 358.452 2.411 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCc2ccc(F)cc2)CC1 4696036 ILSUDVWJOMSYKA-UHFFFAOYSA-N 364.417 2.024 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c1C 9219312 DXSRZLTZUHISDE-SECBINFHSA-N 364.320 2.032 0 40 FEAB O=C(O)CCNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 4837507 PCVAZYNWMTXPRH-VBKFSLOCSA-N 356.353 2.188 0 40 FEAB COc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1OC 7927877 CZXPAWMWPUJWSS-UHFFFAOYSA-N 362.407 2.308 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)COc2ccc(-c3ccccc3)cc2)C1=O 8039288 DTAFIYQKPMBSOP-FQEVSTJZSA-N 367.405 2.484 0 40 FEAB O=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCCC1 8297625 TXHCWLNRFGCJJL-UHFFFAOYSA-N 350.220 2.115 0 40 FEAB CC(=O)OCCCSc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 69391026 NRVPZXMWPWEDCM-UHFFFAOYSA-N 369.468 2.266 0 40 FEAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)c1nncn1C 84727253 DVGFKRJQMOYQNF-LBPRGKRZSA-N 368.482 2.259 0 40 FEAB CCOC[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 73672058 JHGFXBRHRBKLAF-OAHLLOKOSA-N 374.485 2.086 0 40 FEAB COc1cccc(-c2nc(CCn3c(C)cc(=O)cc3O)no2)c1OC 1547208914 HLSJNHJIKJPSLL-UHFFFAOYSA-N 357.366 2.172 0 40 FEAB CCCNC(=O)CN1CCC(Nc2nc3ccc(OC)cc3nc2C)CC1 549463009 MKFWKXBMCSZUNP-UHFFFAOYSA-N 371.485 2.349 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)NCc2nc3ccccc3s2)C1=O 36668049 CUYADYDLSWIQEA-UHFFFAOYSA-N 360.439 2.023 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)COc3coc(C)cc3=O)c2c1 72326073 LANGPFAXGZHXKE-UHFFFAOYSA-N 356.378 2.176 0 40 FEAB biogenic CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)c(C)c1 70953607 GAGBJIMOPCTIAH-UHFFFAOYSA-N 373.434 2.040 0 40 FEAB O=C(C[S@@](=O)CC(=O)Nc1cccnc1)Nc1ccc(Cl)cc1 35290119 UFLDGSUTJNHIHK-QHCPKHFHSA-N 351.815 2.061 0 40 FEAB Cc1ncsc1C(=O)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 72355418 FAOGZZKYMUUJNQ-ZDUSSCGKSA-N 354.439 2.447 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1 217600529 ZINCYERGDGFQDI-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB S=C(Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1)NC1CC1 226003014 QMSCETBEPRVWLE-UHFFFAOYSA-N 373.511 2.467 0 40 FEAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)CCc4ccccc4C)C[C@H]3O2)o1 96218491 YIZMKCSPHAHZQK-OKZBNKHCSA-N 355.438 2.478 0 40 FEAB COC[C@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCOCC3)c21 96198460 WFJOURQSDFDDLE-GOSISDBHSA-N 359.470 2.492 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c1 244427682 YXGKEIBFFWVSGQ-UHFFFAOYSA-N 374.462 2.280 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 257259807 LADAAPLFOKENGJ-KRWDZBQOSA-N 354.458 2.099 0 40 FEAB CN(C)C(=O)c1cnc(NC2CCN(c3cccnn3)CC2)c(Cl)c1 277226356 SHHGFVFJGLXVFF-UHFFFAOYSA-N 360.849 2.308 0 40 FEAB Cc1cc([C@@H](NC(=O)c2ccn(C3CCOCC3)n2)C(=O)O)ccc1F 630188207 GKTPZFDYTBGXBN-MRXNPFEDSA-N 361.373 2.238 0 40 FEAB C[C@@H](CC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1)C(F)(F)F 630141657 QURWXROWOWZYAP-ZETCQYMHSA-N 353.318 2.315 0 40 FEAB CCOCCCC(=O)N1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 1775991541 KMUPBTVJXVNEEW-LJQANCHMSA-N 356.507 2.219 0 40 FEAB CC(=O)N[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1c1nccn1C 1615548713 OOHCQRYTTVOYHX-HUUCEWRRSA-N 368.462 2.379 0 40 FEAB CNc1cccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 585276848 OZAPABXLJNYMMV-LJQANCHMSA-N 359.401 2.309 0 40 FEAB CCOC(=O)N1CCC(NC(=O)COC(=O)C=C2CCCCC2)CC1 64132069 SGSLYEAFJSSUHE-UHFFFAOYSA-N 352.431 2.157 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@@H](N4CCNC4=O)C3)ccc12 58080991 JSGHTYCACLXAAG-CQSZACIVSA-N 370.409 2.123 0 40 FEAB Cc1cnn(CC(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)c1 19239952 FQBNPVLYMBSYIA-UHFFFAOYSA-N 356.426 2.222 0 40 FEAB Cn1nccc1-c1nc(NCCN2CCOCC2)ncc1-c1ccsc1 19289244 QQXFMCFXVVYESP-UHFFFAOYSA-N 370.482 2.350 0 40 FEAB O=C(c1cscn1)N1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 19341527 AMBQZALQIQWLTH-OCCSQVGLSA-N 352.423 2.056 0 40 FEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)C1CCCC1)CC2 19711460 VKZBPRZVQCZWBF-HNNXBMFYSA-N 357.502 2.402 0 40 FEAB CCOc1cc(N2CCN(C(=O)c3cccc(OC)c3)CC2)nc(C)n1 11613210 DHZLZXDKRDFSPY-UHFFFAOYSA-N 356.426 2.155 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]1CO 249074333 KLJCPDBQYPQQON-VNHYZAJKSA-N 369.412 2.279 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1ccccn1 566506667 YUDFMBQFVKVOGI-INIZCTEOSA-N 353.378 2.413 0 40 FEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3600389 FZMPKQLFQRMMBJ-KRWDZBQOSA-N 361.785 2.016 0 40 FEAB Cc1noc(CN2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)n1 1888897805 XPRMKUOZPYCFAT-UHFFFAOYSA-N 371.470 2.231 0 40 FEAB OC1(CN2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)CCOCC1 1889082734 KVIFMVQYUOBRIL-ZFWWWQNUSA-N 371.403 2.152 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(CCCN2Cc2cccnc2)CC1 1565548283 WYZMIOCSPXBUSE-UHFFFAOYSA-N 365.481 2.461 0 40 FEAB COc1ccc(CC(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O)cc1 3911756 XORBBUOAAHIHAE-UHFFFAOYSA-N 366.417 2.447 0 40 FEAB COCCN[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O 5257982 DDONDVNYJUOIJP-QGZVFWFLSA-N 357.410 2.448 0 40 FEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccc(OC)cc2)n1 7419788 AWIGWWGOQHDLEZ-UHFFFAOYSA-N 367.409 2.016 0 40 FEAB COc1cccc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)c1 2055772869 OQFQEPBSZIJUNA-NRFANRHFSA-N 360.498 2.399 0 40 FEAB O=C(C1CC(F)C1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751303 HRNLPSIVLSDJSE-UHFFFAOYSA-N 359.445 2.440 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](NC(=O)c4cccnc4)CCO3)C2)o1 2055834934 CSCVHPHKDYCBDX-OXQOHEQNSA-N 369.421 2.177 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)c2ccncc2n1 2086865246 ZWLWSHMYAULJLO-OKILXGFUSA-N 350.401 2.440 0 40 FEAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cnn(-c2ccccc2)n1 618257639 ZIACTFQSYABCRJ-OAHLLOKOSA-N 353.451 2.333 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 5234527 IAYVVEFEQFYVOB-UHFFFAOYSA-N 352.799 2.263 0 40 FEAB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1ccc(Oc2ccccc2)cc1 3248681 DOUPKVGLUZDPMF-MRXNPFEDSA-N 354.362 2.239 0 40 FEAB C[C@@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccc2c(c1)OCO2 75155446 NYCLJXQLMXACCN-QGZVFWFLSA-N 357.391 2.058 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 102472268 QPVDJBPHHAXGSN-UKRRQHHQSA-N 367.515 2.304 0 40 FEAB CCOC(=O)[C@H]1[C@H]2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12 694674 IOVGLDIRFHJORF-UHIISALHSA-N 371.256 2.256 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)NC3(CCC3)C2=O)ccc1Br 78726023 XIQMEDUBVVDPSH-UHFFFAOYSA-N 366.215 2.171 0 40 FEAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 53158806 XUWBKLLSFSQBNT-UHFFFAOYSA-N 360.389 2.039 0 40 FEAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)c1 4852305 JSQXMLAYMTYYJO-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 57486011 UAPSPEFJZQMDQK-UHFFFAOYSA-N 371.462 2.197 0 40 FEAB Cc1ccc(OC[C@@H](C)NC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 58377648 PKQKTPNDNUVMAN-CABCVRRESA-N 359.426 2.359 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1cccc2cccnc12 102139345 GXSRITXPICVVHD-QBXQWZBTSA-N 374.396 2.193 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12533048 ZZPBWEPLGURLBM-IBGZPJMESA-N 365.433 2.027 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1N1CCCC1=O 20490918 IBGQFOKPBRHMTE-UHFFFAOYSA-N 352.456 2.385 0 40 FEAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccco1 58180812 RDOONYOUTKUCDA-IRXDYDNUSA-N 371.485 2.485 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1S(C)(=O)=O 10324045 LBEGFRHYPNEYIC-CQSZACIVSA-N 358.463 2.370 0 40 FEAB CNC(=O)NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3366166 ZIXWYIJKANMNQT-UHFFFAOYSA-N 360.370 2.332 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc12 58440787 VIRDPIICEXHDKX-HOTGVXAUSA-N 373.457 2.469 0 40 FEAB Cc1cnc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cn1 48358749 IMMHWZBPWWCOTM-HOTGVXAUSA-N 354.454 2.324 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 12914841 UDOOMZOBGQBNEM-ZDUSSCGKSA-N 369.421 2.235 0 40 FEAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CCCC2)NC(=O)NC1 18327285 OUZJGAGFZCORTA-UHFFFAOYSA-N 372.421 2.172 0 40 FEAB O=C(COc1ccc2c(c1)OCCO2)Nc1cccc(C(=O)NC2CC2)c1 9691016 BDMQDPRUSIGGNO-UHFFFAOYSA-N 368.389 2.368 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N(C)CC(=O)NC2CC2)c(C)c1 19297616 GBMQMDNVGZJUKB-UHFFFAOYSA-N 372.494 2.318 0 40 FEAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 65250917 XPLDSKXPCWNUPP-UHFFFAOYSA-N 364.365 2.403 0 40 FEAB CC[C@H](OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C(=O)Nc1cc(C)on1 14022056 LOFUMOBCKLMCTH-NSHDSACASA-N 363.370 2.289 0 40 FEAB O=C1O[C@H](C(=O)Nc2ccccc2C(=O)NC2CC2)Cc2ccccc21 6649381 UFNHSDDJMZBFST-KRWDZBQOSA-N 350.374 2.299 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccs1 6657937 DAVVSFXNOMFYHV-UHFFFAOYSA-N 357.435 2.202 0 40 FEAB COC(=O)C[C@H]1C(=O)NCCN1CCCOc1ccc(C(C)(C)C)cc1 96797845 UMOPDHASELIBOP-KRWDZBQOSA-N 362.470 2.117 0 40 FEAB O=C(/C=C/c1ccc(I)o1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 96010773 GQBYMNKBDCYDIR-WGMCZUDJSA-N 373.190 2.127 0 40 FEAB Oc1ccccc1N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 7528938 PDRAJXGMJIOEME-UHFFFAOYSA-N 371.462 2.318 0 40 FEAB O=C(CSc1ccc2c(c1)CCC2)N1CCN(c2ncccn2)CC1 7688052 VFGQWKULQGUJGQ-UHFFFAOYSA-N 354.479 2.406 0 40 FEAB CNC(=O)c1ccc(CN(C)CC(=O)N2CCc3ccccc3C2)cc1 7880644 DBXJECYDZRDJKK-UHFFFAOYSA-N 351.450 2.063 0 40 FEAB CNC(=O)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7995608 UDNDYHJOAWCRLI-ZDUSSCGKSA-N 369.421 2.234 0 40 FEAB O=c1[nH]c(CSc2nnnn2Cc2cccs2)nc2ccsc12 8013635 KLOXGBPQFLQEPQ-UHFFFAOYSA-N 362.465 2.373 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 16966361 INPHDGHJWDXFQC-AWEZNQCLSA-N 355.438 2.308 0 40 FEAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@H](CN2CCOCC2)C1 69745734 FAVWELVQCBMLBY-CQSZACIVSA-N 360.483 2.323 0 40 FEAB CN[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541385 XNTLDGOMHINCRE-SECBINFHSA-N 353.307 2.192 0 40 FEAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(OC2CCCC2)cc1 97013299 NCAUQKTWTMOMCH-INIZCTEOSA-N 362.455 2.413 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)CS(=O)(=O)c2cccs2)c1 95398211 PUFJFMIISRQKGU-LLVKDONJSA-N 369.464 2.416 0 40 FEAB O=S(=O)(Nc1nc2ncccn2n1)c1ccc(OC2CCCC2)cc1 95959365 DGVPJAGIHNHKIE-UHFFFAOYSA-N 359.411 2.247 0 40 FEAB COC(=O)Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2OC)cc1 39996276 QZQBRDFIRQLWRA-AWEZNQCLSA-N 357.406 2.494 0 40 FEAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 518985104 NKDCJHWSBXZOHT-VVLHAWIVSA-N 356.422 2.003 0 40 FEAB O=C(NCc1nc(-c2ccccc2)no1)c1coc(NC(=O)C2CC2)n1 70638726 LZVLWYQYFVECAF-UHFFFAOYSA-N 353.338 2.003 0 40 FEAB COC(=O)C1=C(C)[C@@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccc(C)cc1 33690999 REKRNFVTKDMSGE-HXUWFJFHSA-N 357.406 2.320 0 40 FEAB CC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O 39985679 NOKYUMUFXCJUFF-BONVTDFDSA-N 361.225 2.454 0 40 FEAB COc1ccc(C(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 40386112 SJMCEVLWXMNXNE-KRWDZBQOSA-N 350.374 2.487 0 40 FEAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1 225314409 QGPMUJPRIVSBDW-UHFFFAOYSA-N 354.815 2.291 0 40 FEAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1ccccn1 96111672 WWSZZMPPIRXFCI-WMZOPIPTSA-N 363.417 2.387 0 40 FEAB biogenic,in-vitro CC(C)n1nnnc1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 583621859 DWJGUZSIRVYQCQ-JTQLQIEISA-N 359.356 2.469 0 40 FEAB Cc1cnc(N2CCC3(CCN(C(=O)Cc4cccnc4)C3)CC2)nc1 96157517 OQSMLLUOHJNGOT-UHFFFAOYSA-N 351.454 2.242 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(c2ccncn2)C1 257222841 DUWFKHNSAIGWOT-LLVKDONJSA-N 354.439 2.177 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24045267 GIYDYZHRPCFWAH-UHFFFAOYSA-N 364.492 2.190 0 40 FEAB COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O 257253690 JZWUHYNWUWKVMD-DZIWXPPMSA-N 357.454 2.484 0 40 FEAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccncc2F)CC[C@@]1(C)O 604382270 MQNMLXBUFDBXMZ-SLFFLAALSA-N 357.429 2.423 0 40 FEAB biogenic,in-vitro O=C(CN1CCOCC1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257202832 ANPQQDLYSNWGAP-SFHVURJKSA-N 369.465 2.304 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCC[C@H](Cc3nccn4cccc34)CC2)c1 257329647 XKVLKEKEDBPJMO-HNNXBMFYSA-N 373.482 2.101 0 40 FEAB CCCn1cc(CN2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257249051 JGMJNJRABHDAMS-CQSZACIVSA-N 351.476 2.147 0 40 FEAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2C(=O)C1CCC(F)(F)CC1 257208291 BLNCGXPIACMNAY-YQQAZPJKSA-N 358.429 2.032 0 40 FEAB CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 267608063 KJVCQYRTTKLCHN-LYSPQLLHSA-N 351.394 2.098 0 40 FEAB Cn1ccc(C(=O)NCCCN(C(=O)c2ccccc2Cl)C2CC2)n1 1775996878 LMVAMGXWSNOIHU-UHFFFAOYSA-N 360.845 2.498 0 40 FEAB Cn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108388 DJMVGJWCQSHNNP-QUCCMNQESA-N 370.453 2.043 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 585108894 CAXMAPWSHWCRHP-RYQLBKOJSA-N 358.438 2.169 0 40 FEAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3ccnc3)[C@H]2O)c1 585285529 FDQGCJXXWNQOTI-YVWKXTFCSA-N 357.454 2.306 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1cc2c(s1)-c1ccccc1OC2 5305204 FTPCFSONTBKWKK-UHFFFAOYSA-N 359.403 2.323 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)CCC#N)cc1 11211472 WWESASMUHOSCRO-INIZCTEOSA-N 358.467 2.392 0 40 FEAB O=C(Cn1ncc2cccn2c1=O)Nc1ccc(N2CCCCC2)cc1 12117322 FPZVQZYHUAJONH-UHFFFAOYSA-N 351.410 2.125 0 40 FEAB Cc1cc(N2CCN(C(=O)CCc3cc(OC(C)C)no3)CC2)nc(C)n1 12325907 DMSJVYJEPOHYLL-UHFFFAOYSA-N 373.457 2.150 0 40 FEAB O=C1C[C@@H](c2nc(-c3ccncc3)no2)CN1c1ccc2c(c1)OCO2 17170435 GIDFERHPQPJXNS-GFCCVEGCSA-N 350.334 2.381 0 40 FEAB O=C(c1cc(C2CCN(Cc3cccnc3)CC2)no1)N1CCC[C@@H](O)C1 19338939 AWVDDWGOONKNGF-QGZVFWFLSA-N 370.453 2.046 0 40 FEAB COCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19451621 YNJCCEVEYHCTQU-UHFFFAOYSA-N 369.469 2.393 0 40 FEAB NC(=O)c1[nH]c(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc1-c1ccccc1 19698886 BUNZLZFWYYPBFR-OAHLLOKOSA-N 368.437 2.061 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 19705888 HOENTSDZBWULQR-MRXNPFEDSA-N 370.453 2.337 0 40 FEAB C[C@]1(C(=O)NC2CCCC2)CCCN(C(=O)Cn2nnc3ccccc32)C1 19746695 SFESWGKSQJUTON-FQEVSTJZSA-N 369.469 2.119 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 169295557 HHCFNYSZKIHTSQ-MJVIPROJSA-N 371.340 2.247 0 40 FEAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCOC(C)C)C3)cc1 9317338 GDZDZMUYXMQRFK-GOSISDBHSA-N 373.453 2.351 0 40 FEAB CN(Cc1cn(C)nn1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 660765553 WLKHLDSMVUTBQR-NSHDSACASA-N 356.213 2.397 0 40 FEAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 1848354318 JHWYRNFMWLCBDU-ROUUACIJSA-N 354.381 2.011 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(Br)cc1F 5781854 BTVLSFJXXAZCJP-JTQLQIEISA-N 364.240 2.317 0 40 FEAB Cn1nc(COCC2CC2)c2c1CN(C(=O)Cc1ccc(F)cn1)CC2 1565547792 NRNNHEJMQRCCAZ-UHFFFAOYSA-N 358.417 2.008 0 40 FEAB CCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 4912503 MAOLAOLBCISROG-UHFFFAOYSA-N 365.437 2.143 0 40 FEAB NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccccc1F 5143425 YFFKFJDBHSNOSI-UHFFFAOYSA-N 355.373 2.395 0 40 FEAB O=C(NCc1ccccc1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065589 NTDQPUCGSBDHAH-HNNXBMFYSA-N 367.405 2.268 0 40 FEAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 9036992 XBNMSGJVUHXKJN-CYBMUJFWSA-N 350.465 2.388 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]2O1 2055730150 FVFKKIQOOJLLIO-USXIJHARSA-N 359.470 2.092 0 40 FEAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cccc2c1OCCO2 238854682 JUVIVLVQWASFEK-NRFANRHFSA-N 369.417 2.420 0 40 FEAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 96836404 QPOTZTZDFPWYNX-RTBURBONSA-N 374.506 2.391 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)Nc1ccccc1 40159601 LGOOFUAKIMWGHB-MRXNPFEDSA-N 369.421 2.497 0 40 FEAB c1nc2c3c4c(sc3nc(NCCCN3CCOCC3)n2n1)CCCC4 20501960 QFAJYEHLHLICFC-UHFFFAOYSA-N 372.498 2.352 0 40 FEAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCO)c(=N)c32)cc1 101163043 YJZFILSQFNLXDO-KRWDZBQOSA-N 365.389 2.355 0 40 FEAB O=C1C[C@H](Nc2ccccc2N2CCOCC2)C(=O)N1c1ccc(F)cc1 101984897 YCZLEOMVXMVVIX-KRWDZBQOSA-N 369.396 2.406 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](CO)Cc3ccsc3)CC2=O)cc1 32803177 OVTSFQJHNHWWPM-IRXDYDNUSA-N 372.490 2.377 0 40 FEAB O=C(NC1=NCCS1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2625591 RCGALYQQCJCLMI-UHFFFAOYSA-N 364.430 2.277 0 40 FEAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCNC1=O 79373666 XALMMWNTKLJGRS-UHFFFAOYSA-N 372.381 2.428 0 40 FEAB CCn1c(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)nc1=S 2144999 IQROFDNPECNEHP-LLVKDONJSA-N 364.379 2.321 0 40 FEAB biogenic O=S(=O)(NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 133473453 HRHWPTINEXXQHD-UHFFFAOYSA-N 373.316 2.495 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1C 4155212 KQSYOBQZSYZSAI-YTWAJWBKSA-N 350.396 2.090 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487859 CYQBIBRVAZRZGH-PAURTPPISA-N 367.373 2.161 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1Cl 22666636 HHPOAJOCGYJIHK-UHFFFAOYSA-N 360.797 2.457 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1S(=O)(=O)NC1CC1 7272170 FDGZMPPEHLPMPZ-IUODEOHRSA-N 366.483 2.444 0 40 FEAB O=C(Cn1ccccc1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8724471 ZIIFOLAQCPOMQZ-UHFFFAOYSA-N 363.421 2.472 0 40 FEAB COc1ccc(CCNC(=O)c2nc(-c3ccncc3)no2)cc1OC 12322785 OVPIEXBTIYQQCT-UHFFFAOYSA-N 354.366 2.121 0 40 FEAB C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@@H](C(N)=O)Cc2ccccc21 106532054 DQSYFEPEGSMXAA-QAPCUYQASA-N 351.450 2.370 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 47498353 ISBPRJHENMOHPN-UHFFFAOYSA-N 352.441 2.141 0 40 FEAB CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)CC)s2)c1 27664622 BMLFLTCANZKRIX-UHFFFAOYSA-N 355.441 2.373 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1OC 10288569 QUEJYNBOVZQJHK-LBPRGKRZSA-N 374.359 2.235 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 58215647 ZBGNKOXZDBBAHZ-UXHICEINSA-N 357.498 2.416 0 40 FEAB COc1ccccc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 108527150 VPUKUQHTCFVQTI-KRWDZBQOSA-N 361.486 2.480 0 40 FEAB COc1ccccc1NC1=N[C@@H](c2ccncc2)n2c(nc(C)cc2=O)N1 104017258 VYNSSQGRVCBFGY-QGZVFWFLSA-N 362.393 2.396 0 40 FEAB O=C1CCC(=O)N1CCSc1nnc(COc2ccc(F)cc2)o1 28012355 ZMAFAKRSSNCHPX-UHFFFAOYSA-N 351.359 2.029 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1c2ccccc2CC[C@H]1C 10811668 DQHLJTDAJPGLFX-CYBMUJFWSA-N 355.438 2.491 0 40 FEAB CC[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCO1 12885093 ZNYMPKHAKLOQSV-AWEZNQCLSA-N 369.259 2.206 0 40 FEAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)no1 12848104 JMBAUIQBBCCDSK-INIZCTEOSA-N 363.439 2.162 0 40 FEAB Cc1ccc(OCCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 18074814 PHILAFHSFWHWEM-UHFFFAOYSA-N 351.406 2.359 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1C1CC1 3484262 GVWPTVXUABNZBD-UHFFFAOYSA-N 355.370 2.202 0 40 FEAB C[C@H](C(=O)O)n1c(S[C@@H]2CCCCNC2=O)nnc1-c1cccs1 12936222 ZBXLYMHNVBXORS-MWLCHTKSSA-N 366.468 2.413 0 40 FEAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N1CCOCC1 8709032 FQPFQCZZNZFSOD-LLVKDONJSA-N 352.847 2.260 0 40 FEAB COC(=O)c1ccc([C@@H]2C3=C(Nc4nnnn42)c2ccccc2OC3)cc1 13124405 SREVFUVQCJFIJQ-QGZVFWFLSA-N 361.361 2.278 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 8735571 GNMSGOPYXNKSAF-UHFFFAOYSA-N 374.462 2.352 0 40 FEAB COc1cc2[nH]c(C(=O)N(C)C3CCN(C)CC3)cc2c(OC)c1OC 5345736 GWJMEDYYTNDKMB-UHFFFAOYSA-N 361.442 2.360 0 40 FEAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnc2n(c1=O)CCS2 14198901 DSNLKRGGJANYEW-GFCCVEGCSA-N 363.439 2.455 0 40 FEAB CCCCn1c(=O)c2ccccc2n2c(S[C@H]3CCOC3=O)nnc12 4509865 LSBGXABSQYYUGZ-ZDUSSCGKSA-N 358.423 2.252 0 40 FEAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)cc1C 5486114 FLRCAFBHYJYHTE-UHFFFAOYSA-N 352.394 2.121 0 40 FEAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)NCc2ccccc2)cc1 6551428 NBBNUEMDHIMVIG-ZDUSSCGKSA-N 369.450 2.468 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)OCC[C@H]2CCOCC1CCOCC1 306131293 KAMUZAYJUSURLA-QGZVFWFLSA-N 354.491 2.372 0 40 FEAB O=C(CSc1ccc(F)c(F)c1)NN1C(=O)NC2(CCCCC2)C1=O 5565301 DBGFPLAKSRCORT-UHFFFAOYSA-N 369.393 2.343 0 40 FEAB Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cn2c1 6657910 GKQDWKACBAPQAW-UHFFFAOYSA-N 370.478 2.149 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 4727433 GIIWZOFPGXZVGV-INIZCTEOSA-N 371.462 2.233 0 40 FEAB Cn1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc21 67685444 IUXMOBJONXZDJH-AWEZNQCLSA-N 353.397 2.391 0 40 FEAB O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCCc2ccccc21 19797468 BYLUPKHAABJYRP-UHFFFAOYSA-N 370.430 2.346 0 40 FEAB Cc1cc(NC(=O)Cn2nnnc2-c2ccc(Br)cc2)no1 8297605 NNHJLBMCZDJOGO-UHFFFAOYSA-N 363.175 2.038 0 40 FEAB C[C@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@@H]2OC(=O)c3ccccc32)c1=O 17028470 KEIJMPNOOHGZSA-BDJLRTHQSA-N 364.357 2.111 0 40 FEAB CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC2CC2)s1 8428993 ZSTBWDQXVNFAKD-VIFPVBQESA-N 374.557 2.258 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)cc1 9699482 KASJJJTVOFADFY-KRWDZBQOSA-N 360.435 2.040 0 40 FEAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 72241276 ZHIOWDGBTQTQMS-HOTGVXAUSA-N 362.817 2.093 0 40 FEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H](O)C(=O)OC(C)(C)C)c1 95456547 FZCDXJYZJLRIJY-YPMHNXCESA-N 357.834 2.235 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Br)o1 95957814 FKSRNCSCSXSEBE-IUCAKERBSA-N 361.261 2.472 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1OC 9909715 RJUFYAALSCEFCL-UHFFFAOYSA-N 363.801 2.050 0 40 FEAB CCC1CCC(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 408710212 SHVYATOOVNZRPT-UHFFFAOYSA-N 362.470 2.448 0 40 FEAB O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCc2c(O)ncnc2C1 504133034 VCYOXMJVSJBVQS-UHFFFAOYSA-N 373.319 2.368 0 40 FEAB COc1ccc(OC)c(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)c1 36360977 DRXHQGHMMKWAEZ-UHFFFAOYSA-N 371.422 2.482 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)CCn3ccnc3)CC2)Nc2ccccc21 72327195 MCXNYONJTMZUQZ-UHFFFAOYSA-N 367.453 2.113 0 40 FEAB C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 44563881 WSNKDPVQSFTVBN-AGIUHOORSA-N 372.462 2.159 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1 226259788 UKCKHEPGCARPEQ-UHFFFAOYSA-N 370.453 2.290 0 40 FEAB CN(C)CC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 40073510 SQWRGPUAMPUCGT-SFHVURJKSA-N 359.514 2.172 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1 225655856 SAOGBXFRJWGGNE-UHFFFAOYSA-N 358.420 2.463 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2cnccc2-c2ccccc2)CC1 331368256 FEVAHXWCWGPWJD-UHFFFAOYSA-N 359.451 2.359 0 40 FEAB CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)O 1591453888 XSKXNLKOWLIYLH-BBRMVZONSA-N 373.453 2.014 0 40 FEAB Cc1noc(C)c1CCNC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 237602450 IMSOWECDUNNEJH-UHFFFAOYSA-N 368.393 2.456 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)Cc1ccccc1)C2 96237737 PLDKLMINASSUOY-JOCHJYFZSA-N 363.461 2.179 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccc(C)cc1 257223395 DXDSMZMVMASDJF-MJGOQNOKSA-N 354.454 2.377 0 40 FEAB O=C(NCc1ccco1)C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 253404542 RCZPORCDDWEFPJ-QGZVFWFLSA-N 370.430 2.355 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCCc1csc(-n2cccn2)n1 90703632 XDAQWQFRWJBGPY-XYOKQWHBSA-N 360.464 2.462 0 40 FEAB CC[C@H](C)[C@@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)n1cnnn1 604419327 SUQMHHWAOATFQX-XPTSAGLGSA-N 373.442 2.467 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@@H](CC(F)(F)F)C3)cc2=O)cc1 620783888 XUFIPZKTAMGGLD-ZDUSSCGKSA-N 369.343 2.267 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)CC1 630221312 XKSSDDBTORNSSR-VUYXQBRFSA-N 362.857 2.233 0 40 FEAB COc1ccc(NC(=O)c2cnnn2C2CCNCC2)c2cccnc12 662689187 RNWQFFBTPDVZCR-UHFFFAOYSA-N 352.398 2.012 0 40 FEAB C[C@H]1CC[C@H](NC(=O)NCC2C3CC4CC(C3)CC2C4)CS1(=O)=O 664551786 GLERRXYGVMBKNT-OADHPXTJSA-N 354.516 2.324 0 40 FEAB C[C@@H]1CN(Cc2ccccc2)C[C@H](c2nc(Cc3cncn3C)no2)O1 664823660 HYRQJZMPXOZQER-RHSMWYFYSA-N 353.426 2.356 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc3c(c2)nc(O)n3C2CC2)C1 665538090 DLOGRVRIHWHSCJ-MRXNPFEDSA-N 372.469 2.163 0 40 FEAB O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1nc(-c2ccc(Cl)cc2)cs1 575424369 KMNZXKXLXRQUAL-NWDGAFQWSA-N 369.855 2.159 0 40 FEAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106138 QUHPLNMANKVRNO-MSOLQXFVSA-N 355.482 2.058 0 40 FEAB O=C(C[C@H]1CN(c2ncc(F)cn2)Cc2cccn2C1)NCc1ccco1 585099224 WKJPPSMRWZPEEL-CQSZACIVSA-N 369.400 2.353 0 40 FEAB CN1C[C@H](COCC2CC2)C2(CCN(C(=O)C3CCOCC3)CC2)C1 585103511 PJBFHAMNFUANOO-GOSISDBHSA-N 350.503 2.010 0 40 FEAB Cc1ccc(CN2CCCN(C(=O)[C@@H](C)Sc3nncn3C)CC2)cc1 56407669 GFUPLJASSFPMCE-MRXNPFEDSA-N 373.526 2.339 0 40 FEAB Cc1nc(C(C)(C)C)cc(=O)n1CC(=O)N1CCN(c2ccccc2)CC1 85558552 UHRPDTQUKVBZOS-UHFFFAOYSA-N 368.481 2.198 0 40 FEAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)C1 92843683 JUMMXIKPXNDIBD-CYBMUJFWSA-N 366.405 2.141 0 40 FEAB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O 5706612 YNALRCYEYVXNKE-JKSUJKDBSA-N 363.458 2.098 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1 11317713 DHBVUWDNQDOSFN-UHFFFAOYSA-N 374.370 2.259 0 40 FEAB Cc1nccn1CC1(O)CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 12221648 OFTYECBNHVEPJA-UHFFFAOYSA-N 357.429 2.416 0 40 FEAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 13647559 MRZIKAGQYGGPIN-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB C[C@H]1CC(=O)c2c(OC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc(F)c21 15635169 JLCIYMVLRDVXBE-SDDRHHMPSA-N 371.364 2.372 0 40 FEAB CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CCN(C)C2 19708856 IRABJNGVZXKPTN-OAHLLOKOSA-N 357.502 2.402 0 40 FEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(=O)[nH]n1 33026714 KORVYILZKPZMPO-ZDUSSCGKSA-N 361.467 2.090 0 40 FEAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 10031032 HTNFTWXOJLPFSX-LLVKDONJSA-N 366.464 2.236 0 40 FEAB Nc1nc(COC(=O)c2ccc3c(c2)OCO3)nc(Nc2ccccc2)n1 5259454 SEEJFVCOCAKWHI-UHFFFAOYSA-N 365.349 2.283 0 40 FEAB COc1ccccc1NC(=O)CN1CCC[C@H](N(C)c2ncc(C)cn2)C1 1888930541 VNXXPOULFFVFAP-INIZCTEOSA-N 369.469 2.333 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)NC[C@@H]3CCCO3)C[C@H]2c2ccccc2)n1 238879411 OWMJPXJVHQSODV-YESZJQIVSA-N 356.426 2.450 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1F 4941365 HCGUSSRRCODINL-AWEZNQCLSA-N 350.390 2.265 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)COc2ccccc2)C1 2055747740 RZXXYZDIAXGGSD-FQEVSTJZSA-N 371.412 2.034 0 40 FEAB O=S(=O)(c1cccc(NCCOc2ccccc2)c1)N1CCOCC1 78628501 XRACZLOVCYDQPJ-UHFFFAOYSA-N 362.451 2.198 0 40 FEAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3C=C12 20113291 UHKHUDBVTXBLLN-YAOJWGSESA-N 362.514 2.222 0 40 FEAB biogenic COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1OC 100901849 GRVYDKKIBNQDHN-WBVHZDCISA-N 370.336 2.135 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(Cl)s1 101766022 WARLGMCDNYVJQK-AOOOYVTPSA-N 369.826 2.303 0 40 FEAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4ccccc4C3)[C@@H]2N1 32843932 DHLKEKGKCYSYGO-SOLBZPMBSA-N 359.495 2.297 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2cc(C)no2)C(C)C)cc1 32835997 CEFPBULUASYWPV-MRXNPFEDSA-N 366.439 2.338 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCO[C@H](c2ccccc2)C1 102899614 LTJYSMZLGBLMCF-KSZLIROESA-N 370.449 2.152 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)n2c(=O)oc3ccc(Cl)cc32)cc1 1582840 PQYCBNLGTCXXEV-UHFFFAOYSA-N 366.782 2.443 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 22693932 AKWGCNBYTOBCGP-CQSZACIVSA-N 365.499 2.183 0 40 FEAB CC(=O)Nc1ccc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)s1 22970663 PYELTGJANBSQBO-CQSZACIVSA-N 353.488 2.183 0 40 FEAB O=C1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCN1 8165314 PWBAEKWPHVWJQK-UHFFFAOYSA-N 365.311 2.465 0 40 FEAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 518985105 NKDCJHWSBXZOHT-WCXIOVBPSA-N 356.422 2.003 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 23717952 ROKCCWFZNBOJFT-GOSISDBHSA-N 357.366 2.084 0 40 FEAB Cc1sc2ncn(CCC(=O)N[C@H](C)c3cnn(C)c3C)c(=O)c2c1C 25002925 ULWPKBYLOKWFBH-LLVKDONJSA-N 373.482 2.384 0 40 FEAB CNC1(c2nnnn2-c2ccsc2C(=O)OC)C2CC3CC(C2)CC1C3 35170804 CYYBDATXXBLDGO-UHFFFAOYSA-N 373.482 2.381 0 40 FEAB CCOC(=O)C1=C(CN2CCC(CCc3ccccc3)CC2)NC(=O)NC1 57364675 RCDRWLUGPFVFLP-UHFFFAOYSA-N 371.481 2.461 0 40 FEAB CN(C(=O)CN1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)cc1 58213283 DKJVYKBTRNUPJL-UHFFFAOYSA-N 374.462 2.172 0 40 FEAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1O 58216699 HHHKEPACIPLEFG-UHFFFAOYSA-N 367.243 2.286 0 40 FEAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10333451 MLLLGEKNGMOEBF-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)c1 10448073 MNUBWFZSKYGWOU-UHFFFAOYSA-N 374.462 2.280 0 40 FEAB CCOC(=O)N1CCC(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 10890683 RRRIJXAVWSCUQG-ZDUSSCGKSA-N 350.415 2.200 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1F 11290118 AMWWEUIKKUHTSN-YJYMSZOUSA-N 361.417 2.251 0 40 FEAB CCOC(=O)N[C@@H](C(=O)O[C@@H](C)c1cccc(-n2cnnn2)c1)C(C)C 48324842 KCRNNTHFYYJWRT-SWLSCSKDSA-N 361.402 2.037 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)N1 29656225 JOLOPKTWZAMOHZ-UHFFFAOYSA-N 363.417 2.097 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 13000157 DVOPQDSTYAFOIZ-AWEZNQCLSA-N 366.483 2.304 0 40 FEAB CC1CCN(Cc2csc(NC(=O)CN3CCSC3=O)n2)CC1 39995554 QZXYAGPHAGUTFJ-UHFFFAOYSA-N 354.501 2.482 0 40 FEAB COc1ccc(CCNC(=O)CCC(=O)NCc2ccccc2)cc1OC 6406802 LQFSBQRWPAOANA-UHFFFAOYSA-N 370.449 2.459 0 40 FEAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 14123077 HGNLTEBPONACCK-GOSISDBHSA-N 370.434 2.471 0 40 FEAB biogenic O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC(=O)NCc1ccco1 14110435 NIOHKCNOXUCERF-UHFFFAOYSA-N 369.421 2.200 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3ncccn3)ccc21 14242658 XZVBYROGQJANOX-UHFFFAOYSA-N 363.464 2.164 0 40 FEAB COc1ccc(Cn2nnnc2SCCn2c(C)csc2=O)cc1 9762783 NNWONROFKGONBR-UHFFFAOYSA-N 363.468 2.054 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1c(C)csc1=O 14895491 YIQKQGZDKMBTOH-UHFFFAOYSA-N 361.467 2.322 0 40 FEAB Cc1nc2nccc(C(=O)NCc3cc(Br)cs3)n2n1 96011816 DEVFHLKTNNPSFL-UHFFFAOYSA-N 352.217 2.187 0 40 FEAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 7073290 IZDPOEZCOAPYOV-UHFFFAOYSA-N 365.433 2.294 0 40 FEAB Cc1cc(C(=O)OCC(=O)N2CCN(c3cccc(C)c3C)CC2)on1 7105522 IOVQUSQUKQLYMJ-UHFFFAOYSA-N 357.410 2.105 0 40 FEAB CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 7247318 MOGHEHSALPNSRQ-MRVPVSSYSA-N 351.457 2.188 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 9314725 INWAEGGDSCZBTM-CQSZACIVSA-N 370.449 2.261 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)nc1C 16469355 HSIDZEZWYRXKSN-LBPRGKRZSA-N 353.444 2.262 0 40 FEAB COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2nc(SC)[nH]c(=O)c12 8486464 YISVJKYAOMOQKL-UHFFFAOYSA-N 371.374 2.222 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 9516285 WUNPSMOEUAZTNF-UHFFFAOYSA-N 372.446 2.046 0 40 FEAB CCN1CCO[C@@H](C(=O)NCc2ccccc2CN2CCC(C)CC2)C1 72957135 UUEVMRZMYBTPJJ-HXUWFJFHSA-N 359.514 2.255 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2nccs2)C1 306144999 ZUKRSKIETYQPJJ-IBGZPJMESA-N 365.462 2.309 0 40 FEAB Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1N(C)C(=O)C1CC1 75107260 XKKBLQXANKYOJS-OAHLLOKOSA-N 353.426 2.224 0 40 FEAB Cc1ccccc1CN1C[C@H]2Cn3c(nnc3C(=O)NC(C)C)C[C@H]2C1 306139177 SRJZGILOTGNQFC-IRXDYDNUSA-N 353.470 2.029 0 40 FEAB COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)c1cccnc1 516203454 MFQFGSCXHQGXHT-QGZVFWFLSA-N 350.378 2.220 0 40 FEAB O=C(/C=C/c1ccccc1F)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268660 UYKXAMMOCOBNQL-VMPITWQZSA-N 363.366 2.115 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)C2(CO)CO)cc1 218450766 DDVMTRPHKLXDEF-SJORKVTESA-N 350.411 2.045 0 40 FEAB Cn1c(CSc2ncccn2)nnc1SCC(=O)NC1CCCC1 35313126 FOEZXXVUSNNDOW-UHFFFAOYSA-N 364.500 2.048 0 40 FEAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)C1 72389689 NKZICCAQJVFJCP-MRXNPFEDSA-N 363.421 2.001 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 79440282 MYVIGGGVAAROKN-CJNGLKHVSA-N 362.426 2.342 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 72390969 BTBXFZACNVDXKA-CVEARBPZSA-N 366.465 2.214 0 40 FEAB Cc1noc([C@@H](C)N2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)n1 188380772 KPFLRWYMSLPBFF-SNVBAGLBSA-N 369.347 2.311 0 40 FEAB Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)c3ccccc3)CCO2)ccn1 72370835 QNAZWXSAYCUBLT-KRWDZBQOSA-N 361.405 2.335 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc(F)cc2)CC1 48812196 SAPRKEQDSAZQPF-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB COc1ccc(CNC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)cc1 199419028 NXOKEDVEPVTJMH-UHFFFAOYSA-N 370.405 2.137 0 40 FEAB Cc1ncn(CCNC(=O)c2csc(-c3ccccc3)n2)c(=O)c1C 75166389 FODGEUAANTZOPT-UHFFFAOYSA-N 354.435 2.414 0 40 FEAB CCn1cc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)ccc1=O 131484951 KQEAEJKCAPRMFP-OKILXGFUSA-N 356.426 2.129 0 40 FEAB O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 96074728 AZVCVQBDGRWYIG-IBGZPJMESA-N 356.401 2.127 0 40 FEAB CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96051999 GDCUUKRFJQTSOK-YJBOKZPZSA-N 352.500 2.336 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)N4CCCCC4)nc3[C@@H]2C)no1 247899792 IGSPPHSRNANFPN-HNNXBMFYSA-N 357.458 2.311 0 40 FEAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(C)nn(C)c1N 585080947 DNATYVPFIBMFJN-UHFFFAOYSA-N 373.457 2.187 0 40 FEAB C[C@@]1(O)CCN(C(=O)c2ccc(CCN)cc2)C[C@H]1Oc1ccccc1 257335828 YMAZZXYXONKKBZ-TZIWHRDSSA-N 354.450 2.232 0 40 FEAB Cc1n[nH]cc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 257324348 WOGKLJAXOWRQRX-UHFFFAOYSA-N 364.457 2.496 0 40 FEAB C[C@@]1(O)CCN(C(=O)CC2CCOCC2)C[C@H]1Oc1cccc(F)c1 257222571 DTUNYINOYUXQEW-IEBWSBKVSA-N 351.418 2.373 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257219591 DHILPYLQIGGKFE-QGZVFWFLSA-N 367.409 2.301 0 40 FEAB O=C(O)c1nn(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2)CC1 256049224 YYFUONARUFTBIQ-UHFFFAOYSA-N 367.384 2.431 0 40 FEAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CC1=O 653196851 BRYCFBHXSJYNAQ-OCQZMCQHSA-N 355.482 2.184 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCOc3cc(O)ccc3C1)C2 672242888 RSAAJPNTSZZEPV-OAHLLOKOSA-N 355.390 2.373 0 40 FEAB CCN1CC2(CCN(Cc3nccn3CC(F)F)CC2)[C@H]2COC[C@H]21 1615551802 MVBXMSNVTDMDGV-LSDHHAIUSA-N 354.445 2.081 0 40 FEAB CN(C)c1nccc(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)n1 607145886 ZMMKGTYLQHKVKB-MRXNPFEDSA-N 361.877 2.052 0 40 FEAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCc1ccc(C(F)(F)F)cc1 585279602 DLWISKPATPAMRY-INIZCTEOSA-N 358.360 2.085 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CCN1Cc1ccccc1 58192980 WKZGLISBVQTOGS-HNNXBMFYSA-N 366.389 2.044 0 40 FEAB CCCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 41096456 RJGWMGSBKJNBSQ-UHFFFAOYSA-N 354.472 2.108 0 40 FEAB CC(=O)Nc1nn(S(=O)(=O)c2cccc3cccnc23)c(=S)s1 5613373 BXUDRFQGBAHUTQ-UHFFFAOYSA-N 366.449 2.418 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C 11328725 AUPPNLGSWMALBV-UHFFFAOYSA-N 353.382 2.345 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N4CCCC[C@@H]4C)nc3c2c1C 12144877 GPTGTMGEWRDGDA-JTQLQIEISA-N 373.482 2.432 0 40 FEAB COc1cccc([C@@H](NC(=O)c2cccnc2)c2nccn2C)c1OC 12221712 QINFFURQGYADFM-MRXNPFEDSA-N 352.394 2.352 0 40 FEAB O=C(COc1ccc(F)cc1F)N1CCC(c2n[nH]c3nccnc23)CC1 12228506 ODQGYYDNSMFSGF-UHFFFAOYSA-N 373.363 2.416 0 40 FEAB Cc1ccc(CN2CCC(O)(Cn3nc(-c4ccco4)ccc3=O)CC2)o1 19216566 HATRYIKKHXSADR-UHFFFAOYSA-N 369.421 2.432 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CC(=O)NC(C)(C)C)CC1(CCN(C)CC1)O2 19218547 SIQFDURTODSNAM-UHFFFAOYSA-N 373.497 2.209 0 40 FEAB CO[C@H]1CCC[C@H](C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)C1 19592606 IFVZPXZNJUMPJC-RDJZCZTQSA-N 359.470 2.489 0 40 FEAB CC(=O)N1CCC(N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CC1 1888834016 LCTJSKKLGZZZIH-UHFFFAOYSA-N 372.391 2.350 0 40 FEAB CC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)C1 1614931158 UXWGOPUQGYPRPO-YMPMHWPESA-N 357.498 2.425 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 1565541800 FCKQDOQPYWOIJG-WIYYLYMNSA-N 368.408 2.293 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3cc[nH]n3)Cc3cccnc32)cs1 1565545710 LKNPROMWTPHOMP-UHFFFAOYSA-N 354.439 2.232 0 40 FEAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1 4585996 UVDLXQBYOYIRQH-UHFFFAOYSA-N 361.452 2.460 0 40 FEAB Cc1cccc(Cn2ccn(-c3ccc4c(c3)OCCO4)c(=O)c2=O)c1 4569880 FFWPXVMYHPJRJD-UHFFFAOYSA-N 350.374 2.127 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1COC2(CCCCC2)O1 5350953 ZKWBQRZKGRMDKW-INIZCTEOSA-N 350.459 2.185 0 40 FEAB CC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Br)CC1 40038930 DUQIOCVZBKPUKY-UHFFFAOYSA-N 372.282 2.230 0 40 FEAB COCc1cccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)c1 40114036 BDADORKKLMVLMK-UHFFFAOYSA-N 351.406 2.168 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40153931 ICGSJXGDDHUZRM-MLGOLLRUSA-N 371.393 2.154 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(F)c(Cl)c1 30583916 MIMFVBLEFPJLFB-STMXVASLSA-N 374.865 2.423 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1N1CCCC1=O 30521937 WITASJJVYKWBGG-UONOGXRCSA-N 358.394 2.428 0 40 FEAB COc1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)cc1OC 30986192 WZJWUTMTDQGHQX-UHFFFAOYSA-N 358.394 2.474 0 40 FEAB CC(=O)N1CCN(CCNc2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 52129248 GBZRAGFZZJYEBL-ZDUSSCGKSA-N 373.526 2.392 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)C1 32636238 UTRGKGPWIRBVAW-VTJXTGGHSA-N 369.465 2.275 0 40 FEAB COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-n3ccnc3)nc2)n1 52778954 KPLJNTALOKEDHY-UHFFFAOYSA-N 361.365 2.313 0 40 FEAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 4351927 DEDUUBNZDNLGEE-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)C1CC1 4858816 BJTOHTFXXCZTFT-MRXNPFEDSA-N 371.466 2.338 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4888604 MFLSMFDTLJREKN-UHFFFAOYSA-N 363.527 2.490 0 40 FEAB CCn1cc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)ccc1=O 47181554 CGNVXFDDDCXGKN-HNNXBMFYSA-N 357.435 2.022 0 40 FEAB Cc1ccsc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 42671028 YWWAWYJPDJSPJX-MRXNPFEDSA-N 372.446 2.181 0 40 FEAB COCCOCCCNC(=O)c1ccc(Cl)cc1N1CCCC1=O 47630848 YMOYLXUETWOLEB-UHFFFAOYSA-N 354.834 2.250 0 40 FEAB Cc1ccccc1[C@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 55781124 DQWQWLVNMFOAOI-GOSISDBHSA-N 363.417 2.362 0 40 FEAB CCOC(=O)c1ccc(N2CCN(Cc3nc(C(C)(C)C)no3)CC2)nc1 26144597 UNQVEDKQYQRURS-UHFFFAOYSA-N 373.457 2.261 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 101948570 ADXMEDXXZXKINF-OGNFBWPZSA-N 357.406 2.181 0 40 FEAB Cc1ccccc1NC(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1 28557364 MIOMVKOCXRCRNO-UHFFFAOYSA-N 365.441 2.334 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C 100094358 VYDWXIRVRDOPGR-XJKCOSOUSA-N 366.483 2.300 0 40 FEAB CC(C)Cc1nc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)n[nH]1 72325552 WTZWJWXQHSZCSS-CYBMUJFWSA-N 370.413 2.122 0 40 FEAB biogenic CN(NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 48120259 FGOCBRNNIGGJTL-MRXNPFEDSA-N 373.478 2.255 0 40 FEAB Cn1cc(CN2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 107243509 ILWYDAACRFFTRI-OXJNMPFZSA-N 374.460 2.279 0 40 FEAB CC(C)[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 48263811 AKTNBUDUHHXXHI-KRWDZBQOSA-N 353.426 2.034 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1 3389205 ZNRNEQAXQWTXIN-UHFFFAOYSA-N 366.424 2.058 0 40 FEAB CCOC(=O)C1=C(CN2CCCc3cccc(F)c32)NC(=O)N[C@@H]1CC 22846263 NSXIDCKMGAFOLL-CQSZACIVSA-N 361.417 2.487 0 40 FEAB CC(C)n1ncc2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cnc21 12778305 GWQRIXJZFSZONY-UHFFFAOYSA-N 362.393 2.430 0 40 FEAB C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 12950630 IAHGMNHSVVGEHI-VXGBXAGGSA-N 369.259 2.205 0 40 FEAB COc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1OC 72333984 PTKBEPICRQLGFI-UHFFFAOYSA-N 365.332 2.455 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCC(=O)c2ccc(OCC)cc2)CC1 6784690 WCMJESRMNFMIKK-UHFFFAOYSA-N 362.426 2.349 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c(C)c1 7305916 RJBMACDGLCQGQN-UHFFFAOYSA-N 365.455 2.476 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@H]2C)cc1 15797376 VRQVNWDRKGLZGI-PBHICJAKSA-N 368.499 2.449 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)OCCc1cccs1 67801944 FTKJEVWBBQTBMR-LJQANCHMSA-N 370.430 2.227 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cc2ccccc2o1 7478963 YZAXIHCHIBAXKE-WYRIXSBYSA-N 355.394 2.331 0 40 FEAB O=C(Nc1nccs1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858294 NXYUVLDEICTLDN-UHFFFAOYSA-N 371.827 2.115 0 40 FEAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1cccc(Cl)c1Cl 84339070 LMFOLRPAKQYHRY-JTQLQIEISA-N 366.266 2.313 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 7817928 RTGCJHTUHAJWDF-YOEHRIQHSA-N 369.421 2.145 0 40 FEAB CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 21701925 JLPXSDHGXOKWFU-CZKNSSDISA-N 361.486 2.284 0 40 FEAB CC(C)(C)c1ccc(OCCNC(=O)c2cnc3n(c2=O)CCS3)cc1 8368948 PMDAYLYXFKAVEG-UHFFFAOYSA-N 373.478 2.455 0 40 FEAB COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1N1CCCC1=O 71798134 FZQLMLSZQZVWKG-UONOGXRCSA-N 358.394 2.428 0 40 FEAB O=C(O)C[C@H](NC(=O)c1cccc(I)c1)C1CC1 95970304 UMFNWWNVBDBAKE-NSHDSACASA-N 359.163 2.274 0 40 FEAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9904856 DTZJIKOLVWUGNB-VQHVLOKHSA-N 367.453 2.388 0 40 FEAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)c1C 89585596 KLLDWWFUSZZXQS-UHFFFAOYSA-N 374.418 2.173 0 40 FEAB Cc1c(NC(=O)N2CCC[C@H](C)[C@@H]2CO)c(=O)n(-c2ccccc2)n1C 89852380 QDQHBUOGIVXGJM-BBRMVZONSA-N 358.442 2.109 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 75488116 DBNIMGFUZPKXFN-ZYHUDNBSSA-N 363.483 2.217 0 40 FEAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 20768410 YIXOOQJSSPMGEU-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 408610742 VMTINBHHIYIIAI-NSHDSACASA-N 352.387 2.140 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 24452632 HVKHPFVUSFPABF-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 30499736 ICBIZDRMAHDYGZ-KRWDZBQOSA-N 362.451 2.054 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1O)N[C@@H]1CCCC[C@H]1C(F)(F)F 23966870 NYHSPEWFPSNPGS-VXGBXAGGSA-N 361.316 2.492 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1Cl 408586462 AHHZPZJPEWQDRW-NSHDSACASA-N 374.890 2.464 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccncc2)N=C1O 36597116 LVJCLIPMMAFJCI-WMLDXEAASA-N 366.421 2.364 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72360400 BCXZKHPHVLMUMX-MRXNPFEDSA-N 368.441 2.409 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NC[C@H](c1ccco1)N1CCOCC1 79492213 WULNLWKGDGSLPF-QGZVFWFLSA-N 368.437 2.278 0 40 FEAB Cc1ccnc(-c2noc(CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)n2)c1 569795870 YGFBQASFBOGHKC-NZMVCBSFSA-N 352.394 2.361 0 40 FEAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCc1ccc(O)cc1 49548419 LRIHGEFTTVYJRU-UHFFFAOYSA-N 358.442 2.159 0 40 FEAB CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H](CO)Cc1ccccc1 575443531 NGFXLGVZJUVJAQ-QGZVFWFLSA-N 365.433 2.320 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222746296 GRPOIEDVGOIFOH-AWEZNQCLSA-N 354.406 2.469 0 40 FEAB Cc1nc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cs1 96229148 YMKRORFXJNJWDK-GOSISDBHSA-N 359.499 2.361 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)ccn1 583071882 ACHQVFHBQQISSS-UHFFFAOYSA-N 371.485 2.059 0 40 FEAB Cc1cccc(COC[C@@H]2CN(C(=O)c3ocnc3C)Cc3cncn32)n1 248073479 ZDGMYZBHUFVENH-KRWDZBQOSA-N 367.409 2.297 0 40 FEAB Cc1cc(N2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)n[nH]1 244969162 HBUILOWLNCGECY-UHFFFAOYSA-N 350.426 2.303 0 40 FEAB CO[C@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2 257305596 SQSMBPMUFGUTNV-HKUYNNGSSA-N 362.495 2.395 0 40 FEAB O=C(N[C@H]1C[C@@H](CO)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 633839002 OMDBBYOSDMHWBH-WOVMCDHWSA-N 359.447 2.161 0 40 FEAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cc(Cl)c(C)cc1Cl 666422899 SIFLYICRWFIUJO-NEPJUHHUSA-N 367.254 2.235 0 40 FEAB COCCn1cc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 86990127 KYCYNIPNNQCQPB-GFCCVEGCSA-N 365.384 2.208 0 40 FEAB CCc1nccn1[C@@H](C)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)C[C@@H]21 1775986898 QILKGFGTCWHBTQ-SNCRXCSTSA-N 370.497 2.016 0 40 FEAB O=C(NCCN1CCOCC1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 69633574 DGUYMNPRYJPLPL-MRXNPFEDSA-N 369.412 2.297 0 40 FEAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 5329185 HDAWKNDWSYNKTD-UHFFFAOYSA-N 374.418 2.385 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2)cc1 11354461 QJTXGGFPYAYLOS-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB CC(C)(C)N1C[C@H](C(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)CC1=O 12219844 MPZOHYCBCWFFOK-UONOGXRCSA-N 369.469 2.311 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1 15009425 LBZYIEPBDIPSSO-UHFFFAOYSA-N 354.362 2.227 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1nc(C)n(-n2cccc2)c1=S 16807027 HGDXTLGZZMXPAD-UHFFFAOYSA-N 371.422 2.261 0 40 FEAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 19349562 BGIIOBACCDHUQV-UHFFFAOYSA-N 357.391 2.080 0 40 FEAB COCc1cc(C)nc(N)c1-c1nc(N)c2c(COC)cc(C)nc2n1 19418386 HLQYLLGUSYGWAL-UHFFFAOYSA-N 354.414 2.161 0 40 FEAB COc1cccc(CN2CCN(Cc3cnc(N(C)C)nc3)[C@@H](C)C2)c1 19575664 HOINIGCXRYCULX-INIZCTEOSA-N 355.486 2.258 0 40 FEAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 19936657 HFNKPXWRHQAJJA-LLVKDONJSA-N 362.407 2.180 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)NCCc2cccc(F)c2)cc1 10101521 MWENXGGOCYYYFS-UHFFFAOYSA-N 364.442 2.025 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)CC1 3600487 RNCGTILPJCANTK-SFHVURJKSA-N 363.845 2.366 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 5565127 JXYWZEVDAAYTJI-UHFFFAOYSA-N 358.391 2.343 0 40 FEAB O=C(c1cncc(F)c1)N1CCC(COc2ccc3nccn3n2)CC1 1888879159 AHOLYJYZOOABKW-UHFFFAOYSA-N 355.373 2.195 0 40 FEAB Cc1noc(C)c1CN1CCN(c2nccc(-c3ccccn3)n2)CC1 2086968391 ZBGALQSNSLVRSK-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB Cc1c(CN[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cnn1C 2055746026 BKBPRWDJRFPULU-OAHLLOKOSA-N 357.458 2.036 0 40 FEAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)o1 4165760 PCVBNBICSTUXDS-UHFFFAOYSA-N 350.334 2.010 0 40 FEAB O=c1c2ccccc2c(O)nn1CN1CCN(c2ccccc2F)CC1 20518376 UFUIWWBLEGGSEL-UHFFFAOYSA-N 354.385 2.021 0 40 FEAB CN(C)c1ccc(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 20729230 RQZTWCCBTDBTBI-UHFFFAOYSA-N 366.377 2.461 0 40 FEAB CCn1ccnc1SCc1nc(CC(=O)NCc2ccccc2)no1 32331200 UKHNEMFZIIWVQR-UHFFFAOYSA-N 357.439 2.437 0 40 FEAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c(C)s1 32551846 IUJQHMHDJSXMES-UHFFFAOYSA-N 351.497 2.266 0 40 FEAB O=C1CCc2cc(N[C@@H]3CC(=O)N(CCc4ccccc4)C3=O)ccc2N1 102172915 FKSXZNVJOLGRJP-GOSISDBHSA-N 363.417 2.353 0 40 FEAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCc1nc(N)c2ccccc2n1 52257985 LXSUJAACYSSDJY-OAHLLOKOSA-N 356.426 2.292 0 40 FEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Br)cc1 703571 BYNMBKNIGYBWCZ-LBPRGKRZSA-N 364.203 2.288 0 40 FEAB CC(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCC1 1368290 DNZAUZBFSVIXFR-UHFFFAOYSA-N 363.483 2.455 0 40 FEAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)c3ccc4c(c3)CCC4)nn12 21902365 RGRCZGKPLFEJMT-LBPRGKRZSA-N 350.378 2.350 0 40 FEAB CCCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 6825744 BOWJOGVHOLOOSD-UHFFFAOYSA-N 367.405 2.278 0 40 FEAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)c1 7940140 QICRPEYAMKMGHU-CQSZACIVSA-N 368.389 2.230 0 40 FEAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(C)(=O)=O)C1 8297476 HEFUHOCGDWFDEZ-LSDHHAIUSA-N 358.463 2.202 0 40 FEAB biogenic,in-vitro O=C1C[C@H](C(=O)NCc2ccc(-n3cccn3)nc2)c2ccc(F)cc2N1 12522121 VZLISCVWGSDHRD-HNNXBMFYSA-N 365.368 2.149 0 40 FEAB Cc1nc2ccccc2n1CC(=O)N1CCN(C(=O)c2cccs2)CC1 12548367 USOFOZZFOXGOLK-UHFFFAOYSA-N 368.462 2.391 0 40 FEAB CC(C)[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@H]1CCS(=O)(=O)C1 42902026 SDJROKQPLNVUCG-SMDDNHRTSA-N 368.480 2.248 0 40 FEAB NC(=O)CSCC(=O)NC1(c2cccc(Br)c2)CCC1 72041161 WJGARRKEGRMWJO-UHFFFAOYSA-N 357.273 2.163 0 40 FEAB COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(N)(=O)=O 83962456 OTNMLDOCQZDCOF-UHFFFAOYSA-N 352.437 2.145 0 40 FEAB C[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 106796016 DOMBBNVORIYUJO-KRTXAFLBSA-N 364.204 2.089 0 40 FEAB CO[C@@H]1CCCC[C@H]1OC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 107334087 XCUHNVQLHJUIKH-QINHECLXSA-N 374.437 2.263 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1 35349290 QBTBNXFJSXRGLT-KSSFIOAISA-N 367.449 2.161 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 26004057 IKCGUWIWYJXVOY-BQYQJAHWSA-N 368.437 2.088 0 40 FEAB Cc1csc(N2CCCN(CC(=O)NC(=O)Nc3ccccc3)CC2)n1 58162835 QKWKAGZIYGNXTI-UHFFFAOYSA-N 373.482 2.312 0 40 FEAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3339985 LMGMYSWAVIKRDT-INIZCTEOSA-N 370.457 2.303 0 40 FEAB CC(C)(C)n1c(NC(=O)CCC(=O)N2CCOCC2)nc2ccccc21 58268149 UZDDRDSWDDPIGV-UHFFFAOYSA-N 358.442 2.369 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1C(=O)O 58496636 HPVZXTKRAYXGBH-UHFFFAOYSA-N 351.355 2.284 0 40 FEAB COc1ccc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cn1 11007983 KCUVPHVUMBHZKV-UHFFFAOYSA-N 364.405 2.392 0 40 FEAB CCOC(=O)Nc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11547202 VBBDURYIJBADEI-UHFFFAOYSA-N 353.382 2.270 0 40 FEAB COc1cccc(-c2nnn(CN(C)Cc3cccc(OC)c3OC)n2)c1 8882772 SHGYJBICEDAYCH-UHFFFAOYSA-N 369.425 2.455 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)no1 45914935 LAYTVFSHTDLWOJ-UHFFFAOYSA-N 354.332 2.355 0 40 FEAB COc1cc2nc(CN3CCOc4ccccc43)[nH]c(=O)c2cc1OC 48301348 GHECLJRZDYOPBL-UHFFFAOYSA-N 353.378 2.339 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)C1CCCCC1 3596830 IZFDZPOKVWUZKM-KRWDZBQOSA-N 357.454 2.331 0 40 FEAB Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)c1C 12907507 RMILCYWAMMXCSE-UHFFFAOYSA-N 364.405 2.251 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 12981137 CFMRUHANNIQIEY-MRVPVSSYSA-N 367.228 2.292 0 40 FEAB Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)O)S3)n1 13013823 LCADZEIPAVWYOX-ZDUSSCGKSA-N 368.422 2.282 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 13016039 VDGPWBDORISARV-CQSZACIVSA-N 371.462 2.301 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326740 QGBCMPWXEDARBG-ZDUSSCGKSA-N 368.393 2.465 0 40 FEAB CC(=O)NCCCOC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 63935525 LFSMTLKOTSNTBU-MRXNPFEDSA-N 354.406 2.262 0 40 FEAB COCCN1CNc2c(c(=O)[nH]c(=S)n2-c2cccc(Cl)c2)C1 19939139 XVYNNOXEADSAPK-UHFFFAOYSA-N 352.847 2.380 0 40 FEAB O=C(NCC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 13690915 FHXNDJZBSCNCGB-UHFFFAOYSA-N 371.481 2.104 0 40 FEAB Cc1nc(-c2cccc(NC(=O)CN3CCCC[C@@H]3C(N)=O)c2)cs1 14157612 HKDLIBXTINRSHK-MRXNPFEDSA-N 358.467 2.397 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O 4514055 LDEBQQRVCGORJR-YJYMSZOUSA-N 361.417 2.384 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 6551922 MBNLABVPFDRKIA-LBPRGKRZSA-N 369.446 2.241 0 40 FEAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 4731861 CNYCGTIKDGYFFL-SECBINFHSA-N 366.830 2.330 0 40 FEAB O=C(NC1CCCCC1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 9217331 JRTXPIWKRVGOKB-MRXNPFEDSA-N 351.472 2.113 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 66948608 HXJPAUZEQJGWGK-MOPGFXCFSA-N 357.498 2.020 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)NCC(=O)NC(C)C)cc1C 7153155 GAKCVYWOFHPPMU-UHFFFAOYSA-N 360.483 2.222 0 40 FEAB O=C(COC(=O)c1ccc(Cl)cc1O)Nc1ccc2[nH]c(=O)[nH]c2c1 7737692 HSFMVRSWWGOPKV-UHFFFAOYSA-N 361.741 2.011 0 40 FEAB COc1ccc(N(CCC(N)=O)S(=O)(=O)c2ccc(C)c(C)c2)cc1 7814158 QJXIZAJYXXLKKR-UHFFFAOYSA-N 362.451 2.383 0 40 FEAB Cc1cc(C)c(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)c1 7981297 VNVYMJKGISFWCY-UHFFFAOYSA-N 354.362 2.379 0 40 FEAB O=C(C[C@H]1C=CCC1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 7938116 KPGXOBOKELVFOF-HNNXBMFYSA-N 365.451 2.107 0 40 FEAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@@H]3C2)cc1 22585570 FBUWYWUKHYXXSO-SJLPKXTDSA-N 370.501 2.306 0 40 FEAB O=c1ccc2cc(S(=O)(=O)N3CCN=C3c3ccccc3)ccc2o1 16780259 CPXUVBDSMJULFY-UHFFFAOYSA-N 354.387 2.244 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 72403949 CEUITYAGDGNCCG-AWEZNQCLSA-N 364.877 2.183 0 40 FEAB CC(C)NC(=O)CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 72401572 RXEQQKJEKUURGJ-UHFFFAOYSA-N 373.284 2.350 0 40 FEAB O=C(O)C[C@@H](NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1 95463872 CPKBOIVBLGMUNF-GFCCVEGCSA-N 355.272 2.321 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95947796 AJHLTGUGDQMUDV-YUELXQCFSA-N 370.405 2.126 0 40 FEAB COC(=O)CCN1CCN(C(=O)c2csc(-c3ccoc3)n2)C[C@H]1C 95992835 AKGASLTZIWSEHR-GFCCVEGCSA-N 363.439 2.113 0 40 FEAB Cc1cc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)n(C)n1 174562127 LXADKLGENMPNCK-UHFFFAOYSA-N 357.443 2.087 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nnsc2Cl)C1 548010072 GANUHUVBPKWVGY-CYBMUJFWSA-N 357.892 2.194 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306140038 UHZNTWWLIZXWRK-GJZGRUSLSA-N 373.888 2.374 0 40 FEAB CN(Cc1nnc2n1CCCCC2)C(=O)[C@@H](c1ccccc1)n1cccn1 522798472 MYOJFPDSJXHECQ-LJQANCHMSA-N 364.453 2.449 0 40 FEAB Cc1cc2c(c(=O)n1C)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 524732008 SULHUFULZGOLJY-CQSZACIVSA-N 362.385 2.006 0 40 FEAB biogenic Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1 72375976 PCNVCDUYKUJHSV-AWEZNQCLSA-N 361.471 2.371 0 40 FEAB CN1CCN(c2ccc(CNC(=O)N3CCc4c(F)cccc43)cn2)CC1 184422773 XZCHIUMUCBDCAM-UHFFFAOYSA-N 369.444 2.245 0 40 FEAB CCCN1CCCN(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)CC1=O 561165993 LBDMEDPWFOCKIC-MRXNPFEDSA-N 358.442 2.114 0 40 FEAB CCCNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225208681 XYWDYBFIKPKTAQ-UHFFFAOYSA-N 357.501 2.176 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)cn1C 225641832 VMHQSWHWKXYSSZ-UHFFFAOYSA-N 371.466 2.479 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)C)C2)cc1 226048614 VDZGSWVSZOIPIV-CQSZACIVSA-N 368.499 2.258 0 40 FEAB Cc1cccc(OCc2cn(CC(=O)NCc3csc(C)n3)nn2)c1 227161191 ZGQOBEYHYZRLBC-UHFFFAOYSA-N 357.439 2.247 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 80611196 QUXVCOYCRHZBKJ-QGZVFWFLSA-N 369.469 2.052 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 238760647 JMIAZDVHNCCPDM-YCPLKFPCSA-N 368.433 2.063 0 40 FEAB Cc1cc(C(=O)N2CCN(Cc3cccc4c3OCCCO4)[C@H](C)C2)n[nH]1 582767642 MVEMVJCRRXOJDP-OAHLLOKOSA-N 370.453 2.226 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@H](CNC(=O)c3cccn3C)CO2)C1 248128516 MMACAZGKZXIMAP-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cc1 247919915 XHVFBHSSGWWOQO-VQTJNVASSA-N 357.454 2.342 0 40 FEAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253600956 FEDJAGCXUGAFNR-AWEZNQCLSA-N 361.471 2.399 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)s1 24032302 UPVMSWUWFCCRBX-UHFFFAOYSA-N 373.478 2.469 0 40 FEAB CCOc1ccc([C@H]2[C@H](C(=O)N(C)CCOC)CCC(=O)N2CC)cc1 257304263 SKUJLUYJFHCPEL-MJGOQNOKSA-N 362.470 2.490 0 40 FEAB COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 631641352 KSKCYFDXXQSIRM-LBPRGKRZSA-N 356.426 2.428 0 40 FEAB CCO[C@H](C)C(=O)NCc1ccc2c(c1)CN(C(=O)c1cscn1)C2 1775994873 MVBYUJOTOROZSM-GFCCVEGCSA-N 359.451 2.340 0 40 FEAB O=C(NCCCn1ncccc1=O)c1cccc(Oc2ccccn2)c1 96122681 ZRLNJMRFEDPRSK-UHFFFAOYSA-N 350.378 2.251 0 40 FEAB O=C(c1cncc(F)c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830302 KBRJHRAYTKHCNF-UHFFFAOYSA-N 362.426 2.440 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2cccnc2)c1 585107707 DLEDCDBZMIUMHV-VQTJNVASSA-N 351.450 2.424 0 40 FEAB Cc1cncc(CN2CCC[C@]3(C[C@H](NC(=O)OCC(C)C)CO3)C2)n1 585102412 JTUVPIKGCNSIGP-LPHOPBHVSA-N 362.474 2.291 0 40 FEAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCc1ccc(Cl)cc1 36226747 ZGMHQZHQUUGUIF-UHFFFAOYSA-N 359.857 2.484 0 40 FEAB O=C(Nc1ccccc1F)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188834 ZLIXRQXNDWTTLW-LLVKDONJSA-N 363.414 2.123 0 40 FEAB Cc1cc(=O)oc2ccn(CCNC(=O)c3cc4ccccc4[nH]3)c(=O)c12 1547208966 ZMEFMVQWVHNLLC-UHFFFAOYSA-N 363.373 2.174 0 40 FEAB biogenic O=C(Cc1cccnc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160642 SCOUGPDEMREWFH-NRFANRHFSA-N 365.433 2.049 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(OC(F)F)cc1 5539102 OIHHZUNEWSIQKO-UHFFFAOYSA-N 370.352 2.172 0 40 FEAB COc1ccc(C2(CN3CCC(NC(=O)c4cc[nH]n4)CC3)CC2)cc1 12087751 NIXMRARWNQMUAU-UHFFFAOYSA-N 354.454 2.344 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1C(=O)c1ccc(F)cc1 12182568 XCLCRQKAWMZHKN-INIZCTEOSA-N 368.364 2.251 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 14571578 VXDRUOWIKZYWKA-QGZVFWFLSA-N 357.362 2.285 0 40 FEAB CC1CCN([C@H](C)CNC(=O)[C@@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)CC1 19496771 BFTNPJQMTMGDSF-BRWVUGGUSA-N 373.497 2.426 0 40 FEAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCCN4C)n3CC2)s1 19706451 UVCYXLPOKKCJJE-AWEZNQCLSA-N 374.514 2.207 0 40 FEAB Cc1nc([C@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)N(C)C 19754199 ZBNYPRSISPOYGY-MRXNPFEDSA-N 353.426 2.249 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1 19819969 SJKHXYALHQTFSU-ZDUSSCGKSA-N 366.425 2.032 0 40 FEAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 8371635 AUEUZMMXOPNLJP-BUYRESAOSA-N 360.435 2.327 0 40 FEAB CN(C)c1cccc(C(=O)N2CC(Cn3cc(Br)cn3)C2)c1 1889148751 VQYLKNQOVDYWCK-UHFFFAOYSA-N 363.259 2.484 0 40 FEAB COc1cnccc1C(=O)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565551408 PVUKFTPIUNIMST-UHFFFAOYSA-N 366.421 2.145 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4cc[nH]c4)C[C@H]32)CC1 1565545858 MVQNERJTCLATHX-WBVHZDCISA-N 351.454 2.453 0 40 FEAB O=C(N1CCO[C@]2(C1)C(=O)N(CC1CC1)C[C@H]2c1ccccc1)C1(F)CC1 1565546397 ADVHLRAORKFALW-UWJYYQICSA-N 372.440 2.122 0 40 FEAB CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 4113639 AIWLCVGYQQMTIQ-HNNXBMFYSA-N 364.398 2.294 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F 4941364 HCGUSSRRCODINL-CQSZACIVSA-N 350.390 2.265 0 40 FEAB COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC 5193415 XRDQNKXKLABLJU-OAHLLOKOSA-N 354.406 2.168 0 40 FEAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2F)CCO1)N1CCCCC1 2086854485 HEMBLFRJNDNBJZ-CYBMUJFWSA-N 361.339 2.457 0 40 FEAB O=S(=O)(NCCn1ccnc1-c1cnccn1)c1ccc(Cl)s1 575610757 XZNMRYPQQSSVCT-UHFFFAOYSA-N 369.859 2.034 0 40 FEAB COC(=O)c1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)OC 5303452 LDPLLYGJCSMNAC-MRXNPFEDSA-N 356.378 2.379 0 40 FEAB biogenic O=C(CCc1cnn(-c2ccccc2)c1)NCCC(=O)Nc1ccccn1 40105344 MZEWNTHLRBTMBM-UHFFFAOYSA-N 363.421 2.345 0 40 FEAB O=C(NCCc1c[nH]cn1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 31811827 DKNHVSSHBBYBIU-UHFFFAOYSA-N 366.421 2.311 0 40 FEAB COC(=O)c1cc(CNC(=O)NCc2ccccc2OC)ccc1OC 32862424 BJRBEEAEAHMAMW-UHFFFAOYSA-N 358.394 2.490 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)cc1 1289875 AJRXQVUZLAUVIF-KRWDZBQOSA-N 366.417 2.208 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 1941403 PZZWSVWFLPMMDB-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(OC)c(N)c2)c1 78999579 PFFGZAXYDRMMKW-LLVKDONJSA-N 374.393 2.479 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)Nc3nnc4cc(C)ccn34)CC2=O)cc1 79071559 UJWNYAYSQKUKFV-MRXNPFEDSA-N 363.421 2.333 0 40 FEAB CCn1nc(C)c(CN(C)C(=O)Cn2ncc(Br)c2C)c1C 2776960 KOUNGFSPBAOFCR-UHFFFAOYSA-N 368.279 2.446 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1=O 33470993 RZAFOQFXSPNGGS-QEEYODRMSA-N 357.454 2.348 0 40 FEAB CCCOC(=O)c1ccc(OC[C@@H](O)Cn2c[n+](C)c3ccccc32)cc1 4535238 OFSTYKHJXMYLRY-KRWDZBQOSA-N 369.441 2.473 0 40 FEAB CCCCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 6818295 SBBXKGWJQYBJLE-UHFFFAOYSA-N 354.457 2.492 0 40 FEAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2cccs2)NC(=O)N3)cc1 12346880 CPXSIFALEQEFSB-KRWDZBQOSA-N 369.446 2.450 0 40 FEAB CN(Cc1cccc(F)c1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 23760979 CSGCHWDYVHPUPP-UHFFFAOYSA-N 356.353 2.216 0 40 FEAB CC(C)c1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(F)cc1 24801440 DSHGPXFWMMVHGN-ZDUSSCGKSA-N 365.430 2.052 0 40 FEAB O=C(O)CC1(CNC(=O)Cn2nc(-c3ccco3)ccc2=O)CCCCC1 61720825 PKLRNZFRPVASLT-UHFFFAOYSA-N 373.409 2.045 0 40 FEAB Cc1noc(COC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)n1 25445761 AAKYLDUJXFODPS-SECBINFHSA-N 353.375 2.321 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccsc1 25814422 ORFJTBWXESYCOH-INIZCTEOSA-N 360.483 2.012 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(=Cc2cccc(F)c2)CC1 56779989 KWHUHWYBHAJQEQ-INIZCTEOSA-N 352.431 2.202 0 40 FEAB CNc1cc(N2CCC[C@H]2CNCc2c[nH]nc2-c2cccnc2)ncn1 109069928 KXPQSJNBDVMQDZ-INIZCTEOSA-N 364.457 2.062 0 40 FEAB CN(C)C(=O)CN(CC(=O)Nc1cccc(Cl)c1)CC(F)(F)F 58065220 ATERKUOFXMXIRT-UHFFFAOYSA-N 351.756 2.231 0 40 FEAB O=C(CCn1cncn1)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209842 XPUNDZYTTNKFJT-UHFFFAOYSA-N 354.370 2.222 0 40 FEAB Cn1cc(-c2nc(C(=O)NCc3ccnc(-n4cccn4)c3)cs2)cn1 48234841 NBQAGZWCIGXHJQ-UHFFFAOYSA-N 365.422 2.054 0 40 FEAB COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1 8884337 FPZVVNNZSRHIQH-KRWDZBQOSA-N 354.406 2.227 0 40 FEAB O=C(O)[C@H]1CS[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 64219248 BEQBUZLTZXPWID-SJORKVTESA-N 355.415 2.458 0 40 FEAB COc1ccc(OC)c(-c2csc(NC(=O)c3nccnc3N)n2)c1 36395431 XIDKRAOZAJWSBQ-UHFFFAOYSA-N 357.395 2.452 0 40 FEAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCSCC2)c2ccc(F)cc21 36358268 ICPYABLFROVPEI-INIZCTEOSA-N 366.414 2.430 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1 2352042 NQEWZARWAOSWAK-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 306143366 YAGGRHUBBNYAIF-SFHVURJKSA-N 373.497 2.482 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2cccs2)c1 13389799 KZVYUHCJERMSTC-GFCCVEGCSA-N 353.421 2.097 0 40 FEAB O=c1c2ccccc2nnn1CSc1nncn1-c1ccccc1F 6129475 CYWHRVGVILTPHB-UHFFFAOYSA-N 354.370 2.261 0 40 FEAB Nc1nc(N)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 14160608 SDSGHLRVXMZCAV-UHFFFAOYSA-N 369.332 2.397 0 40 FEAB Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCCCO)cc2oc1=O 6658911 FDRROBVEOCFJRE-LLVKDONJSA-N 353.802 2.329 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 9156269 BRMREAZOZLHZHM-UHFFFAOYSA-N 362.376 2.306 0 40 FEAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccccc1O 5785439 HZYLDFWVCMXNIX-UHFFFAOYSA-N 370.405 2.209 0 40 FEAB Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)c(C)c1 6922387 GZYUFWGPSMYRKQ-ARFHVFGLSA-N 350.484 2.374 0 40 FEAB Cc1cc2nc(SCC(=O)NC(C)C)n(Cc3ccco3)c(=O)c2[nH]1 67236433 WANDPBNVFCIUDZ-UHFFFAOYSA-N 360.439 2.291 0 40 FEAB C[C@H](NC(=O)CCC(=O)N1CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 19890549 QBJJZDYWXBOLNS-SIHNGCNOSA-N 361.530 2.262 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCCc3nnc4ccccn34)cc12 96117426 YHRLXXSIWHBFKK-UHFFFAOYSA-N 365.393 2.200 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCC1=CCCCC1 8243114 NMUNDIIMCIEGPI-CYBMUJFWSA-N 354.447 2.499 0 40 FEAB O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2ccc(F)cc21 72401168 UGGMIRXTCMACKV-UHFFFAOYSA-N 364.380 2.307 0 40 FEAB O=C(NCCN1CCc2sccc2C1)Nc1cnn(CC(F)F)c1 72548001 ICFFUIPDTNOATO-UHFFFAOYSA-N 355.414 2.390 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc2ccccc12 84598267 BLIHGTKTNSHVCK-OALUTQOASA-N 372.490 2.221 0 40 FEAB COCCOC1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)C1 95460889 MDFIVRKHUPAOTQ-GJZGRUSLSA-N 363.458 2.179 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H]1CN1CCOCC1 73432118 LZHBWPKAKQVVBP-KRWDZBQOSA-N 356.470 2.217 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 9954832 YPWMOXJKOULAMB-GFCCVEGCSA-N 354.362 2.226 0 40 FEAB CN(CCN1CCOCC1)C(=O)c1nccnc1Sc1ccccc1 541427167 STSRUOYNSYJGFY-UHFFFAOYSA-N 358.467 2.032 0 40 FEAB Cc1c(NC(=O)c2cccc(Br)c2)c(C(=O)N(C)C)nn1C 72250625 GMIMBCXUDJWHBR-UHFFFAOYSA-N 365.231 2.445 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC 30858688 SHJBWFACHLQPCF-UHFFFAOYSA-N 373.434 2.368 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)cc1 49404682 NDIHSGWNBCHHGI-UHFFFAOYSA-N 369.421 2.246 0 40 FEAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223296578 OUJJLXJRSXZBAU-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB Cc1ccc(N2CCCN(C(=O)c3cc(-c4ccccn4)no3)CC2)nn1 329916585 YYEIRFZPTIKZDB-UHFFFAOYSA-N 364.409 2.188 0 40 FEAB CC1(C)CN(C(=O)c2ccc(C(N)=O)o2)C[C@H](COc2ccccc2)O1 573702548 MJBPCTUFXSMILP-CQSZACIVSA-N 358.394 2.077 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccc(C)cc2)s1 223720729 LGOALZXVQLRZFB-UHFFFAOYSA-N 353.425 2.129 0 40 FEAB CC(C)c1nnc2n1C[C@H](NC(=O)/C=C/c1ccc3c(c1)CCO3)CC2 95393660 VOJLLGOBXXNZAI-KZJSRBBCSA-N 352.438 2.481 0 40 FEAB CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1C 91021725 LCVZACCDZYEWLV-UHFFFAOYSA-N 357.819 2.443 0 40 FEAB O=C(NC[C@@H]1CCC[C@]2(CCN(C3CCOCC3)C2)O1)c1ccncc1 96206160 XTHFNXXOJCAWRO-AZUAARDMSA-N 359.470 2.004 0 40 FEAB COCCn1c(C(=O)NCCCN(C)C)cc2c1c1ccccc1n2C 96037245 NXVBBZFDFFZKOI-UHFFFAOYSA-N 356.470 2.461 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 248152594 USPONWNEMVCAJA-INIZCTEOSA-N 374.481 2.421 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 248131720 NLQHHJNGBBVBKR-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H]3C[C@H]4C=C[C@H]3O4)nn2c1O 247951175 KLKSFMQPWISPJW-JWZBEHFJSA-N 368.437 2.313 0 40 FEAB CN[C@H]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)OC[C@]1(C)O 257291249 QGGCAHPFYPHUBL-RDJZCZTQSA-N 352.862 2.074 0 40 FEAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccc(F)c3)CC2)ncn1 257324619 WPMAPCRVVXDFQM-ZDUSSCGKSA-N 356.401 2.200 0 40 FEAB CCCn1ccc(C(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)n1 257255564 KHYVVYVUJSOFBW-HNNXBMFYSA-N 354.414 2.409 0 40 FEAB CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)ccn1 257263313 LPHCLCDHAWXIMJ-MRXNPFEDSA-N 353.426 2.142 0 40 FEAB NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@H]3COC4(CCC4)C3)c2)C1 657876741 MWSIFZRNTISLRJ-RBUKOAKNSA-N 357.498 2.185 0 40 FEAB Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C 1775959695 PZQALZJRIBAULP-YOEHRIQHSA-N 357.410 2.172 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCCc3ccsc3)cc3c2N1CC3 96119229 DJDRCXFOUSFQCS-UHFFFAOYSA-N 362.476 2.104 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CCc2ccccc2C1 299517712 DFKHPHMVKUEDQY-QGZVFWFLSA-N 353.470 2.404 0 40 FEAB Brc1cnc(NCc2ccc(N3CCOCC3)nc2)nc1 67348702 VRCQSJRANBDXOY-UHFFFAOYSA-N 350.220 2.083 0 40 FEAB O=C(CCn1cccn1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669147 YTKSRQRLWFCVTK-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@@H]2[C@@H]1CC=CCC1 14607544 IGHIBLQKNVOBSY-PBHICJAKSA-N 350.426 2.373 0 40 FEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCC1=CCCCC1 16249207 YKOWXWXNYXNOGR-UHFFFAOYSA-N 353.469 2.233 0 40 FEAB Cc1cnn(CCC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)c1 19239970 DUTDQMHDZDLREY-UHFFFAOYSA-N 365.437 2.224 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 19719792 SKXKXVGEZLQGJJ-AWEZNQCLSA-N 352.442 2.190 0 40 FEAB CC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302279 CSSBPZDYBJWQFO-NLDJYOPPSA-N 368.389 2.052 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NCc1ccc(F)cc1)OCCN2C 6792673 HHOMJBFBTUEJPQ-UHFFFAOYSA-N 350.415 2.441 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 245026736 NIVFYKFSYYCGTR-ZDUSSCGKSA-N 352.847 2.445 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(I)cc1 31551411 SQZCFOJYGMNXHH-SKDRFNHKSA-N 372.206 2.392 0 40 FEAB CS(=O)(=O)N1CCC(NCc2ccc(Br)cc2F)CC1 35251552 UYBAAHDAFWICFD-UHFFFAOYSA-N 365.268 2.102 0 40 FEAB Cc1c(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)nc2ccccn12 1565554877 IPFCDPWZGNEHKL-UHFFFAOYSA-N 362.437 2.248 0 40 FEAB CCOc1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2CCOC 100873250 DVWCYSXHORTDGW-ZCXUNETKSA-N 364.423 2.063 0 40 FEAB CN([C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)C1CC1 2086889437 YMDFNAXMQFLSNE-CYBMUJFWSA-N 364.446 2.162 0 40 FEAB CC[C@H](C)[C@@H](C(=O)N[C@H](CO)CCSC)N1Cc2ccccc2C1=O 225405873 ORTSWYHOSRKNNC-QRTARXTBSA-N 364.511 2.287 0 40 FEAB biogenic O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(=O)n(-c2ccccc2)n1 40074078 UJIKVQAVMJYSMG-UHFFFAOYSA-N 372.388 2.125 0 40 FEAB COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c1 20103355 SCRQZRMXWZGISX-OAHLLOKOSA-N 366.377 2.229 0 40 FEAB NC(=O)[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCO1 50850491 VLDOTMOCFODYLI-CQSZACIVSA-N 370.371 2.230 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCCCCCC1 32795499 ZXZIBEFFSNUSLM-UHFFFAOYSA-N 350.463 2.217 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(ccn3C)c2)n([C@H]2CCS(=O)(=O)C2)n1 79480282 RYHAWDYXIMWLMA-HNNXBMFYSA-N 372.450 2.295 0 40 FEAB C[C@H](NC(=O)N1CCc2sccc2C1)c1ccc(S(N)(=O)=O)cc1 10276405 YACGSLBBWWMNNQ-NSHDSACASA-N 365.480 2.224 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 10314969 ZUJAHERSFIDABF-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 8732520 HSGBDTBKOAPQDD-CQSZACIVSA-N 368.389 2.450 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc12 23184268 YESPCBQSURCULU-CQSZACIVSA-N 352.394 2.189 0 40 FEAB Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 54368447 SPCHSABMFZDGMM-UHFFFAOYSA-N 363.391 2.023 0 40 FEAB C#CCN1C(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2S1(=O)=O 54800254 XKMWMVVDFSLPDZ-UHFFFAOYSA-N 372.446 2.085 0 40 FEAB COc1ccc([C@H](CC(=O)Nc2ccc(N(C)C)nc2)NC(C)=O)cc1 24114947 QXMYRRFGMYEOLV-KRWDZBQOSA-N 356.426 2.362 0 40 FEAB COc1ccc(NC(=O)COC(=O)CNC(=O)CCC(C)C)cc1Cl 57919176 USGPAQMCQKRUIN-UHFFFAOYSA-N 370.833 2.383 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3241199 CYXWRHACJLFJDH-UHFFFAOYSA-N 352.390 2.387 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C)C1 102684876 PETTUSLHKJQRDZ-JHJVBQTASA-N 359.426 2.391 0 40 FEAB COC(=O)Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)OC)cc2oc1=O 2234061 HDZIGRGCVIDDLJ-SECBINFHSA-N 368.769 2.411 0 40 FEAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccc(Oc2ccccc2)cc1 22466403 ROQVMRRIXSTFRV-GOSISDBHSA-N 369.421 2.166 0 40 FEAB Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cc(C)on2)C(C)C)cc1 3392884 UPLFFGVLYYNTCH-KRWDZBQOSA-N 373.409 2.228 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 3394666 IPLVWLCRXBLGMO-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1Cc2cc(Cl)ccc2O1 11153370 CVWVRYATAYUYKJ-QGZVFWFLSA-N 373.840 2.192 0 40 FEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncnc4c3cnn4C)c12 36616048 WGCYYYXSXHDTLV-UHFFFAOYSA-N 362.397 2.083 0 40 FEAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cn1 28984972 UCGNHUPBAUUSJV-UHFFFAOYSA-N 372.856 2.399 0 40 FEAB O=C(CCN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)cc2)s1 11637730 SETKRTUBNYUDFA-UHFFFAOYSA-N 361.398 2.351 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)nn12 48362915 YNRHNOLRYQPAEA-UHFFFAOYSA-N 359.393 2.359 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccco2)n(C)c1 12848359 IUXZSZQHYZYQBI-LBPRGKRZSA-N 353.444 2.140 0 40 FEAB O=C(NC1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1)c1ccccc1 12885982 ZSIXDGUSQKXVPI-UHFFFAOYSA-N 369.465 2.158 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1cc2ccccc2o1 12886235 CJTONOHHAMAJDG-LLVKDONJSA-N 364.409 2.489 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(CN2CCOCC2)CC1 48483113 BFFRDCDKJQMROM-HNNXBMFYSA-N 350.434 2.164 0 40 FEAB CCONC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 12912979 YGEIZVKFWSKZED-UHFFFAOYSA-N 362.451 2.463 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 6005830 YNERQUZRGWXCQP-UHFFFAOYSA-N 372.425 2.180 0 40 FEAB CC(=O)N1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)CC1 14095198 RGHVHUQPMYIDLL-UHFFFAOYSA-N 365.231 2.163 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 6439234 UPUJMJBKVKKHFS-YWPYICTPSA-N 360.332 2.121 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 14114938 ZOMWRYMASQCXTM-UHFFFAOYSA-N 350.369 2.003 0 40 FEAB CN(CCS(=O)(=O)Oc1ccccc1)C[C@@H]1COc2ccccc2O1 14202090 KXHXXRWQDWMKCG-MRXNPFEDSA-N 363.435 2.167 0 40 FEAB CCOCc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)ccc1OC 14201144 UBBSUILUUUKNEJ-UHFFFAOYSA-N 353.382 2.460 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 5485909 BXZYEZATBXRUDL-UHFFFAOYSA-N 367.336 2.411 0 40 FEAB CCOC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9114654 OWULWCZRXMFFCB-UHFFFAOYSA-N 367.405 2.433 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)Nc2ccccc21)NCCc1cccs1 14386629 LPALWHJEDXFYQP-CQSZACIVSA-N 358.419 2.076 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 6679030 PGNSXJVWGSSETL-UHFFFAOYSA-N 369.446 2.224 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(Cl)c1 6785889 ZRCWAAISXUXZOT-UHFFFAOYSA-N 358.778 2.387 0 40 FEAB Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c2c(C)nn(C)c2n1 14899134 ASTIZUZOHGTMBL-ZDUSSCGKSA-N 352.394 2.155 0 40 FEAB Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)nnn1-c1ccc(OC(C)C)cc1 66839486 JVYZYZWSIOEDIK-INIZCTEOSA-N 371.485 2.435 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 4925354 XVPMVSXRUUJSPV-UHFFFAOYSA-N 371.345 2.025 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc12 15324748 QWVJXTBAEBEGLA-FZKQIMNGSA-N 358.419 2.494 0 40 FEAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]c(=O)[nH]c2c1 67361435 ABFOSXWZJNQLLQ-INIZCTEOSA-N 364.449 2.498 0 40 FEAB CCS(=O)(=O)CCNC(=O)C(C)(C)c1cccc(Br)c1 68056835 YRKNVUHEIRAULK-UHFFFAOYSA-N 362.289 2.278 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 15955095 GWOYTLYMCAAZGT-MGPUTAFESA-N 357.406 2.325 0 40 FEAB biogenic CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 16555732 BLHFDOIEEYXKCJ-ZDUSSCGKSA-N 368.441 2.160 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)Nc1c(F)cccc1F 83859349 ISRNISNBUFTDQT-LLVKDONJSA-N 362.332 2.202 0 40 FEAB O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O 9419110 RUIBNBQOINGCGL-INIZCTEOSA-N 369.343 2.098 0 40 FEAB O=C(OCCCNC(=O)c1n[nH]c2ccccc12)c1[nH]nc2ccccc12 69562396 FYXLZUMDVHGFBN-UHFFFAOYSA-N 363.377 2.416 0 40 FEAB O=C(CCNC(=O)C1(c2ccc(F)cc2)CCOCC1)Nc1ccncc1 72283085 BAPGNJRSWONHFR-UHFFFAOYSA-N 371.412 2.414 0 40 FEAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc1C 95480976 MYOAVDWGMVRQLV-CYBMUJFWSA-N 373.434 2.225 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408552643 MHVGWIOCJZHRIJ-GHMZBOCLSA-N 362.879 2.320 0 40 FEAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 25378572 ZYRHQUFWAMPDCO-OAHLLOKOSA-N 374.466 2.060 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306145157 ZZTFJWBULFUDFI-LSDHHAIUSA-N 369.444 2.004 0 40 FEAB CC(C)N1[C@H]2CN(Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O 306134918 OBPMUUIFUQFPIK-IRXDYDNUSA-N 373.478 2.126 0 40 FEAB O=C(c1noc2c1COCC2)N1CCOC[C@H]1c1cc(F)cc(F)c1 527611612 FGQXEWNCOICTJK-AWEZNQCLSA-N 350.321 2.239 0 40 FEAB CCn1c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)NC3=O)nc2ccccc21 78520297 BNNPALACRLCJHE-LLVKDONJSA-N 362.389 2.431 0 40 FEAB COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2)o1 36612343 QCTNMYCHYJTWCU-ZFWWWQNUSA-N 363.391 2.433 0 40 FEAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 72360911 GLCFODNCUNIUDX-HNNXBMFYSA-N 354.458 2.157 0 40 FEAB Cc1cc([C@H](C)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C)s1 181028927 QGXQFTBTTIPTCJ-NSHDSACASA-N 369.512 2.445 0 40 FEAB CN1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1 83981479 JGYQVLZSSQYXOT-UHFFFAOYSA-N 361.511 2.146 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 225401223 AUQYRXOWGIPLNG-UHFFFAOYSA-N 370.405 2.476 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3ccccn3)CC2)cc1 43955176 AJGLXBPGJOWSEI-UHFFFAOYSA-N 373.478 2.479 0 40 FEAB O=C(c1ccn(-c2ccccc2F)n1)N1CCCC[C@H]1c1nc(O)n[nH]1 574744895 XSZBBBNFKKUQGX-AWEZNQCLSA-N 356.361 2.203 0 40 FEAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccc(NC(N)=O)cc1 47270440 IHOMVSUCUCPZCV-LLVKDONJSA-N 356.382 2.466 0 40 FEAB COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96114147 NJBMBVVBJRTOSZ-ZDUSSCGKSA-N 374.780 2.454 0 40 FEAB biogenic O=C(c1cccnc1)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2 96046552 ZDBDOCPBYGYNSR-UHFFFAOYSA-N 356.451 2.307 0 40 FEAB Cc1cc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)no1 96219120 GRIQGLVEQYPDHW-MRXNPFEDSA-N 358.442 2.471 0 40 FEAB C[C@@H](C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccn1 582953136 PEAGMHFXOXQNMG-CQSZACIVSA-N 363.421 2.046 0 40 FEAB Cc1ccsc1CN1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1 96207335 IVIZPLLJEWTIDZ-GOEBONIOSA-N 358.529 2.119 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCCc2nnc3ccccn23)c1C 96117329 DSTZCOWXCFPCGM-UHFFFAOYSA-N 369.425 2.214 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)ncn1 257302748 SEDYGYPHHRERPM-KRWDZBQOSA-N 358.442 2.183 0 40 FEAB O=C(O)CCNC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1 256028233 ZKVVJJMJCFCHPV-QGZVFWFLSA-N 369.373 2.111 0 40 FEAB COc1ncc(Cl)c(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)n1 1775959093 HBMDHPXUWOMEFM-KOLCDFICSA-N 350.810 2.466 0 40 FEAB CCN1C(=O)C[C@H](C(=O)NCCc2ccccc2C)[C@H]1c1nccn1CC 1615553113 PXKAXVHJIPMNBD-HKUYNNGSSA-N 368.481 2.480 0 40 FEAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cc1cc(C)ccc1F 656857684 OOCQAQIZGFLEPD-HNAYVOBHSA-N 358.417 2.029 0 40 FEAB CCc1nc(S(=O)(=O)Nc2ccc(C(=O)O)cc2F)cn1CC1CC1 663255649 DVGOIPGZUMNVKW-UHFFFAOYSA-N 367.402 2.494 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)c1 585109694 ZYKZWXJNCVKWJQ-IPMKNSEASA-N 368.433 2.442 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]21 585109260 FJAGXKWGCMCEPB-VNHYZAJKSA-N 362.476 2.356 0 40 FEAB O=C(c1ccco1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1 585096730 BKGIXHRITJLIDC-CYBMUJFWSA-N 350.369 2.232 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNC2CCCCC2)C1 585283435 OIWJALQRYKANQA-PKOBYXMFSA-N 366.889 2.200 0 40 FEAB CN1CCC(CCNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 74085946 BSVJLDIKFOMIQG-UHFFFAOYSA-N 368.485 2.202 0 40 FEAB CCO[C@H]1C[C@](O)(CNc2ncc(C(=O)N(C)C)cc2Cl)C1(C)C 682722605 FZKWOMPYCKBTLD-GUYCJALGSA-N 355.866 2.415 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](C)CCO)cc1 3212067 UHWQFHBDPFAISJ-NOMGLIDZSA-N 368.433 2.353 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(C(=O)c2cccc(F)c2)CC1 12121376 DYZVPPYCBLXEOQ-UHFFFAOYSA-N 369.443 2.101 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)c(C)o1 12183808 SOWUJDKBRKKCQW-NSHDSACASA-N 356.382 2.173 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCSc1ccccc1 14140060 MLQRYRBUOONSLE-UHFFFAOYSA-N 350.465 2.165 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)cc1 14153201 DMPLEWDTQMGIGJ-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)NC1CCCC1 14202231 FOLOJAPCRGIUNK-DOMZBBRYSA-N 350.415 2.025 0 40 FEAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(C)=O)CC2)cc1 19756496 SNOVZBLVQFTVIN-UHFFFAOYSA-N 370.453 2.482 0 40 FEAB COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 1718970 XGYZDZNXCXHGBV-CNFLGBHRSA-N 366.461 2.481 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 5938360 PCYRIXKZYWYVQF-KRWDZBQOSA-N 352.390 2.005 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)CC4(O)CCC4)C[C@@H]32)CC1 1565551194 AZTCVXLQJLXAOK-DOTOQJQBSA-N 370.497 2.116 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3ccccc3)C2)C1 1565546000 QGURWUWWHCICJG-XODKDNOYSA-N 356.466 2.024 0 40 FEAB Cn1c(=O)c2c(SCc3ccccc3F)nc(C3CC3)nc2n(C)c1=O 4139083 KICPKGJVSVNEOM-UHFFFAOYSA-N 372.425 2.336 0 40 FEAB CN(C)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 4270360 AGOVNEJTSUJIGG-UHFFFAOYSA-N 371.462 2.389 0 40 FEAB Cc1cc(O)c(C(Cc2ccccc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 7424331 AVSLJZIPASTMQU-UHFFFAOYSA-N 352.390 2.466 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781373 YTGZUWAHBZTUSF-UHFFFAOYSA-N 367.336 2.412 0 40 FEAB CN([C@@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1)S(=O)(=O)C1CC1 2086887023 RFKZIVDDFIIKBN-GFCCVEGCSA-N 363.405 2.493 0 40 FEAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1ccc(-c2ccoc2)nc1 575414589 YUMOBDCAYSCOSE-UHFFFAOYSA-N 350.378 2.092 0 40 FEAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccccc2Cl)cn1 575619144 HJGYAWHKOQCZKV-UHFFFAOYSA-N 363.830 2.009 0 40 FEAB O=C(NCC[C@H](O)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77112526 CNDOWGHAMLMDDA-LBPRGKRZSA-N 372.299 2.357 0 40 FEAB Cc1noc(C)c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225736130 YEJOUULSFOXKBK-UHFFFAOYSA-N 355.442 2.359 0 40 FEAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(F)c1 40030620 UMRITHOXODAAFI-QGZVFWFLSA-N 364.442 2.005 0 40 FEAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)n[nH]2)cc1 21017188 XOJZEFNDFWQMEO-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)o1 21622691 HCDCKCDEFRDMSW-JTQLQIEISA-N 362.411 2.168 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C[C@H]2CCCO2)CC1 32987886 SUTCDZFCPPUCPY-LJQANCHMSA-N 368.481 2.426 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)OCCN1C(=O)c2ccccc2C1=O 2664613 NKMLLDJIEQATMX-UHFFFAOYSA-N 365.385 2.394 0 40 FEAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33040102 VMCMZYNGCUFGJF-ZIAGYGMSSA-N 361.467 2.320 0 40 FEAB CC(C)[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@@H]1CCCO1 1345141 HWFCGYLPDLPZKZ-WMZOPIPTSA-N 359.422 2.325 0 40 FEAB CCOc1ccc(-n2c(C)nnc2SCC(=O)NCCCOC)cc1 6935116 LNHWNUINPLAFPE-UHFFFAOYSA-N 364.471 2.219 0 40 FEAB CCC(=O)c1ccc(OCC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 22510882 XKUYQGOIAICOJN-SFHVURJKSA-N 362.470 2.131 0 40 FEAB COc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cn1 10991356 HZZLUDOSHCNEHM-LJQANCHMSA-N 355.438 2.090 0 40 FEAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1 8318453 OCXTUSCOKPRFEZ-INIZCTEOSA-N 373.453 2.363 0 40 FEAB CCOC(=O)N[C@](Nc1ccc(Cl)cn1)(C(=O)OC)C(F)(F)F 12413580 CUOUGMNYSYLZKD-LLVKDONJSA-N 355.700 2.325 0 40 FEAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1O 1006082 PAEFIORONZWRGS-NTUHNPAUSA-N 351.380 2.389 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2ccccn2)CC1 12543633 XQPIXQXNLXJWRJ-UHFFFAOYSA-N 371.506 2.467 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24610906 CVLGQRFOHQVYKS-UHFFFAOYSA-N 352.500 2.453 0 40 FEAB CCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 24801486 HGSODYVBGUQLQM-LBPRGKRZSA-N 367.858 2.005 0 40 FEAB CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 34861682 XFZYRWZQANTIGK-UHFFFAOYSA-N 359.257 2.231 0 40 FEAB CCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1 3367709 MIPAMQBHVXLTJU-UHFFFAOYSA-N 350.426 2.388 0 40 FEAB COc1ccccc1Cn1c(SCC(N)=O)nc2ccccc2c1=O 58110865 NIJBVDRLIJSBMZ-UHFFFAOYSA-N 355.419 2.031 0 40 FEAB CCOC(=O)c1cnc(SCc2noc(-c3ccccc3O)n2)nc1N 58280364 BVMSAXOIVIKLGK-UHFFFAOYSA-N 373.394 2.283 0 40 FEAB O=C(c1cnc2ccccn12)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306132512 LLCLCWBVAKFIAP-OAHLLOKOSA-N 364.405 2.039 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)o1 12819051 QMQYXLZQAIGJDA-RMKNXTFCSA-N 360.435 2.441 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1N1CCOCC1 3415217 UJISUICSSGISBC-UHFFFAOYSA-N 374.462 2.326 0 40 FEAB COc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1OCC(N)=O 12924336 ZAPCQDMSNCGOOZ-UHFFFAOYSA-N 360.797 2.416 0 40 FEAB C[C@H]1CN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)C[C@@H](C)O1 13607631 RUBIFIONJMCKLJ-TXEJJXNPSA-N 373.844 2.386 0 40 FEAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 4288883 AXPKQHVDUASZHA-MGPUTAFESA-N 357.454 2.188 0 40 FEAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC)nc2)CC1=O 6252284 KNUCXLHAJBTQTK-ZDUSSCGKSA-N 355.394 2.481 0 40 FEAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6297910 RFJGXXAFTAKNCZ-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2F)cc1 14021621 HNMNGYNYVQYPDC-UHFFFAOYSA-N 351.399 2.428 0 40 FEAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2ccco2)CC1 14070932 MVVXYDMYJFNSKB-LBPRGKRZSA-N 362.817 2.113 0 40 FEAB CC(C)CNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 5317121 QRIQBGJASJNCQD-UHFFFAOYSA-N 371.224 2.185 0 40 FEAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@H]1CCOC1=O 14197180 GNVUKCOPCAHSFC-NSHDSACASA-N 370.283 2.372 0 40 FEAB CCCNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570076 HGVMMJSXHRNBMT-UHFFFAOYSA-N 372.421 2.298 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CNC(C)=O)s2)n1 6648318 PWZTXTJZFOXBAO-UHFFFAOYSA-N 365.480 2.395 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 7007023 MUYACMIQGWCTDL-IBGZPJMESA-N 372.377 2.432 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)c1 9337119 XIACKTUDKWOPJO-LLVKDONJSA-N 353.378 2.431 0 40 FEAB O=C(Cc1ccc2c(c1)CCCC2)NN1C(=O)NC2(CCCCC2)C1=O 8157033 CFORIEHICIKBNY-UHFFFAOYSA-N 355.438 2.394 0 40 FEAB COc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1Br 8132552 YCSZRIQUWQDQCL-UHFFFAOYSA-N 374.260 2.023 0 40 FEAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc(Br)cc1F 8319498 LTGSMDHUDWQCNG-ZCFIWIBFSA-N 360.212 2.231 0 40 FEAB CC[C@H](C)c1ccccc1NC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 9479754 WLXITXJIUPIYGO-LBPRGKRZSA-N 360.439 2.108 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl 72404297 FJDTWGMQMQAVLY-UHFFFAOYSA-N 374.784 2.317 0 40 FEAB Cn1cc(C[C@H]2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3O)C2)cn1 84407309 IJKCBGAZKXISEZ-CYBMUJFWSA-N 369.400 2.155 0 40 FEAB CCCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 20140194 FYMINBFSDHWSQQ-QGZVFWFLSA-N 350.511 2.111 0 40 FEAB COC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1COCCO1 95350334 KJNMAWVLPZCSBR-NSHDSACASA-N 354.355 2.286 0 40 FEAB C[C@@]1(c2ccc(NC(=O)c3ccnc(Cl)c3F)cc2)NC(=O)NC1=O 95449042 RVJCZKYRRKMXNO-INIZCTEOSA-N 362.748 2.181 0 40 FEAB COc1ccc(C(=O)OCCSc2ccccc2)cc1S(N)(=O)=O 95995861 VHPWUOIVLFRDRP-UHFFFAOYSA-N 367.448 2.292 0 40 FEAB CN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 89375104 SMAUXVQFKWAWNH-MJGOQNOKSA-N 373.403 2.256 0 40 FEAB CCN(CCN(C)CC(F)(F)F)C(=O)CN1CCCCCCC1=O 75105273 XWFODKICDDJECF-UHFFFAOYSA-N 351.413 2.122 0 40 FEAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccsc1 89967768 LLSLCJLTBKDMOH-GDBMZVCRSA-N 361.515 2.410 0 40 FEAB O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 32620390 JTDOMGJGEXNXKB-GFCCVEGCSA-N 351.453 2.183 0 40 FEAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 63389699 BDCXZQFNWNLUNY-ROUUACIJSA-N 362.495 2.224 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[C@@H]1c1ccccc1 504424170 REZBKXLWJJWOSH-MEZWHVQBSA-N 356.466 2.360 0 40 FEAB biogenic CN1Cc2cccnc2-n2ncc(C(=O)NCCc3cccs3)c2C1 306134964 OCSQFYVQWDNIHK-UHFFFAOYSA-N 353.451 2.247 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1Cl 519516057 PRYSDJCUUVGVBG-UHFFFAOYSA-N 350.827 2.451 0 40 FEAB O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524729650 BZJSJZGONMFJRN-DVOMOZLQSA-N 354.410 2.143 0 40 FEAB biogenic CC(=O)Nc1cc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)ccc1C 542010611 ZZQMOORGWATCST-QGZVFWFLSA-N 355.369 2.238 0 40 FEAB O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(Br)cc1 70639351 TXWHOJXYPNUFFM-CQSZACIVSA-N 370.268 2.331 0 40 FEAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1nc2ncccn2n1 36618689 WZVBNHAOZHCOCP-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB CC[C@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1cc(Cl)cn1 36614993 JEHFYENPIKMRCS-CYBMUJFWSA-N 359.883 2.381 0 40 FEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccccn1 31848748 UPJHRWLYTIKVTI-UHFFFAOYSA-N 360.167 2.012 0 40 FEAB COc1ccccc1O[C@H]1CCCN(c2nc(O)c3cnn(C)c3n2)C1 562871968 VJIVMANLOPJQHW-LBPRGKRZSA-N 355.398 2.125 0 40 FEAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@@H]3CCCO3)n2)cc1C 41255030 LPXNTGDZRFPORK-KRWDZBQOSA-N 355.438 2.212 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 45500001 ZBPZWNSQKVGRLV-UHFFFAOYSA-N 367.448 2.134 0 40 FEAB COc1cccc(C(=O)N2CC(c3nc(-c4cccnc4)no3)C2)c1OC 49483419 OZYBTCCFPNEPOO-UHFFFAOYSA-N 366.377 2.388 0 40 FEAB COc1cccc(N(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 225843188 BQZSVEPAZSNRKG-UHFFFAOYSA-N 360.435 2.294 0 40 FEAB CCc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 224073705 NMDKTGKLAVRPRI-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)c3cncnc3)CC2)cc1 333429731 JXQJPXDLMJXJLJ-HNNXBMFYSA-N 352.438 2.310 0 40 FEAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCC(C)C)C1 96252949 YUCNITGYNMFXAP-KZNAEPCWSA-N 359.470 2.066 0 40 FEAB CCN1CCOC[C@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96228868 DLDLQCNYICXOBE-HXUWFJFHSA-N 356.470 2.148 0 40 FEAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(CC2CC2)CC3)C1=O 97952902 VNMHMMUPWJLDPP-OAQYLSRUSA-N 369.513 2.027 0 40 FEAB O=C(c1ccsc1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96093783 WOCGENDYYXMHFU-UHFFFAOYSA-N 358.467 2.297 0 40 FEAB CS(=O)(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 96241350 PWEZSAOPGZZUOM-UHFFFAOYSA-N 357.479 2.395 0 40 FEAB CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccco1)CC2 96036945 OOWJKAWWYABRME-UHFFFAOYSA-N 366.469 2.313 0 40 FEAB Cc1c(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)[nH]c2ccc(Cl)cc12 96139953 KHOUBCFHZVQGPW-GFCCVEGCSA-N 362.861 2.057 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 257233000 GNHSKMLXCUVPHV-KRWDZBQOSA-N 358.417 2.420 0 40 FEAB CC(C)[C@@H]1CCCCCN1C(=O)Cn1cnc2c1CCNC21CCOCC1 1615553566 XEDMRZZABNLCLS-KRWDZBQOSA-N 374.529 2.462 0 40 FEAB O=C1CCCN1C[C@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 628141555 WHQLZPWHNDTYSD-LLVKDONJSA-N 367.243 2.239 0 40 FEAB Cc1c(C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)nc(O)c2ccccc12 655123445 SHICTRRXRYINMR-CPUCHLNUSA-N 356.422 2.251 0 40 FEAB CCn1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)Cc3ccccc3)C2)cn1 1291638274 OZMMNDUCACJCPL-SJLPKXTDSA-N 368.481 2.360 0 40 FEAB C[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](c2ccco2)C1 608486860 WDUPDPMCFCWJDS-BBRMVZONSA-N 352.394 2.384 0 40 FEAB O=C(O[C@H]1CCOC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585399722 UMFKZRFQJCTQFP-SWLSCSKDSA-N 373.858 2.427 0 40 FEAB CN(C)C/C=C/C(=O)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 585288907 BPQOUQFINXMESX-LNTYHFEGSA-N 358.482 2.471 0 40 FEAB Cc1ccc(C[C@]2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)cc1 585277557 MYHLIKREGRXAOV-HXUWFJFHSA-N 355.438 2.042 0 40 FEAB O=C(CC1CC1)N[C@H]1COCCC12CCN(C(=O)C1(F)CCC1)CC2 585103933 WLGLFESBELUKJA-HNNXBMFYSA-N 352.450 2.193 0 40 FEAB CCc1ncc(C(=O)N2CCC[C@@](O)(COc3cccc(F)c3)C2)cn1 585276045 ITUKHYHESOCKGB-IBGZPJMESA-N 359.401 2.224 0 40 FEAB CS(=O)(=O)CCn1c(CNC(=O)c2ccccc2)nc2ccccc21 49998850 YLFQRXXSCDVRAZ-UHFFFAOYSA-N 357.435 2.011 0 40 FEAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccncc2)CC1 56500689 PRTAQVRANHJQCZ-UHFFFAOYSA-N 374.828 2.490 0 40 FEAB COc1cccc(C(=O)N2CCN(Cc3c(C)nn(C)c3Cl)CC2)c1 58177868 WALJVSFLUBLCRD-UHFFFAOYSA-N 362.861 2.349 0 40 FEAB Cc1ccc2nc(SCC(=O)NCc3cccnc3)n(C)c(=O)c2c1 78772658 PYMWIJVBGRNIQG-UHFFFAOYSA-N 354.435 2.045 0 40 FEAB CCCN(CCN(C)C)C(=O)c1cc(C(=O)OC)nn1-c1ccccc1 95400082 JYWJLTWJPFZCOU-UHFFFAOYSA-N 358.442 2.073 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 12255798 PCBYXTNVRVENTB-CQSZACIVSA-N 363.421 2.087 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1 14225075 GOARVGQFGGIUTP-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575417 DSVCEDSTYCINNX-ZDUSSCGKSA-N 354.472 2.199 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 156005127 XWPGUSMQOIEFGO-UHFFFAOYSA-N 353.426 2.055 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)c1cccc3c1oc(=O)n3C)CC2 155435946 LXNWJYCSLBWQJQ-UHFFFAOYSA-N 368.389 2.347 0 40 FEAB CCCCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694039 RILQCBLPQVADLM-UHFFFAOYSA-N 361.417 2.429 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1 36385121 BYTOVYYVQPIVSJ-UHFFFAOYSA-N 360.391 2.078 0 40 FEAB O=C1[C@@H]2CN(c3ncnc(C4CC4)c3F)C[C@H]2C(=O)N1Cc1ccccc1 1888879199 KBQLDWPYUAWCNA-HUUCEWRRSA-N 366.396 2.115 0 40 FEAB c1csc(-c2ccc(N3CCN(Cc4nnc5n4CCC5)CC3)nn2)c1 1848743131 PSUSRMWPPZKUIK-UHFFFAOYSA-N 367.482 2.065 0 40 FEAB c1coc(-c2nnc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c1 22186610 NTTOGJWJQLDRLJ-UHFFFAOYSA-N 368.393 2.376 0 40 FEAB c1csc(OC2CCN(Cc3noc(C4CCOCC4)n3)CC2)n1 2086960803 MVMSSDULZQHKPJ-UHFFFAOYSA-N 350.444 2.464 0 40 FEAB c1cncc(-c2ccnc(N3CCN(c4ncnc5c4CCC5)CC3)n2)c1 2086992531 QQIUPMRARVJMDH-UHFFFAOYSA-N 359.437 2.144 0 40 FEAB COc1ccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1 2055772506 ONBZNVKTHGRXAG-UHFFFAOYSA-N 354.454 2.115 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)C1CCN(CC(F)(F)F)CC1 40153958 NICDLRPIHIRFCX-UHFFFAOYSA-N 367.375 2.158 0 40 FEAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1 40149717 MFJANAPITHGBBW-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)nc(=O)[nH]c1C 32747180 UKWWOVWXNCHBBN-UHFFFAOYSA-N 361.423 2.213 0 40 FEAB CSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1 41156664 HQTPLMXAMMOLNA-NSHDSACASA-N 351.815 2.278 0 40 FEAB C[C@@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)NC1CC1 32899310 SABRQLVWIAIPMI-CYBMUJFWSA-N 364.405 2.304 0 40 FEAB CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 33040379 OFZKTTAIBHXFKQ-CHWSQXEVSA-N 355.460 2.016 0 40 FEAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(C)C)cc2C1=O 3413262 DLMQEVVTODWVPF-UHFFFAOYSA-N 374.437 2.258 0 40 FEAB CCc1ccc2nc(N3CCN(C(=O)C4=COCCO4)CC3)sc2c1 4583415 CZGMUSMXFGEJEG-UHFFFAOYSA-N 359.451 2.396 0 40 FEAB Cc1c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 645786 MNEPUKXHDJFZGF-UHFFFAOYSA-N 365.389 2.490 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2)n1 6922186 VMLRCFXKDZKCPG-USTZCAOPSA-N 351.406 2.215 0 40 FEAB CC(C)Cn1nc(C(=O)NCC(C)(C)CN(C)C)c2ccccc2c1=O 7957022 SOTYOOTUCDRDOX-UHFFFAOYSA-N 358.486 2.370 0 40 FEAB Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)N[C@@H](C)CCCc1ccccc1 100769775 YBUDZKSHUQZWAM-ZDUSSCGKSA-N 367.453 2.105 0 40 FEAB O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2ncccn2)CC1 23703304 WDUDBOMGEORXQY-QUCCMNQESA-N 368.481 2.054 0 40 FEAB CCOC(=O)[C@H]1CC(=O)[C@@H](c2ccccc2N2CCN(C(=O)CC)CC2)C1 57327983 BWNSMLKZLGTWGD-NVXWUHKLSA-N 372.465 2.371 0 40 FEAB C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cccc(C(F)(F)F)c1 106516469 ODSVMXOORVTOHS-CYBMUJFWSA-N 358.408 2.141 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)C2(c3cccc(F)c3)CCCC2)n1 12508901 NUMZKIFOJPUWBG-UHFFFAOYSA-N 359.405 2.214 0 40 FEAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCCC2 56059052 ULIIQBWMURHZEE-UHFFFAOYSA-N 372.494 2.303 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)N(C)C(=O)N[C@@H]1c1ccccc1 12535612 SIASIRYBSSCUED-OAHLLOKOSA-N 372.450 2.336 0 40 FEAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(C[C@H]2CCCO2)CC1 25764488 NIAPNSAWYBGWMH-RTBURBONSA-N 362.514 2.346 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 26038488 HCGBXZWXDZVSRI-QGZVFWFLSA-N 351.472 2.154 0 40 FEAB CO[C@@H](C(=O)N1[C@H]2CC[C@H]1Cc1c(O)nc(C)nc1C2)c1ccccc1 100219920 AGDHTKBTRWCSSS-RLFYNMQTSA-N 353.422 2.337 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H](NCCNC(C)=O)c1ccccc1 57273979 XIOOFVLJGVWDMB-LJQANCHMSA-N 355.438 2.409 0 40 FEAB O=C1NCCCC[C@H]1Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 58341953 NEXUTRNQNWLQKF-CZUORRHYSA-N 373.478 2.336 0 40 FEAB NC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 12534682 PVIQAGVNORUUPV-UHFFFAOYSA-N 370.800 2.070 0 40 FEAB COc1ccc(NC2=N[C@@H](c3ccncc3)n3c(nc(C)cc3=O)N2)cc1 104017345 FUCVOSMMKMLZRF-QGZVFWFLSA-N 362.393 2.396 0 40 FEAB COC[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 27472073 FBAAONIXOIREFR-SNVBAGLBSA-N 369.343 2.324 0 40 FEAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 12612260 ZYHNKLZVHNIPMG-GFCCVEGCSA-N 361.419 2.352 0 40 FEAB COC(=O)c1cc(OC)ccc1NCc1cc(=O)n2cc(C)ccc2n1 58201257 MIFWTLVDDBINCW-UHFFFAOYSA-N 353.378 2.410 0 40 FEAB c1cnc(-c2nc(CN[C@@H]3CCCN(c4ncccn4)C3)cs2)nc1 58208454 OSKQCDWXRKXFBQ-CYBMUJFWSA-N 353.455 2.149 0 40 FEAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 58280874 ZCQQJIUKNBKPFU-IXDOHACOSA-N 371.481 2.276 0 40 FEAB O=C(Nc1ccncc1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58201372 BNQVDFPPMIKPGE-IAGOWNOFSA-N 362.389 2.294 0 40 FEAB CC(C)COCCC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58264463 FZYCFNYRQPYHDL-GOSISDBHSA-N 352.450 2.378 0 40 FEAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 58429276 XWOARMBAPTYGQZ-CYBMUJFWSA-N 358.385 2.418 0 40 FEAB O=C(COC(=O)c1cccc(Br)c1)NC(=O)NC1CCCC1 3377428 MCZLPRWNKVMFCJ-UHFFFAOYSA-N 369.215 2.374 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2402771 JDRAQFXCNZIIPO-MAECAPAWSA-N 357.406 2.101 0 40 FEAB CN1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccc(Cl)cc2)CC1 22078651 ADFAXULBBGKAPC-JXAWBTAJSA-N 373.840 2.362 0 40 FEAB COc1c(F)c(F)c(C(=O)NC(=S)NCc2cccnc2)c(F)c1F 408627592 MCJQJBBMAIMDTO-UHFFFAOYSA-N 373.331 2.451 0 40 FEAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C2CCCCCC2)c1 12874733 MIZYANKDTQZKJQ-UHFFFAOYSA-N 374.528 2.280 0 40 FEAB CCCn1nc(C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2c1=O 3533664 OERSBHRLIJYDJM-UHFFFAOYSA-N 362.389 2.405 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)CCCOc2cccc(C)c2)CC1 12921487 JRWNZQANVVEXCM-UHFFFAOYSA-N 368.499 2.084 0 40 FEAB O=C(OCC(F)(F)C(F)F)[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1CCCO1 4492181 RDXBMMHFPRBJRS-TUAOUCFPSA-N 367.339 2.308 0 40 FEAB Cc1c(C)n(CCCN(C)C)c2ncnc(NCCCN3CCOCC3)c12 5346078 KNDMHSYVRYKGEG-UHFFFAOYSA-N 374.533 2.134 0 40 FEAB COCCn1c(S[C@@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCC3 5430108 HBDWNZNAOINRHO-VIFPVBQESA-N 368.480 2.247 0 40 FEAB O=C(NCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1 23673323 IJLJSXJJOKHXQX-XBXARRHUSA-N 367.449 2.257 0 40 FEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CCCCC3)C2=O)cc1 9419194 PEALVOBORSUCGF-KRWDZBQOSA-N 373.453 2.345 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F 7632658 WMJSLGDYOJUFMC-VHSXEESVSA-N 366.320 2.247 0 40 FEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2cc(C)on2)c1 7831784 KHBSOEHEUCDHBG-UHFFFAOYSA-N 359.411 2.411 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(n3cccc3)CC2)C1 70004116 IEIHFOLEEUXIPF-INIZCTEOSA-N 367.515 2.103 0 40 FEAB O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@H](CN2CCOCC2)C1 69745915 HWITVEXWFAJDAA-MRXNPFEDSA-N 360.454 2.032 0 40 FEAB Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnn3ccccc13)C2 92065844 ARQDYLPDIXJQCD-JKSUJKDBSA-N 364.453 2.102 0 40 FEAB Cn1cc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cn1 306136759 QCQUZRFUENXIRT-APWZRJJASA-N 369.446 2.435 0 40 FEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](O)CN(C)C 89526034 VUFZYGRWNYNORV-SNVBAGLBSA-N 355.797 2.095 0 40 FEAB CC(C)[C@@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)N1CCCc2ccccc21 89775819 RENLVDIFYMNWKB-MAUKXSAKSA-N 358.438 2.060 0 40 FEAB O=C1[C@@H]2[C@@H](N=NN2Cc2nc(-c3ccccc3)no2)C(=O)N1c1ccccc1 49002637 GVWWWFAPIJDUQY-CVEARBPZSA-N 374.360 2.230 0 40 FEAB O=c1nc2n(Cc3ccccc3F)cccc-2c(=O)n1Cc1ccccn1 32615383 QEAZMCSFSYATAC-UHFFFAOYSA-N 362.364 2.141 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1 217640941 YJMPMXUUGNQJEB-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB CC(C)c1nc2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2[nH]1 79495711 DYRLYKBOWYAHCJ-UHFFFAOYSA-N 362.393 2.430 0 40 FEAB CC(C)c1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1 36686284 WSKFNTFZVUIGCF-UHFFFAOYSA-N 372.469 2.241 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1OC 224808890 CHPVFQRNELKDPJ-UHFFFAOYSA-N 365.407 2.300 0 40 FEAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1 225466233 BCIKEZQYYQCLSZ-MRXNPFEDSA-N 365.543 2.447 0 40 FEAB biogenic,in-vitro O=C(Cc1ccsc1)NCCN1Cc2cc(Cl)ccc2OCC1=O 225772931 XFJYPBQSOUZENY-UHFFFAOYSA-N 364.854 2.481 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCc2ncnc(N3CCCC3)c2CC1 96255452 AJSPVFHVDGVYAX-UHFFFAOYSA-N 354.429 2.386 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 96183053 ZMYHCXLDAQKRPN-NZSAHSFTSA-N 351.454 2.244 0 40 FEAB Cc1cc(=O)c(OCC(=O)NCc2nc3ccccc3n2C(C)C)c[nH]1 95473633 SBLSAVURTGNMKU-UHFFFAOYSA-N 354.410 2.309 0 40 FEAB CCN(C[C@H]1CCCN1CC)C(=O)C1CCN(C(=O)c2ccoc2)CC1 585083120 LJSXRWBWRUAVFN-GOSISDBHSA-N 361.486 2.465 0 40 FEAB CNC(=O)[C@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257257235 KOQXYKMIOSAKHJ-OAQYLSRUSA-N 366.465 2.196 0 40 FEAB C[C@@]1(O)CCN(Cc2cccc(OCCO)c2)C[C@H]1Oc1ccccc1 257213543 CIAKIZBIGFEFRV-NHCUHLMSSA-N 357.450 2.462 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2ccc(F)cc2)C(=O)O)cc1 260679656 UYHLDAYCHLWWID-MRXNPFEDSA-N 351.399 2.451 0 40 FEAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c1 630196245 BDEPMQYOEVPKRN-HRCADAONSA-N 354.410 2.252 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)o1 603069924 ZKDYCDKFRQCAAS-AWEZNQCLSA-N 360.435 2.308 0 40 FEAB O=C(c1nn(-c2ccc(F)cc2F)cc1O)N1CCN(CC2CC2)CC1 673923935 NTINKRUNNMSWEH-UHFFFAOYSA-N 362.380 2.024 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(OC(F)F)c1)CS2 50378956 PHBRRTUYPBMWLD-LRDDRELGSA-N 356.394 2.358 0 40 FEAB Cc1cc(-n2cncn2)ccc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97143670 CQECMSIXEZSGQG-UHFFFAOYSA-N 373.420 2.333 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@](C)(COc1ccccc1)C(=O)O 95424638 KKRGTWRCILHAOR-CWTRNNRKSA-N 359.426 2.179 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085230 RONCRAWFQHEXAS-AWEZNQCLSA-N 369.450 2.472 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3[C@H](C)CCC[C@H]3C)nc12 12117674 FDWVGJLZKXMPGV-ZIAGYGMSSA-N 355.442 2.260 0 40 FEAB CCn1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c1C 12122435 KGJULNHHFHSUIZ-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB C=Cn1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 12142560 PWTPTWSGRLFABB-QFBILLFUSA-N 366.469 2.180 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N4CCCC[C@H]4C)nc3c2c1C 12144876 GPTGTMGEWRDGDA-SNVBAGLBSA-N 373.482 2.432 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)C1 12146286 WEFVFOWXMRGFKE-MPGHIAIKSA-N 369.465 2.142 0 40 FEAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC(C)C)CC1(CCN(C)CC1)O2 19218388 ZFJYDZFOVMNCBA-MRXNPFEDSA-N 373.497 2.207 0 40 FEAB CN1C[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)CC1=O 19589048 XSALNFKNGGEVPR-HUUJSLGLSA-N 369.509 2.334 0 40 FEAB Cc1c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)sc2nc[nH]c(=O)c12 19717807 BZWSHUHHLOHIKD-UHFFFAOYSA-N 372.435 2.402 0 40 FEAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 2466735 QPNWINWQBAVTFE-UHFFFAOYSA-N 357.435 2.082 0 40 FEAB CCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Br)n(C)n1 634804832 VCDYQNZOSRAKQU-CYBMUJFWSA-N 366.215 2.301 0 40 FEAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 4287710 UUVAQMUYKHOFCB-UHFFFAOYSA-N 367.862 2.463 0 40 FEAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCO2 5325181 WFNBRHAQZSFYCI-SNVBAGLBSA-N 368.311 2.473 0 40 FEAB COC(=O)c1ccc(OCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 5403444 NRHVZXCVWPJLAL-UHFFFAOYSA-N 371.345 2.422 0 40 FEAB Cc1ccc(N2CC(N(C)C(=O)COc3ccc(Cl)c(C)c3)C2)nn1 1888869662 JMKNQVOBMQZEJL-UHFFFAOYSA-N 360.845 2.473 0 40 FEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3ccccn3)C2)n1 1888897063 GSUFRKSSEBBNOH-UHFFFAOYSA-N 362.389 2.011 0 40 FEAB COc1ccc(S(=O)(=O)N2CC(Cn3cc(Cl)cn3)C2)cc1F 1848697453 KOOLNVCDHUSTMF-UHFFFAOYSA-N 359.810 2.005 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839749 CCEZFDZLAKBHES-HXUWFJFHSA-N 369.396 2.177 0 40 FEAB Cc1cnccc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984636 IAVCVNYKXHSTFB-APWZRJJASA-N 365.433 2.284 0 40 FEAB O=C(N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1)C1(F)CC1 1565544378 JHONYGHKJPRUAM-QGZVFWFLSA-N 351.397 2.168 0 40 FEAB COc1ccccc1-c1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)o1 4518057 WOBFWGAGPYPPFW-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1F 4940800 YILAAWVQVSOJAC-LLVKDONJSA-N 362.382 2.306 0 40 FEAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9035641 JPLXDSAFWQGDFV-OAHLLOKOSA-N 374.462 2.335 0 40 FEAB CCN1CC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CC1=O 2055795993 GUPOWPRFJAQCBR-UHFFFAOYSA-N 360.845 2.462 0 40 FEAB O=C(NCC(F)(F)F)[C@]1(n2ccnc2)CCCN(Cc2nccs2)C1 2055772029 RTQQFFUGDFCWBY-AWEZNQCLSA-N 373.404 2.009 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccccc2)N2CCN(C)CC2)cc1 22778408 PTSLJLVCAKADSV-FQEVSTJZSA-N 353.466 2.414 0 40 FEAB CN([C@@H]1CCCN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1 2086889235 UCOWRXOILGPEGJ-CQSZACIVSA-N 350.488 2.137 0 40 FEAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)CN2CCCC2=O)CC1 12231078 ZVRWJQOWYOPIOT-UHFFFAOYSA-N 370.428 2.285 0 40 FEAB O=C(CCNC(=O)c1cccs1)NCc1ccc(-n2cccn2)cc1 40105156 AVJVWNGJAGRDFI-UHFFFAOYSA-N 354.435 2.370 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 40111472 GDWKWVGLLQLJFN-KPZWWZAWSA-N 357.362 2.405 0 40 FEAB COc1cc(C(=O)Nc2ccccc2OCCC(N)=O)cc(OC)c1OC 40139037 PZGTTYLAGONHRS-UHFFFAOYSA-N 374.393 2.219 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 20373183 LOHZBAULSPCNSD-UHFFFAOYSA-N 356.426 2.103 0 40 FEAB CCNC(=O)[C@H](C)NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 51135420 ULVQEJDVHWTMPP-JTQLQIEISA-N 374.409 2.019 0 40 FEAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1ccccc12 102734038 FWJHLAYEGYTVCD-VKJFTORMSA-N 364.467 2.242 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 2650853 VCNAJBRMCLQSGL-UHFFFAOYSA-N 354.362 2.123 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 3474172 RDOFOPFIJBSBCC-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB Cc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2c(C)noc2C)cc1 42289815 RXFOYXGRUYBYDC-UHFFFAOYSA-N 350.396 2.068 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102530491 RIHYVLZKOCDPCH-SCMJLYPYSA-N 350.418 2.295 0 40 FEAB COc1ccc(OCCN2CCN(C(=O)Nc3cccnc3)CC2)cc1 25059257 CUAWBVXBDROKQF-UHFFFAOYSA-N 356.426 2.319 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(NC(C)=O)cc2)c1 25374352 SLVVKRBJLBHKLH-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB CCN1C[C@H](CN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)Oc2ccccc21 107084316 BEPFEKNPDYGUKS-ULQDDVLXSA-N 369.465 2.114 0 40 FEAB CN(Cc1ccco1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 43998252 ODMQBPZUWSERRS-HZPDHXFCSA-N 362.426 2.220 0 40 FEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC2CCCC2)c1 58186151 DOBDCWCAUTVLGF-CMDGGOBGSA-N 369.439 2.111 0 40 FEAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)NCc1ccco1 58173323 DKWZGOFALUCJRE-AWEZNQCLSA-N 351.447 2.275 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1Cc2ccccc2O1 25067174 DPXLAEWIJHJPBX-GOSISDBHSA-N 354.406 2.486 0 40 FEAB Cc1ccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c(C)c1 58192678 QLKLASZMZFAFPF-UHFFFAOYSA-N 357.439 2.295 0 40 FEAB CCCCCN1CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080514 KLRZFBXZTJLVKP-ZWKOTPCHSA-N 364.511 2.308 0 40 FEAB COCCCCNC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58210572 VBXHLNLWFXLAGT-UHFFFAOYSA-N 367.877 2.163 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1ccc(C)cc1 45009222 PJIFBIANERRYGK-PBHICJAKSA-N 360.454 2.410 0 40 FEAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1 10434500 XQKFAOYDPDKWIO-MRXNPFEDSA-N 370.515 2.389 0 40 FEAB Cn1c(Cl)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C 2257518 PSGUKTJIIHRGDL-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB O=C(CCCCCn1nnc2ccccc2c1=O)NCc1ccncc1 36358300 VBHXKMOFPCKFJC-UHFFFAOYSA-N 351.410 2.063 0 40 FEAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 60320002 PHRKLBCNGSXPFF-CQSZACIVSA-N 360.454 2.471 0 40 FEAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCO[C@@H](C)C2)cc1 11497870 CRDGWPAARQQUCP-LBPRGKRZSA-N 362.455 2.254 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 48354822 QNSLRTQSJFCXSV-KRWDZBQOSA-N 353.466 2.076 0 40 FEAB Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@@H]2CCCCO2)c1 11871024 KOMFBMNVSMSKJU-HNNXBMFYSA-N 360.414 2.064 0 40 FEAB CCn1nc(C(=O)Nc2nc(-c3ccccc3)n[nH]2)c2ccccc2c1=O 12850962 UYOOEEAZYNPCNL-UHFFFAOYSA-N 360.377 2.454 0 40 FEAB CSc1ccccc1NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 12891281 FZKJRIUMCSWKDR-UHFFFAOYSA-N 374.418 2.068 0 40 FEAB CC(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 23055167 KCHOCZHQFBYYIW-AWEZNQCLSA-N 361.442 2.073 0 40 FEAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1cccs1 8884395 WWIAFZDOACWMSQ-LBPRGKRZSA-N 352.481 2.331 0 40 FEAB CC1CCN(CCNC(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1 49201902 ZTZGXLGDGJBAHZ-UHFFFAOYSA-N 372.513 2.454 0 40 FEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 8922880 JTOYEBXSZRBZJE-JKSUJKDBSA-N 373.453 2.302 0 40 FEAB Cc1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5000685 AGHAPCLBUIEJGD-UHFFFAOYSA-N 362.407 2.128 0 40 FEAB COc1ccc(NC(=O)C2CCC2)c(NC(=O)c2nccnc2C(=O)O)c1 71289079 JSSDKIWDXXFCIP-UHFFFAOYSA-N 370.365 2.174 0 40 FEAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccccc1NCCO 5278555 VZCUOJOUXWEOAQ-UHFFFAOYSA-N 355.346 2.260 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCc2cccs2)c1C 14018771 ZUZWFFHVDXUQFY-LLVKDONJSA-N 364.423 2.341 0 40 FEAB COc1ccc(N2C(SCC(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6673366 WHULVTWIIUXAGF-CABCVRRESA-N 354.497 2.426 0 40 FEAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 7137246 JAOGZYCXDQKIJB-CQSZACIVSA-N 353.374 2.315 0 40 FEAB Cc1ccccc1CNC(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 7211779 KWIPPGYCVRGFND-UHFFFAOYSA-N 350.374 2.310 0 40 FEAB CCCc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)N3CCCC3)C2=O)cc1 9608761 NGEUIQYZHPLFHK-XOBRGWDASA-N 357.454 2.417 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1F 7671495 LQSZXESBWWFFLR-UHFFFAOYSA-N 373.359 2.490 0 40 FEAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n4ccsc4n3)C(=O)[C@H]2C)cc1 8038206 SCBWLVVZDMFAGB-GFCCVEGCSA-N 368.418 2.422 0 40 FEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@@H](C)O1 95390029 ZZENENKNUPRGAA-BZPMIXESSA-N 354.397 2.384 0 40 FEAB c1ccc(-n2ccc(CNC[C@@]3(N4CCOCC4)CCSC3)n2)cc1 95452910 VGWUWTYAXMLXEJ-IBGZPJMESA-N 358.511 2.170 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)ccc1C 95944200 UJTFQXIRWMVASX-IHRRRGAJSA-N 353.488 2.103 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2ccccc2C)c1 25126280 AVNNYXQPVYPDEZ-UHFFFAOYSA-N 360.479 2.249 0 40 FEAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1C(C)C 20802013 AIAVIKCJSKISMQ-CVEARBPZSA-N 359.426 2.406 0 40 FEAB COC(=O)c1cc(CNC(=O)c2ccc(CNC(C)=O)cc2)ccc1OC 39977603 FKFGXBCJYLASOG-UHFFFAOYSA-N 370.405 2.048 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408592465 KPPWPTACAPFOHW-CQSZACIVSA-N 356.488 2.257 0 40 FEAB CC(C)(C)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1 70641000 YLXPKVOZAVODHU-UHFFFAOYSA-N 365.437 2.157 0 40 FEAB C[C@H]1CN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC2(CCC2)O1 1564909797 DGCJSLWISJKMFF-HNNXBMFYSA-N 373.453 2.360 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21 74584802 CHSMEJPUOWDHIS-UHFFFAOYSA-N 352.799 2.496 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(CC(N)=O)cs1 40043297 HCJDMMAOLCDMID-UHFFFAOYSA-N 356.407 2.316 0 40 FEAB CN(C)c1nccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 224240740 HOIMATVYIVAXEJ-UHFFFAOYSA-N 360.361 2.040 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2nn(C)c3ccccc23)CC1 226755103 YHPCVJABOQGXSG-ZDUSSCGKSA-N 359.426 2.142 0 40 FEAB CCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224765303 VMRANSRNVSYYEH-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB Cn1ccnc1N1CCC(NC(=O)c2ccncc2C(F)(F)F)CC1 328769160 QMPFCEHNPSQCDH-UHFFFAOYSA-N 353.348 2.233 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1 226044590 NTVNXYPZIHNLAC-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)s1 223601633 BBWAFOBQDVEHGT-JTQLQIEISA-N 354.457 2.153 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccnc3)C2)C1)c1ccncc1 96220408 YSPIOCPRKPRPFB-UYAOXDASSA-N 352.438 2.030 0 40 FEAB O=S1(=O)NCC2(CCN(Cc3ccoc3)CC2)COc2ccccc21 96037112 SQEKBDVILPNHNH-UHFFFAOYSA-N 362.451 2.233 0 40 FEAB CCCCS(=O)(=O)N1CC[C@H](CNc2nccc(C(F)(F)F)n2)C1 585080309 GXBHHFGMTODOOA-LLVKDONJSA-N 366.409 2.359 0 40 FEAB COCc1ccccc1CNC(=O)[C@@H]1CN(c2ccc(F)cc2)CCN1 257259583 KYZIWEXTQUJYEX-IBGZPJMESA-N 357.429 2.067 0 40 FEAB Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)c1 257339434 ZBSKVTVOFRCGOW-GUTXKFCHSA-N 365.430 2.037 0 40 FEAB CN1C(=O)CO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 257291769 QIOFLCPIMOXLPA-KBPBESRZSA-N 356.344 2.167 0 40 FEAB COc1cccc(OC)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257257134 KOEKUSVUZNDPPX-NYYTWLDWSA-N 360.454 2.214 0 40 FEAB O=C1NC(=O)N2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]12 540911584 RKOVZMUIELSYEP-SFHVURJKSA-N 369.396 2.141 0 40 FEAB C[C@@]1(NC(=O)c2ccc(Cc3cccc(F)c3)nc2)CCS(=O)(=O)C1 257326249 WWMCINGVVYZLOC-GOSISDBHSA-N 362.426 2.119 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3ccnnc3)C2)n1 257233447 GPHIKNBHNIMPQO-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)cc(N(C)C)n1 257304923 SNRBOKCGLFIWRL-QGZVFWFLSA-N 356.474 2.108 0 40 FEAB Cc1cc(C(=O)Nc2nc(C(=O)NCCOc3ccc(F)cc3)co2)no1 90582950 NQKZSGADEMLAHN-UHFFFAOYSA-N 374.328 2.171 0 40 FEAB Cc1c(C(=O)N2C[C@H]3CCC[C@]3(N)C2)nnn1-c1ccc2ncccc2c1 621689171 DLTBHOKXARLPMP-QRWLVFNGSA-N 362.437 2.077 0 40 FEAB COc1ccc(CN(C)C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1C 654637375 IGAWXVFSKXKAIR-OAHLLOKOSA-N 359.430 2.315 0 40 FEAB CC(C)(C)c1ccc(OCC2CCN(CC3(O)CCOCC3)CC2)nn1 1775965761 GEFBAZLGLLGFLU-UHFFFAOYSA-N 363.502 2.406 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575404599 SKXXDRBVWZCUID-GFCCVEGCSA-N 356.451 2.073 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2ccccn2)no1 585094561 BEQJURZTZNAYMY-KRWDZBQOSA-N 353.426 2.255 0 40 FEAB CCc1nccn1[C@H]1CCCN(C(=O)c2cnc(C3CCNCC3)[nH]2)C1 685942546 ORYOCHRRRCDWTO-HNNXBMFYSA-N 356.474 2.113 0 40 FEAB NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 67788160 YYTYXILUNTXKJS-KRWDZBQOSA-N 366.421 2.349 0 40 FEAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1COCC(=O)N1Cc1ccccc1 70641504 DKLHWYHJHNPQOH-ONUXSRJRSA-N 368.477 2.499 0 40 FEAB CCOC(=O)[C@H]1[C@@]2(C)NC(=O)[C@]1(Cc1ccccc1)c1ccc(O)cc1O2 5496100 ANVBFJBRQCOSFD-DZFGPLHGSA-N 367.401 2.290 0 40 FEAB Cc1cc(NC(=O)CSc2ccc(-n3nc(C)cc3C)nn2)n(C)n1 11142606 NTFWKPPJYPKAGF-UHFFFAOYSA-N 357.443 2.052 0 40 FEAB CCn1ccnc1CN1CCN(c2cc(C)nc([C@H]3CCCN3)c2)CC1 19697969 PSHBQALXXSTRGM-GOSISDBHSA-N 354.502 2.353 0 40 FEAB O=C1CN(C2CCN(c3nc4ccc(F)cc4o3)CC2)C(=O)N1C1CC1 1888873067 HYLVLZDQHHNPFO-UHFFFAOYSA-N 358.373 2.362 0 40 FEAB COC(=O)c1cc(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(C(=O)OC)c1 13778214 GHWHQACDUHQSMW-BETUJISGSA-N 363.410 2.143 0 40 FEAB Cn1ccnc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840172 HZCWJABAQMWUQL-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cn(C)nc3C)C2)cc1C 2037913103 RGQBXYFVRIJBSO-FQEVSTJZSA-N 357.454 2.391 0 40 FEAB CCc1ccc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cn1 1565549988 LSMZDXCRYJWGGF-AOIWGVFYSA-N 353.422 2.490 0 40 FEAB O=C1C[C@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1 5221820 ZHYXXJKHCGJNDH-LBPRGKRZSA-N 352.362 2.049 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C 8863592 KAVGOSZAPQPIFG-OAHLLOKOSA-N 361.467 2.423 0 40 FEAB COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1OC 207963726 UWUVQEOXBPIORT-CYBMUJFWSA-N 371.842 2.369 0 40 FEAB COc1ccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c(OC)c1 19552472 MDNBLJCLVOHJDL-CQSZACIVSA-N 354.454 2.129 0 40 FEAB CC(C)c1c(C(=O)NCc2nnc3ccccn23)cnn1-c1ccccn1 40088177 QEAONBLZNBAXJZ-UHFFFAOYSA-N 361.409 2.363 0 40 FEAB CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O)[C@@H]1CCc2ccccc21 40153322 MFDHKWBNXXWPSS-MRXNPFEDSA-N 370.430 2.220 0 40 FEAB COc1cccc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)c1 20725585 KUQHMMXGLSEKCA-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2)cc1 2665033 KWOLEQASEQWXKY-UHFFFAOYSA-N 373.840 2.475 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 4046922 ZSGTYCIHRTVJIN-LPHOPBHVSA-N 366.373 2.494 0 40 FEAB biogenic CCn1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c(C(N)=O)n1 2803032 SDYGCAPXRKSSKG-JTQLQIEISA-N 359.430 2.393 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 23381512 VAZJYJUISBMXJC-OXQOHEQNSA-N 356.470 2.267 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCO3)cc1 23437825 RATHJZGBJXNTGI-UHFFFAOYSA-N 360.387 2.065 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 23681152 UPYOWGBEVJBIAB-UHFFFAOYSA-N 362.426 2.192 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2CC 57280327 ZHMWEGAQQOBBOP-UHFFFAOYSA-N 354.472 2.036 0 40 FEAB Cn1c(=O)c2ccccc2n2c(CN3CCC[C@H](C(F)(F)F)C3)nnc12 12533365 ZTFWRERWDIQJAA-NSHDSACASA-N 365.359 2.356 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccnc(Cl)c2)CC1 57995606 BQANEMXWKGKKJB-UHFFFAOYSA-N 351.859 2.242 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)cc2C)CCO1 58291489 DLTAOYRGVLLWBK-CQSZACIVSA-N 361.471 2.009 0 40 FEAB Cc1ccc(CN(C(=O)CNS(=O)(=O)c2cccs2)C2CC2)o1 58246679 MJEKEKDNTLFTKA-UHFFFAOYSA-N 354.453 2.119 0 40 FEAB NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)COc1cccc(F)c1 58305311 QQIUODHUAQTLGU-GOSISDBHSA-N 371.412 2.293 0 40 FEAB Cc1cccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C 3376849 XMHLDKPTQXTLNT-UHFFFAOYSA-N 365.477 2.311 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CCN(CCOc2ccccc2)CC1 23718263 LTDOQYKOQWULIQ-UHFFFAOYSA-N 364.442 2.211 0 40 FEAB Cn1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1C(N)=O 28245566 PDFZOCRZOSGCPP-UHFFFAOYSA-N 364.814 2.126 0 40 FEAB CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)s1 12880440 JGDAENHMPFWEIV-UHFFFAOYSA-N 368.484 2.350 0 40 FEAB CSCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C)C(=O)O 3425796 BEXLEGSMNGQUSD-GJZGRUSLSA-N 366.483 2.072 0 40 FEAB CCN(CC)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466742 MEAYDSCJUPCWEI-UHFFFAOYSA-N 365.433 2.350 0 40 FEAB COc1cccc(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)c1OC 13309142 UXZZTNBAXKIJLR-UHFFFAOYSA-N 371.436 2.284 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1Cl 5000076 AOBPADWBSZECGB-UHFFFAOYSA-N 373.796 2.001 0 40 FEAB CN1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1cnccn1)C2 306139751 TZIQIEQEWDWPGD-KRWDZBQOSA-N 358.486 2.220 0 40 FEAB CCCCN1CCCC[C@H]1CNC(=O)Nc1ccc(-n2cncn2)nc1 65516058 MTTYOOXQTKYKRJ-INIZCTEOSA-N 357.462 2.438 0 40 FEAB CCc1[nH]c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC 14110311 JKHPHKZJWIIEGM-UHFFFAOYSA-N 373.361 2.441 0 40 FEAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 4568589 LOLLLATXOOPDNB-AWEZNQCLSA-N 354.472 2.012 0 40 FEAB C[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCO1 14229722 ARBQBVGLAKOPLX-XOBRGWDASA-N 353.422 2.285 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 6581624 VKEGJEJLCRLVHF-UHFFFAOYSA-N 363.435 2.378 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 14351182 ORUKMAGIPLPNCT-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(Cc2ccccc2)C1=O 9009485 GQRGGYPHWJAZEE-OAQYLSRUSA-N 363.417 2.252 0 40 FEAB biogenic CC[C@@H](C(=O)Nc1nnc(C(C)C)s1)n1nnc2ccccc2c1=O 9025714 GIEKDSRFEVLEHS-LBPRGKRZSA-N 358.427 2.356 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccccc2C)c2nn[nH]n2)c(OC)c1 5711796 GYXQDZKTCOWCJU-HNNXBMFYSA-N 367.409 2.490 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc3c(c2)OCO3)cc1 7262559 MJVIANVFUCLTDY-UHFFFAOYSA-N 356.378 2.200 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1 96000649 LNNZIPSNLKVJPV-CYBMUJFWSA-N 364.471 2.094 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n1 68259770 JQHKJQHEQUWSPJ-INIZCTEOSA-N 370.384 2.167 0 40 FEAB COc1cc(C(=O)COC(=O)c2cnc(C)cn2)ccc1OC(F)F 7735701 GPISZFDAMRYOOB-UHFFFAOYSA-N 352.293 2.435 0 40 FEAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 7938896 CFVQRUBHQDRKAA-CYBMUJFWSA-N 366.483 2.184 0 40 FEAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCOCC1 9320784 OPKXVECGQNYWSV-UHFFFAOYSA-N 355.437 2.099 0 40 FEAB COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(C(N)=O)cc1 9386709 ZPPFLGRZLYLPCH-UHFFFAOYSA-N 368.842 2.268 0 40 FEAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Cn3nnnc3C(C)C)[nH]c2c1 81935030 XDDIUGUMLCCXMS-HNNXBMFYSA-N 353.430 2.345 0 40 FEAB Cc1c(NC(=O)[C@H](C)Sc2nccn2C)c(=O)n(-c2ccccc2)n1C 8389822 WTWUKWXFVJKRFC-ZDUSSCGKSA-N 371.466 2.337 0 40 FEAB COc1ccccc1CCNC(=O)CCc1nc2ccccc2[nH]c1=O 72402939 BIBVCZCUVFFLEV-UHFFFAOYSA-N 351.406 2.223 0 40 FEAB O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1c[nH]c2ccccc12 84587926 DUZDHGITBAWCSX-MSOLQXFVSA-N 355.438 2.458 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)nn1 98035931 VXEYUIVCWJJQIR-KRWDZBQOSA-N 355.442 2.124 0 40 FEAB Cc1ccc(NS(=O)(=O)c2[nH]nc(C)c2C(=O)n2nc(C)cc2C)cc1 98212026 IQFXTBRTWRWIKO-UHFFFAOYSA-N 373.438 2.329 0 40 FEAB CCc1onc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 89398027 JYJKZMLQHDOXMZ-UHFFFAOYSA-N 367.427 2.484 0 40 FEAB Cc1cc(OCCN2CCC(CS(N)(=O)=O)CC2)ccc1C(C)C 89587596 IMAKTZCFJAVHRH-UHFFFAOYSA-N 354.516 2.498 0 40 FEAB CCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230923 JERPNQSCSFABEA-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 123680042 GSWMBNYWFHWZNM-QFBILLFUSA-N 372.513 2.481 0 40 FEAB Cn1nc2c(cc1=O)CN(C(=O)N[C@@H](c1ccccc1)C(F)(F)F)CC2 548498774 NMDASECOPSFIIG-HNNXBMFYSA-N 366.343 2.152 0 40 FEAB C[C@@H]1c2nc(CC(=O)N3CC(F)(F)C3)cn2CCN1CC1CCCC1 306134345 NKGKTDZOYPGIAY-CYBMUJFWSA-N 352.429 2.470 0 40 FEAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccccc1Cl 70922993 WPRXIOYUSMQVAU-UHFFFAOYSA-N 366.874 2.325 0 40 FEAB O=C(NC[C@]1(O)CCCc2occc21)c1cncc(Br)c1 1565522649 WNOVWAUEAFRNJE-OAHLLOKOSA-N 351.200 2.391 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217430281 AOCVBGXVXLLLMI-WCQYABFASA-N 356.444 2.053 0 40 FEAB COc1ccc(CCC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482986 PKSJNMLRGNKDHX-UHFFFAOYSA-N 365.393 2.094 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@H](n2cc(Cl)cn2)C1 572176187 OGHXPLHQOMYZQA-HNNXBMFYSA-N 371.832 2.274 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2ccnc(O)c2c1 572276748 FBBORJUGJPGWAN-UHFFFAOYSA-N 368.393 2.134 0 40 FEAB COc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1 224266537 CUQJMILTTREHRB-UHFFFAOYSA-N 356.430 2.189 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(CCc1ccccc1)S(C)(=O)=O 226039696 ZNKICXNQUXKJBY-INIZCTEOSA-N 372.490 2.469 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1ccncc1)C2 96044985 CJNNGGMFTBXTQE-GOSISDBHSA-N 356.470 2.358 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCC(C)CC3)c(=O)cc2OC)cc1 96183154 NNHUMMLHUMSGAM-UHFFFAOYSA-N 371.437 2.186 0 40 FEAB CN1C(=O)CC[C@H](C(=O)NCCCn2cccn2)[C@H]1c1ccc(F)cc1 96181826 BIQMPFVSPYGWNE-FUHWJXTLSA-N 358.417 2.138 0 40 FEAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1ccc(F)cc1)C2)N1CCCC1 247725323 CGVFYTRBLKNIIV-SFHVURJKSA-N 362.445 2.198 0 40 FEAB O=C1CCC[C@]2(CN(S(=O)(=O)C3CCCC3)C[C@H]2c2ccccc2)N1 257256083 KKANIWZIISCYIM-PKOBYXMFSA-N 362.495 2.397 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 374154851 AXVWVOSPALBGPQ-DGCLKSJQSA-N 358.398 2.065 0 40 FEAB O=C(Nc1cnnn1-c1ccccc1)c1cccc(C(=O)N2CCCC2)n1 1610912791 YFNXUXUYDKKMIO-UHFFFAOYSA-N 362.393 2.151 0 40 FEAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C)c2)C1 624181359 MGQIJTYSLRHXLV-GJZGRUSLSA-N 353.488 2.027 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(CN3CCOCC3)cc2)C1 643854956 OXMSJGMISITHAW-MOPGFXCFSA-N 356.470 2.204 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 644073251 NOPIIGHBKMKMSS-CFVMTHIKSA-N 358.360 2.303 0 40 FEAB Cc1csc(C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)c1 390832011 WPMTZYLAAITLRH-UHFFFAOYSA-N 370.434 2.344 0 40 FEAB Cc1occc1C(=O)N1CCn2c(COc3ccccn3)nnc2[C@@H]1C 585097690 PNPGQXQAGVELLH-LBPRGKRZSA-N 353.382 2.371 0 40 FEAB O=c1nc(O)c2c(-c3ccc(I)cc3)c[nH]c2[nH]1 44832054 YGNWVBNWTSLGCI-UHFFFAOYSA-N 353.119 2.228 0 40 FEAB COC(=O)c1ccc(COC(=O)C[C@H](NC(C)=O)c2cccs2)o1 37136563 JXSOGLKPYQUYIN-LBPRGKRZSA-N 351.380 2.438 0 40 FEAB CCN(CC(=O)N[C@](C)(COC)CC(=O)O)Cc1ccc(Cl)cc1 95989845 ICIMXRYTINLDJV-KRWDZBQOSA-N 356.850 2.158 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)nn1 1775995926 NOXKHALECYOZLD-LLVKDONJSA-N 369.347 2.160 0 40 FEAB Cc1cc(C(F)(F)F)ccc1CNC(=O)CN1CCCC[C@H](O)C1=O 644445889 LTIXOAMXCRRTPM-AWEZNQCLSA-N 358.360 2.003 0 40 FEAB CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 675623 MKCQSXQPZFPWFT-UHFFFAOYSA-N 369.512 2.474 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154579 FZFIOCAJKOJNHK-IBGZPJMESA-N 373.384 2.160 0 40 FEAB Cc1ccc(=O)n(CC2(O)CCN(Cc3[nH]c4ccccc4c3C)CC2)n1 12187754 FPJWNBKEJBRBJK-UHFFFAOYSA-N 366.465 2.369 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(F)cc1 13582838 OLYVRQYFPVFUMP-UHFFFAOYSA-N 352.387 2.482 0 40 FEAB CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccc(C)cc21 13654752 BPTCTABPBNGSGB-YVSFHVDLSA-N 352.434 2.473 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 14228954 YDVQARBVTWFQHG-CYBMUJFWSA-N 367.405 2.391 0 40 FEAB CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 19524605 KTINGGLDULRMDS-PCCBWWKXSA-N 354.498 2.074 0 40 FEAB CCn1ccc(C(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)n1 19577986 YRLVSYOYSQGBLL-GFCCVEGCSA-N 359.411 2.228 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)NCc1nnc(-c2nccc3ccccc23)o1 19578839 AFKAEDYYAPVMDM-UHFFFAOYSA-N 362.393 2.484 0 40 FEAB COc1ccc(NC(=O)NC2(C(=O)N3CCN(C)CC3)CCCCC2)cc1 19589696 RFGWYMUPCGDOCW-UHFFFAOYSA-N 374.485 2.294 0 40 FEAB Cn1ncc2c(NCC(=O)NCC(C)(C)c3cccc(F)c3)ncnc21 19719287 VCWWATZTXFHHAT-UHFFFAOYSA-N 356.405 2.008 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1OC 100039755 YJWKFEOPTCAJCT-SCMJLYPYSA-N 353.418 2.299 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565549696 ZTWXEGZCELFOOX-LIRRHRJNSA-N 369.425 2.218 0 40 FEAB COc1ccccc1-c1nnc(NC(=O)c2ccccc2S(C)(=O)=O)o1 4517790 PURSULMEOKPRCL-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)o1 2055750755 WKWZGDJAEYCDIZ-HNNXBMFYSA-N 367.409 2.068 0 40 FEAB CC(=O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 225673892 VZVBQUZIUAJYFO-UHFFFAOYSA-N 367.448 2.243 0 40 FEAB Cc1cc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)no1 575618096 ZEJMCWIYVKZHKO-UHFFFAOYSA-N 353.132 2.319 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 31109638 ARICEVWEOPRBJT-UHFFFAOYSA-N 362.495 2.364 0 40 FEAB CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccco4)C3)nn12 32092331 VYNYIWAEUPGAFN-CQSZACIVSA-N 368.441 2.374 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)CCN2Cc3ccccc3C2=O)n1 20720426 TWQLSYLTSZXIDF-UHFFFAOYSA-N 373.434 2.233 0 40 FEAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@]3(C)C(=O)O)cc1 102347378 QBWUAYJCHYZDMT-LJQANCHMSA-N 364.361 2.164 0 40 FEAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(-c3ccccc3)nc3ncnn13)C2 102449122 WSXJLZFFQUOKOJ-HOTGVXAUSA-N 362.437 2.146 0 40 FEAB CC(=O)N1C[C@H](C(=O)NC[C@H](c2ccccc2)N(C)C)Oc2ccccc21 32819033 IDUOSKUZUIWCTQ-UYAOXDASSA-N 367.449 2.220 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 360200 HOKQFDDYBGCKKI-UHFFFAOYSA-N 350.352 2.364 0 40 FEAB C[C@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(Br)cc1F 79487624 YEVPZTQVAMGLPS-CQSZACIVSA-N 359.195 2.466 0 40 FEAB O=C(CNC1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 4375452 ZLXILZWLHQUTEY-UHFFFAOYSA-N 365.499 2.378 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 7159050 KODBOMDRCINUDZ-UHFFFAOYSA-N 369.240 2.278 0 40 FEAB CC(C)c1ccccc1NC(=O)[C@H](C)N1CCCN(S(C)(=O)=O)CC1 22964382 WPUZFTITQFAPFM-HNNXBMFYSA-N 367.515 2.104 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 23246092 MSKHTGRJFCPQHR-LJQANCHMSA-N 368.481 2.097 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1OC 8243295 LLOPLOQVIUFZFQ-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)c1 47383489 CAFTZDLBEBAIFM-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 23439612 AUHUHIMQGDALLM-UHFFFAOYSA-N 367.404 2.187 0 40 FEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccc(C)cc1 23652655 YVQXJBYUIZCYRD-UHFFFAOYSA-N 373.405 2.152 0 40 FEAB COc1ccc(/C=C/C(=O)N2CCN(CCc3ccccn3)CC2)cc1 54317467 OEQVUSFDCKEHEO-JXMROGBWSA-N 351.450 2.490 0 40 FEAB NC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 9063219 LKBLXGHPUVMKOW-UHFFFAOYSA-N 363.889 2.276 0 40 FEAB CCn1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cn1 24577138 JUYMSCAWZAMYGO-UHFFFAOYSA-N 360.233 2.475 0 40 FEAB Cc1ncsc1CN1C[C@H](C(=O)NCc2cccs2)[C@H]2OCC[C@H]21 108536178 IWTSXHQZMRQILI-SQWLQELKSA-N 363.508 2.419 0 40 FEAB C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 25061876 NNLDAVCAVYDFLH-SLEUVZQESA-N 358.891 2.025 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)n3)CC2)cc1 25392744 YXJRVFOPTQSZHL-UHFFFAOYSA-N 373.478 2.282 0 40 FEAB CCN(CC)CCOc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 56381314 ZMKUBUGQPPQWCN-LJQANCHMSA-N 369.465 2.364 0 40 FEAB O=C(NC1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1)c1ccsc1 56469468 FKIBZRDJUAVCAX-UHFFFAOYSA-N 372.446 2.440 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57478775 LRMYSTFXTPLVGA-UHFFFAOYSA-N 369.446 2.372 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ncccc12 100466730 BOLBRZWHNIBFRJ-ZQXSEBGZSA-N 373.412 2.226 0 40 FEAB COCCn1c(S[C@H](C(=O)N(C)C)C(C)C)nnc1-c1ccncc1 57810822 KDSRTEDBZYSJTO-AWEZNQCLSA-N 363.487 2.191 0 40 FEAB c1cnc(-c2nc(CNC3CCN(c4ncccn4)CC3)cs2)nc1 58023155 AOQLWUOJKGKEOE-UHFFFAOYSA-N 353.455 2.149 0 40 FEAB O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)NCc1cccnc1 58214908 PVNOVXVVRLHAOH-UHFFFAOYSA-N 367.327 2.417 0 40 FEAB O=C(CCC(=O)N1CCC[C@@H]1C(=O)NCC(F)(F)F)c1ccccc1 58224161 QTIWVVMKQLQAFF-CYBMUJFWSA-N 356.344 2.319 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(C)(C)C)C1=O 3377457 YLKYSFMWWNJRSB-UHFFFAOYSA-N 359.426 2.369 0 40 FEAB CN(Cc1ccccc1OC(F)(F)F)c1ncc(S(N)(=O)=O)s1 58413497 ZGIPRKXPSPDBQR-UHFFFAOYSA-N 367.374 2.326 0 40 FEAB COC(=O)c1cc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)oc1C 12740082 MZYOBUZHIMECHA-OAHLLOKOSA-N 359.334 2.208 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc3ncccc3c1)CC(=O)N2 36357249 UJJYRTRMUYDREX-CQSZACIVSA-N 372.388 2.286 0 40 FEAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)C1CCCCC1 12791520 APAFWUXZMLLNFN-DYVFJYSZSA-N 359.422 2.491 0 40 FEAB Cc1cccc(N2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)c1 28892070 DQQISFJPOILYLI-UHFFFAOYSA-N 372.494 2.306 0 40 FEAB O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(N2CCCC2=O)cc1 48355131 NSJGADLKDHQGBH-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 48310219 JBYLDMNSRCAUQJ-HZPDHXFCSA-N 368.481 2.188 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1N1CCOCC1 3432926 BRHZRRNSZMQIGK-UHFFFAOYSA-N 354.332 2.377 0 40 FEAB Cc1ccc(-c2n[nH]cc2CNC[C@H](O)COc2ccc3c(c2)OCO3)o1 63523669 IJUMLMFZYHBGPX-AWEZNQCLSA-N 371.393 2.236 0 40 FEAB Cc1c(NC(=O)CCC(=O)NCCC(C)C)c(=O)n(-c2ccccc2)n1C 13896751 SXQBHZBDKDONOW-UHFFFAOYSA-N 372.469 2.365 0 40 FEAB COCCN(Cc1cccs1)C(=O)CCN1C(=O)c2ccccc2C1=O 14023298 OCAYZEAUPKLDIJ-UHFFFAOYSA-N 372.446 2.409 0 40 FEAB Cc1ccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)cc1Cl 6659538 HWPRQLGQDMMXGH-CYZMBNFOSA-N 352.803 2.016 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCN(C)C)c12 6659280 PJVBGNLKHLQHLO-AWEZNQCLSA-N 360.454 2.499 0 40 FEAB Cn1cc(/C=C/C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cn1 8771911 UGDSQWVRQBBODD-VOTSOKGWSA-N 352.316 2.364 0 40 FEAB CC(C)CNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6758951 OWONZIUKQMOAOX-UHFFFAOYSA-N 354.428 2.008 0 40 FEAB NC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 7141104 WJWNDPLQFUFWAO-UHFFFAOYSA-N 373.718 2.258 0 40 FEAB CN(C)c1nc(N)nc(COc2ccccc2C(=O)Nc2ccccc2)n1 16341301 DIUTWFXXNQZJDQ-UHFFFAOYSA-N 364.409 2.351 0 40 FEAB COc1ccccc1NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939088 BUNBQLSTQIMNCG-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1cccc(Cl)c1 7975248 RNFXLEDQQISILY-UHFFFAOYSA-N 366.801 2.127 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2nn(-c3ccccc3)nc2C)no1 17015683 OXHUEUJRILYAFK-GFCCVEGCSA-N 355.354 2.056 0 40 FEAB CN1CC[C@H]2CC[C@@H](C1)N2c1ccnc(C(=O)NCc2cccnc2)c1 71762692 AGLFVFGVHYYAAP-AEFFLSMTSA-N 351.454 2.080 0 40 FEAB CCCCOCCCNC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 9513885 PXDQXJBZVXBPPL-CQSZACIVSA-N 371.503 2.243 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 9613699 ODCDYHDZBQBABJ-UHFFFAOYSA-N 373.453 2.160 0 40 FEAB CCOCCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409408013 BMOMMRJQBOPKRI-HNNXBMFYSA-N 356.488 2.001 0 40 FEAB COc1ccc(CCNC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 36366819 MKRPULHPLNKLGJ-UHFFFAOYSA-N 357.458 2.381 0 40 FEAB CCn1ccnc1CN(C(=O)CC1(COC)CC1)[C@@H]1CC12CCNCC2 519646599 ALMKACXNQOWCKR-MRXNPFEDSA-N 360.502 2.190 0 40 FEAB CCOC(=O)CN1CCO[C@@H](COc2ccc(Br)cc2)C1 217498508 AMZFFFDZVJTUQN-CQSZACIVSA-N 358.232 2.092 0 40 FEAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 72378831 QLVAHFAZQBSUIC-HNNXBMFYSA-N 352.398 2.498 0 40 FEAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CN(C)C)C2)cc1 72346182 FLYKOPKCBLEEGI-HNNXBMFYSA-N 369.469 2.002 0 40 FEAB COCc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 40111051 HQCJWKVYGPRYMH-LJQANCHMSA-N 353.378 2.140 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1 223173775 QPSOFIRHYDHVDU-UHFFFAOYSA-N 372.447 2.140 0 40 FEAB O=C([C@@H]1CCc2cncn2C1)N1CCN(c2nc3ccccc3s2)CC1 573395336 OVQNSLMWOMXXFD-CQSZACIVSA-N 367.478 2.404 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(OCC(=O)O)cc1 96305784 VZPGZBQHTAXBCN-UHFFFAOYSA-N 351.380 2.268 0 40 FEAB COc1cc(N2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)ncn1 96216545 NALUTPGQVIPWTN-LJQANCHMSA-N 353.426 2.013 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CCN(Cc2ccccn2)C3=O)n1 96046906 IUAUOZZVTMJILK-UHFFFAOYSA-N 364.449 2.440 0 40 FEAB C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccco1 96096363 OFMMPODDMQTOSO-ZDUSSCGKSA-N 360.229 2.228 0 40 FEAB Nc1nc2c(c(N3CC[C@@]4(CCCN(C5CCCC5)C4=O)C3)n1)CCC2 91987876 RTBWQDJSUXWMJH-FQEVSTJZSA-N 355.486 2.309 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1nccs1)C2 96050248 QIEFFAOJSYESJZ-GOSISDBHSA-N 360.458 2.205 0 40 FEAB Cc1cccc(N2CCOC[C@]3(C2)CN(c2ccccc2C)C(=O)CO3)n1 96078313 KUXLUGSOFGINSE-NRFANRHFSA-N 367.449 2.337 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)n1 248088081 KUVCUKZXYWXIAD-QGZVFWFLSA-N 353.422 2.375 0 40 FEAB COCCN1CCC(Cc2cc(-c3cncc(C(=O)O)c3)ncn2)CC1 257241183 HWYZDHKQXUYNTB-UHFFFAOYSA-N 356.426 2.138 0 40 FEAB NC(=S)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252514458 CMQALRVVRMGTGA-BZUAXINKSA-N 361.444 2.257 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC[C@H](C)C1 260746029 QJQVGNFFBOQRFO-YOEHRIQHSA-N 368.499 2.498 0 40 FEAB Fc1ccc(-n2cc(CN3CCC(Oc4cnccn4)CC3)nn2)cc1 628253844 ZNXMYSDAKKEYDE-UHFFFAOYSA-N 354.389 2.240 0 40 FEAB COc1ccccc1N1CCN(Cc2nnc([C@H]3CCCOC3)o2)CC1 644229083 FFJSHHLINHMZCP-HNNXBMFYSA-N 358.442 2.294 0 40 FEAB CN(Cc1ccccn1)C(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644321517 YJMYTYSLXVZMHS-OAQYLSRUSA-N 353.466 2.457 0 40 FEAB CCCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 575425303 XVDBZCXBKGFOAV-OAHLLOKOSA-N 369.483 2.176 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)n1 585104660 KNMLXPBIFCXAFT-OAHLLOKOSA-N 358.467 2.040 0 40 FEAB O=C(Cc1cccnc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111664 ZOJAWTGSLMYHGV-LJQANCHMSA-N 362.433 2.299 0 40 FEAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290679 ZZTOFCYNXILMTM-MBKDTXBISA-N 355.438 2.253 0 40 FEAB CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@H](O)C1=O 585088725 WMUVEVNFOJTVKD-WMZOPIPTSA-N 350.434 2.355 0 40 FEAB Cn1cc(-c2cc(F)ccc2NC(=O)N[C@@H]2CCc3c(nnn3C)C2)cn1 585090728 AVRNUXJMWJWCBU-CYBMUJFWSA-N 369.404 2.034 0 40 FEAB CC(C)c1noc(CN2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)n1 585612859 NCCOHDGUDQIWEX-GJZGRUSLSA-N 354.458 2.429 0 40 FEAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCc2ccccc21 11318058 GNJYQWGQLSCMTP-CYBMUJFWSA-N 373.430 2.225 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1 13673568 IMZISWLQIUDFFJ-UHFFFAOYSA-N 373.478 2.376 0 40 FEAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCc1ccccn1 14001150 LWSLTKRUZZJYMI-UHFFFAOYSA-N 365.368 2.118 0 40 FEAB Cc1ccc(C)c(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c1 15880909 LUIKXTDJMREPQP-UHFFFAOYSA-N 350.426 2.134 0 40 FEAB CC(C)c1nnc(CCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)o1 19714174 XEFGTNUWPMLWDC-UHFFFAOYSA-N 372.425 2.237 0 40 FEAB Cc1cccn2cc(C(=O)Nc3cnn(CC(=O)N4CCCCC4)c3)nc12 19746214 JYBHLQOGKCIYIW-UHFFFAOYSA-N 366.425 2.104 0 40 FEAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9366514 RGXRCOZTKWBYSQ-UHFFFAOYSA-N 359.451 2.018 0 40 FEAB COC(=O)[C@H]1CCc2nnc(-c3ccc(OC)c(Br)c3)n2C1 601044223 KDDBOFZSSDUUTE-JTQLQIEISA-N 366.215 2.452 0 40 FEAB O=C(NCC1CCN([C@H]2CCOC2)CC1)C1(c2ccccc2)CCOCC1 575605303 CXVUZDDMXCDYDH-FQEVSTJZSA-N 372.509 2.352 0 40 FEAB CN(C1CN(c2ccc(C3CC3)nn2)C1)S(=O)(=O)C1CCCCC1 1888854120 WXKUVGHONFXVNV-UHFFFAOYSA-N 350.488 2.137 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)n1)CCC2 1888866949 GKAIUMYLJNWNFC-GASCZTMLSA-N 367.428 2.016 0 40 FEAB Cc1ccc(N2C[C@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@@H]3C2)nn1 1888913736 SOOXIVDHAHEFKP-ROUUACIJSA-N 374.448 2.179 0 40 FEAB COc1ccc([C@H]2Cn3ccnc3CN2C2CCN(C(C)=O)CC2)cc1 2037846572 RIKACEKCANQBMU-LJQANCHMSA-N 354.454 2.460 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)c4csnn4)C2)CO3)cn1 1614933717 JIYNJRGIQLCRDZ-GOSISDBHSA-N 367.434 2.115 0 40 FEAB O=C(CCc1cncnc1)N1CCO[C@]2(CCC[C@@H]2COCC2CC2)C1 1565548462 DIATURWYOLNQNO-UYAOXDASSA-N 359.470 2.234 0 40 FEAB CCc1ccc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)cn1 1565544040 BLVBMESFTGYLCO-UHFFFAOYSA-N 367.453 2.123 0 40 FEAB Cn1ccc(CC(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)n1 1565546347 YJXNYRKQCDRTOL-UHFFFAOYSA-N 358.467 2.070 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCc3ccccc3)cc3c2N1CCC3 4850701 VMMGQGIZQNPWJP-UHFFFAOYSA-N 356.447 2.391 0 40 FEAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1 23106681 XIWKJYMFUVPXKL-OAHLLOKOSA-N 360.483 2.172 0 40 FEAB CCc1cc(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)nc(C2CC2)n1 2086854842 YAGBVBNGVYDVEV-QGZVFWFLSA-N 357.502 2.048 0 40 FEAB O=S(=O)(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cccnc1 206775986 HUDWMKMKVVWYMG-CYBMUJFWSA-N 358.423 2.170 0 40 FEAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1ccn2nccc12 206747084 NEJMKNAXDFTGIJ-UHFFFAOYSA-N 372.372 2.274 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1cccs1 244975150 IDKVVCTZVYSICJ-OAHLLOKOSA-N 368.436 2.160 0 40 FEAB COc1ccc2[nH]cc(CC(=O)N3CCC[C@H]3CN3CCOCC3)c2c1 80911451 LTCFSXWOEKTTDU-INIZCTEOSA-N 357.454 2.042 0 40 FEAB COc1c2c(c(CSc3nnc(N)s3)c(OC)c1OC)C(=O)OC2 12418073 PVEMMOLPTQRLDE-UHFFFAOYSA-N 369.424 2.109 0 40 FEAB CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 40090787 ALLJAEVEYVMQPY-MRXNPFEDSA-N 366.527 2.314 0 40 FEAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1 40069987 MKPLWFJKNJGCNH-LJQANCHMSA-N 369.465 2.177 0 40 FEAB O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCCN1CCOCC1 20001412 IVQNCEZDISHTCX-IBGZPJMESA-N 354.450 2.363 0 40 FEAB C[C@]1(C(=O)O)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102347283 HBFIQUGMXPVEPU-SFHVURJKSA-N 352.325 2.294 0 40 FEAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(Cn2cncn2)cc1 32889868 RXELRLLQGSYHOG-SFHVURJKSA-N 362.389 2.244 0 40 FEAB CCOc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 32818240 KQMQOBXOUGFWKP-UHFFFAOYSA-N 353.378 2.389 0 40 FEAB C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1cccc(NS(C)(=O)=O)c1 52940989 JWOBBCVSVWNRPM-LLVKDONJSA-N 358.423 2.425 0 40 FEAB Cc1ccc(-n2ncc3c(SCC(=O)N4CCOCC4)ncnc32)cc1 1346365 PMJXXCKSCWCDLZ-UHFFFAOYSA-N 369.450 2.075 0 40 FEAB COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)Nc2nnnn21 1438448 CLEPHTRMWURHCK-HNNXBMFYSA-N 361.361 2.107 0 40 FEAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 7940090 KVLIKDBCARVTKJ-OAHLLOKOSA-N 370.405 2.372 0 40 FEAB Cc1sc(NC(=O)CSc2nnc(C)n2N)nc1-c1ccccc1 8306591 MIVJJTDJHXNZCZ-UHFFFAOYSA-N 360.468 2.463 0 40 FEAB NC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1 8316217 LKRRSBBDRALWDE-UHFFFAOYSA-N 361.401 2.236 0 40 FEAB O=C(NCc1cccnc1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819542 WSXHOZCLDMAULB-SFHVURJKSA-N 365.364 2.123 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 912629 VMRKPKSCLUCXBV-HNNXBMFYSA-N 368.499 2.498 0 40 FEAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(F)c3)[C@@H]4C2=O)no1 108234233 QHAUMDGSWYJDRN-ZIGSKRJUSA-N 369.352 2.047 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccccc2o1 21805971 KKKJPVHVPMUELF-HNNXBMFYSA-N 368.389 2.189 0 40 FEAB Cc1cccc(CN2CCC3(CC2)CC(NC(=O)c2cnn(C)c2)C3)n1 108527637 LZLYDQFJYGAXOI-UHFFFAOYSA-N 353.470 2.298 0 40 FEAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)OCO3)c1 28646267 VBZNOZGBKGODCL-UHFFFAOYSA-N 365.411 2.026 0 40 FEAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCC(N)=O 22075695 MVQNXWJYQVERBC-UHFFFAOYSA-N 357.882 2.034 0 40 FEAB CN(CCCNC(=O)Nc1cccc(S(C)(=O)=O)c1)CC(F)(F)F 45985440 PWJLCAWTFWIEFH-UHFFFAOYSA-N 367.393 2.096 0 40 FEAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 8746848 MGQBRRDPNLXINI-HIFRSBDPSA-N 350.484 2.011 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 8734520 CQMCGIYQHXSTHS-QGZVFWFLSA-N 360.435 2.316 0 40 FEAB CCn1nc(C(=O)OCC(=O)c2cccc(OC)c2)c2ccccc2c1=O 8806311 GJTBSPWRFXJKTC-UHFFFAOYSA-N 366.373 2.465 0 40 FEAB O=c1c2ccccc2cnn1CCc1nnc2c3cc(F)ccc3ncn12 13690245 PLUGRDSGYCAQHP-UHFFFAOYSA-N 360.352 2.369 0 40 FEAB CSc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 6052905 BHDWGQCDILZVCD-RUDMXATFSA-N 364.448 2.413 0 40 FEAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cn1 6007497 WARDBFMXWBYCPE-UHFFFAOYSA-N 369.830 2.003 0 40 FEAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 6367439 YPXHTSYGCCYWMH-UHFFFAOYSA-N 373.434 2.448 0 40 FEAB Cc1ccn2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)nc2c1 14083811 OSDRYGWGGAZSNF-UHFFFAOYSA-N 356.470 2.408 0 40 FEAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 14160342 ALUMUZAGYGKXER-GOSISDBHSA-N 365.433 2.117 0 40 FEAB CCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@H]1[S@](=O)CCCCC 4772732 HBDJWXISPOPUAE-ILWKUFEGSA-N 356.575 2.030 0 40 FEAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cn2)no1 96001261 OWYBMLSTLIPBLL-AWEZNQCLSA-N 357.414 2.444 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2)n1 15816222 SLPVPQKPEICVMC-UHFFFAOYSA-N 356.407 2.232 0 40 FEAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc[nH]c1=O 7677070 PYIUKVUBMYZAEJ-UHFFFAOYSA-N 365.183 2.241 0 40 FEAB CCc1cccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 7738054 IZNBWGCGTAYMSE-UHFFFAOYSA-N 360.410 2.036 0 40 FEAB O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN(c2ccccn2)CC1 7737001 UYAVRSWKGFOTDE-OAHLLOKOSA-N 370.478 2.097 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2ccc(F)cc2)NC(=O)N3)cc1 7736448 POPYRXLILCJREG-GOSISDBHSA-N 367.380 2.485 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc(C(N)=O)cc2)c1 16119126 ISBCPYLPNLGIPL-UHFFFAOYSA-N 367.810 2.199 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC 7899721 OQGCGZFIPCTDJY-UHFFFAOYSA-N 374.462 2.292 0 40 FEAB O=C(Cn1cnc2ccsc2c1=O)NCCc1c[nH]c2ccccc12 16331368 OQPWOMMARGTXFL-UHFFFAOYSA-N 352.419 2.298 0 40 FEAB CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 8060753 OTCKFJLEKOGWEJ-UHFFFAOYSA-N 368.484 2.383 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2c(C)noc2C)c1C 9723640 OGDPXHNZIBORHB-UHFFFAOYSA-N 351.428 2.411 0 40 FEAB C[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 97250767 QJNSEEWRALTBPE-ZYHUDNBSSA-N 359.253 2.343 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)NCCNC(=O)c1n[nH]c2ccccc12 84587531 MRSACLQUYDQLBT-UHFFFAOYSA-N 362.433 2.140 0 40 FEAB COc1cc(CC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)ccc1C 95458946 VIYSSCWJUWUNKM-KRWDZBQOSA-N 357.454 2.497 0 40 FEAB NC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 89764423 PPKDOXUSNALAGR-CYBMUJFWSA-N 350.850 2.205 0 40 FEAB Cn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cn1 306136761 QCQUZRFUENXIRT-QFBILLFUSA-N 369.446 2.435 0 40 FEAB CCc1nnc2sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)nn12 20486385 LXSMYOPGARIFID-UHFFFAOYSA-N 363.399 2.026 0 40 FEAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 30924180 KCNNLTSRDVMNIZ-UHFFFAOYSA-N 371.409 2.076 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(N)=O)C1 38805673 SYHZIUNPRUGQJY-UHFFFAOYSA-N 361.423 2.214 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccncc2)N=C1O 36597114 LVJCLIPMMAFJCI-PBHICJAKSA-N 366.421 2.364 0 40 FEAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ncc[nH]2)n1 35425028 FUQSJYHDKRYKEM-AWEZNQCLSA-N 370.413 2.217 0 40 FEAB biogenic,in-vitro Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCCC[C@@H]1c1ncccn1 1558181558 SMHMBZMGGFBSDY-OAHLLOKOSA-N 366.425 2.138 0 40 FEAB C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)Nc2cnn(C)c2)C1=O 556516230 FYAXHWFLYCADHM-MLGOLLRUSA-N 359.405 2.433 0 40 FEAB CCn1cc([C@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21 36741333 KKAODIQHVQABKE-LJQANCHMSA-N 351.454 2.307 0 40 FEAB CCOC(=O)N1CCN(C(=O)Cc2cccc(Br)c2)CC1 123709129 YDZRVSNMBAUOMN-UHFFFAOYSA-N 355.232 2.292 0 40 FEAB Cc1cc(C(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)on1 72348237 PAKYZIDJANLLJB-UHFFFAOYSA-N 350.378 2.388 0 40 FEAB COCCC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 72384800 OOZVKDVZBDEXEW-CQSZACIVSA-N 356.430 2.327 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1 223086203 AEFOIVPJQATTSF-UHFFFAOYSA-N 351.453 2.063 0 40 FEAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCO)c1ccccc1 223545057 CAHVFPGFZFXSTR-FQEVSTJZSA-N 370.449 2.284 0 40 FEAB COc1ccc(NC(=O)[C@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1 225958569 BNGQFZLFZFGOLJ-QGZVFWFLSA-N 366.414 2.237 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 224216593 RCNHRBNGFXVIEN-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)NC1CCCC1)C2 96238221 MMAYFSQNHPIAGC-GOSISDBHSA-N 362.499 2.123 0 40 FEAB COc1cccc(CNC(=O)COC(=O)Cc2ccc(C)cc2)c1OC 95471404 IVIFHMRJWAEXFW-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1)c1cccnc1 96207909 PYJGDCLZXXPRPL-UYAOXDASSA-N 352.438 2.030 0 40 FEAB CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccnc2)[C@H](C(=O)O)C1 96069136 DBLZPJOSUOOSKB-ROUUACIJSA-N 353.422 2.271 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1cccnc1)C[C@H]2c1ccccc1 257267736 MIOPKNXCFQTCCM-CBPXPLCBSA-N 365.477 2.279 0 40 FEAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2ccncc2)C3)n1 253601812 XDHIUVRXKZPCMA-MRXNPFEDSA-N 368.437 2.270 0 40 FEAB O=C(C1CCC(F)(F)CC1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257310150 UDVYWHMRYSRJTA-CQSZACIVSA-N 355.385 2.168 0 40 FEAB CC(C)N(CCN1CCCCCC1)C(=O)C1CCN(C(=O)N(C)C)CC1 585082884 GGXNQFOJLRPSTO-UHFFFAOYSA-N 366.550 2.493 0 40 FEAB C[C@]1(CNC(=O)c2cnc3[nH]c(O)nc3c2)CCCN1Cc1ccccc1 585084704 WCVSKCPRKLRPRB-HXUWFJFHSA-N 365.437 2.448 0 40 FEAB Cc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1C 260815157 STFCWGRQQXEIOG-MRXNPFEDSA-N 368.499 2.145 0 40 FEAB Cc1cccn2cc(CC(=O)N3CC4(CCCC4)OC[C@H]3CN(C)C)nc12 620915193 DXAQIAWZEJFGEJ-GOSISDBHSA-N 370.497 2.287 0 40 FEAB Cc1cccc(C)c1NCc1cn(Cc2nnn(CC(F)(F)F)n2)nn1 641164246 FCDPKOMMDFYYFA-UHFFFAOYSA-N 366.351 2.104 0 40 FEAB CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)C1 668278098 YBSCRAWQJIGOBV-RISCZKNCSA-N 369.439 2.322 0 40 FEAB CNS(=O)(=O)C1CCN(C(=O)c2c(C)nc3ccccc3c2C)CC1 294033496 WUGBKWXZDZXCKL-UHFFFAOYSA-N 361.467 2.005 0 40 FEAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N1CCC(c2ccccn2)CC1 585279649 FFDIOUPMGFGTRN-IEBWSBKVSA-N 359.470 2.061 0 40 FEAB COc1cccc(COCC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 46776763 ANESXSGOMLZRGR-HOTGVXAUSA-N 364.486 2.216 0 40 FEAB COc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCCNC1=O 56977590 CGDLIFWUNBQVEE-HNNXBMFYSA-N 354.410 2.232 0 40 FEAB Cn1nc(N2CCC[C@H](C(=O)N[C@@H]3CCCc4ccccc43)C2)ccc1=O 85470895 SWPCYSCCTOAYTG-FUHWJXTLSA-N 366.465 2.191 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1)C2 630658727 OMTFYRDDOYHBDC-ROUUACIJSA-N 358.438 2.050 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2Cl)NC(=S)N1 5846048 RPESIWDVLZVEKI-CQSZACIVSA-N 369.849 2.131 0 40 FEAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)no1 11739233 ZHWMRKYYPGNRCC-UHFFFAOYSA-N 359.367 2.349 0 40 FEAB CC(C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 12087131 KXSNPKQQSRZKTP-UHFFFAOYSA-N 366.845 2.248 0 40 FEAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 12087593 YPXCTWJYIRAACQ-XOBRGWDASA-N 367.453 2.002 0 40 FEAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)CN2CCCCC2)C1 12158085 QXHARQDMXCMNDF-NVXWUHKLSA-N 364.515 2.045 0 40 FEAB CC[C@@H](C(=O)NCc1ccco1)N(c1ccc(C)cc1)S(C)(=O)=O 13713297 BNPXJCOBIRDDRU-INIZCTEOSA-N 350.440 2.449 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCSc2ccccc2)c1 15136629 INIBWVIZZDHLRT-UHFFFAOYSA-N 350.465 2.117 0 40 FEAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc2ncccc2c1 19402957 UWQQJVSFCRZRMY-UHFFFAOYSA-N 357.373 2.310 0 40 FEAB CCCC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19501498 BEUSQHUBWTUOBR-NRFANRHFSA-N 367.449 2.174 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)nc(O)c2C1 19590225 YWYFQBNQEOVQRB-OAHLLOKOSA-N 358.486 2.456 0 40 FEAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O 19661578 FGANMKKTLGVGJR-ZDUSSCGKSA-N 362.389 2.223 0 40 FEAB COC1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCNCC1 164985107 OZPWCUOUOGPTIE-UHFFFAOYSA-N 351.410 2.128 0 40 FEAB CC(C)OC[C@H]1CN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)CCO1 547783534 KXPARNPUDGGHHS-OAHLLOKOSA-N 360.458 2.293 0 40 FEAB Cn1cccc1[C@@H](CNS(=O)(=O)c1cccc(F)c1)N1CCCC1 11846912 QEKNXEHXBHWSNU-QGZVFWFLSA-N 351.447 2.280 0 40 FEAB CN(C)CCn1nc([C@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 19583099 NSEWPJKSQOBKHI-INIZCTEOSA-N 364.453 2.018 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@H]3C2)nn1 1888890291 MOLAXLJFQACPCM-QZTJIDSGSA-N 351.454 2.105 0 40 FEAB COc1cccc2sc(N3CCN(Cc4ccn(C)c(=O)c4)CC3)nc12 1849282452 FBEGHJBAIKOGHN-UHFFFAOYSA-N 370.478 2.326 0 40 FEAB Cc1ccn2c(=O)cc(CN3C(=O)N(C)C4(CCCCC4)C3=O)nc2c1 21585715 ZZTPCGNVXIUSIX-UHFFFAOYSA-N 354.410 2.100 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565549694 ZTWXEGZCELFOOX-IFXJQAMLSA-N 369.425 2.218 0 40 FEAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 11853354 QXQBPBNLIBKBMV-UHFFFAOYSA-N 367.449 2.357 0 40 FEAB O=C(NC[C@H]1C[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2O1)C1CCC1 2055713768 JJLZCQJGZQQYKL-OIISXLGYSA-N 362.857 2.486 0 40 FEAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(O)nn1 38787384 PXTLKHZAKPTJJX-UHFFFAOYSA-N 362.393 2.492 0 40 FEAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2377489 ARIRVMSWRDGEGN-UUSHBHDWSA-N 371.433 2.491 0 40 FEAB C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc2ccccc12 29122406 CNNZWKAGMCDPFX-GFCCVEGCSA-N 357.435 2.317 0 40 FEAB CNC(=O)c1nn(CCOc2ccccc2Cl)c(=O)c2ccccc12 40047169 PTWXQWVBYYPOTD-UHFFFAOYSA-N 357.797 2.489 0 40 FEAB CN1C(=O)N(CC(=O)N[C@H]2CCc3ccccc32)C(=O)C12CCCCC2 40015958 BAFGIPDACKPOKS-INIZCTEOSA-N 355.438 2.387 0 40 FEAB COc1cccc(CO[C@H](C)C(=O)NCc2ccnc(-n3cccn3)c2)c1 40094004 GOHOVRNEGBJXTB-OAHLLOKOSA-N 366.421 2.497 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccccc2Br)C1 40068842 ZUXJHRRMEUHZKM-NWDGAFQWSA-N 367.243 2.097 0 40 FEAB CCOc1ncccc1CNC(=O)c1sc2ncn(C)c(=O)c2c1C 31324468 AEVGISBVVOUXRS-UHFFFAOYSA-N 358.423 2.027 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]23)cc1OC 100835081 PUIUPDBRYKRYQZ-WBVHZDCISA-N 370.336 2.135 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2)c1 101680685 UURGZRGMLCCRKB-YQQAZPJKSA-N 365.433 2.247 0 40 FEAB Cn1c(S)nc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2c1=O 102179533 HZBHXTHJHQGXQY-AWEZNQCLSA-N 367.430 2.476 0 40 FEAB COc1cc(CN(C)CC(=O)Nc2nncs2)ccc1OC(F)F 52929173 JXYZVXGPMTYOOG-UHFFFAOYSA-N 358.370 2.219 0 40 FEAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 77675999 GSVYBDTVYNSMMO-NSHDSACASA-N 365.373 2.270 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 2731458 YOMSUTUJJXGCQM-SDSIWUNFSA-N 357.797 2.252 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c(F)cccc1F 6200750 GDQSXEZRKNPECQ-VIFPVBQESA-N 358.341 2.409 0 40 FEAB C/C(Cl)=C/Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 801675 NMPQVGJEJMTXFG-XFXZXTDPSA-N 373.844 2.188 0 40 FEAB CCNc1nc(NCC)nc(S[C@@H](C(C)=O)C(=O)Nc2ccccc2)n1 985033 UYVHJINDVBEFHI-ZDUSSCGKSA-N 374.470 2.424 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262129 CSIGBVXERKSSJS-NEPJUHHUSA-N 350.850 2.053 0 40 FEAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(F)c1 23977138 BBSYLNPUSLTMKE-HNNXBMFYSA-N 370.471 2.239 0 40 FEAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1 9939484 IXLZLXWOKSJALX-JKSUJKDBSA-N 372.446 2.332 0 40 FEAB O=C1CCCN1C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 12552534 ASBQZJITESJNIP-UHFFFAOYSA-N 371.393 2.413 0 40 FEAB NC(=O)[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccccc1 10268149 OBYRNUUMRMSCOU-KRWDZBQOSA-N 355.419 2.156 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)N1CCC[C@@H](C)C1 58218201 DNEBEFYWJLSANR-CYBMUJFWSA-N 355.438 2.424 0 40 FEAB C[C@@H](c1ccccc1)N(C)C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 12679388 FCTNPQJIUDFVBM-HNAYVOBHSA-N 351.450 2.118 0 40 FEAB COc1ccc([C@H](CNC(=O)Nc2cccnc2)N2CCOCC2)cc1 24535595 PQICPFVCBZFPMY-SFHVURJKSA-N 356.426 2.285 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cn2cccn2)c2ccccn2)CC1 100750371 XENFLZCJLHJRLK-QKLQHJQFSA-N 369.469 2.078 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139422 SWWRQOKGUXRSJE-FXAWDEMLSA-N 353.470 2.307 0 40 FEAB NC1=Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 48356225 SCDMVJNVOSDYMK-KRWDZBQOSA-N 373.376 2.251 0 40 FEAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCn1ccnc1 48363983 SUNJDIKEHUOECT-ZDUSSCGKSA-N 350.831 2.156 0 40 FEAB COc1cccc(C(=O)NCCNC(=O)c2ccc(Br)o2)c1 12981527 XHXFXGBZVUUADP-UHFFFAOYSA-N 367.199 2.211 0 40 FEAB CCCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1=O 12984995 HKKGXTJEBVIBOF-DNVCBOLYSA-N 362.426 2.130 0 40 FEAB O=C(O)C[C@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(F)cc1 13182964 QIEPSVCBRWDWPA-NWDGAFQWSA-N 362.386 2.470 0 40 FEAB COc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc2c1OCCO2 13427849 LYOFOVFSQUSXOH-CQSZACIVSA-N 357.362 2.412 0 40 FEAB CC(=O)Oc1ccccc1C(=O)OC1=CN(C)S(=O)(=O)c2ccccc21 13629823 ICNJUSMXPOUKQO-UHFFFAOYSA-N 373.386 2.401 0 40 FEAB COc1ccccc1N1C(=O)C=C(N2CCN(c3ccccc3)CC2)C1=O 4737131 UORVUJSLZXTAGO-UHFFFAOYSA-N 363.417 2.275 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2c(c1)COC2 69092957 AISPFDKKYZPTIS-HNNXBMFYSA-N 361.419 2.177 0 40 FEAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(C(N)=O)cc1 16732170 NPQYQVVHKABDRL-UHFFFAOYSA-N 361.448 2.216 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1ccc(Oc2ccc(F)cc2)cc1 8522766 UYOCGXPSDYEHNF-UHFFFAOYSA-N 358.325 2.327 0 40 FEAB CN(CCOCC1CC1)C(=O)c1cccnc1I 95983237 IQWGWYZRUBPJAH-UHFFFAOYSA-N 360.195 2.185 0 40 FEAB CC(C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859213 YLDVNOFSRRYFSS-AWEZNQCLSA-N 360.863 2.029 0 40 FEAB O=C(Cc1noc2ccccc12)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679699 URWJCZYPGBHPJO-OCCSQVGLSA-N 373.434 2.493 0 40 FEAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408552645 MHVGWIOCJZHRIJ-QWRGUYRKSA-N 362.879 2.320 0 40 FEAB COc1cc2c(cc1OC)[C@H](NC(=O)COc1coc(C)cc1=O)CC2 524729348 PMNZUQDFZHLTOC-CQSZACIVSA-N 359.378 2.148 0 40 FEAB biogenic Cc1c(C(=O)N(C)CCc2ccncc2)sc2nc(C)n(C)c(=O)c12 31865667 YNJFMIBHQYTOBK-UHFFFAOYSA-N 356.451 2.322 0 40 FEAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(Br)c1 61649316 FBMPDFSKWVUAEU-UONOGXRCSA-N 357.223 2.181 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccccn2)CC1 34888575 MUTKGAHLYPEZJF-UHFFFAOYSA-N 357.479 2.471 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 72390954 ZRLIYCYJNCLMIU-KBPBESRZSA-N 370.428 2.045 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980359 UKUMCTINWIEXLH-HNNXBMFYSA-N 366.845 2.468 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC1Cc2ccccc2C1 40268392 ZQFKVXVDCFMFOG-UHFFFAOYSA-N 363.392 2.333 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 47812136 XHFQZFVFRUXTKT-CQSZACIVSA-N 368.389 2.230 0 40 FEAB CC(C)[C@@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3ccccc3c(=O)n21 49181902 CPKFZDMLHUUGSC-UTKZUKDTSA-N 363.417 2.111 0 40 FEAB biogenic,in-vitro CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)c1 225850948 NLINQNZCZMHSJM-UHFFFAOYSA-N 366.527 2.489 0 40 FEAB O=C(CCN1Cc2ccccc2C1=O)NC[C@H]1CCCN2CCCC[C@H]12 225411603 HJNYMOMIINEGJR-VQIMIIECSA-N 355.482 2.413 0 40 FEAB biogenic CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)C1 223201898 NGCORUDRTSVNNX-OXJNMPFZSA-N 357.454 2.333 0 40 FEAB CN1CCN(Cc2nc(C3(O)CCN(C4CCCC4)CC3)cs2)CC1 225471604 HWPBFSSPFVENKB-UHFFFAOYSA-N 364.559 2.117 0 40 FEAB biogenic,in-vitro CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(C)c2)ccc1OC 222912601 VPVVEVALSJJWGF-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB COCCNC(=O)[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 96111127 OMGBKPBETHAEOE-QGZVFWFLSA-N 350.434 2.102 0 40 FEAB COCC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 96111612 IYTMIDXIDQGCNE-WMZOPIPTSA-N 366.417 2.228 0 40 FEAB biogenic,in-vitro CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 96227454 JQJPFNIZFXLFIT-FXAWDEMLSA-N 356.470 2.404 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4cccn4C)C3)C2=O)c1 96050676 XBSGRFBJIGUBAC-NRFANRHFSA-N 367.449 2.299 0 40 FEAB CN(C)c1cc(NC(=O)N2CC[C@]3(CCNC3)C2)ncc1Br 333281702 HRWSVRUOKXTDCE-HNNXBMFYSA-N 368.279 2.127 0 40 FEAB CC(C)CC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251264 PITYKKYPVGNTPK-UWJYYQICSA-N 372.513 2.261 0 40 FEAB COc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 242664831 CUADACNKTVQWGW-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB Cc1cc(C[C@H]2COCCN(C(=O)CCc3c(C)noc3C)C2)ncn1 257263004 LNYDAWNVCBOIJN-MRXNPFEDSA-N 358.442 2.040 0 40 FEAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257234908 GVOMIRQYKKJVTA-LJQANCHMSA-N 358.417 2.028 0 40 FEAB CC(=O)N1CCCN(C(=O)c2c(-c3cccs3)noc2[C@H](C)O)CC1 253409173 ZTTAEVNNRXGRJJ-NSHDSACASA-N 363.439 2.151 0 40 FEAB biogenic,in-vitro CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257259016 KWLDEGLWBHAWOO-SFHVURJKSA-N 356.426 2.229 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccsc2)c(C)c1 618254889 GIGUCCPCFJFJGJ-MRXNPFEDSA-N 355.481 2.337 0 40 FEAB O=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccco2)n[nH]1 90703350 WVFOWAUEUQHFBG-UHFFFAOYSA-N 354.395 2.284 0 40 FEAB NC(=O)c1ccc(OCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 614382259 UIGGLLXVMUBPOP-UHFFFAOYSA-N 363.299 2.359 0 40 FEAB CN1C(=O)CCc2cc(C(=O)NCc3ccc4c(=O)cc[nH]c4c3)ccc21 1635384742 INOIDGUGSNBWTI-UHFFFAOYSA-N 361.401 2.367 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cnccc1N(C)C 617588686 BKIKKMQWFGUXKT-KBXCAEBGSA-N 357.458 2.262 0 40 FEAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]21 630175037 PJVBRNNMCYCQMV-XDQVBPFNSA-N 350.212 2.410 0 40 FEAB C[C@H](C(=O)Nc1cccc2ccccc12)n1cc(CN2CCOCC2)nn1 640818050 AZCHDCGGMVYLNE-OAHLLOKOSA-N 365.437 2.463 0 40 FEAB COc1ccc(C[C@@H](C)CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc1OC 664551473 TUBNVVZQCWSQHU-WBMJQRKESA-N 372.412 2.294 0 40 FEAB CO[C@@](C)(CNC(=O)C(=O)NCc1ccco1)c1cccc(Cl)c1 96393035 HLKSGFDFOWSRNE-KRWDZBQOSA-N 350.802 2.227 0 40 FEAB C[C@]1(c2cnccn2)NC(=O)N(Cc2cc(F)ccc2OC(F)F)C1=O 585093534 PDUSTLLQZLODBF-MRXNPFEDSA-N 366.299 2.184 0 40 FEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(F)cc1 28914916 UQJFDCNLAIRKFX-CQSZACIVSA-N 370.428 2.327 0 40 FEAB CN1N=C(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)CCC1=O 56132326 VVPZVUFQGIAFNV-INIZCTEOSA-N 353.426 2.235 0 40 FEAB CC(=O)N1CCCN(C(=O)NCCOc2cccc3ccccc23)CC1 79662081 ABDGPNUKJUWVCI-UHFFFAOYSA-N 355.438 2.482 0 40 FEAB CCC(CC)(NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)C(=O)OC 512491234 SHGOSGBRFQYYQM-MRXNPFEDSA-N 364.442 2.111 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4cccs4)nn23)C1 1501040387 OWPTWANVXSKDOT-SECBINFHSA-N 369.497 2.053 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](COc2ccncc2)C1 1775970299 APUUKINTRCXOLK-HNNXBMFYSA-N 374.462 2.496 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccc(Cl)cc1 5873887 PIEVZCDGLRWUGH-UHFFFAOYSA-N 366.801 2.127 0 40 FEAB c1csc(-c2nc(NC[C@H]3COCCO3)ncc2-c2cnccn2)c1 12186290 SALDYAQBQKYZEY-LBPRGKRZSA-N 355.423 2.489 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2[C@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)n1 12408108 DTNSRNFFBSGRMH-HFTRVMKXSA-N 371.412 2.149 0 40 FEAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccn1C 12912109 UTHFUULLBUYXCV-UHFFFAOYSA-N 350.216 2.498 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccccc1 13016347 ZNIAFRWLQHTXIM-OAQYLSRUSA-N 363.417 2.302 0 40 FEAB CN(C)N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 19172941 CHPHQWPKZOHMMA-MRXNPFEDSA-N 353.875 2.426 0 40 FEAB COc1ccc(OC)c([C@H](O)CN2CCN(Cc3ncccc3C)CC2)c1 19237816 PVFQRCIFCSZMRE-HXUWFJFHSA-N 371.481 2.258 0 40 FEAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)[C@H]1CCCO1 19343998 NQEZCGNIWJLZQD-OAHLLOKOSA-N 369.450 2.364 0 40 FEAB O=C(CCc1ccccc1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19370858 RRSVBQXBYVEJPC-KRWDZBQOSA-N 350.466 2.461 0 40 FEAB CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCC/C=C/1C(=O)OC 5105736 DVEZQQPWLQWKCS-FHLIRTJZSA-N 354.399 2.122 0 40 FEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccc2nsnc2c1 1888982187 SSLVEAYLDDIKIC-QGZVFWFLSA-N 365.418 2.340 0 40 FEAB CCn1cc(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 2037978227 JOCCHLYXKUNZJU-FQEVSTJZSA-N 372.444 2.358 0 40 FEAB CO[C@H]1CCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)c2ccccc21 1565556678 POEJTJSICNQMRJ-KRWDZBQOSA-N 365.495 2.463 0 40 FEAB COc1cc(F)c(S(=O)(=O)N2CCOc3ccccc32)cc1OC 4751742 YUARQBLLQYRZMT-UHFFFAOYSA-N 353.371 2.431 0 40 FEAB CCOc1ccnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 9571957 QNVTUIUXDTYZMJ-UHFFFAOYSA-N 363.776 2.335 0 40 FEAB Cc1ccccc1C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055772600 AVXCCQPBAGOOES-HNNXBMFYSA-N 355.438 2.103 0 40 FEAB O=C(NCC1CCN(C2CCCC2)CC1)C(=O)Nc1ccc2c(c1)OCO2 23127381 YCZBKVMIZWLVRE-UHFFFAOYSA-N 373.453 2.125 0 40 FEAB COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19569900 JWDYHZCUGRLSEU-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 40082104 RIKSENJWSOQKEY-MOPGFXCFSA-N 357.498 2.448 0 40 FEAB Cc1ccc(OCc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1 32197032 RSNJZZIBTDTFPC-UHFFFAOYSA-N 373.478 2.297 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2C)cc1 21031805 UNYAJOPDOVZMGY-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 21057196 CMAQTJUHSAJARI-ZIAGYGMSSA-N 357.454 2.146 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](CN(C)C)c1ccccc1 32781277 JFKPHPMRZGMGTG-GOSISDBHSA-N 360.479 2.431 0 40 FEAB CC(C)(C)c1noc(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)n1 32994262 DRSDPHDCNQZTEG-UHFFFAOYSA-N 351.428 2.342 0 40 FEAB O=C(Nc1ccccc1OC(F)F)C1=NN(c2ccccc2)C(=O)CN1 32940837 PLLUBVYBKBTZNP-UHFFFAOYSA-N 360.320 2.176 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 17815660 XXWURQBMPAOXFL-UHFFFAOYSA-N 360.435 2.196 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1C 4325430 HYLBJKKXHDSVNW-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB aggregator O=C(/C=C/c1ccc2c(c1)OCCO2)NS(=O)(=O)c1cccs1 42244454 UGRUYZJJCPYINM-GQCTYLIASA-N 351.405 2.038 0 40 FEAB O=C(COc1ccc(F)cc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 23640526 JVQMYSITIYMMNO-AWEZNQCLSA-N 356.825 2.181 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 23712673 DLTHQMCDPOTEEJ-UHFFFAOYSA-N 372.490 2.485 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030096 GJIPUUZAJZMELU-CJNGLKHVSA-N 362.426 2.294 0 40 FEAB COc1ccc(Cl)cc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 54994496 ZBOLKUFPYZTSLS-AWEZNQCLSA-N 352.862 2.419 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 104346202 NQLWYFZDXOVUAU-KRWDZBQOSA-N 358.438 2.210 0 40 FEAB CCOc1cccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 106836685 WXZWHMDDCLOECZ-UHFFFAOYSA-N 351.410 2.319 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCN(c2nc(C3CC3)ns2)CC1 72307773 HPFWGDIZGFWAKX-UHFFFAOYSA-N 364.496 2.068 0 40 FEAB CCc1cc2c(N3CCCN(CC(=O)NC(C)C)CC3)ncnc2s1 26706031 MLROTYLBAOKCEZ-UHFFFAOYSA-N 361.515 2.290 0 40 FEAB Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(C)c(=O)c2[nH]1 57521674 FHLLMAPZIVUASL-AWEZNQCLSA-N 368.462 2.466 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022716 MOGSXEWGLBUTSV-CQSZACIVSA-N 368.466 2.257 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc(CC(N)=O)cs1 10909448 OUINGSRBNMDCGB-UHFFFAOYSA-N 355.423 2.226 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)C1(c2ccc(Cl)cc2)CC1 58821595 CBFYIWXHKUOXEL-UHFFFAOYSA-N 358.891 2.159 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cc(F)ccc2n1 2420310 CABHJUZBDRNEAF-UHFFFAOYSA-N 351.385 2.435 0 40 FEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417098 PYVNHVSDBNFQAE-BONVTDFDSA-N 366.849 2.488 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccc4c(c3)NC(=O)CO4)ccc21 12760038 CMXJHTXZFKWHTG-UHFFFAOYSA-N 351.362 2.179 0 40 FEAB CC(C)(CNC(=O)COc1ccc(Br)cc1)N1CCOCC1 13135283 GIIUWDTZBHKELK-UHFFFAOYSA-N 371.275 2.055 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cncc(Br)c2)no1 8777592 JVKWSXAUMCDKJA-QMMMGPOBSA-N 354.160 2.325 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)On2nnc3ccc(Cl)cc32)cc1 14092959 DHSGDCTVLQPXJH-JTQLQIEISA-N 373.800 2.499 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(Cl)c1 28208009 LJYXGNYNERAKDS-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccccn1 9355352 OFKDJSPFEZUXIZ-UHFFFAOYSA-N 367.327 2.372 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7325439 UJHVKVAYTSGCIJ-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9364538 ZMOZJUGHXZSNLO-MGPUTAFESA-N 367.405 2.240 0 40 FEAB Cc1ccc(C2=CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1 9481988 JXVBHRLBAYGSGZ-OAQYLSRUSA-N 367.449 2.331 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n[nH]c1=O 17231639 JIMUGVTXBYINDR-NSHDSACASA-N 374.466 2.254 0 40 FEAB Cc1ccc(N[C@@H](C)C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCC1 9646994 MLKBTMPBIVQLFR-HNNXBMFYSA-N 367.515 2.495 0 40 FEAB O=C(CSc1nnnn1C1CCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 9638322 AARYAOSVDFEDGA-UHFFFAOYSA-N 374.470 2.327 0 40 FEAB Cc1cc(C)c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c(C)n1 97214130 CWLVRXYFXZSKDR-MRXNPFEDSA-N 351.410 2.066 0 40 FEAB O=C(Nc1cccc2c(O)nccc12)[C@H]1COCCN1CC(F)(F)F 556676221 NTBJJULNACFYSU-CYBMUJFWSA-N 355.316 2.142 0 40 FEAB C[C@H](CC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)S(=O)(=O)c1ccc(F)cc1 519583853 GIZZFOSANPNJFG-WQVCFCJDSA-N 369.458 2.261 0 40 FEAB CCC(=O)N1CC[C@H](Nc2ccc3nnc(-c4cccc(F)c4)n3n2)C1 527934709 WZOCWNPYPWHYOI-AWEZNQCLSA-N 354.389 2.353 0 40 FEAB Cn1ncc(C(=O)O)c1S(=O)(=O)NC(C)(C)Cc1ccccc1Cl 530148501 FXMUDWVLYWUWTH-UHFFFAOYSA-N 371.846 2.071 0 40 FEAB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3nccn3C)n2)cc1 72321975 ABEWVTGCSUGJBA-KRWDZBQOSA-N 353.426 2.392 0 40 FEAB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)cc3C)C2=O)o1 34690950 LGICIWMLCWXIGA-DHDCSXOGSA-N 370.361 2.476 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 36740055 YRZSGKKPOBJZAB-NXEZDXNNSA-N 366.527 2.409 0 40 FEAB COc1cccc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 44443108 YQCGBHXSZNPPIQ-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB CCOC(=O)C1CCN(C(=O)CSc2ccc3c(c2)OCCO3)CC1 40159221 JKWXAHKFIYLPMP-UHFFFAOYSA-N 365.451 2.352 0 40 FEAB O=C(c1nc2ccccc2s1)N1CC(c2nc(-c3ncccn3)no2)C1 49483005 XWSORDOFDHZTCG-UHFFFAOYSA-N 364.390 2.376 0 40 FEAB CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 226046466 QYFQQGWSPRSFJP-UHFFFAOYSA-N 356.463 2.389 0 40 FEAB Cc1noc(-c2cccn3c(CNC(=O)Cc4cccs4)nnc23)n1 225748725 BZUQTDLZFQHADX-UHFFFAOYSA-N 354.395 2.008 0 40 FEAB CS(=O)(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(F)cc1 225945146 AWJBZUOBYPJTQR-QGZVFWFLSA-N 364.442 2.165 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl 223834058 ZTCIBMWMRWFYDJ-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB CCOCCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225741780 NRMDXNMCWGBMPV-UHFFFAOYSA-N 367.243 2.307 0 40 FEAB CN(Cc1ccccn1)[C@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1 96158698 RPKZARFCBKLXJH-LJQANCHMSA-N 355.486 2.071 0 40 FEAB CCOC[C@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C 96207574 DTBOIVCZKWYSJK-MRXNPFEDSA-N 352.500 2.341 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)c[nH]2)sc1CC(C)C 95475728 PRHYNXCABIRGCU-UHFFFAOYSA-N 365.411 2.077 0 40 FEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([C@H]2CCCNC2)c1 95370691 AFOLVPWCPITKTB-INIZCTEOSA-N 350.422 2.253 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cc1 96062358 TWAQGVYWUZDTHJ-OAQYLSRUSA-N 370.497 2.153 0 40 FEAB Cc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 243682030 PHIGNWNGCODDMR-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C1CCCC1 253590952 HVOGJUQMSHOJPW-OAHLLOKOSA-N 353.470 2.456 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257292360 QLDALMAGWJNRLO-LJQANCHMSA-N 354.454 2.384 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cnccn3)CC2)C[C@H]1Cc1ccccc1 257219007 DFFYYLYULSDGOM-QGZVFWFLSA-N 364.449 2.172 0 40 FEAB Cc1ncc(CNC(=O)c2ccc3[nH]cnc3c2)c([C@H]2CCCN2C)n1 257243103 IFMDZLWZGKFGPD-QGZVFWFLSA-N 350.426 2.358 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCC3CSC3)cc2)c1C 597747243 APXAVONPFXTNBY-UHFFFAOYSA-N 359.451 2.450 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](OCC(F)(F)F)C1 612991989 SKVAMPOZAGBYSO-CYBMUJFWSA-N 370.335 2.238 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Cn2cccn2)cc1 623082490 OHGPLZHLXODFNM-IAGOWNOFSA-N 366.425 2.317 0 40 FEAB Cn1ccnc1[C@@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@H]1N 1615591993 QGRLJLOQFVYNIQ-ZIAGYGMSSA-N 353.451 2.111 0 40 FEAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 673735574 AJBMYZYPYRAMFH-NSHDSACASA-N 358.364 2.115 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1)c1ccccc1 390827519 ZAVDZXFUACLTHT-VBKZILBWSA-N 368.389 2.102 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)c1 585271624 IANHYXZZVMSPKC-OAQYLSRUSA-N 355.434 2.279 0 40 FEAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1CCCO1)C2 585107509 YOCZQLBIVGRNSR-OXQOHEQNSA-N 352.438 2.319 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2oc3c(C)cccc3c2C)C1 685941550 ZARCMOURTPFGTC-JSGCOSHPSA-N 358.394 2.101 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(OC)c1 45950556 PMMNTQTUNIWOIU-ZDUSSCGKSA-N 361.423 2.404 0 40 FEAB CC(C)N(CCCNC(=O)CSCc1cccs1)S(C)(=O)=O 47043722 AJBBRNDSFIIICU-UHFFFAOYSA-N 364.558 2.158 0 40 FEAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)CCO2)cn1 97012907 JFXQJUXVBGRMNN-SFHVURJKSA-N 361.467 2.061 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@](O)(COc3ccccc3C)C2)on1 1615144666 HCPCBDSIBCWMNG-HXUWFJFHSA-N 374.437 2.357 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)NC(C)C)CC1)CC(=O)N2CC1CC1 1772596125 HQAIHNGOPOIDDV-UHFFFAOYSA-N 359.474 2.247 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2N)no1 12985692 UZWKXMQKEQTXDA-SNVBAGLBSA-N 350.448 2.455 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006870 JSXQDDYBWAZJNX-UHFFFAOYSA-N 367.449 2.375 0 40 FEAB COC(=O)[C@H](C)OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16223643 WIMHQDLOBMMLLI-LBPRGKRZSA-N 367.357 2.201 0 40 FEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 19461806 POMGNNQCGADPQH-WJFKRZNGSA-N 354.454 2.382 0 40 FEAB COc1cccc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)c1 19565464 PSQWSFZCLAYTDX-UHFFFAOYSA-N 354.454 2.327 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H]2C(C)C)cc1OC 551915967 NJKMCTCDQHAMFH-MLGOLLRUSA-N 371.455 2.132 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 3459623 MCCUIFZZMXFWIQ-HXUWFJFHSA-N 355.438 2.460 0 40 FEAB Cc1noc(C)c1CCC(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 7146763 FXYPOMLZQBSJOT-ZDUSSCGKSA-N 374.393 2.201 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)c1 1889139339 LAVICOYJFVMENG-KDOFPFPSSA-N 353.422 2.450 0 40 FEAB O=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2ncccc2c1 238966449 YZLOUCRPXQEPRV-UHFFFAOYSA-N 361.401 2.386 0 40 FEAB Cc1ccnn1CCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913048 MVDRZDLVRMBMBA-IBGZPJMESA-N 361.417 2.153 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 4941354 YBWGOPQHXYPMSP-INIZCTEOSA-N 362.426 2.216 0 40 FEAB O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccnc1 9844254 SURSICZSMKNCPF-UHFFFAOYSA-N 354.797 2.389 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(OC)c(OC)c1 10255882 GVGSMVITPKFYJT-CCCPALQASA-N 366.417 2.421 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NC)cc2)cc1F 13850631 SJXIDFCBKREREL-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccncc2)CC1 2055730145 DLUWOFDPQKCBIZ-UHFFFAOYSA-N 370.428 2.396 0 40 FEAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1 22765959 QTYSVNHEIHQVSM-QGZVFWFLSA-N 364.442 2.456 0 40 FEAB Cc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2nc(C)cc2n1 2298103475 NTINHHGKEYMBCD-UHFFFAOYSA-N 363.425 2.437 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc12 12326861 MDWLAMRVTNCTCU-INIZCTEOSA-N 356.401 2.430 0 40 FEAB COc1ccccc1CCNC(=O)Nc1cc(-n2cnnn2)ccc1C 40120603 RNJLWPMEUDKIGQ-UHFFFAOYSA-N 352.398 2.344 0 40 FEAB O=C(CCCNC(=O)C1CC1)NCc1ccc(N2CCCCCC2)nc1 40122112 YDFYUOBNQWFNCT-UHFFFAOYSA-N 358.486 2.385 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)NCCC(=O)O)s2)cc1OC 40286640 RIJBTRVHVOIFPB-UHFFFAOYSA-N 350.396 2.340 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)N1CCCCC1 20794998 XDYLSPLAQFIRQA-FQEVSTJZSA-N 355.438 2.173 0 40 FEAB C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F 32523064 ICIHHBBQRYOLHV-GFCCVEGCSA-N 350.415 2.283 0 40 FEAB CN(C)CCOc1ccc(C(=O)Nc2ccc(-c3noc(O)n3)cc2)cn1 78869175 FQRIUCKCPIRESR-UHFFFAOYSA-N 369.381 2.030 0 40 FEAB COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 4260412 FQVKXWRAIYQELS-MTQWCTHYSA-N 369.417 2.177 0 40 FEAB biogenic,in-vitro Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C)CC3)c(O)n2n1 22458961 UTNSYSHBCDRBIQ-AWEZNQCLSA-N 361.446 2.281 0 40 FEAB O=C(O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 7882630 XEXDMUJORRSKJJ-LBPRGKRZSA-N 369.333 2.285 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc(-n3cnnn3)cc2)c(OC)c1 83927874 IPWHSHNXMFKMRJ-UHFFFAOYSA-N 354.370 2.001 0 40 FEAB Cc1cc(Br)oc1C(=O)Nc1ccc(S(C)(=O)=O)nc1 55367556 ZIPKHAOMBWULNV-UHFFFAOYSA-N 359.201 2.401 0 40 FEAB CC(C)[C@@H](Nc1cnc2cc(F)c(F)cc2n1)C(=O)N1CCOCC1 84370726 SQIQRZSDXXZMTN-MRXNPFEDSA-N 350.369 2.203 0 40 FEAB O=S(=O)(c1ccc(Cl)nc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 107331493 BEVZNTYHNDOZDN-RYUDHWBXSA-N 362.904 2.410 0 40 FEAB COc1ccc2c(c1)c(C(=O)[C@H](C)N1CCC(C(N)=O)CC1)c(C)n2C 57050871 QBJFQRTZGIFJQE-ZDUSSCGKSA-N 357.454 2.264 0 40 FEAB COc1cc2nc(-c3ccccc3S(C)(=O)=O)oc(=O)c2cc1OC 12619625 MZYSVUIQFNBKOS-UHFFFAOYSA-N 361.375 2.276 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1 58014343 ZOTRHWZVIXWDHM-CHWSQXEVSA-N 371.455 2.099 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 10024516 GAPBBUARILFPFI-IBGZPJMESA-N 361.442 2.108 0 40 FEAB O=C(CN1CSCC1=O)Nc1ccc(OC(F)F)c2ncccc12 58163467 KVKGLCSAGIGDCT-UHFFFAOYSA-N 353.350 2.308 0 40 FEAB CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C)s1 58174050 OIPZVWXPABCLMD-OAHLLOKOSA-N 359.561 2.093 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC=CO1)c1ccco1 97103218 MGVWILSTXBOTJB-IRXDYDNUSA-N 354.406 2.430 0 40 FEAB COc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 58202977 MRLIGZWBIKASEU-UHFFFAOYSA-N 366.483 2.108 0 40 FEAB Cc1oc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)N1CCCC1 45040427 ZAUATLXRRUHGKK-UHFFFAOYSA-N 364.423 2.234 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cnc3ccsc3c2=O)c1C 10768584 KVHKILHOANUWIH-UHFFFAOYSA-N 359.407 2.463 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 45496038 JDYBXYFHBPFJNH-HOCLYGCPSA-N 361.467 2.109 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(NCc2ccc3c(c2)OCO3)nc1 28939667 BLEGZPAEWPAJDY-UHFFFAOYSA-N 363.439 2.453 0 40 FEAB CCCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OCC)cc1 3426967 ZWFZMMKRLYSSGD-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cl)c1 3551652 IMCJVTDRWWMMCF-LLVKDONJSA-N 371.784 2.500 0 40 FEAB CC[S@@](=O)c1ccccc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 12976775 VRMPEOUNQDAGPH-LMKMVOKYSA-N 366.527 2.291 0 40 FEAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(=O)NC(C)(C)C 84019697 SKKIMHKRYQEODW-UHFFFAOYSA-N 362.455 2.411 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 6086928 UGYLKCCCLZUAHD-UHFFFAOYSA-N 351.362 2.197 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1Cl 9137782 KJYZRQBTQKNIHX-UHFFFAOYSA-N 372.812 2.125 0 40 FEAB CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 14014410 DPZKECZVQVSOFU-LBPRGKRZSA-N 350.362 2.458 0 40 FEAB CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)cc1 9238701 PMBGVPYCKBZZBH-CABCVRRESA-N 361.471 2.223 0 40 FEAB CC(C)CN(Cn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 14135099 FWNPXOLKDOLOFX-ZDUSSCGKSA-N 372.874 2.351 0 40 FEAB C[C@H]1C(=O)N(CC(=O)NCc2ccc(F)cc2)C(=O)N1c1ccccc1 14161478 CKFGGFWRNPMHBN-ZDUSSCGKSA-N 355.369 2.299 0 40 FEAB O[C@H](COc1ccc(Br)cc1)CN1CCCN2CCC[C@@H]2C1 65622654 MSTGNFIZWBWADL-CVEARBPZSA-N 369.303 2.359 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccccc1OC(F)F 5539110 XYBRNGKLUQNUGR-UHFFFAOYSA-N 370.352 2.172 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 5628664 ZRFZQAMZZCGEJQ-UHFFFAOYSA-N 363.420 2.206 0 40 FEAB COCC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O 9348121 QQSRYZXLLMFFNY-UHFFFAOYSA-N 351.406 2.407 0 40 FEAB C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](C)O[C@H](C)C1 20680431 HQJPAAJTTQBNHD-IKNDFHJISA-N 363.502 2.279 0 40 FEAB C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(N)=O 7016013 HAHASHIPDWQMJH-LBPRGKRZSA-N 360.435 2.282 0 40 FEAB COc1ccc(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 7187625 KBJQPNDVERDXTQ-UHFFFAOYSA-N 366.464 2.262 0 40 FEAB CCc1nn(C)cc1NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 91200287 PEYINMZVICHJHX-UHFFFAOYSA-N 370.501 2.052 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCNC(=O)C3)cc12 8328746 VFLNMMKSHYGTRJ-UHFFFAOYSA-N 372.425 2.166 0 40 FEAB CCS(=O)(=O)N1CCN(C(=O)Nc2cc(C)cc3cccnc23)CC1 92146028 ZPXGIDGBXLTKIE-UHFFFAOYSA-N 362.455 2.042 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCCOc2ccccc2F)c1 8777928 LIBLHUDUADMNMC-UHFFFAOYSA-N 351.399 2.428 0 40 FEAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)N1CCCC1 409189614 LOZWUJMTYZMVKQ-ZHACJKMWSA-N 360.435 2.394 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2-n2cnnn2)c1 39981693 KYEKNCZIXYWNOI-GFCCVEGCSA-N 353.382 2.171 0 40 FEAB O=C1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(O)nn3)ccc2N1 530078098 YKSDXFJIVSQZFP-INIZCTEOSA-N 352.394 2.434 0 40 FEAB NC[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574124 JMOSYQVSXYVIJF-HLLBOEOZSA-N 365.838 2.309 0 40 FEAB COc1cccc(N(CC(=O)N(C)C2CCCCC2)S(C)(=O)=O)c1 38754603 XIZLTCVRTJFDQZ-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1 182201605 VATGPARUMBHQSF-SFHVURJKSA-N 371.412 2.351 0 40 FEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCSCC1 1565524206 FXUWXKMSHFGTSU-UHFFFAOYSA-N 360.479 2.157 0 40 FEAB COc1ccc(OC)c([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 38541246 OQIIVSXXNYALGJ-BBRMVZONSA-N 365.474 2.303 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353301 ZPUYLKYOBUSOGD-CQSZACIVSA-N 361.471 2.206 0 40 FEAB Cc1cccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1C 197178009 RBLAOYKCVZXLRQ-JYJNAYRXSA-N 350.484 2.374 0 40 FEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccncc1 225727048 HRWQHALENXGUPL-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB CC1CCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 224367618 ULSPQGREHYGYDF-UHFFFAOYSA-N 358.891 2.360 0 40 FEAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)Cn1c(=O)oc2ccccc21 225788846 OPKOYSRVUIMJTG-INIZCTEOSA-N 352.390 2.194 0 40 FEAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223740854 KSOBXRFFVMJBHN-IRXDYDNUSA-N 358.467 2.346 0 40 FEAB O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 96209210 ZFSAFXMUIXBCNW-HNNXBMFYSA-N 352.394 2.151 0 40 FEAB O=C(c1ccccn1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96217813 GTKJJXRHFREOQC-DNVCBOLYSA-N 353.426 2.138 0 40 FEAB COc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cc1F 96245505 WDKVWJUIFYRWON-OKILXGFUSA-N 361.442 2.495 0 40 FEAB Cc1cnc(C(=O)N2Cc3cncn3C[C@H](COCC3CCC3)C2)cn1 96206619 WFRFDLTUJNYISR-MRXNPFEDSA-N 355.442 2.070 0 40 FEAB O=S(=O)(C1CC1)N1CCC2(CC1)OCC[C@@H]2CCOc1cccnc1 247322074 MCUFASNYCNTFJY-HNNXBMFYSA-N 366.483 2.214 0 40 FEAB CN(C)c1cc(N2CC3(C[C@H](OCc4ccccn4)CS3)C2)ncn1 248086297 DPPODWIUGAZSDM-HNNXBMFYSA-N 357.483 2.219 0 40 FEAB O=S(=O)(c1cccs1)N1CCC2(CC(Nc3ccncn3)C2)C1 257210811 BWHVATPYTLRGKA-UHFFFAOYSA-N 350.469 2.193 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)n1 257234206 GSOPITQORDDPQO-GOSISDBHSA-N 355.442 2.302 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2cnccn2)CC1 85557222 DIOFFGOZCVZMGY-DUXPYHPUSA-N 353.378 2.289 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2C=CCCC2)no1 281233462 OPWYTAHHBCBTOH-JYJNAYRXSA-N 350.438 2.495 0 40 FEAB CSC1(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CCOCC1 597300299 ZYBLKECPLBEENK-CABCVRRESA-N 354.516 2.196 0 40 FEAB COC[C@@H](CC(C)(C)C)NC(=O)N1CCC(C)(N2CCOCC2)CC1 624311837 BWZMBTYDWGUMSF-MRXNPFEDSA-N 355.523 2.334 0 40 FEAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cccc(-n3ccnn3)c2)C1 626448324 WRDJMOMMVYIKCL-FGTMMUONSA-N 370.457 2.031 0 40 FEAB CNS(=O)(=O)c1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cc1 659850206 WRPJWFVVMFYRQP-MRXNPFEDSA-N 360.483 2.073 0 40 FEAB O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC(C2CCOCC2)C1 669738066 UWKUIEVRXPGVIA-ZDUSSCGKSA-N 364.392 2.203 0 40 FEAB CN1C[C@@H](COCC2CC2)C2(CCN(C(=O)C3CCOCC3)CC2)C1 585103521 PJBFHAMNFUANOO-SFHVURJKSA-N 350.503 2.010 0 40 FEAB O=C(OCCF)N1CC[C@H]2[C@H](C1)OCCN2Cc1cc(F)cc(F)c1 585107853 SIWMZBZTSNBHIE-HOTGVXAUSA-N 358.360 2.346 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102862 LIDUMUMRICLIAV-WIYYLYMNSA-N 374.456 2.246 0 40 FEAB Cc1occc1C(=O)N1CC2(C[C@@H](COCc3ccncc3)CN2C)C1 585093847 JLEYNXYRDPSPBG-QGZVFWFLSA-N 355.438 2.346 0 40 FEAB Cc1c(C(=O)NCc2nncn2C)cnn1-c1cccc(C(F)(F)F)c1 47472562 UDHAIDKTLOOMKY-UHFFFAOYSA-N 364.331 2.258 0 40 FEAB C[C@@H](C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1)S(C)(=O)=O 57375536 DHTYCVWUEXAYOP-QMMMGPOBSA-N 360.407 2.384 0 40 FEAB CCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1Br 89961046 FEMLNLOUDVHTCB-UHFFFAOYSA-N 354.241 2.370 0 40 FEAB COc1ccccc1-n1nnnc1SCc1nc2ccsc2c(=O)[nH]1 12601978 TXZDQZVFMHCCHG-UHFFFAOYSA-N 372.435 2.261 0 40 FEAB O=C(C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1)N1CCCCC1 13636595 QLUSJYRCBREHQA-GOSISDBHSA-N 369.465 2.043 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(C)cc(C)cc2C)NC(=S)N1 13684132 AYHYMKAVEUCJDE-QGZVFWFLSA-N 359.495 2.263 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1CCC(C)C 17073983 DFGCNHDQFVJMJM-UHFFFAOYSA-N 358.442 2.222 0 40 FEAB Cc1csc([C@@H](Cc2cccs2)NC(=O)Cn2nc(C)ccc2=O)n1 19131080 QEVXSLLYWWHDNW-CQSZACIVSA-N 374.491 2.478 0 40 FEAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2cccc(O)c2)C1 19573241 OHEARNSICJJZIA-GFCCVEGCSA-N 353.469 2.027 0 40 FEAB O=S(=O)(N1CCCC1)N1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 253614860 MBOAAEAOTDXYST-QRVBRYPASA-N 364.511 2.479 0 40 FEAB COc1cccc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1F 2037983954 LRERXFLSCNACMR-LJQANCHMSA-N 350.434 2.294 0 40 FEAB Cc1cncc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)c1 2037984547 FIQYKANEQIEHMP-MJGOQNOKSA-N 365.433 2.284 0 40 FEAB COc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1 5153542 UZZFGNDCLMIUAS-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10104728 DUFHDDPJVXHMNW-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB COc1cccc(CN2C[C@@H](C)[C@@]3(CCN(CCN4CCCC4)C3=O)C2)c1 2055704321 KDVPYHMCEVEXHJ-XMSQKQJNSA-N 371.525 2.461 0 40 FEAB O=C(c1ccsc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773091 VCVFFWINGNKFIN-UHFFFAOYSA-N 358.467 2.102 0 40 FEAB CN([C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 2086886933 FQNAWSHGCVFVSK-NSHDSACASA-N 363.405 2.493 0 40 FEAB O=C(Nc1nccs1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 9303259 VZPFGJLFJNPDHJ-NUXNZHGMSA-N 353.403 2.068 0 40 FEAB COc1ccccc1-c1n[nH]c(NC(=O)CCNC(=O)c2ccsc2)n1 40088568 WYUYVLBMYZXFSD-UHFFFAOYSA-N 371.422 2.300 0 40 FEAB O=C(NCc1cccnc1-n1cccn1)C1CCN(CC(F)(F)F)CC1 40154062 ZIYSLQVNRWOKFS-UHFFFAOYSA-N 367.375 2.158 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 20491582 ATMGSNWPYUREDY-OAHLLOKOSA-N 368.361 2.131 0 40 FEAB Cc1ccccc1-c1nnc(SCCn2nc3ccccn3c2=O)n1C 31843868 XIPZCUNCMSPBSP-UHFFFAOYSA-N 366.450 2.392 0 40 FEAB CC1(C)Cc2c(sc3ncn4nc(CN5CCOCC5)nc4c23)CO1 20533200 NAIUCDMJPOETRS-UHFFFAOYSA-N 359.455 2.023 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cs1 46495294 BONAQWRBNIYLDE-ZIAGYGMSSA-N 351.472 2.450 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4487852 ISJGDIULGGMPOM-SGPHBRAGSA-N 367.373 2.161 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O 4514769 UHUWITGOOVXUPR-QFYYESIMSA-N 350.806 2.174 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)CN1CCc2ccccc21 7348567 ULXCKZMQEKQAOR-UHFFFAOYSA-N 356.422 2.391 0 40 FEAB O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542920 RHUJQDVXKMGKQN-UHFFFAOYSA-N 362.495 2.198 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42497600 MUZKBZIKDXSOGU-KRWDZBQOSA-N 358.486 2.193 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2C)cc1 8939614 DDWAXGJNXVPQOA-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COc1ccc2c(c1)CCC2 8735547 KAVUANRZYYDEGA-IBGZPJMESA-N 369.417 2.160 0 40 FEAB O=C(/C=C/c1ccco1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786771 AMFNJNWCPTXNPX-GQCTYLIASA-N 354.406 2.408 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCOC2CCCCC2)c1 24361762 LUKOWKMBFJNMGO-UHFFFAOYSA-N 355.456 2.491 0 40 FEAB CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1-c1ccc(F)cc1 24861208 DMSKXNQWRWYWSP-UHFFFAOYSA-N 354.389 2.042 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 3180145 UVEPOBWWSDIGIK-HNNXBMFYSA-N 350.484 2.346 0 40 FEAB CSc1nc(C)c(CCC(=O)N2CCN(c3ccccc3)CC2)c(=O)[nH]1 12542967 MJTSBBCVJFOLNY-UHFFFAOYSA-N 372.494 2.082 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(-n2cccn2)nc1 12522600 YKYCTZWNRZICHW-UHFFFAOYSA-N 371.347 2.304 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1 20568091 SYERJOOQRYBDNB-UHFFFAOYSA-N 351.403 2.077 0 40 FEAB COc1cc(CNC(=O)NCCC(=O)N2CCCCCC2)cc(OC)c1 58341086 ITCFDKNCYHEILY-UHFFFAOYSA-N 363.458 2.296 0 40 FEAB COc1ccc(C[C@@H](C)N(C)C(=O)c2cnc3ccccn3c2=O)cc1 58311587 PWVQURRDMPTTBY-CQSZACIVSA-N 351.406 2.406 0 40 FEAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1 58393312 FBMPDFSKWVUAEU-ZIAGYGMSSA-N 357.223 2.181 0 40 FEAB COC(=O)c1ccc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)nc1 36394541 SSUCMLKGRMYGJJ-UHFFFAOYSA-N 370.405 2.391 0 40 FEAB Cc1nn(-c2ccc3nnc(Br)n3n2)c(C)c1Br 2300625 HOTPKBDJPKKLEH-UHFFFAOYSA-N 372.024 2.452 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)CCCc2nc3ccccc3s2)n1 12722692 FUERGPJIMGPZCR-UHFFFAOYSA-N 372.454 2.196 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 3461514 NBZSXIINPQZSSX-FQEVSTJZSA-N 367.405 2.409 0 40 FEAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 12937840 MHCLDLOKDFYETL-KOLCDFICSA-N 368.850 2.020 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12927281 OLJXSIQYTSXHOQ-LBPRGKRZSA-N 363.373 2.471 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 13032221 WQOPQZCNYPPWDC-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c(OC)c1 13006100 QRPQFIJBQJTWHT-UHFFFAOYSA-N 361.379 2.221 0 40 FEAB COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1 13147224 LNNTYPLBGWNTSG-ZROIWOOFSA-N 371.443 2.444 0 40 FEAB CCOc1ccccc1OCC(=O)NCc1ccc(OC)c(C(=O)O)c1 13392994 HKTPZCWSXJRSOE-UHFFFAOYSA-N 359.378 2.487 0 40 FEAB NC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(Cc2ccccc2)C1=O 3904406 WWMJBWYJNHKKKG-KRWDZBQOSA-N 355.419 2.200 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N[C@H]3C=CS(=O)(=O)C3)s2)c1 13690051 GUBGLVLBNBYWLN-LBPRGKRZSA-N 364.448 2.168 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1 113870707 CTYUEMXTJCXTMH-UHFFFAOYSA-N 366.370 2.064 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 39546219 AOCZWQGDDODBAB-HNNXBMFYSA-N 355.413 2.293 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=CC=NN12 5118897 MWAWZGZDCJXXPC-FPCVCCKLSA-N 357.454 2.144 0 40 FEAB COC(=O)CCCn1c(C)cc(C(=O)COc2ccc(C(N)=O)cc2)c1C 6290414 IUMMVPRWJYMXMH-UHFFFAOYSA-N 372.421 2.419 0 40 FEAB COC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 14017820 XYECENCVXHLXJZ-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB CC1CCC(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1 14181778 VPJNLZXBLHAOLR-UHFFFAOYSA-N 357.454 2.238 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1CCCO1 14141978 IVGQMVCMNBJARR-QGZVFWFLSA-N 368.389 2.463 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccc(OC(F)F)cc1 14138006 AFXJXMLBKRCWBD-UHFFFAOYSA-N 373.359 2.426 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(C(=O)C2CC2)CC1 14200065 WQRPCZBNCDVWPX-LJQANCHMSA-N 367.449 2.031 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1C 6590915 VATOSBLTGASIFF-UHFFFAOYSA-N 369.377 2.247 0 40 FEAB O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6648690 LAKHIWHSYWISDF-UHFFFAOYSA-N 358.463 2.444 0 40 FEAB Cc1ccc(C)c(OCCS[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 9690741 KEIPPQPZMFDJLN-GJZGRUSLSA-N 371.524 2.107 0 40 FEAB CCCNC(=O)c1nsc(C(=O)NCc2cc(F)cc(F)c2)c1N 67334897 LUSQQGUXXFXJJR-UHFFFAOYSA-N 354.382 2.073 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 9884689 GIBRUVBSKYNILJ-LBPRGKRZSA-N 368.231 2.417 0 40 FEAB COC(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1 16469717 LXLQKXXLVMVJJW-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 8075888 XZCGTGFGJNSODN-LBPRGKRZSA-N 358.369 2.204 0 40 FEAB C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)NC(C)(C)C 8173462 OQRGLBWDEDPCJR-GFCCVEGCSA-N 366.483 2.447 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 69371020 LHMAZYTVRHFWNL-DWXRJYCRSA-N 370.474 2.096 0 40 FEAB C[C@@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@@H]2OC(=O)c3ccccc32)c1=O 17028468 KEIJMPNOOHGZSA-MEDUHNTESA-N 364.357 2.111 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3ccccc3[nH]1)C2=O 17303802 DFQFJOGRMMTJBQ-UHFFFAOYSA-N 355.398 2.002 0 40 FEAB CCC(C)(CC)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 84334334 VPAIKESZSCTLMG-OKILXGFUSA-N 365.478 2.219 0 40 FEAB CN(Cc1cccnc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 95999835 AWINSVZOPUSKIP-GOSISDBHSA-N 373.478 2.148 0 40 FEAB CCc1n[nH]c(=O)c(CNC(=O)C[C@H]2OCCc3ccsc32)c1CC 89282535 MDJOMTUQUUBQSO-OAHLLOKOSA-N 361.467 2.277 0 40 FEAB CNC(=O)C1(C(=O)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)CCC1 75108980 LTWUAULKJGATGI-UHFFFAOYSA-N 373.453 2.150 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1C 30750917 MMCRNAGSUMNHLB-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB Cc1ccc(N2CCC(CNC(=O)c3ccc4nsnc4c3)CC2)nn1 70929793 CBNGINAWNHNOTG-UHFFFAOYSA-N 368.466 2.436 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(Cc2ccc(F)cc2)o1 36709544 XLBCOVHWEGOYPV-UHFFFAOYSA-N 368.324 2.346 0 40 FEAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 222913166 FLSBYKBVVQCOIG-PBHICJAKSA-N 350.434 2.494 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)NC2CCCC2)s1)c1ccccc1 223116736 JGLASEAGCBNUNN-UHFFFAOYSA-N 352.441 2.011 0 40 FEAB Cn1nnc2c1CCN(CC1CCOCC1)[C@H]2COCc1ccccc1 96060540 GFIKSFPSFFWDRA-IBGZPJMESA-N 356.470 2.358 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)Cc1cccs1)C2 96237757 IWYJMMCAUWSICP-HXUWFJFHSA-N 369.490 2.240 0 40 FEAB COc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3O)c(=O)oc12 95471132 UPFAZTUSJJAOLF-UHFFFAOYSA-N 355.302 2.458 0 40 FEAB Cn1nccc1C(=O)N1Cc2cccn2[C@H](CCOc2ccccn2)C1 248077295 ZMLUHRPFSUJAQA-MRXNPFEDSA-N 351.410 2.283 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccnn3C)CC2)C1 257202749 ANGJREGJPAMBRS-KRWDZBQOSA-N 354.454 2.320 0 40 FEAB O=C(CNC(=O)c1ccnc(OC2CCOCC2)c1)OCc1ccccc1 253395937 CTPALMCFOSJDAJ-UHFFFAOYSA-N 370.405 2.113 0 40 FEAB CCc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCC(C(=O)O)CC1 263328555 LHYPAKDLRJIVBD-UHFFFAOYSA-N 353.440 2.026 0 40 FEAB Cc1cc(C)nc(-n2cc(C(=O)N3CCCN(C)CC3)c(C(C)C)n2)n1 608552960 DJFBXSUDFRXDHJ-UHFFFAOYSA-N 356.474 2.180 0 40 FEAB COc1nc(C)cc(C)c1CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 660548788 FYTUJNQORYLJBV-MRXNPFEDSA-N 368.437 2.094 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](Oc2ncc(F)cn2)C1 390829385 YGBKPMHBPOFPBQ-KRWDZBQOSA-N 367.384 2.154 0 40 FEAB C[C@H](C(=O)NCc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 24716339 BWMBTWWPGWJEGY-UPJWGTAASA-N 369.446 2.252 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)N2CCCN(C(=O)c3cccc(F)c3)CC2)on1 641975978 AVKUWAVWQBVPNV-CQSZACIVSA-N 374.416 2.297 0 40 FEAB Cc1ccoc1C(=O)N1CC2(C[C@H](COCc3cccnc3)CN2C)C1 585093942 RIUCLSMLEJDRBK-KRWDZBQOSA-N 355.438 2.346 0 40 FEAB CC(=O)Nc1nc(CC(=O)N2CCN(C3CCCCC3)CC2)cs1 44174733 XMJXVSBOZQDBIQ-UHFFFAOYSA-N 350.488 2.121 0 40 FEAB CC(C)NC(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594711 UELBMDJWILRFNE-INIZCTEOSA-N 374.485 2.245 0 40 FEAB CCc1ccc(N2C[C@@H](C(=O)O[C@@H](C(N)=O)c3ccccc3)CC2=O)cc1 11737959 BERBXQMYPDKLHV-QFBILLFUSA-N 366.417 2.372 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c1n2C 12183599 IWGBOGBGHBUPQM-RYUDHWBXSA-N 356.426 2.294 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)Cc3ccccn3)cc2n1 12223005 ZFNVSXQLOGLRND-INIZCTEOSA-N 351.410 2.435 0 40 FEAB O=C(CCn1sc2ccccc2c1=O)Nc1cccc2c1CCNC2=O 1637980162 UOGFYYNNLYBWFP-UHFFFAOYSA-N 367.430 2.378 0 40 FEAB COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)c(OC)c1 13419714 PEGPWTBIGVBMSI-UHFFFAOYSA-N 361.350 2.428 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)NC1CCCC1 14202228 FOLOJAPCRGIUNK-SWLSCSKDSA-N 350.415 2.025 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 16681868 KTLPGQBKHRMYQK-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB O=C(CCn1cccn1)NCCn1ncc(-c2ccncc2)c1C1CC1 19406154 YFWUKSIWKUCBAD-UHFFFAOYSA-N 350.426 2.226 0 40 FEAB CCc1nc(C)cc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)n1 19523153 NBKPHUHSUWCIQN-QGZVFWFLSA-N 367.497 2.347 0 40 FEAB CCn1cc(CN(CCCN2CCOCC2)Cc2cccnc2)c(C)n1 19524498 PKLQSSZGBRSCSE-UHFFFAOYSA-N 357.502 2.331 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 169680694 QNGZHUIMYNMKNW-NUEKZKHPSA-N 353.397 2.378 0 40 FEAB O=C(Sc1nc2ccccc2n1C(=O)c1cnccn1)c1cnccn1 5615372 OREDSGVOFWCXLC-UHFFFAOYSA-N 362.374 2.237 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc3c(c2)OC(F)(F)O3)C1 644121549 QBILPIVJMVKFSK-MNOVXSKESA-N 351.309 2.333 0 40 FEAB O=C(CCn1ccc(O)nc1=O)NCc1nc(C2CCCCC2)cs1 575604805 FPQRCPBEJPNJMP-UHFFFAOYSA-N 362.455 2.160 0 40 FEAB Cc1ccnc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c1 5923832 XXHKQYMBRXENGH-UHFFFAOYSA-N 366.446 2.460 0 40 FEAB Cc1ncnc(N(C)CC2CCN(c3nccn4nccc34)CC2)c1F 1888890146 YZUXKILYLFMVEB-UHFFFAOYSA-N 355.421 2.320 0 40 FEAB Cn1ncc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1Cl 1140372723 QUELEQIJAKVCON-UHFFFAOYSA-N 365.224 2.485 0 40 FEAB CN(Cc1ccnn1C)S(=O)(=O)c1ccc(Br)s1 2803421 BOCRTDCMZDFAQN-UHFFFAOYSA-N 350.263 2.065 0 40 FEAB Cc1ccnn1CCC(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037913137 VHSFMCBXCBGWAL-FQEVSTJZSA-N 357.454 2.404 0 40 FEAB COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC 5193418 XRDQNKXKLABLJU-HNNXBMFYSA-N 354.406 2.168 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c(OC)c1 8896427 CYFGFMCQBNOILY-CQSZACIVSA-N 370.496 2.347 0 40 FEAB O=C(COc1ccccc1)NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9034570 UWNYWYQZBSAQIW-MRXNPFEDSA-N 356.397 2.369 0 40 FEAB CS(=O)(=O)Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 40152258 PVKIBLUPTSPXFQ-UHFFFAOYSA-N 366.468 2.282 0 40 FEAB CCn1c(=O)n(C[C@H](O)COc2ccc(NC(C)=O)cc2)c2ccccc21 30531046 RZHLUVBYWQXSTC-INIZCTEOSA-N 369.421 2.221 0 40 FEAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 20357439 CUJVSBKKTLMUQW-BMRADRMJSA-N 372.469 2.173 0 40 FEAB CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(COC)s3)cc2C1=O 31808146 LIMKFTCZKKRACG-SECBINFHSA-N 374.422 2.331 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@H]21 51868989 FLQKILCIVUUXHP-DOTOQJQBSA-N 355.442 2.433 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2c(s1)CCCC2 102432164 AIVSMPIDCUDRFV-RYUDHWBXSA-N 359.451 2.302 0 40 FEAB Cc1cccc(C(=O)N[C@H](C)C(=O)NCCc2nc3ccccc3[nH]2)c1 32841669 DBQYAZABYZMHNZ-CQSZACIVSA-N 350.422 2.349 0 40 FEAB COC(=O)c1ccoc1COC(=O)CCS(=O)(=O)c1ccc(F)cc1 32895825 KLZDLELNLSDBRN-UHFFFAOYSA-N 370.354 2.113 0 40 FEAB COc1cccc(Cc2cnc(NC(=O)[C@H]3CCS(=O)(=O)C3)s2)c1 32899261 ITQFGNUCFQCEKE-LBPRGKRZSA-N 366.464 2.116 0 40 FEAB CCOC(=O)CCCNS(=O)(=O)c1ccc(Br)cc1 33048018 APUWWXRIGPENKU-UHFFFAOYSA-N 350.234 2.071 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2=O)cc1 3638915 HNMSMOIDLOHZBI-AWEZNQCLSA-N 373.497 2.474 0 40 FEAB Cn1c(CNC(=O)Cc2ccccn2)nnc1SCc1ccccc1 4932619 DAOBXYVVYZJPPT-UHFFFAOYSA-N 353.451 2.361 0 40 FEAB CCOc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 7718144 UCHACYNGXFKVCM-UHFFFAOYSA-N 363.439 2.291 0 40 FEAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N1CCOCC1 7814851 QUMCIUXEHWVCEF-ZETCQYMHSA-N 367.616 2.446 0 40 FEAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 7939711 BOHBJONBWYLOHS-UHFFFAOYSA-N 372.377 2.061 0 40 FEAB O=C1C[C@H](c2ccccc2)N(CC(=O)NCc2ccccc2F)CCN1 54395718 OANYVXKNHXYRAC-GOSISDBHSA-N 355.413 2.005 0 40 FEAB CCN(CC)Cc1cccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 42724769 SRODUYHKCIPFIS-MRXNPFEDSA-N 370.540 2.387 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cn2)n1 24571964 CBRLQMFUSSROPY-UHFFFAOYSA-N 374.404 2.233 0 40 FEAB CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(F)c(F)c1 3125286 TXQIBSJSZAGTBA-UHFFFAOYSA-N 362.379 2.464 0 40 FEAB CCN1CCN([C@H]2CCN(C(=O)c3cc(C)c4ccccc4n3)C2)CC1 106802668 XKNKYFPKMSRMMX-KRWDZBQOSA-N 352.482 2.395 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(F)cc1 9726444 ABZKKNXCVQCLQX-LJQANCHMSA-N 354.337 2.238 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c(OC)c1 3277747 OZJXDKULNWMDPR-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 2136367 ANGUYRQKNMEYQC-UHFFFAOYSA-N 369.512 2.330 0 40 FEAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc1 2368829 NIRHRWDZLUTXFD-UHFFFAOYSA-N 358.427 2.049 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C)O1 28936956 AKWWTOCUQRGDJB-HOTGVXAUSA-N 373.497 2.431 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 12948853 PXFHBKIVSZXSAU-CQSZACIVSA-N 355.394 2.130 0 40 FEAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NC1=NCCS1 12919761 DPISZLICGKYEIQ-UHFFFAOYSA-N 367.430 2.435 0 40 FEAB c1ccc2c(c1)nc1n2[C@]2(N3CCOCC3)CCC[C@@H]2[C@H]1N1CCOCC1 13210864 DDVCADSEIQHMPX-OZOXKJRCSA-N 368.481 2.208 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC1CCCCC1)O2 64988428 JVPRZNYXTKURJA-QGZVFWFLSA-N 366.483 2.361 0 40 FEAB C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4ncccn4)c(O)n1c23 6129903 QFBVZIJJWGQEKC-VIFPVBQESA-N 354.341 2.396 0 40 FEAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C[C@H](C)O1 14093251 LKOYHTANBYKRLP-STQMWFEESA-N 368.389 2.325 0 40 FEAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1cccs1 4537146 RGCRVQLVTXKXIB-UHFFFAOYSA-N 371.447 2.109 0 40 FEAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C)o1 9390154 NARCOEZSEHXEFB-UHFFFAOYSA-N 366.414 2.182 0 40 FEAB Cc1noc(C)c1Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O 67259971 DETYOKLHVTUKAS-UHFFFAOYSA-N 370.800 2.343 0 40 FEAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC[C@H]1CCCO1 7313351 UHRSRVZIFZVNNR-CQSZACIVSA-N 369.446 2.420 0 40 FEAB CC(C)CCNC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903515 SQLFLXZNMUVAJD-UHFFFAOYSA-N 351.476 2.454 0 40 FEAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1C[C@H](C)O[C@H](C)C1 18022370 IPMLNIPTCWCDFR-OKILXGFUSA-N 359.430 2.069 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 8780194 XYGQZBGGAQXHAY-BUXKBTBVSA-N 358.442 2.465 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCc2c(ncn2C2CC2)C1 95432694 RLVCRIMYQQMNJE-UHFFFAOYSA-N 363.487 2.359 0 40 FEAB CN(CCCNC(=O)CNC(=O)c1ccc(F)cc1)Cc1ccccc1 9983969 HMMDYPQIIWGSLL-UHFFFAOYSA-N 357.429 2.194 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 75094068 QNWAGAMXCYJSOT-JFIYKMOQSA-N 371.481 2.035 0 40 FEAB O=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1ccc(Cl)cc1O 89768429 KREQQSZITWKYPF-UHFFFAOYSA-N 350.802 2.236 0 40 FEAB O=C(N[C@H]1CCc2ncc(C(=O)NC3CC3)n2C1)c1cccc(Cl)c1 306123497 AOXJCAMSIHECFL-AWEZNQCLSA-N 358.829 2.174 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 409000502 XAVQJASBMDYQRP-UBDQQSCGSA-N 360.454 2.453 0 40 FEAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)N[C@H]1CCS(=O)(=O)C1 32071490 PUYNLPRCXWOGLO-INIZCTEOSA-N 373.434 2.248 0 40 FEAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)n1 72362460 WUVQICHXVIWPFC-OAHLLOKOSA-N 354.458 2.191 0 40 FEAB CCOC(=O)CN1CCO[C@H](COc2ccccc2Br)C1 217495912 XWIXMOQQDMWOOI-LBPRGKRZSA-N 358.232 2.092 0 40 FEAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 72380238 OPLVDGRRXDZNAE-QGZVFWFLSA-N 371.460 2.201 0 40 FEAB NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218391673 GURRKONCLLDPSU-CVEARBPZSA-N 350.871 2.184 0 40 FEAB COCCn1nnc2c1CCN(C(=O)Nc1cc(C)cc3cccnc13)C2 562596338 UHWTXPWTRAISGH-UHFFFAOYSA-N 366.425 2.371 0 40 FEAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[C@@H](C)O 72293610 ABZXEICJDNFFSL-VHSXEESVSA-N 353.362 2.117 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H](Oc3cncc(OC)n3)C2)c(OC)c1 225497368 OEIPNUIRBDHONK-CQSZACIVSA-N 373.409 2.186 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC1CCCCC1)O2 224485822 UNHALDBDDAIIMF-KRWDZBQOSA-N 366.483 2.219 0 40 FEAB CN(c1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O 223860847 NIURIWMAHYHCIY-UHFFFAOYSA-N 350.415 2.194 0 40 FEAB COc1ccc(OC)c(-n2nnc(C(=O)O)c2CSc2ncccn2)c1 85398237 AUAZYWJAPOQIAE-UHFFFAOYSA-N 373.394 2.065 0 40 FEAB COC(=O)c1nc(NC(=O)[C@H](C)N2Cc3ccccc3C2=O)sc1C 95479918 LQKQSQLNVCVUAJ-VIFPVBQESA-N 359.407 2.221 0 40 FEAB C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cccc(Nc2cnn(C)c2)c1 585084967 IHUPHXJLYPPTBG-DNVCBOLYSA-N 369.469 2.099 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4cccnc4)CCO3)C2)cn1 248103030 OJLJURQKRIQYOH-SFHVURJKSA-N 353.422 2.375 0 40 FEAB Cc1cc(C)nc([C@H]2CCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257303754 SINWTTFTVRCFMR-KRWDZBQOSA-N 353.470 2.326 0 40 FEAB COCCN1CCC[C@@H](c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)C1 257260007 LAYXJHYOEAQALZ-CQSZACIVSA-N 356.426 2.371 0 40 FEAB O=C(NCc1nnc2c(O)nccn12)C1c2ccccc2Oc2ccccc21 253401298 MSIVZGPZCBLZOS-UHFFFAOYSA-N 373.372 2.384 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)Cn3cccn3)CC2)C1 257308694 TXTAEXNVWWVORX-SFHVURJKSA-N 354.454 2.170 0 40 FEAB CNc1cc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)ccn1 257316899 VHMLCURAYGMJDL-HNNXBMFYSA-N 350.426 2.274 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)CCC(=O)O)C1 257307049 SWZVXUSIRFTCKR-CYBMUJFWSA-N 358.398 2.004 0 40 FEAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257328622 XGLMNYBYZQSHEL-CYBMUJFWSA-N 360.487 2.219 0 40 FEAB Cc1cn2c(n1)[C@H](CN[C@H]1CCCc3ccc(S(N)(=O)=O)cc31)CCC2 685648297 LBRCDRGVXQTUQY-YJBOKZPZSA-N 374.510 2.384 0 40 FEAB O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1c(F)cccc1F 90612604 CNIGWPMRVRWEMK-CYBMUJFWSA-N 371.361 2.096 0 40 FEAB O=C1C[C@H](C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CN1Cc1ccco1 614844365 RJGJQSKPZYYRKR-JSGCOSHPSA-N 374.359 2.198 0 40 FEAB O=C1CCC[C@H](CNC(=O)N2CCc3ccc(C(F)(F)F)cc3C2)N1 633195701 AVVYJDWLALFGTA-CQSZACIVSA-N 355.360 2.442 0 40 FEAB COc1cccc(C[C@H]2NC(=O)N(CCCc3nc(C(C)C)no3)C2=O)c1 629450805 CFNAOOGGENAIFR-OAHLLOKOSA-N 372.425 2.297 0 40 FEAB O=C(O)[C@@H]1CC[C@@H](C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)CN1 630700623 CKZASLIOZWEUBA-MFKMUULPSA-N 356.344 2.264 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 659369988 QBCQHZOSTQADBN-SFHVURJKSA-N 374.462 2.312 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]21 585109558 WTBKQBRSPODLNS-QLFBSQMISA-N 362.476 2.356 0 40 FEAB O=C(c1n[nH]cc1Cl)N1CCC[C@](O)(COc2cccc(F)c2)C1 585277527 WCZJKKKHIBLTFW-MRXNPFEDSA-N 353.781 2.248 0 40 FEAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN1CC[C@@H](O)C1)C2 585104795 SXCSDAYVAQCTNP-MOPGFXCFSA-N 372.509 2.327 0 40 FEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCCCCC1 27066031 PTDVFGWUSJLNSS-UHFFFAOYSA-N 363.483 2.420 0 40 FEAB CCc1c(C(=O)NCCNC(=O)OC(C)(C)C)cnn1-c1ccccn1 58009757 OIOQZNMYPRLUSH-UHFFFAOYSA-N 359.430 2.084 0 40 FEAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2COc3ccccc3O2)CC1 57173321 DMDXWNQGHKUAOF-INIZCTEOSA-N 362.426 2.342 0 40 FEAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1cnn(C)c1 11560441 OULQFFMXKPNPRW-HNNXBMFYSA-N 360.414 2.442 0 40 FEAB CN1CCC(CNC(=O)CSc2nccc3ccccc23)(N(C)C)CC1 12148307 WKVOQFWOORNUSR-UHFFFAOYSA-N 372.538 2.469 0 40 FEAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2S(=O)(=O)N2CCCC2)cc1 12328743 OJRGDWGEMBDFRA-RVKKMQEKSA-N 366.483 2.268 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)C2CCCCC2)c1C 14139840 CGRWKFQKZXPVRQ-UHFFFAOYSA-N 353.488 2.154 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC 16681785 IXFBIIJCSUSHJW-ZDUSSCGKSA-N 362.451 2.484 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)c1 19588808 NIWYDNKIEKXFCS-SFHVURJKSA-N 352.438 2.450 0 40 FEAB CC(=O)N[C@@H]1CN(C(=O)c2oc3c(F)cccc3c2C)C2(CCNCC2)C1 19703533 CNFGXMIUAHUYCL-AWEZNQCLSA-N 373.428 2.353 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)n2)cc1 169680740 ZZCZHLMJVAXOGW-USXIJHARSA-N 365.433 2.247 0 40 FEAB C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@H](C)c1ccccc1C(F)(F)F 164183396 IFRQLOPYSGGYCX-MJVIPROJSA-N 373.375 2.093 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 35311570 MZGSRJKLQJEMBE-LSDHHAIUSA-N 367.515 2.434 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 7077726 BZCZHLQZSVHXRJ-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 209939874 GZVHHTJNFKBYDQ-ROUUACIJSA-N 365.462 2.232 0 40 FEAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@](C)(CC(=O)O)c2ccc(F)cc2)C1 634829154 OTBZZARXBYWUIY-YJYMSZOUSA-N 374.416 2.093 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1 10165366 INZMCAWSRLMWTH-UHFFFAOYSA-N 369.446 2.196 0 40 FEAB COc1ccc(CCN2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1OC 2941327 YWQHDCHKIJBYOF-HNNXBMFYSA-N 372.421 2.004 0 40 FEAB Cc1nnc(N2CC(NC(=O)c3cc(Br)cs3)C2)s1 1888843877 RAKBCRMMDVEDNY-UHFFFAOYSA-N 359.274 2.289 0 40 FEAB COc1cnc(O[C@H]2CCN(c3nccn4nc(C5CC5)cc34)C2)nc1 2087147928 MUVIJEVACNGCQG-ZDUSSCGKSA-N 352.398 2.063 0 40 FEAB Cc1nc(CN2CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)Cc3cccnc32)cs1 1565548514 DZNPNHDWBYXGMF-BJWYYQGGSA-N 370.478 2.088 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940773 QUNYRYNEIYOZAI-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB COc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 5221562 CUQQMXXMCTXKJU-AWEZNQCLSA-N 370.405 2.248 0 40 FEAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2)n1 7420206 JFDXSAZCWGKQIQ-UHFFFAOYSA-N 367.409 2.477 0 40 FEAB O=C(C1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382422 CVSUSOFRKSXEAN-IAGOWNOFSA-N 370.449 2.380 0 40 FEAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1CCN(S(C)(=O)=O)CC1 575415723 XQGINWYPXNBLJU-ZDUSSCGKSA-N 364.467 2.152 0 40 FEAB c1ccc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)cc1 2298092135 FUKCEIPCGSJFNI-QGZVFWFLSA-N 364.453 2.332 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2CN(c3ccc(F)cn3)C[C@H]2C1 2298212767 AVJBKKBLAXDOBL-GJZGRUSLSA-N 357.433 2.088 0 40 FEAB O=C(O)c1ccc(NC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 101654315 ANCRUIZRJBSARJ-JSGCOSHPSA-N 353.378 2.198 0 40 FEAB CCN(CC)C(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 32716199 NZMSZWNXYAIVAS-UHFFFAOYSA-N 372.444 2.441 0 40 FEAB COc1cccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c1O 32915206 ARHVQMNDXHTYJR-UHFFFAOYSA-N 354.406 2.453 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)c(OC)c1 21870181 ZRTMCFQSMWKJCZ-UHFFFAOYSA-N 356.378 2.458 0 40 FEAB CNC(=O)C1(NS(=O)(=O)c2ccc(C)c3ncccc23)CCCCC1 78624328 XBXYGIQVUBIOIJ-UHFFFAOYSA-N 361.467 2.270 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)Cc3noc4ccccc34)nc2s1 22019798 QZCICWDRIBDHRB-UHFFFAOYSA-N 370.390 2.141 0 40 FEAB COCCNC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3500397 KMOWAWTXNQPITQ-UHFFFAOYSA-N 354.457 2.145 0 40 FEAB COc1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)ccc1NC(C)=O 3565500 AWDFXFQLSXTXNX-LBPRGKRZSA-N 363.439 2.221 0 40 FEAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCCC1)c1ccco1 4908054 PAAAHASMQCBKHR-ALOPSCKCSA-N 359.470 2.407 0 40 FEAB O=C(CSc1nnc(C2CCCC2)[nH]1)N1CCN(c2ccccn2)CC1 12104178 DHDVSUYBFAMPQL-UHFFFAOYSA-N 372.498 2.298 0 40 FEAB O=C(CCNC(=O)c1ccoc1)NCc1ccc(N2CCCCCC2)nc1 53632879 ROPSTAUYAVCFER-UHFFFAOYSA-N 370.453 2.491 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@H](C)O1 54116728 WICOWVVKLDOVHW-GJZGRUSLSA-N 355.438 2.373 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2Cc1ccc(Cl)cc1 1021694 TZDRRSSNJYKFNH-UHFFFAOYSA-N 373.844 2.115 0 40 FEAB COc1cccc(NC(=O)c2cc(O)n(Cc3ccccc3)c(=O)n2)c1 3134877 OFIIYXZZMIKASH-UHFFFAOYSA-N 351.362 2.258 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 102014517 AHDKFRVLBWANDH-VGWMRTNUSA-N 357.797 2.252 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12533050 ZZPBWEPLGURLBM-LJQANCHMSA-N 365.433 2.027 0 40 FEAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1O 12599059 ZBXNXEBRIYWCHD-SNVBAGLBSA-N 359.334 2.314 0 40 FEAB COc1ccc(NC(=O)C[C@H](NCc2ccccc2)C(=O)O)c(OC)c1 105779926 MXUNSQZPHCOBQX-INIZCTEOSA-N 358.394 2.275 0 40 FEAB Cc1ccccc1C1(CNC(=O)CN(C)c2cnccn2)CCOCC1 55761170 MELJVXWMVXOSFM-UHFFFAOYSA-N 354.454 2.086 0 40 FEAB CSc1ncc(Cl)c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)n1 25602644 UDGOWNJZYREKJV-UHFFFAOYSA-N 350.787 2.435 0 40 FEAB CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccccc1F 3241287 GKSICQDNNUNRJC-UHFFFAOYSA-N 372.396 2.147 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccccc1 3248834 LALFJGJYQCZARQ-UHFFFAOYSA-N 355.390 2.281 0 40 FEAB O=S(=O)(NC[C@@H]1CCCCN1)c1ccc(F)cc1Br 44492798 AEGQIYXVFOMJGU-JTQLQIEISA-N 351.241 2.009 0 40 FEAB COC(=O)C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1cccs1 83884643 QOESTJHEIPMSHG-CQSZACIVSA-N 370.430 2.484 0 40 FEAB Cn1c(SCC(=O)NCc2cccs2)nc2sccc2c1=O 35767313 RBYLGXOAGXPYQU-UHFFFAOYSA-N 351.478 2.465 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 10031806 VXDGYCYVUHWTQL-UHFFFAOYSA-N 368.389 2.053 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccccc2)no1 58157878 SQIJIMSOMSZZKU-INIZCTEOSA-N 362.389 2.112 0 40 FEAB CC(C)COC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccco1 58173476 BJTIWFGNNHXVNJ-MRXNPFEDSA-N 370.405 2.406 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCN(C(=O)CCc2ccccc2)CC1 58251017 QZPMRYNMJQTXCE-HNNXBMFYSA-N 372.494 2.247 0 40 FEAB Cc1c(CC(=O)N(C)CCO)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8879788 QWHIAQKTOAYBLE-UHFFFAOYSA-N 359.422 2.198 0 40 FEAB biogenic CC(C)Oc1nnc(SCC(=O)NC(=O)NCc2ccccc2)s1 58208928 BRXCWESKMPFHSW-UHFFFAOYSA-N 366.468 2.443 0 40 FEAB Cn1c(SCCOc2ccccc2F)nnc1[C@H]1CCS(=O)(=O)C1 58240828 OUFVJMANFXWRCG-NSHDSACASA-N 371.459 2.027 0 40 FEAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC[C@H]1CCCO1 3367284 IHACNIVTQCZNEO-SSDOTTSWSA-N 367.616 2.494 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCc3ccccc32)cc(OC)c1OC 3317502 UBRQPHHFAZKWGD-UHFFFAOYSA-N 371.389 2.459 0 40 FEAB COc1ccccc1OCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12751838 PHXSTWFREHVCKB-UHFFFAOYSA-N 359.407 2.031 0 40 FEAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1F 48356069 LYGMIPFNBJVOLH-UHFFFAOYSA-N 358.778 2.387 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(F)c1)N1CCCCCC1=N2 12892901 KEMAUKMRODVLAE-INIZCTEOSA-N 356.401 2.232 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nccs2)CC1 29657009 JIVGHNLARXONQE-UHFFFAOYSA-N 369.450 2.300 0 40 FEAB CCCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCS(=O)(=O)C1 29763158 KILCAXQFLJBKMR-UKRRQHHQSA-N 357.859 2.069 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1N1CCOCC1 3452411 QRQJVGDCZRVRTF-UHFFFAOYSA-N 353.378 2.070 0 40 FEAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 3503750 LZORETJBAPWPGO-UHFFFAOYSA-N 355.362 2.257 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 63147312 YFMJSWKHMOXEHG-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nncn1Cc1ccco1 8745666 MVWGLNDOSGUXSY-UHFFFAOYSA-N 372.406 2.437 0 40 FEAB Cc1ccc(OCCNC(=O)Cn2c(=O)cnc3ccccc32)c(C)c1 8744575 DGQOEHLULHIPNE-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccco1 5255707 NWDIRUJNRDXKGS-UHFFFAOYSA-N 362.187 2.012 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N1CCS[C@H]1c1ccccc1F 14134926 WKSACEOUAVNXNV-SFHVURJKSA-N 370.409 2.205 0 40 FEAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3c(C)noc3C)CC2)c1C 14184379 KFZHXWOZWPBEJX-UHFFFAOYSA-N 370.453 2.305 0 40 FEAB Cc1ccc(NC(=O)CNC(=O)C(=O)NCCC2=CCCCC2)c(F)c1 9219046 TZMJBVGSFZGYKA-UHFFFAOYSA-N 361.417 2.196 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15358922 ZEWGRKDPUZZXTD-LBPRGKRZSA-N 369.464 2.138 0 40 FEAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCN(C)CC3)n2)n1 9305117 FKZHRFAYSNIZCI-UHFFFAOYSA-N 365.279 2.102 0 40 FEAB CC1(C)OCC(C)(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CO1 95453138 TUWNVNNUCDEPIU-CQSZACIVSA-N 358.442 2.225 0 40 FEAB O=C(c1nn(-c2ccccc2)cc1CCCO)N(C[C@H]1CCOC1)C1CC1 95451463 IWPVCNWGBNDEFW-MRXNPFEDSA-N 369.465 2.438 0 40 FEAB CCN(CC(=O)N[C@@](C)(COC)CC(=O)O)Cc1ccc(Cl)cc1 95989846 ICIMXRYTINLDJV-QGZVFWFLSA-N 356.850 2.158 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)on1 23417832 HVZOMHZBNSIIMC-UHFFFAOYSA-N 368.437 2.068 0 40 FEAB CCOC(=O)COc1cc(Br)cn2c(C(=O)OCC)cnc12 514267987 WCHXDSBLQCZGKV-UHFFFAOYSA-N 371.187 2.215 0 40 FEAB NC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccccc1 532245276 DEZJFGOVPDHUDD-ROUUACIJSA-N 369.421 2.092 0 40 FEAB COc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1OC 45203053 ZPYFBHJHIBBMSO-MRXNPFEDSA-N 359.378 2.169 0 40 FEAB COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224113554 GBNWCFRIZXCDPS-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB COc1ccc(CN2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)cc1 96243985 CKYJNYVVKFXLEU-FQEVSTJZSA-N 354.454 2.225 0 40 FEAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCCN(c2ncccn2)C1 96115638 TZKYNUNTCGQBNH-OKZBNKHCSA-N 357.502 2.074 0 40 FEAB biogenic COc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3[C@H]2C)cc1 96062018 STXOHHPMTBNZTL-QGZVFWFLSA-N 369.513 2.216 0 40 FEAB C[C@H]1CN(S(=O)(=O)CC2CC(F)(F)C2)C[C@@]2(CCO[C@H](C)C2)O1 578293627 DDKUQTZKCSHBBF-DYEKYZERSA-N 353.431 2.020 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(C(C)C)C2 96207117 CAPFQNWZKXPSJQ-QGZVFWFLSA-N 358.548 2.328 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 95478328 LRWTYMVGOKIRTD-PMPSAXMXSA-N 365.433 2.247 0 40 FEAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(Cc1ccsc1)C2 248165120 ZMSPVWNNMJYQBQ-INIZCTEOSA-N 359.495 2.498 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382594 UBQIVEBIWLHCRB-UAFMIMERSA-N 353.466 2.044 0 40 FEAB biogenic,in-vitro CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 585083011 ZCOTZKDJCDRYIK-RTBURBONSA-N 373.497 2.384 0 40 FEAB Cc1nc(C[C@@H]2CCCN(Cc3ccccn3)C2)cc(C(=O)N(C)C)n1 257288807 PVUNPWVUODYBQJ-INIZCTEOSA-N 353.470 2.337 0 40 FEAB COc1ccccc1-c1noc(C2CN(CC(=O)Nc3cccnc3)C2)n1 85467299 HMKVAOLZDDRSPD-UHFFFAOYSA-N 365.393 2.178 0 40 FEAB Cc1noc2ncc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccnn3C)cc12 619294756 PUACBIZKVMLWPM-BLLLJJGKSA-N 355.398 2.162 0 40 FEAB C[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 678355459 KQFUIFYQXOTFAC-VYDXJSESSA-N 370.453 2.367 0 40 FEAB COC(C)(C)c1noc([C@H]2CCc3nnn(C4CCN(C)CC4)c3C2)n1 1775960512 PIXDEDHGDQDOJM-LBPRGKRZSA-N 360.462 2.082 0 40 FEAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585275454 AZDYUYIVFCWUOS-LJQANCHMSA-N 357.410 2.109 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(-c2cccs2)n[nH]1 58160291 WUFVCLNFXQUNGW-UHFFFAOYSA-N 370.390 2.235 0 40 FEAB CC(C)[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CCCS1(=O)=O 89775855 LGYWSJUJCPNERZ-WBVHZDCISA-N 352.500 2.184 0 40 FEAB CC1(C)COCCC[C@H]2CNCC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O 1534612816 KXVGXFOMUDJFOH-BZSNNMDCSA-N 352.519 2.038 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2N)cc1 5993309 ALSNCWIAFWASJE-QMMMGPOBSA-N 373.360 2.333 0 40 FEAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)Cc2nonc2C)c1 12085272 KCEOYCYUDAUBKF-QWQRMKEZSA-N 357.410 2.388 0 40 FEAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C 12602037 ODDQEWJCLJXNIT-KSZLIROESA-N 374.529 2.408 0 40 FEAB biogenic,in-vitro Cc1cnc(-c2nnc([C@H]3CCN(C(=O)C[C@H]4CCCCO4)C3)o2)cn1 19239150 YMBQSCHABQMCIA-UONOGXRCSA-N 357.414 2.110 0 40 FEAB CCCC[C@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1 19502147 HPRHJOQKBBJTLA-LJQANCHMSA-N 372.517 2.369 0 40 FEAB COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3C)C2)c1 19658906 PKHHMOWKDYUADH-MRXNPFEDSA-N 372.469 2.467 0 40 FEAB O=C(Cn1ccccc1=O)N1CCN(c2ccccc2C(F)(F)F)CC1 19719108 XAJLDEFEBMCOGU-UHFFFAOYSA-N 365.355 2.216 0 40 FEAB CCCN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19758609 GDAZEGYWIOBVKX-UHFFFAOYSA-N 355.486 2.410 0 40 FEAB Cc1noc(C)c1[C@H](C)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 159065016 UCTQTNDAKUJRSK-CYBMUJFWSA-N 371.437 2.475 0 40 FEAB O=S(=O)(N1CCCC1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373899 XYZICFJWQXSVPB-GUDVDZBRSA-N 363.527 2.327 0 40 FEAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccccc2F)CC1 36390319 PZVABMVUAJBPPB-QGZVFWFLSA-N 356.401 2.202 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(Cc2cccc(Br)c2)C1)C1CC1 1889139059 JXKPCHKGCAKXCO-CQSZACIVSA-N 373.316 2.495 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1 2037716132 GJJKFHFZOWYZPB-MRXNPFEDSA-N 352.394 2.196 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1=O 2037985458 KRTUMXSQGYIXCF-IBGZPJMESA-N 362.474 2.096 0 40 FEAB O=C(NC[C@@]1(OCCO)CCSC1)c1csc(-c2ccccc2)n1 1565519781 PDSWHMCOPPKKQV-KRWDZBQOSA-N 364.492 2.425 0 40 FEAB COc1cccc(N2C[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)c1 5194795 IVGWOCVKKZYRDA-AWEZNQCLSA-N 370.405 2.248 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)c1 2055750903 KNLMXYANJDQIFD-HOTGVXAUSA-N 361.467 2.387 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCN(C2CCCC2)CC1 23014601 HGUYXTODXSFQFB-UHFFFAOYSA-N 369.465 2.053 0 40 FEAB CN([C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)S(=O)(=O)C1CC1 2086889298 DPBLEINHWCSXOY-LBPRGKRZSA-N 363.405 2.493 0 40 FEAB CN([C@H]1CCCN(c2ccc(C(C)(C)C)nn2)C1)S(=O)(=O)C1CC1 2086889225 RPKZWFUUNXZRSF-ZDUSSCGKSA-N 352.504 2.167 0 40 FEAB O=C(NC[C@H](c1ccsc1)n1cccn1)[C@H]1COc2ccccc2O1 575614509 VFZHAKYHHTVCQV-RHSMWYFYSA-N 355.419 2.490 0 40 FEAB O=c1cc(C2CC2)ncn1CC1CCN(c2ncnc3[nH]ccc23)CC1 585629783 RLUMRZJMYNWMPF-UHFFFAOYSA-N 350.426 2.309 0 40 FEAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1Br 575614998 BCAACFPVVKTVIZ-LBPRGKRZSA-N 373.276 2.044 0 40 FEAB CN(C)c1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)OCO4)C2=O)cc1 101130783 JNSNIQPVFTWJQJ-OAHLLOKOSA-N 353.378 2.225 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc21 103545316 YDXIWVYDLUXKAY-GARJFASQSA-N 370.858 2.499 0 40 FEAB CCc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)Nc2cnccn2)C1 40149665 UMWDQSMKAVZCRI-MRXNPFEDSA-N 367.453 2.328 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 21898628 AAPHJEKJIXDJSD-CQSZACIVSA-N 372.487 2.150 0 40 FEAB COc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 2658991 JUZIBSGTGYEVQP-DHZHZOJOSA-N 366.373 2.237 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 21964263 KFMTTZBCTSOGKL-UHFFFAOYSA-N 367.295 2.002 0 40 FEAB CCOC(=O)CNC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 4171238 SGXXPZDANFAAFC-UHFFFAOYSA-N 362.407 2.043 0 40 FEAB CCCCC[S@](=O)[C@H]1CS(=O)(=O)C[C@H]1[S@@](=O)CCCCC 6397394 HBDJWXISPOPUAE-RYMBOPBQSA-N 356.575 2.030 0 40 FEAB CC1CCC(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 6552971 VMPSIPIMHNFAMP-UHFFFAOYSA-N 371.437 2.408 0 40 FEAB Cc1sc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 6679774 BDSSHLTULVYBBO-UHFFFAOYSA-N 372.512 2.140 0 40 FEAB COc1cc(/C=C2\NC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O 7915018 VRYKZHSZYOZDKL-SDQBBNPISA-N 360.391 2.260 0 40 FEAB C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1F 23702430 ALBMJHVKLKUPEQ-CQSZACIVSA-N 360.408 2.359 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc2ccc(OC)cc2[nH]1 12507056 BJLWUFZGNDKXLE-UHFFFAOYSA-N 364.471 2.037 0 40 FEAB C[C@@H](Nc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12542807 HPFIXZRMVOUBQW-MRXNPFEDSA-N 373.478 2.020 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(=Cc2cccc(F)c2)CC1 56779988 KWHUHWYBHAJQEQ-MRXNPFEDSA-N 352.431 2.202 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)C1CCCCC1 48108267 RQSCDUHRZRVGNI-MRXNPFEDSA-N 373.501 2.192 0 40 FEAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc(F)c1 44782767 AEKUYCHGGJPMLN-GOSISDBHSA-N 364.442 2.178 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c2c(C)nn(C)c2n1 58185768 FJAYDAOTMLZLRO-UHFFFAOYSA-N 371.485 2.352 0 40 FEAB O=C(NCCCN1CCOCC1)c1cccnc1Nc1cccc(F)c1 44880550 HLUVNHAECZEOQH-UHFFFAOYSA-N 358.417 2.416 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58202483 LXKSJAYGJQHAJU-JKIFEVAISA-N 363.889 2.445 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1N 3365621 VHOGCSKVXROJGL-NSHDSACASA-N 355.423 2.322 0 40 FEAB Cc1cc(O[C@H](C)C(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2114932 NHZGUYBRDIZASZ-GFCCVEGCSA-N 373.405 2.338 0 40 FEAB biogenic O=C(CSc1ccc2c(c1)CCC2)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12771405 ZLMZQWSXEUTWDG-MRXNPFEDSA-N 365.520 2.446 0 40 FEAB CSc1ccccc1C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 36412971 LGMOLLMONBXZEW-UHFFFAOYSA-N 374.466 2.101 0 40 FEAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](C(F)(F)F)C1 48309488 IYYOVRLHVHYGKS-KBPBESRZSA-N 353.348 2.258 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3523407 PJECDMSQYICLDC-AWEZNQCLSA-N 370.380 2.266 0 40 FEAB CNC(=O)c1nn(Cc2cc(-c3ccco3)on2)c(=O)c2ccccc12 12926729 SBNIBHVYWBRJFS-UHFFFAOYSA-N 350.334 2.052 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccn1 6660324 DQTLSIILEGBRFK-QGZVFWFLSA-N 367.380 2.434 0 40 FEAB COc1ccc(C)cc1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 14701155 XSLWEHMVJNTRKS-UHFFFAOYSA-N 359.426 2.078 0 40 FEAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1 4814312 SGYJPWZGQSSKSH-CQSZACIVSA-N 368.455 2.141 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc2C[C@@H]1C 9338410 SDIKEUQXBJLQRM-NSHDSACASA-N 374.418 2.483 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)on1 96931029 OGXLMGXVUGXXTO-UHFFFAOYSA-N 369.347 2.158 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N2CCCc3cc(OC)ccc32)cc1 8768348 XMHHZXFERYSZFR-UHFFFAOYSA-N 360.435 2.196 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)O)C1 95079903 MGQKLKYOXSATQI-LSDHHAIUSA-N 351.399 2.292 0 40 FEAB CC(C)n1cc(CN2CCn3cc(C(=O)N4CC=CC4)nc3[C@@H]2C)cn1 306130874 JRPLKWVWRVRLJZ-HNNXBMFYSA-N 354.458 2.249 0 40 FEAB CCc1nc2sc([C@@H](c3ccccc3)N3CCN(C)CC3)c(O)n2n1 22577789 FUOJRCLNSMCZRH-OAHLLOKOSA-N 357.483 2.396 0 40 FEAB Cc1ccc(N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1C 409406220 AVXYCBJBOJBAIF-INIZCTEOSA-N 370.515 2.389 0 40 FEAB COC(=O)c1cn(CC(C)C)nc1S(=O)(=O)N(C)c1ccc(C)cc1 67245721 JRCHLNOVSOFDOK-UHFFFAOYSA-N 365.455 2.459 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1cc2ccccc2[nH]1 520103090 JRNNJXRFJDXDQE-UHFFFAOYSA-N 362.433 2.247 0 40 FEAB CC1(C)[C@H](NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCCO[C@H]21 539498302 DZDFYPDGMSXLDM-QTLCSOKXSA-N 374.481 2.104 0 40 FEAB CN(C)Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)[nH]n1 72258560 ZJIQHTVSZYBYAJ-YJBOKZPZSA-N 373.432 2.159 0 40 FEAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1cccc(Cl)c1)S(C)(=O)=O 37021573 WYFZHYNCJXUCIY-RISCZKNCSA-N 362.879 2.036 0 40 FEAB CCOc1ccccc1NC(=O)NCc1ccnc(N2CCOCC2)n1 224220483 LZAXGPRLELCTDM-UHFFFAOYSA-N 357.414 2.034 0 40 FEAB Cc1nc2ccnn2cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 579078591 YWNQQJKFDYAJLP-INIZCTEOSA-N 365.393 2.408 0 40 FEAB COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccccc3F)C2)O1 96216459 ZJWXVTYPDWPUBW-QFBILLFUSA-N 350.434 2.102 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCc2cnccn2)cc1 583623744 PGDQCILJGLSFAJ-UYAOXDASSA-N 355.438 2.317 0 40 FEAB O=C1CCCN1[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 334059344 XTUQFXHNUNTYIL-MRXNPFEDSA-N 374.872 2.325 0 40 FEAB COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257238769 HMLPVRBHGWLBQN-IXDOHACOSA-N 352.438 2.377 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 257203823 ARUCXSGXCBRITF-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc1 257264789 LWAKHNXLHHKHCU-SFHVURJKSA-N 350.426 2.392 0 40 FEAB COc1cc(C)cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C)c1O 680614331 YBSHEMQORAFAPD-QGZVFWFLSA-N 354.406 2.331 0 40 FEAB O=C1CCCN1c1cc(CNS(=O)(=O)c2ccccc2Cl)ccn1 575605953 BMZYIUBKLLJOIL-UHFFFAOYSA-N 365.842 2.340 0 40 FEAB COC(=O)c1cc(Cl)c(N2CCN(C(=O)c3ccoc3)CC2)nc1C 76093096 FHJFCXBFOIXBGY-UHFFFAOYSA-N 363.801 2.385 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 5241149 DJQCHYNLXYRDDF-HNNXBMFYSA-N 370.405 2.427 0 40 FEAB Cc1sc2nc(C)n(C3CCN(CC(=O)NC4CC4)CC3)c(=O)c2c1C 12145419 NMQBFCLOOWWWJE-UHFFFAOYSA-N 374.510 2.299 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15956468 YVDSSLWUAOYAIG-HRNFOAQLSA-N 364.401 2.236 0 40 FEAB biogenic CN1CC2(CCC(C(=O)N3CCC(O)CC3)CC2)Oc2ccccc2C1=O 19587809 RNNYCZYKOJTNMM-UHFFFAOYSA-N 372.465 2.063 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(Cc5nc(C(C)C)no5)C[C@H]4C3)n1)CCC2 1888869885 UUXGONXAHRXMCI-GJZGRUSLSA-N 368.485 2.348 0 40 FEAB COc1cc(C)n(CCNC(=O)c2ccc(OC3CCCC3)nc2)c(=O)c1 238855383 JWQSYGLCDFOTSM-UHFFFAOYSA-N 371.437 2.312 0 40 FEAB COCCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccn1 245171841 XXRNMNCBFQUEDA-UHFFFAOYSA-N 360.410 2.097 0 40 FEAB CCSCC(=O)N1CCC[C@@]2(CCCN(Cc3ccnn3C)C2)C1 2056224536 LVMMRMOZHMYEMJ-GOSISDBHSA-N 350.532 2.378 0 40 FEAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)C3CC(F)C3)CC2)C1 1614946216 KYTKUMAEUBNITI-DAWZGUTISA-N 361.461 2.412 0 40 FEAB COCc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1 1565554584 CAOYLUHCGWPFCP-UHFFFAOYSA-N 373.478 2.232 0 40 FEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ncnc(C)c4C)CC3)O2)n1 1565542598 CYPBEMFLVVYZQT-AWEZNQCLSA-N 357.414 2.311 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1 4165781 CCUKFYSVORRMGC-UHFFFAOYSA-N 365.437 2.149 0 40 FEAB COC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O 9341283 MXDWSTAUABJLGX-LLVKDONJSA-N 351.668 2.011 0 40 FEAB Cc1nc2sc([C@H](c3ccccc3F)N3CCN(C)CC3)c(O)n2n1 22468367 VUDTXCMMKSSLFB-AWEZNQCLSA-N 361.446 2.281 0 40 FEAB Cc1cc(S(=O)(=O)NCC2(O)CCOCC2)c(Cl)cc1Cl 70638977 CFFNCVBXORQWHS-UHFFFAOYSA-N 354.255 2.122 0 40 FEAB COc1ccccc1CC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 40107013 GASSZCBHPGUEPE-CYBMUJFWSA-N 362.451 2.487 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nccs2)cc1Br 40437348 GEIZLFZPYQDJNJ-UHFFFAOYSA-N 363.258 2.393 0 40 FEAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 32095854 VZTDDUDXCHUNKJ-GOSISDBHSA-N 369.425 2.111 0 40 FEAB CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1nc(=O)c2ccccc2[nH]1 32654888 LACMBYYYHCIPGL-UHFFFAOYSA-N 362.433 2.482 0 40 FEAB CN(C)[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)c1cccc(F)c1 32730753 YPHWCGOLWOWDIP-QGZVFWFLSA-N 355.417 2.383 0 40 FEAB Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 32770985 IIHILJFKSXQMQS-UHFFFAOYSA-N 368.499 2.037 0 40 FEAB CCN1CCN(c2ccc(C(=O)N[C@H](CC(C)C)C(=O)OC)cc2)CC1 78714538 OSZNWRNYFUUKQB-GOSISDBHSA-N 361.486 2.146 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@](O)(Nc1cccc(C)c1C)CS2 102916280 WAYFSCFHPBOWJM-QGZVFWFLSA-N 360.487 2.068 0 40 FEAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N1CCOCC1 4907106 LYONDOKHGQVYLI-SDXDJHTJSA-N 366.417 2.325 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 6656331 BCKACUKOFIKGIO-UHFFFAOYSA-N 356.488 2.224 0 40 FEAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(N2C(=O)CCC2=O)cc1 22993022 OAFBOEDZVYVFFZ-UHFFFAOYSA-N 374.400 2.456 0 40 FEAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(C(=O)C2CCCC2)CC1 46875558 DGGXKUXEEMDXKT-QGZVFWFLSA-N 357.454 2.034 0 40 FEAB CN(CC(=O)OCC(=O)c1ccccc1Br)c1ncccn1 23199586 FQOSRBNMQPSYQC-UHFFFAOYSA-N 364.199 2.101 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1OC 47202357 SLOYLOCGVQUUJG-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 47217180 RYLITBVFIATDIJ-QZTJIDSGSA-N 359.426 2.387 0 40 FEAB CCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Br)cc1 8169836 DDWPACHYFFIIRQ-LLVKDONJSA-N 356.264 2.234 0 40 FEAB Cc1ccc(OCCNC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 8389406 YIDYFSIQZMDQPP-UHFFFAOYSA-N 366.417 2.485 0 40 FEAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(C)=O)n(C)n2)cc1 8635376 JCRVYTQMEJTZEB-SCTDSRPQSA-N 368.481 2.410 0 40 FEAB biogenic,in-vitro Cc1nc(NC(=O)c2nccnc2N)sc1Cc1ccc2c(c1)OCO2 24928747 RIGGVFBKZRWQNL-UHFFFAOYSA-N 369.406 2.396 0 40 FEAB C[C@@]12NC(=S)N[C@@H](c3ccccc3O1)[C@H]2C(=O)NCc1ccccc1 103078602 XTZQYSHCZWZFLX-TXPKVOOTSA-N 353.447 2.247 0 40 FEAB Cc1ccc(C)c(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 12537462 KMDCGTNGLZIPRP-UHFFFAOYSA-N 361.467 2.427 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F 57531226 HYHFZHBMZVGEHY-OUJBWJOFSA-N 366.723 2.124 0 40 FEAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)NC(C)C)n2)n1 3296195 BGGCREVHYSYWSM-UHFFFAOYSA-N 350.806 2.219 0 40 FEAB COC(=O)c1cscc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 95455623 BKZRXBGEMNTESA-UHFFFAOYSA-N 369.420 2.353 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)CSc1n[nH]c(=O)n1C1CC1 10216622 ZTIHDEVZZLOMMX-UHFFFAOYSA-N 350.419 2.186 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 27813302 IXPYDWCVPWQUJQ-UHFFFAOYSA-N 374.418 2.360 0 40 FEAB COC(=O)N1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 58309219 VCUXSYIVTPTLDO-LBPRGKRZSA-N 365.430 2.295 0 40 FEAB CC(=O)N[C@H]1CCCN(CC(=O)NC[C@H](C)c2nc3ccccc3s2)C1 58332440 DHNLMXPZZIKPHM-ZFWWWQNUSA-N 374.510 2.117 0 40 FEAB C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1cc2ccccc2o1 10816228 GTKUXMOTSPGSCG-NSHDSACASA-N 369.406 2.114 0 40 FEAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NCCc2cccs2)c1 23483861 YBUFKYTZQJJPFA-UHFFFAOYSA-N 355.485 2.079 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(C)cccc3s2)n(C)c1 12811423 WAHYBGBSKLCTAS-UHFFFAOYSA-N 364.452 2.104 0 40 FEAB O=C1CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 3425447 BPIVFOXFOXCVES-UHFFFAOYSA-N 362.385 2.288 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cccnc1Cl 3571187 BUXIVWNRMCJBCC-UHFFFAOYSA-N 357.753 2.372 0 40 FEAB CNC(=O)C1CCN([C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 12997052 CYSZNABRYINUPV-QGZVFWFLSA-N 356.426 2.121 0 40 FEAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 13555334 RNSSLAJPOYTQGI-LBPRGKRZSA-N 359.407 2.445 0 40 FEAB COc1ccc(N2C(=O)C(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 5089560 ODMGIIJUWPDIDP-UHFFFAOYSA-N 358.325 2.209 0 40 FEAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)N1CCOCC1 14183627 MNVQJKZGHJRHKX-HZPDHXFCSA-N 361.486 2.318 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1cccc(Cl)c1 14164824 RKWJLPQHSFKBOD-UHFFFAOYSA-N 357.797 2.050 0 40 FEAB CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554429 ICYCMKCFHWHAGZ-UHFFFAOYSA-N 366.414 2.166 0 40 FEAB COc1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 5450097 ZAZLMWDARDNVAV-LJQANCHMSA-N 354.362 2.391 0 40 FEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1ncc(-c2ccccc2)o1 6560635 NWAWIYADEDVHOR-UHFFFAOYSA-N 355.375 2.191 0 40 FEAB C[C@@H](CC(=O)NCCN(C)C)CC(=O)Nc1cccc(Br)c1 4691045 JEEXGNCMWUUIBC-LBPRGKRZSA-N 370.291 2.482 0 40 FEAB O=C(O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 6719860 VCCTWDOSNBFBQM-UHFFFAOYSA-N 370.430 2.236 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C1CC1 4891281 GXHMDSLLLTVZBJ-UHFFFAOYSA-N 373.482 2.260 0 40 FEAB COC(=O)N[C@H](C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C 97212428 BDBIYMPUJPVYOA-KBPBESRZSA-N 371.478 2.225 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 7848558 NEBBKFJUJTYWLG-UHFFFAOYSA-N 370.405 2.098 0 40 FEAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1 8343101 HBDOJYNJWUDSJQ-UHFFFAOYSA-N 351.362 2.038 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccncc2)nc2ccccc12 17636280 QQXCXKACZJSABJ-CQSZACIVSA-N 367.430 2.214 0 40 FEAB COC(=O)C[C@@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)cc(C)[nH]c1=O 72404448 UXIWFBPBZGRWGH-JTQLQIEISA-N 365.769 2.466 0 40 FEAB O=C([C@@H]1CSCN1C(=O)c1ccccc1)N1CCc2ccc(O)cc2C1 95356888 XIPKWHRLIFVJQB-SFHVURJKSA-N 368.458 2.492 0 40 FEAB CCN(CCO)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 98075215 LDFVAEPPGBRJHT-UHFFFAOYSA-N 362.451 2.250 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 95947246 HMVGQAGQRRAVBM-IYBDPMFKSA-N 352.390 2.014 0 40 FEAB COc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1F 75358651 GHBBKGXTCLZIIL-NOLJZWGESA-N 367.446 2.499 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)c1 32439773 OXRNYUKSGJJSKI-MRXNPFEDSA-N 352.500 2.476 0 40 FEAB Cc1nc(N2CCN(C3CCC3)CC2)cc(N2CCN(C3CCC3)CC2)n1 533101546 RECYIFVMIZXYOU-UHFFFAOYSA-N 370.545 2.134 0 40 FEAB CCn1ncc(Br)c1C(=O)N[C@@H]1CCCc2c1cnn2C 71195567 LNZLAPNARHSUHE-LLVKDONJSA-N 352.236 2.206 0 40 FEAB NC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218663406 KVNGUSYHLWIQQR-OWCLPIDISA-N 354.834 2.075 0 40 FEAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1COc2ccccc2O1 70762265 GHDJJUVLJRFWKU-NVXWUHKLSA-N 367.323 2.393 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)NCCc3cccc(Cl)c3)cc2[nH]1 32738619 RDNLXQYDMDLDMV-UHFFFAOYSA-N 351.815 2.031 0 40 FEAB Cn1nc(CC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c2ccccc21 567342836 IAFXDOLTNYFHPK-CYBMUJFWSA-N 351.410 2.392 0 40 FEAB CC(C)CCN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225423751 ZTJOLMHHYCQIEO-UHFFFAOYSA-N 353.532 2.305 0 40 FEAB biogenic,in-vitro Cc1ccc(C)c(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224360117 NALBPIBHZZLZQB-UHFFFAOYSA-N 355.442 2.248 0 40 FEAB CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 569447923 QMEBLIMBEKDSRP-LBPRGKRZSA-N 356.455 2.636 0 40 FEAB Cc1nn2c(nnc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccccc1 40391064 KKNRCQVLBJEJBJ-UHFFFAOYSA-N 362.393 2.141 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCS(=O)(=O)C1 48686458 OFNKUTFPFHLBJX-AWEZNQCLSA-N 353.875 2.419 0 40 FEAB CCCCOc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1 224239204 NGWMQPJRYNYWPS-UHFFFAOYSA-N 364.471 2.200 0 40 FEAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-n1cnnc1 222729125 MXZBAWOIGXHADD-CVEARBPZSA-N 353.455 2.005 0 40 FEAB CC1CCN(C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 224009677 ZYTHITQLVXSESH-CQSZACIVSA-N 354.472 2.108 0 40 FEAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCN1CCOCC1 95474843 QKKHKEWOQWBKIW-UHFFFAOYSA-N 362.861 2.029 0 40 FEAB Cc1occc1C(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96062438 IGKOUXRXRQUAAT-SFHVURJKSA-N 361.467 2.409 0 40 FEAB O=C(C1CCCCC1)N1CCn2nnc(COCc3cccnc3)c2C1 96256047 MRGRJEXROXICFP-UHFFFAOYSA-N 355.442 2.312 0 40 FEAB Cn1ccnc1CN1CCC2(CC1)CCN(C(=O)c1cccnc1)CC2 96158440 AXLZWBNVZNMRNQ-UHFFFAOYSA-N 353.470 2.334 0 40 FEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([C@@H]2CCCNC2)c1 95370690 AFOLVPWCPITKTB-MRXNPFEDSA-N 350.422 2.253 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccsc1)C2 96238097 NGWMYHAWZKTZOB-QGZVFWFLSA-N 361.492 2.373 0 40 FEAB O=C(C1CCOCC1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050647 NIDDUMWHULVKFE-HXUWFJFHSA-N 360.429 2.203 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1Cc2cncn2[C@H](COCC2CC2)C1 247827895 JQRRAAFMTHMGDE-INIZCTEOSA-N 355.394 2.236 0 40 FEAB COc1ccc2c(c1)OCCN(C(=O)c1cnc3c(cnn3C)c1OC)C2 585080558 AFECXQRBHRJRRA-UHFFFAOYSA-N 368.393 2.020 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@H]3COCC2CCOCC2)cs1 248001393 BYGQDVRAPULETR-HNNXBMFYSA-N 366.483 2.126 0 40 FEAB O=C(O)c1ccccc1-n1cc(CN2CC[C@@H](Cc3cnccn3)C2)cn1 257307660 SZSIQSSAUQIIMH-HNNXBMFYSA-N 363.421 2.425 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)c2c(C)noc2n1 257209958 BSNUAFWPHMCGBB-GFCCVEGCSA-N 353.382 2.355 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCN(C)C2)cn1 257335348 YJUMFCVYSDPSES-INIZCTEOSA-N 355.486 2.006 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 252515940 OVMFRLTZNCIPHT-VAMGGRTRSA-N 359.491 2.435 0 40 FEAB CC(C)S(=O)(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257305141 SOPUPUCSJXTBLH-HYVNUMGLSA-N 354.472 2.068 0 40 FEAB Cn1cnc(S(=O)(=O)N2CC[C@@H](Cc3ccnc4ccccc34)C2)c1 257214626 CMRIELBUGVSHTE-AWEZNQCLSA-N 356.451 2.222 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 618256428 IEORATJAIXDBMM-MRXNPFEDSA-N 362.437 2.016 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H](c3ccccc3)[C@H](CO)C1)CS2 618453064 GLYGTUBRACXLAZ-TVKQPGBESA-N 374.506 2.065 0 40 FEAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 621424832 HWLWQRAUFNDWSI-LVQVYYBASA-N 363.408 2.488 0 40 FEAB O=C([C@@H]1CC[C@H](c2nc(-c3cccc4[nH]ccc34)no2)O1)N1CCOCC1 624472400 YFOZNKGCAKOXKH-CVEARBPZSA-N 368.393 2.297 0 40 FEAB CN1CCC(N2CC[C@H](NC(=O)N3CC[C@H]3c3ccc(F)cc3)C2)CC1 660712420 JXLKXVQRYSGBRB-HKUYNNGSSA-N 360.477 2.451 0 40 FEAB CCC[C@H](C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ccc2nn[nH]c2n1 1775991007 HIVYBUSCSVNXQA-YXAMBPQSSA-N 370.457 2.041 0 40 FEAB COc1cccc(S(=O)(=O)N2CCc3nc4ncccc4cc3C2)c1 24880559 PXOYMLVGPBNWTD-UHFFFAOYSA-N 355.419 2.385 0 40 FEAB Cc1ccc(N2CCC3(CCN(C(=O)c4nnsc4C)CC3)CC2)nn1 585099903 WLRKGZQPDOOQML-UHFFFAOYSA-N 372.498 2.468 0 40 FEAB COc1ncccc1CN1Cc2cccn2C[C@H](Oc2ncccn2)C1 585112214 NABNUFZBUWTCKM-QGZVFWFLSA-N 351.410 2.145 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2n2cc(C3CC3)nn2)cc1 685942241 IGHIBZZLCRDUFW-INMHGKMJSA-N 354.410 2.298 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1 105768766 ZOCBYSXSSAOCGY-IIDMSEBBSA-N 361.467 2.115 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158095 QGTKLOUQBKMIBV-LJQANCHMSA-N 373.384 2.160 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 12096471 PBMKLROXHNOLBB-CYBMUJFWSA-N 351.366 2.155 0 40 FEAB O=C1C[C@@H](c2cc(=O)[nH]c(NCc3ccccn3)n2)CN1C1CCCCC1 19401970 VMVLULRCARHKEI-CQSZACIVSA-N 367.453 2.426 0 40 FEAB CC(=O)N1CCC(c2nnc3n2CCN(Cc2ccc(F)cc2)C3)CC1 19711233 YFDRIAGKBKCTFK-UHFFFAOYSA-N 357.433 2.159 0 40 FEAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@@H](C(=O)N3CCCCC3)C1)n2C 19747356 WHBBIHDBAWNXAV-LJQANCHMSA-N 369.465 2.340 0 40 FEAB COc1ccccc1CC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829894 HIWOIANVDASXEJ-GFCCVEGCSA-N 368.359 2.270 0 40 FEAB Cn1cc(C(=O)N2CCC(Oc3ncc(Cl)cn3)CC2)c(C(F)F)n1 1888853701 SOXBLMPEWUYVOD-UHFFFAOYSA-N 371.775 2.485 0 40 FEAB Cc1nc(CN(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)no1 1888890274 CLSZPZYWICHTNJ-UHFFFAOYSA-N 354.389 2.295 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C)n4)CC3)nc(C)n2)n1 1889139143 IUFAXEDLRLWVSY-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB Cc1cnn(CC2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)C2)c1 1848633532 VTSKWHJDEMDVNM-GOSISDBHSA-N 366.465 2.320 0 40 FEAB CCN(CC)[C@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl 22681684 FTCWILPLTXNQGL-OAHLLOKOSA-N 369.918 2.372 0 40 FEAB O=C(N1CCC[C@]2(COCCN(c3nccs3)C2)C1)C1(F)CCC1 1565546719 IYCZAYKBBKCSMF-INIZCTEOSA-N 353.463 2.481 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565544222 BISRZUOBSPZJPJ-ZDUSSCGKSA-N 352.385 2.386 0 40 FEAB NC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccccc1 10218361 PCNRAGRTQKQFHA-UHFFFAOYSA-N 352.437 2.040 0 40 FEAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C)n1C 12422560 PDZLKLNBYGHQPU-UHFFFAOYSA-N 372.454 2.263 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccnc(F)c2)C1 2055751439 YIZYINSRVQLXMB-FQEVSTJZSA-N 370.428 2.396 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)C1 40120329 ITGQDKJWHMMRKY-YLJYHZDGSA-N 369.509 2.294 0 40 FEAB O=C1[C@@H]2ON=C(c3cccnc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101359201 AQJDONKHRHTKHS-TZMCWYRMSA-N 372.178 2.137 0 40 FEAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F 20731841 SZETUVQOMCSPSF-HNNXBMFYSA-N 366.780 2.032 0 40 FEAB S=c1n(CN2CCN(c3cnccn3)CC2)nc(C2CC2)n1C1CC1 32899455 LWSFSYFSUMPVJW-UHFFFAOYSA-N 357.487 2.196 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3ccccc32)cc1 32850800 SOVMUPJBMQGARH-KBXCAEBGSA-N 358.463 2.466 0 40 FEAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 780988 XOVGDZCHMDZBAG-UHFFFAOYSA-N 360.399 2.088 0 40 FEAB O=C(O)CC[C@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 2700770 ICUZCWOFVITVBP-CJNGLKHVSA-N 370.405 2.063 0 40 FEAB COc1cccc(N2C(=O)N[C@@H]3CCN(C(=O)c4cccs4)[C@@H]3C2=O)c1 4236361 UQWXJPFKVHBDCW-HIFRSBDPSA-N 371.418 2.096 0 40 FEAB biogenic,in-vitro CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCc2ccco2)C1 4898166 UGEUXXZMTFTOOZ-CQSZACIVSA-N 368.441 2.121 0 40 FEAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC(C)C)C(=O)C(C)(C)O2 4965824 AFQDBCOORQDWTM-UHFFFAOYSA-N 362.426 2.280 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 6586002 BWMLSGLHQUZGAJ-AWEZNQCLSA-N 362.451 2.193 0 40 FEAB Oc1c2c(nc3cc([C@H]4CCCNC4)nn13)CCN(Cc1ccccc1)C2 100003405 HOHOCNXEZPXLTI-INIZCTEOSA-N 363.465 2.460 0 40 FEAB CN(CC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ncccn1 23199604 RKDXHWLWMGGKCB-UHFFFAOYSA-N 363.801 2.471 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(=O)n2ccsc2n1 8092526 PHPWLDTYZPOIRC-UHFFFAOYSA-N 356.451 2.443 0 40 FEAB CCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 8169834 DDWPACHYFFIIRQ-NSHDSACASA-N 356.264 2.234 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccccc2)cn1N 8725236 RGIAGRMGKQUNCF-UHFFFAOYSA-N 373.463 2.155 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1 105644532 LMXCHXMUMGLBRV-DOTOQJQBSA-N 352.500 2.358 0 40 FEAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1O 12599058 ZBXNXEBRIYWCHD-JTQLQIEISA-N 359.334 2.314 0 40 FEAB COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2c1cccc(OC)c1 9477674 AZLJXLMRDYZNLA-HXUWFJFHSA-N 366.373 2.352 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2 9646100 RTTKPQJCPKGIDY-UHFFFAOYSA-N 368.485 2.198 0 40 FEAB O=C(O)COc1ccc(S(=O)(=O)N2CCCc3ccc(F)cc32)cc1 55601108 QCNZLVQPCHLUPH-UHFFFAOYSA-N 365.382 2.431 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3c3nncn3C)cccc2c1 95453377 ALYUQVPLDLTIHB-CQSZACIVSA-N 357.439 2.198 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)OC)cc2)cc1 12584047 FTGGGGCMUFRNMI-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB O=S(=O)(c1ccc(NCc2nc3ccccc3[nH]2)nc1)N1CCCC1 25778233 LMDXCUAWGHBNLW-UHFFFAOYSA-N 357.439 2.355 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)O[C@H](C(=O)NCc1ccco1)C(C)C 43894723 KSHZMUJBPCVJPB-ZDUSSCGKSA-N 353.806 2.473 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCOc1ccc(Cl)cc1)CS2 26052810 OLEATLWYXJQJAU-XJKSGUPXSA-N 354.859 2.289 0 40 FEAB CN1CCCN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124705 VJLNLVUXIAWGDB-KBMWQNTOSA-N 354.450 2.211 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C 47927054 WYXHDPYQWAQXKU-MRXNPFEDSA-N 371.470 2.457 0 40 FEAB CCN(C(=O)CCc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 57355198 WYWQBVFAOQANAO-LBPRGKRZSA-N 352.481 2.265 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57485827 ZSPCUTSOHHILAO-UHFFFAOYSA-N 357.435 2.298 0 40 FEAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCOCC1 21934922 XMRQQELYRLTFDA-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB O=C(CNC(=O)NCc1ccnc(N2CCCCC2)c1)NC1CCCCC1 58214902 XAWGONJCLZOXLT-UHFFFAOYSA-N 373.501 2.320 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 107954339 SEYDJTMREHLSST-UHFFFAOYSA-N 362.879 2.322 0 40 FEAB CCOc1cc(C(=O)NCCNC(=O)C(C)C)cc(OCC)c1OCC 12784986 LLBMCRBBZWGTJI-UHFFFAOYSA-N 366.458 2.385 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 58369251 OJLCFZDNYBAGOV-LSDHHAIUSA-N 369.508 2.217 0 40 FEAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)C1CCCCC1 12791522 APAFWUXZMLLNFN-GUYCJALGSA-N 359.422 2.491 0 40 FEAB COc1ccc(Br)cc1[C@@H]1SCCN1S(C)(=O)=O 2200715 OLWRARLDJCZYKS-NSHDSACASA-N 352.275 2.465 0 40 FEAB O=c1n(Cc2noc(-c3cccs3)n2)nnn1-c1ccccc1Cl 45104209 SFBWICWEMYQZJS-UHFFFAOYSA-N 360.786 2.242 0 40 FEAB O=C1c2ccccc2CN1CCNS(=O)(=O)c1ccc(Cl)cc1 2324581 CZRKLRZYIASAII-UHFFFAOYSA-N 350.827 2.274 0 40 FEAB C[C@H]1CN(CCCCNCc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 62252780 LMUDIUAZJNXEKH-IRXDYDNUSA-N 357.502 2.461 0 40 FEAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)o1 3579043 XKAQCKAWDMSVDB-UHFFFAOYSA-N 351.380 2.090 0 40 FEAB Cn1c(=O)n(CCC(=O)NCCCOCc2ccccc2)c2ccccc21 25680989 BDLJMKMWRGWGFS-UHFFFAOYSA-N 367.449 2.453 0 40 FEAB CC(C)(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc2c(c1)OCO2 65492987 KWFQWLXGXZCSFD-SNVBAGLBSA-N 372.343 2.177 0 40 FEAB COc1ccccc1CNC(=O)[C@H](CCSC)NC(=O)c1ccco1 14113611 IVMQPHUWXXLLMS-AWEZNQCLSA-N 362.451 2.456 0 40 FEAB CC(=O)C[C@H]1COCCN1C(=O)COc1ccc(Oc2ccccn2)cc1 96011959 SEIFAONKMBSOIM-INIZCTEOSA-N 370.405 2.459 0 40 FEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3ccccn3)cc2O1 6661980 ZMGFLXNXIRFKLA-UHFFFAOYSA-N 356.378 2.226 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 9316567 HQTQSGBGQHIAGS-IBGZPJMESA-N 353.378 2.174 0 40 FEAB NC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1 6764596 PMSCKOPMJCINKH-UHFFFAOYSA-N 359.769 2.376 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccncc3)c2C(N)=O)C1 5718092 PMZKWSPRWARNFI-SNVBAGLBSA-N 373.434 2.162 0 40 FEAB NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 66687386 JXYTZASVEOSKQI-IUODEOHRSA-N 369.824 2.170 0 40 FEAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc[nH]1 9338972 GXORTIGNRKBDAR-UHFFFAOYSA-N 369.450 2.407 0 40 FEAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCN(c2cccc(Cl)c2)CC1 7132619 FLRPXFGGSKDMTB-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC[C@@H]1CCCO1 7313350 UHRSRVZIFZVNNR-AWEZNQCLSA-N 369.446 2.420 0 40 FEAB CC/C=C/C(=O)OCC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 9576118 RGCDMVFMHINUTI-OPGUWZMBSA-N 358.394 2.367 0 40 FEAB Cc1ccc(-n2nnnc2SCc2nnnn2-c2ccccc2)cc1 8313065 AKYFWDSFAPUAQR-UHFFFAOYSA-N 350.411 2.239 0 40 FEAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@@H]1CN1CCOCC1 73818998 RHGGGIWFGJDUIK-HXUWFJFHSA-N 372.513 2.162 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409363087 SYDILFAWOWTKRC-UHFFFAOYSA-N 360.863 2.076 0 40 FEAB Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cccc2nn[nH]c12 546693087 PZXDUHCVINBMLD-MRXNPFEDSA-N 365.393 2.128 0 40 FEAB Cn1cc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)cn1 306138075 ROLAFCQEWRKGBT-ROUUACIJSA-N 367.478 2.365 0 40 FEAB C[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)NCCN(C)C 556904291 JADYRUNUCKCDDF-HNNXBMFYSA-N 354.454 2.226 0 40 FEAB O=C(NC[C@@H]1CN(C2CCCC2)Cc2ccnn2C1)C1CC(F)(F)C1 306130064 IVMUXXWBTLMHGZ-CYBMUJFWSA-N 352.429 2.419 0 40 FEAB O=C(O)C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 35587875 ZMGOTCOTABWBMY-JTQLQIEISA-N 362.798 2.357 0 40 FEAB O=C(O)[C@H](c1ccccc1C(F)(F)F)N1CCN(c2ncccn2)CC1 566357669 HTWWLABNIFHXSV-AWEZNQCLSA-N 366.343 2.443 0 40 FEAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3c(C)nc4ccccn34)C2)nn1 225461637 RQNJWKULTLGTTN-OAHLLOKOSA-N 351.410 2.425 0 40 FEAB O=C1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 84404725 XXFOGUQHUDARRP-KRWDZBQOSA-N 350.374 2.330 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccc1Cl 225653000 IOKLLJDUVSINAN-UHFFFAOYSA-N 366.870 2.418 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 85436088 HQYLDWGKJOJPQV-MRXNPFEDSA-N 371.437 2.310 0 40 FEAB biogenic,in-vitro Cn1nncc1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 330147968 LZNUHEJYOBDVMY-UHFFFAOYSA-N 372.372 2.312 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC[C@H](COCC4CC4)N3C)CC2)cn1 96209493 KDHXIZUTMRPADK-QGZVFWFLSA-N 358.486 2.281 0 40 FEAB CCN1[C@H]2CCN(CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145737 AJTKOOOLTTZBSX-HOTGVXAUSA-N 350.484 2.333 0 40 FEAB CN(C)C(=O)N1CCC2(CC1)C(=O)N(C[C@@H]1CCOC1)c1ccccc12 96241401 JWWDELPSQWGMCX-HNNXBMFYSA-N 357.454 2.085 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257264820 LWCULIZCYNCHRH-GOSISDBHSA-N 357.458 2.033 0 40 FEAB COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@@H]5C[C@@H]43 85534345 ZOBRSZBLMUQBPR-HJXHSQNHSA-N 368.477 2.427 0 40 FEAB biogenic O=S(=O)(c1cccc(Cl)c1O)N1CC[C@@H](Oc2cccnc2)C1 632105216 QEJPANGPLCLISK-GFCCVEGCSA-N 354.815 2.283 0 40 FEAB O=C(N[C@@H]1CNCC[C@@H]1c1ccccc1)c1cncc(N2CCCC2=O)c1 638411900 SNPBTWOFPXCZEN-RTBURBONSA-N 364.449 2.084 0 40 FEAB C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2cc(O)nc(O)n2)C1 639730426 LNFGZXNZGVEXKJ-GHMZBOCLSA-N 362.817 2.358 0 40 FEAB CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2c(c1)CCOC2 659141832 ACHUQUZFUZFHPY-UHFFFAOYSA-N 355.390 2.495 0 40 FEAB CSc1cccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)c1 390829214 XKPDYLKXERVECP-UHFFFAOYSA-N 366.450 2.459 0 40 FEAB O=C(c1ccnnc1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095424 QMVOEJXMOIPUNU-INIZCTEOSA-N 362.437 2.448 0 40 FEAB O=C(NC[C@H](O)c1cccc(Cl)c1)[C@H]1CCCN(c2cnccn2)C1 46689711 VXYYOMJRISSZNG-HOCLYGCPSA-N 360.845 2.196 0 40 FEAB Cn1cc(C(=O)N2CCC(COc3ncccn3)CC2)c(C(F)F)n1 1775995811 JXQRWTVKYKVICL-UHFFFAOYSA-N 351.357 2.079 0 40 FEAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccccc3C)[nH]c2=O)cc1 105630878 GSOGPIUZCODCLI-MZTKBTAGSA-N 351.427 2.246 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(F)cc3)CC1)CC(=O)N2C 1772596224 YGDXSYGFJCJWTL-UHFFFAOYSA-N 356.401 2.329 0 40 FEAB COc1ccc(C(=O)NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 5526887 IXJDQVLZCAPLNK-OAHLLOKOSA-N 356.403 2.455 0 40 FEAB COc1ccc([S@@](=O)N2CCN(c3ccccn3)CC2)c(OC)c1C 5721594 TXSFMJIMTBECKO-VWLOTQADSA-N 361.467 2.252 0 40 FEAB CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1)Cc1cc(C)ccc1O2 12365629 AUOCCPOGLAMMMC-SFHVURJKSA-N 357.498 2.323 0 40 FEAB Cc1ccc(C)c(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 13008879 NKFCNRKLNSUIFI-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccccc2)n(C)c1 14683965 QWTBQHVOORQEQZ-UHFFFAOYSA-N 363.483 2.028 0 40 FEAB Cc1cccc2c(C[C@@H](C)NC(=O)C[C@H]3C(=O)NCCN3C(C)C)c[nH]c12 19236600 LXIAALIOWPPTQQ-QAPCUYQASA-N 370.497 2.122 0 40 FEAB CCCCn1nc(CC(=O)N(C)Cc2nonc2C)c2ccccc2c1=O 19502388 VMYULSSFUJBIIB-UHFFFAOYSA-N 369.425 2.089 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1OC 19567379 JRHHWWJRVUBDPQ-INIZCTEOSA-N 368.437 2.117 0 40 FEAB CC1CCN(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)CC1 19662871 RPNWCFVSXVQESF-QGZVFWFLSA-N 353.488 2.039 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888899174 RTQQMDFQPBCTLR-OAHLLOKOSA-N 363.421 2.418 0 40 FEAB COc1ccccc1NC(=O)CN1CCC[C@@H](N(C)c2ncc(C)cn2)C1 1888930542 VNXXPOULFFVFAP-MRXNPFEDSA-N 369.469 2.333 0 40 FEAB Cc1cc(CC[C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 1848356446 HOVQVZBMNXGETF-QGZVFWFLSA-N 351.516 2.211 0 40 FEAB Cc1cncc(CN2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)n1 1565552093 JZOXJWZJJYAYGK-QRQLOZEOSA-N 358.486 2.025 0 40 FEAB CCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1 4355932 PHMCYPXIQASMLF-UHFFFAOYSA-N 359.451 2.493 0 40 FEAB COc1cc(-c2nnc(NC(=O)c3cc(C)on3)o2)cc(OC)c1OC 9203937 ORXRFLTVTSLGLN-UHFFFAOYSA-N 360.326 2.311 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)c1 15729891 JCGZOBHEPKVSDS-UHFFFAOYSA-N 359.407 2.478 0 40 FEAB COc1cccc(CN2C[C@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)c1 2055772708 SHGLDIHKTZPRET-KBAYOESNSA-N 368.437 2.103 0 40 FEAB O=c1c2cccnc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccco1 20861172 NZTOHJCIIFSXJM-UHFFFAOYSA-N 351.337 2.387 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2cccs2)N2CCN(C)CC2)cc1 22579784 QVGURQOGBHRKDH-QGZVFWFLSA-N 359.495 2.475 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1 23143444 IUSOQYYTFHWIPB-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)Cn3cnc4ccccc43)CC2)no1 49027017 UMDCWSWQWSBFAW-UHFFFAOYSA-N 367.409 2.210 0 40 FEAB C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1nc2c(cc1=O)CCC2 585150453 LSXCWSODSQHSPE-LLVKDONJSA-N 367.434 2.450 0 40 FEAB O=C(Nc1ccccc1Br)c1cc(N2CCOCC2)ncn1 244204039 VQJQLKFBYKFJKP-UHFFFAOYSA-N 363.215 2.328 0 40 FEAB CN(C)c1cccc(C(=O)N2CCc3nc(C4CCNCC4)ncc3C2)c1 19585064 YLVMINFXYIJGEJ-UHFFFAOYSA-N 365.481 2.208 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3sc4ccccc4c3Cl)CC2)N1 40023685 RBDYOZQTCZGESO-UHFFFAOYSA-N 363.826 2.369 0 40 FEAB O=C(NCCCNC(=O)c1cccnc1Cl)c1cccnc1Cl 2752190 LNOPWPQKCOCWTA-UHFFFAOYSA-N 353.209 2.333 0 40 FEAB CCn1nnnc1SCC(=O)NC[C@@H](C)c1nc2ccccc2s1 50247623 ZZRARWZPVIPDCF-SNVBAGLBSA-N 362.484 2.315 0 40 FEAB COc1ccccc1OCCNC(=O)c1ccc2c(c1)CCN2C(C)=O 31246065 VVVVEXUIUXGLKS-UHFFFAOYSA-N 354.406 2.413 0 40 FEAB COCCOc1ccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)cn1 32827477 DWGBLSCHDJGOJA-UHFFFAOYSA-N 360.366 2.139 0 40 FEAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)[nH]n1 32906121 OIDNCRWMZFLOHE-UHFFFAOYSA-N 370.434 2.449 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801570 GHMNKYJQISVFAT-HNNXBMFYSA-N 368.842 2.403 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3c2CCCC3)CC1 79064164 WUKNQTNNLZQVRF-UHFFFAOYSA-N 372.494 2.007 0 40 FEAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(N)=O)cc1 22194441 HZMPLGLWLFIOGK-CQSZACIVSA-N 356.422 2.229 0 40 FEAB CCNc1nc(NCC)n2nc(SCC(=O)c3cccs3)nc2n1 6438827 DFMAUKJWSRHLRU-UHFFFAOYSA-N 363.472 2.419 0 40 FEAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F 8849015 OKCLYHFWOPVJEQ-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB COc1cc(/C=C2/NC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O 102898423 VRYKZHSZYOZDKL-WUXMJOGZSA-N 360.391 2.260 0 40 FEAB Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(N)(=O)=O 8009965 AQBNLEPUXVVVDC-UHFFFAOYSA-N 370.228 2.052 0 40 FEAB O=C(/C=C/c1ccco1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 1067077 VODCXZMKFINHEJ-BQYQJAHWSA-N 356.378 2.169 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(=O)[nH]1 26951635 IHBYUNRHURNWEC-AWEZNQCLSA-N 371.412 2.109 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1Cl 100357063 OURVEZCRYKGHOH-BZPMIXESSA-N 356.875 2.411 0 40 FEAB Cc1cc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)ccc1F 36071080 ILVYTIZNYBEUQO-GOSISDBHSA-N 374.437 2.264 0 40 FEAB CCOC(=O)c1c(O)c2cnc(SC)nc2n(-c2ccccc2)c1=O 100227143 MYXKCSBTWHZYBA-UHFFFAOYSA-N 357.391 2.385 0 40 FEAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108526870 QYAPCOUYYNVTNM-INIZCTEOSA-N 370.490 2.197 0 40 FEAB COc1ccc([C@@H](CNS(=O)(=O)N(C)C(C)C)N2CCCCC2)cc1 48234771 QJOROOBZCPTMEQ-GOSISDBHSA-N 369.531 2.397 0 40 FEAB C/C=C/C=C/C(=O)OCc1nc(CC(=O)Nc2ccccc2OC)no1 3335468 JDNUDZQBDDLRPB-COBAKMAKSA-N 357.366 2.435 0 40 FEAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2nccs2)CC1 10672837 STQDQHKATVWDRL-CQSZACIVSA-N 374.491 2.295 0 40 FEAB Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1C 58345464 RQDNUEWWJJRLMC-TXEJJXNPSA-N 351.472 2.228 0 40 FEAB COc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 2266163 JWMFKLIYXAMOHW-HNNXBMFYSA-N 363.377 2.471 0 40 FEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 28833092 ZPNZDFVDRXPGMN-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N1CCc2sccc2C1 36392529 OPZRCGCOBASGHH-UHFFFAOYSA-N 366.464 2.324 0 40 FEAB COC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 12778538 OUXQNFJTAYFPHL-MYSGNRETSA-N 363.410 2.280 0 40 FEAB CN(CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)c1ccccc1 45838051 SZBLNKYVTUFRHN-UHFFFAOYSA-N 353.300 2.104 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1n[nH]c(=O)c2ccccc12 29263912 HHTOAJIWRURWOK-UHFFFAOYSA-N 362.389 2.411 0 40 FEAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)c1 12790703 ZLAQFVOEKLIDBO-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB Cn1c(SCCC(=O)NC(=O)NCc2ccccc2)nnc1C1CC1 48325018 FUBUDKTYEWIZQK-UHFFFAOYSA-N 359.455 2.201 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCOC)cc1 3490810 GPTFRLVOZYBDML-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(CNC(C)=O)cc1 13006758 DQTPWHCROYNTLX-UHFFFAOYSA-N 372.421 2.279 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CC2(C(=O)O)CCCCC2)c1C 13468078 FHIXSDLJJGRHOC-UHFFFAOYSA-N 368.455 2.315 0 40 FEAB COCCCn1c(N)c(C(=O)O[C@H](C)COC)c2nc3ccccc3nc21 4327476 CBAORSDJTYTFGR-GFCCVEGCSA-N 372.425 2.395 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609501 MKHQAPSLHNRERH-UHFFFAOYSA-N 352.500 2.405 0 40 FEAB Nc1nc(N)nc(CSCCOc2cccc(Br)c2)n1 14014048 JFIDIWYKBSMTEM-UHFFFAOYSA-N 356.249 2.111 0 40 FEAB CC(C)c1n[nH]c(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 14110879 OGZQUASYZMCREN-LBPRGKRZSA-N 362.455 2.319 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1 14197637 TYTSVNWGMFTHSB-UHFFFAOYSA-N 352.387 2.003 0 40 FEAB CCCNC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5428121 SAVBFAKMHZCWHL-KRWDZBQOSA-N 357.454 2.462 0 40 FEAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1cccc(S(C)(=O)=O)c1 4770485 UBROCQQHKGHPST-DOMZBBRYSA-N 367.471 2.049 0 40 FEAB Cc1nnc2n(c1=O)[C@H](CS(=O)(=O)c1ccc3ccccc3c1)CS2 4735837 PHQNLYPZNQKTCR-AWEZNQCLSA-N 373.459 2.221 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCCCO 217582775 YSOFOYPQMRUQBS-UHFFFAOYSA-N 370.471 2.180 0 40 FEAB O=C(CN1CCCC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8245490 RIJGYYORMSBBOG-UHFFFAOYSA-N 353.426 2.232 0 40 FEAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccccc1N1CCCC1=O 9748700 DXTUYMJREIUKTP-UHFFFAOYSA-N 368.422 2.167 0 40 FEAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(c2ncccn2)CC1 9723718 QNUYVHZFDDAHHJ-UHFFFAOYSA-N 365.481 2.425 0 40 FEAB COc1cc(C(=O)N(CC(F)F)C(C)C)cc(Cl)c1OCC(N)=O 84597256 SVROOJSKPDGOKJ-UHFFFAOYSA-N 364.776 2.328 0 40 FEAB CC1CCN(c2nnc(S[C@@H]3CCOC3=O)n2C[C@@H]2CCCO2)CC1 95349061 HOKCDJFYQVXPKA-UONOGXRCSA-N 366.487 2.101 0 40 FEAB CC(C)(C)C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)C(C)(C)C1 95463293 IGDQROPLKAIVHN-UHFFFAOYSA-N 362.474 2.375 0 40 FEAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc3cn[nH]c3c2)cc1 75103762 JHMUVFUIIZVQBO-UHFFFAOYSA-N 359.407 2.170 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OCC(C)C 409003514 SKTDOJYXSYSNOM-ZDUSSCGKSA-N 355.822 2.213 0 40 FEAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)C(C)C)cc3)nn12 408624429 TWSYLBAVCSBTRR-UHFFFAOYSA-N 374.495 2.308 0 40 FEAB CNC(=O)c1ccc(NC(=O)CNC(=O)CCc2ccc(C)cc2)cc1 501820219 IKWBXIGZSGXIND-UHFFFAOYSA-N 353.422 2.042 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1 36182849 YURUTWZNYCIASB-UHFFFAOYSA-N 356.429 2.085 0 40 FEAB Cc1ccn(C[C@@H](C)CNC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616348 PZISGDSTPUOIFM-LBPRGKRZSA-N 352.442 2.417 0 40 FEAB COc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)cc1 225930146 FBIARDSLFNAWRR-UHFFFAOYSA-N 352.437 2.206 0 40 FEAB CCCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225463425 YKUPZISPKPTCGN-UHFFFAOYSA-N 354.457 2.259 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 43456749 MFPXLVGOLYEXON-UHFFFAOYSA-N 374.466 2.256 0 40 FEAB O=C(NCCCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225572141 HFAKLAKNMWAIKU-UHFFFAOYSA-N 362.451 2.427 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)N2CCN(c3cccs3)CC2)ccn1 135930266 VIZWKIABXWJIAW-UHFFFAOYSA-N 359.455 2.199 0 40 FEAB CCC1CCC(N(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 48354347 SYSADQKCEBQOBN-UHFFFAOYSA-N 364.490 2.173 0 40 FEAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1ccccc1C(N)=O 75165724 JNBONWDSISMNSJ-INIZCTEOSA-N 353.378 2.090 0 40 FEAB COc1cc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc(OC)c1OC 224292953 FQTNMMSNSWIWOO-UHFFFAOYSA-N 360.414 2.438 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 40160035 TZXFGALWNRCGQZ-KRWDZBQOSA-N 357.362 2.285 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1csc2ccccc12 225698139 XGYXCJDNJYPRNX-CQSZACIVSA-N 360.460 2.429 0 40 FEAB CCn1cc(CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cn1 331385889 CKCUSXVAWTYJRL-UHFFFAOYSA-N 365.503 2.134 0 40 FEAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)[nH]n2)cc1 98212524 CWAQWDLIMBFLBG-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccccc1 96518222 LOGKJFJAMNHPAZ-SECBINFHSA-N 358.584 2.242 0 40 FEAB CC(C)c1n[nH]c(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)n1 95479085 HDLYWWNJXUKKNM-UHFFFAOYSA-N 372.816 2.444 0 40 FEAB O=C([C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 96241642 XCIZIJMHJMASBK-IEBWSBKVSA-N 370.493 2.155 0 40 FEAB Cc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)NCc3ccco3)=NO2)C1 96225869 DRLVEIADSKYBGJ-GOSISDBHSA-N 373.434 2.327 0 40 FEAB O=C1c2nn(Cc3ccc(F)cc3)c(=O)n2CCN1Cc1ccccc1F 98213064 DSHOMOQNTNAYKO-UHFFFAOYSA-N 370.359 2.027 0 40 FEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1 96036861 PTNNITQWGHVXTO-KRWDZBQOSA-N 372.469 2.235 0 40 FEAB O=C(c1ccnnc1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216344 KFGMWGQAQPNWRK-NRFANRHFSA-N 366.465 2.484 0 40 FEAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1cccc(F)c1)C2)N1CCCC1 247741058 NZTRGWLRLGSMHJ-SFHVURJKSA-N 362.445 2.198 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc(C(F)F)n4n2)CC3)C1 631488206 FICVIFZRKYCDEF-UHFFFAOYSA-N 360.372 2.187 0 40 FEAB C[C@H]1COCCN1CCN1C(=O)N[C@H](c2cccc3ccccc23)C1=O 1262199571 SNYLHDJDNXNSFZ-KBXCAEBGSA-N 353.422 2.153 0 40 FEAB O=C(NCCn1ccc(C(F)(F)F)n1)c1cc2ccccc2oc1=O 96098989 VEOMRHOEHCIHTF-UHFFFAOYSA-N 351.284 2.438 0 40 FEAB O=C1c2cccnc2C(=O)N1CCNC(=O)C1(c2cccs2)CCCC1 390828720 BRVRBYIPTPELKT-UHFFFAOYSA-N 369.446 2.367 0 40 FEAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 585277544 IKKHAMAAXFVYDN-MRXNPFEDSA-N 358.360 2.199 0 40 FEAB CNC(=O)[C@]1(C)CCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 585282259 CFASPODMPSOTQZ-LJQANCHMSA-N 363.477 2.005 0 40 FEAB COc1ccc(NC(=O)Cn2cc(C)c3ccccc32)cc1S(N)(=O)=O 50550558 WAVPAFGPPOMNOK-UHFFFAOYSA-N 373.434 2.244 0 40 FEAB CC(C)CS(=O)(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008977 UFMTXYHVFZVLAS-UHFFFAOYSA-N 367.393 2.324 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 79970264 FXAYLELTPHUQBX-KRWDZBQOSA-N 357.414 2.342 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 40074188 HEWSUBUOTJQPFS-QGZVFWFLSA-N 364.449 2.351 0 40 FEAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 13153218 PPZYWGRLAWHOLR-HZSPNIEDSA-N 355.360 2.433 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H](c3ccc4c(N)ncnc4n3)C2)cc1 19704889 XDHASNWRAGINNJ-AWEZNQCLSA-N 363.421 2.174 0 40 FEAB Cn1cnnc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 157223286 XVHDEPKMRLVHOI-UHFFFAOYSA-N 363.421 2.459 0 40 FEAB Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CC(=O)NC2CC2)c1 10879637 JDVDPLLUUGYRRT-UHFFFAOYSA-N 372.494 2.318 0 40 FEAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(=O)[nH]c1 9872021 UTMGGQCQFWFIBD-UHFFFAOYSA-N 352.394 2.054 0 40 FEAB NC(=O)c1cc(OC2CN(C(=O)c3cccc(C(F)(F)F)c3)C2)ccn1 1889149413 SQWCDFFVEBBOCL-UHFFFAOYSA-N 365.311 2.103 0 40 FEAB O=C1CC[C@@H](C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)N1 2086968298 XWWCFYFVHJTEBE-SFHVURJKSA-N 364.449 2.492 0 40 FEAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)C2CC(F)(F)C2)cn1 1565551434 QHUGJMSWJJLKOY-HOTGVXAUSA-N 353.413 2.404 0 40 FEAB CC(C)N1CC[C@]2(CN(C(=O)CCF)C[C@@H]2c2ccnn2C(C)C)C1=O 1565556112 NCGDCLGFLGAZOZ-DNVCBOLYSA-N 364.465 2.377 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1C 4166066 ATQQDGJFPAWCAF-UHFFFAOYSA-N 365.437 2.212 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccco1 4653789 YKMOXNDVNARZFW-CQSZACIVSA-N 359.304 2.153 0 40 FEAB Cc1cc(C)cc(-n2ccn(CC(=O)Nc3ccccc3F)c(=O)c2=O)c1 8588311 CVBKLZJFWDSQMM-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@@]1(CC2)CCN(C(=O)[C@]2(C)CC=CCC2)C1 2055794524 ZCKZIBRIMPJJEQ-UXHICEINSA-N 371.485 2.037 0 40 FEAB COCc1ccc(C(=O)N2CC[C@@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)cc1 2055772127 ZOOKAOIIAIXDAH-BRWVUGGUSA-N 356.426 2.252 0 40 FEAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccncc4)cnc3c2c1 35424205 RYFVPMRNXVIINT-UHFFFAOYSA-N 361.405 2.288 0 40 FEAB Cn1cc([C@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 548336866 JYEBNNQMCGUMTE-OAHLLOKOSA-N 363.439 2.107 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)NC[C@H](c1ccco1)n1cccn1 575613941 MLXMGXXIAMTKEN-OAHLLOKOSA-N 372.406 2.326 0 40 FEAB CN1CCC(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)CC1 78759046 XGVYGLVXNCNUBN-UHFFFAOYSA-N 353.426 2.147 0 40 FEAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 15360670 WYXRXMPUBBGUGW-UHFFFAOYSA-N 358.463 2.356 0 40 FEAB CC(=O)NCc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 30029884 NAEPQJVJNCGJLQ-HXUWFJFHSA-N 351.450 2.452 0 40 FEAB C[C@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 40047549 YHRGIPXDXCHCHS-WBMJQRKESA-N 355.360 2.480 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCSc3ccccc32)CC1 32338822 ZPSMHLDFTKSJAU-AWEZNQCLSA-N 354.497 2.011 0 40 FEAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1Nc1cccc(F)c1 52427603 CIZFTTLKZLLMPS-GFCCVEGCSA-N 363.414 2.129 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(n2cccc2)CC1 103716410 KUMPRRTWXDZOIM-IRXDYDNUSA-N 357.454 2.217 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 6818420 HHTAEQHGZPEERA-UHFFFAOYSA-N 368.484 2.343 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6946771 VMIIDNYAIQDDAV-KBPBESRZSA-N 356.488 2.447 0 40 FEAB Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422706 ZEKWBAKPWYICMF-UHFFFAOYSA-N 353.357 2.144 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)o1)C(=O)NCc1ccccc1 54057132 MMAGFWDFXMEODI-JTQLQIEISA-N 351.200 2.477 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-n4cncn4)cc3)cn2)n1 47217123 XNAMNGRJVZRENJ-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB C[C@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)N1C[C@@H](C)O[C@H](C)C1 105874268 HWOHYMHVFQYIDJ-MCIONIFRSA-N 357.410 2.258 0 40 FEAB CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 25386216 RDOQRHZOFQIHJP-INIZCTEOSA-N 355.394 2.081 0 40 FEAB CC(=O)N[C@@H]1CCCN(CC(=O)NC[C@H](C)c2nc3ccccc3s2)C1 107348826 DHNLMXPZZIKPHM-DZGCQCFKSA-N 374.510 2.117 0 40 FEAB C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc2C1 43750408 NYIUIAMEABYUIE-OAHLLOKOSA-N 372.490 2.267 0 40 FEAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(S(C)(=O)=O)CC1 52798595 VETOYEJEBJSFIF-NSHDSACASA-N 370.862 2.028 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)NCC1(c2ccccc2)CC1 26385972 NKYQOOMKVXYIMZ-UHFFFAOYSA-N 366.465 2.449 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)N1CCN(c2nccs2)CC1 26302945 NTBXPFBDCIJKRQ-UHFFFAOYSA-N 372.498 2.170 0 40 FEAB CC[C@H](C)NC(=O)CCNC(=O)CCc1c(C)nc2cc(C)nn2c1C 58182805 KNBZYLGDVGNYBT-LBPRGKRZSA-N 359.474 2.008 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)CCO1 58291655 HIYGOORYPFPDJT-CYBMUJFWSA-N 367.862 2.045 0 40 FEAB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 170612672 HDHIZXDDRJMVJT-UMNHJUIQSA-N 363.416 2.141 0 40 FEAB Cc1ccn2c(=O)c(C(=O)NCCCOCc3ccccc3)cnc2c1 36393048 GFIXMWCKUCAAKX-UHFFFAOYSA-N 351.406 2.340 0 40 FEAB COc1ccc(CN2CCN(c3cnnc(O)c3Cl)CC2)cc1OC 24340651 YLECUDVUOUJHQC-UHFFFAOYSA-N 364.833 2.175 0 40 FEAB Cc1noc(C)c1CCNC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 170966769 CJZAVGRIIABHEC-UHFFFAOYSA-N 374.416 2.141 0 40 FEAB CCCCn1c(COC(=O)C2CCC2)nc2cc(S(N)(=O)=O)ccc21 24073132 SGTXXXRSXXBPFF-UHFFFAOYSA-N 365.455 2.327 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 11027217 CYGZJKDNDJPKMO-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1cccc(F)c1F 45545745 AMNXKVLSFMVDST-JTQLQIEISA-N 373.450 2.363 0 40 FEAB COc1ccc(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 11368863 KAIQXRPGRNTIGX-UHFFFAOYSA-N 374.462 2.208 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)nc1 29293065 XPDMTJKURQTILA-UHFFFAOYSA-N 374.828 2.269 0 40 FEAB O=C(NCc1ccoc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 48311380 QEBWSRVWGIQYDB-UHFFFAOYSA-N 363.377 2.459 0 40 FEAB Cc1cccn2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)nc12 8746419 SWKCCAMGWCPYIH-ZDUSSCGKSA-N 356.451 2.241 0 40 FEAB CCc1nnc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)s1 8750661 HVDKXKFBNFIRNG-UHFFFAOYSA-N 374.513 2.201 0 40 FEAB O=C1CN(C(=O)CSc2nnc3n2CCCCC3)c2ccccc2N1 6097164 BNDPBDZBSGWDAH-UHFFFAOYSA-N 357.439 2.082 0 40 FEAB CCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCSCC3)c2)n1 71768246 FUDAYPJIPCRWAR-UHFFFAOYSA-N 370.438 2.069 0 40 FEAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(N2CCOCC2)cc1 6362042 KEOKUJYRMABYAR-AWEZNQCLSA-N 359.451 2.276 0 40 FEAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 14111462 YVGORKUFZOLUKG-LBPRGKRZSA-N 367.396 2.169 0 40 FEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 14139047 KTGVKDNPVFCOIV-UHFFFAOYSA-N 370.427 2.160 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2cc(Br)ccc2=O)c1 14142401 OAJYAPPIYFUILT-UHFFFAOYSA-N 364.199 2.208 0 40 FEAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4513014 MTQYJHHMXDNQSQ-AWEZNQCLSA-N 367.405 2.176 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)c1n[nH]c(=O)c2ccccc12 6651858 FIARHTHJXCDZMA-UHFFFAOYSA-N 352.346 2.491 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(NC(N)=O)c1 14600314 NKWUGPXINACIMN-LBPRGKRZSA-N 353.378 2.312 0 40 FEAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(F)c1 5676200 WNVMVTVNUWSASS-UHFFFAOYSA-N 369.425 2.479 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)N[C@@H]1CCCc2ccccc21 9162539 ISEORWQMNQLUBY-LJQANCHMSA-N 368.433 2.441 0 40 FEAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 4958934 KNXAAFPFWPKXOW-UHFFFAOYSA-N 372.402 2.063 0 40 FEAB O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 4985349 KPSSBPBVWGYSDD-UHFFFAOYSA-N 356.451 2.445 0 40 FEAB C[C@H](OC(=O)Cc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026049 JPDGRRLIPHXDSF-NSHDSACASA-N 367.448 2.477 0 40 FEAB CN(Cc1ccncc1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005140 UZEYYJKFUSAWIL-KRWDZBQOSA-N 365.499 2.024 0 40 FEAB COc1ccnc(N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)n1 96002424 ZIKCNOMHZLEVBR-GFCCVEGCSA-N 371.363 2.439 0 40 FEAB CC(C)n1nnnc1-c1ccccc1NC(=O)CCn1ccccc1=O 96010229 YJEJYVUGACOTHB-UHFFFAOYSA-N 352.398 2.112 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc2O1 15617091 QGNHXSPOAVOPJU-HNNXBMFYSA-N 362.332 2.442 0 40 FEAB Cc1nn(Cn2ccc(C(=O)N3CCCC3)n2)c(C)c1Br 28233287 GHUISUYCYZJUBS-UHFFFAOYSA-N 352.236 2.201 0 40 FEAB CCc1ccc(-c2nc(C)c(C(=O)OCC(=O)N3CCNC3=O)s2)cc1 7722391 PTGURNOWFQXLFX-UHFFFAOYSA-N 373.434 2.390 0 40 FEAB COc1ccc(CN(CC(=O)N(C)CC(=O)NC(C)(C)C)C2CC2)cc1 16355004 QVCMQUMKNXVGNN-UHFFFAOYSA-N 361.486 2.033 0 40 FEAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1 9426566 KUDYKTWMWWFJRY-WDEREUQCSA-N 354.476 2.048 0 40 FEAB COc1ccc(-c2noc(CSc3nnc(N)s3)n2)c(OC)c1 8293688 CAMAXGWIJMWKIK-UHFFFAOYSA-N 351.413 2.480 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2cccnc2)C1 70037464 GILIYRGIWXEMCL-ROUUACIJSA-N 367.449 2.250 0 40 FEAB CCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C)C1=CCCCC1 8395521 NYZNCAYFBGVKKN-UHFFFAOYSA-N 368.503 2.057 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C12CC3CC(CC(C3)C1)C2 9499801 ZECOEURHUGPLBJ-RBMPZETESA-N 373.497 2.428 0 40 FEAB CCOC(=O)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17275111 JUASJUJYJVTCPH-UHFFFAOYSA-N 373.434 2.492 0 40 FEAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)CCO2)cn1 97012910 JFXQJUXVBGRMNN-GOSISDBHSA-N 361.467 2.061 0 40 FEAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 9949536 IKSXPYPJWHTTQA-QMMMGPOBSA-N 355.297 2.351 0 40 FEAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)O)cc3)C2=O)c1 89470138 FAMSVHCMUJYISE-INIZCTEOSA-N 354.362 2.066 0 40 FEAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ccsc4)C[C@@H]23)n1 306132453 LJGQMEPHEIAUBI-BPUTZDHNSA-N 359.451 2.403 0 40 FEAB O=C(Nc1cccnc1)c1ncn2c1-c1nc(NCC3CC3)ncc1CC2 306139857 UCOOXRALZCUZSQ-UHFFFAOYSA-N 361.409 2.365 0 40 FEAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCc2[nH]c3ccccc3c2C1 72401051 JXDNEOBPPAZANM-UHFFFAOYSA-N 362.368 2.481 0 40 FEAB CC(C)=CC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980663 QUWMQHAIVOJQQM-QGZVFWFLSA-N 358.438 2.257 0 40 FEAB CCn1nc(C)c(CN(C)S(=O)(=O)c2cn(C(F)F)nc2C)c1C 36615098 XODXNWWAQHNYKR-UHFFFAOYSA-N 361.418 2.241 0 40 FEAB O=C1CC[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H](c2ccccc2)N1 562715757 CZAOTAWRXVVUIK-QAPCUYQASA-N 352.390 2.208 0 40 FEAB O=C(CCn1cnccc1=O)N1CCCN(c2ccccc2Cl)CC1 571635760 NQDBSURGISFRHF-UHFFFAOYSA-N 360.845 2.026 0 40 FEAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 42646647 JPJXTRQGKYIRDA-UHFFFAOYSA-N 356.378 2.457 0 40 FEAB CC(C)n1c(Cl)nc2cc(C(=O)NCCN3CCOCC3)ccc21 225987954 HAKDQBVTHRRTJY-UHFFFAOYSA-N 350.850 2.333 0 40 FEAB Cn1nc(N2CCC(C(=O)Nc3cccc4cccnc34)CC2)ccc1=O 85470931 WDKYIPNRYSDDPM-UHFFFAOYSA-N 363.421 2.184 0 40 FEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cncc(OC(C)C)c1 331879115 IECLBBRLDIARMD-KRWDZBQOSA-N 358.442 2.433 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(Br)c1 196370890 JAYMFRYWIBHXEG-LOWDOPEQSA-N 352.184 2.350 0 40 FEAB CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccccn3)CC[C@H]2C1=O 96043538 RFUVTTNNGAWMCL-DFQSSKMNSA-N 357.498 2.425 0 40 FEAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccccc3F)CC2)N1 96199953 YKVNGBMOVGZTSC-INIZCTEOSA-N 353.397 2.499 0 40 FEAB Cc1cccc(COC[C@H]2c3nnn(C)c3CCN2Cc2ccoc2)n1 96198478 USPKRAOKCVMNTI-SFHVURJKSA-N 353.426 2.428 0 40 FEAB Cc1ccc2ncc(C(=O)N3CCCC[C@@H]3c3nnc(CN(C)C)o3)n2c1 583622147 SHTJBZNWSFQDTQ-CQSZACIVSA-N 368.441 2.455 0 40 FEAB CCOc1ccnc(N2CCCN(C(=O)[C@@H]3Cc4ccccc43)CC2)n1 330177829 DFSWSVNDLPXRSU-QGZVFWFLSA-N 352.438 2.254 0 40 FEAB O=C1c2nn(CCc3ccccc3)c(=O)n2CCN1Cc1ccccc1F 98213072 UREXISHRSUJUHG-UHFFFAOYSA-N 366.396 2.083 0 40 FEAB Cc1nc(CN2CCC3(CCN(Cc4nccn4C)CC3)C2=O)cs1 96157854 YVAMPTXPEGFWDP-UHFFFAOYSA-N 359.499 2.200 0 40 FEAB O=C(NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccco1 247493861 NPZZUPTUUXAXOU-KRWDZBQOSA-N 372.469 2.155 0 40 FEAB Cc1nnc(N2CC3(C[C@@H](COCc4cccnc4)CCN3C)C2)s1 248161901 YABUOBPRZKKGCJ-HNNXBMFYSA-N 359.499 2.359 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)C2CCOCC2)C3)cs1 248041724 PETHGNREEOLZLU-OAHLLOKOSA-N 368.524 2.481 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccnn2C)C3)n1 248075999 ZBROVVSVVVGXKB-HNNXBMFYSA-N 358.467 2.040 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](Cn1nccn1)c1ccccc1 253472862 QDELYJKOCNJEOU-MRXNPFEDSA-N 360.414 2.445 0 40 FEAB Cc1cc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccc3F)C2)on1 253600030 CKSXCBXYYPRPCT-AWEZNQCLSA-N 356.357 2.422 0 40 FEAB COc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)ccc1C 618201037 LAANVVIKPIIOML-LPHOPBHVSA-N 353.422 2.348 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C(F)F)nc1 623004106 GHBXYCCNFGGNIG-AWEZNQCLSA-N 352.362 2.419 0 40 FEAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 635015501 PGIMDMGAUJGNSP-AWEZNQCLSA-N 356.344 2.326 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 644001494 OHWUDVYZKWVXPY-FQEVSTJZSA-N 353.422 2.273 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)c1C 585276032 LHWJVUXUJIMZSB-CRAIPNDOSA-N 359.445 2.496 0 40 FEAB CSc1nc(C(F)F)cc(N2CCN(c3ncc(F)cn3)CC2)n1 574098710 BWNKZQJPUUNXAP-UHFFFAOYSA-N 356.377 2.392 0 40 FEAB COc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 5918623 MFWGEJDSBSSDEC-SJLPKXTDSA-N 370.405 2.406 0 40 FEAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(S(C)(=O)=O)C3)cc2n1 12257575 HRZRHTOPWZIEEG-JTQLQIEISA-N 362.377 2.196 0 40 FEAB O=C(O)c1ccc(CCC2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 12364684 QDNSABPXEOICJR-UHFFFAOYSA-N 366.483 2.370 0 40 FEAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 15350774 AMNUZWHSANUOKZ-GFCCVEGCSA-N 373.906 2.403 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 19018343 KSBHSESOJSXORE-IAGOWNOFSA-N 368.481 2.444 0 40 FEAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)n1 19237971 CBJFFKYUPHXGFA-KDOFPFPSSA-N 368.485 2.017 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1 19554298 RHRVJDPZGVJPLS-LJQANCHMSA-N 366.465 2.427 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3ccccc3F)n2CC1 19706363 HQFKYPBKJDSSHX-QGZVFWFLSA-N 357.433 2.159 0 40 FEAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(C)nc2c1 19749049 KRDSHWNHNKMZTI-HNNXBMFYSA-N 358.442 2.019 0 40 FEAB CC(C)c1noc([C@H](NC(=O)N[C@H]2CCO[C@H]2C)C2CCOCC2)n1 583614752 ZUHLTUXWDJOYRG-FPMFFAJLSA-N 352.435 2.137 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)c(C)o1 1888843475 ABMFXIPJQGHWHJ-STQMWFEESA-N 360.389 2.048 0 40 FEAB O=C(c1cnccn1)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888899336 WPEKANUFBWNSJK-IAGOWNOFSA-N 372.432 2.142 0 40 FEAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 21324170 XUNOINQJXPOYTG-GIPNMCIBSA-N 370.327 2.492 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@]12CCCN(Cc1nccs1)C2 2037873523 SRLXSAVUOHWTJA-AYBZRNKSSA-N 357.479 2.347 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 16974300 PSJBNBAFZKYRRU-UHFFFAOYSA-N 370.424 2.307 0 40 FEAB COc1ccc(C(=O)CSc2nnc(-c3ccc(=O)n(C)c3)n2C)cc1 23136413 JXPLYTZOUBGVIK-UHFFFAOYSA-N 370.434 2.164 0 40 FEAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NC)cc1 48991079 QBCMNORHCAOIAC-UHFFFAOYSA-N 354.453 2.332 0 40 FEAB COc1ccccc1[C@H](CNC(=O)CN1CCSC1=O)N1CCCC1 40007822 MWECVQOTQMCCAB-HNNXBMFYSA-N 363.483 2.117 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1ccc(OC)cc12 100030025 JBSLWVQWZUIFCE-ZQIUZPCESA-N 350.440 2.234 0 40 FEAB COc1ccc([C@H](CNC(=O)c2cnn(C)c2-n2cccc2)N(C)C)cc1 32202066 RRBFNMKDMRDNQT-SFHVURJKSA-N 367.453 2.252 0 40 FEAB COc1cc2ncn([C@H]3C(=O)Nc4ccc(C)cc43)c(=O)c2cc1OC 32547822 YUWSLKCBYOZVML-QGZVFWFLSA-N 351.362 2.264 0 40 FEAB CCN1CCc2nc(NC(=O)c3ccc(-n4cncn4)cc3)sc2C1 21295588 FSEIBTNQTQANEW-UHFFFAOYSA-N 354.439 2.354 0 40 FEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 70715079 XPABESOBVKXJDN-KRWDZBQOSA-N 371.506 2.253 0 40 FEAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(F)cc2)n1 11915248 YUVMGODYDOMCEG-UHFFFAOYSA-N 374.191 2.034 0 40 FEAB CC(C)NC(=O)CCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 52829880 HWBDNHRMMDDXHA-CYBMUJFWSA-N 352.866 2.300 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@@H](C(=O)C(F)(F)F)[C@@](O)(C(F)(F)F)N1 103357234 RZHJVSSVXQYSRJ-VAOFZXAKSA-N 356.222 2.039 0 40 FEAB CCOc1c(Cl)cc(C(=O)OCC(=O)N2CCCC2=O)cc1OC 4495642 KXOSDDNUXKGLSA-UHFFFAOYSA-N 355.774 2.053 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 42081009 YWZBRRKSVFOQPZ-LSDHHAIUSA-N 370.419 2.441 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CS(N)(=O)=O)cc1 55580454 XSIDMZFHDXMPAF-UHFFFAOYSA-N 374.871 2.238 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccccc2C)c1 55693407 CGYFBPUEFHWUEF-CQSZACIVSA-N 362.451 2.100 0 40 FEAB CN1C(=O)c2ccc(NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2C1=O 107326570 VACYEPHAFUCAHF-RWMBFGLXSA-N 370.405 2.220 0 40 FEAB CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3202915 ZJYNVIXATKQWMF-MRXNPFEDSA-N 366.483 2.112 0 40 FEAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCC(=O)CC1 57050769 VFECNSCQBOICAE-UHFFFAOYSA-N 363.801 2.211 0 40 FEAB COc1ccccc1N1CCN(C(=O)NCc2cccnc2OC)CC1 26385311 WRJOMFMANCMHDY-UHFFFAOYSA-N 356.426 2.131 0 40 FEAB Cc1c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C 3277474 UFETUQMWVOQZLU-HUUCEWRRSA-N 356.470 2.401 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2ccccc2)CC1 26519820 HPFQRDJPGDNIRF-QGZVFWFLSA-N 353.422 2.358 0 40 FEAB COCCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1 26539444 XGINCOZDBHGTGB-UHFFFAOYSA-N 374.422 2.093 0 40 FEAB CCc1cc(=O)n(CC(=O)Nc2cc(C)n[nH]2)c(-c2cccc(F)c2)n1 57508340 DLFDDHVIIWOZRN-UHFFFAOYSA-N 355.373 2.282 0 40 FEAB COC(=O)c1ccc(F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 44760894 NVGLMRQOITXWOX-UHFFFAOYSA-N 351.355 2.268 0 40 FEAB O=C1CCCN1c1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1 58159568 BFZAWBDTSIAALC-UHFFFAOYSA-N 356.407 2.491 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)s1 36071102 CCLGXHUMVYYBFI-OAHLLOKOSA-N 362.476 2.187 0 40 FEAB O=C(CNc1ccc(C(=O)N2CCc3ccccc32)cc1)N1CCOCC1 58209646 PIQWTGVXDMOTKT-UHFFFAOYSA-N 365.433 2.160 0 40 FEAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC)C(=O)O)ccc12 2148587 XDZNWFCGULWVRH-HNNXBMFYSA-N 361.394 2.494 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)N/N=c2\c(=O)c3cccc4cccc2c43)cc1 104112289 DGVNQGQEYHWYGB-ZZEZOPTASA-N 350.399 2.331 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CCN(Cc1ccncc1)C2=O 108527038 MCFJMIFTRJISPY-HXUWFJFHSA-N 353.470 2.220 0 40 FEAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 36390066 GGTGMXSLONEEMK-UHFFFAOYSA-N 367.449 2.325 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CC1CCCC1 11029584 PJCKAJABXYCPHH-UHFFFAOYSA-N 362.426 2.182 0 40 FEAB COC(=O)c1c(NC(=O)Cn2ccccc2=O)sc2c1CC[C@@H](C)C2 12938603 PNOHFISRWIBWNC-LLVKDONJSA-N 360.435 2.460 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)no1 12948415 PGBFFNBAJPXABW-JOYOIKCWSA-N 361.329 2.118 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 39978273 GGFRCCQIFOBVFW-CQSZACIVSA-N 351.472 2.186 0 40 FEAB COc1ccc(-c2noc(CSc3nc(C)cc(=O)[nH]3)n2)cc1OC 4385875 UYSVYFUMVWMLAP-UHFFFAOYSA-N 360.395 2.438 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 13985286 BPDJXPLAYRPWFZ-UHFFFAOYSA-N 370.456 2.096 0 40 FEAB CN(C)c1ccc(NC(=O)C[C@@H](NCCc2ccccc2)C(=O)O)cc1 6319913 HWIGDGNCSOELKY-GOSISDBHSA-N 355.438 2.367 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1 9217389 INUBJYFFFRIIPR-MRXNPFEDSA-N 357.385 2.318 0 40 FEAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 14108899 LTSWISVZDXQGQX-CQSZACIVSA-N 354.204 2.108 0 40 FEAB CCn1cc(CN2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)cn1 306130015 ITZJFQRXWXRFJC-KRWDZBQOSA-N 371.485 2.452 0 40 FEAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 15952010 GWHKXHYCKANVSO-ZDUSSCGKSA-N 353.378 2.153 0 40 FEAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 7769929 VITXZWKWSNKPET-HNNXBMFYSA-N 351.406 2.340 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc21 7705502 KAXSTZHMBGRVJS-MRXNPFEDSA-N 372.446 2.262 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccc(N(C)CCO)cc1)N1C[C@@H](C)O[C@H](C)C1 95451238 NGGIZWGYZOFUBO-MDZRGWNJSA-N 363.502 2.187 0 40 FEAB CN1CN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1=O 95995980 HTGDXJTWKLNESY-CYBMUJFWSA-N 374.491 2.219 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]([C@H](C)O)C2)nnn1-c1cccc2ncccc12 89556333 GSXWWRZIYCTKLK-LSDHHAIUSA-N 365.437 2.357 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(Cc4ncc(-c5cnn(C)c5)n4C3)C2)o1 306133004 LYOVVLALNDCESM-HXUWFJFHSA-N 367.453 2.260 0 40 FEAB COCc1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 22448367 YMURSAUOQBKACK-UHFFFAOYSA-N 368.359 2.262 0 40 FEAB CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)C1CC1)C2 306133607 MQTIBVRAXOEXKG-UHFFFAOYSA-N 373.501 2.231 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc4c(c3)cc(C)c(=O)n4C)C2)n[nH]1 515047105 JGICGZYLYKCUKA-ZDUSSCGKSA-N 366.425 2.295 0 40 FEAB O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCCC2(C1)OCCO2 528869088 XJCXWJHIZUCTOD-UHFFFAOYSA-N 359.348 2.217 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NC[C@@H]1CCCO1 409202192 PWBGNGWWABVNHX-IAOKNECISA-N 364.398 2.157 0 40 FEAB COCCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217579544 JDLWIWHZQJVIJH-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218590559 GZPIUKGUOFDJAC-DVOMOZLQSA-N 374.890 2.073 0 40 FEAB O=S(=O)(NCC1CCN(c2nc3ccccc3o2)CC1)c1cccnc1 70923807 BJMNEONHGMXIMP-UHFFFAOYSA-N 372.450 2.418 0 40 FEAB Cc1c(C)c(NC(=O)/C=C\C(=O)O)c(C)c(C)c1NC(=O)/C=C\C(=O)O 31723542 QGURKEDVMAPLBA-SFECMWDFSA-N 360.366 2.079 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C 72324209 RXEGKVUGUABEHY-GOSISDBHSA-N 372.469 2.499 0 40 FEAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc3c(c2)OCO3)n1 35426020 VMAJHCPOJKEUKR-ZDUSSCGKSA-N 366.381 2.175 0 40 FEAB biogenic,in-vitro CC(=O)Nc1cc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)ccc1C 562620707 NLOPATOLVWIXQN-GOSISDBHSA-N 368.389 2.444 0 40 FEAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NCc1ccncc1 79479787 JEZAKJMNGZVISO-UHFFFAOYSA-N 360.215 2.364 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 72355412 TXPCCCBJXXLQFT-INIZCTEOSA-N 363.421 2.447 0 40 FEAB COc1ccccc1C(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386129 JHWOUKDSCVKAFG-MRXNPFEDSA-N 350.374 2.487 0 40 FEAB COc1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2OC)cc1 43748331 RZXOHJIIBFYEAJ-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB Cc1ccc(N2CCCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)nn1 334052152 SNAUUFNALZSAKQ-SFHVURJKSA-N 352.438 2.218 0 40 FEAB Cc1ccsc1CN1CCC2(CC1)C[C@H](OCC(=O)N(C)C)CO2 96106602 DHZOZTOGFWEFQD-HNNXBMFYSA-N 352.500 2.285 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2cnccn2)CC1 90678155 UXMSXNAYAXESFO-UHFFFAOYSA-N 359.860 2.424 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCn3cnc(COCC4CC4)c3C2)c1 96260193 AAXBYPMNSPPCTC-UHFFFAOYSA-N 361.467 2.323 0 40 FEAB Cc1cnc(C(=O)N2CC[C@]3(CCCN(Cc4ccccn4)C3)C2)cn1 96158062 JFMGDCKTRWTTOP-FQEVSTJZSA-N 351.454 2.308 0 40 FEAB COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc3nn[nH]c3n2)C1 580531255 MYCOXLLKANUDAN-GFCCVEGCSA-N 353.382 2.045 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)c(N)c1I 95094708 UYYOMYKCFXUDBN-UHFFFAOYSA-N 357.151 2.236 0 40 FEAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@H]1COCCN1C1CCCC1 585139498 FANMQXMEGUXTKQ-QZTJIDSGSA-N 360.454 2.270 0 40 FEAB Cc1csc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)c1 257331856 XUOQCQHCOCPUGU-RDJZCZTQSA-N 352.500 2.133 0 40 FEAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260892913 FJCWORYMACDBFL-QMTHXVAHSA-N 360.863 2.028 0 40 FEAB COC(=O)c1ccc([C@H](NC(=O)NCC2(C(=O)O)CC2)C(F)(F)F)cc1 596061104 CDEGBLVAMNLTTL-NSHDSACASA-N 374.315 2.241 0 40 FEAB CCc1nsc(N2CCCN(C(=O)c3cnn4ccccc34)CC2)n1 608487189 GHVWVOYTTFRJOB-UHFFFAOYSA-N 356.455 2.101 0 40 FEAB Cc1nnc2n[nH]c(NC(=O)Cc3cccc(N4CCCC4=O)c3)c2c1C 614654415 UNCQCOFXDKJIRJ-UHFFFAOYSA-N 364.409 2.278 0 40 FEAB CCN(CC)Cc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 632713784 KXQFGJGPIXBSCC-UHFFFAOYSA-N 369.469 2.407 0 40 FEAB COc1ncc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)cn1 1123950959 WNWXGOGPSWKNBF-UHFFFAOYSA-N 360.439 2.499 0 40 FEAB COc1cc(C)ccc1NC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 652385799 PTUGOIFGLVDTOS-QGZVFWFLSA-N 352.456 2.436 0 40 FEAB COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cn(C)nn4)CC3)c2c1 679950930 QDBPEBWSGSODAV-UHFFFAOYSA-N 368.441 2.394 0 40 FEAB NC(=O)Nc1ccc(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1 1623771560 DURUWCXERJDSJF-ZDUSSCGKSA-N 356.407 2.384 0 40 FEAB COCCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1cccc(F)c1)C2 585102622 COGBQRQKTIDGGP-FXAWDEMLSA-N 362.445 2.150 0 40 FEAB O=S(=O)(NCC[C@@H]1CN(C2CCCC2)Cc2cccn2C1)C1CC1 585095511 UUNICPIICQGUEV-HNNXBMFYSA-N 351.516 2.334 0 40 FEAB CO[C@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1Cc1ccc(C)cc1 585290817 GTVXSDCBEPESQD-IEOLRMJASA-N 372.509 2.289 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 585271578 HNONKTOKHWBEDA-HXUWFJFHSA-N 357.454 2.094 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(F)cc3F)CC1)CC(=O)N2C 1772596220 XPANSYXXGYCENY-UHFFFAOYSA-N 374.391 2.468 0 40 FEAB O=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)NCCc1ccccc1 5002399 HNSRJOVWEVHJIV-UHFFFAOYSA-N 369.446 2.412 0 40 FEAB COc1cccc([C@H]2CN(C(=O)CCn3nccc3C)[C@@H]3CCCN[C@H]23)c1 19238489 ZLJXPVMUBILXHD-SFHLNBCPSA-N 368.481 2.337 0 40 FEAB Cc1ccc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 36390180 QLOGEFLHXVEISH-GOSISDBHSA-N 352.438 2.371 0 40 FEAB O=C(NC[C@H]1CCCO1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 1888866762 IEFCECHNKUMZSD-GFCCVEGCSA-N 372.450 2.462 0 40 FEAB NC(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 1126090209 IIVIUEWEBUGKPI-UHFFFAOYSA-N 355.419 2.401 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846410 QRERSEWKTQQGDG-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB CCS(=O)(=O)N(C)CC(=O)N(Cc1ccccc1)Cc1ccccc1 175891479 TZWPPDRHQCAATE-UHFFFAOYSA-N 360.479 2.497 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4cnccc34)C[C@@H]2C)cn1 2087000757 PYAGNXGIKJUTHM-AWEZNQCLSA-N 350.426 2.139 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccc(CC)cc4)c(C)cn23)n(C)c1=O 4250591 HUEVCUUSDPOFLQ-UHFFFAOYSA-N 365.437 2.419 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5351658 DCAURUKHZYKRRI-CQSZACIVSA-N 366.845 2.148 0 40 FEAB CCCCCn1c(S)nc2cc(C(=O)N3CCN(C)CC3)ccc2c1=O 20102277 XXXHSUZCFXYAKG-UHFFFAOYSA-N 374.510 2.263 0 40 FEAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCOCC2)c1 23157880 JHVYKKQAAJZRIN-CQSZACIVSA-N 360.439 2.235 0 40 FEAB O=S(=O)(CCc1ccccc1)NCCN1CCO[C@H](c2ccccc2)C1 36700162 HWZXKPLLXNHCHX-FQEVSTJZSA-N 374.506 2.222 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1 225706711 UWFFJXWNHVXPRL-UHFFFAOYSA-N 372.450 2.200 0 40 FEAB CCOC(=O)c1cccc(NC(=O)Cn2nc3c(cc2=O)C[C@H](C)CC3)c1 21110600 RQKBEUJUZKPCLQ-CYBMUJFWSA-N 369.421 2.184 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 40113326 JXJURHZILYMWCU-QGZVFWFLSA-N 365.433 2.106 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)s1 31814236 PXWBHVBHNLSXPV-UHFFFAOYSA-N 358.341 2.448 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2OC)CC1 31903936 MBSRKIDHGQXTOB-UHFFFAOYSA-N 355.456 2.276 0 40 FEAB COCC(=O)NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 32096244 SDMXZELGBHKRNB-UHFFFAOYSA-N 365.433 2.182 0 40 FEAB O=C(COc1ccccc1CNCc1nnc2ccccn12)N1CCCC1 60843791 HLQWSSUIXKKDRF-UHFFFAOYSA-N 365.437 2.020 0 40 FEAB Cc1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)ccc1-n1cnnn1 76127151 OSTIIADQRWQPDZ-OAHLLOKOSA-N 350.382 2.096 0 40 FEAB Cc1ccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1Cl 103000979 HWPRQLGQDMMXGH-UHTWSYAYSA-N 352.803 2.016 0 40 FEAB biogenic O=C(COC[C@@H]1CCCO1)Nc1cc(Cl)ccc1N1CCOCC1 78680386 ZMBCZVKOQWXVTC-AWEZNQCLSA-N 354.834 2.311 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967577 ZCSDJVGKLBEGCJ-NVXWUHKLSA-N 374.481 2.394 0 40 FEAB C[C@H](NC1CCCCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6603058 KVQMQEPHXDVAQP-ZDUSSCGKSA-N 353.488 2.364 0 40 FEAB Cc1sc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N(C)C 6679440 YBTBCRAEJMNPTL-UHFFFAOYSA-N 368.436 2.257 0 40 FEAB CCn1ccc([C@H](C)NC(=O)c2cc3ncc(Br)cn3n2)n1 2808803 DHKAKVGZUGPJBN-VIFPVBQESA-N 363.219 2.199 0 40 FEAB O=C([C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F)C(F)(F)F 8941497 KLEHINJTODMJFT-RNSXUZJQSA-N 372.290 2.204 0 40 FEAB CC(C)NC(=O)CCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 57391166 CJVMMQSWPHUUOS-GOSISDBHSA-N 361.442 2.123 0 40 FEAB COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1c(CO)nc2ccccc21 23387552 MIDCMLGIDYPYOR-OAHLLOKOSA-N 370.405 2.180 0 40 FEAB CCNC(=O)NC(=O)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 23864793 JHUXKYANHFWTRR-KRWDZBQOSA-N 355.394 2.092 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCN(c3ccccc3)C2)s1 24816072 SQJUJOJFUKRJFK-OAHLLOKOSA-N 357.479 2.429 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 25107329 PGEUFZUUYWJGPK-UHFFFAOYSA-N 374.466 2.151 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(OCC(N)=O)cc3)c2O1 1425428 VGFMLNZHNBNKOP-UHFFFAOYSA-N 370.405 2.282 0 40 FEAB O=C(NCC(=O)N1CCCC1)c1ccc2nc(-n3cccc3)sc2c1 12407462 GQGYYTJIVKLDRM-UHFFFAOYSA-N 354.435 2.439 0 40 FEAB COCCCNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 27969869 SSRILFKBOOCVFE-UHFFFAOYSA-N 352.232 2.460 0 40 FEAB Cc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1Cl 21596147 FFSWCNALHGTHFZ-UHFFFAOYSA-N 352.851 2.418 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)N1CCC(n2cccc2)CC1 57610753 CNVOMFNXVWQNEF-UHFFFAOYSA-N 356.474 2.395 0 40 FEAB COc1cc(N[C@H](C)C(=O)NCC(F)(F)F)ccc1N1CCCC1=O 10185150 VCNDQKHOONWJKL-SNVBAGLBSA-N 359.348 2.301 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 3217058 FBMAEIKRQOFECD-UHFFFAOYSA-N 373.405 2.228 0 40 FEAB O=C(COC(=O)C1=COCCO1)NC(c1ccccc1)c1ccccc1 3235610 ZLTYWZUZNVQHJE-UHFFFAOYSA-N 353.374 2.324 0 40 FEAB Fc1cccc(N2CCOC[C@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 107795201 MOIWSTDMTVTDNG-KXBFYZLASA-N 358.417 2.340 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 24243076 HESCQXDPTWTQGT-CQSZACIVSA-N 351.878 2.004 0 40 FEAB NC(=O)COc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 11515476 KKDJPDURERGYKW-UHFFFAOYSA-N 350.321 2.082 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 60093218 GXNLPGGXFBRUPT-UHFFFAOYSA-N 372.296 2.206 0 40 FEAB C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 408999399 CQLAYWZXNFVFAW-LESCRADOSA-N 354.406 2.498 0 40 FEAB O=C(NCCOc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(Cc2ccco2)C1 48375250 CSFFSXZLMWGPAA-QGZVFWFLSA-N 368.433 2.312 0 40 FEAB Cc1noc(C)c1[C@@H](C)NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O 70936491 ZCMXIMBTAJNQEY-SNVBAGLBSA-N 371.441 2.293 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O)c1ccccc1 3596774 FQUSTWWAEZNMGT-MAUKXSAKSA-N 365.433 2.417 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1COCC 3546485 MPAOOLBRSLPOGG-NSHDSACASA-N 362.382 2.360 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1 71011231 OYOOPSQHEWEGER-UHFFFAOYSA-N 350.378 2.268 0 40 FEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@H](Cc1ccccc1)C(C)=O 13420108 QLGPNKYGXKSHBK-MRXNPFEDSA-N 371.389 2.089 0 40 FEAB O=C(O)/C=C/C(=O)N1N=C(c2cccs2)C[C@]12C(=O)Nc1ccccc12 13629621 WQJYUFZTPJGUNJ-DVBCCOPCSA-N 367.386 2.173 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(Br)c(C)cc1OC 9061926 URHOTOXJCUCMRA-UHFFFAOYSA-N 366.277 2.471 0 40 FEAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(I)cc1 39975686 PAUXZEPARBCDCJ-GFCCVEGCSA-N 358.179 2.241 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc21 5266645 GCJXLRPSJHCOGR-UHFFFAOYSA-N 370.434 2.297 0 40 FEAB COc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(C(C)=O)c1 14114954 BRUQHDFDBZSYPT-UHFFFAOYSA-N 357.362 2.322 0 40 FEAB O=C(CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1)Nc1ccccc1 4591495 IOBMRSHYFCUWIZ-UHFFFAOYSA-N 353.403 2.155 0 40 FEAB CCN(CC)CCNC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 4681487 RMOYPUQHCLSKPN-UHFFFAOYSA-N 355.866 2.062 0 40 FEAB COc1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 4704947 SGTMWHSQVFHOLO-UHFFFAOYSA-N 362.451 2.138 0 40 FEAB C[C@@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 14795677 RFCVVFSKNBXBPZ-LLVKDONJSA-N 364.492 2.450 0 40 FEAB COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1N1CCCCC1 6994187 QXUXLQCLSBAUDQ-GFCCVEGCSA-N 361.471 2.232 0 40 FEAB Cc1cc(C)c(CNC(=O)CCNC(=O)c2ccccc2Cl)c(=O)[nH]1 7118034 KNLKVHGBKYIRAL-UHFFFAOYSA-N 361.829 2.081 0 40 FEAB C[C@@H](C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1cccnc1 174554050 SCZZITFRWGGDRB-CYBMUJFWSA-N 359.376 2.448 0 40 FEAB Cn1c(SCC(=O)c2ccc3c(c2)CC(=O)N3)nnc1-c1ccncc1 8541304 VQMVOQMXVNPVBW-UHFFFAOYSA-N 365.418 2.347 0 40 FEAB COc1cccc(CNC(=O)CCC(=O)NCC(=O)c2ccccc2)c1 72280521 GYJCCLDRJVJPIN-UHFFFAOYSA-N 354.406 2.091 0 40 FEAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 60320003 PHRKLBCNGSXPFF-AWEZNQCLSA-N 360.454 2.471 0 40 FEAB COc1ccc(CN(C)C(=O)COC(=O)c2c(C)noc2C)cc1F 24735503 DWILVJNBTNHDOA-UHFFFAOYSA-N 350.346 2.255 0 40 FEAB C[C@H](CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(N)(=O)=O 95454867 VFJOWPLGRNVIJB-ZCFIWIBFSA-N 359.757 2.157 0 40 FEAB CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2CCCN2c2nccs2)cc1 75554659 LHBQKDTUHXYFCG-HNNXBMFYSA-N 358.467 2.130 0 40 FEAB C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1ccc(C(F)(F)F)n1 27973893 GHZGOWVOMXMHKM-NSHDSACASA-N 370.331 2.041 0 40 FEAB O=C(c1ccc2ncccc2c1)N1C[C@H]2OC[C@H](CN3CCCC3)[C@H]2C1 306144911 ZRYYXWKIMLYJAB-NLWGTHIKSA-N 351.450 2.418 0 40 FEAB NC(=O)N[C@H](CC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)c1ccccc1 532245275 DEZJFGOVPDHUDD-QZTJIDSGSA-N 369.421 2.092 0 40 FEAB Cc1nn2c(=O)cc(CSc3nnc(NC4CC4)s3)nc2s1 32936566 RDWVVHYJXTVQJP-UHFFFAOYSA-N 352.470 2.178 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1 72345414 SPMSJFZRHWEYKZ-QGZVFWFLSA-N 368.437 2.189 0 40 FEAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccco1 31071406 ATYGKKMSGWDPJA-UHFFFAOYSA-N 363.222 2.181 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 569105307 HELPMRSJUGFPRM-AWEZNQCLSA-N 360.421 2.846 0 40 FEAB Cc1ccc(NCCNS(=O)(=O)c2ccc3nc(C)sc3c2)nn1 49422526 BQEISJQXAROKTO-UHFFFAOYSA-N 363.468 2.094 0 40 FEAB CSCC[C@@H](C(=O)Nc1ccc2nnn(C)c(=O)c2c1)n1cccc1 575444005 OAFZGWKZIZKFPV-HNNXBMFYSA-N 357.439 2.063 0 40 FEAB Cc1c(C(=O)N2C[C@H]3[C@H](N)CCC[C@H]3C2)nnn1-c1ccc(F)c(F)c1 573566115 XHFKNGSXQBHIOT-NORZTCDRSA-N 361.396 2.053 0 40 FEAB CCC(CC)CN1CC[C@@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 96225992 MNKWUTRMGVDYOY-LJQANCHMSA-N 359.474 2.058 0 40 FEAB Cc1ccc(CN2CCO[C@@]3(CCC[C@@H]3COCC(=O)N(C)C)C2)o1 96159915 XTPLQEPDJVQMIF-APWZRJJASA-N 350.459 2.064 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 96053352 WWPZXUDPNKMHGH-INIZCTEOSA-N 374.481 2.475 0 40 FEAB O=C(Cc1ccccn1)N1CCOC[C@@H]1c1csc(N2CCCC2)n1 96217873 VJXMXAYYJWDWIX-MRXNPFEDSA-N 358.467 2.281 0 40 FEAB Cc1[nH]c2c(Cl)cccc2c1CCNC(=O)CSc1nnnn1C 95471395 AONFVKCFONTEFK-UHFFFAOYSA-N 364.862 2.104 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(Cc4ccco4)CC[C@H]3C2=O)n1 96107171 KMUZDAWIYUCMRU-MOPGFXCFSA-N 355.438 2.233 0 40 FEAB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccccc1 96519941 LONMSSTWYRDACA-DTWKUNHWSA-N 360.600 2.092 0 40 FEAB CCOC[C@@H]1CN(c2nc(OC)ncc2Cl)C[C@H]1c1cnn(C)c1 585655452 DGIWXCZAJGPAOK-STQMWFEESA-N 351.838 2.129 0 40 FEAB C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 251055287 UBYDYCTYEIGTTB-YWDSYVAPSA-N 372.437 2.424 0 40 FEAB COc1ccc(S(=O)(=O)NCc2cnn3c2CCCC3)cc1Cl 252489836 KCBBIDZNMSMKJP-UHFFFAOYSA-N 355.847 2.360 0 40 FEAB Cc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 257322533 WGJKBTNNXSWDCG-FQEVSTJZSA-N 374.460 2.207 0 40 FEAB Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@H](c4ccco4)C3)C2)nn1 370322715 BFQLJTNSSNAZGP-DOTOQJQBSA-N 371.441 2.130 0 40 FEAB CCN(CC)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)CC1 592732914 NJFFBKOYQKGHIS-MSOLQXFVSA-N 359.470 2.405 0 40 FEAB Cc1ccccc1CN(C)C(=O)Cn1cnc2c1CCNC21CCOCC1 1615588359 DVXLGVHTAAFWRD-UHFFFAOYSA-N 368.481 2.002 0 40 FEAB Cn1cc([C@H]2CN(c3ccc(C(=O)Nc4ccccc4)nn3)CCO2)cn1 75106982 CALGQJFVGQUGMJ-QGZVFWFLSA-N 364.409 2.040 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)Nc2ccccc2CS(C)(=O)=O)c1 89493134 DGAAIOHSYCFRPG-HSZRJFAPSA-N 365.476 2.362 0 40 FEAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 84200023 LWKXBLXUVSLTCL-LLVKDONJSA-N 361.398 2.327 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1cccc2cccnc12 11288237 HVCLFMSQYVVPFR-UHFFFAOYSA-N 372.402 2.248 0 40 FEAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2CCS(=O)(=O)C2)n1 12227737 VQZWBOFXDLAWII-STQMWFEESA-N 370.521 2.348 0 40 FEAB O=C(Cc1cccnc1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19374837 NXQBXVVPSSPHMF-UHFFFAOYSA-N 365.433 2.244 0 40 FEAB COc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(OC)c1 19551966 GUGDJADZNBIFPB-QGZVFWFLSA-N 368.437 2.117 0 40 FEAB COCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 19212857 OIWJZLSCKMPKHB-IBGZPJMESA-N 366.461 2.426 0 40 FEAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2cc(C(F)(F)F)ncn2)CN(C)C1=O 1888844343 VPBBIMICKDYOCG-BHPQUYAUSA-N 370.375 2.243 0 40 FEAB Cc1cc(N(C)C2CN(c3nc(O)c(F)c(C(C)C)n3)C2)n2nccc2n1 1888875607 QAPCLEVBYWWJQJ-UHFFFAOYSA-N 371.420 2.121 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](COc3ccc(C)nn3)C2)c1 1888881926 SEFBYLBHPOXHIM-INIZCTEOSA-N 361.467 2.491 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3cnn(C)c3)C2)cc1C 2037913189 YJYVAOIEBVQMAN-NRFANRHFSA-N 371.481 2.402 0 40 FEAB CC1CCC(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)CC1 1565551372 DCKKQKVMKOXJRV-UHFFFAOYSA-N 358.486 2.357 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(F)cc1 9660984 IIRYXRVIFKBPBK-UHFFFAOYSA-N 373.409 2.028 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(OC)c(OC)c1 10256274 GJHHBDODSXHKBA-OAHLLOKOSA-N 355.394 2.413 0 40 FEAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 17289005 CWCBOEUDFKLXTL-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 40103313 NDENMHMVOVTLSD-UHFFFAOYSA-N 365.430 2.440 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O 31654366 JJNMHLOITYGIKS-SFHVURJKSA-N 352.350 2.221 0 40 FEAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NCCC(C)C)cc1 51319359 DOFAYKRYERKUQP-UHFFFAOYSA-N 373.453 2.302 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 51443600 LTMRDVWWEDRLHU-SNVBAGLBSA-N 367.243 2.286 0 40 FEAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NCc3ccco3)cnc12 32104665 HJBAFHILDWUKND-UHFFFAOYSA-N 352.350 2.064 0 40 FEAB Cn1c(SCc2cc(=O)n3ccsc3n2)nc2sccc2c1=O 20866637 KITJXFNJMABDRX-UHFFFAOYSA-N 362.461 2.357 0 40 FEAB Cc1ccc(-c2nc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cs2)cc1 32740752 JDCFKGVUCPYDFK-INIZCTEOSA-N 350.465 2.426 0 40 FEAB COc1ccccc1OCc1nnc(SCC(=O)N2CCCC2)n1C 904627 IIONRVXDVDYBHP-UHFFFAOYSA-N 362.455 2.117 0 40 FEAB COc1ccc(-n2ncc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1 1330741 DTWDJDPDKVDSKP-UHFFFAOYSA-N 360.373 2.474 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2ccon2)CC1 77275080 CQZRJFRUSDXVRB-UHFFFAOYSA-N 361.876 2.286 0 40 FEAB O=C1C[C@H]2C(=O)N(Cc3ccccc3)[C@@H]1C=C2S(=O)(=O)c1ccccc1 1620117 MNUVVQLLWRCHGX-IAGOWNOFSA-N 367.426 2.344 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79488317 LNSNWATZZUTRGZ-ZDUSSCGKSA-N 362.865 2.013 0 40 FEAB CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767055 XMMJXEVAGGDSDT-UHFFFAOYSA-N 350.827 2.451 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O 6879676 HBAQKVBEBSUFOX-LCYFTJDESA-N 364.423 2.266 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cccc(-n2cccc2)c1)C(=O)OC 7105805 BODOYARQHVEMRZ-RDTXWAMCSA-N 372.421 2.338 0 40 FEAB Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 23438940 YUJFPGPNRPVBEQ-QGZVFWFLSA-N 367.449 2.285 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24929042 PSGYWANUILYAMY-VXGBXAGGSA-N 372.343 2.382 0 40 FEAB CCc1ccc(-c2noc(CN3CCN(c4ncccn4)CC3)n2)cc1 57293419 TYKLLESUEYZMPX-UHFFFAOYSA-N 350.426 2.411 0 40 FEAB Cc1[nH]c(C(=O)OCC(=O)NCC(F)(F)F)c(C)c1C(=O)OC(C)C 12569013 SDQRBVQWWWSLRP-UHFFFAOYSA-N 364.320 2.032 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NCC(C)C)cc(OC)c1OC 3291627 SQBKHNYFRZEDCI-VOTSOKGWSA-N 351.399 2.041 0 40 FEAB COc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1cccs1 25309063 HRGNVEFCMXRAMN-UHFFFAOYSA-N 358.416 2.203 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)O[C@H](C)C(=O)NC3CCCC3)ccc12 3329282 UTCRHRWZGOWGJF-CYBMUJFWSA-N 373.405 2.471 0 40 FEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1 23055331 YBDFUTQYZYFMLT-UHFFFAOYSA-N 362.817 2.033 0 40 FEAB CCN(CC)CCNC(=O)CSc1nnc(C)n1Cc1ccccc1 45000046 PXTVTSFXIPYQTG-UHFFFAOYSA-N 361.515 2.185 0 40 FEAB CCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 28303075 OAUNFUYDFJOKDL-UHFFFAOYSA-N 354.472 2.494 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CSc2nnnn2C(C)(C)C)cc1 28447193 XOPKFHZYNHHBTO-ZDUSSCGKSA-N 350.444 2.163 0 40 FEAB Cc1ccccc1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36452018 UJGOIOUQKGDVNG-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2402768 JDRAQFXCNZIIPO-UBGXMQACSA-N 357.406 2.101 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12990228 XXVKKVBGDSEGDW-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB O=C(Nc1nncs1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 12981135 CFMRUHANNIQIEY-QMMMGPOBSA-N 367.228 2.292 0 40 FEAB CC(=O)Nc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)ccc1O 8771529 BRDOYYGCJDTADK-UHFFFAOYSA-N 371.422 2.380 0 40 FEAB C[C@]1(NC(=O)CNc2ccc(SC(F)F)cc2)CCS(=O)(=O)C1 39987652 KTAONBMCLAMYBR-AWEZNQCLSA-N 364.439 2.107 0 40 FEAB C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)NC(N)=O 14093674 GGZPVBUQVXWADY-GXTWGEPZSA-N 374.466 2.405 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(F)c1 5314608 LVVJBGGYWVXICO-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1cc(C)cc(C)c1 14181923 JTFGMVIPYNQRMH-LJQANCHMSA-N 352.434 2.382 0 40 FEAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(C)n3C)CC2=O)cc1 6859510 PEHBMQXHLNHQSO-OAHLLOKOSA-N 355.438 2.402 0 40 FEAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)[nH]c2c1 67158772 QLQVKUPITKKUQS-ZIAGYGMSSA-N 361.467 2.012 0 40 FEAB COc1cc2nc(CSC3=N[C@@H]4CCCC[C@@H]4N3)[nH]c(=O)c2cc1OC 9478027 YTIIQYMXVIFUEL-TXEJJXNPSA-N 374.466 2.444 0 40 FEAB O=C(NCc1cccc2cccnc12)N1CCC(CN2CCOCC2)CC1 68885678 AXQAWJBGGPIYCT-UHFFFAOYSA-N 368.481 2.489 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cnn(-c2ccccc2)n1 9533792 MSGZPYDLEAMQBH-UHFFFAOYSA-N 350.378 2.011 0 40 FEAB CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Cn1cnc2ccccc2c1=O 95418740 QAZAMAIKOBZONX-UHFFFAOYSA-N 373.416 2.445 0 40 FEAB C[C@@H](O)c1cn(C2CN(C(=O)CSc3ccccc3Cl)C2)nn1 95998111 PKHMHLAEHLWYLT-SNVBAGLBSA-N 352.847 2.160 0 40 FEAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CC[C@H](C)O 75092851 QOKUZFRELZRPRF-HOCLYGCPSA-N 352.500 2.076 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)nn(C)c2C)c1 24591427 NJPGZPPQZADNQY-UHFFFAOYSA-N 358.442 2.075 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)cs1 548682131 DGFGCFQKOOTCQJ-JSGCOSHPSA-N 352.435 2.433 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358771 RUSFOWHRUBIALY-AWEZNQCLSA-N 364.446 2.269 0 40 FEAB Cn1c(CO)nc2cc(C(=O)NCc3ccnc(OCC4CC4)c3)ccc21 1542915664 BERATZAJWNLOOK-UHFFFAOYSA-N 366.421 2.179 0 40 FEAB COc1cccc(CNC(=O)COC(=O)Cc2ccccc2C)c1OC 72331063 AFGQSSSYGNGZSI-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)n(C)c2ccccc12 72325976 RIPBNQYPSRYAMO-KRWDZBQOSA-N 364.401 2.053 0 40 FEAB biogenic C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCN(C)CC1 78578806 UIFNMVDBGOIATD-QGZVFWFLSA-N 355.482 2.361 0 40 FEAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NC(C)C)C1=O 72343104 NJZDWZFHMLGVKX-KXBFYZLASA-N 372.421 2.390 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218620388 BJVJTQCRRMOEPG-BRWVUGGUSA-N 350.871 2.244 0 40 FEAB Cc1cc(Nc2nncs2)nc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72360092 NDKFRJIGPRTPGA-LBPRGKRZSA-N 356.459 2.483 0 40 FEAB Cc1occc(=O)c1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 40287673 SCDZNNWWPDGILK-UHFFFAOYSA-N 362.813 2.329 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCCC1=O 44947079 KKXOTTNCYBWMQG-ZDUSSCGKSA-N 352.456 2.243 0 40 FEAB CCS(=O)(=O)C1CCN(C(=O)NCc2ccc3ncccc3c2)CC1 194597229 FYCWEDVCHUEOSB-UHFFFAOYSA-N 361.467 2.344 0 40 FEAB O=C(O)c1cn([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)s3)C2)nn1 577274686 HAEZDELWGDVGNP-LBPRGKRZSA-N 374.401 2.009 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccs1)C2 96237725 XEHIHGWUOBGFOX-LJQANCHMSA-N 355.463 2.311 0 40 FEAB CCOCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@H]2C 96109685 VJTDQBSOICGBSG-ZDUSSCGKSA-N 357.410 2.408 0 40 FEAB COc1ccccc1OCCN1C[C@H](C(=O)Nc2nccs2)CC1=O 96224035 CCKYMYLWMPVWFU-GFCCVEGCSA-N 361.423 2.018 0 40 FEAB O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC(n2cnnc2O)CC1 581472113 FUKDBPZRMALFCT-ZDUSSCGKSA-N 351.357 2.337 0 40 FEAB Cc1nnc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccccc4)C3)C2)o1 96240592 LFMSMGHBGWJXEK-MJGOQNOKSA-N 358.442 2.098 0 40 FEAB Cn1cc(C(=O)N2Cc3cccn3[C@H](CCOc3ccccn3)C2)cn1 248092533 CNOBVNXJEMQWAI-QGZVFWFLSA-N 351.410 2.283 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CCO3)C2)on1 247853153 BIZUUZJTEVODIY-INIZCTEOSA-N 357.410 2.277 0 40 FEAB CN(C(=O)c1cncc(Cc2cccc(F)c2)c1)[C@H]1CCS(=O)(=O)C1 257274624 NLXOTGVGUWOELB-KRWDZBQOSA-N 362.426 2.071 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1CC1CCOCC1 253590316 AFQRKOHGZPJDLF-CQSZACIVSA-N 358.442 2.209 0 40 FEAB CCn1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C1CC1 639472341 LUMVHZFUCUXKKB-UHFFFAOYSA-N 354.458 2.180 0 40 FEAB O=C([C@@H]1OCC[C@@H]1Cn1ccnc1)N1CCC(Cc2nccs2)CC1 640887579 HVSFDNQCELKAJM-NVXWUHKLSA-N 360.483 2.226 0 40 FEAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@]2(c3ccccc3)CC2(C)C)O1 664584014 ZXXIXXUWUDOFTR-GQIGUUNPSA-N 359.470 2.247 0 40 FEAB CCCN1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 32826712 UYKHMFIRFKILMF-IBGZPJMESA-N 371.525 2.458 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 5706819 RGPFRWHTVUVNAT-VNQPRFMTSA-N 362.426 2.403 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1 11355841 DPPOGISNQMRTQQ-UHFFFAOYSA-N 368.499 2.406 0 40 FEAB CC(C)N1C[C@H](C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12220193 SYEQQJMVKJKVFA-NVXWUHKLSA-N 372.465 2.433 0 40 FEAB Cc1ncncc1C(=O)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19552972 RXRPNMFGYCHSDM-LBPRGKRZSA-N 357.395 2.110 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19558979 DUIWWYOWAKPNJG-GFCCVEGCSA-N 372.856 2.414 0 40 FEAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 8091594 XTTWWINWXFHPLP-MHWRWJLKSA-N 369.352 2.366 0 40 FEAB CCn1cc(CN2C(=O)/C(=C/c3ccc(COC(C)=O)o3)N=C2S)cn1 2741183 TXGYZKSQVIJKMX-UUASQNMZSA-N 374.422 2.228 0 40 FEAB COc1ccccc1-c1nnc(C2CCN(S(C)(=O)=O)CC2)s1 35597012 BAEBMBPDQPIMPZ-UHFFFAOYSA-N 353.469 2.353 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)co1 2037839875 CUEXSADFXDCXBZ-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB CCn1nccc1C(=O)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223951 ITMGQPXJZLTXSM-IBGZPJMESA-N 354.458 2.216 0 40 FEAB CC(C)n1c(SCc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 1067272 OUXYWCSJZAKCTR-UHFFFAOYSA-N 362.430 2.446 0 40 FEAB biogenic COc1cc(C(=O)Nc2cnn(CCCC(=O)O)c2)cc(OC)c1OC 1430640 HAXGKAJJYLILSL-UHFFFAOYSA-N 363.370 2.026 0 40 FEAB C[C@@H]1CN(C(=O)N2CCCC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055729722 BYXMAGBBFGMJCU-WRWLIDTKSA-N 372.469 2.496 0 40 FEAB O=C(CCc1ccc[nH]1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 2055835236 XDFUILHRYRJFNA-BEFAXECRSA-N 359.401 2.320 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2ccco2)CC1 23127469 AVCCLRHDCXETLJ-UHFFFAOYSA-N 373.428 2.063 0 40 FEAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2cc(C(F)(F)F)ncn2)C1 2086861072 DEJBBIKXDZARNN-CQSZACIVSA-N 355.295 2.448 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cc1 19553043 NIQFKKZAKVMHNP-OAHLLOKOSA-N 365.437 2.028 0 40 FEAB Cn1cc(-c2nc(C(=O)NCCc3ccc4c(c3)OCCO4)cs2)cn1 40143328 XBSLMGJVSITNGF-UHFFFAOYSA-N 370.434 2.287 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c1 30898555 VDFNTRSYUNTKMT-UHFFFAOYSA-N 367.449 2.359 0 40 FEAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)NC1Cc2ccccc2C1 32123885 TYZPZHVGAIQEFY-SFHVURJKSA-N 363.417 2.450 0 40 FEAB biogenic COC(=O)COC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 21359885 INYADPZHWVOAOA-UHFFFAOYSA-N 367.357 2.329 0 40 FEAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32795545 JYCNGHONQKPGBG-VIFPVBQESA-N 368.256 2.021 0 40 FEAB Cc1noc(N)c1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 32778474 HYGNTWFGQDFZQW-UHFFFAOYSA-N 359.169 2.371 0 40 FEAB Cc1ccccc1CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccco1 18377504 RTQBUDNSTSKAHB-INIZCTEOSA-N 370.405 2.052 0 40 FEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC(C)(C)C 667574 OQLZEHJDQAPIIT-UHFFFAOYSA-N 356.488 2.223 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc3c(c2)OCCO3)c1 4292116 TYBVMWVYXFLJHV-UHFFFAOYSA-N 371.345 2.283 0 40 FEAB COCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 12194633 HIPXKZAUYCGSNV-UHFFFAOYSA-N 360.863 2.036 0 40 FEAB Cc1ccc(NC(=O)CN(C)CCN2C(=O)c3ccccc3C2=O)cc1 7490778 WPJVRCIRIMMQQF-UHFFFAOYSA-N 351.406 2.162 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 23432908 VJOIGAHXNHENFI-AEFFLSMTSA-N 364.511 2.431 0 40 FEAB Cc1nn(C)c2ncc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cc12 24199125 DBCHHPNVKOBPPO-MRXNPFEDSA-N 352.394 2.263 0 40 FEAB CC(C)[C@H](OC(=O)c1ccccn1)C(=O)N1CC(=O)Nc2ccccc21 42903727 VNGNULKZHDZJFJ-KRWDZBQOSA-N 353.378 2.248 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)o1 24746459 OIRSQMMBSKBRBS-UHFFFAOYSA-N 366.483 2.476 0 40 FEAB O=C(NCc1ccncc1)c1sccc1S(=O)(=O)N1CCCCC1 24955108 VGGNDIRKZIUHKA-UHFFFAOYSA-N 365.480 2.248 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9512517 QIXLOBSYAGYSSQ-IHRRRGAJSA-N 370.405 2.060 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 25539348 NKMPLQILIZNDMC-GFCCVEGCSA-N 363.373 2.471 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1 12548466 IUVMJZQXVSGSRD-UHFFFAOYSA-N 364.456 2.107 0 40 FEAB Cc1nc2ccc(N[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2s1 12517072 PNKIIPXCEVLTNA-GWCFXTLKSA-N 367.496 2.051 0 40 FEAB Cc1cc(C(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)[nH]n1 112678499 ZIECJPALRUYOPN-LBPRGKRZSA-N 372.454 2.349 0 40 FEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(c2nccs2)CC1 58406696 LERMGSBVJIRLSO-UHFFFAOYSA-N 354.435 2.337 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cc1 11027111 NWSOKOPQCUDMJQ-UHFFFAOYSA-N 358.369 2.037 0 40 FEAB CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3nc(C)cc(C)n3)CC2=O)cc1 11099411 ZBWLGJWIWHBYFC-CQSZACIVSA-N 367.409 2.043 0 40 FEAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 8848752 NGCGZRPLVNYVOH-UHFFFAOYSA-N 361.471 2.336 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)c2ccccc21 45595191 VCBMYAQKTFXGJY-AWEZNQCLSA-N 374.418 2.133 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)COCc1ccccc1F 48252640 JIIJGKPFQMGCCU-HNNXBMFYSA-N 364.417 2.348 0 40 FEAB CCCn1nc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)ccc1=O 3341651 ISKDBKNMBJPGRN-UHFFFAOYSA-N 367.764 2.241 0 40 FEAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 48310016 SUGKURLIGMITRB-HZPDHXFCSA-N 370.497 2.389 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1 48363786 MLZNPRILQZCSMQ-AWEZNQCLSA-N 354.410 2.412 0 40 FEAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccccc1Cl 12813987 YNAHTLQPOPJLHH-UHFFFAOYSA-N 367.858 2.050 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2 3459776 IBVXFCNDTMNVBV-NSHDSACASA-N 371.345 2.371 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 12935822 HLPWLINRRWMYGI-ZENOOKHLSA-N 365.311 2.186 0 40 FEAB C/C(NN1CCCCCC1)=C1/C(=O)N=C(O)N(Cc2ccccc2)C1=O 5092347 PORULJCZPVZSTN-JQIJEIRASA-N 356.426 2.124 0 40 FEAB O=C(Cn1cnc2cc3c(cc21)OCCO3)NCCc1ccc(F)cc1 64814323 VWYLDFWZTDCBKC-UHFFFAOYSA-N 355.369 2.306 0 40 FEAB Cn1cc(CN2CCC[C@H](CN3CCOCC3)C2)c(-c2ccncc2)n1 93018061 UESMOOOMVFUQAZ-QGZVFWFLSA-N 355.486 2.026 0 40 FEAB COc1cn(C)c(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1=O 71281758 CJERWYJPDUCNRK-UHFFFAOYSA-N 356.407 2.089 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1N 409106378 NAZRDWSHRQGLCZ-OKILXGFUSA-N 359.499 2.464 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCC(C)CC2)cc1 14094734 UMTTVEJDGMDYFS-UHFFFAOYSA-N 368.499 2.262 0 40 FEAB C[C@H](O)c1ccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 65501343 UTJNFAWWDKQKFR-AWEZNQCLSA-N 373.453 2.001 0 40 FEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 65565439 KYJQQZVZCYNIHJ-PEWKINPCSA-N 350.802 2.194 0 40 FEAB O=C(OCc1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 84539364 NWXOLHHCKCTZCE-WMZOPIPTSA-N 357.381 2.073 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccn3)CC2)c1C 6800454 SHJSZCQXWZTAJL-UHFFFAOYSA-N 356.426 2.166 0 40 FEAB COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cc1 6909064 LEOPPMHUMJRAHV-UHFFFAOYSA-N 362.389 2.147 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 9315233 GUVNRHQBSWKVEV-FQEVSTJZSA-N 369.396 2.251 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 9336489 KDHBEUZWZQEGED-UHFFFAOYSA-N 371.846 2.376 0 40 FEAB CCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252473 SSRGLPPCGCWOJB-UHFFFAOYSA-N 358.460 2.020 0 40 FEAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)OCC(N)=O 8324023 HBMAGWBMJQFYGL-UHFFFAOYSA-N 351.362 2.190 0 40 FEAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3ccccc3OC)n2)cc1 8613735 ZDBKBBPRHYREMQ-UHFFFAOYSA-N 366.421 2.261 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1n[nH]c(=O)n1C1CC1 9501938 OSJBDJQIOZEHFB-UHFFFAOYSA-N 370.837 2.450 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 8708719 TXJKYBZSXQXVIK-LLVKDONJSA-N 359.304 2.244 0 40 FEAB COc1ccccc1[C@H](NC(=O)Nc1c[nH]c(=O)c(C)c1)c1nccn1C 95975672 MIYCAKHCPLETLS-INIZCTEOSA-N 367.409 2.337 0 40 FEAB O=C(Cn1cnc(C2CCC2)cc1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 89701522 QCSKFCDYKSMQGR-GOSISDBHSA-N 371.412 2.250 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1C 408609829 SDVQCLDZYCLVIR-CYBMUJFWSA-N 354.472 2.119 0 40 FEAB NC(=O)C1CCN(c2nc3ccccc3c3nc(-c4ccncc4)nn23)CC1 6805458 UUZCZLHEDZSSSY-UHFFFAOYSA-N 373.420 2.041 0 40 FEAB Cc1nnc([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)s1 42380377 VRDBIWWVAKFRSK-LBPRGKRZSA-N 358.423 2.161 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 408661406 VSFRDUSEFFKLFP-CQSZACIVSA-N 374.437 2.358 0 40 FEAB CCOC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 409110796 YTZSLDLBOPMJSL-UHFFFAOYSA-N 363.435 2.449 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCC1(c2ccccc2)CCOCC1 38591891 MMFALGHERPDJKD-UHFFFAOYSA-N 366.417 2.459 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)c1cnccn1 306143424 YCBBDXBRHOBAQH-AWEZNQCLSA-N 368.466 2.112 0 40 FEAB CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 39985545 FAVWFYBUUJPUQR-UHFFFAOYSA-N 364.442 2.461 0 40 FEAB CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 72362201 FBBRBBQCAIBZMM-AWEZNQCLSA-N 354.410 2.484 0 40 FEAB Cc1ccn(-c2ccccc2CNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)n1 556574746 ZNNYIQNORXHSFR-UKBAYJJMSA-N 350.422 2.276 0 40 FEAB O=C1CC[C@@](C(=O)N2CCC([C@@H]3CCCO3)CC2)(c2ccccc2)CN1 553223853 CWMKWJSTIUDGAS-RXVVDRJESA-N 356.466 2.252 0 40 FEAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N4CCSCC4)C3)nc2)n1 77200431 DSOBAHJLLAICFO-HNNXBMFYSA-N 373.482 2.232 0 40 FEAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)CC2 225789435 VGTYAMRBSAOUHB-CYBMUJFWSA-N 351.328 2.086 0 40 FEAB CCOc1cc(NC2CCN(C(=O)c3cnc4n3CCCC4)CC2)ncn1 565690874 GTUKWXNLGFSCJE-UHFFFAOYSA-N 370.457 2.125 0 40 FEAB COc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225946363 XXWPOEQSQBCWKS-INIZCTEOSA-N 366.414 2.453 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225661435 NAPJQEQRKDBKKI-CWRNSKLLSA-N 356.422 2.214 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 226860021 ICCYSXMKDAPTIG-UHFFFAOYSA-N 370.308 2.390 0 40 FEAB O=C(CCC(=O)N1CCC(O)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 574954902 PQDNSHRLKSHCPF-IUODEOHRSA-N 368.836 2.215 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042775 APRDHQJYWHWDRA-RCCFBDPRSA-N 357.479 2.439 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 245333718 ABCMHGZYYZULNK-WSMBLCCSSA-N 366.483 2.155 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)ncc2C1 247918796 GMYYOBGPTURMBG-OGWHTMIXSA-N 368.481 2.481 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccsc3)CC2)C1 247906498 XCWVRHFXQFXZTF-INIZCTEOSA-N 352.500 2.195 0 40 FEAB CC(=O)N1CCC(N2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)CC1 257226984 FNBXPMLZRXLIRG-PZJWPPBQSA-N 355.482 2.136 0 40 FEAB C[C@@]1(NC(=O)c2ccnc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1 257245705 IQRKGADEIHKYKY-GOSISDBHSA-N 362.426 2.119 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)n1 257333267 YAWWSNIRAALEKR-OAHLLOKOSA-N 354.414 2.002 0 40 FEAB O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257289426 PYNUVWNAWSXUGG-APWZRJJASA-N 357.385 2.458 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)COc1cccc(F)c1 257312780 UPLULDWVBFSAIB-INIZCTEOSA-N 359.401 2.163 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(c2ccncn2)C1 257222842 DUWFKHNSAIGWOT-NSHDSACASA-N 354.439 2.177 0 40 FEAB Cn1cc(O[C@@H]2CN(Cc3ccc(Cl)c4cccnc34)C[C@H]2O)cn1 625626732 XYKHFWFDDNDAJM-IAGOWNOFSA-N 358.829 2.246 0 40 FEAB CC(C)(C)C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cnc2O)CC1 635241128 NWTOLUFKLYQLDI-UHFFFAOYSA-N 359.348 2.137 0 40 FEAB CN(CCO[C@@H]1CC1(F)F)S(=O)(=O)c1ccccc1Br 663975203 OEBDLQVRANLABL-LLVKDONJSA-N 370.215 2.494 0 40 FEAB O=C(N[C@H]1CNCC[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 659355993 XWKRJKHBJDIQNV-IRXDYDNUSA-N 356.397 2.472 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@H](O)C2)C3)cc1 585103585 HNEUMEMGYIVLCC-RBUKOAKNSA-N 358.482 2.073 0 40 FEAB CCOc1cccc(C(=O)N2Cc3cccn3C[C@H](CC(=O)NC)C2)c1 585099161 QVADDZUQOUACOM-HNNXBMFYSA-N 355.438 2.295 0 40 FEAB CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2F)C3)C1 585112502 QJOABMKZTGOOEJ-AWEZNQCLSA-N 359.401 2.233 0 40 FEAB O=S(=O)(NC[C@@H]1CCCN1)c1ccc(Br)cc1Cl 53254460 DEHIPIHGHCWVOH-VIFPVBQESA-N 353.669 2.133 0 40 FEAB O=C(NCC(=O)N(Cc1cccc(Br)c1)C1CC1)NC1CC1 58227581 FQBPUPQMXYTQGI-UHFFFAOYSA-N 366.259 2.402 0 40 FEAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 12222016 OECQDHMKXWXLDV-CQSZACIVSA-N 354.410 2.240 0 40 FEAB CC[C@H](C(=O)NCCCOC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714090 UJHKDQYPANURBE-CQSZACIVSA-N 362.879 2.037 0 40 FEAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C1=O 18177184 CLTZTJKBOIWMHI-BZSNNMDCSA-N 370.380 2.319 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1 19553117 TWKWEFNXCUPERC-HNNXBMFYSA-N 364.409 2.049 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C2=O 4514977 CXEMGVDKIGPLAP-CWTRNNRKSA-N 358.394 2.141 0 40 FEAB COc1cc(COC[C@@H](O)CN2CCCC[C@@H]2C)cc(OC)c1OC 5867094 NSGAMEJUVFZLSE-HOCLYGCPSA-N 353.459 2.464 0 40 FEAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4c(nn3)CCC4)sc2c1 1888910624 GLSUAODVEPXXLD-UHFFFAOYSA-N 374.447 2.231 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Oc2ccncc2)CC1 244970226 HONGYFUOWKNKSL-UHFFFAOYSA-N 374.462 2.315 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 10104762 PGXBFRVEGGEPDY-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB CCN(C(=O)Cc1n[nH]c(N)n1)C1(C(=O)Nc2ccccc2)CCCCC1 13572745 OSTHUNPNPQHSPJ-UHFFFAOYSA-N 370.457 2.120 0 40 FEAB COc1cccc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)c1 2055772870 OQFQEPBSZIJUNA-OAQYLSRUSA-N 360.498 2.399 0 40 FEAB COCCn1ncc2c1COC[C@@H]2CNC(=O)CCc1ccccc1F 2055756558 XPICZMBZDARDDA-HNNXBMFYSA-N 361.417 2.031 0 40 FEAB C[C@@H](C(=O)NCc1cccnc1)n1nc(-c2ccc(F)cc2)ccc1=O 44391953 WQVGROOVYBAWFK-ZDUSSCGKSA-N 352.369 2.322 0 40 FEAB COC(=O)c1ccc(C(=O)NCCCc2cnc3cc(C)nn3c2)cc1 206820309 KZGJNQVXQKBQAS-UHFFFAOYSA-N 352.394 2.187 0 40 FEAB O=C([C@H]1C[C@@H](NC2CCCC2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCCC1 2332241810 MBWQCDTXCKPHHS-QFHJOOASSA-N 372.513 2.275 0 40 FEAB Cc1nc2ccccc2nc1CS(=O)(=O)CCC(=O)N1CCCCC1 40106244 IGZXDSSKOWIVKO-UHFFFAOYSA-N 361.467 2.256 0 40 FEAB C[C@H](OC(=O)c1ccc(N)cc1Cl)C(=O)Nc1sccc1C(N)=O 40158636 ANVRNYDBCHIBDB-ZETCQYMHSA-N 367.814 2.267 0 40 FEAB CNc1snc(C)c1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 21042131 GLCYGLGHQIXBIC-LLVKDONJSA-N 351.453 2.142 0 40 FEAB Cn1c(=O)n(C)c2cc(CNc3ccc(N4CCOCC4)cc3)ccc21 32616922 WKFGDYCKKIIQME-UHFFFAOYSA-N 352.438 2.326 0 40 FEAB COc1cc(NC(=O)COc2ccccc2)ccc1NS(C)(=O)=O 32818586 VAIHZHRGIJFCJA-UHFFFAOYSA-N 350.396 2.084 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCOc1cccc2c1OC(C)(C)C2 52642845 OZCLSSUEOZWKNB-ZDUSSCGKSA-N 372.421 2.307 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 32995979 GLABUFCWWYLHDQ-UHFFFAOYSA-N 367.361 2.132 0 40 FEAB CC(C)N(Cc1ccccn1)Cc1nnc2n(C)c(=O)c3sccc3n12 52832903 YNJZEICOWABCCG-UHFFFAOYSA-N 368.466 2.448 0 40 FEAB CSCCCNC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 77542616 MFPHRARLOLAVMU-MRXNPFEDSA-N 355.479 2.251 0 40 FEAB CN1CC(=O)N[C@@H]2C=CN(Cc3c(Cl)cccc3Cl)C=C2C1=O 1608147 GZJOFOSOZXLQFY-CQSZACIVSA-N 352.221 2.163 0 40 FEAB Cc1nn(CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br 2781567 QKQNVKKBCCQESJ-UHFFFAOYSA-N 357.296 2.379 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4166307 PAMGBPNCTKIXMJ-IYYQDKMGSA-N 368.433 2.131 0 40 FEAB O=C(NC1CCN(C(=O)NCCc2ccccc2)CC1)c1ccncc1 53734078 PXWXJCAASZQRFO-UHFFFAOYSA-N 352.438 2.228 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1C 7423755 VKTGKCYVAQJPJI-UHFFFAOYSA-N 368.480 2.321 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccccc3)ccc21 803047 ZQZUYCOCZVCTIC-UHFFFAOYSA-N 359.403 2.048 0 40 FEAB CCCc1cc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)sc1C 104382566 LQALKINLTBUCIA-UHFFFAOYSA-N 373.478 2.296 0 40 FEAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 9479912 NAJOLVDQYXLZKQ-FZMZJTMJSA-N 362.455 2.256 0 40 FEAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)sc2n1 106166914 HKSNZDREMIOSBZ-UONOGXRCSA-N 360.483 2.210 0 40 FEAB CN1CCN(CCCN(C)C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 72308466 LKMXHFAHFIXCAW-SFHVURJKSA-N 373.463 2.482 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 27394565 AEDOQHFMNIVDPW-INIZCTEOSA-N 366.483 2.160 0 40 FEAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)CCC1=O 27417249 NAXLMOPNSVRTDK-UHFFFAOYSA-N 373.361 2.192 0 40 FEAB CN(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)S(C)(=O)=O 58162185 KGCGUKRCTHDYMI-UHFFFAOYSA-N 360.479 2.294 0 40 FEAB COc1ccc(CCN2CCN(C(=O)NCc3cc(C)on3)CC2)cc1 58305632 BTYMJLNVVATZSZ-UHFFFAOYSA-N 358.442 2.062 0 40 FEAB Cc1ccc(N2N=C(C(=O)NC3(c4ccccc4)CCC3)NCC2=O)cc1 58426368 QSDHEAKXORFMAF-UHFFFAOYSA-N 362.433 2.440 0 40 FEAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2O)C1 58430893 OBISJYFOLZHNIE-CQSZACIVSA-N 354.472 2.060 0 40 FEAB Cc1cccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 10833714 BWWZVXRYAOVORX-INIZCTEOSA-N 362.451 2.216 0 40 FEAB CN(C)CCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314532 HZHLKYCVNABFSX-UHFFFAOYSA-N 361.467 2.169 0 40 FEAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 45403709 VOKLEZZTQTXESZ-UKRRQHHQSA-N 369.425 2.235 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3368688 MKUAEQNHMGDVEE-UHFFFAOYSA-N 351.362 2.037 0 40 FEAB COc1ccc(CCNC(=O)Cc2noc(C(F)(F)F)n2)cc1OC 2543609 ORCQMPRYDXBXAM-UHFFFAOYSA-N 359.304 2.007 0 40 FEAB CCOc1cc2c(cc1CNC(=O)CCNC(=O)c1ccco1)O[C@@H](C)C2 12799596 XZPPNNFKXDXEIQ-ZDUSSCGKSA-N 372.421 2.438 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)NC[C@@H]3CCCO3)n2n1 8704152 ADIMAVYYPXWFSS-YPMHNXCESA-N 371.466 2.362 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1Cc2ccccc2O1 48355254 RDNLYSPAKRCZLX-KRWDZBQOSA-N 361.401 2.030 0 40 FEAB CCOC(=O)C(NC(=O)/C=C/c1ccc(C)c(Cl)c1)C(=O)OCC 12908143 DAFFPVPXHCVDJF-CMDGGOBGSA-N 353.802 2.273 0 40 FEAB O=C(O)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13092215 DTDVTHIQJRFDHD-KRWDZBQOSA-N 352.390 2.050 0 40 FEAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCc4nc[nH]c4C3)ccc12 13550672 PEWLYKPNOHGYRK-UHFFFAOYSA-N 353.378 2.097 0 40 FEAB biogenic CC(C)CC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCCO1)n2C 13729368 PYULEIMBENRMFJ-INIZCTEOSA-N 358.442 2.353 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cnc2ccccc2n1 14093726 WPVWGDBFDQROQS-UHFFFAOYSA-N 368.418 2.323 0 40 FEAB O=C(CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12)NC1CCCC1 65502102 QXWAGJPVZRZWPI-UHFFFAOYSA-N 357.439 2.156 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc21 14373363 RWOTZNXAUCUJRC-QGZVFWFLSA-N 356.447 2.426 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(C)ccc3O)cnc21 6936695 SHTVUQHYAKEPCJ-UHFFFAOYSA-N 353.378 2.130 0 40 FEAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 7770127 ZGBZXFAQXBZFLB-UHFFFAOYSA-N 369.396 2.416 0 40 FEAB CC(C)(C)c1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1 7871486 VWJFEQSUUPRODM-UHFFFAOYSA-N 370.453 2.089 0 40 FEAB CC[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(C)cc1 69288579 KPMFXVGRNSPNAR-INIZCTEOSA-N 350.484 2.154 0 40 FEAB COc1ccc(-c2ccc(CCC(=O)OCC(=O)N3CCOCC3)o2)cc1 17736618 JQYMEYLUMYDGDO-UHFFFAOYSA-N 373.405 2.290 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CN1CCN(Cc2ccccn2)CC1 22011780 HOUMAHQQHRFZPW-LJQANCHMSA-N 366.509 2.337 0 40 FEAB Cc1cc(C)n(C(=O)c2c(C)n[nH]c2S(=O)(=O)Nc2ccccc2)n1 98212025 UEVXVPOWYTVDAP-UHFFFAOYSA-N 359.411 2.021 0 40 FEAB Cc1nn(C)c(C)c1CN1C[C@]2(F)CN(Cc3ccccc3)C(=O)[C@]2(F)C1 306126502 DXXKRVSGBKKPRR-VQTJNVASSA-N 374.435 2.312 0 40 FEAB COc1ccccc1CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 25424796 KODOHDKIOCJSBS-UHFFFAOYSA-N 367.405 2.077 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1C 408592265 JRSYDFUNYGPQQC-UHFFFAOYSA-N 352.843 2.487 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1F 67068610 FJJRKKFRDJJKSS-UHFFFAOYSA-N 371.412 2.474 0 40 FEAB CC(=O)N1CCC(c2nnc3n2C[C@H](C(=O)NC2CCCCC2)CC3)CC1 306129546 IGRFFYIRFVRIGD-MRXNPFEDSA-N 373.501 2.015 0 40 FEAB O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 32092865 IJTSCEUCVXBTMG-INIZCTEOSA-N 373.434 2.248 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCN3C=O)cn2)CC1 72216389 JLZMNXXCEBOVFX-INIZCTEOSA-N 360.458 2.432 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217660001 JVVQFXFSFPVNFU-QWHCGFSZSA-N 370.471 2.443 0 40 FEAB COc1ccc([C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C(=O)O)cc1F 565364360 QDXHAOZJULPGJD-HWPZZCPQSA-N 361.373 2.169 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2C(=O)O)c1 47202359 VQZNAABYLVWOLQ-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOC[C@@H](C2CCC2)C1 564091687 BYNBLBTXIXMZTB-KDOFPFPSSA-N 360.454 2.138 0 40 FEAB O=C(c1cccc(Oc2ccccn2)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225702697 PDDHHKNUQXEULZ-CQSZACIVSA-N 367.361 2.067 0 40 FEAB O=C(c1ccncc1)N1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254118 OLPAQPSFCYPANK-UHFFFAOYSA-N 364.453 2.245 0 40 FEAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3ccccc3)C2)cc1 257200889 AFGOYPQJOXAZOC-NRFANRHFSA-N 354.450 2.404 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)cn1 257245481 IPRSXYZGIDLXCS-CYBMUJFWSA-N 352.398 2.176 0 40 FEAB O=C1C[C@H](c2ccccc2Cl)c2c(O)nc(N3CCOCC3)nc2N1 585655806 RDYIDNVXYJKRKO-LLVKDONJSA-N 360.801 2.146 0 40 FEAB COc1ccccc1C(=O)NCc1cncc([C@@H]2CCCN2C(C)=O)n1 257264891 LWKKFQTZMSBRHZ-KRWDZBQOSA-N 354.410 2.099 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](c2ccnc(O)n2)C1 257315109 UZYGJYZUVDNDEZ-ZDUSSCGKSA-N 351.410 2.397 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1OC 257328630 XGMKEPZWOHJUNT-APWZRJJASA-N 360.454 2.290 0 40 FEAB CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257236993 HETLLZCJGIDMBT-IJEWVQPXSA-N 355.442 2.322 0 40 FEAB CCc1cc(C(=O)N2CCC3(CC(N(C)c4cc(C)ncn4)C3)C2)on1 257302720 SDZPZPZOXGJJCS-UHFFFAOYSA-N 355.442 2.467 0 40 FEAB CN(C)C(=O)c1cnc(N2CCN(c3ccc(O)cc3)CC2)c(Cl)c1 614477518 VTIUVNHLNSHCBY-UHFFFAOYSA-N 360.845 2.469 0 40 FEAB CC(C)(C(=O)O)n1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)n1 659199939 IIFMLXNQVYFCKQ-UHFFFAOYSA-N 356.382 2.082 0 40 FEAB CS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 671426744 WMVFELCEWNHLKV-IAQYHMDHSA-N 354.378 2.076 0 40 FEAB CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cnc[nH]2)Cc2ccccc21 594811573 ZZZCZQREKBQHBB-CQSZACIVSA-N 363.439 2.040 0 40 FEAB CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CC1CC1 612740198 ZPSVIVWYDSZPRT-INIZCTEOSA-N 361.490 2.079 0 40 FEAB O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccnc(CO)c1 1631252554 OTKGBKAAIRPJEY-GFCCVEGCSA-N 368.355 2.174 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390830623 MGTIJIHUWHAOOH-CYBMUJFWSA-N 360.391 2.067 0 40 FEAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@]2(c3ccccc3)CC2(C)C)O1 664584015 ZXXIXXUWUDOFTR-GUXCAODWSA-N 359.470 2.247 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](O)C2)C3)cc1 585105160 ZTMWIZONVWKJIH-WOJBJXKFSA-N 372.509 2.463 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1 11963902 SCSZBRLWNTXVGC-UHFFFAOYSA-N 360.483 2.285 0 40 FEAB O=C(Cn1nc(-c2cccc3ncccc23)oc1=O)N1CCCCCC1 12117141 KLKGCNRNYWKLCP-UHFFFAOYSA-N 352.394 2.454 0 40 FEAB CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(C)cc3)no2)N(C)C1 12529766 ACZYMSWWWBHVTQ-GJZGRUSLSA-N 364.471 2.120 0 40 FEAB biogenic,in-vitro COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCCCCC1 13581514 IXAYOWVPOHYONM-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 15013972 GBIJOWBKNCTYBN-FUHWJXTLSA-N 373.497 2.427 0 40 FEAB Cc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)n1 19236123 AACRGMCAKMVKMM-QFBILLFUSA-N 351.454 2.278 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 19346692 AZTANRLGMSMLPT-OAHLLOKOSA-N 367.428 2.088 0 40 FEAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(C)=O)CCO2)cc1 19694902 WMAGPMDMJQAGFB-KRWDZBQOSA-N 356.426 2.138 0 40 FEAB O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1C[C@H](O)C[C@H]1CO 644048229 XRHXYHYMAYQYGQ-JKSUJKDBSA-N 371.824 2.247 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1 657198114 CAWKDFXEHPBOKG-BLLLJJGKSA-N 353.419 2.005 0 40 FEAB CCc1cnc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nc1 1888843307 DFBZGPOFEQPKTB-UHFFFAOYSA-N 352.364 2.483 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@@H]2C=CCC2)c(=O)[nH]c1=O 14633426 BXBKUHHLINAROQ-CQSZACIVSA-N 362.474 2.264 0 40 FEAB Cc1cc(OCC(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Cl 17836787 MYHOYFKIPIGBQR-BETUJISGSA-N 355.818 2.206 0 40 FEAB Cc1ccccc1NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 23136959 OXYVFQKJZYHAON-CYBMUJFWSA-N 359.451 2.292 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2cccs2)C1 2055747597 LMRCFZDYOKFFIF-GOSISDBHSA-N 361.442 2.259 0 40 FEAB Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 23127856 XFPSDDWWGUOBHX-IBGZPJMESA-N 368.433 2.090 0 40 FEAB CCOc1ccc(CC(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 75155449 SHKPXNRKOMYHLA-HXUWFJFHSA-N 357.406 2.380 0 40 FEAB Cc1csc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 40024150 ANCXUFPWYGJCFP-UHFFFAOYSA-N 365.480 2.094 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(C)c(F)c2)CC1 40088360 NTXJOQHSSMATGV-UHFFFAOYSA-N 371.478 2.138 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 40120185 UKQDUVLUORZIJI-UHFFFAOYSA-N 365.282 2.030 0 40 FEAB Fc1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1 20405833 FFPUJSCTFUHBFS-UHFFFAOYSA-N 362.474 2.441 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1OC 100902586 RXHKYOVSQVPXPI-WBVHZDCISA-N 370.336 2.135 0 40 FEAB COC(=O)[C@H](CCSC)NC(=O)N1CCO[C@@H](c2ccccc2)C1 32105038 WBEGDNOHYBVROF-LSDHHAIUSA-N 352.456 2.064 0 40 FEAB COc1cc2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c2cc1OC 20716726 ZPTOYZWJFQYCLG-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB COC(=O)c1ccccc1N[C@H]1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O 102396794 LPSAVQCPAWVQAB-KRWDZBQOSA-N 366.373 2.420 0 40 FEAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCOCC3)cc2)cc1 21822375 RKLJDQWIXBTSOJ-UHFFFAOYSA-N 369.421 2.218 0 40 FEAB O=C1CS[C@H](c2ccc(F)cc2)N1NS(=O)(=O)c1ccc(F)cc1 1084161 QOADQBBGEJQLKB-OAHLLOKOSA-N 370.402 2.432 0 40 FEAB OCCN(CCO)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc12 1589851 KLZVGZMQXSTUEZ-NRFANRHFSA-N 352.434 2.222 0 40 FEAB Cc1cc(N)nc(SCC(=O)NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 103417145 XOJDWBCLVJLPMZ-MROQNXINSA-N 363.487 2.110 0 40 FEAB CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC(=O)c1ccccc1 4027756 PVMUOTUDLIZEAN-RUCLQGLUSA-N 364.394 2.240 0 40 FEAB biogenic COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 676466 ZETRQADVANYVQF-UHFFFAOYSA-N 368.455 2.189 0 40 FEAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 4304844 NDOFQJQBWJEBTE-UHFFFAOYSA-N 357.435 2.493 0 40 FEAB O=C(NCc1nnc2ccccn12)c1ccccc1OC[C@@H]1CCCO1 22459411 QMHIXOYWZYULLD-AWEZNQCLSA-N 352.394 2.217 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 6728941 PCGSQPHRCUVHRW-UHFFFAOYSA-N 360.435 2.083 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(OCCC)c2)n1 6778870 ROPSTXXBLJYUKS-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB O=C1C[C@@H](N(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C2CC2)C(=O)N1 104111138 OZPFIJZSJDLNBF-QGZVFWFLSA-N 351.406 2.066 0 40 FEAB CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)CN3CCN(C)CC3)ccc21 22918342 ZVGUUEHOWDSMDE-QGZVFWFLSA-N 373.497 2.159 0 40 FEAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(-c3ccccc3N)cc2n(C)c1=O 12324216 QLNZYKUUHMRBCI-UHFFFAOYSA-N 364.380 2.416 0 40 FEAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O 8922391 VPJAMHDKWCAAEI-UHFFFAOYSA-N 365.459 2.245 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 23717338 QNCCSPKBTBKLEB-KDURUIRLSA-N 364.449 2.272 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 102593578 KSEOEMAANVXKNP-QBXQWZBTSA-N 350.418 2.295 0 40 FEAB Cn1c(CN2CCC[C@@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O 57378653 CAXXJQXREUNNEZ-CQSZACIVSA-N 356.451 2.031 0 40 FEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccn1 24680171 QWPWYTXZBRBLAE-OLZOCXBDSA-N 353.378 2.041 0 40 FEAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1nc2ccccc2c(=O)[nH]1 24808892 VOBHEPXCRQNPDJ-NSHDSACASA-N 371.828 2.431 0 40 FEAB COc1cc(/C=C2/N=C(C)OC2=O)cc(I)c1O 59484391 MHRZJGZCXQYTMA-RUDMXATFSA-N 359.119 2.322 0 40 FEAB Cn1ccnc1CN1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 107243517 PFRRPCMROYPUSO-OXJNMPFZSA-N 374.460 2.279 0 40 FEAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)N1CCCC1 58197522 WVJAZDFLBKXNID-AWEZNQCLSA-N 358.410 2.130 0 40 FEAB O=C(OCC(=O)N1CCCCC1)c1ccc(I)cc1 3249608 ICIJVWLBTJZWOR-UHFFFAOYSA-N 373.190 2.461 0 40 FEAB O=C(CCNc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1 58244809 SFQWHDIRFYRIPW-GOSISDBHSA-N 353.470 2.307 0 40 FEAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 100119839 HWDUBZMWNHPPPV-VHFSOBRXSA-N 365.437 2.393 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 58402807 GZMHJFIBYAVFID-CQSZACIVSA-N 360.454 2.301 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 28687762 IFHOWKFOGHQLOU-OAHLLOKOSA-N 351.450 2.265 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1C 100394871 AHOXZZUUWXAPPA-AUTURXRWSA-N 350.418 2.359 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 28962315 MXLMQAGEEGRYLI-QGZVFWFLSA-N 359.401 2.304 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 12782768 NZHYPOIKFFMAFD-CQSZACIVSA-N 372.446 2.272 0 40 FEAB NC(=O)Nc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 12763182 DTZFCSHZNBAEKU-UHFFFAOYSA-N 352.394 2.456 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(Br)cc1 3361740 LAYBQUPYLOUCJI-UHFFFAOYSA-N 374.194 2.091 0 40 FEAB CCC(=O)Nc1ccc(C(=O)COc2cccc(-n3cnnn3)c2)cc1 3407307 OAOTVOUAEYKQEN-UHFFFAOYSA-N 351.366 2.273 0 40 FEAB CC(C)(C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3529348 XNKJUIQFJAAMHO-UHFFFAOYSA-N 371.437 2.194 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1COc2ccccc2O1 12982709 UQTWVUGGRWXLCW-OAHLLOKOSA-N 365.389 2.451 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Cn2cncn2)cc1 12973542 YYSMILJFTDGTHI-UHFFFAOYSA-N 370.434 2.291 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OC[C@@H]2CCCO2)C(C)C)c1 13048098 UPVIQZPNCQAERB-YOEHRIQHSA-N 365.426 2.180 0 40 FEAB COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)C(F)(F)F)C2 39293888 CDPHRJILIQIKLS-PPHDSNJXSA-N 369.339 2.309 0 40 FEAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCc2[nH]ncc2C1 95441202 URJSTNPXBPRONW-ZWKOTPCHSA-N 352.482 2.195 0 40 FEAB CC1CCN([C@@H](C)CNC(=O)NCc2cccnc2-n2ccnc2)CC1 65480239 OHBMTIPZVWUKQH-INIZCTEOSA-N 356.474 2.187 0 40 FEAB C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)N1CCCC1 65532860 BVZPJIMZRFJXEE-OAHLLOKOSA-N 372.465 2.397 0 40 FEAB Cc1cc(C)c(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(=O)[nH]1 14317718 CWHBZCGCFCQZQA-OAHLLOKOSA-N 353.422 2.199 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1=O 6650832 PZQFVAMVPRKNFS-FQEVSTJZSA-N 365.389 2.283 0 40 FEAB COc1ncccc1C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002516 RTVKDJQLSHTUKY-AWEZNQCLSA-N 367.384 2.233 0 40 FEAB CCCCC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(=O)NC)cc1 66950952 JFLPQQXIZFFHBU-AWEZNQCLSA-N 368.499 2.046 0 40 FEAB CC1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O 7320934 FEINTLGIUYJVFA-HNNXBMFYSA-N 357.435 2.284 0 40 FEAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 9515905 OPNDOLGPCBESKF-NSHDSACASA-N 351.255 2.235 0 40 FEAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 9503561 BBRBWTDNKLOENF-CYBMUJFWSA-N 353.378 2.154 0 40 FEAB CN1CCO[C@@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 95458721 CVKBYVSGXUSAHG-INIZCTEOSA-N 363.458 2.023 0 40 FEAB Cc1ccccc1-n1nnnc1SCN1C(=O)c2ccccc2C1=O 9722045 PPWTYXMUCZMDHH-UHFFFAOYSA-N 351.391 2.317 0 40 FEAB CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccccc1C(N)=O 88562589 QYPVVLXYOGSLQY-MRXNPFEDSA-N 366.465 2.455 0 40 FEAB O=C(c1ccncc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999064 VEIDOKDIZGWZLB-QGZVFWFLSA-N 371.462 2.079 0 40 FEAB CS[C@H](CO)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 89598370 MWIUZYNPNAJXDB-BDJLRTHQSA-N 363.483 2.287 0 40 FEAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCc2nnc(C)n2C1)c1ccsc1 89967770 LLSLCJLTBKDMOH-HOCLYGCPSA-N 361.515 2.410 0 40 FEAB CN(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 25065206 DJCSGCTXPMFIJI-UHFFFAOYSA-N 364.492 2.216 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 306137397 QVGNWNQHLQSTCT-HZPDHXFCSA-N 363.421 2.428 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)no2)cc1 27580950 PYNMBROJKOULFM-UHFFFAOYSA-N 371.418 2.227 0 40 FEAB O=c1nc2n(Cc3cccc(F)c3)cccc-2c(=O)n1Cc1ccncc1 32641534 BMROTVXTEYNMFI-UHFFFAOYSA-N 362.364 2.141 0 40 FEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)COc1ccc2c(c1)CCC(=O)N2 525530472 MUHOPPNDOMEFPI-KYNGSXCRSA-N 358.438 2.270 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 70639776 YNFTUBZBYIQHRY-QGZVFWFLSA-N 350.777 2.442 0 40 FEAB O=Cc1ccc(OCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 24175461 LINFBYYJTHTQAJ-UHFFFAOYSA-N 366.373 2.058 0 40 FEAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 32995909 IYANEWKZCWUNRN-SFHVURJKSA-N 366.377 2.439 0 40 FEAB Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 31557030 SQFPVVIDXYWLAI-UHFFFAOYSA-N 363.462 2.042 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C(C)(C)C)cc1 71980021 XILJOFWCOYKOJK-INIZCTEOSA-N 360.454 2.332 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223298896 AUWDQCCNCCCRIX-UHFFFAOYSA-N 370.456 2.250 0 40 FEAB CC[C@@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccccc1C 224966174 JSRYIFFURDYIIX-GFCCVEGCSA-N 354.457 2.235 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1 47461954 VXAGFGGLRSPHNF-UHFFFAOYSA-N 355.456 2.276 0 40 FEAB Nc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2ccccc2)CC1 225440027 KGWMFSNGIHHGHO-UHFFFAOYSA-N 350.466 2.483 0 40 FEAB O=C(C[C@H]1C=CCC1)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044452 QRWJZXJPDWDFMX-YJBOKZPZSA-N 359.470 2.396 0 40 FEAB Cc1nc(CN2CCN(c3ncc(F)c(-c4ccsc4)n3)CC2)n[nH]1 580541091 VOSWXXNBNUBCGJ-UHFFFAOYSA-N 359.434 2.093 0 40 FEAB CCc1cnc(N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)nc1 96038450 RRBLOBGECWDQKS-UHFFFAOYSA-N 351.454 2.453 0 40 FEAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1cccc3[nH]ccc13)C2 248012058 PPJPXUVREKCWRK-MRXNPFEDSA-N 357.454 2.006 0 40 FEAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Cc4[nH]ncc4C)C3)cc2n1 257312493 UOEXLNNRJCVCHU-HNNXBMFYSA-N 352.442 2.473 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257296705 REAMULLVOIYWNM-AWEZNQCLSA-N 367.446 2.390 0 40 FEAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)c1 257241860 HZXXRCSQPKHFQW-KRWDZBQOSA-N 353.426 2.313 0 40 FEAB CCn1cc(O[C@@H]2CN(Cc3cc4cc(OC)ccc4o3)C[C@H]2O)cn1 628375772 ZIEFJNFZGOQMAR-IEBWSBKVSA-N 357.410 2.282 0 40 FEAB NC(=O)c1cccc2c1CCCN2C(=O)C[C@H](n1cccn1)C(F)(F)F 666679653 ZSSCOSNHQGPQKL-AWEZNQCLSA-N 366.343 2.455 0 40 FEAB CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ncnc4c3CCCC4)CC2)O1 1775958029 YKRPKVPXVSOXMK-ZWKOTPCHSA-N 358.486 2.208 0 40 FEAB Cc1cnc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cn1 585104975 MYDOTNHALZZGKB-HNNXBMFYSA-N 356.451 2.097 0 40 FEAB O=C(c1ccnc(F)c1)N1CCN2C[C@@H](OCc3ccccc3F)C[C@H]2C1 585108029 XADBGBAILZOIQG-IRXDYDNUSA-N 373.403 2.475 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccco3)[C@@H]3OCC[C@@H]32)cc1 585109270 FUCWRMZCHPTPMD-BJLQDIEVSA-N 368.433 2.063 0 40 FEAB Cc1c(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)cnn1C 585098007 QIJACRORNBPHGG-AWEZNQCLSA-N 358.490 2.084 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1 5190452 BJHIMEHPIJRLSS-UHFFFAOYSA-N 365.382 2.415 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1)n1nc(-c2cccs2)cc(N)c1=O 12181258 NTTNABBXFIHZLC-ZDUSSCGKSA-N 368.462 2.474 0 40 FEAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)[C@@H]1CCCO1 12222436 FCVOYGWKGRMAFX-SFHVURJKSA-N 367.453 2.276 0 40 FEAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1 12525812 KGWGMULYZUOONU-UHFFFAOYSA-N 366.464 2.014 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2cccs2)CC1 14184725 DUSJFTLCOZFEBX-UHFFFAOYSA-N 363.464 2.417 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2ccccc2C)c1=O 17964143 PMCKTOWSVKFMGE-HNNXBMFYSA-N 365.433 2.369 0 40 FEAB Cc1cc2nc(CNC(=O)c3c(-c4cccnc4)noc3C)cc(O)n2n1 19130102 GYFGMNRWTYKTOQ-UHFFFAOYSA-N 364.365 2.032 0 40 FEAB COc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)ccc1OC(F)F 19286430 NANRUDGMPVSYJV-UHFFFAOYSA-N 365.380 2.289 0 40 FEAB CCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc4c(cc3OC)OCO4)C2)n1 19522497 LAUMQAVWFKYUDC-ZDUSSCGKSA-N 371.437 2.449 0 40 FEAB CCCc1cc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)no1 19525370 PZQAECUXVMEWFZ-UHFFFAOYSA-N 369.469 2.425 0 40 FEAB Cc1c(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cnn1C 19553980 QSOHPUIRSKWXKZ-QGZVFWFLSA-N 365.455 2.175 0 40 FEAB COc1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1O 19559745 DHUQQCJNYZVFDJ-UHFFFAOYSA-N 364.405 2.104 0 40 FEAB Cc1[nH]c2nc(CC(=O)N[C@H](C)CCCc3ccccc3)nn2c(=O)c1C 19576970 KFLXMCMCBRKZSN-CYBMUJFWSA-N 367.453 2.105 0 40 FEAB Cc1nnc2ccc(NCC(=O)NCC(C)(C)c3ccccc3F)nn12 19719224 LMVWMSATTXQPHA-UHFFFAOYSA-N 356.405 2.078 0 40 FEAB CCOC(=O)CCC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225730044 DSZLLZWTXNMZII-GFCCVEGCSA-N 360.332 2.423 0 40 FEAB COc1cccc(C2(O)CCN(CCNC(=O)[C@@H]3CC=CCC3)CC2)c1 12326304 CQHCFDMSKMBPFM-QGZVFWFLSA-N 358.482 2.451 0 40 FEAB C[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2N1c1nccc(C(F)(F)F)n1 1888842574 NYYGMAKKCNVIOZ-UTUOFQBUSA-N 350.348 2.389 0 40 FEAB CC(C)n1c(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3C2)nc2ccccc21 1888881693 CQCIJNJQBKVCNM-GJZGRUSLSA-N 374.510 2.477 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)[nH]1 1888906584 ZBCKDDMVIKMLGO-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COCCN1CC[C@@]2(CCCN(C(=O)Cc3ccc(C)cc3)CC2)C1=O 1565542199 AFQLXVIJKRWJSF-NRFANRHFSA-N 358.482 2.415 0 40 FEAB COC(=O)c1ccc2oc(=O)c(S(=O)(=O)c3ccc(OC)cc3)cc2c1 4316236 DLHABOGGCFWJIV-UHFFFAOYSA-N 374.370 2.421 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CC(C)C)C1 2055747281 UDRSMVSYEYZFKP-LJQANCHMSA-N 365.449 2.017 0 40 FEAB O=C(c1cnc(Cl)cc1Cl)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772901 SXGGTVVQJOWFHY-PWSUYJOCSA-N 354.237 2.329 0 40 FEAB COCCn1ncc2c1COC[C@@H]2CNC(=O)c1cccc(OC(C)C)c1 2055759272 FPQKKTDVDDGRGF-INIZCTEOSA-N 373.453 2.361 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 575620762 VLGAROAJZDBHFY-QGZVFWFLSA-N 372.450 2.361 0 40 FEAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)C(=O)Nc1ccon1 207972185 QKHGTDPGBXQKHB-HNNXBMFYSA-N 357.391 2.073 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192146 DEAKORBLSOAIQN-ZDUSSCGKSA-N 366.343 2.115 0 40 FEAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(-n2cnnn2)c1 40017393 KUNCKIGAFJHCGY-UHFFFAOYSA-N 357.757 2.339 0 40 FEAB CCOc1ncccc1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 20031263 MVGSSGAEUVBVCE-UHFFFAOYSA-N 366.381 2.348 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCc3ccc(F)cc3)C2=O)cc1 18195411 DEMMFMMFDZDBPS-QGZVFWFLSA-N 355.369 2.206 0 40 FEAB Cc1cccc(NC(=O)NC(=O)COC(=O)c2cccnc2N(C)C)c1C 46452699 DYBVMCUUBKEDTR-UHFFFAOYSA-N 370.409 2.270 0 40 FEAB COC[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 70667767 SOAZJUXGLGZFAG-CQSZACIVSA-N 362.451 2.276 0 40 FEAB C[C@@H](NC(=O)NC(=O)COC(=O)c1cccc(O)c1)[C@H]1C[C@H]2CC[C@H]1C2 103322461 GVFXYIGOTIRYLN-LMOYCYGVSA-N 360.410 2.200 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)no1 7231551 ONMMOLIUEOURBX-DZGCQCFKSA-N 371.393 2.074 0 40 FEAB Cc1cnn(-c2ccc(C(=O)NCCNC(=O)c3ccc(O)cc3)cc2)c1 53742749 SZSGUBQMKBGEMQ-UHFFFAOYSA-N 364.405 2.046 0 40 FEAB CCOc1cc(CNc2nnnn2CC)cc(Br)c1OC 8339874 XADHPVNXEYOBCQ-UHFFFAOYSA-N 356.224 2.475 0 40 FEAB CCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476185 LOAOHBLUHONKBT-UHFFFAOYSA-N 362.451 2.314 0 40 FEAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 8749310 QICCCZYHQRQVKD-UHFFFAOYSA-N 360.357 2.166 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1OC 10008840 MDPYORSCXQZAHQ-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1 42723388 LWNHWDHQQSMLPU-HXUWFJFHSA-N 369.509 2.022 0 40 FEAB O=C(N[C@@H]1C(=O)NN[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1133445 VRFUCLCZLADMLG-KGLIPLIRSA-N 350.205 2.468 0 40 FEAB COc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2N)cc1Cl 9420717 XQOIQWPJNVYIDW-UHFFFAOYSA-N 371.828 2.484 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCCn1c(C)csc1=O 25183213 JXSLLPDUEOHBGR-UHFFFAOYSA-N 360.435 2.374 0 40 FEAB CNC(=O)NC(=O)CCSc1nnc(Cc2cccs2)n1C1CC1 44117115 VZTFXDMMRLTWOP-UHFFFAOYSA-N 365.484 2.203 0 40 FEAB COc1cc(C(=O)NCC(=O)OCc2ccc(C)cc2)cc(OC)c1OC 1790930 JQSVYZPKIHZCDQ-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB Cc1cc(C)cc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1 35681877 ZEXIOOPZELWVQW-UHFFFAOYSA-N 352.442 2.176 0 40 FEAB O=C(CCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC1CCCCC1 101341323 WLUWRBHLQVSTEA-HOTGVXAUSA-N 371.481 2.023 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)CC1 10076674 XANGNIWDYKPQTP-UHFFFAOYSA-N 372.469 2.045 0 40 FEAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(OC)c(OC)cc1C 58171683 FYGZJVSAXNZMBD-CYBMUJFWSA-N 371.455 2.119 0 40 FEAB C[C@H](CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)CN1CCCC1=O 58138211 IZGHXSKAEUBRKJ-OCCSQVGLSA-N 350.846 2.266 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 48249802 NQBJSUGEVZMFFH-UHFFFAOYSA-N 358.398 2.430 0 40 FEAB Cc1ccc([C@@H](CNC(=O)CCS(=O)(=O)C2CCCC2)N(C)C)cc1 58245180 GRONZNSXRYAUNN-GOSISDBHSA-N 366.527 2.461 0 40 FEAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2152235 NGTMPSSETFGIGO-NWDGAFQWSA-N 361.394 2.492 0 40 FEAB biogenic CC(C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2106791 OHZODBRXBHRMFB-SFHVURJKSA-N 373.405 2.276 0 40 FEAB biogenic CC(=O)NCCc1ccc(C(=O)CSc2nnnn2C(C)(C)C)s1 58392207 COVLUAZMUZEIAW-UHFFFAOYSA-N 367.500 2.143 0 40 FEAB CCOC(=O)c1nc(CN2CCN(C(=O)c3cccs3)CC2)cs1 58343622 HTGNIOPJHPYRGQ-UHFFFAOYSA-N 365.480 2.339 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)OCc1nnnn1-c1ccccc1 10551107 RKPVBLLKEXHVAO-UHFFFAOYSA-N 359.773 2.264 0 40 FEAB C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccn(C)c2)CC1 12766196 GAPXMWOHVURIPT-CQSZACIVSA-N 351.447 2.232 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2sc(-c3cccnc3)nc2C)CC1 22237548 TUOOHGLTDCNHMT-UHFFFAOYSA-N 360.439 2.428 0 40 FEAB C[C@H](OC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)NC1CCCC1 12774865 WZKYKBPLVBFGCW-RDJZCZTQSA-N 372.465 2.068 0 40 FEAB COc1cccc(OC)c1C(=O)OCC(=O)N1CCc2ccccc2C1 3397547 GLUFFQXDVMWOTR-UHFFFAOYSA-N 355.390 2.446 0 40 FEAB CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1 29688164 MOMBGPZZGFMIRU-UHFFFAOYSA-N 353.422 2.056 0 40 FEAB CN(C(=O)/C=C/c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 12944442 QPROWTUXSIESAG-GFUIURDCSA-N 358.257 2.108 0 40 FEAB CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 13009479 GCFFBAXOWIPSMZ-AWEZNQCLSA-N 374.470 2.467 0 40 FEAB O=C(O)c1ccc(CCNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 13443627 DWISJYDCNCXVLS-UHFFFAOYSA-N 366.417 2.480 0 40 FEAB O=C(NCc1ccc(OC(F)F)cc1)c1cnc2sccn2c1=O 8881812 SPECLZPCCSRUOG-UHFFFAOYSA-N 351.334 2.287 0 40 FEAB COC(=O)[C@H](C)NC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC 5205067 GLJMHBJXTAKNGR-JTQLQIEISA-N 361.354 2.224 0 40 FEAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(C(N)=O)cc3)cnc12 8940502 MQUHOGOKTOZHSU-UHFFFAOYSA-N 364.405 2.223 0 40 FEAB Cc1cccc(OCCCOn2nnc3ccc(S(C)(=O)=O)cc32)c1 8937132 VEJSYWRJRFKLJG-UHFFFAOYSA-N 361.423 2.041 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](c1ccco1)N1CCCC1 6909593 XPGJPMXOIOPFEO-KRWDZBQOSA-N 366.421 2.012 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccccc2)cc1 4995453 LHFCJRJULLOJAR-UHFFFAOYSA-N 362.451 2.415 0 40 FEAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccc(C)c3)CC2)C1 306135716 OYKOKXHWRPREJX-UHFFFAOYSA-N 369.469 2.468 0 40 FEAB O=C(O)c1c[nH]c(=S)n(-c2ccc(I)cc2)c1=O 20156289 VZGXMDCETXGTRM-UHFFFAOYSA-N 374.159 2.198 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)nc12 7472666 QCEZYZKXDMVYAU-KRWDZBQOSA-N 358.423 2.264 0 40 FEAB Cc1ccnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)c1 9468992 JBPHNBVNQYUNKM-LLVKDONJSA-N 353.831 2.349 0 40 FEAB C[S@](=O)C[C@@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 72298101 FPKNAZOPURDENK-VOIUYBSRSA-N 350.484 2.015 0 40 FEAB Cn1c(O)nc2cc(C(=O)N3CCC([C@@](C)(O)C(F)(F)F)CC3)ccc21 545248769 RAECJUWKFKEHND-MRXNPFEDSA-N 371.359 2.444 0 40 FEAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1cc(Cl)ccc1Cl 20635182 LEGIZPRHPGEKRY-NXEZZACHSA-N 363.222 2.007 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCC2)cc1Cl 408553180 OSYVJXUUPINLSQ-NSHDSACASA-N 374.890 2.464 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](COc4ncccc4F)CCN3C)C2)on1 306136644 PZDFPXJJZZZYIW-CQSZACIVSA-N 374.416 2.133 0 40 FEAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)N1CCOCC1 1565525045 YRWXMYIJRCGSLG-UHFFFAOYSA-N 360.479 2.157 0 40 FEAB Cc1cc(CNS(=O)(=O)c2ccc3ccccc3c2)nc(N(C)C)n1 188284842 RSFRRZJZYQCHFR-UHFFFAOYSA-N 356.451 2.483 0 40 FEAB CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 41085511 RALHVIXMANGQEJ-UHFFFAOYSA-N 372.472 2.327 0 40 FEAB Cc1ccc(CN(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 225812218 KQGMSHPPUUFNNQ-UHFFFAOYSA-N 372.490 2.342 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC(C)C 225804323 LVPNWDCMSJRNOW-UHFFFAOYSA-N 368.499 2.327 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc2c(c1)OCCO2 223753338 SEBVATNORAXVJT-UHFFFAOYSA-N 353.371 2.084 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96048937 AEQJTLLVDDUPFS-UHFFFAOYSA-N 355.438 2.490 0 40 FEAB Cc1ccc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@H]3C2)o1 96041055 IDLKIKVIUFSPAM-SNRMKQJTSA-N 355.438 2.279 0 40 FEAB Fc1cnc(N2CCO[C@H]3CN(Cc4ccc(Cl)c(F)c4)C[C@H]32)nc1 96248857 XANRUAOXMYCYBV-CVEARBPZSA-N 366.799 2.498 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccncc2)cs1 248006211 DOYUOKZSWKCRMH-HNNXBMFYSA-N 359.451 2.294 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)cc3)C2)c1F 253472477 MPIKYGFODIAILC-OAHLLOKOSA-N 372.400 2.430 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCCC2(O)CCCC2)[C@@H]1c1ccccc1OC 257270181 MTBYMZXOWWVUNR-APWZRJJASA-N 374.481 2.416 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)CC1 257307520 SZBLOSCEKWJJPF-BFYDXBDKSA-N 358.486 2.034 0 40 FEAB CCc1cnc(N2CCO[C@@H]3CN(Cc4ccccn4)CC[C@H]3C2)nc1 253606432 LUCNAXNQQKGOJP-PKOBYXMFSA-N 353.470 2.161 0 40 FEAB O=C(NCC[C@H]1COc2ccccc2O1)N[C@@H]1CCO[C@H]1c1ccncc1 623776356 FCRMHSBHBRPPRT-FCEWJHQRSA-N 369.421 2.441 0 40 FEAB O=C(O)C[C@H]1CCCN(S(=O)(=O)c2cscc2Br)C1 630414743 FJEWANXATZREKV-MRVPVSSYSA-N 368.274 2.386 0 40 FEAB Cc1cc([C@@H](NS(=O)(=O)c2cn(C(C)C)cn2)C(=O)O)ccc1F 646047840 QJLIHANLRJZAQD-CQSZACIVSA-N 355.391 2.016 0 40 FEAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)N[C@H]1CCc2c[nH]nc2C1 664414769 UVHBKJGHCMRQFR-SFHVURJKSA-N 362.437 2.327 0 40 FEAB Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)C2)n(C)n1 683495511 PMHXQJVUSFIDHV-AWEZNQCLSA-N 368.441 2.419 0 40 FEAB O=C(Cc1c[nH]c2ccc(F)cc12)NCc1nnnn1-c1ccccc1 604230812 WGPMNNOGWZIBLI-UHFFFAOYSA-N 350.357 2.142 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)/C=C/c1ccccc1 24749573 HVHBKIXJIXUBAP-CSKARUKUSA-N 361.448 2.417 0 40 FEAB CCn1cc(CN(C(C)C)S(=O)(=O)c2ccccc2C(=O)O)cn1 650444863 MELCLPHTDLEDKC-UHFFFAOYSA-N 351.428 2.201 0 40 FEAB CCCn1c(=O)n(CC(=O)N[C@H](C)CN2CCCCC2)c2ccccc21 24803140 LQHHCSNBFDNPAL-MRXNPFEDSA-N 358.486 2.204 0 40 FEAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN1C(=O)/C=C/CN(C)C 585292265 KDLMFLPASYALOS-FSNWXROXSA-N 366.469 2.705 0 40 FEAB CC(=O)N1CC[C@H](NCCn2nc(C)nc2C)[C@H](Cc2ccc(F)cc2)C1 585285771 MMUHMWFVDGZHGB-QUCCMNQESA-N 373.476 2.103 0 40 FEAB Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cccc1C(=O)N1CCOCC1 67456151 RNYKOPCWQGRBBU-HOTGVXAUSA-N 372.421 2.073 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc2ccccc12 84598265 BLIHGTKTNSHVCK-MOPGFXCFSA-N 372.490 2.221 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCC[C@@H]3O)cc2)CC1 77152549 HOENHQLJHFJTEU-QUCCMNQESA-N 359.514 2.498 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)Nc3cncc(N(C)C)c3)cn2)C[C@H](C)O1 633863969 DZWKAHPQTTYFGO-KBPBESRZSA-N 355.442 2.409 0 40 FEAB CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3sc(C)cc3n12 12115388 QFDXOLZQWVIUQI-UHFFFAOYSA-N 370.434 2.491 0 40 FEAB O=C(COc1cccc(F)c1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 12365075 QYFVQDHMKLFZOO-GFCCVEGCSA-N 355.373 2.277 0 40 FEAB CC[C@@H](C(=O)NCCCOC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716070 ZAUAEDGAVNFJEZ-INIZCTEOSA-N 356.488 2.001 0 40 FEAB CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 19445989 SGHTVXWIEUDLII-MSOLQXFVSA-N 362.522 2.109 0 40 FEAB Cc1cc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cs1 19572086 PPFAJRGCNRSSRD-UHFFFAOYSA-N 353.451 2.198 0 40 FEAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1OCc1ccccn1 19575298 GWESWVVAKDTQOU-LSTHTHJFSA-N 353.466 2.300 0 40 FEAB Cc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc([C@@H]2CCCN2)n1 19698040 SNSNZQJJZLTENF-IBGZPJMESA-N 354.502 2.179 0 40 FEAB COc1ccc(-c2nc3ccccn3c2CN2CCNCC2)cc1OC 22465040 ZBUSOPRGUAUWRY-UHFFFAOYSA-N 352.438 2.424 0 40 FEAB Oc1nc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc(C2CC2)c1F 1888867124 UQSWNVYVNGQYOA-UHFFFAOYSA-N 356.405 2.193 0 40 FEAB CN1CCN(C(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)CC1 2037838712 XQKGWGVVVZKVTF-UHFFFAOYSA-N 361.858 2.499 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839690 ALBXEILQQLNRCP-HXUWFJFHSA-N 369.396 2.177 0 40 FEAB Cc1cc(N2CCO[C@H]3CN(C(=O)c4sc(C)nc4C)C[C@@H]32)ccn1 2056224923 GTZLLXDTJMOOTC-HOTGVXAUSA-N 358.467 2.193 0 40 FEAB CN(C1CCN(c2ccc(Br)cn2)CC1)S(=O)(=O)C1CC1 2086967248 LKXGXLDXIDZWTN-UHFFFAOYSA-N 374.304 2.237 0 40 FEAB Cc1ccc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)o1 1565546586 AHFZQEIMJFIOSK-UHFFFAOYSA-N 365.393 2.478 0 40 FEAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2OC)C1=O 2711078 BPNWIBPVOUBYOA-ZIAGYGMSSA-N 350.440 2.293 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O 4250582 YNLJDJKIROXDSQ-UHFFFAOYSA-N 351.410 2.084 0 40 FEAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NCc1ccco1 5187635 GCHGYDOKGRVQLT-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB Cc1cc(CN2C[C@@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)n[nH]1 2055746333 PPEMQMRLSNGQFN-KRWDZBQOSA-N 362.518 2.499 0 40 FEAB O=C(NCCn1ccnc1)Nc1ccccc1I 40095953 XDLUAYJXUQLDPB-UHFFFAOYSA-N 356.167 2.309 0 40 FEAB CC(C)OCc1ccccc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40071749 JCPKQHMQRXQALC-HUUCEWRRSA-N 356.488 2.055 0 40 FEAB CCC(CC)[C@H](CNC(=O)Cc1cn2ccsc2n1)N1CCOCC1 30941324 WXEUWJMFQZGXQS-INIZCTEOSA-N 364.515 2.192 0 40 FEAB O=c1c(Cl)c(NCCCO)cnn1CCOc1ccc(Cl)cc1 32837481 MRVXROJOZDCLAQ-UHFFFAOYSA-N 358.225 2.423 0 40 FEAB CN(CCOc1ccccc1F)CC(=O)NC(=O)NC1CCCCC1 8852622 UVTUBRVPWYDECJ-UHFFFAOYSA-N 351.422 2.295 0 40 FEAB COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 824215 IAJYUWOBVHGKND-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB CCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@](O)(c2ccncc2)C1 879390 ZFCLLQHLXOOEAZ-HXUWFJFHSA-N 369.421 2.485 0 40 FEAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 78965070 VNANEGUXEJBKOE-UHFFFAOYSA-N 365.342 2.412 0 40 FEAB COCCCn1c(SCCNCCO)nnc1-c1ccc(Cl)cc1 2639091 YGCBFVIDUZLMCD-UHFFFAOYSA-N 370.906 2.309 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@@H]3C(=O)O)c12 4063453 NAVWWJGPEUWRJI-CYBMUJFWSA-N 359.378 2.118 0 40 FEAB biogenic O=C1NCCCC[C@H]1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 47212266 VXOBCWJXVHMWDR-OAHLLOKOSA-N 358.438 2.055 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 54864937 ZRMZKIIEHDTKNJ-IFXJQAMLSA-N 354.406 2.269 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1 23075266 FGWPOFRHLLNIBI-UHFFFAOYSA-N 372.406 2.239 0 40 FEAB CCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCC1)S(C)(=O)=O 22251755 GGBMWYCHFBUJTL-UHFFFAOYSA-N 370.471 2.162 0 40 FEAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670235 PVRVWQGJNMJCTJ-WBVHZDCISA-N 374.464 2.265 0 40 FEAB O=C(CCNc1ncccn1)NCc1cc(F)ccc1Br 58191109 SRSWNCDZJBYYHD-UHFFFAOYSA-N 353.195 2.497 0 40 FEAB Cn1nnnc1SCCC(=O)NCCc1cccc(Cl)c1Cl 58208786 WRAKMKAMRBLPFZ-UHFFFAOYSA-N 360.270 2.358 0 40 FEAB CCc1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 58225490 DMJDRDMQKNLPMF-UHFFFAOYSA-N 374.462 2.125 0 40 FEAB Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 27779552 IATGYMAEOLGZGV-OAHLLOKOSA-N 357.458 2.312 0 40 FEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 2168267 ZPRHVPHDENDZTP-LSDHHAIUSA-N 362.426 2.198 0 40 FEAB biogenic Cc1cc2nnc(S(=O)(=O)CCO[C@@H]3CCCC[C@H]3C)n2c(C)n1 48285612 SUOFEYSUKAWCKQ-BXUZGUMPSA-N 352.460 2.110 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)Cc3ccccc3O)cc2n1 100138961 XHIJKGVBLYXVDE-HNNXBMFYSA-N 352.394 2.355 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 104209554 BOLBRZWHNIBFRJ-OMGOSVEPSA-N 373.412 2.226 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100482594 UGMVWRUROSQBMX-JFMONLCZSA-N 368.433 2.449 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(CC4CCCCC4)[C@@H]3C2)cc1 67897449 IHIZJKZZTCPIDI-MOPGFXCFSA-N 372.465 2.327 0 40 FEAB biogenic,in-vitro COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(F)cc(F)c1 48356123 SAXGJWFPSVLSBY-UHFFFAOYSA-N 370.377 2.410 0 40 FEAB CN1N=C(C(=O)NC2(c3ccc(Br)cc3)CC2)CCC1=O 64362253 OXBCETRFDPVVFQ-UHFFFAOYSA-N 350.216 2.163 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 49613412 FSUWWMIHSNAVGQ-OAHLLOKOSA-N 350.378 2.493 0 40 FEAB Cc1ccc(OCCN(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1 14198560 CZZIWSBOEQPMDW-UHFFFAOYSA-N 353.422 2.291 0 40 FEAB C[C@@H](CN(C)c1ccccc1)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 65925483 DEZXSKQTVVXWLS-ZDUSSCGKSA-N 353.422 2.149 0 40 FEAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CC2)cc1 408710008 LBPUGUIRMYPASX-UHFFFAOYSA-N 365.433 2.396 0 40 FEAB Cc1ccn([C@H](C(=O)c2cccc(Cl)c2)C(=O)N2CCOCC2)c(=O)c1 4682139 HEMOJCZGYRUXNX-QGZVFWFLSA-N 374.824 2.093 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)c1 6653438 PNHLTYFVPPTLPO-UHFFFAOYSA-N 364.405 2.251 0 40 FEAB CC(C)(C)c1nn2cnnc2n(NC(=O)Nc2cccc(Cl)c2)c1=O 6882829 RNTLPDZNTSJMKZ-UHFFFAOYSA-N 361.793 2.013 0 40 FEAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 4917326 HPTIFMDZYFQKHI-GZMMTYOYSA-N 350.234 2.227 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CCSc2nnc(N)s2)cc1 67317240 DSMGMWTYSJONAP-UHFFFAOYSA-N 352.441 2.418 0 40 FEAB CCCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)n[nH]c1=O 7729661 WSGNPLXKZOTYIH-LLVKDONJSA-N 350.444 2.492 0 40 FEAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1cccc(N2CCCC2=O)c1 9451241 JUNVBIPMWHCJPG-UHFFFAOYSA-N 354.406 2.315 0 40 FEAB CCNC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996416 FBFCEAVZAWOFMV-ZDUSSCGKSA-N 371.437 2.194 0 40 FEAB Cc1ccc(C(=O)NC(=S)N2CCN(C)CC2)cc1Br 19860651 YHNGNROSIYSLSH-UHFFFAOYSA-N 356.289 2.020 0 40 FEAB COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCCC1 8476150 QYFLLBZFCMLFAW-UHFFFAOYSA-N 366.483 2.496 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(C)n[nH]c2c1 91825101 FQJCLSWHWVNSPI-OAHLLOKOSA-N 350.444 2.014 0 40 FEAB Cc1cc(CN2CC3(C[C@H](COc4ccccn4)CCN3C)C2)n(C)n1 306143102 XTIDCQKURCYEIA-QGZVFWFLSA-N 355.486 2.099 0 40 FEAB Cc1cccc(OC[C@@H](O)CN(C(=O)NCCCn2ccnc2)C(C)C)c1 72305572 IERKNMVTWSZJPE-SFHVURJKSA-N 374.485 2.442 0 40 FEAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306141851 WIHLXUQADWDBJF-UHFFFAOYSA-N 368.485 2.040 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1 21633192 UUFAQQSKDUKIEU-UHFFFAOYSA-N 357.391 2.380 0 40 FEAB Cc1nc(C2(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)CCCCC2)no1 29058971 CBXHUJIKMIRGFS-OAHLLOKOSA-N 355.394 2.435 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)CC3CC3)C2)cn1 306134689 NVIYUQSQIQGJLJ-KRWDZBQOSA-N 370.501 2.209 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306144778 ZOJDJVMDLXPIKE-HUUCEWRRSA-N 371.510 2.316 0 40 FEAB O=C(c1cc([C@@H]2CCCN(CCc3ccccc3)C2)n[nH]1)N1CCOCC1 72380535 QAALKGZGDIUKQO-GOSISDBHSA-N 368.481 2.304 0 40 FEAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)cc1 526834996 RMEJOKJAXWRJNZ-AREMUKBSSA-N 374.418 2.019 0 40 FEAB Cc1c(C)c(NC(=O)/C=C/C(=O)O)c(C)c(C)c1NC(=O)/C=C\C(=O)O 31723544 QGURKEDVMAPLBA-CGXWXWIYSA-N 360.366 2.079 0 40 FEAB O=C(O)C[C@@H]1CCCN(C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 560914882 WCOJKCNRLZMQED-NSHDSACASA-N 362.361 2.272 0 40 FEAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)n1 225499619 WCTPVLLPWAUTJI-AWEZNQCLSA-N 365.393 2.112 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 48278357 FODOBFAOZUXPNC-JXFKEZNVSA-N 372.396 2.170 0 40 FEAB CC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC(C)C 96230377 RDCHIHFMTANMSO-UHFFFAOYSA-N 358.486 2.076 0 40 FEAB COC[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)CN1Cc1nccs1 96240346 QIVFZBMZJJEXBW-HZPDHXFCSA-N 351.516 2.235 0 40 FEAB CCN1CCn2c(C)cnc2C12CCN(S(=O)(=O)c1ccccc1)CC2 96263315 AFPFQXWZNGTLDF-UHFFFAOYSA-N 374.510 2.207 0 40 FEAB C[C@@]1(CNC(=O)c2cnc3[nH]c(O)nc3c2)CCCN1Cc1ccccc1 585084703 WCVSKCPRKLRPRB-FQEVSTJZSA-N 365.437 2.448 0 40 FEAB Cc1cccnc1N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 279764021 VWNKDHMOYGMIAR-UHFFFAOYSA-N 363.439 2.353 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)o1 1775957121 DPFWJABCEQRNFZ-XLWJZTARSA-N 351.447 2.250 0 40 FEAB O=C(c1ccncc1F)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414916 QBZYZVOOKLSFNU-INIZCTEOSA-N 366.389 2.362 0 40 FEAB CNC(=O)[C@]1(C)CCCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C1 585282785 HUQKISLVJVCQNW-HXUWFJFHSA-N 359.514 2.174 0 40 FEAB O=C(O)CCCCCCC/C=C\C/C=C\CC(=O)N[C@H](CO)C(=O)O 1549184259 NPDOYQQYKLFRBY-WFKKDYFZSA-N 355.431 2.256 0 40 FEAB COc1cc(C(C2C(=O)CCCC2=O)C2C(=O)CCCC2=O)ccc1O 5634295 BYQRKBHQICRPCX-UHFFFAOYSA-N 358.390 2.361 0 40 FEAB Cc1ccc(-c2c(C)sc3ncn(CC(=O)NC(N)=O)c(=O)c23)cc1C 11990622 SBTJZFXINVEFQW-UHFFFAOYSA-N 370.434 2.245 0 40 FEAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)C3CC3)C1)CN(C(C)=O)C2 12365447 ZPKSXLJCTFNCPB-FQEVSTJZSA-N 358.438 2.207 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)ccc2OC)cc1 19173815 NARFNEYXPKAHEL-UHFFFAOYSA-N 362.451 2.483 0 40 FEAB Cc1ccccc1CC(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19237118 LGWZSUNAFDWGCH-UHFFFAOYSA-N 366.465 2.185 0 40 FEAB CCc1n[nH]c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1C 19520923 STVGVVGKZXGHPQ-UHFFFAOYSA-N 368.485 2.078 0 40 FEAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ccnc2ncnn12 19569608 ZHZMVYMFLYSWJZ-OAHLLOKOSA-N 351.410 2.429 0 40 FEAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19577640 ZMIBZYFBZYLWTR-FZMZJTMJSA-N 358.417 2.406 0 40 FEAB CCOc1cc(CNC[C@H]2CN(C)CCO2)ccc1OCC(F)(F)F 105471075 LVACRRFXKQMCPJ-AWEZNQCLSA-N 362.392 2.447 0 40 FEAB COc1cc(NS(=O)(=O)c2ccccc2)cc2sc(NN)nc12 226314501 SQFBKCUBBNKJGG-UHFFFAOYSA-N 350.425 2.391 0 40 FEAB O=C(c1cccc(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450675 KDSFTAXCMUMECR-UHFFFAOYSA-N 368.455 2.470 0 40 FEAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)noc2C)c1 1889149360 OSZVJSQFXQZVTE-YIONKMFJSA-N 350.444 2.353 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(C)cn3)C2)cc1F 1848683481 PMVJGTBRFPWKMZ-UHFFFAOYSA-N 353.419 2.050 0 40 FEAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nnc2ccccn12 22422286 NVZYMAZPPRIACC-GWCFXTLKSA-N 353.357 2.172 0 40 FEAB O=C(C1CCOCC1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984744 MJLIEBJMCDOXIC-NRFANRHFSA-N 372.465 2.228 0 40 FEAB COc1cccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 4569063 PKOWBNQDZINEPW-MRXNPFEDSA-N 374.462 2.278 0 40 FEAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2ccco2)CC1 2055704328 LHPVDSQHEXDUHS-UHFFFAOYSA-N 356.348 2.146 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccco2)cc1Cl 206619476 CEBSJHLSYOKPPO-OAHLLOKOSA-N 359.831 2.214 0 40 FEAB COC(=O)c1cc(CNC(=O)Nn2cnc3ccccc32)ccc1OC 10404097 VLEOBBQJQBCRGI-UHFFFAOYSA-N 354.366 2.285 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2)C1 40092078 LPOUNHSKKRSVSD-CQSZACIVSA-N 358.891 2.408 0 40 FEAB COc1ccc(Cn2nccc2NC(=O)Cn2nnc3ccccc32)cc1 40090643 VFNVFHIDEJSYSS-UHFFFAOYSA-N 362.393 2.323 0 40 FEAB COc1ncccc1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 40121643 TVDWQQZJCJGBJV-UHFFFAOYSA-N 369.469 2.030 0 40 FEAB Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](C(N)=O)C2)c1C 50856962 WJZFXLVMYAASIA-SFHVURJKSA-N 353.422 2.373 0 40 FEAB C[C@@H](OCCCNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 32795525 DEAQTVWOTJEGHV-QGZVFWFLSA-N 369.469 2.476 0 40 FEAB O=C1Cc2cc(S(=O)(=O)Nc3cc4c(cc3Cl)OCO4)ccc2N1 32854956 KQOVVOKPKMCJOZ-UHFFFAOYSA-N 366.782 2.364 0 40 FEAB Cc1cc(OCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)no1 76023150 KHTIDQFRWFEMIR-OLZOCXBDSA-N 353.419 2.171 0 40 FEAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCC(C)C)cc12 4132852 GLGDXPLMWJWKSL-UHFFFAOYSA-N 361.511 2.470 0 40 FEAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)C1CC1 4858817 SCQZVYZJZAYEAE-CQSZACIVSA-N 359.455 2.194 0 40 FEAB Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)c1 6680595 BLEBBSDQXIAOFF-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccccc2OCC#N)C1=O 6948604 VSPDSHKPERSHPK-PTNGSMBKSA-N 373.434 2.494 0 40 FEAB Cc1nc2cc([C@H]3CCCN(C(=O)CCn4ccnc4)C3)nn2c(O)c1C 100137735 KETRCTKPIXLCIQ-HNNXBMFYSA-N 368.441 2.045 0 40 FEAB COC(=O)c1cc(Br)c(=O)n(Cc2ccc(C(=O)O)cc2)c1 1247497 DWLRRWJAGWDNHZ-UHFFFAOYSA-N 366.167 2.144 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2cccc(Cl)c2Cl)CC1 24777121 VVTURRGYKXPAPA-UHFFFAOYSA-N 351.255 2.101 0 40 FEAB CC1=NN(c2ccc(C(=O)NCCNC(=O)c3ccccc3O)cc2)CC1 55381874 GHHNTVDXHMSDJJ-UHFFFAOYSA-N 366.421 2.138 0 40 FEAB O=c1c(NCc2cccc(F)c2)c(N2CCN(c3ccccc3)CC2)c1=O 101693562 BCROYEKFSXIRAF-UHFFFAOYSA-N 365.408 2.360 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCC2)c1 22229596 BAEJGBKPEGHYGZ-MRXNPFEDSA-N 366.483 2.216 0 40 FEAB COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc21 3294064 SJHVNIGHRRNRHT-UHFFFAOYSA-N 364.471 2.399 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128787 PRDGNQMJFHRNEA-BRWVUGGUSA-N 360.502 2.026 0 40 FEAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCCCO)CC(=O)N21 2099463 JKSICWSQWCLAPG-KRWDZBQOSA-N 369.465 2.161 0 40 FEAB biogenic Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)C(=O)N(C)C)c12 48290744 PGAUMYPUSUEXTR-GFCCVEGCSA-N 352.394 2.405 0 40 FEAB CC(=O)N1CCN(C(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 10879821 LSJGFKYSFWUQHK-UHFFFAOYSA-N 372.494 2.272 0 40 FEAB CSc1nccn1-c1ccc(C(=O)NCCNc2ncccn2)cc1 48345788 JXZVQLZXMNXSBF-UHFFFAOYSA-N 354.439 2.226 0 40 FEAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(F)c1 12987005 RFIASNBBJLJYHF-UHFFFAOYSA-N 361.398 2.201 0 40 FEAB O=C1C[C@H](c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1 13127781 DXJSVHBWMQCQDD-CQSZACIVSA-N 369.406 2.011 0 40 FEAB CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O 5047485 DHYJNYNLZUGKQV-CQSZACIVSA-N 361.295 2.022 0 40 FEAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccccc2)CC1)c1cccs1 14052035 DVVPYPROVQUQGR-OAHLLOKOSA-N 358.467 2.196 0 40 FEAB CCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 6605777 GWBDNYOJIQTHJV-LBPRGKRZSA-N 356.378 2.403 0 40 FEAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6649564 BRJRCJJMIUZTJY-LLVKDONJSA-N 352.346 2.360 0 40 FEAB CCCn1c(SCC(=O)Nc2ccccc2OC(F)F)n[nH]c1=O 6888278 ADBRFIALMACDLD-UHFFFAOYSA-N 358.370 2.314 0 40 FEAB C[C@H]1CN(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@@H](C)O1 80326536 SRXWMUCLUSGRQP-PHIMTYICSA-N 351.428 2.471 0 40 FEAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1c(F)cccc1F 96222739 VTLKPRIZMZWMLM-INIZCTEOSA-N 373.359 2.112 0 40 FEAB biogenic Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)sc1C 91037929 NUVPSKOVIMUILX-CQSZACIVSA-N 368.480 2.427 0 40 FEAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ccccc2)CC1 8280913 AMGSDCUCQIVYGC-UHFFFAOYSA-N 362.433 2.205 0 40 FEAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8333817 GDRQIWQOBFHXJS-LURJTMIESA-N 374.348 2.054 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 9762287 SSWUOBNHLXAZAL-QGZVFWFLSA-N 361.419 2.472 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Br)cc1 97230316 DFKLMNPQPLXLDE-CABCVRRESA-N 355.276 2.425 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN(C)c2ccccc2)[nH]n1 97358763 PFZHNTAUDHGKPS-UHFFFAOYSA-N 352.442 2.293 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccncc2Cl)CC1 75593926 BYSAQSSDRMVZBC-UHFFFAOYSA-N 351.859 2.242 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)sc2C1 22131230 GKXMRFOKGOLYPO-JTQLQIEISA-N 364.471 2.317 0 40 FEAB COC1(CS(=O)(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)CCOCC1 1562012031 CMPMLUOWCOXEGL-INIZCTEOSA-N 366.483 2.134 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2cccnc2)N=C1O 36585707 ORIPGDZWSHVNSW-WMLDXEAASA-N 366.421 2.364 0 40 FEAB COC(=O)[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1cccs1 509154064 HQRMSMCIJQYMMS-HNNXBMFYSA-N 356.407 2.032 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCN1CCN(c2ccc(F)cc2)CC1 56997251 IQWRHCUOPCQKRL-UHFFFAOYSA-N 359.420 2.446 0 40 FEAB CN(C)CCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 56964162 BIRUITNWPJGDDI-ZDUSSCGKSA-N 362.257 2.317 0 40 FEAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccccn3)cs2)cn1C 72402638 JXIMUUSQJZVOMB-UHFFFAOYSA-N 356.407 2.230 0 40 FEAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(S(N)(=O)=O)cc1 46793046 IWKWWRLWPZGUHF-UHFFFAOYSA-N 373.434 2.243 0 40 FEAB CC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 222997973 URBDXRJHNYCEQW-UHFFFAOYSA-N 368.440 2.136 0 40 FEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H]1COCCN1CC(F)F 332913085 SVCLXQYWKQKKJZ-YOEHRIQHSA-N 368.424 2.197 0 40 FEAB CC(=O)N1CCc2ncn(C)c2[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 96147192 HUTDPTZBCAOMSM-SFHVURJKSA-N 356.426 2.292 0 40 FEAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3ccco3)C2)C1 96218790 GVYQGCKPJIRXMG-OXJNMPFZSA-N 355.438 2.285 0 40 FEAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)NCCOC)N=C1O 95471908 LLQSPYCCGRKQPL-NSHDSACASA-N 357.476 2.168 0 40 FEAB Cc1cccc2c(CC(=O)N3CCC[C@@H](n4cc(C(=O)O)nn4)C3)c[nH]c12 580314637 BHATWBZJQVXVGX-CQSZACIVSA-N 367.409 2.172 0 40 FEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc21 96111952 CXWOJZJNWKFWDV-ZFWWWQNUSA-N 359.451 2.158 0 40 FEAB biogenic,in-vitro COC(=O)CCNC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 95473136 ICRNBMHURREMDS-UHFFFAOYSA-N 350.374 2.284 0 40 FEAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1Cl 521218609 OWKIHIDWVFGWPN-QMMMGPOBSA-N 368.636 2.340 0 40 FEAB C[C@]1(O)CN(C(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1Oc1ccccc1 257205803 BAPTVUJXIMCIAV-HKUYNNGSSA-N 352.394 2.002 0 40 FEAB O=C(Nc1ccc(I)cc1)c1ccc2nn[nH]c2n1 544374611 XQUSLRWPIGVVEK-UHFFFAOYSA-N 365.134 2.210 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)cc1C 85559518 QCZIQFWGGYZZEK-QGZVFWFLSA-N 354.406 2.027 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccc(OC)cc1 257253747 KACGRVITBFMPTD-MJGOQNOKSA-N 370.453 2.077 0 40 FEAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cccc(OC(F)(F)F)c1 575608313 NCGKPJNPNFGVGW-UHFFFAOYSA-N 367.327 2.449 0 40 FEAB CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575405527 TUEHZGFJVPGXGB-MRXNPFEDSA-N 360.483 2.377 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@@H](CCNC(=O)N3CCCC3)C2)n1 585111739 ADVMGDQFMSSWEV-SFHVURJKSA-N 368.485 2.339 0 40 FEAB Cn1nccc1C(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585111756 APUGRUXUUIFNCB-HNNXBMFYSA-N 370.482 2.055 0 40 FEAB Cc1cc(N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)ncn1 585415111 CEMUHSUOGOEUOB-VXGBXAGGSA-N 350.348 2.166 0 40 FEAB COCCNC(=O)CNC(=O)c1csc(-c2ccc(Cl)s2)n1 72030034 YVMZFTMXLNNULA-UHFFFAOYSA-N 359.860 2.017 0 40 FEAB CCn1ccc2cc(NC(=O)Cc3c(C)nc4nc(N)nn4c3C)ccc21 51410108 JUOZKGVWKYYWJG-UHFFFAOYSA-N 363.425 2.479 0 40 FEAB Cc1cccc(C(=O)NCc2noc([C@@H]3CCC(=O)N3CC3CC3)n2)c1 1775963743 BEOJJCBOQJJBOH-HNNXBMFYSA-N 354.410 2.382 0 40 FEAB biogenic,in-vitro CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cc(Cl)c(C)cc1Cl 666422903 SIFLYICRWFIUJO-VXGBXAGGSA-N 367.254 2.235 0 40 FEAB COc1ccccc1OCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 5933272 VCYYJNOOFLDNTB-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cnc3ccc(OC)nc3c2O)C1 12222148 XNYYEQCPRLBHOF-NSHDSACASA-N 374.397 2.151 0 40 FEAB CN1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1nc(-c2ccccn2)no1 12529780 NPLWGPSHXILMNY-AAEUAGOBSA-N 355.423 2.368 0 40 FEAB biogenic,in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12752225 NAMRZHPZJUMMMM-LBPRGKRZSA-N 366.414 2.482 0 40 FEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)no1 12756699 VBMYFDOKNXEUSD-UHFFFAOYSA-N 368.393 2.126 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 13580514 HAIUMNCMTJNQOM-ZDUSSCGKSA-N 372.462 2.007 0 40 FEAB CSc1nc2nc(C)c(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)n2n1 14201804 SGQCAIJYNMCKCP-GHMZBOCLSA-N 363.487 2.031 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 16363225 QKRRVRGKBVOZDZ-JOYOIKCWSA-N 355.485 2.230 0 40 FEAB CCOc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 18022941 JEIFJHLQQZQRNN-UHFFFAOYSA-N 359.426 2.160 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 19173338 MOPBWSNXSDONPH-HNNXBMFYSA-N 360.479 2.404 0 40 FEAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(O)(Cn2ccnc2C)CC1 19287789 AUKDTOLHUCAYRB-HNNXBMFYSA-N 373.453 2.021 0 40 FEAB C[C@H](CN(C)C)NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 19455923 KKSGWDGWDRIQPD-CQSZACIVSA-N 374.510 2.327 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19578678 JPSIBQJELHGOAM-UHFFFAOYSA-N 365.437 2.212 0 40 FEAB Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 643585157 NAISGASTDBESOJ-NIKGAXFTSA-N 355.438 2.246 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@H](O)C1CCCCC1)C(=O)C2 151257394 YMIWYYLWZUKISH-RLFYNMQTSA-N 357.516 2.242 0 40 FEAB O=C1NCCN1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830889 OCEGWFOZYHLAID-UHFFFAOYSA-N 359.352 2.292 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncc(Cl)cn3)CC2)n1 1888842998 YUXCYYZUPUGSDG-UHFFFAOYSA-N 359.865 2.155 0 40 FEAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888850030 VROYZWMZUAQFBY-KBPBESRZSA-N 353.401 2.097 0 40 FEAB O=C(Nc1ccc(-c2ccon2)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1120931934 LXQFSSRZAXQRKC-OIISXLGYSA-N 367.405 2.354 0 40 FEAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cn3c(C)cccc3n2)[C@H]1O 1848354798 NWZCERWAPFHBBV-QGPMSJSTSA-N 353.426 2.032 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccnc(OCC2CC2)c1 245171739 XSXBERZBALMIJB-UHFFFAOYSA-N 368.437 2.032 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@](O)(C(=O)CO)CC[C@@]12O 2049238379 NTTRGAIOMZIGLW-ARWYLSQWSA-N 364.482 2.006 0 40 FEAB O=C(NCCNC(=O)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 13854768 NGVQFINXMOQDIB-UHFFFAOYSA-N 357.435 2.256 0 40 FEAB O=C1[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2C(=O)N1Cc1ccccc1 2086875527 WSLPFRMBBXMHRX-HOTGVXAUSA-N 360.417 2.180 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2N)cc(OC)c1 9748836 GLWUDWLTWZHPDU-UHFFFAOYSA-N 367.409 2.487 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2130600 UTDOUDMTSCJWPW-BMLIUANNSA-N 361.394 2.268 0 40 FEAB biogenic C[C@@H]1CN(c2ccc(NC(=O)CCNC(=O)c3ccoc3)cn2)C[C@@H](C)O1 40142659 FWXGWKDKUAPGKU-ZIAGYGMSSA-N 372.425 2.047 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCCN2CCc3ccccc3C2)cc1C 31338745 UXZUQTZXHRTAGW-UHFFFAOYSA-N 365.477 2.208 0 40 FEAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2c(=O)cnc3ccccc32)cc1 31560648 TZAPBCUJGCJUPK-HNNXBMFYSA-N 368.389 2.013 0 40 FEAB COc1cccc(OCCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 32404005 LZIWKGZEFMADOH-UHFFFAOYSA-N 356.300 2.211 0 40 FEAB COC(=O)c1c(CC(C)C)csc1NC(=O)CCN1C(=O)CCC1=O 32832948 PLEKUIBJGNNIFR-UHFFFAOYSA-N 366.439 2.211 0 40 FEAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 21718446 RWFGIKNJCRSOAB-UHFFFAOYSA-N 361.467 2.474 0 40 FEAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NC[C@@H]1CCCO1 41253700 CTOXIBHDTBJGSG-HNNXBMFYSA-N 361.829 2.249 0 40 FEAB O=C(Cc1ccc2ccccc2c1)NC1CCN(CC(=O)NC2CC2)CC1 32934742 VPHKNVUNOBANCH-UHFFFAOYSA-N 365.477 2.242 0 40 FEAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CC[S@](=O)C1 76092158 SLXWLHQSODOIKY-APXPCNQMSA-N 354.378 2.190 0 40 FEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 78676870 YCALMVQUAYCZBJ-NSHDSACASA-N 367.389 2.366 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2ccccc2)c1 2787714 LDTYOYKNCMPEJT-UHFFFAOYSA-N 359.393 2.224 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 3480622 JUNUBQDHCBLVSN-MRXNPFEDSA-N 367.405 2.187 0 40 FEAB CCN(CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NC 4133632 IRYXPXMPBZWHLE-UHFFFAOYSA-N 360.527 2.485 0 40 FEAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cn2nc(O)c3ccccc3c2=O)cc1 4278179 JGCHABGRPVVSIH-ZDUSSCGKSA-N 366.373 2.225 0 40 FEAB O=C(O)c1cccc(NC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 103716121 ONHACSZYTRSPKH-TZMCWYRMSA-N 353.378 2.198 0 40 FEAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C)c1 22549117 IKWLBOYHBCRZQB-GFCCVEGCSA-N 365.397 2.026 0 40 FEAB COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F 7495456 UPPISZTYVSHIMC-UHFFFAOYSA-N 368.405 2.484 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)c1 7881862 KEHDJEYKFYWACB-ZDUSSCGKSA-N 354.362 2.385 0 40 FEAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCC1 807223 XCMQECLXJYDMHC-UHFFFAOYSA-N 374.462 2.166 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 47412831 GKXXKAVRQDEBDV-JKSUJKDBSA-N 374.485 2.270 0 40 FEAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccn1 24439182 JBAQFAGUVTZOLD-QGZVFWFLSA-N 365.433 2.248 0 40 FEAB COC(=O)C1=C(O)c2sc(-c3ccccc3)cc2S(=O)(=O)N1C 34500947 NDLUBKJKRBRRDD-UHFFFAOYSA-N 351.405 2.449 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)CCNC(=O)c1cccs1)OCO2 57578560 CCXPTWZQMQJHPB-UHFFFAOYSA-N 360.391 2.438 0 40 FEAB C[C@@H]1CN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C[C@@H](C)O1 3242968 SJVDFYRIXQUXOH-RKDXNWHRSA-N 361.225 2.368 0 40 FEAB Cc1[nH]c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2c1C 10104367 VLUJKFJQQYIIRW-UHFFFAOYSA-N 373.416 2.494 0 40 FEAB COc1ccc(OC)c(CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 27502483 RIXNHULOQXAXAH-UHFFFAOYSA-N 368.389 2.287 0 40 FEAB COCCOc1ncccc1C(=O)NCc1ccc(OCC2CC2)nc1 58182900 PDPPUULARPRLFG-UHFFFAOYSA-N 357.410 2.221 0 40 FEAB O=C(NCC(=O)N1CCN(Cc2ccccc2F)CC1)C1CCCCC1 12614332 UHPBBTJDQFCWND-UHFFFAOYSA-N 361.461 2.166 0 40 FEAB O=S(=O)(Nc1cnn(Cc2ccccn2)c1)c1c(F)cccc1F 58179508 NUMXBLNMNVTKOE-UHFFFAOYSA-N 350.350 2.405 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 58278680 LVCXQXREORRZRE-HWKANZROSA-N 368.389 2.315 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C 58292177 ZNFFGXZKPKHKPR-GXTWGEPZSA-N 366.845 2.004 0 40 FEAB CCCS(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 27745352 OQVPIODJMJOYDX-SECBINFHSA-N 373.431 2.267 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccccc2)C1 58044025 KNRDZQASPZGLIV-INIZCTEOSA-N 370.540 2.098 0 40 FEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@H]1COc2ccccc2C1 28075049 FSZTXZNQKMEAKX-LBPRGKRZSA-N 366.339 2.235 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2c(F)cccc2F)cc1 20245814 VNLBXIJENLGMBX-UHFFFAOYSA-N 369.393 2.460 0 40 FEAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 2393751 ZULIZQXKUMTYLY-GOSISDBHSA-N 374.466 2.215 0 40 FEAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C[C@@H]2CCCO2)c1 2428797 IWUPGZSGWQLTCG-HNNXBMFYSA-N 353.422 2.193 0 40 FEAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 113941455 GLVWXYIEZUKRHS-NSHDSACASA-N 362.879 2.275 0 40 FEAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccnc3)CC2)C1 306125765 DBUVFGOFNRSGBZ-UHFFFAOYSA-N 364.453 2.370 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12 13598214 PWBLWVLXMGIXNP-KRWDZBQOSA-N 350.374 2.042 0 40 FEAB biogenic CCn1ncc(-c2csc(NC(=O)c3nccnc3C(=O)O)n2)c1C 71284615 SKSCWPPCQDOTBS-UHFFFAOYSA-N 358.383 2.075 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 29174388 YUPVEXLFCFUNRA-UHFFFAOYSA-N 369.377 2.008 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc2c1C 5207794 RSZXFNKYKBRYMB-UHFFFAOYSA-N 369.421 2.364 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cc(-c3ccccc3)on1)CS2 65498753 UQZMQJMNNWBOSK-KSSFIOAISA-N 357.435 2.412 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)nc1 14184048 KIRXOKWWFFMLKR-UHFFFAOYSA-N 350.422 2.372 0 40 FEAB Cc1cnc(-c2cccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)c2)o1 66812279 HIMNFUHNTPUFEB-HNNXBMFYSA-N 363.439 2.403 0 40 FEAB Nc1nc(N)nc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 6977759 VAWOQLPUJZSAKQ-UHFFFAOYSA-N 366.410 2.169 0 40 FEAB C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Cl 15352139 WANGLHVQPVSNPY-LLVKDONJSA-N 367.858 2.277 0 40 FEAB CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 67364133 WAGOQXQIAGPYJJ-ZWKOTPCHSA-N 371.481 2.031 0 40 FEAB O=C1CCC(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)=NN1 7141258 XYEGZMFLPTWCAT-UHFFFAOYSA-N 367.361 2.227 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N[C@@H](C)C2CC2)nc1 7121076 UCXAEFJGSJRIQG-LBPRGKRZSA-N 371.528 2.119 0 40 FEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCCCC1 7378315 IAHHFZYJUMAXRK-CQSZACIVSA-N 353.488 2.140 0 40 FEAB COc1cccc(CN(C)CC(=O)NCC(=O)Nc2c(C)cccc2C)c1 7670321 UPRFWHJTTWCNAX-UHFFFAOYSA-N 369.465 2.499 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nccs1 16641462 NTVNTJNFCVLVRV-UHFFFAOYSA-N 365.480 2.499 0 40 FEAB Cn1c(SCCN2CCOCC2)nc2sc3c(c2c1=O)CCCC3 19892956 CXHNCXLWZGSJJU-UHFFFAOYSA-N 365.524 2.298 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)c1cn2c(C)cccc2n1 9721481 TYGIHTSGMADFLH-UHFFFAOYSA-N 356.451 2.483 0 40 FEAB COc1cc(OC)nc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 97020305 CJPPQTFDVYMPBZ-CYBMUJFWSA-N 361.377 2.033 0 40 FEAB COc1ccc(CC(=O)Nc2c[nH]cc(Br)c2=O)cc1OC 95445063 GUNDOWVYGDWJEV-UHFFFAOYSA-N 367.199 2.336 0 40 FEAB COc1cccc(-c2nc(C(=O)NC[C@@H](C)CN3CCOCC3)c(C)[nH]2)c1 89547893 FGTUBJSMUGZMOX-CQSZACIVSA-N 372.469 2.092 0 40 FEAB COC(=O)Cn1nc(C)c(CNC(=O)c2ccccc2OC(C)C)c1C 89512641 IEGXTOVJYDCDLW-UHFFFAOYSA-N 359.426 2.390 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2nncn2C)CC1=O 120984441 HZFZSESTZGUCQF-NVXWUHKLSA-N 367.453 2.094 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 32819610 PPJINYDHWBZRLE-KRWDZBQOSA-N 358.463 2.094 0 40 FEAB Cc1csc(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c1 560285128 AZOXWCOFCDPTIF-STQMWFEESA-N 370.475 2.084 0 40 FEAB Cc1cccc(C(=O)N2CCN(c3ccc(N)cc3-n3cnnc3)CC2)c1 70461827 CZHGDIBTGOXRNC-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1ccc(F)cc1)C(=O)O 225158140 GDJRBNPJPSRXKJ-HNNXBMFYSA-N 355.362 2.427 0 40 FEAB COCc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 227168474 UJVOFVIWKQQPFH-LLVKDONJSA-N 362.407 2.353 0 40 FEAB Cc1ccc2c(cnn2CCC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 226745723 DXBZPDLARHILQS-HNNXBMFYSA-N 354.454 2.252 0 40 FEAB CC(C)n1cnc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c1 225641708 VSQOHTIEWTVWLX-UHFFFAOYSA-N 357.439 2.400 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2C 96036991 JVELPPBAYXWVDE-UHFFFAOYSA-N 374.510 2.136 0 40 FEAB CC(C)n1cnc2c1[C@@H](C(=O)N1CCC(N(C)C)CC1)N(CC1CC1)CC2 96147237 VKWGGYVWDSRUJA-FQEVSTJZSA-N 373.545 2.326 0 40 FEAB CC(=O)N1C[C@@H](c2ncn(C(C)C)n2)c2cc(C(=O)NC3CC3)ccc21 96267756 BDZCCNMKSDJRKD-MRXNPFEDSA-N 353.426 2.250 0 40 FEAB c1csc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)n1 96048977 DTOZGRGRRHZUEH-UHFFFAOYSA-N 350.513 2.467 0 40 FEAB CNC(=O)c1cc2cc(NC(=O)c3ccnn3C3CCOCC3)ccc2[nH]1 614251018 VBCYYXIYRCZYRB-UHFFFAOYSA-N 367.409 2.328 0 40 FEAB O=C(NCc1cccc(OC2CC2)c1F)N[C@@H]1C[C@@H]2CCCCN2C1=O 661302272 QXHWEFGWVKFWLV-DZGCQCFKSA-N 361.417 2.320 0 40 FEAB CCS(=O)(=O)C1CN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 663568789 VZYFYQBHMKUZPA-UHFFFAOYSA-N 368.352 2.173 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390830624 MGTIJIHUWHAOOH-ZDUSSCGKSA-N 360.391 2.067 0 40 FEAB CCOCC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575403840 KUMNCSXHRHSMRE-KRWDZBQOSA-N 362.470 2.423 0 40 FEAB OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 585267903 UMJLYFIIYNNFFK-OALUTQOASA-N 363.841 2.335 0 40 FEAB COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109554 BJGQTDPKFVTXKR-IRFCIJBXSA-N 358.482 2.336 0 40 FEAB O=C(NCc1cc(F)cc2c1OCOC2)N[C@@H]1CCO[C@H]1c1ccncc1 685939080 XJPGXSAYUIRLOV-AEFFLSMTSA-N 373.384 2.417 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(OCCn2cccn2)c1 48312848 CHJQYQWNRGMQAP-HNNXBMFYSA-N 371.441 2.095 0 40 FEAB COc1ccc(CC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1OC 5666579 GSGGHVPSUBMCFA-UHFFFAOYSA-N 374.418 2.368 0 40 FEAB O=C(CS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1 11666459 GCYZGBPLIFQBIU-UHFFFAOYSA-N 368.455 2.010 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N1CCCC1=O)CC1(CCOCC1)O2 12087036 QCHXITIFLWISBM-RDJZCZTQSA-N 372.465 2.495 0 40 FEAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)NC2CCCC2)CC1 12219469 DEIYCZMJUJQVGH-UHFFFAOYSA-N 361.461 2.312 0 40 FEAB CCc1cc(C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)on1 12365773 UTHCWEMFRUOPCF-HNNXBMFYSA-N 362.455 2.423 0 40 FEAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 13673005 MNEJEMCQOJMCBW-QGZVFWFLSA-N 367.515 2.443 0 40 FEAB Cn1cnc2cc(C(=O)Nc3cnn(CC(=O)N4CCCCC4)c3)ccc21 19746153 IYMRGMKMBMQIRS-UHFFFAOYSA-N 366.425 2.035 0 40 FEAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c3c(cnc21)C(=O)CCC3 19962368 ZKJKLLXIOSWTHR-UHFFFAOYSA-N 369.808 2.316 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3ccc(Br)o3)C[C@@H](C)O2)o1 619288449 ATURJEPHOJINSG-GMSGAONNSA-N 356.176 2.336 0 40 FEAB CC(C)c1noc([C@H](NC(=O)N[C@H]2CCO[C@@H]2C)C2CCOCC2)n1 583614753 ZUHLTUXWDJOYRG-KWCYVHTRSA-N 352.435 2.137 0 40 FEAB Cc1noc(C)c1C(=O)N1C[C@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888888441 CAVHOXUOJZJQDW-GJZGRUSLSA-N 365.437 2.387 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1Br 28023798 YTNVRBSEDOXCAV-UHFFFAOYSA-N 356.216 2.437 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223286 DBJBUOPHBQOQFV-HOTGVXAUSA-N 360.364 2.481 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)o1 2720246 AHMPDXQALKPONO-NSHDSACASA-N 364.427 2.193 0 40 FEAB CCN(CC)c1ccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc2c1 9118919 MYCICVMQJVEMJI-UHFFFAOYSA-N 368.353 2.321 0 40 FEAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)/C=C/c2cccs2)C1 2055771613 MQFFUAKBMNMJQO-DKFQHHCZSA-N 358.467 2.064 0 40 FEAB O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 20614854 RXJWADRTPMULFD-HNNXBMFYSA-N 370.858 2.285 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](C)(O)Cc1ccco1 206619421 YOHIFGKCCMSMOJ-KRWDZBQOSA-N 353.440 2.177 0 40 FEAB CC(C)c1ncncc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 40141697 KHCQDTXQNHIIGW-UHFFFAOYSA-N 360.439 2.293 0 40 FEAB COc1ccccc1CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 40159599 PCMOSWFJLNFKMC-OAHLLOKOSA-N 363.435 2.047 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 40144980 FJBXYSJUFMIZFZ-SSDOTTSWSA-N 358.366 2.313 0 40 FEAB CCn1nc(C)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2O)c1C 40268797 SKDDLZPYOSAUHN-UHFFFAOYSA-N 350.806 2.134 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2NC1=O 32772913 CHHRRNORVVBOFS-FZMZJTMJSA-N 369.377 2.242 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 32754262 WNBXQOZCOHLJFJ-CJNGLKHVSA-N 351.403 2.177 0 40 FEAB CC1CCC(N(C)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 32909162 MRDJGRMXDFRMFK-UHFFFAOYSA-N 374.528 2.136 0 40 FEAB C[C@@H](CC(=O)OCC(=O)c1ccc(O)cc1O)NC(=O)c1ccccc1 18340362 AOYJXYRFIALDKU-LBPRGKRZSA-N 357.362 2.032 0 40 FEAB COc1ccc(OCc2nnc(SCC(N)=O)n2-c2ccccc2)cc1 870415 QDFOOBQBAKNZIN-UHFFFAOYSA-N 370.434 2.432 0 40 FEAB CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc2c(c1)nnn2C 76041252 FGSIOBBRMSBJJM-HXUWFJFHSA-N 366.421 2.263 0 40 FEAB COc1ccc([C@H]2NC(=O)N3[C@@H](c4ccc(OC)cc4)NC(=O)N23)cc1 1716088 LFANLKCCGBGRGL-HOTGVXAUSA-N 354.366 2.367 0 40 FEAB CCc1nc(C(=O)N[C@@H]2CCCn3ncnc32)nn1-c1ccccc1Cl 79053598 ZRIFPZITPWCMPL-GFCCVEGCSA-N 371.832 2.340 0 40 FEAB CCOC(=O)C1=C(CN(C)CCSC)NC(=O)N[C@H]1c1ccccc1 79075226 PIBBQZUWAAMOPI-INIZCTEOSA-N 363.483 2.153 0 40 FEAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](C(=O)O)C(C)C 627722 ZSFPOBACWDXNLK-GOSISDBHSA-N 361.394 2.268 0 40 FEAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 4124774 BJLOPVKFECOISX-OEMYIYORSA-N 355.434 2.354 0 40 FEAB CCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305633 OYRJKBJHXPEUCP-INIZCTEOSA-N 357.479 2.494 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 4364085 OVEMEUGSBAVJNV-UHFFFAOYSA-N 371.216 2.047 0 40 FEAB Cc1cccc(N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 23194260 FBVHDOXHKUQYCU-UHFFFAOYSA-N 367.449 2.276 0 40 FEAB Oc1cccc([C@@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)c1 10297793 POWXZMNZQSAZDB-CQSZACIVSA-N 365.378 2.298 0 40 FEAB COCCN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O 24975909 MYRFMVRWLQOQLI-UHFFFAOYSA-N 358.419 2.019 0 40 FEAB Cc1ccccc1OCCCN(C)C(=O)Cn1nnc2ccccc2c1=O 55870781 SAUQVXSCNXQPLF-UHFFFAOYSA-N 366.421 2.027 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccsc1 25331944 NIOUIRYJIPDYLL-QGZVFWFLSA-N 355.467 2.421 0 40 FEAB COc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)cc1OC 56181963 DGSQEVWAADAFCI-STQMWFEESA-N 351.447 2.225 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccnc(Cl)c3)CC2)C1 58065962 XEFGJZBYLIYJSZ-IYBDPMFKSA-N 364.921 2.357 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)Cc1ccccc1F 58044675 IAUJYHKUKIWFOX-LJQANCHMSA-N 370.424 2.384 0 40 FEAB O=c1c2ccccc2nnn1C[C@H](O)CO[C@H]1CCCc2ccccc21 58014242 VYTYKRSBHZCQRE-KXBFYZLASA-N 351.406 2.247 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)NCc2ccccc2)C1 107264933 FATUDOIQBWCHDB-ZHALLVOQSA-N 355.438 2.197 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1OC 58162650 LYKWDUGOPWPVLO-KSSFIOAISA-N 370.515 2.493 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)CSc2ccc(O)cc2)c2ccccc2O1 47895471 TZCZDAGFTLOBEN-INIZCTEOSA-N 358.419 2.025 0 40 FEAB CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 21701916 JLPXSDHGXOKWFU-OKKBVBHFSA-N 361.486 2.284 0 40 FEAB O=C(CSc1nnc(CN2CCOCC2)o1)Nc1cccc(Cl)c1 22423676 GKJOLVJIGZPKBE-UHFFFAOYSA-N 368.846 2.286 0 40 FEAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1C[C@@H](C)O[C@H](C)C1 2387307 IPMLNIPTCWCDFR-ZIAGYGMSSA-N 359.430 2.069 0 40 FEAB CCOC(=O)c1ccoc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8924718 UBSGNWNPNFPSDS-LJQANCHMSA-N 370.361 2.186 0 40 FEAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCCC2)C1=O 3610732 FXRUWDGQAUTZLY-HXUWFJFHSA-N 351.406 2.229 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207594 KTDALTPMMIUERE-CQSZACIVSA-N 356.488 2.319 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(CN2CCCC2=O)c1 13259962 STWFGZBXSFJTSS-SFHVURJKSA-N 366.417 2.235 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 5239911 HFSKOCNNCCLJTO-CQSZACIVSA-N 357.362 2.063 0 40 FEAB COc1ccc([C@@H](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)NC(C)=O)cc1 14240244 HXBNMHWMBJTMTE-MRXNPFEDSA-N 368.393 2.071 0 40 FEAB CC1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 20110297 KYHVEDDWTMMALC-HNNXBMFYSA-N 372.874 2.126 0 40 FEAB CN1C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N(C)C1=S 6671850 MOQUAWRPCVLXLE-CYBMUJFWSA-N 363.870 2.067 0 40 FEAB NC(=O)NCCCCCC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 6847178 OVPQDHFQBFXZBY-UHFFFAOYSA-N 369.849 2.346 0 40 FEAB CN(C)[C@H](CNC(=O)CCNC(=O)c1ccccc1Cl)c1ccco1 6948568 VHJIESXORJXHKN-OAHLLOKOSA-N 363.845 2.472 0 40 FEAB O=C(COC(=O)c1cc(Cl)ccc1O)NCc1ccc2c(c1)OCO2 7506045 GJGSINBPEIYROM-UHFFFAOYSA-N 363.753 2.248 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C[C@H]1CCCO1 16045173 VGTRUCDIZSKTDK-CQSZACIVSA-N 358.394 2.012 0 40 FEAB COc1ccc([C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 95348668 VCMZVOSQLMNYNI-CKEIUWERSA-N 356.488 2.336 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 69782505 KJCKWOBOHAFVMS-UGSOOPFHSA-N 362.451 2.218 0 40 FEAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4ccccc4)c(=O)c3c2=O)n1 18063677 ZVWQVRLHIILBEW-UHFFFAOYSA-N 361.405 2.313 0 40 FEAB Nc1nc(Cl)cc(NNC(=O)c2cc(Br)ccc2F)n1 95467358 YVRHCBGRBHGSQX-UHFFFAOYSA-N 360.574 2.371 0 40 FEAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 75092539 VPMQXTMNEAOYMD-LBPRGKRZSA-N 358.398 2.378 0 40 FEAB CN(CC(=O)OCC(=O)Nc1cccc2ccccc12)c1ncccn1 23173459 DIFJEWDZRVWVJJ-UHFFFAOYSA-N 350.378 2.248 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610374 TWXYLOLRFBUGNO-UONOGXRCSA-N 356.488 2.365 0 40 FEAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 64946747 PLVKQBUIYLYTFW-UHFFFAOYSA-N 350.421 2.409 0 40 FEAB Cc1nnc([C@]23COC[C@@H]2CN(C(=O)c2cc(C)n(C(C)C)c2C)C3)o1 1551078997 ZGTBZAFGXFGKHK-HNAYVOBHSA-N 358.442 2.417 0 40 FEAB COc1cc2nc(NN)n(Cc3ccccc3Cl)c(=O)c2cc1OC 408712634 DCKWEUCARCXSIN-UHFFFAOYSA-N 360.801 2.401 0 40 FEAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCCO)sc2n1 408625187 XFURYZRSRVXVQZ-UHFFFAOYSA-N 352.485 2.126 0 40 FEAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1cc(C)ccc1OC 39985528 UYLROZFEXPGQOG-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB COc1cc(Br)ccc1CN1CCN(C[C@@H](C)O)C[C@@H]1C 551584728 NABLGLFVNZWXHB-QWHCGFSZSA-N 357.292 2.345 0 40 FEAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncc(-n2ccnn2)c1 558760106 RRHFDFLXMDQBFV-UHFFFAOYSA-N 363.299 2.491 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2OC(C)C)s1 36182846 XKYKUVFPXHFJQE-UHFFFAOYSA-N 356.429 2.085 0 40 FEAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058294 MOCLUVQWQPIJMY-ULQDDVLXSA-N 351.855 2.217 0 40 FEAB CC(=O)N1CCN(C(=O)/C=C/c2cc(C)n(-c3cc(C)on3)c2C)CC1 40025415 OAGFEGLMCUQBAN-AATRIKPKSA-N 356.426 2.094 0 40 FEAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCCCCC2)nc1 223894062 AQGZOJYTEPMQOK-UHFFFAOYSA-N 363.531 2.081 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCC2CCCCC2)ccc1OC 224224577 DKTZEHQUTUPEKQ-UHFFFAOYSA-N 354.472 2.304 0 40 FEAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 95479433 IGCOJMZOBNFNNE-OALUTQOASA-N 366.417 2.276 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 245377224 JDRAQFXCNZIIPO-KKFGISDUSA-N 357.406 2.101 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247799585 FFDRJHYXJSIBHJ-OAHLLOKOSA-N 368.389 2.120 0 40 FEAB CCN(CC)C[C@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn2C1 247865029 AHEMPBSGMBTUQG-SFHVURJKSA-N 370.497 2.435 0 40 FEAB O=C(/C=C/c1ccco1)NCCNc1cc(Nc2ccccn2)ncn1 85472232 HYJKVNXIWKUDEY-VOTSOKGWSA-N 350.382 2.450 0 40 FEAB Cc1ncncc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C 257224797 FDJPVDAMEUHOCS-QOJCHSLYSA-N 360.502 2.261 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1Cc1ccc2c(c1)OCCO2 257298804 RNIXTRJYUSFHNA-QGZVFWFLSA-N 355.438 2.390 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2cnc(-n3ccnc3)nc2)cc1OC 85555529 MWGGHMKCAZTJAK-GQCTYLIASA-N 351.366 2.331 0 40 FEAB O=C(CC1CCN(C(=O)CCc2ccc(O)nc2)CC1)NC1CCCC1 683830710 VKHXLXSNKDYLJU-UHFFFAOYSA-N 359.470 2.407 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@H](C(=O)O)C2)cc1Br 62118283 BMKVBQXECJGFJI-NSHDSACASA-N 356.216 2.323 0 40 FEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cnc(C)nc2O)C1 585277359 SOPCFDVGVOTMBT-LJQANCHMSA-N 357.410 2.191 0 40 FEAB COc1ccc(C)cc1CCNC(=O)N1CCC[C@H]1CN1CCOCC1 73537335 LSGAEUXTGAEZKB-SFHVURJKSA-N 361.486 2.052 0 40 FEAB CC(C)n1cc([C@]2(O)CCCN(C(=O)COC3CCCCC3)C2)nn1 583619007 TUZDCAPDRXKRKD-SFHVURJKSA-N 350.463 2.018 0 40 FEAB Cc1nc(N2CCOCC2)sc1C(=O)NCCN1CCc2ccccc21 12148438 VMUYZEFRBKLEHA-UHFFFAOYSA-N 372.494 2.081 0 40 FEAB Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)c1 19234610 IQABQHMEFHGMBM-QGZVFWFLSA-N 363.465 2.257 0 40 FEAB Cn1c(N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)nc2ccccc21 19289978 KUAYJQIPFSJUBZ-INIZCTEOSA-N 366.469 2.193 0 40 FEAB CN1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 19589791 WAUGEJUIGPJCFP-UHFFFAOYSA-N 372.494 2.034 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCOC3CCCCC3)ccc21 11355790 YLTACBXTFGZSQC-UHFFFAOYSA-N 373.453 2.179 0 40 FEAB CCN(CC)C(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 12423175 HLOITIPPBXGJOS-UHFFFAOYSA-N 366.483 2.329 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)no1 1888859567 STHDNGHOWZFXGU-OKILXGFUSA-N 355.442 2.279 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1n[nH]c2ccccc12 22687400 SKQVYYYWMZENKJ-INIZCTEOSA-N 350.422 2.194 0 40 FEAB O=C(NCc1nc(-c2ccnc(O)c2)no1)c1cc(-c2cccs2)n[nH]1 238823827 DGRIXJLLWBOTBC-UHFFFAOYSA-N 368.378 2.219 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCCn1cc(-c2ccccc2)cn1 245026618 NDINWEDTLRNLJQ-UHFFFAOYSA-N 362.389 2.274 0 40 FEAB Cc1nccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)n1 2037908966 IWOFYZOTKSWIDQ-IBGZPJMESA-N 359.401 2.360 0 40 FEAB CC(C)N1C[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)COCC1=O 2037985718 TUEQHDREKHLMTC-FQEVSTJZSA-N 362.445 2.244 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)c1c[nH]c2ccccc12 4497451 PLHKMBZNWUGUIR-CYBMUJFWSA-N 365.364 2.411 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940764 MAMPVNULUPIQSJ-SECBINFHSA-N 366.345 2.137 0 40 FEAB Cc1ccsc1S(=O)(=O)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 2055835527 SNXPQJSSFQYQOO-OAHLLOKOSA-N 370.540 2.465 0 40 FEAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1C[C@@H]1CCCO1 100219238 YQALYBALQFVUDQ-WFBYXXMGSA-N 369.204 2.260 0 40 FEAB Cc1cc(C)nc(SCC(=O)NCc2ccc(N3CCCC3)nc2)n1 30299436 BSSMCIPSTQZWAG-UHFFFAOYSA-N 357.483 2.497 0 40 FEAB CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)n[nH]1 21096464 GYHDPDIHIRPIPI-UHFFFAOYSA-N 359.791 2.049 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H]2CCc3ccccc32)cc1 32850799 SOVMUPJBMQGARH-RDTXWAMCSA-N 358.463 2.466 0 40 FEAB CC[C@@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1 32848646 MQUWMNCXTOXYAU-BXUZGUMPSA-N 362.357 2.498 0 40 FEAB CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1CC 2640254 YPVXLGQPWAJZSX-LLVKDONJSA-N 357.410 2.490 0 40 FEAB COc1ccc(-c2n[nH]c(N3CCN(c4ccccc4)CC3)nc2=O)cc1 41604466 FZVCTRKLKGYAFI-UHFFFAOYSA-N 363.421 2.167 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1cccs1 41795430 CIRGYUXJHVCZHN-ZDUSSCGKSA-N 352.481 2.184 0 40 FEAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccc(F)cc3)c(=O)n1C2 4258943 SLPMKXZTAGSGPE-DZGCQCFKSA-N 369.396 2.205 0 40 FEAB biogenic,in-vitro C[C@H](c1ccccc1)n1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1 4986258 IHWBXVFYMUQQNG-GDBMZVCRSA-N 364.405 2.457 0 40 FEAB CC(C)[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 104087757 ZHSOZLNHDZUNFN-SXGZJXTBSA-N 362.470 2.380 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CSc1nc(N)cc(N)n1 6533348 WGFRHDFWJVFQLS-UHFFFAOYSA-N 368.260 2.443 0 40 FEAB CC1CCN(S(=O)(=O)c2csc(C(=O)NC[C@H]3CCCO3)c2)CC1 6680716 FTMFTATVBOZZQE-CYBMUJFWSA-N 372.512 2.078 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 10297476 QUPQNDISSFXNNF-CQSZACIVSA-N 351.301 2.263 0 40 FEAB O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)Nc1nccs1 12389225 VVJFYPBLOCMJDN-UHFFFAOYSA-N 372.435 2.302 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2F)C1 23118148 AIIXTFYPODEXDW-CYBMUJFWSA-N 356.353 2.224 0 40 FEAB COc1cc(CNC(=O)CN2CCOCC2)ccc1OCc1ccccc1 24031770 PDEMVPSFPAHVMM-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB O=C(Cn1ccccc1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9640555 FIMMQVFNSXFIGQ-UHFFFAOYSA-N 355.375 2.339 0 40 FEAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(C)C 24991178 QSTWVOGCHUHWMT-OAHLLOKOSA-N 370.519 2.212 0 40 FEAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C 47726870 MAKWMZKANBHRNE-UHFFFAOYSA-N 360.458 2.315 0 40 FEAB Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1C 1462413 LFLQZNHXEPIVKW-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB O=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccccc1Cl 57327002 STYILIAUKZPEGZ-UHFFFAOYSA-N 373.840 2.442 0 40 FEAB CCN(CC)C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489917 XNWVRUSVOLGQHW-UHFFFAOYSA-N 371.462 2.391 0 40 FEAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)N2CCCC2)cc1 100113516 OJRGDWGEMBDFRA-MPGHIAIKSA-N 366.483 2.268 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)CC1 17946099 OXDVFSWAOKAXHR-KRWDZBQOSA-N 358.438 2.156 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccn(-c2cccc(F)c2)n1 58181926 VMXBSPDVYYQGHF-IBGZPJMESA-N 350.397 2.424 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)n1 12680396 XSCPZWYACASLPO-UHFFFAOYSA-N 356.470 2.330 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)OCN1C(=O)c2ccccc2C1=O 10550967 LETCZRBMZGNVDB-UHFFFAOYSA-N 360.753 2.341 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(=O)OC)cc1 2258096 FQBBBKJBCNNLRB-HZMBPMFUSA-N 374.418 2.295 0 40 FEAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@H](O)COCC(C)C)c1 45718161 YYVPSSIOLVCQDJ-DYVFJYSZSA-N 351.447 2.039 0 40 FEAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 11519443 NFVZVCBFADTDHH-UHFFFAOYSA-N 370.434 2.240 0 40 FEAB CCOc1cc2c(cc1CNC(=O)CCNC(=O)c1ccco1)O[C@H](C)C2 12799591 XZPPNNFKXDXEIQ-CYBMUJFWSA-N 372.421 2.438 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=S)NC(=O)c1cccc(C)c1 3329420 RACZIDQFGLVAFG-INIZCTEOSA-N 356.447 2.384 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CC2(Cl)Cl)cc1 3353996 XEXYXVUJFMXSSD-SNVBAGLBSA-N 352.239 2.288 0 40 FEAB CN1CC(=O)N(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1=O 3314737 JTOTYFRJCAJZNT-UHFFFAOYSA-N 351.406 2.128 0 40 FEAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12853256 JQHHVVJEBUPHJT-LSDHHAIUSA-N 354.834 2.184 0 40 FEAB O=C(CN1CCCCCC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12889945 XMESTSXEOBLBIE-QGZVFWFLSA-N 350.484 2.083 0 40 FEAB O=S1(=O)N=C(CN2CCN(c3ccc(F)cc3)CC2)Nc2ccccc21 69927631 MKVMOMNSPFITJA-UHFFFAOYSA-N 374.441 2.161 0 40 FEAB COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2CO)ccc1O 13400361 SPQBUENVXULSQS-NVXWUHKLSA-N 356.330 2.381 0 40 FEAB biogenic COCCn1c(S[C@H](C)C(=O)N2CCCC2)nc2ccccc2c1=O 5015921 SVYMJYPDXIPPKT-CYBMUJFWSA-N 361.467 2.146 0 40 FEAB O=C1N[C@H](CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 5389165 RHVYAEILQRLGIX-QGZVFWFLSA-N 353.397 2.349 0 40 FEAB Cc1cccc(C2(NC(=O)Cn3cnc4c(cnn4C)c3=O)CCCC2)c1 65611670 RQKYCTFENAPOFE-UHFFFAOYSA-N 365.437 2.024 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O 409038647 AKRSEEAWIVQMHO-WLRTZDKTSA-N 365.363 2.023 0 40 FEAB Cc1cccc2nc(CSc3nnnn3-c3cccc(F)c3)cc(=O)n12 6879927 RDCTYRGTENQAQQ-UHFFFAOYSA-N 368.397 2.410 0 40 FEAB COC(=O)c1cc(NC(=O)Cn2cnc3ccccc32)cc(C(=O)OC)c1 4937621 VTRFPVJOQHTNET-UHFFFAOYSA-N 367.361 2.248 0 40 FEAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc(F)ccc1F 7057282 AMANXDLKSNBPBP-SECBINFHSA-N 373.315 2.385 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)CC1 7575465 AEQOQPCNFPLELU-UHFFFAOYSA-N 362.426 2.008 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c1 7718451 NKYBNKMYBYGSNF-INIZCTEOSA-N 363.458 2.323 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8237081 QFXVPDHAOPKKJJ-ZDUSSCGKSA-N 370.421 2.154 0 40 FEAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 9550321 ZJQSAPMBSBOGDX-MRXNPFEDSA-N 365.389 2.188 0 40 FEAB CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC[S@@]1=O 88207076 GXFCHJQVOMUWOY-HSZRJFAPSA-N 357.859 2.484 0 40 FEAB CCc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c(n1)c(C)nn2C 28557565 SDYNBWRYFCUKBV-UHFFFAOYSA-N 370.482 2.258 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1C 408625251 WDFDFDLCWIIRIG-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1Cl 408589992 IPAPEJXJZXMVAA-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB COC(=O)Cc1csc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 31763368 CDNFPPLYOSRMHJ-UHFFFAOYSA-N 373.434 2.167 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccn(COc2ccccc2)n1 71195561 BPANOHCNLPOSGE-MRXNPFEDSA-N 351.410 2.461 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2c(F)cccc2F)cc1 78551799 YKJOIPHUPBSOQI-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 85473351 OADLFTACZPOKNK-KRWDZBQOSA-N 352.475 2.035 0 40 FEAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(=O)NC)cc1 223275316 YQOLBTIJGNRLIY-UHFFFAOYSA-N 362.451 2.483 0 40 FEAB COc1cnccc1N1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 573035830 GQACJNJGWNEPOQ-INIZCTEOSA-N 352.438 2.254 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1 225158266 UYHLDAYCHLWWID-INIZCTEOSA-N 351.399 2.451 0 40 FEAB O=C(NCCOc1ccc(F)cc1)c1ccc(CN2CCOCC2)cc1 223414105 BOVPJGINRFHOQI-UHFFFAOYSA-N 358.413 2.467 0 40 FEAB COc1cc(NC(=O)NCc2ccnc(N3CCCC3)n2)cc(OC)c1 224200547 YFHIMBCBTMXHQQ-UHFFFAOYSA-N 357.414 2.416 0 40 FEAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96041060 WSVMSEOPKJGMPP-SNRMKQJTSA-N 355.438 2.013 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCc2cnn(C)c2)cc1 583616176 RWMACCQHLPWPJB-ICSRJNTNSA-N 357.454 2.260 0 40 FEAB O=C(C1CC=CC1)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 96220068 OBZLYZSZKRYXTF-HNNXBMFYSA-N 351.410 2.481 0 40 FEAB CCn1nc(C)c(NC(=O)COCc2nc(-c3ccncc3)no2)c1C 96182016 NSCSNGKXKGADEC-UHFFFAOYSA-N 356.386 2.120 0 40 FEAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)c1ccnnc1)CC2 96199657 BZNQCLBAKPJTKK-QGZVFWFLSA-N 350.422 2.097 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(C(=O)Cc4cccs4)C[C@H]32)cs1 96248775 GYGRCODVJIZXNN-CVEARBPZSA-N 363.508 2.167 0 40 FEAB Cn1cc(CN2CC3(C[C@H](CCOc4ncccc4F)CCO3)C2)cn1 248149760 SVXRRNUIZMZSGF-OAHLLOKOSA-N 360.433 2.404 0 40 FEAB Cc1ccc(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1S(N)(=O)=O 245237008 AYDQVYFUEGEDBR-CABCVRRESA-N 365.499 2.093 0 40 FEAB Cc1ccccc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248158540 NBDDUBBBUXUJDF-MRXNPFEDSA-N 363.479 2.051 0 40 FEAB NS(=O)(=O)c1ccc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)nc1 585082438 UAHLFAAMSTWWPT-JTQLQIEISA-N 370.837 2.212 0 40 FEAB CC(C)CC(=O)N1CCC(CNc2ccc(-n3ncn(C)c3=O)cc2)CC1 585080771 ISWVQEFXYMRLNQ-UHFFFAOYSA-N 371.485 2.268 0 40 FEAB COc1ncccc1C(=O)N1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257254377 KCUHYHTVVQRYEX-QGZVFWFLSA-N 354.410 2.099 0 40 FEAB CC(C)Oc1ccc(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 42720765 UBOMGPVQXNDTDL-INIZCTEOSA-N 371.524 2.053 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)c(C)n1 257280116 OJMMNNNLTZAXSK-GOSISDBHSA-N 355.442 2.220 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cnccn3)CC2)C[C@@H]1Cc1ccccc1 257219006 DFFYYLYULSDGOM-KRWDZBQOSA-N 364.449 2.172 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2cccc(F)c2)n1 257265815 MALGQWVCTZGQQL-GOSISDBHSA-N 356.401 2.158 0 40 FEAB Cc1n[nH]cc1CN1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 257296699 RDZXDIIHBVFMFU-OAHLLOKOSA-N 364.457 2.496 0 40 FEAB Oc1cc(C[C@@H]2COCCN(c3ccc(C(F)(F)F)cn3)C2)ncn1 257244761 IMQZSAVBFBEHJY-NSHDSACASA-N 354.332 2.292 0 40 FEAB Cc1cc(NC(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)cc(C)c1Cl 263091819 SOKPEMOKMGFHJM-CQSZACIVSA-N 369.849 2.206 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(C)C)cc2)C1 260504311 GKBFDLYNZFRWJU-AWEZNQCLSA-N 354.472 2.474 0 40 FEAB Cn1cc(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)nn1 679973476 MVIBTDJAVWEOEZ-UHFFFAOYSA-N 350.426 2.165 0 40 FEAB CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnn(C(C)C)c1)CC2 95504254 QUKCZYFEDYYPCL-UHFFFAOYSA-N 370.501 2.473 0 40 FEAB Brc1cnc(OC[C@@H]2CCCN(CCn3cccn3)C2)nc1 1775995812 JZIMWKXIFWIUCR-CYBMUJFWSA-N 366.263 2.227 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)O[C@H]2CCC[C@H](C)C2)o1 1775957119 DPFWJABCEQRNFZ-SBJFKYEJSA-N 351.447 2.250 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)[C@@H]1SC 596009141 PNSRNMFCXSNFGU-YUELXQCFSA-N 352.504 2.413 0 40 FEAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc3cccc(F)c3o2)CC1 607898174 PINMLLRHTZZMDC-HNNXBMFYSA-N 359.401 2.126 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N1CCC(O)CC1 604664267 XNFCJRMDVYQRAP-CYBMUJFWSA-N 357.376 2.450 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)[nH]1 621635897 GMJQEJGTGISIQP-UHFFFAOYSA-N 358.417 2.334 0 40 FEAB CC(C)(C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1)c1cnc[nH]1 621958081 SBCAGPRPPPBWLK-UHFFFAOYSA-N 367.375 2.450 0 40 FEAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](Cc2ccccc2)C1 1642331979 GCOXPXOSZJJOML-QGZVFWFLSA-N 365.437 2.040 0 40 FEAB Nc1noc2cc(CNC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)ccc12 627802695 FFZRMMRSBBKDPV-HIFRSBDPSA-N 356.426 2.207 0 40 FEAB O=C(c1cc(C(F)(F)F)cnc1O)N(CCO)CCc1ccccc1 635737550 TZRWEPFOABHZND-UHFFFAOYSA-N 354.328 2.483 0 40 FEAB CCc1c(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cnn1C 642566955 LTSPGBCYMTVRFL-UHFFFAOYSA-N 358.417 2.110 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)c1cccc(S(N)(=O)=O)c1 665503305 HKWFFBRTOWREDY-APPDUMDISA-N 362.426 2.380 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)n1 585105338 UJFDHTGGDSYSEH-HNNXBMFYSA-N 356.451 2.097 0 40 FEAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 585095813 NAIHIYPIXCYVGR-CQSZACIVSA-N 354.401 2.214 0 40 FEAB Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2ccc(C)o2)n1 585095001 YWNAVWWZATVJDY-HNNXBMFYSA-N 353.426 2.426 0 40 FEAB CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585106744 HBHDUMWVJLWCID-CPAJTMIGSA-N 366.465 2.301 0 40 FEAB COCCN(CC(F)F)C(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 78403188 AQYLYVIDQHRICF-UHFFFAOYSA-N 373.425 2.274 0 40 FEAB CCc1oc2ccccc2c1CN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 78788521 ZQXVGVODZFVKTI-LBPRGKRZSA-N 350.440 2.324 0 40 FEAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 92772270 FVOCQSVKYKMZGK-CQSZACIVSA-N 366.414 2.240 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCC1(c2cccs2)CCOCC1 38593358 BLDNCVPVNXHIMT-UHFFFAOYSA-N 356.469 2.380 0 40 FEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1ccnc2ccncc12 665648813 VYMRNDWHFYWXJR-IFXJQAMLSA-N 365.437 2.488 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)cc2n1 12221507 JSIRMINYPBEUFF-HNNXBMFYSA-N 366.425 2.323 0 40 FEAB C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sccc1C(N)=O 12259833 HJMHKVDVRXDLCM-ZETCQYMHSA-N 353.473 2.382 0 40 FEAB C[C@@H](C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1)c1ccccc1 19459339 NRKXEZBDUKNWTK-OAHLLOKOSA-N 352.438 2.002 0 40 FEAB CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn3ccccc3n2)C1 502496143 QXFKBAXEZOTSPT-WCQYABFASA-N 354.332 2.006 0 40 FEAB Cc1cc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1 239846203 KYYXOALATTZTHV-UHFFFAOYSA-N 355.320 2.191 0 40 FEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 16899981 BFHMTMGZFJYCKJ-LLVKDONJSA-N 372.240 2.377 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 10657292 JGQAOGVMMLMKAJ-UHFFFAOYSA-N 371.422 2.484 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 5224029 AGMXQYKTOYVBPF-KEYYUXOJSA-N 364.442 2.272 0 40 FEAB O=C1[C@@H]2CN(c3nc(C4CC4)ns3)C[C@H]2C(=O)N1Cc1ccccc1 1888856659 RSLHEPOJWPVBNT-ZIAGYGMSSA-N 354.435 2.037 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864185 KVJRQZUMCXOSTE-KRWDZBQOSA-N 370.453 2.403 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)NC[C@H]4CCCO4)CC3)ccc2n1 1888866490 RBWPVTXKYRJLMM-MRXNPFEDSA-N 373.457 2.017 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4sccc34)C[C@H]2C(=O)N1c1ccccc1 1888890321 XOWUCGFVTGCRFU-ZIAGYGMSSA-N 350.403 2.317 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 1889208816 IKYMVKDHIIWFKW-SFHVURJKSA-N 374.510 2.258 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)CC1 2037909202 CQVADIHYKVDSDT-NRFANRHFSA-N 374.481 2.068 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3OC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)CC1 2055719430 BGZLWPRXUALONZ-HUMVNOLHSA-N 357.454 2.320 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)CCC2=O)C1 1775968267 WBZVNLWROVFYQY-UHFFFAOYSA-N 355.316 2.318 0 40 FEAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ncnc21 2086896523 HXFKTMCHGFDVFV-CHWSQXEVSA-N 358.446 2.149 0 40 FEAB COCCNC(=O)Cc1csc(Nc2cc(OC)ccc2OC)n1 16850244 VJPXZCMIIBELBI-UHFFFAOYSA-N 351.428 2.209 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)s1 19216839 XENCVVGHVMLCSP-ZDUSSCGKSA-N 355.467 2.390 0 40 FEAB O=C(NC1CC1)c1ccccc1NC(=O)C1CCN(c2ncccn2)CC1 40130118 SDMSHSNUVXBNGB-UHFFFAOYSA-N 365.437 2.224 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)[nH]1 31371243 HSOFHHJHZJQGHY-AWEZNQCLSA-N 366.421 2.477 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3nc(C)cs3)c(=O)c2cc1OC 32103957 ZYRRQGVCYKQYJF-UHFFFAOYSA-N 374.422 2.207 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)n1 20918412 WKSIAWBDIMTFSA-FQEVSTJZSA-N 370.497 2.390 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(-n2ccnc2)cc1 102841975 YSRCFPUWCRPEIK-CALCHBBNSA-N 366.421 2.376 0 40 FEAB O=C(Nc1cccc(-c2nccs2)c1)N1C[C@H](O)[C@H](N2CCCC2)C1 72313615 CXYRAJXLGGKQHW-CVEARBPZSA-N 358.467 2.483 0 40 FEAB CCOC(=O)Cc1csc(SCn2nnc3ccccc3c2=O)n1 2643431 CINKKNJHTHOYAM-UHFFFAOYSA-N 362.436 2.103 0 40 FEAB O=C1O[C@H](C(=O)NCCc2cc(F)cc3c2OCOC3)Cc2ccccc21 52901213 JMYFUQBUEMOMRY-KRWDZBQOSA-N 371.364 2.133 0 40 FEAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 53023751 SFXOPQYDYAXVAC-LBPRGKRZSA-N 361.348 2.038 0 40 FEAB O=S(=O)(NCc1nc(Cc2ccccc2)no1)c1ccc2c(c1)CCO2 78710588 RXXHCASXAGQNIQ-UHFFFAOYSA-N 371.418 2.074 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)N[C@@H](c2n[nH]c(C)n2)C(C)C)n1 79017855 CIQACGVFCTWZME-GFCCVEGCSA-N 366.447 2.194 0 40 FEAB CCCCS(=O)(=O)NC(=O)Cc1cc(Br)ccc1OC 72305061 JLUFLENZOUFMJJ-UHFFFAOYSA-N 364.261 2.246 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3311599 PHIVQMNSQNDMDW-JTQLQIEISA-N 358.268 2.478 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C(=O)O)[C@@H]2CO)ccc1O 4769475 MAEVGGSLCDAPGW-BIENJYKASA-N 374.389 2.112 0 40 FEAB NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@@H]1S(=O)(=O)O 4830887 KELUDJZPQUODBE-KRWDZBQOSA-N 358.419 2.047 0 40 FEAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccccc1F 6544993 YMGJYCQNKBWFAK-GFCCVEGCSA-N 369.352 2.106 0 40 FEAB O=C1NCCCC[C@@H]1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 47212268 VXOBCWJXVHMWDR-HNNXBMFYSA-N 358.438 2.055 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 10017676 LXIHXPKNOVKNCO-UHFFFAOYSA-N 365.433 2.194 0 40 FEAB CCn1c(C)cc(C(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)c1C 58434337 OEBFWUXUSCNAPO-UHFFFAOYSA-N 358.442 2.456 0 40 FEAB Cn1cc(C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cn1 55328416 QSLIVTIPJOVQEV-UHFFFAOYSA-N 361.833 2.500 0 40 FEAB O=C1CN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CCN1 24969914 HIWDZNDAGWOXRH-UHFFFAOYSA-N 370.796 2.358 0 40 FEAB COc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1C 55651030 VVAYUJHKOUVBPQ-UHFFFAOYSA-N 351.380 2.233 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 25423808 GVKVOUKDSNWZBU-OAHLLOKOSA-N 372.421 2.004 0 40 FEAB COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]43 100017432 ZTHVHELPCLGXHF-YSWGJGOXSA-N 364.445 2.101 0 40 FEAB in-vitro Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)/C=C/c2ccc(C)o2)c1 25727389 FPMOLPACTPLHTI-CMDGGOBGSA-N 362.451 2.313 0 40 FEAB O=S(=O)(Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 55259451 WWDWJEISGHWTDW-UHFFFAOYSA-N 360.479 2.138 0 40 FEAB CCC[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)O 35686284 XVENMZYTNOZWKE-CQSZACIVSA-N 361.394 2.412 0 40 FEAB Cn1c(CNC(=O)CN2C(=O)CCOc3ccccc32)nc2ccccc21 12785727 CTJLTUIVJGIAFU-UHFFFAOYSA-N 364.405 2.005 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 58245705 NOZXTICFNFAALC-OAHLLOKOSA-N 369.421 2.489 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2c(S)nc(C[C@@H]3C[C@H]4CC[C@H]3C4)nc21 101266663 AOZDGYAUXZAFJW-SRVKXCTJSA-N 360.483 2.403 0 40 FEAB Cn1c(Cl)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 2323141 KGYZAGQSGJXVCS-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB COc1cc(OC)cc([C@@H](NC(=O)c2cc(C)no2)c2nccn2C)c1 29131228 SRMMDWRHJIPKQK-MRXNPFEDSA-N 356.382 2.253 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccco3)CC2)cc1C 3446060 ZNURGLVXGHSJRF-SOFGYWHQSA-N 374.462 2.443 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859138 HLPWLINRRWMYGI-IOASZLSFSA-N 365.311 2.186 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCc3nnc(-c4ccccc4)o3)nc2n1 3531737 FBAYWBZUPOVDQB-UHFFFAOYSA-N 350.338 2.148 0 40 FEAB COC(=O)C1CCN(C(=O)CSc2nc3ccccc3nc2C)CC1 12935579 OLCPDTYITRXEAY-UHFFFAOYSA-N 359.451 2.442 0 40 FEAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC2(CC1)OCCO2 12914843 GWYBAUPXALXSOU-UHFFFAOYSA-N 371.437 2.410 0 40 FEAB CC(C)(C)c1noc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 13002378 ZCTCWSJIKZIPQW-UHFFFAOYSA-N 372.425 2.054 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nccs2)ccc1OC 13073821 VVDDOIUWKGLHCS-UHFFFAOYSA-N 369.468 2.435 0 40 FEAB Cc1sc2ncn(CC(=O)N3CC(=O)Nc4ccccc43)c(=O)c2c1C 6110938 YUHWRBFAQLRVBE-UHFFFAOYSA-N 368.418 2.060 0 40 FEAB CN(CC(=O)NCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 22358517 WZXPNNCCJWCJFK-UHFFFAOYSA-N 370.840 2.325 0 40 FEAB NC(=S)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 4476911 UWONDNDOKSNSSD-SNVBAGLBSA-N 368.178 2.353 0 40 FEAB COc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1F 14125411 UGGQQPHNRMLBEY-UHFFFAOYSA-N 360.370 2.304 0 40 FEAB C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2S1 14140306 IKSPAHDMJMEEKH-GFCCVEGCSA-N 369.450 2.048 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 14105142 OEGGKIGZZIKTFH-UHFFFAOYSA-N 354.284 2.292 0 40 FEAB CNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 14239665 WUBWAIUHRGGQPO-UHFFFAOYSA-N 352.369 2.154 0 40 FEAB COc1cc(NC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC 5577413 VMNPMIOHQLLEBA-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB C[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)N1CCc2ccccc21 4884249 QEXNWLNCEQTMJE-ZDUSSCGKSA-N 366.373 2.116 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 66948609 HXJPAUZEQJGWGK-RTBURBONSA-N 357.498 2.020 0 40 FEAB C[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 6938640 SFXQDLYUOBMHBB-CYBMUJFWSA-N 370.380 2.077 0 40 FEAB COc1ccc(C(=O)NC2CCC(C)CC2)cc1S(=O)(=O)N(C)C 15949319 PEOLPXXJTYXKSL-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(F)cc2)no1 7654567 GNBWSBXHRQGTCL-UHFFFAOYSA-N 359.338 2.220 0 40 FEAB CCc1ccc(-c2nc(C)c(C(=O)OCc3nc(N)nc(N)n3)s2)cc1 7722402 OTIAFIAVJOBYMY-UHFFFAOYSA-N 370.438 2.387 0 40 FEAB O=C(C1CC1)N1C[C@H](c2nccs2)[C@]2(CCN(CC3CCC3)C2=O)C1 306133208 MFFRKIGWHUZPIO-BEFAXECRSA-N 359.495 2.498 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cc3ccccc3o2)C1=O 7774670 IDRJSZGNOMGJFF-GFCCVEGCSA-N 371.393 2.057 0 40 FEAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 7983950 OXHDUJVCHMGWOF-GFCCVEGCSA-N 374.890 2.278 0 40 FEAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8073525 JWIHOFLWGDHQHH-NBUZRDOWSA-N 366.820 2.342 0 40 FEAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8327333 CCRNLOGYKWGTAI-AQDCRGGLSA-N 374.404 2.143 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 9515688 GSOSHQQCMAQRFO-IBGZPJMESA-N 353.466 2.452 0 40 FEAB COc1cc(CCC(=O)Nn2cnc3ccccc3c2=O)cc(OC)c1 18183031 VMQWGPPQBWGFLR-UHFFFAOYSA-N 353.378 2.117 0 40 FEAB Cn1cc(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)c2ccccc21 95453984 OCJGYYLXWLYFGQ-MRXNPFEDSA-N 366.421 2.479 0 40 FEAB O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 306125030 CFARSWXRIPCXLJ-XLIONFOSSA-N 369.444 2.281 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCC)c(C)c1 408625293 RTQKMSBRBBZUBI-CQSZACIVSA-N 356.488 2.367 0 40 FEAB Cc1nc(O)c(Br)cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 515293555 RFIOTAQGPOKZGM-SNVBAGLBSA-N 368.275 2.414 0 40 FEAB NS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 531169082 YOQDXEYGGLOQGE-KCQAQPDRSA-N 374.466 2.142 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980209 RVCKLFONACZHHX-CQSZACIVSA-N 352.818 2.078 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCN2C(C)=O 32202801 UTTUEJZCWVJBCT-SFHVURJKSA-N 366.417 2.110 0 40 FEAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72379188 ZTYGDSNRZIXUAH-HNNXBMFYSA-N 363.487 2.334 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1 70967802 PROIXPQRSXYWIA-LJQANCHMSA-N 359.447 2.465 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1 32471690 VFOUDSASAQUAJH-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1 85221408 KSIMNTLSPRRBQO-RYUDHWBXSA-N 363.849 2.128 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCC[C@@H](C)C2)n1 225900060 ZLNYIJJPOLNHKT-GFCCVEGCSA-N 353.492 2.044 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 195528633 TVEPOLWCTGHBLN-KKUMJFAQSA-N 363.458 2.483 0 40 FEAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223320262 HXAXVPKQCXNJMO-UHFFFAOYSA-N 361.379 2.189 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1C 224274150 AHUQFXZSJJTIQD-UHFFFAOYSA-N 362.455 2.039 0 40 FEAB O=c1cc(Cn2ccnc2)nc2n1CCCN(Cc1ccc(F)cc1)C2 96059601 ZIPPZEGKFQKHEQ-UHFFFAOYSA-N 353.401 2.033 0 40 FEAB CCN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 96301207 XASQARINWRETJM-ZDUSSCGKSA-N 356.253 2.263 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccc(F)cc1 96181676 YMFGEXMECKSTSH-ROUUACIJSA-N 360.360 2.180 0 40 FEAB Cc1cc(CN2Cc3cncn3[C@H](C(=O)NCCc3cccs3)C2)no1 247939238 UBDAHAFMNJOSPX-KRWDZBQOSA-N 371.466 2.157 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CN(Cc2sccc2C)Cc2ccnn21 253599907 WYJMVNADNYRJEJ-HNNXBMFYSA-N 368.528 2.139 0 40 FEAB Cn1cnc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)c1 257298600 RMKKYDSJJFYTSL-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257263890 LRWXMMWILRZVOG-APWZRJJASA-N 357.385 2.458 0 40 FEAB Cc1oc(C(C)C)cc1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 671769704 QMRQWQFVHYZIQG-PYTWLRIVSA-N 356.422 2.248 0 40 FEAB COc1cccc([C@H](CO)NC(=O)c2cnn(C)c2Cc2ccccc2)c1 683565904 LKVIRLQWBNJBIU-IBGZPJMESA-N 365.433 2.483 0 40 FEAB COc1c[nH]c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1=O 604418583 ADXHRDHNXJZTBV-UHFFFAOYSA-N 362.813 2.161 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 298595943 YXGYSRRGFXNPKG-NSHDSACASA-N 370.471 2.442 0 40 FEAB CCS(=O)(=O)C1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1 614062406 KKSFGGSPSBUPMM-UHFFFAOYSA-N 350.484 2.326 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@@H](C(F)(F)F)[C@@H]3C)cc2=O)cc1 619258739 MWELKIYJZACGRR-XHDPSFHLSA-N 369.343 2.266 0 40 FEAB O=C(O)COc1cccc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)c1 659761156 WUZASJJTDPOOKI-FUHWJXTLSA-N 356.378 2.195 0 40 FEAB CCC(=O)N1CC[C@H](NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1 660909584 WUCUTOWNDIFWDW-GXFFZTMASA-N 374.268 2.337 0 40 FEAB Cc1ncsc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1147378981 JHNRAOZAGGEOLU-UHFFFAOYSA-N 371.462 2.490 0 40 FEAB c1cc(CNCc2ccnc(N3CCOCC3)c2)c2c(c1)OCCCO2 48711249 FWTRWEQKBDNKLM-UHFFFAOYSA-N 355.438 2.369 0 40 FEAB Cc1ccccc1CN1CCC(NS(=O)(=O)N2CCCCC2)CC1 56093725 JOAXKTPKZZFLGT-UHFFFAOYSA-N 351.516 2.280 0 40 FEAB CC(C)Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2 1547200987 FWLGFUUZLBHGCM-UHFFFAOYSA-N 351.204 2.452 0 40 FEAB Cn1cccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 6120595 JDZGPYONPQENEA-ZHACJKMWSA-N 363.373 2.086 0 40 FEAB CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1 5151416 WROONBLTFFNPBO-UHFFFAOYSA-N 359.389 2.437 0 40 FEAB Cc1noc(C)c1-c1nc(N2CCC[C@@H](O)C2)ncc1-c1cnccn1 12155796 VKJVOQUFPKQLEX-CYBMUJFWSA-N 352.398 2.167 0 40 FEAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCC[C@H]3C)c(=O)n12 12181616 VGLQZAXVURAPRR-CQSZACIVSA-N 368.437 2.367 0 40 FEAB Cc1ccc(NC(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)cc1F 13700454 QZURVCGQLGEHIP-UHFFFAOYSA-N 369.404 2.234 0 40 FEAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 17073020 CQOMPMHRBZRFRW-OHFALNGGSA-N 352.394 2.178 0 40 FEAB Cc1nccn1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1 19288064 SFHWBEPWLRMMMG-UHFFFAOYSA-N 362.393 2.496 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)C(C)C)CC2)cc(C)n1 19698274 RMKOBPOGGVWHGI-LJQANCHMSA-N 358.486 2.378 0 40 FEAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCOC2(CCC2)C1 644413070 YJBRWZCPBNINOJ-FQEVSTJZSA-N 358.482 2.185 0 40 FEAB O=C(CCCc1ccncc1)N1CCc2nc3ccsc3c(=O)n2CC1 13268200 XMKKMOVIFCGVNU-UHFFFAOYSA-N 368.462 2.261 0 40 FEAB COc1ccc(CNC(=O)N2CCC(N(C)c3ccncn3)CC2)cc1 1888870277 YFHKCBPLPDMEAK-UHFFFAOYSA-N 355.442 2.296 0 40 FEAB O=C1COc2cc(C(=O)NCc3ccc(Cn4cccn4)cc3)ccc2N1 16302341 MTPCKULXCGCYRY-UHFFFAOYSA-N 362.389 2.192 0 40 FEAB CCCOc1c(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cccc1OC 2037984321 XLUWIHSQXNDOFV-IRXDYDNUSA-N 362.470 2.163 0 40 FEAB CC1CC(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)C1 1565551670 JKKFCYMTTRSMJL-SVGDTCPJSA-N 356.426 2.204 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 17877325 AIKZXBZYDCCSFU-INIZCTEOSA-N 373.453 2.180 0 40 FEAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1ccc2nccnc2c1 1775976961 FIDXBUCMBABZNW-UHFFFAOYSA-N 362.418 2.253 0 40 FEAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccccc3C(F)(F)F)C2)n1 585603283 NDCOHNYVQPDMLQ-UHFFFAOYSA-N 351.328 2.343 0 40 FEAB O=C(C1CCN(CCc2ccc3c(c2)CCO3)CC1)N1CCSCC1 2298048653 UQPXWWAMDJXQSW-UHFFFAOYSA-N 360.523 2.451 0 40 FEAB CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(C)ccc21 11634947 PYQAJBNCMQBRND-MSUUIHNZSA-N 366.464 2.281 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2c2ccccc2)=NN1c1ccccc1 40062076 YLQDGFQJHJGWAE-OALUTQOASA-N 362.433 2.470 0 40 FEAB CCOC(=O)N[C@](NCc1ccc(F)cc1)(C(=O)OCC)C(F)(F)F 20065398 OVBAYXBIVLURDY-CQSZACIVSA-N 366.311 2.483 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 40145388 KQCPOWOIELUTAB-HNNXBMFYSA-N 359.430 2.227 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccccc1CN(C)C 40120605 YTPVTUZELQNALF-UHFFFAOYSA-N 365.441 2.354 0 40 FEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 40135688 LFRJIDRXGURCIZ-ZBFHGGJFSA-N 373.497 2.216 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 31712148 HFKGCAJNZMMITP-ZJUUUORDSA-N 353.362 2.235 0 40 FEAB CC(=O)N1CCC(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 32781082 RSYMFDOJWUOMAB-LJQANCHMSA-N 355.438 2.078 0 40 FEAB O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cnccn1 47194273 WQAYSIMGFFDSOQ-UHFFFAOYSA-N 350.378 2.259 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCCC(=O)NCc3ccco3)cc12 12390373 WAWOGUDBCVFSTB-UHFFFAOYSA-N 371.393 2.214 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1 4503631 UVMTVQUQYLXRQE-UHFFFAOYSA-N 368.418 2.331 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 7801154 BEZHMVAQCUQGCJ-CQSZACIVSA-N 356.378 2.362 0 40 FEAB Cc1ccc([C@@](O)(CCNC(=O)Cc2c(C)nn(C)c2C)C(F)(F)F)o1 47474140 ZBRBSMKFJRDOLS-INIZCTEOSA-N 373.375 2.437 0 40 FEAB CSc1ncc(C(=O)NCCC(=O)N2CCCC2)n1-c1ccccc1 9115867 CBJWLGGHXYSQMD-UHFFFAOYSA-N 358.467 2.337 0 40 FEAB COCCN1C(=O)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C 9498589 GOWJCZXKGBTMNC-AWEZNQCLSA-N 370.352 2.448 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1 55277941 GFYSYTKYWMMPFF-KRWDZBQOSA-N 364.442 2.342 0 40 FEAB Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Cl)cc1 59795041 MBBHFUNTBLOHJR-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccsc2)N(C)C)C1=O 25331732 HNQCHDPVVMODHL-CJNGLKHVSA-N 373.478 2.281 0 40 FEAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cnn(C)c1 26340363 QIDRTMZBGOWTDX-UHFFFAOYSA-N 359.817 2.362 0 40 FEAB CCCN(CC)c1ccc(C(=O)NCCCN(C)S(=O)(=O)CC)cc1 58066392 FAYDYLIYLGEUTP-UHFFFAOYSA-N 369.531 2.324 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 22392877 ITXJPJUZPABBGZ-UHFFFAOYSA-N 352.437 2.021 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(=O)[nH]c2ccccc12 10257267 GPMULGGYKPEFDM-UHFFFAOYSA-N 350.374 2.272 0 40 FEAB CC(C)[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@H](C)O[C@H](C)C1 58203364 ZBTVJBVJVKUMMH-FCEWJHQRSA-N 371.485 2.017 0 40 FEAB CC(C)(C)c1ccc(OCCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 58263029 INSOAKXTEXZBEY-OAHLLOKOSA-N 353.484 2.446 0 40 FEAB CCC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 48291350 OBIPVMCROXKOMZ-UHFFFAOYSA-N 352.438 2.388 0 40 FEAB C/C(=C/C(=O)NC1CCN(CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 58357717 TYTQUXXKAVCLLE-BENRWUELSA-N 369.387 2.175 0 40 FEAB O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NCc1ccccc1 59740757 NBEUJTYLEJISQA-UHFFFAOYSA-N 351.328 2.456 0 40 FEAB CC(=O)N1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 45531205 JXHPRNRHIRMZFA-UHFFFAOYSA-N 352.438 2.490 0 40 FEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(-n2cccn2)cc1 11529623 YWBWTMKBEDJXSV-UHFFFAOYSA-N 364.405 2.500 0 40 FEAB O=C(NCCN1CCOCC1)c1ccccc1C(=O)c1ccc(F)cc1 29568641 FHPGJXKTJIATJF-UHFFFAOYSA-N 356.397 2.119 0 40 FEAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC[C@@H](C(F)(F)F)C1 48309491 IYYOVRLHVHYGKS-KGLIPLIRSA-N 353.348 2.258 0 40 FEAB CC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1)C1CCCC1 12838124 MUMVFQSABJJMGW-ZUZCIYMTSA-N 367.833 2.300 0 40 FEAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(F)c1 12896798 USOLVZDANHMVOX-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB Cc1cccc(-c2nc3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3n2)c1 3637440 CHRILNRIKBUQBP-NXVVXOECSA-N 374.425 2.021 0 40 FEAB CCOC(=O)Cc1nc(CCNc2ccc(Br)cc2)n[nH]1 64873687 XRKQVZDBKWCYKJ-UHFFFAOYSA-N 353.220 2.327 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCCCC2)Oc2ccc(Cl)cc21 38832715 IHYQDRDJECNBTD-OAHLLOKOSA-N 372.874 2.270 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2c(C)c(O)ccc12 4064912 SXMNRLQIXOVXCY-AWEZNQCLSA-N 359.378 2.124 0 40 FEAB biogenic COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 8844926 ZSMBJJICFHLOSY-FQEVSTJZSA-N 367.405 2.409 0 40 FEAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 8748428 GOAGKNLDWXPQRI-LBPRGKRZSA-N 367.434 2.486 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccsc3)n2)c1C 8748108 ZGXPYIRFESXYQH-UHFFFAOYSA-N 359.411 2.406 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14137910 LSMPBHMMMISVDM-CYBMUJFWSA-N 350.465 2.378 0 40 FEAB O=C1N[C@H](c2ccccn2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 5572602 GYLRWBUJBMENNA-WDMOLILDSA-N 371.340 2.247 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(O)CC3)c(Cl)cc12 6759571 ORGXBSJQWJWAPM-UHFFFAOYSA-N 351.786 2.117 0 40 FEAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9089890 DHXJRLTWFHHSGX-FQEVSTJZSA-N 351.406 2.305 0 40 FEAB CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2ccccc2n1 7196303 VQEGLQXFTFFYQE-KRWDZBQOSA-N 370.405 2.336 0 40 FEAB CC(C)=CC(=O)OCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 7651281 PUWLRAQPZLSNMF-AWEZNQCLSA-N 353.440 2.157 0 40 FEAB CC[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cc(C)on1 16811244 VBJPSRZTNRBSFA-CYBMUJFWSA-N 373.438 2.426 0 40 FEAB C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1nncn1C 84714587 MBFDFDVKADJVMK-RYRKJORJSA-N 370.501 2.428 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCc1ccncc1 95454724 OFBFGHHSPIAEDT-KRWDZBQOSA-N 368.481 2.420 0 40 FEAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1=Cc2ccccc2CC1 97015126 QDVVPPODFWTJFR-MRXNPFEDSA-N 374.466 2.166 0 40 FEAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2cccnc2)n2nnnc2N3)cc1 111999799 HBOCNEQETSIAOY-MRXNPFEDSA-N 358.365 2.234 0 40 FEAB Cc1noc(C23CC(CN2c2nc(O)c4cnn(C(C)(C)C)c4n2)C3)n1 528121782 CMDKJSHQJLJFSO-UHFFFAOYSA-N 355.402 2.104 0 40 FEAB COc1cccc([C@H](CC(=O)O)NC(=O)c2cnc3cc(C)nn3c2C)c1 532603178 QAZDBQHDJDPVJZ-INIZCTEOSA-N 368.393 2.301 0 40 FEAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CCc4nnn(C)c4C3)cc2)c1C 565279198 DAZJWDCZAITZQE-AWEZNQCLSA-N 350.426 2.361 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)O)cc1 218593630 KTHITLFOFMQOCQ-INMHGKMJSA-N 365.838 2.370 0 40 FEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(Cn3cccn3)CC2)c1 563931781 WZKVBYDENKJRLZ-UHFFFAOYSA-N 350.426 2.325 0 40 FEAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)Cc1ccccc1F 225204967 QXDVHERZCARTNR-UHFFFAOYSA-N 356.463 2.284 0 40 FEAB O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1cccc2cccnc12 62132234 DKRMNTGEQBBGKC-INIZCTEOSA-N 353.353 2.162 0 40 FEAB COc1cncc(O[C@H]2CCCN(C(=O)COCc3ccccc3)C2)n1 225500280 YMGNTBXSWIYNDA-INIZCTEOSA-N 357.410 2.072 0 40 FEAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCOC[C@H]1c1ccccc1 329618336 SWBPRSJFZCNNFN-MSOLQXFVSA-N 354.406 2.463 0 40 FEAB COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccccc3F)C2)O1 96207267 ZJWXVTYPDWPUBW-VQIMIIECSA-N 350.434 2.102 0 40 FEAB Cc1nc(CO[C@@H]2CO[C@@]3(CCN(C(=O)N4CCCC4)C3)C2)cs1 96107631 KHUKJWUZNDIFNB-RDJZCZTQSA-N 351.472 2.417 0 40 FEAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1c[nH]c2ccccc12 95478353 APMSNCJXEKZZPL-UHFFFAOYSA-N 350.353 2.447 0 40 FEAB COCC[C@H]1COCCN1C(=O)c1ccc2c(c1)nc(C(F)F)n2C 332583447 JXXYACRLICDKKH-LBPRGKRZSA-N 353.369 2.388 0 40 FEAB Cc1ccnc(-n2nccc2NC(=O)N2CC[S@](=O)C(C)(C)CC2)c1 333902565 TWRJUQCQESTZED-VWLOTQADSA-N 361.471 2.341 0 40 FEAB COC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)N1S(C)(=O)=O 96218615 YTYFSXISCABKMR-QGZVFWFLSA-N 352.500 2.092 0 40 FEAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)s1 332162656 TZGXSPZTASXXML-QMTHXVAHSA-N 365.480 2.232 0 40 FEAB C[C@H](C(=O)OCCOc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245265357 GJUFUMATMXMCHO-MGPQQGTHSA-N 361.369 2.087 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 245333849 BHNLYGBJMNKDTM-UWGWQUPMSA-N 353.418 2.442 0 40 FEAB CS[C@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@H]1N(C)C 543903111 NIUSDGOVJAIGIT-KGLIPLIRSA-N 360.512 2.335 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cncc(O)c3)CC[C@H]21 257205601 AZULPGFVRHMBFB-VAMGGRTRSA-N 365.433 2.264 0 40 FEAB CN(C)CC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 257283047 OWOKXCLCQFNLQK-LJQANCHMSA-N 357.429 2.273 0 40 FEAB CCOC(=O)[C@@H]1CCCN(c2ccc(-c3cnn(CCOC)c3)cn2)C1 600795548 ZAQQPYZAJKZQCK-MRXNPFEDSA-N 358.442 2.371 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 1629581305 PJWHSEGNMCIUKY-UHFFFAOYSA-N 365.315 2.077 0 40 FEAB C[C@@H](C(=O)Nc1ccc(CN(C)C)c(Cl)c1)n1cnc2c(N)ncnc21 614283096 YEXOWEFRVUVAOX-JTQLQIEISA-N 373.848 2.323 0 40 FEAB C[C@@H](CNC(=O)c1cccn2ncc(Br)c12)c1ncon1 1639144335 KZBQKWWHFLNPLA-QMMMGPOBSA-N 350.176 2.013 0 40 FEAB Nc1ncc2c(n1)CN(C(=O)CCc1ccc(Br)cc1)CC2 623325253 BHPNOPMACZUJFN-UHFFFAOYSA-N 361.243 2.339 0 40 FEAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cccc(-n3ccnn3)c2)C1 626448325 WRDJMOMMVYIKCL-OKZBNKHCSA-N 370.457 2.031 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)c1 659120954 ZWMLZWFSHHMEFM-UHFFFAOYSA-N 352.412 2.032 0 40 FEAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2ncc(C(=O)O)cc2Cl)C1 647455171 PRJCIQBVVVGYJO-PWSUYJOCSA-N 363.805 2.395 0 40 FEAB CC1(C)C[C@@]1(C(=O)O)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 663108192 OYAXUFHSTJQCIN-FQEVSTJZSA-N 367.405 2.451 0 40 FEAB CN1CCN(C(=O)c2cccnn2)C[C@@H](Cc2cccc3cccnc23)C1 585182509 UIJOUNHONNYTAG-INIZCTEOSA-N 361.449 2.271 0 40 FEAB NS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H]2c2cccs2)c1 47033763 GPWPJKURXQFCNI-AWEZNQCLSA-N 365.480 2.442 0 40 FEAB COc1nccnc1N(C)CC1CCN(C(=O)c2ccncc2F)CC1 1776009895 XQKHOMCGANQIEU-UHFFFAOYSA-N 359.405 2.008 0 40 FEAB CCS[C@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 78649627 ZFKSUBIXKMKFRJ-DOTOQJQBSA-N 374.510 2.241 0 40 FEAB O=C(c1cncc(F)c1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974881 VGMBLUOPZKNLLF-UHFFFAOYSA-N 368.343 2.281 0 40 FEAB COCCOC(=O)NC(=S)Nc1ccc2c(c1)N(C(C)=O)[C@H](C)C2 5336098 YLCCLAPQQNMZNG-SNVBAGLBSA-N 351.428 2.054 0 40 FEAB CC(C)CN[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440611 JJHGOAPMFSPNSQ-INDMIFKZSA-N 372.444 2.475 0 40 FEAB biogenic,in-vitro O=C1NC(=O)C(CCOc2ccccc2)(CCc2ccccc2)C(=O)N1 5851777 GUSYDJHMDHKRFC-UHFFFAOYSA-N 352.390 2.441 0 40 FEAB O=C(N1CCOCC1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088529 BUNQTTDDUXGJOU-INIZCTEOSA-N 353.426 2.170 0 40 FEAB O=C(NCCCN1CCOCC1)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565962 RBEPVKXZSJRABM-UHFFFAOYSA-N 364.833 2.025 0 40 FEAB COc1cccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 13613218 GJOLOEMIUFFCOF-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 19344583 KTULDRGIOGFMCL-HXUWFJFHSA-N 370.474 2.451 0 40 FEAB O=C(CN1CCC(Oc2cnccn2)CC1)N1CCCc2ccccc21 19659174 RWPRIEOXUSOHNJ-UHFFFAOYSA-N 352.438 2.299 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4cccc(C)c4)CC3)n2CC1 19709441 INIQWCFJUXJDMY-UHFFFAOYSA-N 367.497 2.371 0 40 FEAB Cc1cc(C)n(-c2cc(NCc3ccnc(N4CCOCC4)c3)ncn2)n1 1888897213 QZTOCKFBXGMXJH-UHFFFAOYSA-N 365.441 2.123 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCN1CCCC1=O 20896460 BPMCVHNQKDAXEH-UHFFFAOYSA-N 354.454 2.291 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 23270646 QSTICZBBQPSWKO-HNNXBMFYSA-N 357.454 2.379 0 40 FEAB CCc1cnc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)nc1 2086964128 XTYFEJZJIOCHIR-HZPDHXFCSA-N 350.470 2.199 0 40 FEAB CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1CCOC1)C2 1565555898 IYFUHNFKLREKSX-HNNXBMFYSA-N 355.438 2.228 0 40 FEAB CCc1ccc(NC(=O)c2c[nH]c(=O)n(-c3cccc(OC)c3)c2=O)cc1 2973285 SVTWUNLLNADXJD-UHFFFAOYSA-N 365.389 2.349 0 40 FEAB C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccon3)CCCC2)s1 225684905 MFVLIWHAEQGLOI-LLVKDONJSA-N 363.439 2.356 0 40 FEAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 43956874 RZRKPFZOLFJDML-UHFFFAOYSA-N 366.483 2.322 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCc2nc(C3CCNCC3)ncc2C1 19333390 FXLOYSNZXUJEGU-UHFFFAOYSA-N 354.429 2.210 0 40 FEAB CN1C(=O)N(C[C@@H](O)COc2ccc(F)cc2)C(=O)C12CCCCC2 24098463 QQZGJNYHIZRFMB-CQSZACIVSA-N 350.390 2.162 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cc(-n3cnnn3)ccc2C)n1 40120597 BODNWJFKSJLNSV-GFCCVEGCSA-N 368.445 2.242 0 40 FEAB CCN(CC)CCn1cc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cn1 40158647 XUZNHDKEYWDTOD-SFHVURJKSA-N 359.474 2.388 0 40 FEAB C[C@H](C(=O)NC(=O)NC(C)(C)C)n1nnc(-c2ccc(Cl)cc2)n1 31653229 FQVTZOOTGNVDKN-SECBINFHSA-N 350.810 2.179 0 40 FEAB O=C1[C@H]2ON=C(c3cccnc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 101359207 AQJDONKHRHTKHS-JSGCOSHPSA-N 372.178 2.137 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)OCCO3)c1 32966472 FDBDDXNELFNTSQ-UHFFFAOYSA-N 356.378 2.177 0 40 FEAB COc1cc(OC)c2[nH]c(C(=O)NCC(C)(C)N3CCOCC3)cc2c1 32906225 SVBCPNRCLSUYTB-UHFFFAOYSA-N 361.442 2.026 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c[nH]1 32901917 CQIQPSYMCZGNGL-AWEZNQCLSA-N 370.390 2.016 0 40 FEAB CC(=O)NCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 53140557 VASYUTDZOMGEKN-QGZVFWFLSA-N 363.508 2.009 0 40 FEAB C[C@H](CC(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCCC1 78553891 VDBHQSOHSNCWDW-CQSZACIVSA-N 362.561 2.088 0 40 FEAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 79094446 YRTNAIXISYEEIF-LLVKDONJSA-N 370.471 2.426 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4133558 FEUZNOOIGPUVLZ-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)C1 53551990 OCZOHNKJEHOGFJ-INIZCTEOSA-N 374.441 2.321 0 40 FEAB COc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F 47031734 CMHNHMGRKXSXSZ-UHFFFAOYSA-N 374.340 2.030 0 40 FEAB O=C1O[C@H](NC(=O)c2ccccc2)C(NC(=O)c2ccccc2)=C1Cl 827846 KOCHVPJAMYPNMM-KRWDZBQOSA-N 356.765 2.180 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CCCN(c2ncccn2)C1 47100986 ARJMAGODAZHRJY-AWEZNQCLSA-N 355.398 2.038 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 57975422 KJEMOHSRBWUDPU-UHFFFAOYSA-N 351.410 2.009 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCCc2ccccc21 23702125 VSGPWIBNGHXCJF-LJQANCHMSA-N 350.466 2.397 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-n4ccnc4)nc3)cn2)n1 47217087 PUZRDCLIKMYJCM-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB COc1ccc(-c2nc(COC(=O)CNC(=O)c3cccs3)no2)cc1 24044973 AAMGCZFGVGRQFC-UHFFFAOYSA-N 373.390 2.280 0 40 FEAB COC(=O)CN(Cc1ccccc1)C(=O)[C@@H](C)NC(=O)c1cccs1 47418518 SJYNACMPZRDVRW-CYBMUJFWSA-N 360.435 2.068 0 40 FEAB C[C@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1 24763803 NWRZQEQWKXBYGD-CVEARBPZSA-N 354.454 2.284 0 40 FEAB COc1cc(CCC(=O)NC2CCN(C(=O)C(C)C)CC2)cc(OC)c1 25288865 PVVJNMFSWKOUKZ-UHFFFAOYSA-N 362.470 2.400 0 40 FEAB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)Nc2nnnn21 1438447 CLEPHTRMWURHCK-OAHLLOKOSA-N 361.361 2.107 0 40 FEAB O=C(NC[C@@H]1COCCO1)c1nc(-c2ccccc2)n2c1CCCCC2 55847369 VDLDVJYPUQQWKU-MRXNPFEDSA-N 355.438 2.422 0 40 FEAB CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 56104112 YPUKKGYLYGIVNC-NSHDSACASA-N 353.419 2.035 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1CN(Cc2ccccc2)CCO1 26231903 SQKVXILKCJPYJX-RDPWEWGOSA-N 372.490 2.478 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(=O)[nH]1 26951644 IHBYUNRHURNWEC-CQSZACIVSA-N 371.412 2.109 0 40 FEAB O=C(CN1CCSC1=O)Nc1ccccc1C(=O)NCC(F)(F)F 27405065 GZSZXNMPJGCXMJ-UHFFFAOYSA-N 361.345 2.086 0 40 FEAB C[C@@]12C[C@H](c3ccccc3O1)n1c(s/c(=C\c3cccc(O)c3)c1=O)=N2 102450065 IVAZWLLTTJQLBN-DCPLBHPDSA-N 364.426 2.166 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1ccc(F)cc1 10898722 UNNFYVZMWZXRCL-UHFFFAOYSA-N 366.396 2.400 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1F 57648643 IGWCKAAIJZULCD-UHFFFAOYSA-N 369.400 2.455 0 40 FEAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1 36744391 JHQSEJFSAFVAIX-GFCCVEGCSA-N 365.455 2.217 0 40 FEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCC(=O)Nc1ccccn1 45828988 AATPUDFRWQOIHS-AWEZNQCLSA-N 370.434 2.030 0 40 FEAB COc1ccccc1N(CCCC(=O)Nc1cccnc1)S(C)(=O)=O 113968476 LQCFEFQOFPKXQC-UHFFFAOYSA-N 363.439 2.275 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)NCCCc1nc2ccccc2[nH]1 11752743 DFTGSFWTTUTMOG-UHFFFAOYSA-N 367.434 2.083 0 40 FEAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20488315 CSJRTQZQBRQOFG-AWEZNQCLSA-N 353.488 2.267 0 40 FEAB CC(C)(C)C(=O)OCn1cnc(CCN2C(=O)c3ccccc3C2=O)c1 60111456 WMEZLVWYXGDUJL-UHFFFAOYSA-N 355.394 2.269 0 40 FEAB CN(CCNS(=O)(=O)c1cccc(F)c1F)C(=O)OC(C)(C)C 60381484 RWSQCTILIONVPP-UHFFFAOYSA-N 350.387 2.110 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnc(-c4ccncc4)o3)cc2N1 12864103 UTBGIVGLJIDNRY-UHFFFAOYSA-N 368.374 2.438 0 40 FEAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(Cl)cn1 3408685 SFBFTLZTOKCGFY-SECBINFHSA-N 362.773 2.410 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 3436892 MZVKOXLVRLYYKM-LLVKDONJSA-N 371.345 2.371 0 40 FEAB O=C(c1ccc(F)cc1F)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 3419957 YWPOZHIVXFKYRM-GFCCVEGCSA-N 355.362 2.387 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2 12919831 CNNCCVLFTWJQER-UHFFFAOYSA-N 364.833 2.380 0 40 FEAB CC1CCN(S(=O)(=O)NCc2ccc(NC(=O)C(C)C)cc2)CC1 13007640 QFUWTKMHIYSQNH-UHFFFAOYSA-N 353.488 2.347 0 40 FEAB CN1C(=O)c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2C1=O 13012731 DORUJTYAOVVLHM-QGZVFWFLSA-N 350.374 2.126 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccc(-n2cncn2)cc1 13199347 BUCRLKLLCWDACB-GFCCVEGCSA-N 372.406 2.005 0 40 FEAB CCc1nn(C)c(OC)c1CNC(=O)c1cnc(-c2ccccn2)s1 93024348 BWEZUHLJKWCGKF-UHFFFAOYSA-N 357.439 2.440 0 40 FEAB Cc1sc2nc(CSc3nnc(-c4ccco4)n3N)[nH]c(=O)c2c1C 5175226 DUCVTJISOSUZPR-UHFFFAOYSA-N 374.451 2.459 0 40 FEAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(CN2CCOCC2)cc1 71285138 CXCHATOERCBZTM-UHFFFAOYSA-N 354.406 2.398 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)c2C)no1 9155957 NAFLKYDARLLEPT-IBGZPJMESA-N 370.409 2.294 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n[nH]c1=O 6482223 SXHXWGCSZQCVMH-JTQLQIEISA-N 363.443 2.059 0 40 FEAB O=C1CSc2ccc(C(=O)NCCc3nnc4n3CCCCC4)cc2N1 14164739 BFQCXHCMDPZRCQ-UHFFFAOYSA-N 371.466 2.021 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(C(=O)C2CC2)CC1 14200064 WQRPCZBNCDVWPX-IBGZPJMESA-N 367.449 2.031 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 9316546 HEHKGNDTFBJBAC-KRWDZBQOSA-N 361.785 2.016 0 40 FEAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 7451931 LOCPOXKTANJGHX-UHFFFAOYSA-N 367.449 2.481 0 40 FEAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccn1 7597455 RVMTUVAWIUQECU-AWEZNQCLSA-N 359.451 2.357 0 40 FEAB COc1ccc(/C=C/C(=O)NC2CCCCC2)cc1S(=O)(=O)N(C)C 7609012 DNDZLHSPVPIBLT-ZRDIBKRKSA-N 366.483 2.408 0 40 FEAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H]3CC(=O)N(C)C3)c2)cs1 72063106 DKNZETJGXGGGLV-LQYUOIDQSA-N 371.462 2.391 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1C[C@@H]2CCCCN2C1 72310037 ZWAXQRIBHKMJIP-UXHICEINSA-N 357.498 2.009 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 9762781 BTLRXEVJFACBFG-VIFPVBQESA-N 351.350 2.140 0 40 FEAB COc1ccc(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cn1 9736455 XKPIHCMDDVWREM-UHFFFAOYSA-N 368.437 2.194 0 40 FEAB Cn1nc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21 84303630 GDSOEYLYOAYIKJ-MRXNPFEDSA-N 361.405 2.224 0 40 FEAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 84507116 LSPBMWNYNXPCNK-SECBINFHSA-N 353.318 2.071 0 40 FEAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1nc2c(s1)CCC2 95474710 XGFFSAXGEZSACB-UHFFFAOYSA-N 358.398 2.428 0 40 FEAB CC(=O)N[C@@H](CC(=O)NCc1nc(C)n2c1CCCC2)c1ccccc1 95444708 UYYJVZNANWRULQ-KRWDZBQOSA-N 354.454 2.412 0 40 FEAB CC(C)(C)[C@@H](CCO)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 95465403 PLHBEDHMTNCNRJ-CYBMUJFWSA-N 360.376 2.349 0 40 FEAB CCN(CCO)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 98075253 GDJYHYVRLXTQMA-UHFFFAOYSA-N 366.414 2.081 0 40 FEAB CN1CN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1=O 95995979 HTGDXJTWKLNESY-ZDUSSCGKSA-N 374.491 2.219 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306140188 UMLHPTXXJBOGJC-MRXNPFEDSA-N 371.466 2.320 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)o1 306142332 WWETUKCJMCYTTP-NUEKZKHPSA-N 354.397 2.196 0 40 FEAB CC(=O)N1CCC(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 39979675 HZNKXMNJBNEOFC-UHFFFAOYSA-N 358.417 2.369 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)c1cc(Sc2ncccn2)ccn1 72243458 KVCGQVIYGMHDQL-UHFFFAOYSA-N 354.439 2.303 0 40 FEAB Cc1nc2c(c(N3CCC(NC(=O)c4c(C)n[nH]c4C)CC3)n1)CCCC2 225739177 DFZYUKQFIRQMAA-UHFFFAOYSA-N 368.485 2.403 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc1 44890469 JMKJRYSTNBBIJA-UHFFFAOYSA-N 366.377 2.309 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(Cl)cc1 94992954 HBXSPYXDDUNUGO-MRXNPFEDSA-N 371.824 2.140 0 40 FEAB CN(C)C(=O)CN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 96215343 NKDUIZIMYFHMSH-NRFANRHFSA-N 368.481 2.184 0 40 FEAB COCC[C@@H]1CCOC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 247912260 YPOLVYPCLVJDQL-MRXNPFEDSA-N 361.438 2.392 0 40 FEAB CCc1cc(C(=O)N2CCC[C@H](c3ccc4c(N)nn(C)c4n3)C2)no1 257264176 LTFHMKCOEXCLBP-NSHDSACASA-N 354.414 2.121 0 40 FEAB O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](c2ccnc(O)n2)C1 257202936 ANYFSENGFNDHGW-OAHLLOKOSA-N 353.426 2.197 0 40 FEAB CNc1cccc([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257332865 XZBRTXQUJMSFGU-MRXNPFEDSA-N 351.410 2.293 0 40 FEAB O=C(O)[C@H]1CN(C(=O)N[C@@H](CCc2ccccc2)c2ccccn2)CCO1 635521717 YXAUOUUAWVMOQS-ZWKOTPCHSA-N 369.421 2.251 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)cc1 1629316030 UTHYJBFWGNIHAF-XOBRGWDASA-N 355.438 2.315 0 40 FEAB Cc1noc([C@H]2CN(Cc3cc(-c4cnn(C)c4C)no3)C[C@@H](C)O2)n1 625911885 DCSLTHOVLZERAZ-QLJPJBMISA-N 358.402 2.037 0 40 FEAB O=c1ccc(-c2ccccc2F)nn1Cc1nnc([C@@H]2CCCOC2)o1 643645962 SPXNUEVHUCPPNY-GFCCVEGCSA-N 356.357 2.375 0 40 FEAB CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccoc2Br)C1 1775959602 JREROFUQSYSXLF-RTXFEEFZSA-N 357.248 2.414 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)CC1CC1 585097140 GACMYIPXVULOLY-ZDUSSCGKSA-N 356.426 2.038 0 40 FEAB COC[C@@H](O)CNC1CCN(Cc2ccccc2Br)CC1 91060738 VWKDIXQJYAZLSO-HNNXBMFYSA-N 357.292 2.010 0 40 FEAB Cc1nc(CN2CCC3(CC2)CN(S(C)(=O)=O)C(C)(C)C3)cs1 1615191636 HSYNSKSDZYIVDZ-UHFFFAOYSA-N 357.545 2.478 0 40 FEAB COC[C@@H](C)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 5320033 BQSKZSQQTKPDCP-GFCCVEGCSA-N 357.435 2.276 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCc3ccc(F)cc3)n2)c(C)o1 12146783 MBPQBGFZQFMLDN-UHFFFAOYSA-N 370.384 2.158 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3nc(C)[nH]c23)cc1 12147418 NSCBZSMQGWRMQH-UHFFFAOYSA-N 372.450 2.351 0 40 FEAB CCOc1ccc(CCNC(=O)c2nc3nccc(C)n3n2)cc1OCC 14511194 KVJNLRNEZWRLLU-UHFFFAOYSA-N 369.425 2.203 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)n1 15805431 UYGSEXVJPQNEBC-LBPRGKRZSA-N 374.466 2.229 0 40 FEAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 19519989 FHIOWTVTILBZSE-UHFFFAOYSA-N 357.410 2.280 0 40 FEAB CCc1nc2cc(NC(=O)Cn3c(C)cc(C)nc3=O)ccc2n1CC 19523212 RJEQUOKOLSPHPG-UHFFFAOYSA-N 353.426 2.431 0 40 FEAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 664736136 DDGPTAHTUXTQQO-UMVBOHGHSA-N 352.456 2.084 0 40 FEAB CCCN1C(=O)NC2(CCN(C(=O)CCCc3ccccc3)CC2)C1=O 17271799 DDVCWHAHCQKHLQ-UHFFFAOYSA-N 357.454 2.332 0 40 FEAB CCS(=O)(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888882062 PLEBBQINUSYKJR-ZDUSSCGKSA-N 365.430 2.333 0 40 FEAB O=C(COc1ccccc1F)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238882943 POSDJTLWWYTUMC-HNNXBMFYSA-N 372.352 2.041 0 40 FEAB COc1ccc(F)cc1CN1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984358 YJDDHQRSJMIYCP-LJQANCHMSA-N 350.434 2.294 0 40 FEAB Cc1nc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)cs1 1614939800 YUDRJOWRAOQELM-DLBZAZTESA-N 360.483 2.437 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]c3)CC2)[C@]2(CCN(C)C2=O)C1 1565545728 MQXUHXZOFRWEOX-OAQYLSRUSA-N 372.513 2.057 0 40 FEAB CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1 4079613 REMYOBJJMIMBGD-UHFFFAOYSA-N 372.454 2.180 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 10331187 SRPLQEXKOPQLGV-CYBMUJFWSA-N 365.817 2.299 0 40 FEAB Cc1ncnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)c1C 2298047686 YFDBGISAZJVXRD-UHFFFAOYSA-N 352.442 2.164 0 40 FEAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccccn2)CC1 35263395 OJILEJRMDGNTBQ-UHFFFAOYSA-N 355.822 2.385 0 40 FEAB O=C(CNc1cccc(Cl)c1N1CCOCC1)NCC(F)(F)F 40061444 KDRZNPCFCPJCOS-UHFFFAOYSA-N 351.756 2.267 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)c2cccnc2N2CCOCC2)cn1 40118522 NCPZSDPWWJPTEF-UHFFFAOYSA-N 364.409 2.060 0 40 FEAB COc1cccc(CC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 40107018 VLPBCZFEAHISFG-ZDUSSCGKSA-N 362.451 2.487 0 40 FEAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20358791 OIVOWYCVFDPGGC-CHWSQXEVSA-N 359.426 2.311 0 40 FEAB Nc1nc(Cn2cccc(C(F)(F)F)c2=O)nc(Nc2ccccc2)n1 31814293 FAJINRFVGRZUCQ-UHFFFAOYSA-N 362.315 2.426 0 40 FEAB CC(C)n1c(=O)[nH]c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1=O 32477121 STZNFDPJMYVHSY-UHFFFAOYSA-N 367.361 2.252 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1S(C)(=O)=O 21273256 QPJUIRZXPFSGHR-UHFFFAOYSA-N 362.407 2.309 0 40 FEAB COCC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1 32769465 MUVOGYTYTZKPJP-UHFFFAOYSA-N 353.382 2.114 0 40 FEAB COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cc1OC 21790364 XCBPRNXQKVKABJ-LBPRGKRZSA-N 369.373 2.336 0 40 FEAB COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)c1cccs1 41273950 RPRIWIOOYIAWJF-CYBMUJFWSA-N 362.407 2.116 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)N1CCN(CCN2CCCC2)CC1 52850777 SJWVSTVVGULAOR-UHFFFAOYSA-N 354.498 2.341 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CN(C)CCOc3ccccc3)nc2c1 21917037 RHVQZRDRJRBUAU-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB O=C(CCC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(F)cc1F 52964272 GZZIELMPCGIXEQ-UHFFFAOYSA-N 364.392 2.445 0 40 FEAB CCOC(=O)c1nnn(-c2ccc(NC(=O)c3ccccc3)cc2)c1N 33435974 RDQZQEGQNBAXDM-UHFFFAOYSA-N 351.366 2.279 0 40 FEAB COc1cc(OC)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 24020466 IIPSVYFXWFBYDI-UHFFFAOYSA-N 370.361 2.191 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C)c2)c1 25305975 IICZYVXCYSDAGU-UHFFFAOYSA-N 356.835 2.013 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404242 BZRBDMIMIVNODL-STQMWFEESA-N 351.362 2.356 0 40 FEAB Cc1nnc(CNC(=O)Cn2c(SC(F)F)nc3ccccc32)o1 58015707 ORAMQSUHHNIVSP-UHFFFAOYSA-N 353.354 2.359 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1OC 10030046 SVRPGBAOYXUESM-SFHVURJKSA-N 356.378 2.456 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 12603389 QYESLRHFKHNRCI-HUUCEWRRSA-N 361.369 2.117 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O 58194851 JUUDQOMWPGGWPV-GOSISDBHSA-N 357.435 2.174 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccco1 58245364 BXQJDQQSWKMHSQ-MRXNPFEDSA-N 371.437 2.300 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 58228746 SGGVGVBJIQUHFS-UHFFFAOYSA-N 357.223 2.245 0 40 FEAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1 58305438 FWNIEMYHUONPDK-UHFFFAOYSA-N 373.409 2.053 0 40 FEAB Cc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119242 CHRUSLUFJDYGSM-ZIAGYGMSSA-N 364.405 2.231 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1c1cccn1C 12747123 WTLLVCBATLBDNB-LBPRGKRZSA-N 354.453 2.399 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 29021358 OCNKTLRGFQJIGU-CYBMUJFWSA-N 373.434 2.050 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(Cl)c3c(c2)OCO3)c1=O 12947825 PEARDJPIHHIVBZ-UHFFFAOYSA-N 374.702 2.396 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 5205149 UHXHJORKGUBVAO-KRWDZBQOSA-N 366.377 2.356 0 40 FEAB C[C@@H]1CCCN(CCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65497338 WIHQJLBTFILOND-CYBMUJFWSA-N 353.413 2.166 0 40 FEAB CN1C(=O)N[C@H](c2ccccc2)[C@H](C(=O)C(F)(F)F)[C@@]1(O)C(F)(F)F 14075023 ZGPMFRXWYBVRBN-KBVBSXBZSA-N 370.249 2.381 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 9114602 JUYYOZDVKMZPBK-UHFFFAOYSA-N 352.456 2.226 0 40 FEAB Cn1c(SCC(=O)Nc2ccccc2C(N)=O)nnc1-c1cccs1 9114416 CAUSWOAFTINYHK-UHFFFAOYSA-N 373.463 2.373 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 14110120 NKIWMVNKBKJURG-FQEVSTJZSA-N 367.405 2.409 0 40 FEAB Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593087 JUFOPKZZFFZRPL-KOVXWOGCSA-N 369.417 2.141 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NC1CCCC1 5561751 LEEYEIVIWVAOTG-SGTLLEGYSA-N 362.451 2.332 0 40 FEAB CCn1cc(C(=O)NCCCCCC(=O)O)c(=O)c2cc3c(cc21)OCO3 6645564 LEMZIFZTPWXQGL-UHFFFAOYSA-N 374.393 2.125 0 40 FEAB biogenic COc1ccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1OC 5603421 QZDCFKBUPVMBKR-VQHVLOKHSA-N 362.407 2.003 0 40 FEAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cc(C(F)(F)F)ccc1Cl 6719307 JGYQYBHOWKHPDR-WCBMZHEXSA-N 370.805 2.219 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3 15905671 ZIBLVJPAVSRSNK-BMQTXXJKSA-N 361.401 2.002 0 40 FEAB CCCNC(=O)CNC(=O)COc1ccc(Cl)cc1Br 7694005 YVTLKIOGXOJPMX-UHFFFAOYSA-N 363.639 2.124 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 16092749 FRJIYPBNLXHTCZ-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB Cn1nc(CC(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2c1=O 8040105 NSNXPYMJIRGGDT-UHFFFAOYSA-N 365.389 2.276 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 8184353 HMCBXRYLSMGMEE-AWEZNQCLSA-N 372.446 2.390 0 40 FEAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20490868 VAEWZCLJMDKHSX-UONOGXRCSA-N 356.513 2.407 0 40 FEAB COc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(Cl)c1OC 8288304 AMOLRALOJIHFQK-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB COC(=O)NC(C)(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 84139909 GNMKXCTXHSIOSM-UHFFFAOYSA-N 352.391 2.341 0 40 FEAB CC(C)(C)CN(CCCO)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 84169829 JAJAKCJYQANAHD-UHFFFAOYSA-N 355.442 2.344 0 40 FEAB Cc1cc(C)n2nc(C(=O)NCCc3nc4c(s3)CCCC4)nc2n1 84109844 YFQJJBLXCUGCNO-UHFFFAOYSA-N 356.455 2.049 0 40 FEAB CCO[C@@H](C)c1nc(Cn2nc(C(=O)OC)cc2C(=O)OC)cs1 95452306 PYNXIAHXWFDTQY-VIFPVBQESA-N 353.400 2.059 0 40 FEAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1cccnc1 95956462 XNBWIGMBLBSOCD-KRWDZBQOSA-N 353.422 2.306 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)C1 75093988 BEGIAGPAQKIKDO-HOTGVXAUSA-N 361.417 2.365 0 40 FEAB COc1ccc(CCNC(=O)C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 22540564 PKXUQUBXQCHIOK-CYBMUJFWSA-N 374.412 2.379 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1 1520939841 ATJZSPUCMSDYRK-CQSZACIVSA-N 373.453 2.141 0 40 FEAB CCCCc1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 32915631 ZZAURVRBAAEPAI-UHFFFAOYSA-N 353.422 2.497 0 40 FEAB CCSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 38756263 WBRBSZFXPHQGFO-CYBMUJFWSA-N 371.528 2.256 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72360265 MVZHXKWDJYCMRE-HNNXBMFYSA-N 362.397 2.086 0 40 FEAB O=C(O)CCCNC(=O)c1cc(Br)c(Br)[nH]1 217654895 SLYIBVQGQWGGKX-UHFFFAOYSA-N 353.998 2.134 0 40 FEAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980029 GMHKQWTZHTYNJV-KRWDZBQOSA-N 354.406 2.187 0 40 FEAB CN(C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646308 WJSPVEVYSZFPQH-UHFFFAOYSA-N 351.756 2.365 0 40 FEAB CCc1nnc(NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2OC)s1 223407307 MVYJRLYMCUATDA-GFCCVEGCSA-N 360.439 2.239 0 40 FEAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 225969773 GYRHCLOKNSZTIO-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c(C)c1 224155415 KOLYYBURSLOMKF-UHFFFAOYSA-N 360.483 2.481 0 40 FEAB C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C 96223357 ACFWEVRUGYTOTR-ZDUSSCGKSA-N 353.430 2.097 0 40 FEAB Cc1ccc2c(c1)C1(CCN(S(C)(=O)=O)CC1)CN2C(=O)C(C)C 96063561 MMZNZFAMLMRLMA-UHFFFAOYSA-N 350.484 2.291 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2ccccc2F)n1 257266499 MDGVWWCIKDDVGZ-GOSISDBHSA-N 356.401 2.158 0 40 FEAB CCOc1cc(/C=C\C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC 584908008 XXFPDWFUCPSDFQ-ALCCZGGFSA-N 363.410 2.199 0 40 FEAB COc1ccc(-c2nc3sc(=Cc4cccs4)c(=O)n3n2)cc1OC 254618368 MGFFVIOSFWOSLI-UHFFFAOYSA-N 371.443 2.444 0 40 FEAB O=C(O)c1ccc(CN2CCOC[C@H](Cc3ccc4nccn4n3)C2)cc1 257294296 QTLLPQVYYZLQMM-MRXNPFEDSA-N 366.421 2.119 0 40 FEAB O=C(CCOc1ccccc1Cl)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644072017 PFOFUSARYMWKAK-BMFZPTHFSA-N 352.862 2.213 0 40 FEAB Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1cccc(S(C)(=O)=O)c1)O2 650975380 QXMHQZYBGVPUPQ-SFHVURJKSA-N 359.447 2.409 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)C(=O)NCc2ccco2)c1C 1120485575 PEQSUYJISTYVQY-SJORKVTESA-N 360.454 2.239 0 40 FEAB O=C(NCc1noc2c1CCCC2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 297171544 SEHHHFSIEHPTJX-UONOGXRCSA-N 368.437 2.044 0 40 FEAB CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575403906 KQNRBTKVTOSWRJ-ARFHVFGLSA-N 350.484 2.388 0 40 FEAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 585103457 WYESLPIPBDHFOM-QFBILLFUSA-N 361.461 2.271 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@H]12 585109259 FJAGXKWGCMCEPB-UMVBOHGHSA-N 362.476 2.356 0 40 FEAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 585103450 WMKJQWXEFHJWNJ-PKOBYXMFSA-N 361.461 2.271 0 40 FEAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)/C=C/c3cnc[nH]3)CC[C@@H]2O1 585291558 QBMLLEHXHVMUCK-DGLVXXGDSA-N 368.437 2.293 0 40 FEAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585112602 UDOIXPJHGUSOSN-INIZCTEOSA-N 368.890 2.033 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)c3cc(F)cc(F)c3)CC1)CC(=O)N2C 1772596200 UNLNJLYJGVNHLJ-UHFFFAOYSA-N 374.391 2.468 0 40 FEAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1C 13028015 NYTXBGCFUXAVIB-AWEZNQCLSA-N 356.488 2.482 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1 15024856 NVJHZKMIGDNCEX-UHFFFAOYSA-N 353.378 2.373 0 40 FEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnccn1 17915416 OVJBUDXZDWXCCT-UHFFFAOYSA-N 352.316 2.385 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)ncc2C1 19018579 BADXVNWDEMJRRS-GOSISDBHSA-N 350.422 2.359 0 40 FEAB CN1CCc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)ncc2C1 19590532 SPJKPCBNAUJQIL-KRWDZBQOSA-N 366.469 2.044 0 40 FEAB Cc1cc(C)nc(NCCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)n1 19658514 WANNWLCOCSNQCG-CYBMUJFWSA-N 369.425 2.278 0 40 FEAB CC(C)[C@@H](CNC(=O)c1cn2cc(Cl)ccc2n1)N1CCOCC1 19716812 JSKIROSENJVUAP-OAHLLOKOSA-N 350.850 2.074 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H]1C 15791768 QWLACALDFJPNNY-IOASZLSFSA-N 356.463 2.387 0 40 FEAB O=C1[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)N1c1ccccc1 1888850063 COHMNZBWSHTFIG-RYUDHWBXSA-N 362.311 2.121 0 40 FEAB CCc1cc(N2CCN(c3nc(COC)ns3)CC2)nc(SC)n1 1888866462 MSNSMIKKWOWWFF-UHFFFAOYSA-N 366.516 2.085 0 40 FEAB c1cn2nc(OCC3CCN(Cc4nnc(C5CC5)o4)CC3)ccc2n1 1888888130 AQIAXTQTDUJRJF-UHFFFAOYSA-N 354.414 2.281 0 40 FEAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888900963 OPHHJEYSUGGNKY-UHFFFAOYSA-N 353.430 2.364 0 40 FEAB COc1cc2ncnc(N3CC[C@H](C(=O)NC(C)(C)C)C3)c2cc1OC 1889120584 BHJQOEKDPNKXEZ-LBPRGKRZSA-N 358.442 2.388 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)nc1 1889208401 KGRGATGOSGPMIO-MRXNPFEDSA-N 362.437 2.469 0 40 FEAB O=C1[C@@H](N2CC[C@H](Oc3ccncc3Br)C2)CCN1C1CC1 1849482381 NZGQWOINKLGTGX-JSGCOSHPSA-N 366.259 2.061 0 40 FEAB NC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 6316280 HHZWMAJPZDEYLW-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB Cn1ccnc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840601 OKEVLTKKJWGPFT-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB COc1cccc2cc(C(=O)N3CCN(c4nccs4)C(=O)C3)oc12 1565523071 FHUQWJPZQBHKIK-UHFFFAOYSA-N 357.391 2.387 0 40 FEAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2cccs2)n1 7420516 SCLPACGLZOLNTB-UHFFFAOYSA-N 357.439 2.459 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccncc2)C1 2055746221 BNDIERAULICKAT-HXUWFJFHSA-N 372.444 2.040 0 40 FEAB Cn1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1 38489149 WOVRECHGSPTHTB-UHFFFAOYSA-N 361.449 2.363 0 40 FEAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)NC2CC2)CC1 43942513 GSIYEAGCBUVTAW-UHFFFAOYSA-N 361.511 2.015 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 23143477 BJBPSDHIJPZSKR-UHFFFAOYSA-N 367.398 2.360 0 40 FEAB CCOC(=O)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2ccccc21 40158684 AJPVGPKIYCFUGP-UHFFFAOYSA-N 362.389 2.198 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccc(F)c(F)c1 51259931 PKTNNZHVCFNMDU-DNVCBOLYSA-N 374.343 2.228 0 40 FEAB Cn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1cnccn1 20717822 UYQKRVZHFYRMDD-AWEZNQCLSA-N 352.423 2.318 0 40 FEAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)O[C@H](C)C1 32633719 RMKQLQYHJFCRAO-ZRGWGRIASA-N 371.481 2.487 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2c(s1)CCCCC2 102681711 MDWJBBSYEQHRPQ-KUDNYVPYSA-N 371.462 2.158 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 78720278 LFHGIHIBVZPEMC-INIZCTEOSA-N 352.843 2.327 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC[C@@H]1CCCO1 2974352 ATWXMWFGHBZZKW-ZDUSSCGKSA-N 359.451 2.119 0 40 FEAB CCCn1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1=O 22463134 OUIQZIZQXTWSEC-GOSISDBHSA-N 354.454 2.220 0 40 FEAB O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)Nc1nccs1 4909749 FDVBZPVMGITETH-UHFFFAOYSA-N 350.488 2.243 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)c3cccnc3)c(Br)cc21 10128102 NVBZCANRWAEDAP-UHFFFAOYSA-N 361.199 2.287 0 40 FEAB Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 97013383 YBGACYSYTDPUBS-LLVKDONJSA-N 371.260 2.162 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(Cc3cncn3C)C2)C1 107228880 ZRMVIBAWNBUBOS-UYAOXDASSA-N 355.486 2.071 0 40 FEAB COc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1Br 47497652 OYINJPBVNZBIIP-VIFPVBQESA-N 374.260 2.231 0 40 FEAB COc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1 1275988 KZRUEWQPSFDTAX-IRXDYDNUSA-N 361.419 2.130 0 40 FEAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 12547969 BGWBGGLNZKDELA-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB Cc1c(C)c(C)c(C(=O)OCC(=O)NCC(=O)N2CCCC2)c(C)c1C 43832010 UIIMPKMBEAWSSJ-UHFFFAOYSA-N 360.454 2.124 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)NCC(=O)Nc1ccc(Cl)cc1 54649848 YGCNBGYAJKMSFQ-CQSZACIVSA-N 361.833 2.389 0 40 FEAB O=C(c1cccs1)N1CCN(C[C@H](O)COCc2cccs2)CC1 57159161 SWQRORRESDKFNV-AWEZNQCLSA-N 366.508 2.145 0 40 FEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 57856207 OEMALIRQAYXYLO-INIZCTEOSA-N 371.403 2.123 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 58192070 ZOEANZBGBJASQA-MRXNPFEDSA-N 371.441 2.134 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccco1 58200887 OZVUPSPVWCIFRE-MRXNPFEDSA-N 364.467 2.496 0 40 FEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=NN(C)C(=O)CC1 53177699 HHLUHERKMRZVLS-UHFFFAOYSA-N 373.331 2.277 0 40 FEAB COC[C@@H](C)NC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 58357300 ZNOTZPPVDOUXAF-OAHLLOKOSA-N 367.449 2.453 0 40 FEAB CCOc1ccccc1CNC(=O)c1nc(Cn2cc(Cl)cn2)no1 21451627 BRQMPEGFYXSIKI-UHFFFAOYSA-N 361.789 2.297 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2nncn2C2CC2)[C@@H]1C 10648963 SWWCSHAIKPAPFQ-WZRBSPASSA-N 351.476 2.356 0 40 FEAB CN1CCN([C@@H](c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1 20098542 HTFRRZILHFSYGV-SFHVURJKSA-N 365.485 2.313 0 40 FEAB CN(Cc1cccs1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8726412 RUURGWOPRFIQOY-UHFFFAOYSA-N 359.494 2.192 0 40 FEAB COc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 12890769 KMGDWNTZAQCPGY-HXUWFJFHSA-N 365.389 2.243 0 40 FEAB NC(=O)NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 3530418 SUZQNLCWGKRYRN-UHFFFAOYSA-N 368.345 2.364 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306143204 XVVWRSCPHKETRD-MRXNPFEDSA-N 371.466 2.320 0 40 FEAB O=C1O[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 19359508 SEDKWJLTQOQURF-LJQANCHMSA-N 352.390 2.402 0 40 FEAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)c1 5002432 IBNZLSYREWPIQH-CQSZACIVSA-N 350.440 2.367 0 40 FEAB Cc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1-n1cncn1 93017077 HJVQVNIPWOHNRM-IBGZPJMESA-N 355.486 2.120 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1C 14021557 PWAFCOMVMKKIFO-ZDUSSCGKSA-N 350.415 2.366 0 40 FEAB Cc1ccc(-c2nnc(CCC(=O)OCCNc3ncccn3)o2)cc1 65563487 SOBMGTNAJQIUIC-UHFFFAOYSA-N 353.382 2.423 0 40 FEAB CCc1noc(C)c1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 14198563 JYSCHRLNXGNRFK-UHFFFAOYSA-N 374.416 2.081 0 40 FEAB Cc1ccc2c(c1)C[C@](C)(C(=O)Nc1cccc(-n3cnnn3)c1)OC2=O 5486936 FPDLJPJAWOLUMX-LJQANCHMSA-N 363.377 2.081 0 40 FEAB C[C@@H]1CCC[C@@H](NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C 6586281 VMFGFLCXPLOUOF-CKEIUWERSA-N 367.515 2.290 0 40 FEAB Cc1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1 5797550 RTJPYUUFWAQWBS-UHFFFAOYSA-N 374.462 2.457 0 40 FEAB CC[C@@H]1CCCCN1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 7425903 IJRRSZXKAJGZCD-OAHLLOKOSA-N 365.437 2.373 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 409206236 WJRJMRYTSJAVOK-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB COc1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)OCCO3)N(C)C)cc1 8346280 MRBFGTIZFFDHDX-GOSISDBHSA-N 370.449 2.428 0 40 FEAB COc1c(Br)cc([C@@H]2NCCC(=O)N2)cc1Br 408736828 ISSPWQOAHMGTNU-LLVKDONJSA-N 364.037 2.328 0 40 FEAB CC1(C)O[C@@H](C(=O)NCc2ccccc2)[C@H](C(=O)NCc2ccccc2)O1 39096350 BGPXLBACWHVXTA-QZTJIDSGSA-N 368.433 2.139 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306144776 ZOJDJVMDLXPIKE-CABCVRRESA-N 371.510 2.316 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cccc3cccnc23)c1 32895806 ITIDAHOSJXHRAB-UHFFFAOYSA-N 371.462 2.475 0 40 FEAB Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n2ncnc2n1 35310963 NTACZBSXZZONRV-UHFFFAOYSA-N 354.389 2.427 0 40 FEAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O 39419103 SPJXGIDHWJCRSL-RYUDHWBXSA-N 362.492 2.248 0 40 FEAB O=C(c1ccc(N2CCCC2)nn1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 180165435 CFFIWECHPWKFJK-DYVFJYSZSA-N 374.391 2.303 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218548121 YZCITRQNVYXEPP-BRWVUGGUSA-N 351.855 2.278 0 40 FEAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1 32886055 LFDJWZIKZPJPHH-UHFFFAOYSA-N 372.494 2.305 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4ccccn4)CC3)cc2N1 72339672 YJOHUDRWFHAUOU-UHFFFAOYSA-N 365.389 2.148 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc21 47219401 HQUCXCGIEXJDHU-XBXARRHUSA-N 351.362 2.258 0 40 FEAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(-n3cccn3)nn2)CC1 48985114 JVRVXAJMJWENDA-UHFFFAOYSA-N 373.420 2.106 0 40 FEAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1C 223110223 FKYFQLZLDPDMIA-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB COc1cc(=O)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 96184142 KBVXQFUHRUOPFH-GASCZTMLSA-N 355.438 2.423 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](N)CC[C@H]1C(F)(F)F 583619842 OTZDNXFZHIYOGS-FZMZJTMJSA-N 354.376 2.479 0 40 FEAB COc1ccc2c(ccn2CCC(=O)/N=c2\[nH]nc([C@H]3CCCO3)[nH]2)c1 95480953 ICLCQPUXOQLUPY-OAHLLOKOSA-N 355.398 2.070 0 40 FEAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CC[C@@H]2C=CC=C[C@H]21 230005933 UPKRWRCVVLFEKN-LPXAQJHASA-N 361.419 2.298 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)on1 96106251 UABNLPLLYIOCAP-HNNXBMFYSA-N 357.410 2.468 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cnn([C@@H]2CCOC2)c1C 582647336 RPNNOIOSQKIJPD-SNVBAGLBSA-N 371.440 2.022 0 40 FEAB Cc1ccc(OCC(=O)N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)cc1 248017555 LIVJDRKCIXYXNK-QGZVFWFLSA-N 369.421 2.003 0 40 FEAB CNC(=O)CN1CCC[C@H](c2nccnc2Nc2nc(C)c(C)s2)C1 257217277 CYHWPIFTYJWFDT-ZDUSSCGKSA-N 360.487 2.219 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)cn1 257227634 FQFLRTKXFWRATA-UHFFFAOYSA-N 353.426 2.011 0 40 FEAB CCn1cc(-c2ccnc3cc(C(=O)NCC4CCOCC4)nn23)c(C)n1 257224333 FBIRXFZSINAOLG-UHFFFAOYSA-N 368.441 2.078 0 40 FEAB CCOc1ccc([C@@H](C)NC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 608626606 OAIPKGJIOZBNGH-CYBMUJFWSA-N 356.426 2.008 0 40 FEAB Nc1ncc2c(n1)CN(C(=O)CNc1cccc(C(F)(F)F)c1)CC2 623325485 KPUXHFCBTOEAHN-UHFFFAOYSA-N 351.332 2.074 0 40 FEAB Cc1[nH]nc2ncc(C(=O)N3CCC[C@H]3c3ccc(N(C)C)nn3)cc12 643907435 JPPOJXTWUGXXAS-HNNXBMFYSA-N 351.414 2.100 0 40 FEAB NC(=O)c1cncc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)n1 67841314 ODBQCWXPJFLOQY-UHFFFAOYSA-N 366.400 2.489 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H]1CCC2(CCCCC2)O1 682962413 KHKXSFDUIPCDNQ-CYBMUJFWSA-N 370.471 2.156 0 40 FEAB CCOc1ccc(CNC(=O)C(=O)NCCc2ccc(OC)cc2)cc1 298131583 YEBGONQQRJJMGF-UHFFFAOYSA-N 356.422 2.069 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)n1)CCC2 585617411 KDAGNJWIDWJYFU-IYBDPMFKSA-N 350.470 2.253 0 40 FEAB O=C(Cc1ccccc1)N1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585103021 OEGAZEPIDSEBFX-GHTZIAJQSA-N 356.466 2.107 0 40 FEAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccsc3)C2)cn1 585112454 QWDWECFDCBUWDJ-MRXNPFEDSA-N 370.482 2.055 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC(C)(C)[C@H]3c3nccn3C)[nH]2)CC1 685942770 VMJPKDWPLOUVMX-OAHLLOKOSA-N 356.474 2.176 0 40 FEAB CN(Cc1cccs1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 30813356 BTCSUSFGXVCKBE-UHFFFAOYSA-N 356.455 2.061 0 40 FEAB CN(C)c1nccc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)n1 301336063 CCIMUDCNLCKZEK-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Nc1cc(F)c(F)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 1540607249 DXOLVVREDDFLCM-UHFFFAOYSA-N 359.254 2.333 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 13610253 GOGXHCSONMIEHX-UHFFFAOYSA-N 374.418 2.380 0 40 FEAB COc1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc(OC)c1 15076009 BYPOAFSTBQKCOB-HZPDHXFCSA-N 360.410 2.208 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)Cc3ccccn3)cc2C[C@H]1C 19497823 UIXLAXDBKOCIHC-ZIAGYGMSSA-N 373.478 2.289 0 40 FEAB O=C(CC[C@@H]1CCC(=O)N1)Nc1ccc(N2CCCCC2)c2nonc12 19660214 VLVBXCKEOYYJOD-LBPRGKRZSA-N 357.414 2.210 0 40 FEAB Cc1ccn([C@H](C)CC(=O)N(C)CCn2cc(Br)cn2)n1 614956087 UEWVRMWOKFZWTK-GFCCVEGCSA-N 354.252 2.260 0 40 FEAB COc1cccc(S(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)c1 225572509 NLVMVZZPUOPZQV-HNNXBMFYSA-N 370.540 2.191 0 40 FEAB Fc1cnc(N2CCC[C@H](COc3ncc(Br)cn3)C2)nc1 1888843775 NQDFBAGNCCAXLX-JTQLQIEISA-N 368.210 2.464 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2cccc(I)c2)C[C@@H](C)O1 21821925 KUDGIQBHOCMLON-GHMZBOCLSA-N 374.222 2.339 0 40 FEAB CCn1nccc1C(=O)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056223791 BGOREBAPNBXQHA-HDICACEKSA-N 353.470 2.282 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 1614936311 ASGFKAUDXVYJNK-KRWDZBQOSA-N 360.389 2.050 0 40 FEAB C[C@@H]1CN(c2nc3ccccc3c(=O)n2C)CCN1Cc1ccncc1F 2086988799 AERGFKVZMYOBIK-CQSZACIVSA-N 367.428 2.178 0 40 FEAB O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)C1(F)CC1)CCC2 1565550259 WMCYZFNJXQOAOZ-UHFFFAOYSA-N 356.401 2.048 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1F 4940801 YILAAWVQVSOJAC-NSHDSACASA-N 362.382 2.306 0 40 FEAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 5272664 UYPKZOVNSFIOPY-ZDUSSCGKSA-N 358.419 2.099 0 40 FEAB Cc1nc(C)c(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884603 SRJGFKOUOJOPTE-CYBMUJFWSA-N 359.442 2.218 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@@H]2CCCC[C@@H]2O)CC1 585503438 RJOCHHXBYCVTOD-UXHICEINSA-N 368.481 2.321 0 40 FEAB O=C(NC[C@@]1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 606440405 LFHJAFRMHIQAIG-OAHLLOKOSA-N 358.316 2.111 0 40 FEAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCOCC1 20102464 HWTHPAHXJLZFNX-UHFFFAOYSA-N 363.389 2.145 0 40 FEAB CCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)n[nH]2)cc1 51315705 YOPMEWHTPFTVAJ-UHFFFAOYSA-N 357.410 2.455 0 40 FEAB Cc1cccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)c1C 21149688 ZGDLVJTZSBQLIB-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB CC(=O)Nc1cccc(OC(=O)CCn2cnc3ccccc3c2=O)c1 32843351 AOVHMPSCVNDMOK-UHFFFAOYSA-N 351.362 2.351 0 40 FEAB Cn1ncc2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)ncnc21 32907716 WLIJCQJIKKNEFW-UHFFFAOYSA-N 364.240 2.392 0 40 FEAB COc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)cc(OC)c1OC 53194685 VTQFLJFZQZZBQT-UHFFFAOYSA-N 371.437 2.065 0 40 FEAB O=C(CN1CCc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7348112 PZKCXVRPDLAUOR-QGZVFWFLSA-N 362.495 2.007 0 40 FEAB Cc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 42267388 ZDXQCPWCIXNAEI-QPJJXVBHSA-N 365.432 2.346 0 40 FEAB O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1Nc1ccccc1 12389552 BLWRYBNKGQWREE-UHFFFAOYSA-N 355.361 2.376 0 40 FEAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1cccs1 8884399 WWIAFZDOACWMSQ-GFCCVEGCSA-N 352.481 2.331 0 40 FEAB O=C(NCCn1ccnc1)Nc1cccc(I)c1 43317406 ZHSBNANIEQOGFV-UHFFFAOYSA-N 356.167 2.309 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1cccs1 57577976 RTKUFIJTRAKUAS-GFCCVEGCSA-N 356.469 2.099 0 40 FEAB O=C(Nc1cn[nH]c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 58184616 NGFPQKCHEQNVQY-ZDUSSCGKSA-N 363.215 2.416 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCn1cnc2ccccc21 58192312 BETHEQOMBVPNQZ-KRWDZBQOSA-N 354.410 2.200 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(-n3cnnc3)c2)cs1 58172097 RFAPZZSLMQGSCU-UHFFFAOYSA-N 370.438 2.500 0 40 FEAB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2C)C1 58208671 BMOPHXKUJUOPRO-MRXNPFEDSA-N 366.483 2.311 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)c2cc(SC)ccc2Cl)CC1 58295814 IPLPCMVAMCPOAU-UHFFFAOYSA-N 369.918 2.346 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58394315 WKLOPAIYACTSRX-QKCSRTOESA-N 358.360 2.017 0 40 FEAB Cc1cccc(C)c1-n1nnnc1SC[C@@H](O)CN1CCC(C)CC1 58421456 UBAOGQCJCCHDFG-INIZCTEOSA-N 361.515 2.464 0 40 FEAB COCc1nn2c(O)cc([C@H]3CC(=O)N(C)C3)nc2c1-c1ccccc1 100775651 BPJOBJPFTAIWOL-ZDUSSCGKSA-N 352.394 2.194 0 40 FEAB O=C(NC1CC1)c1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1 12781881 ZMAWRAHFGKYCQE-UHFFFAOYSA-N 361.405 2.471 0 40 FEAB CN(Cn1nc(-c2ccc(F)cc2)oc1=S)[C@@H]1CCS(=O)(=O)C1 12764756 AFFYELFNZJOWFB-GFCCVEGCSA-N 357.432 2.088 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)OCC(=O)N1CCc2sccc2C1 11154397 JRKVCBHBTOXDTJ-UHFFFAOYSA-N 361.467 2.159 0 40 FEAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1F 11520218 PFQGGCIBQKMQNT-UHFFFAOYSA-N 358.398 2.289 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 3311274 WERWGQGKUQNPDW-OAQYLSRUSA-N 363.417 2.433 0 40 FEAB O=C1CNC(=O)N1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 12973072 RFYQNMZMPRMYGW-ZDUSSCGKSA-N 372.450 2.292 0 40 FEAB COc1ccccc1OCC(=O)NCCc1nc(-c2ccccc2)no1 13656238 LLHHHGVXQJYLHC-UHFFFAOYSA-N 353.378 2.483 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1COc2ccccc2O1 6055301 JGQWYEHERUSFLN-SJKOYZFVSA-N 357.362 2.405 0 40 FEAB O=C(NCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(F)cc1Cl 65475282 MGLVFEULLZWEIB-CQSZACIVSA-N 367.852 2.296 0 40 FEAB CONC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 14200166 JAQCPJCYRAUSLD-UHFFFAOYSA-N 370.814 2.441 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CSc2ncnc3ccccc23)c1 5520456 LXKQZJATUNGSQM-UHFFFAOYSA-N 374.447 2.008 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 6763954 OZJIWOOCXXPVEG-PSGMQZRDSA-N 355.438 2.075 0 40 FEAB COc1ccccc1-n1c(O)nc2nc(NCc3ccco3)ncc2c1=O 67263822 FAMCUYFELPJLKO-UHFFFAOYSA-N 365.349 2.095 0 40 FEAB O=C1NC2(CCCCC2)C(=O)N1Cc1ccc(S(=O)(=O)C(F)F)cc1 9737771 CHFXJSNBVDDAJD-UHFFFAOYSA-N 372.393 2.438 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nncn3Cc3ccco3)cc2N1 9316036 QPCZNILTRPKLAE-UHFFFAOYSA-N 370.390 2.225 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 7825990 BKQSHQHZBMZBRQ-GOSISDBHSA-N 354.406 2.222 0 40 FEAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 16340811 UPELQJRQOKAKRC-GOSISDBHSA-N 372.490 2.011 0 40 FEAB Cc1cccc(N2C[C@H](C(=O)OCc3ccc(C(N)=O)cc3)CC2=O)c1C 16809676 SQHNLOGPGVYFRZ-QGZVFWFLSA-N 366.417 2.499 0 40 FEAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 18281219 GCXCJBUEIZTIRY-NRFANRHFSA-N 363.417 2.005 0 40 FEAB C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 18205948 CCKDKMSKFQFKFL-BDBXCFIQSA-N 369.446 2.007 0 40 FEAB CN(C(=O)CSc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 8748146 KCVCHIGLFMBJNY-UHFFFAOYSA-N 373.482 2.205 0 40 FEAB Cc1[nH]c(SCC(=O)N2CCC[C@@H](C(N)=O)C2)nc1Cc1ccccc1 8776989 XDVKEIQUKWINOO-OAHLLOKOSA-N 372.494 2.125 0 40 FEAB CC1CCN(c2nnc(S[C@H]3CCOC3=O)n2C[C@@H]2CCCO2)CC1 95349063 HOKCDJFYQVXPKA-KBPBESRZSA-N 366.487 2.101 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C 95458978 LUAHBILNTICARG-OAHLLOKOSA-N 367.446 2.247 0 40 FEAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1 95951803 UGUSZPPAWNAKPU-SJORKVTESA-N 366.465 2.105 0 40 FEAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 306126686 FCBXHVHHHXKUNU-BRWVUGGUSA-N 357.479 2.328 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3cccc(C)n3)c(=O)c2cc1OC 32091905 TUXBWDQKCAVBOJ-UHFFFAOYSA-N 368.393 2.146 0 40 FEAB CC(C)CCN1C(=O)c2ccc(C(=O)NCCc3c[nH]cn3)cc2C1=O 31809364 BQDPAEJDPFOUFM-UHFFFAOYSA-N 354.410 2.024 0 40 FEAB O=C(CCCc1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 30819301 KLTFZFWBPJULQR-UHFFFAOYSA-N 350.426 2.024 0 40 FEAB Cc1ccc(C2(CNC(=O)N3CCOC[C@@H]3c3ncnn3C)CC2)c(C)c1 562604139 CZRHGDKKPFLMLV-QGZVFWFLSA-N 369.469 2.247 0 40 FEAB S=C(NCc1ccco1)Nc1nc(Cl)cc(N2CCOCC2)n1 225913799 VYTXQTDQQYSQBI-UHFFFAOYSA-N 353.835 2.046 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 571401434 JLKSSDPGBHZBOW-UONOGXRCSA-N 361.822 2.036 0 40 FEAB Fc1cccc(N2CCOC[C@@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 96078465 MOIWSTDMTVTDNG-DNVCBOLYSA-N 358.417 2.340 0 40 FEAB CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 96112771 AIDHXIVQNXZEGO-HNNXBMFYSA-N 371.462 2.301 0 40 FEAB biogenic,in-vitro O=S(=O)(Cc1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1 96259333 AMEGRLIERJRBLN-UHFFFAOYSA-N 374.510 2.215 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(CCOC)C2 96055956 WFPQPFDSIQJWCQ-LPHOPBHVSA-N 366.527 2.472 0 40 FEAB CN(C)CCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 96232734 XVCWRMKTBBODEQ-UHFFFAOYSA-N 370.478 2.261 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3ccc(N)nc3)n(C)n2)CC1 257235226 GWYMKWMLASWMEU-SHTZXODSSA-N 370.501 2.163 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253589979 ARUMTAYSTDBRDZ-CLUDHOEWSA-N 372.465 2.484 0 40 FEAB C[C@]1(O)CN(Cc2ccc(OCCO)cc2)CC[C@@H]1Oc1ccccc1 257290025 QBENGPAWTVUWMI-SFTDATJTSA-N 357.450 2.462 0 40 FEAB Cc1nccc([C@H]2CN(C(=O)Cn3c(C)nc4ccccc43)CCO2)n1 257338674 YYLOLBDMWGYMFH-GOSISDBHSA-N 351.410 2.043 0 40 FEAB O=C([C@H](c1ccccc1)S(=O)(=O)[C@H]1CCCOC1)N1CCCCC1 272466969 YRWAQAKBDPVGTP-IRXDYDNUSA-N 351.468 2.334 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 1775959146 KTGZZOMDPJAFDT-ARFHVFGLSA-N 350.463 2.177 0 40 FEAB Cn1cc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)cn1 1776008276 BLNPPTZXPARNIA-GFCCVEGCSA-N 366.263 2.264 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc12 603567329 SNQRXJQBSPSZJH-UHFFFAOYSA-N 365.397 2.111 0 40 FEAB CNC(=O)[C@@H](C)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 9367822 MFGZTYNDJAKLDN-CQSZACIVSA-N 353.488 2.106 0 40 FEAB C[C@H](C(=O)N(C)C1CCCCC1)n1cnc2c1CCNC21CCOCC1 1615590440 PCTUURJVDKCDMW-OAHLLOKOSA-N 360.502 2.387 0 40 FEAB O=C(CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCCO1 627892333 MEZCAZUOOFTCHZ-UHFFFAOYSA-N 372.343 2.287 0 40 FEAB Cc1noc(CN2CCCC[C@H](Nc3ncnc4c3CCCC4)C2=O)n1 643699736 BLRGXODXVWVMCL-HNNXBMFYSA-N 356.430 2.040 0 40 FEAB CC(C)[C@H](CN=c1c(C(=O)O)c[nH]c2ccccc12)N1CCN(C)CC1 649384369 UYQSLVXZAOLCNK-SFHVURJKSA-N 356.470 2.039 0 40 FEAB Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2F)OCCO)cc1 96338000 CIMFNPYBHGBPAW-MRXNPFEDSA-N 371.405 2.302 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@](CO)(Cc3ccc(F)cc3)C2)c1 585275835 AIUUVOVWPPDYNF-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 585088640 SJBPETQMYYXQLH-IFXJQAMLSA-N 363.458 2.231 0 40 FEAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 57291382 KDBXTPWLTAEHKW-UHFFFAOYSA-N 373.840 2.464 0 40 FEAB COCc1c(C(=O)NCCN2CCOCC2)sc2cccc(F)c12 52893625 YOQUJSCRYWQXFJ-UHFFFAOYSA-N 352.431 2.249 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCCN3C)CC2)c(C)c1 78560141 MGBLORUFTGHFJF-GOSISDBHSA-N 365.543 2.094 0 40 FEAB O=C(NCc1cccs1)NCC1(N2CCOCC2)CCSCC1 1775974735 NPCSVYPQKWKQSZ-UHFFFAOYSA-N 355.529 2.145 0 40 FEAB CCSc1nnc([C@H]2CCCN2CC(=O)NCc2cccs2)n1C 5001606 MYOFVLDWSSGDSB-CYBMUJFWSA-N 365.528 2.442 0 40 FEAB Cc1nc2ccc(NC(=O)CN3CCC(O)(c4ccccn4)CC3)cc2[nH]1 12114582 OZTRMLRNZWAYMJ-UHFFFAOYSA-N 365.437 2.188 0 40 FEAB COc1cccc([C@@H](NC(=O)c2ccncc2)c2nccn2C)c1OC 12221714 BWALWCOEOAWKDP-MRXNPFEDSA-N 352.394 2.352 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688921 CHJAOQJZQLRPBT-NXHRZFHOSA-N 354.450 2.465 0 40 FEAB Cc1nn(CCNC(=O)COc2ccc3c(c2)OCO3)c(C)c1Cl 19578279 RDAHNCKBCFOUTG-UHFFFAOYSA-N 351.790 2.077 0 40 FEAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 6326851 NDWQLMRLWSSFIJ-AWNIVKPZSA-N 351.380 2.333 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1 23127401 ZQLLPKAMQQWODA-UHFFFAOYSA-N 373.497 2.082 0 40 FEAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NC[C@H]4CCCO4)c23)C1 5937670 YDKFXCXXKRFWBY-VXGBXAGGSA-N 361.467 2.490 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)n1)CCC2 1888866954 HIEXILUMWFXWEX-ZIAGYGMSSA-N 367.428 2.016 0 40 FEAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 2711062 MSDLDRZUHBRPKG-KBPBESRZSA-N 352.431 2.101 0 40 FEAB COc1ccccc1CN[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745609 NTEDLBAJQCYDIM-HNNXBMFYSA-N 355.438 2.470 0 40 FEAB O=C(c1ccncc1F)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775973225 KNENGTBRDJTOEZ-UHFFFAOYSA-N 366.396 2.483 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575620704 VLGAROAJZDBHFY-KRWDZBQOSA-N 372.450 2.361 0 40 FEAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCC(C)C)c(=S)[nH]c2c1 17113114 MBRUTYSXPLHUHE-UHFFFAOYSA-N 363.439 2.008 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12417024 NFRQLEBBIIEUML-VIFPVBQESA-N 366.370 2.355 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2ccc3c(c2)OCCO3)ccn1 32931310 LXDJSOWTADGZTP-UHFFFAOYSA-N 350.378 2.277 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(Cl)ncnc32)cc1 1724225 AKLIFWFHHHNJCR-UHFFFAOYSA-N 359.773 2.295 0 40 FEAB O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H]1c2ccccc2C[C@H]1O 79068500 MBKCXUFEPDPRLD-UXHICEINSA-N 362.433 2.372 0 40 FEAB O=C(CCCc1nnc2ccccn12)Nc1nnc([C@@H]2CCCO2)s1 79464764 DICJVIUBFVPIOY-NSHDSACASA-N 358.427 2.394 0 40 FEAB O=C(CCN1C(=O)CCC1=O)NCc1cccc(OCc2ccccc2)c1 53573653 SKLCCQJXLSPUDH-UHFFFAOYSA-N 366.417 2.421 0 40 FEAB COCCNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C)c1 6681763 PEHVPSCWNHSUNE-UHFFFAOYSA-N 354.453 2.234 0 40 FEAB Nc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1 806239 YNLJUIMYQLRCKH-UHFFFAOYSA-N 358.467 2.356 0 40 FEAB Nc1nc(SCCN2C(=O)CCC2=O)nc2sc3c(c12)CCCC3 23105172 VNKJZFIRRFDCEX-UHFFFAOYSA-N 362.480 2.393 0 40 FEAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cnn(-c2ccccc2)c1 10926988 CXQHECBLFIYXLY-AWEZNQCLSA-N 368.462 2.471 0 40 FEAB COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 23556804 UTIYZMWGQMLVLE-GFCCVEGCSA-N 357.362 2.458 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24179099 JTPBSGMZDKRQAT-UHFFFAOYSA-N 374.466 2.184 0 40 FEAB Cc1cnn(CC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1 55177848 HQNSWOAHZDCUHL-UHFFFAOYSA-N 362.433 2.329 0 40 FEAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1 9926892 SRDFDFWRNKJKFX-LSDHHAIUSA-N 364.467 2.302 0 40 FEAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@H]1COCCO1 55844756 BBYSMKGPPYMWGV-KIUWMYQTSA-N 361.829 2.379 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 25357642 VHWPDHZVMSODCJ-BFYDXBDKSA-N 360.454 2.209 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)[C@@H](Oc1ccccc1)c1ccccc1 56677023 NXQWTKBCLFVEHS-FQEVSTJZSA-N 368.433 2.172 0 40 FEAB CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 57290283 UWSICASBBKNSDU-LBPRGKRZSA-N 369.215 2.170 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc2ccccc2s1 10023785 ORXQYKCAWAMVIW-AAEUAGOBSA-N 350.465 2.395 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12625852 NBQNWFWVKYNQQA-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB COCCOc1ccc(NC(=O)NCc2ccc(N3CCCC3)nc2)cn1 58157629 VGQGUXMNZHWYIG-UHFFFAOYSA-N 371.441 2.424 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@H](C)Cc2ccccc2F)nn1)OCC 58228536 WUMDYNHMKXYDCU-CYBMUJFWSA-N 364.421 2.177 0 40 FEAB Cc1cnn(CC2CC2)c1NC(=O)Cc1csc(N2CCCC2=O)n1 58223883 BBZWZKRDVPJYFN-UHFFFAOYSA-N 359.455 2.366 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 48262781 YSRZJGNTHMTZLJ-CQSZACIVSA-N 362.451 2.348 0 40 FEAB COCCn1cc(NC(=O)N[C@@H](c2ccccc2)c2nc(C)no2)cn1 58325930 ROFODAYCVJSAPR-HNNXBMFYSA-N 356.386 2.132 0 40 FEAB O=C(CNC(=O)c1ccccc1)Nc1nc(CN2CCCCC2)cs1 12768622 HSXJLOWADXPOGU-UHFFFAOYSA-N 358.467 2.498 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2CC(C)C)cc1 28456624 ONBJRNBKBUNZTD-CQSZACIVSA-N 350.444 2.064 0 40 FEAB CSCC[C@@H](NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C)C(=O)O 3425801 BEXLEGSMNGQUSD-CABCVRRESA-N 366.483 2.072 0 40 FEAB COCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3505980 FIPOUVVKHBPKPJ-UHFFFAOYSA-N 369.450 2.184 0 40 FEAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(S(C)(=O)=O)cc1 12988432 GDPXGNTYOLUNTM-SJCJKPOMSA-N 373.430 2.049 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)c1 13008035 GWUFYDOXJAFESM-UHFFFAOYSA-N 374.418 2.041 0 40 FEAB CN1CCC(CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 63125597 NUCWBVGCKDCSJJ-UHFFFAOYSA-N 361.305 2.411 0 40 FEAB COC(=O)Cc1sc(NC(=O)CSc2nnc(C)s2)nc1C 13945722 QJAZJZOGHSVZBF-UHFFFAOYSA-N 358.470 2.058 0 40 FEAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1 9216748 KHECZQMOWCZCTH-GOSISDBHSA-N 350.334 2.223 0 40 FEAB NC(=O)c1ccsc1NC(=O)CCCC(=O)NCCc1cccs1 14121490 DAWUVPGTOZVAJQ-UHFFFAOYSA-N 365.480 2.376 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccs1 6583222 XBMZFQVBJXGKEI-UHFFFAOYSA-N 365.842 2.228 0 40 FEAB C[C@@H]1CCc2c(sc3nc(SCCN4CCCC4)n(N)c(=O)c23)C1 19797045 JWIHJQJNIKCKKN-LLVKDONJSA-N 364.540 2.485 0 40 FEAB CCN1CCC[C@H]1CNC(=O)c1nnn(-c2cccc3cnccc23)c1C 66619811 DJNMYFHNMPWHAU-INIZCTEOSA-N 364.453 2.338 0 40 FEAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 9349689 GITPZYVJYMCEAW-HXUWFJFHSA-N 367.380 2.396 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCCO3)N(C)C)cc1 6938686 UVXRTCZARBPPPZ-KRWDZBQOSA-N 356.422 2.499 0 40 FEAB O=C(c1cnn(C(=O)[C@@H]2COc3ccccc3O2)c1)c1ccccc1O 6996984 JWUXRVQATXQXER-KRWDZBQOSA-N 350.330 2.300 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 9451875 MZHABVKCYOUWFO-UHFFFAOYSA-N 354.362 2.375 0 40 FEAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3N3CCCC3=O)ccc2N1 7726702 WEUYFETWSQWYRM-UHFFFAOYSA-N 371.418 2.109 0 40 FEAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 7737069 GZQZVJBJFVZGHB-INIZCTEOSA-N 362.451 2.050 0 40 FEAB CC(C)(C)C(=O)NC(=S)NC1=C[C@@H]2N=C(c3ccncc3)O[C@H]2C=C1 16322703 PMOMCCJENVVISL-KBPBESRZSA-N 356.451 2.086 0 40 FEAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 8325335 ACKHWESUYURRAP-UHFFFAOYSA-N 370.438 2.391 0 40 FEAB COc1ccccc1CN(C)C(=O)CCN1C(=O)COc2ccccc21 18076393 YSWQUGAOIMXVKU-UHFFFAOYSA-N 354.406 2.469 0 40 FEAB CCn1cnnc1CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C 72313655 IYFCSFOJTZVKMY-ZDUSSCGKSA-N 368.482 2.037 0 40 FEAB COc1ccccc1OCCNC(=O)c1cc(-n2cnnn2)ccc1Cl 72403688 YRRVBKAKIJEUBD-UHFFFAOYSA-N 373.800 2.133 0 40 FEAB COc1cc(C(=O)N(C)Cc2ncon2)cc(OC)c1Br 95465047 CBMWEKBLFFHYFI-UHFFFAOYSA-N 356.176 2.122 0 40 FEAB O=C(c1cnc(-c2ccccc2)nc1)N(CCO)CCOCC(F)(F)F 89851375 GMGFSLWQEMJABE-UHFFFAOYSA-N 369.343 2.157 0 40 FEAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058499 XDSNOFOTBQUVAA-ZOBUZTSGSA-N 365.838 2.309 0 40 FEAB O=C1C(CS(=O)(=O)Nc2ccccc2Cl)=NC(=O)n2cccc21 32611912 CEWISHHEYAHWNT-UHFFFAOYSA-N 351.771 2.189 0 40 FEAB COc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc(OC)c1 32124089 KMQDREOQHWNBCR-INIZCTEOSA-N 369.377 2.433 0 40 FEAB biogenic CN(C)CC(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 72346178 BSHPIGVVULMIQH-AWEZNQCLSA-N 357.433 2.133 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc2c(c1)OCCO2 39611627 IIMDWIDCVQJBDP-UHFFFAOYSA-N 359.353 2.412 0 40 FEAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339021 XOIFHGZGMWBMCE-WYSJICDVSA-N 372.465 2.484 0 40 FEAB CS(=O)(=O)N[C@H](CC(=O)NCc1ccccc1)c1ccc(F)cc1 225945059 FGXAFZWVPJWUTR-MRXNPFEDSA-N 350.415 2.123 0 40 FEAB Cc1ccc(CS(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224564319 DKJOOFUGXKRLIZ-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 49544078 KJRRQDPOPKCQHM-UHFFFAOYSA-N 358.785 2.219 0 40 FEAB CO[C@]1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCSC1 96097634 VZCSPUMDWUMKMH-KRWDZBQOSA-N 371.524 2.050 0 40 FEAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccn1)CC2 96260337 RXEXVUNFQKJPAV-UHFFFAOYSA-N 367.497 2.282 0 40 FEAB CN(C)C(=O)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96267078 RFPFZPULBZUVAN-UHFFFAOYSA-N 361.409 2.229 0 40 FEAB O=C(O)CCN(C(=O)[C@H]1CSc2ccccc2O1)C1CCOCC1 583650604 POBWWMPNNCXJRI-CQSZACIVSA-N 351.424 2.022 0 40 FEAB COc1ccc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)cn1 96112160 QUFARTTXVHATAJ-HIFRSBDPSA-N 357.389 2.101 0 40 FEAB biogenic,in-vitro CNc1cc(CCNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2ccncc2)n1 257218487 DDHZGZIEVOTTSO-JCNLHEQBSA-N 369.469 2.444 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4cnc(C)cn4)C[C@H]23)cc1 257281909 ORKTVKUYRRWNGZ-QWFCFKBJSA-N 366.465 2.354 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)n1 257205159 AXXBNLJZLLJPTH-GOSISDBHSA-N 355.442 2.302 0 40 FEAB CC(=O)N1CCC[C@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 257247127 IXQFQLOEWXBYTR-HNNXBMFYSA-N 359.426 2.313 0 40 FEAB O=C1NCCN1c1ccc(Cl)c(NS(=O)(=O)C[C@@H]2CCCCO2)c1 265964606 ZKTPEXUZQVGWIF-LBPRGKRZSA-N 373.862 2.180 0 40 FEAB CO[C@@H]1CN(C(=O)CCOc2ccccc2C(C)C)C[C@H]1c1cnn[nH]1 623032472 YPECORUVBKSOPO-MAUKXSAKSA-N 358.442 2.338 0 40 FEAB O=C1CCN(C(=O)CC2CCN(CC(F)F)CC2)c2cnccc2N1 1775961919 IPLKDOMOMPBAHK-UHFFFAOYSA-N 352.385 2.124 0 40 FEAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575422607 MEERBXWUNOSGKL-INIZCTEOSA-N 359.513 2.200 0 40 FEAB NC(=O)c1cc([C@@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)[nH]n1 585273219 YLXNASBKIRQSOO-LLVKDONJSA-N 358.467 2.469 0 40 FEAB CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1C 585288288 UBXVYWPSGYLGFW-XAUMDUMWSA-N 355.438 2.040 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC(C)C)C[C@@H]23)c1 585106097 LLHPYFYKYGTSJU-MOPGFXCFSA-N 369.509 2.304 0 40 FEAB COc1ccc(CCC(=O)NCC2CCN(c3cnccn3)CC2)cc1 70930425 CWEUSJSLMQYFRG-UHFFFAOYSA-N 354.454 2.451 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 47700041 BNTLCJLXSXBYDD-INIZCTEOSA-N 366.527 2.327 0 40 FEAB O=c1c2ccccc2nnn1CN1CCN(c2cccc(Cl)c2)CC1 57395059 MDTGNGCVTRSIHZ-UHFFFAOYSA-N 355.829 2.225 0 40 FEAB O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc2c(c1)CCCC2 48439373 QEWOIWSDLKJOQB-UHFFFAOYSA-N 360.483 2.362 0 40 FEAB COc1ccc(Cl)c(NNC(=O)C2CCN(c3cnccn3)CC2)c1 75160893 JOGCXEVTIPDWBS-UHFFFAOYSA-N 361.833 2.498 0 40 FEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 5265593 YYUWCQAXXGEKBB-CQSZACIVSA-N 350.422 2.418 0 40 FEAB O=C(CN1CCSC1=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 5277920 RJFXTZZEVRHJJT-UHFFFAOYSA-N 359.403 2.494 0 40 FEAB O=C(O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1 5595460 ZMOVXGJMUVPNOA-UHFFFAOYSA-N 366.406 2.237 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 12186826 NJRADGMOMYUKRY-ZDUSSCGKSA-N 372.874 2.024 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Br)cc1 12780208 DJZQJHHKDQXDOC-UHFFFAOYSA-N 365.231 2.172 0 40 FEAB COc1ccc(C(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3247002 JJMXKKFBKKCYQD-UHFFFAOYSA-N 369.295 2.302 0 40 FEAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 1565556043 VQVDEWDMXLZPAB-UHFFFAOYSA-N 366.412 2.333 0 40 FEAB O=C(CCc1ccccc1)NCCn1ncc2c(N3CCCC3)ncnc21 11665986 SVHNNFMXHHVHQS-UHFFFAOYSA-N 364.453 2.176 0 40 FEAB Cc1cc(OC2CN(C(=O)c3ccc(Br)o3)C2)cc(=O)o1 206960369 LVCBDKXJEBOXOD-UHFFFAOYSA-N 354.156 2.207 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCc2nc(C3CCNCC3)ncc2C1 19293739 FPTJXYLABNPDMA-UHFFFAOYSA-N 354.429 2.210 0 40 FEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 40135689 LFRJIDRXGURCIZ-HOCLYGCPSA-N 373.497 2.216 0 40 FEAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 40108108 COIMQFLRASHUKO-DLBZAZTESA-N 371.481 2.050 0 40 FEAB Cc1cnc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cn1 40113886 KWHSZIJKVSFPDK-UHFFFAOYSA-N 370.428 2.401 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)c2ccccc2O1 40122747 WMGPIAZRPWSAIH-INIZCTEOSA-N 356.426 2.100 0 40 FEAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NCc3ccccc3)cnc12 32096799 XRPLWQUCGVURSY-UHFFFAOYSA-N 362.389 2.471 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccco3)CC2)cc1OC 32851066 AWFWUNHXUKIWEU-HNNXBMFYSA-N 373.453 2.442 0 40 FEAB COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1420713 KHNDFFYHELWSII-GFCCVEGCSA-N 358.435 2.406 0 40 FEAB Cc1cccc(C(=O)OCCN(C)C2=NS(=O)(=O)c3ccccc32)c1 1461785 JJMJNVFAPFJKKJ-UHFFFAOYSA-N 358.419 2.233 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 79970269 FXAYLELTPHUQBX-QGZVFWFLSA-N 357.414 2.342 0 40 FEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccncc1 22621812 SYYZOZLBWSVNJI-ZFWWWQNUSA-N 367.405 2.083 0 40 FEAB Cc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)N1CCCC1)CCS3 4973408 SHSVTFSPVOIAMF-UHFFFAOYSA-N 368.462 2.388 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NC(=O)NC(C)(C)C 6642531 LVSGTDUWDYAKDC-UHFFFAOYSA-N 356.806 2.195 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)c(C)s1 6680031 MNPZGDIWCWFVJX-UHFFFAOYSA-N 368.436 2.004 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)c1 7940141 QICRPEYAMKMGHU-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB CN(CC(=O)N(C)C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 57752665 AMHFMQWINCQQFG-UHFFFAOYSA-N 356.451 2.172 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCC(F)(F)F 8157086 IOAGHONGBNWFEL-UHFFFAOYSA-N 360.357 2.187 0 40 FEAB Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 42605161 NHYLBFXOMKDSHL-CYBMUJFWSA-N 373.409 2.382 0 40 FEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1 24753988 TUYROECOTXBIAW-UHFFFAOYSA-N 358.316 2.381 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C 9833651 OZSKNDNWRDOHMW-UHFFFAOYSA-N 358.181 2.165 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1C 9974246 CTPWGLKWTVKVGV-CQSZACIVSA-N 368.499 2.319 0 40 FEAB Cc1csc(=O)n1CCCC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 26585148 KNPUQURDFBHHIX-TZMCWYRMSA-N 354.472 2.237 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C=O)c1 3282292 AYSSONFAIOLBSF-UHFFFAOYSA-N 358.346 2.321 0 40 FEAB CC1=C/C(=C2\C(=O)NC(=O)N=C2O)C=C(C(F)(F)F)N1C[C@H]1CCCO1 57478219 XRLLCWHBZQCEOX-SNVBAGLBSA-N 371.315 2.334 0 40 FEAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCCc1ccc(N(C)C)cc1 58392777 WXUYSUQKDDTSAQ-CYBMUJFWSA-N 374.514 2.304 0 40 FEAB NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1 28018698 CPPQTWUHIDZMCF-UHFFFAOYSA-N 359.817 2.084 0 40 FEAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCC1)OCO3 2239604 UAHJOHWQUNVFHQ-UHFFFAOYSA-N 359.382 2.108 0 40 FEAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606911 CAMYFYQVIZVBSV-AWEZNQCLSA-N 356.513 2.407 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)no1 3492856 OZQZYVJKEGMCAU-UHFFFAOYSA-N 350.791 2.343 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2)c2ccccc2O1 12913190 PQPPOIFBDDNABE-KDOFPFPSSA-N 354.406 2.303 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccc2c(c1)OCCO2 12978843 BULBBZUNMZWQSG-CYBMUJFWSA-N 361.442 2.047 0 40 FEAB COc1ccc(CNC(=O)c2cc(OC)c3c(c2)OCCO3)cc1C(=O)O 13393175 WRZFFTNKXOIBSO-UHFFFAOYSA-N 373.361 2.103 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1Cl 71284103 WPBKAIVPKRLXPC-STQMWFEESA-N 354.790 2.220 0 40 FEAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 6367373 CYHUOCUGMXNYDQ-UHFFFAOYSA-N 361.423 2.257 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(Cc2ccccc2)CC1 14051880 VTOHVLVYPTVFIP-UHFFFAOYSA-N 361.445 2.458 0 40 FEAB Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 65608114 QLNDXJLIGBNQFB-QZTJIDSGSA-N 359.470 2.072 0 40 FEAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 20035292 SIWZAIUKKAZUFD-QGZVFWFLSA-N 353.894 2.251 0 40 FEAB CC[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 5665697 VDOYQVVEAVPUFH-JTQLQIEISA-N 352.378 2.386 0 40 FEAB O=C(NCC1CC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 67334592 GFALJJMDXRNIRK-UHFFFAOYSA-N 354.410 2.245 0 40 FEAB Cc1noc(C(C)C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7412183 XTCXGCZEOSCCNF-NSHDSACASA-N 359.382 2.389 0 40 FEAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cn2c1 16209878 JKGWOQFFLCDHSR-UHFFFAOYSA-N 373.434 2.250 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CC1 8034787 JXNPZFHQWDGTMT-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB CCc1n[nH]c(NC(=O)/C=C(/Cc2ccccc2)Nc2nc(CC)n[nH]2)n1 19819317 NVZBWDALKHZHNC-QBFSEMIESA-N 366.429 2.225 0 40 FEAB Cc1ccc(Cn2ncc([C@](O)(c3nccn3C)C(F)(F)F)c2N)s1 8725311 KQYJLBCWXYPGBF-AWEZNQCLSA-N 371.388 2.415 0 40 FEAB COCCCOCCN(C)C(=O)c1cccnc1OCC(F)(F)F 95459647 KEDSRZBABUQSMY-UHFFFAOYSA-N 350.337 2.148 0 40 FEAB O=C(O)c1cccc(C(=O)Nc2cccc(OCCn3cccn3)c2)n1 95424315 PPGDZOLQGOIHIP-UHFFFAOYSA-N 352.350 2.308 0 40 FEAB O=C(NCCCO)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 98077031 HDVPHAXETHMMPT-UHFFFAOYSA-N 365.783 2.469 0 40 FEAB CN1CCN([C@H](c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1 20098544 HTFRRZILHFSYGV-GOSISDBHSA-N 365.485 2.313 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1Cc1ccccn1 306124187 BISTXZVPUYIWOV-HNNXBMFYSA-N 362.437 2.180 0 40 FEAB O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306132625 LOBCSSATWOCYEZ-FPOVZHCZSA-N 367.449 2.282 0 40 FEAB COc1cccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)cc2)c1 22276462 HDHOAUHXDRSFEW-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CCCCCC1 408974946 GKUMBKVUQRQDGO-UHFFFAOYSA-N 350.378 2.293 0 40 FEAB CC(C)n1cc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1 306144226 YZRCAPYOHTYCBM-MRXNPFEDSA-N 366.473 2.195 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCN(C)C3)cc1 72373897 FTTWFVKNANOKQG-QGZVFWFLSA-N 369.469 2.028 0 40 FEAB Cc1cc(C)c2cc(C(=O)NC[C@@H]3CCn4ncc(C(N)=O)c4C3)[nH]c2c1 565612000 FPQDRVQUWIKLSR-CYBMUJFWSA-N 365.437 2.073 0 40 FEAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)C(=O)O)cc1 218524293 HMHPTOJAENQHEU-SCTDSRPQSA-N 359.447 2.273 0 40 FEAB CCOC(=O)Cc1ccccc1-c1nn2c(CC(=O)OCC)nnc2s1 41127032 WAXHGDVREXDTFA-UHFFFAOYSA-N 374.422 2.064 0 40 FEAB COc1ccc(C(C)C)cc1S(=O)(=O)NCCSc1nc(C)n[nH]1 223012495 HQGWAIWNUCUVSL-UHFFFAOYSA-N 370.500 2.316 0 40 FEAB CN1CCN(CCCCNC(=O)c2ccc(Br)cc2F)CC1 41361604 MPBFYYNLZHHGGL-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB Cc1nc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cs1 225779348 FXDBLLATPONNMB-UHFFFAOYSA-N 360.826 2.311 0 40 FEAB CCN(CC(=O)N(C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 226053997 HNUYAAWPHXYGSU-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccc(F)cc2)cc1 225318652 QAVZGOAWRXHOBI-UHFFFAOYSA-N 353.371 2.110 0 40 FEAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCSc3ncn[nH]3)cc2)n1 225912681 GZFPZEXQCWQEAQ-UHFFFAOYSA-N 369.454 2.477 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CN1Cc1ccccn1 96051791 OQQBMHCZVQHOGJ-FQEVSTJZSA-N 369.513 2.318 0 40 FEAB Cc1ccnc([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257324674 WPRFJFJKFXXKHJ-KRWDZBQOSA-N 351.410 2.125 0 40 FEAB CC[C@@H](C(=O)O)N(C)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O 1603492973 YKQHASLXJBHFLJ-AWEZNQCLSA-N 358.398 2.478 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 284963777 KINBRAVZVDASAQ-SOLBZPMBSA-N 372.469 2.434 0 40 FEAB COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccccc1)OC 96385141 AMOTYTYCXBJDND-KSSFIOAISA-N 356.422 2.376 0 40 FEAB O=C(N[C@H]1CCc2c[nH]nc2C1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 633113946 SJMHSILORXYGQS-MJEQTWJJSA-N 362.380 2.375 0 40 FEAB COC[C@@H](C)n1c(SC[C@]2(O)CCCOC2)nc2ccccc2c1=O 656692599 BXZIDIPGXAJNPR-ACJLOTCBSA-N 364.467 2.238 0 40 FEAB CNC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 677371026 DDJHMCPZPCULMS-CVEARBPZSA-N 367.877 2.184 0 40 FEAB C[C@H]1Cn2nc(C(=O)Nc3ccc(O)nc3)cc2CN1C(=O)OC(C)(C)C 1306836040 RMDYGHSJJPNKAO-NSHDSACASA-N 373.413 2.375 0 40 FEAB Cn1ccc2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)OCO4)ccc21 390831768 USJBLVSPKRBCQS-UHFFFAOYSA-N 365.389 2.204 0 40 FEAB CC(C)C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 576881312 ZBFJGQIICUOPSS-OAHLLOKOSA-N 374.890 2.146 0 40 FEAB CO[C@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1ccccc1F 585278465 DZLAUNSTRYJWNF-PBHICJAKSA-N 359.401 2.350 0 40 FEAB CN(Cc1ccccn1)C(=O)C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 585095801 LUEXTHIQMQRLHC-SFHVURJKSA-N 367.453 2.010 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56490237 KDOJCXPHFYMQTM-LJQANCHMSA-N 373.453 2.173 0 40 FEAB COc1ccccc1OCCNC(=O)CN1C(=O)CSc2ccccc21 57702056 QJBCNUQIUNGAQF-UHFFFAOYSA-N 372.446 2.329 0 40 FEAB Cc1ccn(-c2ccc(C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)cc2)n1 584414633 BAFSMLWYLFTUSE-INIZCTEOSA-N 362.437 2.573 0 40 FEAB Cn1cnc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615120301 JZWSJYQRLQMUQH-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 5192719 CSNOQIKTZYXTMJ-CQSZACIVSA-N 368.389 2.230 0 40 FEAB COc1ccccc1CNC(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2 12114487 NQAAWPWFIRCDSB-QRTHJKPMSA-N 370.449 2.419 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnn(CC)c3C)cc2n1 12276540 PHLDEJRFTITKCM-MRXNPFEDSA-N 368.441 2.499 0 40 FEAB O=C(C[C@@H]1CCCCO1)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268268 ZTFZAXJTHMTIQQ-KRWDZBQOSA-N 365.437 2.409 0 40 FEAB COc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)c1 13582880 SEANKHWOBVPOQD-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 13632791 MWLOMEODXVISNB-GASCZTMLSA-N 367.515 2.156 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 14050186 PJWKWBUUBHIHFM-AWEZNQCLSA-N 366.483 2.369 0 40 FEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)[nH]c(=O)c1C 19555480 RCOBOFSDVMJAIF-AWEZNQCLSA-N 355.394 2.022 0 40 FEAB COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19564430 PRBYFCKMKWGGHK-SFHVURJKSA-N 352.438 2.037 0 40 FEAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccc(-c2cnn(C)c2)cn1 19691777 GYUQBFADEGYQSW-QGZVFWFLSA-N 363.487 2.206 0 40 FEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N2CCOCC2)cc1 19717327 RSEIGKPUVKBGNF-CQSZACIVSA-N 356.470 2.235 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cnn(C)c2)C1 643913594 CJMIRLDESKQDKG-ZDUSSCGKSA-N 370.482 2.116 0 40 FEAB C[C@]12CCC[C@](CO)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 257410938 DWSHSMIESAAXBC-XSINAMBDSA-N 352.471 2.180 0 40 FEAB biogenic,in-vitro COc1ccnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1 1888864357 VDOOIBOBJSZKLQ-UHFFFAOYSA-N 362.384 2.417 0 40 FEAB Cc1csc(-c2cc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)ccn2)n1 2037666401 WQXPVTUIMVEAPT-CQSZACIVSA-N 366.512 2.499 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978307 OXBCYEDALFRSJK-APWZRJJASA-N 365.433 2.284 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)c1 4250378 CVCUAHCDOPSAGE-UHFFFAOYSA-N 357.439 2.382 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940779 ZHMROBYQUBUALD-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1cccnc1 9001457 HCLRJVMHXQAEJI-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB CN([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)S(=O)(=O)C1CC1 2086889286 BKCFZIUEJGXWCL-LLVKDONJSA-N 363.405 2.493 0 40 FEAB O=C1C[C@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1CCc1ccccc1 367956710 MJQGJWIGASBJJY-KRWDZBQOSA-N 369.465 2.332 0 40 FEAB COc1ccc(/C=C\C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OC 10255708 ZFNYHQGCLZGCOD-YHWKNFMLSA-N 352.390 2.160 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc(OC)c2c(c1)OCCO2 40040684 LAHCLCOPLHRZIN-UHFFFAOYSA-N 369.373 2.456 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 30983986 VXKSOXZSFVSIFB-UHFFFAOYSA-N 372.454 2.159 0 40 FEAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(=O)n(C)n3)s2)cs1 32837332 STEGUZCSJRXEFC-UHFFFAOYSA-N 360.464 2.246 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCc1cccnc1OCC(F)(F)F 33108808 BWZCYPHCTHONRI-UHFFFAOYSA-N 356.348 2.232 0 40 FEAB CN1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)c2ccc(F)cc21 78191758 QRIGEPQFDVWDIJ-UHFFFAOYSA-N 366.400 2.217 0 40 FEAB O=C(Nc1cc(F)ccc1F)N1CCC(C(=O)N2CCOCC2)CC1 78521907 OVHPWENOVVESJK-UHFFFAOYSA-N 353.369 2.068 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 22390463 SSKWVFDAMPLKAN-UHFFFAOYSA-N 365.436 2.486 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1 782993 PRJWQALZZPGGKO-UHFFFAOYSA-N 372.396 2.441 0 40 FEAB O=C(CN1CCc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7348116 PZKCXVRPDLAUOR-KRWDZBQOSA-N 362.495 2.007 0 40 FEAB COc1cccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 23946604 UUYGWDYHHNYHPZ-HXUWFJFHSA-N 367.405 2.283 0 40 FEAB Cc1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cs1 24468630 HNOHYHHYTGTGTM-UHFFFAOYSA-N 351.497 2.099 0 40 FEAB O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 55408469 NHHNVIFGYCMSMZ-JKSUJKDBSA-N 368.886 2.097 0 40 FEAB COc1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc(OC)c1 103008924 BYPOAFSTBQKCOB-IYBDPMFKSA-N 360.410 2.208 0 40 FEAB Cc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2C)CC1 20418403 MZVFDTIYUFIGJT-UHFFFAOYSA-N 365.477 2.491 0 40 FEAB O=C(CCNc1ncccn1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 58183755 KFPJEWDAPPLQDX-GOSISDBHSA-N 354.410 2.317 0 40 FEAB Cc1nc(C2(NC(=O)CNC(=O)Cc3cccc(F)c3)CCCCC2)no1 58210436 AYODESFEYMVDRW-UHFFFAOYSA-N 374.416 2.152 0 40 FEAB O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3ccccn3)nnc2s1 10312435 GIZGLRPYUDQBOG-UHFFFAOYSA-N 362.374 2.044 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCCN(Cc2ccccc2F)CC1 58331586 DQNFVKMDWZLMIP-NVXWUHKLSA-N 361.461 2.022 0 40 FEAB Cc1ccnc2nc(C(=O)OCc3noc(-c4ccc(Cl)cc4)n3)nn12 29376721 WRBYKKDRSJUFPB-UHFFFAOYSA-N 370.756 2.493 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12882987 KNPPPGUSYYBSOS-UHFFFAOYSA-N 351.406 2.256 0 40 FEAB COc1cccc(C(N)=O)c1OCC(=O)N[C@@H]1CCCc2ccccc21 12876530 YQRUWQXMTMNTQT-MRXNPFEDSA-N 354.406 2.367 0 40 FEAB COC(=O)C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OC 12857465 QOAOYNQBNZLPOD-LBPRGKRZSA-N 353.440 2.242 0 40 FEAB CC(C)C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1 12860950 CPHMSTKELRDMDF-HNNXBMFYSA-N 360.907 2.365 0 40 FEAB CCNc1nc(NCC)nc(Oc2ccc(=O)n(Cc3ccccc3)n2)n1 27679516 SYQLWOAKPPLOMB-UHFFFAOYSA-N 367.413 2.133 0 40 FEAB CN1N=C(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CCC1=O 8772275 AKVCTVIDKRIPAO-UHFFFAOYSA-N 366.425 2.218 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2NC1=O 12982302 OQVGTBGFEWRQKV-MGPLVRAMSA-N 352.346 2.126 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 8850879 ZUDNMBWHTLPLOJ-FMIVXFBMSA-N 363.377 2.491 0 40 FEAB CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C 4035758 LZXVMXBVAXOHJU-UHFFFAOYSA-N 358.394 2.477 0 40 FEAB O=C(COC(=O)Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 6384205 NYMXYFPGKIUBQX-UHFFFAOYSA-N 366.373 2.299 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2cccc(OC)c2)c2nn[nH]n2)cc1 5484204 ZHQLKOFWFANEEA-MRXNPFEDSA-N 353.382 2.182 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CN2CCCCCC2=O)c1 5538803 UKGXZCSWRSEKOD-CQSZACIVSA-N 360.410 2.162 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(C)s2)ccc1F 14715895 PXJMOBNZAXDNLU-UHFFFAOYSA-N 372.447 2.268 0 40 FEAB CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC[C@H](O)C3)c2c1 4883132 NLARABIUVYWYLX-NSHDSACASA-N 356.469 2.172 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc1 7756928 INJKXJCWKROVFD-KXKDPZRNSA-N 353.374 2.443 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C[C@@H]1C=CS(=O)(=O)C1 16446922 SHYCCNDCIHQVMI-NEPJUHHUSA-N 371.842 2.467 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247459 PQPLCVZOSHCRDX-HNNXBMFYSA-N 354.406 2.373 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)s1 8230332 KVUXXNJDRTZWSW-UHFFFAOYSA-N 369.855 2.459 0 40 FEAB CC(=O)NCCN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 8507827 AKOIYACVNINTSB-CPNJWEJPSA-N 363.417 2.249 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 306137912 RJYUXWCFTXIZMT-KRWDZBQOSA-N 359.470 2.255 0 40 FEAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cc(Cl)ccc1Cl 95976442 CKLJROHJBKCXCA-ZDUSSCGKSA-N 356.209 2.160 0 40 FEAB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1 4544007 BRNNQLLASRVTMB-GOSISDBHSA-N 357.406 2.321 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)CC)c1 408699734 YWGKJAQPIQRURJ-UHFFFAOYSA-N 358.460 2.139 0 40 FEAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1nccs1 71283484 RXSJJAUCSBARSQ-UHFFFAOYSA-N 371.418 2.015 0 40 FEAB Cc1occc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 71812537 GQKNVRYOHUJPBN-UHFFFAOYSA-N 350.440 2.346 0 40 FEAB COc1ccccc1CC(=O)N[C@@H](C)Cn1nc2c(cc1=O)CCCCC2 72325001 ROPMISSKNIOKNI-HNNXBMFYSA-N 369.465 2.268 0 40 FEAB NC(=O)Cc1csc(NC(=O)CCC(=O)c2ccc(Cl)s2)n1 32882520 SVQDGSDSQMKDRP-UHFFFAOYSA-N 357.844 2.487 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc21 47081069 BDQLCNFICCCRMR-RMKNXTFCSA-N 352.350 2.437 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2Cc3ccccc3C2)n1 225900156 LYZYBSQRCAPWNV-UHFFFAOYSA-N 373.482 2.328 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc2ncccc12 195408876 BOLBRZWHNIBFRJ-NMAAHNCWSA-N 373.412 2.226 0 40 FEAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 223646341 YUSNVSNSNUQHNT-SJORKVTESA-N 358.467 2.264 0 40 FEAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(c1ncc(F)cn1)CC2 96254252 WKTZBABMJKMTDW-UHFFFAOYSA-N 357.437 2.389 0 40 FEAB Cc1nc(CN2CCC[C@]3(COCCN(c4ncccn4)C3)C2)cs1 96229113 ZJPOBEUQGCBQQF-SFHVURJKSA-N 359.499 2.361 0 40 FEAB O=C(N[C@H]1CCC12CCN(C(=O)c1ccsc1)CC2)c1cnccn1 96051512 JEECRWMZCRPHLL-HNNXBMFYSA-N 356.451 2.353 0 40 FEAB CC(C)OC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101367 XUDVSBBARMDEJE-WRWLIDTKSA-N 373.453 2.188 0 40 FEAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccccc1F)CC2 247891498 UBRDXTMGZWAWLR-CQSZACIVSA-N 357.447 2.422 0 40 FEAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253595980 LQNLFZZVNGUMCJ-IEARMKQFSA-N 371.481 2.009 0 40 FEAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257251835 JSLWMAOKRGWWKX-JTQLQIEISA-N 355.366 2.029 0 40 FEAB CC(C)[C@@H]1COC(=O)N1c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 257229628 FYVDZKGUCBQIHY-HNNXBMFYSA-N 367.471 2.202 0 40 FEAB CCOc1ncccc1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1 257228744 FVAUUHQJWCUHRM-CQSZACIVSA-N 355.442 2.407 0 40 FEAB COc1cc(CNC(=O)Nc2cccc([S@](C)=O)c2)cc(OC)c1O 609808213 LQVLPHXPMRWGLH-VWLOTQADSA-N 364.423 2.469 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 675828659 XEUCEAFKHQZSTQ-FQEVSTJZSA-N 374.444 2.462 0 40 FEAB Cc1nnc(CNC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 679379800 PTLXXRYUCAVGQH-JTQLQIEISA-N 353.785 2.249 0 40 FEAB Cc1nnc(CNC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 679379801 PTLXXRYUCAVGQH-SNVBAGLBSA-N 353.785 2.249 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(C)c1)C2 585102868 LMARQMZTUPAXBR-MRXNPFEDSA-N 352.500 2.116 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 630099045 WYTLSGKGPSMIKF-YRGRVCCFSA-N 357.328 2.492 0 40 FEAB COc1ccc(CC(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCCC3)cc1 12084927 NQHXDQPTAHBSLG-HNNXBMFYSA-N 369.465 2.268 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3C[C@@H]3c3ccccc3)ccc21 12241711 DPEASHACYDRVEK-ZIAGYGMSSA-N 360.460 2.434 0 40 FEAB CNC(=S)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C 12654333 QNTGZLLPYIAROT-UHFFFAOYSA-N 350.444 2.469 0 40 FEAB O=C(CCC1CCCC1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268116 KMDROKXSESXKFY-UHFFFAOYSA-N 353.426 2.494 0 40 FEAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 19579233 IUENOPJZAAYGBH-QGZVFWFLSA-N 355.438 2.369 0 40 FEAB C[C@@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)C1CC1 19750787 BLNITWBULWCLGF-GFCCVEGCSA-N 357.385 2.154 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O 32098870 ZPDUEFCWDPJFBV-KGLIPLIRSA-N 364.398 2.233 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2ccc(O)nc2)C3)nc1 1888847468 HMOLCOCNPAUAGA-KXBFYZLASA-N 354.410 2.207 0 40 FEAB Cc1ccnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888881929 SJPMCBMXLBHELF-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(Cc4nc(C)no4)CC3)cnc2c1 1849323828 JGUXBWGPJPGSCY-UHFFFAOYSA-N 369.425 2.009 0 40 FEAB O=c1c2occc2ccn1CCNS(=O)(=O)c1cccc2cccnc12 238941111 VZRWWTUGPRJABJ-UHFFFAOYSA-N 369.402 2.121 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)o1 1614934112 MYARTZHIMNPELK-GOSISDBHSA-N 359.451 2.213 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)Nc1cccc(F)c1 12440040 OHDLNGNBYRWACX-UHFFFAOYSA-N 372.381 2.404 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CC(C)C)C1 2055747280 UDRSMVSYEYZFKP-IBGZPJMESA-N 365.449 2.017 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc2nsnc2c1 38630276 DMHHKQOUBLVJTD-HNNXBMFYSA-N 358.423 2.088 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19293736 JMCHQEVWHMBVHZ-HNNXBMFYSA-N 354.429 2.210 0 40 FEAB Cc1cccc(N2CCN(CCCNC(=O)Cn3nc(C)cc3C)CC2)c1 40082465 VREZNHMKFVMCNJ-UHFFFAOYSA-N 369.513 2.137 0 40 FEAB C[C@@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 50140944 ANTTWPIUAZKWSG-ZDUSSCGKSA-N 370.388 2.068 0 40 FEAB Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)on1 32385273 PYROKOOZCLXYKK-JTQLQIEISA-N 358.803 2.047 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)s1 21348543 OPOSOGYTDXOUTM-IACUBPJLSA-N 366.483 2.413 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O 21559178 VOGXQEPANLILRY-FOIQADDNSA-N 354.406 2.300 0 40 FEAB O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815842 YTUKFJZLZPALBE-UHFFFAOYSA-N 370.471 2.143 0 40 FEAB COC(=O)c1sc(NC(=O)CSc2cc(C)nc(C)n2)nc1C 12016843 DQWCWEXGFAJNOK-UHFFFAOYSA-N 352.441 2.376 0 40 FEAB CN(C)C(=O)N1CCC(c2nc(CN3CCc4ccccc43)no2)CC1 79101542 TYIQWHIMFGJBDI-UHFFFAOYSA-N 355.442 2.493 0 40 FEAB COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C 4355309 RENNHBDEIKBNLM-UHFFFAOYSA-N 350.444 2.207 0 40 FEAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505177 NRQZDSYGYWPCBS-INIZCTEOSA-N 353.465 2.038 0 40 FEAB CCOC(=O)COc1ccccc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 6955113 YXRVPOOQLLYRLS-JYRVWZFOSA-N 363.395 2.273 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2noc(-c3ccccc3)c2c1 7441040 GSWYATVOGRKVTO-LLVKDONJSA-N 367.361 2.496 0 40 FEAB COc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102087979 KCGNBHKAVIFZKA-AUTURXRWSA-N 366.417 2.077 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 10366333 AMUVZMGVKINNGU-NSHDSACASA-N 362.879 2.275 0 40 FEAB CC(C)CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 42379871 GXFVTUDDCCKARR-UHFFFAOYSA-N 369.868 2.399 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 8476042 FCOBHTGJBNIFKD-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(-n2ccnc2)cc1 23889753 YSRCFPUWCRPEIK-IAGOWNOFSA-N 366.421 2.376 0 40 FEAB CCN1C(=O)C(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O 23990841 ODBPZLPFJPJWSA-UHFFFAOYSA-N 372.450 2.244 0 40 FEAB Cc1noc(COC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)n1 25448324 LEEZTOLCOZSXOI-UHFFFAOYSA-N 360.757 2.243 0 40 FEAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](C)C(=O)N3CCCC3)o2)cc1 58440785 LEKPZHRBQSVFHM-CQSZACIVSA-N 356.426 2.105 0 40 FEAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1 57352513 BLOOXJMUZBDDFD-LBPRGKRZSA-N 363.364 2.343 0 40 FEAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 12535744 QEOJEBRRICVUTG-CQSZACIVSA-N 371.462 2.458 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@@H](N(C)Cc3cn(C)nc3C)C2=O)cc1 101622819 HYTAMUXYFIWXJB-GOSISDBHSA-N 370.453 2.281 0 40 FEAB CCOC(=O)NC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 58159996 NTSBVUVMFYXFCZ-CYBMUJFWSA-N 351.422 2.041 0 40 FEAB Cc1cnc2c(S(=O)(=O)NCCSc3nccn3C)cccc2c1 12602219 UCBQWQLAFDSEJL-UHFFFAOYSA-N 362.480 2.347 0 40 FEAB CC(C)[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 48263813 AKTNBUDUHHXXHI-QGZVFWFLSA-N 353.426 2.034 0 40 FEAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 12766232 DRAMSTKRRLEEAT-UHFFFAOYSA-N 363.439 2.450 0 40 FEAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2cccs2)o1 3346125 MMZZNLNSPJOXCP-UHFFFAOYSA-N 355.441 2.350 0 40 FEAB Cc1cc(C)n2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)nc2n1 3371250 QXPNMWMEIODHDT-UHFFFAOYSA-N 364.453 2.320 0 40 FEAB C[C@H](SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)O 12813877 IGQUVCLTMUCYKD-AAEUAGOBSA-N 351.424 2.328 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3459906 JWNIDZGFIHZOTA-FQEVSTJZSA-N 365.389 2.295 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(S[C@H]3CCCCNC3=O)nnc12 12990966 OZJFFRXKCRKREX-AWEZNQCLSA-N 371.466 2.215 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)ccc1C 12970137 FLFITOXQSRZROZ-UHFFFAOYSA-N 363.391 2.305 0 40 FEAB CC[n+]1nn(-c2cccc(OC)c2)c(O)c1C(=O)Nc1cccc(OC)c1 5274776 XGOLQTMEQWVYCC-UHFFFAOYSA-O 369.401 2.155 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 14254173 QHDUMHRZWLAVJF-NSHDSACASA-N 365.407 2.472 0 40 FEAB Cn1c(SCCOc2ccc(F)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 14228203 BWIHMFHCBVDZLL-LLVKDONJSA-N 371.459 2.027 0 40 FEAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1 4971776 WQNSGGHEJJRONE-UHFFFAOYSA-N 350.382 2.060 0 40 FEAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 7060087 VZYYWVKFJOZKRH-UHFFFAOYSA-N 374.462 2.230 0 40 FEAB C[C@H](SCc1ccc(F)cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 15492338 CYQKJIHQDWCUOF-CABZTGNLSA-N 365.879 2.404 0 40 FEAB O=C(c1ccnc(Cl)c1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005367 NZQGCPDJCFUPIY-CQSZACIVSA-N 371.890 2.202 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc[nH]c1=O 21914776 JDRHMEKBGXVVIZ-UHFFFAOYSA-N 354.193 2.392 0 40 FEAB O=C1NCCN(C(=O)c2ccc(Br)o2)[C@H]1c1cccs1 72303146 COQPGOWAVZUHPM-NSHDSACASA-N 355.213 2.417 0 40 FEAB CCOC(=O)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)[C@H](C)CC 72303240 FXYZFPFONABXPJ-KUHUBIRLSA-N 360.454 2.450 0 40 FEAB C[C@H]1C[C@@H](C)CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 97020917 WFXJJXZTZROZFG-UWVGGRQHSA-N 352.236 2.395 0 40 FEAB CCO[C@H](C)c1nc(Cn2nc(C(=O)OC)cc2C(=O)OC)cs1 95452307 PYNXIAHXWFDTQY-SECBINFHSA-N 353.400 2.059 0 40 FEAB CCCc1cc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)[nH]n1 22978416 UFPFARYCSZXFON-UHFFFAOYSA-N 370.409 2.285 0 40 FEAB CC(C)N1CCC(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)CC1 95432354 PIBJZQSNCKLRNL-IBGZPJMESA-N 372.557 2.354 0 40 FEAB C[C@H](C(=O)NCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 408556330 IWOUFMURCUZWMK-CQSZACIVSA-N 364.442 2.339 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccn1 408558068 IIVYWXMQCNMABM-CQSZACIVSA-N 369.446 2.218 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 32740559 AMSCFEKCODIGTD-UHFFFAOYSA-N 360.426 2.234 0 40 FEAB COc1cc2c(cc1CN1CCn3c(nnc3[C@@H]3CCCNC3)C1)CCC2 72372135 XLXLACQZDXCFJT-QGZVFWFLSA-N 367.497 2.258 0 40 FEAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218061784 AMKRFJXITVXSSX-OFQRWUPVSA-N 351.811 2.062 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CCCCN(C3CCOCC3)[C@@H]2C1 72399179 UAENRQHWJPTYGI-QFBILLFUSA-N 364.511 2.341 0 40 FEAB CN(C(=O)Cc1noc2ccccc12)[C@H]1CCCC[C@H]1S(C)(=O)=O 76500953 ORLWOGQBUKGSEC-GOEBONIOSA-N 350.440 2.185 0 40 FEAB COC(=O)c1sccc1NC(=O)CN1CCN(C2CCCCC2)CC1 71775381 VHWMWJJQGKRBPD-UHFFFAOYSA-N 365.499 2.424 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(F)c1 32589493 BKLZNFICUMBKRK-UHFFFAOYSA-N 353.371 2.446 0 40 FEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217635710 JSPWQBFTYDAXFI-QWHCGFSZSA-N 370.471 2.443 0 40 FEAB CC(=O)Oc1ccc2occ([C@H]3N[C@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 74938358 PFFPHYYANJHODY-CABCVRRESA-N 363.391 2.285 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 225411299 QKQMXAAKYLTKJJ-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB O=C1[C@@H]2CCN(Cc3cccs3)C[C@@H]2OCCN1Cc1cccnc1 96107096 BQLXGKLMZZHYDN-MSOLQXFVSA-N 357.479 2.393 0 40 FEAB O=C(C1CC=CC1)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 96220070 OBZLYZSZKRYXTF-OAHLLOKOSA-N 351.410 2.481 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cscn2)C3)cs1 248017592 IDVSBNNYMPKVBK-ZDUSSCGKSA-N 365.480 2.498 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)ccn1 257229024 FWIFFLPKEOFOIA-MRXNPFEDSA-N 353.426 2.478 0 40 FEAB CCc1[nH]ncc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C 257295413 QYFCOXMFIMXGFO-JRJVTICQSA-N 362.518 2.448 0 40 FEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccc(C)cc2)CC1 257265604 LZJNQWIEZVWHHS-QUCCMNQESA-N 357.498 2.459 0 40 FEAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 257262680 LMJZHBZUIARJMK-YRXWBPOGSA-N 364.461 2.333 0 40 FEAB CCc1nnc(N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)s1 91616303 KDYAXJJSFMHXQD-UHFFFAOYSA-N 374.514 2.275 0 40 FEAB Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(C(F)F)n1 585108113 FYXGSBDGKMOUOV-LSDHHAIUSA-N 361.396 2.242 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095887 SFQDPFQOQNSQMN-SFHVURJKSA-N 369.469 2.304 0 40 FEAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 585108255 HZKXWBCCEZLPQU-BZUAXINKSA-N 374.466 2.078 0 40 FEAB COC[C@@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(F)cc1F)C2 585112312 OKESXXGDLDXFGY-LLVKDONJSA-N 365.380 2.276 0 40 FEAB O=C(N[C@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 685940146 XWKRJKHBJDIQNV-SJORKVTESA-N 356.397 2.472 0 40 FEAB COCCOCCOCCSCCOCCC(=O)OC(C)(C)C 575419778 XTLJIRCPJBEEDE-UHFFFAOYSA-N 352.493 2.148 0 40 FEAB CCc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 12113705 XUHQPRNXEWWGQS-UHFFFAOYSA-N 369.469 2.115 0 40 FEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)N3CCOCC3)C2)on1 12118361 BLEVKZGTCLKUSU-CQSZACIVSA-N 357.414 2.072 0 40 FEAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CN1CCOCC1 13116813 RLXUYDVKRCTESJ-ZAYGCWILSA-N 374.440 2.168 0 40 FEAB O=C1CCCN1CCCc1cc(=O)[nH]c(N[C@H]2CCc3ccccc32)n1 19375180 NWYCTULSMHAAQX-KRWDZBQOSA-N 352.438 2.424 0 40 FEAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1=O 19655451 QZCSLTNPSRKCGX-ZDUSSCGKSA-N 365.389 2.318 0 40 FEAB COCCN1Cc2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2C1=O 19656569 VMPAETIDNUJYIT-UHFFFAOYSA-N 373.497 2.283 0 40 FEAB CCn1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)c1C 643887570 SYSWERDXJDVKRX-QGZVFWFLSA-N 356.474 2.282 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 6315351 XBUQRKZMOVEHJJ-UHFFFAOYSA-N 350.396 2.463 0 40 FEAB O=C([C@@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCSCC1 1888853271 LDRBMJYHFAKRBR-LBPRGKRZSA-N 362.282 2.169 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc4[nH]ccc4c3)CC2)n1 238960988 YLLQDWSQOJKWKU-UHFFFAOYSA-N 351.410 2.371 0 40 FEAB CCc1ccc(C(=O)N2CC[C@]3(CCc4nc(C)cc(=O)n4CC3)C2)cn1 1614937456 KZAOJRYRCITSSJ-NRFANRHFSA-N 366.465 2.378 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1F 2086968275 MDFMKAGUYQEXJR-ZIAGYGMSSA-N 368.460 2.338 0 40 FEAB Cc1ccsc1CCC(=O)N(C)C1CN(c2ccc3nnc(C)n3n2)C1 1565523731 YZVCHHFBIZZGRB-UHFFFAOYSA-N 370.482 2.082 0 40 FEAB C[C@@H]1CN(Cc2cn[nH]c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055731744 RCRYAZBTEZTASY-BJZITVGISA-N 355.442 2.203 0 40 FEAB O=C(CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCC1 40019951 LSTYXWYFKKLHER-UHFFFAOYSA-N 371.403 2.325 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CCc2ccccc21 41197438 ATGKRJWBAQZMOY-INIZCTEOSA-N 372.446 2.141 0 40 FEAB C[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 32818429 HYOFGRAHLSENJI-GFCCVEGCSA-N 374.359 2.401 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1OC 32929493 SCLJCTSSJOUUSW-CYBMUJFWSA-N 356.488 2.022 0 40 FEAB Cc1ccc(OC[C@@H](O)Cn2c(NCCO)nc3ccccc32)c(C)c1 33014951 XMUOPSPTFPILAJ-INIZCTEOSA-N 355.438 2.497 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 670294 IRFXVCNHOLOSEN-UHFFFAOYSA-N 351.424 2.233 0 40 FEAB CCN(CC)C(=O)CSc1nnc2c3cc(OC)ccc3n(C)c2n1 1366283 SMQVZWNIXDPDMI-UHFFFAOYSA-N 359.455 2.486 0 40 FEAB O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@H]1C=C2S(=O)(=O)c1ccccc1 1620118 MNUVVQLLWRCHGX-IRXDYDNUSA-N 367.426 2.344 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@]2(O)CCCC[C@@H]2C1 2111917 GWOYTLYMCAAZGT-FOIQADDNSA-N 357.406 2.325 0 40 FEAB biogenic COc1ccc(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1OC 3251420 DAZYQJLVLDNZOB-UHFFFAOYSA-N 373.361 2.157 0 40 FEAB CN1CC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 3314267 FOSREWVAOPBNIA-UHFFFAOYSA-N 353.378 2.098 0 40 FEAB CCCCOCCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4046535 MXEYBDKXCXKMSV-QFBILLFUSA-N 374.437 2.170 0 40 FEAB biogenic COCCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1 4161445 WLJGAMLXOWGHQH-UHFFFAOYSA-N 350.444 2.335 0 40 FEAB COCCNC(=S)Nc1cc(OC)c(NC(=O)C(C)C)cc1OC 4241941 MBPZYXCLWBOPGF-UHFFFAOYSA-N 355.460 2.231 0 40 FEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)Nc1ccc(C(=O)O)cc1 4521223 PVMDAMXGKHIMSQ-KCQAQPDRSA-N 363.439 2.049 0 40 FEAB in-vitro CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)c1ccco1 4942529 UAGRAOZLXVFITP-UHFFFAOYSA-N 370.386 2.484 0 40 FEAB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 4973392 WLIQWKBATHJQCA-UHFFFAOYSA-N 359.451 2.429 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 5262005 MDYLBCMSLUNROS-UHFFFAOYSA-N 350.371 2.075 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CSC1=NCCS1)CC2 5345939 NSPOLYNWAICROW-UHFFFAOYSA-N 352.481 2.425 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 5881830 SVZCEMHUXYUZGA-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 6948546 FBUQJTYTDROUGE-RVDMUPIBSA-N 359.451 2.411 0 40 FEAB CNc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)s1 7103204 YNUSVTYNQBNLHT-SECBINFHSA-N 363.468 2.436 0 40 FEAB CN1C(=O)N(CC(=O)NCCc2ccccc2F)C(=O)C12CCCCC2 7401181 LOIWPVSGJNFIFY-UHFFFAOYSA-N 361.417 2.081 0 40 FEAB C[C@@H](OC(=O)c1ccc[nH]1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 7452935 CQSSJMXFNQEWIG-UZNLNLPZSA-N 359.426 2.355 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccccc1F 7671504 UJPSJFUICRXYCV-UHFFFAOYSA-N 369.396 2.280 0 40 FEAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCOCC1 7763506 YKYKJJCYGGGVFC-UHFFFAOYSA-N 350.469 2.292 0 40 FEAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCOC(C)C)C3)cc1 9317342 GDZDZMUYXMQRFK-SFHVURJKSA-N 373.453 2.351 0 40 FEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccncc3)o2)cc1 9618524 ZSIKQSIFDHTQEW-UHFFFAOYSA-N 372.406 2.106 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146701 OFTIRMNLYIQZGI-CQSZACIVSA-N 366.421 2.223 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)Nc2nnc(CC(C)C)s2)no1 12998709 OQZMOOAEQQUPJZ-UHFFFAOYSA-N 369.472 2.343 0 40 FEAB O=C1CSc2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2N1 14158429 AYRAAZGRKPYAKJ-UHFFFAOYSA-N 356.403 2.432 0 40 FEAB CN1N=C(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)CCC1=O 14251161 FLJSGYVVKWYWCL-UHFFFAOYSA-N 358.379 2.086 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)c1 14280892 QDJQASOTSSVBSU-LLVKDONJSA-N 373.434 2.353 0 40 FEAB O=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccs1 16684628 RONUWXODLQMGKL-XBXARRHUSA-N 369.490 2.336 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)n[nH]1 19083620 GFWUCCRYULIKDD-CYBMUJFWSA-N 368.485 2.163 0 40 FEAB COc1ccc2cc(CN(CCO)C(=O)C3[C@H]4CCCC[C@@H]34)c(=O)[nH]c2c1 19563892 ZIMMGOQPAZKXIB-JJTKIYQPSA-N 370.449 2.294 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@H](Cc2ccsc2)c2ccccn2)c(=O)n1 19572366 DOSDAPPCYBXUHN-QGZVFWFLSA-N 368.462 2.417 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(N)=O 19754735 RUCZKPPGGOKBKH-MRXNPFEDSA-N 352.438 2.223 0 40 FEAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccncc1 22371174 CUVGJIFHEMRTFE-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB CCOc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 22396109 BONUTSQSRNEQLQ-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB Cn1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 24478722 GGQUEBAQQARHIB-UHFFFAOYSA-N 364.471 2.025 0 40 FEAB COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cn1 25219139 HKFGGHPWZBCJQC-UHFFFAOYSA-N 359.382 2.062 0 40 FEAB COc1ccc(CN(CC(=O)OC(C)(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 27653045 VUWDAHJRKPIRRQ-OAHLLOKOSA-N 369.483 2.026 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2ccc(F)cc2F)o1 27983520 AKCPQMHRRHLBDO-LLVKDONJSA-N 371.361 2.054 0 40 FEAB Cc1cc(C)n2nc(C(=O)n3cccc/c3=N\C3CCCCC3)nc2n1 29025964 VWDJFNFKRDEGFZ-LTGZKZEYSA-N 350.426 2.465 0 40 FEAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 31712145 HFKGCAJNZMMITP-NXEZZACHSA-N 353.362 2.235 0 40 FEAB CC(C)NC(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 32210642 BRCIPRRUFIROFC-UHFFFAOYSA-N 365.231 2.094 0 40 FEAB CCC(=O)c1ccc(OCC(=O)N2CCS(=O)(=O)c3ccccc32)cc1 32801892 NPQWKWLNEIOFGL-UHFFFAOYSA-N 373.430 2.479 0 40 FEAB COc1cccc(Cc2cnc(NC(=O)[C@@H]3CCS(=O)(=O)C3)s2)c1 32899260 ITQFGNUCFQCEKE-GFCCVEGCSA-N 366.464 2.116 0 40 FEAB CCCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 32971868 RWBWQZDJUAQRLK-MRXNPFEDSA-N 367.449 2.177 0 40 FEAB O=C(c1cccs1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 35388530 VYWADXMFAFLBAZ-UHFFFAOYSA-N 369.490 2.485 0 40 FEAB O=S(=O)(c1ccc(-c2nc(-c3ccccc3)no2)o1)N1CCOCC1 36360339 PBYNAIZLPOFTSK-UHFFFAOYSA-N 361.379 2.018 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 40160417 RFBHRMWKNUJMTD-GOSISDBHSA-N 366.417 2.138 0 40 FEAB COCCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O 40398250 WGVLKLRHDMENRG-UHFFFAOYSA-N 355.785 2.406 0 40 FEAB CCOc1cc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)ccc1OC 42256234 ZABRSYYQMQXOPN-UHFFFAOYSA-N 371.361 2.491 0 40 FEAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NC(C)C)c2=O)n1 49002630 FWZFNSIKIUOPBO-UHFFFAOYSA-N 352.394 2.398 0 40 FEAB COCCn1c(SCCC(=O)NC(N)=O)nc2cc(Cl)ccc21 54360068 CRRRYUVTDVNWLT-UHFFFAOYSA-N 356.835 2.013 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 55415587 VTBIFXBTCJYYPY-UHFFFAOYSA-N 362.451 2.363 0 40 FEAB Cc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2ncccn2)CC1 56058964 PXONFVLZAVFDBA-UHFFFAOYSA-N 366.874 2.386 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 58105236 AMCNCNYCIQPMIP-SNVBAGLBSA-N 355.232 2.143 0 40 FEAB CCC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 58161923 RPIGIPHTEREZLO-UHFFFAOYSA-N 350.415 2.330 0 40 FEAB O=C(Nc1ccncc1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58201371 BNQVDFPPMIKPGE-IRXDYDNUSA-N 362.389 2.294 0 40 FEAB COC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 58330276 LHGQTYKBSMWNRV-MLGOLLRUSA-N 359.426 2.443 0 40 FEAB Cc1c(C(=O)NCCN2CCCS2(=O)=O)oc2c(Cl)cccc12 61598352 RCFRMRVOUYIJHZ-UHFFFAOYSA-N 356.831 2.160 0 40 FEAB CCOc1cccc2c1OCC(=O)N(c1ccc(S(C)(=O)=O)cc1)C2 67323842 DNZJRHUAGJOQLE-UHFFFAOYSA-N 361.419 2.414 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 71284632 AWFMNOHKPQSXHX-UHFFFAOYSA-N 359.342 2.009 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353044 YCINPJVDPBJIEG-OAHLLOKOSA-N 365.434 2.303 0 40 FEAB Cc1cccc(Nc2cc([C@H]3CCCN(CC(=O)N(C)C)C3)nc(C)n2)n1 72382736 VFSZLIJEKNLCEC-INIZCTEOSA-N 368.485 2.500 0 40 FEAB O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(Cl)s1 75158173 UIPMSOFGILTNKF-CQSZACIVSA-N 359.856 2.350 0 40 FEAB CC[C@@H](C)CS(=O)(=O)NC(=O)c1nnn(-c2ccccc2)c1C1CC1 95958733 JLYGLEQFHVNABV-GFCCVEGCSA-N 362.455 2.250 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1CC=CCC1)C2 96039585 CFHWUVVSACMQLE-CMKODMSKSA-N 350.503 2.319 0 40 FEAB CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 96111668 RRLSGNWFRQYHBZ-RDJZCZTQSA-N 366.421 2.180 0 40 FEAB biogenic,in-vitro CN(Cc1ccncc1)[C@@H]1COC2(CCN(Cc3nccn3C)CC2)C1 96158705 SGCRFYJPTNYIGJ-SFHVURJKSA-N 355.486 2.071 0 40 FEAB Cc1nnc(N2CCC3(CC2)C[C@@H](OCC2CCOCC2)CO3)s1 96217904 DLIBUUQSIVTXDQ-OAHLLOKOSA-N 353.488 2.418 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccc(F)cc2s1 102308449 RDHWXSROALGCRA-WDQYXFPCSA-N 371.393 2.181 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H]2C=C[C@H]1C2 102633162 SGAOIZURFGWDAX-VDUILEQBSA-N 371.361 2.144 0 40 FEAB Cc1cccc(CN2CCC3(CC2)CC(NC(=O)c2cnccn2)C3)n1 108525737 DUYUKMQDEJFYJT-UHFFFAOYSA-N 351.454 2.355 0 40 FEAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2o1 223327772 GTMWVNVBYYWXNZ-UHFFFAOYSA-N 368.754 2.304 0 40 FEAB O=C(NCc1ccccc1F)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223341438 BHRPRYDJSWJHER-MRXNPFEDSA-N 370.380 2.362 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(-c2cccnc2)nc1 225764469 FKVYTTTXAGIOGP-UHFFFAOYSA-N 360.373 2.368 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242539036 JMOSYQVSXYVIJF-UXLLHSPISA-N 365.838 2.309 0 40 FEAB CCCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 248171421 SFLJNXXWWWVPBJ-HOCLYGCPSA-N 356.513 2.206 0 40 FEAB Cc1ccnc(OC[C@@H]2CN(C(=O)c3ccccc3F)Cc3cncn32)n1 253478091 JCIUMYXCPMYIDR-HNNXBMFYSA-N 367.384 2.397 0 40 FEAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cc[nH]n2)CC1 257217801 DAQZARPXNACNKN-LJQANCHMSA-N 360.433 2.038 0 40 FEAB CC(=O)NCc1cnc([C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 257220211 DKAGETQQVVFSCY-NSHDSACASA-N 353.348 2.454 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@@H](Cc2cnc(NC)cn2)CC1 257262290 LKVWCSAJGCOPMN-OAHLLOKOSA-N 356.474 2.149 0 40 FEAB Cc1ccc2oc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2c1 257266273 MCGIKJPXIXVBQO-IRXDYDNUSA-N 358.438 2.039 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257332490 XXNDUEBTLAOKQY-KRWDZBQOSA-N 354.458 2.057 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc4cc[nH]c34)ccc2N1 548150774 NPFSMXNGKCHQLH-UHFFFAOYSA-N 370.390 2.249 0 40 FEAB O=C(c1cncc(Br)c1)N1CCC[C@@H](Oc2ccncn2)C1 575604796 FKAPLFROAQYHIN-CYBMUJFWSA-N 363.215 2.318 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](Oc2ncccn2)C1 575610692 NGZHRHIHDYWFNN-GFCCVEGCSA-N 373.356 2.337 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 585271574 HNONKTOKHWBEDA-FQEVSTJZSA-N 357.454 2.094 0 40 FEAB O=C(c1ccc2ccccc2n1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585603342 PONPMCDGMHRIDY-UHFFFAOYSA-N 360.417 2.441 0 40 FEAB COc1ncc(Cl)c(N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)n1 623173478 IPQNJADVZDEJFT-LDYMZIIASA-N 351.794 2.365 0 40 FEAB O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1 645810271 XWTZGTOHLQUYIO-OAHLLOKOSA-N 353.426 2.135 0 40 FEAB Cc1cnc([C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C2CC2)s1 664221713 GONQAUWZMVBWCL-RAIGVLPGSA-N 357.501 2.168 0 40 FEAB O=C1CC[C@@H](c2nc(CNC3CCOCC3)no2)N1Cc1ccccc1 1775964182 VQUHPJKPCUNZTE-INIZCTEOSA-N 356.426 2.202 0 40 FEAB biogenic,in-vitro Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CC(F)(F)C5)C[C@H]4C3)n1)CCC2 1888856790 GCQWDPRZCHQVON-OKILXGFUSA-N 362.424 2.214 0 40 FEAB O=C(CN1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCCCC1 1889109983 ILPJMIGYFSRZFX-UHFFFAOYSA-N 371.407 2.020 0 40 FEAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2nccs2)CC1 2055704289 BQKWGTZHKPRXMA-UHFFFAOYSA-N 373.404 2.009 0 40 FEAB Cc1nc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)cc(C(F)(F)F)n1 2298029641 YAOZCUVOBZQSND-LLVKDONJSA-N 354.380 2.248 0 40 FEAB COc1ccc(OC)c(/C=C/C(=O)N[C@@H](CO)CSCSC)c1 1731334 RWFHTIFTTYUMST-LVDDQXARSA-N 357.497 2.248 0 40 FEAB C[C@H](NC(=O)CSc1nc(N)cc(N)n1)c1ccc2c(c1)CCCC2 7371792 FYNNVKGIGZDDKR-NSHDSACASA-N 357.483 2.489 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180288 LQNLFZZVNGUMCJ-IWMXFIMRSA-N 371.481 2.009 0 40 FEAB COCC(=O)N(Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 8617847 WQXUXGDGXUVZRV-UHFFFAOYSA-N 367.405 2.107 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(c2cnnc(O)c2Cl)CC1 24213175 JXTVNWZUFSVRFQ-UHFFFAOYSA-N 353.209 2.451 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc2c(s1)CCCCC2 43094376 HKBCDZCVGIZXJD-UHFFFAOYSA-N 358.529 2.418 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12538682 BCUKBTQVZIJTGQ-WFASDCNBSA-N 369.387 2.126 0 40 FEAB C[C@@H]1CN(C(=O)CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CCO1 106528100 UGJYAUNWMFBOFK-PHEKWQANSA-N 373.280 2.131 0 40 FEAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9828047 DUPADCNASJHIND-UHFFFAOYSA-N 356.378 2.421 0 40 FEAB COCCn1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 108710109 WZDWLTZTTKWFRT-MRXNPFEDSA-N 356.426 2.020 0 40 FEAB COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccc(F)cc2)cc1 58215372 BNMCGSHFKSBOOT-GOSISDBHSA-N 357.385 2.065 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 58209359 RHELXFDRJCZCTP-HNNXBMFYSA-N 358.891 2.215 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1F)N1CCN(c2nccs2)CC1 12755999 KKXFEECOFYJLGW-UHFFFAOYSA-N 361.851 2.447 0 40 FEAB COc1ccc(CNC[C@H](O)CN2CCCC2)cc1OCc1cccnc1 60270279 OZIOPOIDYJXKRG-IBGZPJMESA-N 371.481 2.216 0 40 FEAB Cc1ccc([C@@H](CNCc2cnc(N(C)C)s2)N2CCOCC2)o1 48368710 DYZDYBRQAFFOQR-OAHLLOKOSA-N 350.488 2.274 0 40 FEAB O=C1CN(C(=O)COC(=O)c2ccc3ccccc3n2)c2ccccc2N1 3523566 ZKJJSOVYVSGFST-UHFFFAOYSA-N 361.357 2.377 0 40 FEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H]1c1cccn1C 8923081 MRUQWLWBGRMFAJ-UYAOXDASSA-N 353.466 2.479 0 40 FEAB CC(C)c1cc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 38510005 NEHTXXHXILBHOO-UHFFFAOYSA-N 374.872 2.369 0 40 FEAB O=C(CSc1nc(Cl)nc2nc[nH]c12)NCCc1ccc(O)cc1 13570407 YXAJZLONLIYSDZ-UHFFFAOYSA-N 363.830 2.163 0 40 FEAB C[C@@H]1C(=O)N(CN2CCN(c3ccccn3)CC2)C(=O)N1c1ccccc1 14138437 BISXIXMJMUIMHX-MRXNPFEDSA-N 365.437 2.018 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)N1CCCc3ccccc31)NC(=O)CO2 4512192 XJXKYZDIJZYEQD-UHFFFAOYSA-N 358.419 2.467 0 40 FEAB CCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6651756 KSBUXGZMQYXHMA-UHFFFAOYSA-N 362.455 2.330 0 40 FEAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 6886485 XPXYPKCBHMFTFU-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6831460 JNWNQBMFTQXKHW-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 4986222 WMQHHOMJQRJJDJ-HNNXBMFYSA-N 374.890 2.181 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 15345377 WNNJFDVSWXEDCZ-UHFFFAOYSA-N 351.450 2.069 0 40 FEAB CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1 7054922 PKMUMMDEXYEMNH-UHFFFAOYSA-N 368.480 2.348 0 40 FEAB C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 7988558 LMFWZVASJCHYIK-LBPRGKRZSA-N 361.419 2.352 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(-n3cncn3)cc2)cc1OC 8276789 MQXXZWVTGWNHGJ-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB COc1cc2c(cc1OC)-c1cc(NCc3cccnc3)nc(=O)n1CC2 8657409 BHURQWPYKBQXAO-UHFFFAOYSA-N 364.405 2.491 0 40 FEAB biogenic CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(Br)c(O)c1 95449675 ZMYHLCFQHQCOEO-UHFFFAOYSA-N 364.261 2.098 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC)Cc2ccccc2)cc1 408625068 VHMFRTAYZOPZHT-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C 408625378 SIGLRMZCOXPXFQ-UHFFFAOYSA-N 373.478 2.464 0 40 FEAB O=C(NS(=O)(=O)[C@H]1CCOC1)c1cc2c(s1)-c1ccccc1CC2 408384684 JUZULXKQISQSBK-ZDUSSCGKSA-N 363.460 2.362 0 40 FEAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(C)=O)n1 72391865 KSDFPHVPOCINGW-INIZCTEOSA-N 367.453 2.013 0 40 FEAB CC[C@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225740608 WCNCFKAMFUNYIU-AWEZNQCLSA-N 368.499 2.327 0 40 FEAB CCCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 42712202 MORCUOQRMBTONQ-UHFFFAOYSA-N 364.442 2.091 0 40 FEAB Cc1ccn2c(=O)c(C(=O)NCCOc3c(C)cccc3C)cnc2c1 40113847 SCBZFLGAROIEPJ-UHFFFAOYSA-N 351.406 2.429 0 40 FEAB CS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccc(F)c2)CC1 96218153 SNBQUMUUNUKUMW-QGZVFWFLSA-N 354.447 2.132 0 40 FEAB O=C(NCc1cccnc1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 96239272 VTAQHXZVWZPUDW-GOSISDBHSA-N 356.451 2.482 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)c1 96084712 KJFKGJWYCMYIHK-UHFFFAOYSA-N 350.426 2.186 0 40 FEAB O=C(c1cc(Br)cnc1Br)N1CCOCC1 90413751 IALWQVVTPGGKTF-UHFFFAOYSA-N 350.010 2.079 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 247818552 CIQWWNYOAHIGRF-INIZCTEOSA-N 369.421 2.076 0 40 FEAB O=C(C[C@@H]1CN(Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 247876898 UFFPGMXLTMZJBU-QGZVFWFLSA-N 374.510 2.434 0 40 FEAB CN(C)[C@H]1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 585084612 PGJFDLPWGBEDTP-KRWDZBQOSA-N 356.470 2.384 0 40 FEAB COc1cccc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)c1 254744677 RXXJPVOZYCTXRM-UHFFFAOYSA-N 365.414 2.383 0 40 FEAB c1cc2n(n1)C[C@@H](CN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2 253603528 GZJJHSWMUVYKAF-KRWDZBQOSA-N 354.454 2.340 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)Cn3cccn3)CC2)C1 257308693 TXTAEXNVWWVORX-GOSISDBHSA-N 354.454 2.170 0 40 FEAB CC(=O)NC1CCN(C(=O)C2(Cc3ccccc3)CCN(C)CC2)CC1 257325575 WTOILCFQHLJLTN-UHFFFAOYSA-N 357.498 2.068 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2cccc(C(=O)O)c2)n1 257291966 QJKZAWCGIXPNEM-MRXNPFEDSA-N 355.394 2.460 0 40 FEAB CCCN1CCN(C(=O)c2nnn([C@@H]3CCNC3)c2C)c2ccc(F)cc21 662806518 CQDSHMAXNUGNCY-OAHLLOKOSA-N 372.448 2.137 0 40 FEAB CN(c1ccccc1)c1ccc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 680650359 JHBSEFHZTNEEMQ-GOSISDBHSA-N 350.422 2.191 0 40 FEAB O=C(C[C@@H]1CN(c2ncc(F)cn2)Cc2cccn2C1)NCc1ccco1 585099223 WKJPPSMRWZPEEL-AWEZNQCLSA-N 369.400 2.353 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2)CC1 585113254 WDOXFBPPUXHPJO-KRWDZBQOSA-N 350.484 2.353 0 40 FEAB CCn1c(CCNC(=O)c2cc(Br)ccc2O)n[nH]c1=S 83836916 CFBJMCTYDVASOZ-UHFFFAOYSA-N 371.260 2.401 0 40 FEAB c1ccn2cc(CN3CCN(c4nccc(N5CCCC5)n4)CC3)nc2c1 730106942 UXUCUIOYYIXLRL-UHFFFAOYSA-N 363.469 2.047 0 40 FEAB O=C(NN1CC(=O)N(C2CCCCC2)C1=O)c1nccc2ccccc12 5018963 SPWZQYUMRIBSJI-UHFFFAOYSA-N 352.394 2.477 0 40 FEAB COc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)NCc3ccccc3)C2)cc1 5346321 UARJABKGMFWJDQ-FQEVSTJZSA-N 368.389 2.350 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccncc2)CC1 12552023 PEPTWCIZPQYTRV-UHFFFAOYSA-N 357.888 2.303 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N4CCC(O)CC4)[C@@H]31)O2 13227519 QIZZSSZJWRBTRM-RIYQWJRFSA-N 355.434 2.338 0 40 FEAB Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CN(Cc1ccccc1)CC2 19286180 OOXKNMNJXHHMLC-UHFFFAOYSA-N 365.481 2.045 0 40 FEAB COc1cccc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)c1 19565290 WZXXZPUHTCUDMM-KRWDZBQOSA-N 350.426 2.408 0 40 FEAB Cn1nccc1CN1CCO[C@@H](c2c(C(N)=O)sc3ccccc23)C1 19696717 YDHMFHUEJVRMNL-CQSZACIVSA-N 356.451 2.307 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(CCCc2ccccc2)C3)C1 19707180 PIKYGNJXEJPZNE-IBGZPJMESA-N 367.497 2.452 0 40 FEAB CC1CCN(c2nc([C@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)CC1 19717506 DJXAKUFJVOWBDK-AWEZNQCLSA-N 365.437 2.325 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 19854915 RNBQGUZWGDJFFM-UHFFFAOYSA-N 369.465 2.460 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 882730 MQGTYRYMQRJMER-UHFFFAOYSA-N 372.734 2.154 0 40 FEAB biogenic O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)c1ccccc1 4139823 GQWFXFAWLUNELX-UHFFFAOYSA-N 363.352 2.058 0 40 FEAB CC(C)(C)c1ccc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)nn1 1775973069 GYRDFVVJBYOVHL-UHFFFAOYSA-N 364.453 2.109 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(=O)N3CCCC3)c1)CS2 30479286 YGXIIAOZMIJZCH-BEFAXECRSA-N 373.478 2.315 0 40 FEAB O=C(NCCCn1cccn1)c1nn(-c2ccccc2)c(=O)c2ccccc12 30171003 DXNVORCUOCJFAS-UHFFFAOYSA-N 373.416 2.402 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100059880 JPUFBYQNQKVOGO-JUFZMCDQSA-N 373.714 2.164 0 40 FEAB COc1ncccc1CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 30307276 XIPRRLVTWORFEQ-UHFFFAOYSA-N 356.378 2.141 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1 101371534 LRWTYMVGOKIRTD-HRCADAONSA-N 365.433 2.247 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc(O)cc3)CC2)cc1 21131089 SVPGXAPAVKFBCM-INIZCTEOSA-N 369.465 2.228 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(c2cnn(C)c(=O)c2Cl)CC1 52106270 SVRTWLGYBBSIGB-UHFFFAOYSA-N 360.845 2.141 0 40 FEAB Cn1cnnc1-c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 32832518 BHXOYXKVQXZGDY-UHFFFAOYSA-N 350.304 2.336 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CNC[C@H]2COc3ccccc3O2)c1 2629251 KVZPZSCYPJCPEG-AEFFLSMTSA-N 357.406 2.059 0 40 FEAB O[C@@H](CNc1ccc2nnc(-c3ccccc3F)n2n1)COCC1CC1 78650200 YUXLNSMWKAVCNN-ZDUSSCGKSA-N 357.389 2.130 0 40 FEAB CCN(CC)C[C@H](C)NC(=O)CCn1nc(C)c(Br)c1C 2780994 LSJVPBYVSASUMO-NSHDSACASA-N 359.312 2.499 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 819451 NZAHMJMWPJTVMX-WBVHZDCISA-N 374.824 2.221 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)no1 17988845 BHOVFMBNHGMVBU-XHSDSOJGSA-N 367.405 2.490 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 21559262 SSZPQJDQKYQRCI-MRXNPFEDSA-N 374.437 2.274 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 2913845 IXAOXOMBCNECGE-GFCCVEGCSA-N 369.826 2.467 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1=O 57909487 WIZDGODTBJRCEU-NSHDSACASA-N 365.405 2.122 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2c(S)nc(C[C@H]3C[C@@H]4CC[C@@H]3C4)nc21 100576933 AOZDGYAUXZAFJW-IJLUTSLNSA-N 360.483 2.403 0 40 FEAB Cc1ccnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 12553702 QSCXGEHAIDBIIX-ZDUSSCGKSA-N 365.480 2.491 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3F)n2)c1 35315810 NWPDYEOCOIKFLP-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB CN(C(=O)COC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1 3263845 FATQCAPBFBGAKZ-UHFFFAOYSA-N 360.797 2.276 0 40 FEAB O=C(CNC(=O)c1cccc(OC(F)F)c1)OCC(=O)c1ccccc1 3241313 QCVBZFXHHLKSRC-UHFFFAOYSA-N 363.316 2.444 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F 57531230 HYHFZHBMZVGEHY-OPQQBVKSSA-N 366.723 2.124 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)s1 56044030 VBRTYQFHJIDYQA-JTQLQIEISA-N 370.418 2.142 0 40 FEAB CCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC 28002622 VRGJEUKQTJRLKD-LRDDRELGSA-N 367.877 2.127 0 40 FEAB CN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 58441515 ROVPJBNIRJUDIE-CYBMUJFWSA-N 358.360 2.455 0 40 FEAB Cc1ccc(C(N)=O)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 58449526 MNWRYWJUINPJPX-UHFFFAOYSA-N 367.453 2.275 0 40 FEAB Oc1ccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)cc1 10297805 XPOWHSHDKVPCDC-AWEZNQCLSA-N 365.378 2.298 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 29148649 PEPPAISYGVGEBC-UHFFFAOYSA-N 369.513 2.295 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(OC)c1 45950554 PMMNTQTUNIWOIU-CYBMUJFWSA-N 361.423 2.404 0 40 FEAB O=C(NCc1cccnc1)c1ccccc1S(=O)(=O)N1CCCCC1 29899922 ZBJHDISAJSULJT-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB CN1CCC2(CC1)OCCN2C(=O)COc1ccc(Br)cc1 13690531 CQUBPILINDLEQL-UHFFFAOYSA-N 369.259 2.109 0 40 FEAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc(F)c1 13724913 RZRCXQAMCZSWSU-UHFFFAOYSA-N 363.352 2.178 0 40 FEAB CC(C)[C@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 39655609 HNSRKZJKTLAVDJ-MRXNPFEDSA-N 354.362 2.061 0 40 FEAB CCOc1ccc(NC(=S)Nn2c(=O)[nH]c3ccccc3c2=O)cc1 6187284 HLHALAJBOGVQKK-UHFFFAOYSA-N 356.407 2.029 0 40 FEAB C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 49985337 CCKDKMSKFQFKFL-KQGUQKKSSA-N 369.446 2.007 0 40 FEAB CCCCc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 4303853 HZGKQVQSPAALJP-UHFFFAOYSA-N 351.410 2.316 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14076392 SDFLDVXLJLYPBW-HUUCEWRRSA-N 365.499 2.379 0 40 FEAB CCC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(OC)cc3)n12 306134743 NXAYBYMYKPCFNW-UHFFFAOYSA-N 369.469 2.127 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 14141569 PVCKATMOOZZUHH-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCC1 5638246 DKIBNUDJVWPZIG-UHFFFAOYSA-N 358.847 2.100 0 40 FEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)NC(C)(C)C 6907828 SMKXMAGSHWQXRF-UHFFFAOYSA-N 362.430 2.270 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccco1 5935025 OGILMPLSGCGNOC-IRXDYDNUSA-N 355.438 2.047 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)/C=C/c2cccc(Cl)c2)no1 96000987 UJRITWAJPNMYAM-GJBLVYBDSA-N 363.801 2.483 0 40 FEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NC3CCCC3)c2)C1=O 15858574 CUIVGOWUJNUTGE-UHFFFAOYSA-N 350.440 2.062 0 40 FEAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)n1 7530284 CFZQUPHMHLLNQG-UHFFFAOYSA-N 371.470 2.142 0 40 FEAB COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1 71640085 ARJXOQQSZXMPMM-LLVKDONJSA-N 374.359 2.093 0 40 FEAB CCOc1ccc([C@@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1OCC 8031606 RCBDEJZWNUPCGV-CYBMUJFWSA-N 362.426 2.200 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 8503606 YCXQAZSLMDVHSP-UHFFFAOYSA-N 361.417 2.427 0 40 FEAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3n[nH]c(=O)n3C3CC3)ccc21 9513682 TUSUIIVUKFFWLU-JTQLQIEISA-N 372.450 2.179 0 40 FEAB Cc1nc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)no1 95959671 HSTXHDHMIMRJAO-CYBMUJFWSA-N 354.414 2.307 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 61194375 QDBCSVHQDFLMTQ-HIFRSBDPSA-N 357.462 2.213 0 40 FEAB CC1(C)CC(NC(=O)CCn2cc(Br)cn2)CC(C)(C)N1 27938923 HVAXXWKMBYQPJX-UHFFFAOYSA-N 357.296 2.461 0 40 FEAB Cn1cc(CCC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)cn1 548350971 ZWFLGRNYFZVCSO-GJZGRUSLSA-N 350.463 2.143 0 40 FEAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(-n2cccc2)cc1 1521869277 DZGSZNJXIPNNHQ-HXUWFJFHSA-N 361.445 2.493 0 40 FEAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccn1 8231802 OUDLILPLISNDPX-YLZCUGDYSA-N 373.478 2.313 0 40 FEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 30756313 BYQQUQRHSNXNGZ-CYBMUJFWSA-N 350.415 2.297 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)cc1N(C)C 562409096 UNQXWOMFSLSVGH-INIZCTEOSA-N 362.451 2.208 0 40 FEAB CS(=O)(=O)Nc1nnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)s1 47293252 GAMNHCKQQRLXKL-UHFFFAOYSA-N 371.831 2.297 0 40 FEAB COc1cccc(OCC(=O)NCc2ccc(OC)c(OC)c2OC)c1 41704286 PTMQASZKADNRGK-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222869720 ZVRHLVICXDKXAI-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccnc3ccccc23)CC1 332895262 YMATYTYMMVYAQL-IRXDYDNUSA-N 368.481 2.041 0 40 FEAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4cccn4C)C3)CC2=O)cs1 96239368 OGFAPTCERVKJDV-GOSISDBHSA-N 358.467 2.055 0 40 FEAB COc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)cc1 96230281 XRQSOOOSFONBME-UHFFFAOYSA-N 357.498 2.214 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccnc1 96207756 HKOOLJZXULCSOB-XUVXKRRUSA-N 351.450 2.377 0 40 FEAB O=C(Nc1ccccc1)N1CCn2nnc(COc3cccnc3)c2C1 96256021 CPJHYVVSQZTREC-UHFFFAOYSA-N 350.382 2.300 0 40 FEAB O=S1(=O)CCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H](C2CC2)C1 583481578 XZXDBIUWFULGOR-AWEZNQCLSA-N 367.858 2.399 0 40 FEAB Cc1ccc(CC(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96078631 HFCXGEUYWWIDEI-IBGZPJMESA-N 370.493 2.319 0 40 FEAB NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242718297 XIHCLCRTZLATCX-ZACQAIPSSA-N 351.855 2.217 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)nc1 253603592 ZNZAVZJEYMOXGX-INIZCTEOSA-N 362.437 2.366 0 40 FEAB O=C(COc1ccccc1)N1CCC(c2nccnc2-n2ccnc2)CC1 257316516 VFYFKYUGDLZDRW-UHFFFAOYSA-N 363.421 2.447 0 40 FEAB O=C(O)CNC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1 256028227 ZHJNPQOKELKERI-UHFFFAOYSA-N 353.330 2.040 0 40 FEAB COCC(=O)N1CCC(Cc2nccnc2-c2ccccc2C(=O)O)CC1 257244254 IKOKRXPALKTXLO-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 260905711 RVWNVNICSWRJKY-QILLFSRXSA-N 362.495 2.392 0 40 FEAB CCN1CC[C@@H](NC(=O)N2CCC(c3cccc(F)c3F)CC2)C1=O 670050251 QHNIZBZSNQOUEQ-OAHLLOKOSA-N 351.397 2.475 0 40 FEAB CCCCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@@H]1C 585096434 NIJZJMQTMAVEQA-AWEZNQCLSA-N 370.457 2.005 0 40 FEAB O=C1C[C@H]2[C@H](CCN2C(=O)OCCF)N1Cc1ccc(-n2cccn2)cc1 585108872 AGPFQNLYVLJRCE-IRXDYDNUSA-N 372.400 2.154 0 40 FEAB COC(=O)CN(C(=O)COc1ccc(Br)cc1F)C(C)C 47951630 BDCPIOSDISLURY-UHFFFAOYSA-N 362.195 2.377 0 40 FEAB O=C(CNc1ccc2c3c(cccc13)CC2)N1CCN(C(=O)C2CC2)CC1 55827996 RQDDIFXASKQIJD-UHFFFAOYSA-N 363.461 2.431 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 57275825 JHNBLUOZCIEYTK-QGZVFWFLSA-N 369.440 2.127 0 40 FEAB O=C(NCc1ccncc1)[C@H]1CSCN1C(=O)/C=C/c1ccccc1 97124120 NROPACVLUOVRHT-DKRLNXSXSA-N 353.447 2.313 0 40 FEAB COc1cc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102934169 NQCCXEXJUXEQDR-MELADBBJSA-N 372.421 2.290 0 40 FEAB O=C1N[C@@H](c2cccs2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859179 DHXMJAXEVDILKL-SUNKGSAMSA-N 371.340 2.247 0 40 FEAB COc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1OC 12905710 IZGCIVXIQVWGNV-UHFFFAOYSA-N 359.407 2.274 0 40 FEAB COc1cc(CN2[C@H]3CC[C@@H]2Cc2c(nc(C)[nH]c2=O)C3)cc(OC)c1 19286343 GEXWLRHUDWLCIZ-CABCVRRESA-N 355.438 2.227 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)cc1 19553123 PVQBNKMDUYRTCA-INIZCTEOSA-N 364.409 2.049 0 40 FEAB COCCOc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 19593806 HUCXPBSFYDONOQ-HXUWFJFHSA-N 368.481 2.485 0 40 FEAB CCn1cnc2sc(C(=O)N[C@H](C)c3cnn(C)c3C)c(C)c2c1=O 19717372 RJYGQMKKFJHGRM-SNVBAGLBSA-N 359.455 2.319 0 40 FEAB COc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCc1ccccc1 8165728 MCJCFUGDBCAFII-DHDCSXOGSA-N 351.362 2.376 0 40 FEAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1 6326362 XQDFONVBLXPOAL-JYRVWZFOSA-N 363.395 2.273 0 40 FEAB COc1ccnc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)c1 633898819 CZPNUSLQQIKUIX-UHFFFAOYSA-N 353.422 2.433 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)COc1ccccc1)OCO2 5460319 NSJJHGJAOGJIDN-UHFFFAOYSA-N 371.345 2.179 0 40 FEAB Cc1noc(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)n1 1888843865 NSUGYEBFAIMDCJ-UHFFFAOYSA-N 368.363 2.386 0 40 FEAB Cc1ccnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888881928 SJPMCBMXLBHELF-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9036951 BEXXPVOZBYXBSN-OAHLLOKOSA-N 374.462 2.335 0 40 FEAB CSc1ncccc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 44001297 WSVMVTZDYCZKAM-UHFFFAOYSA-N 370.478 2.481 0 40 FEAB CCn1nnnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 40057393 XAKBBSMDFQFLBG-UHFFFAOYSA-N 369.454 2.487 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)NC[C@@H]1CCCc2ccccc21 50241459 PXGRCYIAHHVOMW-KRWDZBQOSA-N 372.465 2.169 0 40 FEAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1-c1ccccc1Cl 100750670 ZGZVEJMSZMWYHP-MRXNPFEDSA-N 369.808 2.120 0 40 FEAB biogenic CCOC(=O)N1CCC(NC(=O)Cc2cnc(-n3cccc3)s2)CC1 20735066 NXUQMYYPLMTPSO-UHFFFAOYSA-N 362.455 2.213 0 40 FEAB CN1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 97098446 OPQJIDHSSAMTDZ-KRWDZBQOSA-N 361.486 2.287 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1CCS(=O)(=O)C1 61002608 NCDUOLFMRJQRCT-GFCCVEGCSA-N 357.838 2.250 0 40 FEAB Cc1c(C(=O)NCCC(=O)N2CCOCC2)sc2ccc(F)cc12 53028985 AAPQYZDADHQTHD-UHFFFAOYSA-N 350.415 2.328 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 2951964 SLESJSYXEYYMQR-UHFFFAOYSA-N 361.401 2.006 0 40 FEAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 793354 WKOGRHIUAHYNMW-NRFANRHFSA-N 367.401 2.284 0 40 FEAB CCOc1cccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c1O 6964956 FUEFKGLPIACBDE-XFFZJAGNSA-N 353.421 2.165 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccnc1-n1cccn1 23171509 PHABYUCQBAERMT-UHFFFAOYSA-N 363.377 2.022 0 40 FEAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1 47718314 GMTJKUHSDKEWFQ-AWEZNQCLSA-N 358.529 2.215 0 40 FEAB C[C@@]1(c2cccs2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 24528486 LJYSJADBSHZOTN-IBGZPJMESA-N 370.478 2.295 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 105928914 KOYDMSFKNYFJQO-GVUJHPQVSA-N 356.513 2.487 0 40 FEAB C[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl 24985842 SUFKYODULPCZDC-SJKOYZFVSA-N 373.840 2.270 0 40 FEAB O=C(c1ccccc1)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1 9989251 FRIVAUZAEYABIL-UHFFFAOYSA-N 367.430 2.491 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3262159 XKQQSDSARFBBCE-UHFFFAOYSA-N 356.334 2.169 0 40 FEAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccn2)n2nnnc2N3)cc1 111999907 NSEFAZSWCPCWAM-MRXNPFEDSA-N 358.365 2.234 0 40 FEAB C[C@]12CC3CC(CC(=O)N4CCN(S(C)(=O)=O)CC4)(C1)C[C@](C)(C3)C2 103404835 DQNIPTCSZPUNFK-KNCVXQGMSA-N 368.543 2.477 0 40 FEAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1 72403302 RVMJZCVPPVELOV-UHFFFAOYSA-N 350.378 2.302 0 40 FEAB O=C1C[C@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@H]2CO[C@H]1O2 109066288 NIKGNGJPFJMWDQ-IMJJTQAJSA-N 354.391 2.207 0 40 FEAB CCOC(=O)CN(C(=O)COC(=O)c1ccccc1OC)c1ccccc1 3357212 BSFYTHHXESSHBN-UHFFFAOYSA-N 371.389 2.448 0 40 FEAB CCOc1ccc(CCNC(=O)COC(=O)c2ccncc2)cc1OCC 3359741 VUPLIYXRCTXCQB-UHFFFAOYSA-N 372.421 2.395 0 40 FEAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)O 12896980 XFRFANNACSSJLF-ZBEGNZNMSA-N 350.415 2.271 0 40 FEAB biogenic Cc1cc(C)n2c(SCC(=O)Nc3cccc4nsnc34)nnc2n1 19078210 XVOKNRBMXVUOOE-UHFFFAOYSA-N 371.451 2.477 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 12857236 FEEBNEMPZBFTOU-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060379 ZSQFUSSXMVOKQX-CQSZACIVSA-N 368.416 2.067 0 40 FEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCC[C@H]1C 4061086 ZPLMXWQEGZCBRV-KUHUBIRLSA-N 369.465 2.469 0 40 FEAB biogenic CC(=O)Nc1ccc(CC(=O)NCc2ccnc(-n3ccnc3C)c2)cc1 65514428 VEHGJWAXYMKFEJ-UHFFFAOYSA-N 363.421 2.393 0 40 FEAB O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 5347369 LCYSZGKKPCMNIQ-ODUNQGDFSA-N 374.418 2.189 0 40 FEAB c1ccc(CCNc2nnc(Sc3ccc4nnnn4n3)s2)cc1 14199928 ZIVMFLNMSXGZRG-UHFFFAOYSA-N 356.440 2.177 0 40 FEAB Cc1cc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 6862664 KXUMIFIAJUJZCX-CYBMUJFWSA-N 364.492 2.281 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 66842857 YERSCYICFXSWQC-UHFFFAOYSA-N 365.455 2.022 0 40 FEAB COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(C)=O)c2ccccc2O1 9322564 QTCQOIUSTQKOLE-SFHVURJKSA-N 368.389 2.268 0 40 FEAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1cccnc1 9422506 DPOVJTCXMTVWLJ-GOSISDBHSA-N 358.405 2.338 0 40 FEAB CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 16022993 GFRZHEPQXFSOOU-UHFFFAOYSA-N 362.426 2.426 0 40 FEAB COc1ccc([C@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c(OC)c1 7740275 MARMKVRBQFKCHK-MRXNPFEDSA-N 363.458 2.323 0 40 FEAB CCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860665 XXJJJSJAPJDVDE-UHFFFAOYSA-N 360.439 2.059 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 91302741 CRQDRWLAFBMKRI-STQMWFEESA-N 368.455 2.125 0 40 FEAB COc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)cc1OC 8325618 WAWABTPVDIPFGG-UHFFFAOYSA-N 364.365 2.456 0 40 FEAB CCN(C(=O)c1cccc(S(=O)(=O)NCCOC)c1)c1ccccc1 71885601 HLWPZLZXEYCTNS-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB COC(=O)c1cc(CNC(=O)c2ccc(OC)cc2OC)ccc1OC 18060810 KEMPUWYHQCQHAF-UHFFFAOYSA-N 359.378 2.429 0 40 FEAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CCO)CC1 96983416 ZJEUTGQBJAAOIZ-LBPRGKRZSA-N 370.375 2.426 0 40 FEAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H]3CCS(=O)(=O)C3)cc12 95946874 BMCWHOAMELSHGA-LLVKDONJSA-N 356.469 2.406 0 40 FEAB CCc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O 9907707 RHJGLHHIVUTNLR-UHFFFAOYSA-N 362.436 2.378 0 40 FEAB C[C@H](C(=O)NCc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957078 DRGJUTZSIXXKMT-GFCCVEGCSA-N 368.405 2.436 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358774 AHCHOEQSBDQLNH-CYBMUJFWSA-N 364.446 2.269 0 40 FEAB Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cnn1C 36752067 BHYUMCIYLQAAHW-HNNXBMFYSA-N 366.469 2.498 0 40 FEAB NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 565596763 KWQIQVCWMQHPON-KRWDZBQOSA-N 367.405 2.087 0 40 FEAB NC[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218576680 XTHXNLHYCFLGNL-HLLBOEOZSA-N 365.838 2.309 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 35999571 CQOMPMHRBZRFRW-WTTBNOFXSA-N 352.394 2.178 0 40 FEAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)NCCC(=O)N1CCCC1 227160053 WLUHAAZHPGTLOP-UHFFFAOYSA-N 370.453 2.158 0 40 FEAB O=C(NCc1ccccc1)c1nnn(-c2ccc(Br)cc2)n1 75163765 FTNHKSHEUDQABQ-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2ccc(F)c(C)c2)cc1 75155573 HCXILEZQVRJZJT-SFHVURJKSA-N 367.442 2.415 0 40 FEAB COCCNC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223886243 VVSAEFCABCCGPE-UHFFFAOYSA-N 371.510 2.341 0 40 FEAB CCCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44787010 MOKYFTZAALINOE-AWEZNQCLSA-N 360.863 2.173 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C(=O)c3cccs3)C2)C1 96074562 VWBGDRJUMYYUOW-QGZVFWFLSA-N 356.407 2.143 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccccc1 96044417 VWJJDEDZCHJYTD-SFHVURJKSA-N 355.438 2.354 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247821018 DAJVVEGNDGQPNI-OAHLLOKOSA-N 371.462 2.402 0 40 FEAB NC[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242554602 MOCLUVQWQPIJMY-ZACQAIPSSA-N 351.855 2.217 0 40 FEAB O=C1CCCN1C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247856106 JSEYVPRJFSNNPY-LJQANCHMSA-N 354.454 2.079 0 40 FEAB CN(C[C@H]1CCCN(Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 248144808 VJPLICXXVQSGRV-RTBURBONSA-N 350.528 2.408 0 40 FEAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(C(=O)c1cscn1)C2 247859838 ZGFIRBIMCRQDHL-HNNXBMFYSA-N 359.451 2.437 0 40 FEAB Cc1c(CCC(=O)N2CCC(c3ccn4nccc4n3)CC2)cnn1C 257316619 VGIVIMIRGFXHOG-UHFFFAOYSA-N 352.442 2.110 0 40 FEAB CCOc1ccc(CN2CCC[C@@H](Cc3nccnc3N)C2)cc1CO 257336777 YPZQYMSNGGMBPV-HNNXBMFYSA-N 356.470 2.405 0 40 FEAB CNc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCN(C)C2 257235967 HAHKLHVMOHEZAG-HNNXBMFYSA-N 351.454 2.136 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2ccnc(O)n2)C1 257315108 UZYGJYZUVDNDEZ-CYBMUJFWSA-N 351.410 2.397 0 40 FEAB C=Cn1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c1C 257322575 WGNPUFVTQRQSTF-LPHOPBHVSA-N 366.469 2.180 0 40 FEAB Cc1noc(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 24670673 NKRQCIMQWYNNBW-GFCCVEGCSA-N 356.426 2.487 0 40 FEAB CN(C)C1(CNC(=O)CN2C(=O)CCOc3ccccc32)CCCCC1 24761476 JRKIRIVLRLSUMG-UHFFFAOYSA-N 359.470 2.183 0 40 FEAB O=C(NCCCc1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1 85466869 NAUPUBHNIKJQHE-SFHVURJKSA-N 357.454 2.273 0 40 FEAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC[C@@H]2CCCO2)n1 260717675 OYJAPHZIVGSNHZ-OLZOCXBDSA-N 365.503 2.329 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCOc2ccccc21 90583248 BSDLGYDAAAETBK-IBGZPJMESA-N 372.446 2.134 0 40 FEAB C[C@@H](NC(=O)NC[C@H]1CCCCN(C)C1)c1ncc(Br)cn1 624111734 CTRBBQKMDUPQJW-VXGBXAGGSA-N 370.295 2.331 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1 1146620711 FDGOPPBSOQZDDV-CYBMUJFWSA-N 358.467 2.060 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cn2ccc(C3CC3)n2)C1 585276826 RBAXZCGQMHRZQT-FQEVSTJZSA-N 355.438 2.111 0 40 FEAB CC(C)[C@@H](NC(=O)CN(C)CC(=O)NCC(F)(F)F)c1cccs1 47749254 ZLOYKHRPPPYVSP-CQSZACIVSA-N 365.421 2.172 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)CCC(=O)O 1775964456 XLDDPGCVJGBBDG-ARLBYUKCSA-N 350.459 2.173 0 40 FEAB biogenic,in-vitro CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@H](CO)[C@@H]1CN(CC)CC 1772595019 PZPGJFUKSVNOIJ-MISYRCLQSA-N 362.514 2.425 0 40 FEAB Cc1ncc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cn1 12142927 WAMGFCSUZVIFNL-UHFFFAOYSA-N 352.442 2.389 0 40 FEAB COc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 15734110 ZHWZAZAOBMJGOM-UHFFFAOYSA-N 357.391 2.394 0 40 FEAB O=C(c1ccco1)N1CCN(Cc2nc(-c3cccnc3Cl)no2)CC1 19293165 HXEAXMOOFCZTIR-UHFFFAOYSA-N 373.800 2.336 0 40 FEAB COc1ncc(C2(O)CCN(CCCc3ccccc3)CC2)c(OC)n1 19594844 XRLWIRJQJYSBLU-UHFFFAOYSA-N 357.454 2.410 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)c3cn(C)nc3C)cc2)ccc1C(N)=O 19700696 KCSGIXFBDPQNQX-UHFFFAOYSA-N 363.421 2.128 0 40 FEAB CCn1cncc1C(=O)N1CCC(c2ccc(C(=O)N(C)C)cn2)CC1 19708276 UVFBEYHEARWLPX-UHFFFAOYSA-N 355.442 2.020 0 40 FEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)C1CCCC1)CC2 19711459 VKZBPRZVQCZWBF-OAHLLOKOSA-N 357.502 2.402 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2cccs2)CC1 19867499 XNMFPDOOEUNTDZ-NWANDNLSSA-N 368.524 2.454 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Cl)cn1 11458520 AGLWIECQDFJHIQ-UHFFFAOYSA-N 357.753 2.372 0 40 FEAB COc1cc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc(OC)c1 16345513 KHZUXHXNJOEYSL-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1 5870955 GMUUJVKZUOWQKO-UHFFFAOYSA-N 358.300 2.139 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1NC(C)=O 9953547 NXEXMNMRUALNIU-UHFFFAOYSA-N 352.387 2.271 0 40 FEAB O=S(=O)(c1ccccc1F)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888885498 NALWWJROQCZWIR-RYUDHWBXSA-N 353.444 2.039 0 40 FEAB Cc1nc(CN2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)co1 1889148729 LZJSACJJMPQCML-UHFFFAOYSA-N 354.414 2.217 0 40 FEAB NC(=O)[C@@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 14013769 MVFYZNCLXRXUOY-SFHVURJKSA-N 351.450 2.232 0 40 FEAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 22699193 ACCRHSPTXMKWEA-KRWDZBQOSA-N 366.421 2.032 0 40 FEAB C[C@@]1(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)CC=CCC1 1565546117 UKCYTWJDOFPERK-MIALQEHNSA-N 362.470 2.293 0 40 FEAB Brc1cc2c(cc1Cn1nnc(-c3ccncc3)n1)OCO2 4770252 SBZFJTLDQWJYJQ-UHFFFAOYSA-N 360.171 2.275 0 40 FEAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 10220584 QTTQZNIPCVEQRN-AWEZNQCLSA-N 355.456 2.276 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@H]21 2055750944 PEHICAIEHIJWLN-QWFCFKBJSA-N 359.470 2.449 0 40 FEAB Cc1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)s1 2055773071 RJFXSONDUINNJX-UHFFFAOYSA-N 372.494 2.411 0 40 FEAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 30568730 ABOFBFQZEGOKSJ-UHFFFAOYSA-N 358.445 2.023 0 40 FEAB COc1ccccc1C(=O)NCc1ccccc1CN1CCN(C)CC1 40089765 OIPGRUPYIPFDAU-UHFFFAOYSA-N 353.466 2.373 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 40120977 QMHMEVCOORNAMC-UHFFFAOYSA-N 367.755 2.226 0 40 FEAB CNC(=O)C1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 52329756 SEUXXHVSVXLQRH-HXUWFJFHSA-N 357.498 2.492 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 32836498 QJDJWEXXDLMPBP-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB O=S(=O)(NC[C@@H]1CCN(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 32911878 GKBZCMHVNGIIAI-NSHDSACASA-N 364.389 2.348 0 40 FEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C 32901320 YQDQPUSIHTVFEN-CHWSQXEVSA-N 369.446 2.091 0 40 FEAB NC(=O)CN(c1ccccc1)[C@@H]1SC(=O)N(Cc2ccccc2)C1=O 3904404 WWMJBWYJNHKKKG-QGZVFWFLSA-N 355.419 2.200 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4085251 KFPISKGRZHKJSV-IOASZLSFSA-N 362.451 2.260 0 40 FEAB biogenic CC(=O)OCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 726462 NOGAWELXNGZLCE-GUMHCPJTSA-N 361.397 2.442 0 40 FEAB CCc1noc(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 7373189 GINLVWGCHWXBRU-UHFFFAOYSA-N 354.370 2.413 0 40 FEAB CN(CC(=O)Nc1cccc(Cl)c1)C1=NS(=O)(=O)c2ccccc21 7917606 LKACRNJOKNWWBL-UHFFFAOYSA-N 363.826 2.359 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 58172615 KDGJTIQHIFBQMV-GFCCVEGCSA-N 358.442 2.200 0 40 FEAB Cc1ccoc1C(=O)NCCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 97045899 GPPNHPGENDPMHN-MRXNPFEDSA-N 367.405 2.097 0 40 FEAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC2(CC1)OCCO2 24995585 CIPKCCWKSRAQKW-UHFFFAOYSA-N 369.343 2.421 0 40 FEAB Cc1ccccc1-n1cnn(CN2CCN(C(=O)C(C)C)CC2)c1=S 12532988 AVVBKXIFUGKXOK-UHFFFAOYSA-N 359.499 2.469 0 40 FEAB CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)O)cc3)C2=O)c1 25480288 PJSMLTJDHWZCPL-QGZVFWFLSA-N 366.373 2.260 0 40 FEAB COc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245565 HUJVGDPOJCZOAX-UHFFFAOYSA-N 363.439 2.190 0 40 FEAB COc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)c1c(C)noc1C 26398532 BWZSFMVZIHISTL-UHFFFAOYSA-N 352.412 2.323 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3cnn(CC)c3)ccc21 57280303 WWDKZCYEYMMXDC-UHFFFAOYSA-N 362.455 2.348 0 40 FEAB CS(=O)(=O)NC1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 10044505 CQIPXCYERQVIEP-UHFFFAOYSA-N 366.512 2.088 0 40 FEAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)N(C)c3ccccc3)C2=O)c(C)o1 58181770 AIGHQHWLHGOUJJ-IBGZPJMESA-N 355.394 2.326 0 40 FEAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)Nc1nccs1 58264420 WMWQRBJSTFVRMB-GFCCVEGCSA-N 354.476 2.461 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C 58006316 ZOMWSYXRZYXWQI-YQQAZPJKSA-N 361.486 2.169 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 55555198 XGRIOJDGUCFHEL-UHFFFAOYSA-N 363.391 2.242 0 40 FEAB COc1ccc(OC)c(CCN2C(=O)[C@H](CCSC)NC2=S)c1 58174031 DMYRAVUZXWOBTC-ZDUSSCGKSA-N 354.497 2.085 0 40 FEAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 36386882 CYBLQKAJJGAVSR-QLFBSQMISA-N 367.515 2.242 0 40 FEAB O=C1COc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2N1 11164702 CHSMCPWWSWSQRF-UHFFFAOYSA-N 362.389 2.176 0 40 FEAB CCCn1c(=O)n(C)c(=O)c2c(S[C@@H](C)C(C)=O)nc(C(C)C)nc21 36807361 MJDFOJFNSLEXKH-NSHDSACASA-N 364.471 2.093 0 40 FEAB O=C(O)CCN1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O 2503444 CDXQBRBNXAMJND-JTQLQIEISA-N 359.201 2.357 0 40 FEAB CCc1n[nH]c(SCC(=O)NCC2(c3ccccc3)CCOCC2)n1 48368324 STPYSHLAMRKKJX-UHFFFAOYSA-N 360.483 2.324 0 40 FEAB Cc1noc([C@@H](C)NC(=O)c2cccc(I)c2)n1 60241708 CDFOJXBFTCMWIT-SSDOTTSWSA-N 357.151 2.474 0 40 FEAB NC(=O)COc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1 8884381 MHSNRKOANXWMTQ-UHFFFAOYSA-N 360.385 2.279 0 40 FEAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12913112 WOLJWQFIJODZNR-UGSOOPFHSA-N 371.412 2.098 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCC(C)C 409000467 WSWPZRJIKPOUKB-ZFWWWQNUSA-N 350.415 2.170 0 40 FEAB COc1cc(CN(c2ccc3nnnn3n2)C2CC2)ccc1OC(F)F 13010338 KPGDNLATVZPCBA-UHFFFAOYSA-N 362.340 2.298 0 40 FEAB Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3ccco3)ccc21 13541069 YHONVFBONGZISW-UHFFFAOYSA-N 354.410 2.293 0 40 FEAB O=C(CSCC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(F)cc1 14111031 GBKKDQHWHXEUPQ-UHFFFAOYSA-N 373.409 2.483 0 40 FEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCCCCC1 14188045 JGESJLPIGAILSB-OAHLLOKOSA-N 363.487 2.381 0 40 FEAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc2ccccc12 14241248 PQLCFKQGXDUSMN-ZDUSSCGKSA-N 361.405 2.161 0 40 FEAB COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4731405 ZKACMKNEPKGWTM-HXUWFJFHSA-N 363.417 2.476 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 7814055 UTVPZRXRUGIHMK-UHFFFAOYSA-N 362.407 2.309 0 40 FEAB CNC(=O)[C@@H]1CCCN1CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 72580622 IQCJSWRAUHIFAB-INIZCTEOSA-N 372.494 2.191 0 40 FEAB Cc1[nH]ncc1CCCNC(=O)Nc1ccccc1CN1CCOCC1 69508619 XXZUNGHUVYTVHE-UHFFFAOYSA-N 357.458 2.305 0 40 FEAB C[C@@H](CCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1nnc2n1CCCC2 97162461 MXLJRKVHTYZNHD-UONOGXRCSA-N 367.453 2.340 0 40 FEAB CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 73557655 PBTNFOWMUWUIDR-GDBMZVCRSA-N 365.499 2.031 0 40 FEAB CC(=O)c1ccc(NC(=O)CC2=NS(=O)(=O)c3ccccc3N2)cc1 20618546 IPJNCLRVZQSTLY-UHFFFAOYSA-N 357.391 2.431 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1 1557847461 ZUYNCMHBYDPNFV-KRWDZBQOSA-N 355.438 2.428 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 32441109 NXCHVFFVTCLFRT-KBPBESRZSA-N 354.472 2.014 0 40 FEAB O=C(CSc1nnnn1-c1ccc(F)cc1)N1CCc2ccccc2C1 35316027 WRXZMOKVNCBCCV-UHFFFAOYSA-N 369.425 2.478 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217664121 WMUPMXCKBLOXTJ-GFCCVEGCSA-N 370.471 2.443 0 40 FEAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 8304302 NOEQSMSOPPRRNL-OUKQBFOZSA-N 374.462 2.244 0 40 FEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc2c1OCO2 31282657 MSOAVHHAZCMHDI-MRXNPFEDSA-N 359.378 2.386 0 40 FEAB in-man Nc1nccc(C2CCC(CNC(=O)[C@H](N)Cc3ccc(F)cc3)CC2)n1 72380002 BPIHAKZYWIDJBD-VMBOVVBDSA-N 371.460 2.158 0 40 FEAB COc1ccc(C)cc1NC(=O)COc1cc(C(=O)O)cc(C(=O)O)c1 217728513 HBQREHGNQIKADL-UHFFFAOYSA-N 359.334 2.418 0 40 FEAB Cn1cc(-c2ccccc2CNC(=O)N2CC[C@H](n3cccn3)C2)cn1 564765325 HTKCZYJBDOAAQD-KRWDZBQOSA-N 350.426 2.440 0 40 FEAB CC(C)(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226082527 YKVKBLBUTBSNFG-ZDUSSCGKSA-N 356.463 2.389 0 40 FEAB CN(C(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 222563975 DPMFSSWOGPJTPN-UHFFFAOYSA-N 350.415 2.250 0 40 FEAB CCNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1 225883566 GSHIDXIBRPDWSZ-UHFFFAOYSA-N 356.499 2.418 0 40 FEAB CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)N1CCO[C@@H](C(N)=O)C1 97402335 CTVSOLYMJAMMJJ-OAHLLOKOSA-N 371.441 2.023 0 40 FEAB COC[C@H]1CN(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC(C)(C)O1 579385191 MPFYHJFKAVKEEP-OAHLLOKOSA-N 359.426 2.196 0 40 FEAB CC(C)CNC(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244141 IYCICPVHRUYLGY-IBGZPJMESA-N 359.474 2.138 0 40 FEAB c1cncc(CN2CCOC[C@@H]2c2nccc(NC3CCOCC3)n2)c1 96218685 VYBWMBVVOXKXJW-QGZVFWFLSA-N 355.442 2.036 0 40 FEAB CO[C@](C)(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1F 96123614 CYHZKCZLMIJDKF-MRXNPFEDSA-N 355.435 2.016 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cs1 96209025 AJISVGFHAQDFDQ-CRAIPNDOSA-N 359.451 2.152 0 40 FEAB Cc1cc(CN2CC3(CC[C@@H](CN(C)Cc4ccco4)CO3)C2)n(C)n1 247932929 RIYMFQTWLDJAPL-KRWDZBQOSA-N 358.486 2.435 0 40 FEAB Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccncc2)C3)cs1 248028325 LDVBORVRARUJAD-OAHLLOKOSA-N 359.451 2.294 0 40 FEAB CN(C)c1ncc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 257338366 YXBLPMXRNWIBHQ-HWWDLCQESA-N 352.438 2.472 0 40 FEAB CC(=O)N1CCC[C@@H](Cc2cnc(-c3cnc4ncccn34)cn2)CC1 257229175 FWZISCPYEIEIRX-OAHLLOKOSA-N 350.426 2.377 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)COc1ccc(F)cc1 257269056 MOJZELLPJHRHRE-INIZCTEOSA-N 359.401 2.163 0 40 FEAB CCn1ncc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c1C 632778473 FSPVQKIXXIYLJL-UHFFFAOYSA-N 356.426 2.245 0 40 FEAB CN(CCO)CCNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 1644753023 KBLCCASFGCXOTM-UHFFFAOYSA-N 357.385 2.288 0 40 FEAB Cc1cc(Br)cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 682611285 VEBBAMWUGHTGTP-GDLCADMTSA-N 351.244 2.484 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccc(C)cc3)CC2)C1 585104295 YJZQJGUXYOXVSC-IBGZPJMESA-N 360.498 2.442 0 40 FEAB Cc1ccccc1OCC(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093163 GMEILOZAIFSICK-KRWDZBQOSA-N 352.381 2.090 0 40 FEAB COc1nc(C)cc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1 680623302 WBMQGMDXBFQDAR-UHFFFAOYSA-N 358.417 2.214 0 40 FEAB Cc1noc(CCC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 547695451 XLDYAJPNRPUKDJ-STQMWFEESA-N 352.435 2.101 0 40 FEAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(Cl)sc1Cl 643972423 QIKKPJDCWBCZIZ-LLVKDONJSA-N 374.267 2.309 0 40 FEAB COc1ccc(CN(C)C(=O)c2cnc3scc(C)n3c2=O)cc1OC 19240342 UEFVKQUDBHKVRP-UHFFFAOYSA-N 373.434 2.354 0 40 FEAB Cc1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)CN(Cc1ccccc1)CC2 19286197 MXUNOZMOQVOFBO-QGZVFWFLSA-N 365.481 2.045 0 40 FEAB C[C@@]1(CCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)NC(=O)NC1=O 19460300 LPYKFBXDFVCZJG-SFHVURJKSA-N 362.405 2.133 0 40 FEAB Cc1cc(C)nc(N2CCC(CC(=O)NC[C@H]3CCCCN3C)CC2)n1 19748206 MNBZIIWLQZSLAU-GOSISDBHSA-N 359.518 2.300 0 40 FEAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)N(C)C 19754193 DRZQGRPUXXWBPY-INIZCTEOSA-N 353.426 2.249 0 40 FEAB CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)s1 151669876 WYIVSMAJGSKNMX-UHFFFAOYSA-N 373.478 2.332 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 6976077 KFHWNKLERFAUMI-UHFFFAOYSA-N 371.462 2.029 0 40 FEAB Fc1cnc(N2CCC(COc3ncc(Br)cn3)CC2)nc1 1888843804 YWUMILDTJODNAK-UHFFFAOYSA-N 368.210 2.464 0 40 FEAB Cn1cc(-c2ncnc3c2CN(C(=O)c2cccc(Cl)n2)CC3)cn1 1565555686 FUOANMRGIWLXNW-UHFFFAOYSA-N 354.801 2.124 0 40 FEAB O=C(c1cccc(Cl)n1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565556570 VZOYOFXEIHSNMB-GOEBONIOSA-N 361.829 2.301 0 40 FEAB COc1ccc(OC)c2sc(N3CCN(C(=O)c4ccno4)CC3)nc12 10254128 WJGUNVQFAYAQQM-UHFFFAOYSA-N 374.422 2.264 0 40 FEAB O=C(Cc1cccc2ccccc12)N1CCN(c2ccc3nncn3n2)CC1 13700245 CUAZNWYHJJYZEE-UHFFFAOYSA-N 372.432 2.169 0 40 FEAB Cc1nc(C)c(C(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)s1 575613455 SFSUSIZKNMMZBT-UHFFFAOYSA-N 366.468 2.451 0 40 FEAB Cc1cc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)n(C)n1 585620823 KMIHLSVEXXFUNR-UHFFFAOYSA-N 355.442 2.076 0 40 FEAB CSc1ncccc1C(=O)Nc1ccc(CC(=O)NC(C)(C)CO)cc1 44034425 GYFCHABOWQKZRA-UHFFFAOYSA-N 373.478 2.485 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(C)ccc2n1 38296983 RMTVMNVTAJPJMS-GOSISDBHSA-N 363.417 2.103 0 40 FEAB COc1cc(CNC(=O)Cn2nc(C)cc2C)ccc1OC[C@H]1CCCO1 40106783 PBPOMUIHYZGOHG-QGZVFWFLSA-N 373.453 2.383 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)n1cnc2ccccc21 30581909 KGIHZHDAOJAINJ-CQSZACIVSA-N 351.410 2.468 0 40 FEAB O=C(NCCOc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31216932 QWBGOTAPPSJWMT-AWEZNQCLSA-N 373.840 2.279 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3ccn(C)n3)n2)cc1OC 32778150 ZRFSHVIAFPNYFH-UHFFFAOYSA-N 357.370 2.059 0 40 FEAB CCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1CCOC 32881555 BKAXBBAKBJBGAZ-UHFFFAOYSA-N 370.862 2.274 0 40 FEAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1(C(=O)NC2CC2)CCC1 79361951 AMCHVVPBCFJHKL-UHFFFAOYSA-N 374.828 2.455 0 40 FEAB CC(C)[C@H](C(=O)N[C@@H]1CCCCNC1=O)n1cnc2cc(F)c(F)cc21 61382403 BLBBADHGXKFEBL-CZUORRHYSA-N 364.396 2.297 0 40 FEAB O=C(NC(C1CC1)C1CC1)c1ccc(=O)n(CCOc2ccccc2)n1 22698464 QYUUYQZHLLHEAP-UHFFFAOYSA-N 353.422 2.241 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6933912 KSPIJCWMSBFJCG-NXEZZACHSA-N 363.277 2.031 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3nc(-c4cccc(C)c4)cc3n2)CC1=O 100775891 RAOZQTXCLCZXHJ-HNNXBMFYSA-N 366.421 2.373 0 40 FEAB CCC(CC)(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(=O)O 10171002 XFSHXJRTFFEYHV-UHFFFAOYSA-N 356.444 2.170 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1 10430298 KACYNJLPEHGCSZ-UHFFFAOYSA-N 365.499 2.287 0 40 FEAB COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC 3045769 ZTBLIQZKNPHGLX-UHFFFAOYSA-N 373.438 2.489 0 40 FEAB COc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 8167592 DFODRPZEVYSZNE-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(N2CCCCC2)nc1 24032026 FFWCRKIISXQICD-UHFFFAOYSA-N 352.438 2.369 0 40 FEAB CCCCn1c(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc(C)c1C 12520310 NVQCQJQWACOQLD-MRXNPFEDSA-N 373.544 2.086 0 40 FEAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1cnc2ccccc2n1)C3 24993312 VNJLRODLFFIAOF-UHFFFAOYSA-N 362.418 2.415 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCOc1ccc(Cl)cc1)CS2 26052814 OLEATLWYXJQJAU-BBRMVZONSA-N 354.859 2.289 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)CC1=O 100775842 SLWFFLWNHTUOOK-HNNXBMFYSA-N 366.421 2.373 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 57988840 FECFMSBTVJPYIH-UONOGXRCSA-N 363.458 2.323 0 40 FEAB O=C(NCCn1nc2ccccn2c1=O)Nc1ccccc1C(F)(F)F 58194938 JWLAHMJTHBETMM-UHFFFAOYSA-N 365.315 2.337 0 40 FEAB COc1ccc(CN2CCC(C(N)=O)CC2)c(Br)c1OC 55897461 RUWVKLDRBIMYGC-UHFFFAOYSA-N 357.248 2.164 0 40 FEAB CNc1snc(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 27674515 FHRKUGKYGFRTSQ-HNNXBMFYSA-N 360.483 2.124 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 58208434 WDOIBHFVUOZDCR-ZDUSSCGKSA-N 357.454 2.177 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)on1 58231354 CUJDKQGTBGPGCC-ZDUSSCGKSA-N 352.435 2.301 0 40 FEAB Cc1cc(=O)c(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)co1 72403311 NRIVYYCJCZIPMZ-UHFFFAOYSA-N 374.412 2.247 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 58341778 FUHKOLUNYKMEPT-KBPBESRZSA-N 353.260 2.489 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1 113870620 YILGOMHNDKPLSX-UHFFFAOYSA-N 362.407 2.233 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 64947091 IPDRBRGPRLZSAA-UHFFFAOYSA-N 364.404 2.130 0 40 FEAB Cc1ccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(C)c1 45200706 LKUWZEJHEZYUMR-UHFFFAOYSA-N 351.406 2.013 0 40 FEAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)NC1CC1 36597366 LGUNSNCOVGXXEM-MRXNPFEDSA-N 372.400 2.033 0 40 FEAB Cc1ccccc1-c1noc(CN2C(=O)C(=O)N(Cc3ccco3)C2=O)n1 12813600 SHHAWVCPBBLTCU-UHFFFAOYSA-N 366.333 2.129 0 40 FEAB CCN1CCN(c2ccc(NC(=O)CNC(=O)C(C)(C)C)c(C)c2)CC1 29375435 OKPAMCIQYQQALM-UHFFFAOYSA-N 360.502 2.238 0 40 FEAB COc1cc(OC)cc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1 13015072 FLHMQJRBVRRVRJ-UHFFFAOYSA-N 360.385 2.311 0 40 FEAB C[S@@](=O)c1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 65492624 PENUESAKAAOIEA-NSYGIPOTSA-N 356.447 2.127 0 40 FEAB COc1ccc(OC[C@@H](O)CN(C)C(=O)[C@H](C)Oc2ccccc2)cc1 9851467 QVYICAWZKWVOKO-HOTGVXAUSA-N 359.422 2.361 0 40 FEAB O=C1C[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)c2ccc(F)cc2N1 14380553 XVMVPXIQODRREU-HNNXBMFYSA-N 370.384 2.122 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2ccccn2)C(C)C)c1 6858957 IRENIODFWCADCL-GOSISDBHSA-N 371.437 2.170 0 40 FEAB CCc1c(C(=O)N2CC[C@H](N)C2)cnn1-c1ccc(Br)cc1 97020002 LTGVLEQKNGJEEO-LBPRGKRZSA-N 363.259 2.370 0 40 FEAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCOCC1 7763838 KIXIZCXRBZGWEX-UHFFFAOYSA-N 364.496 2.216 0 40 FEAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 68430116 QNLZMNXZVLINOR-KGLIPLIRSA-N 373.453 2.390 0 40 FEAB CCCCNC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 17042635 VPWIRFPFPFQRBX-SFHVURJKSA-N 365.433 2.390 0 40 FEAB Cc1nc(-c2cccs2)ccc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 9586568 HPUOIBUIRGMLMC-NSHDSACASA-N 359.407 2.216 0 40 FEAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 408551402 HRLLGEOVHLSFFC-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB O=C(NCCCN1CCCC1)C1CCN(C(=O)c2cccc(F)c2)CC1 72272924 QGPABDDUQIRRDY-UHFFFAOYSA-N 361.461 2.280 0 40 FEAB CCC[C@@H](C)CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1 172089585 OMWRFZTVEGOVBK-MRXNPFEDSA-N 352.500 2.139 0 40 FEAB CN1CC[C@H](NC(=O)CCNC(=O)c2ccsc2)[C@@H]1c1ccccc1 89375134 QJWOLSJWGCHULC-WMZOPIPTSA-N 357.479 2.430 0 40 FEAB C[C@H](C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1 89420156 KFCSUMDOQBLCJL-GFCCVEGCSA-N 355.431 2.087 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 30584137 NCRPYMOFZWALAO-ZDUSSCGKSA-N 364.389 2.249 0 40 FEAB Cc1c(F)cccc1NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1 409005110 ZFXSOEIJVMIKGE-HNNXBMFYSA-N 359.357 2.105 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2CCOCC2)cc1OCc1ccncc1 553307395 NOJLNGLZXMAJJU-HNNXBMFYSA-N 371.437 2.328 0 40 FEAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1 72847436 NGSGXOUUQAFBHB-UHFFFAOYSA-N 355.423 2.302 0 40 FEAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218504398 AIYHUHUOFRKZPS-BQFCYCMXSA-N 363.410 2.026 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)c1ccccn1 566506668 YUDFMBQFVKVOGI-MRXNPFEDSA-N 353.378 2.413 0 40 FEAB CN1CCN(C(=O)C2CCCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355086 FPAKJVSEZJWFFV-INIZCTEOSA-N 359.518 2.056 0 40 FEAB CC(C)[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nccs1 75567563 UAAJHBPJMJZFSQ-UONOGXRCSA-N 361.423 2.062 0 40 FEAB CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3ccccc3n2C)ncn1 525213943 WRKNRICXOFRNFS-HNNXBMFYSA-N 364.453 2.409 0 40 FEAB COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157300 AMSKNBCNDMHFOW-GOSISDBHSA-N 368.433 2.015 0 40 FEAB Cn1c(C(=O)NCc2cccnc2)nc2c1CCN(Cc1ccccc1)C2 96147096 PWGSZSIWLKCSBZ-UHFFFAOYSA-N 361.449 2.303 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1ccccn1)C2 96230459 LTKZJKKEDBURKR-FQEVSTJZSA-N 354.429 2.144 0 40 FEAB COc1ccc(N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)nn1 95478529 FZFUURLGHDDEMD-ZDUSSCGKSA-N 370.409 2.112 0 40 FEAB COc1ccc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 96115247 HXCLRDMVSCKCDK-MRXNPFEDSA-N 373.405 2.043 0 40 FEAB biogenic Cc1ncoc1C(=O)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 96110418 HFOHFPQFSOCPAK-APWZRJJASA-N 357.410 2.216 0 40 FEAB CC1(c2cc(NC(=O)N3CCCC[C@@H]3CS(C)(=O)=O)no2)CCCC1 583548403 MLTKZZFYZOXQHW-CYBMUJFWSA-N 369.487 2.937 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C 248069873 XCAGYPPXTZQIJT-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB COC(=O)CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257294511 QUMQCUOIZSTEPC-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)ncn1 257217657 CZZDEHJDZCQILC-AWEZNQCLSA-N 370.428 2.412 0 40 FEAB O=S(=O)(C1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1 257223920 DZNQBBWDFFUUJD-UHFFFAOYSA-N 350.488 2.406 0 40 FEAB CN(c1ccncn1)C1CC2(CCN(S(=O)(=O)c3ccccc3)C2)C1 257331532 XTGSKBQLAPIKPL-UHFFFAOYSA-N 358.467 2.156 0 40 FEAB Cc1cc(F)ccc1CC(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257239088 HNXMPGAXMVZLCN-QGZVFWFLSA-N 359.401 2.032 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)Cc1cccs1 257259263 KXNVCKAMXJOPIU-LBPRGKRZSA-N 353.469 2.171 0 40 FEAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 260897599 JEDXZEHOFSJYDF-UONOGXRCSA-N 356.488 2.319 0 40 FEAB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 260895314 HRPPRMOVWJEWBT-CZUORRHYSA-N 356.488 2.401 0 40 FEAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 621424833 HWLWQRAUFNDWSI-WCVJEAGWSA-N 363.408 2.488 0 40 FEAB Cn1cc(-c2cccc(NC(=O)NCc3cccc4c3CCNC4)c2)nn1 632954415 BTPTVQLGFQJXAF-UHFFFAOYSA-N 362.437 2.450 0 40 FEAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCc3cc(Cl)ccc3C2)cnn1C 643779333 ZAROUYYMIOYUAH-MSOLQXFVSA-N 358.873 2.270 0 40 FEAB COc1ccnc(CN2CC[C@H](C(=O)NCc3ccccc3)C2)c1OC 646057995 VOQNLWLKSQEJRV-INIZCTEOSA-N 355.438 2.237 0 40 FEAB CC(C)[C@H]1C(=O)NCCN1Cc1csc(-c2cccc(C(=O)O)c2)n1 652409496 GJYBFSGDHIOHNU-HNNXBMFYSA-N 359.451 2.465 0 40 FEAB COCCOc1ncccc1NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C 665964912 YXBPJEYQHLSPAA-PWSUYJOCSA-N 363.336 2.290 0 40 FEAB O=C([C@@H]1OCC[C@@H]1c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 667423944 YSJIMROWVLZUQW-XUVXKRRUSA-N 358.482 2.272 0 40 FEAB O=C1NCCN(C(=O)c2noc3c2CCCCC3)[C@H]1c1ccccc1F 672955233 SRLWBMCREDSGDG-KRWDZBQOSA-N 357.385 2.396 0 40 FEAB O=C(Nc1ccccc1-c1nn[nH]n1)c1ccn(CCC(F)(F)F)n1 1301888331 RGDPJOKLSSHLIK-UHFFFAOYSA-N 351.292 2.268 0 40 FEAB CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnc2n1CCC2 484978731 SGVMTKFMIKSORU-UHFFFAOYSA-N 365.411 2.116 0 40 FEAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@@H]2C)c1 585097738 NOYNUIZVENDJSW-INIZCTEOSA-N 364.449 2.349 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2 585102806 IGWPSYCQZJXARN-CQSZACIVSA-N 372.918 2.461 0 40 FEAB O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 66840500 JSDWDNCVDRJIDT-UHFFFAOYSA-N 355.442 2.259 0 40 FEAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@H]1c1nnc2n1CCCCC2 47404768 DMGUVINJCVFHCP-HNNXBMFYSA-N 371.485 2.418 0 40 FEAB Cc1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)ccc1-n1cnnn1 48251815 SFKCLHWDDITDQE-HNNXBMFYSA-N 371.470 2.457 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)o1 57034149 PGIUVVIESWTPPY-UHFFFAOYSA-N 364.301 2.120 0 40 FEAB C[C@@H]1CN(C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc2O1 567844729 BXSOYMZMECGGGL-CYBMUJFWSA-N 359.451 2.336 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 14117415 JZCQEILUUCRECN-UHFFFAOYSA-N 372.368 2.212 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)c1 14140152 GQTVZLMKKSTGSQ-ZHACJKMWSA-N 372.446 2.248 0 40 FEAB CC1CCN([C@H](CNS(=O)(=O)c2cnn(C)c2)c2ccccc2)CC1 19662825 FMFWGJRKDZZWNQ-GOSISDBHSA-N 362.499 2.172 0 40 FEAB O=C(NCC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)CCO1)c1ccncc1 19712097 PUODLJPNYFRPGE-FUHWJXTLSA-N 374.462 2.223 0 40 FEAB O=C(O)CC1(NCc2cc3c(cc2Br)OCO3)CCOCC1 662212894 QQEWAWRZNWPTGA-UHFFFAOYSA-N 372.215 2.291 0 40 FEAB C[C@@H]1CN(C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@@H](C)O1 19912342 XUFNUSDPUIGUQX-RBSFLKMASA-N 373.449 2.131 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257330212 XNKAKURCZZUUHJ-INIZCTEOSA-N 353.382 2.290 0 40 FEAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)ccc1O)c1ccccc1 5680296 RWWRMQBJIWJRET-INIZCTEOSA-N 356.378 2.444 0 40 FEAB CCN=c1nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)cc(C)[nH]1 1889108455 OCAFCURKQWDQFX-UHFFFAOYSA-N 353.474 2.023 0 40 FEAB CN(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1cccs1 21971869 PJAUGLUTYZOUKR-UHFFFAOYSA-N 374.528 2.224 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 5251291 LVHAFLVLAQGPCO-UHFFFAOYSA-N 365.389 2.252 0 40 FEAB COc1ccc2c(C)cc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2c1 2086889713 SIBJUXDIMJGSBI-UHFFFAOYSA-N 361.467 2.166 0 40 FEAB O=S(=O)(NCc1nccnc1-c1ccco1)c1ccc2c(c1)CCO2 575621082 XMGFRILBWNIYNB-UHFFFAOYSA-N 357.391 2.150 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)N(CCO)Cc3ccccc3)CC2=O)cc1 4359956 PAYPBPHMLKFNSS-GOSISDBHSA-N 367.449 2.304 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)N1 40023683 ZLTROZNIZMKJTE-UHFFFAOYSA-N 365.389 2.293 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)c2ccccc2O1 40122746 WMGPIAZRPWSAIH-MRXNPFEDSA-N 356.426 2.100 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 40105031 ZRVHXOXGWYKIGY-INIZCTEOSA-N 371.470 2.457 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2nncc(O)n2)sc(C)c1C 32521246 XUTTYKMOPQNZCI-UHFFFAOYSA-N 368.440 2.163 0 40 FEAB C[C@@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1 12296605 MWKDAISBDAMQSS-ZDUSSCGKSA-N 353.374 2.336 0 40 FEAB biogenic CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 78479798 CGTFXVAXJREHRZ-OLZOCXBDSA-N 359.426 2.355 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc2c(c1)OCO2 1466700 ZDODKPOILKIUCQ-UHFFFAOYSA-N 366.373 2.108 0 40 FEAB C[C@@H]1CN(CCNC(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 42032178 REQYTZNHUVWWIT-ZIAGYGMSSA-N 363.483 2.038 0 40 FEAB CCn1c(=O)c2sccc2n(Cc2cc(C(=O)OC)ccc2OC)c1=O 6679111 PGSUDDMTYCZSAC-UHFFFAOYSA-N 374.418 2.088 0 40 FEAB COc1ccc(CC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cc1 7370922 OUXNIWDCXWCEFZ-UHFFFAOYSA-N 365.393 2.492 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1N1CCOCC1 7722808 FTQUNJKAZIVFLH-UHFFFAOYSA-N 365.434 2.005 0 40 FEAB CCS(=O)(=O)N(C)CCCNCc1c(C)nn(-c2ccccc2)c1C 54465424 CSDYLODBCLOOBD-UHFFFAOYSA-N 364.515 2.250 0 40 FEAB COc1cccc([C@@H](NC(=O)/C=C/c2cnn(C)c2)c2nccn2C)c1 24019726 UHTLBFJGBDCFGZ-LKGOPFMKSA-N 351.410 2.081 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 43013793 QSSJSWQFLCJVIQ-MRXNPFEDSA-N 368.481 2.327 0 40 FEAB CCCCn1nc(C(=O)NCc2ccccc2Cn2cccn2)ccc1=O 24623921 WXUAFVCRHKWCAT-UHFFFAOYSA-N 365.437 2.218 0 40 FEAB CCc1nc(SCC(=O)NC(N)=O)nc(N)c1-c1ccc(Cl)cc1 25055614 IDBPMNDNTNMAOV-UHFFFAOYSA-N 365.846 2.229 0 40 FEAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(C(N)=O)cc1 25701464 HAVSXGJSWSZSFK-ZDUSSCGKSA-N 366.421 2.351 0 40 FEAB O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc2c(c1)OCO2)[C@H]1CCCO1 103213181 VWIYGQBHSMAOHH-YCXXCVGLSA-N 358.438 2.206 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 43701104 BASLQRQSVVUTPS-JTQLQIEISA-N 362.245 2.145 0 40 FEAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 12647750 GTMBNLTZIPGBCJ-UHFFFAOYSA-N 353.426 2.013 0 40 FEAB COCc1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58266394 XGPZOUJVGPVOJX-UHFFFAOYSA-N 353.422 2.263 0 40 FEAB Cc1ccc(-c2cc(C(=O)NCc3ccc(-n4cncn4)nc3)n[nH]2)s1 58202382 JAVWVKIGTBIDJQ-UHFFFAOYSA-N 365.422 2.352 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COC)c1 12771104 DILIKWVQJMXGFY-UHFFFAOYSA-N 358.460 2.089 0 40 FEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 27934276 LZWRCZSFDHUXLU-QWRGUYRKSA-N 365.904 2.410 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)CC(NC(=O)c1cnn(C)c1)C2 108531346 ZYNLZWNLGPCVPX-UHFFFAOYSA-N 359.499 2.360 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 36837902 ZFIZRRCYTBIKFC-WMZOPIPTSA-N 368.437 2.345 0 40 FEAB C[C@]1(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1(Cl)Cl 3391933 PAYVHUWWLNJFAU-CQSZACIVSA-N 360.193 2.159 0 40 FEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CC(=O)N2 46224395 RWQQMJVOWIPGGY-SWLSCSKDSA-N 355.438 2.150 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)Nc1cccc(C(=O)NC2CC2)c1 12885077 DZZXHABYMOUUJA-UHFFFAOYSA-N 355.369 2.086 0 40 FEAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cnccn1 6486240 PLOAGFZXPWZXLD-UHFFFAOYSA-N 363.395 2.073 0 40 FEAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)NCCN1CCOCC1 14197561 ICZCUFGVHLVOTI-AATRIKPKSA-N 361.442 2.411 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN(C)c1nnnn1-c1ccccc1 6559112 SMJOQEJJBKHKPX-UHFFFAOYSA-N 372.816 2.399 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)Cn1c(=O)oc2ccccc21 6605780 OIBCKTXYGFSTDQ-UHFFFAOYSA-N 357.385 2.329 0 40 FEAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1C1CC1 5628893 GIGVBCPZAVBSFX-UHFFFAOYSA-N 357.410 2.356 0 40 FEAB CCOCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1 4815726 NTGALOKUJNCGCV-UHFFFAOYSA-N 369.468 2.018 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)CCc2c(F)cccc2F)CC1 66842466 FBUMXZSBYQRQRE-UHFFFAOYSA-N 374.453 2.170 0 40 FEAB CCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)n2nc(C)cc2C)cc1 15829274 CMSIABFKSRMIQG-UHFFFAOYSA-N 373.438 2.275 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 8051278 DWPXLHCIPNMTRJ-UHFFFAOYSA-N 368.405 2.090 0 40 FEAB Cc1cccc(N2C[C@@H](C(=O)OCc3ccc(C(N)=O)cc3)CC2=O)c1C 16809674 SQHNLOGPGVYFRZ-KRWDZBQOSA-N 366.417 2.499 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 9548312 YEFYYYHUKPUFOW-ZDUSSCGKSA-N 368.389 2.473 0 40 FEAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2F)n2nnnc2N1 17057388 WPXMWTLCOCKVLZ-KRWDZBQOSA-N 364.384 2.418 0 40 FEAB c1cnc(NCC[C@@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1 306129441 IDJKNUHZUBQVNX-CQSZACIVSA-N 355.471 2.264 0 40 FEAB COc1ccccc1CN(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 18076360 UMSRLBMMHJPOBA-UHFFFAOYSA-N 367.405 2.019 0 40 FEAB CC(C)c1cc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nc(C(C)C)n1 95452437 RCMPIHJEMAATLN-UHFFFAOYSA-N 369.469 2.374 0 40 FEAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 95985656 CGDOXVMFUQXBLH-ZJWNCGCPSA-N 361.471 2.447 0 40 FEAB C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@H](C)O1 89930219 XJISTFBNMASBDG-QWRGUYRKSA-N 368.817 2.076 0 40 FEAB CCN1CCC[C@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 9314726 INWAEGGDSCZBTM-AWEZNQCLSA-N 370.449 2.261 0 40 FEAB Cc1ccnc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 9322049 LBBDXPMKRNRGHY-FQEVSTJZSA-N 364.405 2.112 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)NCc1ccccc1 21131548 ZKTMUUZCMSWQFJ-OAHLLOKOSA-N 370.380 2.038 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nc(C3(C)CC3)no2)CC1 516909226 KJEURSDNPYJYRV-UHFFFAOYSA-N 366.443 2.294 0 40 FEAB O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 56906521 SJNWJXYOQIZYMU-GFCCVEGCSA-N 374.340 2.435 0 40 FEAB O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cnn(Cc2ccccc2)c1 531742088 INWJWYFHNMHSIP-UHFFFAOYSA-N 361.401 2.283 0 40 FEAB O=C(O)[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218060532 IAIHLIFPOLPONP-VYDXJSESSA-N 366.822 2.343 0 40 FEAB Cn1cc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)cn1 72392849 AQMNVAZFVLYVJR-UHFFFAOYSA-N 350.426 2.357 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCCC1=O 44947074 KKXOTTNCYBWMQG-CYBMUJFWSA-N 352.456 2.243 0 40 FEAB O=C(NC[C@@]1(O)CCOc2ccccc21)c1cc(=O)c2ccccc2o1 75158134 DQOQTUWUODRKBJ-FQEVSTJZSA-N 351.358 2.193 0 40 FEAB biogenic COc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(C)c1 224228750 FCQHKFVZTZSBEJ-UHFFFAOYSA-N 371.441 2.260 0 40 FEAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCc4cccs4)O[C@@H]3C2)nn1 96043028 NKKMWWANCXEZCZ-CWRNSKLLSA-N 358.467 2.147 0 40 FEAB COCC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2csc(C)n2)C1 96040159 NPXLNQUAROLIAI-DOTOQJQBSA-N 354.472 2.012 0 40 FEAB COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1 96061109 PVDWJSPXAGSCQK-AWEZNQCLSA-N 358.471 2.079 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)cc1 96240095 FMBKTJFRNVCNSZ-OAQYLSRUSA-N 367.449 2.024 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1cccnc1 96208436 QNIPDGDCYSLQLV-LZLYRXPVSA-N 357.479 2.439 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257232728 GMCWWCVHDFVYGX-UHFFFAOYSA-N 361.471 2.206 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)cn1 257294523 QUNWIXAHHSFMBD-KRWDZBQOSA-N 355.486 2.148 0 40 FEAB Cc1ccc([C@H](C)CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)cc1 1775962081 RMPMAMPDKURNGD-MRXNPFEDSA-N 368.481 2.459 0 40 FEAB COc1cc2c(cc1CNC(=O)c1ccc3c(c1)OCC(=O)N3)CCC2 97575110 AKWZVVFXLLYPQS-UHFFFAOYSA-N 352.390 2.445 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)C(C)(C)CO 616863224 KFRHEPXVPADIPF-MRXNPFEDSA-N 353.426 2.095 0 40 FEAB O=C(NCCC1CS(=O)(=O)C1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 623922963 OYHVEBANYYUGOE-CQSZACIVSA-N 372.437 2.289 0 40 FEAB CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)N(C)C)cc1 659492741 JCJUUYRDJKVVQZ-KURKYZTESA-N 366.481 2.157 0 40 FEAB Nc1cccc(S(=O)(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 681092351 IVRWFNIFMHQBSO-GFCCVEGCSA-N 367.421 2.352 0 40 FEAB Cc1ccccc1C(=O)N1C[C@H]2OC[C@H](CC(=O)N3CCCCO3)[C@H]2C1 585108509 PPVZMJOEGMMPSG-CGTJXYLNSA-N 358.438 2.026 0 40 FEAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc2ccccc12 585295166 NYQYOTVTFQCHSM-GSPCLOLRSA-N 363.457 2.349 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(F)C2)O1 585108539 CAQVPXAKMUBZNM-IYKNYXLFSA-N 366.458 2.261 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)c(F)c1 585124179 MJWKUZMFDJGLDS-UHFFFAOYSA-N 350.375 2.252 0 40 FEAB CC(C)n1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)cn1 585099059 HCINGSZFGUXFLH-KRWDZBQOSA-N 371.485 2.452 0 40 FEAB COc1ccc(C(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cc1F 1549162505 RGEFDOVYVNZSDO-UHFFFAOYSA-N 370.380 2.393 0 40 FEAB O=C(Cc1cccs1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615127513 QNXZTBBIQPVSFZ-IBGZPJMESA-N 356.447 2.325 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@@H](c2ncncc2-c2cc(C)no2)C1 12118367 NKYWAXAFIPPGHM-OAHLLOKOSA-N 357.458 2.488 0 40 FEAB Cc1cccc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 13227636 YBTXBCAMVAHYOO-IBGZPJMESA-N 372.494 2.332 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2sccc2C1 14218717 IRDIHKZXHXCJCK-UHFFFAOYSA-N 357.479 2.161 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 16642385 NQJMPLNDHGLKJE-HUUCEWRRSA-N 368.474 2.485 0 40 FEAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)NC(=O)N3)sc2C1 19082481 RYXJPGSEEBGFJN-MWLCHTKSSA-N 364.471 2.221 0 40 FEAB COc1ccc(-c2nc(C(=O)N[C@@H](C)CN3CCOCC3)cs2)cc1 19717300 VAKPQNXPEURPTJ-ZDUSSCGKSA-N 361.467 2.269 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 169680695 ZEJNZVAKHQAOSB-KFWWJZLASA-N 353.397 2.378 0 40 FEAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)C3CC3)c2n1 8945484 FHVMVINITQBTBL-UHFFFAOYSA-N 360.487 2.065 0 40 FEAB Cc1nc(O)nc(O)c1CN1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@H]2C1 257366561 QXVOYZVKASRLFL-ROOHIHILSA-N 373.428 2.455 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 7046648 UIIPHDZZMVMKGP-UHFFFAOYSA-N 360.410 2.352 0 40 FEAB O=C([C@@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCCCC1 1888853347 HMKFVCUTLYGONZ-ZDUSSCGKSA-N 372.238 2.201 0 40 FEAB O=C([C@H]1CCOC1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864221 ULPRSIITODYPAM-INIZCTEOSA-N 370.453 2.261 0 40 FEAB Cc1ccnc(N2C[C@@H]3CN(C(=O)NCc4ccc(F)cc4)C[C@H]3C2)n1 1888867074 KYPUYFMIFHAVBR-HZPDHXFCSA-N 355.417 2.202 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccnc(CN(C)C)c2)n1 1848352407 HRTYWKAAQQOBGX-MRXNPFEDSA-N 357.458 2.385 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cc(F)ccc1F 11744457 FCFJPMZMMKZUSY-UHFFFAOYSA-N 371.347 2.405 0 40 FEAB COc1cc(N2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2=O)ccn1 1775973655 PZEURQZKMDSFJG-UHFFFAOYSA-N 363.776 2.372 0 40 FEAB CNC(=O)c1nsc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1N 49006208 GGEJYXPQMBFMCD-UHFFFAOYSA-N 358.345 2.034 0 40 FEAB FC(F)(F)c1cccc(OCC2CCN(CCn3nccn3)CC2)n1 585532333 PVLHFHQFXGKWML-UHFFFAOYSA-N 355.364 2.483 0 40 FEAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1ccc(Br)s1 618256439 IHESYAMQKGVGLZ-LLVKDONJSA-N 352.275 2.260 0 40 FEAB O=S1(=O)N=C(NCc2ccc(Cn3ccnc3)cc2)c2ccccc21 40067673 FCLHKCULHWYHOK-UHFFFAOYSA-N 352.419 2.170 0 40 FEAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)NCc1ccccc1F 21562464 JAPVDDPVKNITQQ-ZDUSSCGKSA-N 360.385 2.092 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1 916149 BJDIILQRJDXVGH-CYBMUJFWSA-N 363.439 2.274 0 40 FEAB CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 1343390 QBLUXRUKRCNVTH-DLBZAZTESA-N 361.442 2.377 0 40 FEAB COc1ccc(CNS(=O)(=O)NCc2ccc(Cl)cc2)cc1OC 1387524 CRBUWJHJVFUQLU-UHFFFAOYSA-N 370.858 2.481 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2296495 FIMUIQREJUDIOR-UHFFFAOYSA-N 353.378 2.307 0 40 FEAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC[C@@H]1CCCO1 2776633 HDQJQTQSLPMIQS-LURJTMIESA-N 356.142 2.110 0 40 FEAB COCCN(CCOC)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3251931 FVLLXFRSCWHEIV-UHFFFAOYSA-N 364.225 2.272 0 40 FEAB O=S(=O)(c1ccc(I)cc1)N1CCCCC1 3901895 OVTHYVDHBBNZJO-UHFFFAOYSA-N 351.209 2.466 0 40 FEAB O=C(NN1CC(=O)N(CCc2ccccc2)C1=O)c1nccc2ccccc12 5018966 QOKOOADDGCCCPN-UHFFFAOYSA-N 374.400 2.387 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 5250685 XMEFVNJVASOFDX-UHFFFAOYSA-N 366.464 2.417 0 40 FEAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)c1 6390089 NRMGKXZKXVNESQ-UHFFFAOYSA-N 357.435 2.294 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1 6508408 LISWQUFNSQCWKI-UHFFFAOYSA-N 362.433 2.205 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2ncccn2)oc(C)c1C(C)=O 6986829 PFRSWZYUQZOVAW-UHFFFAOYSA-N 363.395 2.488 0 40 FEAB Cc1c(NC(=O)CSc2nncs2)c(=O)n(-c2ccccc2)n1C 7195140 WFQGUZNMAYJDFY-UHFFFAOYSA-N 361.452 2.067 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)[C@@H]1C 7620132 JRIJPFROMGRPCH-RBSFLKMASA-N 374.437 2.469 0 40 FEAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)CC(=O)NC1CC1 7926053 LGHKQQYOUOHWDE-UHFFFAOYSA-N 351.450 2.426 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 8174434 GSJWUVGMUUKULI-UHFFFAOYSA-N 357.435 2.260 0 40 FEAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)NCc1ccccc1 8476187 YAHLJNXNCUPTBM-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB Cn1c(CN2CCc3sccc3[C@H]2c2ccccc2)cc(=O)n(C)c1=O 8747811 RXQLDCGIHXJYDR-LJQANCHMSA-N 367.474 2.293 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 8886767 DEJOSFRTOGZBLI-FQEVSTJZSA-N 353.422 2.379 0 40 FEAB COc1cc(/C=C/C(=O)Nc2ccc(-n3cncn3)nc2)cc(OC)c1 12537706 AWADDICNBCPRTP-ZZXKWVIFSA-N 351.366 2.331 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccc(F)cc2)n1 12971325 WSLAXJKCBPRLHO-NSHDSACASA-N 369.356 2.450 0 40 FEAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 13195849 UXYUFMGJYAQTHW-MRXNPFEDSA-N 374.418 2.066 0 40 FEAB CCOc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 13669920 CJRHCLXTORSKGR-CQSZACIVSA-N 354.472 2.110 0 40 FEAB CCCCCCn1c(SCC(=O)CC)nc2c1c(=O)[nH]c(=O)n2C 13739248 JZBRGVPVARISPS-UHFFFAOYSA-N 352.460 2.075 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c(C)c1C(C)=O 14148836 YVJDRTSBIDAWIC-UHFFFAOYSA-N 361.423 2.410 0 40 FEAB Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1-n1cccc1 14267566 VQSUVZGEFFPMDW-UHFFFAOYSA-N 369.446 2.363 0 40 FEAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1 15829142 KKGWAUUKAOZXOB-UHFFFAOYSA-N 365.389 2.009 0 40 FEAB CC(C)NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 16177801 UUWQLIUKZWRANB-UHFFFAOYSA-N 355.423 2.008 0 40 FEAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1cccnc1 16980844 PZWMXYKLANPCIR-UHFFFAOYSA-N 366.425 2.156 0 40 FEAB CN1CCc2nc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncc2C1 19590615 OBQWIPYVJMKTNV-HNNXBMFYSA-N 354.429 2.162 0 40 FEAB CCCN1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762491 NXQNHXMWBBHZIM-HXUWFJFHSA-N 369.465 2.491 0 40 FEAB COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2ccccc2)CC1 19901408 LGTHYUQIIVQGDT-GOSISDBHSA-N 372.465 2.266 0 40 FEAB CC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1 20464323 DOYGFGJSBBXVGJ-GJZGRUSLSA-N 364.471 2.058 0 40 FEAB biogenic,in-vitro CC(C)c1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(F)cc1 24801433 DSHGPXFWMMVHGN-CYBMUJFWSA-N 365.430 2.052 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1F 25126960 IJYOITLFAAEQHI-CRTZJTNUSA-N 350.434 2.461 0 40 FEAB COc1ccc(C)cc1CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 28724258 NWZHYWMPUISYOO-UHFFFAOYSA-N 354.410 2.244 0 40 FEAB NC(=O)c1cc2c(nc1NC[C@H]1CCCN(c3ccccn3)C1)CCC2 32561075 BNULYCFUFCGTDT-CQSZACIVSA-N 351.454 2.393 0 40 FEAB CC(C)NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C 33087484 YUZGCDUIDJRGHS-UHFFFAOYSA-N 362.455 2.260 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 40020152 HTKYJUCANABMFX-UHFFFAOYSA-N 373.409 2.260 0 40 FEAB COc1cc(CN(C)C(=O)c2ccn(C)c(=O)c2)ccc1OC(F)F 40059830 RXJBPSIIWIRKDM-UHFFFAOYSA-N 352.337 2.268 0 40 FEAB CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C1CCCCC1 44846758 VPFXAMVJWJTLRO-UHFFFAOYSA-N 371.478 2.230 0 40 FEAB Cc1cccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44912427 BTMFOPNGIQFFBG-GOSISDBHSA-N 374.462 2.147 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2 46088400 UPRVFPMDKYZDGW-UHFFFAOYSA-N 351.384 2.202 0 40 FEAB C[C@H](C(=O)Nc1cccc(NC(=O)CCCn2cncn2)c1)n1cccn1 47831182 IVUZCKVMTUSQQW-CQSZACIVSA-N 367.413 2.093 0 40 FEAB C[C@@H](NC(=O)c1cnn(C)c1)c1cc2c(cc1Br)OCCO2 54594687 WUUKMMGMFHCKMY-SECBINFHSA-N 366.215 2.445 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57477511 VZGRQAJFBYCNAV-UHFFFAOYSA-N 373.359 2.490 0 40 FEAB O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cnn(-c2ccccc2F)c1 57555651 RPWXHLUMSLPHNI-OAHLLOKOSA-N 373.359 2.320 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)N(C)C 57568176 LIVCKKIFEKQNFL-GOSISDBHSA-N 366.469 2.093 0 40 FEAB CN(C(=O)CNC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 58020262 BFQOFRZXZXTRCW-SFHVURJKSA-N 372.490 2.011 0 40 FEAB C[C@H](NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 58154417 ZXJDOWIJHDDIMT-ZBEGNZNMSA-N 369.439 2.335 0 40 FEAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC(n2cncn2)CC1 58201678 JJAAGXYNCGIRLS-UHFFFAOYSA-N 368.485 2.462 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1CCC[C@@H](C(=O)NCc2ccncc2)C1 58203369 BIIOYBOIESVCLD-QZTJIDSGSA-N 352.438 2.216 0 40 FEAB Cn1ncc2c(NCc3ccccc3S(=O)(=O)NC(C)(C)C)ncnc21 64947843 IAGOKOVDIJAOEU-UHFFFAOYSA-N 374.470 2.052 0 40 FEAB O=C(NCCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(F)cc1F 65592974 ZYPAURNAPVOSEF-OAHLLOKOSA-N 365.424 2.172 0 40 FEAB Cn1cc(CCNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cn1 67063575 XVAJXOWMQNQWTL-INIZCTEOSA-N 350.369 2.024 0 40 FEAB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1 67197513 INHXNIAFXZHASM-LBPRGKRZSA-N 357.362 2.458 0 40 FEAB COc1ccc(CNC(=O)N(CCCO)Cc2ccncc2)cc1OC 72311301 QRJDXFSGFDZGTM-UHFFFAOYSA-N 359.426 2.193 0 40 FEAB O=C(N1CCc2[nH]c3ccccc3c2C1)C1(n2cnnn2)CCCCC1 72401373 ONPSRUHAWPZWQX-UHFFFAOYSA-N 350.426 2.399 0 40 FEAB COc1ccc(NC(=O)c2ccnc(N(C)C)c2)c(C(=O)NC2CC2)c1 78549473 FUMPGLHULNVGID-UHFFFAOYSA-N 354.410 2.301 0 40 FEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 78820730 QSOBLMLOKJQYDS-BONVTDFDSA-N 367.373 2.377 0 40 FEAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 79615507 GGPDXCLZLHFHQI-LJQANCHMSA-N 372.513 2.004 0 40 FEAB O=C(NCCc1cnc(C2CC2)nc1)c1nc(N2CCCC2)ncc1Cl 89764566 CUNROWAOVXZWJL-UHFFFAOYSA-N 372.860 2.370 0 40 FEAB O=C1N(CC2CC2)CCC[C@]12CCN(Cc1nnc(-c3cccnc3)o1)C2 91469053 XKWZYNXRYZYSBH-HXUWFJFHSA-N 367.453 2.356 0 40 FEAB Cn1cc(CN2CCC[C@@H](CN3CCOCC3)C2)c(-c2ccncc2)n1 93018063 UESMOOOMVFUQAZ-KRWDZBQOSA-N 355.486 2.026 0 40 FEAB Cc1ccccc1[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@H](C)CO1 95403611 YHBBSOLSPGMXJP-ZBFHGGJFSA-N 355.442 2.204 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C1 95437101 IRIAYGDFNLRBFO-RDJZCZTQSA-N 360.454 2.446 0 40 FEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1ccncc1 95473797 YCJJWEMVZWAICA-MRXNPFEDSA-N 370.844 2.254 0 40 FEAB O=C(COc1ccccc1)NC[C@H]1COCc2nc3cc(F)ccc3n21 96112499 QMRJLODKPWTITP-AWEZNQCLSA-N 355.369 2.442 0 40 FEAB biogenic,in-vitro COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccccc3)C2=O)cc1 96115816 FFHNAHFFTGOXHM-KRWDZBQOSA-N 367.405 2.187 0 40 FEAB biogenic O=C(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1Cl 96120869 SGUOBPHGOUJSAV-UHFFFAOYSA-N 350.781 2.036 0 40 FEAB C[C@H]1c2ncc(COCC3CCOCC3)n2CCN1Cc1cnn(C)c1 96206023 OOOZFJJDJTZOAL-HNNXBMFYSA-N 359.474 2.137 0 40 FEAB CC(C)CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1ccccc1 96251075 WCBAQFWEFRKYMO-BRWVUGGUSA-N 350.484 2.016 0 40 FEAB Cc1ccc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)cc1C 96259536 JAUNETOOJSGPRB-UHFFFAOYSA-N 350.426 2.186 0 40 FEAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(c1ccncn1)CC2 96260514 UVBMCRNHQKSNTH-UHFFFAOYSA-N 368.485 2.247 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2ccc3nsnc3c2)OCCO)cc1 96337705 ACKNXDCZLOXFSF-KRWDZBQOSA-N 357.435 2.480 0 40 FEAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 97015140 LUIRNYWPAAMNIF-INIZCTEOSA-N 372.450 2.391 0 40 FEAB COCCOc1cc(C(=O)NCc2ccc(N3CCCC3)nc2)ccn1 179822085 YCLQIGPFQFTGBR-UHFFFAOYSA-N 356.426 2.032 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223045673 LXKMTHYIRNHMIZ-FQEVSTJZSA-N 354.450 2.145 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 242701871 WOPXPTNWOGZEJA-VYDXJSESSA-N 365.838 2.370 0 40 FEAB O=C(C[C@@H]1CN(C2CCCC2)Cc2ccnn21)NCCc1ccncc1 247840463 FGMBFDLMUJSXOO-LJQANCHMSA-N 353.470 2.326 0 40 FEAB COCC(=O)NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 247841180 NZALBRJQTBNULU-INIZCTEOSA-N 367.453 2.074 0 40 FEAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)cn1 248069128 FTTZWTIXPVZYQA-QGZVFWFLSA-N 353.422 2.485 0 40 FEAB O=C(OCc1ccccc1)N1CCN2C[C@@H](Cc3cccnc3)OC[C@@H]2C1 257289331 PYEJQMHAFFKPHW-VQTJNVASSA-N 367.449 2.346 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257308318 TWHOKFXVVSNEJH-ZDUSSCGKSA-N 360.435 2.271 0 40 FEAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(O)n3nc(C)cc3n2)c1 257309534 UBHMTSZAEWUNMU-OAHLLOKOSA-N 354.414 2.002 0 40 FEAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)N(Cc1cccnc1)C(=O)c1cccn12 306132573 LMOFMFYBOPHMTK-DLBZAZTESA-N 362.389 2.198 0 40 FEAB Cc1nc(CO[C@H]2CN(c3ncc(F)cn3)Cc3ccnn3C2)cs1 306140181 UMJNJXAHPYQXOD-HNNXBMFYSA-N 360.418 2.183 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCCCC1 408594452 SBTVHKCVCPGFJV-OAHLLOKOSA-N 367.471 2.162 0 40 FEAB CN(Cc1nnc2n1CCCCC2)C(=O)[C@H](c1ccccc1)n1cccn1 522798471 MYOJFPDSJXHECQ-IBGZPJMESA-N 364.453 2.449 0 40 FEAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H]3CCn4ccnc4C3)n2)n1 548310590 CXLNEBKNZYGYLT-ZDUSSCGKSA-N 370.844 2.479 0 40 FEAB CN(C)C[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1ccc(Cl)cc1 555229033 CHAQMEIUXJRDNQ-AWEZNQCLSA-N 359.817 2.121 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3cccs3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585096390 LEPBKVGVOGLVBG-MBNYWOFBSA-N 358.467 2.434 0 40 FEAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1COCCN1C1CCCC1 585139499 FANMQXMEGUXTKQ-ROUUACIJSA-N 360.454 2.270 0 40 FEAB Cn1ncc(NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1C(F)F 677624002 IHLPEDJLHPORCZ-UHFFFAOYSA-N 373.385 2.051 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3OC[C@H]2C)cc1 679915292 STHFGCLMBBTAMM-CQSZACIVSA-N 374.462 2.408 0 40 FEAB COC[C@@H]1CNCCN1S(=O)(=O)c1cc2cc(Cl)ccc2s1 1124056128 FWUMBFJSJPPEQP-LBPRGKRZSA-N 360.888 2.164 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)CC4(O)CCC4)C[C@@H]32)CC1 1565551197 AZTCVXLQJLXAOK-NVXWUHKLSA-N 370.497 2.116 0 40 FEAB CSc1nc(N2CCN(S(=O)(=O)C3CC3)CC2)cc(C(C)(C)C)n1 1888876227 PWFZRZBAXADBNI-UHFFFAOYSA-N 370.544 2.110 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1)C1CC1 1889139415 NTSVBADQIRQLNH-LLVKDONJSA-N 355.460 2.486 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4sccc4F)C[C@@H]32)cs1 2056224836 YJGXENLJRPRXEJ-KBPBESRZSA-N 367.471 2.378 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(OC)c3)no2)C1 1362450 HKSAGEKKOQHWCI-ZDUSSCGKSA-N 351.428 2.274 0 40 FEAB Cc1cc(=O)c(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)n1C 79479138 ZYHAAIUWIBRMPP-RMKNXTFCSA-N 353.466 2.230 0 40 FEAB O=C(NCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 4569293 OUPPRRPUMJASCE-UHFFFAOYSA-N 352.434 2.314 0 40 FEAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccccc1C#N 47468263 CPUKCWQNZHAGBP-NSHDSACASA-N 350.421 2.030 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 4920845 HEHDFLBEZAHIJA-UHFFFAOYSA-N 372.425 2.278 0 40 FEAB COc1ccc(C(C)=O)cc1CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 7349670 KZMXHMCFNKYVDZ-AWEZNQCLSA-N 363.439 2.254 0 40 FEAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810795 VLVHPVYXIBRMJJ-UHFFFAOYSA-N 370.377 2.142 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](c1ccco1)N1CCCC1 47719951 MIPYWWNOBDUJCM-MRXNPFEDSA-N 368.499 2.280 0 40 FEAB COc1cccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 58166968 CRQVTJCVIGFXRH-UHFFFAOYSA-N 369.421 2.185 0 40 FEAB CCC[C@@H](c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1 57670022 NBNKFTXBYRAVDY-KRWDZBQOSA-N 362.453 2.122 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108324950 UZUQNEUUYHKYPF-NBOOPKSLSA-N 372.465 2.209 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCC1(c2ccccc2)CCC1 102839734 MFVDITSBACGYAP-CALCHBBNSA-N 354.450 2.400 0 40 FEAB C[C@H](OC(=O)c1ccc(N(C)C)c(F)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 107346202 YDYPYIMOWSUMNZ-UPJWGTAASA-N 352.406 2.073 0 40 FEAB CCOC(=O)c1c[nH]c2c(-c3ccc(OC)cc3)c(COC)nn2c1=N 102742199 QUJGKKNPIIUXMP-UHFFFAOYSA-N 356.382 2.141 0 40 FEAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)C2)no1 108130893 NGPSEHLIPKBMFC-LUKYLMHMSA-N 374.485 2.408 0 40 FEAB C[C@]1(C(=O)NC(=S)NNc2nc3ccccc3[nH]2)CC1(Cl)Cl 12651244 SAVSAVYDPKRWTP-GFCCVEGCSA-N 358.254 2.464 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)o3)C2=O)cc1 58180636 AOOYJJDEWIFLKZ-SFHVURJKSA-N 357.366 2.002 0 40 FEAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccco1 58180810 RDOONYOUTKUCDA-IAGOWNOFSA-N 371.485 2.485 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)c(OC)c1 10556242 KFHOCVOFFRHUQL-NSHDSACASA-N 361.423 2.460 0 40 FEAB COCCN(Cc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11562296 XUVXLVRNEHYBFC-UHFFFAOYSA-N 369.468 2.076 0 40 FEAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NC1CCCCCCC1 46053227 LJOVJVAJRWVZQS-UHFFFAOYSA-N 365.499 2.464 0 40 FEAB Cc1ccc(-c2n[nH]cc2CNCCNS(=O)(=O)Cc2ccccc2)o1 48314606 DMYAWYCHCDAUFE-UHFFFAOYSA-N 374.466 2.187 0 40 FEAB COc1cccc(CCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 48345471 LUCYACPIMBIOND-MRXNPFEDSA-N 358.413 2.227 0 40 FEAB CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)CCC2 20801773 SLDUOIXAQQLXTR-UHFFFAOYSA-N 352.442 2.149 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1 13326719 CEJUUICJZHTPJV-UHFFFAOYSA-N 368.393 2.249 0 40 FEAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc3cccnc23)n1 8992062 NRECFSGEMTUEBY-UHFFFAOYSA-N 362.798 2.334 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1 13988414 FPZVVNNZSRHIQH-QGZVFWFLSA-N 354.406 2.227 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21 14183746 ATNADCSVEXBXCW-UHFFFAOYSA-N 373.796 2.331 0 40 FEAB CN1CCCN(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71281440 NGSDAXKDGOCOOC-CYBMUJFWSA-N 353.850 2.007 0 40 FEAB Cc1ccn([C@@H](C(=O)c2cccc(Cl)c2)C(=O)N2CCOCC2)c(=O)c1 4682138 HEMOJCZGYRUXNX-KRWDZBQOSA-N 374.824 2.093 0 40 FEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccccc2)CC1 4858892 ZNTVJVWQDDVFME-KRWDZBQOSA-N 351.454 2.042 0 40 FEAB COc1cccc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 6810277 KRTSUZOCGXSVNB-HNNXBMFYSA-N 363.435 2.426 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 15518590 OGJPQWIHHZOEPJ-SFHVURJKSA-N 353.403 2.353 0 40 FEAB COc1ccc(O)c(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 9449621 UHUMTTBBBWCCRX-UHFFFAOYSA-N 354.362 2.194 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 16731663 HQJAJVNSVXSRGA-JTQLQIEISA-N 354.378 2.364 0 40 FEAB COc1cccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1OC 8533850 HYBQDJHLOMITNH-ZDUSSCGKSA-N 363.458 2.293 0 40 FEAB COc1ccc2cc(CNC(=O)CCC(=O)N3CCOCC3)ccc2c1 9878575 LJOXMWLXYHEMHQ-UHFFFAOYSA-N 356.422 2.104 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 408706360 GRGZGCVLNFJVSF-UHFFFAOYSA-N 362.407 2.423 0 40 FEAB O=C(CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 62701845 KCCVRUVJZNVYOT-UHFFFAOYSA-N 370.361 2.196 0 40 FEAB CN1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1ccncn1)C2 306143309 XYIDPQYUWARYQT-KRWDZBQOSA-N 358.486 2.220 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 306124263 BKYRUQMBZKQUDK-CGTJXYLNSA-N 357.479 2.328 0 40 FEAB COc1cccc(Oc2ccc(C(=O)N[C@H]3CCC(=O)N[C@H]3C)nc2)c1 517858073 CRMFZQUREKXWMK-LRDDRELGSA-N 355.394 2.279 0 40 FEAB COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 55065515 GKARZXJQIAYBQK-GOSISDBHSA-N 373.453 2.399 0 40 FEAB CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)N(C)C1=S 39556806 SFKWPLCRUPXQHB-DHDCSXOGSA-N 357.435 2.234 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 33713925 QVQKRRUSMAMTTE-UHFFFAOYSA-N 374.890 2.420 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccccc1)O2 38832881 KUVLXWYJDCNTKK-KBXCAEBGSA-N 374.462 2.399 0 40 FEAB O=C(Nc1nnc(-c2cccnc2)s1)C1CCN(c2ncccn2)CC1 35291201 HLJKNOLXYXINJK-UHFFFAOYSA-N 367.438 2.245 0 40 FEAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCCN(c3ncccn3)C2)n1 79936737 WUKGIBSJHVRZES-LLVKDONJSA-N 367.379 2.432 0 40 FEAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218574187 JMOSYQVSXYVIJF-ZOBUZTSGSA-N 365.838 2.309 0 40 FEAB O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)NCC(F)(F)F 77118766 CMWQYJLSUKUUCL-CQSZACIVSA-N 354.328 2.058 0 40 FEAB O=c1n(-c2ccccc2)c(=O)n2n1C1[C@]34CCC[C@@]35C3C4[C@@]14CCC[C@]34C25 45071060 GPXAUEMRXXBCJL-OLJPZNQNSA-N 359.429 2.497 0 40 FEAB Cc1nc(CO[C@H]2CO[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cs1 96206851 GBDUVFNAUKSFKM-ZBFHGGJFSA-N 350.419 2.335 0 40 FEAB CCOC(=O)c1nn(Cc2ccccc2)c(N)c1I 95094711 QLQSUMRJCOZXDO-UHFFFAOYSA-N 371.178 2.295 0 40 FEAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2ccc4c(c2)OCO4)C3)cn1 248339302 SRMYCGZRGALABZ-OAHLLOKOSA-N 355.394 2.018 0 40 FEAB Cc1nc(CO[C@H]2CN(C(=O)c3ocnc3C)Cc3ccnn3C2)cs1 248026675 KKLLXBJAABIIEZ-HNNXBMFYSA-N 373.438 2.186 0 40 FEAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@]1(COC(=O)C1)O2 524730777 XCEIXRWKIFQZDC-ZAXZDERASA-N 352.471 2.427 0 40 FEAB biogenic Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1F 257250066 JKVVKGPMQXLOSQ-IBGZPJMESA-N 358.417 2.028 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 253617454 NTTRGAIOMZIGLW-CZKDGEGMSA-N 364.482 2.006 0 40 FEAB COc1ccccc1C(=O)NCc1cncc([C@H]2CCCN2C(C)=O)n1 257264892 LWKKFQTZMSBRHZ-QGZVFWFLSA-N 354.410 2.099 0 40 FEAB CN(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)n[nH]2)nn1 643906932 MLVCEXCRTDIHKG-NSHDSACASA-N 354.336 2.262 0 40 FEAB CN1CCC[C@]2(C(=O)O)CCN(C(=O)Cc3ccccc3Cl)C[C@@H]12 1704327931 JSPKJDFNZQQULW-QAPCUYQASA-N 350.846 2.280 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)n[nH]1 683510513 CTWLRGSTLLYKSJ-HNNXBMFYSA-N 365.437 2.420 0 40 FEAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)c3cc4c(s3)CCC4)C2)OC1 575403369 IPXIXAOFDYYUPO-AWEZNQCLSA-N 374.506 2.480 0 40 FEAB CC(=O)c1cccc(N(Cc2nnc3n2CCCCC3)S(C)(=O)=O)c1 576093582 YCFPDGSLSDLTOL-UHFFFAOYSA-N 362.455 2.173 0 40 FEAB Cc1ccccc1[C@@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 55781123 DQWQWLVNMFOAOI-SFHVURJKSA-N 363.417 2.362 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)c1nc(C3CCCCC3)no1)CC2 89740861 MZYHQAOOABZPLN-RISCZKNCSA-N 358.446 2.457 0 40 FEAB O=C1[C@@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C(=O)N1Cc1ccccc1 664185078 RSLHEPOJWPVBNT-OKILXGFUSA-N 354.435 2.037 0 40 FEAB CC[C@H](C)[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240297 IOTFSDWKSLUDSZ-HZMBPMFUSA-N 353.396 2.040 0 40 FEAB COc1cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)nc(OC)n1 11765332 QRSSPPHJJLXYTA-UHFFFAOYSA-N 371.441 2.465 0 40 FEAB CCCCN(C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720628 XRBJXDIFVXOPFF-UHFFFAOYSA-N 364.490 2.488 0 40 FEAB CO[C@@H]1Oc2ccccc2N([C@@H](NC(C)=O)C(Cl)(Cl)Cl)C1=O 16320928 BAKMDWRJVROGQY-VXGBXAGGSA-N 367.616 2.217 0 40 FEAB COc1cc([C@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O 19168577 SWKDOMTZLKUFNX-OJNOEAMPSA-N 374.393 2.088 0 40 FEAB Cc1cccc2c(C[C@H](C)NC(=O)C[C@H]3C(=O)NCCN3C(C)C)c[nH]c12 19236599 LXIAALIOWPPTQQ-YJBOKZPZSA-N 370.497 2.122 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1N1CCCC1 19717756 DQFLUOFCFKAVBY-UHFFFAOYSA-N 362.437 2.257 0 40 FEAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCCC(C)(C)C3)ccc2=O)no1 19749207 ZRNTYCRSDOIQFD-UHFFFAOYSA-N 372.425 2.046 0 40 FEAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929875 KURGPJVFPGXOGP-AWEZNQCLSA-N 356.488 2.319 0 40 FEAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 390830141 JAZRSCFVKMQXJV-UHFFFAOYSA-N 365.908 2.073 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4nccn5nccc45)C[C@H]3C2)nn1 1888897372 TXNDOEXVKFVTJZ-HUUCEWRRSA-N 363.469 2.389 0 40 FEAB COc1ccc2sc(N3CCN([C@@H](C)C(=O)NC(C)C)CC3)nc2c1 1888914332 GGLACYVEPBCPSV-ZDUSSCGKSA-N 362.499 2.340 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1C 14847446 DVGUWLSWHRUFFH-UHFFFAOYSA-N 357.410 2.462 0 40 FEAB Cc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1I 262834414 BWRXZCKCXIDBMF-DTORHVGOSA-N 359.163 2.193 0 40 FEAB O=C1CC(C(=O)N2CCC[C@]3(CCCN(Cc4cccnc4)C3)C2)=CC=N1 2056223336 GOICVHCHFLFGGC-NRFANRHFSA-N 366.465 2.214 0 40 FEAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1 2952004 AGBBITNUWPWZMJ-UHFFFAOYSA-N 355.394 2.160 0 40 FEAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncncc3F)CC2)cn1 2298045511 AGLIXFJJIIRTKS-UHFFFAOYSA-N 358.421 2.322 0 40 FEAB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)c1 249059649 GGIMMAYCCRJNFP-MLCYQJTMSA-N 368.318 2.145 0 40 FEAB Cc1ccn2c(=O)c(C(=O)NCCOc3cccc(Cl)c3)cnc2c1 40113674 GGSQPTOGNYEMJQ-UHFFFAOYSA-N 357.797 2.465 0 40 FEAB CC(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 51152619 MIEBAWUIBCANAV-UHFFFAOYSA-N 357.498 2.169 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cn[nH]c1 102331197 VAJGMWABEHHBTG-UHFFFAOYSA-N 356.407 2.487 0 40 FEAB COc1ccc(C)cc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 21916403 KTQNNLBQVNLZEB-UHFFFAOYSA-N 366.421 2.311 0 40 FEAB COC(=O)c1c(NC(=O)COC(=O)C[C@H]2CCCO2)sc2c1CCC2 46542563 MEPXXLFUOZGOOC-SNVBAGLBSA-N 367.423 2.074 0 40 FEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C 78479734 ZNAXYWSLTDFPIN-INIZCTEOSA-N 351.362 2.048 0 40 FEAB COc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)c(OC)c1 4518400 HLIALLHHIPMUNB-UHFFFAOYSA-N 373.438 2.447 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4975388 UGMVWRUROSQBMX-WJNMYVKJSA-N 368.433 2.449 0 40 FEAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)NC2CCCC2)cc1C 6587614 KAKHHQKUDJRDRH-UHFFFAOYSA-N 374.470 2.140 0 40 FEAB CCCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(C)cc2)s1 6818374 MPUFJHPAMIUTKW-UHFFFAOYSA-N 354.457 2.410 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(F)cc1 61718812 XZPMRMGRQQLJNB-AWEZNQCLSA-N 371.416 2.080 0 40 FEAB Cn1c(=O)n(CN2CCN(CCc3ccccc3)CC2)c2ccccc21 23249042 FEICUGPKJYLPFL-UHFFFAOYSA-N 350.466 2.158 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 8285468 WZYXKQZZPLRZJV-GFCCVEGCSA-N 368.405 2.463 0 40 FEAB CCCc1nnc(NC(=O)c2cnn(-c3ccc(OC)nn3)c2CC)s1 24769531 OBBNDZYWUCWARN-UHFFFAOYSA-N 373.442 2.290 0 40 FEAB Cc1ccc(C(=O)Nc2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1 25311352 SUGAPAFPLNWLQM-UHFFFAOYSA-N 362.455 2.155 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)NCCc1cn2ccccc2n1 25528368 VKLAUQPNPGDXSN-UHFFFAOYSA-N 350.422 2.122 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@H](c2cccs2)C(C)C)n(C)c1 25876987 RTLYHCDMEDQLIH-AWEZNQCLSA-N 355.485 2.122 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 35286802 SJUYGXAKEWNJHT-UHFFFAOYSA-N 361.776 2.044 0 40 FEAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCC[C@@H]1CCc1ccccc1 57324049 QSFGFCTXOGSCIR-OAHLLOKOSA-N 364.405 2.261 0 40 FEAB CCOc1ccccc1-n1nnc(C(=O)NCCc2ccccc2)c1N 8991395 XJPWOIVQDLQENB-UHFFFAOYSA-N 351.410 2.221 0 40 FEAB CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCOCC1 101736254 IAJHVUVCLOSAFX-UHFFFAOYSA-N 350.463 2.293 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 21559259 SSZPQJDQKYQRCI-INIZCTEOSA-N 374.437 2.274 0 40 FEAB COCCNC(=O)CCNC(=O)NCC(C)(C)c1cccc(Cl)c1 58237471 REMYMASZWXKMLS-UHFFFAOYSA-N 355.866 2.070 0 40 FEAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2137053 JSLHNEPCBNTHIN-UHFFFAOYSA-N 369.512 2.330 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 58343912 SGINMHWMCQHBPK-GJZGRUSLSA-N 374.485 2.306 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102082104 JOQQJANBTSRGTP-BQWDKAHXSA-N 366.417 2.075 0 40 FEAB COc1cc(C(=O)OCC(=O)NCC(F)(F)F)ccc1OC(F)F 3331719 DIOUUWGZKLKPBZ-UHFFFAOYSA-N 357.231 2.132 0 40 FEAB CCN1C[C@@H](CN(C)c2cc(=O)n3ccccc3n2)Oc2ccccc21 10810083 KKXGCFOBDKXGRX-OAHLLOKOSA-N 350.422 2.418 0 40 FEAB CCCCNC(=O)CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 36686381 SSTPVYQNEUOWHD-UHFFFAOYSA-N 370.497 2.161 0 40 FEAB Cc1sc2ncnc(SCC(=O)N3CCC(C(N)=O)CC3)c2c1C 36734374 PSQGIDDGAZJWCC-UHFFFAOYSA-N 364.496 2.124 0 40 FEAB COC(=O)c1cccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 29344676 XATHTEUGTWNWRK-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCn1c(=O)oc2ccccc21 12904527 MATJYLHYKKVPAB-UHFFFAOYSA-N 371.368 2.221 0 40 FEAB O=C1C[C@H](C(=O)NC[C@H]2COc3ccccc3O2)c2ccc(F)cc2N1 12920655 MZXDEOYTUYXHIA-JSGCOSHPSA-N 356.353 2.208 0 40 FEAB Cc1nn2cnnc2c(C)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1 71284115 VOLSUYPPQBPXOW-GOSISDBHSA-N 365.437 2.274 0 40 FEAB Cc1cc(C)c(CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c(=O)[nH]1 9154536 JYWLCAYWGNPADF-UHFFFAOYSA-N 359.426 2.432 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 5326931 ZFAPLALLKPBULS-UHFFFAOYSA-N 351.366 2.074 0 40 FEAB COc1cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc(OC)c1 6506195 TVJJCNXNLWRXEM-UHFFFAOYSA-N 355.350 2.376 0 40 FEAB CCOc1cc(C=O)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 6606185 HWIMGTXSMYNJNR-UHFFFAOYSA-N 357.362 2.322 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2ccc(F)cc2)NC(=O)N3)cc1 7736446 POPYRXLILCJREG-SFHVURJKSA-N 367.380 2.485 0 40 FEAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1cc(-c2ccco2)on1 9548590 ZELBVTYCWPWFLX-UHFFFAOYSA-N 357.347 2.487 0 40 FEAB O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1 28284048 BUYPLFRPFOWGBK-CHWSQXEVSA-N 372.443 2.111 0 40 FEAB CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)[C@H](CN)C1 97019725 TUHZINBHCMVALX-GFCCVEGCSA-N 356.451 2.271 0 40 FEAB Cc1cccc(OCCN(C)CCC(=O)Nc2sccc2C(N)=O)c1 8753180 QBSPSULOXXPSQD-UHFFFAOYSA-N 361.467 2.495 0 40 FEAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 9949539 IKSXPYPJWHTTQA-MRVPVSSYSA-N 355.297 2.351 0 40 FEAB COc1ccc(-c2cc(CC3(NC4CCN(C)CC4)COC3)no2)cc1 67898356 HFQGPJSTQUKEBT-UHFFFAOYSA-N 357.454 2.346 0 40 FEAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1C 408560355 OSFCNVGNKSKDIM-AWEZNQCLSA-N 366.483 2.073 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@H]2CCCc3c2cnn3C)c1 1519825545 MJCBWEAWUNQRDR-HNNXBMFYSA-N 354.410 2.400 0 40 FEAB Cc1ccc(CN2CC[C@]3(C2)CN(S(C)(=O)=O)c2cccnc23)s1 306141306 VREJLQUQXXZLPS-KRWDZBQOSA-N 363.508 2.375 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N1CCCCC[C@H]1c1cccn1C)n1cccn1 120250031 XPKVGWNVQNYKOS-AEFFLSMTSA-N 371.485 2.385 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCNC(=O)c1ccco1 32976364 MWZNFQCJZXXLBG-UHFFFAOYSA-N 370.453 2.098 0 40 FEAB Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cs2)nn1CC(F)(F)F 416964490 XCMQEDLWWYTSJM-UHFFFAOYSA-N 369.346 2.314 0 40 FEAB O=C(Nc1ccc(-c2ccc(O)nn2)cc1)c1ccc(-n2cccn2)nn1 70641278 JXTOBCBETBYAGH-UHFFFAOYSA-N 359.349 2.077 0 40 FEAB O=S(=O)(Nc1nncn1-c1cccnc1)c1ccc2ncsc2c1 565561593 OQLDTHIICHTDJA-UHFFFAOYSA-N 358.408 2.073 0 40 FEAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc2nc[nH]c2c1F 1567422552 GTFCDRBTJRSORM-QGZVFWFLSA-N 352.369 2.324 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3ccc(F)cc3)nc2s1 41077272 NTYLZBWONCOBHU-UHFFFAOYSA-N 363.370 2.184 0 40 FEAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 224191412 LXEXAGMKTIHWIR-UHFFFAOYSA-N 374.388 2.348 0 40 FEAB CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cn1 225927172 BBLOMOLVCLCVHD-UHFFFAOYSA-N 373.453 2.227 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223539147 JAAXXNCDNZFALY-UHFFFAOYSA-N 368.484 2.310 0 40 FEAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCCN2CCOCC2)cn1 223893346 ZUCNXVZVMKJPFU-OAHLLOKOSA-N 363.531 2.079 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC1=CCCCC1)O2 224483490 VIIKZNOXKASTQM-KRWDZBQOSA-N 364.467 2.139 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)o1 96237896 YXYFOPAWYDKSOL-HXUWFJFHSA-N 371.412 2.290 0 40 FEAB Cc1occc1C(=O)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061755 ACUPXSDRLKDDLV-LDBYXDLTSA-N 363.417 2.385 0 40 FEAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCOC1)c1ccc(Br)cc1 585138414 OFDUJXVBVCSETE-GXTWGEPZSA-N 364.243 2.425 0 40 FEAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccsc1)CC2 96059477 KEKGGTJFJDNRGN-UHFFFAOYSA-N 355.467 2.229 0 40 FEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96253303 HPQGHCAISJOVNV-HSALFYBXSA-N 351.450 2.296 0 40 FEAB Cc1cccc(CO[C@H]2CN(C(=O)c3cocn3)Cc3cccn3C2)n1 247858603 FFTBOQIHSIGCGW-QGZVFWFLSA-N 352.394 2.421 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@H]2COc1cccnc1 247866691 OUFUSPAUJOWGFS-AWEZNQCLSA-N 355.394 2.257 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C1CCCC1 253590951 HVOGJUQMSHOJPW-HNNXBMFYSA-N 353.470 2.456 0 40 FEAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2S(C)(=O)=O)c1 257219868 DIOCCISSZQBRPF-BQFCYCMXSA-N 366.483 2.219 0 40 FEAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)CCn3ccnc3)CC2)cn1 257343826 ZUPBGZSSZUKCME-INIZCTEOSA-N 356.474 2.001 0 40 FEAB CN(C(=O)c1cncc(Cc2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 257228928 FVXJAGASDOGFSC-INIZCTEOSA-N 362.426 2.071 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514320 CGAXNVHIDJRLBD-NUJGCVRESA-N 363.410 2.026 0 40 FEAB Cc1ccc(C[C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 257220045 DJHCQEKPPJACTC-KRWDZBQOSA-N 351.516 2.069 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 263976830 DHRHNTKZPAJSRX-AWEZNQCLSA-N 373.438 2.386 0 40 FEAB C[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](c2ccco2)C1 608486862 WDUPDPMCFCWJDS-CZUORRHYSA-N 352.394 2.384 0 40 FEAB Cn1nc(C(=O)NCc2cnc(O)c3ccccc23)c2ccccc2c1=O 1178115152 OGVRAQMFDOXQGR-UHFFFAOYSA-N 360.373 2.117 0 40 FEAB CC(C)C[C@@H](O)C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111413 SUMHRPVOOVDJFM-QZTJIDSGSA-N 357.454 2.068 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1 57021544 RQJAKSPFAJOLCA-OAHLLOKOSA-N 350.827 2.405 0 40 FEAB Cc1noc(C)c1CN1CCN(c2ccc(-c3cccnc3)nn2)CC1 1776009390 YMDPRPCNMPINLL-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB COc1ccc(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 38615542 WOELDVNCUXBXCG-OAHLLOKOSA-N 363.435 2.047 0 40 FEAB Cc1nccn1CC1(O)CCN(C(=O)c2cc3cc(F)ccc3n2C)CC1 12143495 WWUDXVCMDITGFC-UHFFFAOYSA-N 370.428 2.490 0 40 FEAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)N(C)C)nc3c12 12182081 UUOUWHZAGZGHJE-UHFFFAOYSA-N 361.471 2.188 0 40 FEAB CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 12222334 IPHLLASTZSLNOC-UHFFFAOYSA-N 374.510 2.280 0 40 FEAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCS(=O)(=O)C2)n1 12227722 VQZWBOFXDLAWII-OLZOCXBDSA-N 370.521 2.348 0 40 FEAB COc1ccccc1CN1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 19570055 MRUAQGRRJRBSFD-OAHLLOKOSA-N 354.454 2.368 0 40 FEAB CC(C)N1CCO[C@@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19705474 WLFNNKGNNVWDCR-CQSZACIVSA-N 363.483 2.142 0 40 FEAB Cn1cc(CNC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 156534155 YGNYZLPSUJVXSZ-LSDHHAIUSA-N 368.359 2.456 0 40 FEAB O=C(c1ccno1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984313 XIACVHVCEVFWLO-LJQANCHMSA-N 355.394 2.103 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)c1cccn(OCc2ccccc2)c1=O 5054815 VUDWUPXIIXGCDS-UHFFFAOYSA-N 364.357 2.458 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 9828241 PKOXQIBZWCCDJZ-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB O=c1ccn(CCc2nnc(SCc3ccc(Cl)cc3)o2)c(=O)[nH]1 12444051 RDCVPLDMCRGUTJ-UHFFFAOYSA-N 364.814 2.108 0 40 FEAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967151 HGOHMTMUKJXWRX-INIZCTEOSA-N 355.438 2.094 0 40 FEAB O=C([C@@H]1CN(c2nc3ccccc3o2)CCO1)N1CCC(F)(F)CC1 2086889239 UZTKVAAXUDVJAG-AWEZNQCLSA-N 351.353 2.291 0 40 FEAB O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccs1 2968789 OKOQMTCJRSXFNG-CYBMUJFWSA-N 370.459 2.122 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnnn2-c2ccc(O)cc2)[C@@H]1C 7682443 WDANTCDLUUAIHW-LALPHHSUSA-N 361.471 2.401 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)ccc21 40087267 ZHMKNBFQCHDNKP-NSHDSACASA-N 353.426 2.258 0 40 FEAB NC(=O)c1cccc(OCC(=O)Nc2cccc(Cn3cccn3)c2)c1 40157209 RVBOXNRBYFLCKB-UHFFFAOYSA-N 350.378 2.048 0 40 FEAB O=C(Cn1c(CCNC(=O)C2CC2)nc2ccccc21)NCc1ccco1 40299282 AKIOJGHSKXFTLY-UHFFFAOYSA-N 366.421 2.014 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)cc1 21476608 ZEZPKQVASVOOIE-UHFFFAOYSA-N 370.497 2.323 0 40 FEAB Cc1cc(CS(=O)(=O)CC(=O)N(C)[C@H]2CCCc3ccccc32)no1 52435625 SZUFBJVDCVWVPI-KRWDZBQOSA-N 362.451 2.434 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)C2(NC(N)=O)CCCCC2)cc1F 76017757 PGBFPJPGNOYSRJ-UHFFFAOYSA-N 373.432 2.307 0 40 FEAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2CCc2ccccc2)CC1 79615512 GGPDXCLZLHFHQI-IBGZPJMESA-N 372.513 2.004 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1 3410015 LCXVICDHOHGDSL-UHFFFAOYSA-N 367.467 2.476 0 40 FEAB Cc1cc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)ccc1Br 7278186 XDBWSPUYZIZFSP-MNOVXSKESA-N 361.286 2.411 0 40 FEAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 42332304 ZOSAZSUSTICMQE-CQSZACIVSA-N 361.398 2.058 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccnn2CC)ccc1C 8484674 JPOZLZFOXGAZPE-UHFFFAOYSA-N 364.471 2.494 0 40 FEAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 8559322 PZOUBFHUQIOAEX-SECBINFHSA-N 369.303 2.218 0 40 FEAB CCS(=O)(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 23627119 FAXHRCVJBVFKSG-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB Cc1ccc([C@](O)(CCNC(=O)NC2CCC(O)CC2)C(F)(F)F)o1 42961153 KUTXXBPSGMNBSN-KOHJWAIASA-N 364.364 2.331 0 40 FEAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 12630508 NTZMZVCTVDNZTP-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC 109049875 AEKZBCWOHWSMAP-BFYDXBDKSA-N 362.470 2.418 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1cccn1C 12747118 WTLLVCBATLBDNB-GFCCVEGCSA-N 354.453 2.399 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)c2ccco2)n1Cc1ccccc1 12724602 LACKBHAYPAIHLL-UHFFFAOYSA-N 356.407 2.277 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)CCc1nc(-c2cccs2)no1 58114986 XNOCUDPTDHOUFI-UHFFFAOYSA-N 350.444 2.104 0 40 FEAB O=C1CCc2cc(OC[C@@H](O)CNc3cnc4ccccc4n3)ccc2N1 58190907 CJXVGQRLAHDTOR-AWEZNQCLSA-N 364.405 2.366 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)c1 58453225 QIKZQXQVRNEHNM-HNNXBMFYSA-N 356.353 2.178 0 40 FEAB COc1ccccc1-c1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)[nH]n1 58218216 HXYFXKVSGAICTF-NSHDSACASA-N 354.366 2.435 0 40 FEAB COc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)NC2CC2)cc1Cl 45096559 UKRWEGMNFWLRIX-CQSZACIVSA-N 351.834 2.030 0 40 FEAB NC(=O)c1cccc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1 36395211 UZVQUTYYIZTAJV-UHFFFAOYSA-N 366.343 2.431 0 40 FEAB CN(Cn1nc(-c2ccccc2F)oc1=S)[C@H]1CCS(=O)(=O)C1 12813300 XZLUUVAHBMQNSU-JTQLQIEISA-N 357.432 2.088 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccccc2C)CC1 13022394 ZUFTXHNHMJZLLO-UHFFFAOYSA-N 368.499 2.084 0 40 FEAB CCCCNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4082276 YPRQYKUDCMLBLU-APPDUMDISA-N 350.440 2.190 0 40 FEAB biogenic C[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1nc2ccccc2c(=O)[nH]1 13598374 ABZVXIYXBDSHBP-SNVBAGLBSA-N 366.406 2.458 0 40 FEAB COc1c(Cl)cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1Cl 39984288 JOZXQDHEZMKRGH-CYBMUJFWSA-N 352.239 2.309 0 40 FEAB CCCCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)n[nH]c1=O 26263521 UNLYGFJRZYPFOF-LLVKDONJSA-N 352.435 2.480 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 14139951 BOIGQBXYAOZVPU-UHFFFAOYSA-N 361.419 2.433 0 40 FEAB Cc1cc(N2C(=O)c3ccc(C(=O)Nc4nnc(C)s4)cc3C2=O)no1 9225158 YSVMWWBEHVTTJF-UHFFFAOYSA-N 369.362 2.196 0 40 FEAB O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 66812592 PLNLCQKAYGZRSF-NSHDSACASA-N 371.821 2.097 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 7361028 ZNNNHTLRXAOGMX-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cn1ccnc1[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1cccc(F)c1 9313979 VVMVHCXYRFETFL-INIZCTEOSA-N 370.409 2.387 0 40 FEAB COc1ccc(CC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1F 7568584 IOEJPQFBXNHOHU-UHFFFAOYSA-N 357.337 2.216 0 40 FEAB CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 7640507 YEIBYQRQUXKVCV-CYBMUJFWSA-N 370.471 2.091 0 40 FEAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(C(=O)O)c(O)c1 20153618 JPXMIESKBXWTPP-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CSCC(=O)N2CCCCC2)c1 7801214 GKRNQEOJPNIXME-UHFFFAOYSA-N 364.467 2.466 0 40 FEAB CN(C)c1ccnc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1 1143602759 MPRONDFSEDYKHD-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB O=C([C@@H]1CCCN1c1ncnc2sccc12)N1CCc2cncnc2C1 95396061 WPRHZECJUNOTET-HNNXBMFYSA-N 366.450 2.035 0 40 FEAB COc1cccc([C@H](CO)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 95457328 XJCONUWKAVGFET-INIZCTEOSA-N 364.442 2.102 0 40 FEAB CC1(C)C(NC(=O)c2ccccn2)C(C)(C)C1NC(=O)c1ccccn1 75094505 SWFOBIZYDAQXAL-UHFFFAOYSA-N 352.438 2.440 0 40 FEAB CCN1CCN(c2ccc(C(=O)O)cc2I)CC1 39951853 LXNSCAPSLWHBFZ-UHFFFAOYSA-N 360.195 2.131 0 40 FEAB COCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409145832 RBXXCMPIWCWKBP-UKTHLTGXSA-N 353.396 2.395 0 40 FEAB COc1ccc(CCNC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 1322793 PXNGTRUOJCGKIJ-UHFFFAOYSA-N 364.401 2.244 0 40 FEAB biogenic Cc1ncc(NC(=O)NC(c2nccn2C)c2nccn2C)c(C2CC2)n1 529097677 UWESTDMCZPNJHO-UHFFFAOYSA-N 366.429 2.041 0 40 FEAB Cc1csc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)n1 71334851 UEMDYYUPCUQVKQ-CQSZACIVSA-N 373.482 2.310 0 40 FEAB COC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1C(=O)OC(C)(C)C 77302408 YIPPZGKXRWERCV-HOCLYGCPSA-N 364.442 2.336 0 40 FEAB in-vitro Cc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1F 238813748 AYEXQSWPLDAEPU-CALCHBBNSA-N 370.424 2.229 0 40 FEAB CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 329456620 QIKSEKVTHOVQDR-KRWDZBQOSA-N 352.500 2.343 0 40 FEAB Cc1cccc(CCN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1 572637026 LPTLNTQCHVJFSC-ROUUACIJSA-N 358.530 2.055 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2c3c(ncn3C)CCN2Cc2cccnc2)o1 96264951 PJPDDNDGLBXFSH-IBGZPJMESA-N 365.437 2.132 0 40 FEAB CCc1nn(C)cc1CNC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 583616601 QFLZONXONXBXCR-MGPUTAFESA-N 356.518 2.421 0 40 FEAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3cccs3)CC[C@@H]21)c1cccnc1 96056214 DSKJRQKIODWEDY-RYQLBKOJSA-N 357.479 2.410 0 40 FEAB Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@]3(CC(=O)N(C)C3)C2)s1 97952747 JRBSVKQHWIUGTM-IBGZPJMESA-N 363.527 2.205 0 40 FEAB COCCN1C[C@@H](COCC2CC2)C2(CCN(C3CCOCC3)CC2)C1 247818507 CGXPMETVSNJXOI-IBGZPJMESA-N 366.546 2.252 0 40 FEAB COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(Nc3nncs3)n2)C1 257327656 XCFGREBTPOXCMP-GFCCVEGCSA-N 363.443 2.002 0 40 FEAB COc1cccc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c1F 257221084 DNKICKSEGZBTRW-TXPKVOOTSA-N 350.434 2.028 0 40 FEAB COCC(=O)N1CCC[C@@H](Cc2cnc(-c3cccc(C(=O)O)c3)cn2)C1 257304627 SMKGESHYJRDUKO-AWEZNQCLSA-N 369.421 2.269 0 40 FEAB O=C(O)c1nscc1S(=O)(=O)NCC1CCc2ccccc2CC1 530149683 GXNYBNYUMHTOGC-UHFFFAOYSA-N 366.464 2.315 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2)nc1 24901183 YZTZDLMRHZLRSR-INIZCTEOSA-N 353.382 2.253 0 40 FEAB COc1cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)sn1 621851771 BLKDJQRMGKFRGS-UHFFFAOYSA-N 367.377 2.028 0 40 FEAB C[C@H](Oc1ccc(NC(=O)Cc2cn3c(n2)CCCC3)cc1F)C(=O)O 630259851 CYFLTUNMYLTLMS-NSHDSACASA-N 361.373 2.392 0 40 FEAB COc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1615546746 DFYKPNMDKPFWRY-LSDHHAIUSA-N 350.415 2.059 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390827441 XVQZMABUSKGTAC-FQEVSTJZSA-N 372.421 2.231 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](CCO)C3CCCCC3)CC2=O)cc1 95426652 AIOSSEUGALSUAZ-LPHOPBHVSA-N 374.481 2.496 0 40 FEAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)N3CCOCC3)C2)n1 12088584 USPRWGYLAHPEAU-QGZVFWFLSA-N 367.453 2.479 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(Cn2cccn2)cc1 12991606 NQWAIYGCZDJIIM-UHFFFAOYSA-N 360.377 2.264 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19078828 LCSSFCCCGUEILS-ACJLOTCBSA-N 370.428 2.392 0 40 FEAB COc1cccc(-c2nccc3ccn(CC(=O)N4CCN(C)CC4)c23)c1 19589767 WIKQOJVIYXZPJR-UHFFFAOYSA-N 364.449 2.486 0 40 FEAB COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 6314070 JPOIXFZLRYNMLD-UHFFFAOYSA-N 363.391 2.128 0 40 FEAB COc1ccnc(N2CCN(c3nc(C(C)(C)C)nc4c3CCC4)CC2)n1 1888869492 GLPRGYZCDPRPNA-UHFFFAOYSA-N 368.485 2.388 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839973 HDQWMKWACSTEPB-HXUWFJFHSA-N 354.454 2.208 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(Cc4ncoc4C(C)C)CC3)nn2)n1 2087143999 AYQUIFVEPNTIQN-UHFFFAOYSA-N 367.457 2.404 0 40 FEAB COc1ncc(CN2CC[C@H]3[C@H](CC(=O)NC(C)C)OC[C@H]3C2)cc1C 1565553254 QOYKBWSWYLJVRW-KURKYZTESA-N 361.486 2.150 0 40 FEAB CCCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 4586276 KJDYWKLQFYYNMZ-UHFFFAOYSA-N 366.483 2.135 0 40 FEAB COc1ccc(-c2nn(CC(=O)NC(C)C)c(=O)c3nc(C)sc23)cc1 8955429 JMVYMFVPJRTBTC-UHFFFAOYSA-N 372.450 2.362 0 40 FEAB COC(=O)c1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 15081915 HUIPUNHBVCHHBA-UHFFFAOYSA-N 352.350 2.490 0 40 FEAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(=O)n(C)c1 16849475 MIYSYKRZDPDABV-UHFFFAOYSA-N 373.413 2.051 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)n1 40121562 PVGPGLIKYPVPPY-RHSMWYFYSA-N 372.469 2.398 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1cccnc1OC1CCCC1 30433608 VHEABIBFACLGEY-UHFFFAOYSA-N 351.428 2.486 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40153929 ICGSJXGDDHUZRM-WBMJQRKESA-N 371.393 2.154 0 40 FEAB CN(Cc1cccc(NC(=O)c2ccc[nH]c2=O)c1)C(=O)C(F)(F)F 31372597 WIKONNGSNGKIQH-UHFFFAOYSA-N 353.300 2.148 0 40 FEAB CCCCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773818 JGDPPVYJAKMFLL-ZWKOTPCHSA-N 364.511 2.424 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2O)cc1 32752687 SFBDHQHJOUKOJQ-UHFFFAOYSA-N 368.842 2.062 0 40 FEAB COc1cccc(CNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c1 102171017 WNCNHUCVTZCPSA-UHFFFAOYSA-N 355.419 2.161 0 40 FEAB O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1 21833576 DVPOWIPQBAXUOI-UHFFFAOYSA-N 373.843 2.088 0 40 FEAB CC1(C)NC(=O)N(CCCN(Cc2cccs2)C[C@H]2CCCO2)C1=O 41626460 ODSMLIMVXVQUER-CQSZACIVSA-N 365.499 2.450 0 40 FEAB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1 1563709 NNXLIBQGVVEZHL-QGZVFWFLSA-N 363.435 2.153 0 40 FEAB O=C(CNC(=O)c1ccc(COCC(F)(F)F)cc1)NCc1ccco1 22467185 MOKWUDDHIOSSBL-UHFFFAOYSA-N 370.327 2.405 0 40 FEAB O=C(O)COc1ccccc1/C=C1\NC(=S)N(c2ccccc2)C1=O 728299 LNFDJGSLDDVAGU-UVTDQMKNSA-N 354.387 2.412 0 40 FEAB O=C(NCc1nnc2n1CCC2)c1cnn(Cc2ccccc2Cl)c1 54454606 AXWUECDPRBTXCW-UHFFFAOYSA-N 356.817 2.053 0 40 FEAB COc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1 1275989 KZRUEWQPSFDTAX-SJORKVTESA-N 361.419 2.130 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(c2ccccn2)CC1 24763810 NWRZQEQWKXBYGD-JKSUJKDBSA-N 354.454 2.284 0 40 FEAB Cn1c(NC(=O)c2cccnc2-n2cncn2)nc2cc(Cl)ccc21 58244689 XKCAIWKEUNPRHR-UHFFFAOYSA-N 353.773 2.455 0 40 FEAB CCCc1nnc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)s1 25790540 RDTYNKLFTLUARA-UHFFFAOYSA-N 363.462 2.390 0 40 FEAB COc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 22230599 KIRNSSWYGMFQCN-UHFFFAOYSA-N 364.423 2.109 0 40 FEAB CCCCc1ccc(N2CCn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 12532164 PWHZCSAFSLKRND-UHFFFAOYSA-N 367.453 2.411 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 101061856 WSEBHFKFUDUPGM-UEFGCPDKSA-N 366.417 2.077 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 12573511 WAPZZFBFZCRDAB-IACUBPJLSA-N 366.483 2.270 0 40 FEAB COc1cc(CCC(=O)NCc2nncn2C)ccc1OCC(F)(F)F 58209875 ADPOAQUMNONHOX-UHFFFAOYSA-N 372.347 2.014 0 40 FEAB C[C@@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 58224193 PYZCTXAAFFQDKE-ZIAGYGMSSA-N 357.410 2.097 0 40 FEAB COc1ccc(-c2ccc(CCC(=O)NCCN3CCOCC3)o2)cc1 27773398 QTTZSOTVBDIVFP-UHFFFAOYSA-N 358.438 2.336 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccccc1 36357374 LNKMSQMBJTTZKR-AWEZNQCLSA-N 358.419 2.200 0 40 FEAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2sccc2-n2cccc2)CC1 48253259 WVDDICAHQQGCKS-OAHLLOKOSA-N 374.510 2.211 0 40 FEAB Cc1ccsc1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 29086032 UKLWUBNEYWURQZ-UHFFFAOYSA-N 358.872 2.418 0 40 FEAB CN1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@@H](c2ccccc2)C1 23010511 HWFZZZPPQSFOOZ-GOSISDBHSA-N 365.433 2.023 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3378056 WCYZXMRBARLULR-SZNDQCEHSA-N 363.417 2.431 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1ccccc1F 3495992 XOWCYGQAVZHJDO-ZHACJKMWSA-N 357.337 2.347 0 40 FEAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cccnc1SC)c1ccccc1 3557792 CEPIGKSPDIRHBV-ZDUSSCGKSA-N 359.407 2.157 0 40 FEAB Cc1ccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(C)c1 12982574 ZARGRWISTICXTI-IBGZPJMESA-N 367.449 2.015 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1 13012946 XQMXTNDXASTUDD-UHFFFAOYSA-N 357.435 2.419 0 40 FEAB COc1ccc(N2C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)N=C2O)cc1 9052373 PIDPTIMUCIQFAH-HNNXBMFYSA-N 373.331 2.377 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc2c(c1)OCO2 4150510 INGGXEUHXVIQPW-OAHLLOKOSA-N 362.407 2.030 0 40 FEAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6085167 LCKDAJKVXHYTIB-CQSZACIVSA-N 356.451 2.445 0 40 FEAB CCn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 13835421 BUNLBUQVVVGGJD-UHFFFAOYSA-N 364.453 2.307 0 40 FEAB Cc1ccc(NC(=O)CN(C)Cc2cc(=O)n3c(C)csc3n2)cc1 14095801 SIRGFPLENFKROG-UHFFFAOYSA-N 356.451 2.443 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCc2ccccc2C1 14157635 JBLYCHTXNAOVFQ-UHFFFAOYSA-N 367.449 2.117 0 40 FEAB CC(=O)c1cccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 4776491 PKNIQWNHEAJBGG-UHFFFAOYSA-N 374.462 2.332 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cc1cccs1)OCO2 5787020 NUDMBLIDXDIVJG-UHFFFAOYSA-N 361.375 2.404 0 40 FEAB NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 66687384 JXYTZASVEOSKQI-DOMZBBRYSA-N 369.824 2.170 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)Cn2ncc(=O)c3ccccc32)[C@@H]1C 9364713 QXKDSUHDXJMXBO-NFAWXSAZSA-N 356.426 2.047 0 40 FEAB CCN(CC)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1 9471216 ADDLDTRSAOHODB-UHFFFAOYSA-N 368.485 2.084 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 8060205 DCBIMQSPGRZHIZ-UHFFFAOYSA-N 357.435 2.323 0 40 FEAB CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccn1 70037341 ODXLZKMEYMUAKE-UHFFFAOYSA-N 364.423 2.120 0 40 FEAB O=C(NCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1c[nH]c2ccccc2c1=O 69414245 CCDNQHGNYMPAMG-LSDHHAIUSA-N 367.449 2.297 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709506 VMRUNTQBVDNNJP-LLVKDONJSA-N 366.381 2.025 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1C[C@@H]2CCCCN2C1 72310038 ZWAXQRIBHKMJIP-PMACEKPBSA-N 357.498 2.009 0 40 FEAB CC[C@H](CO)NC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 84733810 FAEIZMBHBGMZGZ-CQSZACIVSA-N 372.469 2.304 0 40 FEAB C[C@H]1COC2(CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)CC2)O1 84715313 XXNWWTXBLYEZCQ-INIZCTEOSA-N 368.433 2.264 0 40 FEAB Cc1csc2ncc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(=O)n12 95463617 FLELQFCNGGJAMV-UHFFFAOYSA-N 368.418 2.444 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCOCC4)c3)C(=O)[C@H]2C1 408686327 SDXVSMXYGWJAKU-IRXDYDNUSA-N 354.406 2.005 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 75636539 UHOWLVVLXAIQSZ-CFVMTHIKSA-N 370.902 2.374 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)nn12 20745719 HPGSODBUONMJHZ-UHFFFAOYSA-N 354.389 2.427 0 40 FEAB CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O 35814339 OBWOSMGNXYUDFB-UHFFFAOYSA-N 364.449 2.190 0 40 FEAB in-vitro CCn1c(-c2nc(C(=O)N3CCNC(=O)C3)cs2)cc2ccccc21 38910873 WWKQGDUHOAVWQL-UHFFFAOYSA-N 354.435 2.357 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@@H]2C1 306143652 YHYVGFXXLAFYJC-KGLIPLIRSA-N 359.499 2.091 0 40 FEAB Cn1ccnc1CCC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 1520761124 LOHIBBGEZMMASY-INIZCTEOSA-N 371.441 2.292 0 40 FEAB CN(C)c1ccc(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1 70925788 YRLWKRBCFRAEIS-UHFFFAOYSA-N 366.465 2.430 0 40 FEAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CC1 33735030 ODOSJJAITFZOCU-UHFFFAOYSA-N 366.483 2.263 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 40024463 UFKUEKDGIPYFCJ-UHFFFAOYSA-N 371.509 2.025 0 40 FEAB c1cnc2c(N3CCCC3)nc(NCc3ccc4c(c3)OCO4)nc2n1 40227562 XABKCJDGRJVYNX-UHFFFAOYSA-N 350.382 2.361 0 40 FEAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224517820 AHGNOYYNOUCUIJ-UHFFFAOYSA-N 354.457 2.115 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cs1 96248776 XPDRDFJAJGYYQD-CVEARBPZSA-N 363.508 2.167 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 96218383 PYPJHKSILDCLBG-UZLBHIALSA-N 355.413 2.350 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 257294634 QUZUDEHZUUAIGJ-QGZVFWFLSA-N 356.470 2.344 0 40 FEAB CCOc1cccc(-c2cn([C@@H]3C[C@@]4(C(=O)N5CCOCC5)C[C@@H]34)nn2)c1 1775997380 GMJKJVFQGKPQPM-HQRMLTQVSA-N 368.437 2.154 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@@H]1c1cccc(F)c1 618776103 ZZGYLAFYJYJMIX-GOSISDBHSA-N 356.397 2.464 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2ccncc12 619291604 IDQPUUFTPYKGNV-SCLBCKFNSA-N 351.410 2.261 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2cccc(Cl)c2Cl)C[C@H]1c1cnn[nH]1 622166781 XGTQAMPZKAOMGG-GXFFZTMASA-N 355.225 2.295 0 40 FEAB Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 626144904 VYAKLLLLLSRWFZ-GXTWGEPZSA-N 370.331 2.455 0 40 FEAB O=C(C[C@@]1(C(=O)O)CCOC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 634853703 YWPFTJXMRPHKLH-LIRRHRJNSA-N 361.394 2.003 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 643857811 HHIFXDBQQZFRCN-KGLIPLIRSA-N 359.817 2.033 0 40 FEAB Cc1cccc(C2=CCN(C(=O)[C@@H]3Cn4c(C)nnc4CN3C)CC2)c1 644407579 DPDKINWZMPUJBZ-SFHVURJKSA-N 351.454 2.025 0 40 FEAB O=C(O)Cc1cccc(NC(=O)Nc2cccnc2N2CCOCC2)c1 577164559 JWYOXAGLICZVKG-UHFFFAOYSA-N 356.382 2.189 0 40 FEAB O=C1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1c1cccnc1 585150412 UMGUDOUSASFJQJ-UHFFFAOYSA-N 365.433 2.005 0 40 FEAB CN(C)[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 66047364 JCNONRLCUVICNX-HXUWFJFHSA-N 352.482 2.465 0 40 FEAB CCOc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)cc1 169780454 WFEQRWSURLQNHJ-UHFFFAOYSA-N 366.421 2.490 0 40 FEAB c1nc2c(c(N3CCN(c4ncnc5c4CCCC5)CC3)n1)CCCC2 675631000 WHXGVKFZYQQKGM-UHFFFAOYSA-N 350.470 2.351 0 40 FEAB C[C@@H](C(=O)NCc1noc(C(F)(F)F)n1)n1ccc(C(F)(F)F)n1 632786566 JZQPBUBIPKZLLN-YFKPBYRVSA-N 357.214 2.181 0 40 FEAB O=C(O)[C@@H]1COCCN1C(=O)CCCc1ccc(Br)s1 88374225 PKJWYIBDGKWBOJ-JTQLQIEISA-N 362.245 2.145 0 40 FEAB Cc1nc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)co1 1615157466 OAOUBKXRJTZHJC-IBGZPJMESA-N 373.384 2.160 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615124781 XWPJYXCPJCPLLW-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB COc1cccc([C@@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1 5809637 YTYRHJIDNMHEKD-KRWDZBQOSA-N 356.330 2.279 0 40 FEAB CO[C@H]1CCC[C@H](C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)C1 12145748 ODNHUVFKCHYSOM-GJZGRUSLSA-N 357.454 2.366 0 40 FEAB Cc1nnsc1C(=O)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156063 PZXSFGYTXWQXCZ-UHFFFAOYSA-N 373.417 2.116 0 40 FEAB Cc1nc(C)c(C(=O)N2CCc3nc4sc(C)cc4c(=O)n3CC2)o1 12253198 SQZJKXBKRITBCO-UHFFFAOYSA-N 358.423 2.070 0 40 FEAB O=C(CN1CCCCC1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 13265626 IFQJLUJZTILQHP-UHFFFAOYSA-N 372.513 2.162 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1cnn(-c2ccccc2)c1 15184645 YGPUHCQWONXZMT-UHFFFAOYSA-N 367.453 2.217 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)cc1 15360900 ZZWVFWGDKIKCQZ-UHFFFAOYSA-N 362.451 2.013 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 17076191 RFVYEBWDGKNKMD-LLVKDONJSA-N 372.299 2.107 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[nH]c(-c2cccnc2)n1 19458453 GWPOLYMMFHCNRH-NSHDSACASA-N 364.361 2.052 0 40 FEAB CC1(C)NC(=O)N(CC(=O)Nc2nc3c(s2)CCCCCC3)C1=O 19460081 VMBZKWZIFFUBDB-UHFFFAOYSA-N 350.444 2.071 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19554490 JBVIHUNYCXQMAW-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1O 205761924 FCHJYNQRXSIUAD-NTUHNPAUSA-N 351.380 2.389 0 40 FEAB O=C(CN1C(=O)CCC1=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206993764 SDBBMTKNFKZQCI-CQSZACIVSA-N 366.870 2.496 0 40 FEAB COc1cc2nc(CSC3=N[C@@H]4CCCC[C@H]4N3)[nH]c(=O)c2cc1OC 9478031 YTIIQYMXVIFUEL-VXGBXAGGSA-N 374.466 2.444 0 40 FEAB CCn1nnc2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)ccc21 11362323 OHHCOPDXXQENIV-UHFFFAOYSA-N 359.411 2.075 0 40 FEAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)nc2n1 6057100 CDVPCXGVXFLPOY-NSHDSACASA-N 357.345 2.064 0 40 FEAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)o1 6083387 RYJCYPJAQIOAOZ-AWEZNQCLSA-N 370.405 2.371 0 40 FEAB Cc1nc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c2cnn(C)c2n1 1888883434 STXOQWYOTBYNLG-CYBMUJFWSA-N 365.441 2.244 0 40 FEAB COc1cc(NC(=O)c2nnn3c2nc(O)c2ccccc23)cc(OC)c1 1889007123 HWABTXYMBLCGSU-UHFFFAOYSA-N 365.349 2.253 0 40 FEAB O=C([C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCCC1 1889136094 DMYVJMLHRLCCQU-OAHLLOKOSA-N 358.360 2.408 0 40 FEAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)N1CCCCC1 4940089 XVRHKDROPHJUGE-UHFFFAOYSA-N 373.478 2.478 0 40 FEAB Cc1ncoc1C(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734555 IWQGDFYZTYPBPG-UHFFFAOYSA-N 374.416 2.297 0 40 FEAB CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cc3ccccc3n1C)C2 2055781608 TYMGTXBEPUGFNR-WIYYLYMNSA-N 369.465 2.324 0 40 FEAB Cc1cc(CN2CCC(CNC(=O)C(=O)Nc3cccnc3)CC2)c(C)o1 43941066 FTDVSVWWPMOEAD-UHFFFAOYSA-N 370.453 2.258 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 35855872 CXAZEADRWYTSEP-HNAYVOBHSA-N 351.450 2.461 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116635 DWCFJHXXZBWSLA-INIZCTEOSA-N 371.359 2.389 0 40 FEAB CN(C)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31232750 FGFYLFDAFYNVEJ-UHFFFAOYSA-N 361.467 2.251 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)F)c(Cl)c1 32912516 NQXPSMSDVIMSFK-XVKPBYJWSA-N 351.758 2.091 0 40 FEAB CCOc1ccccc1NC(=O)Cn1c(CC(=O)NC)nc2ccccc21 903307 HVEQTMCZXHINPL-UHFFFAOYSA-N 366.421 2.362 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(I)c1 1008746 ZCSUGMQAQRSLBZ-MRVPVSSYSA-N 369.224 2.377 0 40 FEAB COC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 77924735 YTRGVNUMRBOZMI-DGCLKSJQSA-N 356.369 2.044 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 22313443 LWVPOJJJRUYATN-MRXNPFEDSA-N 362.433 2.270 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)CS[C@H]21 4082002 HRKZBHUOMDLPEH-KPZWWZAWSA-N 364.467 2.436 0 40 FEAB biogenic CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 7939736 FHGFPEIRENVUQV-UHFFFAOYSA-N 374.393 2.257 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(C(F)(F)F)cc1 23642089 TZQTUTWAMMMQNK-UHFFFAOYSA-N 369.343 2.186 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C)cc2C)c1 8919090 JDYTTZKXYIVEDS-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB Cn1cc(CCNC(=O)COc2ccc(Br)cc2F)cn1 42717070 RGNQEVOIEWOBSJ-UHFFFAOYSA-N 356.195 2.059 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N(C)[C@@H](C)c2cccs2)c1=O 24237125 HMEANDNLFMWXGV-ZDUSSCGKSA-N 371.462 2.464 0 40 FEAB C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1Cl 10814293 BDIHMGXVPKKPNN-SNVBAGLBSA-N 363.830 2.021 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1nc(-c2ccsc2)no1 24726555 PXSSXQUEZDDRBU-GFCCVEGCSA-N 351.428 2.435 0 40 FEAB Cc1ccc2[nH]nc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c2c1 97256048 DCLRHEAWCHFWQW-UHFFFAOYSA-N 372.450 2.052 0 40 FEAB NC(=O)C1(CNC(=O)c2ccccc2COc2ccccc2)CCOCC1 47909386 WMGVEUVZEZGCSD-UHFFFAOYSA-N 368.433 2.278 0 40 FEAB Cc1cc(C)n(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)n1 25449070 BROOETNAPLBJDJ-UHFFFAOYSA-N 354.454 2.442 0 40 FEAB Cn1nnnc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3270183 PAHCWYOJCFOPLP-UHFFFAOYSA-N 352.729 2.008 0 40 FEAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCO[C@@H](c2ccccc2)C1 72404723 RIYVWGAPDDLNJS-LJQANCHMSA-N 363.417 2.456 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(C)=O)cc1 100395369 FVFJOIYTKDVNGT-LHIBYTEYSA-N 366.417 2.059 0 40 FEAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 57525820 UQBXEWVCQJNENS-UHFFFAOYSA-N 369.421 2.119 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C1 48286143 CFHKBCKKJSPRDH-HNNXBMFYSA-N 352.504 2.138 0 40 FEAB COc1cc(CC(=O)NC[C@H]2CCCN(C(C)C)C2)cc(OC)c1OC 58077896 ABZADUCXWJAAKS-OAHLLOKOSA-N 364.486 2.492 0 40 FEAB COc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1F 58203491 CRXYEHHMLRHBMA-UHFFFAOYSA-N 358.417 2.321 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)Cn1nnc(-c2ccccc2)n1 3321434 AFSARFPNOZQZHR-UHFFFAOYSA-N 365.393 2.139 0 40 FEAB O=C(NCCCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1F 58357308 BRMFHWNULWLIPJ-UHFFFAOYSA-N 372.368 2.202 0 40 FEAB C[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2270548 TVVKFADETYGQFE-IEMQHYRPSA-N 356.353 2.186 0 40 FEAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc[n+]([O-])c1 3333398 LRJOKIIABBRAHB-UHFFFAOYSA-N 367.327 2.428 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 24032402 HNEVDVUADZMQRQ-SCLBCKFNSA-N 355.394 2.085 0 40 FEAB CCOC(=O)c1cccnc1N1CCN(CCOc2ccccc2)CC1 48314499 OMLMQXDFCVRIAN-UHFFFAOYSA-N 355.438 2.459 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1Cc2cc(Cl)ccc2O1 11153371 CVWVRYATAYUYKJ-KRWDZBQOSA-N 373.840 2.192 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)CCOc3ccccc3)oc(C)c12 11290324 MJNIXZNMDQCDJU-UHFFFAOYSA-N 370.409 2.082 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)c2ccc(F)cc2)CC1 12814830 PZMICNGADUFVFB-CYBMUJFWSA-N 367.446 2.498 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12867724 RXPNZYURFUDZIV-UHFFFAOYSA-N 354.362 2.076 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859037 PHQUVNZHPNRIJE-CWSCBRNRSA-N 366.723 2.124 0 40 FEAB CCOc1cc2c(cc1CNC(=O)c1ccc(C(N)=O)cc1)O[C@H](C)C2 12992988 GYGQNUNGXFMINB-GFCCVEGCSA-N 354.406 2.438 0 40 FEAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3600536 QUPFEOMLVHGCIT-APPDUMDISA-N 351.834 2.412 0 40 FEAB COc1cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc(OC)c1 13006487 HUGLMDKJDJHVCG-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB COc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059954 HLYHBKSRLBWRAG-LBPRGKRZSA-N 352.398 2.217 0 40 FEAB COc1ccc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)cc1 9167025 KMCPMWVXLMZKLY-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 9184533 KSHQSZSYQKMTPA-CYBMUJFWSA-N 365.480 2.491 0 40 FEAB FC(F)(F)c1cccc(-c2nnn(Cc3nnnn3-c3ccccc3)n2)c1 14112222 VIQXLYIUUDBUMC-UHFFFAOYSA-N 372.314 2.383 0 40 FEAB COc1cc(C(=O)Nc2cc(F)cc(F)c2)cc(OC)c1OCC(N)=O 14111050 DFIYYYPWNOAKJN-UHFFFAOYSA-N 366.320 2.098 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1 24165638 RNDMUTQJWQQORL-UHFFFAOYSA-N 371.412 2.373 0 40 FEAB CNc1nc2c(s1)[C@@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2 66091374 WURHEQRYYIBSTJ-MRVPVSSYSA-N 363.395 2.405 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 5689493 OLBZEAWJQMNUQE-FQEVSTJZSA-N 370.453 2.336 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cc1 6758699 PBDJUGINYNBVQO-ZDUSSCGKSA-N 368.389 2.474 0 40 FEAB O=c1ccc(-c2ccccc2F)nn1CN1CCN(c2ccccn2)CC1 66792024 KVJQIMCDLDUBOC-UHFFFAOYSA-N 365.412 2.224 0 40 FEAB COCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(N2CCCC2)n1 67256999 CXSMIVQTCYJHHW-UHFFFAOYSA-N 370.453 2.245 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 15329532 ODJMUTHQMFOXDY-SNVBAGLBSA-N 374.871 2.027 0 40 FEAB CCN(CC)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl 22681883 OWTMIGVTUIXTFG-INIZCTEOSA-N 364.877 2.447 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1N1CCCC1=O 16105661 JYJGTFYTZODWQF-UHFFFAOYSA-N 351.406 2.111 0 40 FEAB O=C(CSc1ncn[nH]1)Nc1cc2c(cc1Br)OCCO2 9336266 QXNCFCANSZJXFT-UHFFFAOYSA-N 371.216 2.069 0 40 FEAB COc1ccccc1N(CCCC(=O)N1CCCCC1)S(C)(=O)=O 113968311 AQEJLWIVDRVKTE-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB Cc1ccccc1[C@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@@H](C)CO1 95403614 YHBBSOLSPGMXJP-GOEBONIOSA-N 355.442 2.204 0 40 FEAB O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 89818791 HDMJRSUTGKKTRW-HRCADAONSA-N 354.516 2.054 0 40 FEAB CCC[C@@](C)(O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 89949430 MHOIVBKPYWQZFL-HXUWFJFHSA-N 361.438 2.430 0 40 FEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1sccc1Br 42524328 HQTUMLJHRGQOBY-SSDOTTSWSA-N 356.263 2.384 0 40 FEAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408593239 LYAUVUCDXZEEOQ-QGZVFWFLSA-N 360.479 2.491 0 40 FEAB COc1cccc(C(F)(F)CNc2ccc3nnc(C(F)F)n3n2)n1 553727383 AHTSYBCVTHFPPE-UHFFFAOYSA-N 356.283 2.669 0 40 FEAB Cc1c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 11865448 BMXGCWDTEDSBSJ-MRXNPFEDSA-N 361.394 2.273 0 40 FEAB biogenic CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6357716 JWMYGLVKXABREZ-QGHHPUGFSA-N 361.394 2.404 0 40 FEAB biogenic CCOc1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)o2)cc1 33648387 JECZJMBHRUPXNV-XNTDXEJSSA-N 370.361 2.411 0 40 FEAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898088 DWNPCGOXOJWVSG-PSJXJDHFSA-N 360.435 2.187 0 40 FEAB Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 42793295 PQAFUFFMNFZKFL-UHFFFAOYSA-N 362.407 2.196 0 40 FEAB COc1ccc(N(C)C(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225975588 POVHROIGZNXKKP-UHFFFAOYSA-N 362.451 2.297 0 40 FEAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCOCC3)n2)cc1 225932102 WROSEVYYHYYRTA-UHFFFAOYSA-N 373.482 2.117 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 40091859 ZFXKHZICNRBXBZ-KRWDZBQOSA-N 350.484 2.023 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)n1 96061257 XEGRJWPERHSFRP-KRWDZBQOSA-N 357.454 2.166 0 40 FEAB COCc1nnc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)s1 96118798 IHPMIRWVFJJKAV-UHFFFAOYSA-N 359.411 2.236 0 40 FEAB COc1ccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 95117157 NWCKNRBEELWVEA-OAHLLOKOSA-N 365.451 2.064 0 40 FEAB Cc1nc(COC[C@]23COC[C@H]2CN(c2ncc(F)cn2)C3)cs1 96209047 SAKWQVLWTUBHLV-WBMJQRKESA-N 350.419 2.050 0 40 FEAB O=S1(=O)CC[C@H](c2nn3c(-c4ccccc4Cl)nnc3s2)C1 96231065 NRTDZWZKQXKHCP-QMMMGPOBSA-N 354.844 2.408 0 40 FEAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 96074456 OBRYBDBVWDGDSF-HXUWFJFHSA-N 357.454 2.405 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228225 FGIJUXKFCWJNRR-UHFFFAOYSA-N 352.438 2.218 0 40 FEAB Oc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c1 247849350 FZPGDMIDZUPWDP-KXBFYZLASA-N 352.438 2.281 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)ncn1 248069383 AREASULUYYLIDY-OAHLLOKOSA-N 355.442 2.002 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(Cc3ccnn3C)C2)n1 257324383 WOLWUQJNFKUUFC-OAHLLOKOSA-N 364.457 2.432 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)CCO2)n1 257203887 ASBXJQKKNTWUGR-INIZCTEOSA-N 356.357 2.325 0 40 FEAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2cncc(N(C)C)n2)n1 257210832 BWJHECAPHXCRMI-KRWDZBQOSA-N 356.474 2.500 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)Nc3c(C)noc3C)cc2C1 656619342 NAUIFVQIGIWOQK-UHFFFAOYSA-N 355.441 2.058 0 40 FEAB CC1(C)OCC[C@@H]1CNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 661048598 MVSQNULGJWIISV-CQSZACIVSA-N 361.421 2.080 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 1775959773 WCOUPAOPKSRRLS-RHSMWYFYSA-N 353.426 2.352 0 40 FEAB C=CC(=O)NCCC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245652 XJZWOYKNIGWXDR-KGLIPLIRSA-N 356.344 2.032 0 40 FEAB COc1ccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)c(C)c1 96098817 CNBKURYTNWPHHJ-UHFFFAOYSA-N 372.450 2.241 0 40 FEAB COc1ccccc1OCC(=O)N1CC[C@H](Oc2nc(C)cc(C)n2)C1 390829045 WEULEZYQEQDGGP-HNNXBMFYSA-N 357.410 2.161 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575405213 QUSVAXBELNECAQ-OAHLLOKOSA-N 363.421 2.199 0 40 FEAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2cnn(C)c2)C[C@H]3OC)c1 585290825 HANRRYSWTKTQRL-MISYRCLQSA-N 357.454 2.202 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)C[C@@H]3CC(C)(C)OC3=O)cc2n1 12154067 IYJYLKBELDZMGE-OCCSQVGLSA-N 372.425 2.139 0 40 FEAB Cc1ccsc1CN1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 12471563 MYBAMIMSQCJRDZ-CQSZACIVSA-N 355.471 2.412 0 40 FEAB NC(=O)COc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 13546990 MOAAYNSIWMVGIW-UHFFFAOYSA-N 373.453 2.188 0 40 FEAB COc1cccc(CN2CCn3c(nnc3C3CCN(C(C)=O)CC3)C2)c1 19711234 JOFNBVLRWCPTFF-UHFFFAOYSA-N 369.469 2.028 0 40 FEAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)N(C)C 19754197 ZBNYPRSISPOYGY-INIZCTEOSA-N 353.426 2.249 0 40 FEAB O=c1/c(=C/c2ccc3c(c2)OCO3)sc2nnc(Cc3ccccc3)n12 1625245 SMKFKRCSRCEISJ-SXGWCWSVSA-N 363.398 2.018 0 40 FEAB CCCc1nnc(S/C(=C\c2cccc(OCC(=O)O)c2)C(=O)O)[nH]1 7342297 BTRXOPNPNMUWFB-WQLSENKSSA-N 363.395 2.438 0 40 FEAB O=C(NCCCn1ccnc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 6446370 NEJJIKMXHSDIAX-NBVRZTHBSA-N 364.405 2.454 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO)ccc1O 106611619 OGFXBIXJCWAUCH-XBHMSOGKSA-N 360.406 2.020 0 40 FEAB biogenic,in-vitro Cc1nccc(N2CCN(C(=O)c3cnn4cccc(Cl)c34)CC2)n1 613500403 PCNALJOAHJACML-UHFFFAOYSA-N 356.817 2.049 0 40 FEAB CN1C(=O)CC[C@@H](Nc2ncnc3ccc(F)cc23)[C@@H]1c1ccnn1C 583617920 KLHUOSACWHDNAD-RHSMWYFYSA-N 354.389 2.276 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H](COc3ccc(C(C)(C)C)nn3)C2)nn1C 1888852976 FIYWKDXJVNHSNZ-CQSZACIVSA-N 357.458 2.357 0 40 FEAB COc1ccccc1CCNC(=O)CCc1c(C)nc2ncnn2c1C 19600169 WZUSLWAOIPCREZ-UHFFFAOYSA-N 353.426 2.041 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)c4cc[nH]n4)CC3)C2)cc1 1565553718 CHQJHMKCOQHECV-UHFFFAOYSA-N 354.454 2.225 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccc(F)c1 9660983 LIGFZIHBEINTFH-UHFFFAOYSA-N 373.409 2.028 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1F 22767268 OOQBVBXJHHXSQS-HNNXBMFYSA-N 370.471 2.239 0 40 FEAB CSc1ncccc1C(=O)N1C[C@@H]2CN(c3cc(C)ncn3)C[C@@H]2C1 1889095807 JNUGRZREXQJSOY-OKILXGFUSA-N 355.467 2.110 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1 618255626 UVSCROQBLUNKGX-HNNXBMFYSA-N 368.436 2.160 0 40 FEAB Cn1cc(-c2cncc(N3CCN(Cc4ccc(F)cc4)CC3)n2)cn1 2298222281 QVZBNRUOXNYVFT-UHFFFAOYSA-N 352.417 2.338 0 40 FEAB O=S(=O)(NCC[C@@H](O)c1ccoc1)c1ccccc1Br 96097330 WCCBRDYGDTTXAV-GFCCVEGCSA-N 360.229 2.444 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)N(C)C)nc2s1 40083288 ZCMKUZVKJVYVKN-UHFFFAOYSA-N 357.439 2.027 0 40 FEAB Cc1nc(C)c(CC(=O)NCc2ccnc(Oc3ccccc3)c2)c(=O)[nH]1 40110640 PHEZPAJFGHMPLI-UHFFFAOYSA-N 364.405 2.433 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCNC(=O)c1ccco1 31050784 SADDLFOISAHOCJ-QGZVFWFLSA-N 367.405 2.090 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)NCCCN1CCc2ccccc2C1 32400890 BFHTYKSMBSZMTF-UHFFFAOYSA-N 372.490 2.268 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CC=CCC2)cc1 32830037 RDGBXBGSHLFCOB-AWEZNQCLSA-N 353.440 2.215 0 40 FEAB CON(C)S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 52954966 QQDSQKDOGCVBII-GFCCVEGCSA-N 367.254 2.391 0 40 FEAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1c[nH]c2ccc(F)cc12 12297113 UCDVACVFNFMBPR-UHFFFAOYSA-N 367.388 2.134 0 40 FEAB biogenic COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCC(C)C)CS[C@H]21 2158414 GRQYWCLJNJRDJV-PIGZYNQJSA-N 350.440 2.046 0 40 FEAB biogenic Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCNC(=O)C3)c2c1C 8719272 ICAYAFYMWBBMRC-UHFFFAOYSA-N 373.526 2.476 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 22989462 MHQJKROXNVUCAZ-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB CCn1cnnc1CNC(=O)NCc1ccc(F)cc1Br 54756696 RCCPHFLUFFDGLH-UHFFFAOYSA-N 356.199 2.199 0 40 FEAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCCC1 24190086 CKIREJWRBPJTGZ-UHFFFAOYSA-N 373.526 2.432 0 40 FEAB CNC(=O)NC(=O)[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 25664957 RQJHGDPCEYVJRH-ACJLOTCBSA-N 369.421 2.305 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(OC)c1OC 3219315 CXVYESSFKWAPIH-UHFFFAOYSA-N 371.389 2.459 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O 57477485 DTGIFSMACQEALG-HUUCEWRRSA-N 357.454 2.078 0 40 FEAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCC2 53386999 QYIUMPXCSSREBN-ZDUSSCGKSA-N 350.484 2.024 0 40 FEAB O=C(Nc1ncccc1O)C1CCC(C(=O)Nc2ncccc2O)CC1 12794820 DITNEGYBPYBOSZ-UHFFFAOYSA-N 356.382 2.271 0 40 FEAB CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 2093943 JFPDFNOZNGFYKE-LBPRGKRZSA-N 362.378 2.456 0 40 FEAB biogenic COc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 44700674 FKCZMKJZTYZMEC-UHFFFAOYSA-N 354.341 2.371 0 40 FEAB CC(=O)N1CCCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 10297279 WHIZLBIXUAWWKT-GFCCVEGCSA-N 373.375 2.466 0 40 FEAB CC(C)CCO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 58281679 CXUKNKITEYLWRW-GFCCVEGCSA-N 362.517 2.066 0 40 FEAB Cn1nc(Br)c2c(N[C@H]3CCCCC[C@H]3CO)ncnc21 84310294 HEFVKMLSGYCKMT-UWVGGRQHSA-N 354.252 2.479 0 40 FEAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1nnc(C2CC2)s1 72400843 UMMKMZRPVFMQQW-UHFFFAOYSA-N 364.822 2.176 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC(C)C)c1ccc(C)cc12 2395833 NZNADKCCLLBTGZ-SFHVURJKSA-N 374.466 2.153 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)s1)C1CC1 11332630 ZNQSTAKTWIGJNU-UHFFFAOYSA-N 373.434 2.288 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)c2ccccc2o1 3335393 URNYJVFPBMBLAR-UHFFFAOYSA-N 363.325 2.246 0 40 FEAB CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1N 11522968 RYSZEEHKZOMDCZ-UHFFFAOYSA-N 354.435 2.404 0 40 FEAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NC(=O)NC1CCCC1 12866389 ISXKBDWALCAEPS-SNVBAGLBSA-N 352.464 2.037 0 40 FEAB CCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 3623876 PHBRMAJCVWLHJV-OAHLLOKOSA-N 357.332 2.303 0 40 FEAB COc1ccc(C)c2cc(CNS(=O)(=O)c3ccccc3)c(=O)[nH]c12 49651881 ZVTDAYZYAQUMCJ-UHFFFAOYSA-N 358.419 2.324 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 13616098 ANFAOSQMAXJMSD-SLDRDFCHSA-N 369.417 2.060 0 40 FEAB Cn1nnnc1SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13638259 SXMZDPDIHAILRU-UHFFFAOYSA-N 356.436 2.467 0 40 FEAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1cc(F)ccc1F 8935555 PPMSSSYEZXNYRJ-MRVPVSSYSA-N 368.413 2.058 0 40 FEAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1 6028220 XNRVAPKMDSEGNS-UHFFFAOYSA-N 372.421 2.167 0 40 FEAB NC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 13726891 PSPQFBVHMYMKMW-UHFFFAOYSA-N 366.402 2.240 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccccc2NC(C)=O)C1=O 9009954 OCACPHKBUSLZLD-PTNGSMBKSA-N 358.398 2.209 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)C2=O 65567045 SZWIZANZJNTQQW-HRLGVUPISA-N 374.441 2.021 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1 9154347 BANGDOGSVKDFEF-RMKNXTFCSA-N 351.366 2.261 0 40 FEAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C)cc1 7215510 UEQIIMRYZCKIEY-UHFFFAOYSA-N 352.481 2.384 0 40 FEAB COc1cc2c(cc1OC)CN(CC(=O)Nc1c(C)nn(C)c1C)CC2 7677320 FVFLAGAWIMPUBH-UHFFFAOYSA-N 358.442 2.051 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12)c1ccncc1 306133406 MKKARZDJQLVSJK-QXAKKESOSA-N 355.413 2.098 0 40 FEAB O=C(Nc1nc(-c2ccncc2)cs1)[C@@H](c1ccccc1)n1cnnn1 95479672 YQZRWHUDUKUQIG-OAHLLOKOSA-N 363.406 2.420 0 40 FEAB CCn1nc(C)c(-c2cc(C(=O)Nc3n[nH]c(CC(C)C)n3)n[nH]2)c1C 95480103 IJDFIYBMOMZHSE-UHFFFAOYSA-N 356.434 2.479 0 40 FEAB O=C(c1ccc[nH]1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999132 XXRFJBQVRKUDJL-OAHLLOKOSA-N 359.451 2.012 0 40 FEAB Cc1nccn1CCCN(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 89735647 SINFKGXJTPWILU-UHFFFAOYSA-N 369.469 2.279 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C 408601311 FKHLZOMHOOQMRE-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB COc1cc(C)ccc1C(=O)NCc1cccnc1N1CCN(C)CC1 547706344 MYMSZXOKKNSGII-UHFFFAOYSA-N 354.454 2.080 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375107 DQHVGKHKMKJZNQ-INARBTAWSA-N 373.428 2.001 0 40 FEAB Cc1cccc2c1OC[C@@H](NC(=O)N1CCN(c3ccccn3)CC1)C2 521710135 QYZXRDJPJZSRCY-KRWDZBQOSA-N 352.438 2.225 0 40 FEAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N2CCNCC2)nc1 72216322 GMZAVVBVDYKFHS-UHFFFAOYSA-N 362.474 2.369 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl 38771129 LSOHWCALFDHFMV-LBPRGKRZSA-N 359.879 2.105 0 40 FEAB CCOc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C 71195542 RSKVHXAVIZZWNO-AWEZNQCLSA-N 366.425 2.207 0 40 FEAB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1Cl 225192876 AEHUJSYFKVDQOQ-NSHDSACASA-N 362.879 2.275 0 40 FEAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1 145594152 CSWRNAPVHNRXDJ-UHFFFAOYSA-N 361.470 2.468 0 40 FEAB O=C(NCc1cccnc1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239271 VTAQHXZVWZPUDW-SFHVURJKSA-N 356.451 2.482 0 40 FEAB CNCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 257260882 LEWIKUCIRJKTLF-UHFFFAOYSA-N 354.458 2.006 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1F 257310069 UDNSKVSXHRMKEF-APWZRJJASA-N 361.461 2.289 0 40 FEAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 257259836 LAGXEHIZLOVSTC-GOSISDBHSA-N 356.401 2.158 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 604382288 NHEHVGGNMCBRAG-UAFMIMERSA-N 371.456 2.183 0 40 FEAB biogenic,in-vitro O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCO[C@H](CCc2ccccc2)C1 363780573 QDAKXIBJEHVHSX-QZTJIDSGSA-N 354.454 2.310 0 40 FEAB COc1cccc([C@](C)(CC(=O)O)NC(=O)c2n[nH]c3c2CCCC3)c1 653673680 ZDONDTASPJKEAA-IBGZPJMESA-N 357.410 2.417 0 40 FEAB Cn1nc2ccccc2c1C(=O)N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958090 CILUPQYXEOWGAL-JKSUJKDBSA-N 357.410 2.058 0 40 FEAB Cn1cc([C@H](O)CNC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21 96337324 HNAWKCTXACNJNM-LJQANCHMSA-N 369.465 2.335 0 40 FEAB O=C(CCc1cccnc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288391 ZEVLAVATHLBNBY-QKNQBKEWSA-N 352.434 2.160 0 40 FEAB CCN1CC[C@@]2(CN(C(=O)c3cc(C)nc(C)c3)CC(F)(F)C2)C1=O 585093184 HYTXGBKVMQWOTD-QGZVFWFLSA-N 351.397 2.418 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2ccnc3ccccc23)Cc2cccn2C1 585099087 JZXOWROCKIEKEI-HNNXBMFYSA-N 362.433 2.445 0 40 FEAB C[C@H](COc1ccccc1F)NC(=O)Cn1cnc2ccccc2c1=O 55673986 CQNQOAZMFSVEEN-CYBMUJFWSA-N 355.369 2.119 0 40 FEAB CC(C)CNC(=O)NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 57352260 FWWUUWCDRZJCBS-AWEZNQCLSA-N 353.488 2.211 0 40 FEAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cn(C)nc4C)C[C@@H]32)c1 12121102 VXWJCWGIJXSECO-WNYOCNMUSA-N 355.438 2.107 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCCC3)c(=O)o2)c2ccccc12 12143028 CYJHUAKLTVLFOZ-UHFFFAOYSA-N 353.378 2.288 0 40 FEAB C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 12145145 WHTWHAARRPNJRW-HUUCEWRRSA-N 354.454 2.113 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccco1 15935389 YZWQUCMJEIHLNI-UHFFFAOYSA-N 352.387 2.002 0 40 FEAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 17074792 MUUPRQJABOPRHO-UHFFFAOYSA-N 363.464 2.078 0 40 FEAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1nc2c(s1)CCCC2 19657914 FIBRLZLGAUYFNB-UHFFFAOYSA-N 373.482 2.294 0 40 FEAB O=C1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)NC(=O)N1 19716713 XSBKCJCBEAJQJK-MRXNPFEDSA-N 371.368 2.331 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 169296139 KHWMYTSEJQOBMD-RCCFBDPRSA-N 356.466 2.430 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)c1 4964790 FDAVTDFIKQUDNA-UHFFFAOYSA-N 360.439 2.302 0 40 FEAB Cc1ncnc(OC[C@]23CCC[C@@H]2CN(c2ccc4nncn4n2)C3)c1C 1888904031 XPJPINNPNNXPLQ-DNVCBOLYSA-N 365.441 2.217 0 40 FEAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1889139518 OUSKEHQWSCHILC-LLVKDONJSA-N 363.405 2.493 0 40 FEAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(Oc2cccnc2)C1 238903690 RRXMGURQVCJUMB-ZDUSSCGKSA-N 371.824 2.378 0 40 FEAB COc1cc([C@H]2C[C@](O)(C3(O)CCCCC3)ON2)cc(OC)c1OC 78547001 ZDVFVGCGQOMJDF-FZKQIMNGSA-N 353.415 2.062 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1Cl 4941516 WJHBPZFVIZHIQK-CYBMUJFWSA-N 352.818 2.389 0 40 FEAB C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10233805 NGUKOGSFVAHQGG-AATRIKPKSA-N 365.437 2.241 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 12234843 KVUGNDFEFJVMFO-UHFFFAOYSA-N 358.419 2.468 0 40 FEAB Cc1ccccc1COc1cn(CC(=O)NC2CCCC2)c(CO)cc1=O 12231278 DUCUMYPHILDPPG-UHFFFAOYSA-N 370.449 2.287 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1ccccc1F 2055739247 ORTUOXIKPDQNEZ-LBPRGKRZSA-N 357.385 2.241 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cc1 2055732324 BUKCLCCLALVGDD-INIZCTEOSA-N 355.438 2.103 0 40 FEAB O=C([C@@H]1CCCN(c2ncnc3c2CCC3)C1)N1CCC(F)(F)CC1 2298183922 GIMNCUNULQVUJF-CYBMUJFWSA-N 350.413 2.439 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 31436188 DXXZANKYWZJJFB-AWEZNQCLSA-N 356.488 2.308 0 40 FEAB CCc1nnsc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 32753845 GYHCWVYOQTYJGG-UHFFFAOYSA-N 364.858 2.352 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2ccc(Cn3cncn3)cc2)ccn1 47014135 IQWGTZUGQBTUHN-UHFFFAOYSA-N 373.420 2.146 0 40 FEAB Cc1cc(N2CCN(C)CC2)nc(S[C@@H](C(=O)O)c2ccccc2)n1 3214230 KJKNEJYLLCRCEP-MRXNPFEDSA-N 358.467 2.455 0 40 FEAB CCCCNC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 12423178 KVFYOQKUGYGOJN-UHFFFAOYSA-N 366.483 2.376 0 40 FEAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(F)cc1 4352368 BEWHSIYFFYGFLI-UHFFFAOYSA-N 370.336 2.275 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(Cl)c1 6057345 FFBRZUGEUJGWCJ-UHFFFAOYSA-N 373.800 2.498 0 40 FEAB Cn1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)ccc1=O 84368652 JPOMWFIBPKBFBW-KRWDZBQOSA-N 352.390 2.354 0 40 FEAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N(C)c1ccccc1 6385722 LBBFOJJUUPUYJJ-ZDUSSCGKSA-N 365.389 2.060 0 40 FEAB Cc1cc(COC(=O)c2cccc(C(=O)OCc3cc(C)on3)n2)no1 7834120 JIFFIXLPQKRPCY-UHFFFAOYSA-N 357.322 2.388 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccnc1Cl 104371139 VNTVSSOLRLOSDC-XNTDXEJSSA-N 373.796 2.394 0 40 FEAB Cc1c(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)cnn1C 100214178 CMTFKAWPYDKTAU-HZPDHXFCSA-N 366.531 2.004 0 40 FEAB NC(=O)CNC(=O)c1ccc(CNCc2ccc(Cl)cc2Cl)cc1 47798893 FWQJYXWTZZJWLH-UHFFFAOYSA-N 366.248 2.498 0 40 FEAB O=C(O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)O)cc2)cc1 3172939 SZXYEHVLWAFWJJ-QZTJIDSGSA-N 360.318 2.240 0 40 FEAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 8732516 JBSOAEMRJORDHU-CQSZACIVSA-N 368.389 2.450 0 40 FEAB Cc1ccccc1[C@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 12544638 NWXIGHNVGUVJSR-KRWDZBQOSA-N 360.417 2.380 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1cccc(OC)c1OC 3219253 NXHMAJKWTBRCQM-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1 57395557 ORBDQBJPAMRENH-KRWDZBQOSA-N 366.465 2.223 0 40 FEAB Cc1cc(Br)c(O)c(C(=O)NCCNC(=O)c2ccco2)c1 58017331 QNPCRVFSTNWLDG-UHFFFAOYSA-N 367.199 2.216 0 40 FEAB C[C@@H](C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)n1cncn1 58179501 ZLLGSGZPJIWQOG-ZDUSSCGKSA-N 356.405 2.460 0 40 FEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 58215425 KBBNQMVJNYKTQL-KRWDZBQOSA-N 357.454 2.412 0 40 FEAB O=C(Nc1ccn(Cc2cccnc2)n1)c1cccc(N2CCNC2=O)c1 58218072 IZMFRUMFOQDXKP-UHFFFAOYSA-N 362.393 2.108 0 40 FEAB CCc1noc(C)c1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58250657 PEBSKAVNDYEQBJ-KRWDZBQOSA-N 361.417 2.488 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1OC 57697041 MCHPYGGZAXTLDH-UHFFFAOYSA-N 372.446 2.459 0 40 FEAB O=C(CNC(=O)c1ccco1)Nc1nc(CN2CCCCCC2)cs1 12760280 LJXLRKZADHHJRL-UHFFFAOYSA-N 362.455 2.481 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCOc2ccccc2)c1 58407228 DABDDHFZDSIGDO-UHFFFAOYSA-N 363.439 2.137 0 40 FEAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1F 95430090 GREPQEJMWOARNI-ZUZCIYMTSA-N 356.394 2.125 0 40 FEAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccc2c(c1)OCCO2 29323279 ZOLPCSSYUCUPFQ-UHFFFAOYSA-N 368.437 2.452 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2ccccc2[nH]c1=O 12894686 LZBSTOKUGVXUAB-AWEZNQCLSA-N 350.374 2.440 0 40 FEAB CCc1ccc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2c1 12990132 QWJVXTHBSINPSW-UHFFFAOYSA-N 367.496 2.469 0 40 FEAB CS(=O)(=O)N(CC(=O)NC1CC1)Cc1ccc(Cl)c(Cl)c1 408624368 STXAIVCZZIXFOY-UHFFFAOYSA-N 351.255 2.034 0 40 FEAB COCCNC(=O)COc1c(Br)cccc1Br 49373594 UIOXQLSHXRNQNZ-UHFFFAOYSA-N 367.037 2.353 0 40 FEAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCc2ccccc2)c2ccccc21 4046573 DNKSFLNQEAVKQT-LPHOPBHVSA-N 350.374 2.163 0 40 FEAB biogenic C[C@@H]1CN(c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)C[C@@H](C)O1 28218634 CKIDFOPIGQMOPJ-HUUCEWRRSA-N 370.457 2.065 0 40 FEAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 9253156 XEKUPACCKWNBNH-UONOGXRCSA-N 371.462 2.299 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(NC(C)=O)cc2)c1 7312836 CIGXXNINUPKHQF-UHFFFAOYSA-N 369.421 2.293 0 40 FEAB COc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 15831560 JZWDIKFEOMWVPQ-KRWDZBQOSA-N 362.470 2.177 0 40 FEAB C[C@@H](SCc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)c(Cl)c1 9335571 ZGVBIEMCVFGVRX-ZCFIWIBFSA-N 356.814 2.089 0 40 FEAB CCNC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 97011543 YDPPOLHVROWLKT-UHFFFAOYSA-N 361.833 2.217 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)nc(Cl)c2)cc1 8274455 OGDWYYHJCDCIEX-UHFFFAOYSA-N 374.249 2.008 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2cccnc2)C1 70037463 GILIYRGIWXEMCL-QZTJIDSGSA-N 367.449 2.250 0 40 FEAB Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(-n2cnnn2)c1C 72402518 JWILDZHEBLZYTA-UHFFFAOYSA-N 374.408 2.171 0 40 FEAB O=C(CCNC(=O)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 9513812 DFEBLZVOBWXACU-UHFFFAOYSA-N 365.433 2.471 0 40 FEAB CCC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 69882206 BDKVWFNHAFLKMP-OALUTQOASA-N 373.497 2.431 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)o1 8734464 RIOHYWRMLIAZNV-MRVPVSSYSA-N 370.818 2.238 0 40 FEAB O=S(=O)(c1cccc2nsnc12)N1CCN(CC2CCCC2)CC1 72282576 GTRHYUQDZPVRRV-UHFFFAOYSA-N 366.512 2.188 0 40 FEAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 9726254 BHWMQICERFGZBR-INIZCTEOSA-N 363.460 2.188 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)NCc1ccc(N)cc1Cl 95944685 HOSYUEOECJGTLS-UHFFFAOYSA-N 360.844 2.249 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3c3ncon3)cc2F)n1 95981438 VWEVSJNYBYAGOA-MRXNPFEDSA-N 371.372 2.225 0 40 FEAB Cc1cc(I)cn(Cc2nc(CC(C)C)no2)c1=O 95975431 VGJYMJLCOPDWJB-UHFFFAOYSA-N 373.194 2.391 0 40 FEAB CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NC[C@H]1CCCO1 89943614 TZQWWKATSZOTEO-JKSUJKDBSA-N 368.499 2.334 0 40 FEAB CCc1c(C)nc(N)n2c(SCC(=O)N(C)C3CCCCC3)nnc12 35315140 AKGKVVRTXYRSFW-UHFFFAOYSA-N 362.503 2.461 0 40 FEAB CN1CCC2(CC1)C[C@H](NC(=O)CCc1ccnn1C)c1ccccc1O2 129467517 FBHMOFHZRMGKFR-SFHVURJKSA-N 368.481 2.457 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCC2)cc1C 39986157 WCRMSIOHZZBPPE-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NC2CCCCC2)n1 72339970 AFUKRROHDJTEKY-AWEZNQCLSA-N 357.458 2.271 0 40 FEAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 225882397 YJYUZVUEJMXDQD-UHFFFAOYSA-N 359.455 2.412 0 40 FEAB O=C(O)c1ccc(CN2CCOC[C@]23CCOC3)c(Br)c1 570689692 RVXWINICQLXMGB-OAHLLOKOSA-N 356.216 2.139 0 40 FEAB O=C1NCCc2ccc(NS(=O)(=O)Cc3cc(F)ccc3F)cc21 75170557 VAUWDXOUNZMRIE-UHFFFAOYSA-N 352.362 2.193 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C 223928542 BUCHYBMKCQGQEA-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1cc(CN2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)no1 96263373 ZBAPUIOOQVKCPQ-UHFFFAOYSA-N 364.453 2.336 0 40 FEAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](N(C)Cc1ccccc1)CO2 96221051 ASGPTVVMYVMJLF-GOSISDBHSA-N 366.527 2.482 0 40 FEAB COC1([C@@H](C)NC(=O)c2cncc(I)c2)CCC1 332490099 SMVYSYGNGWMINT-SECBINFHSA-N 360.195 2.374 0 40 FEAB COCCn1c(C(=O)N2CCN(C)CC2)cc2c1c1ccccc1n2C 96146237 UKJWRKPTXBSRIV-UHFFFAOYSA-N 354.454 2.167 0 40 FEAB O=C(Nc1nc2n(n1)CCCC2)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 333746922 YXMCHMGLAMFKCT-IKGGRYGDSA-N 367.453 2.651 0 40 FEAB O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCSCC1 97087568 VHLKZAAXVLPBPJ-AWEZNQCLSA-N 364.858 2.392 0 40 FEAB Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257298194 RKOQKSFQUQDRJE-HYVNUMGLSA-N 355.442 2.363 0 40 FEAB Cn1ccnc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257303198 SGEIFKVZCKFJJE-PXNSSMCTSA-N 355.438 2.401 0 40 FEAB CCCn1nccc1-c1cc([C@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 257259906 LAPUGAICXKTQAK-AWEZNQCLSA-N 363.487 2.198 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 252016590 VZJJTAOJQZMFMF-OAHLLOKOSA-N 356.426 2.420 0 40 FEAB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)cnn1 630142802 ZVOJZWDQZJSLEJ-INIZCTEOSA-N 368.393 2.117 0 40 FEAB CCn1nc(C)c([C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)c1C 670416148 RNASZDKVMKQMCN-ZDUSSCGKSA-N 370.457 2.480 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(C)nn2)CC1 96119426 ABNFENBCIDLADW-UHFFFAOYSA-N 355.394 2.255 0 40 FEAB O=S(=O)(NC[C@H]1COc2ccccc2C1)c1cccc(-c2nnco2)c1 58166443 MYDUOOSGXZZLQT-ZDUSSCGKSA-N 371.418 2.266 0 40 FEAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cncc(Br)c1 78821283 WXYXJFGBTXMHSV-LBPRGKRZSA-N 368.275 2.075 0 40 FEAB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 8091030 AQVGURRQZGYAPP-GXDHUFHOSA-N 369.402 2.038 0 40 FEAB Cc1cc(C)n(CCC(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)n1 12089250 NTTVVZMRVBTXET-HXUWFJFHSA-N 367.453 2.064 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3c4ccccc4C[C@H]3C)n2)o1 12182886 DADZNLVSGMKOGB-GFCCVEGCSA-N 364.405 2.372 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1 12753951 SXYKOYAPXPJSFN-UHFFFAOYSA-N 369.830 2.188 0 40 FEAB Cn1ccnc1-c1cnc(NCCN2CCOCC2)nc1-c1cccs1 19291800 NYEQFQUOYGFLQT-UHFFFAOYSA-N 370.482 2.350 0 40 FEAB CC[C@@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19500592 CJMISAWAJDLQIT-HNNXBMFYSA-N 358.446 2.290 0 40 FEAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cn1 19525036 BAQQIWYCWJDAHM-ZDUSSCGKSA-N 359.455 2.348 0 40 FEAB COc1cccc(OC[C@H]2CCCN(CC(=O)Nc3cc(C)n(C)n3)C2)c1 19658765 YPSJSKXSNMWCEH-INIZCTEOSA-N 372.469 2.467 0 40 FEAB CCn1cncc1C(=O)N1CCC[C@H](c2ccc(C(=O)N(C)C)cn2)C1 19705910 PJIAIRGQROVDRI-HNNXBMFYSA-N 355.442 2.020 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCCN3C)n2CC1 19706324 OTXYBRPEOHJDFC-AWEZNQCLSA-N 372.473 2.163 0 40 FEAB OC[C@@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 13136661 JKCVMTYNARDGET-IYBDPMFKSA-N 358.390 2.146 0 40 FEAB endogenous,in-man Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 5611991 CZVWWVAWAGHSIJ-UHFFFAOYSA-N 358.463 2.450 0 40 FEAB Cc1nc(C)c(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)s1 10143506 HUNLBXPLAAPEET-UHFFFAOYSA-N 354.453 2.367 0 40 FEAB Cc1cccc(OC[C@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 23389388 VBJZNZMLPUTWEM-OAHLLOKOSA-N 353.422 2.103 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)c(O)c1 2034988 YLERYSDESKORQS-NSHDSACASA-N 358.350 2.344 0 40 FEAB CC(C)N1C[C@]2(CCN(C(=O)c3ccccc3Cl)C2)COCC1=O 2037985407 JCLXGTAUOKOXHI-GOSISDBHSA-N 350.846 2.440 0 40 FEAB Cc1nccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037988926 NOWJVUHPWUEFHC-HXUWFJFHSA-N 370.428 2.322 0 40 FEAB Cn1nccc1N1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 1565542354 RALVHUVZAXGDNN-UHFFFAOYSA-N 370.428 2.147 0 40 FEAB CC1CCC(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)CC1 1565544323 IHSVCEBWOARGBA-CSODTCANSA-N 351.535 2.066 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CC2CC2)C1 2055751309 ILCZVYDYXPYPCM-HXUWFJFHSA-N 359.470 2.022 0 40 FEAB CCOc1ccc(CN2CC[C@H](c3nn(CCN)c4nccnc34)C2)cc1 19533191 JWSGIYQZTXDSPN-INIZCTEOSA-N 366.469 2.173 0 40 FEAB O=C(CN1CCn2c(nnc2C(F)(F)F)C1)N1CCCc2ccccc21 150976665 CVRLMJUUVFVELC-UHFFFAOYSA-N 365.359 2.092 0 40 FEAB C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc2c(c1)OCCO2 40162222 LGVSLCFYQUCZLV-KPZWWZAWSA-N 353.374 2.417 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 31528179 UKFBQPOFADBYTQ-MRXNPFEDSA-N 373.478 2.334 0 40 FEAB CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)CC1 32431181 YEICERSAXFCPEB-UHFFFAOYSA-N 367.405 2.055 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2C)CC1 21332532 UFEWFGIKSCYIOT-OAHLLOKOSA-N 359.499 2.220 0 40 FEAB CCOc1ncccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 32796304 GHWWUJXOTUBWAE-UHFFFAOYSA-N 368.842 2.467 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102205316 SHFFDPCSBXJBFC-PREJHDKISA-N 374.462 2.433 0 40 FEAB CC(=O)N1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)Oc2ccccc21 32819030 IDUOSKUZUIWCTQ-ICSRJNTNSA-N 367.449 2.220 0 40 FEAB CC(C)[C@@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1cccs1 32857814 SAIYEXGBTKIZNB-VQIMIIECSA-N 371.506 2.474 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCc1cccc(C(=O)N2CCCC2)c1 32930524 VJHQMKQABMZZGQ-UHFFFAOYSA-N 354.454 2.132 0 40 FEAB CC(C)(CNC(=O)c1ccccc1NS(C)(=O)=O)N1CCCCC1 33028206 RVKJORYTSFXNBZ-UHFFFAOYSA-N 353.488 2.052 0 40 FEAB Cc1ccc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 37193340 QLOGEFLHXVEISH-SFHVURJKSA-N 352.438 2.371 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)CCC(=O)c3ccccc3)nc2s1 22039125 KIMBIYLKOFPNKN-UHFFFAOYSA-N 371.418 2.420 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103281000 XQLMSENCOOZJAW-BETUJISGSA-N 363.845 2.343 0 40 FEAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)N1CCO[C@H](c2ccccc2)C1 77671043 IESWIJYXEWFHAR-XLIONFOSSA-N 373.497 2.270 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H](c2ccccc2)O1 78520177 XZIPYOYPCNOKBP-SJKOYZFVSA-N 350.374 2.172 0 40 FEAB CCOC(=O)c1oc(NC(=O)CCc2nc(-c3ccco3)no2)nc1C 78815495 MWVIRTZOHTUEPH-UHFFFAOYSA-N 360.326 2.374 0 40 FEAB Cc1cc(N)nc(SCC(=O)NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 103417142 XOJDWBCLVJLPMZ-VOAKCMCISA-N 363.487 2.110 0 40 FEAB COc1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1F 103510055 WAZSZEAXCWBUJJ-GJZGRUSLSA-N 374.412 2.134 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 4569838 MZBFZKOBWAYKQA-UHFFFAOYSA-N 361.452 2.202 0 40 FEAB CC(C)(C)NC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583945 JRWPFRVKDPVMRV-UHFFFAOYSA-N 370.449 2.492 0 40 FEAB O=C(Cc1ccccc1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108531877 JVINXXINWUYDHZ-PMACEKPBSA-N 351.450 2.126 0 40 FEAB CCOC(=O)C1=C(CN(C)[C@@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C 24250449 UROXXZZWNLGITJ-MNOVXSKESA-N 367.396 2.476 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)o1 25014793 SXQOJRLOXUCXAD-UHFFFAOYSA-N 374.422 2.243 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@@H](C)O[C@H](C)C1 34887443 YEGGAIALAMTOAD-XHBSWPGZSA-N 354.397 2.355 0 40 FEAB CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 25373894 PZHXGOGRYVMOPZ-LJQANCHMSA-N 366.527 2.201 0 40 FEAB O=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 12599475 CTSTTYCRLWMNFJ-CABCVRRESA-N 363.435 2.241 0 40 FEAB O=S(=O)(NC1CCNCC1)c1ccc(Br)cc1Cl 34955863 CFYFYHGBZLMIGF-UHFFFAOYSA-N 353.669 2.133 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 57066378 ZHNOAYNVTCYJLB-INIZCTEOSA-N 363.477 2.079 0 40 FEAB COc1ccc2nnc(CCC(=O)N[C@H](C)CCc3ccccc3)n2n1 72404363 KLJIMFLLQXCESU-CQSZACIVSA-N 353.426 2.203 0 40 FEAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 57486142 DBOKIEMQMZCTHW-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNCc2cccc(OC)c2OC)ncn1 109069811 QIRQIBFGBJHDME-OAHLLOKOSA-N 357.458 2.294 0 40 FEAB CSc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 8942161 FSNPFPXRYUSZOZ-QGZVFWFLSA-N 359.407 2.407 0 40 FEAB CC(C)[C@@H](OC(=O)C1=C(Cl)CCCC1)C(=O)N1CCC(C(N)=O)CC1 95349060 YRYAYQDIIIMYRU-OAHLLOKOSA-N 370.877 2.345 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)CCc1nc(-c2ccsc2)no1 58098737 WOXBZPCRLHYRSF-UHFFFAOYSA-N 350.444 2.104 0 40 FEAB CCOC(=O)NCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 58264816 JMCILJVAGSMCGA-UHFFFAOYSA-N 365.499 2.353 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 58208759 STVZYLYZAPZPKJ-ZDUSSCGKSA-N 369.462 2.036 0 40 FEAB CNC(=O)C1(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CCCC1 58230948 SVKYQRCRZWMWKO-UHFFFAOYSA-N 365.861 2.025 0 40 FEAB O=C1CN(C(=O)CCNC(=O)c2ccc(F)cc2F)c2ccccc2N1 12795523 PWLNIBLIMDBNNC-UHFFFAOYSA-N 359.332 2.070 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)Cc2ccc(F)cc2)c1 12734257 RDBJBLVIUSPHJM-UHFFFAOYSA-N 351.399 2.362 0 40 FEAB CCc1[nH]c(C(=O)O[C@H](C)C(=O)NC2CCCC2)c(C)c1C(=O)OC 12774282 ZTDYZXKOVBAJIU-LLVKDONJSA-N 350.415 2.276 0 40 FEAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl 12749457 BEXPAEYMCBAAJM-NSHDSACASA-N 357.797 2.221 0 40 FEAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccc2[nH]c(=O)[nH]c2c1 36391159 BRMUZBVGEIMWGX-UHFFFAOYSA-N 363.377 2.401 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1 3321577 IGOOWMMPRFRAEY-SFHVURJKSA-N 365.433 2.164 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 27983219 IPFVCFMKMHSEAE-UHFFFAOYSA-N 370.449 2.409 0 40 FEAB CCn1nccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619093 QPVMJDXXHXLGKW-UHFFFAOYSA-N 365.372 2.077 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CCCCC2)c1C 3370631 NLTVEVMSKCYBLN-UHFFFAOYSA-N 350.415 2.414 0 40 FEAB CNS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 2438028 GCCCLPDJJZMBOH-UHFFFAOYSA-N 367.434 2.469 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 3459625 MCCUIFZZMXFWIQ-FQEVSTJZSA-N 355.438 2.460 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C[C@@H]1CCCO1 3605675 OLHQUXDSLULDGV-LBPRGKRZSA-N 361.471 2.213 0 40 FEAB O=C(CN1CCN(CC(F)(F)F)CC1)N[C@H]1CCCc2ccccc21 95469880 BSDFWCBNWFFVGP-INIZCTEOSA-N 355.404 2.360 0 40 FEAB Cc1ccc2nc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)sc2c1 8938830 YGBSZKVCYZNJKN-UHFFFAOYSA-N 366.402 2.247 0 40 FEAB O=C(O)C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 13256770 RLEYVDGDQOIBTQ-CQSZACIVSA-N 358.785 2.417 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 38833626 AUBZGWUNYRORKW-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB Nc1nc(=O)n(CC(=O)NCc2ccco2)c2sc3c(c12)CCCCC3 71283873 OTUZWUYIGPJKOU-UHFFFAOYSA-N 372.450 2.219 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2Oc3ccccc3N(C)C2=O)c1 49657567 ROVGHKCKVDZDKK-KRWDZBQOSA-N 353.378 2.398 0 40 FEAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1 13689241 KPLSCVYJOXNTAO-UHFFFAOYSA-N 363.823 2.488 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N3[C@@H](C)CCC[C@H]3C)n2)cc1OC 5038663 GSNUUYNTCOJQKB-BETUJISGSA-N 359.430 2.147 0 40 FEAB Cc1cc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 9322134 VPZLBNHQYDUAFG-QWHCGFSZSA-N 364.492 2.327 0 40 FEAB COCCNC(=O)NC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 15105697 ZHHUTJYIAATGGJ-KRWDZBQOSA-N 363.458 2.085 0 40 FEAB Cc1cc(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)nc(N)n1 67673276 XWISHXXIGLOQDH-UHFFFAOYSA-N 351.366 2.314 0 40 FEAB O=C1CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)c2ccccc2N1 15912406 WGQXCNZYUYVCCY-UHFFFAOYSA-N 357.797 2.445 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)c1cc(Cl)c2c(c1)OCO2 16684849 WKDZMUXVAIPGBF-UHFFFAOYSA-N 350.758 2.050 0 40 FEAB CCc1cccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 16960813 LJJKYXFGJIMMEW-UHFFFAOYSA-N 358.394 2.383 0 40 FEAB COc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1OC 8394826 WYGAGYKMAWIEEP-UHFFFAOYSA-N 371.441 2.364 0 40 FEAB Cc1cc(Br)ncc1NC(=O)C1CCN(C(=O)N(C)C)CC1 72306572 KDDLVUCTGRRVHC-UHFFFAOYSA-N 369.263 2.485 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cnc3sccn3c2=O)c1 28233310 BMPIFYYHTCMULU-SNVBAGLBSA-N 359.407 2.264 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1CCCO 8573132 ZVQCPFNDHGNGSN-IBGZPJMESA-N 365.389 2.416 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc3ccccn3c2=O)c1 9724952 REJRZGFNWKEBBI-INIZCTEOSA-N 354.410 2.308 0 40 FEAB COC(=O)c1c(SC)nn(-c2cc(Nc3ccccc3)ncn2)c1N 8715294 OSORUBIWNJPUMW-UHFFFAOYSA-N 356.411 2.497 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)ccc1C 408598234 YHKVBNMHGQUGKQ-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nncs1 1548347884 CIBDUHKZSCWIHK-UHFFFAOYSA-N 358.423 2.072 0 40 FEAB Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 548833923 DPKOZLRDWZKBGQ-CYBMUJFWSA-N 352.442 2.066 0 40 FEAB CN1C[C@@H](NC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CC1=O 518760965 UEUJWVZGYOCNBP-ZDUSSCGKSA-N 362.499 2.142 0 40 FEAB COCCOc1cc(NC(=O)c2ccc(Cn3ccnn3)o2)ccc1OC 1525437884 QUEHYGUMSPAWLA-UHFFFAOYSA-N 372.381 2.206 0 40 FEAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 3849107 XKUKRFJMBGKQEU-WMLDXEAASA-N 352.321 2.261 0 40 FEAB biogenic C[C@@H](O)CCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33363615 WTJYDBMHYPQFNJ-YEXDXDAVSA-N 368.470 2.222 0 40 FEAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc1 73391344 MFAQRALUOKQDAT-KNMUDHKVSA-N 357.406 2.492 0 40 FEAB COc1cc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc(OC)c1OC 35981447 VXPVQKRQBYPHCH-UHFFFAOYSA-N 359.382 2.468 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CC(=O)Oc2ccccc21 71287152 NPCULMGLTRKNPG-UHFFFAOYSA-N 369.377 2.018 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 223696064 LYXXOVREFLBQHB-AWEZNQCLSA-N 366.483 2.466 0 40 FEAB CCOc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccccc2)cc1 225164068 PRWQVRUKWJIRLK-QGZVFWFLSA-N 363.435 2.402 0 40 FEAB COc1cccc2cc(C(=O)Nc3cc(N4CCOCC4)ncn3)oc12 75166254 FPOPOYQAWPUQKU-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB O=C(Cn1cnc2ccccc21)NCc1ccnc(N2CCCCC2)n1 224208892 DKVFOVYXJOUBNR-UHFFFAOYSA-N 350.426 2.133 0 40 FEAB CCn1cc(C2CCN(C(=O)CCc3c(C)nc(C)nc3O)CC2)cn1 329672203 NKODVOUXBFCTLD-UHFFFAOYSA-N 357.458 2.354 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)NC1CCCCC1)CCC2 96259405 BJGSBHUDKUVNRR-UHFFFAOYSA-N 359.474 2.254 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CCN2CCCCC2)C1 248092289 CKLIPOPMNODVGQ-KRWDZBQOSA-N 355.486 2.370 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242722741 XTHXNLHYCFLGNL-INMHGKMJSA-N 365.838 2.309 0 40 FEAB O=C(COCC[C@H]1CCOC2(C1)CN(Cc1ccccn1)C2)N1CCCC1 247741146 OFDLFOIIHKOWOL-SFHVURJKSA-N 373.497 2.092 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccccc2F)CC1 257327493 XBOANEVGJNIEPY-UHFFFAOYSA-N 356.401 2.272 0 40 FEAB COCC(=O)N1CCC(Cc2cncc(-c3ccc(C(=O)O)cc3)n2)CC1 257328349 XFFWMPRYFNMSIT-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4cc(N)cc(C)n4)C3)cn2c1 257335561 YKRWLJHJIWKHMD-QGZVFWFLSA-N 351.410 2.142 0 40 FEAB CC(=O)NCCOc1ccc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1 91724971 BSVUPZWEWPVZTE-OAQYLSRUSA-N 374.481 2.216 0 40 FEAB CCCn1nc(C)c(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)c1C 1775957342 OVBUQLBFWWAWCU-WBVHZDCISA-N 358.490 2.410 0 40 FEAB O=C(O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2nc(O)ccc2c1 292341822 DJAWYKPTVHDISC-HIFRSBDPSA-N 364.423 2.252 0 40 FEAB COc1c(C)cnc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)c1C 65402835 MTGWVEYCKKEBSJ-UHFFFAOYSA-N 370.453 2.336 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)C2)cc1C(N)=O 824704435 KNKSKVDHNWMHMQ-NSHDSACASA-N 366.464 2.034 0 40 FEAB NC(=O)Cc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 47887391 FJDNRIDAHFNKFJ-UHFFFAOYSA-N 373.384 2.084 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615118421 CDNQASKQLWFKJT-NRFANRHFSA-N 365.433 2.428 0 40 FEAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccccn1 5799535 BFTMBQLLOYMAQH-LBPRGKRZSA-N 358.423 2.281 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccsc2)c2ccccn2)n1 12229213 MIGBMAOKIIKFQY-INIZCTEOSA-N 354.435 2.108 0 40 FEAB CN(C)S(=O)(=O)c1ccc(SCc2noc(C(C)(C)C)n2)nc1 12537545 HMXXVDHVRUPSDR-UHFFFAOYSA-N 356.473 2.305 0 40 FEAB O=C(C[C@H]1CCCCO1)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268270 ZTFZAXJTHMTIQQ-QGZVFWFLSA-N 365.437 2.409 0 40 FEAB CCOCCCNC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716542 CZINESNERWNLLD-KRWDZBQOSA-N 370.515 2.391 0 40 FEAB COc1cccc(OC[C@H]2CCCN(CC(=O)Nc3ccn(C)n3)C2)c1 19658894 HOSGIAHWDWMWRC-HNNXBMFYSA-N 358.442 2.158 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19755477 QSAQXBWTFFGPOJ-MRXNPFEDSA-N 372.400 2.486 0 40 FEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCCC1 19935392 GSNYNGKGQGURFD-UHFFFAOYSA-N 372.874 2.126 0 40 FEAB CCOC(=O)c1c(NC(=O)CN2CCC(O)CC2)sc(C)c1CC 16338427 XPLBTWFTUFCBEQ-UHFFFAOYSA-N 354.472 2.191 0 40 FEAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 35528749 WHQMDRAJNPJZLZ-UHFFFAOYSA-N 359.455 2.117 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CCCCCC1 3600595 ATEDCZABWWQVRO-HXUWFJFHSA-N 355.438 2.173 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 5170048 HXPFXYJNELREJH-GFCCVEGCSA-N 363.373 2.047 0 40 FEAB Cc1nnc2c(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nccn12 1888885503 PAZYQQUMJBWTRR-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)no1 1888888242 UBLWCTHTGJDHEV-KBPBESRZSA-N 351.410 2.078 0 40 FEAB CCC(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 14158634 OFZJJYYPYPAYGH-CQSZACIVSA-N 368.499 2.401 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(C(=O)C4CCC4)CC3)cnc2c1 1848593205 MWFDTQKAAWSKMW-UHFFFAOYSA-N 355.438 2.444 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2cccc(F)c2)cc1 21484036 MBZZDPBMDMBEND-UHFFFAOYSA-N 351.399 2.410 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)CN(C)C(C)C)C3)C2=O)n1 1614936190 WBZLAFRPALNADU-NRFANRHFSA-N 372.513 2.071 0 40 FEAB Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1565556099 WYSBAIIVRCJNTF-ZWKOTPCHSA-N 361.449 2.384 0 40 FEAB Cc1nc(SCc2cccc(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 4138853 XIYUPSIFPRAFHY-UHFFFAOYSA-N 362.842 2.281 0 40 FEAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(F)c1 4852561 CISGRICWCXZCQF-UHFFFAOYSA-N 369.356 2.071 0 40 FEAB COc1cccc(N2C[C@H](NS(=O)(=O)c3ccc(C)cc3)CC2=O)c1 5221957 QYAFJPGROLPVCM-CQSZACIVSA-N 360.435 2.087 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19133077 HTLAENYFZFEDTI-GOSISDBHSA-N 366.465 2.346 0 40 FEAB O=C(CCc1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1 19370860 NSCYTOMWOVHPDT-UHFFFAOYSA-N 350.466 2.461 0 40 FEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cnn(CC(F)(F)F)c3)C2)o1 96101444 BNGFRWLGMWBOQA-NSHDSACASA-N 370.331 2.016 0 40 FEAB Cc1ccc2c(CC(=O)N3CCCN(CC(=O)N(C)C)CC3)coc2c1C 31215504 JSBQJRJDXYXFIF-UHFFFAOYSA-N 371.481 2.215 0 40 FEAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 101657803 UMDQKMSWEDOFHB-BHYGNILZSA-N 355.438 2.493 0 40 FEAB CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 32770854 PJLNRQSBRCAJIV-MRXNPFEDSA-N 356.451 2.217 0 40 FEAB O=S(=O)(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 1362867 NPWQSCGMLZLACR-UHFFFAOYSA-N 372.512 2.082 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@H](CC(=O)NCc1ccccc1)C(=O)O 1759621 MYTZAPGRBSAWPO-GOSISDBHSA-N 354.406 2.195 0 40 FEAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(F)cc1 4351986 PBDNZVQOLKFDPJ-UHFFFAOYSA-N 370.336 2.275 0 40 FEAB COc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 4888720 JNBIKHWDUCEOQN-UHFFFAOYSA-N 374.462 2.278 0 40 FEAB Cc1ccc(-n2nnnc2NCc2ccc(CS(C)(=O)=O)cc2)cc1 54123719 WASGMWONHZGJLE-UHFFFAOYSA-N 357.439 2.127 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)no1 8433854 CXOSWVGUEFQZNJ-CQSZACIVSA-N 371.393 2.135 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 20150505 JMAYTTKKIKIUGQ-AHXJXLJNSA-N 364.467 2.116 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C(N)=O)s2)cc1OC 57050614 QDAHIXOQVCYBHT-UHFFFAOYSA-N 363.439 2.129 0 40 FEAB O=C(NCC(=O)N1CCCc2ccccc21)[C@H]1CC(c2ccccc2)=NO1 57271488 TUBATOVOUQPJLH-LJQANCHMSA-N 363.417 2.275 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c(C)c1 3271162 GAUDKEQBCZOWCQ-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccccc1NC(=O)C[C@@H]1C(=O)OCCN1Cc1ccccc1 54672211 HFQKTTZDAWPMHX-QGZVFWFLSA-N 354.406 2.451 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)O[C@H](C)C1 26991344 WVOSGMMLLMNESX-IJEWVQPXSA-N 350.484 2.174 0 40 FEAB Cc1nnsc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 27663027 CSUSYOKXSIJDPA-UHFFFAOYSA-N 354.438 2.112 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2C(N)=O)c1 58172094 XAIISOAMTAISJD-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)OC[C@@H]3CCCCN32)cc1Cl 58160200 IYARUZFATOFYOK-GXTWGEPZSA-N 352.818 2.457 0 40 FEAB COCCOc1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cn1 58139691 MKDPGKIPGMRTLR-UHFFFAOYSA-N 371.441 2.424 0 40 FEAB CO[C@@H](C(=O)N1[C@@H]2CC[C@@H]1Cc1c(O)nc(C)nc1C2)c1ccccc1 100219922 AGDHTKBTRWCSSS-IIDMSEBBSA-N 353.422 2.337 0 40 FEAB CN(Cc1cscn1)C(=O)NCCN1CCN(Cc2ccccc2)CC1 58214773 FMUJMLDQWZNKRY-UHFFFAOYSA-N 373.526 2.102 0 40 FEAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 58321249 QOAIPPXMXNYXHR-FQEVSTJZSA-N 369.421 2.484 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1C 2264104 QDWUKDCFQVUYBU-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccc(C(=O)COC(=O)c2cnn(C)c2)cc1Br 12851873 OBRLNYRRBRVKRZ-UHFFFAOYSA-N 353.172 2.231 0 40 FEAB COC(=O)c1cccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c1 12852666 VGPWJCHLYMZIQK-UHFFFAOYSA-N 373.390 2.380 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 36768301 ABICLQZPJDKMJS-UHFFFAOYSA-N 361.417 2.381 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)no1 3462566 WOYYGDNMJQLNDD-MRXNPFEDSA-N 362.773 2.042 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 3445624 OLYFRFZFCKLJEY-UHFFFAOYSA-N 360.435 2.179 0 40 FEAB Cc1ccccc1-n1ncc(C(=O)N2CCC(C(N)=O)CC2)c1C1CC1 29753310 SQJGIQHBKRMCRG-UHFFFAOYSA-N 352.438 2.396 0 40 FEAB CCC[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 8938773 QIUNKYNBHSKMQS-MRXNPFEDSA-N 351.406 2.347 0 40 FEAB CN(CC(=O)N1CCCC1)Cc1cc2c(cc1Br)OCCO2 13010808 PSDJLOQQRUIMSS-UHFFFAOYSA-N 369.259 2.275 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Oc1ccc(OCC2CC2)cc1 63623573 IPDUXBGXUSXLHI-UHFFFAOYSA-N 358.394 2.245 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 83984841 GJTVTVZKYWINOB-QGZVFWFLSA-N 370.474 2.412 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c(OC)c1 13693102 ZFAUDLXNUURVGI-OAHLLOKOSA-N 366.377 2.229 0 40 FEAB CCOC(=O)Cc1csc(SCC(=O)NC(=O)NC2CCCC2)n1 5014636 JKUHUORCRKAHAP-UHFFFAOYSA-N 371.484 2.109 0 40 FEAB COCCn1c(C)cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1C 5021233 UPLHDLAZWYGHMG-IBGZPJMESA-N 373.405 2.317 0 40 FEAB Cn1cc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cn1 306129217 HXTTXVBFIALTGW-VQTJNVASSA-N 361.449 2.303 0 40 FEAB C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14139081 HZVDPIQLBZMDNK-GXTWGEPZSA-N 361.467 2.433 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 14139507 RSVOGLYOUCOYOZ-IBGZPJMESA-N 355.369 2.256 0 40 FEAB C[C@H]1CN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20680443 HQJPAAJTTQBNHD-QWZWMPBUSA-N 363.502 2.279 0 40 FEAB COC(=O)C1=NOC2(CCN(C(=O)CNc3c(C)cccc3C)CC2)C1 96011936 ZTVOLLLBAIREPH-UHFFFAOYSA-N 359.426 2.026 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O 6678951 BPBLDQFIINYICA-UHFFFAOYSA-N 361.398 2.331 0 40 FEAB Nc1nc(SCc2nnc(-c3ccccc3Br)o2)n[nH]1 6606313 VJGYVXSUJMCFMO-UHFFFAOYSA-N 353.205 2.492 0 40 FEAB CCOc1ccccc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649305 HKRJVNBEDRMKSG-UHFFFAOYSA-N 367.361 2.117 0 40 FEAB COCCN(Cc1cccs1)C(=O)COC(=O)c1n[nH]c2ccccc12 9318876 HWFQRCDMDFOFBM-UHFFFAOYSA-N 373.434 2.456 0 40 FEAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7057768 DUQZMHPTOFUXHD-ZDUSSCGKSA-N 365.389 2.093 0 40 FEAB Cn1cnnc1SCC(=O)c1ccc(I)cc1 7171377 AJRABCXJFCHVDN-UHFFFAOYSA-N 359.192 2.395 0 40 FEAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3nnn[nH]3)c(C)c12 9419921 PRTLFLXIDMBXLS-UHFFFAOYSA-N 353.338 2.159 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N(Cc1ccccc1F)C1CC1 7763945 ARCXEEYMLGLGPF-UHFFFAOYSA-N 352.369 2.122 0 40 FEAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)[C@@H]1COc2ccccc2O1 8282234 CUDNPEUFJYEXNT-SFHVURJKSA-N 366.373 2.006 0 40 FEAB CCOC(=O)C[C@H](C1=Cc2ccccc2OC1)c1oc(CO)cc(=O)c1O 72324419 ZAKZUVXXZZIYHP-OAHLLOKOSA-N 372.373 2.351 0 40 FEAB biogenic O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(C1CC1)C1CC1 95348757 YNUCEDRKEOCVRJ-IBGZPJMESA-N 373.478 2.136 0 40 FEAB COC(=O)[C@H](CC(C)C)OC(=O)c1ccc(N2CCN(C)CC2)c(F)c1 95456270 XZCMZKXUSQLYLT-KRWDZBQOSA-N 366.433 2.322 0 40 FEAB Cc1cc(Br)ccc1SCC(=O)N1CCOC[C@@H]1CCO 95451146 DFRGKRIRZXGZEP-ZDUSSCGKSA-N 374.300 2.459 0 40 FEAB c1ccc(-c2cc(N3CCN([C@H]4CCSC4)CC3)n3ncnc3n2)cc1 75110528 MYNVDGABUQYTIN-INIZCTEOSA-N 366.494 2.419 0 40 FEAB O=C(Nc1cccc2c1CCO2)c1ccc(C(=O)N2CCOCC2)cc1 529227129 LKEPYGRKOHBDFM-UHFFFAOYSA-N 352.390 2.346 0 40 FEAB CN(C)c1ccncc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 183519857 LLNJRRRYLHXALE-UHFFFAOYSA-N 374.391 2.024 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)c1 44901291 UURGZRGMLCCRKB-VYDXJSESSA-N 365.433 2.247 0 40 FEAB Cc1ccccc1CS(=O)(=O)NCc1cccc(CN2CCOCC2)c1 224729998 QGVCMOZFWVENSJ-UHFFFAOYSA-N 374.506 2.447 0 40 FEAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-n1cnnc1 222729254 MXZBAWOIGXHADD-HOTGVXAUSA-N 353.455 2.005 0 40 FEAB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 225225592 HRPPRMOVWJEWBT-BBRMVZONSA-N 356.488 2.401 0 40 FEAB COc1cccc(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(=O)O)c1 225317283 IBORDJKGHWJWHW-UHFFFAOYSA-N 373.405 2.482 0 40 FEAB Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)ccc1Br 225787731 ABKXHKWZXOKMGN-RNJOBUHISA-N 352.184 2.350 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(F)cc1 226388876 SKTLOHGDCDQMBF-OBRKIGFESA-N 354.381 2.189 0 40 FEAB CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 96040069 USAKOEDSHJJLBU-DLBZAZTESA-N 354.472 2.071 0 40 FEAB O=C1C[C@H](C(=O)Nc2cccc3c2CCNC3=O)c2ccc(F)cc2N1 1597347892 NAJIQXKUTVCOJE-AWEZNQCLSA-N 353.353 2.176 0 40 FEAB Cc1ccnc(O)c1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 583622077 KGLAQNRLNBFXED-AWEZNQCLSA-N 360.414 2.500 0 40 FEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccn1 24680185 QWPWYTXZBRBLAE-QWHCGFSZSA-N 353.378 2.041 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)c1 85346438 HOJLUPIXOGPSAW-UHFFFAOYSA-N 362.359 2.349 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(C(=O)Cc2cccs2)CC1 257301716 RZPSEOQTULFOEB-UHFFFAOYSA-N 358.467 2.123 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)[C@H]1O 257269394 MPUHEPQAUXRGHG-SFHLNBCPSA-N 353.466 2.446 0 40 FEAB C[C@@H]1CN(c2ccnc(C(=O)N[C@@H](C(=O)O)c3ccccc3)c2)C[C@@H](C)O1 263580772 WHMSZPHZGGBLEX-HBUWYVDXSA-N 369.421 2.251 0 40 FEAB CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(nc1O)CCCC2 276841596 YUEUKWWZHNCDOB-KBXCAEBGSA-N 370.453 2.390 0 40 FEAB CO[C@@H]1CN(C(=O)Cc2coc3c(C)c(C)ccc23)C[C@H]1c1cnn[nH]1 622170792 LWMSZECZBCZIGT-DOTOQJQBSA-N 354.410 2.351 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 643995163 ZXAKAIZXFATZLQ-HXUWFJFHSA-N 354.406 2.321 0 40 FEAB Cc1nc([C@@H]2CC[C@H](CNC(=O)Cc3cccc(Cl)c3F)O2)n[nH]1 1775959631 LUGUATJGVXSYBN-YPMHNXCESA-N 352.797 2.485 0 40 FEAB O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829692 FYTCXZOEPWFHFE-NSHDSACASA-N 356.323 2.401 0 40 FEAB O=S(=O)(NCC[C@H](O)c1ccoc1)c1ccccc1Br 96097329 WCCBRDYGDTTXAV-LBPRGKRZSA-N 360.229 2.444 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365569 MUXQVZKTLDWTFE-AWEZNQCLSA-N 373.459 2.380 0 40 FEAB CO[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1Cc1ccccc1F 585277445 USRKGSJAQNTCBE-ROUUACIJSA-N 358.413 2.387 0 40 FEAB COc1cncc(S(=O)(=O)N2CCN(C)c3cc(Cl)ccc32)c1 585123479 IKBSEWKGFBQLIN-UHFFFAOYSA-N 353.831 2.389 0 40 FEAB O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1nccnc1Nc1ncccn1 585292330 HGBRRNMYOIQXEQ-MOEXGYKKSA-N 373.420 2.782 0 40 FEAB CCc1ncnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1F 1148894212 VAKLSUSEXYAKKA-UHFFFAOYSA-N 356.327 2.314 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C/C=C/c2ccc(F)cc2)C1 685942670 LHBHJRDJTZLGNU-BOUVFEJYSA-N 358.417 2.028 0 40 FEAB CC(C)n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2cccnc21 12220592 SHSGRRBYRZSVCM-UHFFFAOYSA-N 354.366 2.146 0 40 FEAB CCN1CCc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C1 15880184 IXIFTDOARZGZOU-UHFFFAOYSA-N 365.480 2.177 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CC34CCC4)ncc2C1 19018454 FYRGWTCRPJSEAY-DOTOQJQBSA-N 354.454 2.235 0 40 FEAB NCCn1nc([C@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 19293385 FNNYQDKGYILLLO-AWEZNQCLSA-N 356.861 2.428 0 40 FEAB O=C(c1ccccn1)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19399925 MXYJGLVDVOSSTD-UHFFFAOYSA-N 361.405 2.247 0 40 FEAB C[C@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@H](C)O1 19497701 ZVFPYESHZVWJOM-IRXDYDNUSA-N 359.518 2.150 0 40 FEAB CCOc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)on1 19521574 HWBLUFNKVHKMEZ-OAHLLOKOSA-N 374.441 2.324 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 19551090 PTNILEQSECJZRU-QGZVFWFLSA-N 368.437 2.117 0 40 FEAB Fc1ccc(OC2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1 19657883 OTAGTLAXZNAZDO-UHFFFAOYSA-N 372.444 2.496 0 40 FEAB Cc1ncsc1C(=O)N(C)Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1 19709990 QZCFAEOHVFPSLC-CYBMUJFWSA-N 374.514 2.047 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)N(C[C@@H](C)O)c1ccccc1 552394240 ISBLEHACTXLJLB-SNVBAGLBSA-N 355.437 2.331 0 40 FEAB Cc1nc(N2CCN(c3ncnc4c3cnn4C)CC2)cc(C(C)(C)C)n1 1888869419 LDYLXPDXIJUQRR-UHFFFAOYSA-N 366.473 2.086 0 40 FEAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C(N)=O 15686100 NDJAXNDFDJJFIL-SNVBAGLBSA-N 371.418 2.441 0 40 FEAB CN(C)c1nc(N)nc(CSCc2cc(Cl)cc3c2OCOC3)n1 22018497 JVCLTKBUEDOMIU-UHFFFAOYSA-N 367.862 2.473 0 40 FEAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC(Oc2cccnc2)C1 238858815 KHJZMBDIUULLGS-UHFFFAOYSA-N 364.361 2.104 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)Cn3ccnc3C)CC2)cc1C 2037913201 YVSODYOYXMEUSX-UHFFFAOYSA-N 357.454 2.241 0 40 FEAB CCN1CCN(C[C@H](O)COCCOc2ccccc2C(C)C)CC1 22466305 DMTWLQAUQBKRAY-SFHVURJKSA-N 350.503 2.204 0 40 FEAB Cc1cc(C)n(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)n1 12158485 RNOXNAHCEULBPT-SJORKVTESA-N 359.401 2.356 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1F 13849725 ZDAXMSGYLMAGDT-UHFFFAOYSA-N 352.387 2.053 0 40 FEAB COC(=O)c1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2)cc1 31035106 DFCODCSFGRIBOG-UHFFFAOYSA-N 358.394 2.490 0 40 FEAB COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1C 32906687 IHGRRCKLQNQWGC-INIZCTEOSA-N 363.410 2.423 0 40 FEAB S=C(c1cn(-c2ccc(Br)cc2)nn1)N1CCOCC1 1417839 CWXLHHCHVKEZOG-UHFFFAOYSA-N 353.245 2.038 0 40 FEAB COCCOc1ccc(NC(=O)NC[C@@H](C(=O)OC)c2ccccc2)cn1 78936698 UBZVIUVRCMGKAC-MRXNPFEDSA-N 373.409 2.185 0 40 FEAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3 4849530 BCNLRQUIWIUABQ-UHFFFAOYSA-N 360.435 2.477 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@H]21 53760583 GGJOWSXEDODYAJ-GOEBONIOSA-N 355.438 2.261 0 40 FEAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 6511094 IDGOHOMPHCKRLM-UHFFFAOYSA-N 369.512 2.473 0 40 FEAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccc(OC(F)(F)F)cc1 61719687 XRBOLBRGLBVPLW-JTQLQIEISA-N 359.329 2.227 0 40 FEAB CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 8297982 FNUMJEPNCUJEEA-NXHRZFHOSA-N 371.460 2.319 0 40 FEAB biogenic,in-vitro O=c1c(=O)n(OCc2ccccc2)c2ccccc2n1OCc1ccccc1 985021 URTKPDJXNMMJLB-UHFFFAOYSA-N 374.396 2.421 0 40 FEAB CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186644 COZUFLOYBXVAFN-LZJOCLMNSA-N 373.449 2.495 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 25145263 RCSRHRJWAKMVGF-NEPJUHHUSA-N 364.389 2.446 0 40 FEAB CCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O 3214707 BQBIOKFFEHWIMM-UHFFFAOYSA-N 371.503 2.292 0 40 FEAB COc1ccccc1N1CCN(CC(=O)NCCOc2ccccc2)CC1 57364809 QORXKRGZLKNZSW-UHFFFAOYSA-N 369.465 2.012 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)n12 57731000 IPLUBVYIBHYXGR-KBPBESRZSA-N 367.453 2.396 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12777825 NKCAVMMYCONXPB-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 107191309 BIPMBLPHQCUTQH-UHFFFAOYSA-N 350.422 2.065 0 40 FEAB COc1ccc(NC(=O)COc2ccc(C(=O)N(C)OC)cc2OC)cc1 12772170 RNNAYPQGGYRNKF-UHFFFAOYSA-N 374.393 2.355 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccccc1 3388898 YJMMOVAJPXMEEX-UHFFFAOYSA-N 357.362 2.424 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N(C)C)nc2)cs1 48355009 OKRSBZVXINQHMX-UHFFFAOYSA-N 361.471 2.058 0 40 FEAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1 27913925 POSWISACTOKOKR-RBUKOAKNSA-N 363.421 2.057 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 28936953 AKWWTOCUQRGDJB-IYBDPMFKSA-N 373.497 2.431 0 40 FEAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H](Cc1ccccc1)n1cnnn1 12982696 QPDJOIRUEZHJNS-MRXNPFEDSA-N 373.363 2.375 0 40 FEAB O=C(O)COc1cc(OCC(=O)O)c2c(=O)cc(-c3ccccc3)oc2c1 4073414 IGCSSLDDCHLXGL-UHFFFAOYSA-N 370.313 2.387 0 40 FEAB in-man Cc1cc(NC(=O)CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)no1 9058035 UMYKBQWLIYJWME-IBGZPJMESA-N 370.409 2.415 0 40 FEAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCC1(N(C)C)CCCC1 49550453 PDKCMMHDMKJVPU-UHFFFAOYSA-N 363.506 2.085 0 40 FEAB CCN(C(=O)CSc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 5034972 SILWSGUBIBSQCH-NSHDSACASA-N 370.521 2.424 0 40 FEAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCc1ccccc1 4264140 GEJIUXKBSZUYDM-UHFFFAOYSA-N 353.447 2.180 0 40 FEAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 4335283 RTZBSGKXRRUKJJ-ZJUUUORDSA-N 352.359 2.239 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 6560785 DQWCUASUEKKZLF-NSHDSACASA-N 362.407 2.105 0 40 FEAB CCCCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(=O)NC)cc1 66950951 JFLPQQXIZFFHBU-CQSZACIVSA-N 368.499 2.046 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)N(CCCc1ccccc1)CCN(C)C 66946110 OENVBIISIGJWAF-KRWDZBQOSA-N 371.481 2.421 0 40 FEAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1 9446288 GDXBWGPRZWTWDT-UHFFFAOYSA-N 359.451 2.429 0 40 FEAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1nc2ccccc2s1 7689003 BDSVTEOTKRWJLM-UHFFFAOYSA-N 354.435 2.466 0 40 FEAB CCCn1c(C)cc(C(=O)COn2nnc3ccc(C(=O)OC)cc32)c1C 7813880 CMKHZMVETWPSOM-UHFFFAOYSA-N 370.409 2.358 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 16694605 BVCVUSDHOWXBQC-PBHICJAKSA-N 363.417 2.127 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@@H](CNC(=O)N3CCCC3)CO2)C1 306124535 BTDDQGLAUVGZMX-HNNXBMFYSA-N 364.515 2.238 0 40 FEAB CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318575 VZEJJTRZFYQXHC-OAHLLOKOSA-N 361.442 2.077 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N2CCCc3cc(OC)ccc32)CC1 21975814 XNNFIEURKHPREN-UHFFFAOYSA-N 366.483 2.036 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)N(Cc1ccsc1)C1CC1 71835071 QWCZEUDJHJFLPE-UHFFFAOYSA-N 355.419 2.355 0 40 FEAB COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 8565607 XTGHZQKQVWVUAO-LJQANCHMSA-N 365.389 2.328 0 40 FEAB Cc1ccc(-c2nc3ncc4c(=O)n(CCc5c[nH]cn5)ccc4n3n2)cc1 20676928 QLRQXXMBGZBYGV-UHFFFAOYSA-N 371.404 2.380 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@H](C[C@H](C)O)c2ccccc2)nc1C 95453327 WVZLQPFJYQGHRG-BBRMVZONSA-N 351.472 2.044 0 40 FEAB CC(C)N(C)CCCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 95405503 LMYUNWIWWZCBBP-INIZCTEOSA-N 352.523 2.197 0 40 FEAB CCOC(=O)[C@@H]1CS[C@@H](c2cc(Br)c(O)c(OC)c2)N1 98072852 FSYZTUGKSYJGJG-CABZTGNLSA-N 362.245 2.430 0 40 FEAB COc1ccc([C@@H](NC(=O)Cn2cnc3ncccc3c2=O)C2CC2)cc1 73697924 CVALMRSUCRANOQ-SFHVURJKSA-N 364.405 2.068 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(-c3nc(-c4ccccc4OC)no3)ccc21 74118074 BPQCVZVIIMRJDZ-UHFFFAOYSA-N 364.361 2.435 0 40 FEAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)c1 408549537 ZQJWYLVWVAOWOP-INIZCTEOSA-N 370.515 2.389 0 40 FEAB Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)c1 306130380 JEMKZORWHKHOFQ-CGTJXYLNSA-N 373.478 2.138 0 40 FEAB O=C1CN(S(=O)(=O)CCc2ccccc2)C[C@H]2c3ccccc3CCN12 36071126 UTRHRZFVVMKGQT-IBGZPJMESA-N 370.474 2.001 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980208 RVCKLFONACZHHX-AWEZNQCLSA-N 352.818 2.078 0 40 FEAB Cc1cccc(Nc2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)n1 72362461 WUVQICHXVIWPFC-HNNXBMFYSA-N 354.458 2.191 0 40 FEAB CN1CCN(S(=O)(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)CC1 31947019 BYBKIQDJWSSESE-KRWDZBQOSA-N 352.500 2.000 0 40 FEAB Cc1ccc2c(c1)CN(C[C@H](O)COc1ccc(C(=O)O)cc1)CCO2 567488241 KNDGJUJLVGYKQN-KRWDZBQOSA-N 357.406 2.328 0 40 FEAB Cc1csc2c(N3CCCN(S(=O)(=O)C4CC4)CC3)ncnc12 374630678 ZHMJJJQAAPLFEK-UHFFFAOYSA-N 352.485 2.004 0 40 FEAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2S(C)(=O)=O)n1 72359915 FPZKLVVXXAWXLA-GFCCVEGCSA-N 353.473 2.390 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C 73743125 TVWLLMMQJYCOII-ZDUSSCGKSA-N 368.275 2.297 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(F)cc2)ccc1C 225192259 PISAUHVJOIIACK-UHFFFAOYSA-N 367.398 2.278 0 40 FEAB COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1OC 225045891 UMWXLCSRLVRZTJ-UHFFFAOYSA-N 370.405 2.429 0 40 FEAB Cc1ccccc1OCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 223860929 SNPMIRVNGJXWOM-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB Cc1cc(-c2noc(CNC(=O)CCc3nc4ccccc4[nH]3)n2)no1 225813803 QBZIZQWPANBUGH-UHFFFAOYSA-N 352.354 2.158 0 40 FEAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CC2)n1 226002690 FIWGXEXXEMXYMY-UHFFFAOYSA-N 355.467 2.497 0 40 FEAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 40072724 HVUVDUJGUWEHAO-MRXNPFEDSA-N 350.426 2.080 0 40 FEAB CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 225558908 VSFICPQUHFOADZ-UHFFFAOYSA-N 368.499 2.118 0 40 FEAB COCCN1C(=O)CC[C@]12CCCN(C(=O)NCc1ccccc1)CC2 96217776 RVYAOABWYUPBAR-FQEVSTJZSA-N 359.470 2.390 0 40 FEAB COc1ccc(S(=O)(=O)CCNC(=O)c2cccc3c2ccn3C)cc1 95480334 RVWPYVFGCJEIGJ-UHFFFAOYSA-N 372.446 2.391 0 40 FEAB COC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21Nc2ccccc2S(=O)(=O)N1 253597078 ZTSVAEQHXCKNOV-YQPCPPDFSA-N 350.440 2.086 0 40 FEAB COc1cccc(C(=O)NCc2cncc([C@H]3CCCN3C(C)=O)n2)c1 257231507 GHAFEDQPMVNCCH-GOSISDBHSA-N 354.410 2.099 0 40 FEAB CC(C)Oc1cncc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1 634791319 UCNPVPWSRKDNDL-UHFFFAOYSA-N 350.396 2.392 0 40 FEAB O=C(N[C@H]1C[C@H](C(=O)O)c2ccccc21)C1CCN(c2cnccn2)CC1 653329624 YFEZKSJYHRQQFJ-IRXDYDNUSA-N 366.421 2.122 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1 663228216 TTYZBPWFQKJDSB-IAGOWNOFSA-N 356.422 2.480 0 40 FEAB COc1cccc2c1OC[C@H](NC(=O)NCc1noc3c1CCCC3)C2 672825196 ULXOYWCABIOFQO-CYBMUJFWSA-N 357.410 2.365 0 40 FEAB CCN1CCN(C(=O)c2cc(-c3ccccc3OC)on2)C[C@]12CCOC2 1615590938 NAVCNGQUIGNTTI-FQEVSTJZSA-N 371.437 2.287 0 40 FEAB C[C@@]1(N2CCOCC2)CCN([C@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776578836 IZFBIKXHEDYSOX-DOTOQJQBSA-N 356.825 2.401 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](c4ccsc4)C3)cc21 670868261 KIIZPNYAVCZTEH-LLVKDONJSA-N 364.448 2.371 0 40 FEAB COc1cc(Br)c(CN[C@H]2CCCCNC2=O)cc1OC 37282625 PXXJKUZHONISEY-LBPRGKRZSA-N 357.248 2.225 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)CCOc1ccccc1Br 55036988 RUWSMWIRTOLTFU-NSHDSACASA-N 357.248 2.249 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2CC(N)=O)CC1 58181265 BTQFSVNXVRZVTG-UHFFFAOYSA-N 361.442 2.300 0 40 FEAB O=S(=O)(c1cccnc1)N1CCN([C@@H]2CCCc3ccccc32)CC1 58003770 HGWCUYLCFYIDPS-LJQANCHMSA-N 357.479 2.466 0 40 FEAB Cc1ccc(OCC2CCN(C(=O)c3cccc4c3OCCO4)CC2)nn1 1776001204 DZJJRECCDDZLIW-UHFFFAOYSA-N 369.421 2.487 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 101517093 PRFHGSRHYRAXMG-MRXNPFEDSA-N 369.469 2.161 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)N2C=C1 12205129 BBDADGHXQMSZFR-CBGDNZLLSA-N 372.513 2.334 0 40 FEAB CCn1cc(S(=O)(=O)NCCc2cc3c(cc2OC)CCC3)c(C)n1 12363391 QFGHWBMZPADANZ-UHFFFAOYSA-N 363.483 2.230 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2(c3ccccc3)CC2)cc1 12981001 XQKKPPAVBJLQQG-UHFFFAOYSA-N 358.463 2.121 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@@H]2[C@H]1CC=CCC1 14607542 IGHIBLQKNVOBSY-YOEHRIQHSA-N 350.426 2.373 0 40 FEAB COc1ccc(N(Cc2cccnc2)C(=O)c2ccc(=O)n(C)n2)cc1 19288486 FOKSWHFGUKQGEU-UHFFFAOYSA-N 350.378 2.031 0 40 FEAB Cc1cccn2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)nc12 19660402 PNPUCPQSGWQVCJ-UHFFFAOYSA-N 370.434 2.435 0 40 FEAB CCC(CC)C(=O)N1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19500078 UBVQTOAVKOMMAU-INIZCTEOSA-N 371.485 2.320 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 7211484 RVLCWBIPLKPWKC-UHFFFAOYSA-N 356.403 2.405 0 40 FEAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2037938496 JGVKHHZFLVEYGN-HXUWFJFHSA-N 373.453 2.470 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cc(C)nn2C)CC1 2055739201 OGWBWLZLXHFIFM-UHFFFAOYSA-N 359.449 2.060 0 40 FEAB C[C@H](NC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1)c1ccccc1 283116774 CUCRJXHBILEFKH-ZDUSSCGKSA-N 371.403 2.254 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1cn(C)c2ccccc12)c1ccccc1 96096527 BNPUKUXFUQMGLT-KUHUBIRLSA-N 365.433 2.205 0 40 FEAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(c3cnccn3)CC2)cc1 40049867 BUZGFGLOIKZCPW-MRXNPFEDSA-N 353.470 2.038 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCCC(C)C)n2)n1 40286678 WMGHEWFBOPDDCD-AWEZNQCLSA-N 359.474 2.377 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc(Cl)ccc1Cl 102087012 DMDXDTNIAWATHP-XMUKKISLSA-N 351.189 2.445 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC)cc1 32845432 MKTBBUKHWJOQEC-UHFFFAOYSA-N 350.415 2.396 0 40 FEAB CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 32809628 GAPRGHMHJALQOF-UHFFFAOYSA-N 351.406 2.127 0 40 FEAB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)c1 12196173 XIQMZQDAGOLNAS-QGZVFWFLSA-N 372.421 2.465 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)O 2701319 SAXYMWVFNCKOES-UHFFFAOYSA-N 355.379 2.091 0 40 FEAB O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@]1(O)c1cccnc1 827421 KTCXRBVYJMPUAE-HNNXBMFYSA-N 351.284 2.397 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2C)cc1 53214267 NZAWWOPOGDLOKX-NSHDSACASA-N 350.465 2.416 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)s1 1381640 YUBRXGJUBFJKDV-UHFFFAOYSA-N 366.468 2.471 0 40 FEAB CCn1cc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)ccc1=O 78086455 UHDBTGPQLHXLCJ-OAHLLOKOSA-N 362.474 2.274 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC[C@H]2C)c1C 3365450 WGBAFGCDYVNZPH-LLVKDONJSA-N 350.415 2.366 0 40 FEAB CC(C)[C@@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 41931173 KDSNVSBAOIAJOV-IAGOWNOFSA-N 352.500 2.214 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708266 CYGJVZQTPFXKEU-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB COC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1cc(OC)ccc1OC 994398 PZWDSXVJIJBNPG-OAHLLOKOSA-N 362.407 2.137 0 40 FEAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CC=C(c2ccccc2)CC1 23508486 RVLBWBXRKDPEIR-UHFFFAOYSA-N 353.422 2.467 0 40 FEAB CCOC(=O)c1nc2[nH]c(CSc3nc4ccccc4o3)cc(=O)n2n1 10157039 HQTNFZFBKULABZ-UHFFFAOYSA-N 371.378 2.028 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 8247578 GBLCJZWOLAVGMJ-AWEZNQCLSA-N 368.389 2.473 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)c1cnc2ccccc2n1 23956204 UMTYEJQSDBSHGA-UHFFFAOYSA-N 362.433 2.392 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@H](C(=O)Nc3nncs3)C2)CC1(Cl)Cl 47694638 IQEHMLIJIJECMM-UFBFGSQYSA-N 363.270 2.299 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cnn(C)c1 25306107 BZYVSCRNXOZXRX-UHFFFAOYSA-N 374.422 2.052 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 26539697 AJZXIYVOMYGWLI-UHFFFAOYSA-N 358.379 2.075 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F 119900794 IYKFQEVNVMPIOZ-LLVKDONJSA-N 372.238 2.127 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CCc2ccco2)cc1 57577981 MRGMLRYJIFZOTI-AWEZNQCLSA-N 364.467 2.258 0 40 FEAB Cc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20107524 XLGNRCJRHHWELV-UHFFFAOYSA-N 361.467 2.168 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3sccc3-c3ccc(F)cc3)CC2)N1 58246192 HTNYUAUGBPDVNL-UHFFFAOYSA-N 373.409 2.368 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cn1 48272193 CRRVCZMMVNHWGG-ZDUSSCGKSA-N 361.833 2.066 0 40 FEAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1 12754714 AXLIIIPFGADAEG-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB O=C(CN1CCC(NC(=O)CCc2ccco2)CC1)Nc1ccccc1 12768038 BUXMZDLEEHCMHD-UHFFFAOYSA-N 355.438 2.432 0 40 FEAB Cc1csc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 28046869 SOUIHZPFPBYZRL-UHFFFAOYSA-N 354.453 2.134 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 12792645 IPCOPZDPRDCNMT-NSHDSACASA-N 359.407 2.149 0 40 FEAB COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1 2268479 KGILUTDLJGSUHR-UHFFFAOYSA-N 365.817 2.329 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 11412775 VCONWZDGOVHCHR-FZKQIMNGSA-N 366.417 2.395 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 36837900 ZFIZRRCYTBIKFC-AEFFLSMTSA-N 368.437 2.345 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccccc3)CC2)c1 11750779 KPDWQLQRHDIZDU-UHFFFAOYSA-N 358.463 2.365 0 40 FEAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cn1 48332052 JFOLOUHWOZXEGZ-UHFFFAOYSA-N 364.808 2.247 0 40 FEAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3456732 AMUTVJINJZSOOF-QGZVFWFLSA-N 351.834 2.269 0 40 FEAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC)CC 12949051 NTGVUGQLBADSLC-WFASDCNBSA-N 351.472 2.008 0 40 FEAB O=C1C[C@H](c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 13127790 JABAJTRJJGCPPH-CQSZACIVSA-N 359.345 2.010 0 40 FEAB Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 3999553 UFDUUDWBZOHHTP-INIZCTEOSA-N 361.195 2.444 0 40 FEAB biogenic Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCOCC4)nn23)cc1 4164646 FFLCIVBVHDQXRN-UHFFFAOYSA-N 369.450 2.051 0 40 FEAB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 14138844 FRCYIRKVMFXJDI-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc2c(c1)OCCO2 5473514 RPZWGUAQDRXDLM-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB COCCN(C(=O)/C=C/c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4749861 AOACCKPEUAPHQK-YOCVDRLZSA-N 365.495 2.485 0 40 FEAB CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 7115446 NGNRHDCJYGHFCZ-GOSISDBHSA-N 358.463 2.343 0 40 FEAB O=C1CSc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3c3ccccc3)cc2N1 67891554 HFFOQZOZFAXEAB-KBPBESRZSA-N 367.430 2.342 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(C)c1 8248741 RAQILRUVDKXHEX-QGZVFWFLSA-N 362.495 2.493 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C(C)=O)cn2C)c1C 8415396 QQJAUADULGCIHV-LBPRGKRZSA-N 374.393 2.387 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1ccccc1Br 409379905 BLHOBQKCVRVHDC-BLTAXRJOSA-N 352.184 2.432 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)CN3CCCc4sccc4C3=O)C2)n1 84286548 DEXIQUOEKSTKPH-ZDUSSCGKSA-N 374.466 2.234 0 40 FEAB O=C(NC[C@H](CO)c1ccccc1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 88404754 UNKJKFGTAOBJOZ-QZTJIDSGSA-N 373.497 2.243 0 40 FEAB Cc1nn(C)cc1CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997998 PDSFXCLGUXSXNZ-UHFFFAOYSA-N 350.426 2.003 0 40 FEAB Cc1ccc(-c2nnc(CN3CCN(Cc4noc(C)n4)CC3)o2)cc1 95959650 PFRFICJXWZWUCP-UHFFFAOYSA-N 354.414 2.054 0 40 FEAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 553080484 LZPFHKPCMLHVFM-MSOLQXFVSA-N 362.495 2.484 0 40 FEAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c(OC)c1 39998521 OURJPACNXANNGQ-OAHLLOKOSA-N 350.440 2.448 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)c1 306141579 WAZAIRXHDQHZIE-KRWDZBQOSA-N 363.479 2.051 0 40 FEAB Cc1cc(N2CCOCC2)nc2sc3c(NCCCO)ncnc3c12 71280331 CANBVSCXYFDLLL-UHFFFAOYSA-N 359.455 2.179 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(CO)CO)cc1 218450678 DDVMTRPHKLXDEF-IAGOWNOFSA-N 350.411 2.045 0 40 FEAB CN1CCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)CC1 32610878 DMQBOHXZNNDULN-UHFFFAOYSA-N 368.359 2.326 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)n2ncnc2n1 35313386 VQCGDGHREQYYJH-CYBMUJFWSA-N 354.389 2.427 0 40 FEAB O=C(NCCOc1cccc2cccnc12)c1cccc(-n2cnnn2)c1 38680941 OHUCFGOJGKGGDR-UHFFFAOYSA-N 360.377 2.019 0 40 FEAB COc1cccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 47346221 MSSGKBVHBDPXMJ-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 49679973 OKOMCCQCLQHWGP-OAHLLOKOSA-N 373.478 2.010 0 40 FEAB CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2c(C)nn(C)c2Cl)C1 583615384 GFMNAUSMMDIJAD-ZYHUDNBSSA-N 352.788 2.413 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(=O)O)s1 583758105 UBSIESQAKOYKNF-SNVBAGLBSA-N 354.453 2.287 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 95533205 YMLVJQDQZDAEFW-TVKQPGBESA-N 368.518 2.353 0 40 FEAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCc1ccccc1 96112969 PUWCMUYFAGAFOE-RBUKOAKNSA-N 351.450 2.255 0 40 FEAB biogenic,in-vitro CC(=O)c1cccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)c1 244256591 WKDNOVJHAJEITB-UHFFFAOYSA-N 374.462 2.280 0 40 FEAB Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)cs1 257240848 HVKSAFOUJDOPEP-AWEZNQCLSA-N 357.439 2.496 0 40 FEAB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(CCCc3ccccc3)CC1)C2 257296821 REMZINLEMSKFCX-HXUWFJFHSA-N 353.470 2.433 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)cn1 257311850 ULHDIVSSVJQEJR-INIZCTEOSA-N 356.474 2.203 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)Nc3cnn(Cc4ccccn4)c3)C2)n1 607721312 MNSFRYILZUQMSS-CQSZACIVSA-N 367.413 2.429 0 40 FEAB Cn1cc(-c2nc(C(=O)NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)cs2)cn1 629264564 DYRNDHCJMLZBOV-XHDPSFHLSA-N 372.454 2.164 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67871589 KOUPSWJFTXFAHG-UHFFFAOYSA-N 363.373 2.177 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1 680538678 OXQOXOPGCWVLSN-BRWVUGGUSA-N 355.456 2.090 0 40 FEAB Cc1cccc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)c1 585112537 SACYYULJRQNZSF-SFHVURJKSA-N 374.510 2.220 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)CCc2nc(C)no2)C1 585276480 LZQMKKRBMMUTJW-IBGZPJMESA-N 359.426 2.316 0 40 FEAB CC(=O)N1CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 585269403 SCIHFUGQUOKXFA-UHFFFAOYSA-N 350.434 2.042 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@H]2CCN(C)C(=O)C2)C(C)C)c1 44437716 SLMOKIKRDMMVDP-YJBOKZPZSA-N 374.437 2.264 0 40 FEAB O=C(Nc1ccccn1)N1CCC(NS(=O)(=O)c2cccs2)CC1 48349298 ZNEHEMFWHMHMHF-UHFFFAOYSA-N 366.468 2.118 0 40 FEAB Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)nc2nc(O)[nH]c(=O)c12 81408949 HGFVVMMAUFAGQB-JSGCOSHPSA-N 364.405 2.350 0 40 FEAB CCOc1nc(C)ccc1C(=O)N1CCN(c2cncc(OC)c2)CC1 636276614 XKXFUSXNZBUKHY-UHFFFAOYSA-N 356.426 2.155 0 40 FEAB Cn1c(=O)c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2c(=O)n1C 12427756 CSMQNAHGJDZPQJ-UHFFFAOYSA-N 360.373 2.038 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NOC)cc2)cc1 12631349 SYKCQEYDTUOGSL-UHFFFAOYSA-N 350.396 2.177 0 40 FEAB O=C(C[C@H]1C=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267465 WAJQSOCNDGUIML-INIZCTEOSA-N 367.449 2.106 0 40 FEAB CN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(F)c(F)c1F 14068848 KEJFJPGMPTVTTL-UHFFFAOYSA-N 371.384 2.352 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2)n1 14331141 SYMNETHTOPSXNH-UHFFFAOYSA-N 355.423 2.226 0 40 FEAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 19017139 KYMNDMKPGCYQRR-KRWDZBQOSA-N 351.454 2.156 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCc2[nH]c3ccccc3c2C1 19657381 ZLCVCJGVNTWTGC-UHFFFAOYSA-N 358.405 2.406 0 40 FEAB CC(C)(CN1CCCCC1)NC(=O)CCn1cnc2ccccc2c1=O 19661697 RKTDYNIUNMZWRV-UHFFFAOYSA-N 356.470 2.167 0 40 FEAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(C)=O)C2)nc1C 19766086 WJOKZSUDGNTUMM-AWEZNQCLSA-N 354.410 2.382 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc2ccccc2oc1=O 19902075 YWEVSEXIFNIUMQ-MRXNPFEDSA-N 368.389 2.189 0 40 FEAB CCOc1cc(CN2CCC[C@]2(COC)C(N)=O)cc(Cl)c1OC 643763311 ZHOMNRGJWUIXCB-KRWDZBQOSA-N 356.850 2.214 0 40 FEAB CCn1ncc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c1C 12239652 KZAOMCLOPQVSBP-UHFFFAOYSA-N 363.483 2.238 0 40 FEAB Cc1cc(Br)cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 682611288 VEBBAMWUGHTGTP-ZLKJLUDKSA-N 351.244 2.484 0 40 FEAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 9469755 NKPMZJDPAYPQSD-UHFFFAOYSA-N 367.405 2.409 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 30799235 CPTPPYMBYCGFHC-GFCCVEGCSA-N 359.813 2.470 0 40 FEAB CCn1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)c(C)n1 2037908973 JBWJCPSJPMBLRQ-LJQANCHMSA-N 361.417 2.397 0 40 FEAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CO1 1565553259 QRYIUNRBKRUGFH-LPHOPBHVSA-N 363.502 2.450 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(OC)c(OC)c1 10256271 GJHHBDODSXHKBA-HNNXBMFYSA-N 355.394 2.413 0 40 FEAB Cc1ccc(OCC2CCN(c3cc(=O)n4ccccc4n3)CC2)nn1 1775965640 HRGXQBHHAVMDJM-UHFFFAOYSA-N 351.410 2.088 0 40 FEAB Cc1cc(=O)c(C(=O)NCCCN2CCC[C@H](C)C2)nn1-c1ccccc1 40108091 MMIIHTKIRWXAOI-INIZCTEOSA-N 368.481 2.393 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1 32960731 AEHRWRGRUDWFQQ-NSHDSACASA-N 370.800 2.073 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 32976372 ATYGTDDSTGSZLQ-OAHLLOKOSA-N 370.453 2.097 0 40 FEAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 33211954 UJBWWMOURRIPCO-WBVHZDCISA-N 372.469 2.058 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1F)N1CCc2ccccc21 1361301 MJSSIYYUZBFLAM-UHFFFAOYSA-N 355.398 2.483 0 40 FEAB O=C(N[C@H](C(=O)O)[C@@H](O)c1ccccc1)c1ccc(Br)cc1 3172743 SAORHZONDSOATJ-KBPBESRZSA-N 364.195 2.366 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(n2cccc2)CC1 103716406 KUMPRRTWXDZOIM-CALCHBBNSA-N 357.454 2.217 0 40 FEAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NC1CC1 4859148 YWOHPDOKAFACNA-UHFFFAOYSA-N 358.467 2.029 0 40 FEAB CCOC(=O)N1CCN(C(=O)C2CCN(Cc3cccs3)CC2)CC1 6154550 XKZLOSDPWNCPHH-UHFFFAOYSA-N 365.499 2.261 0 40 FEAB COCCN1C[C@@H](C(=O)NCCc2ccc3ccccc3c2)CCC1=O 12455557 CGPYOTHZMNANJP-IBGZPJMESA-N 354.450 2.384 0 40 FEAB CC[C@@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974694 IMYDKAGNDDQJCW-LCCAYYTGSA-N 359.401 2.214 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(-n2cnnc2)c1 24703851 CVXXKMMMFUBZBS-UHFFFAOYSA-N 355.785 2.289 0 40 FEAB CCOc1ccnc(N2CCN(CCOc3ccccc3OC)CC2)n1 106152165 WHRWANOCQPEQRP-UHFFFAOYSA-N 358.442 2.085 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NC1CCC(C)CC1 25044649 VSFCLUIUVZJKHZ-UHFFFAOYSA-N 357.458 2.073 0 40 FEAB Cn1cc(N2CC[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cn1 84318594 IXGPTZUYYNMBDH-SFHVURJKSA-N 364.453 2.281 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 113938673 XEXVGKQQFTXNMX-UHFFFAOYSA-N 372.368 2.186 0 40 FEAB COc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(=O)(=O)N(C)C 25386085 FMIPQHRBJRCEFG-UHFFFAOYSA-N 369.830 2.246 0 40 FEAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(Cc2ccccc2)CC1 25507714 LROMKYRGDOXLAU-INIZCTEOSA-N 357.498 2.054 0 40 FEAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 24839735 VYQBGEWYBZHJCG-UHFFFAOYSA-N 362.495 2.392 0 40 FEAB CCn1cc(C(=O)NCCCn2nc(C)c(Br)c2C)cn1 28235046 WTTFUMCXZBOWLU-UHFFFAOYSA-N 354.252 2.299 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(C)c3)cn2)C[C@@H](C)O1 58158027 USRZCMIEAVDTHX-OKILXGFUSA-N 358.446 2.093 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1C 36071060 YKTBFVWRQHJRAV-IBGZPJMESA-N 370.474 2.434 0 40 FEAB CCC(C)(C)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 27721475 TWNCBVSTZJYKIR-SFHVURJKSA-N 362.451 2.463 0 40 FEAB Cc1ccccc1OC[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 58305217 NBSBQDVRJSWZQW-HUUCEWRRSA-N 359.426 2.359 0 40 FEAB Cc1cc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c([S@](C)=O)s1 103023836 VFGMJZZXZCHQKS-VFYQPRLDSA-N 374.443 2.086 0 40 FEAB Cc1ccccc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 10833731 MPTFAFYIIPROSR-OAHLLOKOSA-N 362.451 2.216 0 40 FEAB CC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010069 WYOWPAYJXFNTRV-ZDUSSCGKSA-N 356.513 2.478 0 40 FEAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1 3442708 BZVVFFSPUGSIQW-UHFFFAOYSA-N 361.781 2.391 0 40 FEAB Cn1nc(C(=O)OCc2nnc(-c3ccccc3)o2)c2ccccc2c1=O 2653771 JJJJJSLOUABDSB-UHFFFAOYSA-N 362.345 2.341 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12903945 YNAHCHVAFXIJPZ-MRVPVSSYSA-N 365.149 2.481 0 40 FEAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 12933914 UMLBJCOUWGBXRQ-GFCCVEGCSA-N 365.861 2.230 0 40 FEAB CCOC(=O)c1cc(Cl)c(OCC(=O)N2CCNC2=O)c(Cl)c1 12983001 BCIMZQVYNUMMTE-UHFFFAOYSA-N 361.181 2.101 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1nc2ccccc2nc1N1CCCC1 12999856 HGTXECPGROKTLB-UHFFFAOYSA-N 369.450 2.400 0 40 FEAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2nc3nccc(C)n3n2)c1 49082371 URUTWLQUKZOLFK-LBPRGKRZSA-N 366.425 2.347 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC(C)C)CS[C@H]21 4081393 GRQYWCLJNJRDJV-APPDUMDISA-N 350.440 2.046 0 40 FEAB biogenic COc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1ccccc1C(=O)O 71284208 FJFIPQHZCZWKIR-UHFFFAOYSA-N 368.389 2.467 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 14095264 SIEAGNLNCXTBBF-UHFFFAOYSA-N 354.410 2.342 0 40 FEAB Nc1nc(N)nc(COC(=O)c2ccccc2OCc2ccc(F)cc2)n1 14094224 HXRLOSHPWKAZDL-UHFFFAOYSA-N 369.356 2.111 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)CO[C@@H]1CCCc2ccccc21 14254150 CSBRXWABBOBIAP-DOTOQJQBSA-N 358.438 2.306 0 40 FEAB CCOc1cc(C=O)ccc1O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 6605782 GWBDNYOJIQTHJV-GFCCVEGCSA-N 356.378 2.403 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 4995168 JMIAZDVHNCCPDM-DQDWJNSRSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro CCNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(Br)ccc1OC 15444120 WTFUBLVYTIBXQS-JTQLQIEISA-N 372.263 2.124 0 40 FEAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21 15880935 NFQPNXKQDJLBIY-UHFFFAOYSA-N 370.844 2.479 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)N1CC[C@]2(O)CCCC[C@H]2C1 15954260 NDCKGNPLTQBZIY-VBKZILBWSA-N 357.406 2.195 0 40 FEAB biogenic CC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 16090462 QGFPSGMWMKGTJZ-UHFFFAOYSA-N 370.780 2.212 0 40 FEAB C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 7988559 LMFWZVASJCHYIK-GFCCVEGCSA-N 361.419 2.352 0 40 FEAB O=C(COC(=O)c1ccc(Br)cc1F)NC[C@H]1CCCO1 8260933 CPJNVARHRQLLST-SNVBAGLBSA-N 360.179 2.040 0 40 FEAB Cc1c(NC(=O)[C@@H](C)Sc2nccn2C)c(=O)n(-c2ccccc2)n1C 8389820 WTWUKWXFVJKRFC-CYBMUJFWSA-N 371.466 2.337 0 40 FEAB C[C@@H]1CN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@@H](C)O1 19912347 XUFNUSDPUIGUQX-KFWWJZLASA-N 373.449 2.131 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CCNC(=O)NCc2ccccc2)c1 9691018 ZWSHWIXDLWCWRM-UHFFFAOYSA-N 354.410 2.473 0 40 FEAB COCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 84247935 QFASLZBBGAVWAH-UHFFFAOYSA-N 352.394 2.011 0 40 FEAB COc1ccc(C)cc1CN(C)C(=O)CNC(=O)NCc1ccccc1 9918876 UTZNUKOHJYMUKB-UHFFFAOYSA-N 355.438 2.461 0 40 FEAB NC(=O)CSc1ccccc1NC(=O)CN(Cc1cccnc1)C1CC1 89814124 SJRJYYCUEHBLIK-UHFFFAOYSA-N 370.478 2.262 0 40 FEAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870695 CZYOCKKNTTZXSY-UHFFFAOYSA-N 362.407 2.013 0 40 FEAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O 409321466 SXCAZIKSUSNUMF-PFONDFGASA-N 371.418 2.058 0 40 FEAB CS(=O)(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc3ncnn23)cc1 513625615 RFWDANCFRHFZMC-UHFFFAOYSA-N 371.344 2.431 0 40 FEAB CCOc1cc2c(cc1CN1C[C@H]3CCCN3C[C@@H]1CCO)O[C@H](C)C2 72324951 SELGONPKGMFWIJ-LZQZEXGQSA-N 360.498 2.440 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)C(=O)O)cc1 218630274 ZHUZNAAJMSGAJY-SOLBZPMBSA-N 363.410 2.104 0 40 FEAB CCCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217629771 WKIHINFDHQWNPB-GFCCVEGCSA-N 356.444 2.054 0 40 FEAB Cc1nc(CC2CCN(C(=O)CN(C)C)CC2)cc(NC2CCCC2)n1 72352108 LBSPXTPYGDBHSW-UHFFFAOYSA-N 359.518 2.482 0 40 FEAB CC(C)CCN1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225471858 YEJZKXIFIYEUHF-UHFFFAOYSA-N 366.575 2.220 0 40 FEAB biogenic,in-vitro C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Cc1nn(C)c3ccccc13)C[C@@H](C)O2 570918619 ISMMYHMJZSNXIS-SXGZJXTBSA-N 357.454 2.301 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cccn2)nc1 42684559 WRATXECRMIYKLX-HNNXBMFYSA-N 350.378 2.179 0 40 FEAB CCOC(=O)N1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 45670037 GLJVPZDYVBHQJG-UHFFFAOYSA-N 360.332 2.385 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1O[C@H]1CCSC1 225724890 VLGYPMWBNXXEQD-AWEZNQCLSA-N 368.422 2.194 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCc3ccccc3C2)c1 80217297 CGUHDRQQARXNPB-UHFFFAOYSA-N 355.369 2.308 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)s1 577526230 ZIXDDRGALVAADB-CYBMUJFWSA-N 368.484 2.312 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)n1 96108216 VNARAPOVSPFKDF-FUHWJXTLSA-N 357.479 2.425 0 40 FEAB Cn1cc(-c2nc3c(c(NC4CC4)n2)CN(Cc2ccccn2)CC3)cn1 96254204 DHDXPZJJXXPXGT-UHFFFAOYSA-N 361.453 2.405 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)COc1ccccc1)C2 96227020 NXOLFKNWEVBMKC-RXVVDRJESA-N 365.433 2.015 0 40 FEAB O=C1OCc2cc(NC(=O)c3ccc(Cl)cc3-n3cnnn3)ccc21 95480719 UAQHZPOMLZJMFE-UHFFFAOYSA-N 355.741 2.238 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)NCc1cccs1 96208651 WRAFQOCJNWJAMG-QILLFSRXSA-N 357.479 2.439 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 245377223 JDRAQFXCNZIIPO-HZPYRXDASA-N 357.406 2.101 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2cccnc2)nn1C 253470981 AJCGOFJAZOKXAF-UHFFFAOYSA-N 360.414 2.408 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)ncn1 257226143 FJHJIAPMBMKERX-QGZVFWFLSA-N 358.442 2.445 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 96025768 VOHPEKLHRZYNRB-QGZVFWFLSA-N 359.451 2.202 0 40 FEAB C[C@](CO)(NC(=O)c1ccnc2[nH]nnc12)c1cccc(C(F)(F)F)c1 616812310 FHGNMUNDUAWIJS-OAHLLOKOSA-N 365.315 2.009 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cccc(Br)c1 644073366 XSRBGILTOBXUAC-ZNMIVQPWSA-N 353.260 2.167 0 40 FEAB CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 650331482 NWBBWOVNHNYFLX-UHFFFAOYSA-N 357.497 2.152 0 40 FEAB COc1cc2c(c(OC)c1OC)CCN(Cc1nnc3n1CCCC3)CC2 676264129 KTAXLDQKHNAUSH-UHFFFAOYSA-N 372.469 2.241 0 40 FEAB Cn1cc(-c2cc(CN3CC(C)(C)C(=O)Nc4ccncc43)on2)cn1 1775961992 MONDWCQZFNHUKO-UHFFFAOYSA-N 352.398 2.455 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)COc2ccc3c(c2)CCC3)C1 1775959208 NPEGMFYGEAVCEN-DLBZAZTESA-N 357.410 2.234 0 40 FEAB O=C(c1cscn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830790 NLNQEIQOCSQLEW-UHFFFAOYSA-N 350.465 2.363 0 40 FEAB O=C(NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCCC1 585112753 UZDRJKIURSJXNT-LJQANCHMSA-N 353.470 2.288 0 40 FEAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585106007 CRMPHXMTOVQOSD-MSOLQXFVSA-N 355.482 2.058 0 40 FEAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1 32499627 GUVIZDJJTAUTGF-UHFFFAOYSA-N 365.477 2.459 0 40 FEAB CCCOC(=O)CCNS(=O)(=O)c1ccc(OCC)c(OCC)c1 72313097 IECQMVFLBIGJBP-UHFFFAOYSA-N 359.444 2.106 0 40 FEAB Clc1cnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)nc1 1776009110 UUVHVQSLNVRBFX-UHFFFAOYSA-N 353.817 2.309 0 40 FEAB COC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 77924732 YTRGVNUMRBOZMI-AAEUAGOBSA-N 356.369 2.044 0 40 FEAB Cc1cccc(CNC(=O)CN2CCN(C(=O)c3ccsc3)CC2)c1 95957540 HXTCZDRDJNTRQE-UHFFFAOYSA-N 357.479 2.131 0 40 FEAB O=C1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 84404722 XXFOGUQHUDARRP-QGZVFWFLSA-N 350.374 2.330 0 40 FEAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1 5449340 HXSHPOITVCVSCH-CYBMUJFWSA-N 374.437 2.474 0 40 FEAB CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 5778710 CWXPNMWQMWIWBA-INIZCTEOSA-N 372.446 2.407 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12553771 LONLXZAGDLJFPF-ZDUSSCGKSA-N 362.451 2.471 0 40 FEAB COc1cccc(CCNC(=O)Cn2cnc(-c3ccccc3)cc2=O)c1 13806563 QNVNDHFPKCEXDS-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB NS(=O)(=O)c1ccc(CCNCc2cccc(Br)c2)cc1 16386208 IPGUREUEPKJXDK-UHFFFAOYSA-N 369.284 2.429 0 40 FEAB CCCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16638474 OSIBHKDUUAOXLE-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1 18150262 NPBYHZNDVDPAJD-UHFFFAOYSA-N 364.492 2.258 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)n4ccnc4)C3)nn2c1O 100141830 GFGUPRQFSXTQMI-ZDUSSCGKSA-N 354.414 2.350 0 40 FEAB COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 640865745 HCNOMTYEWFTTJQ-KMUNFCNLSA-N 356.825 2.205 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600983 GGNHGADYOUOXSG-JLTOFOAXSA-N 355.438 2.171 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cn3ccccc3n2)cc1 4485187 NDLLZWBKCWVMJW-ZDUSSCGKSA-N 353.378 2.205 0 40 FEAB Cc1ccc(-c2csc(NC(=O)COC(=O)C3=COCCO3)n2)cc1 4871213 OOTFLSUIUJZOAF-UHFFFAOYSA-N 360.391 2.488 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5c(C)noc5C)C[C@H]4C3)n1)CCC2 1888869893 XGRIDBZTXZHJCM-GASCZTMLSA-N 367.453 2.087 0 40 FEAB COC(=O)c1ccc2c(c1)N(C)C(=O)N(c1ccc(F)cc1)S2(=O)=O 1889022088 ZBNCKFXVKKEOAN-UHFFFAOYSA-N 364.354 2.377 0 40 FEAB O=C1CC2(CCN(C(=O)c3cncs3)CC2)Nc2ccccc2CCN1 2037988826 KFHUHJJIVBEEAC-UHFFFAOYSA-N 370.478 2.292 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccccc12 8843721 NPJPRMULNKFJSJ-GOSISDBHSA-N 374.466 2.235 0 40 FEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCO2 9701738 VRODBGMAWPTUHS-UHFFFAOYSA-N 353.290 2.446 0 40 FEAB COCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1 22999857 TZSRIIVYNCSTFZ-UHFFFAOYSA-N 362.495 2.477 0 40 FEAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c1 101271019 JLKJBHYKUVVEPL-CVEARBPZSA-N 370.340 2.341 0 40 FEAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)n1 575615364 DBNGEKLIZIWPHX-OAHLLOKOSA-N 371.466 2.174 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575413958 YLIDITCQDDXKKF-AWEZNQCLSA-N 361.785 2.210 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148186 QNSBGNTZYBUTTJ-MRXNPFEDSA-N 354.362 2.006 0 40 FEAB CC(C)CN1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CC1=O 29820912 JGBYMFISRLNGAY-HNNXBMFYSA-N 363.889 2.493 0 40 FEAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)C(=O)N(C)C 40121193 BDYPMHJQQLSCRY-LLVKDONJSA-N 362.455 2.185 0 40 FEAB O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2[nH]1 20572347 RWXHXTCOWCIVTJ-UHFFFAOYSA-N 366.259 2.383 0 40 FEAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1cc(C)on1 32752967 YLXLLJDLDUFODW-UHFFFAOYSA-N 362.411 2.476 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nncn1-c1cccnc1 916922 PIZUKNRPTNEMFD-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB C[C@@H](NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1)c1ccccc1 1376410 NTGKGDRIAPBNJE-CQSZACIVSA-N 350.426 2.284 0 40 FEAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)cc1C 4991696 ASVMLLDTIZTDOP-JSXRDJHFSA-N 370.445 2.060 0 40 FEAB CCCCCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 6788602 CHCYBBSSLIANHP-UHFFFAOYSA-N 374.268 2.146 0 40 FEAB CN1c2ccsc2C(O)=C(C(=O)NCc2ccccc2)S1(=O)=O 100940689 UIIMUDPGQZSSLN-UHFFFAOYSA-N 350.421 2.071 0 40 FEAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1)S(C)(=O)=O 916111 QWMRUOHUEWKFCI-HNNXBMFYSA-N 358.463 2.426 0 40 FEAB CCN(CC)C(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O 51319332 UNLDMLHCALENJZ-UHFFFAOYSA-N 359.426 2.008 0 40 FEAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1ccc(C(N)=O)cc1 55007826 JMEMDPKEYJLMFW-GFCCVEGCSA-N 372.446 2.369 0 40 FEAB O=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)c1ccc(Cl)cc1 9109189 ZGMQPQNKYSNJOI-UHFFFAOYSA-N 357.679 2.342 0 40 FEAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)n2nc(-c3cccnc3)nc2N1 9926462 SNWQDFCSGFHXSA-CYBMUJFWSA-N 352.329 2.001 0 40 FEAB O=c1c2ccccc2nc(CN2CCOCC2)n1CCOc1ccccc1 25606011 XYRFPNFEWBPNBZ-UHFFFAOYSA-N 365.433 2.308 0 40 FEAB O=C1COc2cc(C(=O)N3CCCN(Cc4ccccc4)CC3)ccc2N1 26357766 GNSTVPYPWPRXIB-UHFFFAOYSA-N 365.433 2.366 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)NC[C@@H](O)C(F)(F)F)cc1F 84291022 PVHSUDGQGHIIGB-CYBMUJFWSA-N 360.311 2.042 0 40 FEAB CCOC(=O)C[C@@](C)(O)CNC(=O)c1cc(C(C)C)nc2onc(C)c12 97109253 HMOMMNRJBBNXPN-GOSISDBHSA-N 363.414 2.089 0 40 FEAB Fc1ccc2c(NCCCN3CCN(c4ncccn4)CC3)ncnc2c1 58217249 ARWRNZCRHFBOAC-UHFFFAOYSA-N 367.432 2.183 0 40 FEAB Cn1nc2c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)CCC2 23135716 WEAVVGWNZBHEGY-UHFFFAOYSA-N 365.430 2.241 0 40 FEAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(OC)cc2)OC(N(C)C)=N1 2275772 JXDGRZHTOMWMDR-OAHLLOKOSA-N 373.331 2.211 0 40 FEAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(c3ncccn3)CC2)cc1 36390082 JCDQSYFHDWRMTD-MRXNPFEDSA-N 353.470 2.038 0 40 FEAB COc1cc2c(cc1NC(=O)c1c(OC)cccc1OC)n(C)c(=O)n2C 21042516 GZONVSYUNMQROV-UHFFFAOYSA-N 371.393 2.155 0 40 FEAB O=C1N2CCN=C2c2cnn(-c3ccc(F)cc3)c2N1CCN1CCCC1 72347788 KCAYMZKKXNMGCF-UHFFFAOYSA-N 368.416 2.109 0 40 FEAB Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 36447048 XWZXLSJAQMSMQO-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB C[C@H](C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1cccnc1 174554036 SCZZITFRWGGDRB-ZDUSSCGKSA-N 359.376 2.448 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2NC1=O 12921737 BHRAMUAMMAYYGK-NEPJUHHUSA-N 357.410 2.136 0 40 FEAB NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(F)cccc2Cl)c1 95350922 SZBYRXVMFSEKTB-UHFFFAOYSA-N 358.778 2.013 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)Cc2ccc3c(c2)CCCC3)no1 96001017 IKWBVDQQSDAWOZ-KRWDZBQOSA-N 371.437 2.237 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 14098997 RMUNMNXRJQBTOL-UHFFFAOYSA-N 369.446 2.275 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1ccc(=O)c2ccccc21 65513626 XTWFQFHNFFRMIT-OAHLLOKOSA-N 364.401 2.300 0 40 FEAB O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCCO1 66841831 BQVZJCANTWDPHD-MRXNPFEDSA-N 373.280 2.489 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(N3CCCC3=O)c2)no1 7314360 SEUCUWIYPHZKFU-GFCCVEGCSA-N 357.366 2.294 0 40 FEAB Cc1cc(C)n2c(SCC(=O)NCCOc3ccccc3)nnc2n1 7426048 WPQCEHFRTXDOIP-UHFFFAOYSA-N 357.439 2.028 0 40 FEAB COc1ccc(C)cc1CN(C)C(=O)Cc1nn(C)c(=O)c2ccccc12 8348249 GDFKQFFXMPIQBH-UHFFFAOYSA-N 365.433 2.452 0 40 FEAB COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(N)=O 8344735 XYDJMNLVSHYWTN-WDEREUQCSA-N 368.434 2.170 0 40 FEAB C[C@@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)NC(=O)NC(C)(C)C 8457309 MLSSYHBQUGNHSA-SSDOTTSWSA-N 354.457 2.090 0 40 FEAB CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423215 BEYDAYWHXFNYEI-UHFFFAOYSA-N 350.484 2.198 0 40 FEAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218061857 AMKRFJXITVXSSX-DZKIICNBSA-N 351.811 2.062 0 40 FEAB Cc1nc(C(=O)NCC(=O)OCc2ccccc2)nn1-c1ccc(F)cc1 18233910 PWISDNOCXFXNGN-UHFFFAOYSA-N 368.368 2.188 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)no1 8713475 RYMUTWJDJHNQFF-SECBINFHSA-N 361.379 2.211 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)s1 548537278 QAERERXTIKCEBK-GHMZBOCLSA-N 361.485 2.204 0 40 FEAB Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)N(CC2CC2)C(=O)c2cccn23)cs1 306125702 CYYLXYAKKGMQEY-JKSUJKDBSA-N 356.451 2.185 0 40 FEAB COc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cc1 306137321 QSVGUCJYRQYFTF-CGTJXYLNSA-N 353.422 2.289 0 40 FEAB O=C(c1ccccc1-n1ccnn1)N1CCC[C@H](OCC(F)(F)F)C1 544195147 AUBZOAIESCUXQN-LBPRGKRZSA-N 354.332 2.451 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(O)c3)CC2=O)c(OC)c1 32095793 KBYZWSUNYPJHCD-LBPRGKRZSA-N 356.378 2.401 0 40 FEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217668431 CQPGFUBWYXRBFZ-RYUDHWBXSA-N 358.460 2.299 0 40 FEAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c(-n2cnnn2)c1C 71280390 QDSBNOYXYYAWNH-LBPRGKRZSA-N 371.426 2.234 0 40 FEAB Cc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3nscc32)c1 49403856 BCBNAZKQJKQZOO-UHFFFAOYSA-N 358.423 2.148 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 44901668 QNGZHUIMYNMKNW-VNQPRFMTSA-N 353.397 2.378 0 40 FEAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 224752313 OGYKQKHOWRHFBR-UHFFFAOYSA-N 368.484 2.262 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1 223097889 SZWLFTRGTQGYFA-UHFFFAOYSA-N 374.875 2.061 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3c(c2)OCCO3)cc1 224690429 NOPUJSQFUQFQNX-UHFFFAOYSA-N 363.391 2.046 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCCc2ccccn2)c(Br)c1 42646419 JKGFJNVDTGRUSV-UHFFFAOYSA-N 362.227 2.450 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2cccc(C)c2C)s1 223293007 JFUBTYZHVCLVBK-UHFFFAOYSA-N 367.452 2.438 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 96046575 PXHSUYTZWMSBQI-UHFFFAOYSA-N 352.438 2.189 0 40 FEAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3Cl)C[C@H]1O2 96253035 PNIKQDBQHCNICG-DVOMOZLQSA-N 363.845 2.487 0 40 FEAB CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)CC1 96042772 ZUGPTNIVYPXXDB-IPMKNSEASA-N 350.503 2.151 0 40 FEAB O=C(c1ccc[nH]1)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1 96076782 OITDLVXARVSFDG-LJQANCHMSA-N 358.417 2.308 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(CO)C(=O)O)cc1 242548437 LLKLXAPTIPKSQG-NUJGCVRESA-N 364.394 2.137 0 40 FEAB O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccsc2)Cc2cncn21 247459443 AGWWSPASGXWSJH-QGZVFWFLSA-N 360.483 2.044 0 40 FEAB COc1cccc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CCO3)C2)c1 247896901 DEMOEPMIJNOUHV-MRXNPFEDSA-N 367.467 2.044 0 40 FEAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2ccncc2)C3)n1 253601811 XDHIUVRXKZPCMA-INIZCTEOSA-N 368.437 2.270 0 40 FEAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257223549 DXWYOKABGWAUNV-HNNXBMFYSA-N 350.426 2.230 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1c(C)nn(C)c1C 257237664 HHNIUQIGWFRBNT-SFHVURJKSA-N 356.474 2.109 0 40 FEAB COc1cccc([C@](C)(CC(=O)O)NC(=O)[C@H]2CCc3ncncc3C2)c1 649251614 ISHMSTWRFCCGLT-RBZFPXEDSA-N 369.421 2.096 0 40 FEAB COc1cc2nc(N[C@H]3CCc4nc(C)ncc4C3)nc(N)c2cc1OC 663502418 IRESEDHMUYAJHC-LBPRGKRZSA-N 366.425 2.297 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H](C)O1 32895326 FMBFAZACCBSLPJ-HZPDHXFCSA-N 352.500 2.295 0 40 FEAB Cc1cncc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1147397117 ZGEWRAHVGLKZPD-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB CC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2ccccc2Br)C1 659786741 ZXPKJLPOHLYVIB-FZMZJTMJSA-N 355.232 2.175 0 40 FEAB COCCOc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1 183402912 UEPZJNKGGMUWCA-UHFFFAOYSA-N 359.401 2.208 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccccc3)CC2)cc1 5798866 PALZOUGRYNSQAH-UHFFFAOYSA-N 359.451 2.216 0 40 FEAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nnc2ccccc2c1=O 5241463 JVADLTMHBCGLRJ-MRXNPFEDSA-N 366.377 2.168 0 40 FEAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)NC1CCCCC1 12117516 FVDOUNFGWSUART-UHFFFAOYSA-N 354.410 2.288 0 40 FEAB CC(=O)N1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1 19017877 DANRRRWBSQZUSS-KRWDZBQOSA-N 353.426 2.059 0 40 FEAB COCCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 19128643 UAIKDGRTKMAGGV-UONOGXRCSA-N 356.417 2.457 0 40 FEAB COc1ccc(O[C@H](C)CNC(=O)c2cc(C(C)C)n3ncnc3n2)cc1 19452619 VVEKWVIQDGDMIA-CYBMUJFWSA-N 369.425 2.454 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 19583399 TUHCZZORZHWYIQ-UHFFFAOYSA-N 368.369 2.183 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 19590616 GAYNDASTRHOXAW-MRXNPFEDSA-N 366.465 2.032 0 40 FEAB Cc1nn(C)cc1NC(=O)CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 19658844 VJPLICJDELUUEJ-HNNXBMFYSA-N 366.469 2.498 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H](N=c2nc(Cl)nc3[nH][nH]cc2-3)C1 604220533 ASIFIIHWLOOGHA-SECBINFHSA-N 352.826 2.191 0 40 FEAB COC(=O)c1ccc(CNC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 5532204 TVNONJSYPZACDF-UHFFFAOYSA-N 366.373 2.428 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cc(Br)ccc2O)no1 5742985 RYGYKGMJFUBEJG-UHFFFAOYSA-N 355.144 2.247 0 40 FEAB COc1cnc(N2CCC(COc3ccc4nc(C)c(C)n4n3)CC2)nc1 1888879115 MMBRIRQKHSCJNP-UHFFFAOYSA-N 368.441 2.440 0 40 FEAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CCC2=O)C1 238852137 JNRLDNAVGBGGCG-UHFFFAOYSA-N 363.417 2.319 0 40 FEAB Cc1nccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037988920 NKXGHQXJQPWRNA-HXUWFJFHSA-N 370.428 2.322 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 4250679 TVQHITVFUDGMDW-UHFFFAOYSA-N 371.828 2.429 0 40 FEAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)NCc4ccccc4)cc13)CC2 4745352 FDKWFUOEISBTPN-UHFFFAOYSA-N 354.431 2.345 0 40 FEAB O=C(Nc1onc2c1CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 8976378 ZIJVFTKZJGHDTL-UHFFFAOYSA-N 361.423 2.200 0 40 FEAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)n1 575611318 USMXMMXWFZQZQM-HNNXBMFYSA-N 372.450 2.176 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(c2ccc(C3CC3)nn2)CC1 575618555 CQDCAWGHHRWXFE-UHFFFAOYSA-N 362.430 2.004 0 40 FEAB COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 4274349 PKHGDMUXRWLSDZ-SECBINFHSA-N 367.452 2.447 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2ncsc2c1 10425690 PBOXJMTXSDYHRD-UHFFFAOYSA-N 372.450 2.281 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)NCCSc1ccccc1 32210430 ISZPFXDVWNDPGU-UHFFFAOYSA-N 354.435 2.090 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 32803345 TUMRZHGBWQWFHI-UHFFFAOYSA-N 358.417 2.399 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccn1 32973722 AJGSEWLTPSUFCB-SNVBAGLBSA-N 373.887 2.294 0 40 FEAB CCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccccc2)n1 22057156 WTZGQJMWSMRJCK-UHFFFAOYSA-N 357.395 2.217 0 40 FEAB COC(=O)[C@@H](NC(=O)N1CCc2c([nH]c3ccc(OC)cc23)C1)C(C)C 12296529 DTVHUSKROZMSJD-KRWDZBQOSA-N 359.426 2.442 0 40 FEAB biogenic COc1ccc(-c2nnn(CC(=O)Nc3cccc(C(C)=O)c3)n2)cc1 1224416 TUMMCLJTBDRLOQ-UHFFFAOYSA-N 351.366 2.190 0 40 FEAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 7940091 KVLIKDBCARVTKJ-HNNXBMFYSA-N 370.405 2.372 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCC1=CCCCC1 72406077 WQGNEMOPMAILRJ-INIZCTEOSA-N 365.499 2.480 0 40 FEAB C[C@H](NC(=O)c1ccncc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769363 QWPLVTOYVKOPEW-LBPRGKRZSA-N 367.409 2.215 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc12 55396089 MLKAEXNNJDXNJD-CQSZACIVSA-N 353.382 2.113 0 40 FEAB CS(=O)(=O)CCNC(=O)c1cccnc1SCc1ccc(F)cc1 56015357 CIEXPHCSLCPTMS-UHFFFAOYSA-N 368.455 2.287 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1OC 3227490 CYVSBDXTUOTGTN-UHFFFAOYSA-N 355.390 2.446 0 40 FEAB Cc1nn(C)c(C)c1CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 108420561 SMVINDHISVUMBE-IBGZPJMESA-N 369.513 2.024 0 40 FEAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnc2c(c1)c(C)nn2C 58168863 PGDXTQYTYZCIOG-INIZCTEOSA-N 350.378 2.021 0 40 FEAB COc1ccccc1CNC(=O)CCn1cnc2c(C)cccc2c1=O 12608744 PMWPNZRIRCGBCK-UHFFFAOYSA-N 351.406 2.420 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1O 100998030 BOSTVRLNGVRLQM-LJITYGPFSA-N 372.808 2.037 0 40 FEAB COC(=O)c1ccc2c(=O)n(CC3(N(C)C)CCCCC3)c(O)nc2c1 12740687 LKPZGHJZAFYWAB-UHFFFAOYSA-N 359.426 2.153 0 40 FEAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNC 2266380 HTAMIFSQQGZXCY-UHFFFAOYSA-N 354.204 2.265 0 40 FEAB O=C(c1ccncc1F)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108529623 OWXPEYDRUXXXJQ-AWEZNQCLSA-N 371.416 2.277 0 40 FEAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051237 LUOSVPXRIPHXIB-UHFFFAOYSA-N 357.428 2.050 0 40 FEAB Cc1cc(C(=O)Nc2cnn(Cc3ccccc3F)c2)n2ncnc2n1 36618950 WGCWHJZLMZDETA-UHFFFAOYSA-N 351.345 2.069 0 40 FEAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1N1CCCC1=O 11446056 KRNBWDPDKPBGSI-GFCCVEGCSA-N 371.393 2.172 0 40 FEAB O=C(O)C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 13425652 LQXSUHPUYTUOGW-UHFFFAOYSA-N 350.802 2.404 0 40 FEAB O=C(N[C@H]1CCCNC1=O)c1csc(COc2ccc(Cl)cc2)n1 64098781 XTSRQOIHHHIOGD-LBPRGKRZSA-N 365.842 2.384 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140095 HLPWLINRRWMYGI-XJKCOSOUSA-N 365.311 2.186 0 40 FEAB CN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1nc(=O)c2ccccc2[nH]1 14095720 MHKOBBMLJUTETC-UHFFFAOYSA-N 365.437 2.060 0 40 FEAB O=C(CNC(=O)NCc1ccc(F)cc1)NCCc1c[nH]c2ccccc12 14114067 QWHNRHCAQGAXEY-UHFFFAOYSA-N 368.412 2.465 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1OC 14202415 WJWRMDXSKYFSME-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB CCOc1ccc(N(CC(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 113937066 HJLGUGPKPYWOLI-UHFFFAOYSA-N 366.414 2.166 0 40 FEAB Cc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CCS(=O)(=O)C2)o1 6810291 VLLQYUQBFFXFFK-HNNXBMFYSA-N 363.435 2.183 0 40 FEAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4943342 GDQDQRONRRFJRC-ZDUSSCGKSA-N 367.405 2.176 0 40 FEAB COc1ccc(Cl)cc1COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 7064174 GOAREYZBESYNKU-UHFFFAOYSA-N 374.780 2.095 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000406 NZECINNZVGOEBL-CQSZACIVSA-N 368.503 2.458 0 40 FEAB C[C@@H](NCc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1 90778725 UOLLHBWFOLBXOA-CYBMUJFWSA-N 366.458 2.419 0 40 FEAB O=C(c1ncccn1)N1CC2(C[C@@H](CCOCc3cccnc3)CCO2)C1 306138117 RPQPHTHYNRGWIN-INIZCTEOSA-N 368.437 2.100 0 40 FEAB CCOc1ccccc1OCC(=O)OCC(=O)NCCc1ccccc1 8139175 IYVMJOQUEWYROQ-UHFFFAOYSA-N 357.406 2.366 0 40 FEAB CC[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)on1 16753729 UUAMIWRITDYPBO-CQSZACIVSA-N 355.350 2.399 0 40 FEAB COc1ccc2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)c(C)nc2c1 8329092 BOMYWXDMTDYLMC-HNNXBMFYSA-N 358.394 2.004 0 40 FEAB Cc1cc(C(=O)NN2CCOCC2)c2c(C)nn(-c3ccccc3)c2n1 17072878 INTRMYSTZNDIEC-UHFFFAOYSA-N 351.410 2.014 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 95452039 CYPQQUHJHXLTMT-SUMWQHHRSA-N 372.469 2.286 0 40 FEAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCO1 9854239 CNQLYKLTAKAVQI-HNNXBMFYSA-N 374.462 2.026 0 40 FEAB CCN(CCNS(=O)(=O)CC1(CC(=O)OC)CC1)c1cccc(C)c1 72313158 IZUNQAWHFJZACN-UHFFFAOYSA-N 368.499 2.084 0 40 FEAB COCc1noc(CN2CCN(Cc3c(F)cccc3Cl)CC2)n1 95464557 RZBAGBAYRUIJOW-UHFFFAOYSA-N 354.813 2.326 0 40 FEAB CC1(C)CN=C(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)S1 75109978 DZHSSCSVOHMSQJ-UHFFFAOYSA-N 353.513 2.015 0 40 FEAB O=C(NCc1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 29676706 IEWLOTMRHKEALZ-UHFFFAOYSA-N 354.439 2.118 0 40 FEAB CN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 409191033 YYYNXHALDRYIJU-XNTDXEJSSA-N 369.352 2.366 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)OCCCO3)cc1 31530084 HNLHXPQOEHULSC-UHFFFAOYSA-N 354.406 2.480 0 40 FEAB OC[C@@H]1CCCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 72340133 XSZBDNCITPVJBP-CQSZACIVSA-N 351.410 2.398 0 40 FEAB N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@H]12 38339221 NYYBPASOTOAXQW-QFBILLFUSA-N 366.442 2.446 0 40 FEAB O=C(Cc1cccs1)OCC(=O)N1CCN(c2ccccc2F)CC1 72330855 NMLHOOGMHNPJES-UHFFFAOYSA-N 362.426 2.322 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225099523 SMQPYCURUBGFJP-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223571691 QZLKYTUGVFDKMN-ROUUACIJSA-N 368.462 2.489 0 40 FEAB CCOC[C@H]1CN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CCO1 529064343 PCSAGCLCNCPDSX-LLVKDONJSA-N 368.484 2.266 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224295215 ZHSHGHRVNLMNDO-UHFFFAOYSA-N 350.444 2.359 0 40 FEAB CCCCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 41085508 ZGICIPADKAYPLC-UHFFFAOYSA-N 372.472 2.471 0 40 FEAB CN(Cc1cccnc1)C1CC2(CCN(C(=O)c3cnccn3)CC2)C1 96159251 WREPOZUGPHCHEH-UHFFFAOYSA-N 351.454 2.388 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107403 IZLISJMXEKJEFC-BEFAXECRSA-N 357.385 2.458 0 40 FEAB CCN1CC[C@]2(CN(C(=O)C3CCOCC3)C[C@H]2c2ccccc2)C1=O 96201881 BUAHVFJIIIMASW-GHTZIAJQSA-N 356.466 2.278 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218930 ZJTGZHPZMKJOOU-DAYGRLMNSA-N 355.394 2.398 0 40 FEAB CN1C[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)CC[C@H]2S1(=O)=O 96145585 WFTSVWDQPWGBMV-BXUZGUMPSA-N 357.863 2.228 0 40 FEAB Cc1cccc(COC[C@H]2CN(C(=O)c3ocnc3C)Cc3cncn32)n1 248073480 ZDGMYZBHUFVENH-QGZVFWFLSA-N 367.409 2.297 0 40 FEAB CN(Cc1ccccc1)C(=O)Cc1noc([C@H]2CCc3cnn(C)c3C2)n1 585084402 WPGZBNCDEOMUIZ-HNNXBMFYSA-N 365.437 2.277 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245229992 JMAYTTKKIKIUGQ-NPSOMJIGSA-N 364.467 2.116 0 40 FEAB Cc1ncc(CN2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 257271460 MYKRVMFFWXPFLG-QGZVFWFLSA-N 368.466 2.459 0 40 FEAB CC(=O)N1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 257267455 MHKHNSUVUHEHOS-SFHVURJKSA-N 360.483 2.480 0 40 FEAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)c1 257311646 UKLJEPZTVLLXFB-SFHVURJKSA-N 355.394 2.374 0 40 FEAB CCOCCCC(=O)N1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 1775991539 KMUPBTVJXVNEEW-IBGZPJMESA-N 356.507 2.219 0 40 FEAB Cc1cc(-n2ccnc2)ccc1CN(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 1775960259 BJWWLAHAJRCVAE-QZTJIDSGSA-N 352.442 2.303 0 40 FEAB C[C@H]1CN(C(=O)Nc2cnn(C)c2-c2ccccc2)C[C@H](C)S1(=O)=O 289556078 AAGHMXYIOQYSSQ-STQMWFEESA-N 362.455 2.126 0 40 FEAB O=C(Nc1ccc(-n2ccc(O)n2)cc1)[C@H]1CCc2nnc(C3CC3)n2C1 629380681 UJAAXPZIGXWPIK-ZDUSSCGKSA-N 364.409 2.248 0 40 FEAB O=C(O)[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)[C@H]1CCCO1 630424715 XWOMYZSPRLXXBU-SJORKVTESA-N 361.419 2.264 0 40 FEAB O=C(CCc1nc(-c2cccs2)no1)N1CCN2CC(F)(F)C[C@H]2C1 648937465 WVXZLDYBPZPELJ-NSHDSACASA-N 368.409 2.283 0 40 FEAB Cc1cccc(-n2cnc3cc(C(=O)N4CCOC[C@@H]4C(=O)O)ccc32)c1 659126445 HIABBEZRZMATFH-GOSISDBHSA-N 365.389 2.260 0 40 FEAB O=C(NCc1cccc(C(=O)O)c1)N[C@@H]1CCN(C2CCCCC2)C1=O 666536587 BOLLRPOAOMMKFF-MRXNPFEDSA-N 359.426 2.118 0 40 FEAB O=C(NCCS(=O)(=O)C1CC1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 685939089 ZPRDKILPLCZSTE-ZDUSSCGKSA-N 372.437 2.431 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)NC1CCCCCCC1 84409121 YJEHWPAKTOEUPJ-QGZVFWFLSA-N 363.458 2.191 0 40 FEAB CN(C)C(=O)N1CCC(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)CC1 78593569 MRSQLISBCGCTFA-LJQANCHMSA-N 369.465 2.383 0 40 FEAB CC(C)CNC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 5059034 PVGVCIRIHXFMSU-UHFFFAOYSA-N 360.805 2.014 0 40 FEAB O=C1NCC2(CCC(C(=O)N[C@@H]3CCCOC3)CC2)Oc2ccccc21 12086821 XOMYTBUGPNIAIU-RDYUPDBUSA-N 358.438 2.033 0 40 FEAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCCc3ccco3)c(=O)c21 12183674 WJRVSVUTCYLSBZ-UHFFFAOYSA-N 368.393 2.224 0 40 FEAB Cc1nnc2ccc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nn12 13700430 YADGSDVEFANBJE-UHFFFAOYSA-N 373.367 2.065 0 40 FEAB O=C(NCc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 17124810 IGOCREUNGBXQSZ-UHFFFAOYSA-N 353.422 2.490 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19292208 PDXFXIUIKHFJFB-ZDUSSCGKSA-N 353.426 2.008 0 40 FEAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NC)C1 19499004 UKZCNRRNOFUXPI-OAQYLSRUSA-N 367.449 2.045 0 40 FEAB Cc1ncncc1C(=O)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19552971 RXRPNMFGYCHSDM-GFCCVEGCSA-N 357.395 2.110 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1nonc1N 19712920 QREFAYKUMFHUGA-ZACQAIPSSA-N 369.469 2.352 0 40 FEAB O=C(O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CN1CCCCCC1=O 621581017 GGVPVGHHSZWPCG-HZPDHXFCSA-N 350.459 2.271 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 575609215 ZBDVIUVAQDZYQE-DVVUODLYSA-N 364.250 2.159 0 40 FEAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 6883754 SNMSFYVCUROAPM-KSVHXXFXSA-N 361.486 2.428 0 40 FEAB CSc1nccc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1888890346 MYPBMRFZAPUNLM-UHFFFAOYSA-N 353.455 2.172 0 40 FEAB Cc1nnc2ccc(N3CCN(c4nsc5ccccc45)CC3)nn12 1888921890 TXUWYUSISIJMMF-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB CCN=c1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)[nH]1 1889119513 FRIIPQOTZXCACA-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1ccc2c(c1)OCO2 1889223385 GNARACRTKLBTHP-LLVKDONJSA-N 374.343 2.476 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565544476 LSZKJGPOENEQET-DZGCQCFKSA-N 365.437 2.354 0 40 FEAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 9870185 AIKZXBZYDCCSFU-MRXNPFEDSA-N 373.453 2.180 0 40 FEAB O=C(NCc1noc2c1C[C@H](Nc1ncccn1)CC2)C1CC(F)(F)C1 2055731763 SVKRPTRYRWSSHW-LLVKDONJSA-N 363.368 2.096 0 40 FEAB CN1C[C@H]2CC[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 245224399 WBAZKXNBWFVTFI-QWHCGFSZSA-N 371.412 2.457 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1C 35876737 IFJRSYFVCMLTAZ-BEFAXECRSA-N 351.450 2.461 0 40 FEAB Cc1ccc(-c2nc(CC(=O)N3CCN(c4cnccn4)CC3)cs2)o1 40079915 INYFUINJSZERGD-UHFFFAOYSA-N 369.450 2.393 0 40 FEAB O=C(NCc1ccccc1Cn1cncn1)c1cncc(Br)c1 40081401 ILVLAJXGOBBELE-UHFFFAOYSA-N 372.226 2.414 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1cccc(OC(F)F)c1 50378947 OUHIHYLPXWQZRG-UHFFFAOYSA-N 359.332 2.314 0 40 FEAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1Cc2ccccc2O1 31582157 AXJKZJGJAJSDEO-GOSISDBHSA-N 354.406 2.486 0 40 FEAB Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1Cl 2724088 VQGANXZKDRKOFD-UHFFFAOYSA-N 368.846 2.354 0 40 FEAB O=C(NCCNC(=O)C1CCCCC1)Nc1ccc(N2CCCC2)nc1 79581194 IWFXMKWKJSUMQL-UHFFFAOYSA-N 359.474 2.500 0 40 FEAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 47432489 YDWQASRZBIHCQA-UHFFFAOYSA-N 365.389 2.297 0 40 FEAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(N(C)C)cc1 4858531 NNQGVLAFGABBSC-JLYLLQBASA-N 358.486 2.213 0 40 FEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6948559 GQJSUSPGTQGIIV-ZSOIEALJSA-N 362.407 2.320 0 40 FEAB COc1ccc(NC(=O)CN2CCN(CCc3ccccc3)CC2)cc1 22914804 DZKKKPWLLZDQTI-UHFFFAOYSA-N 353.466 2.494 0 40 FEAB Cc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 803374 ZANJJXWKPKXDQO-UHFFFAOYSA-N 358.463 2.346 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(-n2cnnn2)c1 8285135 MKUUJABQGFQVDB-UHFFFAOYSA-N 370.800 2.026 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C(C)=O)c1 24350309 MLJDPRYRJVEHKZ-UHFFFAOYSA-N 359.403 2.427 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(N2CCCC2=O)c1 28730416 KVNFPLPRAFGSGV-UHFFFAOYSA-N 352.350 2.204 0 40 FEAB O=C(CCN1CCOC1=O)NCc1cccc(OCc2ccccn2)c1 55257647 CKDTXOVKLWRRJA-UHFFFAOYSA-N 355.394 2.119 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2)CCC1 106523669 DWURVNCYHAPDFI-ILRDRHFLSA-N 364.445 2.032 0 40 FEAB CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 25386212 RDOQRHZOFQIHJP-MRXNPFEDSA-N 355.394 2.081 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1F 101113677 MRWTVFUJJFYFLS-CJLVFECKSA-N 356.357 2.248 0 40 FEAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426466 TYOYVTLURHLZDP-UHFFFAOYSA-N 357.435 2.271 0 40 FEAB COc1ccc(CCNC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 22540561 PKXUQUBXQCHIOK-ZDUSSCGKSA-N 374.412 2.379 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)s1 48235729 FHNGLPRPBDXNPQ-UHFFFAOYSA-N 364.370 2.344 0 40 FEAB COc1ccc(Cl)cc1NCCC(=O)N1CCCN(C(C)=O)CC1 58210636 DVRQAMMQNGQHHV-UHFFFAOYSA-N 353.850 2.231 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)N(C)C)cc1 58209588 DCQDKKOGUHMWSG-AWEZNQCLSA-N 354.410 2.166 0 40 FEAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1 175929691 SKJLQOJDSCPJSN-INIZCTEOSA-N 353.894 2.251 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(c2ncc(Br)cn2)CC1 36395828 WGHGRDZXIIDMKK-LBPRGKRZSA-N 351.248 2.244 0 40 FEAB O=C([C@@H]1CCCN(Cn2ncc3ccccc3c2=S)C1)N1CCOCC1 12943047 NNWCCFXLMPDAKZ-MRXNPFEDSA-N 372.494 2.294 0 40 FEAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 70916802 AYHIDTHQFSMCIY-UHFFFAOYSA-N 356.426 2.190 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6049508 BCEIBUPUOBKLNJ-RBSFLKMASA-N 373.453 2.105 0 40 FEAB CCOc1ccccc1-n1nnc(C(=O)NCc2ccccc2OC)c1N 8991886 SPJQEFUOQPYTAN-UHFFFAOYSA-N 367.409 2.187 0 40 FEAB Cc1cc(Br)cnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 301515220 CMGXKVMXFRSZPT-CYBMUJFWSA-N 368.275 2.228 0 40 FEAB CN(Cc1cccc(Cl)c1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14071049 RLAGNTDBDTVQSM-UHFFFAOYSA-N 357.797 2.002 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1 14016625 VKDIQCSVQMRRCP-UHFFFAOYSA-N 368.842 2.057 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)OCc2nc3ccccc3s2)CC1 19427130 HNLIVTFJJTVZPE-UHFFFAOYSA-N 368.480 2.401 0 40 FEAB COc1ccc(CCNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 14122843 LCPDAVQASHIQSI-UHFFFAOYSA-N 371.368 2.010 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3cccs3)CC2)c1C 14185304 OWLICVBAOKPKSS-UHFFFAOYSA-N 361.467 2.438 0 40 FEAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(F)c3)[C@@H]4C2=O)no1 9184040 QHAUMDGSWYJDRN-NVQRDWNXSA-N 369.352 2.047 0 40 FEAB Cc1ccccc1N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 7185367 VINMTYRIQCWXCU-UHFFFAOYSA-N 351.406 2.252 0 40 FEAB COc1ccc(CN2CCC(CNC(=O)CCn3cccn3)CC2)cc1 68801182 SDKZLIUMCIIQMP-UHFFFAOYSA-N 356.470 2.310 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)c2cncn2-c2ccccc2)ccc1C 8135484 SGECDWIHVMQEAZ-UHFFFAOYSA-N 370.434 2.341 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H](c1ccccc1)n1cnnn1 72402176 NOYQINSZIVKTGC-SFHVURJKSA-N 364.384 2.242 0 40 FEAB Cc1ccc(-n2cnnc2SCC(=O)N2CCCN(C)CC2)cc1C 97027363 UFQIYTJMWFYGAV-UHFFFAOYSA-N 359.499 2.140 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(c2cccc(F)c2)=NO1 84549324 ZSEDOMPJGXNPRR-MAUKXSAKSA-N 367.380 2.240 0 40 FEAB COc1ccc([C@H](O)CNC(=O)Nc2ccnn2Cc2ccccn2)cc1 95446402 KEZVTXHZBKIMDM-QGZVFWFLSA-N 367.409 2.190 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N2CCSc3c2c(C)nn3C)c1 95405646 MEKYZIBMGWHZFU-UHFFFAOYSA-N 369.468 2.047 0 40 FEAB O=C(O)c1cn(C2CN(C(=O)c3sccc3-c3ccccc3)C2)nn1 95962981 QXKVGZUPZMQWHE-UHFFFAOYSA-N 354.391 2.402 0 40 FEAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1 75094462 BHDZQDFLNJCFMY-HNNXBMFYSA-N 357.439 2.228 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)[C@@H]1CO 89929851 KINRRRZPAGUWKN-FIXISWKDSA-N 359.875 2.445 0 40 FEAB CCCN(CCC)CCCNC(=O)C(=O)Nc1ccc(OC)cc1OC 408723886 YGZKIXXDOPLVEV-UHFFFAOYSA-N 365.474 2.271 0 40 FEAB O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCC(NC2CCOCC2)CC1 1520562056 OXQUSSAFPWGOJK-UHFFFAOYSA-N 354.454 2.450 0 40 FEAB Cc1nc(CNC(=O)Cc2nnc(O)c3ccccc23)nc2ccccc12 523997167 NYDNNNMZSHVZOE-UHFFFAOYSA-N 359.389 2.446 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 72254491 JEPYPKLUPQRKHC-UHFFFAOYSA-N 359.474 2.362 0 40 FEAB C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 72348168 KJIXZEHJTYWXJD-PTGCCPEKSA-N 360.502 2.216 0 40 FEAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCSc3ncn[nH]3)c2)n1 225914464 WTNIXOKUOZKROT-UHFFFAOYSA-N 369.454 2.477 0 40 FEAB COc1ccc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1F 225784465 CFCMZWZJPCCQSW-UHFFFAOYSA-N 371.343 2.180 0 40 FEAB COCc1nn2c(=O)cc(COC(=O)c3ccccc3Cl)nc2s1 41077304 VYQSNVOONSWHCA-UHFFFAOYSA-N 365.798 2.308 0 40 FEAB COc1cc(C(=O)Nc2cnc(N3CCCC3)nc2)cc(OC)c1OC 224246643 XWLOVAHVOBEETK-UHFFFAOYSA-N 358.398 2.355 0 40 FEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1 226860723 IPBULAXXSVUTMP-UHFFFAOYSA-N 371.754 2.243 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2cn[nH]n2)sc2c1CCC2 95482019 LTOCPPYUGOTYCT-UHFFFAOYSA-N 352.441 2.262 0 40 FEAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCCN(c2ncccn2)C1 96115639 TZKYNUNTCGQBNH-RCCFBDPRSA-N 357.502 2.074 0 40 FEAB biogenic O=C1CO[C@@]2(COCCN(Cc3ccoc3)C2)CN1c1ccc(F)cc1 96051296 AOMNHWJMYVNSKX-LJQANCHMSA-N 360.385 2.053 0 40 FEAB CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181669 CUSHWRHSQWHSBQ-IAGOWNOFSA-N 362.426 2.444 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2 96221310 VMQVOYGYTLGNBY-KRWDZBQOSA-N 352.438 2.281 0 40 FEAB Cc1cccc([C@H](O)[C@](Cl)(I)S(C)(=O)=O)c1 96520033 OGQNWPFZVBTHRB-UWVGGRQHSA-N 374.627 2.401 0 40 FEAB COC[C@@H]1CN(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC(C)(C)O1 579385190 MPFYHJFKAVKEEP-HNNXBMFYSA-N 359.426 2.196 0 40 FEAB COc1ccc(NC(=O)CCc2nc(CSc3nc(C)n[nH]3)no2)cc1 95481941 MPIHQFFCLJYPGE-UHFFFAOYSA-N 374.426 2.368 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)ncn1 248121989 NIJGCWSVVANUBK-QGZVFWFLSA-N 369.469 2.140 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247734669 JWVCLPJORZDPBR-QGZVFWFLSA-N 372.396 2.439 0 40 FEAB O=C(c1ccncn1)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 247890058 YJQOQCZJCWPTJZ-MRXNPFEDSA-N 368.437 2.352 0 40 FEAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Cc4[nH]ncc4C)C3)cc2n1 257312494 UOEXLNNRJCVCHU-OAHLLOKOSA-N 352.442 2.473 0 40 FEAB Cc1nc2cc(CCC(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)ccc2[nH]1 257322054 WEKOZPZJGGFXHA-YVWKXTFCSA-N 367.453 2.190 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257293254 QOSSJDIDRZBTDD-KRWDZBQOSA-N 353.488 2.102 0 40 FEAB Cn1cncc1CN1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 257336963 YQUXPFMKARVPAL-CQSZACIVSA-N 350.430 2.123 0 40 FEAB Cc1cc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)nc(C)n1 257251555 JRFVYKCYRRUWDC-GOSISDBHSA-N 357.410 2.130 0 40 FEAB Cc1cc(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)nn1C 1775972047 BKPTTXOUHUKXRV-NSHDSACASA-N 365.231 2.180 0 40 FEAB C[C@@H]1OCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]1C(F)(F)F 622985135 MISGLXDUZNUBJT-NOLJZWGESA-N 370.371 2.213 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2nnc(C)n2c1 623787766 GOVAZNCNJFTKMA-UHFFFAOYSA-N 364.453 2.350 0 40 FEAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 96122034 XWMSXHSJHMLZCT-UHFFFAOYSA-N 371.524 2.009 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575406679 ZRNDPXVOWVFBRZ-INIZCTEOSA-N 368.499 2.209 0 40 FEAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@H]12)C1CC(O)C1 585109732 MKEAQGHYJIKUIX-ZUWLNOFUSA-N 369.490 2.301 0 40 FEAB CCOc1ccc(CC(=O)NC[C@H](O)c2ccc(OC)c(OC)c2)cc1 170203869 FZGXLHZANTZALD-KRWDZBQOSA-N 359.422 2.495 0 40 FEAB O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 56993633 FTTSMDXSIQEZMY-UHFFFAOYSA-N 352.482 2.409 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C[C@H](C)C[C@@H](C)C1)n2CC 58019514 YZBQVJMGQSXJOG-ZIAGYGMSSA-N 361.490 2.184 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C/C=C/c1ccccc1OC 1775956942 CTMHUXLBFXEBPR-GFXFGIRVSA-N 358.442 2.487 0 40 FEAB C[C@H]1NCCn2c(C(=O)NCCc3nc4c(F)cccc4n3C)ccc21 1521482530 PBAKAUQCHDWZGP-GFCCVEGCSA-N 355.417 2.151 0 40 FEAB CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@@H]2CCCN2)n1 19759816 VRGYEMDGPOGKLM-KRWDZBQOSA-N 353.470 2.452 0 40 FEAB CNCc1cc(NC)nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19760386 IIMFVTHFCVVRKK-INIZCTEOSA-N 372.448 2.152 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549161133 DNHAQQYZIBKIJX-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB COc1ccc(OC)c(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)c1 5045733 LSKXZIHKYHJXDZ-GOSISDBHSA-N 362.470 2.211 0 40 FEAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4CCCO4)nn3cn2)cc1 12085161 SZNMEMISJLVCLU-LRDDRELGSA-N 367.409 2.156 0 40 FEAB O=C(OCc1nc(-c2ccsc2)no1)c1ccc(N2CCOCC2)nc1 14803501 DKSZAFTYCMKYHV-UHFFFAOYSA-N 372.406 2.387 0 40 FEAB CCOc1ccc(-n2c(NN)nc3cc(OC)c(OC)cc3c2=O)cc1 15424591 YTVYOBYQMGCDQQ-UHFFFAOYSA-N 356.382 2.087 0 40 FEAB COc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19458441 MMHMZBBBRLXLGI-CYBMUJFWSA-N 364.405 2.260 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233551 WUXYIRNGRZYWIF-DZGCQCFKSA-N 353.426 2.099 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 3008192 FPFJGNVVGJROQP-HNNXBMFYSA-N 372.918 2.451 0 40 FEAB COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 7365092 OYBHTEKQPILVMS-UHFFFAOYSA-N 362.407 2.445 0 40 FEAB Cn1c(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc(Cl)c1Cl 12985678 PFVVXTBMBRXSFG-UHFFFAOYSA-N 374.180 2.108 0 40 FEAB COCCN1C(=O)CN(C2CCN(c3nc4ccccc4s3)CC2)C1=O 1888869940 OXMGVKOANJCYFE-UHFFFAOYSA-N 374.466 2.176 0 40 FEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C[C@@H](C)O1 16229169 HLCZTLRNWUVAGV-CHWSQXEVSA-N 364.423 2.330 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cncnc3C)C2)cc1C 2037912924 DMQDMKXPIWZCMA-FQEVSTJZSA-N 355.438 2.448 0 40 FEAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 4038994 AUDUOJRQQZETPZ-NHAYFPRASA-N 362.422 2.196 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NC[C@H]1COC2(CCCCC2)O1 4941260 OBLDDFSBRMPQAJ-ZDUSSCGKSA-N 359.419 2.188 0 40 FEAB O=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2c1cnn2CCO 7418057 OCTHZOGDQUZFRK-UHFFFAOYSA-N 370.356 2.423 0 40 FEAB CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(OC)cc1 40478695 IIMOHWSFUQEABW-UHFFFAOYSA-N 351.406 2.284 0 40 FEAB Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)nc2n1 31565920 CZXIRTGPXMEEPU-QGZVFWFLSA-N 364.453 2.136 0 40 FEAB CCn1c(SCCn2nc3ccccn3c2=O)nc2ccsc2c1=O 31851856 QGPGCYZYVJCFMC-UHFFFAOYSA-N 373.463 2.080 0 40 FEAB CCn1nnc2cc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)ccc21 21052032 LOGAUXFGPCDKQZ-ZIAGYGMSSA-N 359.474 2.069 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCC2)cc1 102966263 ANUXVZBHSMGEOA-CALCHBBNSA-N 353.422 2.177 0 40 FEAB O=C1O[C@@H]2OCCC[C@H]2[C@@H]1Nc1ccc(I)cc1 103020834 RUGCJKMJTDYEOK-GVXVVHGQSA-N 359.163 2.381 0 40 FEAB Cc1nnc2ccc(NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nn12 77291966 OHJBZCSZPFZSIO-INIZCTEOSA-N 356.405 2.057 0 40 FEAB COc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)ncn1 646697 PIKABPOIIZRIOO-UHFFFAOYSA-N 356.260 2.294 0 40 FEAB CC(=O)N[C@H](CC(=O)OCC(=O)NCCc1ccccc1)c1ccccc1 4220308 VQNAMQZQJHYXAR-LJQANCHMSA-N 368.433 2.156 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6764365 MGMSYISBMQMPMW-PDOICOKGSA-N 350.374 2.200 0 40 FEAB CN1C(=O)N(CC(=O)OCC(=O)c2ccccc2)C(=O)C12CCCCC2 24230527 IWXQWDGTDOURFR-UHFFFAOYSA-N 358.394 2.009 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c1 51356972 NCCOOEMQKZPASD-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB CC(=O)N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 12530078 OCQDJPMLEVHPGK-KRWDZBQOSA-N 358.417 2.023 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(N2CCCCC2=O)c1 55662201 AYCOATSRYAPASP-CQSZACIVSA-N 369.421 2.231 0 40 FEAB CCNC(=O)NC(=O)[C@H](OC(=O)c1cc(OC)ccc1O)c1ccccc1 26018303 WMKGHSGFKAZHBQ-MRXNPFEDSA-N 372.377 2.145 0 40 FEAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc(-c3ccccc3)nc3ncnn13)C2 102449117 WSXJLZFFQUOKOJ-HZPDHXFCSA-N 362.437 2.146 0 40 FEAB O=c1c2ccccc2nnn1C[C@H](O)CO[C@@H]1CCCc2ccccc21 58014243 VYTYKRSBHZCQRE-HNAYVOBHSA-N 351.406 2.247 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)OC 12752025 BTWWNOKEBNNDJO-SKDRFNHKSA-N 359.831 2.042 0 40 FEAB CC(C)COCCC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58264462 FZYCFNYRQPYHDL-SFHVURJKSA-N 352.450 2.378 0 40 FEAB CCC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2154823 RVKHMPRQGMIINT-AWEZNQCLSA-N 361.394 2.418 0 40 FEAB biogenic CN(Cc1ccccc1)Cc1cc(CC2(NC3CCOCC3)COC2)no1 67898130 IQYOJGLSZLRCRI-UHFFFAOYSA-N 371.481 2.387 0 40 FEAB biogenic,in-vitro CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccc2cccnc12 2222526 XKTUUHUXDFOLTA-KRWDZBQOSA-N 368.418 2.266 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1-n1cnnn1 36360847 FVRQPFUQTNFZCF-UHFFFAOYSA-N 365.802 2.125 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 107908933 YZZMNEQAOLKWMR-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)n1 100113250 DTNSRNFFBSGRMH-KYJSFNMBSA-N 371.412 2.149 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 22056617 FCJXLDFVMXBQDF-SJLPKXTDSA-N 361.486 2.492 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nnc2n1CCCCC2 45570058 QUBDEYFKIBCNDL-UHFFFAOYSA-N 371.441 2.465 0 40 FEAB CC(=O)N(CCCNC(=O)Cc1ccc(N2CCCC2=O)cc1)C(C)C 48316841 BMIUTKFSHGZQIU-UHFFFAOYSA-N 359.470 2.119 0 40 FEAB CC[C@@H](Sc1nnc(NCCOC)s1)C(=O)Nc1cc(C)on1 12878715 YNLFBFDPFKORLE-SECBINFHSA-N 357.461 2.402 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 3400355 BBFVLRLMZWIKNN-NSHDSACASA-N 359.455 2.471 0 40 FEAB COc1cccc(Nc2nnc(SCC(=O)N3CCOCC3)s2)c1 3439610 YICXEJXLWMBDHL-UHFFFAOYSA-N 366.468 2.241 0 40 FEAB Cn1cc(N2CC[C@@H](N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2=O)cn1 84318601 ZKOZVGQXHUHSEO-KBXCAEBGSA-N 364.453 2.281 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 29837615 KZDBHQOAXVOYQS-QGZVFWFLSA-N 365.477 2.370 0 40 FEAB O=C(COC(=O)c1ccc2ncsc2c1)NC(=O)NCc1ccco1 2627928 HQYOJEQCSTYLIT-UHFFFAOYSA-N 359.363 2.072 0 40 FEAB CCOc1cc2c(c3[nH]c(C(=O)N4CCC(C(N)=O)CC4)cc13)O[C@H](C)C2 65492137 MTVDTCQJSYLPMP-LLVKDONJSA-N 371.437 2.228 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 6328994 RBRFGPOVNPKJTG-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 14137133 BWLIMCIXMBTRRQ-GOSISDBHSA-N 353.422 2.057 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)cc1 5484080 DBRPLXICKVKMBF-MRXNPFEDSA-N 353.382 2.182 0 40 FEAB CCOC(=O)Cn1nc(C)c(NC(=O)Cn2nc(C)c(Cl)c2C)c1C 4745711 GFNSYFVWVTYINB-UHFFFAOYSA-N 367.837 2.168 0 40 FEAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)[nH]c2c1 67158775 QLQVKUPITKKUQS-KBPBESRZSA-N 361.467 2.012 0 40 FEAB Clc1ccc2nc(CSc3nnnn3C[C@H]3CCCO3)cn2c1 7119112 JXCHHBFBHZPZKT-GFCCVEGCSA-N 350.835 2.446 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sccc2c1=O 7495470 XDGYIPCBBQNIJX-LLVKDONJSA-N 368.418 2.222 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(C)cc2)n1 9498602 WVOJKBOVWRUILK-UHFFFAOYSA-N 362.407 2.353 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 16024739 MNPRGBHSSXXPMF-UHFFFAOYSA-N 363.417 2.499 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)N1CCOCC1 8052448 MINSBPJJVGMIND-HNNXBMFYSA-N 364.467 2.311 0 40 FEAB C[C@@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)CN1CCCC1=O 84638372 DDCHLIPERPXTQN-UONOGXRCSA-N 372.469 2.190 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 8756339 MTLDJAHLYJJGKM-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CCc1ccc(S(=O)(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)cc1 83825237 VNOLUJZHXXLNDB-KRWDZBQOSA-N 367.492 2.313 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)cc1 9668517 CWOZOZFKRWOHFY-DZGCQCFKSA-N 362.426 2.075 0 40 FEAB Cc1ccc(N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 409412372 VLHRGUGNMBZNEF-HNNXBMFYSA-N 356.488 2.081 0 40 FEAB Cn1cc(/C=C/C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cn1 29372690 KPILOVKJJYFVAN-MDZDMXLPSA-N 366.465 2.082 0 40 FEAB CCC[C@@H](C(=O)OCC)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C 65748393 BSZZSBSELAVBAG-QXKUPLGCSA-N 350.459 2.109 0 40 FEAB in-vitro C[C@@H]1CCN(c2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)ccn2)C1 517323321 TVTVIMYRYBJPQG-CYBMUJFWSA-N 363.425 2.038 0 40 FEAB CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 30583903 ABPJVWNFGRCZMI-YHVDPYDOSA-N 366.483 2.029 0 40 FEAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(F)cc2)cc2c(O)nnc1-2 524732406 ZRIZFGSDZVWGPS-ZDUSSCGKSA-N 359.313 2.078 0 40 FEAB CCCN1C(=O)N/C(=C/c2ccc(O)c(I)c2)C1=O 409251651 VJLWTQUZJZTZCJ-JXMROGBWSA-N 372.162 2.300 0 40 FEAB CCOc1cc2c(cc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1)OCO2 72395124 OCEYNQSTGVSCKK-GDBMZVCRSA-N 360.410 2.458 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)NCc1nn(C)c(Cl)c1Cl 36614816 POQYWBGBSRGWHX-UHFFFAOYSA-N 374.200 2.105 0 40 FEAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(CCc2ccccc2)CC3)C[C@@H](C)O1 72335560 KQXAHCMYRGGPLN-HZPDHXFCSA-N 368.481 2.397 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccncc1)C2=O 36661926 GFRCRSKQZPURHM-YYFZDKIDSA-N 370.453 2.246 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 72347543 YZMPROWQYRYQFF-FQEVSTJZSA-N 368.437 2.398 0 40 FEAB CS(=O)(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 225950229 VDMWXVCWNJZBCF-AWEZNQCLSA-N 356.831 2.230 0 40 FEAB COc1ccc(CN(C)C(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 226040359 KRXGYUYKSSAQBF-UHFFFAOYSA-N 368.499 2.248 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3Oc4cc(F)ccc4C(=O)N(C)[C@@H]3C2)cc1 514290317 XOHUCCGAOGLTFC-AEFFLSMTSA-N 370.380 2.192 0 40 FEAB biogenic,in-vitro COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCc2nc(C)no2)cc1 583616241 ZASLTSUKSAXZMR-APWZRJJASA-N 359.426 2.218 0 40 FEAB COC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1 257318406 VNUGSVYBCUTCPV-WFASDCNBSA-N 368.861 2.236 0 40 FEAB Nc1nccnc1[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 257267292 MGQAVRFXXMSHEI-MRXNPFEDSA-N 351.410 2.073 0 40 FEAB COc1ccccc1[C@H]1C[C@@H](NC(C)=O)CC2(CCN(C(C)=O)CC2)O1 257204966 AXBNVQGCWLKRBC-VQIMIIECSA-N 360.454 2.433 0 40 FEAB Nc1ncc(-c2ccc([C@H]3CCCCN3CC(=O)N3CCCC3)cn2)cn1 257244614 IMCLTWWIWSEOTR-GOSISDBHSA-N 366.469 2.270 0 40 FEAB CNC(=O)c1sc2nc([C@H]3CCCN3c3ncccn3)ccc2c1N 257212024 CBPFFVDLHAGVND-GFCCVEGCSA-N 354.439 2.370 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257268510 MMAJTVVIVIYQGD-GOSISDBHSA-N 355.438 2.299 0 40 FEAB O=C(O)c1sccc1S(=O)(=O)N1CCOC[C@@H]1c1cccc(F)c1 656727169 GQCONIVCLCEDMS-GFCCVEGCSA-N 371.411 2.348 0 40 FEAB O=C(NC[C@H](Oc1ccc(F)cc1)C(=O)O)c1ccc2c(c1)CCOC2 659140750 VIZBFYUJWANWDC-KRWDZBQOSA-N 359.353 2.160 0 40 FEAB NS(=O)(=O)c1ccc(CCCNc2nc3ccccc3nc2F)cc1 1164332609 IFMGWYFYKPDAFL-UHFFFAOYSA-N 360.414 2.461 0 40 FEAB CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)C1CCN(C)CC1 1776006228 PMWZLZYGNYGSJW-UHFFFAOYSA-N 372.444 2.316 0 40 FEAB CO[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C)s1 96104800 JNUSIZSQHRBCIS-OAHLLOKOSA-N 369.464 2.494 0 40 FEAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/CN(C)C)s1 585292710 RMOZECRPVRSYNE-DYLGSBMWSA-N 372.498 2.766 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)c1cnccn1 585112370 OBYFSNUCOCVHTN-OAHLLOKOSA-N 368.466 2.112 0 40 FEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)COc2cccnc2)C1 585275508 BWCHFXQURCKZPD-HXUWFJFHSA-N 356.422 2.465 0 40 FEAB O=C(c1ccco1)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 35380142 FRRYTHRXYDQKGF-IBGZPJMESA-N 367.449 2.401 0 40 FEAB COCCn1cc(C(=O)NC2CCN(C(=O)OC)CC2)c2ccccc21 57456654 LRRGYAPOZNAWQJ-UHFFFAOYSA-N 359.426 2.248 0 40 FEAB Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 84374488 BWGJLUJHPXMGEP-UHFFFAOYSA-N 366.830 2.010 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@@H]1c1cccnc1 11694920 OVFQWIJLQXAHAB-JCURWCKSSA-N 364.409 2.340 0 40 FEAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 16638477 HVQLSKXHICJARR-UHFFFAOYSA-N 356.488 2.321 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n[nH]1 19083678 IZQKPEPBMQQSBZ-AWEZNQCLSA-N 354.458 2.120 0 40 FEAB CC(=O)N1CCC[C@H](c2cc(O)nc(C3CCN(C(=O)C(C)C)CC3)n2)C1 19085236 NTACYLNUVJCJNG-INIZCTEOSA-N 374.485 2.270 0 40 FEAB COc1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)ccc1O 19550075 KHNWXOITVLJJAN-MRXNPFEDSA-N 366.425 2.114 0 40 FEAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(C)=O)C3)nc2C)cc1 19766134 VRPLRAZFDWPYQD-CQSZACIVSA-N 354.410 2.382 0 40 FEAB Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)cc(C)c1Cl 157172997 FCIMUXDJKDMVJP-UHFFFAOYSA-N 353.894 2.089 0 40 FEAB CCc1onc(C)c1NC(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cnn(C)c1C 622833874 QWJCARHLFMTYKB-SJCJKPOMSA-N 359.430 2.136 0 40 FEAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)C1(c2ccccc2)CCOCC1 575605304 CXVUZDDMXCDYDH-HXUWFJFHSA-N 372.509 2.352 0 40 FEAB NC(=O)C1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 3285184 NXXKZZCVFBYUSY-UHFFFAOYSA-N 367.449 2.401 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(C)on1 3354700 PSPRIYUTEMJXRB-UHFFFAOYSA-N 366.805 2.154 0 40 FEAB CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 11534098 HBDFYMIWSCZSQA-OAHLLOKOSA-N 367.467 2.225 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)c1F 1888860153 KPHUPUIZAQZNPS-CHWSQXEVSA-N 360.437 2.253 0 40 FEAB Cc1noc(C)c1C(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888888440 CAVHOXUOJZJQDW-GASCZTMLSA-N 365.437 2.387 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 23652585 BJTUALSTSKSVMP-UHFFFAOYSA-N 373.453 2.348 0 40 FEAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c(OC)c1 4009211 LMVXBNQSPWOEQO-OAHLLOKOSA-N 364.398 2.381 0 40 FEAB CCn1cc(C(=O)NC[C@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 9661411 OXFKGQGQWIKZOG-OAHLLOKOSA-N 366.421 2.068 0 40 FEAB COc1cc(OC)cc(C(=O)NCc2nnnn2-c2ccc(Cl)cc2)c1 16943137 NIVXFSILNRZUST-UHFFFAOYSA-N 373.800 2.263 0 40 FEAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc2c(c1)OCCO2 40162221 LGVSLCFYQUCZLV-XIKOKIGWSA-N 353.374 2.417 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccn1 40108360 OHXIXBXTZNBQCR-UHFFFAOYSA-N 361.405 2.390 0 40 FEAB CC(C)(C)C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 32381202 SDXHCPVIGLNTJE-MRXNPFEDSA-N 367.515 2.196 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 32760600 HDWNKSNMVBWMBV-LBPRGKRZSA-N 360.487 2.438 0 40 FEAB COc1ccc(Br)cc1CN(C)Cc1nnnn1C1CC1 37164921 HHQMNLUDFTWOGC-UHFFFAOYSA-N 352.236 2.411 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccnc1N1CCOCC1 22491058 MCXLQNRLERJIOJ-UHFFFAOYSA-N 365.437 2.157 0 40 FEAB Cc1cc(C(=O)NCCCCOc2ccccc2)c2c(=O)[nH]n(C)c2n1 42024302 BKGASSXFCJAJAI-UHFFFAOYSA-N 354.410 2.159 0 40 FEAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4912452 QBSFZGDJOYJEEA-UHFFFAOYSA-N 365.437 2.225 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 55526404 QLYOUJQJVOZRMA-HDICACEKSA-N 370.449 2.140 0 40 FEAB O=c1c(CN2CCOCC2)coc(O)c1CN1CC[C@@H](c2ccccc2)C1 101374167 PFZZWVAPKAYSFN-QGZVFWFLSA-N 370.449 2.167 0 40 FEAB Cc1cc(C)n(C[C@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)n1 958908 HTNQNCLPEJJKPK-OAHLLOKOSA-N 352.438 2.144 0 40 FEAB biogenic COc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OCc1ccncc1 105471329 AIBRWMIDHXEICP-GOSISDBHSA-N 357.454 2.089 0 40 FEAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1 24527658 AWNMHRDYANHQRB-HNNXBMFYSA-N 363.870 2.386 0 40 FEAB COc1cccc(CC(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)c1 24671825 GFYYDUVAAGVZJM-SFHVURJKSA-N 370.474 2.456 0 40 FEAB COC(=O)c1ccc(CNC(=O)COc2ncnc3ccccc23)cc1 3245073 ZSKBBQYAUFHJOB-UHFFFAOYSA-N 351.362 2.112 0 40 FEAB CCCNC(=O)c1cccc(NCC(=O)NC(=O)NCc2ccccc2)c1 55852675 WFZHDTWZCVLSMU-UHFFFAOYSA-N 368.437 2.264 0 40 FEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NC(=O)c1ccco1 12680974 WDQMJLLLNYEASG-UHFFFAOYSA-N 354.318 2.356 0 40 FEAB O=C(NCc1cn2ccccc2n1)Nc1ccccc1CN1CCOCC1 48147378 GHNCELFSOBUFBD-UHFFFAOYSA-N 365.437 2.488 0 40 FEAB CCCOC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 1892632 BPRNKMNDHKJQPS-UHFFFAOYSA-N 352.412 2.285 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3CCN[C@H](C(N)=O)C3)c2c1C 12795817 UCTJWHPHXVBPIH-NSHDSACASA-N 373.507 2.300 0 40 FEAB CC(C)[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1 58203366 ZBTVJBVJVKUMMH-MDZRGWNJSA-N 371.485 2.017 0 40 FEAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1cccnc1-n1cncn1 58210444 MKVINDCDMJTOED-CMDGGOBGSA-N 371.404 2.178 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 20150507 JMAYTTKKIKIUGQ-LWGWVAHUSA-N 364.467 2.116 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCN2CCCc3ccccc32)c1 58343854 PJYQWKWHSBQWRC-UHFFFAOYSA-N 358.463 2.273 0 40 FEAB O=C(CCNC(=O)OCC(F)(F)F)Oc1ccc(N2CCCC2=O)cc1 58419237 QUXBXSQNUQPFQT-UHFFFAOYSA-N 374.315 2.397 0 40 FEAB COc1ccc(CNC[C@@H](O)CN2CCCC2)cc1OCc1cccnc1 60270280 OZIOPOIDYJXKRG-LJQANCHMSA-N 371.481 2.216 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 13138273 MONOOZFZVLULMD-ZETCQYMHSA-N 355.420 2.357 0 40 FEAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(C(=O)O)cc2)C1=O 13272964 KOEMSJCDIVPXJI-ZDUSSCGKSA-N 368.389 2.205 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 71297193 BTVHEFNCACUJNV-UWJYYQICSA-N 367.449 2.064 0 40 FEAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@@H]1C(=O)O 4084592 ADLQHGOSJQKJRI-IOASZLSFSA-N 360.435 2.111 0 40 FEAB biogenic CC(=O)N[C@]1(CC(=O)Nc2ccc(F)cc2)C(=O)N(C)c2ccccc21 9134179 VFHUKELDUJQYKC-IBGZPJMESA-N 355.369 2.162 0 40 FEAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 9111371 MQASXDMRITUTSX-DYESRHJHSA-N 361.401 2.481 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 65552816 HFYFETKMFRSKGA-ZSZQSSIHSA-N 366.417 2.132 0 40 FEAB Cc1ccc(F)c(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 96001778 QHDTYBBKDXIOON-HNNXBMFYSA-N 371.372 2.131 0 40 FEAB COc1cc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1 6514712 HLJWBXCEWLGFBV-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB COc1ccc(-c2nc(CC(=O)NCC(=O)NC(C)(C)C)cs2)cc1 9364114 JRCRJHALNGMTNM-UHFFFAOYSA-N 361.467 2.392 0 40 FEAB COCCN1CCCN(C(=O)CCCc2c[nH]c3ccccc23)CC1=O 97105200 PDVJNZGLMGWNOH-UHFFFAOYSA-N 357.454 2.198 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)cc1OC 4852528 MBLRZJZGPOUDBU-UHFFFAOYSA-N 371.372 2.317 0 40 FEAB COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 4914525 IFKKQQRYJXDPIV-SOFGYWHQSA-N 369.373 2.297 0 40 FEAB C[C@@H](c1ccccc1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 15596436 ICFJCDRRDSWMJW-AWEZNQCLSA-N 371.462 2.335 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7230219 FXIWQGJYMRBEJW-UHFFFAOYSA-N 369.420 2.497 0 40 FEAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1 67618234 WZLSBECRHRJFDS-RTBURBONSA-N 365.433 2.416 0 40 FEAB Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1C[C@H](C)O[C@H](C)C1 16719468 GYIBDEDBVIYNMN-GASCZTMLSA-N 371.481 2.282 0 40 FEAB CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 32484480 GHVUIFRNKXEYEJ-HNNXBMFYSA-N 352.500 2.389 0 40 FEAB CC(C)COC(=O)N1CCC(N[C@H](CO)Cc2ccc(O)cc2)CC1 97377090 LGKBLSCPASLHJP-KRWDZBQOSA-N 350.459 2.142 0 40 FEAB C[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 95462081 UJEGDSWZGQGJCN-PBHICJAKSA-N 356.463 2.013 0 40 FEAB CC(C)[C@H](Sc1ccc(O)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 95957011 NVRGGZAEVXFTMZ-HOCLYGCPSA-N 357.497 2.202 0 40 FEAB c1ccc(-n2nnnc2NC[C@@H](c2cccs2)N2CCOCC2)cc1 23865045 DPWKFYQVVUYGLR-HNNXBMFYSA-N 356.455 2.209 0 40 FEAB Cn1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)CC2)cn1 548093545 IWFVSLOKSLAEES-MRXNPFEDSA-N 358.486 2.307 0 40 FEAB Cn1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136018 PGTAOGKHBYFQAV-PXNSSMCTSA-N 354.454 2.241 0 40 FEAB CCOc1ccccc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O 38772548 OFYQMXINVWIKKG-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCC1CCCCC1)CN2S(C)(=O)=O 224489162 BRSMDFJGLJCVNP-QGZVFWFLSA-N 366.483 2.219 0 40 FEAB CCCc1nc(N2CCN(c3ncccn3)CC2)c2c(n1)c(C)nn2CC 226688371 TUVXDPDIVPECNI-UHFFFAOYSA-N 366.473 2.224 0 40 FEAB COc1ccccc1/C=C/C(=O)N1C(=O)CN(C)C(=O)c2ccccc21 40385959 KVVNLSDKMZCYJL-VAWYXSNFSA-N 350.374 2.354 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)s1 223797457 NHWNTCCQVISWDU-JTQLQIEISA-N 354.457 2.153 0 40 FEAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccs2)C1 96057749 COCOVVIZFCKSFF-NWANDNLSSA-N 357.435 2.401 0 40 FEAB Cc1ccn(-c2ccc(NC(=O)N3CCC[C@H]3Cn3ccnn3)cc2)n1 578056830 UAWMWWBMUVKKQT-KRWDZBQOSA-N 351.414 2.469 0 40 FEAB CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@@H](N)Cc1ccccc1Br 90677611 PDQXNJGKJDCLCU-NWDGAFQWSA-N 358.232 2.361 0 40 FEAB CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1 96068247 LLMUVMQMOWTGLH-KRWDZBQOSA-N 357.458 2.240 0 40 FEAB CN1CCO[C@@H](CNC(=O)c2cnn(C)c2C2CC2)[C@@H]1c1ccccc1 583620955 PIVGSZZBNKIMDB-HKUYNNGSSA-N 354.454 2.099 0 40 FEAB COc1cccc(N2CCC[C@H](NC(=O)c3occ4c3CCOC4)C2=O)c1 585081834 JZWIKKPGOFQVIX-KRWDZBQOSA-N 370.405 2.286 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257243852 IIVPSXBIUMZRCX-OAHLLOKOSA-N 355.398 2.336 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 251982893 GIAGSTPUKKHEIN-OAHLLOKOSA-N 357.410 2.387 0 40 FEAB CC(=O)N1CCC(N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 257289979 QAZPFIXLYHREGJ-OALUTQOASA-N 350.434 2.041 0 40 FEAB O=C1CCC[C@H](CC(=O)N2CCOc3cc(F)c(Br)cc32)N1 297627359 BVHVPPVEBDCAAX-SECBINFHSA-N 371.206 2.372 0 40 FEAB C[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)[C@@H](C)O1 634023603 YYEUTQOCLQGICG-CKEIUWERSA-N 356.426 2.208 0 40 FEAB O=C(NCc1cccc(OC2CC2)c1F)N[C@H]1C[C@H]2CCCCN2C1=O 661302273 QXHWEFGWVKFWLV-HIFRSBDPSA-N 361.417 2.320 0 40 FEAB COc1cc(-c2noc(CN3CC[C@@H](Oc4ccccc4)C3)n2)ncn1 662065862 VFCGXRVQVJHMQY-CQSZACIVSA-N 353.382 2.189 0 40 FEAB CN1CCC(CN2CC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1 585100964 MUVIVNKLHAUJBI-IBGZPJMESA-N 365.493 2.062 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2cccn2C1 585099253 YXLJLRCVRVJDEW-HNNXBMFYSA-N 362.433 2.445 0 40 FEAB CC(C)CCn1c(SCCCS(N)(=O)=O)nc2ccccc2c1=O 57742661 PPEJVSJKWVZJNN-UHFFFAOYSA-N 369.512 2.213 0 40 FEAB O=C1O[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)Cc2ccccc21 5172703 MSLKGUVBJPZMQT-GOSISDBHSA-N 352.390 2.243 0 40 FEAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN([C@H](C)C(N)=O)C2)on1 12121241 HIPWLQXLNYNYLO-ZIAGYGMSSA-N 368.441 2.054 0 40 FEAB Cn1ncc2c1CCc1sc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)nc1-2 12219850 OGUUMEKUEVXMAJ-SNVBAGLBSA-N 373.482 2.228 0 40 FEAB CCCCN(C(=O)c1ccc(C)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14719961 BNUVLNQUNFIBAQ-UHFFFAOYSA-N 362.430 2.123 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 15248114 SFOQXAMINBDDAL-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB CCc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 15831869 AQVKSOATIGIMKH-GOSISDBHSA-N 358.438 2.411 0 40 FEAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2csc(C)c2)C3)C1 19571935 ZEBKAANNWUCCLJ-CQSZACIVSA-N 370.478 2.381 0 40 FEAB COc1cccc(CCNC(=O)CC2CCN(C(=O)c3cc[nH]n3)CC2)c1 19748476 UYJHHZPQQQGLKO-UHFFFAOYSA-N 370.453 2.020 0 40 FEAB NC[C@@H]1CC[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C1 583074414 RLZNKLJRKQHDOQ-BXUZGUMPSA-N 368.275 2.481 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccco2)cc1OC 3388560 KMEJZPKSHIXKPT-SOFGYWHQSA-N 359.378 2.212 0 40 FEAB COc1cnc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)nc1 1889160447 GUNQXVWSDDPETL-UHFFFAOYSA-N 369.400 2.251 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)s2)NC(=O)N[C@H]1C 16049926 HANJLFNRMVMQEP-ZETCQYMHSA-N 358.803 2.077 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)NC2(C(=O)N(C)C)CCCCC2)c1 1123896131 KSYQFOLEGKYEIK-UHFFFAOYSA-N 359.426 2.038 0 40 FEAB Fc1ccccc1N1CCN(Cc2nnnn2Cc2ccccc2)CC1 29801284 GPOZSBYUBOWTRB-UHFFFAOYSA-N 352.417 2.183 0 40 FEAB COc1cc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)ccc1OC(C)C 2037983725 DIEUMDFYSWFKRI-IRXDYDNUSA-N 362.470 2.162 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 1614948838 VWDIDHQEGFHPEX-FQEVSTJZSA-N 361.461 2.309 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 1565541798 FCKQDOQPYWOIJG-NQIIRXRSSA-N 368.408 2.293 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)c(OC)c1 1565547590 LTQYAKOICLXCMJ-KXBFYZLASA-N 362.470 2.275 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)N3CCC(C)CC3)CC2=O)cc1OC 5201936 JLTZOSUYDIFMSN-AWEZNQCLSA-N 361.442 2.251 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)c(F)c1 11744324 MOOKBWFCKMPYKF-UHFFFAOYSA-N 371.347 2.405 0 40 FEAB O=C1CN(c2ncc(Cl)cn2)CCN1c1ccnc(C(F)(F)F)c1 1775973370 HCHQCMFPUHNOOR-UHFFFAOYSA-N 357.723 2.397 0 40 FEAB CN([C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 2086886932 FQNAWSHGCVFVSK-LLVKDONJSA-N 363.405 2.493 0 40 FEAB O=C(NCCn1cc(-c2ccncc2)cn1)NCc1ccc2c(c1)OCO2 575613134 UXYYXUCLUBCDMP-UHFFFAOYSA-N 365.393 2.173 0 40 FEAB Cc1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cs1 225727618 VTBQGLDPCNFMQZ-UHFFFAOYSA-N 357.361 2.223 0 40 FEAB CN1c2ccccc2N(C2CCN(C(=O)c3ccoc3)CC2)S1(=O)=O 390830368 KPNLYCZMJGULAS-UHFFFAOYSA-N 361.423 2.085 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](OCCO)c1ccsc1 575621664 QMXNABYGUKLJQH-WVMJFEGXSA-N 361.419 2.356 0 40 FEAB COc1cc(CNC[C@@H](O)CN2CCCC2)ccc1OCC(F)(F)F 71950219 XHPDZVJWSCEPBM-CQSZACIVSA-N 362.392 2.183 0 40 FEAB COCCNC(=O)CC1(Cn2cnc3ccccc3c2=O)CCCCC1 40286409 UTBSOORDHIAYFG-UHFFFAOYSA-N 357.454 2.500 0 40 FEAB COCC(=O)Nc1cccc(NCc2cc(=O)n3cc(C)ccc3n2)c1 32770459 FVSYMRXAZIZBDL-UHFFFAOYSA-N 352.394 2.200 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Oc1ccc(-c2nnco2)cc1 102436693 ZKHFHYYLAFURLU-GASCZTMLSA-N 369.377 2.207 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 32808895 LPASPKPUTRHDQW-MRXNPFEDSA-N 373.478 2.396 0 40 FEAB CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(COc2ccc(C)cc2)n1 78607797 MBLYBFVKQWAXPT-MRXNPFEDSA-N 373.478 2.310 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)c3cccnc3)CC2)cc1 47264657 ISXIOKUOIVEHGP-OAHLLOKOSA-N 361.467 2.158 0 40 FEAB CCNCCCCNCCCCNCCCCNCCCCNCC 3810809 NPPQUDMGFNXAFH-UHFFFAOYSA-N 357.631 2.095 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 4076306 URKJSKVDJFPMFH-SLDRDFCHSA-N 350.418 2.311 0 40 FEAB NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 783810 RLOLCEAPHPNYGP-QFIPXVFZSA-N 374.396 2.132 0 40 FEAB Cc1cccc(CN2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 22815792 HPBSPOJSBVHGDO-RTBURBONSA-N 353.466 2.021 0 40 FEAB O=C(NCc1ccccc1F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6260558 KMFFASZDLYHBOF-AWEZNQCLSA-N 370.380 2.266 0 40 FEAB CN(C)c1nc(N)nc(CSCCC(=O)Nc2cccc(Cl)c2)n1 23079152 WKDLSMNNJYHMQH-UHFFFAOYSA-N 366.878 2.435 0 40 FEAB CCNC(=O)NC(=O)[C@@H](Nc1ccc(C(=O)OC)cc1)c1ccccc1 7224050 FWKYZYSWHDYCTL-INIZCTEOSA-N 355.394 2.472 0 40 FEAB COC[C@@H](C)NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10338370 KRSNVJVIMMBUJU-OAHLLOKOSA-N 356.488 2.001 0 40 FEAB COc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 10449152 LLVGALGLULVXMJ-UHFFFAOYSA-N 360.435 2.051 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(N2CCOCC2)nc1)c1ccsc1 25331801 VGSHCGOESIYICL-INIZCTEOSA-N 360.483 2.012 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)nc1 43998658 ULVOCAXEAZEJDG-LSDHHAIUSA-N 359.426 2.311 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 48235476 WHJOTLYKKDFQDT-ZDUSSCGKSA-N 367.829 2.455 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1OC 10288573 QUEJYNBOVZQJHK-GFCCVEGCSA-N 374.359 2.235 0 40 FEAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58218410 LLJQZUKSQSASID-CYBMUJFWSA-N 357.451 2.397 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 58217616 JWJXDYAOFPQMJM-CQSZACIVSA-N 355.438 2.422 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CCNC(=O)[C@@H]1C[C@H]1C 58292174 ZNFFGXZKPKHKPR-TZMCWYRMSA-N 366.845 2.004 0 40 FEAB CCN(CC)[C@H](CNC(=O)C(=O)c1cnn(C)c1)c1ccccc1Cl 58355840 KYHQXRCJDOKOLC-MRXNPFEDSA-N 362.861 2.456 0 40 FEAB O=C(CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)OCc1ccccc1 58356826 JGPSHPRFQMOBBJ-UHFFFAOYSA-N 369.402 2.471 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 57349540 GCRIHCUQKOJGRT-UHFFFAOYSA-N 372.469 2.159 0 40 FEAB NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 84514524 KPHGCNDZTGVSAO-LBPRGKRZSA-N 361.829 2.280 0 40 FEAB Cc1cnn(CCNC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 36616850 QPVYMXZYPYXUMK-UHFFFAOYSA-N 364.409 2.472 0 40 FEAB Cn1cc(CN2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306137942 RKNQIDSOFXLOGS-HKUYNNGSSA-N 369.446 2.435 0 40 FEAB O=S(=O)(NC1CCN(C[C@H]2CCCCO2)CC1)c1ccc(F)cc1 29933984 DOIITZBSYPDJSS-MRXNPFEDSA-N 356.463 2.138 0 40 FEAB O=C(OCc1ccc(F)cc1Cl)C1=CN2CCS(=O)(=O)N=C2C=C1 12818919 QLHHWGITULGHHI-UHFFFAOYSA-N 370.789 2.020 0 40 FEAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 12983814 PXSNNMMYZVRNTG-NSHDSACASA-N 359.879 2.124 0 40 FEAB CC(C)NC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 13001933 QTDCHKBAEQIYLW-UHFFFAOYSA-N 356.407 2.435 0 40 FEAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccnc2)cc1 8997471 WLAPAQORIYUFHG-MRXNPFEDSA-N 363.381 2.004 0 40 FEAB COc1ccc(C(=O)O)c(O[C@@H](C)C(=O)NCc2ccccc2OC)c1 13315767 UKNDBJVGPYCJRO-LBPRGKRZSA-N 359.378 2.486 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 6006566 JAXUCEIQLLRXRB-UHFFFAOYSA-N 372.425 2.180 0 40 FEAB Cc1cc(C(=O)CSCc2nc(N)nc(N(C)C)n2)c(C)n1C1CC1 9156230 YWHPMEBOPBRHFL-UHFFFAOYSA-N 360.487 2.389 0 40 FEAB CCOc1cc2c(c3[nH]c(C(=O)N4CCC(C(N)=O)CC4)cc13)O[C@@H](C)C2 65492140 MTVDTCQJSYLPMP-NSHDSACASA-N 371.437 2.228 0 40 FEAB CS(=O)(=O)N1C[C@]2(CCN(Cc3ccc(F)cc3)C2)c2ncccc21 306124072 BFAWYFYUCUQMMG-GOSISDBHSA-N 361.442 2.144 0 40 FEAB COCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 4510804 SXINGCOQDOIVMC-SFHVURJKSA-N 360.435 2.430 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(F)c2)ccc1OC 113946049 FSUVOSYHBYFOPN-UHFFFAOYSA-N 366.414 2.063 0 40 FEAB CN(C)C(=O)CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 7036982 YAYQANOVJWSBQY-UHFFFAOYSA-N 354.435 2.419 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C 7121160 RSBFAAOPFRRUIN-NSHDSACASA-N 363.370 2.289 0 40 FEAB Cc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1C 7229963 YIRPRXWFSUBKPF-UHFFFAOYSA-N 365.890 2.218 0 40 FEAB O=C(O[C@@H]1CCOC1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537633 MZQPJUCTNIELDA-CQSZACIVSA-N 351.786 2.051 0 40 FEAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cccc(Cl)c1Cl 9496171 QFXYWHUCRNAXHD-RXMQYKEDSA-N 359.242 2.462 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCOc1ccc(F)cc1 7736559 RGVJFMQNRWDVSD-IBGZPJMESA-N 356.353 2.434 0 40 FEAB C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1 16227957 PGLJVMSNJRAQDV-HNNXBMFYSA-N 360.479 2.312 0 40 FEAB Cn1cccc1[C@@H]1CCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 8185688 RJXPYNQLOOWMDU-HNNXBMFYSA-N 370.409 2.239 0 40 FEAB Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 69176012 VSLMQSHFBYOAAL-SFHVURJKSA-N 365.433 2.266 0 40 FEAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NC[C@H]1CCCO1 9833706 DJLDVXCVKAJHCF-SNVBAGLBSA-N 361.225 2.244 0 40 FEAB C[C@H](COC(=O)CCNC(=O)c1cccs1)NC(=O)OC(C)(C)C 72310771 ULDXUDMDIIKNRA-LLVKDONJSA-N 356.444 2.324 0 40 FEAB CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(O)cc1 27300851 GRTLPKNLOMFBJR-VHSXEESVSA-N 374.344 2.325 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CCCc2nc(C)no2)on1 547697180 PNYRCZRAWGZZQX-GJZGRUSLSA-N 351.426 2.151 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 11865452 PYBJBBDDKVNUQD-XXFAHNHDSA-N 361.394 2.273 0 40 FEAB biogenic COC(=O)c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1 56907602 QIQAFQXMCRQQSE-UHFFFAOYSA-N 371.418 2.138 0 40 FEAB Cn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 306137945 RKNQIDSOFXLOGS-PKOBYXMFSA-N 369.446 2.435 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)NCCc3nn(C)c4ccccc34)C2)n1 185496467 SUIAAOJMKQUFSQ-CQSZACIVSA-N 368.441 2.396 0 40 FEAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1cc(Br)cn1 32609631 CYOQRXJGPYORTQ-VIFPVBQESA-N 352.188 2.252 0 40 FEAB Cn1ccnc1C(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355222 LPJYVWFLZDIRFN-QGZVFWFLSA-N 367.497 2.374 0 40 FEAB O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCCc2ccccc21 70641389 LCKNITSYLSSEIK-IBGZPJMESA-N 350.418 2.393 0 40 FEAB O=C1C(CS(=O)(=O)c2ccc(Br)cc2)=Nc2cccn21 32611928 JPWVNBZXOMGPNP-UHFFFAOYSA-N 353.197 2.451 0 40 FEAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217425237 LXQUIQDKBUDSOS-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4ccncc4)CC3)cc2N1 71486593 DCVJQXIDVFPITE-UHFFFAOYSA-N 365.389 2.148 0 40 FEAB CCOC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1 217497171 HAJCXAYCCBTEQG-CQSZACIVSA-N 358.232 2.092 0 40 FEAB CCn1nc2n(CC(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 72347017 OOAXSJDKWOOTIH-UONOGXRCSA-N 355.442 2.166 0 40 FEAB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225600993 PQRWGFFBNFIIRF-VOTSOKGWSA-N 370.478 2.279 0 40 FEAB Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 525983893 SJIDECNMCUVJLT-DLUDVSRJSA-N 360.483 2.212 0 40 FEAB C[C@@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 527659012 NFVJKXBNAVGUBS-BVBHFADKSA-N 371.529 2.306 0 40 FEAB CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@H](c2ccccc2)C1 329018607 LBWACHHFNGJSAC-RBUKOAKNSA-N 363.461 2.423 0 40 FEAB O=C(Nc1ccncc1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 75163741 XDCSIROZJQGZRF-UHFFFAOYSA-N 350.260 2.208 0 40 FEAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 42646646 OOYCEALKLCQDCE-UHFFFAOYSA-N 356.378 2.457 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223571554 KVJPKIBSQBCJES-JCGIZDLHSA-N 372.494 2.027 0 40 FEAB COC(=O)CC1CCN(C(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)CC1 95474049 YATZDFFKJRMIPM-LJQANCHMSA-N 372.465 2.469 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472657 MLBCFSRGFKOECU-CYBMUJFWSA-N 352.369 2.371 0 40 FEAB Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)o1 96243639 GOURRRNXWZKGCM-QGZVFWFLSA-N 372.469 2.199 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96240805 CZOHQZGBAUFCPU-QGZVFWFLSA-N 360.429 2.221 0 40 FEAB O=C(c1ccno1)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244329 UJEUFLDRYMZCAW-FQEVSTJZSA-N 362.389 2.446 0 40 FEAB O=S(=O)(NCC[C@@H]1CN(CC2CC2)Cc2ccnn21)c1ccccc1 247331654 PAUULGIRGVHXLH-QGZVFWFLSA-N 360.483 2.018 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@H]1[C@@H]3C(=O)N1CCC(O)CC1)O2 248337831 QIZZSSZJWRBTRM-FWQLUELVSA-N 355.434 2.338 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)Cn3ccnc3)C2)ncn1 257278840 ODWCGINWGBPPMP-OAHLLOKOSA-N 366.425 2.036 0 40 FEAB COCC(=O)N1CC[C@H](c2cc(-c3cccc(C(=O)O)c3)nc(C)n2)C1 257210939 BWUINNQGFJIVQR-HNNXBMFYSA-N 355.394 2.113 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3Cc3cncs3)ccnc12 257233909 GRHPOJMIOIBFOE-AWEZNQCLSA-N 356.455 2.225 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1cc(=O)c2ccccc2o1 90744220 QJCNPVRMWMOJJT-INIZCTEOSA-N 351.358 2.191 0 40 FEAB CN1CCO[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3C(=O)O)C[C@@H]21 630204391 LYUODYPPZCGBJW-RBUKOAKNSA-N 366.417 2.207 0 40 FEAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2cccc(Cl)c2)c2cccc(O)c2)C1 575420131 GDPYBRDYOYOHAB-IAGOWNOFSA-N 367.854 2.210 0 40 FEAB O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 95442231 SICMOZNVDVUPDH-LSDHHAIUSA-N 356.419 2.026 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC)c1 95404768 BTXFFSONWPGKBK-QGZVFWFLSA-N 353.374 2.386 0 40 FEAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4C)nc32)c1 5151634 AEMBQCXPKQMZPP-UHFFFAOYSA-N 359.389 2.492 0 40 FEAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2sccc2C)on1 12155771 AUUKGNPNUHCBTP-UHFFFAOYSA-N 355.423 2.413 0 40 FEAB CN(c1ccccc1C(=O)NCCCN1CCCCCC1)S(C)(=O)=O 13672717 OZOBWMJOTJFLAR-UHFFFAOYSA-N 367.515 2.078 0 40 FEAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)Nn1cnnc1 14406014 UOIUDAAQXANPHA-UHFFFAOYSA-N 363.377 2.264 0 40 FEAB C[C@H]1CN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)C[C@@H](C)O1 15230415 ZPKFRJKNKHKHAV-GASCZTMLSA-N 362.495 2.473 0 40 FEAB C[C@@H]1CN(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)C[C@@H](C)O1 19497451 YSTNBDSYUCVTHX-GPMSIDNRSA-N 363.477 2.188 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1 19554070 LSAZNSSKOCHWEE-HNNXBMFYSA-N 363.417 2.490 0 40 FEAB Cc1c(CN2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C 19692591 PTEOTFOUZUIODX-IBGZPJMESA-N 350.426 2.154 0 40 FEAB Cc1nc(=O)n(CC(=O)NCc2cccc(N3CCCCC3)c2)c(C)c1C 19716190 ZDNJMONTRDRFFR-UHFFFAOYSA-N 368.481 2.475 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3C(=O)C2CCCC2)n1 12366405 UDJLUQNWSZGTOV-XEWABKELSA-N 359.470 2.017 0 40 FEAB O=C(Nc1cccc(CNC(=O)C2(C(=O)O)CCC2)c1)c1ccncc1 563202136 UARUIANWUFMSNZ-UHFFFAOYSA-N 353.378 2.205 0 40 FEAB CCOc1ncccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19531433 HEEMCHWUOSWNQM-QGZVFWFLSA-N 367.453 2.236 0 40 FEAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C)[C@@H](c3ccco3)C2)o1 6851409 UWGPREOGIBXTLW-GFCCVEGCSA-N 372.410 2.175 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)c(C)n1 2037909159 ZBBWLTGLJZGQIS-LJQANCHMSA-N 359.401 2.279 0 40 FEAB O=C(c1ccon1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984225 UQUZPKDBVWSALG-LJQANCHMSA-N 355.394 2.103 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)cc1 11739547 OVNMWOPGXXGULR-UHFFFAOYSA-N 359.813 2.458 0 40 FEAB Cc1ccc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)o1 2055745731 XCWXAOJUUVMZJA-UHFFFAOYSA-N 374.466 2.410 0 40 FEAB Cc1ccccc1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O 49407244 KYJWEASRJNJYKH-UHFFFAOYSA-N 374.404 2.209 0 40 FEAB COC(=O)COC(=O)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 21360050 XBALHEXWFAQCMB-UHFFFAOYSA-N 355.321 2.460 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCOC1 40089195 XJTOBXQRNMRKTA-SWLSCSKDSA-N 370.902 2.344 0 40 FEAB Cc1ccc(OCc2nnc(SCc3nc(N)nc(N(C)C)n3)o2)cc1 31621108 ZGJVCYHOVCORIU-UHFFFAOYSA-N 373.442 2.083 0 40 FEAB CCSc1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 102297077 XULZBAOTZLEHPC-UWVGGRQHSA-N 368.484 2.154 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)F)c(Cl)c1 32912518 NQXPSMSDVIMSFK-XCBNKYQSSA-N 351.758 2.091 0 40 FEAB Oc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 52798418 RJFBFEGSLDTVCX-SFHVURJKSA-N 356.422 2.019 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cn2cncn2)cc1 12391341 PEEXNXUEUYVVRD-UHFFFAOYSA-N 353.426 2.272 0 40 FEAB C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1Cl)S(C)(=O)=O 97127753 OYEPXKLPVQTYRA-FDZZMLEXSA-N 358.872 2.112 0 40 FEAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 47226904 HKUUUIIRVAPQDG-IAGOWNOFSA-N 361.511 2.410 0 40 FEAB NC(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 53893597 HIPXKVDAWOGWSZ-OAHLLOKOSA-N 351.406 2.136 0 40 FEAB O=C(CN1CCC(NC(=O)NC2CCCCC2)CC1)NCc1ccccc1 4908569 DGUYZZIMDYPOBO-UHFFFAOYSA-N 372.513 2.399 0 40 FEAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1 23173859 IZNXGIDSYRJRTE-UHFFFAOYSA-N 370.409 2.078 0 40 FEAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 42869009 YXCIINODAOZGKU-OAHLLOKOSA-N 366.483 2.043 0 40 FEAB CC(C)(C)c1cn2nc(NCCCn3nc4ccccn4c3=O)sc2n1 54841491 WVFGWCOXBPAHIY-UHFFFAOYSA-N 371.470 2.400 0 40 FEAB COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1NS(C)(=O)=O 12521471 PCDGUPJXMSHPDO-UHFFFAOYSA-N 353.425 2.377 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 25283257 JPBSORZRWUTSKA-JLTOFOAXSA-N 373.453 2.371 0 40 FEAB NS(=O)(=O)Cc1ccc(NC(=O)Cc2cccc3cccnc23)cc1 25584108 QWBCCJJYILZEJC-UHFFFAOYSA-N 355.419 2.205 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)CCN1CCOC1=O 56378254 RTYZJEWXABCENX-ZIAGYGMSSA-N 369.462 2.171 0 40 FEAB CCOc1cccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 56493938 AEFWAZPBYACJCD-SFHVURJKSA-N 350.484 2.023 0 40 FEAB Cc1nc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)sc1C 174325051 XGNZDSQXHGHJRH-UHFFFAOYSA-N 362.455 2.457 0 40 FEAB O=C(CCCSc1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 12697786 BYRFKNUERCGMJC-LLVKDONJSA-N 370.521 2.472 0 40 FEAB O=C(O)CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 1902516 GTRXDLWUVNCUFR-UVZCHINQSA-N 350.374 2.215 0 40 FEAB biogenic Cc1ncc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 57996911 QVVBOAQWWUOEFH-UHFFFAOYSA-N 361.423 2.084 0 40 FEAB O=C(NCc1cc(O)n2nc(-c3cccs3)cc2n1)c1cccnc1 100769287 RSJPGNGZBSOAKP-UHFFFAOYSA-N 351.391 2.488 0 40 FEAB CC(C)n1cc(C(=O)N2[C@@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 100119832 HWDUBZMWNHPPPV-ZTQAJYAQSA-N 365.437 2.393 0 40 FEAB CCN(CC)[C@H](C)CNC(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1 58191827 ZBKSNOLVTPUBTR-LLVKDONJSA-N 364.515 2.381 0 40 FEAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC1CC1 12745302 CIAXPBNFDGEYFR-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB COc1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)cc1S(N)(=O)=O 58144512 SMLBUBUEXVEWNM-SNVBAGLBSA-N 353.371 2.400 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 58169228 VJLQDEYWLKFFEH-HUUCEWRRSA-N 367.519 2.118 0 40 FEAB CCNC(=O)CN(CC)C(=O)NCCc1ccccc1Br 58202544 LHHGENWOKDBHFM-UHFFFAOYSA-N 356.264 2.159 0 40 FEAB CC(C)(C)OCCSc1nnc(CCC(N)=O)n1Cc1ccco1 58217632 GSHQUEAPFJRJSP-UHFFFAOYSA-N 352.460 2.245 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 58217615 JWJXDYAOFPQMJM-AWEZNQCLSA-N 355.438 2.422 0 40 FEAB CCCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 2179229 GXNFXVDWGVDBFQ-UHFFFAOYSA-N 352.378 2.388 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NC1CC1 3372554 SQIPHFFNHWTETD-UHFFFAOYSA-N 355.419 2.409 0 40 FEAB CCC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 24830884 OKIDLYMQPQYSGN-UHFFFAOYSA-N 351.362 2.270 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12810993 MSWLVIWHIOVPRV-CQSZACIVSA-N 358.417 2.379 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cc1 2660952 RGIOVIOZLBHDGG-UHFFFAOYSA-N 374.249 2.008 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 12973725 SRXGNZBLGNZONO-UHFFFAOYSA-N 357.501 2.022 0 40 FEAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1 12995144 VMCIHOKJKMKELI-SZNDQCEHSA-N 363.417 2.473 0 40 FEAB Cc1cc(C)n(-c2nnc3n2N=C(c2cccs2)[C@@H](CC(=O)O)S3)n1 13013831 BXASEGSJQSBJAC-LLVKDONJSA-N 374.451 2.344 0 40 FEAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc(C)on2)cc1 5033986 OJOUTQSCZVSHLB-JTQLQIEISA-N 360.399 2.087 0 40 FEAB CCNC(=O)NC(=O)[C@H](Sc1nnc2ccccn12)c1ccccc1 6115236 XLOWGLDJQNMJBH-CQSZACIVSA-N 355.423 2.408 0 40 FEAB COCc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)o1 97492924 QQABPMKUYSNVAA-UHFFFAOYSA-N 357.454 2.103 0 40 FEAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1cccnc1N1CCCC1 65478774 CBXHQQSSJQLGMK-FUHWJXTLSA-N 373.501 2.304 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 14163816 XANBHBDAGLYACU-FOCKTWCOSA-N 374.437 2.130 0 40 FEAB C[C@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)S(C)(=O)=O 69414873 UIFFBYWICHBKJN-CQSZACIVSA-N 371.462 2.134 0 40 FEAB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 9638841 RYYGIHRTLJDSAR-JTQLQIEISA-N 368.418 2.141 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)N1CCCCCC1 22412942 MBHGFYDKWUQJLY-UHFFFAOYSA-N 367.515 2.076 0 40 FEAB C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 95951801 UGUSZPPAWNAKPU-IAGOWNOFSA-N 366.465 2.105 0 40 FEAB CCN(CC)CCCN[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 54173061 CPLHFFFGFNRHGG-OAHLLOKOSA-N 355.866 2.443 0 40 FEAB CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC 408700867 NIXJAXOULLIHLE-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(F)cc1 2087697 JGOUIELVSPTAER-OCCSQVGLSA-N 371.437 2.121 0 40 FEAB biogenic Cn1nnc2cc(C(=O)N3CCC[C@@H](Cc4ccc(O)cc4)C3)cnc21 1554009471 DKLBRCMNARJLDV-AWEZNQCLSA-N 351.410 2.164 0 40 FEAB NC(=O)CCC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72363230 CGBHOGLVRMFONQ-UHFFFAOYSA-N 372.400 2.380 0 40 FEAB CC(C)c1nc(N2CCC[C@H](C(=O)N3CCCC3)C2)c2cnn(C)c2n1 72143845 OHHZWVQQHJULCQ-AWEZNQCLSA-N 356.474 2.326 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 46063194 TVEPOLWCTGHBLN-KFWWJZLASA-N 363.458 2.483 0 40 FEAB CC(C)OCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224379747 FZGBNUJBBYONGT-UHFFFAOYSA-N 354.472 2.162 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)cc1 226389126 VGLRCBKEWISIEM-HMSXXHTOSA-N 350.418 2.359 0 40 FEAB Cn1c(CO[C@H]2CN(C(=O)C3CCOCC3)C[C@H]2F)nc2ccccc21 96111992 RSFRLQRFLVYNRZ-PBHICJAKSA-N 361.417 2.065 0 40 FEAB biogenic,in-vitro CN(Cc1cn2c(n1)CN(C(=O)c1cccnc1)CC2)Cc1ccco1 96059533 IUNWKKQNXQLAMV-UHFFFAOYSA-N 351.410 2.159 0 40 FEAB O=C(O)COc1ccc(CCNC(=O)[C@@H]2CSc3ccccc3O2)cc1 583650522 AFRSGJDQYZEITI-INIZCTEOSA-N 373.430 2.362 0 40 FEAB CCC1(CC)CN(C(=O)N[C@H](C2CC2)C(F)(F)F)CCS1(=O)=O 585083725 BOQOCXUBBQQPRS-LLVKDONJSA-N 356.410 2.326 0 40 FEAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccc3ncccc3c2)CO1 96078585 KPHGAHLIMOYUHE-YLJYHZDGSA-N 356.422 2.271 0 40 FEAB CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccoc1)CC2 96036947 PRGRHFDEKFMKIQ-UHFFFAOYSA-N 366.469 2.313 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247886100 XBSUVKLTCOJROG-QGZVFWFLSA-N 355.463 2.322 0 40 FEAB Fc1cnc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc1 247560151 YOCYOEQMUBQAFM-OAHLLOKOSA-N 351.422 2.044 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cs1 248032570 MGPFLNDCHCGRET-OAHLLOKOSA-N 366.483 2.268 0 40 FEAB COCCN1C(=O)CCC[C@H]2CN(C(=O)CCc3ccccc3)CC[C@H]21 257212300 CCSPUXXBOUXBSX-RBUKOAKNSA-N 358.482 2.495 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257272798 NDXMRACQSDDZOK-GOSISDBHSA-N 358.442 2.203 0 40 FEAB Cc1cnc(-c2ccc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)s1 257214590 CMOMIWQUBFDJSA-CQSZACIVSA-N 366.512 2.184 0 40 FEAB CC(C)c1cc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n(-c2ncccn2)n1 595281201 JOSDKUSWCONGAX-ZDUSSCGKSA-N 370.457 2.371 0 40 FEAB Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1N1CCOCC1 1651750542 FKBRILUDCIAIDL-AWEZNQCLSA-N 354.454 2.389 0 40 FEAB Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](c4ccco4)C3)C2)nn1 370322720 BFQLJTNSSNAZGP-WBVHZDCISA-N 371.441 2.130 0 40 FEAB Cc1noc(COC2CN(C(=O)[C@H]3CC(C)(C)Oc4ccccc43)C2)n1 644203928 PIFPMMVBUOFQKB-HNNXBMFYSA-N 357.410 2.450 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)NCc1cnc(C(F)(F)F)nc1 661471118 UHQBWLQSKXVLSX-UHFFFAOYSA-N 354.336 2.106 0 40 FEAB Cc1cnc(N2CCN(C(=O)[C@H](N)c3ccc(F)cc3F)CC2)s1 662737369 OLCNZIORJPNEJB-CQSZACIVSA-N 352.410 2.078 0 40 FEAB O=C1NCCc2ccc(NCc3nc(-c4ccc5c(c4)OCO5)no3)cc21 604996863 OCGVWHVLLDGANA-UHFFFAOYSA-N 364.361 2.363 0 40 FEAB CS(=O)(=O)C1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCC1 684411679 DBDFXKJDPKQXMI-UHFFFAOYSA-N 365.495 2.204 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCOCCN1 1227579092 UCQRBXPZZSNFPX-GFCCVEGCSA-N 359.257 2.119 0 40 FEAB COc1cccc(N2C[C@H](Cc3ccccc3)N(CCC(=O)O)CC2=O)c1 92096479 TZNWUDSLXDGMMG-SFHVURJKSA-N 368.433 2.430 0 40 FEAB O=C1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc3c(c2)CCO3)CCN1 298918507 BOXUBEVLUPYYRA-SFHVURJKSA-N 350.418 2.254 0 40 FEAB O=C(O)COc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1 621538467 QIBMWAHHENBNNI-HXUWFJFHSA-N 353.374 2.422 0 40 FEAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585289501 IZJUFOKCPRSEOP-BDOUJZDASA-N 373.428 2.392 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)NC[C@@H]3CCC[C@@H](C)O3)CC2=O)c1 685938989 SNRMEDWJRHDBEE-CPUCHLNUSA-N 361.442 2.057 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 102636491 MDDRTXRBBVIKII-BETUJISGSA-N 360.410 2.166 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1C(=O)c1cccs1 12115048 CDKQXILCYNCJKN-CYBMUJFWSA-N 356.403 2.174 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1F 12146244 OVTWHUICOFUCRB-KRWDZBQOSA-N 367.380 2.416 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 13580526 IOEDJCWFDIYTRV-LBPRGKRZSA-N 372.462 2.150 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)c2)n1 13960383 VMLRCFXKDZKCPG-MHORFTMASA-N 351.406 2.215 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C\c3ccc[nH]3)C(=O)O2)cc1 14077087 YOQMDFCDGIHFRT-GDNBJRDFSA-N 359.407 2.046 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 15351136 QRXKALNCDCPYBD-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3cccnc3)CC2)no1 19338962 WGUHDWQDRXRTLK-KRWDZBQOSA-N 370.453 2.358 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)no1 683805184 KFKGHEJCZKNKSX-SWLSCSKDSA-N 360.414 2.427 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 3008191 FPFJGNVVGJROQP-OAHLLOKOSA-N 372.918 2.451 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3352983 JUQYDRLOVPNKMY-LBPRGKRZSA-N 355.341 2.193 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1 6981739 YULVUFHULMOIQS-UHFFFAOYSA-N 350.415 2.119 0 40 FEAB O=C(C1CCN(c2nccn(C3CC3)c2=O)CC1)N1CCC(F)(F)CC1 1889103119 SOZACUYTMRUTNB-UHFFFAOYSA-N 366.412 2.052 0 40 FEAB COc1cccc(-c2cc(C(=O)N3CC(Cn4cc(C)cn4)C3)n(C)n2)c1 1848611595 KRORLDGAPBROQN-UHFFFAOYSA-N 365.437 2.373 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037915966 FDDAAZQTAJJLAY-JXFKEZNVSA-N 364.461 2.432 0 40 FEAB Cc1ccc(-n2ccn3c(=O)n(Cc4ccccc4F)nc3c2=O)cc1C 252479883 BOMVVDHKLXBTHQ-UHFFFAOYSA-N 364.380 2.451 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CCN(c4ncccc4F)CC[C@H]3C2)n(C)n1 2056224826 XVXQDDPZUZICRH-GASCZTMLSA-N 357.433 2.251 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373810 LEWVPSKCFAMKJD-AWEZNQCLSA-N 371.368 2.159 0 40 FEAB O=C(Nc1ccccc1)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)n1 15884282 MNTCYXFGJABRAV-UHFFFAOYSA-N 374.400 2.085 0 40 FEAB Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 281513746 LPVRTZNHGVPWHL-ZDUSSCGKSA-N 363.468 2.341 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2N)cc1OC 9748769 WRWFZZTZJUAOBR-UHFFFAOYSA-N 367.409 2.487 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19569700 FWNYDQHBZSJHMI-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)o1 40088936 VEZKCOMAUJUEOL-UHFFFAOYSA-N 362.411 2.485 0 40 FEAB Cc1nnnn1-c1cccc(NCC(=O)NCC2(c3ccccc3)CC2)c1 50783356 XBWIFPYTIQJYSX-UHFFFAOYSA-N 362.437 2.231 0 40 FEAB c1ccc(N2CCN(c3nc(N4CCCC4)c4nccnc4n3)CC2)cc1 32091220 NVEDQQSIDJPDAM-UHFFFAOYSA-N 361.453 2.347 0 40 FEAB CC1(C)Cc2cccc(OCCNC(=O)CCNC(=O)c3ccco3)c2O1 32049967 RLXKRWVIIASXSL-UHFFFAOYSA-N 372.421 2.308 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(C(F)(F)F)c1)CC(O)=N2 20738266 VTBNTNKWHZKAKF-SNVBAGLBSA-N 353.300 2.226 0 40 FEAB C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(NC(N)=O)cc1 32926484 UYQKNUHFTAPQOR-LLVKDONJSA-N 360.439 2.236 0 40 FEAB Cc1cccc(OCCNC(=O)COC(=O)c2cc(Cl)cn2C)c1 22003231 SBWDGYUWIMSTEB-UHFFFAOYSA-N 350.802 2.339 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)cc1 1289876 AJRXQVUZLAUVIF-QGZVFWFLSA-N 366.417 2.208 0 40 FEAB CCO[C@@H]1CCC[C@@H](n2cnc3c(I)ncnc32)O1 1677270 XQWOMJKBDAYVKF-IUCAKERBSA-N 374.182 2.493 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cc1OC 47383488 VYCDGMXVDCOEJS-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1CCOC 6879734 TVAYDYFDTVSWIE-UHFFFAOYSA-N 362.499 2.328 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12408281 NYIDSBWWFVVTDI-HOTGVXAUSA-N 355.438 2.315 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccccc2F)N2NC(c3cccs3)=NC2=N1 940743 GZXPRJRDMZLURL-CQSZACIVSA-N 355.398 2.324 0 40 FEAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 12544816 PXRNDNXTNILEKW-UHFFFAOYSA-N 374.871 2.439 0 40 FEAB O=C(NCc1ccccc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 12593206 ZZDHRSGDFMQQDC-UHFFFAOYSA-N 374.824 2.434 0 40 FEAB CC(C)C(NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(C)C 20461636 LUENBCFDFLEWLN-HNNXBMFYSA-N 354.472 2.010 0 40 FEAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)cc1 24149209 VDJVQSHGWRQTQA-UHFFFAOYSA-N 366.377 2.275 0 40 FEAB C[C@H](NC(=O)CSCC(=O)N1CCCCC1)c1nc2ccccc2[nH]1 12507058 AYTGLYBNZFMXSQ-ZDUSSCGKSA-N 360.483 2.486 0 40 FEAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1 9939490 IXLZLXWOKSJALX-HOTGVXAUSA-N 372.446 2.332 0 40 FEAB CCOC(=O)/C=C1\S[C@H](C)C(=O)N1CC(=O)Nc1cccnc1Cl 12528942 AMMXDMWSHIEPDI-JBBGTMGVSA-N 369.830 2.042 0 40 FEAB Cc1nc(-c2c[nH]c(C(=O)N3CCN(c4cnccn4)CC3)c2)cs1 25343233 QRMHPMIRXKQGKK-UHFFFAOYSA-N 354.439 2.199 0 40 FEAB Cc1noc(C)c1CCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25341983 PSUWMCPTYMQJQK-UHFFFAOYSA-N 371.437 2.013 0 40 FEAB COCCCNC(=O)[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 56177445 XDMDGLBYVDPXGP-KKUMJFAQSA-N 367.465 2.392 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 57021798 GDHWILOZRUEVBP-OAHLLOKOSA-N 350.827 2.405 0 40 FEAB O=S(=O)(CCn1cnc2ccccc21)N[C@H]1CCOc2ccccc21 12606487 RXMBHZWZDVYKMK-HNNXBMFYSA-N 357.435 2.480 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccnc1N1CCCC1 44542129 DQLFIJOURLUCGF-HUUCEWRRSA-N 370.453 2.186 0 40 FEAB CS(=O)(=O)Cc1ccc(CNCc2csc(-c3ncccn3)n2)cc1 48289433 PMTSNXHXHNFGHC-UHFFFAOYSA-N 374.491 2.435 0 40 FEAB C[C@H](NCc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58165419 KMVFQXCTJDALDX-NSHDSACASA-N 367.858 2.104 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 58172323 WFMXPEZWGRPBSY-SFHVURJKSA-N 371.481 2.050 0 40 FEAB CCn1c(C(=O)NC2CCN(CC(=O)NC(C)C)CC2)cc2ccccc21 58167744 COFXNIPDLDKJGM-UHFFFAOYSA-N 370.497 2.380 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10357367 DGKBWCOAVYKWAT-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB COc1ccc2[nH]c(CSc3nnc(-c4cccs4)n3N)nc2n1 95468079 FUSRWAUWWBORFD-UHFFFAOYSA-N 359.440 2.293 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1cccc(Cl)c1 2333495 VYXBPRIYKZRQMR-ZDUSSCGKSA-N 360.797 2.215 0 40 FEAB CC(C)CCNc1nc2c(c(=O)n(Cc3cccc(F)c3)c(=O)n2C)n1C 2351749 WULKDWNNAIQYQL-UHFFFAOYSA-N 373.432 2.079 0 40 FEAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NCC(F)(F)F 3555011 DVBFFSSDYUCPMH-UHFFFAOYSA-N 367.323 2.144 0 40 FEAB Cc1nn(C)c2c1[C@@H](c1cccc(F)c1)[C@H](NC(=O)c1ccco1)C(=O)N2 12982015 LTDKOWUIUPUECX-CVEARBPZSA-N 368.368 2.343 0 40 FEAB COc1ccc(C)cc1NC(=O)CCc1c(C)nc2nc(N)nn2c1C 12919158 ISHHBFSDQUIKNE-UHFFFAOYSA-N 354.414 2.212 0 40 FEAB CNC(=O)c1ccc(=O)n(Cc2csc(-c3ccccc3OC)n2)c1 63538433 PRNPSHBARJZCDR-UHFFFAOYSA-N 355.419 2.388 0 40 FEAB CN1C(=O)c2ccc(NC(=O)COC(=O)C=C3CCCCC3)cc2C1=O 64131931 XZLVKVGHTAEWQL-UHFFFAOYSA-N 356.378 2.285 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(C(F)(F)F)cc1 8996009 TVXZWMNYCLPLHK-UHFFFAOYSA-N 363.295 2.347 0 40 FEAB Nc1nnc(SCc2cc(O)n3nc(-c4ccccc4)nc3n2)s1 13625053 JJOPMCRTAQCWCT-UHFFFAOYSA-N 357.424 2.223 0 40 FEAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 5025818 LRDRKLAEMBKUGA-UHFFFAOYSA-N 357.435 2.331 0 40 FEAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cc2ccccc2o1 8922190 NTKVAHSVBNSMPU-GFCCVEGCSA-N 363.373 2.313 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC=C(F)C1)C2=O 95464784 PGJVIKLNWCYABU-KPZWWZAWSA-N 351.422 2.209 0 40 FEAB C[C@@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1nc[nH]n1 95454406 QOWTVGUDIVWWJD-SECBINFHSA-N 370.381 2.374 0 40 FEAB Cc1sc2nc(SCCC(=O)NC(N)=O)n(C(C)C)c(=O)c2c1C 14181247 OZBUMVNWYYMBKO-UHFFFAOYSA-N 368.484 2.333 0 40 FEAB Cc1c(OCC(=O)NCCCN(C)C)ccc2c3c(c(=O)oc12)CCC3 6659760 DZDYUYCAGDYHFE-UHFFFAOYSA-N 358.438 2.037 0 40 FEAB O=C(COc1ccccc1)NCCNC(=O)c1nc(C2CCCCC2)no1 15082901 LSOURABVNBXBTD-UHFFFAOYSA-N 372.425 2.042 0 40 FEAB COc1ccc([C@H](Nc2ccccn2)c2oc(CO)cc(=O)c2O)cc1 19880793 HYMRQKDFQORIBA-KRWDZBQOSA-N 354.362 2.443 0 40 FEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 7345912 CUAKJAJAVAHDIR-KBPBESRZSA-N 368.499 2.403 0 40 FEAB CCCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O 9376385 MKSIWYUSELUWPE-UHFFFAOYSA-N 350.488 2.159 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)cc1C 8265994 RKYIJGWWBGWSNK-UHFFFAOYSA-N 364.442 2.427 0 40 FEAB O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCCC2(C1)OCCO2 95430609 IKRAGSVZSVTZDX-UHFFFAOYSA-N 360.439 2.076 0 40 FEAB CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1 17208381 PZKCPYPRBWLMDC-UHFFFAOYSA-N 368.488 2.364 0 40 FEAB CCc1cc(=O)n2nc(N3CCC(c4nncn4C4CC4)CC3)sc2n1 83820270 MWRCPMABTGUPDO-UHFFFAOYSA-N 371.470 2.024 0 40 FEAB COC(=O)[C@H](O)C1CCN(C(=O)c2cc(-c3ccc(C)cc3)no2)CC1 84171838 WRKOKJWLTDWQNW-QGZVFWFLSA-N 358.394 2.036 0 40 FEAB C[C@@H]1CCCN1CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 97163855 VRPOGYMMCDCTLE-OAHLLOKOSA-N 368.481 2.337 0 40 FEAB CSc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)s1 32926674 VUUHMRXSTPRHSH-UHFFFAOYSA-N 356.494 2.090 0 40 FEAB CC(C)n1nccc1[C@@H]1CN(CC2CCCCC2)C[C@]12OCCNC2=O 306137575 RAFYDELPLKKJTB-PXNSSMCTSA-N 360.502 2.329 0 40 FEAB CN(CC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ncccn1 23173386 SCAPFZBWLNCMMD-UHFFFAOYSA-N 368.315 2.114 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1Cl 408552233 KFPLEYVAJSUWKF-NSHDSACASA-N 362.879 2.178 0 40 FEAB CCOc1cccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1 507578849 IDHCYCGKKPBUML-UHFFFAOYSA-N 368.437 2.133 0 40 FEAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1ccc2c(c1)OCCCO2 71279883 XOPQAXIWJJGKBN-UHFFFAOYSA-N 374.788 2.218 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOC[C@@H](C2CCC2)C1 564091690 BYNBLBTXIXMZTB-KSSFIOAISA-N 360.454 2.138 0 40 FEAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccsc1C(=O)O 565106013 WTUVJZVXARDAJF-JTQLQIEISA-N 354.453 2.287 0 40 FEAB C[C@@H](CC(=O)NCC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 199420362 IGQXDPCOCZWBKA-AWEZNQCLSA-N 369.421 2.435 0 40 FEAB c1ccn(-n2c(CCCN3CCCC3)nnc2CCCN2CCCC2)c1 225152213 UIOVAQVNYGYUKZ-UHFFFAOYSA-N 356.518 2.448 0 40 FEAB COc1ccccc1C(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386131 JHWOUKDSCVKAFG-INIZCTEOSA-N 350.374 2.487 0 40 FEAB COc1ccc(Br)cc1CCC(=O)N1CC(n2ccnn2)C1 225691723 MLEDDYKBABABNW-UHFFFAOYSA-N 365.231 2.065 0 40 FEAB Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CCO2)no1 332870366 MOFHATDPKUOXRC-ULQDDVLXSA-N 372.425 2.381 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 96227456 JQJPFNIZFXLFIT-PXNSSMCTSA-N 356.470 2.404 0 40 FEAB O=C(c1cccnc1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239727 WDLTZUHAZSQQCI-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB O=C1C[C@@]2(CCN(CC3CCOCC3)C2)CN1c1ccc2c(c1)OCO2 96050786 RPJOJIQTFFSFGV-HXUWFJFHSA-N 358.438 2.271 0 40 FEAB O=C(c1ccncc1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96215321 QXLMMALCZOBDFC-QUCCMNQESA-N 353.422 2.457 0 40 FEAB CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1nc(C)cs1 249077707 BPWKLFYJAKJURC-UONOGXRCSA-N 354.520 2.389 0 40 FEAB CN(C)C[C@@H]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)OC1 248120965 NCOFEKAWENJSRC-ZDUSSCGKSA-N 358.891 2.071 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccccn2)n1 248056477 CDRVAYGLULGMAH-INIZCTEOSA-N 353.422 2.233 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1F 257288175 PTEQCLNBJJUYGT-QAPCUYQASA-N 358.417 2.207 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257316670 VGNMQBMZMYKKAD-HNNXBMFYSA-N 353.419 2.348 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCN2C)n1 284614288 KNLGFXKPSUJZDC-OAHLLOKOSA-N 353.382 2.162 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOc2ccccc2C1 652399173 UMRYBBADWGNMQW-CQSZACIVSA-N 354.406 2.284 0 40 FEAB COc1ccccc1CNC(=O)C[C@H]1NC(=O)c2ccccc2N=C1O 36596575 RDHLIXLHBBXTAN-OAHLLOKOSA-N 353.378 2.102 0 40 FEAB biogenic Cc1cc(C)cc(C2(C(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)CC2)c1 673942598 GSEJKSIWDJNHHJ-HXUWFJFHSA-N 369.465 2.172 0 40 FEAB Cc1nc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)sc1C(=O)O 679398770 LEQAZRGLCDDGBI-VXGBXAGGSA-N 374.418 2.341 0 40 FEAB Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2F)OCCO)cc1 96338001 CIMFNPYBHGBPAW-INIZCTEOSA-N 371.405 2.302 0 40 FEAB NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)cc(F)c2)cc1 46578016 SBRJNDPEDPWHJP-UHFFFAOYSA-N 366.389 2.417 0 40 FEAB O=C(O)CCN(C(=O)c1cc(O)nc2cc(F)ccc12)C1CCOCC1 577682421 RSFWEGBCKJWKGJ-UHFFFAOYSA-N 362.357 2.175 0 40 FEAB COc1ccc(OC)c(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)c1 5172451 XOSGZTGOGSWXFX-XNTDXEJSSA-N 364.423 2.030 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ncc(Cl)c(Cl)c1Cl 5359110 YAYUTFWZNDTZHR-BYPYZUCNSA-N 354.577 2.043 0 40 FEAB O=C(CCCn1cncn1)N1Cc2ccccc2OC2(CCOCC2)C1 12121839 KGIBWAXKNPGDRP-UHFFFAOYSA-N 356.426 2.029 0 40 FEAB CCO[C@H](C)c1ncc(C(=O)N2CCCN(c3cccnn3)CC2)s1 608126988 RQMCTKRHHMCVDL-CYBMUJFWSA-N 361.471 2.383 0 40 FEAB COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2 31829998 YUIGSRGRYOBFRF-VQTJNVASSA-N 355.390 2.102 0 40 FEAB biogenic,in-vitro CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cncc(Br)c1 5178246 WYAKQTLIEISRDY-UHFFFAOYSA-N 373.210 2.353 0 40 FEAB Cc1ccc(C)c(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 1889122698 WHSWAXPMCUTFKA-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB CCn1nnc2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 15198253 LMHUTBKZDPMROQ-GFCCVEGCSA-N 372.450 2.346 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)NCCC2=CCCCC2)s1 21003089 BWAGVLPWUFOGTL-UHFFFAOYSA-N 356.513 2.460 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cnc[nH]3)CC2)CN1c1cccc(F)c1 2037840654 PSHGEUZGPVFCRB-IBGZPJMESA-N 358.417 2.337 0 40 FEAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3cccc(OC)n3)C2)C1 2056223446 LUGWMHXOUOCRJX-HXUWFJFHSA-N 361.486 2.445 0 40 FEAB COc1cc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)on1 1614938113 RBALWZNSKMVFQH-GOSISDBHSA-N 359.357 2.092 0 40 FEAB O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1csnn1)CCC2 1565545749 NQFAUZQJGHVJDF-UHFFFAOYSA-N 368.422 2.033 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 3015779 RLKNDHDUYNNPLE-UHFFFAOYSA-N 353.426 2.157 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C 4373236 UQYOQSJIPTZGHX-INIZCTEOSA-N 366.421 2.329 0 40 FEAB CCCCN(C(=O)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11025931 WZIDKBOMCKJBMR-SNVBAGLBSA-N 364.261 2.472 0 40 FEAB Cc1ncnc(C(=O)N2CCC3(CC2)CCN(c2ncccn2)C3)c1C 2055803622 YMRCGRLCTMRUBK-UHFFFAOYSA-N 352.442 2.016 0 40 FEAB COc1ccc(CC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 22765399 YEOCRLCVJXMOTJ-LJQANCHMSA-N 373.522 2.404 0 40 FEAB CN1C(=O)c2cccc3cc(S(=O)(=O)Nc4nccs4)cc(c23)C1=O 41124773 HYKYPJNLRKTLIR-UHFFFAOYSA-N 373.415 2.323 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)cc2)cc1 30208262 CXYOPTCLZOMYOY-UHFFFAOYSA-N 354.406 2.170 0 40 FEAB O=C(c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1)N1CCOCC1 100615669 AETLTPDSRYCINJ-JKSUJKDBSA-N 374.824 2.181 0 40 FEAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1 31812059 BMDROYGLWYUVAO-QGZVFWFLSA-N 360.389 2.159 0 40 FEAB Cc1cc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)no1 20744506 ZHEWKTUAXIBQOQ-UHFFFAOYSA-N 357.351 2.457 0 40 FEAB O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)N1CCCC1 32240768 KDSNYGKDYRKRRC-UHFFFAOYSA-N 374.872 2.202 0 40 FEAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 32795879 PYXXLYOADZOXGV-NWDGAFQWSA-N 367.243 2.049 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1F 32722526 GCBNSBGOPYGEBV-UHFFFAOYSA-N 369.400 2.064 0 40 FEAB COc1ccc(C(N)=O)c(OCc2cc(=O)oc3cc(OC)ccc23)c1 32958214 RFHHXORATQGHJO-UHFFFAOYSA-N 355.346 2.488 0 40 FEAB O=C(CCNC(=O)c1ccoc1)NCc1cccc(NC(=O)C2CC2)c1 32914324 FEQBJEFPNCSGSY-UHFFFAOYSA-N 355.394 2.064 0 40 FEAB COC(=O)c1c(NC(=O)COC(=O)C[C@@H]2CCCO2)sc2c1CCC2 46542561 MEPXXLFUOZGOOC-JTQLQIEISA-N 367.423 2.074 0 40 FEAB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)c1 12196180 XIQMZQDAGOLNAS-KRWDZBQOSA-N 372.421 2.465 0 40 FEAB O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@H]1CCCc2ccccc21 9478142 IYNWWBYXQFWHBN-ZBFHGGJFSA-N 373.482 2.138 0 40 FEAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 846859 ZMYXXEWSYDZXHU-LBPRGKRZSA-N 366.373 2.487 0 40 FEAB CN1CCN(C(=O)Nc2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 79076030 VBAAPHIFDUVYEY-OAHLLOKOSA-N 366.437 2.498 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 6325767 ILHVELNGZRTEGB-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CCNC(=O)c3ccc(F)cc3F)cc12 22848040 SEOXNAGCVOBKBY-UHFFFAOYSA-N 373.363 2.314 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc2C)c1 101591006 AOALFSXXHFNACC-UOVPBQLFSA-N 351.406 2.215 0 40 FEAB O=C(CF)N[C@@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl 3137342 JFFVWAHKQMYDBI-VIFPVBQESA-N 374.652 2.461 0 40 FEAB Cc1nc2ccccc2n(CC(=O)Nc2nnc([C@H]3CCCO3)s2)c1=O 72404087 YHXMKPBHAPWZSF-CYBMUJFWSA-N 371.422 2.047 0 40 FEAB Cc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1 24491933 UMQHFHGLIHMGRN-UHFFFAOYSA-N 354.292 2.238 0 40 FEAB CCOC(=O)c1c(C)n(C)c2ccc(Oc3ccc4nnnn4n3)cc12 12542558 XMAVPXMXUYYKRV-UHFFFAOYSA-N 352.354 2.288 0 40 FEAB C[C@@H](C(=O)NCCn1ccc2ccccc21)n1nnc2ccccc2c1=O 72403510 NTFYLMAGKWDYCY-AWEZNQCLSA-N 361.405 2.124 0 40 FEAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c1OC 102896289 MBVDMQVQRWWGMV-MAUKXSAKSA-N 366.373 2.305 0 40 FEAB Cc1cnc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 26106647 VFNLTTHCUYYDGF-UHFFFAOYSA-N 350.422 2.482 0 40 FEAB CCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O 3206646 BXJHDVZRAOKAHV-UHFFFAOYSA-N 357.432 2.389 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C 12794443 GTBZWUHEXCHJID-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)O 12764554 FHSBFVYPKANALJ-GXSJLCMTSA-N 360.505 2.314 0 40 FEAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2Cc2ccccc2)c2ccccc21 36354007 BZPLSNIBNCMRDH-QHCPKHFHSA-N 369.424 2.275 0 40 FEAB CC(C)NC[C@@H](O)COCCOc1c(F)cc(Br)cc1F 27530941 XKFOMYZSIKKKLJ-LLVKDONJSA-N 368.218 2.482 0 40 FEAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCC(=O)O 2417471 FKKGPBFCUMTGNS-LBPRGKRZSA-N 373.405 2.420 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 28962286 JYYCTIKFVCULEF-QGZVFWFLSA-N 359.401 2.304 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C)ccc1OC 45822117 FVJOHQYMVGSPLC-LJQANCHMSA-N 353.422 2.340 0 40 FEAB Cc1cc(C)c([C@@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1C 12894092 VGDIAKMFMYRWMS-MRXNPFEDSA-N 365.437 2.232 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)C1=CCCC1 12857311 BYPCSKMSVMUPLF-HXUWFJFHSA-N 369.421 2.133 0 40 FEAB Cc1noc(C)c1C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 60083111 HBZSCNKDKAUWOF-STQMWFEESA-N 371.437 2.471 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CCOc2ccc(Br)cc2)C1=O 3454163 PVGNEAILDVLKDA-UHFFFAOYSA-N 369.215 2.275 0 40 FEAB Fc1ccc([C@@H](CNC(=S)NCc2ccco2)N2CCOCC2)cc1 12944419 XJPRMBBJJKECHL-QGZVFWFLSA-N 363.458 2.456 0 40 FEAB Cc1nn(C)c2c1[C@H](c1cccc(F)c1)[C@H](NC(=O)c1ccco1)C(=O)N2 12982011 LTDKOWUIUPUECX-HOTGVXAUSA-N 368.368 2.343 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060375 MMUOMHHHRBXVGW-SNVBAGLBSA-N 358.352 2.486 0 40 FEAB Cn1c(-c2ccccc2Cl)nn(CN2CCC(C(N)=O)CC2)c1=S 4177002 XYTONCATDRBBGK-UHFFFAOYSA-N 365.890 2.426 0 40 FEAB COc1cc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1 14141111 ODYCBRWYGOVORX-FPYGCLRLSA-N 351.366 2.331 0 40 FEAB COC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 71333891 LPOZACQEIYBCQE-GFCCVEGCSA-N 356.357 2.093 0 40 FEAB COc1cc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)ccc1OC(F)F 6641894 NGWQBHAZCUPFJR-LBPRGKRZSA-N 354.231 2.379 0 40 FEAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6661344 APYCFTGSGRIZEA-UHFFFAOYSA-N 369.443 2.322 0 40 FEAB C[C@@H]1CCCCN1C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346179 PJZNCSSLURGLHS-CQSZACIVSA-N 360.483 2.307 0 40 FEAB CCOc1ccc(CCNC(=O)CSc2ncn[nH]2)cc1OCC 15869407 WXSFURZWNPUWJW-UHFFFAOYSA-N 350.444 2.053 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)Cn1cnc2ccccc2c1=O 16147240 JDPRPWJRIHGYDW-UHFFFAOYSA-N 351.406 2.242 0 40 FEAB CNC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 7814036 ZFRVAKQTEBKVIR-UHFFFAOYSA-N 359.813 2.458 0 40 FEAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 8167524 BSOZWYCGQODDOU-CQSZACIVSA-N 366.464 2.231 0 40 FEAB COC(=O)N[C@H](C(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1)C(C)C 95458888 RQAWBQJEAVDUAQ-UHOFOFEASA-N 352.431 2.268 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)CNC(=O)CCC2CCCC2)cc1C 72313371 DSFLSBYACAQXFJ-UHFFFAOYSA-N 366.483 2.195 0 40 FEAB CNC(=O)CN1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 69923581 LRVLKSPUGAFZLM-LJQANCHMSA-N 360.502 2.202 0 40 FEAB COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1 512387406 NEBNFIREGZWKKP-KRWDZBQOSA-N 364.405 2.432 0 40 FEAB O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218060775 IAIHLIFPOLPONP-YQQAZPJKSA-N 366.822 2.343 0 40 FEAB CC(F)(F)CNS(=O)(=O)c1ccc(C(=O)O)cc1Br 567864359 DKBPYBNZEVMWHA-UHFFFAOYSA-N 358.160 2.081 0 40 FEAB COc1ccc([C@H]2CCCN2Cc2oc(CO)cc(=O)c2O)c(OC)c1 70666269 LZAZLIVRMAHUHL-OAHLLOKOSA-N 361.394 2.192 0 40 FEAB biogenic CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222727880 JWKIYSVGNHCZBW-HNNXBMFYSA-N 370.449 2.410 0 40 FEAB O=C(Nc1cccc(CS(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 223219551 ZDUQLEXSVDIJSX-MRXNPFEDSA-N 352.456 2.120 0 40 FEAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc(F)c(Cl)c1 224172832 QWWMQNPIKGRUAG-UHFFFAOYSA-N 365.796 2.427 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227535 OCTFQMFMTBILLS-WIYYLYMNSA-N 367.424 2.318 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccs1 96208174 NIRHCSLRLSHOSZ-YSVLISHTSA-N 350.484 2.023 0 40 FEAB Cc1cc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3ccncc3)C2)c(C)o1 96075084 UVTZOGLUZBSQGT-XLIONFOSSA-N 353.422 2.460 0 40 FEAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 96039752 RUSLCUHAPSHNIG-AEFFLSMTSA-N 352.500 2.224 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96158340 PLVNPBDNPQRFNP-IBGZPJMESA-N 355.417 2.452 0 40 FEAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1CC1CC1 96111638 YZRFPKTYSHRGPD-ZFWWWQNUSA-N 353.378 2.093 0 40 FEAB biogenic,in-vitro COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC1CC1)NC2=O 247953908 NDWGAJHSHGEKTJ-LPADPPLNSA-N 356.422 2.229 0 40 FEAB Nc1cc(CC[C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)ccn1 257336012 YMUUOFTUGDLJHY-KRWDZBQOSA-N 359.401 2.042 0 40 FEAB CN(C)S(=O)(=O)N1CC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257297583 RHYDWDPTEJKJEG-ZDUSSCGKSA-N 353.419 2.000 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC2(CC1)OCCO2 24996355 DZFMWTTUOLKBPX-UHFFFAOYSA-N 355.438 2.397 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCN(C(=O)c2ccoc2)CC1 24994888 OZGSFCKMOVBNGW-INIZCTEOSA-N 356.426 2.059 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2nc(C(F)(F)F)cs2)CC1 374567509 YEABXHYMUKXEIP-UHFFFAOYSA-N 355.407 2.166 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@H](C(F)(F)F)[C@H]3C)cc2=O)cc1 619258735 MWELKIYJZACGRR-ABAIWWIYSA-N 369.343 2.266 0 40 FEAB CN1CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H](c2ccccc2)C1 642514886 GQVNQDSPKVNCMK-QGZVFWFLSA-N 356.401 2.445 0 40 FEAB CN(C(=O)c1cc(C2CC2)n(C)n1)[C@@H]1CCN(c2ccccc2F)C1=O 607832127 AIYCNJYUMHVONZ-MRXNPFEDSA-N 356.401 2.314 0 40 FEAB C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096277 FDGKUZCOCPAAAE-ZDUSSCGKSA-N 365.437 2.294 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)C[C@@H]2COc3ccccc3O2)c1C 35269310 PSJQOFYNEFFRRM-CQSZACIVSA-N 372.421 2.373 0 40 FEAB O=C(NC[C@H]1COCCO1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 57080201 REBPRCKPWQIYSO-FUHWJXTLSA-N 370.453 2.023 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1OC 88777290 MXTHGQKJXZFZIM-ZDUSSCGKSA-N 365.455 2.304 0 40 FEAB CCc1ncnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1F 301992403 NEJLOPJPYPTGEO-UHFFFAOYSA-N 356.327 2.314 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)NC[C@H]1CCCO1 5167346 WUMAWECGWMWGHV-CQSZACIVSA-N 369.450 2.179 0 40 FEAB CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 12068298 CSHNUEMZXZLKJW-UHFFFAOYSA-N 374.418 2.168 0 40 FEAB CCOCCCNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713584 PLETXKSONOMVDG-INIZCTEOSA-N 356.488 2.082 0 40 FEAB O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 19375470 BOXYYAFFZCXHCM-MOPGFXCFSA-N 364.449 2.100 0 40 FEAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 225632364 XSUGCSPMSLYGFA-KBPBESRZSA-N 355.818 2.286 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)N[C@@H]2CCCC[C@H]2C)c3=O)cc1 12233747 OWELIXUELXKIQB-GDBMZVCRSA-N 367.453 2.407 0 40 FEAB COCCCNC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 16942555 ODYSJFAASYBPFD-UHFFFAOYSA-N 354.476 2.293 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C 6176018 XLJJLDPAMOFFCP-SECBINFHSA-N 363.277 2.031 0 40 FEAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4Cc3ccncc3)cn2c1 1565551186 AZCOJJYLTJALMV-OALUTQOASA-N 361.449 2.413 0 40 FEAB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(C)=O)C(F)(F)F 9302632 OOSIUZMOOOROPS-HNNXBMFYSA-N 362.348 2.046 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2)cc1 9571406 NSOLDZPGRKBBGY-UHFFFAOYSA-N 368.397 2.391 0 40 FEAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2cccs2)c3=O)cc1 12233791 ZXMIDXXBFDFHBU-UHFFFAOYSA-N 367.434 2.090 0 40 FEAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967152 HGOHMTMUKJXWRX-MRXNPFEDSA-N 355.438 2.094 0 40 FEAB O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1ccc(F)c(F)c1 211074649 UJPHARGDKXYBPW-UHFFFAOYSA-N 374.347 2.348 0 40 FEAB Cc1nccc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 575607156 APDZWVCKFSUVQP-OAHLLOKOSA-N 365.430 2.465 0 40 FEAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc(Br)cs1 575414437 LLLSBFFYUCBGTM-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](OCCO)c2cccs2)c(C)c1 575621719 RSEJJHLIEPOQCR-AWEZNQCLSA-N 371.480 2.094 0 40 FEAB CC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 40007683 QWQLZSMEOHDPOZ-IBGZPJMESA-N 357.429 2.495 0 40 FEAB Cc1ccc(CNC(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 40152976 IJSZISWJFIRICK-UHFFFAOYSA-N 352.438 2.494 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)cc1 32238421 YGWSWWCSNQAASS-UHFFFAOYSA-N 354.454 2.114 0 40 FEAB O=c1c(NC2CCCCC2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101695692 VWHPBDHSCSFWPU-UHFFFAOYSA-N 357.429 2.493 0 40 FEAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)[C@H]1CCS(=O)(=O)C1 32865688 HKHCQUAVYBOOTL-NSHDSACASA-N 373.496 2.497 0 40 FEAB Cc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)sc1C 21631008 QYPOPGXLWLLZTO-UHFFFAOYSA-N 371.506 2.439 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OCC 103155545 JFSDGUHUVNAULE-AHCXZYCDSA-N 359.422 2.189 0 40 FEAB CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C 2550452 VKBUPYVPBFLCOA-UHFFFAOYSA-N 364.471 2.460 0 40 FEAB Cc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)c(S(=O)(=O)N(C)C)c1 53874707 YRLSVSOFEOJWTA-CABCVRRESA-N 368.499 2.319 0 40 FEAB CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(F)cc2F)c1 3052344 FZTKHCKTEDJDJF-UHFFFAOYSA-N 356.350 2.402 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1 24917631 SHRDNUHYNOXUFA-UHFFFAOYSA-N 369.782 2.073 0 40 FEAB COC(=O)C1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCCCC1 25174856 GLXFUSCBRDBECE-UHFFFAOYSA-N 358.438 2.415 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)c1csc2c1CCCC2 102220977 ZAXVJMCAJYSASA-KUDNYVPYSA-N 356.447 2.469 0 40 FEAB CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1[C@H]2O 100786296 HYRPLPZQZOSPPF-HHLSMWDISA-N 361.526 2.280 0 40 FEAB COc1ccccc1NC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25314530 WYUYXVYBSGZZMQ-UHFFFAOYSA-N 369.421 2.489 0 40 FEAB O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)C2CC2)CC1 25348196 YZTQGALSVVKNTF-GQCTYLIASA-N 353.216 2.136 0 40 FEAB COc1ccc(N[C@H](C)C(=O)NC2CCC(C)CC2)cc1OCC(N)=O 56160340 ZICPCZZXMBYZOC-ROKHWSDSSA-N 363.458 2.055 0 40 FEAB CCCC[C@@H]1C[C@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1819557 RDAGPFNTAQTVJC-MEBBXXQBSA-N 356.517 2.357 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)c(OC)c1 12680276 AHDGDHDEASTOGN-UHFFFAOYSA-N 367.361 2.443 0 40 FEAB CN(C)c1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)ccn1 48191230 QBMRITVCWHJIED-HNNXBMFYSA-N 354.458 2.443 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)Cc3nc(C)sc3C)CC2)no1 178383005 HGOJFZKBABKUFU-UHFFFAOYSA-N 362.455 2.476 0 40 FEAB O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 28254687 PHMGSWUKESFTDU-UHFFFAOYSA-N 362.382 2.276 0 40 FEAB CCC(=O)Nc1ccc(Cl)c(NC(=O)CCN2C(=O)CCC2=O)c1 46185202 KAQDIYYREZGOKL-UHFFFAOYSA-N 351.790 2.166 0 40 FEAB C[C@@H]1CCC[C@](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)(N(C)C)C1 60410780 UZZLSRPCZVEGNI-GUXCAODWSA-N 361.486 2.255 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 3460196 CREAZIFBKYBJJO-IBGZPJMESA-N 371.824 2.423 0 40 FEAB CCOC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 3484209 FFTAAYCWQDWKEE-UHFFFAOYSA-N 361.329 2.394 0 40 FEAB COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)c(OC)c1 3585780 IUPIXNSGZAAUQV-UHFFFAOYSA-N 371.437 2.162 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cccn1 12977573 JFJPLXWOMYRDHT-UHFFFAOYSA-N 362.455 2.005 0 40 FEAB Cc1noc(C)c1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 13006136 XWXKOZAEIKAHPW-UHFFFAOYSA-N 367.409 2.299 0 40 FEAB COc1ccccc1CN1C(=O)C(=O)N(CC(=O)c2ccc(F)cc2)C1=O 4042272 KFICRNPXWAWCAC-UHFFFAOYSA-N 370.336 2.008 0 40 FEAB O=C1c2sc3nc4c(c(=O)n3c2C(=O)N1Cc1ccccc1)CCC4 5010289 MVACZJIFOKBVSA-UHFFFAOYSA-N 351.387 2.041 0 40 FEAB CN(Cc1ccccc1Cl)C(=O)CNC(=O)c1ccc2c(c1)OCO2 5173222 LBFJWZSGIFQJCW-UHFFFAOYSA-N 360.797 2.457 0 40 FEAB COC(=O)C1CCN(C(=O)CN(Cc2ccc(OC)cc2)C2CC2)CC1 49974985 YJPXSLKOQWBCAT-UHFFFAOYSA-N 360.454 2.071 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cnc3sccn3c2=O)c1 14245188 MKLIMTYXZSQFMP-UHFFFAOYSA-N 370.434 2.084 0 40 FEAB Cc1c(NC(=O)CC2(C(=O)O)CCCC2)cccc1C(=O)N1CCOCC1 67456159 IJFUTUHZMXWDNK-UHFFFAOYSA-N 374.437 2.441 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2C1=O 7345473 ALCJEBWKILGEHZ-UHFFFAOYSA-N 370.380 2.388 0 40 FEAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)c1 7452656 FAYVKEIOJZXDOK-ZDUSSCGKSA-N 355.394 2.399 0 40 FEAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 71850108 PQIDTHZELFJEDA-UHFFFAOYSA-N 369.425 2.121 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8634504 PRJCSAYEMUKGSJ-LJQANCHMSA-N 352.346 2.065 0 40 FEAB Cc1nc(COC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)oc1C 69952055 ASWFYHWGCUWAHW-UHFFFAOYSA-N 352.412 2.335 0 40 FEAB O=C1CCSc2ccc(C(=O)N3CCCC[C@@H]3C3OCCO3)cc2N1 95393787 NTVAOEXCDVZYTE-CQSZACIVSA-N 362.451 2.489 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-n2ccnc2)c1 95410204 QGNHSWMPKZAAGX-HNNXBMFYSA-N 351.385 2.415 0 40 FEAB Cc1cc(NC(=O)c2cccc3c2ccn3C)n([C@H]2CCS(=O)(=O)C2)n1 95477892 PCPUOOPSMHNCIW-ZDUSSCGKSA-N 372.450 2.295 0 40 FEAB O=C(CCC(=O)c1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O 32995975 DQJLJNLEWJIRLT-UHFFFAOYSA-N 361.373 2.075 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCN(C)C)cc1 37021527 LZVWVOWHQCGXDN-UHFFFAOYSA-N 361.467 2.087 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCOc1ccccc1 524730421 IQWPMHUHKOJPQI-CDXJDZJCSA-N 366.417 2.292 0 40 FEAB biogenic CCOCCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1 217642764 KQEBGHAWORHVHY-UHFFFAOYSA-N 370.471 2.080 0 40 FEAB Cc1cc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)no1 38488049 IOZGMFIBWNMOGR-UHFFFAOYSA-N 358.785 2.290 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530353 MLFGWZXENCWFJJ-UHFFFAOYSA-N 369.444 2.107 0 40 FEAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 72322008 WYRSPXNXTBMJJJ-KRWDZBQOSA-N 361.467 2.406 0 40 FEAB biogenic,in-vitro CN(Cc1ccccc1F)C(=O)CN(C1CCCCC1)S(C)(=O)=O 226040381 PBMNROXSLFSHPL-UHFFFAOYSA-N 356.463 2.378 0 40 FEAB COc1ccc([C@@H](CC(=O)N2CCCCCC2)NS(C)(=O)=O)cc1 225956807 OXKNMBXZHHFVDZ-MRXNPFEDSA-N 354.472 2.078 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 225607598 SHFFDPCSBXJBFC-GAINTDAFSA-N 374.462 2.433 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225763449 OMONVMMBNVKFBY-UHFFFAOYSA-N 367.438 2.133 0 40 FEAB C/C(=C\C(=O)NS(=O)(=O)c1cnccn1)C12CC3CC(CC(C3)C1)C2 584907914 SCXFUTVAKHOKMW-UUILKARUSA-N 361.467 2.444 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242251 UGGFCGCWGHUROI-SFHVURJKSA-N 369.509 2.218 0 40 FEAB CN(C)C(=O)CN[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96079066 DTLQXRVGRIUGAK-SFHVURJKSA-N 365.481 2.137 0 40 FEAB CN1CC[C@H](COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2 248140018 PXKGXCKUFGEAJB-HNNXBMFYSA-N 357.433 2.128 0 40 FEAB Cc1ncoc1C(=O)N1CC2(CC[C@H](CN(C)Cc3ccco3)CO2)C1 248085670 DKCLCPSANQCTJI-OAHLLOKOSA-N 359.426 2.329 0 40 FEAB CC(C)[C@@H](C(=O)N1CCOCC2(CC2)C1)n1nnc(-c2ccccc2)n1 542058428 WINNDJMCIZAMKR-INIZCTEOSA-N 355.442 2.176 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1cccc(C)c1 257312528 UOJJJLJNUQCAST-QUCCMNQESA-N 367.449 2.242 0 40 FEAB O=C(N1CCOC[C@@H](Cc2ccncn2)C1)C1(c2ccccc2F)CC1 257254093 KBOABSSVVQWYJM-HNNXBMFYSA-N 355.413 2.365 0 40 FEAB Cc1cc(NC(=O)CCCn2cc(COc3ccccc3)nn2)nn1C 252492410 MLEURGCFDDFPFD-UHFFFAOYSA-N 354.414 2.318 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@H]1Cc2ccccc2CO1 252549056 QQTBUCXEDDUPIQ-KZNAEPCWSA-N 353.422 2.424 0 40 FEAB CCc1noc([C@@H]2CC[C@H](NS(=O)(=O)c3ccsc3C(=O)O)C2)n1 1605876852 VGBGYXDCNDOTFR-BDAKNGLRSA-N 371.440 2.006 0 40 FEAB CC(C)(C)OC(=O)CN1CC[C@H](N2CCC[C@@H](c3ccncc3)C2)C1=O 595487282 FWCXEEWMQVATGK-SJORKVTESA-N 359.470 2.204 0 40 FEAB Cc1nnc(COC2CN(C(=O)[C@H](C)Oc3ccccc3Cl)C2)o1 644212314 INCGATZLLUCMTI-JTQLQIEISA-N 351.790 2.226 0 40 FEAB CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 1138084741 JDEPSBRETPGAEK-JNAXZKDPSA-N 373.497 2.223 0 40 FEAB CCc1cccnc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C(C)C 622893774 GWVPKIAVDOLNRK-RDTXWAMCSA-N 355.442 2.171 0 40 FEAB Cc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1C 677621992 YXYUJTRTVYIOMF-CQSZACIVSA-N 366.343 2.359 0 40 FEAB C[C@@H]1c2ncc(CCOCC3CCOCC3)n2CCN1Cc1cn[nH]c1 585097262 HDHRZVKPJBIQRS-OAHLLOKOSA-N 359.474 2.169 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)n2nnc(-c3ccc(C)cc3)n2)CC1 36833814 OVQAPZIVQAWDEV-CQSZACIVSA-N 371.441 2.011 0 40 FEAB c1ccc2c(c1)OCCOCCN=C(N1CCOCC1)c1cccnc1O2 1615081008 ASYOSGMYRBCPER-UHFFFAOYSA-N 369.421 2.362 0 40 FEAB Cc1c(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615153647 FXELRUAATYHXHM-FQEVSTJZSA-N 372.444 2.266 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(OC(F)F)cc1 5441324 OLKCNCRKTRPISP-UHFFFAOYSA-N 361.308 2.281 0 40 FEAB Cc1cc(NC(=O)C2CC2)sc1C(=O)OCC(=O)NCc1ccco1 11054078 YXCVYCKOGNMWJJ-UHFFFAOYSA-N 362.407 2.471 0 40 FEAB O=C(CSc1nnnn1Cc1ccco1)Nc1ccc(F)cc1F 11674135 PSJXKAIADMOFBV-UHFFFAOYSA-N 351.338 2.323 0 40 FEAB CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 14357080 LEDHVYWYDKAAIL-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)c1 19576311 DLZOVZYWCZOUAY-CSODHUTKSA-N 364.401 2.399 0 40 FEAB Cn1nnnc1S[C@@H](C(=O)Nc1ccccc1C(=O)O)c1ccccc1 19957090 IMHBZEWMEWLJIZ-CQSZACIVSA-N 369.406 2.380 0 40 FEAB O=C1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1ccccc1 2634964 DYWCIVMIPVAGPC-LJQANCHMSA-N 363.461 2.384 0 40 FEAB CCc1nc(N2C[C@@H]3CN(C(=O)[C@H]4CC=CCC4)C[C@H]3C2)nc(O)c1F 1888850425 PHKCGHYNCUWOEV-IHRRRGAJSA-N 360.433 2.135 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)c3ccccc3)CC2)cc1 16428199 CRMRUMXNUGVLDL-HXUWFJFHSA-N 374.506 2.425 0 40 FEAB O=C1[C@H](N2CC[C@@H](Oc3ccncc3Br)C2)CCN1C1CC1 1849482383 NZGQWOINKLGTGX-TZMCWYRMSA-N 366.259 2.061 0 40 FEAB CC(C)CN1C(=O)CC[C@]12CCCN(C(=O)CCc1cncnc1)CC2 1614930916 CRASBOWAFBARAY-FQEVSTJZSA-N 358.486 2.439 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1 4111158 VKYQBIFSHUMTTO-UHFFFAOYSA-N 365.437 2.340 0 40 FEAB aggregator CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O 4250558 XKOLPSHIHQIPHL-UHFFFAOYSA-N 351.410 2.165 0 40 FEAB COc1ccccc1OCC(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924899 GYDWNBANAYUGSL-OAHLLOKOSA-N 354.406 2.243 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3cccnc3)cn2)cc1 13809144 FGXNFRRQRIMBPO-UHFFFAOYSA-N 364.405 2.020 0 40 FEAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(Cl)c2)cc1 17052309 IKGSFTOFZADGSS-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB COCCN1C(=O)CCC12CCC(NC(=O)c1cc(C3CC3)on1)CC2 2055819396 FKNYVEVOSLKQRE-UHFFFAOYSA-N 361.442 2.232 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](Oc2cnccn2)C1 225468110 ABYXNTPTTYMDSD-SFHVURJKSA-N 363.421 2.405 0 40 FEAB O=C([C@@H]1CCCN(c2ncnc3ncccc23)C1)N1CCC(F)(F)CC1 2298047895 ROPHSVWBPJSAIY-CYBMUJFWSA-N 361.396 2.499 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cccc(Cl)c2)C1 40088458 HFERYIXSJLSDNE-OAHLLOKOSA-N 372.918 2.451 0 40 FEAB Cc1nc2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2nc1C 40012869 ODJGCTZIZSRQNB-UHFFFAOYSA-N 367.409 2.146 0 40 FEAB COC(=O)CCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 40050970 WVKVQXFKUTYDNU-UHFFFAOYSA-N 371.231 2.108 0 40 FEAB CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1OCC 40073533 RRPUCKGRSGTPKQ-QGZVFWFLSA-N 374.481 2.401 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CNCC4)C1 100003388 JGVNIQUKMCURKK-LBPRGKRZSA-N 373.457 2.195 0 40 FEAB C[C@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc2c(c1)OCO2 30971518 GRXDXEMHZDQKLC-JTQLQIEISA-N 373.390 2.171 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)cccc2c1 51161363 UDAAAKOUCMSNAA-OAHLLOKOSA-N 373.478 2.223 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)OCc1nnsc1Cl 20991102 IAGPQJNMACKKJI-UHFFFAOYSA-N 353.787 2.050 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc2NC1=O 32772917 CHHRRNORVVBOFS-SMDDNHRTSA-N 369.377 2.242 0 40 FEAB O=C1CN(Cc2ccc(Cl)cc2)CC(=O)N2Cc3ccccc3CN12 1579237 UINHGWHMJLILRO-UHFFFAOYSA-N 355.825 2.442 0 40 FEAB Cc1ccc(-c2cn3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 78547047 NXDZJHRUUOWYFN-UHFFFAOYSA-N 357.435 2.331 0 40 FEAB O=C1COc2cc(S(=O)(=O)NC(C3CC3)C3CC3)c(Cl)cc2N1 42158426 DFDDIKVIKBMHMX-UHFFFAOYSA-N 356.831 2.138 0 40 FEAB Nn1cc(-c2ccccc2)nc1SCC(=O)NC(=O)NC1CCCC1 4251860 MQOZGKVYWOGGIW-UHFFFAOYSA-N 359.455 2.124 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1C(F)(F)F 22857898 SSSCKSYMYQIPSO-ZDUSSCGKSA-N 370.352 2.311 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NC(=O)/C=C/c2csc(C)n2)cc1 42273144 MQTSLNRUKWRNGW-VMPITWQZSA-N 350.421 2.172 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)cc1 6316819 ASQZRVVLUAPPMU-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB CC[C@H](C(=O)OC)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958743 LSVOXJPFKPTDJL-SNVBAGLBSA-N 352.412 2.456 0 40 FEAB O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCN(C2CCCC2)CC1 104840035 NMCOKLKAHIYLMI-OAQYLSRUSA-N 371.525 2.271 0 40 FEAB CCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)C)CC1 20139464 BKSTVQSJTNRDOX-KRWDZBQOSA-N 358.490 2.164 0 40 FEAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 9064313 CAERPJQZXBLMNT-UHFFFAOYSA-N 356.407 2.300 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)nc2)cc1 12558585 RZMYONIHNUZBLO-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccccc1C)C[C@H]2O 26158360 PCULBHONNVBLTO-QGZVFWFLSA-N 370.449 2.178 0 40 FEAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 3241892 UJXKCJRVLBGGNE-CQSZACIVSA-N 353.802 2.141 0 40 FEAB CC(C)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 10278683 PVGVEVZDTXFQBX-UHFFFAOYSA-N 357.454 2.333 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 2137063 WBKTWLBGICMJFU-UHFFFAOYSA-N 357.501 2.186 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)ccc12 2132683 FLFMAUXSEZIPNJ-LJQANCHMSA-N 367.357 2.422 0 40 FEAB biogenic CC(=O)CCc1ccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 58647944 SGIPFOSYGOPOSL-QGZVFWFLSA-N 368.433 2.302 0 40 FEAB CCS(=O)(=O)N1c2ccc(C(=O)NCCCOC(C)C)cc2C[C@H]1C 20449220 AKMNCQOADNXIHN-CQSZACIVSA-N 368.499 2.332 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1cccn1 28793875 OKIUGSZTSZWYSJ-INIZCTEOSA-N 362.433 2.366 0 40 FEAB CCc1nnc(NC(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 111707115 NDPFZARRSHYMTK-UHFFFAOYSA-N 352.489 2.215 0 40 FEAB O=C(CCc1nnc(-c2ccsc2)o1)NCCC(=O)Nc1ccccn1 45830061 PEBGULWQFLTKRP-UHFFFAOYSA-N 371.422 2.271 0 40 FEAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3ccccc23)CC1 4162928 LKUTXWVQVGBGLL-UHFFFAOYSA-N 360.439 2.023 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Cn2cncn2)cc1 13725281 MJDLJQGFUYXTDS-UHFFFAOYSA-N 369.812 2.235 0 40 FEAB CC(=O)N1CCn2nc(C(=O)N[C@@H](C)c3nc4c(s3)CCCC4)cc2C1 65457436 BODPBCLKTJCLNN-NSHDSACASA-N 373.482 2.072 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(Cl)s1 6354447 ATABOMMASAYCHQ-UHFFFAOYSA-N 363.778 2.424 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 6370917 OJAJYQRYFFCGFX-UHFFFAOYSA-N 353.378 2.087 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1C 14098628 FOHFHEHTTMCXBY-HZPDHXFCSA-N 354.516 2.470 0 40 FEAB C[C@H](NC(=O)CN1CCN(C(=O)C2CC2)CC1)c1ccc2c(c1)CCCC2 14134619 MRZFVMANHCZPLC-INIZCTEOSA-N 369.509 2.297 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C)s2)n(C)c1 14239351 MKUSLHLAGZOORC-UHFFFAOYSA-N 370.500 2.381 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCCCC(=O)c2[nH]c(=O)[nH]c2C)cc1 5414992 IZWCBULWYOUTDO-UHFFFAOYSA-N 373.409 2.245 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCCCCC2)c1 6753518 DTHLSCBUTCZHMH-UHFFFAOYSA-N 373.906 2.405 0 40 FEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccco2)c1 408570183 SODRCSBJQMURDB-SOFGYWHQSA-N 369.421 2.470 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 7091304 NQCJUSHLNZCPEZ-AWEZNQCLSA-N 368.389 2.373 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(O)c1 7396535 TWMWNQLJEOSFKK-SNVBAGLBSA-N 359.334 2.314 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)OCc1nc2ccccc2c(=O)[nH]1 8544108 HSJKAPZSZWMSAV-UHFFFAOYSA-N 365.389 2.095 0 40 FEAB O=C(COc1ccc(Nc2ccccc2)cc1)N[C@H]1CCS(=O)(=O)C1 17634932 KEURPRLNYYMPAX-INIZCTEOSA-N 360.435 2.112 0 40 FEAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc2c(ccc3ccccc32)s1 8709188 CUZRHEVOOSTVDK-UHFFFAOYSA-N 366.402 2.328 0 40 FEAB CN(CC(=O)N1CCc2sccc2C1)S(=O)(=O)c1cccs1 32883745 KKQVNTDDDZTWPO-UHFFFAOYSA-N 356.494 2.015 0 40 FEAB Cc1ccc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1 95999973 JJMQJIPHVWTKKV-GOSISDBHSA-N 373.478 2.114 0 40 FEAB Cc1cccc(C(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 89686362 NNMGBPOQQSJRKS-UHFFFAOYSA-N 350.426 2.012 0 40 FEAB CCN(CC)[C@H](CNC(=O)[C@H]1CCc2nnc(C)n2C1)c1ccsc1 89967772 LLSLCJLTBKDMOH-GOEBONIOSA-N 361.515 2.410 0 40 FEAB Cc1sc(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)cc1Br 408503399 VQFDILKIGHESFK-QMMMGPOBSA-N 368.274 2.058 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 306144262 ZAPXCTMXDMMYAI-INIZCTEOSA-N 373.440 2.483 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)NCc2nc3ccccc3[nH]2)c1C 524732969 HGGYETGAFLPSOY-UHFFFAOYSA-N 353.411 2.147 0 40 FEAB O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1nc2ccccc2s1 72321740 BNVWVPTZUKZRAB-ODVANORSSA-N 354.431 2.304 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 72339963 IJVJZZSTTOIFMJ-XEZPLFJOSA-N 371.485 2.326 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218035135 MKBAIRRQJRJAHB-JENIJYKNSA-N 359.447 2.135 0 40 FEAB Nc1n[nH]c2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)ccc12 72374508 PJSLZBKESRJLIC-HNNXBMFYSA-N 354.389 2.455 0 40 FEAB COc1cccc(C2(NC(=O)c3cc4n(n3)CCC4)CCOCC2)c1F 566719911 XLBXCQHTLWOSPO-UHFFFAOYSA-N 359.401 2.413 0 40 FEAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCC1 47080904 SKLYWTWPEAVFHY-SECBINFHSA-N 351.255 2.283 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1C 224341754 UCHPVEQHGRBCGI-UHFFFAOYSA-N 363.487 2.335 0 40 FEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCC(C)C)s1 223036241 UHJAGKYJPCPGCD-UHFFFAOYSA-N 354.457 2.033 0 40 FEAB CCCCS(=O)(=O)N1CCc2onc(COc3cccnc3)c2C1 96260103 FGZNQIKOHRABKZ-UHFFFAOYSA-N 351.428 2.137 0 40 FEAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 95101351 HVZJRELUYWVPSK-IDHHARJASA-N 360.410 2.131 0 40 FEAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccsc1)CC2 96050124 WSPMBIGKSIWRPL-UHFFFAOYSA-N 370.522 2.452 0 40 FEAB COCCN1CCc2cc(C(=O)NC(C)C)c(NCC(C)C)nc2CC1 96260532 SQSCLXPQHITTRZ-UHFFFAOYSA-N 362.518 2.335 0 40 FEAB Cc1cc(-c2nnc3sc(-c4cc(CC(C)C)n(C)n4)nn23)n(C)n1 95480135 IYLCINUBZAAHFT-UHFFFAOYSA-N 356.459 2.494 0 40 FEAB COCCn1cnc2ccc(NC(=O)c3ccc(OC)cc3)cc2c1=O 95480534 VHSUAHQWOLOAJK-UHFFFAOYSA-N 353.378 2.304 0 40 FEAB NC(=O)c1cnc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cn1 585083474 OQEONNLLPOUSLT-CYBMUJFWSA-N 368.315 2.052 0 40 FEAB COc1ccc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 96047570 GQGJJUPTGWJLGK-LPHOPBHVSA-N 358.417 2.470 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247864573 OAFYTHLJKPWCRO-MRXNPFEDSA-N 370.428 2.278 0 40 FEAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCCc1cccs1 247886077 XBOJLUHWESGVDX-QGZVFWFLSA-N 374.510 2.229 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)CC1 257307521 SZBLOSCEKWJJPF-ZOBUZTSGSA-N 358.486 2.034 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 257338245 YWPNEASCQQXSKH-AWEZNQCLSA-N 350.426 2.395 0 40 FEAB Cc1cc(C)n(CCNC(=O)[C@H]2CCCN2c2nc3ccccc3o2)n1 618254673 CQQLXBSRTRUTJJ-MRXNPFEDSA-N 353.426 2.426 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260894872 GBCWHFGOQVVNGV-LLVKDONJSA-N 362.879 2.275 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1C[C@@]1(C)Br 606444906 GHVCCNYKEUJCIF-HTTKSJEASA-N 356.264 2.178 0 40 FEAB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccc3cncn3c2)cn1 1615556358 UKCJREXGBWOCRX-ZWKOTPCHSA-N 368.441 2.441 0 40 FEAB Cc1c(S(=O)(=O)N2CCc3cc(Br)cc(F)c32)cnn1C 292744098 VUHNTYJAPAHRSW-UHFFFAOYSA-N 374.235 2.382 0 40 FEAB COc1cc(S(=O)(=O)Nc2c(F)cccc2F)cc(C(=O)O)c1OC 45946457 SXPQSYLBRNAONG-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nc(C)oc2c1 79044329 IWELZTGGKPDKMI-CQSZACIVSA-N 351.428 2.279 0 40 FEAB CN1Cc2ccccc2NC2(CCN(Cc3cn(C)cn3)CC2)CC1=O 1615530469 XNZCLTMLCDNPCC-UHFFFAOYSA-N 353.470 2.229 0 40 FEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(C)s2)n1 5975267 HYHJBEFBIVAOPD-UHFFFAOYSA-N 354.409 2.024 0 40 FEAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3ccncc3)n2)cc1 12182863 JBXIOWSHBMKLAM-AWEZNQCLSA-N 364.405 2.132 0 40 FEAB Cn1nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)c2nccnc21 12228574 NDRGTYWYNIVDPZ-UHFFFAOYSA-N 353.401 2.451 0 40 FEAB CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCC/C=C\1C(=O)OC 16974837 DVEZQQPWLQWKCS-GWCFYCIZSA-N 354.399 2.122 0 40 FEAB O=C([C@@H]1CN2CCC1CC2)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19344706 STMDJVPTHZIQMP-KGLIPLIRSA-N 374.466 2.040 0 40 FEAB Nc1ncc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)s1 19402990 ZCJMWUCTHOYMRA-UHFFFAOYSA-N 356.411 2.190 0 40 FEAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930036 XWACRGSILCEEAN-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCNCc2ccccc21 643587461 DSTWPCUUUKZAAM-UHFFFAOYSA-N 373.522 2.448 0 40 FEAB O=C(N1CCOCC1)N1CC[C@@H](COc2cccc(C(F)(F)F)n2)C1 1888853461 DWJXTUISGSLQBJ-GFCCVEGCSA-N 359.348 2.253 0 40 FEAB Cc1noc(CN2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)n1 1888883414 IYGVRUBYSDQLJG-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB COc1cc(CC(=O)NCCc2ccc3c(c2)OCO3)cc(OC)c1OC 21937277 DLKWYOUCXLLNIH-UHFFFAOYSA-N 373.405 2.343 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cn(C)cn2)C1 2037845554 BMANKPGLCIIWMG-GFCCVEGCSA-N 370.482 2.116 0 40 FEAB O=C(CCCc1cn[nH]c1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037908857 BBAHOJNZWMAKMI-LJQANCHMSA-N 361.417 2.304 0 40 FEAB O=C1CC(C(=O)N2CCC[C@@]3(CCCN(Cc4cccnc4)C3)C2)=CC=N1 2056223337 GOICVHCHFLFGGC-OAQYLSRUSA-N 366.465 2.214 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 1565542535 MPJSMOFHFDFCFT-WIYYLYMNSA-N 350.418 2.154 0 40 FEAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCCc1ccccc1 12440692 IUABSQYTCJPHSJ-UHFFFAOYSA-N 363.435 2.346 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 16847361 CEKSSQOTSGXXPS-IBGZPJMESA-N 368.433 2.415 0 40 FEAB COc1nc(N2CC(COc3cccnc3)C2)ncc1Br 2298050241 LVBGCIBGIOOMMZ-UHFFFAOYSA-N 351.204 2.158 0 40 FEAB COc1ccc2[nH]cc(C3=CCN(C(=O)CCn4cncn4)CC3)c2c1 75921955 UFDQFMDLGFOFPT-UHFFFAOYSA-N 351.410 2.474 0 40 FEAB CN(C)C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CCCC1 40287768 NUNYNJHGGIVHLR-UHFFFAOYSA-N 358.364 2.030 0 40 FEAB O=C(Cn1cncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20365683 PSDYUQDIBXOKSG-UHFFFAOYSA-N 361.449 2.212 0 40 FEAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccco1 32795923 NDVBOAPGWNQOBF-UHFFFAOYSA-N 350.378 2.202 0 40 FEAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2ccc(Cl)cc12 32776230 PWYHUDCORSQGSU-VIFPVBQESA-N 350.758 2.492 0 40 FEAB CCNC(=O)CN(CC)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 32719779 KMABFAKVWHNTND-UHFFFAOYSA-N 357.410 2.439 0 40 FEAB O=C(Nc1ccnc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 12321536 MTQGNVZYIMOHGB-UHFFFAOYSA-N 362.792 2.161 0 40 FEAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccco1 79501877 RESFJZMUCLKXEN-UHFFFAOYSA-N 360.410 2.304 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 104044923 OIROBBRJWJTYBR-SUHUHFCYSA-N 371.422 2.239 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940665 BZXMRFYVXRPNSZ-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccccc2)cc1 12599276 DLWVZTHHQFRNGZ-UHFFFAOYSA-N 374.462 2.015 0 40 FEAB COc1ccc(Nc2nc(Cl)nc(NCCN3CCOCC3)n2)cc1 19818661 OCYFBZNMNKPMKD-UHFFFAOYSA-N 364.837 2.021 0 40 FEAB Cc1nccn1C[C@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21 47938436 SFMAUESEMXDBJE-CQSZACIVSA-N 356.426 2.332 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24799663 YPTHTYQDWZLJOE-KGLIPLIRSA-N 367.405 2.173 0 40 FEAB CCC(C)(CC)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 84334337 VPAIKESZSCTLMG-KBPBESRZSA-N 365.478 2.219 0 40 FEAB Nc1nnc(SCC(=O)NCCSCc2ccccc2F)s1 12622305 IHJBXFLLSCGCHD-UHFFFAOYSA-N 358.489 2.401 0 40 FEAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1ccc(OC(F)F)cc1 56615890 WIHYIVURWGTENT-MRVPVSSYSA-N 360.338 2.019 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 22274709 JTKLUXOUPPRHFK-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2c(s1)CCCC2 94992950 HXZSFLOBJKCPND-CYBMUJFWSA-N 370.434 2.101 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1=O 57477483 DTGIFSMACQEALG-GJZGRUSLSA-N 357.454 2.078 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c(OCC(F)(F)F)c1 58162933 PRTFENFPRPCFIK-UHFFFAOYSA-N 373.331 2.205 0 40 FEAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3F)C2=O)c(C)o1 58185950 IGWFRDTUWOWJRW-LJQANCHMSA-N 373.384 2.119 0 40 FEAB C[C@H](C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)S(C)(=O)=O 58218059 RNQFPLDRHVNCAM-LLVKDONJSA-N 352.387 2.062 0 40 FEAB CNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10692968 RQHIEVQLHAZRQU-UHFFFAOYSA-N 365.282 2.281 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)CCn1nc(O)c2ccccc2c1=O 12885838 IMEGSOIQIOWIRN-CYBMUJFWSA-N 355.394 2.223 0 40 FEAB Cc1nc2oc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2 2357079 CYGFXDYWUCOOGI-UHFFFAOYSA-N 372.425 2.352 0 40 FEAB COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 2361361 UHKZCZPGHFFRMV-UHFFFAOYSA-N 368.397 2.429 0 40 FEAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NC[C@@H]1CCCO1 3482340 SGOYOEIIEHRIKW-ZDUSSCGKSA-N 354.406 2.176 0 40 FEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)no1 27933470 YVMZGUNHGKNXMR-UHFFFAOYSA-N 358.379 2.431 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)no1 3462561 WOYYGDNMJQLNDD-INIZCTEOSA-N 362.773 2.042 0 40 FEAB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 3505664 SBBOMCFVKGTSLD-HNNXBMFYSA-N 373.453 2.331 0 40 FEAB COC(=O)[C@H](NC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C)C(C)C 2601588 WDMFVKPDPNGPPO-SSHXOBKSSA-N 354.491 2.267 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc[nH]1 2619501 DOELPRNNXZUSQK-OAHLLOKOSA-N 360.435 2.292 0 40 FEAB CCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1C 8705518 MJXHMWUTPNJQRL-UHFFFAOYSA-N 373.434 2.360 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 63545741 DCQONNARPNQINN-CQSZACIVSA-N 366.462 2.240 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)CSCc2cccs2)cc1 8936410 JFBMYLPIUZGMFA-UHFFFAOYSA-N 370.521 2.086 0 40 FEAB CC(C)COC(=O)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392656 VHAANDJQCUPQOM-CYBMUJFWSA-N 353.440 2.263 0 40 FEAB CC(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 95453644 NFLURGJDCJACLN-MRXNPFEDSA-N 374.485 2.161 0 40 FEAB CCCN(CCC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 4699483 AKFWKNKTXQSIDD-UHFFFAOYSA-N 365.474 2.271 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cccc(O)c2)c1 5659772 GCGUTWXLBWKGRN-UHFFFAOYSA-N 351.453 2.451 0 40 FEAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 6879487 QIRCLUFQYGUENK-GXTWGEPZSA-N 352.456 2.464 0 40 FEAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)CC4(CCCC4)C3=O)n2)cc1 9216790 NIXJNFFUWYFBKP-UHFFFAOYSA-N 366.425 2.325 0 40 FEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccccn2)Oc2ccccc21 96111945 WQWYWKNRJMLMAP-WMZOPIPTSA-N 353.422 2.097 0 40 FEAB biogenic,in-vitro Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 306135043 OFVJCIBJKSYYDR-MSOLQXFVSA-N 367.497 2.337 0 40 FEAB O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)Cc1ccccc1 7783992 AMBWFLJOUARBRZ-UHFFFAOYSA-N 367.188 2.431 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9315651 AEKLDFFINUIAIR-HXUWFJFHSA-N 364.405 2.112 0 40 FEAB Cc1ccn2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc2c1 8281318 VDSVSZJPCCSTHE-UHFFFAOYSA-N 358.423 2.145 0 40 FEAB CC(=O)NCc1ccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 8217060 MXAQZRDJKSIDKZ-GFCCVEGCSA-N 365.389 2.477 0 40 FEAB Cc1ccc(C[C@H](C)NC(=O)NC2CCN(CC(=O)N(C)C)CC2)c(C)c1 69443078 ZIDMTILPSHBSGF-KRWDZBQOSA-N 374.529 2.086 0 40 FEAB NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(SC(F)F)c1 95460936 MMXNDWMJZHELTP-SNVBAGLBSA-N 365.427 2.286 0 40 FEAB CN(C)CCN(Cc1ccco1)C(=O)Cn1ccc(=O)c2ccccc21 88230138 RZEOXANOMTWACY-UHFFFAOYSA-N 353.422 2.185 0 40 FEAB CC[C@H](C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)N1CCCC1=O 72301569 KJPWJNNYCBUGCE-OAHLLOKOSA-N 354.410 2.085 0 40 FEAB CCN(C)c1ccc(C(=O)N2CCC(N(C)CC(=O)NC(C)C)CC2)cc1 89960879 OPMLZYKZLKJOKJ-UHFFFAOYSA-N 374.529 2.204 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)C[C@](C)(c3ccsc3)C2=O)cc1 89917849 JPSURYTZNUSMJW-LJQANCHMSA-N 372.446 2.090 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)c1 23752552 PWUVMEBTEJYMMC-UHFFFAOYSA-N 363.483 2.415 0 40 FEAB Cc1cocc1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)C[C@H]1O 1025117340 XOFNXCGIDCPWIY-FSPWUOQZSA-N 356.422 2.083 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218046575 JVEFSRVRWZLJPV-CMKODMSKSA-N 373.474 2.443 0 40 FEAB COc1cccc(CN2CCC(c3nnc4n3CCN(C(C)=O)C4)CC2)c1 72372085 WASLPTLYEHWNRV-UHFFFAOYSA-N 369.469 2.028 0 40 FEAB C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 72293611 ABZXEICJDNFFSL-NXEZZACHSA-N 353.362 2.117 0 40 FEAB Cc1ccccc1OCCC(=O)N1CCn2c(nnc2[C@H]2CCCCN2)C1 72374053 ZBKAKNOTWDLGDT-MRXNPFEDSA-N 369.469 2.212 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N(C)C 223244087 KRDMUVQSIXBVOB-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1coc(NC(=O)C2CC2)n1 75157953 LYVYWRMQBAZMJN-UHFFFAOYSA-N 356.382 2.112 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)C(C)C 225205872 NFHIWNGYPDDACA-ZDUSSCGKSA-N 354.472 2.254 0 40 FEAB O=S(=O)(NCCSc1ncn[nH]1)c1cc(Cl)ccc1Cl 222991011 SNNKLFXCTAOAEZ-UHFFFAOYSA-N 353.256 2.182 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccccc2F)ccc1OCC(=O)N(C)C 223243915 WGVXDVWMWOQRPV-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB Cc1ccc(CN(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 225236569 XUJUBLOZAVNEAP-UHFFFAOYSA-N 360.479 2.415 0 40 FEAB CC(C)(C)SCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225078991 JWLGAKLOIRQQBZ-UHFFFAOYSA-N 370.496 2.150 0 40 FEAB CCNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225837175 FGZDQPCFPPCKKQ-UHFFFAOYSA-N 371.178 2.410 0 40 FEAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cc1C 96074518 RWMWZYUBRKBXMG-RXVVDRJESA-N 371.481 2.319 0 40 FEAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 96080781 LWNVEVLPLKQOKF-OKILXGFUSA-N 362.417 2.419 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)CN1c1ncccn1 96051817 KUYGGPDDDRFDPC-QGZVFWFLSA-N 367.453 2.019 0 40 FEAB Cc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C 583622107 OHXUHGMDSALKPI-STQMWFEESA-N 352.435 2.399 0 40 FEAB CC(C)n1cc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)cn1 252483394 FASNHNJTECUBTB-UHFFFAOYSA-N 358.377 2.412 0 40 FEAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cccc(C)c2)C1 257283638 OZDDPMUVJFXFIF-OAQYLSRUSA-N 353.466 2.489 0 40 FEAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 257273771 NICSNJBVAJRUEE-HNNXBMFYSA-N 355.442 2.308 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1F 252502804 UTFQHZJELQTYNM-GOSISDBHSA-N 369.396 2.414 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2cncn21 253380504 AVOPEBLQDKDARY-INIZCTEOSA-N 357.410 2.278 0 40 FEAB Cc1ccn(CCC(=O)N2CCC(c3cc(C)n4nccc4n3)CC2)n1 257270653 MVCUBQMBXZEGBW-UHFFFAOYSA-N 352.442 2.339 0 40 FEAB CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccc(CC(=O)O)c2)C1 653640775 HIKNRPQGHKMSML-OAHLLOKOSA-N 360.454 2.328 0 40 FEAB COc1cc(N2CCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CC2)ncn1 680863096 WNVBOIXLGCTCGD-UHFFFAOYSA-N 366.465 2.482 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H](C)OC2CCCCCC2)o1 1775957368 QITARWGTGYMNFR-UMVBOHGHSA-N 351.447 2.394 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)c(C)c1 96096364 HLKWPNJNDWXRCU-KRWDZBQOSA-N 366.439 2.123 0 40 FEAB FC(F)(F)c1cc(N2CCN(c3ncnc4cnccc34)CC2)ncn1 1166762592 AXFPNFPJTNLKAD-UHFFFAOYSA-N 361.331 2.160 0 40 FEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(C)cc1 57386077 GCYAJCHUUJWDJM-MRXNPFEDSA-N 367.449 2.493 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](COc3ccnc(C)c3)C2)CC1 1776000672 FBBCKTZCSBONMR-QGZVFWFLSA-N 359.470 2.266 0 40 FEAB C[C@@H](NC(=O)c1ncc(C(N)=O)cc1Cl)c1nc(C(C)(C)C)no1 89913623 CRCRGNIOSFIDAU-SSDOTTSWSA-N 351.794 2.005 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCCC3)n2)cc1OC 5388684 GKKZKFQHDNZRHK-UHFFFAOYSA-N 371.437 2.330 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 12114572 PRDGNQMJFHRNEA-NFYOSOMSSA-N 360.502 2.026 0 40 FEAB COCCC(=O)NCCn1ncc(-c2cc(C)no2)c1-c1ccc(C)nc1 12223164 DANXQSULTBFLJP-UHFFFAOYSA-N 369.425 2.370 0 40 FEAB O=c1c2ccccc2ncn1CC1(O)CCN(CCc2ccccc2)CC1 13267105 QIJMLYBUGGDQPC-UHFFFAOYSA-N 363.461 2.466 0 40 FEAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC 15012684 ZKHWRPKYNWXDPY-POHAHGRESA-N 355.188 2.427 0 40 FEAB Cn1ccnc1SCCNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 19291531 IHNMMPJGJGOEJW-UHFFFAOYSA-N 359.430 2.482 0 40 FEAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)CCn2cccn2)o1 19562911 OROCFLOQBDFMGF-GFCCVEGCSA-N 358.427 2.452 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 4545321 RDCPUXAWLUTMGS-PGEKAQRJSA-N 351.380 2.389 0 40 FEAB Cn1cnc2cc(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 19666120 FNJDLOVMAFRBAM-CQSZACIVSA-N 352.369 2.248 0 40 FEAB Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nn1-c1ccc(F)cc1 679010873 HMGVVOJROMZBMC-UHFFFAOYSA-N 356.405 2.330 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CC1 8502109 VPINOVUMVSJBGC-XCLFUZPHSA-N 355.438 2.075 0 40 FEAB COCc1nsc(N2C[C@@H]3CCC[C@@]3(COc3nccc(C)n3)C2)n1 1888866967 KGDXTENCYWLIAN-GUYCJALGSA-N 361.471 2.468 0 40 FEAB Fc1cc(F)cc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 1889180524 XGOYPSHSHKYAHJ-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB C[C@H]1CN(c2ncnc3ncn(C)c23)CCN1Cc1ccc(F)cc1F 2086992602 ZCTCYRXSRFTOJJ-LBPRGKRZSA-N 358.396 2.352 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)NCCc3ccccc3)CC2=O)cc1 4373510 IHOSCIPEZGNMNC-INIZCTEOSA-N 353.422 2.342 0 40 FEAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2cccnc2)CC1 2055754768 PCUXTNQIWVLLFE-UHFFFAOYSA-N 352.438 2.257 0 40 FEAB Cc1cc(C)cc(NC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)c1 20488820 RVVMDWREYYNRIQ-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](Oc2cccnn2)C1 225458158 SHYURTRTWVZYAA-OAHLLOKOSA-N 370.434 2.257 0 40 FEAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1ccccc1 45970485 KYSCQSSGXUWASP-UHFFFAOYSA-N 355.423 2.092 0 40 FEAB O=C1[C@@H]2N=NN(Cc3nc(-c4ccccc4)no3)[C@H]2C(=O)N1c1ccccc1 101277456 GVWWWFAPIJDUQY-HZPDHXFCSA-N 374.360 2.230 0 40 FEAB Cc1cc(=O)n2nc(NC(=O)C(c3ccccc3)c3ccccc3)nc2[nH]1 100650680 RUTFUKIWMWBDBD-UHFFFAOYSA-N 359.389 2.497 0 40 FEAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101209227 BUTMOYRGIUMCNU-YIYTVJKZSA-N 368.408 2.079 0 40 FEAB Cc1cc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)on1 32171807 QKYCKLOIQOBSML-SFHVURJKSA-N 357.366 2.112 0 40 FEAB CCCCN(Cn1c(=O)oc2ccc(Cl)cc21)[C@H]1CCS(=O)(=O)C1 32776702 OYRMIFOSTQCXNQ-ZDUSSCGKSA-N 372.874 2.495 0 40 FEAB COc1cc(CNC(=O)CCCNC(N)=O)ccc1OCc1ccccc1 32736776 QPQIOMZHYKHZKA-UHFFFAOYSA-N 371.437 2.339 0 40 FEAB CC(=O)c1ccc(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)s1 32810586 MWHONCCKZLGEBV-AWEZNQCLSA-N 358.419 2.447 0 40 FEAB O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cn1ccnc1 32938791 AZAWNCPHHXSMGZ-UHFFFAOYSA-N 354.454 2.244 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1936091 NPXXRJXEJSEAGT-UHFFFAOYSA-N 366.373 2.163 0 40 FEAB CCCS(=O)(=O)c1ccccc1C(=O)NCCc1cccc(OC)n1 79056974 JEJZSTQKEMQKHI-UHFFFAOYSA-N 362.451 2.246 0 40 FEAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C(N)=O)cc3)c(C)n2n1 22705920 ASWOPKOJWBEYSP-UHFFFAOYSA-N 351.410 2.325 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2 23064775 SXFYYLPNSPUWRS-UHFFFAOYSA-N 365.317 2.418 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2nnc3ccccn23)CC1 12322184 UXQITQZWHPISTK-UHFFFAOYSA-N 350.378 2.478 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 23873945 AOGXUDDRHAKZLA-HNNXBMFYSA-N 364.396 2.255 0 40 FEAB CCc1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 12413370 GBOWVEFGTKESGA-UHFFFAOYSA-N 360.435 2.241 0 40 FEAB CC(=O)c1sc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)nc1C 8156216 AXWPOCOVTUKPST-UHFFFAOYSA-N 352.437 2.451 0 40 FEAB Cn1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc2c1=O 61720554 PHHNURVNWCDIBB-UHFFFAOYSA-N 359.389 2.431 0 40 FEAB FC(F)(F)c1ccc(-n2nnnc2CN2CCC3(CC2)OCCO3)cc1 54174122 UTJJLSOUCWFMBD-UHFFFAOYSA-N 369.347 2.020 0 40 FEAB O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 59250875 HIHWBMLGVRYDKN-SSDOTTSWSA-N 366.137 2.193 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1OC 26527736 XNEVSYJRRPSGDA-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)OCCS3)C(=O)C2 101324007 KQAICMLBJSJTMI-CJNGLKHVSA-N 373.540 2.267 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48103186 QTKDQNLTMKKURL-SNVBAGLBSA-N 365.739 2.075 0 40 FEAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(Cl)c1 58227989 JALWKKNUJYCCPN-UHFFFAOYSA-N 372.856 2.204 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(N2CCCC2=O)cc1 12755832 NSGCFABOZPAWFH-UHFFFAOYSA-N 355.369 2.321 0 40 FEAB COC(=O)c1cc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc(C)c1C 58419154 WQOFHGYDUCJWIA-UHFFFAOYSA-N 355.350 2.480 0 40 FEAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@@H]4C 2211860 OLJFHVXWQAEZJP-UWVGGRQHSA-N 359.455 2.280 0 40 FEAB NS(=O)(=O)c1ccsc1C(=O)OCCOc1ccccc1Cl 10932770 CGAOILFQSRMSHP-UHFFFAOYSA-N 361.828 2.285 0 40 FEAB O=C(CNC(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3 11751994 YFEJQSRCETUVMC-UHFFFAOYSA-N 369.402 2.436 0 40 FEAB O=C(CN1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1)Nc1cccc(F)c1 12809683 CGRMSRWSUMNHGD-CYBMUJFWSA-N 374.243 2.102 0 40 FEAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCCCCC1 9051021 FJPMWBJKRSOWQP-KRWDZBQOSA-N 357.454 2.332 0 40 FEAB C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-n2ccnc2)cc1 5270035 HYQPRSANJQNIJJ-CQSZACIVSA-N 359.393 2.339 0 40 FEAB O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)nc1 6328744 DUZLJFVWEJROEM-UHFFFAOYSA-N 352.725 2.454 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(C)cc1C 65562649 KFJNADPQEZMGBK-UONOGXRCSA-N 356.513 2.282 0 40 FEAB CCSc1nnc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)s1 14124906 OXUJJRKICFLWTI-LBPRGKRZSA-N 364.452 2.403 0 40 FEAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 4555443 YVFLUNSIPOUOJU-QGZVFWFLSA-N 367.401 2.470 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)cc1 408559802 YZJOTDFHWYOMQW-OAHLLOKOSA-N 368.499 2.354 0 40 FEAB Cc1ccc(OCCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 14201184 BHOQCZIPSNSUCM-HNNXBMFYSA-N 366.417 2.483 0 40 FEAB COCCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 14251960 UWFBFBSGPCXMDQ-UHFFFAOYSA-N 369.343 2.453 0 40 FEAB CCCC1(CCC)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 6552345 YJACTGJHJHXCCT-UHFFFAOYSA-N 363.433 2.375 0 40 FEAB Cc1c(NC(=O)COc2ccccc2C=O)c(=O)n(-c2ccccc2)n1C 5653261 ILOOZSGKTZIHNU-UHFFFAOYSA-N 365.389 2.314 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 6891379 RXLOTKWJVQIIIB-INIZCTEOSA-N 353.440 2.386 0 40 FEAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2 15267519 QPUBZKXDWSMVOG-PKNBQFBNSA-N 374.418 2.334 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccnc3)c2)cc1C 67890760 SRZKWHMZFGAFDW-UHFFFAOYSA-N 358.423 2.444 0 40 FEAB CCOC(=O)c1c(NC(=O)C2=NNC(=O)CC2)sc2c1CC[C@@H](C)C2 7698995 BVODWMRKIRGAOJ-SECBINFHSA-N 363.439 2.254 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1C 7940086 OGJVFDYQVMBYHE-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccccc1Cl 8185789 VKBDEZUEHKLCOE-CYBMUJFWSA-N 374.824 2.368 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1/C(=O)Nc2ccccc21 96843557 XEPRRJJJELQSQK-WFSQQTBHSA-N 357.435 2.352 0 40 FEAB COc1cc(NC(=O)c2nccnc2C(=O)O)ccc1-c1ccc(CO)o1 70666354 FSLMTNMHHQYWLW-UHFFFAOYSA-N 369.333 2.188 0 40 FEAB biogenic CC[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1noc(C)n1 72310250 RAUFCPUAQZCNJO-OAHLLOKOSA-N 361.427 2.052 0 40 FEAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2c(c1)OCC(=O)N2 1547200817 IPTRVHJQONRXEJ-UHFFFAOYSA-N 364.361 2.002 0 40 FEAB CC(C)N1C(=O)C(=O)N(CN(C)Cc2ccc(Br)s2)C1=O 23853240 XVTSRILJDVVSMP-UHFFFAOYSA-N 374.260 2.099 0 40 FEAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc1 73391348 MFAQRALUOKQDAT-OUWQEXSBSA-N 357.406 2.492 0 40 FEAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 72320779 MFXBXOWWNVXXOR-BZNIZROVSA-N 368.430 2.242 0 40 FEAB biogenic,in-vitro O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1COc2ccccc2O1 38622222 IYNAPPLXHWCXII-WMLDXEAASA-N 374.462 2.078 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ccccc1F 72346706 RJCBRRYZKIBQPK-KGLIPLIRSA-N 357.385 2.066 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 72339167 NDWGAJHSHGEKTJ-QXQQKJPISA-N 356.422 2.229 0 40 FEAB NC(=O)CCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72363233 ZIFSRZAZRNLBFE-AWEZNQCLSA-N 354.410 2.240 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)nc1 562710122 CHAKLZMURDRIIT-HNNXBMFYSA-N 363.421 2.228 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3cccs3)nc2s1 41078220 UQLHBZFENLBJTP-UHFFFAOYSA-N 351.409 2.106 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)s1 225545064 CCBVNBNIIVPBBU-SECBINFHSA-N 372.447 2.311 0 40 FEAB Cc1sc2[nH]c([C@H](C)N3CCN(c4cnccn4)CC3)nc(=O)c2c1C 40049865 ISMHFFDOGLWAHX-LBPRGKRZSA-N 370.482 2.275 0 40 FEAB COCCc1nsc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 176747154 IXWASVJWBVNVCI-UHFFFAOYSA-N 373.404 2.467 0 40 FEAB COc1ccc(C(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1 40386110 SJMCEVLWXMNXNE-QGZVFWFLSA-N 350.374 2.487 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223050022 MTJJIAIOPPIIOE-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC(c2ccccc2F)=NO1 226747062 CEVDYHMZGBYXQV-RBZFPXEDSA-N 373.428 2.226 0 40 FEAB COC(=O)c1cn(C(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc12 222593396 PNYIBPAJBXEKRO-UHFFFAOYSA-N 372.402 2.488 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 96237722 YIVDXZHSIPTCBW-HXUWFJFHSA-N 353.422 2.151 0 40 FEAB Cc1ccc([C@@H]2[C@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1 96181569 CKBHCDKLCKJEBP-WOJBJXKFSA-N 352.434 2.252 0 40 FEAB CN(Cc1ccco1)[C@H]1COC2(CCN(C(=O)C3CCOCC3)CC2)C1 96048040 PWFQLRISSQLRMS-QGZVFWFLSA-N 362.470 2.288 0 40 FEAB COC(=O)C[C@H](c1cccc(O)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96114148 NJBMBVVBJRTOSZ-CYBMUJFWSA-N 374.780 2.454 0 40 FEAB biogenic Cc1ccc2c(c1)C1(CCN([C@H]3CCOC3)CC1)CN2C(=O)CN(C)C 96160996 JMYCTKOCGCXLSA-KRWDZBQOSA-N 357.498 2.026 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)NCc1ccccc1)C2 96227032 FFJGSHYIYKVMSM-NQIIRXRSSA-N 364.449 2.320 0 40 FEAB Cn1cc(CN2CC3(C[C@H](CCOCc4ccncc4)CCO3)C2)cn1 248153399 UYJZDZPBYWIJPN-QGZVFWFLSA-N 356.470 2.403 0 40 FEAB COc1ccccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccno1 248136465 NHLFDWUFTWCIAK-INIZCTEOSA-N 371.437 2.094 0 40 FEAB O=C(c1cc(F)cc(F)c1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247802082 GLOHGDAKEXCQNE-ZDUSSCGKSA-N 374.391 2.488 0 40 FEAB O=C(O)[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242437525 CEIGEEVEAUKEIG-ZMSDIMECSA-N 366.822 2.343 0 40 FEAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248147563 SDYGNTOHQFXOCM-MRXNPFEDSA-N 370.453 2.214 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccs2)C1 248161981 MBYJTEJDEUMJOF-GOEBONIOSA-N 356.513 2.062 0 40 FEAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252515621 MFRGDFDKSSEPGS-INMHGKMJSA-N 355.525 2.459 0 40 FEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 253596297 POMGNNQCGADPQH-RGGPIECMSA-N 354.454 2.382 0 40 FEAB O=C(CC1CCOCC1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257208853 BNVBFWJOLZDJCZ-WMZOPIPTSA-N 351.418 2.373 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 25303991 DXZQYZYTSSKXJY-UHFFFAOYSA-N 364.331 2.292 0 40 FEAB CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1c2ccccc2CCC[C@H]1C 1138084743 JDEPSBRETPGAEK-WIBUTAKZSA-N 373.497 2.223 0 40 FEAB Cc1cccc(-n2cnc3cc(C(=O)NC[C@@H]4CN(C)CCO4)ccc32)c1 667605184 AKELHQKTGUUPOF-GOSISDBHSA-N 364.449 2.394 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1280311053 QQKSQGCZUHQUQG-KRWDZBQOSA-N 370.430 2.211 0 40 FEAB CC1=C(C(=O)N2CC3(CN(C)C[C@@H]3c3n[nH]c(C)n3)C2)CCC(C)(C)C1 1775958333 RFCYJULXQSHGPI-MRXNPFEDSA-N 357.502 2.497 0 40 FEAB O=C(Nc1ccc2c(n1)OCCO2)[C@@H]1CCCn2cc(C(F)(F)F)nc21 585123954 SPYNQBUCNCLXEH-SECBINFHSA-N 368.315 2.584 0 40 FEAB Cc1snnc1C(=O)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 585109495 UKNBPHMXYCUVRX-BQFCYCMXSA-N 370.478 2.089 0 40 FEAB Cc1ccnc([C@H](C)NS(=O)(=O)c2ccnn2CCc2ccccc2)n1 585114176 GCSFOEHMZTZNGK-HNNXBMFYSA-N 371.466 2.264 0 40 FEAB Cc1nn2cc(S(=O)(=O)N(C)c3ccc(F)cn3)cnc2c1Cl 1190322334 KLHKOQKZWLQEDA-UHFFFAOYSA-N 355.782 2.050 0 40 FEAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccnc4c3nnn4C)C2)c1 582948756 RGKOHGWVBOXPAD-HDJSIYSDSA-N 351.410 2.390 0 40 FEAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2)cc1 5809237 SRHWUWJVELODBW-LLVKDONJSA-N 370.361 2.019 0 40 FEAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CCC(N)=O)C2)on1 12121233 ZAHFGAYMWFEFPY-CQSZACIVSA-N 368.441 2.056 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)c1 12184313 GQIFZOJMKIFTPB-IYBDPMFKSA-N 368.481 2.250 0 40 FEAB COc1cc2c(cc1CN1CCC(O)(c3cccnc3F)CC1)OCO2 12328001 GMGOFCQFHMLTDL-UHFFFAOYSA-N 360.385 2.442 0 40 FEAB CCOCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13731380 MDXVBMWWTSDRIL-UHFFFAOYSA-N 373.453 2.045 0 40 FEAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 7255455 XSYYLUTYSFCJFO-LFYBBSHMSA-N 368.389 2.379 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@H]2[C@@H]1CC=CCC1 14607545 IGHIBLQKNVOBSY-RHSMWYFYSA-N 350.426 2.373 0 40 FEAB C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Br)cc1 35302532 MLJYLSPMOPFFAF-ZWNOBZJWSA-N 355.232 2.175 0 40 FEAB COc1cc(C(=O)NCCc2nnc3ccccn23)ccc1OC(C)C 11546153 GBPHJJKSJNYNSU-UHFFFAOYSA-N 354.410 2.498 0 40 FEAB O=C(c1cnccn1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888843089 SUEHBEIDBLKZLA-RYUDHWBXSA-N 363.343 2.099 0 40 FEAB CN(C)c1cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)ncn1 1888850333 CZOUMFYVIDGSAI-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3OCCN(Cc4cccc(C)n4)[C@H]3C2)c1 2056224824 XQDNLKCSOYOCNT-IRXDYDNUSA-N 357.479 2.485 0 40 FEAB O=C([C@H]1CN(c2nc3cnccc3s2)CCO1)N1CCC(F)(F)CC1 2087131805 YICDHTBEDFWYFV-GFCCVEGCSA-N 368.409 2.154 0 40 FEAB COCCN1CCO[C@@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@H]21 2055745516 GJZVJKWHWQOPSO-ADDHZHGLSA-N 350.484 2.100 0 40 FEAB CN([C@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1)S(=O)(=O)C1CC1 2086887024 RFKZIVDDFIIKBN-LBPRGKRZSA-N 363.405 2.493 0 40 FEAB Cn1c(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc2cccnc21 2298194792 CSPIUJYZMSPFQI-ZDUSSCGKSA-N 363.412 2.442 0 40 FEAB C[C@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)S(C)(=O)=O 40134194 CMUXITLUKCWKQG-LLVKDONJSA-N 352.387 2.062 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)Cn2c(C)nc3ccccc3c2=O)c1 31560794 PCBRQUJXICPNBO-MRXNPFEDSA-N 352.390 2.347 0 40 FEAB Cc1sc2nc(SCCn3nc4ccccn4c3=O)nc(N)c2c1C 31851893 ISPHRQAJWXWJFM-UHFFFAOYSA-N 372.479 2.492 0 40 FEAB O=C1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)nc2)c2ccc(F)cc2N1 33043914 FMJWFCBYPBOLQU-OAHLLOKOSA-N 365.368 2.149 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 2656343 NKFMRSYIBRZZFH-FQEVSTJZSA-N 367.405 2.409 0 40 FEAB CCOC(=O)c1c(N)n(CCCOC(C)=O)c2nc3ccccc3nc12 3199385 YGXVZVDCFGGQAU-UHFFFAOYSA-N 356.382 2.297 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccccc1F 3570806 IFDJFPDHJXLOKI-GOSISDBHSA-N 371.387 2.419 0 40 FEAB O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F 4400249 LJRBIPYUCLSKJK-UHFFFAOYSA-N 369.440 2.336 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)cc1 5484067 XHNFTJMOUHZMKW-AWEZNQCLSA-N 353.382 2.182 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)C1=NN(c2ccccc2)C(=O)CC1 5631199 QIFCKNRDVVYISW-HNNXBMFYSA-N 365.389 2.126 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCC)c2O)C1=O 6223593 GWWKEFLEGMZGCF-XYOKQWHBSA-N 351.380 2.390 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 6758558 CNUGHMXBRPWZGZ-CYBMUJFWSA-N 370.327 2.134 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)cc1 6857047 NJDPKMRDWVEPGR-QGZVFWFLSA-N 355.394 2.217 0 40 FEAB CC[C@@H](C)Nc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 7425522 RKCISNDTKMTVER-CYBMUJFWSA-N 355.442 2.001 0 40 FEAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7780797 OGKFZIGIEJBLAM-UHFFFAOYSA-N 368.389 2.383 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCCCCC2)cc1 8073193 LYKGYTNMOUHEPA-UHFFFAOYSA-N 367.467 2.105 0 40 FEAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N4CCNC4=O)cc3c2C1 8749560 IKFBMOAEBVAVQG-LLVKDONJSA-N 355.394 2.001 0 40 FEAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc(OC)c1OC 9012937 OTHLDBRZPXOSIW-INIZCTEOSA-N 353.382 2.158 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)nn(C)c2C)c1C 9513392 HZXHXWSTFFDRKO-LBPRGKRZSA-N 361.398 2.197 0 40 FEAB CCn1nc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c2ccccc2c1=O 9515699 IHYLPRBEWMDRNG-SFHVURJKSA-N 364.449 2.449 0 40 FEAB CCc1nc2ccc(NC(=O)Cc3c(C)nc(OC)nc3OC)cc2[nH]1 12147410 UVLVAODIFGPEFG-UHFFFAOYSA-N 355.398 2.422 0 40 FEAB CC(C)c1nc2ccccc2c2nn(CC(=O)NC3CCCC3)c(=O)n12 12181901 PEFFWSCRSVWBAE-UHFFFAOYSA-N 353.426 2.226 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H](c3cc(O)nc(C)n3)C2)cc1OC 12337884 AMQQCFUOXJTIOB-CQSZACIVSA-N 357.410 2.066 0 40 FEAB CCCCCNC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 12745899 QRLLBLWHCGXYSF-UHFFFAOYSA-N 363.414 2.067 0 40 FEAB Cc1cnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 12950362 DHJAUBXZQOMGIQ-ZDUSSCGKSA-N 351.453 2.243 0 40 FEAB NS(=O)(=O)c1ccc(CNc2ncnc3sc4c(c23)CCC4)cc1 13070498 RURMICGBNJCHSX-UHFFFAOYSA-N 360.464 2.440 0 40 FEAB COC(=O)N(C)C[C@]12C=C[C@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 13410199 IBKPNFIXWNBGMR-RCOVLWMOSA-N 363.024 2.309 0 40 FEAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(-n2cnnn2)cc1 14137869 ACSRHBQBJMFFPW-UHFFFAOYSA-N 363.406 2.362 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OCCN2CC)cc1 14607353 UJNPGTRJWUKMHQ-MRXNPFEDSA-N 362.426 2.219 0 40 FEAB COc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15717987 XKAMNLNDRSYLRJ-UHFFFAOYSA-N 374.462 2.077 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ncccc3C)c2C)n1 16849612 AYBHDSFLLVGURF-UHFFFAOYSA-N 366.425 2.156 0 40 FEAB S=C(NCCCN1CCOCC1)Nc1cccc(Br)c1 16941781 FCJIMNFQCDOHKH-UHFFFAOYSA-N 358.305 2.458 0 40 FEAB O=C([C@@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1)N1CCOCC1 16964647 JNEUTQRIQKWLAJ-SFHVURJKSA-N 370.380 2.092 0 40 FEAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 17888390 ZOFLTUFFHFAUGT-HGSJOUDDSA-N 373.430 2.246 0 40 FEAB COc1ccccc1-c1cc(C(=O)NCCSc2nccn2C)[nH]n1 19291532 GTIPWHCFCJKGRM-UHFFFAOYSA-N 357.439 2.341 0 40 FEAB O=C1CCCN1CCCc1cc(=O)[nH]c(N[C@@H]2CCc3ccccc32)n1 19375179 NWYCTULSMHAAQX-QGZVFWFLSA-N 352.438 2.424 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1 19556647 ORIIGOVBLSXYOU-UHFFFAOYSA-N 356.407 2.201 0 40 FEAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1OC 19561143 IQDMODBFPKBPHV-KRWDZBQOSA-N 354.454 2.477 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)c4csc(C)c4)C3)ncc2C1 19571663 PAGKTURNLXEACW-CQSZACIVSA-N 370.478 2.381 0 40 FEAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc12 19625278 OSDMPJGZLPQQBK-UHFFFAOYSA-N 358.375 2.366 0 40 FEAB biogenic,in-vitro CCN1C[C@H](CN(C)S(=O)(=O)N2CCCCCC2)Oc2ccccc21 22514646 BSHYWAAJYTXLOY-INIZCTEOSA-N 367.515 2.327 0 40 FEAB CCOC(=O)c1ccc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nc1 24054952 FUWPGNWDENBILG-AWEZNQCLSA-N 358.394 2.329 0 40 FEAB CNC(=O)CN(C)C(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 24275322 BBUMYTBDNMSYDZ-ZHACJKMWSA-N 354.454 2.074 0 40 FEAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccccc2)C1=O 24877308 DHQYHCTXTZGEOD-FQEVSTJZSA-N 366.373 2.151 0 40 FEAB CNC(=O)c1ccc(CNC(=O)NCc2ccnc(N3CCCC3)c2)cc1 26302456 NNPWMHPOBMLPBV-UHFFFAOYSA-N 367.453 2.041 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OC(F)F)cc1 26750664 NOOIVCMIEIHKRR-UHFFFAOYSA-N 360.320 2.422 0 40 FEAB COc1cc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C 29475472 HRIZZTBKEMRGJC-CYBMUJFWSA-N 362.451 2.484 0 40 FEAB CC(=O)c1ccccc1OCCSc1nnc(N2CCOCC2)n1C 30974449 NAUVTAZQORYZNL-UHFFFAOYSA-N 362.455 2.025 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 32796894 VPGUUVPHVABZER-UHFFFAOYSA-N 365.282 2.030 0 40 FEAB CCn1cc([C@@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21 36741334 KKAODIQHVQABKE-IBGZPJMESA-N 351.454 2.307 0 40 FEAB O=C(NCc1cccs1)Nc1ccc(CC(=O)N2CCOCC2)cc1 38709658 JQKUWZOLAYEZIA-UHFFFAOYSA-N 359.451 2.471 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)NCCc1ccc(F)cc1)C(F)(F)F 40040278 AEQDXCKNSAEUOE-OAHLLOKOSA-N 359.323 2.058 0 40 FEAB O=C(Nc1cnc(-c2ccccc2)nc1)C1=NN(c2ccccc2)C(=O)CN1 40091064 USGKDMFAVMMVFH-UHFFFAOYSA-N 372.388 2.032 0 40 FEAB NC(=O)C1(NC(=O)c2ccc(I)cc2)CCCCC1 40117559 LIKJADPNMWUDFU-UHFFFAOYSA-N 372.206 2.209 0 40 FEAB COc1cc(CNC(=O)[C@@H](C)Sc2ncccn2)cc(OC)c1OC 40157351 KLKDYLATQAPUAB-LLVKDONJSA-N 363.439 2.299 0 40 FEAB CCc1cc(Br)c2c(c1)N[C@]1(C=C(C)OC(N)=C1C(N)=O)O2 40546234 GYCXGCAGSSMLEI-OAHLLOKOSA-N 366.215 2.102 0 40 FEAB O=C(CCc1cccc(Br)c1)N[C@]1(C(=O)O)CCSC1 43510363 LQVQSNMOHLUTDW-CQSZACIVSA-N 358.257 2.458 0 40 FEAB O=C(NC1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)C1CC1 45933586 XOLYCVDFISOGJY-UHFFFAOYSA-N 372.856 2.381 0 40 FEAB CN(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1ccccc1 46455651 BEFWKVJIBUNOEU-UHFFFAOYSA-N 368.499 2.163 0 40 FEAB O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(N2CCNC(=O)C2)cc1 46695512 BTVJDCMBKIIUFB-MDZDMXLPSA-N 362.389 2.416 0 40 FEAB O=C(/C=C/c1ccccn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 47537094 ZEURMADKMVNEDF-FNORWQNLSA-N 365.433 2.210 0 40 FEAB Cc1ccccc1OC[C@H](C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 55693436 RFJOODUTGQPHGD-YESZJQIVSA-N 370.449 2.220 0 40 FEAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)n1 57316467 VFAJTKWXXMTOFH-UHFFFAOYSA-N 352.423 2.487 0 40 FEAB Cc1ccnc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)c1 70638126 ADSHZGYVLOVURZ-HNNXBMFYSA-N 363.425 2.221 0 40 FEAB O=S(=O)(NCC[C@H](O)c1ccco1)c1ccccc1Br 77111887 HHPMOQOVKRIGKL-NSHDSACASA-N 360.229 2.444 0 40 FEAB O=C(CCC(F)(F)F)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 79738875 QPCXIQQUJVVYQL-UHFFFAOYSA-N 354.332 2.190 0 40 FEAB O=C(Nc1ccc(F)cc1Br)N[C@@H]1CCN(C2CC2)C1=O 89768442 ZWGDVEXGTRUXGE-GFCCVEGCSA-N 356.195 2.473 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)no1 95469895 FVAQGAJNKJOBAK-UHFFFAOYSA-N 370.240 2.446 0 40 FEAB Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1 96065371 RYAOELHECHDSJZ-OAGGEKHMSA-N 357.389 2.084 0 40 FEAB COCCN1Cc2ccccc2C2(CCN(C(=O)c3ccnnc3)CC2)C1 96079532 WCHBQJRCVROUKM-UHFFFAOYSA-N 366.465 2.113 0 40 FEAB Cc1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)c1C 96097325 YUMXUTDIMFOOOZ-INIZCTEOSA-N 370.405 2.211 0 40 FEAB Cc1nnc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccccc4)C3)C2)o1 96240594 LFMSMGHBGWJXEK-IEBWSBKVSA-N 358.442 2.098 0 40 FEAB O=C(Nc1ccccc1)N1CCn2nnc(COc3ccccn3)c2C1 96255992 ZIIFGTMHFBHPQD-UHFFFAOYSA-N 350.382 2.300 0 40 FEAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21 101661831 PYICURSEYXNRAE-KRWDZBQOSA-N 369.396 2.054 0 40 FEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102144268 FBCMKFWBKKWECU-WSMBLCCSSA-N 350.484 2.491 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2-n2cncn2)[C@H]2C=C[C@H]1C2 102633607 XKHWJGLNAIBAQI-CHPZLBCBSA-N 358.785 2.382 0 40 FEAB COc1ccc(-n2ccc(C(=O)NCc3ccc(-n4ccnc4)nc3)n2)cc1 108847279 AGQNSJLYLULNGQ-UHFFFAOYSA-N 374.404 2.392 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 209939841 GZVHHTJNFKBYDQ-MSOLQXFVSA-N 365.462 2.232 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245318956 YANRWBSULLZYRN-WOCWXWTJSA-N 368.518 2.353 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 257199791 AAVIZHPSLKFIEF-KRWDZBQOSA-N 355.486 2.416 0 40 FEAB CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257264293 LTTLWLANYZXHSV-AYBZRNKSSA-N 355.390 2.458 0 40 FEAB O=C([C@@H]1CCCOC1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257292035 QJRHJPALOKXZIY-OAHLLOKOSA-N 368.441 2.143 0 40 FEAB CC(C)CN1C[C@@H](c2cn(C)cn2)[C@]2(CCN(Cc3cccnc3)C2=O)C1 306134734 NWNHERGUEBCHFA-RXVVDRJESA-N 367.497 2.289 0 40 FEAB CC(C)CCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408592726 OFLJWOPTQCCHCR-CQSZACIVSA-N 356.488 2.303 0 40 FEAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709608 UYOYSKNLLRLLOR-UHFFFAOYSA-N 371.824 2.487 0 40 FEAB O=C(N[C@H](c1ccccc1)C(F)F)N1CCC(n2cnnc2O)CC1 581472112 FUKDBPZRMALFCT-CYBMUJFWSA-N 351.357 2.337 0 40 FEAB COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CN3CCC(C)C)C2)c1 585107987 QHMAYYIEARWFPT-QAPCUYQASA-N 352.500 2.436 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108836 RXMDQJNFFLLLBH-BJLQDIEVSA-N 355.438 2.318 0 40 FEAB CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1nnsc1C)C2 585110864 RFFGASFMBVELMM-AWEZNQCLSA-N 361.471 2.229 0 40 FEAB COc1cccc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 585112412 PHOQPLLUKZDFSY-GOSISDBHSA-N 354.454 2.461 0 40 FEAB CO[C@H](C(=O)N1CCCN(c2ccccc2Cl)CC1)c1cnn(C)c1 644892648 BBWYXPADDSEKMK-KRWDZBQOSA-N 362.861 2.500 0 40 FEAB CN1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]3c3ccc(F)cc3)C2)CC1 660712425 JXLKXVQRYSGBRB-PKOBYXMFSA-N 360.477 2.451 0 40 FEAB O=C(NCCn1cccnc1=O)c1ccc2noc(-c3ccccc3)c2c1 675008157 FIGUOSZMKAVMSH-UHFFFAOYSA-N 360.373 2.482 0 40 FEAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1CNC[C@H]1O 1122079500 NYSKOOUBZDJCEW-RBUKOAKNSA-N 367.424 2.356 0 40 FEAB Cc1nc(C)c(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)s1 1615126601 LNEMTBBVIMSUGJ-IBGZPJMESA-N 371.462 2.408 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615158282 LVOMLTVQPXCUAH-FQEVSTJZSA-N 351.406 2.120 0 40 FEAB O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)N[C@H]1CCNC1=O 1679317457 LJCWONLXIZJSLU-ZDUSSCGKSA-N 353.357 2.150 0 40 FEAB Cc1cc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n2nccc2n1 1888869549 SZWCARNQNXNZKQ-UHFFFAOYSA-N 351.458 2.452 0 40 FEAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccnn2C)CC1 2055759286 GXHWRRNJHAAWHX-UHFFFAOYSA-N 369.469 2.032 0 40 FEAB O=C1[C@@H](N2CCc3nc4ncccc4cc3C2)CCN1CC(F)(F)F 2086934466 AUSJNDZUVYPFRC-AWEZNQCLSA-N 350.344 2.151 0 40 FEAB CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 902725 YNSVHCBASIYLFG-SNVBAGLBSA-N 361.833 2.335 0 40 FEAB CN(C)CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1233979 UPMWWHREYIBNTL-LCYFTJDESA-N 368.842 2.481 0 40 FEAB NC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 1251067 QNLXXUDFONLSHX-UHFFFAOYSA-N 356.817 2.171 0 40 FEAB COc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)c1 2263734 MKAJGZFVKMRNFT-UHFFFAOYSA-N 356.411 2.012 0 40 FEAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)OCO3)CC2 3378989 WPOXCOWNWBQQCW-UHFFFAOYSA-N 370.405 2.429 0 40 FEAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nnnn1C 3530188 ZEOSTRDGHJGMHQ-UHFFFAOYSA-N 369.472 2.303 0 40 FEAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br 4017096 JYPVYTCBHXKNEV-CYBMUJFWSA-N 369.215 2.267 0 40 FEAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 4166254 XBVVQGZUXJBXED-UHFFFAOYSA-N 367.409 2.189 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)cc1 4504058 BUFASGXLCQEDEV-UHFFFAOYSA-N 368.418 2.331 0 40 FEAB O=C(COc1ccc(F)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 5314838 WBHVCCOELGHFNY-UHFFFAOYSA-N 364.398 2.383 0 40 FEAB NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(Cl)cc1 5362599 BCESJGQSVOLVEE-UHFFFAOYSA-N 365.890 2.484 0 40 FEAB COc1cc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc(OC)c1 6659508 YCTRFLDGUSZGCY-NSHDSACASA-N 354.366 2.008 0 40 FEAB CCc1ccccc1Nc1nc(N)nc(Cn2nnc(-c3ccccc3)n2)n1 6785812 WQSWERWCQKOXBE-UHFFFAOYSA-N 373.424 2.462 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(Cl)c2)cc1 7891857 DGKYXTFYQVPKHA-UHFFFAOYSA-N 355.799 2.223 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1ccncc1 7989059 YJSQACIPCIFALK-UHFFFAOYSA-N 369.446 2.220 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc2c1OCCO2 8016658 YACHQDFEEDLDOK-JTQLQIEISA-N 370.361 2.438 0 40 FEAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8333818 GDRQIWQOBFHXJS-ZCFIWIBFSA-N 374.348 2.054 0 40 FEAB C/C=C/c1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC 8726210 ZOHQQEVXHHRFFX-SNAWJCMRSA-N 361.423 2.474 0 40 FEAB Cc1ccc(CNC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1F 9112973 PLTGURUOFBRENU-UHFFFAOYSA-N 356.405 2.020 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1C 9316745 RBHUZIZIZRJQHJ-CYBMUJFWSA-N 374.466 2.083 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 9570622 HAEYJQXVQAZTAC-UHFFFAOYSA-N 374.404 2.260 0 40 FEAB O=C1CN(C(=O)CCCn2c(=O)oc3ccccc32)c2ccccc2N1 9584201 FIYCYHLRDXQSJK-UHFFFAOYSA-N 351.362 2.360 0 40 FEAB C[C@]1(NC(=S)Nc2cccc(Br)c2)CCS(=O)(=O)C1 12139542 HVDUTLBZOYYROJ-LBPRGKRZSA-N 363.302 2.313 0 40 FEAB O=C(CCN1Cc2ccccc2C1=O)NCc1nc(-c2ccccc2)no1 12202498 KANIXDJFIFWVGM-UHFFFAOYSA-N 362.389 2.399 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c(C)n[nH]c1C 12789677 IAGYFSAYHXWXHV-UHFFFAOYSA-N 353.426 2.244 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(F)cc3)C2=O)cc1 14123570 OJMGNKOOORIUIS-JXFKEZNVSA-N 372.396 2.341 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1C 14241468 HSZKUYMFAPDBST-KRWDZBQOSA-N 362.495 2.493 0 40 FEAB COc1ccccc1CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 15572365 KKKRSZFABDGWNI-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)cc1 16731665 HQJAJVNSVXSRGA-SNVBAGLBSA-N 354.378 2.364 0 40 FEAB Cc1nn(Cc2ccccc2F)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 17075701 CQBLOZUFRJLKEU-YVSFHVDLSA-N 369.396 2.354 0 40 FEAB CC(C)n1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cn1 19454869 ORLJPAPNGIULJT-UHFFFAOYSA-N 368.485 2.262 0 40 FEAB Cc1ncsc1C(=O)NCc1ccc(-c2n[nH]cc2C(=O)N(C)C)cc1 19562339 QITLZTJOSDDOAW-UHFFFAOYSA-N 369.450 2.473 0 40 FEAB CN(C)c1cc(C2CCN(C(=O)C3CC3)CC2)nc(-c2cnccn2)n1 19584690 LJKJGQNBFNXIEY-UHFFFAOYSA-N 352.442 2.116 0 40 FEAB CC[C@H]1C(=O)NCCN1C(=O)CCc1ccc(-n2nc(C)cc2C)cc1 19659340 OIOMTFBGGYQMEV-SFHVURJKSA-N 354.454 2.159 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 20012940 NGSJDNLEHVDUGK-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccc5nnnn5c4)nn23)c1 20723232 GLKNWIVVEXKSSV-UHFFFAOYSA-N 370.348 2.160 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccc3c(c2)OCO3)C[C@H](C)O1 21063552 QLIRZTFMDMNKQS-GJZGRUSLSA-N 362.470 2.352 0 40 FEAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(OC)cc3)n2)cc1 21173064 KEMHYMQIIMYTJB-UHFFFAOYSA-N 366.421 2.261 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1Cc2ccccc2O1 21603115 VMOKTPIMPKXFHO-KRWDZBQOSA-N 358.419 2.169 0 40 FEAB NS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4o3)CC2)nc1 22356851 MQNYOQAEZBCLPF-UHFFFAOYSA-N 358.423 2.254 0 40 FEAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2cc(C)[nH]c2C)C1=O 24828622 PCXALQSZJFVQSO-UHFFFAOYSA-N 369.377 2.208 0 40 FEAB CN1N=C(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)CCC1=O 25146050 DBAYYKYGUYHWPS-LJQANCHMSA-N 361.405 2.377 0 40 FEAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1 26003288 AXJLFGNLWCBBKH-UHFFFAOYSA-N 361.427 2.479 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)[nH]1 31371240 HSOFHHJHZJQGHY-CQSZACIVSA-N 366.421 2.477 0 40 FEAB COC(=O)c1sccc1NC(=O)CCn1cnc2ccccc2c1=O 32493318 DWGNELAJPKAWOU-UHFFFAOYSA-N 357.391 2.273 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1F 32585915 UIZUZZJFFQMPQK-UHFFFAOYSA-N 366.414 2.472 0 40 FEAB CCCc1nnc(SCC(=O)Nc2cc(C)on2)n1C[C@@H]1CCCO1 35312423 YQAAUTJXJPTCSW-LBPRGKRZSA-N 365.459 2.437 0 40 FEAB Cc1ccc(Nc2nc(N[C@H]3CCS(=O)(=O)C3)nc3nccnc23)cc1 35681971 JQHAMJLJASCTFG-ZDUSSCGKSA-N 370.438 2.071 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 39978274 GGFRCCQIFOBVFW-AWEZNQCLSA-N 351.472 2.186 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC3CCCCCCC3)n2)n1 40267042 ZLYXQZZGSKOALP-UHFFFAOYSA-N 357.458 2.275 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2 40386763 ZRRVWNLHEMHXOD-QMMMGPOBSA-N 354.197 2.490 0 40 FEAB O=C1CCc2cc(OC(=O)c3ccc(N4CCNC4=O)cc3)ccc2N1 42887488 RMGOLMDIUFKEKY-UHFFFAOYSA-N 351.362 2.320 0 40 FEAB Cc1ccc(-c2nnc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)o2)cc1 46054916 RYMIAHTZIZSBSQ-KRWDZBQOSA-N 370.453 2.116 0 40 FEAB COCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 51318045 WOBWQPVPOBZHNI-UHFFFAOYSA-N 353.220 2.105 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccnc1N1CCOCC1 52851113 IHUBZRJXIZKJQB-UHFFFAOYSA-N 369.421 2.309 0 40 FEAB CN(CC(=O)NCC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccs1 54191049 LTEFMYGNBMZEFQ-UHFFFAOYSA-N 365.842 2.228 0 40 FEAB CCONC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 54721483 LQEALAGKSNVZPL-UHFFFAOYSA-N 353.469 2.164 0 40 FEAB O=C(CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)NC1CCCCC1 57389502 SFVOGPVGGGKKIA-HNNXBMFYSA-N 370.540 2.186 0 40 FEAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c1 57492666 ALMDQPNFGUWLMF-UHFFFAOYSA-N 371.462 2.355 0 40 FEAB COc1cccc(OC)c1OC[C@H](O)CNC(=O)Nc1cccc(F)c1 58193344 YLAWPSNTVYMPSQ-CQSZACIVSA-N 364.373 2.404 0 40 FEAB Cc1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)on1 58193630 MTUSRDBPMANIQG-UHFFFAOYSA-N 355.320 2.191 0 40 FEAB O=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022717 MOGSXEWGLBUTSV-AWEZNQCLSA-N 368.466 2.257 0 40 FEAB COc1cc(S(=O)(=O)N(C)c2ccccc2F)cc(C(=O)O)c1OC 65667955 DOQNGHOHXGWXSL-UHFFFAOYSA-N 369.370 2.366 0 40 FEAB CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 67213139 USKKJLFNZSKSEW-LBPRGKRZSA-N 357.451 2.027 0 40 FEAB CN1C(=O)N(CC(=O)OCCCc2cccnc2)C(=O)C12CCCCC2 69982366 LNRIPCYQIOITQG-UHFFFAOYSA-N 359.426 2.154 0 40 FEAB COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71287663 MRJXXZBGYJDENF-GJZGRUSLSA-N 362.426 2.376 0 40 FEAB Cc1ccccc1OCn1ccc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 72250015 NZHCHMYNCQQIIN-INIZCTEOSA-N 370.453 2.359 0 40 FEAB CC(C)(C)c1csc(CCNC(=O)C2(n3cnnn3)CCCCC2)n1 72403002 ZNMSPPIFNUYDHS-UHFFFAOYSA-N 362.503 2.445 0 40 FEAB O=S(=O)(Cc1ccccc1)NC[C@@H]1CN(Cc2ccccc2)CCO1 84538972 AIPAEYAHUASTPY-LJQANCHMSA-N 360.479 2.007 0 40 FEAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005215 UHSVHOJIHJMYRX-ZDUSSCGKSA-N 359.879 2.135 0 40 FEAB CCOc1ccccc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 102479124 ICFKJYWFCAMOHS-KFWWJZLASA-N 366.483 2.156 0 40 FEAB C[C@@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 108845200 KHGBNZFTJCISQK-CBBWQLFWSA-N 372.421 2.079 0 40 FEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217470575 KIELKQXKKVZEFI-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217600637 AUQRMKOKXMGCMN-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218389483 UCSKFHALXUPKEV-HZPDHXFCSA-N 352.839 2.251 0 40 FEAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 223125123 LCZAOBVZANJBMD-QMMMGPOBSA-N 371.415 2.348 0 40 FEAB Cc1noc(-c2cccn3c(CNC(=O)CSC4CCCC4)nnc23)n1 225747144 JXTRTVZTDKJPSB-UHFFFAOYSA-N 372.454 2.380 0 40 FEAB COc1cc(N2CCOCC2)nc(NC(=S)NC2CCCCCC2)n1 226009616 GRUOZHYLWCAIHQ-UHFFFAOYSA-N 365.503 2.331 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)nc(C)n1 257274985 NNMUWNKVZINPBA-KRWDZBQOSA-N 351.410 2.263 0 40 FEAB O=S(=O)(C1CCN(c2ccnc(C(F)(F)F)c2)CC1)N1CCCC1 286428801 LOBGXSGLOHUPRC-UHFFFAOYSA-N 363.405 2.495 0 40 FEAB Cc1nc(CN2CC[C@@]3(CNC[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306130343 JCYGYNZPJMYYDP-YJBOKZPZSA-N 359.499 2.335 0 40 FEAB Cc1cc(CN2CC3(C[C@H](COCc4cccnc4)CCN3C)C2)n(C)n1 306142027 WNGLYZCBISJRNY-GOSISDBHSA-N 369.513 2.237 0 40 FEAB CCOCCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409411527 ILXLQIGAGMBJOE-LBPRGKRZSA-N 362.879 2.037 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1c(-n2cnnn2)sc2c1CCC2 524735348 VWDJHOFLKHEECW-UHFFFAOYSA-N 369.406 2.236 0 40 FEAB C[C@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(=O)O)cn2)C[C@@H](C)O1 566302083 YGAJWUNOMQEDTG-BETUJISGSA-N 370.409 2.036 0 40 FEAB COc1ccccc1N1CC[C@@H](Oc2ccc3c(c2)CCNC3=O)C1=O 570010718 DUGZZFOOYINRSZ-GOSISDBHSA-N 352.390 2.165 0 40 FEAB O=S(=O)(N1CC2(C[C@H](OCc3cccnc3)CS2)C1)C(F)(F)F 575405743 ZQLDAVQISXJBOV-NSHDSACASA-N 368.402 2.008 0 40 FEAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccccc1Br 575619447 TVWLZNLIEOXKNH-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB COC(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)nn1 591342010 NAQDAKWESPYGTR-OAHLLOKOSA-N 366.421 3.065 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn(CCN(C)C)c2)cc1OC 630633839 RJYGBXYKBQJZBD-KRWDZBQOSA-N 372.469 2.439 0 40 FEAB CO[C@@H]1CN(C(=O)CCn2nccc2C)C[C@]12C[C@@H](c1ccccc1)CO2 643588131 VMUIUCYCHPRBEW-SFHLNBCPSA-N 369.465 2.382 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccc(Br)cn1 657729885 UCXFNESTGAMLSV-SMDDNHRTSA-N 351.248 2.445 0 40 FEAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 660971091 JKLMKAMCOAUAOF-SJORKVTESA-N 372.531 2.192 0 40 FEAB COCCn1ccc2c(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cccc21 1565525018 WVCNMYCLSKPEBZ-AWEZNQCLSA-N 357.454 2.417 0 40 FEAB O=C([C@@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCC(F)(F)CC1 2086887048 SWJJMWKRAHNRPN-HNNXBMFYSA-N 360.351 2.423 0 40 FEAB O=C([C@@H]1CN(c2nc3ccccc3[nH]2)CCO1)N1CCC(F)(F)CC1 2086964124 SRYOLJPLCYUUHX-AWEZNQCLSA-N 350.369 2.026 0 40 FEAB CN1CCC[C@H]1CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4984066 HQUUQCQLIKSKCG-SWVCQTRFSA-N 366.465 2.386 0 40 FEAB CCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 6205633 NOJNFGSTQHMFSH-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6933917 KSPIJCWMSBFJCG-ZJUUUORDSA-N 363.277 2.031 0 40 FEAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 3015547 BRNSDQMCLTWYJB-UHFFFAOYSA-N 353.426 2.013 0 40 FEAB COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccnc1 808846 HMTOPTZVUHPGDQ-CYBMUJFWSA-N 350.330 2.056 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(F)cc2)no1 12591899 CMXVDOKHAMESQB-UHFFFAOYSA-N 374.397 2.086 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2F)nc1N 903393 XFJPAYWBRJGHID-UHFFFAOYSA-N 350.375 2.105 0 40 FEAB CN(c1ccccc1C(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 55413584 YMIYQCADOMAHSO-UHFFFAOYSA-N 350.415 2.194 0 40 FEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 12531122 KGKXUFWFUQXTQV-UHFFFAOYSA-N 350.378 2.268 0 40 FEAB COC(=O)c1ccoc1COC(=O)c1cc(S(C)(=O)=O)ccc1C 24038616 ZLUXJVHHNBIUJQ-UHFFFAOYSA-N 352.364 2.135 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc2n1 100138133 GRLNYFSIOLPFMD-ZDUSSCGKSA-N 368.441 2.059 0 40 FEAB O=C(NC1CCN(c2nnnn2-c2ccccc2)CC1)c1ccc(F)cc1 26714145 GIWQXGUOCVJRBK-UHFFFAOYSA-N 366.400 2.200 0 40 FEAB CCOc1ccc(C(F)(F)F)cc1NCC(=O)NCC(=O)N1CCCC1 58193420 UXZOXQMMQAJXON-UHFFFAOYSA-N 373.375 2.255 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 12778769 RJXDLOBRUUEXEW-UHFFFAOYSA-N 363.439 2.004 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1)n1cccn1 58246400 HARGOGOARZKQDA-QAPCUYQASA-N 372.444 2.275 0 40 FEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC(C)(C)C 22252490 BSEZKHBNPZERQT-UHFFFAOYSA-N 358.460 2.018 0 40 FEAB COCCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180086 RUVXEPUYLJAVQG-URYASSDKSA-N 358.438 2.094 0 40 FEAB CC[C@H](C)NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 28230271 NAKOCGPXEPOOIF-VIFPVBQESA-N 354.252 2.493 0 40 FEAB CC(=O)NCCNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 27671902 SRYJMLJVOVOXER-UHFFFAOYSA-N 356.382 2.274 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 36398462 UUVPZGLRCRBQRS-UHFFFAOYSA-N 352.394 2.295 0 40 FEAB COc1ccc(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)cc1OC 8992602 RODARJOAFWZSDG-VIFPVBQESA-N 359.411 2.489 0 40 FEAB CNC(=O)NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 11285025 NERAAQAFEYAQNH-CYBMUJFWSA-N 373.453 2.102 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 3531951 CNNGZNRWEAELMM-HWPZZCPQSA-N 350.444 2.218 0 40 FEAB O=C(COc1cccc2c1CCC[C@@H]2O)NCc1ccc2c(c1)OCO2 12911766 RBGPSFHIPAELMW-INIZCTEOSA-N 355.390 2.480 0 40 FEAB CC(C)C[C@H](N[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 12915663 XZCQBYIDHKADIL-NXHRZFHOSA-N 366.527 2.397 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 13146722 PETTUSLHKJQRDZ-FRRDWIJNSA-N 359.426 2.391 0 40 FEAB CCC(=O)c1ccc(OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 14117664 DMXCDUMTMSMLLO-SFHVURJKSA-N 362.470 2.131 0 40 FEAB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 14139397 CJLNJYSJCDGDFE-HXUWFJFHSA-N 366.373 2.374 0 40 FEAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1 14139779 CAHCAXPVQSCJBO-QGZVFWFLSA-N 357.841 2.324 0 40 FEAB Cc1nc2cc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)ccc2o1 14125492 WVFFDSPYVANMOB-UHFFFAOYSA-N 364.361 2.168 0 40 FEAB COc1ccccc1-c1noc(COC(=O)CCNC(=O)c2ccco2)n1 14234552 FWOQHSOZXMIHEX-UHFFFAOYSA-N 371.349 2.202 0 40 FEAB COc1ccc(-n2cnnc2SCn2nnc3ccccc3c2=O)cc1 6622263 YQHKICOYDICQMH-UHFFFAOYSA-N 366.406 2.131 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccccc3)o1)CS2 5876083 RBIDYMWRLXVDRA-YVEFUNNKSA-N 359.407 2.234 0 40 FEAB O=C(c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12)N1CCSCC1 67246021 OHPHGPKVYSHZHE-UHFFFAOYSA-N 368.418 2.314 0 40 FEAB COc1ccccc1CNC(=O)Cn1cnc2ccc(Cl)cc2c1=O 7440909 DCRCEARMWUJHLK-UHFFFAOYSA-N 357.797 2.375 0 40 FEAB O=C(COc1ccc(F)cc1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 7501942 SNHZXBVHKAAAFR-IBGZPJMESA-N 373.380 2.348 0 40 FEAB CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cs2)cc1 7872450 KLFXLKRSYXBTDB-NSHDSACASA-N 373.434 2.470 0 40 FEAB CCCCn1nc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2c1=O 8156426 ZEMFNMNMXSFASL-UHFFFAOYSA-N 357.410 2.133 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1ccncc1 306131897 KSFORJWGZYBXSC-YQVWRLOYSA-N 355.413 2.098 0 40 FEAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cn1 17735955 CPSHYSIZERJVGV-GFCCVEGCSA-N 368.389 2.427 0 40 FEAB Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(Cl)cc1 409109025 ZQYGWMIIMXUAKB-UHFFFAOYSA-N 352.847 2.180 0 40 FEAB C[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1 9853907 XTTBKQKCEKHUPG-OAHLLOKOSA-N 363.417 2.306 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2c(N3CCCC3)ncnc21 95397135 YVDHHVRWTRYOTF-MRXNPFEDSA-N 367.453 2.483 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)[C@H](C(=O)O)C1 114030643 TXZPPCRYQXSVCL-ZIAGYGMSSA-N 364.398 2.233 0 40 FEAB COC[C@@H](C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704886 VEFPIIYVMJOKRE-CYBMUJFWSA-N 362.451 2.280 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 306141592 WBJDEQULGOTBSA-YXJHDRRASA-N 359.495 2.272 0 40 FEAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1F 30752986 QHRKRWOWFIYQKZ-OKILXGFUSA-N 358.479 2.481 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)c1cccnc1 36575841 RTXUXSOHNKOXIC-LJQANCHMSA-N 360.417 2.134 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1C 35360375 IFJRSYFVCMLTAZ-KXBFYZLASA-N 351.450 2.461 0 40 FEAB NC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218662474 IVOJQXDNJLFQSY-PMPSAXMXSA-N 354.834 2.075 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)on3)n2)cc1 44391263 MAGQLYRTTMDUKX-LBPRGKRZSA-N 354.366 2.415 0 40 FEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 222910317 DDRQEUVPZKTUNR-MRXNPFEDSA-N 354.450 2.444 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc21 225681032 HATJKTZHRVXEQD-UHFFFAOYSA-N 370.496 2.228 0 40 FEAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3csnn3)no2)cn1 329357319 WOPWAAURYDZODF-GFCCVEGCSA-N 359.415 2.079 0 40 FEAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc2ccccc2[nH]1 96232533 MKCRFDNXEGLELH-MRXNPFEDSA-N 350.378 2.011 0 40 FEAB O=C(NCCCCCc1nnc2ccccn12)c1[nH]nc2c1CCCC2 95480564 RCQNDUGODGEHNK-UHFFFAOYSA-N 352.442 2.474 0 40 FEAB Cc1occc1C(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 96039532 GBBGCHHUUPUUDK-IEBWSBKVSA-N 350.459 2.178 0 40 FEAB CCS(=O)(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)OC[C@H](CO)O1 96531791 CTRJYALJCLKXJQ-OALUTQOASA-N 362.447 2.349 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c(Cl)c1 25374089 WYQOOSOHGKJTFJ-HNNXBMFYSA-N 360.907 2.284 0 40 FEAB COc1cc(C)nc(N2CCN(C(=O)c3cccc(C(C)C)n3)CC2)n1 675560886 QSZRQFNMYAGQIR-UHFFFAOYSA-N 355.442 2.274 0 40 FEAB CN(CCC(=O)O)S(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 645964443 SSVQAVCOXMFYRO-MRXNPFEDSA-N 365.455 2.346 0 40 FEAB O=C(NCc1cc2c(nc1O)CCC2)c1ccc(Cn2ccccc2=O)o1 1557549512 GUNLAJXYLDJVOI-UHFFFAOYSA-N 365.389 2.009 0 40 FEAB O=C(NCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2O1 275389836 BFMOPYTVWIIXIL-OAHLLOKOSA-N 358.360 2.217 0 40 FEAB O=C1CN2CCNC[C@@H]2COc2ccc(-c3ccc(F)cc3F)cc2N1 1772594613 PXRGBHWBMWKJDB-CQSZACIVSA-N 359.376 2.237 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129511 QHOAAURZOPMMDK-DZGCQCFKSA-N 359.451 2.314 0 40 FEAB COc1cccc(CNC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1 12926581 VNEUHQYYDYFZDZ-LBPRGKRZSA-N 363.439 2.368 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585979 VLKGPINARKKQQU-UHFFFAOYSA-N 370.496 2.372 0 40 FEAB COc1ccc([C@H](CNC(=O)CN2CCSC2=O)N2CCCC2)cc1 14701050 YADMHSQZLWJCKA-INIZCTEOSA-N 363.483 2.117 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)OCc1nc2ccccc2s1 16654734 AHKCBNUGEVDCSS-UHFFFAOYSA-N 352.375 2.145 0 40 FEAB CCc1cc2c(=O)n(CCN3C(=O)c4ccccc4C3=O)cnc2s1 19356387 OYZALNFLGKYNKC-UHFFFAOYSA-N 353.403 2.317 0 40 FEAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccco3)CC1)CNC2=O 19562990 FOUOGRPJMUFRCX-UHFFFAOYSA-N 356.378 2.085 0 40 FEAB CN(C)C[C@@H]1CCCN(C(=O)CCCc2nc(-c3ccccn3)no2)C1 19582028 WBQIHYJCZBIHRM-HNNXBMFYSA-N 357.458 2.255 0 40 FEAB C[C@H]1OCCN(C(=O)c2cc(N(C)C)ccn2)[C@@H]1c1nc(C2CC2)no1 501594037 OUFSWNXWLQIYBN-ABAIWWIYSA-N 357.414 2.010 0 40 FEAB CC(C)Oc1cccc(CN(C)C(=O)c2ccnc(N3CCOCC3)n2)c1 626267660 LOHPAHJRSDGXHU-UHFFFAOYSA-N 370.453 2.373 0 40 FEAB Cc1nc2c(cc1C(=O)N1CCc3ccccc3[C@@H]1C(=O)O)c(C)nn2C 663147124 JNTGSMMVQWQEGK-QGZVFWFLSA-N 364.405 2.409 0 40 FEAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 17172449 XQVSJHPIZGWKPG-UHFFFAOYSA-N 356.463 2.389 0 40 FEAB Cn1cccc1C(=O)NC(=O)CSc1nccn1-c1cccc(F)c1 5178030 LUOHOOZRIZCMQJ-UHFFFAOYSA-N 358.398 2.399 0 40 FEAB Cc1nnc(CN2CCN(c3ncnc(-c4ccccc4)c3F)CC2)o1 1888883408 DBGPXSBRAMRUHH-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB COC(=O)[C@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 19298561 XOWMBODYGZRJNF-MRXNPFEDSA-N 362.403 2.302 0 40 FEAB Cc1nc2ccccn2c1C(=O)NCCn1c(C)nc2sccc2c1=O 245060657 PTKIBKDQRYMTOI-UHFFFAOYSA-N 367.434 2.153 0 40 FEAB Cc1ncncc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909139 YASFGPZACCCAHX-IBGZPJMESA-N 359.401 2.360 0 40 FEAB Cc1nc(CN2C[C@H]3CN(C(=O)c4ncnc(C)c4C)C[C@@H]3C2)cs1 1565542810 UVDMEUPCOBRQOB-GJZGRUSLSA-N 357.483 2.062 0 40 FEAB COc1ccc(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)cc1 4503822 FEFBVVSRGAHZCF-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 12068916 BVRZEEBPDWKFNP-UHFFFAOYSA-N 373.522 2.486 0 40 FEAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1cc(F)ccc1F 40091041 VSVOIQBMKMXHJF-LLVKDONJSA-N 358.348 2.092 0 40 FEAB Cc1sc2nc(S[C@@H](C)C(=O)N3CCOCC3)nc(N)c2c1C 40063013 UGJCFWNHPNIZIJ-JTQLQIEISA-N 352.485 2.230 0 40 FEAB C[C@@]1(c2cccc(NC(=O)COc3ccccc3Cl)c2)NC(=O)NC1=O 40110918 XGMLQVOSTVMHTI-SFHVURJKSA-N 373.796 2.412 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646829 AXTKAGPZCJURIB-RCVNGUSESA-N 363.797 2.328 0 40 FEAB O=C1CN(C(=O)c2cc(-c3ccccn3)nc3cc(F)ccc23)CCN1 32071240 YAUQGARJRHUUQI-UHFFFAOYSA-N 350.353 2.008 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccoc2C)N2CCOCC2)cc1OC 21198969 FHDCSAOKURQLLY-QGZVFWFLSA-N 374.437 2.409 0 40 FEAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)O[C@H](C)C1 32633718 RMKQLQYHJFCRAO-SPYBWZPUSA-N 371.481 2.487 0 40 FEAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 102609923 PZQQGEXEPDEQHJ-WCVJEAGWSA-N 357.797 2.252 0 40 FEAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccnn1C)CC[C@@H](C)C3 2778754 OBAHMAUYRUAHIR-SECBINFHSA-N 357.439 2.009 0 40 FEAB COc1ccc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)cc1 783269 NWDRRPGOKNASEA-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N(C)C)C1 1340214 DNINEBBNVNIKJX-AWEZNQCLSA-N 374.510 2.475 0 40 FEAB C[C@H](NS(=O)(=O)c1cnn(C)c1)c1noc(-c2ccc(Cl)cc2)n1 79044711 LTUUDFOBGCAXIX-VIFPVBQESA-N 367.818 2.163 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)N(CC(=O)OC)Cc2ccccc2)cc1 47418558 NSBAJBZUVKFGKK-JLHYYAGUSA-N 366.417 2.261 0 40 FEAB COc1ccccc1C(=O)NCC(=O)OCc1nnc(-c2ccccc2)o1 7238224 YEBYNCGQLKFNRY-UHFFFAOYSA-N 367.361 2.218 0 40 FEAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CCNC1=O 8071554 DABVBBBEQIISJH-SECBINFHSA-N 363.468 2.374 0 40 FEAB O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242337 LICCFDKVHLUPAG-UHFFFAOYSA-N 372.437 2.378 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)n1C 23575056 ZEOARBWEKLGQCJ-IBGZPJMESA-N 352.438 2.178 0 40 FEAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)NCC(F)(F)F)c1 8427788 LPLLINGAIVQXJX-VIFPVBQESA-N 360.361 2.435 0 40 FEAB Cc1ccc(OCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)c1 23731151 BMXMQQKMMGIFQG-HXUWFJFHSA-N 367.405 2.181 0 40 FEAB O=C1Nc2ccc(Cl)cc2/C1=c1/sc2nc3ccccc3n2c1=O 107758070 AZWSNICDQHLTEL-YPKPFQOOSA-N 353.790 2.433 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3sccc3C)s2)cc1 105630316 ZODNWMYMAUUBRC-GBTHVHTLSA-N 357.456 2.307 0 40 FEAB CN(C)C(=O)c1nnc2sc(-c3ccccc3Br)nn12 57354712 BCKXBJVTAQSYGB-UHFFFAOYSA-N 352.217 2.317 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1N1CCOCC1 12553937 WWDJIENQDIMBFB-UHFFFAOYSA-N 364.449 2.392 0 40 FEAB CO[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1 56468874 OODUEIIOFVJYQW-GOSISDBHSA-N 367.380 2.489 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34CO)[C@@H]1CC[C@@H]2C(=O)O 118923263 PDRJFMGTKZFELS-OEYLYHFRSA-N 352.471 2.178 0 40 FEAB CC(C)C[C@H](C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O 3254287 KJLGDAOABODLMT-QGZVFWFLSA-N 351.406 2.409 0 40 FEAB COc1ccc(C)cc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 106391326 JPPNBDPPSZJOIT-OAHLLOKOSA-N 367.405 2.473 0 40 FEAB O=S(=O)(NCc1ccccc1N1CCOCC1)c1cccc(F)c1 58299732 GCWBNSNFKPWKMY-UHFFFAOYSA-N 350.415 2.141 0 40 FEAB NS(=O)(=O)c1cnc(NCC2(c3cccc(F)c3)CCOCC2)s1 58406838 RJJIGBUAXGLUMM-UHFFFAOYSA-N 371.459 2.090 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](N1CCOCC1)c1ccc(C)cc12 107195463 HNCBEYPOUBCQGS-LJQANCHMSA-N 358.482 2.279 0 40 FEAB CC(C)c1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1Cc1ccco1 10932485 MRQBSPJMQLVDKP-GFCCVEGCSA-N 365.459 2.354 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cn(C)cn2)CC1 100750180 BHCSBTJWWAILHT-JTDSTZFVSA-N 369.469 2.229 0 40 FEAB COC(=O)c1ccsc1NC(=O)Cn1cnc2c(C)cccc2c1=O 59325995 OGBHWPBBWRSAQW-UHFFFAOYSA-N 357.391 2.192 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472845 UYRLTVVHCUVNDM-AWEZNQCLSA-N 366.396 2.414 0 40 FEAB COc1ccc(OCCOC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 3551206 KBSRFBBXSFYLBS-UHFFFAOYSA-N 350.392 2.335 0 40 FEAB O=C(COC(=O)c1cc(Br)c[nH]1)NCc1ccc(F)cc1 12980250 MSHSPVMXGRDVAU-UHFFFAOYSA-N 355.163 2.390 0 40 FEAB O=C(NCCNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 25519943 OXQNBPNRVKCOOI-UHFFFAOYSA-N 352.369 2.376 0 40 FEAB Cc1nnc(SCc2nnnn2-c2cccc(C(F)(F)F)c2)nc1O 13609274 RMXISQAJJONOCX-UHFFFAOYSA-N 369.332 2.172 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1 5244339 LFPZPDOUABHIDY-UHFFFAOYSA-N 365.393 2.169 0 40 FEAB COc1ccccc1NC(=S)NNS(=O)(=O)c1ccc(C)cc1 6390803 JSYWECCODGZFEP-UHFFFAOYSA-N 351.453 2.184 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)c2C)no1 9155956 NAFLKYDARLLEPT-LJQANCHMSA-N 370.409 2.294 0 40 FEAB O=C(c1ccc(Br)o1)N1CCN(CCc2ccncc2)CC1 9251031 ONZJIZVXBYSBPZ-UHFFFAOYSA-N 364.243 2.438 0 40 FEAB COc1cc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)ccc1OCC(N)=O 65924942 XYVRITOXWKOKFQ-KKNUOHPOSA-N 358.438 2.210 0 40 FEAB COC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)CCCCC1 66019272 DJJZWCBLCKVZAQ-UHFFFAOYSA-N 370.405 2.051 0 40 FEAB O=C(CNc1cc(F)cc(F)c1)N1CCN(C(=O)c2cccs2)CC1 14703443 ZIRPFEYRZKUPEO-UHFFFAOYSA-N 365.405 2.423 0 40 FEAB CCn1nc(C(=O)OCC(=O)N(C)c2ccccc2)c2ccccc2c1=O 9364217 UNOJYRWDVWBRBD-UHFFFAOYSA-N 365.389 2.236 0 40 FEAB Cc1ccc(OCCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 5814562 UDVJHLYPXUQPCO-AWEZNQCLSA-N 352.390 2.175 0 40 FEAB C[C@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)C(N)=O 7092863 JTZBDGXPVUJOIK-ZDUSSCGKSA-N 350.378 2.024 0 40 FEAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)NCc1ccccc1 9321047 JVZLRSZWTIFCBB-UHFFFAOYSA-N 358.401 2.479 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)c1 15520331 NWKCLXHSAFLVND-LBPRGKRZSA-N 353.382 2.171 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 7654623 FYUHRQHOQOMZBW-UHFFFAOYSA-N 356.451 2.451 0 40 FEAB CCc1cnc(CN(C)S(=O)(=O)c2cnc3c(c2)c(C)nn3C)s1 80831431 ZSZXONXWKSTNFF-UHFFFAOYSA-N 365.484 2.116 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NC1CCCCCC1 9484209 DIMZGPYYPHOCPT-HXUWFJFHSA-N 371.437 2.055 0 40 FEAB C[C@H](CNC(=O)[C@H]1COCCO1)Sc1ccc(Br)cc1 68568313 ZWEBBIUSDZRAAO-ZWNOBZJWSA-N 360.273 2.461 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306138111 RPMBZDNEXBKSIX-ZIAGYGMSSA-N 371.872 2.128 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2ccccc2[nH]1 7981679 MSUFMHHOSACMII-UHFFFAOYSA-N 358.423 2.374 0 40 FEAB C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1 8165383 LQODSESILGCYIM-CYBMUJFWSA-N 370.434 2.011 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(OC)cc2)C1=O 9501495 GALNEEZWOLRYLH-HXUWFJFHSA-N 367.405 2.126 0 40 FEAB CCOc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OCC 18043499 JLYZBOBIRBKUFB-OKILXGFUSA-N 365.426 2.277 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(OC)nc1)c1ccc(OC)c(OC)c1 8752491 XMDKSIJTNTYBKZ-AWEZNQCLSA-N 374.393 2.142 0 40 FEAB Cc1ccccc1-c1nc(CNS(=O)(=O)c2cn(C(C)C)cn2)no1 97163904 XJGCBKAUSBUAEB-UHFFFAOYSA-N 361.427 2.301 0 40 FEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1CS(=O)(=O)c2ccccc21 172328017 MHJAWARGQQGOBU-SJORKVTESA-N 357.431 2.335 0 40 FEAB CCN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409242848 PITBBBNFICKRKB-UXBLZVDNSA-N 355.188 2.379 0 40 FEAB CCc1nc(N)nc(S[C@@H](C(N)=O)c2cccc(Br)c2)n1 502133126 HOGQVQRNMMVLEX-SNVBAGLBSA-N 368.260 2.097 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)c3cccc4nn[nH]c34)[nH]nc21 527109025 JKFZTAONNWLSMU-UHFFFAOYSA-N 358.365 2.487 0 40 FEAB CCn1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c2ccccc21 527561508 CWFWSXCLWWHXHW-IGCXYCKISA-N 353.426 2.064 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)Cc1ccccc1 128049029 KPOZUGMTSMCVGY-UHFFFAOYSA-N 350.484 2.455 0 40 FEAB Cn1nc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n(C2CC2)c1=O 77148701 HOLSCDDNJLLXDP-UHFFFAOYSA-N 362.380 2.215 0 40 FEAB COc1c(F)c(F)cc(C(=O)N2CC[C@@H](Oc3cnsn3)C2)c1F 670073833 SWFOTZQMQYELQZ-SSDOTTSWSA-N 359.329 2.258 0 40 FEAB CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340273 COZUFLOYBXVAFN-WWMYMODYSA-N 373.449 2.495 0 40 FEAB CC(=O)c1cccc(NC(=O)COc2cc(C(=O)O)cc(C(=O)O)c2)c1 217729197 QYCSJMOYFSKBMA-UHFFFAOYSA-N 357.318 2.303 0 40 FEAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 70666364 UWFGSLFOSRGZIM-VXGBXAGGSA-N 360.366 2.258 0 40 FEAB biogenic O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCC1CCOCC1 1565524925 YCDLMJIJEKTIPS-UHFFFAOYSA-N 372.465 2.125 0 40 FEAB O=C(CN1CCN(C(=O)COc2ccccc2F)CC1)c1cccs1 36708296 FGFXFADDOWLMDC-UHFFFAOYSA-N 362.426 2.293 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1 223321498 KKZSRZAIUOGYFI-UHFFFAOYSA-N 361.379 2.189 0 40 FEAB NC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421102 BVTUQHKFPZAHJR-LBPRGKRZSA-N 354.435 2.353 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCCCCC2)n1 225900167 FCXGZDZBUMKFDO-UHFFFAOYSA-N 353.492 2.189 0 40 FEAB CN1CCN([C@H](c2ccccc2Cl)c2sc3ncnn3c2O)CC1 41636525 XUIYCYRMRUBXNY-CYBMUJFWSA-N 363.874 2.487 0 40 FEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1C 222412048 AHOXZZUUWXAPPA-ZUBXJJBOSA-N 350.418 2.359 0 40 FEAB C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837825 IBSLJRWPEMLWLH-HNNXBMFYSA-N 374.868 2.408 0 40 FEAB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)Cc1ccccc1F 225100491 OUDUXZHRKBCHLT-UHFFFAOYSA-N 354.447 2.204 0 40 FEAB CC(C)(C)CC(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225347 KBRASZKBFSETBA-HXUWFJFHSA-N 372.469 2.272 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3cccnc3)CC2)CN1c1ncccn1 96051810 UJRDFGRZMSJMMJ-SFHVURJKSA-N 353.470 2.379 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(OCC)n(-c3ccccc3)n2)CC1 96182497 ULCMUGAENCJIEY-UHFFFAOYSA-N 372.425 2.185 0 40 FEAB Cc1csc(CN2C[C@@H]3CN(CC4CCOCC4)CCO[C@@H]3C2)n1 96110910 NMZIYJQVZFQJSZ-DLBZAZTESA-N 351.516 2.011 0 40 FEAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(C)o1)C2 96050139 HKBZXOZJRBNKCV-OAQYLSRUSA-N 367.449 2.428 0 40 FEAB COc1cc(C)c([C@@H](C)NC(=O)N[C@]2(C(=O)O)CCSC2)cc1OC 581287654 HLILOMYVRYMNQC-PIGZYNQJSA-N 368.455 2.333 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccc(F)cc1 96181675 YMFGEXMECKSTSH-MSOLQXFVSA-N 360.360 2.180 0 40 FEAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(F)cc1)CC2 96260309 YGPLETYTLYYVTG-UHFFFAOYSA-N 356.445 2.247 0 40 FEAB COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1ccnn1C)CC2 248072063 XXYJRMJFCFIORR-MRXNPFEDSA-N 372.469 2.014 0 40 FEAB COc1cc(N2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)ncn1 248058278 VCDUIPARRKZHMS-AWEZNQCLSA-N 362.455 2.205 0 40 FEAB COC(=O)[C@@H]1CCC2=C3CC[C@]4(O)C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@]21C 253596985 YVGMAPVRFOPJJK-WHSJEZJLSA-N 364.482 2.331 0 40 FEAB Cc1ncoc1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257292225 QKODTMOPJXYLFD-MPGHIAIKSA-N 370.409 2.020 0 40 FEAB CC(=O)N[C@@]1(C)C[C@@H](c2ccccc2C(=O)O)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257252219 JTYZPPBBPHQRQB-LYYGHALDSA-N 359.422 2.437 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2ccno2)C1 257314923 UZEAABJMKYIYSC-ZDUSSCGKSA-N 353.382 2.441 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC12CC=CC2 645494128 VRZAWSYJLFHZKY-JYJNAYRXSA-N 369.531 2.091 0 40 FEAB CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1 585123623 OFYTZTLIQHSKEP-UHFFFAOYSA-N 358.442 2.042 0 40 FEAB Cc1c([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)oc2ccccc12 46651115 QKWGJLAZTWPTBW-GFCCVEGCSA-N 365.393 2.062 0 40 FEAB Cc1nc(N2CCN(c3ncnc4cc[nH]c34)CC2)cc(C(F)(F)F)n1 1776008627 KTYIVCUFICKZER-UHFFFAOYSA-N 363.347 2.402 0 40 FEAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2Br)C1 96380139 AHZKSGMXUQCMHA-UHFFFAOYSA-N 360.273 2.344 0 40 FEAB Cn1/c(=N\C(=O)CCN2C(=O)c3ccccc3C2=O)sc2ccccc21 104992414 RCLMLYWXTZPNGP-FMQUCBEESA-N 365.414 2.353 0 40 FEAB Cc1c(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cnn1C 1615129203 LGWMTNQQEKLWBY-UHFFFAOYSA-N 372.444 2.266 0 40 FEAB CCSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1 5082390 SCDKSCPIVZJCIV-UHFFFAOYSA-N 359.205 2.072 0 40 FEAB Cc1oc(-c2ccccc2)cc1C(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C 5017705 KRLLICBGCLRCJH-QGZVFWFLSA-N 358.394 2.210 0 40 FEAB O=C(NCCn1nc(-c2cccs2)oc1=O)C1(c2ccccc2)CC1 12145401 BGAQTRYCVBFERD-UHFFFAOYSA-N 355.419 2.413 0 40 FEAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)Cc1nonc1C 12228812 OJZHXSBDQUIJDU-OAHLLOKOSA-N 358.423 2.486 0 40 FEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1ccc(N2CCCC2=O)cc1 18750475 SGICTVXYUXHOFC-UHFFFAOYSA-N 371.368 2.330 0 40 FEAB Cc1ncc(CN2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)cn1 19287209 RRJGCTREQGNJOF-UHFFFAOYSA-N 362.437 2.310 0 40 FEAB COCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19592792 GCUYGOVYYKYFBN-SNVBAGLBSA-N 369.343 2.294 0 40 FEAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)NCc1ccc(OC)cc1 11480191 FWCHXMVEAKOVNW-CYBMUJFWSA-N 358.394 2.351 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)[C@@H]4CCCCO4)CC3)ccc2n1 1888853003 MWDFEKOOZYAITD-INIZCTEOSA-N 358.442 2.224 0 40 FEAB C[C@H](C(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1)n1cccn1 1888853725 YXOZCMRSEBEFOD-HUUCEWRRSA-N 357.458 2.459 0 40 FEAB CC(=O)N1CC2(CCN(Cc3csc(C)n3)CC2)C[C@@H](O)C1(C)C 2037849907 INBIRCTURLZDLN-MRXNPFEDSA-N 351.516 2.425 0 40 FEAB COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cc1 2037981194 YVADGTBWEGVGSQ-SFHLNBCPSA-N 370.424 2.317 0 40 FEAB O=C([C@@H]1CN(c2ncnc3ccccc23)CCO1)N1CCC(F)(F)CC1 2087139258 JXKYZXVZAIWNAQ-HNNXBMFYSA-N 362.380 2.093 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC[C@@H](OCCO)c3ccccc32)CC1 1565544067 CRESONPZWULOJR-BWPNAZKDSA-N 371.477 2.283 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nc(=O)n2ccccc2n1 4499741 QRMMBLYSXURJET-UHFFFAOYSA-N 356.407 2.219 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 8994338 ZMWVXYYKUDAIQF-NSHDSACASA-N 356.300 2.227 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C(C(=O)OC)=C(C)N2 100821707 FMCULZSCEHSUKM-GFCCVEGCSA-N 358.423 2.281 0 40 FEAB Cc1ccc(OCC2CCN(c3nc4ccccc4c(=O)n3C)CC2)nn1 2298068491 GZFAABRMLXCLTE-UHFFFAOYSA-N 365.437 2.327 0 40 FEAB COc1cccc(-c2nc(C(=O)NCCCO)nn2-c2ccccc2)c1 20274530 OBIAJENGYSBQJB-UHFFFAOYSA-N 352.394 2.055 0 40 FEAB C[C@H]1CN(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1 40039902 ZOCBYSXSSAOCGY-DAYGRLMNSA-N 361.467 2.115 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)OC(C)(C)C 32744619 ZDWQDEFEFLVKRC-UHFFFAOYSA-N 356.444 2.252 0 40 FEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccncc2)CC1 32882078 NMIUVWPTWHDKSS-QGZVFWFLSA-N 373.840 2.407 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1Cn1cccn1 32832872 AEMRVEJQZHQKIO-HOTGVXAUSA-N 366.421 2.045 0 40 FEAB CC(C)(C)C(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccco2)c1 32908647 MHCUXUDDGNYWMK-UHFFFAOYSA-N 357.410 2.424 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)N4C[C@H](C)O[C@@H](C)C4)sc3nc12 2722914 PPTSYZQNRYEZKP-RYUDHWBXSA-N 357.435 2.467 0 40 FEAB O=C(NCC[S@@](=O)Cc1ccccc1)c1cc2ccccc2c(=O)[nH]1 78597081 JBWYWTRJYBSLKQ-VWLOTQADSA-N 354.431 2.207 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 78581709 KZNYROOSWQJAKG-KNIAUWFNSA-N 352.475 2.118 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1cn(Cc2ccc(F)cc2)nn1 4374927 AFLNLZSFANDDPA-OAHLLOKOSA-N 368.368 2.035 0 40 FEAB aggregator Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)no1 4512492 UBTSRTZQUPYBRG-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB Cc1cc(C)nc(SCC(=O)OCC(=O)N2CCc3ccccc32)n1 7783425 WCTYDJIDCHIAJU-UHFFFAOYSA-N 357.435 2.318 0 40 FEAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc3ccccc3c2)s1)c1ccncc1 104548398 VBAKHQWLPLYEOO-YXZJEIOKSA-N 358.422 2.477 0 40 FEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1 1042150 ZVYQOARWUUOAOU-UHFFFAOYSA-N 372.372 2.006 0 40 FEAB C[C@](NC(=O)CCc1nnc(-c2ccccc2)o1)(C(N)=O)c1ccccc1 58150770 YMOBRRGAWHDDSM-HXUWFJFHSA-N 364.405 2.186 0 40 FEAB COc1ccc(OC)c(NC(=O)CNc2ccc(F)cc2OCCO)c1 58190926 NEETZRHUOLTIOE-UHFFFAOYSA-N 364.373 2.265 0 40 FEAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 24840520 WZQWHFFKWDKDBV-UHFFFAOYSA-N 350.396 2.325 0 40 FEAB Cn1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c2ccccc21 25758569 MDQMDGWKNVCTLG-UHFFFAOYSA-N 350.422 2.340 0 40 FEAB NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 3200699 HLWVGYICJUQZNZ-UHFFFAOYSA-N 351.384 2.335 0 40 FEAB COc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(N)=O)cc1OC 58191593 RCSDDHCGVVHOBD-GQCTYLIASA-N 370.361 2.183 0 40 FEAB COc1ccccc1[C@H]1c2c(-c3ccco3)nnc(O)c2Nc2nnnn21 10297416 LGFCWRYEIVUMBV-HNNXBMFYSA-N 363.337 2.132 0 40 FEAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc12 10274235 PKCGUTABCSBXLF-UHFFFAOYSA-N 358.375 2.336 0 40 FEAB NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)Cc1cccc(F)c1 58332951 JXHNFMGUDBAAAP-GOSISDBHSA-N 355.413 2.457 0 40 FEAB CN(c1ccccc1)c1ccccc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 58369631 FZSCLBKNWHGQRS-HNNXBMFYSA-N 373.478 2.170 0 40 FEAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(CCO)C3=O 2241863 KAZZQTPYVBRVJR-KRWDZBQOSA-N 351.358 2.345 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@H]3O)s2)cc1 97165561 KJFUQMRVTDHREN-LSDHHAIUSA-N 360.483 2.170 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 10779098 QDALWUFCVPJZME-UHFFFAOYSA-N 372.446 2.369 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 3367904 FRMUJHPKMDNESV-HOTGVXAUSA-N 360.454 2.366 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1F 11290125 AMWWEUIKKUHTSN-BFUOFWGJSA-N 361.417 2.251 0 40 FEAB COCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2432229 MCQFAYHMZZGJOB-UHFFFAOYSA-N 370.434 2.249 0 40 FEAB CC(=O)NCC1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 48352917 BEWCICYMDZKFFI-UHFFFAOYSA-N 362.455 2.105 0 40 FEAB COc1ccc(OC)c(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)c1 59457441 XOSGZTGOGSWXFX-GDNBJRDFSA-N 364.423 2.030 0 40 FEAB CCCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999398 MHYSYYXGTKZGOS-HNHYXYPQSA-N 354.428 2.006 0 40 FEAB biogenic CCOC(=O)[C@](NC(=O)CC)(N1CCc2ccccc2C1)C(F)(F)F 19419476 KQCGOPAOIXLBDC-INIZCTEOSA-N 358.360 2.393 0 40 FEAB CCOC(=O)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OCC 14190503 WAURKUMXORPGLQ-UHFFFAOYSA-N 362.209 2.147 0 40 FEAB COc1cccc(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[nH]2)c1OC 4550168 XYMCWMSDYANSGB-CQSZACIVSA-N 367.409 2.490 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 5876298 PETCQWLDLVWXKC-KSSFIOAISA-N 363.435 2.395 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 5889025 DZPHAPRHAFIBCV-UHFFFAOYSA-N 351.457 2.446 0 40 FEAB O=C(CN1CCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 5864589 PCMKPQGSCOYXEB-UHFFFAOYSA-N 371.890 2.159 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3ccccc32)cc1 6938592 QZPLCRWQLNIWAP-UHFFFAOYSA-N 353.378 2.000 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C2SCCS2)cc1 7783115 FQNUVISTKIGYKK-VIFPVBQESA-N 354.453 2.166 0 40 FEAB Cc1c(C(=O)NCc2nnc3ccccn23)[nH]c2c1C(=O)CC(C)(C)C2 7990821 UNMFHDCIVFAKBC-UHFFFAOYSA-N 351.410 2.451 0 40 FEAB Fc1cccc(-n2nnnc2SCc2nnnn2-c2ccccc2)c1 8157063 YMACVLRYGDRYSE-UHFFFAOYSA-N 354.374 2.069 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2F)c1 8325258 IVAKOGJTMPVIPA-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 8658338 AEXSNRCIPAYXQH-UHFFFAOYSA-N 353.426 2.095 0 40 FEAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N4CCNC4=O)cc3c2C1 8749563 IKFBMOAEBVAVQG-NSHDSACASA-N 355.394 2.001 0 40 FEAB COC(=O)CCC(C)(C)NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 89761660 VIMIMHJXUSEBRE-AATRIKPKSA-N 363.410 2.328 0 40 FEAB O=S(=O)(NC[C@@H]1CCc2ncc(-c3ccncc3)n21)c1ccccc1 306126853 FHFFKCCOQIFBJU-HNNXBMFYSA-N 354.435 2.411 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306130408 JFGZKJZZCVUABW-HNNXBMFYSA-N 353.430 2.022 0 40 FEAB Cc1nc(NC(=O)CN2CCc3ccccc3C2)nc2c1C(=O)CCC2 35775084 UKPIUQCFLXFGTD-UHFFFAOYSA-N 350.422 2.301 0 40 FEAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)s1 306123941 BBBJPEKLBZDCOR-KGLIPLIRSA-N 359.499 2.091 0 40 FEAB CC(C)(CNC(=O)Nc1ccc(OC(F)F)c2ncccc12)C(N)=O 72008153 RBABLEXXXUNIRA-UHFFFAOYSA-N 352.341 2.469 0 40 FEAB Cn1cc(Cl)c(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36619418 JMZFNDATSYXAEV-UHFFFAOYSA-N 353.773 2.431 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218000809 FMUNLIWMPFARMS-WFASDCNBSA-N 360.863 2.108 0 40 FEAB CCS(=O)(=O)N(C)C1CCN([C@@H](C(=O)O)c2cccc(Cl)c2)CC1 565105412 YTQJVFOWBJBVBT-OAHLLOKOSA-N 374.890 2.212 0 40 FEAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(-c2cccs2)on1 225804557 MYCKCRYEQRTTLN-UHFFFAOYSA-N 369.362 2.071 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 226268615 FJZRRMZWMZXQLR-UHFFFAOYSA-N 357.410 2.375 0 40 FEAB Cc1n[nH]c(SCCNC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)n1 225861657 CHDHUODVUGYFFT-JTQLQIEISA-N 369.450 2.067 0 40 FEAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96058408 ZSCQQYZLEVBWKU-GOSISDBHSA-N 372.465 2.090 0 40 FEAB c1cc(CN2CCOCC3(CCN(CC4CCOCC4)CC3)C2)ccn1 96239930 GLSKIDOPHVNZTH-UHFFFAOYSA-N 359.514 2.423 0 40 FEAB O=C1CS[C@@H](c2ccc(O)cc2)c2c(O)nn(C3CCOCC3)c2N1 96116970 UBOZERLSOZBEGH-HNNXBMFYSA-N 361.423 2.421 0 40 FEAB COc1cccc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)c1 96221624 NYJCNNQSIHOPRC-INIZCTEOSA-N 368.437 2.361 0 40 FEAB O=C(c1ccncc1)N1C[C@H](OCc2nc3ccc(F)cc3[nH]2)[C@H](F)C1 96112042 BBUKAQHDDPJSRQ-CJNGLKHVSA-N 358.348 2.476 0 40 FEAB biogenic,in-vitro O=C(c1ccc2c(c1)OCCO2)N1CCC(O)(Cc2ccncc2)CC1 537719350 CLXIOCMDPKORTC-UHFFFAOYSA-N 354.406 2.063 0 40 FEAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccccc1 245228419 WPYGCRWMUMREJK-WMHQRMGPSA-N 372.421 2.121 0 40 FEAB Cc1cncc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 257323050 WIOJKNQOLAQCGS-INIZCTEOSA-N 350.422 2.369 0 40 FEAB CCCn1nccc1-c1cc([C@@H]2CCCN2S(=O)(=O)N(C)C)ccn1 257199902 ABEXWFHNEASABF-INIZCTEOSA-N 363.487 2.298 0 40 FEAB CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](OC)[C@@H]3O)[nH]n2)cc1 257308695 TXTGJDISHFWNGY-ZTFGCOKTSA-N 359.426 2.134 0 40 FEAB c1cc2n(n1)C[C@H](CN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2 253603530 GZJJHSWMUVYKAF-QGZVFWFLSA-N 354.454 2.340 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F 622985389 WVQLSSAKONZCCJ-GWCFXTLKSA-N 365.373 2.190 0 40 FEAB COC[C@@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)[C@H]1CCCO1 668302972 VVVSFWSFQOHRPC-CHWSQXEVSA-N 372.215 2.071 0 40 FEAB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc(-c2ccc(Cl)cc2)cs1 575424370 KMNZXKXLXRQUAL-RYUDHWBXSA-N 369.855 2.159 0 40 FEAB Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 585104697 RIKBTHFFNLBLTA-HXUWFJFHSA-N 352.438 2.041 0 40 FEAB Cn1cc(/C=C/C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585290713 UWJPPVSDJYOOIF-MBKDTXBISA-N 355.438 2.301 0 40 FEAB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2n[nH]cc2C(F)(F)F)C3)n1 685943207 TVTISGWBDHQYAS-XPTSAGLGSA-N 355.320 2.314 0 40 FEAB O=C(NCC(=O)N1CCCc2ccccc21)[C@@H]1CC(c2ccccc2)=NO1 57271487 TUBATOVOUQPJLH-IBGZPJMESA-N 363.417 2.275 0 40 FEAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)nn1 585234695 AVAPXPDPDDVHBO-AWEZNQCLSA-N 374.466 2.044 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](c2cccnc2)C1 566357523 ATYFRZNJZDTVPK-RDTXWAMCSA-N 353.422 2.274 0 40 FEAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 12114564 IGMYZPAUNVRKPP-UHFFFAOYSA-N 372.494 2.339 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)C1 12146279 WEFVFOWXMRGFKE-IIDMSEBBSA-N 369.465 2.142 0 40 FEAB CC(=O)c1cnc2cc(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)nn2c1C 12203234 XISQOETWQYWZMP-CYBMUJFWSA-N 371.485 2.481 0 40 FEAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 18281215 GCXCJBUEIZTIRY-OAQYLSRUSA-N 363.417 2.005 0 40 FEAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930028 VELRAXVMCVRSLC-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB CNC(=O)c1ccc(OC)c(NC(=O)c2cnc(-c3ncccn3)s2)c1 503091337 RRPIGTYHQKSWID-UHFFFAOYSA-N 369.406 2.221 0 40 FEAB CN(C(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 5168253 KNHCBWVJTPSUKO-JTQLQIEISA-N 352.239 2.018 0 40 FEAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 6643543 ZLXROFQQFSFBHJ-RXMQYKEDSA-N 366.756 2.397 0 40 FEAB CN([C@H]1CCCN(c2nc3ccc(F)cc3o2)C1)S(=O)(=O)C1CC1 1888869378 CRKCNWDWBKWDFY-LBPRGKRZSA-N 353.419 2.360 0 40 FEAB Cc1ccc(N2CC(N(C)S(=O)(=O)c3cccc4ccccc34)C2)nn1 1888963699 MTAAWEMXSDPDNO-UHFFFAOYSA-N 368.462 2.448 0 40 FEAB O=C(Nc1nc(-c2ccco2)cs1)c1cc(N2CCOCC2)ncn1 245060749 PZJRUEYGZZGWEZ-UHFFFAOYSA-N 357.395 2.282 0 40 FEAB Cn1cc(N2C[C@@]3(CCN(C(=O)/C=C/c4cccs4)C3)CC2=O)cn1 1565555472 IODPJDVGHMBVFA-WRFKIARRSA-N 356.451 2.150 0 40 FEAB C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 1565553283 RNGAHZSUVCLMLP-HNJNHCNJSA-N 370.440 2.344 0 40 FEAB CCOc1ccc(N2C[C@@H](NC(=O)NCc3cccnc3)CC2=O)cc1 4272639 PYHMPQCHRYDGTF-HNNXBMFYSA-N 354.410 2.085 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@]1(CC2)CCN(C(=O)[C@@]2(C)CC=CCC2)C1 2055794525 ZCKZIBRIMPJJEQ-VQTJNVASSA-N 371.485 2.037 0 40 FEAB COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c1 22765570 NOHDHRWXDWVCNI-GOSISDBHSA-N 359.495 2.475 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)c2c(C)n(C)c3ccccc23)C1 4062405 HWOJBRAFOQUUCI-CQSZACIVSA-N 356.422 2.471 0 40 FEAB O=C(O)/C=C\C(=O)OCCCCCCCCCCOC(=O)/C=C\C(=O)O 100714672 MUIVCYSAOWLAIZ-HWAYABPNSA-N 370.398 2.475 0 40 FEAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073509 SQWRGPUAMPUCGT-GOSISDBHSA-N 359.514 2.172 0 40 FEAB CN(C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 40159684 DBKVBZKSBNOELS-ZDUSSCGKSA-N 351.878 2.397 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)c2c(C)nn(C)c2n1 40156247 BFNZPDUAGJALCH-ZDUSSCGKSA-N 354.414 2.296 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCc4ccccc43)CC2)o1 51097653 IJDKOVHGVPBGNH-UHFFFAOYSA-N 367.449 2.372 0 40 FEAB O=C(CCc1cccc(F)c1)Nc1cccc(CN2C(=O)CNC2=O)c1 32818288 FDISVXMRNUELBZ-UHFFFAOYSA-N 355.369 2.449 0 40 FEAB CCOC(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)n(C)n1 2798041 JSQPCHVFTNKXKL-UHFFFAOYSA-N 365.411 2.314 0 40 FEAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3546083 LGWKHCSRHXGPBL-UHFFFAOYSA-N 357.410 2.229 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccncc1 22621974 DFLLGWHPNATCMB-ZDUSSCGKSA-N 359.451 2.285 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](C(=O)O)[C@@H]2CO)ccc1O 4769473 MAEVGGSLCDAPGW-CKFHNAJUSA-N 374.389 2.112 0 40 FEAB CC(C)CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6375746 NFUCBKPCJPDHQK-UHFFFAOYSA-N 353.271 2.386 0 40 FEAB O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680724 UXKRQLABLQCGET-UHFFFAOYSA-N 372.497 2.417 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)NC(C)(C)CO)c1 6681181 ZRULSTSCJQUQPH-UHFFFAOYSA-N 368.480 2.074 0 40 FEAB CN1CCN(c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)CC1 7105400 YLBLYZFMBJHAGB-LJQANCHMSA-N 353.422 2.217 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3C(=O)C2CCCCC2)n1 100146942 BJEMUSVWQDYANB-ROUUACIJSA-N 373.497 2.407 0 40 FEAB CCn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 8090127 VMLUEMGTSMGKSM-MRXNPFEDSA-N 374.510 2.471 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2Cl)n1 102015394 SRNHROZOPRNPHB-DARAHFNDSA-N 357.797 2.252 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2cccc(C)c2C)CCO1 58174053 YYYXEULURONJFN-CQSZACIVSA-N 361.471 2.009 0 40 FEAB Cn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccncc1 3249504 QKHHEEYCJOLURM-UHFFFAOYSA-N 371.441 2.467 0 40 FEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 3204592 UDSKEEDPMCIBDW-UHFFFAOYSA-N 374.344 2.395 0 40 FEAB Cc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2151955 KENZNGGRMGTOEI-KURKYZTESA-N 354.450 2.016 0 40 FEAB biogenic COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 2106384 UQFAFQAARVMAMQ-KRWDZBQOSA-N 361.394 2.268 0 40 FEAB biogenic CCC(=O)N1CCc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc21 45036828 OATDXRHMMQCYQL-UHFFFAOYSA-N 370.478 2.405 0 40 FEAB C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 45403713 VOKLEZZTQTXESZ-HIFRSBDPSA-N 369.425 2.235 0 40 FEAB Cc1cc(C)n2nc(SCCN3C(=O)c4ccccc4C3=O)nc2n1 3467187 OOOFVZXAKBATGT-UHFFFAOYSA-N 353.407 2.129 0 40 FEAB CN(C)C(=O)CN1CCC(NCc2ccccc2Br)CC1 48819990 RNONVTSTMKDIJC-UHFFFAOYSA-N 354.292 2.091 0 40 FEAB Cc1ccsc1CN1C[C@@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306143653 YHYVGFXXLAFYJC-UONOGXRCSA-N 359.499 2.091 0 40 FEAB O=S(=O)(NCCN1CCCc2ccccc21)c1cccc2nsnc12 65479687 SOHZYXMQZGGZKR-UHFFFAOYSA-N 374.491 2.422 0 40 FEAB CN(c1ccc(C2=NN=C(NC(C)(C)C)SC2)cc1)S(C)(=O)=O 14189400 JGIHCIJXGSIXTG-UHFFFAOYSA-N 354.501 2.277 0 40 FEAB O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 5612044 OUQCICJLMJCMHG-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCOCC1 19789759 RZSXBCBCZUFCGC-UHFFFAOYSA-N 360.435 2.472 0 40 FEAB COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 9303167 DQBIMIFDTMNFSG-HUUCEWRRSA-N 368.524 2.314 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1 6909320 GFERUJULPRBLAA-UHFFFAOYSA-N 362.363 2.099 0 40 FEAB CCOC(=O)c1c[nH]c2c(C)cccc2c1=NCCCN1CCOCC1 5958517 STOGPKPFDLLBDD-UHFFFAOYSA-N 357.454 2.276 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)CC1 67284588 BBHSERNAPXAGJO-UHFFFAOYSA-N 372.429 2.079 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)ccc12 15324746 QWVJXTBAEBEGLA-SCLBCKFNSA-N 358.419 2.494 0 40 FEAB COc1ccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 9486813 OZDOTXOXQQKBPR-UHFFFAOYSA-N 357.801 2.442 0 40 FEAB Cc1cccc(CC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)c1 91162043 ZQJQZEMCADGYCD-UHFFFAOYSA-N 362.451 2.104 0 40 FEAB COc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(OC)c1 16635480 AYRCEQATSMHQPJ-UHFFFAOYSA-N 369.377 2.008 0 40 FEAB O=C(O)C[C@@H]1CN(C(=O)/C=C/c2ccc(Br)s2)CCO1 91292382 CDIRBEPLMVPTMW-HDMKULJXSA-N 360.229 2.226 0 40 FEAB COc1ccc(NC(=O)C2CCN(c3ccc(OC)nn3)CC2)c(OC)c1 95475810 YDDWHEBSJLXANF-UHFFFAOYSA-N 372.425 2.358 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3c3nncn3C)cccc2c1 95453378 ALYUQVPLDLTIHB-AWEZNQCLSA-N 357.439 2.198 0 40 FEAB COc1cc(CNc2cnn(CCN3CCOCC3)c2)c2c(c1)C[C@@H](C)O2 95445305 DAILUCAEKCASQP-OAHLLOKOSA-N 372.469 2.159 0 40 FEAB CN(CCN1CCOCC1)Cc1csc(-c2ccc3c(c2)OCO3)n1 89346233 USIPHVRFZQQZBM-UHFFFAOYSA-N 361.467 2.303 0 40 FEAB CCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N(C)C 89949407 LLDGKJRIGAPSOR-ZDUSSCGKSA-N 356.264 2.234 0 40 FEAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051399 HWRPXOMFVZSNQH-ZDUSSCGKSA-N 353.465 2.438 0 40 FEAB c1csc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 306141060 VKNHCMBQXREEPY-CQSZACIVSA-N 370.482 2.012 0 40 FEAB Cc1csc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)n1 306124552 BTNDDHJOJAGNPU-RBSFLKMASA-N 363.508 2.390 0 40 FEAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1ccn(C(F)F)n1 72392152 JGWFUJQTDJRHFF-UHFFFAOYSA-N 366.368 2.242 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1C(=O)O 70666219 INTJKFKTJDDBCJ-UHFFFAOYSA-N 373.361 2.370 0 40 FEAB biogenic CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F 220094486 QEJPQGQNLCUOPS-UHFFFAOYSA-N 372.368 2.186 0 40 FEAB CCOCCCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 138448701 PCSZLEBGNFJRRU-UHFFFAOYSA-N 363.414 2.229 0 40 FEAB COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)nc2ccccn2c1=O 96115231 PIWGZGNIKBPITA-CQSZACIVSA-N 354.362 2.104 0 40 FEAB biogenic NC(=O)c1csc(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 578861057 OKCKSTUBGCQAMB-BETUJISGSA-N 352.362 2.149 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1F 96071528 INIGLNXSMYCJDR-KRWDZBQOSA-N 354.447 2.164 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2 96045020 ILKOIMGGYROQRZ-KRWDZBQOSA-N 359.470 2.399 0 40 FEAB CC(C)CCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 230097869 CJYWTETVWSXBGI-HZPDHXFCSA-N 370.902 2.200 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96038518 KHTJMUGJGMWXRD-UHFFFAOYSA-N 354.406 2.447 0 40 FEAB Cc1cc(NC(=O)c2cccc3c2ccn3C)n([C@@H]2CCS(=O)(=O)C2)n1 95477891 PCPUOOPSMHNCIW-CYBMUJFWSA-N 372.450 2.295 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 96053194 GMAUXULMBMGBBP-HNNXBMFYSA-N 360.454 2.039 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 257344161 ZWAAFDBWEHBCON-OAHLLOKOSA-N 354.454 2.481 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 257209130 BPEAXZVOMRQZDX-AWEZNQCLSA-N 357.458 2.279 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1Cc1ccoc1 253590473 BONPHBBRYKYEGJ-CQSZACIVSA-N 351.410 2.378 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3cc(F)cc4nccnc34)C[C@@H](C)O2)o1 619287831 TXHSFOUSHXXBMS-YMTOWFKASA-N 357.345 2.063 0 40 FEAB CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)CCc1c(F)cccc1F 625142209 YYUVCMLUDQIFJS-ZDUSSCGKSA-N 369.437 2.228 0 40 FEAB CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C1 629813285 JFKPGOVFDXUJNV-BHYGNILZSA-N 354.454 2.357 0 40 FEAB COC[C@@]1(C(=O)O)CCCN1C(=O)CCc1ccc(OC)c(Cl)c1 643849075 SELDMKUPXWGJTL-QGZVFWFLSA-N 355.818 2.373 0 40 FEAB COc1ccccc1N1CCC(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)CC1 1775961706 TXWXJDSNEDBXJM-QAPCUYQASA-N 357.458 2.292 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2cnn(C(C)C)c2)Cc2cccn2C1 585099089 KJDFZWCLDJGICY-KRWDZBQOSA-N 373.501 2.050 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@@H]32)c1 585109693 ZYKZWXJNCVKWJQ-GBESFXJTSA-N 368.433 2.442 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccco3)[C@@H]3OCC[C@H]32)cc1 585109273 FUCWRMZCHPTPMD-NSHGMRRFSA-N 368.433 2.063 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 585102883 GHYKRAXPTOCDAH-KRWDZBQOSA-N 364.461 2.273 0 40 FEAB COc1cccc(CN(C)C(=O)CN2CCN(c3ccccc3)CC2)c1 69147214 WVQHTDONEPWMGR-UHFFFAOYSA-N 353.466 2.476 0 40 FEAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 55348008 SMIZXETZQOFUOY-CQSZACIVSA-N 354.406 2.169 0 40 FEAB C[C@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(=O)NC1CCCC1 56160916 QKQZIJGZUGBNLO-ZDUSSCGKSA-N 374.441 2.208 0 40 FEAB CCN(CC)C(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 58203496 PXKKOMAATWWXLE-UHFFFAOYSA-N 362.499 2.145 0 40 FEAB COC(=O)[C@H]1COCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 78971689 QHLUHCXPSGIAPJ-CQSZACIVSA-N 374.418 2.014 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)CC4CCCCC4)C3)c2n1 12085007 QWGCHLUIRAHYSB-HNNXBMFYSA-N 372.473 2.444 0 40 FEAB O=C(c1cccnc1)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 12115132 SOJYSDJJAUCWFD-UHFFFAOYSA-N 362.389 2.335 0 40 FEAB COc1ccccc1C1(O)CCN(CCNC(=O)c2cccs2)CC1 12326245 XSZBIWVJZMJHBD-UHFFFAOYSA-N 360.479 2.470 0 40 FEAB Cc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(-c3ccco3)c2s1 13010521 UVIDLMGEWCTTFX-UHFFFAOYSA-N 370.390 2.331 0 40 FEAB Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]21 19237720 SHYHTGWBMRESFK-KAGYGMCKSA-N 368.477 2.491 0 40 FEAB COCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 19592710 LFYMUXMRLHPJPA-IBGZPJMESA-N 358.463 2.308 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)[nH]1 19937483 PDBBFXDHDKZHRH-UHFFFAOYSA-N 374.872 2.240 0 40 FEAB Cc1ccc(-c2nc(C(=O)OCc3nc(N)nc(N(C)C)n3)cs2)cc1 11128053 FWCUFLCKNWIQRE-UHFFFAOYSA-N 370.438 2.309 0 40 FEAB Cc1nc2c(c(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)n1)CCC2 1888856594 DNLVPLIRIMRBFV-UHFFFAOYSA-N 362.384 2.034 0 40 FEAB Cc1cc(OCC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)ccc1Cl 1888860196 UPERKPJFCJJHKS-GASCZTMLSA-N 372.856 2.412 0 40 FEAB O=C([C@@H]1CCOC1)N1Cc2c(-c3ccccc3)ncnc2-n2nccc2C1 1614933594 PNMHOHOLSZNQNO-OAHLLOKOSA-N 361.405 2.208 0 40 FEAB COC1(CC(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)CCC1 1614929080 CPHCXCRBMQABOE-IBGZPJMESA-N 357.454 2.386 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC[C@H](OCCO)c3ccccc32)CC1 1565544069 CRESONPZWULOJR-KVPLUYHFSA-N 371.477 2.283 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1C 4940770 DSSKOLASMOQPQU-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1COC2(CCCCC2)O1 4941259 OBLDDFSBRMPQAJ-CYBMUJFWSA-N 359.419 2.188 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCCCc1ccc(N(C)C)cc1 11693766 RCUINCPIJLPICZ-UHFFFAOYSA-N 355.438 2.449 0 40 FEAB Cc1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1C 225668863 YFAQJTHBWBNZLI-MQVJKMGUSA-N 351.472 2.380 0 40 FEAB COc1nn(C)cc1C(=O)NCCn1nc(C)c(-c2cccs2)c1C 575613232 XVYLPVLZWGUCHY-UHFFFAOYSA-N 359.455 2.401 0 40 FEAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)c1 11696917 PIQUOQKPTVYOEY-UHFFFAOYSA-N 364.409 2.479 0 40 FEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073578 LPYOSABQADEEAL-MOPGFXCFSA-N 357.498 2.068 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-n2cccc2)cc1 20745959 VJCHWQJKJRZYKG-UHFFFAOYSA-N 369.446 2.097 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)N(C)C)cc1 32202062 RRBFNMKDMRDNQT-GOSISDBHSA-N 367.453 2.252 0 40 FEAB CC(=O)NCc1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 32741888 UIYKDWQNXFIIQA-LJQANCHMSA-N 366.417 2.499 0 40 FEAB Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 52528380 YSBXJNCUNKBRLI-JTQLQIEISA-N 352.316 2.431 0 40 FEAB CS(=O)(=O)c1ccccc1S(=O)(=O)NCCc1ccc(Cl)cc1 24051081 BJXMQEPWECQCFT-UHFFFAOYSA-N 373.883 2.265 0 40 FEAB CCc1nnc(NC(=S)NC(=O)COc2ccc(OC)cc2)s1 2236054 TYAIXSXMMCDSKN-UHFFFAOYSA-N 352.441 2.001 0 40 FEAB O=C(c1cc(Cl)ccc1O)N1CCN(C(=O)N2CCCCC2)CC1 22476462 BNIIMFNTLKITMJ-UHFFFAOYSA-N 351.834 2.409 0 40 FEAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(OC(F)F)cc1 4484326 GWZLOVFAKLPXQP-CYBMUJFWSA-N 354.309 2.453 0 40 FEAB COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 984238 AHIXJJWCUYTEII-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCC1 6883406 IIHCWTPODVOHBU-UHFFFAOYSA-N 366.483 2.299 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccc(C)o1 23863519 QWKMOFODFBHXAU-UHFFFAOYSA-N 352.412 2.376 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 23873946 AOGXUDDRHAKZLA-OAHLLOKOSA-N 364.396 2.255 0 40 FEAB Cn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1COc2ccccc2O1 8734499 AXCOFVUMUJTCNH-OAHLLOKOSA-N 374.466 2.479 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 55415613 TWIJSLMEVHNNSN-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCN(C(=O)C2CC2)CC1 44735344 DNPAWOSBDWKRKP-UHFFFAOYSA-N 369.465 2.474 0 40 FEAB CCOC(=O)c1ccc([C@H]2N=c3ccc(N)c(Br)c3=N2)cc1 103533800 PHIMUVIRYFMBPA-HNNXBMFYSA-N 360.211 2.160 0 40 FEAB CCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 58226664 BQGVTDPBXXEDBB-UHFFFAOYSA-N 367.449 2.444 0 40 FEAB CN(C)S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 27958470 VIWFPKYHMVLGRV-UHFFFAOYSA-N 356.451 2.435 0 40 FEAB Cc1cccc(Cn2cccc(C(=O)N3CCC4(CC3)OCCO4)c2=O)c1 58407411 VYTWUGYRJOLNTA-UHFFFAOYSA-N 368.433 2.184 0 40 FEAB CCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccc(OC)c(OC)c1 20797688 WMAHLBPNFTVWQC-UHFFFAOYSA-N 356.382 2.466 0 40 FEAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](O)COCC(C)C)c1 45718160 YYVPSSIOLVCQDJ-CXAGYDPISA-N 351.447 2.039 0 40 FEAB CCN1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 59883867 QTKBQITVJCNUCW-UHFFFAOYSA-N 362.433 2.163 0 40 FEAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 12846900 ARBYABFJCHAFRV-JTQLQIEISA-N 352.350 2.332 0 40 FEAB Cc1nnc(SCC(=O)c2cc(C)n(CCC(C)C)c2C)n(N)c1=O 3424396 DJJWTOLKOQFOPO-UHFFFAOYSA-N 363.487 2.100 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc(O)c1 12900653 HBCJQKYSHORWTR-UHFFFAOYSA-N 351.362 2.066 0 40 FEAB biogenic CCn1c(C)cc(C(=O)Cn2cnc3oc(C)c(C(=O)O)c3c2=O)c1C 13057208 HXTNRGARDPDWFW-UHFFFAOYSA-N 357.366 2.317 0 40 FEAB CCn1cc(CN2CC3(C[C@H](CCOc4cncc(C)n4)CCO3)C2)cn1 306130016 ITZJFQRXWXRFJC-QGZVFWFLSA-N 371.485 2.452 0 40 FEAB COc1ccc(Cn2nc(C)n(-c3ccc(OC)cc3OC)c2=O)cc1 4089206 GUVJOAHUHYHDNE-UHFFFAOYSA-N 355.394 2.417 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 4469580 NYEGKHADVUNGIV-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(F)cc3)ccc21 14075385 WCSYCYNOOZSYAA-UHFFFAOYSA-N 362.426 2.468 0 40 FEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccs1 14124617 CZWNDOCSBWDGDC-UHFFFAOYSA-N 361.423 2.299 0 40 FEAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4545085 ZEDVTFWQYJXCBF-ZDUSSCGKSA-N 365.904 2.318 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 14307192 SFBWXQINZIJWSG-CYBMUJFWSA-N 358.442 2.075 0 40 FEAB Cc1cccc(-c2noc(C(=O)NCCNC(=O)c3ccccc3F)n2)c1 15082021 BCFIXCCUIXOZGG-UHFFFAOYSA-N 368.368 2.344 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(OC(F)(F)F)cc1 6993227 ZZDDHWXORYIQCA-UHFFFAOYSA-N 371.315 2.485 0 40 FEAB O=C(NCC1(O)CCSCC1)C1(c2ccc(F)cc2F)CCOCC1 90057405 VMXAACVHPMNDBV-UHFFFAOYSA-N 371.449 2.387 0 40 FEAB NC(=O)C(=O)c1cn(CC(=O)NCc2ccccc2Cl)c2ccccc12 408572755 RYOZPDZOOKKKOK-UHFFFAOYSA-N 369.808 2.279 0 40 FEAB CCOc1ccccc1OC(=O)c1nc(S(C)(=O)=O)n2ccccc12 67657809 AIJSPWZSWUFFET-UHFFFAOYSA-N 360.391 2.356 0 40 FEAB Cc1nnsc1CNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67894569 OVCFFPLZQOBQPK-SFHVURJKSA-N 366.531 2.260 0 40 FEAB COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCOC1=O 67988218 KOQZDZIFCMMAAC-STQMWFEESA-N 360.366 2.257 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c1 7530363 GZQVBRCAYSOBHA-UHFFFAOYSA-N 371.470 2.142 0 40 FEAB Cc1sc(N2CCOCC2)nc1-c1ccc(NS(C)(=O)=O)cc1 8195533 SWYFZNHMPVSHPN-UHFFFAOYSA-N 353.469 2.327 0 40 FEAB O=C(CN1CCC(O)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 69245604 YQLUALOXIFTMNW-HNNXBMFYSA-N 359.451 2.476 0 40 FEAB CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccccc2-n2cccn2)C1 95447496 FPKFKZOFFMEYMT-UHFFFAOYSA-N 356.426 2.469 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 18204220 HUKGLGURQPMNBS-GFCCVEGCSA-N 367.405 2.360 0 40 FEAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)c1C 8719442 RIPOLRKQYJFARQ-MRXNPFEDSA-N 352.500 2.470 0 40 FEAB COc1cc(CN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc(OC)c1 306142118 WQDFTVFHPYANBS-KFKAGJAMSA-N 370.453 2.053 0 40 FEAB O=C(Nc1cncc(Br)c1)N1CCC[C@H](N2CCCC2=O)C1 95975667 BCOLPCQOYCPSKO-ZDUSSCGKSA-N 367.247 2.463 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1C 408601546 BJLYEQDLUUSSRE-AWEZNQCLSA-N 356.488 2.223 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)C1CCCC1 30869274 YFXITOTZXFZHBE-UHFFFAOYSA-N 366.483 2.494 0 40 FEAB O=C(CSc1nnc(Cc2ccccc2)n1C[C@@H]1CCCO1)NC1CC1 35312394 PTFJTDUESRPREZ-INIZCTEOSA-N 372.494 2.419 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1OC 224910846 VHWXIHLZJMAOMK-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB Cn1nc(OCC(=O)Nc2ccon2)c2cc(Br)ccc21 226754596 VCSIDTPLGNHWAV-UHFFFAOYSA-N 351.160 2.341 0 40 FEAB O=C(c1cccc(F)c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 247873600 MRMAWFBOLSLEDW-MJGOQNOKSA-N 359.401 2.113 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 257202423 ALSISWIKCOSFMZ-SFHVURJKSA-N 354.454 2.369 0 40 FEAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596857 WNGAUFNQWOMJDC-NNSOFZPJSA-N 358.438 2.094 0 40 FEAB O=S(=O)(Cc1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1 25367450 ZQJVNRMJWJEXGW-UHFFFAOYSA-N 370.490 2.280 0 40 FEAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3csc(CO)n3)CC2)cc1 631602810 OKCVBSRBQNHCPJ-UHFFFAOYSA-N 373.478 2.112 0 40 FEAB Cc1cc(CN2CCC[C@@](O)(CC(N)=O)C2)ccc1Oc1cccnc1 643746390 KKFQUQGMFMFGNB-HXUWFJFHSA-N 355.438 2.385 0 40 FEAB COC[C@@]1(C(=O)O)CCCN1C(=O)Cc1cccc2ccc(OC)cc12 643852415 BUVFJUCLMLWBQX-HXUWFJFHSA-N 357.406 2.483 0 40 FEAB C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@@H]25 1772820186 HAGBWVNSVWLTKY-BRNOYXABSA-N 366.461 2.314 0 40 FEAB biogenic C=CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 1776002211 XHMZPQQLAGCMRN-PIGZYNQJSA-N 368.836 2.442 0 40 FEAB CC(C)c1ccc(N(C)S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 296197484 JEUIFIVQAVTBKR-CQSZACIVSA-N 359.513 2.401 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cccnc2)on1 585098300 VSGCECOGBOFDKZ-OAHLLOKOSA-N 353.382 2.068 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)ccn1 585280737 OGRXWANCKIPGRP-SJLPKXTDSA-N 353.422 2.106 0 40 FEAB Cc1nc(C)c(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)s1 1155127905 MMQKDYPWLWJECP-UHFFFAOYSA-N 353.455 2.334 0 40 FEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCO[C@@H]2CCC[C@H]21 54449116 AMBXBQOKAPEZOE-RTBURBONSA-N 359.470 2.347 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c1 56087973 AXSTXNCYGZIDDH-UHFFFAOYSA-N 360.414 2.252 0 40 FEAB O=S(=O)(CCc1ccccc1)N1CCCN([C@@H]2CCSC2)CC1 1565522486 ITKRYSBQPREJFP-QGZVFWFLSA-N 354.541 2.072 0 40 FEAB CCN1CCN(c2ccccc2CNCC2(N(C)C)CCOCC2)CC1 88723706 ZRMNDDHICKYWSJ-UHFFFAOYSA-N 360.546 2.029 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)OC 15953882 MGOAXPTZZCZRCU-MLGOLLRUSA-N 352.431 2.133 0 40 FEAB biogenic CC(C)(S[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O)[C@@H](N)C(=O)O 5027209 NSWWTVWUNAQUQG-HOCLYGCPSA-N 372.446 2.395 0 40 FEAB Cc1ccccc1OC[C@H](O)CN(c1ccc(F)cc1)S(C)(=O)=O 16839754 MXJCVMJDNUIDGY-MRXNPFEDSA-N 353.415 2.340 0 40 FEAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1cccc(F)c1F)CC2 19292761 UMLJWHNXFDNAQR-UHFFFAOYSA-N 369.375 2.106 0 40 FEAB CCN1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 19528064 FTHYMYYUQZZRCL-FQEVSTJZSA-N 362.481 2.448 0 40 FEAB O=C1CC[C@@H](CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)N1 19660252 GKERKBHSHAGQRX-ZDUSSCGKSA-N 358.467 2.004 0 40 FEAB CC(C)c1cc(-c2cc(NCCN3CCCC3=O)nc(N(C)C)n2)no1 19718063 BTFWAMMSUJTPNR-UHFFFAOYSA-N 358.446 2.355 0 40 FEAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN3CCC[C@@H]3C2)CC1 19745337 FJCYHBYVCHLSOY-HXUWFJFHSA-N 369.509 2.164 0 40 FEAB O=C(Cc1ccsc1)N1CCC[C@H](Cn2nnc(-c3ccccn3)n2)C1 19403536 IRKPTRSZCSUJMU-HNNXBMFYSA-N 368.466 2.278 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)c1 5166077 YFLSEESTEOIAOZ-UHFFFAOYSA-N 351.362 2.335 0 40 FEAB Cc1noc(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1 1888864051 AOPFVPXKXUNVGY-UHFFFAOYSA-N 350.373 2.305 0 40 FEAB COc1ccccc1N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 1888903824 SOSSAZRWYAJYPS-UHFFFAOYSA-N 350.426 2.306 0 40 FEAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccccc5)C[C@H]4C3)nn12 1888906307 XCRXBQCDSVBZSQ-GASCZTMLSA-N 363.425 2.033 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)C1CC1 1889139817 ADWTVWIMEUWUPU-LBPRGKRZSA-N 366.874 2.334 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4sc(C)nc4C)C[C@@H]32)n1 2056223546 RCKVZYUUJNFRLC-IRXDYDNUSA-N 372.494 2.189 0 40 FEAB O=C1C[C@H]2[C@H](CCN2c2cc(C(F)(F)F)ncn2)N1Cc1cccnc1 1565541869 GITUXURHFGJHAR-STQMWFEESA-N 363.343 2.270 0 40 FEAB O=c1c(=O)n(-c2ccc3c(c2)OCO3)ccn1Cc1ccc(Cl)cc1 4569896 RUSJRNCXYURVIB-UHFFFAOYSA-N 356.765 2.430 0 40 FEAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 8961583 TYNFXTINDKGSFU-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]21 2055750942 PEHICAIEHIJWLN-NLWGTHIKSA-N 359.470 2.449 0 40 FEAB O=S(=O)(C1CC1)N1Cc2cn(CC3CC3)nc2[C@H](COCC2CC2)C1 2055751443 YYIHUYRHSRZVFS-INIZCTEOSA-N 365.499 2.111 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1ccco1)n1cccn1 575612888 CVEVDAGNSAXNGY-INIZCTEOSA-N 373.434 2.046 0 40 FEAB O=C(NCC[C@@H](CCO)c1ccsc1)C(=O)NCc1cccs1 618255220 NMWUSKRSZUAKNV-LBPRGKRZSA-N 352.481 2.098 0 40 FEAB COCCC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19593123 FKVRWAPIWOCNEA-ZDUSSCGKSA-N 374.416 2.051 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NC[C@](O)(c1cccs1)C1CC1 77173548 CLNFFXUAEUILKF-GOSISDBHSA-N 358.419 2.070 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1C 40087123 MJGZAOSZORVQRZ-QMMMGPOBSA-N 373.638 2.315 0 40 FEAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)Cn2nnc3ccccc32)c1 40090325 AQMVAIUOVGYPOW-UHFFFAOYSA-N 357.801 2.425 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cnns2)CC1 40151354 KMWWFUWKPWOGAK-UHFFFAOYSA-N 359.407 2.044 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 20101580 FHRPTRWJSZIKFE-OAHLLOKOSA-N 368.412 2.115 0 40 FEAB O=C1[C@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1ccc(F)cc1 102677556 XAXCJQGPSUHBLW-RCCFBDPRSA-N 351.381 2.361 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 52774009 VTQSVXADMMNLAE-YPMHNXCESA-N 374.890 2.185 0 40 FEAB CCc1n[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1 8707606 OTYMVTYWIYHWJK-UHFFFAOYSA-N 367.862 2.210 0 40 FEAB CN(C)c1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1 938450 WMUVSGBCOCOYCQ-AWEZNQCLSA-N 371.418 2.270 0 40 FEAB O=C(NCCCN1CCCC1=O)NC[C@@H](c1ccco1)N1CCCCC1 53492818 XVZHNOABXODOSC-INIZCTEOSA-N 362.474 2.118 0 40 FEAB CCCn1c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)n[nH]c1=O 7532792 SCBOKACJTQEHDT-VIFPVBQESA-N 366.409 2.263 0 40 FEAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)C1 47617811 WDPCAHZRSFPJLK-GOSISDBHSA-N 374.529 2.050 0 40 FEAB Cc1nc(C)c([C@H](C)NC(=O)CCNS(=O)(=O)c2ccccc2)s1 56020645 FLAMODQJKMLCEK-LBPRGKRZSA-N 367.496 2.306 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 25507782 XQWFCQJECAZJIS-UHFFFAOYSA-N 359.451 2.148 0 40 FEAB Cc1cc(O)n2nc(C3CCN(C(=O)C[C@H](C)n4ccnc4)CC3)cc2n1 100137499 BFWDEFLRHLDYRX-AWEZNQCLSA-N 368.441 2.297 0 40 FEAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc(O)cc2)CC1 3259430 QPKCCKVVNBZDTF-UHFFFAOYSA-N 354.378 2.181 0 40 FEAB O=c1oc2ccccc2n1CCS(=O)(=O)N[C@H]1CCc2ccccc21 12686890 IIPVOYLSHFSQKO-HNNXBMFYSA-N 358.419 2.201 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 57993702 NXRGODDPWFKMMV-LSDHHAIUSA-N 370.419 2.449 0 40 FEAB COC(=O)c1ccc(Cn2nc(-c3ccc(OC)cc3F)ccc2=O)o1 44892545 QDNFSWBANQNTKI-UHFFFAOYSA-N 358.325 2.486 0 40 FEAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4c(s3)CCC4)cc21 58417121 FFGRHUDVNRCMQG-UHFFFAOYSA-N 363.464 2.055 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)NC1CCCCC1 10655616 SGAJOYPZZPPKQE-CQSZACIVSA-N 356.426 2.321 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10958962 RZULDCCBKAMZLP-UHFFFAOYSA-N 357.435 2.419 0 40 FEAB O=C(NCCSc1ccccc1)c1ccccc1CN1C(=O)CNC1=O 11675500 DQAGFFXYRQZSTI-UHFFFAOYSA-N 369.446 2.261 0 40 FEAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)noc2C)c(F)c1 29476272 PXNVHKFGZHPTAL-UHFFFAOYSA-N 355.391 2.046 0 40 FEAB COC(=O)[C@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 13000201 FRJATOWEQGKGCL-AWEZNQCLSA-N 368.433 2.370 0 40 FEAB CN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O 22230409 DQUUNEWSPQMCJK-UHFFFAOYSA-N 366.483 2.468 0 40 FEAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 6011554 XYISKGARIJOICK-JARNTUPDSA-N 355.774 2.338 0 40 FEAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)CO 13732262 OWMFCNSHRAKQRP-JXFKEZNVSA-N 368.477 2.456 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cc(C)ccc3O)ccc21 14185295 BGZOWDGFDZVWDW-UHFFFAOYSA-N 368.389 2.405 0 40 FEAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 4554452 FKRJGNSAJDXCAD-UHFFFAOYSA-N 353.371 2.203 0 40 FEAB O=C(Nc1ncc(Br)cn1)Nc1ncc(Br)cn1 62701821 XSKAGBVUODZMIP-UHFFFAOYSA-N 373.996 2.436 0 40 FEAB CCOc1cccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1O 409097601 MOZJBTVRGIJAIG-YXYQAXARSA-N 351.380 2.389 0 40 FEAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1ccnn1C 96118366 UCVWDXITQUMNJC-AWEZNQCLSA-N 370.409 2.143 0 40 FEAB CSCC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nnc2ccccn12 96117917 UXSDFIJQOTUKMD-ZDUSSCGKSA-N 356.455 2.165 0 40 FEAB COc1ccc(-n2c(C)c(C)c3c2N=CN2CCS(=O)(=O)N=C32)cc1 7736514 LVEGAGPHAHGDAU-UHFFFAOYSA-N 358.423 2.168 0 40 FEAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1C1CC1 7841312 ASAUHHLZCWFGDM-VIFPVBQESA-N 372.454 2.464 0 40 FEAB CCCNC(=O)CNC(=O)Nc1c(C)cc(Br)cc1OC 72040080 VHJYLWXADWPYOE-UHFFFAOYSA-N 358.236 2.414 0 40 FEAB CC(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709886 YXJYCKKJQXVMKS-UHFFFAOYSA-N 357.410 2.310 0 40 FEAB O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(CCO)CC1 97090280 ZGGYIGLCHWMPIL-UHFFFAOYSA-N 353.344 2.004 0 40 FEAB CCOC(=O)c1cc(NC(=O)CN2C(=O)CSc3ccccc32)cn1C 72304392 JHQXVKBFLVAWFC-UHFFFAOYSA-N 373.434 2.279 0 40 FEAB CCOC[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)C1 72311381 PNMCNIYXXAQCFD-CRAIPNDOSA-N 373.453 2.069 0 40 FEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccnn1Cc1ccccn1 89505768 QCBQTJTZNDFYOS-ZDUSSCGKSA-N 367.457 2.429 0 40 FEAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCn2ncnc2C1 547448738 WUSJFLKZDOBRKB-UHFFFAOYSA-N 368.441 2.307 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccccn2)ccc1OC 408586277 MZBMYGRLTCRIRU-UHFFFAOYSA-N 365.411 2.137 0 40 FEAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218112828 WXMVYJRRSNSDMK-QYZOEREBSA-N 361.463 2.287 0 40 FEAB COc1ccccc1CNC(=O)CSc1ccc(-n2cccn2)nn1 70635232 JVOVYTXMEZHYSC-UHFFFAOYSA-N 355.423 2.079 0 40 FEAB CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C[C@H](C)n2ccnc2)s1 565052258 WMTQJYCSWUKJPI-QJPTWQEYSA-N 364.475 2.028 0 40 FEAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 24960979 CEGQAQXDTVSNRV-XCLFUZPHSA-N 357.454 2.247 0 40 FEAB CN(CC(=O)NCc1ccco1)Cc1cc(Cl)c2c(c1)OCCO2 39987555 MOMQALFSYDRIOQ-UHFFFAOYSA-N 350.802 2.452 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1OC 44246731 QYNPSHSMUNGAAP-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB Cn1ccnc1[C@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)C1CC1 570311796 WOYUIASFCQAKOL-MRXNPFEDSA-N 354.410 2.454 0 40 FEAB CCCSc1ncc(Br)c(C(=O)NCCCC(=O)O)n1 41157354 LVACGEYHHYNGHI-UHFFFAOYSA-N 362.249 2.336 0 40 FEAB O=C(NCc1nccc(N2CCCC2)n1)Nc1ccc2c(c1)OCCO2 224154126 PGMYLPYQEBDTLA-UHFFFAOYSA-N 355.398 2.170 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)no1 248066939 XHILYRUJAKBTRX-AWEZNQCLSA-N 363.439 2.338 0 40 FEAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@@]1(COC(=O)C1)O2 524730775 XCEIXRWKIFQZDC-OROXICGFSA-N 352.471 2.427 0 40 FEAB biogenic O=C(C1CC1)N1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247792716 AXPKRYAJZIQUBA-NRFANRHFSA-N 364.449 2.499 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCc3nc(N4CCOCC4)ncc32)C1 248154606 YENWCGNOYUVGCN-INMHGKMJSA-N 374.485 2.012 0 40 FEAB O=C(Cn1cccnc1=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257263317 LPHSBUNSJOPQGX-XKQJLSEDSA-N 373.840 2.213 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 257305132 SONXLUPXPCOXDR-FEAKQIBJSA-N 359.451 2.233 0 40 FEAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1CC1CCOCC1 253591129 JYBZTWQPHNPPLX-OAHLLOKOSA-N 369.469 2.011 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)CCC(=O)O)C2)ncn1 257306442 SUHGHNQMQDDILJ-CQSZACIVSA-N 372.425 2.394 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)n1 257201129 AGKYBMBBWVEMLE-HNNXBMFYSA-N 352.442 2.270 0 40 FEAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccc4[nH]nnc4c3)C2)n1 257257709 KQUJBBKPFPOTTJ-OAHLLOKOSA-N 350.426 2.402 0 40 FEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)N2CC(=O)N2CCCC2)N1 257215710 CRHKLXQCWSOJED-QYZOEREBSA-N 355.482 2.483 0 40 FEAB Cc1cccc2nc(CNC(=O)C3CCN(CC(F)F)CC3)n(C)c12 280697887 AEQQOPJPDRFEGD-UHFFFAOYSA-N 350.413 2.475 0 40 FEAB COc1ccc(CC(=O)N2C[C@H](OC)C[C@H]2COc2cccnc2)cc1 1775957218 JGKUDGUWNQFQGT-QFBILLFUSA-N 356.422 2.328 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cn3c(C)cccc3n2)C1 1775957448 VMAJQHVKHNCNBC-CVEARBPZSA-N 352.442 2.142 0 40 FEAB C[C@H]1c2ccccc2CN1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 641840245 VAKMLCWKWYZBJB-HKUYNNGSSA-N 372.513 2.069 0 40 FEAB CCN1CCO[C@@H](CNC(=O)NCc2cnc(C)o2)[C@@H]1c1ccccc1 661308994 KUFUWFBICXNSCP-ROUUACIJSA-N 358.442 2.244 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3occc3C)cc2C1 656994157 LVOZRJDMULPLRE-UHFFFAOYSA-N 354.453 2.033 0 40 FEAB CCn1nc(C)c(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1C 585292586 KSWSXCUTDRVUBR-GUDVDZBRSA-N 363.889 2.494 0 40 FEAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)/C=C/c1cccnc1 585287851 GBMJIUPAPZRAAO-KJOHCHSBSA-N 357.454 2.160 0 40 FEAB COc1ccc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cc1O 66917172 YVACDYPNDZCGCY-DEYYWGMASA-N 350.459 2.151 0 40 FEAB CC(=O)NC1(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CCCCC1 61459281 YXDLWIPAANTIAK-UHFFFAOYSA-N 354.410 2.214 0 40 FEAB CCN(C[C@@H]1CCN(C(=O)c2c(O)nnc(C)c2C)C1)CC(F)(F)F 81447970 MQNPJJDCSMGNRH-LBPRGKRZSA-N 360.380 2.145 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12337817 ZPPCJGZVGHBGQL-INIZCTEOSA-N 368.441 2.461 0 40 FEAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)c1 12934677 PAFVKPGBUYVBOV-LLVKDONJSA-N 358.423 2.416 0 40 FEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC=CCC1 14158452 LNXYPMGZSLBKGD-CYBMUJFWSA-N 368.430 2.141 0 40 FEAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15334700 WBVBVFAPTKWSIN-RHSMWYFYSA-N 359.447 2.424 0 40 FEAB COc1cccc2c1OC[C@H](C(=O)Nc1ccc3c(c1)N(C)C(=O)CO3)C2 19590977 BNVGSTGSOMRCQE-CYBMUJFWSA-N 368.389 2.240 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCCN2C)C1 19705535 KUMKRBKKWQRJBP-CYBMUJFWSA-N 358.446 2.121 0 40 FEAB Cc1ccc2c(NC(=O)[C@H](c3ccc(F)cc3)N3CCOCC3)n[nH]c2n1 19717093 VAOGYXDBTNKTHD-INIZCTEOSA-N 369.400 2.417 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1 6550190 YKJHSKKWTXOQJZ-UHFFFAOYSA-N 361.354 2.303 0 40 FEAB O=C(c1ccncc1F)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850032 VROYZWMZUAQFBY-ZIAGYGMSSA-N 353.401 2.097 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn2)n1 1889224967 YNLYKNMSVDESTI-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23787035 MWYAUDJRXGYIKV-UHFFFAOYSA-N 370.424 2.484 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565547428 PMDZSFOZNOLWIZ-DYESRHJHSA-N 366.465 2.003 0 40 FEAB O=C1C[C@H]2[C@H](CCN2Cc2ncc(C(F)(F)F)[nH]2)N1Cc1cccnc1 1565552107 KMKKYWIGMWEDMF-STQMWFEESA-N 365.359 2.199 0 40 FEAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)c3cc(C4CC4)on3)C[C@H]12 1565555608 LFPRVUVBQULOKO-KHYOSLBOSA-N 356.426 2.401 0 40 FEAB O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccncc1 9001660 ZPSWZUGQORGNQU-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1ccc(COC)cc1 2055713383 IEEWXWDQOPQJIP-INIZCTEOSA-N 355.438 2.339 0 40 FEAB Cc1ncnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1F 1775976210 WFFOJBFJRBACNB-UHFFFAOYSA-N 370.837 2.088 0 40 FEAB Cc1cccc(CN2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC2)c1 40162168 TXWLDKMUSFIBGQ-UHFFFAOYSA-N 364.453 2.008 0 40 FEAB Cc1noc(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 40106810 QMODRGLKCMQPPB-STQMWFEESA-N 358.442 2.159 0 40 FEAB COc1ccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cn1 32873820 DLSHGCXGMXPVMZ-UHFFFAOYSA-N 366.421 2.123 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2ccccc2F)CCN1c1ccccc1F 78671057 ZDRYCTRYNCEKKG-CYBMUJFWSA-N 352.362 2.049 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(S)s2)c(C(N)=O)c1 78986551 KDSQGDKKZPVFKE-UHFFFAOYSA-N 370.481 2.055 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCC(C)C)CS[C@@H]21 2158412 GRQYWCLJNJRDJV-DIFFPNOSSA-N 350.440 2.046 0 40 FEAB biogenic O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 2730853 PZQQGEXEPDEQHJ-GEEKYZPCSA-N 357.797 2.252 0 40 FEAB O=C(NCc1nnc2ccccn12)c1ccccc1OC[C@H]1CCCO1 22459416 QMHIXOYWZYULLD-CQSZACIVSA-N 352.394 2.217 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3549092 IJKZNSBUZOPCSV-PIGZYNQJSA-N 351.834 2.268 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 47412832 GKXXKAVRQDEBDV-CVEARBPZSA-N 374.485 2.270 0 40 FEAB NC(=O)C1CCN(C(=O)CSc2nccc(-c3ccc(F)cc3)n2)CC1 4967953 ILSQDLADSHXPAG-UHFFFAOYSA-N 374.441 2.099 0 40 FEAB COc1ccc(CN2CCC(C(=O)NC(C)C)CC2)c(OC)c1OC 819241 LSKLUZFQWYSELU-UHFFFAOYSA-N 350.459 2.449 0 40 FEAB C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCCO2 42347064 LBPAQBNXNPZFRZ-CYBMUJFWSA-N 363.458 2.465 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2C)c1=O 6679083 MJSBCAFZXSOXRC-UHFFFAOYSA-N 361.398 2.331 0 40 FEAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 6822655 UCKZADNMASWBAC-NSHDSACASA-N 365.480 2.390 0 40 FEAB COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 979338 HQDYEBMYVAMMEL-UHFFFAOYSA-N 360.435 2.169 0 40 FEAB O=C1/C(=C/NCCCn2ccnc2)c2ccccc2C(=O)N1c1ccccn1 25702160 PTYCALZMAKPICA-NBVRZTHBSA-N 373.416 2.486 0 40 FEAB CN(C)c1ccc(CCCNC(=O)c2sccc2-n2cnnn2)cc1 58101862 LKTFRBDXBUQLPQ-UHFFFAOYSA-N 356.455 2.152 0 40 FEAB C[C@H](CN1CCOC1=O)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 58111943 DSYXKCOILWWAQG-KXMPLOMGSA-N 366.801 2.081 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2nccs2)CC1 12698527 RTASYDKMCCBLHW-AWEZNQCLSA-N 360.483 2.151 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)C1CCCCC1 48108264 RQSCDUHRZRVGNI-INIZCTEOSA-N 373.501 2.192 0 40 FEAB COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 48276282 GCKQAXZRFPZTNJ-GFCCVEGCSA-N 351.449 2.341 0 40 FEAB CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 3325837 FTPDQDYSDPQSIP-UHFFFAOYSA-N 371.824 2.001 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(OC(F)F)cc1 10946393 DHFBYZOZZYNKDD-UHFFFAOYSA-N 359.332 2.314 0 40 FEAB CC[C@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2374007 BPRPINMGYKXNTP-MRXNPFEDSA-N 365.389 2.087 0 40 FEAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 62615534 ZYVAOUSZOWSKHE-UHFFFAOYSA-N 357.410 2.368 0 40 FEAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCOCC1 27936192 MRFMMXSPGPGNJE-MRVPVSSYSA-N 370.169 2.393 0 40 FEAB CCSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 6184460 FEAVSBOYGMFKCM-UHFFFAOYSA-N 355.485 2.189 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc2c(c1)OCO2 9450518 CZSAKIZXSNSLOS-CQSZACIVSA-N 356.378 2.397 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(C)cc1C 65562647 KFJNADPQEZMGBK-ZIAGYGMSSA-N 356.513 2.282 0 40 FEAB Cc1cc(C(=O)NCCc2ccco2)cc(S(=O)(=O)N(C)C)c1C 14141361 KGHDWRBLHQZYHJ-UHFFFAOYSA-N 350.440 2.119 0 40 FEAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 306124654 BVUPKIIQCOLVGR-SJORKVTESA-N 353.470 2.029 0 40 FEAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC1 14197563 NIRYGCCAHKCVCX-UHFFFAOYSA-N 358.463 2.473 0 40 FEAB COC(=O)c1ccc2nnn(OCC(=O)N(c3ccccc3)C(C)C)c2c1 5474671 KHFGBBRHBVYPEI-UHFFFAOYSA-N 368.393 2.088 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 5473817 SUPRVBYHESBMGA-UHFFFAOYSA-N 367.361 2.470 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN1C(=O)c1cccs1 6558719 IXJJNDWXRRKJMJ-KBPBESRZSA-N 372.446 2.309 0 40 FEAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 4704157 FKHHGWTYOQALBP-KRWDZBQOSA-N 367.405 2.499 0 40 FEAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)cc1F 7057235 GQMFYXWOAUNNBN-VIFPVBQESA-N 373.315 2.385 0 40 FEAB COc1cc2ncn(CC(=O)Nc3ccccc3F)c(=O)c2cc1OC 7015428 GVHYOXCHLNQNIC-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB CNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)s1 7102652 DQFRMZAHCJKINX-UHFFFAOYSA-N 352.441 2.472 0 40 FEAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)cc1 7215514 VAKDYDZQGNZMFJ-UHFFFAOYSA-N 356.444 2.214 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306132271 LDHSKHYEMIABFR-VQIMIIECSA-N 366.417 2.082 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9364537 ZMOZJUGHXZSNLO-QRWLVFNGSA-N 367.405 2.240 0 40 FEAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)c(Cl)c1 7883136 WOBUWVGGEWWBFF-GFCCVEGCSA-N 371.821 2.138 0 40 FEAB Nc1nc(N)nc(COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 16699450 JJUBSNZPYDLMKH-UHFFFAOYSA-N 355.329 2.324 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1 20017624 YSVAEHXPYVZCKU-SECBINFHSA-N 350.362 2.104 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472658 MLBCFSRGFKOECU-ZDUSSCGKSA-N 352.369 2.371 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 26902251 ZJEUPBGJRURMNS-UHFFFAOYSA-N 358.419 2.251 0 40 FEAB COC(=O)c1ccc(Cn2cc(/C=C3/NC(=O)NC3=O)c3ccccc32)o1 409392866 OEXYHBZSOUSBBJ-RIYZIHGNSA-N 365.345 2.250 0 40 FEAB Cc1c(F)cccc1NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1 409005112 ZFXSOEIJVMIKGE-OAHLLOKOSA-N 359.357 2.105 0 40 FEAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 28833322 POLOYOVKLMXPGG-LJQANCHMSA-N 363.461 2.384 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306132339 LFYVTSVSBQIVIO-MRXNPFEDSA-N 354.406 2.487 0 40 FEAB Cn1nc(CNC(=O)c2ccno2)c2cc(C(=O)NC3CCCC3)sc21 306125549 CTTDQGQOVJLPMY-UHFFFAOYSA-N 373.438 2.225 0 40 FEAB COC(=O)[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1cccs1 509154071 HQRMSMCIJQYMMS-OAHLLOKOSA-N 356.407 2.032 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccnc3)CC2)cc1 123137753 LXOZSTRXQHSEFZ-UHFFFAOYSA-N 374.466 2.365 0 40 FEAB COc1ccccc1CC(=O)NCCNC(=O)c1cc2ccccc2n1C 32074016 QDFZMYQYDZUEBF-UHFFFAOYSA-N 365.433 2.276 0 40 FEAB CS(=O)(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1 32771088 UXJBJIKYJOYCED-UHFFFAOYSA-N 370.902 2.302 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1F 72241550 SPTSVDGJFKVJMX-ZWKOTPCHSA-N 360.360 2.180 0 40 FEAB CC(C)(C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224343156 HEPGQGRQWBMAAP-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c1 195528637 LHMBBLYSXFOQBR-CYFNAFFESA-N 359.422 2.046 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)c1 47383424 GXYWDOSCOVJFDB-SFHVURJKSA-N 373.434 2.159 0 40 FEAB COC(=O)c1cn(C(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc12 222601383 LTGZMKRLQNHYEW-UHFFFAOYSA-N 372.402 2.488 0 40 FEAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1Cc1ccoc1 96109812 CMENEZAGRSRSCR-OAHLLOKOSA-N 358.442 2.192 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(c4ncc(C)cn4)C3)C2=O)c1 96159802 NBWSJDBBCHGKQH-FQEVSTJZSA-N 352.438 2.423 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1 96050684 PRBFGWRIKMQRKI-NRFANRHFSA-N 365.433 2.355 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96158865 XDPXPXGDDTZJQW-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB COc1ncccc1CN1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96107642 HHFAJLQMOLDOFN-ICSRJNTNSA-N 355.438 2.435 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3ccccc3OC)C2)c1F 244933345 CMSJYTZPGPCEQV-CQSZACIVSA-N 359.401 2.409 0 40 FEAB COc1cc(N2CC3(C[C@H](CCOc4cncc(C)n4)CCO3)C2)ncn1 253601059 IGNFCFCRVWDKKT-OAHLLOKOSA-N 371.441 2.038 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 257265561 LZEKURCKKYOJTG-AEFFLSMTSA-N 363.889 2.414 0 40 FEAB COc1ccc2nnc(CNC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)n2n1 253472807 PLEWUCYXVLZQDM-UHFFFAOYSA-N 366.356 2.197 0 40 FEAB Cc1cc(C2(NC(=O)Nc3cccc(-n4ccnn4)c3)CCOCC2)on1 626447890 HOJYYDBYPWCQQD-UHFFFAOYSA-N 368.397 2.391 0 40 FEAB C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 634023606 YYEUTQOCLQGICG-KEYYUXOJSA-N 356.426 2.208 0 40 FEAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cccc3ccncc23)C1 648897155 NXMBSSXXJRTLLM-YJBOKZPZSA-N 353.422 2.087 0 40 FEAB CC1(C)C[C@]1(C(=O)O)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 663064520 ZLNXQOSEPKANTR-HXUWFJFHSA-N 367.405 2.451 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@H]1c1cccc(O)c1 95115996 QEVSHLYMMKEMJB-SFHVURJKSA-N 371.462 2.464 0 40 FEAB Cc1cc(NC(=O)c2ccc(-n3cncn3)nn2)ccc1Br 96097873 BOUSQLOIPWGDGF-UHFFFAOYSA-N 359.187 2.381 0 40 FEAB O=C(CCCn1cnc2ccccc21)N1CCC[C@H]1CN1CCOCC1 608150356 DNCORNYJQPXJSN-KRWDZBQOSA-N 356.470 2.140 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c(C)c1 24833667 OGGHESHRLOLIOR-HNNXBMFYSA-N 372.494 2.305 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 299888439 JRNZEGAFLBTZDT-CBBFHKQASA-N 372.502 2.238 0 40 FEAB Cc1ccc(OC[C@]2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)cc1 585278019 ZWVOIWYXOSZRHN-FQEVSTJZSA-N 353.422 2.318 0 40 FEAB COCc1cccc(-c2cnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1 585111227 KJTWKWUPLICOBH-KRWDZBQOSA-N 355.438 2.118 0 40 FEAB Cc1cccc(CN2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)c1 585103106 QIIFWWIATPQBRY-QGZVFWFLSA-N 364.511 2.058 0 40 FEAB CO[C@H]1CCN(C(=O)COc2ncccn2)C[C@H]1Cc1cccc(F)c1 585277948 YATLUOSPOHKXMF-WBVHZDCISA-N 359.401 2.101 0 40 FEAB O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@](O)(COc2ccccc2)C1 585275491 FEYFHTUVZSXBQQ-OAHLLOKOSA-N 355.316 2.085 0 40 FEAB O=S(=O)(NCC[C@H]1CCOC12CN(CC1CCC1)C2)c1ccccc1 585103538 XQBQSUKEJXGPFD-KRWDZBQOSA-N 364.511 2.246 0 40 FEAB COC1(CC(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)CCC1 585108768 BELQKDAUNIOQDB-LNLFQRSKSA-N 360.454 2.316 0 40 FEAB Cn1cnc(C(=O)N2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)n1 585101521 OGVPXMKMAGSJLO-UHFFFAOYSA-N 373.501 2.240 0 40 FEAB C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCNC1=O 56174688 MGXAAJMQORTJMK-ZDUSSCGKSA-N 352.394 2.291 0 40 FEAB Cc1noc(C)c1CCC(=O)NC1CN(c2ncnc3ccsc23)C1 1776009299 CKEXTDDHNWTZEF-UHFFFAOYSA-N 357.439 2.234 0 40 FEAB Cc1cccnc1CN1CCC2(CC1)CN(S(C)(=O)=O)C(C)(C)C2 1615190755 CMJUTAVEKOMSCW-UHFFFAOYSA-N 351.516 2.416 0 40 FEAB CCn1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1C 12122053 RAEISJMHLGVYLQ-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB Cc1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)nc(N2CCCCC2)n1 19718857 BTCBCWVCCBDEOM-CYBMUJFWSA-N 370.501 2.487 0 40 FEAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cn1 19719102 OGHVFVGPHVTICD-SFHVURJKSA-N 355.438 2.202 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)n1 244969107 GYPLFXYHLAIPDI-CQSZACIVSA-N 364.833 2.146 0 40 FEAB Cc1nccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1207163745 IRWGBCKKLONZRL-UHFFFAOYSA-N 352.438 2.183 0 40 FEAB COc1cccc(N2CCN(c3cc(-n4cc(C)cn4)ncn3)CC2)c1 1888906231 MBTDGQKHAVBSTK-UHFFFAOYSA-N 350.426 2.306 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 21559299 ASEAHELUTPASFH-DNVCBOLYSA-N 358.394 2.014 0 40 FEAB COc1cc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)on1 1146935112 ORFLZLTVVQDXDE-UHFFFAOYSA-N 356.357 2.453 0 40 FEAB COc1cccc(Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)c1 6840279 AHQWEYJLGMYOLF-UHFFFAOYSA-N 352.390 2.124 0 40 FEAB O=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccn1 9001141 JIDIFBUPUJBJHQ-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB COc1ccccc1NC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708588 OXBYJZHSDFLJPL-UHFFFAOYSA-N 365.389 2.108 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccoc2)C1 2055751151 NARHCMOXJBYYLU-FQEVSTJZSA-N 371.437 2.129 0 40 FEAB O=C(NCc1noc2c1C[C@@H](Nc1ncccn1)CC2)C1CC(F)(F)C1 2055731764 SVKRPTRYRWSSHW-NSHDSACASA-N 363.368 2.096 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2ccncc2)CC1 2055713673 VLPGMSOQBGFJIT-UHFFFAOYSA-N 365.437 2.179 0 40 FEAB CCc1nccn1CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1 2086887000 OJCVRSJMOQBDDP-UHFFFAOYSA-N 351.336 2.038 0 40 FEAB CC(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3cccnc3)cc2C1 38678156 IAEMMYTWJAPRFU-UHFFFAOYSA-N 359.451 2.423 0 40 FEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617730 QRLWEMLUOASBKM-HOCLYGCPSA-N 360.483 2.068 0 40 FEAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2cc(F)ccc2F)cc1 77184806 OPNIZRFRINXRIB-QGZVFWFLSA-N 371.405 2.245 0 40 FEAB O=c1occ(CN2CCOCC2)c(O)c1CN1CC[C@H](c2ccccc2)C1 79482283 SIZJQKWBRTWAAN-KRWDZBQOSA-N 370.449 2.167 0 40 FEAB CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 12364439 BLKDGRBGYUMAHZ-UHFFFAOYSA-N 353.378 2.168 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96368980 MOWKSWNWTIIINQ-OAHLLOKOSA-N 373.430 2.162 0 40 FEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 40088728 VMNGCHFMIRLASN-YVEFUNNKSA-N 351.406 2.310 0 40 FEAB C[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc2c(c1)OCO2 30971515 GRXDXEMHZDQKLC-SNVBAGLBSA-N 373.390 2.171 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)CCNC(=O)c2cccc(C)c2)cc1 31531639 BSNALZKASDUGTB-UHFFFAOYSA-N 367.449 2.133 0 40 FEAB CCOC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3c(OC)cccc23)CC1 20739506 BWZFKNABMTULKR-INIZCTEOSA-N 361.398 2.076 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1F 32234324 GWFCEYXJYWZXNZ-UHFFFAOYSA-N 358.417 2.393 0 40 FEAB O=c1c(NCc2ccccc2F)c(N2CCN(c3ccccc3)CC2)c1=O 101690601 KXEHSEYIQOOGQG-UHFFFAOYSA-N 365.408 2.360 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 32741210 WIPNNEZVUCDEFL-GOSISDBHSA-N 366.417 2.047 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OC 32908498 ZGNRIIPKFGMDIF-INIZCTEOSA-N 374.462 2.363 0 40 FEAB C[C@@H](C(=O)NN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2774899 GYDWVKXWJKPVQD-QMMMGPOBSA-N 366.771 2.357 0 40 FEAB CCNc1nc(NCC)nc(Nc2nc(C)c(C(=O)OCC)s2)n1 658086 BQBLVOJWSSOMDZ-UHFFFAOYSA-N 351.436 2.420 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 23190473 MMWAXZFSOQLHIA-INIZCTEOSA-N 359.470 2.356 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 61721011 JURMDRYNTXJTMW-INIZCTEOSA-N 358.486 2.356 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccccn2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940664 JORYNPAJEDESSM-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 23679979 UXKDEXKBYGILDQ-UHFFFAOYSA-N 358.463 2.048 0 40 FEAB CCCC(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12545189 FTIQMZOVTAWFEV-UHFFFAOYSA-N 357.376 2.270 0 40 FEAB COc1ccc([C@H](O)C2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 24763980 VHYPITBWNUAGTP-IBGZPJMESA-N 359.426 2.376 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cc12 25163926 DKYNJLLGBGUBOH-GFCCVEGCSA-N 365.393 2.029 0 40 FEAB O=C1N[C@H](C(=O)NOCc2ccccc2)CS[C@H]1Cc1ccccc1F 25286949 CRURZDPZHKYCQS-IRXDYDNUSA-N 374.437 2.216 0 40 FEAB NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 107331679 OSNUMVVFXXVDSU-CQDKDKBSSA-N 364.829 2.142 0 40 FEAB C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)NC1CC1 35380623 QCHHCPLOQLMCDC-BYPYZUCNSA-N 352.605 2.448 0 40 FEAB C[C@]1(NC(=O)Cc2csc(-c3ccsc3)n2)CCS(=O)(=O)C1 57973366 SIPXIDJXQQJYAE-AWEZNQCLSA-N 356.494 2.108 0 40 FEAB Cc1cc(NC(=O)NC[C@@H]2Cc3ccccc3O2)ccc1-n1cnnn1 58038372 OSTIIADQRWQPDZ-HNNXBMFYSA-N 350.382 2.096 0 40 FEAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12740000 YKCRJSDHNKNUHN-GFCCVEGCSA-N 369.259 2.345 0 40 FEAB Cc1nc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)sc1C 20734820 VNTMHUKFCHZRQB-UHFFFAOYSA-N 371.470 2.361 0 40 FEAB O=C(CN1CCC(NC(=O)c2cccs2)CC1)NCc1ccccc1 58223113 ZUFDEMXWAAMRJU-UHFFFAOYSA-N 357.479 2.259 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 58218948 HEVWUQIYDDSZAK-INIZCTEOSA-N 355.438 2.233 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CN2CCCC2=O)cc1 25450251 UIILLXJDVIMROD-KRWDZBQOSA-N 366.417 2.379 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 36264228 PEUZZCRBKPZJMP-BFHYXJOUSA-N 354.472 2.013 0 40 FEAB CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369812 WKPAABJFLNBKSC-UHFFFAOYSA-N 369.425 2.425 0 40 FEAB biogenic Cc1cccc(-c2nnc(SCCn3nc4ccccn4c3=O)n2C)c1 36392786 SLSVEFAETPZBNL-UHFFFAOYSA-N 366.450 2.392 0 40 FEAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)C1 22519179 SRNKUBUQCDHAFL-SFHVURJKSA-N 359.514 2.371 0 40 FEAB CC(C)n1ncc2cc(C(=O)N3CCN(c4nccs4)CC3)cnc21 11188142 JJYITTDOXBQGAV-UHFFFAOYSA-N 356.455 2.431 0 40 FEAB O=C(NCCc1cccc(Cl)c1)c1ccccc1CN1C(=O)CNC1=O 11515492 JWKWFPFJJMIOQF-UHFFFAOYSA-N 371.824 2.364 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)Oc1ccc(-c2nnco2)cc1 29469184 DYFGDDZGGQOYNC-UHFFFAOYSA-N 365.345 2.458 0 40 FEAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NCC(=O)OCc1ccccc1 29554649 FSGIEGVHBLIBKW-CJTWTEFWSA-N 366.417 2.064 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccccc2)CC1 29829721 NZCFNKKMNTYPTO-AWEZNQCLSA-N 358.467 2.318 0 40 FEAB O=C(NCc1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCCO2 8878290 TXPSCOLZHKISIM-UHFFFAOYSA-N 356.378 2.228 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572783 DQHVGKHKMKJZNQ-JJNNYRRPSA-N 373.428 2.001 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2NC(Nc3cccc(C)c3)=NC2=O)cc1 13689325 TWJYEQJOBKFICV-INIZCTEOSA-N 352.394 2.299 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCc4ccccc4C3)ccc21 14183978 QMZHWFLABIDTIE-UHFFFAOYSA-N 356.447 2.207 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)CO[C@H]1CCCc2ccccc21 14254153 CSBRXWABBOBIAP-WBVHZDCISA-N 358.438 2.306 0 40 FEAB CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 4620485 QVSJPVOPNKMDAA-CADBVGFASA-N 358.397 2.385 0 40 FEAB CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NC)c2)cc1 6601750 YCTGXIXDQBGYKB-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)n2ccsc2n1 6640162 JNORPEYWUQMGLL-UHFFFAOYSA-N 374.441 2.033 0 40 FEAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 4731949 DGQXEEXUSJMIPW-LLVKDONJSA-N 360.439 2.491 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(F)cc1 5615763 XSALNMPOEWPDFR-UHFFFAOYSA-N 366.414 2.266 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NCC(=O)OCc1ccccc1 15516365 QSZMREBHJYUWPX-UHFFFAOYSA-N 350.378 2.049 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1Cc2ccccc2O1 9217398 QCFKUYWJXKYOGP-GOSISDBHSA-N 372.446 2.413 0 40 FEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2cc(C)cc(C)c2)n1 7440009 FKEJVEBMGOXVKI-UHFFFAOYSA-N 362.407 2.271 0 40 FEAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCNC2=O)o1 69330936 BUDFPENIMAFJDY-MRXNPFEDSA-N 364.405 2.449 0 40 FEAB CN1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)N2CCCC2)C1 306128163 GSOWVZZFIBRYOF-KRWDZBQOSA-N 350.466 2.413 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[C@H](C)[S@](C)=O 84622382 ZUKLZDOVZFGRCN-YPPWHJBPSA-N 368.499 2.211 0 40 FEAB CN1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1ccnnc1)C2 306138949 SLJULFWUYDYUJY-KRWDZBQOSA-N 358.486 2.220 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9900034 DCPJUJZSSMXWAE-UHFFFAOYSA-N 363.417 2.491 0 40 FEAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89573860 UKBVRZMVHKMLKK-AZCLRUCKSA-N 374.504 2.396 0 40 FEAB O=C(Cc1cccs1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 72330854 NQYVAJGCHBBEKY-UHFFFAOYSA-N 362.426 2.322 0 40 FEAB C[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79413117 PKRUQJGLCFNGSD-DOTOQJQBSA-N 359.470 2.373 0 40 FEAB COC(=O)c1ccc(N(C)C)c(NC(=O)CCc2nc3ncccc3[nH]2)c1 79464503 PTQKVDNNOJWMET-UHFFFAOYSA-N 367.409 2.382 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 563455642 ZCWJTKGOMOVEFQ-ZOCIIQOWSA-N 374.481 2.263 0 40 FEAB Cc1cccc(CN2C[C@@H](c3noc(-c4ccc[nH]c4=O)n3)CC2=O)c1 44214049 BSSKRTOHAUJPMT-AWEZNQCLSA-N 350.378 2.249 0 40 FEAB O=C(Nc1cc(-c2cccc(F)c2)on1)N1CCC[C@H]1CN1CCOCC1 571508570 JUDZXVSSECVLHW-INIZCTEOSA-N 374.416 2.809 0 40 FEAB CC(C)C[C@H]1COCCN1C(=O)NCc1cc2ccccc2n(C)c1=O 571856189 ARMKVJMXCUAKPM-KRWDZBQOSA-N 357.454 2.495 0 40 FEAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 223683148 LOGAOTUAHVBLAW-DLBZAZTESA-N 358.467 2.264 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(C)c(F)c2)n1 224181460 MXXOEIYOIQTPEI-UHFFFAOYSA-N 359.405 2.391 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1 96050683 PRBFGWRIKMQRKI-OAQYLSRUSA-N 365.433 2.355 0 40 FEAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ccccc4n3C)[C@H](F)C2)CC1 96112191 CHCURQNMXGOURQ-APWZRJJASA-N 374.460 2.123 0 40 FEAB biogenic,in-vitro COc1ccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)cc1 247919910 XHVFBHSSGWWOQO-PMACEKPBSA-N 357.454 2.342 0 40 FEAB CN(C)c1ccc(S(=O)(=O)Nc2ccc(Cn3ccnc3)cc2)cn1 585082657 AFXSQJBQBBAFNM-UHFFFAOYSA-N 357.439 2.193 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)on1 257330760 XPUDHTNYKADVBZ-HNNXBMFYSA-N 358.442 2.483 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)CCc2ccccc2C1 85560454 TYGBYYVNLGGHAC-OAQYLSRUSA-N 356.466 2.029 0 40 FEAB Cc1cnc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cn1 25240783 RRSBRSDCVLAVJN-UHFFFAOYSA-N 350.378 2.129 0 40 FEAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(C)=O)C3)o2)cc1 257299068 ROQLYCGBVGDBCO-INIZCTEOSA-N 371.437 2.116 0 40 FEAB CCOc1ccc(CC(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)cc1 85436760 ZLAARCUGLMMOLQ-GOSISDBHSA-N 358.438 2.099 0 40 FEAB COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C(C)=O)cc1 257316394 VFKHBTCOTIJMLX-ICSRJNTNSA-N 360.454 2.466 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260793478 JZTPYOHSEYYQLA-HEHGZKQESA-N 368.524 2.334 0 40 FEAB COc1cccc(N(CCCC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260903699 PYBQYAIYMBPFAZ-CQSZACIVSA-N 356.488 2.402 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 607889085 UNTFANCHSQEJEY-AWEZNQCLSA-N 358.486 2.408 0 40 FEAB COc1cccnc1C(=O)N(C)CCN(C)C(=O)c1cc2ncccc2o1 1615610370 AQTSELMLYQPPNR-UHFFFAOYSA-N 368.393 2.076 0 40 FEAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc1N1CCOCC1 647728215 MNWQXLBVJGKWNA-GOSISDBHSA-N 368.433 2.257 0 40 FEAB Cc1ccc(CC2CN(C(=O)NCc3ccccc3S(N)(=O)=O)C2)cc1 664905770 HQQVACKBUDVVEG-UHFFFAOYSA-N 373.478 2.027 0 40 FEAB CN1CCc2cc([C@@H](O)CNC(=O)Nc3ccc4c(c3)OCO4)ccc21 96363085 INIOQDWIJNXAMO-INIZCTEOSA-N 355.394 2.263 0 40 FEAB O=C(CCc1ccccc1Br)NCCOCCn1cccn1 575620507 TWSACAHGJSULMT-UHFFFAOYSA-N 366.259 2.411 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ncc(C(=O)O)cn2)s1 585124143 SDYHEPAXCASWNM-UHFFFAOYSA-N 355.441 2.012 0 40 FEAB CN(C)[C@H]1[C@H](NC(=O)c2cccc(F)c2)C[C@@H](Oc2ccccc2)[C@@H]1O 585261603 JBAQFQIKPIVOCQ-YRXWBPOGSA-N 358.413 2.067 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c1 585107705 DLEDCDBZMIUMHV-PMACEKPBSA-N 351.450 2.424 0 40 FEAB O=C(NC[C@@H]1CCOC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48183127 ZRPICOBRKFFHKL-KBPBESRZSA-N 370.371 2.207 0 40 FEAB CCS(=O)(=O)N[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988463 GBKBNVONRHMKRK-QWRGUYRKSA-N 360.361 2.141 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160581 ZSPZCPDPDKUTFJ-HXUWFJFHSA-N 372.444 2.266 0 40 FEAB Cc1cncc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615159206 OTKOIVWCSUGRHU-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)cc1 12085337 NAARWHSQVGWYJT-INIZCTEOSA-N 365.441 2.051 0 40 FEAB CCN(CC)C(=O)Cn1nc2c3c(C)c(C)sc3nc(C3CC3)n2c1=O 12182007 RUTDTCYXAWUJCE-UHFFFAOYSA-N 373.482 2.468 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cscn3)CC1)O2 12225702 HFNNAVPVHGPESD-UHFFFAOYSA-N 357.435 2.249 0 40 FEAB CCN1CCC[C@@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 19527239 GFMVUCUSHZBMLJ-QGZVFWFLSA-N 367.497 2.377 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1 19552072 AEPBIUCAEWXLDE-DYVFJYSZSA-N 358.438 2.378 0 40 FEAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC(C)C)CC2)n1 19697329 VJKLQXROXQSAMO-OAHLLOKOSA-N 373.501 2.216 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC 6736236 QZBQNPNTEXDLRV-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOCc1ccccc1 224317603 QJVJIXFGJYGUSP-UHFFFAOYSA-N 366.417 2.396 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)CN(C(C)C)Cc1cncn12 1614948304 UQUOAHYKTGIAKW-IBGZPJMESA-N 357.458 2.343 0 40 FEAB CCOc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1 4497751 OXCSHVXOMWWYCR-GFCCVEGCSA-N 366.464 2.231 0 40 FEAB Cc1nc2sccn2c(=O)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 13707947 UOEIRJFVGYSLHS-SNVBAGLBSA-N 373.390 2.199 0 40 FEAB CCOc1ccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc2c1 1775968876 OISDYNLUPQHLMB-QOCHGBHMSA-N 351.362 2.262 0 40 FEAB Cc1ccc(=O)n(CC2CN(C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)C2)n1 1775967288 KYOSOAJIZWIUHM-MRXNPFEDSA-N 355.438 2.094 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1 575414182 JGXBNRHZCJRKSN-UHFFFAOYSA-N 362.451 2.234 0 40 FEAB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCN1C(=O)c1ccco1 40052065 CVEZDBBNFSDRGD-AWEZNQCLSA-N 351.366 2.104 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)n1 40106336 XYKNKAFRQULAMW-CYBMUJFWSA-N 365.455 2.204 0 40 FEAB CC(C)(CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)N1CCOCC1 40104795 YIGRBUHNFBAYTQ-UHFFFAOYSA-N 374.485 2.155 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cccc2c1 51161362 UDAAAKOUCMSNAA-HNNXBMFYSA-N 373.478 2.223 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccn1 32912345 JBAWTYFAWIQDQV-UHFFFAOYSA-N 371.365 2.088 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)NCc1ccc2c(c1)OCCO2 21911209 ZBJHCICQZBUUBV-UHFFFAOYSA-N 354.406 2.203 0 40 FEAB O=C(CN1CCCCCCC1=O)NCCc1cc(F)cc2c1OCOC2 52901967 FDSKCPLXMSVJSN-UHFFFAOYSA-N 364.417 2.144 0 40 FEAB O=C(CNc1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O 22017697 IANRUANIJRCTJQ-UHFFFAOYSA-N 350.806 2.038 0 40 FEAB Cc1c(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cnn1C 2793262 UQXJXLPATBSBLP-UHFFFAOYSA-N 365.846 2.428 0 40 FEAB Cc1cc(C)n2nc(SCCn3cnc4ccccc4c3=O)nc2n1 78814665 OFHFNVFETNIGII-UHFFFAOYSA-N 352.423 2.243 0 40 FEAB C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 103426346 LALSKNZIEFIGLM-AESZEHBQSA-N 368.481 2.296 0 40 FEAB O=S1(=O)CC[C@@H](Cc2nnc(SC[C@H]3CC3(Cl)Cl)o2)C1 22327637 ZOLHRFLKWJPURD-JGVFFNPUSA-N 357.284 2.333 0 40 FEAB CCn1c(=O)n(CCC(=O)Nc2ccc(N(C)C)nc2)c2ccccc21 22420990 WJPJEBHZJAGTMG-UHFFFAOYSA-N 353.426 2.313 0 40 FEAB O=C(CN1CCC(O)(c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 4967618 APUQOAGHUVTDEZ-UHFFFAOYSA-N 368.433 2.380 0 40 FEAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 6528514 JJRMCSMAPNQKME-MXROCRMESA-N 367.317 2.406 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3cccnc3)=NC2=N1 940738 CTDSFWAHCYIJJK-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB Cc1csc(N2CCN(C(=O)NCCCn3nc(C)cc3C)CC2)n1 43098947 FRORHMMIPAQIFW-UHFFFAOYSA-N 362.503 2.187 0 40 FEAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCCC1=CCCCC1 9743528 XURRWOPPICRDNG-CQSZACIVSA-N 369.425 2.214 0 40 FEAB Cc1cc(SC[C@@H](NC(=O)CCC(=O)O)C(=O)O)c2ccccc2n1 12526589 GECLDGPLUQRBHM-CYBMUJFWSA-N 362.407 2.070 0 40 FEAB Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 25295452 RRPLXHMHXDRIBX-GFCCVEGCSA-N 368.397 2.264 0 40 FEAB CCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2)cc1 3266284 YYDUMCYPCUKWMM-UHFFFAOYSA-N 355.390 2.170 0 40 FEAB CC(C)(C)NC(=O)CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 12615415 KKYJMUHEKPCFBW-UHFFFAOYSA-N 354.834 2.075 0 40 FEAB O=S(=O)(NC[C@H]1CCCCN1)c1ccc(F)cc1Br 44492800 AEGQIYXVFOMJGU-SNVBAGLBSA-N 351.241 2.009 0 40 FEAB CN(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)ccn1 58200853 ANOFXWPJHBWXRI-GOSISDBHSA-N 366.465 2.111 0 40 FEAB Cc1ccc2nc(CN3CCN(C(=O)C4CCCCC4)CC3)cc(=O)n2c1 58217513 IUJZDMWXHOWIDG-UHFFFAOYSA-N 368.481 2.227 0 40 FEAB COC(=O)[C@H](C)CN(Cc1ccccc1)S(=O)(=O)c1c(C)noc1C 58282249 CHDGPVCGBNYNCV-GFCCVEGCSA-N 366.439 2.291 0 40 FEAB O=C([C@@H]1CN(Cc2cccc(F)c2)c2ccccc2O1)N1CCOCC1 58289545 HLZMOAJCEHSREP-IBGZPJMESA-N 356.397 2.452 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108531576 LSBWIEFGXBOVRK-UHFFFAOYSA-N 353.470 2.138 0 40 FEAB COc1cc(CNS(=O)(=O)N2CCC[C@@H](C)C2)ccc1OC(F)F 27960060 LUSALITZWJWCAH-LLVKDONJSA-N 364.414 2.363 0 40 FEAB COc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)cc(OC)c1OC 10512042 KPLFKQSWOWKDAT-UHFFFAOYSA-N 365.407 2.368 0 40 FEAB CCn1nccc1-c1cc(C(=O)OC)c2c(=O)[nH]c(=S)n(CC)c2n1 36617269 KMFSEXFPRAZWCI-UHFFFAOYSA-N 359.411 2.144 0 40 FEAB Cc1nnc(O)c2c1[C@H](c1ccc(Cl)cc1Cl)n1nnnc1N2 10298549 KLYKFGWCITWTGW-NSHDSACASA-N 350.169 2.479 0 40 FEAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 12816395 PXTWAPIOAPEZHV-UHFFFAOYSA-N 351.362 2.197 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207744 RJISWIGPJRBNID-UHFFFAOYSA-N 356.488 2.273 0 40 FEAB CN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 13068905 NFUNNUBDFNESPX-UHFFFAOYSA-N 361.392 2.194 0 40 FEAB Cc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1N 9883975 OESVUYBPLBXQJC-SFHVURJKSA-N 354.406 2.334 0 40 FEAB COc1ccc(C)cc1-n1nnnc1Sc1nnnn1-c1ccccc1 6084439 LOALDMBXYJXPRC-UHFFFAOYSA-N 366.410 2.106 0 40 FEAB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 5033723 QHRJHMTTXMUUOZ-UHFFFAOYSA-N 353.422 2.373 0 40 FEAB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1cccs1 4476432 LCDIKTJADGAZJC-UHFFFAOYSA-N 350.421 2.034 0 40 FEAB Cc1cc(C)c(C(N)=O)c(NC[C@@H](c2cccs2)N2CCOCC2)n1 14112811 ABDARHHOEAYRJB-AWEZNQCLSA-N 360.483 2.344 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 14261297 RHWZSFSNQKRYSV-CYBMUJFWSA-N 359.426 2.127 0 40 FEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCC1CCOCC1 95479585 DZNHHPNILOBTMR-OAHLLOKOSA-N 363.849 2.043 0 40 FEAB Cc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C=O)CC4)nc3C2)cc1 4777167 KNWNCFJQQJQHPS-KRWDZBQOSA-N 364.449 2.285 0 40 FEAB O=S1(=O)C[C@@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 6719308 JGYQYBHOWKHPDR-WPRPVWTQSA-N 370.805 2.219 0 40 FEAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(C)on2)cc1 67198527 DJEOXYDMBHEDCC-UHFFFAOYSA-N 354.366 2.162 0 40 FEAB Cc1cccn2c(=O)cc(COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)nc12 7041776 PYLFIVFSUOVWQH-YIONKMFJSA-N 354.406 2.442 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(Br)ccc1OC 7376488 LKVZHAWVIUCCMM-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CC1 7618078 FNRCSMMEQJDXBQ-UHFFFAOYSA-N 360.439 2.313 0 40 FEAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCc2ccccc21 7738057 KTVVEYWTEXATKS-ACJLOTCBSA-N 353.374 2.347 0 40 FEAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCO2 9512762 ZWTNKWMJXFKEJR-LLVKDONJSA-N 371.418 2.107 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 20902750 BIRSSCNBCPRWGA-OAHLLOKOSA-N 357.410 2.471 0 40 FEAB CCCCn1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8628254 LORAXKJAKZQOEB-UHFFFAOYSA-N 365.437 2.462 0 40 FEAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 89326613 DMVLAYXURLSFME-VIFPVBQESA-N 350.362 2.145 0 40 FEAB COC(=O)c1cccc2[nH]/c(=N\C(=O)c3ccc(C(F)(F)F)nc3)[nH]c12 89406982 DTFXCGOGTJFRCA-UHFFFAOYSA-N 364.283 2.438 0 40 FEAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)c1ccsc1 547866360 HPSMOYKOGSPRBW-AWEZNQCLSA-N 353.421 2.273 0 40 FEAB CN(C)CCCN[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O 56964202 LDFFDURZVRDIRK-CYBMUJFWSA-N 362.257 2.317 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cn1 72403274 HLYPZPOBKYRSIU-UHFFFAOYSA-N 370.434 2.378 0 40 FEAB CCn1ncc(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)c1C 35655584 QUESTZFVISYRJF-UHFFFAOYSA-N 350.329 2.271 0 40 FEAB O=C(N1CCN(c2ccccn2)CC1)C1(c2ccccc2)CCOCC1 38488778 OZRFCFJVPSVIOH-UHFFFAOYSA-N 351.450 2.479 0 40 FEAB COCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 72338437 NIFIZEDCDXQXBW-UHFFFAOYSA-N 369.425 2.468 0 40 FEAB COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 71863838 MSEZMIUXSKNYKZ-GFCCVEGCSA-N 358.435 2.406 0 40 FEAB CCc1nnc2ccc(SCC(=O)Nc3ccc(C(=O)OC)cc3)nn12 44920535 RVUQGZNDXGVBJA-UHFFFAOYSA-N 371.422 2.204 0 40 FEAB C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768587 CKUJMBADEHONAC-HNNXBMFYSA-N 374.868 2.408 0 40 FEAB O=S(=O)(c1cccs1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216882 VRHIHZRSOFDMGN-INIZCTEOSA-N 364.496 2.219 0 40 FEAB COc1ccc2[nH]c(CO[C@H]3CN(Cc4nccn4C)C[C@H]3F)nc2c1 96112272 FELIIWBEOOHFKO-CJNGLKHVSA-N 359.405 2.044 0 40 FEAB biogenic,in-vitro O=C(N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1)c1ccc2nsnc2c1 230150592 FKPMNAHJIRCYOG-BZNIZROVSA-N 365.418 2.021 0 40 FEAB Cc1ccc2c(ccn2CCNC(=O)[C@H](c2ccccc2)n2cnnn2)c1 95473851 GWYAGWFIELTDDY-IBGZPJMESA-N 360.421 2.342 0 40 FEAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)C(C)(C)C 96520199 DFXHIKFYLOSYII-POYBYMJQSA-N 354.637 2.156 0 40 FEAB Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(C)CC1)CO2 96220833 OGOKGFNDNUULIT-MRXNPFEDSA-N 363.527 2.068 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(O)cc2)CC1 90623933 FHRPDBXVHGLKSH-UHFFFAOYSA-N 373.497 2.161 0 40 FEAB CN(C)C(=O)COCC[C@H]1CCOC12CN(Cc1ccccc1Cl)C2 247948096 BIJRWJBWGQWFHU-INIZCTEOSA-N 366.889 2.426 0 40 FEAB CC[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1nc(C)cs1 249077699 BPWKLFYJAKJURC-KBPBESRZSA-N 354.520 2.389 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247902778 WFGGEIYKIDHRDN-SFHVURJKSA-N 362.470 2.267 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 250959435 UIGKKFMCTRZNIE-ZIBATOQPSA-N 358.410 2.036 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257199905 ABFDOSFAQUJTDK-AWEZNQCLSA-N 360.435 2.271 0 40 FEAB COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)cc1OC 85436495 OHLDGUJTEUYYSI-OAHLLOKOSA-N 351.424 2.106 0 40 FEAB CCOC[C@@H]1CN(C(=O)NCC2(SC)CC2)C[C@H]1c1cnn(C)c1 596579853 FDQYNIFGGZIUKT-GJZGRUSLSA-N 352.504 2.077 0 40 FEAB C[C@@H]1CN(C(=O)c2c[nH]c3nccc-3c2)C[C@H](c2nc(C3CC3)no2)O1 623173401 ASJSMVOZGLDQDK-QMTHXVAHSA-N 353.382 2.377 0 40 FEAB CC(C)n1nccc1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O 585182027 JMUOBJQIAVBFKJ-CQSZACIVSA-N 351.476 2.318 0 40 FEAB CO[C@@H]1CN(C(=O)c2cnc(C)nc2O)CC[C@@H]1Cc1cccc(F)c1 585279799 PNLBWTFVBPJIRO-RHSMWYFYSA-N 359.401 2.350 0 40 FEAB Cc1noc([C@H]2CCC3(CCN(C(=O)CCc4cncnc4)CC3)O2)n1 585113507 UTGKVKUIGRSXRT-OAHLLOKOSA-N 357.414 2.014 0 40 FEAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CCn3ccnc3C)[C@H]2O)cc1 585285337 OHWWMYAJIPJYDB-YVWKXTFCSA-N 357.454 2.225 0 40 FEAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)O[C@H](C)C1 32633720 RMKQLQYHJFCRAO-CLCXKQKWSA-N 371.481 2.487 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)OCC(=O)NCCc1c(F)cccc1F 50968796 LVCUGIRXGPDVDX-UHFFFAOYSA-N 371.771 2.176 0 40 FEAB COCCn1nc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n(C2CC2)c1=O 77151037 UEKSFKBXURTART-JKSUJKDBSA-N 374.485 2.088 0 40 FEAB O=C([C@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCOCC1 681251793 OKSNOLXXYBWNHG-NSHDSACASA-N 372.238 2.058 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 12188788 ZZPVLROVWXSSAB-AWEZNQCLSA-N 352.398 2.193 0 40 FEAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CCS(=O)(=O)C2)n1 12227730 VQZWBOFXDLAWII-QWHCGFSZSA-N 370.521 2.348 0 40 FEAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCC[C@@H]2[C@H]1N1CCOCC1 13116369 DDVCADSEIQHMPX-BSIFCXSSSA-N 368.481 2.208 0 40 FEAB O=C(N[C@@H]1CCCc2nc(N3CCOCC3)ncc21)c1ccccc1F 13266853 BYNNEUWDSPITBC-MRXNPFEDSA-N 356.401 2.260 0 40 FEAB COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 13566222 DPPLEOROVGYKEO-FZKQIMNGSA-N 373.453 2.351 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3cccc(Cn4cncn4)c3)ccc21 19019238 MXYPRXBWTLOLMK-UHFFFAOYSA-N 361.405 2.488 0 40 FEAB O=c1cc(CCn2ncc3c2CCCC3)nc(NCc2ccccn2)[nH]1 19401973 FQRDKGKUQNABQN-UHFFFAOYSA-N 350.426 2.095 0 40 FEAB CC1CCN(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)CC1 19662869 RPNWCFVSXVQESF-KRWDZBQOSA-N 353.488 2.039 0 40 FEAB CNc1ccc(Cl)c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 553327734 NZJMLOLFAGPYAY-UHFFFAOYSA-N 373.888 2.459 0 40 FEAB COc1cccc(F)c1[C@H](C)NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 664228853 WAEOVHUZBQUOIL-SRVKXCTJSA-N 358.435 2.160 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NC[C@@H]1CCCO1 4101975 LEJUMFURWWVPNS-AWEZNQCLSA-N 369.450 2.179 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)c1C 4250377 RSLXZBOWDKMKHA-UHFFFAOYSA-N 357.439 2.382 0 40 FEAB O=C(O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 4538805 DKIDUEFGXKKXNI-SGPHBRAGSA-N 354.399 2.316 0 40 FEAB NC(=O)c1nc(-c2cccs2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518722 TXFZPRFFMZZBMP-UHFFFAOYSA-N 355.354 2.075 0 40 FEAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1C 5057202 MEEMLZIOGXZADS-UHFFFAOYSA-N 359.389 2.477 0 40 FEAB COc1ccc(S(=O)(=O)CCC(=O)Nc2onc3c2CCCC3)cc1 8976674 CNMJGLUOPXVELY-UHFFFAOYSA-N 364.423 2.365 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 9156996 QWRNGVAPNUNFKJ-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB Cc1ccccc1C(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739010 GZWQFOWVPFSRIT-AWEZNQCLSA-N 353.422 2.410 0 40 FEAB O=C(COc1ccccc1F)NC[C@H](c1ccsc1)N1CCOCC1 22765952 NPSXTVBVMFZRLP-MRXNPFEDSA-N 364.442 2.456 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1 30437475 PRDBTMRMGROOLB-UHFFFAOYSA-N 371.412 2.289 0 40 FEAB CN(CCNS(=O)(=O)c1ccccc1)CCOc1ccccc1F 40152883 BAELGKLEZSOSCF-UHFFFAOYSA-N 352.431 2.115 0 40 FEAB COc1c(C)cnc(CNC(=O)Cn2ccc(=O)c3ccccc32)c1C 50447528 FHWRPIPMVCHYQP-UHFFFAOYSA-N 351.406 2.338 0 40 FEAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCCNCC1 20432368 HMIZDLCKXFBIEW-UHFFFAOYSA-N 353.669 2.087 0 40 FEAB Cc1ncsc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 51163448 ZTQXFURPQCXJEO-UHFFFAOYSA-N 365.480 2.035 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 21559301 ASEAHELUTPASFH-KXBFYZLASA-N 358.394 2.014 0 40 FEAB Cc1oncc1C(=O)N1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1 32816396 RUGXVMYOAQDOID-UHFFFAOYSA-N 363.443 2.449 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 33019030 WHZSGNPQCBEXMU-CHWSQXEVSA-N 350.415 2.370 0 40 FEAB CC[C@H]1CN(C)c2ccccc2CN1CCCN1C(=O)NC(C)(C)C1=O 79074083 QMNCFBUIJLBRMH-INIZCTEOSA-N 358.486 2.438 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCO[C@H](c2ccccc2)C1 79486175 CKYKHDHTFLXBSR-SFHVURJKSA-N 352.438 2.293 0 40 FEAB O=C(CN1C(=O)CCC1=O)OCC(=O)N(c1ccccc1)c1ccccc1 713124 KYMBBEWXUNZODV-UHFFFAOYSA-N 366.373 2.044 0 40 FEAB C[C@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)[C@@H]1C 4476596 GICAROFGRONRGO-VOMKJEOTSA-N 357.454 2.395 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1)C(=O)C2 4802729 CMTSKRVNGCMVNO-QIIPPGSGSA-N 365.451 2.127 0 40 FEAB CN(C)[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccco1 42764028 UJPFLWUUIQRKOC-ZDUSSCGKSA-N 363.849 2.356 0 40 FEAB COc1ccc(Br)c(C(=O)N[C@]2(C(=O)O)CCSC2)c1 43508495 WHRIFPBNJVSKMM-CYBMUJFWSA-N 360.229 2.148 0 40 FEAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)NC1CC1 35325193 FFGFXZFLRVIALW-UHFFFAOYSA-N 361.511 2.053 0 40 FEAB CS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2c(=O)o1)OCCO3 12619614 NYGGGQOBPHOCIJ-UHFFFAOYSA-N 359.359 2.030 0 40 FEAB Cc1ccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c(F)c1 58162627 DCGMXLBEUXEVII-UHFFFAOYSA-N 361.402 2.125 0 40 FEAB Cc1cccc(OCC(=O)NCCCNC(=O)COc2cccc(C)c2)c1 2136100 LCYBAGLCYZCKAA-UHFFFAOYSA-N 370.449 2.384 0 40 FEAB COc1cc(C(=O)O)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253195 FTPNEENHYBPGEH-UHFFFAOYSA-N 365.407 2.368 0 40 FEAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 10749425 YOGAZSQHRMQTQN-UHFFFAOYSA-N 372.490 2.461 0 40 FEAB Cc1ccc(F)c(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1 36394721 YVKPBRYBZVFFGE-UHFFFAOYSA-N 369.400 2.464 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)n1cccc1 95432482 DZFDTPIYFXYXEG-HNNXBMFYSA-N 355.438 2.065 0 40 FEAB Cc1cnc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cn1 3320177 CXZCDZOESHEVNR-UHFFFAOYSA-N 353.422 2.423 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 28619400 UPVKLSWFQDFFFM-CHWSQXEVSA-N 354.472 2.064 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@@H](C)O1 12819691 SJFJUIMNCMAHLM-TXEJJXNPSA-N 370.291 2.462 0 40 FEAB CCCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3528515 HIAYMLHYDLXNDL-OAHLLOKOSA-N 368.499 2.406 0 40 FEAB C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CCN1C1CCN(C)CC1 95456058 YJKPMKMWIVSZFD-AWEZNQCLSA-N 361.515 2.398 0 40 FEAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cccc(F)c1 19530273 KEEIFDHKAAPMCU-QGZVFWFLSA-N 361.417 2.483 0 40 FEAB Cc1cccc(CN2CC[C@]3(C2)CN(S(C)(=O)=O)c2cccnc23)c1 306140610 UYUSTCCNVWRFOD-IBGZPJMESA-N 357.479 2.313 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)c2cc(OC)cc(OC)c2)c1 6309124 BNDJPMCPRURMJP-UHFFFAOYSA-N 358.394 2.423 0 40 FEAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)c1 14109650 HXFGTADCTHABSA-UHFFFAOYSA-N 354.454 2.468 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14182816 SHQWRIWTVZKSOL-KPZWWZAWSA-N 365.389 2.110 0 40 FEAB CCOC(=O)c1cnc(SCc2occc2C(=O)OCC)nc1N 9316993 VKZIVFQUJDRGDI-UHFFFAOYSA-N 351.384 2.298 0 40 FEAB O=C1C[C@H](N2CCN(C3CCCCC3)CC2)C(=O)N1Cc1ccc(F)cc1 19877397 DVFWECSBTNUNQU-IBGZPJMESA-N 373.472 2.404 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 15810809 LUQCUFFQKVNUHJ-OAHLLOKOSA-N 366.826 2.190 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7779267 YBDMHUYMTHLSKY-CYBMUJFWSA-N 359.426 2.383 0 40 FEAB COc1ccccc1OCCNC(=O)c1ccc(CN2CCOCC2)cc1 78438205 FSVLAAZIRJZDRA-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB Cc1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)CN(Cc1ccccc1)CC2 72347600 MXUNOZMOQVOFBO-KRWDZBQOSA-N 365.481 2.045 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1 409135420 QMTMHICMALJIDR-ZDUSSCGKSA-N 356.353 2.361 0 40 FEAB CCN1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 32602267 PGRRXZMQAWCVPH-UHFFFAOYSA-N 361.305 2.392 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306125869 DEIRBUBJMWASBV-AWEZNQCLSA-N 352.381 2.261 0 40 FEAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)NCCC1=CCCCC1 79490482 GDRFMEQQOBREIX-UHFFFAOYSA-N 351.410 2.051 0 40 FEAB CC(C)Oc1cccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 219015487 BVONLENNRNKGJI-HDICACEKSA-N 370.449 2.431 0 40 FEAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3ccnn3C)C2)on1 72396732 JTQCOIKLYDFMOS-LLVKDONJSA-N 358.427 2.255 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)cs2)CC1 72243201 DAEZZWXOBPFGQJ-UHFFFAOYSA-N 356.494 2.194 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1 47266693 CKOYYYORMXDZFI-UHFFFAOYSA-N 360.479 2.306 0 40 FEAB C[Si](C)(CNS(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 195567540 FLPSXAFLMNBYGL-UHFFFAOYSA-N 354.935 2.309 0 40 FEAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)n1 225500117 WYMKQDUXHYBJKF-ZDUSSCGKSA-N 361.373 2.317 0 40 FEAB CN([C@@H](C(=O)NCCSC1CCCC1)c1ccccc1)S(C)(=O)=O 224779316 MGGLMZWKOPBPRL-MRXNPFEDSA-N 370.540 2.411 0 40 FEAB CCc1nnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)s1 95479820 DHMGZBGNBAXXRB-LLVKDONJSA-N 359.411 2.219 0 40 FEAB Cc1csc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)n1 97531588 QDVWNTZXFARNLV-CQSZACIVSA-N 370.434 2.041 0 40 FEAB biogenic COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCc2cnn(C)c2)cc1 583616178 RWMACCQHLPWPJB-UYAOXDASSA-N 357.454 2.260 0 40 FEAB Cc1ccc(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)cc1F 96084714 IHISCHQLVHNGBZ-UHFFFAOYSA-N 354.389 2.017 0 40 FEAB O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cccnc1 96112918 SMTMZFXWVSZEGZ-INIZCTEOSA-N 352.369 2.413 0 40 FEAB biogenic,in-vitro CCN(CC)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 247869527 CPZKGYSEOPXWLD-GOSISDBHSA-N 374.460 2.499 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1 245266224 JGXCYJCEEBJRSK-LHGOHGHSSA-N 371.433 2.419 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 257326165 WWBNZHUCRAZFPA-SFHVURJKSA-N 355.442 2.220 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257249271 JHNLOIGRLWMAOG-OAHLLOKOSA-N 358.423 2.351 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257237069 HFARNWFPOPBTNW-QGZVFWFLSA-N 358.467 2.389 0 40 FEAB Brc1cnn(C2C[C@@H]3CC[C@H](C2)N3CCn2nccn2)c1 1776008950 SXASTSUBZASIIN-PBWFPOADSA-N 351.252 2.105 0 40 FEAB Cc1noc([C@H]2CN(Cc3cn(C)nc3-c3ccncc3)C[C@@H](C)O2)n1 628444714 UAIWGPLTNRIIPS-MLGOLLRUSA-N 354.414 2.136 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2C)cc1C 643673121 ORUUPXAWEGKQEA-MSOLQXFVSA-N 356.470 2.007 0 40 FEAB CN1CCN(C(=O)c2ccc3c(c2)CCNCC3)[C@H](Cc2ccccc2)C1 653253916 DMGXXXSSJFIISN-JOCHJYFZSA-N 363.505 2.374 0 40 FEAB CC(C)(C)[C@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1nc(=O)o[nH]1 1162936717 UTULLHFMHURLOH-CQSZACIVSA-N 355.398 2.125 0 40 FEAB O=S(=O)(NCC[C@H]1CCOC12CN(C1CCCC1)C2)c1ccccc1 585103305 UICNSLNJYCUUNW-INIZCTEOSA-N 364.511 2.389 0 40 FEAB COc1ccc([C@@H](NC(=O)c2cc3n(n2)CCO3)C(F)(F)F)cc1F 685939933 NOYRAHMRFONWGG-CYBMUJFWSA-N 359.279 2.457 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(Cc2ccco2)CC1 38584109 PSYIYECBCUMTBI-UHFFFAOYSA-N 353.444 2.075 0 40 FEAB CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C 1560406664 LQFDISJRAZFLLJ-RWMBFGLXSA-N 366.482 2.025 0 40 FEAB CCN(CC)CCOC(=O)c1ccc(N[C@H](CO)CN(CC)CC)cc1 5422234 JCEUOAUCYNYHNW-IBGZPJMESA-N 365.518 2.300 0 40 FEAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1 5604106 MVLCNZSMGNNLEW-HNAYVOBHSA-N 354.406 2.193 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 12365045 AHKXGINFZUIYNK-GFCCVEGCSA-N 367.409 2.390 0 40 FEAB CO[C@@H]1Oc2ccccc2N([C@H](NC(C)=O)C(Cl)(Cl)Cl)C1=O 16320932 BAKMDWRJVROGQY-NEPJUHHUSA-N 367.616 2.217 0 40 FEAB COc1cnc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)nc1 1889168625 ZZLBJFBUJQUDJX-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB CCN(CC)C(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 1427775 YGWIIIVWDASCOQ-UHFFFAOYSA-N 356.451 2.325 0 40 FEAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCC1 2976058 QLHYMVAFASFJLA-UHFFFAOYSA-N 374.510 2.382 0 40 FEAB O=C(CS(=O)(=O)Cc1ccccc1)NCCOc1ccccc1Cl 4727580 ZDHGGPFPEZCKIC-UHFFFAOYSA-N 367.854 2.450 0 40 FEAB COc1cccc(COc2cn(C)c(C(=O)NCc3ccco3)cc2=O)c1 12167224 LNEMGRCCIVHUEU-UHFFFAOYSA-N 368.389 2.496 0 40 FEAB O=C1COc2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2N1 19625316 VZIQEBSUJDWUDX-UHFFFAOYSA-N 351.362 2.397 0 40 FEAB COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1)C(C)C 40309668 NTCSKMNSHZGRHR-RDJZCZTQSA-N 356.426 2.264 0 40 FEAB biogenic CC(=O)N[C@@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccs1 31353733 DSWDBGHXMRZIKI-HNNXBMFYSA-N 374.462 2.446 0 40 FEAB CCCc1noc(CN2CCN(C(=O)c3ccccc3OCC)CC2)n1 52000730 UDPSBKPIIMCGNK-UHFFFAOYSA-N 358.442 2.379 0 40 FEAB COC(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)cc(C(=O)OC)c1 8751862 NYGBQMJWTGXLQM-INIZCTEOSA-N 355.346 2.202 0 40 FEAB COCCNC(=O)NC(=O)CSc1nccn1-c1cccc(C)c1C 8705380 WACJIDDCRIHAHC-UHFFFAOYSA-N 362.455 2.053 0 40 FEAB O=C(C1=Cc2cc(Cl)ccc2OC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 78274725 LYDPPAVCKMWDRA-OAHLLOKOSA-N 367.854 2.294 0 40 FEAB O=C1N=C(NOCCc2ccccc2)C[C@@H](NOCCc2ccccc2)N1 1757641 XEKOJJQJGVAFJN-GOSISDBHSA-N 368.437 2.352 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2)c1 2808038 PZOLHLTWVGDAPM-GEEKYZPCSA-N 357.797 2.252 0 40 FEAB O=C(N=c1[nH]cc[nH]1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 72404585 RMUZBAFIVGIYFB-UHFFFAOYSA-N 354.320 2.339 0 40 FEAB COc1ccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 6589325 BQRJOGPMEXXJKA-FQEVSTJZSA-N 368.389 2.304 0 40 FEAB O=C(CNC(=O)Nc1ccc(OC(F)F)c(F)c1)NCc1ccco1 47714132 YRDMUVGBJKZTOG-UHFFFAOYSA-N 357.288 2.458 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(-n2cnnn2)c1 24330955 RCYLKYUOVJWNMZ-AWEZNQCLSA-N 374.408 2.076 0 40 FEAB O=C1C[C@H](c2ccccc2)N(C[C@@H](O)COc2ccc(F)cc2)CCN1 106629220 BCSPZAAVPTZKOL-IEBWSBKVSA-N 358.413 2.129 0 40 FEAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 9262218 YJLKUTDADCMHQD-JKSUJKDBSA-N 351.362 2.463 0 40 FEAB Cc1ccc(NC(=O)COc2ccc(CCNS(C)(=O)=O)cc2)cc1 57009639 WMLOJLGDOFUHBI-UHFFFAOYSA-N 362.451 2.104 0 40 FEAB C[C@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 57270728 MXGWVHATMDOAIY-NSHDSACASA-N 358.467 2.153 0 40 FEAB CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ncn2)cc1 1772111 SCPRLBIFYMIYMG-UHFFFAOYSA-N 364.427 2.415 0 40 FEAB COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H](C)O 108502669 NFUJRIWHHGWWRE-SUNYJGFJSA-N 357.406 2.160 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)o1 58182535 WVWGWGJZWMISAK-QGZVFWFLSA-N 363.320 2.272 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)cc1 58180624 JTGXFJZKYDLFEI-LJQANCHMSA-N 371.393 2.311 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCCN1CCCc2ccccc21 58378033 HCPIKDWRTAMRLV-UHFFFAOYSA-N 364.511 2.303 0 40 FEAB COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)NC1CC1 10555788 VNBONUOPJLXJLY-UHFFFAOYSA-N 367.452 2.153 0 40 FEAB COc1cc2ncn(CCCC(=O)NC3CCCC3)c(=O)c2cc1OC 10755005 OJWPZLUHZKSPBG-UHFFFAOYSA-N 359.426 2.253 0 40 FEAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 10833744 FNURKUIXFHQHAH-INIZCTEOSA-N 362.451 2.216 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)C1=COCCO1 12737522 KCFMVACJQIFIGQ-JTQLQIEISA-N 355.774 2.415 0 40 FEAB COc1cc(NC(=O)Cc2ccccc2F)ccc1NS(C)(=O)=O 29968196 OYWGONVVQFNZQE-UHFFFAOYSA-N 352.387 2.387 0 40 FEAB COCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 13005541 ZANLNGUSKQPKJE-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB COc1ccccc1-n1c(N)c(C(=O)N2CCOCC2)sc1=S 13690740 FCVWSDSWNQLODE-UHFFFAOYSA-N 351.453 2.331 0 40 FEAB Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 6248779 FYZREKKLDINHCT-UHFFFAOYSA-N 364.405 2.022 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1F 71285768 KCTXBFCVTFYNKW-UHFFFAOYSA-N 374.391 2.435 0 40 FEAB CC(C)OCCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4435557 MOYBCJQGZWWOBL-SFHVURJKSA-N 356.422 2.204 0 40 FEAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 14167215 RPAVWQKPIBHPHI-KXBFYZLASA-N 358.369 2.033 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)C3CCC3)c2C(N)=O)C1 14141864 PQEAKUIHLIXKSA-SECBINFHSA-N 350.440 2.254 0 40 FEAB O=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1 409021166 YMZPEUJFROJSGK-LFIBNONCSA-N 371.368 2.348 0 40 FEAB CC(C)n1c(=O)n(CCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6764581 DENPMSONENMEOA-UHFFFAOYSA-N 352.456 2.039 0 40 FEAB Cc1ccnc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 9322050 LBBDXPMKRNRGHY-HXUWFJFHSA-N 364.405 2.112 0 40 FEAB Cn1ccnc1[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 9313977 SSICISZCHKKSQK-INIZCTEOSA-N 370.409 2.387 0 40 FEAB Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccccc3F)nn2)n1 19924238 PVXNLRKFPWFERQ-UHFFFAOYSA-N 354.389 2.260 0 40 FEAB CCn1c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1C1CC1 7841313 ASAUHHLZCWFGDM-SECBINFHSA-N 372.454 2.464 0 40 FEAB NC(=O)COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7848448 QLRISYBNLRUALF-UHFFFAOYSA-N 373.840 2.167 0 40 FEAB Cc1ccc2c(ccn2CCNC(=O)Cn2nc3c(cc2=O)CCCC3)c1 96345127 RZLDFNYHOQDCQR-UHFFFAOYSA-N 364.449 2.202 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 69782511 KJCKWOBOHAFVMS-SCLBCKFNSA-N 362.451 2.218 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1OC 33688081 AUXKDGLZZZSMSH-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB C[C@H]1Cc2c(NC(=O)c3cc(-c4ccccc4)on3)nn(C)c2NC1=O 35597792 LJFHQSLSAMIMTQ-JTQLQIEISA-N 351.366 2.458 0 40 FEAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@@H](C)N(Cc2ccoc2)CC3)cn1 306143861 YOSFAMQLVQDZKQ-CQSZACIVSA-N 366.425 2.081 0 40 FEAB Cc1cc(N2C[C@@]3(F)CN(C(=O)C4(C)COC4)C[C@@]3(F)C2=O)c(C)s1 306126926 FJHWTUSYHHDTKF-DLBZAZTESA-N 370.421 2.007 0 40 FEAB O=C(NCCc1cc(Br)ccc1F)N1CC(=O)N(C2CC2)C1 516847490 NTACVFYNUCMQCI-UHFFFAOYSA-N 370.222 2.104 0 40 FEAB COc1ccc(N2C(O)=c3ccccc3=N[C@]23C(=O)Nc2ccccc23)cc1 36359587 LGFJLAGFWNTFLS-QFIPXVFZSA-N 371.396 2.264 0 40 FEAB O=C(O)[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 43701106 BASLQRQSVVUTPS-SNVBAGLBSA-N 362.245 2.145 0 40 FEAB CNC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223396431 ZQROSNVIMOSKGH-UHFFFAOYSA-N 350.465 2.350 0 40 FEAB Cc1ncsc1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780208 NFEZXLBLVRWKEZ-UHFFFAOYSA-N 360.826 2.311 0 40 FEAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220869340 UTRBZHKSLXABGW-GFCCVEGCSA-N 370.438 2.386 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048988 WUCATPWPHXBHHJ-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB O=C(COc1ccc(F)cc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247734666 JWVCLPJORZDPBR-KRWDZBQOSA-N 372.396 2.439 0 40 FEAB Cc1ccccc1CN1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 248131508 AVMQYNLVICGVBH-IBGZPJMESA-N 358.482 2.367 0 40 FEAB CO[C@H](C(=O)N1[C@H]2CC[C@H]1Cc1c(O)nc(C)nc1C2)c1ccccc1 247923440 AGDHTKBTRWCSSS-MPGHIAIKSA-N 353.422 2.337 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2cccc3c2OCO3)C[C@H]1c1cnn(C)c1 585655716 SRXPFYAZTIDDAX-HOCLYGCPSA-N 357.410 2.041 0 40 FEAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260897604 JEDXZEHOFSJYDF-ZIAGYGMSSA-N 356.488 2.319 0 40 FEAB CNC(=O)[C@@H]1CCCN(c2nc(Nc3ccccc3)c3nc[nH]c3n2)C1 663588613 LIDDAWHQVGDWKR-GFCCVEGCSA-N 351.414 2.059 0 40 FEAB O=C(CCc1nc(O)c2ccccc2n1)N1CC[C@]2(O)CCCC[C@H]2C1 604405805 VUVHAVKPOQXWRM-VBKZILBWSA-N 355.438 2.422 0 40 FEAB biogenic C[C@@]1(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CC=CCC1 585110661 XDNPVINYBVNPBE-OAQYLSRUSA-N 370.497 2.431 0 40 FEAB COc1ccc(CN2C[C@H](CC(=O)N3CCCC3)[C@@H](OC)C2)c(F)c1 585277683 KIFUWPBSRLXLRN-YJBOKZPZSA-N 350.434 2.294 0 40 FEAB COc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cc1 585110757 AHOPUTOGYIVELI-SFHVURJKSA-N 368.481 2.444 0 40 FEAB CCOc1ccc(F)c(NC(=O)N[C@H]2CCc3c(nnn3C)C2)c1F 685938875 HKFBEKUCEKPVOV-VIFPVBQESA-N 351.357 2.171 0 40 FEAB CCCNC(=O)C1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1 53796341 DEANRLGNNCIBGF-UHFFFAOYSA-N 355.438 2.424 0 40 FEAB CC(C)[C@H](C(=O)Nc1ccc(N(C)CCO)cc1)N1C[C@@H](C)O[C@H](C)C1 108149306 NGGIZWGYZOFUBO-GPMSIDNRSA-N 363.502 2.187 0 40 FEAB COCCOc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)ccn1 182585698 CKMIGDYUQSPOSA-UHFFFAOYSA-N 369.465 2.107 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152537 ACLWJFXOFFPSTJ-HXUWFJFHSA-N 369.396 2.259 0 40 FEAB O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(CN2C(=O)CNC2=O)cc1 11320570 ASEPLJUKAOHECZ-LLVKDONJSA-N 357.193 2.089 0 40 FEAB COc1ccc(OC)c(CN(Cc2cnc(N)nc2)C[C@H]2CCCO2)c1 12187512 FHOPSJWIJWXNHE-QGZVFWFLSA-N 358.442 2.257 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)Cc3cccc(O)c3)cc2n1 12337021 CFYOUOOYCWYBLE-INIZCTEOSA-N 352.394 2.355 0 40 FEAB Cn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 12444494 HEKUAPIYSOGKNC-UHFFFAOYSA-N 369.252 2.455 0 40 FEAB CC(C)CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 12483459 QUPCWKLCIHVIKF-CSEOROSGSA-N 374.525 2.040 0 40 FEAB biogenic,in-vitro Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960207 ABVNLHFYPDEWBE-YVSFHVDLSA-N 351.406 2.215 0 40 FEAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@H]2CCOC2)on1 19123420 KKUYSQXUEMSXQL-LBPRGKRZSA-N 357.414 2.009 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)cc1C 19571454 DYWRHWOCODPDBT-UHFFFAOYSA-N 359.451 2.411 0 40 FEAB CC1CCN(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)CC1 19662873 PTVPEWDYANFUTA-UHFFFAOYSA-N 350.444 2.145 0 40 FEAB Cc1cccn2cc(C(=O)N3CCO[C@@H](C(=O)Nc4ccccc4)C3)nc12 19747599 BVBQOSFNXIJAHA-QGZVFWFLSA-N 364.405 2.122 0 40 FEAB CCO[C@@H](C)c1ncc(C(=O)N2CCCN(c3cccnn3)CC2)s1 608126989 RQMCTKRHHMCVDL-ZDUSSCGKSA-N 361.471 2.383 0 40 FEAB O=C(c1cc2n(n1)CCCO2)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220765193 FIQJJVMZMIUXAH-LBPRGKRZSA-N 357.414 2.021 0 40 FEAB COc1cccc(N2CCN(C(=O)c3ccc4nc(C)cn4n3)CC2)c1 1888906286 MWKYTHNGHIOERT-UHFFFAOYSA-N 351.410 2.009 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 238867731 MDYVHYWSYXKCOT-UHFFFAOYSA-N 362.389 2.429 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)Nc2nc(O)c3c(n2)CCCC3)cc1 1583641312 WCOJBDBGAOZRQR-UHFFFAOYSA-N 352.394 2.116 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)cn23)n(C)c1=O 4250545 WIPKBPKJJYBGNG-UHFFFAOYSA-N 351.410 2.165 0 40 FEAB COC(=O)c1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)cc1 5154441 LDZKWRUUHCOBHQ-UHFFFAOYSA-N 354.341 2.425 0 40 FEAB COc1ccccc1NC(=O)[C@H]1[C@@H](c2cccnc2)n2ncnc2N[C@@H]1C 11694918 OVFQWIJLQXAHAB-CSMYWGQOSA-N 364.409 2.340 0 40 FEAB CCOc1ccc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1OCC 16689594 XIYHAILXIOQFRD-CQSZACIVSA-N 355.456 2.133 0 40 FEAB CSc1nc(C2CC2)cc(N2CCN(c3ccc4nccn4n3)CC2)n1 2086865261 AWHBQPSIZGRBNL-UHFFFAOYSA-N 367.482 2.445 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc2nsnc2c1 575620555 UWMKOWRYKCAJIS-UHFFFAOYSA-N 353.407 2.143 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)cc1 101593108 PCOFFVXKZRABOG-RDJZCZTQSA-N 368.320 2.044 0 40 FEAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1 101866591 HZXXHIKSENHNKT-LJQANCHMSA-N 366.465 2.280 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCNc1nc2ccccc2s1 52564525 ZPADXZDUKISARM-LLVKDONJSA-N 358.423 2.236 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102531493 PCTVPHUOMUFQJN-HLNSEHPISA-N 354.406 2.219 0 40 FEAB COc1ccc([C@@H]2NC(=O)N3[C@H](c4ccc(OC)cc4)NC(=O)N23)cc1 1716087 LFANLKCCGBGRGL-HZPDHXFCSA-N 354.366 2.367 0 40 FEAB O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCc1ccncc1 78954480 ZPQULWPKKKTAOM-UHFFFAOYSA-N 353.422 2.484 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 4045222 FXJBQVPHCGXDSM-HNNXBMFYSA-N 356.378 2.364 0 40 FEAB biogenic CCCCOC(=O)[C@@H](C)OC(=O)OCCOCCOC(=O)OC(C)C 4403561 NYKAPLDVKNVSIS-CYBMUJFWSA-N 364.391 2.450 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1OC 4419153 GMATYRCICSIMOA-UHFFFAOYSA-N 351.380 2.227 0 40 FEAB COc1ccccc1NC(=O)CSc1nc(=O)n2cccc(C)c2n1 4504028 SUMBNEXMVZYAQB-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 7769303 XOWKEZPUYJTXQR-UHFFFAOYSA-N 360.439 2.212 0 40 FEAB CN1CCN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)CC1 55032103 LFTCANCHRMXORD-UHFFFAOYSA-N 359.474 2.459 0 40 FEAB COC(=O)c1ccoc1COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 23451829 JDVDZIVZWFJENB-UHFFFAOYSA-N 374.349 2.340 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc2c(c1)OCCCO2 8344864 VEVOEWBTRPGKQH-GOSISDBHSA-N 357.410 2.069 0 40 FEAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1 8677503 FVYLZSMZBFMIAE-UHFFFAOYSA-N 358.419 2.233 0 40 FEAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCCCC4)c(=O)c23)C1 1331918 VRYBKBITDBYARK-GFCCVEGCSA-N 360.483 2.380 0 40 FEAB CC(=O)c1ccccc1OCCN1C(=O)N[C@H](Cc2ccccc2)C1=O 24968414 QRFJNKSQXBBDIV-QGZVFWFLSA-N 352.390 2.431 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(Cl)cc1)CS2 26052806 OLEATLWYXJQJAU-CJNGLKHVSA-N 354.859 2.289 0 40 FEAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 108169591 IKCNNFCESGIBMU-IINYFYTJSA-N 373.858 2.380 0 40 FEAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 107913337 HVZJRELUYWVPSK-ALKREAHSSA-N 360.410 2.131 0 40 FEAB COc1cccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N(C)C)c1 10091235 KZANQDYLTWVQDL-KRWDZBQOSA-N 352.431 2.416 0 40 FEAB CC1CCN([C@H](C)CNC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 58179257 JJZKTWAJLPAXPL-CYBMUJFWSA-N 359.392 2.104 0 40 FEAB COC(=O)CC1CCN(C(=O)Nc2snc(C)c2C(=O)OC)CC1 58162704 BLZBFXOVOJAHGX-UHFFFAOYSA-N 355.416 2.045 0 40 FEAB CCNC(=O)CN(CC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 58216300 ARGYFVLMHPKKFG-OAHLLOKOSA-N 366.531 2.128 0 40 FEAB O=C1CCC(=O)N(c2ccc(C(=O)NCc3ccc4c(c3)CCC4)cc2)N1 62261946 YKTZRMJYQBXWFU-UHFFFAOYSA-N 363.417 2.263 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OCC(C)C)c(OC)c2)C1=O 12791727 HVORVDAWAFQODA-SFHVURJKSA-N 363.414 2.095 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)C1=NN(c2ccccc2)C(=O)CC1 12761506 KONPVZACOUNIFD-UHFFFAOYSA-N 365.389 2.257 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(N)=O)s2)cc1OC 10694243 BQDLUMKEWSZRLR-VIFPVBQESA-N 350.396 2.166 0 40 FEAB NC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1 10675356 KHYIMRSLBGESGC-SJCJKPOMSA-N 374.343 2.088 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 3311276 WERWGQGKUQNPDW-NRFANRHFSA-N 363.417 2.433 0 40 FEAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)on1 48310226 JTVJCOHOXYZORJ-OCCSQVGLSA-N 350.440 2.206 0 40 FEAB O=C1N[C@H](c2ccncc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859136 LOIPLWAYKJCXIZ-IOASZLSFSA-N 365.311 2.186 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(F)cc1Cl 12894476 MJMVUUGZSZFXKQ-UHFFFAOYSA-N 370.833 2.458 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)Cn1cnc2ccccc2c1=O 3421922 MAECMOQCKAUBTG-UHFFFAOYSA-N 366.373 2.351 0 40 FEAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(Cl)cn1 3408682 SFBFTLZTOKCGFY-VIFPVBQESA-N 362.773 2.410 0 40 FEAB CCC(CC)[C@@H](CNC(=O)[C@H]1COc2ccccc2C1)N1CCOCC1 12937254 ILBOMHRGHXZFIR-RTBURBONSA-N 360.498 2.491 0 40 FEAB CCC(=O)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 12978158 PXBGVRLNBGRWJL-UHFFFAOYSA-N 353.422 2.402 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCCC(C)C 4082001 HRKZBHUOMDLPEH-SGTLLEGYSA-N 364.467 2.436 0 40 FEAB biogenic Cc1cc(N2CCOCC2)nc2sc3c(NCCN(C)C)ncnc3c12 71281153 AOWIQCSCUPNYIL-UHFFFAOYSA-N 372.498 2.358 0 40 FEAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 97604650 KPHXLTATMJDTIA-UHFFFAOYSA-N 353.271 2.482 0 40 FEAB Nc1nnc(SCC(=O)NCCc2ccccc2OC(F)F)s1 13986471 LJYJZEWABYZWDW-UHFFFAOYSA-N 360.411 2.173 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 5354390 ZXJGJPVYKIJGHB-AWEZNQCLSA-N 350.440 2.204 0 40 FEAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCOCC1 14167155 RSRPKYYWXFWJKP-ZDUSSCGKSA-N 356.422 2.451 0 40 FEAB CC(=O)N1CCN(CC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)CC1 14117202 HFPJLAQCFNHHNJ-HXUWFJFHSA-N 371.506 2.426 0 40 FEAB CC(C)Oc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 4502596 AWGOYYYQIMSYKG-UHFFFAOYSA-N 374.418 2.257 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)N1CCCC1 14239206 MDODVZHGIIQBBH-BBRMVZONSA-N 364.417 2.134 0 40 FEAB COc1ccc(CNCCNC(=O)c2ccccc2F)c(OC)c1OC 4700785 BKAYPIIRPJYIFJ-UHFFFAOYSA-N 362.401 2.371 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1cn2ccsc2n1 9319108 FHMJDYZESBOGNA-UHFFFAOYSA-N 370.478 2.434 0 40 FEAB CN(Cc1ccnc(N(C)C)n1)C(=O)c1cnn(Cc2ccccc2)c1 95464846 DFDIMFWJVPWBGA-UHFFFAOYSA-N 350.426 2.060 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 7292558 ZUCBQSNXOAYZTO-UHFFFAOYSA-N 365.345 2.344 0 40 FEAB CCOCCOCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 69369297 VNTLAERNYMQYSO-UHFFFAOYSA-N 360.454 2.123 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCc2ccccc2C1 8726138 PYJNLPYVHQJROL-UHFFFAOYSA-N 353.353 2.227 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(Cn2nnc(-c3cccs3)n2)n1 9670543 AHCICQQDHGKNLS-UHFFFAOYSA-N 365.426 2.269 0 40 FEAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nn(C3CCCC3)cc2C1=O 306142795 XKESSTQGLQJUME-UHFFFAOYSA-N 356.470 2.354 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 24583226 WHZSGNPQCBEXMU-STQMWFEESA-N 350.415 2.370 0 40 FEAB CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 408707863 RTBMXFQBMFTATJ-UHFFFAOYSA-N 370.405 2.135 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(F)cc1 67068614 LRFRHBRJVWDCBV-UHFFFAOYSA-N 371.412 2.474 0 40 FEAB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1ccccc1 33797648 GHRYVAUJKLWHLS-HNNXBMFYSA-N 356.447 2.269 0 40 FEAB CCOc1cc([C@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)ccc1O 35148005 YBESOHISFYLZBR-HNNXBMFYSA-N 373.413 2.408 0 40 FEAB COC(=O)Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2OC)cc1 39996277 QZQBRDFIRQLWRA-CQSZACIVSA-N 357.406 2.494 0 40 FEAB C[C@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(=O)O)cn2)C[C@H](C)O1 566302088 YGAJWUNOMQEDTG-STQMWFEESA-N 370.409 2.036 0 40 FEAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)c1c(n(C)c(=O)n(C)c1=O)N2 72402803 LKUXUJBDKRYUJO-HNNXBMFYSA-N 365.437 2.476 0 40 FEAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 225502638 GRMCJLYZLFZWDE-CQSZACIVSA-N 366.425 2.103 0 40 FEAB Cc1cc(C(=O)Nc2cccc(CS(=O)(=O)NCC(C)C)c2)on1 223231455 QHTNAWREFNFKJP-UHFFFAOYSA-N 351.428 2.311 0 40 FEAB O=C(NCCNc1cc(-n2cccc2)ncn1)Nc1ccc2c(c1)OCO2 75172269 ZNVWQQYRFCERMH-UHFFFAOYSA-N 366.381 2.230 0 40 FEAB O=C(Nc1ccccn1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 49550208 LYFVAWXQEOAAHH-INIZCTEOSA-N 370.478 2.390 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2)s1 224704969 FSYMRHZYNWCSOY-UHFFFAOYSA-N 358.420 2.463 0 40 FEAB CC[C@@H](NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1)C(=O)N1CCOCC1 84458639 VBLDXXKCOLFMOJ-RBUKOAKNSA-N 373.497 2.349 0 40 FEAB COc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 96181718 SOJKDVJIMCWBPG-ZWKOTPCHSA-N 358.369 2.371 0 40 FEAB COCCNC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96144468 HSHOYCSVJGFYTQ-IRLDBZIGSA-N 366.461 2.496 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)NC(C)C)C1 96244557 CBDOAQROWOYEHX-IBGZPJMESA-N 359.474 2.199 0 40 FEAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n[nH]1 96375423 JOBIXPAEXDYJAN-YIONKMFJSA-N 359.451 2.257 0 40 FEAB CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1 257271582 MYXLCZGVJBKFSH-WBVHZDCISA-N 352.862 2.480 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2cn(C)cn2)c1 257247383 IYTXLXIKYQZKNZ-UHFFFAOYSA-N 363.421 2.048 0 40 FEAB COc1ccc(CN2CCCN(CC(=O)Nc3cc(C)no3)CC2)cc1 25438795 PNUGMOAWFZCKGS-UHFFFAOYSA-N 358.442 2.138 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 25423802 GVKVOUKDSNWZBU-HNNXBMFYSA-N 372.421 2.004 0 40 FEAB CC(=O)N1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 257249010 JGHNARGBLMUVLA-UHFFFAOYSA-N 359.426 2.313 0 40 FEAB CC(=O)NCc1cnc(CC2CCN(Cc3ccncc3C)CC2)cn1 257202893 ANVNEMUTCIDPFO-UHFFFAOYSA-N 353.470 2.271 0 40 FEAB CCn1cc(C(=O)N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 257233618 GPZSQMOOQZXVLX-ICSRJNTNSA-N 355.438 2.493 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257322530 WGJCUQPPSCRJQP-KRWDZBQOSA-N 359.401 2.266 0 40 FEAB CC(C)(C)[C@@H](C(=O)O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 663099777 WVEBHGVATYYWND-MRXNPFEDSA-N 371.437 2.199 0 40 FEAB COCc1cc([C@H](C)N[C@@H]2CN(C)C[C@H]2c2cncn2C)ccc1OC 1775959890 FJCQSOKAOLCNMI-BMGDILEWSA-N 358.486 2.324 0 40 FEAB O=C(COc1ccc(Cl)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122064 IUAIBEVZAWWPJN-UHFFFAOYSA-N 369.826 2.138 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)N(C)Cc2ccccn2)C1 585095828 OCZHHVMWPPVYHW-GOSISDBHSA-N 369.469 2.256 0 40 FEAB Cc1cccc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)n1 585110859 RAPDFKTXSXSKRL-QGZVFWFLSA-N 353.470 2.139 0 40 FEAB C/C(=C\C(=O)N1C[C@H]2COC[C@@]2(c2nnc(C)o2)C1)c1ccccc1F 685941315 KGBWAEIZEXYDOR-MOLIFSLDSA-N 357.385 2.347 0 40 FEAB O=C(c1cnccn1)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1565522507 JOLHEAKZBLMRHL-UHFFFAOYSA-N 353.426 2.465 0 40 FEAB COCCN(CCC(=O)OC)C(=O)c1csc(-c2ccc(C)o2)n1 78681388 ZXZNKJKOBPCMNT-UHFFFAOYSA-N 352.412 2.363 0 40 FEAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccco2)cc1 5060386 BDLQYTWHVIHVDY-CYBMUJFWSA-N 366.439 2.050 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCCc3ccccc3)cc3c2N1CC3 5153560 JWJRNIZWTSARTA-UHFFFAOYSA-N 356.447 2.043 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)NC(=O)N[C@]1(O)C(F)(F)F 5577295 UUZFZMQKEXJTOV-OUJBWJOFSA-N 366.723 2.124 0 40 FEAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccccc1)C(=O)O 5633037 TVRHFFMWZVUYHJ-SJORKVTESA-N 362.470 2.376 0 40 FEAB CCn1cc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)n1 12253453 WGSDAKDBZQXQSM-UHFFFAOYSA-N 357.483 2.350 0 40 FEAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1 12374089 BICZWCANBLPDGL-UHFFFAOYSA-N 365.437 2.411 0 40 FEAB C[C@H](Sc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 15589956 NYEPVPYYNDETNK-ZDUSSCGKSA-N 364.492 2.174 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 16640584 KGXNUXZGKKVMRN-NSHDSACASA-N 370.833 2.462 0 40 FEAB COc1ccc(CC(=O)N[C@@H](C)c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 19458439 MMHMZBBBRLXLGI-ZDUSSCGKSA-N 364.405 2.260 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4n3C)C2)n1 19715566 LXFLBRZTKIUKSN-CQSZACIVSA-N 352.442 2.125 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](c1ccccc1)c1nn[nH]n1 622612458 XNEHQIFRCFNZRN-CYBMUJFWSA-N 362.315 2.441 0 40 FEAB CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccccc1Cl)c1ccco1 6948564 VHJIESXORJXHKN-HNNXBMFYSA-N 363.845 2.472 0 40 FEAB Oc1cc(C2CC2)nc(N2CCN(c3ncnc4ccc(F)cc34)CC2)n1 1888908385 AQHZXDQZRPVYAX-UHFFFAOYSA-N 366.400 2.469 0 40 FEAB C[C@@H](c1ccccc1)n1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 23115305 ZDFONWMSSOKUEZ-AWEZNQCLSA-N 367.453 2.033 0 40 FEAB O=C([C@H]1CCCN(c2ncnc3cnccc23)C1)N1CCC(F)(F)CC1 2298047901 ZKUASVJIKBSWCL-ZDUSSCGKSA-N 361.396 2.499 0 40 FEAB CC[C@@H](C)n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 17014294 XWJGEPHQRHMSAS-PIGZYNQJSA-N 368.437 2.272 0 40 FEAB biogenic CNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)s1 40024524 CJFUKUSZHHGRBM-UHFFFAOYSA-N 358.872 2.169 0 40 FEAB CCCS(=O)(=O)NC1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 40091292 QGAVVUKUBJTGSE-GFCCVEGCSA-N 358.508 2.222 0 40 FEAB CC(C)Oc1ccc(-c2noc(C(=O)NCCCN3CCCC3=O)n2)cc1 20746109 QOUKMQVYLHSJDP-UHFFFAOYSA-N 372.425 2.266 0 40 FEAB CCN1CCc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2C1 21296792 VVRKNLLHVVQOSL-UHFFFAOYSA-N 373.482 2.005 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 32869348 JTGLTXRETXYCRY-LRDDRELGSA-N 372.446 2.430 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(F)cc1Cl 22114033 LOGHZEGTQYVKIF-UHFFFAOYSA-N 370.833 2.474 0 40 FEAB COc1cccc(CN(C)S(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 78477900 FPIZPMGRTQVLAG-UHFFFAOYSA-N 365.407 2.223 0 40 FEAB COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC(=O)NN1Cc1ccccc1 646840 QTLLAHOLKVMDAL-AWEZNQCLSA-N 373.434 2.087 0 40 FEAB O=C(CCN1CCOCC1)OC1C[C@H]2CC[C@H](C1)N2CCc1ccccc1 2843481 FLPWWDUXBVQDEG-WOJBJXKFSA-N 372.509 2.490 0 40 FEAB Cc1c(C(=O)OCC(=O)c2ccc[nH]2)sc2nc3n(c(=O)c12)CCC3 6216909 UBMPQNMKYRRDDW-UHFFFAOYSA-N 357.391 2.080 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(NS(C)(=O)=O)cc1 23232411 KDMBZRPMQFBFIB-STQMWFEESA-N 368.455 2.004 0 40 FEAB Cc1ccnc2nc(C(=O)OCc3csc(-c4ccccn4)n3)nn12 12471908 NODOYQBEZJXGJG-UHFFFAOYSA-N 352.379 2.308 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CCN(CC1CCOCC1)C2=O 108535360 STKMNJNNGVINAS-HXUWFJFHSA-N 360.502 2.051 0 40 FEAB CS(=O)(=O)c1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 55049628 MFFHAOGXJJMLAS-UHFFFAOYSA-N 352.437 2.208 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1 69976600 BMMVWSQHPLZALF-UHFFFAOYSA-N 374.397 2.172 0 40 FEAB COc1cc(/C=C/C(=O)N[C@]2(C)CCS(=O)(=O)C2)ccc1OC(C)C 24985882 MYHYNPIWZNXVDZ-JHTBKMLMSA-N 367.467 2.189 0 40 FEAB Cn1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1=O 25339909 SSUHAPSTPISXBZ-UHFFFAOYSA-N 374.750 2.294 0 40 FEAB COc1ccc(O)c(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 26017497 JNARUWXHRYFRNC-UHFFFAOYSA-N 369.333 2.246 0 40 FEAB C[C@@]12[C@@H](O)O[C@H]3CC[C@H]4[C@@H]3[C@@H]1[C@H]1[C@H]3[C@@H]2[C@@H]2CC[C@H]5O[C@H](O)[C@](C)([C@@H]3[C@@H]25)[C@@H]14 104294671 RUNWBLQMNLXFAN-LBDYWFNJSA-N 358.478 2.237 0 40 FEAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)cc2oc1=O 2092284 QQTMBJGUWXTVJY-LRDDRELGSA-N 361.394 2.403 0 40 FEAB biogenic COc1ccc(CN(C)C(=O)Cn2c(-c3cccs3)noc2=O)cc1 58229110 XJJATSKZSRERDE-UHFFFAOYSA-N 359.407 2.232 0 40 FEAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)c1 20153688 YBXJVXOSJWQWTN-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)C(=O)NCc1ccco1 58313517 UTIMPXPKYDZDHY-GJZGRUSLSA-N 370.453 2.207 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 58311729 NPXIADBXOSZNSY-UXLLHSPISA-N 360.454 2.172 0 40 FEAB Cc1nn2c(=O)c3c4c(sc3nc2n(-c2ccccc2)c1=O)CCC4 2240040 AKDPSEFVDGPJDT-UHFFFAOYSA-N 350.403 2.252 0 40 FEAB CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 2335572 GSHZPLGBKGTIOR-UHFFFAOYSA-N 368.462 2.378 0 40 FEAB O=C(COC(=O)c1ccccc1C(F)(F)F)NC(=O)NCc1ccco1 3347800 SVXICGGTHDOZFG-UHFFFAOYSA-N 370.283 2.481 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1F 48354775 BGFXZBWIGKPDOM-UHFFFAOYSA-N 357.334 2.401 0 40 FEAB CC(=O)N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 12885152 CRTYVEJRBAUYDB-UHFFFAOYSA-N 365.231 2.163 0 40 FEAB CC(=O)N[C@H](CC(=O)N1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 62581726 GQDLIUUQXVKUEJ-OAHLLOKOSA-N 373.831 2.317 0 40 FEAB CCCS(=O)(=O)NCCc1cc(OC)c(OC)cc1Br 48955692 ASBPHHMKYHMAJZ-UHFFFAOYSA-N 366.277 2.338 0 40 FEAB O=C1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1 8848138 KUACXCLTJQQHKR-UHFFFAOYSA-N 364.380 2.250 0 40 FEAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1OC 13358991 SJLYWBCFWLQHGJ-ZDUSSCGKSA-N 372.487 2.182 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cc1F 5061401 BCZVYLWNWDJKCX-UHFFFAOYSA-N 364.760 2.391 0 40 FEAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13768821 OIVOWYCVFDPGGC-BETUJISGSA-N 359.426 2.311 0 40 FEAB CCCCOc1ccc(C(=O)NC(=S)Nc2nnn(CCC)n2)cc1 6592588 WGWCOZLLCCFFBR-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 5560160 ZPWATEWLNGUEIF-UHFFFAOYSA-N 371.345 2.074 0 40 FEAB O=C(Cn1nc(-c2cccs2)oc1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9460422 XBOSWHVBUOKJRD-UHFFFAOYSA-N 372.406 2.012 0 40 FEAB O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9456540 QQEIGCIWFIFMLH-UHFFFAOYSA-N 369.443 2.426 0 40 FEAB CCCCN(C(=O)C1CCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 7795923 ZOACPNBVIRPEKR-UHFFFAOYSA-N 350.463 2.242 0 40 FEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1 16483965 ATYMWSPNAMSDHA-OAHLLOKOSA-N 352.438 2.433 0 40 FEAB O=C(NCC1(c2ccccc2)CCOCC1)N1CC[C@](O)(C(F)(F)F)C1 81485730 OJSXTDMTBHXPBZ-QGZVFWFLSA-N 372.387 2.444 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 8502968 IPBZMTZNGKIHOH-LJQANCHMSA-N 364.409 2.204 0 40 FEAB O=C(COc1cccc(C(F)(F)F)c1)N1CCOC[C@H]1c1ncon1 95981455 LPQAHXGWFKEANO-LBPRGKRZSA-N 357.288 2.067 0 40 FEAB COc1ccc(CNC(=O)COC(=O)C[C@H]2CSCCS2)cc1 89442465 AVXFAWVGZSINEF-AWEZNQCLSA-N 355.481 2.093 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)[C@H](O)c2ccc(O)cc2)c1 110542534 LHMBBLYSXFOQBR-YHBQJITHSA-N 359.422 2.046 0 40 FEAB O=C(NCc1nnc2n1CCCC2)N1CCN(CC2CCCCC2)CC1 67700527 AENUBXNQMZMUFI-UHFFFAOYSA-N 360.506 2.022 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35374822 YXAQONGAXQMECY-RBUKOAKNSA-N 357.498 2.291 0 40 FEAB CCn1nc(C)c(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)c1C 72241653 ZICJZPAQBVOXTQ-ZWKOTPCHSA-N 374.416 2.196 0 40 FEAB CCn1cnc2c(NCc3ccccc3CN3CCC[C@H]3CO)ncnc21 541935531 WURLRZLFDCYUAL-KRWDZBQOSA-N 366.469 2.415 0 40 FEAB O=C(O)c1cc(S(=O)(=O)N[C@H]2CCCOc3cc(F)ccc32)c[nH]1 567794465 XWZBUDNTPDCLFJ-LBPRGKRZSA-N 354.359 2.044 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)nn1 77197905 ZJRQAGOIXDOVLU-NSHDSACASA-N 372.429 2.493 0 40 FEAB CCc1nsc(N2CCCN(C(=O)Nc3ncc(OC)s3)CC2)n1 562281131 NMDLTVRVRJCSGY-UHFFFAOYSA-N 368.488 2.310 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)C(=O)O)cc1 218630380 ZHUZNAAJMSGAJY-LZLYRXPVSA-N 363.410 2.104 0 40 FEAB COc1ccc(OCC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 72393774 DTUAJWXRKZKJLQ-UHFFFAOYSA-N 367.409 2.147 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1 225404732 ZZMKBLAKBDDPQG-MRXNPFEDSA-N 351.410 2.089 0 40 FEAB Cc1cc(NC[C@@H]2CCO[C@H]2c2cnn(C)c2)nc(-c2cccnc2)n1 569938155 SUDGNDMBHZOTDU-KBXCAEBGSA-N 350.426 2.770 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)n1 225398663 OBQQNKHLUYNPLB-ZDUSSCGKSA-N 369.450 2.446 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226086744 HJCLGZMBLNXYEJ-CYBMUJFWSA-N 356.488 2.305 0 40 FEAB Cn1cc(CC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c2ccccc21 49482828 SZVKWEIBQGTKAL-UHFFFAOYSA-N 374.404 2.187 0 40 FEAB Cn1cccc1-c1noc(CNC(=O)c2ccc(Cn3ccnc3)cc2)n1 225764871 KONWDFBTZNNQOB-UHFFFAOYSA-N 362.393 2.250 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)n2cc(C(=O)OC)c3ccccc32)c1 222643781 BYVIHGHEGNGNTI-UHFFFAOYSA-N 373.386 2.452 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 227206067 MZGSRJKLQJEMBE-CABCVRRESA-N 367.515 2.434 0 40 FEAB CCCCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1 222675836 GROXVGKJVIXFFV-UHFFFAOYSA-N 371.437 2.162 0 40 FEAB COc1ccc(CN2C[C@H]3CN(Cc4cccnc4)CCN3C2=O)cc1 85436191 KMZYYPXIIZIAPI-GOSISDBHSA-N 352.438 2.212 0 40 FEAB biogenic,in-vitro Cc1cc(CNC(=O)CCCc2ccccc2)nc(N2CCOCC2)n1 224226281 NELWLBRSDWDHCN-UHFFFAOYSA-N 354.454 2.261 0 40 FEAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 96056402 GZPNVDZKDFZUIB-KZNAEPCWSA-N 350.434 2.052 0 40 FEAB CC(C)Cn1nc(CC(=O)NCc2ccncc2)c2ccccc2c1=O 95477426 KTPHUQHYFVZQSC-UHFFFAOYSA-N 350.422 2.306 0 40 FEAB CC(C)N1CCc2ncn(C)c2[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 96147158 SPAULJPESNWZKN-HXUWFJFHSA-N 367.497 2.077 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NC2CCOCC2)c1 257274085 NJLHKKRBASGDCL-UHFFFAOYSA-N 353.422 2.294 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 257253859 KANXGVAAOFYPFP-CYBMUJFWSA-N 351.410 2.050 0 40 FEAB O[C@@H](CN[C@H]1CCN(c2ccc(Cl)cc2F)C1)COC1CCOCC1 629606555 IRGPUFQLZZBBLG-GJZGRUSLSA-N 372.868 2.204 0 40 FEAB Cc1noc(CN2CCCC[C@H](NC(=O)c3cccc(C)c3C)C2=O)n1 643927857 MZYOOZXONIQFAU-INIZCTEOSA-N 356.426 2.306 0 40 FEAB CC1(C)CN(C(=O)NCCC2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 644206659 HPDOYBOJKVUFGV-INIZCTEOSA-N 365.499 2.389 0 40 FEAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 100354927 XKUKRFJMBGKQEU-RHSMWYFYSA-N 352.321 2.261 0 40 FEAB biogenic Cn1cnc(C(=O)N2CC[C@@H](OCC3CC3)[C@H](Cc3ccccc3)C2)n1 585113505 UHYBAZQTLVJOIW-QZTJIDSGSA-N 354.454 2.315 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2c(C)oc4ccccc24)C3)o1 685941354 QOLSXNZYJCPENG-DJJJIMSYSA-N 353.378 2.473 0 40 FEAB O=C(NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 56515467 MBSJNSFLRLVZDE-UHFFFAOYSA-N 373.478 2.293 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)nc1 1615154663 GZJWFFZYIUZCSD-HXUWFJFHSA-N 369.396 2.177 0 40 FEAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 8113344 YZBWYZCUASIZMC-NTEUORMPSA-N 363.391 2.469 0 40 FEAB Cc1ncccc1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 12086065 RBOYXGMYWLHNFN-FNXXIHLHSA-N 362.433 2.424 0 40 FEAB Cc1cc(NC(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)nn1C 12086818 DFJONGDBZOAKNS-UHFFFAOYSA-N 368.437 2.418 0 40 FEAB Oc1cc([C@@H]2CCN(CCc3ccccc3)C2)nc(N2CCOCC2)n1 12365912 QZMPMEXJLIBCIL-QGZVFWFLSA-N 354.454 2.051 0 40 FEAB COc1ccc(NC(=O)CSc2nc(O)c(CC(C)C)c(=O)[nH]2)cc1 13453806 LJXUNQWZVKCGAW-UHFFFAOYSA-N 363.439 2.413 0 40 FEAB O=c1c(CN2C[C@H]3CCCN3C[C@@H]2CCO)coc2ccc(Cl)cc12 19345962 BYJHPQROYMJSIS-CVEARBPZSA-N 362.857 2.477 0 40 FEAB COc1cccc(-n2nnc(C(=O)N[C@H](C)Cc3ccccn3)c2C)c1 19557742 LAEVKDGDGJZKHW-CYBMUJFWSA-N 351.410 2.340 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19559078 AQHHVRUZIBNZKE-GFCCVEGCSA-N 372.856 2.414 0 40 FEAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 225505776 PBAIKTYXZPCABK-CYBMUJFWSA-N 371.441 2.093 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 3595765 HLVMUALABYTKFR-HXPMCKFVSA-N 357.410 2.328 0 40 FEAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888850039 XZNWVXYFNHJTJO-KBPBESRZSA-N 353.401 2.097 0 40 FEAB Cc1cccc(OCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 13714658 LLCIBPMLEOIKSS-UHFFFAOYSA-N 368.433 2.414 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061856 ZBLBLPZTBNNMJH-GFCCVEGCSA-N 372.874 2.033 0 40 FEAB O=C(O)COC(=O)COC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 2060993555 SKVPCHVIDMNWMT-UHFFFAOYSA-N 366.272 2.122 0 40 FEAB CC1CCC(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)CC1 1565544851 STWJIVZXGSYQJH-UHFFFAOYSA-N 358.486 2.067 0 40 FEAB COc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)c1 10220965 JXBLTXOOEIYZJU-UHFFFAOYSA-N 367.405 2.077 0 40 FEAB C[C@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccon3)CCCC2)s1 225684873 MFVLIWHAEQGLOI-NSHDSACASA-N 363.439 2.356 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3cccnc3)=NC2=N1 940740 PKPXRDCCBHOVSV-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB Cc1cc(=O)[nH]c(SCc2nc3ncccn3c2Br)n1 19790465 PCAJUEPABCGDBG-UHFFFAOYSA-N 352.217 2.176 0 40 FEAB O=C(Nc1cc(-c2cccs2)nn1CCO)[C@@H]1COc2ccccc2O1 42384585 RJDHEVKYRXGZNK-HNNXBMFYSA-N 371.418 2.382 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70968849 LDZPVDVBDFOLMP-FQEVSTJZSA-N 372.852 2.370 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 40068836 ZNKYMOZSQWDVAB-FZMZJTMJSA-N 367.243 2.097 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccc(Br)s2)cn1)NC1CC1 40231988 STDDXHNGWKEJOZ-UHFFFAOYSA-N 369.244 2.238 0 40 FEAB COc1ccccc1NC(=O)NC[C@]1(N2CCOCC2)CCSC1 31095313 UKPXTMLWHAMALC-QGZVFWFLSA-N 351.472 2.025 0 40 FEAB O=C(NCCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 32908545 OSZMENXKNWALBI-UHFFFAOYSA-N 367.327 2.183 0 40 FEAB O[C@H](COCc1ccc(Cl)cc1)CN1CCN(C[C@@H]2CCCO2)CC1 22038579 SVHIHORYHJCBMG-OALUTQOASA-N 368.905 2.014 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2ccc(-n3cncn3)cc2)ccn1 47014283 OVCVIAYAXQFIPL-UHFFFAOYSA-N 359.393 2.086 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CCCN(c2ncccn2)C1 47100987 ARJMAGODAZHRJY-CQSZACIVSA-N 355.398 2.038 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)c1cccs1 77184977 CUWDFYPJNCKQKZ-MRXNPFEDSA-N 368.842 2.373 0 40 FEAB O=C(O)CC[C@@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 2700773 ICUZCWOFVITVBP-CZUORRHYSA-N 370.405 2.063 0 40 FEAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3549094 IJKZNSBUZOPCSV-APPDUMDISA-N 351.834 2.268 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)c1c[nH]c2ccccc12 4497362 QAWJHDAEEUANID-ZDUSSCGKSA-N 365.364 2.411 0 40 FEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 6305664 YSINIBFGKBGLPS-NEYJZJCJSA-N 363.369 2.216 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859665 ZALADGZYGWYOKW-UHFFFAOYSA-N 365.436 2.182 0 40 FEAB COc1ccccc1CCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7429398 RGGYNMKLVSWJDX-UHFFFAOYSA-N 369.373 2.385 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422756 OVMIUEOSIXTGTL-GFCCVEGCSA-N 371.462 2.050 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1=O 54224800 QGFOHWXMOHHJIB-UHFFFAOYSA-N 373.388 2.061 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)c(C)s1 179962983 BBTSUNNRTCYGAC-UHFFFAOYSA-N 367.496 2.393 0 40 FEAB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@H]1N2C(=S)SC 100416600 SMMQRRVKRYCIDI-KIQLNVJJSA-N 353.465 2.173 0 40 FEAB COc1ccccc1N1CCN(CN2C(=O)c3ccccc3C2=O)CC1 25326202 FDWUEVCIKLJNJE-UHFFFAOYSA-N 351.406 2.071 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CNc1cccc(-c2nnnn2C)c1 25705512 RIWMGDJESZJONE-ZDUSSCGKSA-N 366.425 2.175 0 40 FEAB O=C(NCc1nnc2ccccn12)Nc1cccc(C(=O)N2CCCC2)c1 44141367 BESMBJHPKBLBJH-UHFFFAOYSA-N 364.409 2.287 0 40 FEAB CCS(=O)(=O)N1CCC(c2nnc(-c3ccc(OC)cc3)o2)CC1 21368428 SMVWXNWRYPRJCY-UHFFFAOYSA-N 351.428 2.274 0 40 FEAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 10024480 QJZKRPMCKOXISQ-GOSISDBHSA-N 357.435 2.174 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@@H]2CC)c1=O 57477465 KBYIMEKZJVNOCW-HNNXBMFYSA-N 357.454 2.364 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)s2)ccc1C 12605761 BXDCIIJROXNBPL-UHFFFAOYSA-N 360.482 2.074 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCc1ccccc1)c1ccccc1 58208771 OOBYMGPYYBQPIA-GOSISDBHSA-N 363.417 2.027 0 40 FEAB O=C(CCN1C(=O)CCC1=O)NCC1(c2c(F)cccc2F)CCCC1 58218907 FMMJBGALOUVTJW-UHFFFAOYSA-N 364.392 2.432 0 40 FEAB O=S(=O)(Cc1ccccc1)NCc1ccccc1CN1CCOCC1 12735234 QSASUJDXICUAIV-UHFFFAOYSA-N 360.479 2.138 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 28037524 YOWDSOUPUXAXQF-UHFFFAOYSA-N 369.402 2.490 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12 12778835 YXMIGIDGAPWCHT-UHFFFAOYSA-N 373.416 2.310 0 40 FEAB Cn1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1=O 28507648 FJXOWBYULFFXMS-UHFFFAOYSA-N 351.362 2.161 0 40 FEAB CC[C@H](Sc1nnc(NCCOC)s1)C(=O)Nc1cc(C)on1 12878721 YNLFBFDPFKORLE-VIFPVBQESA-N 357.461 2.402 0 40 FEAB O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)N[C@@H]1CCCN(c2ncccn2)C1 63353234 RTDGKLNVIIPBLC-IKGGRYGDSA-N 355.417 2.440 0 40 FEAB COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1C(=O)O 13393194 AAXZLDGQBXSOJS-UHFFFAOYSA-N 368.389 2.450 0 40 FEAB COc1cc(NC(=O)c2nccnc2C(=O)O)ccc1NC(=O)C(C)C 71281515 FNRKBDJJVDLKAY-UHFFFAOYSA-N 358.354 2.030 0 40 FEAB COc1cccc(NC(=O)[C@@H](NCCN2CCOCC2)c2ccccc2)c1 83973592 CLLBWBVWZSXESY-FQEVSTJZSA-N 369.465 2.297 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C)c1ccccc1)C2=O 4287707 FODPRDWOMPXQQY-RDYUPDBUSA-N 357.454 2.407 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccccc3)cc2C1 65196135 VIGISUIHXTXNDE-UHFFFAOYSA-N 350.465 2.131 0 40 FEAB CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 9220746 JMRQHXBCXNAGRV-UHFFFAOYSA-N 352.438 2.499 0 40 FEAB O=C(C1CCN(Cc2nnnn2-c2ccccc2)CC1)N1CCCCCC1 14070441 SLIWXYHDSNKRFE-UHFFFAOYSA-N 368.485 2.277 0 40 FEAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1 14098607 UIOBHIICNLTHNE-RYUDHWBXSA-N 362.442 2.131 0 40 FEAB COC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc2c1CCC2 6662883 MOBQBXQLLCSEEK-UHFFFAOYSA-N 372.446 2.321 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(c2ccccn2)CC1 6882206 CNPBSNKGDMFDFX-UHFFFAOYSA-N 353.422 2.184 0 40 FEAB C[C@H](NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 15842446 VXQIIOZZTWJGRE-ZDUSSCGKSA-N 358.419 2.244 0 40 FEAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCCc1ccccc1 15807305 CXHZJZAOTQBSAV-AWEZNQCLSA-N 364.401 2.432 0 40 FEAB CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1 9447904 RGLZQANQLRTEFD-UHFFFAOYSA-N 364.398 2.335 0 40 FEAB COc1cc(C[C@@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[nH]2)ccc1O 9553521 JYYADJTXVVXLBN-OAHLLOKOSA-N 367.409 2.496 0 40 FEAB CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 18046706 JYKOFCRHZFJVHJ-SFHVURJKSA-N 373.428 2.423 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)C(=O)NC4)CC2=O)c(F)c1 69923545 VZIIZPUJFURNFO-ZDUSSCGKSA-N 367.380 2.369 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F 119900972 IYKFQEVNVMPIOZ-NSHDSACASA-N 372.238 2.127 0 40 FEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1ccccn1 95476999 WKDQUSNKPOWUMQ-HNNXBMFYSA-N 370.844 2.254 0 40 FEAB COc1cc(C(=O)O)cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1OC 95424821 PPJSNTPASCIILO-UHFFFAOYSA-N 368.345 2.496 0 40 FEAB O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 95461205 DGRAJKFNKVUMHZ-JKSUJKDBSA-N 370.405 2.268 0 40 FEAB CN(C)C(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306141935 WKRJVELBCRTTDA-MRXNPFEDSA-N 352.442 2.193 0 40 FEAB COC(=O)C1=C(C)[C@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccc(C)cc1 33690998 REKRNFVTKDMSGE-FQEVSTJZSA-N 357.406 2.320 0 40 FEAB Cn1cc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cn1 71195640 MPIQRQKODYPATN-INIZCTEOSA-N 350.426 2.127 0 40 FEAB COc1ccc(-c2nc(C)sc2C(=O)NCCN2CCOCC2)cc1 72402315 VGAMWZILJLKGNS-UHFFFAOYSA-N 361.467 2.189 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 222863278 XSXODXXNNKELFR-OAHLLOKOSA-N 370.449 2.410 0 40 FEAB O=C(Cn1ccc2ccccc21)NCCn1cnc2ccsc2c1=O 225773130 OOOJVJLQVGKISE-UHFFFAOYSA-N 352.419 2.229 0 40 FEAB Cc1ccc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C 40110910 AOMQKPLLPXXSGZ-HXUWFJFHSA-N 367.405 2.376 0 40 FEAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CC 222978332 SYWPCSSJCROQFB-HNNXBMFYSA-N 350.459 2.365 0 40 FEAB Cc1cc(NC(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)nnc1C 576797603 JKUYREXFDBSBTF-UHFFFAOYSA-N 355.446 2.977 0 40 FEAB COc1ccc(C[C@H]2CN(S(C)(=O)=O)CC[C@H]2OCC2CC2)cc1 96110312 CBMAATSWBARJNI-FUHWJXTLSA-N 353.484 2.314 0 40 FEAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2ccccc2)CC1 96143536 FKGVVEHOBNFYPF-RBUKOAKNSA-N 369.509 2.337 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1 96228989 VIUXFFMLHPCOKF-IBGZPJMESA-N 358.417 2.308 0 40 FEAB COc1ncccc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 96044857 IQJUNFWERCIBJX-CQSZACIVSA-N 358.442 2.236 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C1 245377376 KHVHJELZPKNVPJ-AEFFLSMTSA-N 371.481 2.207 0 40 FEAB Cc1cccc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)n1 247870999 LDUXKKHHDUMWHD-KRWDZBQOSA-N 361.511 2.089 0 40 FEAB O=C(c1c[nH]cn1)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 257331802 XUHPIBCASRYSFB-AWEZNQCLSA-N 363.425 2.433 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C[C@H](O)C1(C)C 257232085 GJISECNTSNTGPT-KRWDZBQOSA-N 359.470 2.004 0 40 FEAB CN(C)c1cccc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257240056 HRWGUJSHHRHOCB-INIZCTEOSA-N 353.488 2.183 0 40 FEAB Cn1ccnc1-c1cc(CC2CCN(C(=O)c3cccnc3)CC2)ncn1 257207027 BGAZSWUEOYUAKT-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)CN2CCCCCC2)ccn1 257203709 ARHAIKICMWZYCG-LJQANCHMSA-N 358.486 2.257 0 40 FEAB Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cn1 618929940 NLFQJCQQUHODGW-WBVHZDCISA-N 367.453 2.305 0 40 FEAB CN(C)C(=O)c1cccc(CN2CCc3c(ncn3C)C23CCOCC3)c1 1775962135 USKJBOHBNKGVMH-UHFFFAOYSA-N 368.481 2.186 0 40 FEAB CN1CCc2cc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)ccc2C1=O 618086353 PWVGFSZTRDDEHE-HNNXBMFYSA-N 369.465 2.434 0 40 FEAB O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 56274314 CNDAMAJXWSSWPZ-GFCCVEGCSA-N 370.858 2.369 0 40 FEAB FC(F)(F)c1ccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)nn1 1776009135 WAKAFITVQQYKHP-UHFFFAOYSA-N 354.336 2.078 0 40 FEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCCS(=O)(=O)C1 95461095 SJFHEPYSQCYJCX-OCCSQVGLSA-N 354.472 2.478 0 40 FEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)cc2F)CC1 85468227 SIYQHGNXTJCZRA-AWEZNQCLSA-N 351.441 2.453 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1C[C@@H]3CCCCN3C1=O)C2 556658859 BOYCYTADFDBHGN-MAUKXSAKSA-N 369.465 2.405 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NC[C@@H]1CCCO1 11895552 CCWKSXOQGYBBCJ-BZPKPHBRSA-N 352.437 2.080 0 40 FEAB Cc1ccccc1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000186 OHHPSTXNAUDYCV-OALUTQOASA-N 367.449 2.321 0 40 FEAB COc1ccccc1OCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 13018656 WMUIHUVAPTZJTA-KRWDZBQOSA-N 356.422 2.458 0 40 FEAB O=C(Cc1ccccc1F)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19348176 VECFBTXOZQDHPY-OAHLLOKOSA-N 354.429 2.210 0 40 FEAB Cn1nccc1C(=O)C1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1 12219893 GOUSTJJHWQTFOM-UHFFFAOYSA-N 357.458 2.186 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037840410 MAAQMPOCTZMXRM-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909080 SINDQQHBIWTFNM-IBGZPJMESA-N 352.450 2.290 0 40 FEAB Cc1nccn1CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912521 NMKBCTFQWXMLRO-IBGZPJMESA-N 361.417 2.153 0 40 FEAB CC(C)N1CC[C@@]2(CN(C(=O)CCF)C[C@@H]2c2ccnn2C(C)C)C1=O 1565556110 NCGDCLGFLGAZOZ-BEFAXECRSA-N 364.465 2.377 0 40 FEAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccn3)n2)cc1 9844432 NHAOFXPPILTEPZ-UHFFFAOYSA-N 364.405 2.134 0 40 FEAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)N1CCCCC1 12231034 NOOCNUWFKFNKQN-UHFFFAOYSA-N 374.412 2.071 0 40 FEAB CCCN1C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)C(C(=O)OC)=C1C 12411060 XROSSRCCQNPHFD-HNNXBMFYSA-N 364.364 2.149 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NCc1ccncc1)CC2 2055739091 KRLMCBVXKMPJSF-AWEZNQCLSA-N 352.394 2.240 0 40 FEAB O=C(Nc1nncs1)C1CCN(C(=O)c2ccncc2Cl)CC1 73021917 XGDSRYROXZXKBW-UHFFFAOYSA-N 351.819 2.077 0 40 FEAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2n1 40068960 TZMYJQKVGGCXAI-UHFFFAOYSA-N 351.410 2.435 0 40 FEAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)n1 40285439 BAEJKOKFWZGXEZ-UHFFFAOYSA-N 352.394 2.114 0 40 FEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 31665560 OWAGYHDIUOJZLQ-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)nc2O)cc1 32778635 ULFWBLQAOMYYBR-UHFFFAOYSA-N 373.394 2.280 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O 1162051 IAPOAPXFTSBLMS-AHEVQNHNSA-N 363.391 2.446 0 40 FEAB Cc1ccccc1OCCn1c(S[C@@H](C)C(=O)O)nc2c(N)ncnc21 1433021 YINQAJKAHKBVMY-NSHDSACASA-N 373.438 2.361 0 40 FEAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC[C@H]1CCCO1 2776632 HDQJQTQSLPMIQS-ZCFIWIBFSA-N 356.142 2.110 0 40 FEAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)C1CC1 3008763 OQQGMBUWZOJUAZ-UHFFFAOYSA-N 351.815 2.303 0 40 FEAB CC(=O)Oc1ccc(-c2ccc(C(=O)NN3CCN(C)CC3)cc2)cc1 3217725 MUGBGVVVOPBOOR-UHFFFAOYSA-N 353.422 2.171 0 40 FEAB O=C1CN(C(=O)COC(=O)CCCOc2ccccc2)c2ccccc2N1 3421462 QKYJRDQBOXAVGT-UHFFFAOYSA-N 368.389 2.374 0 40 FEAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 3487611 OLNNWBFKDOJASH-GFCCVEGCSA-N 368.231 2.354 0 40 FEAB CCN(CC)C(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 4166459 IFVMPGLRWRLWJH-UHFFFAOYSA-N 374.445 2.369 0 40 FEAB COc1ccc(-c2nc(NCc3cccs3)n(S(C)(=O)=O)n2)cc1 4777302 WRHYOQIDWAUABZ-UHFFFAOYSA-N 364.452 2.435 0 40 FEAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c(C)c1 5000109 DLBINGJZBHQZIM-UHFFFAOYSA-N 351.406 2.264 0 40 FEAB CC(C)C[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 5351185 VABQQEZQCVSIKW-YUWJWYLASA-N 369.465 2.252 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 5876301 PETCQWLDLVWXKC-KDOFPFPSSA-N 363.435 2.395 0 40 FEAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)c(C)c1 6390361 XVXVLZSZECKGNN-UHFFFAOYSA-N 357.435 2.294 0 40 FEAB CCn1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cn1 6637182 IUXJZYVSERPECX-KRWDZBQOSA-N 363.425 2.100 0 40 FEAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1 6662118 WESQYFYPCMFMFE-UHFFFAOYSA-N 363.421 2.272 0 40 FEAB COc1ccccc1NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6784727 QLSFJUQCXLNSMA-UHFFFAOYSA-N 365.436 2.182 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCc2ccccc21 6823830 ARAVDVJJGQDXGQ-UHFFFAOYSA-N 361.448 2.124 0 40 FEAB O=C(CSc1ccccn1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6830440 QVUMXVLEJOGQJR-AWEZNQCLSA-N 354.497 2.132 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 7385669 AYTADHFBLUWVKN-UHFFFAOYSA-N 362.333 2.297 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)N(C)C 7501565 JVSINVRBFZDMES-GFCCVEGCSA-N 372.421 2.249 0 40 FEAB COc1ccc2nc(NC(=O)CSc3nc(C)cc(=O)[nH]3)sc2c1 8662588 NZSWUHQDXYOVOS-UHFFFAOYSA-N 362.436 2.427 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 9217175 AENQHMQRMOKMBZ-UHFFFAOYSA-N 363.439 2.082 0 40 FEAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 9262212 YJLKUTDADCMHQD-CVEARBPZSA-N 351.362 2.463 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1nc(-c2ccc[nH]2)cs1 9316400 DHMYTDKBRRDICA-UHFFFAOYSA-N 366.406 2.272 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)c1n[nH]c(=O)c3ccccc13)OCO2 9578227 QPWIJPIQCHVSBQ-UHFFFAOYSA-N 351.318 2.107 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11859902 MJFQMQCKFRMQEL-SVZOTFJBSA-N 363.410 2.330 0 40 FEAB Cc1ccn(CCNC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)n1 12199053 PKPVMGMFAYGFRA-UHFFFAOYSA-N 370.453 2.031 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)cc1OC 12371376 MWXXGCAQZCPRBJ-CHWSQXEVSA-N 371.393 2.429 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)s1 12643422 QXMJWLCJJHGKBH-UHFFFAOYSA-N 370.485 2.167 0 40 FEAB COc1ccc(COC[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 12889608 OVFLVDJLYQSMIX-INIZCTEOSA-N 361.438 2.282 0 40 FEAB CC(C)[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1 12996973 MRXTZQNNSRIZHA-ICSRJNTNSA-N 367.449 2.253 0 40 FEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C)C1 13000069 RDWJNBWHBAQPDL-CZUORRHYSA-N 363.483 2.008 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008860 CNEAKCLKNFDVAJ-JXMROGBWSA-N 360.421 2.024 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 14068463 UWZVDOWVHFZFIY-UHFFFAOYSA-N 370.497 2.159 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(Br)c1 14136340 KVOKSYJEAVHXSP-UHFFFAOYSA-N 365.231 2.172 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14139202 YAVFRBULQAQVJV-IBGZPJMESA-N 361.417 2.241 0 40 FEAB C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cc2ccccc2o1 14184695 STSASXYWYICWHT-GFCCVEGCSA-N 363.373 2.313 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)c3cnc4n(c3=O)CCS4)o2)cs1 14197048 FVGDFZBZWGVJLN-UHFFFAOYSA-N 374.447 2.304 0 40 FEAB CSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 14912437 NMHNOAZWEFATQO-UHFFFAOYSA-N 371.528 2.229 0 40 FEAB CC(=O)N(CCN1C(=O)CSC1=O)c1ccc(Br)cc1 16661283 WTYNPVZKLJKKKN-UHFFFAOYSA-N 357.229 2.497 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)c1OC 19567278 SJEMQJIDANUCGM-LBPRGKRZSA-N 367.409 2.390 0 40 FEAB Cc1nn(CCNC(=O)c2cc(-c3cnn(C)c3C)no2)c(C)c1Cl 19578282 GYBUUHURBPNDIZ-UHFFFAOYSA-N 362.821 2.280 0 40 FEAB Cn1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)n1 19715567 LXFLBRZTKIUKSN-AWEZNQCLSA-N 352.442 2.125 0 40 FEAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1ccc(F)cc1 22075268 MHVMTYRCUUEZCJ-OAHLLOKOSA-N 362.445 2.473 0 40 FEAB Cc1ccc(-c2noc(CCC(=O)NCCN3C[C@H](C)O[C@@H](C)C3)n2)cc1 23111040 ZAPWKSGTHHAPPG-HOTGVXAUSA-N 372.469 2.203 0 40 FEAB CCCN1C(=O)C(=O)N(CN2CCC[C@@H]2c2ccc(OCC)cc2)C1=O 23642227 XANKOWIUHXVUNG-MRXNPFEDSA-N 359.426 2.381 0 40 FEAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(OC(F)(F)F)cc1 32907244 ADJNMEDPYHDVRX-OAHLLOKOSA-N 365.311 2.319 0 40 FEAB Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32996111 HIXFFFPHGQOAFD-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB COc1ccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC 35622936 HRDVPEGYZCNYSZ-GJZGRUSLSA-N 365.474 2.303 0 40 FEAB COc1ccc(C=O)cc1OCC(=O)N1CCN(Cc2ccccc2)CC1 38847292 IQYICURMGMILNS-UHFFFAOYSA-N 368.433 2.231 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 40057637 GKPTVTATBDVKNX-UHFFFAOYSA-N 355.442 2.463 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 40120321 VMPKLASRUQADHI-VQIMIIECSA-N 357.498 2.196 0 40 FEAB Cc1cc(C)n2nc(CC(=O)Nc3ccccc3C(=O)NC(C)C)nc2n1 40133778 OKVIHUVBRQQXCR-UHFFFAOYSA-N 366.425 2.061 0 40 FEAB CCC(CC)N(CCOC)C(=O)/C=C/c1ccc(S(=O)(=O)NC)cc1 40139171 UICBCPUTZRFDLL-FMIVXFBMSA-N 368.499 2.272 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccccc1CN1CCCC1=O 43841767 YLPWBICZXJEGAX-UHFFFAOYSA-N 368.462 2.377 0 40 FEAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)[C@@H](O)c1ccccc1 48091793 CMMLMPAXAPOANN-APWZRJJASA-N 371.485 2.181 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2CCC(c3nnc(C)s3)CC2)cc1 49365637 AJHOFMBLUAVVQA-UHFFFAOYSA-N 374.466 2.451 0 40 FEAB O=C1NCCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1 50633479 LJUSYJDQTFOFFH-CQSZACIVSA-N 371.264 2.436 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCC2 53389808 ARYMQVOOXVKYFB-DYVFJYSZSA-N 350.484 2.024 0 40 FEAB CC(C)NC(=O)CCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 57391167 CJVMMQSWPHUUOS-SFHVURJKSA-N 361.442 2.123 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(C(C)=O)c2)c1C 61720815 SZRLUWSIQMCUBY-UHFFFAOYSA-N 358.394 2.023 0 40 FEAB Cc1noc(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)n1 64851814 LKFSMMSXSXDEAW-UHFFFAOYSA-N 367.409 2.267 0 40 FEAB O=C(Nc1cc(OCc2ccc3c(c2)OCO3)ncn1)c1ccncc1 77199745 PCYFAHNWEIKNBR-UHFFFAOYSA-N 350.334 2.432 0 40 FEAB Cc1c(C(=O)N2CC[C@H](OCc3ccccn3)C2)cnn1-c1ccccn1 84045051 LVPOEVUJWXINEL-KRWDZBQOSA-N 363.421 2.402 0 40 FEAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CN3C(=O)CNC3=O)c2)C1 84689671 BFAKFQLFDKGUGI-XJKSGUPXSA-N 359.426 2.272 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCC(=O)O 95425304 AHXUCNKETQMXCV-OAHLLOKOSA-N 354.834 2.466 0 40 FEAB Cc1ccc2nc([C@H]3CCCN([C@@H](C)C(=O)NC(=O)NC4CC4)C3)[nH]c2c1 95446865 UCSYQELYEMEVNB-KBPBESRZSA-N 369.469 2.427 0 40 FEAB Cc1cnn(C2CCN(C(=O)c3sc(-c4nc[nH]n4)nc3C)CC2)c1 95958618 XRIMIIAVUNEGJE-UHFFFAOYSA-N 357.443 2.219 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96099691 MAYZMYVFCHNLHH-UHFFFAOYSA-N 355.337 2.402 0 40 FEAB Cc1nc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)sc1C 96182864 YJGHYMYWFSEMTL-GJZGRUSLSA-N 363.414 2.436 0 40 FEAB COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96219937 PYOGTYIHNRCMPM-MRXNPFEDSA-N 352.500 2.190 0 40 FEAB CN1C(=O)C(=O)N2c3ccc(Cl)cc3[C@@]3(c4ccccc4)N=C[C@]12O3 102965046 ARVGAFIPEMEJTK-ROUUACIJSA-N 353.765 2.115 0 40 FEAB CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(C)=O 223039029 FBHDBOZUVYIFLB-UHFFFAOYSA-N 351.453 2.240 0 40 FEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCC3)s2)c1 223580134 MDLPHAIVEHWSDU-UHFFFAOYSA-N 366.468 2.320 0 40 FEAB Cc1cc(CNC(=O)COc2nn(-c3ccccc3)cc2Cl)nn1C 227152187 RMAHXQZCXDEUJQ-UHFFFAOYSA-N 359.817 2.263 0 40 FEAB CCn1cc(Cl)c(C(=O)NCCn2c(C)nc3sccc3c2=O)n1 244942719 CWIYVOLTJAEEID-UHFFFAOYSA-N 365.846 2.066 0 40 FEAB COc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1)C[C@]1(CCCN(C)CC1)O2 248080505 PLKTWAMSIWBKKL-WIYYLYMNSA-N 373.497 2.023 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1Cc1c(C)nn(C)c1C 257237663 HHNIUQIGWFRBNT-GOSISDBHSA-N 356.474 2.109 0 40 FEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828833 URXOTIDOIUZAHO-OCCSQVGLSA-N 352.435 2.304 0 40 FEAB O=C(Cc1ccsc1)N1CCC(n2cnc3ncccc3c2=O)CC1 390830143 JBLOLDYRLIDQTJ-UHFFFAOYSA-N 354.435 2.259 0 40 FEAB COc1cccc(/C=C2/NC(=O)NC2=O)c1OCc1cccc(C(=O)O)c1 409060248 YQVDWJREEGSTEL-NTEUORMPSA-N 368.345 2.153 0 40 FEAB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc(C2CC2)ccc1=O 575609006 QUNHTQYOARRUSU-CQSZACIVSA-N 370.428 2.170 0 40 FEAB COc1ccccc1-c1n[nH]c2c1CCN(C(=O)c1csnn1)CC2 585110306 CKHIOMXYLONXQL-UHFFFAOYSA-N 355.423 2.178 0 40 FEAB COCc1cn([C@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)nn1 585149808 ZBTFGNIXEDWVFX-AWEZNQCLSA-N 350.419 2.129 0 40 FEAB CNc1cnc(C(=O)N2CC[C@@H](OC)[C@H](Cc3ccccc3F)C2)nc1 585275601 DXWSZDPQCWKBJC-RHSMWYFYSA-N 358.417 2.377 0 40 FEAB COc1ccc(F)c(CN2C[C@H](CC(=O)N3CCCC3)[C@@H](OC)C2)c1 585279620 WGESCHKXQYVATK-YJBOKZPZSA-N 350.434 2.294 0 40 FEAB Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)C(C)C)CCO2)ccc1Cl 585287155 VBIVLPNLWPVXDH-GOSISDBHSA-N 368.861 2.156 0 40 FEAB C[C@H](NCC1(N2CCOCC2)CCN(C)CC1)c1ccc(C(F)F)nc1 658035542 SYDJJXYITAVZRV-HNNXBMFYSA-N 368.472 2.466 0 40 FEAB CC1(C)OCC[C@H]1CNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 661048597 MVSQNULGJWIISV-AWEZNQCLSA-N 361.421 2.080 0 40 FEAB Cc1c(C(=O)N2CC[C@H](Oc3cnsn3)C2)cnn1-c1ccccc1 675008320 QZHNTGLJNWXTMY-AWEZNQCLSA-N 355.423 2.326 0 40 FEAB C[C@H](C(=O)N1CCOCC2(CCCC2)C1)n1nnc(-c2ccccc2)n1 681280399 HREDLELJEOUXFR-OAHLLOKOSA-N 355.442 2.320 0 40 FEAB C[C@H](NC(=O)c1cnc(C2CCNCC2)[nH]1)c1nc2ccccc2n1C 685941584 DKFLXLVUCLBINX-LBPRGKRZSA-N 352.442 2.254 0 40 FEAB COc1c2c(c(Br)c3c1[C@H](CC(=O)O)N(C)CC3)OCO2 1547138055 UUGSTVWYBSAUEP-QMMMGPOBSA-N 358.188 2.190 0 40 FEAB biogenic O=C(NC1CCCC1)c1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565555122 SPGFYEHKYYUTOF-UHFFFAOYSA-N 369.469 2.249 0 40 FEAB CCCN(CC)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2nnc(CC)o2)cn1 1775957408 SQZHVWPCELPKHF-HUUCEWRRSA-N 373.457 2.211 0 40 FEAB Cc1ccc(=O)n(CC2CN(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)C2)n1 1775967287 KYOSOAJIZWIUHM-INIZCTEOSA-N 355.438 2.094 0 40 FEAB Cc1noc(CN(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)n1 1775970994 LOXREJGZDFAUFE-UHFFFAOYSA-N 354.389 2.295 0 40 FEAB CC(C)N1CC[C@H](N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)C1=O 1776009065 STDIVANJYGTLOD-ZDUSSCGKSA-N 372.391 2.348 0 40 FEAB Cc1nc(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)no1 1888864126 SGDGDIJRNFXEKU-UHFFFAOYSA-N 350.373 2.305 0 40 FEAB O=C([C@H]1CCCN(c2ncc(Br)cn2)C1)N1CCSCC1 1889099165 XBKSPNZWSLHNPQ-NSHDSACASA-N 371.304 2.031 0 40 FEAB NC(=O)[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1 12052029 OCJZDXFKXMNXJU-INIZCTEOSA-N 352.419 2.090 0 40 FEAB O=S(=O)(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCCCC1 84452241 HMGCHQBZELDWIG-KRWDZBQOSA-N 352.456 2.229 0 40 FEAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccc(F)c(F)c1F 23249257 UZWQXBASBBHUIG-UHFFFAOYSA-N 353.344 2.453 0 40 FEAB CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958400 MKOKYSPXBYNZJO-PSASIEDQSA-N 352.412 2.456 0 40 FEAB CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C 104797326 OJNNCSDCDSUWNA-XGERHETISA-N 371.470 2.196 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1nnc2ccccn12 23644910 KWDCDZSZQJPPSO-QGZVFWFLSA-N 361.405 2.310 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 100281213 HAVVUJSTHSRKDL-YBEGLDIGSA-N 351.362 2.232 0 40 FEAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 24267235 WQEUPGQNINNBDB-LBPRGKRZSA-N 360.366 2.176 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c1 25222777 VASAFGDGPSBUCG-UHFFFAOYSA-N 353.422 2.432 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O 25263134 NIBZYWLADMMXGG-RHSMWYFYSA-N 355.438 2.460 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cc(Cl)ccc2OC(C)=O)S1 1410597 DDCYZXPYHCKQBK-HNNXBMFYSA-N 369.830 2.440 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 12543967 UHZSWORKSKPULY-MRXNPFEDSA-N 351.472 2.039 0 40 FEAB CCCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426609 TYTZMSYQSVYSMY-UHFFFAOYSA-N 351.472 2.187 0 40 FEAB S=C(NCCNC(=S)NCc1ccccc1)NCc1ccccc1 3227648 AXNRWQARKULTMM-UHFFFAOYSA-N 358.536 2.315 0 40 FEAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 58280878 ZCQQJIUKNBKPFU-BRWVUGGUSA-N 371.481 2.276 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1)C(=O)C2 55116571 LKOYPGUMWURARQ-BMLIUANNSA-N 367.423 2.228 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)s1 10549077 YATWCHYELDURPA-UHFFFAOYSA-N 367.452 2.008 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 22056622 FCJXLDFVMXBQDF-FUHWJXTLSA-N 361.486 2.492 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108532615 IDDDDGMQATVFLW-HNNXBMFYSA-N 353.426 2.138 0 40 FEAB Cc1nnc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)s1 28965188 NKXQTYGKWLXFAN-UHFFFAOYSA-N 365.216 2.442 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(-n4cccn4)nc3)cnc12 29198931 MBMYRXYLAJUPLC-UHFFFAOYSA-N 374.404 2.314 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C(=O)OC)c1 12868617 IOCMESJLPYZZTH-UHFFFAOYSA-N 363.391 2.085 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)CCOc2ccccc21 12950210 JXKDAPYJIDRUOM-UHFFFAOYSA-N 368.389 2.189 0 40 FEAB Cc1ccc(OCCNC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 12977256 QSXRNZNOISGQBD-UHFFFAOYSA-N 354.406 2.454 0 40 FEAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCCCC1 13878712 IJTOOYUFRYMEQK-UHFFFAOYSA-N 369.450 2.213 0 40 FEAB CC(C)C[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240305 OMRCRRODQMLMIU-ZDUSSCGKSA-N 353.396 2.040 0 40 FEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccnc1S 14080782 ZAKCFBXQXYMZGS-INIZCTEOSA-N 361.442 2.313 0 40 FEAB O=C(NCCOc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 66021089 WANFNNILPMVCDA-UHFFFAOYSA-N 368.364 2.393 0 40 FEAB Cc1ccc(OCCNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1 14711640 LOAILTYFEKZSHW-OAHLLOKOSA-N 354.406 2.304 0 40 FEAB CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCCCC3)c2C(=O)O)CO1 6757511 YCINXGMCDFSGDK-UHFFFAOYSA-N 366.439 2.249 0 40 FEAB Cn1c(=O)c2c(nc3n(C4CC4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 4909631 UIFPMJFWDBSLIF-UHFFFAOYSA-N 369.812 2.342 0 40 FEAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCc2ccccc2C1 7036236 CVCQPRXWDMLTFR-UHFFFAOYSA-N 367.434 2.045 0 40 FEAB Cc1noc(C)c1CCC(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 7146771 FXYPOMLZQBSJOT-CYBMUJFWSA-N 374.393 2.201 0 40 FEAB C[C@H]1CCCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7486599 VXNVDPOFMQUXAV-HNNXBMFYSA-N 365.499 2.284 0 40 FEAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 70666365 UWFGSLFOSRGZIM-RYUDHWBXSA-N 360.366 2.258 0 40 FEAB biogenic O=c1cc(CSc2nnnn2Cc2cccs2)nc2sccn12 9647582 ZULSIERMHPLRPE-UHFFFAOYSA-N 362.465 2.145 0 40 FEAB CCN1CCN(C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 22870455 SCZRCVYAWGCTDO-MRXNPFEDSA-N 350.503 2.370 0 40 FEAB O=C(Nc1c2c(nn1[C@H]1CCS(=O)(=O)C1)CSC2)c1ccccc1 35595013 KYZIWMWFIBBMMN-LBPRGKRZSA-N 363.464 2.242 0 40 FEAB NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408551771 IVNZLFKJNJTFIQ-UHFFFAOYSA-N 374.340 2.370 0 40 FEAB Cn1nc(C2CCN(C(=O)Cc3ccccc3F)CC2)c2nccnc21 72393814 PTEKFZYGBYLEEH-UHFFFAOYSA-N 353.401 2.451 0 40 FEAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1ccc(F)cc1 49009304 GFDONOOQYMRFNV-UHFFFAOYSA-N 363.352 2.336 0 40 FEAB CCc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224312301 VNJDFDZCVDLJKY-UHFFFAOYSA-N 354.458 2.459 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(F)cc4)n3)CC2)c1 75163593 CCFKNNCVAMBCNC-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(O)CCc2ccccc21 75155744 HKFBZURSSSATJU-KRWDZBQOSA-N 367.854 2.461 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1 41096475 JYZGVRUIFWOCMM-UHFFFAOYSA-N 352.843 2.346 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21 96043354 ILFBRYZPUDUQKQ-OWCLPIDISA-N 358.467 2.086 0 40 FEAB O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1 96215331 GFOYTGXQAGPLIO-QUCCMNQESA-N 358.486 2.258 0 40 FEAB O=C(c1ccc(Br)o1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122111 FFCDMHHCHTXYIV-UHFFFAOYSA-N 374.212 2.075 0 40 FEAB CCc1ccc(NC(=O)N2CC[C@@H]3CN(C)S(=O)(=O)[C@@H]3CC2)cc1 96145579 OPTSOGUTODSMBO-GDBMZVCRSA-N 351.472 2.137 0 40 FEAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc1 257264788 LWAKHNXLHHKHCU-GOSISDBHSA-N 350.426 2.392 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 257338246 YWPNEASCQQXSKH-CQSZACIVSA-N 350.426 2.395 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)C1CCOCC1 257200791 AEXNOIFCFXDOAZ-VAMGGRTRSA-N 356.466 2.276 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)NC1CCN(c2ccccn2)CC1 660431348 HUVLZYSODWLJRV-UHFFFAOYSA-N 354.458 2.161 0 40 FEAB CC(C)(C(N)=O)c1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1 685360803 FRTANFFCCBTFOH-UHFFFAOYSA-N 357.197 2.321 0 40 FEAB O=C(c1cc(-c2ccccc2)on1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122065 YXNLBBHWAAGZPW-UHFFFAOYSA-N 372.402 2.374 0 40 FEAB COc1ccccc1-c1cc(C(=O)N2CC(OCC(F)(F)F)C2)n[nH]1 390830819 NRNDGUDWGGDFDY-UHFFFAOYSA-N 355.316 2.489 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc(C)nc3C)C2)cc1 96378059 HQGNZGXBAZSCBO-UHFFFAOYSA-N 366.464 2.067 0 40 FEAB Cc1cc(C(=O)N2CC(F)(F)C[C@@]3(CCN(CC4CC4)C3=O)C2)on1 585093185 HZAIKRNIJODAKO-INIZCTEOSA-N 353.369 2.093 0 40 FEAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H](c2nnc(O)o2)C1 670384187 HKMNKUSQBIJBKW-GOEBONIOSA-N 373.409 2.353 0 40 FEAB O=C(c1cccc(CNS(=O)(=O)c2cccs2)c1)N1CCCC1 56062808 YBWMRCUSBJVWBE-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1nn(C)c(=O)c2ccccc12 5416112 BPKWXPILWZNTSW-WOSRLPQWSA-N 371.437 2.174 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)NC(C)C)C2)on1 12118495 BQKALZRVPOAARU-OAHLLOKOSA-N 357.458 2.452 0 40 FEAB COc1ccc(-n2nc(C(=O)NC3CCCCC3)/c(=N/C(C)=O)s2)cc1 16956933 NDGMAULJOUJIDV-HNENSFHCSA-N 374.466 2.452 0 40 FEAB CC(C)C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccn2)CC1 18250310 FFCXIAQEBGGPOG-MRXNPFEDSA-N 370.453 2.168 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19554182 QFNDMHSAFGSDIA-INIZCTEOSA-N 366.465 2.080 0 40 FEAB O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC(CCN2CCOCC2)CC1 19657038 XWZFWFCHPGUVOW-UHFFFAOYSA-N 369.469 2.046 0 40 FEAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC(C)C)CC2)n1 19697328 VJKLQXROXQSAMO-HNNXBMFYSA-N 373.501 2.216 0 40 FEAB C[C@H]1CCCN(c2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)C1 19717517 ZMLRSKTZWNPIRW-UONOGXRCSA-N 365.437 2.325 0 40 FEAB CCn1c(SCc2nc(N)nc(N(C)C)n2)nnc1-c1ccccc1 11322517 CIRQJKLXRYXYFN-UHFFFAOYSA-N 356.459 2.091 0 40 FEAB Cc1cc(C)c2ccc(N3CCO[C@@H](C(=O)N4CCCCC4)C3)nc2n1 1888844158 RKWDVQCKYTXNTB-QGZVFWFLSA-N 354.454 2.464 0 40 FEAB Cn1c(N2C[C@@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)nc2ccccc21 1888856969 DHWDPXOPBRAIDD-MPGHIAIKSA-N 354.454 2.037 0 40 FEAB O=S(=O)(c1ccccc1F)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888885500 NALWWJROQCZWIR-VXGBXAGGSA-N 353.444 2.039 0 40 FEAB Cc1cc2c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nccn2n1 1889136226 MQJGSPNHKICQQY-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1889139519 OUSKEHQWSCHILC-NSHDSACASA-N 363.405 2.493 0 40 FEAB Cn1cncc1C(=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087132268 VIKTYTPSERQDMA-RISCZKNCSA-N 365.359 2.185 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)OCO2 5314802 DMRGSKQWBFISQZ-UHFFFAOYSA-N 360.391 2.208 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(F)c2)CN1c1ccc(F)cc1 9036441 JBRSOGXRTHBOTF-LBPRGKRZSA-N 366.389 2.296 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 10327240 CBVYEYVVOJSJPV-UHFFFAOYSA-N 351.406 2.152 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 2055835547 CERUMOBOCWPXOS-OAQYLSRUSA-N 364.449 2.440 0 40 FEAB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1 22767125 QCRYFHLWXZTHRH-KRWDZBQOSA-N 365.524 2.015 0 40 FEAB CN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O 12087807 ZWAGBLJJHCPBKT-HNNXBMFYSA-N 352.438 2.001 0 40 FEAB COc1ccc2c(c1)CN(C(=O)CCCN)C[C@]1(CCCN(C)CC1)O2 19588829 FIVVTKVJCPASNN-HXUWFJFHSA-N 361.486 2.010 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCc2c[nH]c3ccccc23)C1=O 20326509 IAIIZGTUTBPXFW-GHRIWEEISA-N 368.437 2.453 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)Cc2ccc3c(c2)OCCO3)ccn1 47014339 JHVBOLXOQAXLMC-UHFFFAOYSA-N 364.405 2.206 0 40 FEAB O=C(c1ccoc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 78508336 ZOKRIXNXRIRTNY-CQSZACIVSA-N 352.387 2.002 0 40 FEAB CCOc1ccc(CNS(=O)(=O)c2cnn(CC)c2)cc1OCC 2804868 KDMSBIYOXRPACI-UHFFFAOYSA-N 353.444 2.179 0 40 FEAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCC(C)C)cc2c1 4131972 FBPIRMWRPBTZAZ-UHFFFAOYSA-N 361.511 2.415 0 40 FEAB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(OC)c1C 6960139 JUCFRVZNPCGJLL-NTEUORMPSA-N 367.361 2.074 0 40 FEAB COc1ccc(CCNC(=O)CN2CCN(Cc3cccs3)CC2)cc1 23251893 XSKLNOFQBKJKEF-UHFFFAOYSA-N 373.522 2.233 0 40 FEAB COc1ccc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 23862011 VFYXLPOBDZPJBZ-UHFFFAOYSA-N 366.351 2.330 0 40 FEAB CCN(CC)CCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O 57742211 HHIIISYDNAOYCE-RTBURBONSA-N 355.473 2.222 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1OC 9063861 PQBJFSHWJCHSOR-UHFFFAOYSA-N 354.472 2.446 0 40 FEAB COCCOc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1OC 25225782 YOVJMKMCKUYFOU-UHFFFAOYSA-N 370.409 2.497 0 40 FEAB CNC(=O)c1cccc(CNC(=O)c2cc(Br)ccc2O)c1 25565447 RKIZBPPEQFZNRT-UHFFFAOYSA-N 363.211 2.444 0 40 FEAB COc1cccc(-c2nnn(CN3CCN(c4ccccc4)CC3)n2)c1 57338611 VXWSPLVRFHIOSS-UHFFFAOYSA-N 350.426 2.128 0 40 FEAB CN(CCOc1ccccc1F)C(=O)CN1C(=O)COc2ccccc21 58269491 FGYRCCFTAOGCFI-UHFFFAOYSA-N 358.369 2.089 0 40 FEAB Cc1ccc(OC[C@@H](O)Cn2nc(N3CCOCC3)sc2=S)cc1 58109588 RYRFFNQSJVVCDK-ZDUSSCGKSA-N 367.496 2.259 0 40 FEAB Cc1cccc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1C 58183633 AWADSCJQVDGWJJ-UHFFFAOYSA-N 357.439 2.295 0 40 FEAB COc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(CC(C)C)no1 58180051 RPXIJUDFQOHVFN-UHFFFAOYSA-N 374.441 2.361 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)s1 58217630 SEOBPOZBFWTCES-UHFFFAOYSA-N 372.446 2.426 0 40 FEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@H](O)C2)nc1 36264055 PECZXRBCVDGNLB-INIZCTEOSA-N 361.467 2.258 0 40 FEAB O=C(NCCc1ccco1)C1CCN(C(=O)COc2ccccc2)CC1 58434364 KUUODWPNTVWVIE-UHFFFAOYSA-N 356.422 2.256 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)OCO2 10721478 AYBYOIPDBQXHIU-UHFFFAOYSA-N 358.375 2.051 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2CC)CC1 24562990 QNDSOUYVSKGKGH-UHFFFAOYSA-N 374.416 2.488 0 40 FEAB CCCNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3314245 LAKFFGBPPZCTGI-UHFFFAOYSA-N 351.406 2.008 0 40 FEAB O=C(CCC(=O)N1CCN(c2cnccn2)CC1)c1ccc2c(c1)CCC2 11545887 NFCTUZGPHZIJBS-UHFFFAOYSA-N 364.449 2.277 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)CCS(=O)(=O)c2ccccc2)c1C 12818855 CWVMECVAUTYMGS-UHFFFAOYSA-N 374.462 2.222 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)n1 48403623 ZXUDRXVAUCQNFF-CJNGLKHVSA-N 358.442 2.150 0 40 FEAB CNC(=O)c1nn(CN2CCc3sccc3[C@H]2C)c(=O)c2ccccc12 14093836 YNUBPZWAISMFLX-GFCCVEGCSA-N 368.462 2.394 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c[nH]nc1-c1ccc(OC)cc1 4741721 XQJDUOLYXZPXCH-INIZCTEOSA-N 356.382 2.276 0 40 FEAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 407970681 CQBDNIMVVAQZJG-BBWFWOEESA-N 366.483 2.044 0 40 FEAB COC(Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O)OC 4858060 VZEMKNSAYWYCTL-UHFFFAOYSA-N 352.188 2.259 0 40 FEAB C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)N[C@H](C)c1ccc(F)cc1 7007659 SIRYBTOMCZBOSX-ZIAGYGMSSA-N 364.417 2.337 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1C 7423662 BJRMVYJBZWZOMS-UHFFFAOYSA-N 368.480 2.321 0 40 FEAB Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(N)(=O)=O 8009954 TWASQBHUWGLLOE-UHFFFAOYSA-N 364.398 2.383 0 40 FEAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 8073336 GNHSYJORAGALEP-UHFFFAOYSA-N 352.437 2.253 0 40 FEAB COc1ccc(NC(=O)CN2CCC[C@@H](C3OCCO3)C2)cc1Cl 69232421 ISTFNFWJXQKOQY-GFCCVEGCSA-N 354.834 2.372 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 8427712 VUESBFKUHXRGGJ-SFHVURJKSA-N 354.454 2.055 0 40 FEAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1N 9752022 GWNIBJNZWXQLON-MRVPVSSYSA-N 361.320 2.067 0 40 FEAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc2cccnc12 97013015 TUPFXJODXOHLGA-OAHLLOKOSA-N 357.439 2.089 0 40 FEAB Cc1ccc(CN(C(=O)CN2CCOC[C@@H]2c2c(C)n[nH]c2C)C2CC2)o1 95452026 RFEKECIYYIRYDP-GOSISDBHSA-N 372.469 2.492 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 22432033 JGXGTLBNLVIFKO-CQSZACIVSA-N 362.451 2.339 0 40 FEAB Cn1ncc2c(N3CCN(c4nc5ccccc5s4)CC3)ncnc21 23618879 HEUBFBASQCRXPQ-UHFFFAOYSA-N 351.439 2.300 0 40 FEAB O=C(NC1(CO)CCOCC1)c1csc(-c2c(F)cccc2F)n1 546913684 FYZFWCFDYHVOBQ-UHFFFAOYSA-N 354.378 2.360 0 40 FEAB C[C@@H](Cc1ccncc1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 547486135 GRQXKNMMWIOULX-AWEZNQCLSA-N 359.451 2.012 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1 1557847462 ZUYNCMHBYDPNFV-QGZVFWFLSA-N 355.438 2.428 0 40 FEAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n[nH]cc2c1 530834485 MSXUQTALNVNOKH-SFHVURJKSA-N 361.405 2.131 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc(-c2cccnc2)cs1 71283501 UDNPCIDIWNHJAH-UHFFFAOYSA-N 367.434 2.279 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 35088658 YYURVCYQHWNCOP-GVDBMIGSSA-N 356.507 2.353 0 40 FEAB N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 567981543 OLEULOGPMGFVCK-INIZCTEOSA-N 366.421 2.173 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 218393045 TWABFINPXPMDFF-IAGOWNOFSA-N 364.898 2.492 0 40 FEAB C[C@H]1CCn2ncc(C(=O)N[C@H](C)c3ccc(OCC(=O)O)cc3)c2C1 563889380 SHVHCJCXVCAHJG-QWHCGFSZSA-N 357.410 2.420 0 40 FEAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cn(CC(N)=O)c2n1 49002129 BBHGZDOHYGHSNM-UHFFFAOYSA-N 364.405 2.059 0 40 FEAB C[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N1CCN(C)CC1 134263150 MWUKGMLOHLDCQD-LLVKDONJSA-N 365.890 2.433 0 40 FEAB O=C(Cn1cnc(-c2ccccc2)n1)N1CCNC[C@@H]1c1cccc(F)c1 574150874 PXGLSDOEDNDPBK-GOSISDBHSA-N 365.412 2.257 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCc1c(OC)cccc1OC 223753009 ZIGLVRLWVCQLQN-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB O=C1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CCN1 40017179 RQESACWQXXMWIT-UHFFFAOYSA-N 372.734 2.117 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)nc(C)n3C)c2ccccc2O1 225892915 SFQJSUMVCBVEDZ-SFHVURJKSA-N 365.389 2.463 0 40 FEAB O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccccc1Cl 77115551 OSUUDECSARCNNH-CYBMUJFWSA-N 352.843 2.258 0 40 FEAB COc1ccc(C(=O)CNC(=O)[C@H](C)N2Cc3ccccc3C2=O)cc1 96115355 GGRWHGOKJXNZQY-ZDUSSCGKSA-N 352.390 2.039 0 40 FEAB biogenic CC(C)NC(=O)[C@@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96078622 NERSGMLTTAZRCT-KRWDZBQOSA-N 359.470 2.149 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224356 VFSOBRDOBYNELB-FQEVSTJZSA-N 352.438 2.075 0 40 FEAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 96077186 QLICXXJLDKXAMH-UHFFFAOYSA-N 368.481 2.231 0 40 FEAB Cc1ccsc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(C)CC1)CO2 96220832 OGOKGFNDNUULIT-INIZCTEOSA-N 363.527 2.068 0 40 FEAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(Cc1cccc3[nH]ccc13)C2 248064846 ZQQMHWFOEZQNCE-OAHLLOKOSA-N 359.495 2.333 0 40 FEAB O=C(C1CCCCC1)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257203896 ASCXGXFENFMVEY-MRXNPFEDSA-N 368.441 2.490 0 40 FEAB O=C(CN1CCCC1)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257213702 CISKYNIHKBJTEM-SFHVURJKSA-N 367.453 2.216 0 40 FEAB O=C(Cc1ccccc1F)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257230212 GBIHCOHFGDJSCC-KRWDZBQOSA-N 356.388 2.063 0 40 FEAB CCc1cc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)no1 257235889 GZZJDVOKMHASTK-MRXNPFEDSA-N 358.442 2.172 0 40 FEAB CN(CCN1CCCCC1=O)c1ncnc2c1Cc1ccccc1OC2 96140220 WLSZNABAJBGEAD-UHFFFAOYSA-N 352.438 2.409 0 40 FEAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1cc(C)n(C)n1)CC2 652453588 WPQLJVQYDLVNGK-MRXNPFEDSA-N 359.426 2.320 0 40 FEAB O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)C1CCN(c2cnccn2)CC1 653329623 YFEZKSJYHRQQFJ-IAGOWNOFSA-N 366.421 2.122 0 40 FEAB CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(=O)N(C)CC2)N(C)C)cc1 664907798 VSQKIFIHDRAKIF-IBGZPJMESA-N 374.529 2.362 0 40 FEAB COc1ccccc1N1CCN(c2ncnc3c2CCNC3)CC1(C)C 67788948 LKXGNNFLEXHYIP-UHFFFAOYSA-N 353.470 2.236 0 40 FEAB O=C(Nc1cccc2cccnc12)C1CN(c2cc(-n3ccnc3)ncn2)C1 390829426 YOLBMBFWKLEWQO-UHFFFAOYSA-N 371.404 2.285 0 40 FEAB CCN(C(=O)c1cnc(C(=O)O)cn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 578890685 UAIXMVWNFYJICT-GOEBONIOSA-N 368.437 2.472 0 40 FEAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1cccc(C(=O)O)c1 669505121 GQZIUJNNDNLNPO-CQSZACIVSA-N 358.398 2.334 0 40 FEAB CN1CCC[C@H](NC(=O)CCCn2cncn2)[C@@H]1Cc1cccc(F)c1 585280698 NKLBGCHCOJYNQD-ROUUACIJSA-N 359.449 2.019 0 40 FEAB CCN1Cc2ccccc2CC2(CCN(C(=O)OCCOC)CC2)C1=O 585105710 FXLNFXJFWSBPGI-UHFFFAOYSA-N 360.454 2.456 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3C2)n(C)n1 585111679 FHOXQHINENDUGV-OKILXGFUSA-N 371.485 2.393 0 40 FEAB CCc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 50554902 MQKAVHHQBWQJFR-LLVKDONJSA-N 367.496 2.495 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](c2ccccc2F)c2nccn2C)C1 641950147 GLJDFLVGFUMGGB-CZUORRHYSA-N 366.462 2.215 0 40 FEAB C[C@]12CCC[C@](CO)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 14812202 DWSHSMIESAAXBC-SMYUGJJSSA-N 352.471 2.180 0 40 FEAB biogenic,in-vitro O=C(NCCn1ccnc1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595960 VVPCRDZCVUYMSC-HBFSDRIKSA-N 366.465 2.091 0 40 FEAB CSc1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cn1 12121918 WJRZRNMSOAEINR-UHFFFAOYSA-N 366.450 2.314 0 40 FEAB COc1ccc(-c2cc3nc(Cn4cccn4)cc(O)n3n2)cc1OC 19561553 CVOYAYNIIOTGGF-UHFFFAOYSA-N 351.366 2.364 0 40 FEAB CN(C)c1ccc(CCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 19657104 SBJFVJSZDHUOML-SFHVURJKSA-N 353.422 2.201 0 40 FEAB Cn1c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)nc2ccccc21 19715562 KEIKFQMQWUFFOY-INIZCTEOSA-N 363.465 2.464 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)ncc1C(N)=O 19754498 UYKZWDGQGKDZLZ-HNNXBMFYSA-N 370.428 2.362 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc3nc(O)oc3c2)cc1OC 19936503 SLJXPMGKEMXSJB-UHFFFAOYSA-N 364.379 2.029 0 40 FEAB CN=c1cc([C@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)cc[nH]1 607854415 SDYHLFJCQLFRKU-GOSISDBHSA-N 353.470 2.126 0 40 FEAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1ccc2[nH]ccc2c1 1888888263 GRWHUUWBJWWLGS-UHFFFAOYSA-N 350.300 2.173 0 40 FEAB O=C(c1cnco1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037983740 DLWUAYUTYMGRBN-IBGZPJMESA-N 355.394 2.103 0 40 FEAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565552759 WCEIUYJOZCLBMV-QUCCMNQESA-N 354.454 2.305 0 40 FEAB O=C(CCc1ccccc1F)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055750848 DVFROGNIXAMQSP-VQTJNVASSA-N 369.440 2.265 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NCc1ccccn1)CC2 2055738999 GIOKADMOVZWPTK-ZDUSSCGKSA-N 352.394 2.240 0 40 FEAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCc1ccccn1 23230975 KQPBQVHBEIOZSM-UHFFFAOYSA-N 354.797 2.275 0 40 FEAB CC(C)[C@H](Cn1ccnn1)NC(=O)COc1cccc2c1OC(C)(C)C2 575617604 YAWJDPLTJWBVKD-HNNXBMFYSA-N 358.442 2.211 0 40 FEAB Cc1cc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)on1 40153366 ZLVFXIAJTJTALD-UHFFFAOYSA-N 356.455 2.214 0 40 FEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccco1 32873755 PAUJLJPNNUGWFP-MSOLQXFVSA-N 367.449 2.275 0 40 FEAB O=C(NCCNC(=O)c1cc(F)ccc1Br)c1ccco1 23041659 TZCJGEPRSQPUBC-UHFFFAOYSA-N 355.163 2.341 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 7553609 AADYMTUXTHCQMP-HNNXBMFYSA-N 361.467 2.134 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 7939715 AQPVIZYMPVNDBI-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB COc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccs3)NN21 940754 NKZCROLARIDGRU-HNNXBMFYSA-N 367.434 2.194 0 40 FEAB CNC(=O)C1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 54364215 RBJBAMWJEHJTFS-UHFFFAOYSA-N 352.485 2.022 0 40 FEAB CCc1nnsc1C(=O)NCC(=O)Nc1ccc(Br)cc1 55548882 GCSAUYACBVNHQW-UHFFFAOYSA-N 369.244 2.232 0 40 FEAB CN(C(=O)Cc1ccc(NC(=O)[C@H]2COCCO2)cc1)c1ccccc1 55766154 LCZRZLQFOJOCGH-GOSISDBHSA-N 354.406 2.246 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1 9884568 CLEWIPCRVFHHBB-UHFFFAOYSA-N 352.398 2.133 0 40 FEAB CNC(=O)COc1cccc(NC(=O)c2cncc(Br)c2)c1 26981686 QYWHOEVATZTNPZ-UHFFFAOYSA-N 364.199 2.221 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 58181619 HCMGXCZOAUNGTH-AWEZNQCLSA-N 374.510 2.417 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H]1c1ccc(O)cc1 58224823 VPJSATULTVQVEA-SFHVURJKSA-N 374.462 2.424 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 108827701 UTCBQWUOSZRQIL-BHDSKKPTSA-N 350.415 2.015 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 58341777 FUHKOLUNYKMEPT-UONOGXRCSA-N 353.260 2.489 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)CCS(=O)(=O)C2CCCC2)oc1C 48146242 CRBZQEUTLMHGFS-UHFFFAOYSA-N 371.455 2.081 0 40 FEAB C=Cn1ncc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1C 100121072 WGNPUFVTQRQSTF-VQIMIIECSA-N 366.469 2.180 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 28200904 HRCVWQVCAGJILW-KRWDZBQOSA-N 372.465 2.458 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 12782401 VAAJDAPANHBKRK-SNVBAGLBSA-N 351.476 2.453 0 40 FEAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 100690648 VKJFSKWYIOSLST-YRXWBPOGSA-N 371.396 2.284 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1N1CCCC1 12775649 MGUCUHZMMDATEF-UHFFFAOYSA-N 367.405 2.384 0 40 FEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)no1 36451892 QZIOALXXSQDXSQ-UHFFFAOYSA-N 362.817 2.033 0 40 FEAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ncccn2)c(C)c1 11368254 ZUBIGIRLZNPNIS-GFCCVEGCSA-N 355.427 2.188 0 40 FEAB O=C(CSc1ccncc1)NCc1ccc(CN2CCOCC2)cc1 29715116 MKBBNLFSCMDPJK-UHFFFAOYSA-N 357.479 2.322 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C)C1=O 12775638 CLBHORFECBZHGW-OAQYLSRUSA-N 365.433 2.469 0 40 FEAB CN(CC(=O)OCC(=O)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 3331678 LVKJGIMQLHFVNL-UHFFFAOYSA-N 361.847 2.119 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12915962 GKJNYTHEENXXPM-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2cccc(Cl)c2)CC1 13039009 SBBJIOXCFKOSDL-OAGGEKHMSA-N 365.905 2.486 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](c2nnc3ccccn23)C1 13686055 DCDNCRVXWMNCGR-CYBMUJFWSA-N 360.414 2.437 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)c2ccnc(N3CCOCC3)n2)c(C)c1 95467685 KFOASKAIJFDDIQ-UHFFFAOYSA-N 369.469 2.313 0 40 FEAB CC(=O)Nc1ccc(C(=O)CSc2nnc(NC(C)=O)s2)cc1 13942934 ARILIQPGIWQLAI-UHFFFAOYSA-N 350.425 2.430 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1 6406297 FHDLORKYMUMGOT-UHFFFAOYSA-N 353.172 2.419 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc2c(c1)OCCO2 14167956 IEIPVHBMIGWAEN-UHFFFAOYSA-N 366.417 2.444 0 40 FEAB C[C@H](NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccccc1F 21895543 MOEXIMZLXQTXEL-LBPRGKRZSA-N 355.369 2.369 0 40 FEAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7057753 DUQZMHPTOFUXHD-CYBMUJFWSA-N 365.389 2.093 0 40 FEAB Cc1ccccc1CCNC(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 7211770 HPSALRPQUXWZCF-UHFFFAOYSA-N 364.401 2.352 0 40 FEAB Cc1nc(C)c(C(=O)OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1 9479676 QCJNHAHRKRVMHT-UHFFFAOYSA-N 361.423 2.364 0 40 FEAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 7781445 WORPGCVDDMZRJQ-SFHVURJKSA-N 365.393 2.472 0 40 FEAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCCC2)C1=O 8313497 ZSROHSPHTWXPFI-HXUWFJFHSA-N 351.406 2.229 0 40 FEAB CNS(=O)(=O)c1cccc(NC(=O)NCc2cccc(F)c2)c1C 89540458 CRVBHVDHWCUXTO-UHFFFAOYSA-N 351.403 2.364 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC23CCCCC3)cc1 75103746 SBRAQFKXHPAYQC-UHFFFAOYSA-N 365.499 2.284 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCOCC(=O)N3CCCC3)C2)o1 306138943 SLHPFEZYGCVLGX-SFHVURJKSA-N 372.469 2.371 0 40 FEAB O=C(C(c1ccccc1)c1ccccc1)N1CC(CN2C(=O)CCC2=O)C1 675007961 HMSSEDNKYAVOTK-UHFFFAOYSA-N 362.429 2.426 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218389397 UCSKFHALXUPKEV-HOTGVXAUSA-N 352.839 2.251 0 40 FEAB Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 79438660 LDBYOVLWFZJNQL-LLVKDONJSA-N 354.428 2.203 0 40 FEAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1COc2ccccc2O1 70762264 GHDJJUVLJRFWKU-WBVHZDCISA-N 367.323 2.393 0 40 FEAB Cc1ccc(NC(=O)C[S@@](=O)c2nnc(Cc3ccccc3)n2C)cc1 35683083 YJPJSLCMAFOBPR-SANMLTNESA-N 368.462 2.461 0 40 FEAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CNC(C)=O)n2)s1 72375386 WIDJBQGGAPKDPY-CYBMUJFWSA-N 374.470 2.039 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 224826942 SNFUULUWEPGVCX-UHFFFAOYSA-N 365.407 2.300 0 40 FEAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc21 225866552 FDQPOAPLBDJAQG-UHFFFAOYSA-N 372.450 2.349 0 40 FEAB Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224818483 ARMKQZPGWZTOFN-UHFFFAOYSA-N 363.391 2.046 0 40 FEAB Cc1nc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)cs1 96057930 HYIJUTVEPPQRDT-RCCFBDPRSA-N 351.516 2.296 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)cn1 96074024 YHMKHZHTJUTZCP-FQEVSTJZSA-N 350.422 2.444 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)NC1CCCCC1)CC2 96254859 GAKLRJLMXLFMEV-UHFFFAOYSA-N 373.501 2.065 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)c1ccc(F)cc1)CC2 96254797 MKDDPSLAOMWYJG-UHFFFAOYSA-N 370.428 2.002 0 40 FEAB COc1ccc(CN(C)Cc2nn3c(=O)cc(C)nc3s2)c(OC)c1 96126365 XDEBWHRHPZQHQT-UHFFFAOYSA-N 360.439 2.109 0 40 FEAB O=C(c1ncccn1)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 247841037 FLWCYTKWVHJOOL-MRXNPFEDSA-N 368.437 2.352 0 40 FEAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncc[nH]2)CC1 257232799 GMLSCSVORLXLSU-IBGZPJMESA-N 360.433 2.038 0 40 FEAB O=C(c1cscn1)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257336112 YNFUGECVZHCGNQ-QGZVFWFLSA-N 358.467 2.348 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CCCn2cccn2)n1 257269561 MQMNREBLOWPICC-KRWDZBQOSA-N 356.474 2.187 0 40 FEAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)/C=C/c2ccccc2)n1 257314717 UYECRMRVCCNICH-OAGJVSPASA-N 352.438 2.464 0 40 FEAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN(CC(=O)N(C)C)C1 257236433 HCELTPCZAISMST-HNNXBMFYSA-N 354.458 2.191 0 40 FEAB CNC(=O)c1sc2nc([C@H]3CCCN3C3CCN(C)CC3)ccc2c1N 257294560 QURUKGAQRKBZRK-OAHLLOKOSA-N 373.526 2.469 0 40 FEAB COc1nc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)co1 625045185 HTDBIJLGIKGNOF-UHFFFAOYSA-N 353.382 2.488 0 40 FEAB O=C(c1ccnc(N2CCOCC2)n1)N1CCc2sc(Cl)cc2C1 627905312 GIGULOMGRRQIDQ-UHFFFAOYSA-N 364.858 2.227 0 40 FEAB O=C(O)c1ccc(-c2nc(CN3CCOC[C@@]34CCOC4)cs2)cc1 652442798 WZRYMOKCZPJDFD-SFHVURJKSA-N 360.435 2.500 0 40 FEAB Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nnn1[C@H]1CCNC1 662545029 KTTDNTWCFJGMMH-RYUDHWBXSA-N 359.396 2.172 0 40 FEAB O=C(O)[C@H](c1ccc(F)c(CO)c1)N1CCN(C2CCCCC2)CC1 95372829 WCBCULNHAFSZCZ-SFHVURJKSA-N 350.434 2.394 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cnc3ccc(C)cn23)C1 1775957458 WANFJQZOTNOIMI-CVEARBPZSA-N 352.442 2.142 0 40 FEAB Fc1cnc(OC2CCN(c3ncc(Br)cn3)CC2)nc1 1776008471 HKFRAJMRBKABJT-UHFFFAOYSA-N 354.183 2.216 0 40 FEAB O=C(c1ccnc(F)c1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 585100967 MVCWZIPOCAKHSA-HXUWFJFHSA-N 368.412 2.271 0 40 FEAB O=C(C1CC(O)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110335 HDAYINYVMOAHSX-UHFFFAOYSA-N 367.449 2.100 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)c1 585101247 QXLYVWLNTDOGHZ-UHFFFAOYSA-N 355.438 2.333 0 40 FEAB CO[C@H]1CCCN(C(=O)COc2ncccn2)[C@H]1Cc1ccc(F)cc1 585276227 LHNMBGPLIUJSFF-IRXDYDNUSA-N 359.401 2.243 0 40 FEAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)CN(C)C)C1 72384268 BNUZGUQPCGHAGR-OAHLLOKOSA-N 355.442 2.240 0 40 FEAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(Cl)cc1 56230121 HYCOJZWXAZNBFE-VIFPVBQESA-N 366.878 2.434 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)CC(C)(C)CC(=O)O 1775964086 RBDWEHQJMOHTGX-SPWCGHHHSA-N 350.459 2.029 0 40 FEAB biogenic,in-vitro O=C(NCCCO)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293670 ZZOUXGOBJSDUCH-INIZCTEOSA-N 364.417 2.004 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)cc1 19587967 LJZWLZJYUAKIHD-MRXNPFEDSA-N 366.465 2.032 0 40 FEAB Cc1ncsc1C(=O)N(C)Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1 19709991 QZCFAEOHVFPSLC-ZDUSSCGKSA-N 374.514 2.047 0 40 FEAB COCCCNC(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 8103493 ZVEUQKGVPAOGTJ-KNZHJAITSA-N 350.396 2.025 0 40 FEAB C[C@H]1OCCN(Cc2nnc(C3CCC3)n2C)[C@@H]1c1nc(C2CC2)no1 671544339 ONIUBWLYQNNYTL-ABAIWWIYSA-N 358.446 2.305 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 1506268 ANGCDRGOSSHHGO-UHFFFAOYSA-N 366.468 2.273 0 40 FEAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 5392592 UOCZFXIRCSPYAF-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)cn1 1888899189 YAKKGKBIWXXFCW-HNNXBMFYSA-N 363.421 2.418 0 40 FEAB COc1cnc(OC2CCN(C(=O)c3nn(C)c4ccccc34)CC2)nc1 1889219214 XINQJTLBTBEDQP-UHFFFAOYSA-N 367.409 2.056 0 40 FEAB Cc1cnccc1CN1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037980715 GABMDECUKUQVGF-NRFANRHFSA-N 367.449 2.024 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 8844924 HNGNZCYPAZEMKP-FQEVSTJZSA-N 367.405 2.409 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)NC1CC1 9708292 KBFIKBXJLVZULN-INIZCTEOSA-N 355.463 2.247 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CC2CCOCC2)C1 2055751214 VVOSGYHNEFCYNY-OAQYLSRUSA-N 373.497 2.365 0 40 FEAB CSc1ncccc1C(=O)N1C[C@H]2CN(c3cc(C)ncn3)C[C@@H]2C1 1889095808 JNUGRZREXQJSOY-ZIAGYGMSSA-N 355.467 2.110 0 40 FEAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(O)CC3)c(O)n2n1 23157464 WLWTXSXUYFQJLW-CQSZACIVSA-N 362.430 2.490 0 40 FEAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 56998172 QPOTZTZDFPWYNX-MOPGFXCFSA-N 374.506 2.391 0 40 FEAB CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@@H](c2ccccc2)C1 30029572 PBRWXRASIABRCL-GOSISDBHSA-N 358.463 2.219 0 40 FEAB O=C(NCCCOCc1ccco1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40092006 MILGDYCCNQKHJS-INIZCTEOSA-N 363.458 2.230 0 40 FEAB COc1ccc2cnn(CC(=O)Nc3cccc(F)c3)c(=O)c2c1OC 32093229 GAQOLBMZQWBBES-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)c3cnc4sccn4c3=O)cn2)n1 32914510 NRDRAODKNAPRAS-UHFFFAOYSA-N 366.406 2.206 0 40 FEAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCN(c2ncccn2)CC1 32922777 MENNJPDDCYWJPP-UHFFFAOYSA-N 353.357 2.233 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(Nc1ccc(C)cc1C)CS2 102916219 NVXYHBWYZQPWRU-KRWDZBQOSA-N 360.487 2.068 0 40 FEAB CCCn1nc(C(=O)/N=c2\sccn2Cc2ccccc2)ccc1=O 103086025 BORRDWWKPJEHLY-HNENSFHCSA-N 354.435 2.306 0 40 FEAB O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCc2ccc(O)cc2C1 41661302 JDSNBVUWAXUVNK-UHFFFAOYSA-N 372.446 2.031 0 40 FEAB Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCOCC1 796321 JKLKTPNTPNIAQM-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)N2CCCc3ccccc32)nc1N 915810 NMIJNRXAPPKUEK-UHFFFAOYSA-N 372.450 2.307 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 1093099 LAYHPSLKEDOXAG-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB O=C(Nc1nncs1)C1CCN(C(=O)CCc2cccs2)CC1 77375238 RRZRFLPMEAVKDK-UHFFFAOYSA-N 350.469 2.410 0 40 FEAB CCCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(N2CCOC2=O)c1 79025494 LBKOPHPDPGNRBG-HNNXBMFYSA-N 360.414 2.166 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 3610821 DXTDXBBIKRSMGL-HXUWFJFHSA-N 353.422 2.379 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCOc1ccccc1 22600835 JAMFYLYLTLIRRA-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6402445 SVDIYMRERLQLJQ-XDNAFOTISA-N 352.390 2.489 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cn1 72405023 YZEDYSDCHMTLCU-UHFFFAOYSA-N 352.350 2.322 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)N2CCc3sccc3C2)c1 10363329 QKDIGOXZZJCBER-UHFFFAOYSA-N 365.480 2.388 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1C(=O)O 57122949 KAIACTRNMNBNFM-UHFFFAOYSA-N 357.334 2.497 0 40 FEAB Cc1ccccc1Cn1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 28236399 PMMGVQQVFSADQH-UHFFFAOYSA-N 373.420 2.397 0 40 FEAB CC(C)(C)NC(=O)COC(=O)c1ccc(I)cc1 3294768 QKEVGXPQQBLXCL-UHFFFAOYSA-N 361.179 2.363 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)N1C[C@H](C)O[C@H](C)C1 58265460 SBYYRAXEEKWANK-DAYGRLMNSA-N 374.485 2.289 0 40 FEAB COc1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1OC(F)F 48220529 NDNWKXVCQAMHHJ-UHFFFAOYSA-N 368.380 2.427 0 40 FEAB O=C(NCCCC(=O)N1CCCN(C2CC2)CC1)c1ccc(F)cc1F 58424705 VKCCHIFUMKDTNC-UHFFFAOYSA-N 365.424 2.172 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@H]1C[C@@H]2CC[C@@H]1C2 102795330 OGJORKYMDLSCNA-AAVRWANBSA-N 356.513 2.310 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2nccn2C)CC1 100750172 XXJVTMAPYKBRIR-JZXOWHBKSA-N 369.469 2.229 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(C)cc4)[C@H]3C2=O)cc1 101507984 HNNDYARFOQKDEP-AEFFLSMTSA-N 364.357 2.213 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nccc(C(F)(F)F)n1 12729293 ZLWDXALYHQPFBU-UHFFFAOYSA-N 362.358 2.387 0 40 FEAB COc1ccc(-c2cc(C(=O)N3CCOCC3)c3c(C)nn(C)c3n2)cc1 36613553 AMRHFGBESVSJPB-UHFFFAOYSA-N 366.421 2.425 0 40 FEAB COc1ccccc1C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 2415291 XPTFWMKYQRKLQZ-CQSZACIVSA-N 363.377 2.471 0 40 FEAB O=S(=O)(CNS(=O)(=O)c1cccs1)c1ccc(Cl)cc1 3337107 OCNFMYIXSOWONI-UHFFFAOYSA-N 351.858 2.111 0 40 FEAB CN1C(=O)C(=O)N(Cc2ccc(C(=O)OCc3ccc(F)cc3)cc2)C1=O 12856195 QRWNRZNDENMGME-UHFFFAOYSA-N 370.336 2.103 0 40 FEAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 3562049 RPRQKSNAWCTPQU-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CC(C)OCc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 49133149 KOLRNUMQPGWGAZ-INIZCTEOSA-N 371.524 2.148 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](CO)Cc1ccc(F)cc1 49351754 UPSLSENWHMFPMW-PBHICJAKSA-N 360.433 2.087 0 40 FEAB COc1ccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1OC 5321760 RLMPZJAPLFVUPH-NSHDSACASA-N 354.366 2.008 0 40 FEAB CCOc1ncccc1C(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 14251494 QSHKZOHKNMCBBW-AWEZNQCLSA-N 352.456 2.052 0 40 FEAB COc1ccccc1OCCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 14227559 RYBLRKFFPIGQHZ-UHFFFAOYSA-N 367.405 2.060 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)n2cccc2)cc1 70785444 HQPCJLGPZFFUTC-SFHVURJKSA-N 369.446 2.041 0 40 FEAB CCN(C(C)=O)c1nc(CN2CCN(c3nccs3)CC2)cs1 21335628 UUYNZBNYKJZQTB-UHFFFAOYSA-N 351.501 2.295 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCCCC3)c(Cl)c2)C1=O 15858303 TYPULPRTFVWUNQ-LLVKDONJSA-N 370.858 2.279 0 40 FEAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 8132766 STEFCPRWFDULFR-UHFFFAOYSA-N 366.414 2.266 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C 9313883 IDYIPULQUOZLDY-UHFFFAOYSA-N 364.423 2.295 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)C1CC(F)(F)C1 306128244 GVBOJYNJOKNULC-ZMSDIMECSA-N 368.399 2.434 0 40 FEAB COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(N)=O)c(=O)oc2c1 8490993 XSPBZVKBKJLIQZ-UHFFFAOYSA-N 366.373 2.390 0 40 FEAB biogenic CC(C)CCNc1nc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cs1 9514218 LEFOCXPLKXADOO-SNVBAGLBSA-N 368.459 2.135 0 40 FEAB Cn1nc(-c2ccncc2)cc1NC(=O)NCC(=O)Nc1ccc(F)cc1 72309645 LMFZUAJDZHDGMY-UHFFFAOYSA-N 368.372 2.381 0 40 FEAB CNC[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870874 ZDCAFSNKHTZQCO-SNVBAGLBSA-N 367.334 2.439 0 40 FEAB CCn1cccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409241689 LOEQJBBFKLPBCX-RVDMUPIBSA-N 368.393 2.048 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218588338 LFLHUJWIIGKJIL-WWGRRREGSA-N 374.890 2.073 0 40 FEAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)C1 44913814 WMVZBMUFYBZCTK-IBGZPJMESA-N 372.557 2.286 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223418322 WLXVZLZKYYVEFF-CABCVRRESA-N 368.380 2.074 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)cnn1-c1ccccn1 530075650 JQZJQCQYODJQDC-OAHLLOKOSA-N 350.382 2.049 0 40 FEAB C[C@H](NC(=O)COC(=O)CCC(=O)NCc1ccco1)c1ccccc1 138992124 RKXFCFHBTQSGMC-AWEZNQCLSA-N 358.394 2.097 0 40 FEAB CC/C=C/C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 195752342 HFKNJQYMAGMXTR-OPFIQBSNSA-N 368.470 2.222 0 40 FEAB Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 96199811 VOQQSFIIFACAIG-AWEZNQCLSA-N 358.467 2.069 0 40 FEAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 247537526 RBCHKDGWZFZAAZ-RTBURBONSA-N 360.479 2.457 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257247652 IZYJPZQWBVAMNE-MRXNPFEDSA-N 350.426 2.392 0 40 FEAB O=C(c1cccs1)N1CCCN(c2nccc(-c3cnccn3)n2)CC1 585140375 ZMDXBQJXPZCVBA-UHFFFAOYSA-N 366.450 2.348 0 40 FEAB CC(=O)N1CCCCC[C@@H]2N(C(=O)CN)[C@H](Cc3ccccc3)C[C@@]21C 257236547 HCQFDBIGVXMYKI-DYXWJJEUSA-N 357.498 2.339 0 40 FEAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)C3CC3)C2)nc1C 257221929 DREIMLCEIZBNRT-MRXNPFEDSA-N 358.486 2.278 0 40 FEAB O=C(O)C1(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)CCCCCC1 663121891 TXBNNQTVFQXMSA-MRXNPFEDSA-N 352.475 2.125 0 40 FEAB COC[C@H](C)S(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 668246901 QLZMJNSMLMXIDF-RYUDHWBXSA-N 359.410 2.032 0 40 FEAB CCc1ccc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)cc1OC 585088720 MEUJOZZPVMEUHH-LJQANCHMSA-N 363.458 2.095 0 40 FEAB O=C(O)c1ccc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)cc1 585276219 DUBBYTOQDMNYDD-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 585322391 KCZLNAOBOZYHTL-UHFFFAOYSA-N 367.858 2.152 0 40 FEAB C[C@@H]1CCCCN1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12184418 JGBPVHWKENRRMP-CYBMUJFWSA-N 365.437 2.323 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccccc3)nc2C2CC2)on1 13226145 BIZUSJIJDPZZLQ-UHFFFAOYSA-N 364.405 2.401 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@H](C)C1 13673528 KCYCVPNVWJYOHN-AWEZNQCLSA-N 366.483 2.352 0 40 FEAB Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19238463 XJOKCOHXJNLMPC-SFHVURJKSA-N 368.485 2.113 0 40 FEAB Cn1c(CCNC(=O)c2cc(=O)[nH]c(-c3ccccc3)n2)nc2ccccc21 19289920 CDOKJVJTGSKZJV-UHFFFAOYSA-N 373.416 2.296 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)c1 19551034 ZKWQVHIFFGMYQV-LBPRGKRZSA-N 367.409 2.390 0 40 FEAB CC(=O)N/C(=C/c1cc(Br)c(Br)o1)C(=O)O 4526079 JDNVOZNAUVKGDF-XVNBXDOJSA-N 352.966 2.366 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8062470 YMQMPCUPUIQDRD-UHFFFAOYSA-N 372.437 2.378 0 40 FEAB Cc1cc(C)nc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888866325 ZHYUJEVEQDCBBD-IYBDPMFKSA-N 350.470 2.253 0 40 FEAB Cc1ncnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)c1F 1888880023 LAXNISIYVSGXNI-UHFFFAOYSA-N 351.385 2.435 0 40 FEAB Cc1ncnc(N2C[C@H]3CN(C(=O)NCCc4ccccc4)C[C@H]3C2)c1C 1889179488 PIVMUDCLWLBFNK-KDURUIRLSA-N 365.481 2.414 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]32)CC1 1565551945 MMMRJUBKWYGHKD-AEFFLSMTSA-N 371.529 2.151 0 40 FEAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)cc1 4569013 VNGBIRPVVQIIJI-MRXNPFEDSA-N 362.426 2.409 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 4280378 IYDILVPOFBPERI-BQYQJAHWSA-N 369.446 2.404 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1nnc2n1CCCCC2 40080354 HIGJXSHPBQDFEJ-INIZCTEOSA-N 365.441 2.113 0 40 FEAB Cc1nnnn1-c1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 40105032 ZRVHXOXGWYKIGY-MRXNPFEDSA-N 371.470 2.457 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)c2cn(C)c3ccccc23)cc1 32090041 GPQDWLGUGZJGGO-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB Cn1c(SCC(=O)NC(=O)Nc2ccccc2)nnc1-c1ccncc1 1035684 SVHVTZDWYZGDRY-UHFFFAOYSA-N 368.422 2.318 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1345823 YZPVEIUNQIDXML-MRXNPFEDSA-N 362.451 2.138 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC 22514525 QMKSZCCPJNSUAN-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc(F)cc2)CC1 47533420 FAWSLVUTZFUBPH-UHFFFAOYSA-N 365.449 2.498 0 40 FEAB O=C(NCCc1ccccn1)c1cccc(CN2C(=O)CSC2=O)c1 23877339 KJCYWJPAWACCIV-UHFFFAOYSA-N 355.419 2.250 0 40 FEAB COc1ccc(Cc2nnc(S[C@@H](C)C(=O)N3CCOCC3)o2)cc1 35264640 ZDMGITLOTURSGZ-LBPRGKRZSA-N 363.439 2.008 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]4C=C[C@@H]3O4)nn2c1O 100139259 KLKSFMQPWISPJW-JFOHDYCDSA-N 368.437 2.313 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnc(NCc3ccco3)s2)CCO1 58192220 GWNYCGDOJSUJFQ-NSHDSACASA-N 368.484 2.473 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4[C@H]5CCCC[C@H]45)C3)ncc2C1 100748296 QQQRHZSGJRICLF-PVAVHDDUSA-N 368.481 2.133 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C(C(=O)OC)=C(C)N2 100301697 PCPSSVRYJVQAGE-GFCCVEGCSA-N 358.423 2.281 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1OC 10008874 WHQBTNBUXRYXOK-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB NC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCC2 3393136 KMRZQHKTYLGIDB-UHFFFAOYSA-N 362.382 2.270 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CCCn1cnc2c(C)cccc2c1=O 58443754 MYDRAFMUZCQONY-UHFFFAOYSA-N 353.426 2.474 0 40 FEAB CN1CC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C1=O 3353427 MLQLDDVNSJMJGX-UHFFFAOYSA-N 351.406 2.109 0 40 FEAB O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1 28254760 GLVFZYKEXPPXFM-UHFFFAOYSA-N 362.382 2.276 0 40 FEAB NC(=O)[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 119874513 HZTZHPIREZWKSV-HNNXBMFYSA-N 352.390 2.006 0 40 FEAB CCOc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)cc1 28924413 WWEWACJLUSCPPO-LJQANCHMSA-N 353.422 2.422 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 29207364 PHGDNGOWNXJGAP-IBGZPJMESA-N 372.490 2.436 0 40 FEAB C[C@@H](OCC1CC1)C(=O)OCCN1CCCN(C(=O)OC(C)(C)C)CC1 97117290 KTMJZZGSAYHTNW-OAHLLOKOSA-N 370.490 2.288 0 40 FEAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2cccnc2)n2nnnc2N3)cc1 111999801 HBOCNEQETSIAOY-INIZCTEOSA-N 358.365 2.234 0 40 FEAB C[C@@H](SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)O 12813863 IGQUVCLTMUCYKD-DGCLKSJQSA-N 351.424 2.328 0 40 FEAB CCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12982867 HQLCVWGWICXXMK-HNNXBMFYSA-N 353.488 2.032 0 40 FEAB O=C(O)c1ccc(Br)c(S(=O)(=O)NCc2ccccn2)c1 13075151 WAAVXJSVGGJCAL-UHFFFAOYSA-N 371.212 2.021 0 40 FEAB CC(C)OCc1cccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 49150294 WALNAAFJZYEGJK-INIZCTEOSA-N 371.524 2.148 0 40 FEAB Cc1cc(C)n2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2n1 5352444 GCNDZXAPADKHSG-UHFFFAOYSA-N 370.844 2.357 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 14157726 ABRHLZITEBBWOM-RISOHXOYSA-N 373.453 2.157 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 14142332 QIUNBDZRHGQIFA-UHFFFAOYSA-N 360.435 2.457 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c(C)c1 4512510 HRIXQRLXSMAUBN-CQSZACIVSA-N 371.393 2.135 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)C)c(C)c1N(C)S(C)(=O)=O 5554165 JDOIUMQBEJILIK-UHFFFAOYSA-N 362.517 2.084 0 40 FEAB Nc1nc(CSCC(=O)NCc2ccco2)nc(Nc2ccccc2)n1 6609216 WWIAHTPHKKUYDS-UHFFFAOYSA-N 370.438 2.340 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@H]1C(N)=O 9315163 MGMXGHRUBDUXHX-ZDUSSCGKSA-N 354.248 2.036 0 40 FEAB COc1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 15363089 XKDKYIYNYOHDBX-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB Cc1cc(F)cc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 80034333 MVMLBKYQQWMDSL-UHFFFAOYSA-N 370.428 2.161 0 40 FEAB Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 7154092 JFRZWTGEHFMWMG-UHFFFAOYSA-N 363.464 2.392 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCc3ccc(F)cc3)ccc2N1S(C)(=O)=O 7667576 NHPXHQJSDXSGKT-GFCCVEGCSA-N 362.426 2.466 0 40 FEAB CN(C)C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 7818231 OHXPQTJKTHBCQQ-MRXNPFEDSA-N 353.422 2.404 0 40 FEAB COc1ccc(CNC(=O)CSc2nc3sccc3c(=O)[nH]2)cc1 8456556 VEZLINVBEKQMGZ-UHFFFAOYSA-N 361.448 2.402 0 40 FEAB CCCc1ccc([C@]2(C)NC(=O)N([C@H](C)C(=O)N3CCCC3)C2=O)cc1 9608769 NGEUIQYZHPLFHK-VLIAUNLRSA-N 357.454 2.417 0 40 FEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NC(C)(C)C 18592070 FARFVMGLWQVSFV-GFCCVEGCSA-N 371.528 2.261 0 40 FEAB COc1cc(CNc2cnn(CCN3CCOCC3)c2)c2c(c1)C[C@H](C)O2 95445306 DAILUCAEKCASQP-HNNXBMFYSA-N 372.469 2.159 0 40 FEAB CC(C)[C@H](O)C1(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 95986735 DUURYJGJWKCZIF-KRWDZBQOSA-N 367.515 2.465 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306123504 AOYPUVCZVFNPQP-MRXNPFEDSA-N 369.421 2.395 0 40 FEAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNCc1cnc2cnccn12 547694519 RKVJSWVVSPOGCA-GJZGRUSLSA-N 358.421 2.036 0 40 FEAB CCCNC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 67255686 IFRPORURDXLCNO-UHFFFAOYSA-N 371.466 2.185 0 40 FEAB COC(=O)c1nn(C)c(C)c1NC(=O)c1cnn(Cc2ccccc2)c1 72250743 KQYUQLJLMWPUFJ-UHFFFAOYSA-N 353.382 2.012 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 5789681 ADXMEDXXZXKINF-WOCWXWTJSA-N 357.406 2.181 0 40 FEAB biogenic O=C(c1ccc(Cn2cnc3ccccc3c2=O)o1)N1CCSCC1 36366841 GYSIXDWLZNVNJG-UHFFFAOYSA-N 355.419 2.227 0 40 FEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217534655 DLFFVNIAXIOIPX-VXGBXAGGSA-N 358.460 2.299 0 40 FEAB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1ccccc1 33797647 GHRYVAUJKLWHLS-OAHLLOKOSA-N 356.447 2.269 0 40 FEAB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 33744357 GUMKNMZOBMURMK-UHFFFAOYSA-N 361.266 2.462 0 40 FEAB NC[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058163 MOCLUVQWQPIJMY-IKGGRYGDSA-N 351.855 2.217 0 40 FEAB Cc1nc2nc(N3CCOCC3)nc(O)c2c(=S)n1-c1ccccc1 40386851 ILNPZZDLKIXAHO-UHFFFAOYSA-N 355.423 2.396 0 40 FEAB Cc1nc2cc(NC(=O)c3ccc(N4CCOCC4)nn3)ccc2s1 75172723 BAFOQJIIMVYHJW-UHFFFAOYSA-N 355.423 2.484 0 40 FEAB C[C@@H]1CN(C(=O)c2cccnc2OCc2ccccc2F)CC(=O)N1C 570101923 DQCHAYNEUGUKCN-CYBMUJFWSA-N 357.385 2.102 0 40 FEAB COc1cccc([C@H](CC(=O)O)NC(=O)Cn2c(O)nc3ccccc32)c1 532003154 IEVHDLZIOBXHRC-HNNXBMFYSA-N 369.377 2.083 0 40 FEAB C[C@](O)(CN1CCC(Oc2cccc(Br)c2)CC1)C(=O)O 573452341 LKVDXLRBKQMQPE-HNNXBMFYSA-N 358.232 2.128 0 40 FEAB Cn1cnc2c1C[C@H](C(=O)NCc1ccccc1)C(=O)N2Cc1ccccc1 96147067 VATVNSPJLUSBHI-GOSISDBHSA-N 374.444 2.442 0 40 FEAB CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)O)cs2)C1 578077595 PCFCFNXDURPBEA-NSHDSACASA-N 353.444 2.462 0 40 FEAB O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 96043027 MVGYVPSARDPPQY-JCGIZDLHSA-N 357.479 2.439 0 40 FEAB COc1ccc(-c2nc(N3CCOCC3)sc2CC(=O)O)cc1OC 95097191 OFJWVGHYWHXXRN-UHFFFAOYSA-N 364.423 2.291 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 331796221 IQYXPNFCOJZSGN-IPELMVKDSA-N 372.513 2.426 0 40 FEAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96243644 HIYPOJAPSRSIPX-GOSISDBHSA-N 368.481 2.298 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Cc1ccccc1)C2 96238101 RATCVFJTCMOAKI-HXUWFJFHSA-N 369.490 2.240 0 40 FEAB CCCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96158394 ORGCSXLPZKWMGL-UHFFFAOYSA-N 351.516 2.499 0 40 FEAB O=C(O)[C@@H]1CCN(C(=O)CCOc2ccc(Br)cc2F)C1 583652281 PDUYBPMLECSNBT-SECBINFHSA-N 360.179 2.290 0 40 FEAB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC[C@@H]1CCOC1)CC2 583615459 KSNCVSOQNWYJEX-GJZGRUSLSA-N 364.515 2.176 0 40 FEAB O=S(=O)(Cc1ccccc1)NC[C@H]1COCc2nc3ccccc3n21 96112453 GQXIHBLTBBGAJD-HNNXBMFYSA-N 357.435 2.227 0 40 FEAB biogenic,in-vitro CC(C)CS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 248161982 MBYJTEJDEUMJOF-HOCLYGCPSA-N 356.513 2.062 0 40 FEAB O=C(C1CCSCC1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 247859788 MGCAYYSVVJRILR-ULQDDVLXSA-N 362.495 2.467 0 40 FEAB Cc1cnc(C2(C)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)s1 257317569 VKIMZBQWQGPHES-UHFFFAOYSA-N 357.545 2.229 0 40 FEAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)CN(C)C)CCO2)n1 257328046 XDWRMZKGSAWNKL-FQEVSTJZSA-N 353.466 2.442 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@H](c3c(C(N)=O)sc4ncccc34)C2)n1 257285157 PFWSUOYYDKDPRQ-NSHDSACASA-N 369.450 2.149 0 40 FEAB COc1cccc(F)c1CN1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2C(C)=O 257334505 YGFLICMCJOITHZ-UCLAIMLFSA-N 350.434 2.028 0 40 FEAB Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257214315 CLONUYNRGKSBSX-QWFCFKBJSA-N 357.454 2.367 0 40 FEAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514115 BHPOCJHVOWCPCE-GUDVDZBRSA-N 361.463 2.226 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2ccnc(-c3nccs3)c2)CC1 257218938 DEXRQIBDECLASJ-UHFFFAOYSA-N 352.485 2.191 0 40 FEAB COc1ccccc1-c1cc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)n[nH]1 591449134 NEHBRGTVJFMOBN-GOSISDBHSA-N 356.426 2.671 0 40 FEAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@H]3CO)c2c1 1634203622 YZKHZNYVJWFESW-INIZCTEOSA-N 353.466 2.478 0 40 FEAB Cc1cc(=O)n2ccn([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2n1 642486633 FBOOSEPIWFQDKJ-MRXNPFEDSA-N 372.375 2.446 0 40 FEAB COCc1ncc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(N)n1 647756666 ROSBMQOVZHGDJR-UHFFFAOYSA-N 372.816 2.179 0 40 FEAB Cn1c(C(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)cc2ccccc21 1775958060 ZZKUJTIKXDBJNA-ZWKOTPCHSA-N 355.438 2.063 0 40 FEAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)c3ccc(Cl)s3)ccc21 96362665 JEECCMVIDDDQHA-ZDUSSCGKSA-N 372.899 2.406 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)c1F 390828031 NSUXBZMPTQAJKU-SNVBAGLBSA-N 366.780 2.226 0 40 FEAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 585283057 PDDSEZAAFJMJFT-FPOVZHCZSA-N 363.498 2.257 0 40 FEAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1ccc(Cl)cc1 56088078 WKOBHHDLZQUPLR-UHFFFAOYSA-N 362.842 2.458 0 40 FEAB COCCOC[C@H]1CCN(C(=O)c2ccc(OC)c(OC(F)F)c2)C1 72303089 OWLMBDLQTFQUSN-LBPRGKRZSA-N 359.369 2.422 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)CCn3nccc3C)nn2c(O)c1C 12336967 GVGFCHPCBHFPMR-MRXNPFEDSA-N 368.441 2.310 0 40 FEAB COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 13632568 AKNZRMTYVNVWMT-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB COc1ccc(OCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 15357840 XBHCZGYFRDNMTP-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@H](c2nc3ccccc3n2C)C1 19715441 FKUGQEOXBUNGSL-ZDUSSCGKSA-N 354.414 2.083 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCc3ncc(C)s3)C2)c1 19745665 HPAVDWBVGGLEGP-OAHLLOKOSA-N 373.478 2.281 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 19886410 UPXBHPIVKKVNPU-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB O=C(c1ccccc1)N1CCC[C@@H](CS(=O)(=O)NCc2ccccn2)C1 521396671 JTQRUNFXICBIDW-MRXNPFEDSA-N 373.478 2.053 0 40 FEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 3497552 KXOJATGVYUSMTP-CHWSQXEVSA-N 358.394 2.443 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cnn(-c2ccccc2)c1 11562797 ZCSBYXDBKJJGOP-UHFFFAOYSA-N 373.416 2.358 0 40 FEAB CC(C)CCn1c(SCC(=O)N2CCNC2=O)nc2ccccc2c1=O 5491924 UUUCXOMUOLKOMD-UHFFFAOYSA-N 374.466 2.087 0 40 FEAB Cn1ccc2cc([C@H](O)CNC(=O)[C@@H]3COc4ccccc4O3)ccc21 238952611 XGNHEUIOTSHNCO-APWZRJJASA-N 352.390 2.168 0 40 FEAB Cc1cccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)n1 2037984545 FFTGSJYXZPRVIS-APWZRJJASA-N 365.433 2.284 0 40 FEAB COc1cnccc1C(=O)N1CCC[C@]2(C1)CN(C(C)C)Cc1cncn12 1614936728 MWNNMGQWUVRAMO-FQEVSTJZSA-N 369.469 2.142 0 40 FEAB c1cncc(-c2ccnc(N3CCN(c4ncnc5cnccc45)CC3)n2)c1 2087048826 JLSBTXXUKJLEKH-UHFFFAOYSA-N 370.420 2.203 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1 4328113 BLQJNJLMWICXFI-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1=O 9828180 XAIQCOKFXFAKST-UHFFFAOYSA-N 360.435 2.135 0 40 FEAB COc1ccc(-c2cc(=O)n(CC(=O)NCCc3ccccc3)cn2)cc1 13807349 GKDXLJPEXHESBC-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2c(C)noc2C)CC1 2055771909 IBZZOPUYLAHNMU-UHFFFAOYSA-N 372.469 2.493 0 40 FEAB COc1cccc(NC2(C(=O)NC3CC3)CCN(c3ncccn3)CC2)c1 2055750859 FOYVTFSDUVGRKK-UHFFFAOYSA-N 367.453 2.215 0 40 FEAB Cn1cc(CC(=O)NCCn2ccc3ccn(C)c3c2=O)c2ccccc21 575415051 XEXQPWQSPNYIMO-UHFFFAOYSA-N 362.433 2.191 0 40 FEAB Cc1cc2ncc(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)c(N)n2n1 19664239 RSUOFVMIOGSBOA-HNNXBMFYSA-N 372.860 2.306 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 40087832 UCLSDDJEIRCIIB-MRXNPFEDSA-N 353.422 2.097 0 40 FEAB Cc1ccc(CNc2ncc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3n2)o1 101462487 JBCXEELZRXLUHN-UHFFFAOYSA-N 363.377 2.042 0 40 FEAB CC(C)[C@@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 32858204 XMORCXPHRAUTPQ-OAHLLOKOSA-N 350.419 2.097 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccs2)CC1 32873836 DSWMVCANEFZWHS-ZDUSSCGKSA-N 366.487 2.191 0 40 FEAB COc1cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc(OC)c1C 33224417 MSGICXXPOUTYNL-UHFFFAOYSA-N 359.426 2.267 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 909584 SIFZUPRNLJHABA-UHFFFAOYSA-N 357.395 2.217 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)CCc2ccccc2)cs1 6681063 QJHJOFKYTFXJFT-UHFFFAOYSA-N 352.481 2.361 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)NCCCc1nc2ccccc2[nH]1 23671004 VMWDXQMPBBBMJR-UHFFFAOYSA-N 357.435 2.329 0 40 FEAB CCCn1nc(C(=O)NCc2cn3ccccc3n2)c2ccccc2c1=O 12547198 NMQFXYZYQVFFJR-UHFFFAOYSA-N 361.405 2.384 0 40 FEAB Cc1ccc(C(=O)Cn2c(C)cc(=O)n3nc(C(F)(F)F)nc23)cc1 1418572 ICRSMRRLTFRKNZ-UHFFFAOYSA-N 350.300 2.410 0 40 FEAB CCCn1ccnc1SCC(=O)N(CCC(N)=O)Cc1ccccc1 12629174 RJZGWXCICDTCMA-UHFFFAOYSA-N 360.483 2.289 0 40 FEAB COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1NC(C)=O 26057344 IGYSCFCYHSRPTN-UHFFFAOYSA-N 366.377 2.153 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 26014791 NCGQRMOSOZCRFG-CYBMUJFWSA-N 369.421 2.202 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H]1CCc2ccccc21 12791122 UQHODWNPOZGMBH-INIZCTEOSA-N 362.426 2.298 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(=O)O)CC3)c(C)c12 2158921 UDKKVSLUFPGWEI-UHFFFAOYSA-N 373.405 2.284 0 40 FEAB biogenic CC[C@@H](C)[C@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)OC 12764435 FGGYQYREDIJGNG-PWSUYJOCSA-N 374.532 2.402 0 40 FEAB O=C(CNC(=O)C1CC1)NCc1cccc(NC(=O)Nc2ccccc2)c1 58310458 IQEVUCXMAWCKKT-UHFFFAOYSA-N 366.421 2.473 0 40 FEAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCO[C@H](c2ccccc2)C1 27913937 POSWISACTOKOKR-OALUTQOASA-N 363.421 2.057 0 40 FEAB CCCCn1nnnc1CN1Cc2ccccc2C[C@H]1c1nnc(C)o1 58430133 NRHNZYNTOYSAHC-INIZCTEOSA-N 353.430 2.464 0 40 FEAB CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccnc1-n1ccnc1 58842048 KKQMIDMXPMTFIU-INIZCTEOSA-N 355.442 2.065 0 40 FEAB C[C@H]1CN(c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)C[C@@H](C)O1 28218638 CKIDFOPIGQMOPJ-GASCZTMLSA-N 370.457 2.065 0 40 FEAB O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCCO2 45812229 NVMAXJJTKLMOEB-UHFFFAOYSA-N 371.418 2.122 0 40 FEAB Cc1cc(CNC(=O)Cn2cc(Br)ccc2=O)ccc1F 21631811 FACAXZSSZVHJHA-UHFFFAOYSA-N 353.191 2.375 0 40 FEAB O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCOCC1 27755041 UDRICTDDZSELBZ-CYBMUJFWSA-N 352.696 2.369 0 40 FEAB COc1ccc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 46080109 FVSHIPLTXTZCFF-AWEZNQCLSA-N 371.441 2.087 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 3516619 RUQPVHNBQXYIAX-UHFFFAOYSA-N 365.434 2.288 0 40 FEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)[nH]c1 12927503 CFKHJWCPNHNEOQ-UHFFFAOYSA-N 367.327 2.495 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(CC(=O)N2CCCCCC2)CC1 12978418 LAXCGEGPCRGJCH-UHFFFAOYSA-N 367.497 2.463 0 40 FEAB C[C@@H]1C[C@@H](N2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)C(=O)O1 13109871 MBKZYWBQLOUXQK-ZVGUJKQYSA-N 364.401 2.380 0 40 FEAB O=C1CSc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2N1 63225206 HFFOQZOZFAXEAB-UONOGXRCSA-N 367.430 2.342 0 40 FEAB COc1cc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2cc1OC 8993875 FEBLNTMSRXHZEL-UHFFFAOYSA-N 367.405 2.072 0 40 FEAB biogenic C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)CCO1 13455946 XUIDFPGEGRNXIA-ZETCQYMHSA-N 354.211 2.101 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCN(C)C)o2)c1 19582941 YIZVQBOSUJLLNE-UHFFFAOYSA-N 360.410 2.171 0 40 FEAB COc1ccc([C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 95348667 VCMZVOSQLMNYNI-GRDNDAEWSA-N 356.488 2.336 0 40 FEAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H]2CCCN2C)cc1OC 65551897 CIQKYAMCYIIDGY-JTQLQIEISA-N 355.822 2.351 0 40 FEAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1 9238694 OFVRLJSGYGIOPS-HZPDHXFCSA-N 373.482 2.367 0 40 FEAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)c1 7247419 ANRKWYIIROADJM-UHFFFAOYSA-N 374.462 2.443 0 40 FEAB COc1ccc(-c2cc(C(=O)NCCC(=O)N3CCCCC3)no2)cc1 96346411 KBOCWWWHRSPSOV-UHFFFAOYSA-N 357.410 2.483 0 40 FEAB Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C)n[nH]c2C)c1C 7778388 BZAYMJUIIVIYIJ-UHFFFAOYSA-N 357.443 2.350 0 40 FEAB COC(=O)c1cc(CNC(=O)c2ccc(OC)c(OC)c2)ccc1OC 7735604 IDDOKFARGNPGCC-UHFFFAOYSA-N 359.378 2.429 0 40 FEAB COc1ccc(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OC 7989379 RIDUFCZSGPMHBH-UHFFFAOYSA-N 368.389 2.287 0 40 FEAB CC(C)NC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 408577577 ZSUAGOJTSPUAJV-UHFFFAOYSA-N 355.438 2.361 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N=c1[nH]c4ccccc4[nH]1)(C3)C2 17303709 NGQJRCRAKXVXSZ-LWYUSKRHSA-N 352.438 2.398 0 40 FEAB NC(=O)[C@@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 95455915 BSIVKZKPBPSFAM-IBGZPJMESA-N 363.417 2.016 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2NC1=O 72292732 YRGRNHBVDKCMRW-CYBMUJFWSA-N 372.446 2.466 0 40 FEAB CCC[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C 67665302 QNZXYNZACHNVLH-WOYTXXSLSA-N 364.486 2.497 0 40 FEAB in-vitro Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 281401154 DPLVVXSWDYYGML-HNNXBMFYSA-N 363.439 2.107 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)NCC3CCCCC3)C2)n2ncnc2n1 35314629 AUPAKRSZEJFBSZ-INIZCTEOSA-N 356.474 2.346 0 40 FEAB O=C(CCNC(=O)Nc1ccccc1)NC[C@@H]1COc2ccccc2O1 32995785 NXQNLAFCVILFLP-OAHLLOKOSA-N 355.394 2.154 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 24765837 TXTHEOWZNTUJMP-VWSOIFEKSA-N 368.543 2.379 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 38833437 IUTRBCWZBQIVEG-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 34872640 MBCNILKFJNYBKB-RBSFLKMASA-N 358.438 2.315 0 40 FEAB COc1ccccc1C1(C(=O)NCC2(OCCO)CCSCC2)CC1 1565521785 AFGGQWAIATUOEA-UHFFFAOYSA-N 365.495 2.118 0 40 FEAB N[C@@H]1CCC[C@H]2CN(Cc3nc(O)c4cnn(-c5ccccc5)c4n3)C[C@H]12 566244464 XENKQMXUCZITPQ-RRQGHBQHSA-N 364.453 2.080 0 40 FEAB Cc1nnc2c(N3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)nccn12 225799994 MABDAVXSPKDNHD-UHFFFAOYSA-N 374.807 2.188 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 85432524 CEUITYAGDGNCCG-CQSZACIVSA-N 364.877 2.183 0 40 FEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 44914641 YGNBCDJHDOAQHG-KRWDZBQOSA-N 362.445 2.449 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCCCOc1ccccc1F 40009600 KHZJVGMVJUGODJ-UHFFFAOYSA-N 355.369 2.121 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(Cc3c(C)noc3C)C2)C1 96226114 TZYULIHTIPCJBG-LJQANCHMSA-N 369.425 2.354 0 40 FEAB Cn1ccnc1CN1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1 96229072 XIARHGJZMACQHA-LJQANCHMSA-N 359.449 2.073 0 40 FEAB O=C(NC[C@H]1CCOC2(CCC2)C1)Nc1nnc(C2CCOCC2)s1 333667912 NFRJJDRMALPXTN-LBPRGKRZSA-N 366.487 2.903 0 40 FEAB Cc1ccc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)s1 96049503 PHKWJDLKYVQPOK-GOSISDBHSA-N 361.515 2.289 0 40 FEAB CN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2cncc3ccccc23)C1 257257941 KRSGFPITHKZTDT-MRXNPFEDSA-N 363.465 2.215 0 40 FEAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(S(C)(=O)=O)cc1 25191942 IFXWIXDBVBHKGW-UHFFFAOYSA-N 373.430 2.470 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3Cc3cncs3)ccnc12 257233910 GRHPOJMIOIBFOE-CQSZACIVSA-N 356.455 2.225 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccn(C)n2)CC1 257292841 QNDYJLNDBAZIKQ-GPMSIDNRSA-N 369.469 2.229 0 40 FEAB CC(=O)N1CCC(Cc2nc(C)cc(-c3cncc(C(=O)O)c3)n2)CC1 257312571 UOORCKGTBSPHGO-UHFFFAOYSA-N 354.410 2.346 0 40 FEAB O=C(OCc1ccccc1)N1CCN2C[C@H](Cc3cccnc3)OC[C@@H]2C1 257289329 PYEJQMHAFFKPHW-PMACEKPBSA-N 367.449 2.346 0 40 FEAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1 257293999 QRZWWPBTEDNLMV-CYBMUJFWSA-N 356.401 2.070 0 40 FEAB CCn1ccc(CC(=O)N2CCc3[nH]c4ccc(C(=O)O)cc4c3C2)n1 652058717 COCMKVWMKAIQCI-UHFFFAOYSA-N 352.394 2.210 0 40 FEAB C[C@@H]1CC[C@H](C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)O1 585112183 MNNSYKIHVCYBLW-ZTFGCOKTSA-N 355.438 2.229 0 40 FEAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCC(C)CC2)no1 585094925 URNWQXPLYPKMNI-HNNXBMFYSA-N 357.458 2.016 0 40 FEAB CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1 585088642 SJBPETQMYYXQLH-LIRRHRJNSA-N 363.458 2.231 0 40 FEAB C[C@H]1CCCN(C(=O)CSc2nnnn2CCc2cccs2)C1 53865231 LWCWBSWKLMYDKE-LBPRGKRZSA-N 351.501 2.328 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1 5604086 MVLCNZSMGNNLEW-BEFAXECRSA-N 354.406 2.193 0 40 FEAB Cc1cc2c(=O)n(CC(=O)NCC3CCN(C(C)C)CC3)cnc2s1 12196082 MUSMBOZSCJTGCJ-UHFFFAOYSA-N 362.499 2.003 0 40 FEAB COCCC(=O)N[C@@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 19574412 RJQIWRAYPOXHPF-LBPRGKRZSA-N 355.398 2.014 0 40 FEAB CCOc1cccc2sc(NC(=O)c3cn4cnnc4nc3O)nc12 19717092 WEWFDSNBDBIWRX-UHFFFAOYSA-N 356.367 2.091 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)s1 19747079 DCBOZXNSKJCEMZ-KRWDZBQOSA-N 351.472 2.050 0 40 FEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)ccc1O 6326247 JXXLLNKJXSYGDC-AUWJEWJLSA-N 364.423 2.209 0 40 FEAB Cn1cc(C[C@H]2CCN(C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)C2)cn1 532284002 WMMJYKQDBJBPTM-CYBMUJFWSA-N 352.438 2.355 0 40 FEAB CC(C)N[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 594750399 SZMKTWRFOYFMLQ-SFHVURJKSA-N 359.518 2.473 0 40 FEAB O=C(O[C@H]1CCCCC1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3276614 CTCVTAPGRBDRBE-AWEZNQCLSA-N 371.480 2.204 0 40 FEAB Cc1ccc(CS(=O)(=O)N2CC[C@@H](COc3ccc(C)nn3)C2)cc1 1888881782 UDQHKPHPEVIFRP-QGZVFWFLSA-N 361.467 2.324 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CCN(c3ccsc3)C(=O)[C@H]2C1 1565542289 NNCGPAMLPSGCJD-WBMJQRKESA-N 359.426 2.336 0 40 FEAB Cn1ccc(CC(=O)N2CCC3(CCCN(Cc4ccccn4)C3)CC2)n1 1565541830 WCHHNDHAOFLOHG-UHFFFAOYSA-N 367.497 2.262 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)cc1C 4373176 DJDFHKVJPZXTOW-INIZCTEOSA-N 358.486 2.144 0 40 FEAB COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 5195010 XXENBXFQMOPKKL-HNNXBMFYSA-N 354.406 2.168 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1C 9035385 NKVHOPKEHCQVCG-OAHLLOKOSA-N 374.462 2.335 0 40 FEAB O=C(NCc1nnnn1C1CCCCC1)c1ccc(Br)o1 10594279 GSWKXSCNGDMJNR-UHFFFAOYSA-N 354.208 2.464 0 40 FEAB CCOCCn1/c(=N\C(=O)c2ccnn2C)sc2cc(OC)ccc21 11695136 VIGGLLBIOZIKKR-HTXNQAPBSA-N 360.439 2.223 0 40 FEAB Cc1cccc(CN2CCO[C@@]3(CCCN(C(=O)[C@H]4CCOC4)CC3)C2)n1 2055793214 APLFFVYOYVBMBC-GHTZIAJQSA-N 373.497 2.010 0 40 FEAB O=C(c1cocn1)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055745450 AEEQYYSPEZWOLA-UHFFFAOYSA-N 372.400 2.179 0 40 FEAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(F)cc2)n2nnnc2N1 950940 UANALRJJMLNHFK-OAHLLOKOSA-N 351.345 2.135 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O 23220646 NUYWYRQWTLMGKK-OTYXRUKQSA-N 357.193 2.376 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)o1 40088891 ZOHWRAHLYRCAGW-UHFFFAOYSA-N 374.802 2.111 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)cc1 40033792 AOWVSPSFZKDFGL-UHFFFAOYSA-N 352.390 2.418 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)NC[C@H]1CCCc2ccccc21 50241458 PXGRCYIAHHVOMW-QGZVFWFLSA-N 372.465 2.169 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102128325 QYESLRHFKHNRCI-GASCZTMLSA-N 361.369 2.117 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)Nc1nccs1 79489098 ODKPJTUVMKNWIF-AWEZNQCLSA-N 370.434 2.123 0 40 FEAB Cc1nc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)c2cnn(C)c2n1 54057235 LUTWNROBGOSMQY-UHFFFAOYSA-N 350.426 2.200 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OCC)c(Cl)c1 6462616 WSRRFRQYULNJRY-UHFFFAOYSA-N 368.850 2.262 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)cc1 6584629 RQWZNCPEAZTNMI-UHFFFAOYSA-N 350.415 2.269 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)n1 6593891 WWOCDUWIKXAFCW-LLVKDONJSA-N 362.459 2.387 0 40 FEAB COc1ccccc1-c1noc(CSc2nnc(C(F)(F)F)n2N)n1 7160787 LKHIQTSIFUEYIZ-UHFFFAOYSA-N 372.332 2.362 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccccc3)C2=O)cc1 7201054 UZRXATSFJOMAMQ-OXQOHEQNSA-N 354.406 2.202 0 40 FEAB O=C(CN1CCCS1(=O)=O)Nc1cccc(C2SCCS2)c1 84374408 UXODABMKSZYOKD-UHFFFAOYSA-N 358.510 2.139 0 40 FEAB Cc1ccc(NC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 8747457 JTRWIHVFNCUIPC-ZDUSSCGKSA-N 359.451 2.032 0 40 FEAB Cc1cc(=O)c(C(=O)NCCc2ccc(O)cc2)nn1-c1ccccc1F 54632249 XPJWEOVGMLABQI-UHFFFAOYSA-N 367.380 2.358 0 40 FEAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2nccs2)CC1 54635972 ALFFUJFUTKFUNS-CQSZACIVSA-N 353.875 2.358 0 40 FEAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCCCn2ccnc2)CC1 42895601 SSCFTRQHYZZJMV-UHFFFAOYSA-N 356.426 2.283 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 42385759 XMEAESVNXWXJBW-WMZOPIPTSA-N 363.477 2.439 0 40 FEAB NC(=O)c1ccc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)cc1 24350753 HJJJHQXIHFIVNQ-UHFFFAOYSA-N 371.324 2.244 0 40 FEAB COc1ccc(C)cc1CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 12545160 LMHVQDJIOBLGKR-KRWDZBQOSA-N 367.449 2.106 0 40 FEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NN1CCN(C)CC1 3216244 DUNVVUUFAIFJDB-UHFFFAOYSA-N 352.797 2.335 0 40 FEAB COc1ccc(CNC(=O)c2cn(-c3cccc(F)c3)nn2)c(OC)c1 44167916 WURJHLMISMKZJQ-UHFFFAOYSA-N 356.357 2.354 0 40 FEAB NC(=O)c1cnn(-c2ccccc2)c1NC(=S)NC(=O)c1ccccc1 3268592 IHIKPMWTDFLEGI-UHFFFAOYSA-N 365.418 2.098 0 40 FEAB CCN1CCN(C(=O)CC2CCN(C[C@@](C)(O)c3ccccc3)CC2)CC1 108873163 DCUVZMYYJHWSIE-JOCHJYFZSA-N 373.541 2.160 0 40 FEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N1CCCN(C2CC2)CC1 58179462 HSGZIBJUVLHPCI-UHFFFAOYSA-N 367.457 2.377 0 40 FEAB Cc1cccc(C(C)(C)CNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)c1 58218935 JBCGVNDNKFLQHL-UHFFFAOYSA-N 352.394 2.040 0 40 FEAB Cc1ccc(OCCN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 58270397 RNVCOQFDLANAKP-UHFFFAOYSA-N 351.406 2.393 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=S)NC(=O)c1cccc(C)c1 3329422 RACZIDQFGLVAFG-MRXNPFEDSA-N 356.447 2.384 0 40 FEAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccco1 36594850 ZUJWEMFILRVLGG-MRXNPFEDSA-N 355.394 2.044 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1Cl 101916654 ATMIGLNSUKCAAX-LJITYGPFSA-N 356.809 2.332 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 48342105 YMLFICAJRNLWIC-LLVKDONJSA-N 364.389 2.107 0 40 FEAB CCOC(=O)N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 12857876 QLVUSSQHCJZRIW-GOSISDBHSA-N 371.437 2.251 0 40 FEAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCN1CCCC1=O 3454738 UUUUCFPBXAEJRE-LBPRGKRZSA-N 369.259 2.345 0 40 FEAB C[C@]1(NC(=O)c2csc(-c3ccc(F)cc3)n2)CCS(=O)(=O)C1 39983191 KMEPWDYHOWUROE-HNNXBMFYSA-N 354.428 2.256 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)no1 4314476 QTUBLETVCPXCRR-UHFFFAOYSA-N 364.818 2.340 0 40 FEAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(C)cc1O)c1ccccc1 5226965 RXLYXGWNOJYKEQ-INIZCTEOSA-N 356.378 2.444 0 40 FEAB COc1ccc(/C=C/C(=O)OCCNC(=O)c2ccncc2)cc1OC 5523415 YZRDKCWJZPIJFU-GQCTYLIASA-N 356.378 2.085 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649286 NSULHPJWHBUCQI-UHFFFAOYSA-N 351.362 2.335 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1CCc2ccccc21 6621598 MJXHPLGEBCGEKP-UHFFFAOYSA-N 370.405 2.492 0 40 FEAB CCCn1nnnc1NCc1cc(Br)c(OC)c(OC)c1 7263302 JFKIZLCHUIFDNZ-UHFFFAOYSA-N 356.224 2.475 0 40 FEAB Cc1sc2ncn(CC(=O)NCCOc3ccccc3)c(=O)c2c1C 7383366 KCQXEHJGWSGLHS-UHFFFAOYSA-N 357.435 2.270 0 40 FEAB Cc1cc(O)c(C(c2cccs2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 7597008 QTEIFJCKKZKTMQ-UHFFFAOYSA-N 372.446 2.354 0 40 FEAB Cn1ccs/c1=N\C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 69101342 AGUXXXYKGSTTMK-JZJYNLBNSA-N 362.499 2.172 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O 8361837 BWOWHWAJTHYJFU-UHFFFAOYSA-N 373.844 2.420 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CC1 8502108 VPINOVUMVSJBGC-RBZFPXEDSA-N 355.438 2.075 0 40 FEAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)ccc1O 95473975 DOFAEXBFSKUAHI-GFCCVEGCSA-N 359.382 2.366 0 40 FEAB CCN(C[C@H](C)C(=O)O)C(=O)COc1cccc(NC(=O)c2ccco2)c1 95970624 QVKZCDLOUYULOP-ZDUSSCGKSA-N 374.393 2.480 0 40 FEAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Nc2ccccc2)cc1 67896953 KZOGKHJWDBFZSB-SJLPKXTDSA-N 355.394 2.221 0 40 FEAB biogenic,in-vitro O=C(Cc1ccccc1F)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306124688 BWOSMAUZJXTKSQ-LZLYRXPVSA-N 355.413 2.349 0 40 FEAB Cn1cc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cn1 306129215 HXTTXVBFIALTGW-PMACEKPBSA-N 361.449 2.303 0 40 FEAB COc1ccccc1CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1 32092058 SAMUVFRHUUNWJD-UHFFFAOYSA-N 366.377 2.189 0 40 FEAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)c1 36635649 JMZALDVJYPKDOO-OAHLLOKOSA-N 356.378 2.456 0 40 FEAB Cc1nnc(CNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)s1 543721929 CTMNNLOZBGSTJW-UHFFFAOYSA-N 363.462 2.403 0 40 FEAB CCc1ccc(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)s1 36611310 HSUBRUIGSSGDLG-LLVKDONJSA-N 360.354 2.280 0 40 FEAB CCn1nc(C)c(S(=O)(=O)NCC[C@H](C)n2nc(C)cc2C)c1C 36614546 AKGBRSIVJCAXQD-LBPRGKRZSA-N 353.492 2.263 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)n2cc(Br)cn2)cc1 36612374 YWKHWMHQODYMGD-UHFFFAOYSA-N 370.228 2.009 0 40 FEAB CN(C)CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F 72377175 OGQBCPSDDCYBBX-MRXNPFEDSA-N 357.433 2.480 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 85875310 SDLPABBRQSYSFV-AWEZNQCLSA-N 362.385 2.385 0 40 FEAB biogenic COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224165964 NQLWQTFFMVIENP-UHFFFAOYSA-N 366.414 2.027 0 40 FEAB O=C1N=C(c2ccccc2)N[C@@]12CC[C@@H]1CN(Cc3nccs3)C[C@@H]12 96061748 YZJMUJWQQUUFAS-ZRGWGRIASA-N 352.463 2.300 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNc2nc3cc(OC)ccc3o2)ncn1 582901449 ILXGZSKBRSZGGN-GFCCVEGCSA-N 354.414 2.749 0 40 FEAB CN(C)CC(=O)N1CCC2(CC1)CN(C[C@@H]1CCCO1)c1ccccc12 96241337 XBRAZMMOUZTKMO-KRWDZBQOSA-N 357.498 2.107 0 40 FEAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cccnc1OC 96197881 NTRYVFDGQMACLF-MRXNPFEDSA-N 356.426 2.083 0 40 FEAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N2CCCC2)s1 96057955 LFTOVKFTIKKNEJ-YQVWRLOYSA-N 364.511 2.427 0 40 FEAB Cc1nc(CN2CCOC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 96229293 LTBPVUJAJIIZAV-KRWDZBQOSA-N 352.504 2.048 0 40 FEAB COc1cc(N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)ncn1 96106213 BSLFMXKCYNLWFK-HNNXBMFYSA-N 356.426 2.335 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)C2CCOCC2)C3)cs1 248052999 SWKZZFINTZMEQQ-MRXNPFEDSA-N 366.483 2.155 0 40 FEAB O=C(N[C@H]1CCCc2ccccc21)C1CN(c2cc(-n3cccn3)ncn2)C1 253472718 OPMOMNMSRALBCS-SFHVURJKSA-N 374.448 2.292 0 40 FEAB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC[C@@H](Cn2cnnn2)CC1 253411498 ORJWKYZXZHZGBX-ZSYWTGECSA-N 374.533 2.202 0 40 FEAB COc1ccccc1CN(C)[C@H]1[C@H](N)C[C@@H](Oc2ccc(F)cc2)[C@@H]1O 257229588 FYRRZLHLLPJVFO-LMCOJAPRSA-N 360.429 2.174 0 40 FEAB CC(C)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36596927 MCPPDPJUTKTTCH-MRXNPFEDSA-N 356.426 2.140 0 40 FEAB biogenic Cc1noc([C@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@@H](C)O2)n1 628862121 NEAPFWAZBBVGKL-BDJLRTHQSA-N 359.382 2.142 0 40 FEAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(OCCF)cc1 585293246 SQUAQDYJAOZMNX-VAMGGRTRSA-N 363.404 2.495 0 40 FEAB COc1cccc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c1 25021654 DUEKZOKKTLIVPT-UHFFFAOYSA-N 363.391 2.106 0 40 FEAB CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 585088639 SJBPETQMYYXQLH-AUUYWEPGSA-N 363.458 2.231 0 40 FEAB CCn1nc(C)c(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1C 677793154 OLIZPIJYQGSVJY-UHFFFAOYSA-N 366.469 2.354 0 40 FEAB CCOC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c1 48985032 XEFMVWCZYQXLPG-ZDUSSCGKSA-N 374.393 2.346 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c(OC)c1 56027062 WQACFRCITLVOLF-HNNXBMFYSA-N 358.438 2.345 0 40 FEAB C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CN3C(=O)CNC3=O)c2)C1 84689667 BFAKFQLFDKGUGI-BBRMVZONSA-N 359.426 2.272 0 40 FEAB CCOc1c(F)cccc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 80176394 FKCPDTZOCPYLOG-UHFFFAOYSA-N 363.477 2.324 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615158284 LVOMLTVQPXCUAH-HXUWFJFHSA-N 351.406 2.120 0 40 FEAB CC(=O)CCCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161187 WOSQBLACRKPULU-HXUWFJFHSA-N 358.438 2.170 0 40 FEAB CCN(CC)c1nccc(CNc2ccc(C(=O)N3CCOCC3)cc2)n1 12143888 MCGIEINPCBRDDQ-UHFFFAOYSA-N 369.469 2.407 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)N4CCCC[C@@H]4C)c(=O)n3c2c1 12181533 BUMMVCVKDUXRPM-AWEZNQCLSA-N 368.437 2.367 0 40 FEAB O=C(COc1ccc(F)cc1F)N1CCC[C@H](c2n[nH]c3nccnc23)C1 12365096 FZLBNEIYZHLQNZ-NSHDSACASA-N 373.363 2.416 0 40 FEAB CCN1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)CC1 13639766 CPQQQQIEMSYPFS-UHFFFAOYSA-N 371.466 2.345 0 40 FEAB O=C(NCc1cccs1)c1nc(Cn2cc(Br)cn2)no1 15082464 YKOQMLROIDWQPY-UHFFFAOYSA-N 368.216 2.068 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 19341433 XYXIZKRVZQKZJB-ZDUSSCGKSA-N 374.397 2.449 0 40 FEAB Cc1cccn2cc(C(=O)Nc3ccc([C@H](O)Cn4cncn4)cc3)nc12 19718782 FJQAOQDZMUFWKE-QGZVFWFLSA-N 362.393 2.220 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 17012471 DPKLGLHFHHCYOQ-UHFFFAOYSA-N 369.444 2.487 0 40 FEAB O=C(c1ccnc(OCC2CC2)c1)N1CCC(Oc2ncccn2)CC1 253408010 XALOJWCQIBVXTO-UHFFFAOYSA-N 354.410 2.344 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)CCc4ccccc4F)C[C@H]3C2)ncn1 1889314304 IFTNJGKTSMEKMD-IAGOWNOFSA-N 354.429 2.452 0 40 FEAB Cn1nc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)ccc1=O 2086992582 LOPGEWQXSCHISB-UHFFFAOYSA-N 361.858 2.370 0 40 FEAB O=C([C@H]1CCOC1)N1Cc2c(-c3ccccc3)ncnc2-n2nccc2C1 1565551604 PNMHOHOLSZNQNO-HNNXBMFYSA-N 361.405 2.208 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)cs1 1565548101 RBFAHMYJOGUTHS-UHFFFAOYSA-N 372.494 2.354 0 40 FEAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccccn3)CC2)cc1 9069064 NZKZREPQKBDPOR-UHFFFAOYSA-N 366.465 2.357 0 40 FEAB O=C(Cc1ccccc1)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745757 YDTMCUIFPNKMOJ-HNNXBMFYSA-N 353.422 2.031 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H](CC)c2ccccc2)CC1 20807225 FUWGNFQICRJZSI-ROUUACIJSA-N 350.459 2.289 0 40 FEAB O=C(Nc1ccccc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23135127 MXAUJOSXSODSJX-UHFFFAOYSA-N 363.425 2.012 0 40 FEAB O=S(=O)(NCCn1ccn2nccc12)c1cccc(C(F)(F)F)c1 206746810 DJFJADNBXAWJCX-UHFFFAOYSA-N 358.345 2.133 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@H]1c1cccnc1 36701719 OVFQWIJLQXAHAB-VUCTXSBTSA-N 364.409 2.340 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)C1 8217114 OQUOYMULMHVULF-HOTGVXAUSA-N 358.438 2.150 0 40 FEAB Cc1ccccc1OCC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 40090529 XGCZNYWSFYHOAV-IRXDYDNUSA-N 374.481 2.248 0 40 FEAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(Cc2cccs2)CC1 40040466 DTHCQLILFGRYDK-UHFFFAOYSA-N 367.478 2.346 0 40 FEAB COc1ccccc1-c1nc(NC(=O)c2cnn3c(C)cc(C)nc23)n[nH]1 40154197 STQJRQQAZAOVDH-UHFFFAOYSA-N 363.381 2.392 0 40 FEAB Cc1ccccc1CN(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 30888167 SCHGMXYIUUCVEB-UHFFFAOYSA-N 351.406 2.319 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 102128331 QYESLRHFKHNRCI-GJZGRUSLSA-N 361.369 2.117 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1cccc(-c2nnn[nH]2)c1)c1ccccc1 32843441 DGMUHNSPQADVMT-INIZCTEOSA-N 359.393 2.120 0 40 FEAB CN(C)c1cccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 52824485 HHNCGQICHSRSMN-UHFFFAOYSA-N 360.479 2.488 0 40 FEAB Cn1c(CNC(=O)Cc2cccnc2)nnc1SCc1ccccc1 4932612 CSVFLEPJEFNSEA-UHFFFAOYSA-N 353.451 2.361 0 40 FEAB COc1ccc(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)cc1OC 7280341 NLOZMCYCXZPNEO-UHFFFAOYSA-N 367.361 2.324 0 40 FEAB COc1ccc(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 7970126 BSGMNKXFIGMAEZ-LBPRGKRZSA-N 369.373 2.432 0 40 FEAB NC(=O)Cc1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 10908530 QOIGBINOEXMJQV-UHFFFAOYSA-N 358.448 2.476 0 40 FEAB O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 55408522 RNDAUPYTEOSFBJ-JKSUJKDBSA-N 368.886 2.097 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCCC3)C2=O)cc1 3295990 WECZPGAGXVRWHR-LBPRGKRZSA-N 372.425 2.227 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 20634574 AQGACVVBZOGBKG-OAHLLOKOSA-N 364.829 2.247 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 22531734 OKNLNFSMNNCFJO-UHFFFAOYSA-N 367.814 2.063 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102574489 QIXLOBSYAGYSSQ-MCIONIFRSA-N 370.405 2.060 0 40 FEAB CC(C)[C@@H](Sc1nnnn1Cc1ccco1)C(=O)NCc1cccnc1 58201734 QXQIKMOBFHFYIC-OAHLLOKOSA-N 372.454 2.143 0 40 FEAB COc1ccc(CCN2CCN(CC(=O)NCc3cccs3)CC2)cc1 58305647 RTBQXRSBGZYEQZ-UHFFFAOYSA-N 373.522 2.233 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cs2)c(C)c1 10555643 DQMMYJBIRSUQGM-UHFFFAOYSA-N 353.469 2.375 0 40 FEAB Cc1nnc(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)s1 3342509 GQHFCKXDLYOJOE-UHFFFAOYSA-N 354.438 2.443 0 40 FEAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12C(=O)N(C)c1ccccc12 8916629 RXSFMPBURQSOHO-NRFANRHFSA-N 360.369 2.489 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 23977124 JNPYXBURRSLGRE-MRXNPFEDSA-N 366.508 2.408 0 40 FEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCC(C)C 22252962 MNQNFRUDBFKLER-UHFFFAOYSA-N 372.487 2.266 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@H](C)O1 12819702 SJFJUIMNCMAHLM-RYUDHWBXSA-N 370.291 2.462 0 40 FEAB Cc1ccc([C@H](OC[C@@H](O)CN2C(=O)CNC2=O)c2ccccc2)cc1 12878324 TYDWIGWMODGBBO-PKOBYXMFSA-N 354.406 2.014 0 40 FEAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(C(=O)c2ccco2)CC1 9157892 BUWNFKYGLXVNCS-HNNXBMFYSA-N 353.422 2.015 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NCCO 5279148 JCWMTPBGENDDTJ-CQSZACIVSA-N 354.406 2.225 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)ccc1Br 14121119 XXBFNSNVJAKDRY-ZDUSSCGKSA-N 368.231 2.272 0 40 FEAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O 4695948 BKMJTCIGXAPLAI-WWNSAXIVSA-N 364.423 2.394 0 40 FEAB CC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 14806075 VYGRRPNQCULVDV-UHFFFAOYSA-N 351.255 2.283 0 40 FEAB O=C(O[C@@H]1CCCC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6840847 TYIHORFSMDWTNA-MRXNPFEDSA-N 351.424 2.140 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C2=N/C(=C/c3ccc[nH]3)C(=O)O2)cc1 96635223 FGVFIVOYXZBVPW-RVDMUPIBSA-N 373.434 2.436 0 40 FEAB CN1CCCc2cc(C[C@@H]3[C@H](O)c4ccccc4S(=O)(=O)N3C)ccc21 9423269 DXUXQENNAZYJBA-UYAOXDASSA-N 372.490 2.348 0 40 FEAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(c2ncccn2)C1 9485602 JSFJHWAXBYXNOR-HNNXBMFYSA-N 364.409 2.059 0 40 FEAB Cc1nc(CN2CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)no1 112295426 FXXWKNUPUGLJDX-UHFFFAOYSA-N 353.426 2.055 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 9467047 QYOOCXKKCVMZKJ-UHFFFAOYSA-N 364.446 2.291 0 40 FEAB CCn1c(SCC(N)=O)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409158982 MFDALRIHIMZSFE-AWEZNQCLSA-N 361.471 2.003 0 40 FEAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O 84734437 PWTQVCRACDLREC-DLBZAZTESA-N 350.484 2.207 0 40 FEAB O=C(Cn1ccc(Br)n1)Nc1ccccc1N1CCCC1=O 95444383 SMUHPGJEXIKAHB-UHFFFAOYSA-N 363.215 2.411 0 40 FEAB CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)N(C)C 89949403 KCROAUUSEJGMKV-IBGZPJMESA-N 374.529 2.062 0 40 FEAB COCCOc1ccc(NC(=O)NCc2cc(=O)[nH]c3ccccc23)cn1 76091981 XATMVHOWMQRCHN-UHFFFAOYSA-N 368.393 2.270 0 40 FEAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22528730 OHELAFBMQHJDLW-CXAGYDPISA-N 360.435 2.091 0 40 FEAB O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCOc2cc(O)ccc2C1 553492687 HDUQFCRHOIVCFZ-HNNXBMFYSA-N 358.438 2.294 0 40 FEAB NC(=O)c1cccc(CCNC(=O)N2CCC(OC3CCCC3)CC2)c1 171084153 KDGAPZWAOUJRID-UHFFFAOYSA-N 359.470 2.461 0 40 FEAB Cc1c(NCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cccc1C(=O)NCCO 177242639 RKLIHABNLHDAIA-QFBILLFUSA-N 373.497 2.310 0 40 FEAB Cc1nc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)cs1 306132000 KVJVJQTUKYHRJB-NUEKZKHPSA-N 363.508 2.390 0 40 FEAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3C[C@@H](C)C[C@H](C)C3)NC2=O)cc1 35379654 BIYLAXXTVMHDRX-ZQIUZPCESA-N 372.469 2.246 0 40 FEAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(Cc2ccco2)CCO3)cn1 306141465 VWXMRALJQUVWAV-QUCCMNQESA-N 370.453 2.322 0 40 FEAB Cc1cc(N2CC[C@@H](NC(=O)N(C3CC3)[C@@H](C)c3ccco3)C2=O)n(C)n1 122876090 GQZQZFRKODEJJA-DZGCQCFKSA-N 371.441 2.362 0 40 FEAB COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC2)c1 36741397 GDTQHIFQDNAUBJ-HXUWFJFHSA-N 354.450 2.486 0 40 FEAB CCS(=O)(=O)N1CC[C@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 72383740 YUVSQDXFTINFCR-AWEZNQCLSA-N 361.471 2.371 0 40 FEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 72369677 GUEJBFGMEZQCPF-OAHLLOKOSA-N 350.426 2.383 0 40 FEAB O=C(NCCCn1ncccc1=O)c1ccc(Oc2nccs2)cc1 225637245 ZLNCVSFDRSRNFE-UHFFFAOYSA-N 356.407 2.312 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)c1 1583435103 OQOXZXWAJCQUPK-HNNXBMFYSA-N 367.405 2.023 0 40 FEAB CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CCN(Cc1ccco1)C2 96187460 QYHWRDHSSDLYMK-UHFFFAOYSA-N 351.410 2.228 0 40 FEAB COc1cc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)ncn1 96219992 KPJJVFVVEDSWEF-APWZRJJASA-N 356.426 2.225 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 96261631 DXPFPNHZQWKAHF-FUHIMQAGSA-N 355.486 2.061 0 40 FEAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H](Cc1ccccc1)n1cnnn1 96224147 RBABQNKBWRFXAE-INIZCTEOSA-N 353.430 2.490 0 40 FEAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 96044859 ZFMAJMGEVBMTEX-OAHLLOKOSA-N 359.474 2.357 0 40 FEAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cnccn3)c2C(=O)O)cc1 96296933 WSHJUDKPJHOMJL-SNVBAGLBSA-N 368.349 2.329 0 40 FEAB biogenic,in-vitro O=C(C1CC=CC1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 96207841 RSZGXWVLQXYGNS-QGZVFWFLSA-N 357.454 2.467 0 40 FEAB Cc1ocnc1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257231314 GGDHWZYCEHKFKT-ZVZYQTTQSA-N 370.409 2.020 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C4CCOCC4)CCN3C(C)(C)C2)cc1 253404002 QTZYLCCDQKUGIJ-HXUWFJFHSA-N 373.541 2.455 0 40 FEAB biogenic,in-vitro Cc1cnc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)s1 257205725 BAIZVCPOCSCZNZ-AWEZNQCLSA-N 366.512 2.499 0 40 FEAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2ccc(C)o2)C3)nc1 253600188 HQMGOWJKAXQFOQ-HNNXBMFYSA-N 356.426 2.420 0 40 FEAB CN(C)c1cccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257239206 HOJPIYLPQRKDEW-IBGZPJMESA-N 355.438 2.492 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 257205672 BACAUMYNLHTVIC-SFHVURJKSA-N 351.406 2.499 0 40 FEAB CC(C)(C(=O)O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 647741614 WUZXLIXRGCUNJZ-NSHDSACASA-N 372.343 2.033 0 40 FEAB Cc1sc2nc(-c3cccnc3)nc(N3CCO[C@@H](C(N)=O)C3)c2c1C 1167074713 DFNOIYUEBSYBRH-CYBMUJFWSA-N 369.450 2.061 0 40 FEAB NC(=O)c1cc2n(n1)CC1(CCN(Cc3ccc(C4CC4)cc3)CC1)OC2 1775961936 JGODLHLQHFWTLJ-UHFFFAOYSA-N 366.465 2.424 0 40 FEAB Cc1ccc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1F 96122085 RNFGEWXCZDNHMJ-UHFFFAOYSA-N 365.426 2.486 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 30205313 MLHILRVJLLOWFK-KRWDZBQOSA-N 353.374 2.213 0 40 FEAB Cn1nc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)ccc1=O 32936194 XZGXPWXSBRCWME-UHFFFAOYSA-N 360.369 2.391 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(CC2CCCCC2)CC1 60579021 TZTLZWWAMCQXLK-UHFFFAOYSA-N 354.454 2.261 0 40 FEAB C[C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)[C@H]1CNC(=O)OC(C)(C)C 75092434 AQFPKBBUBHAHLN-PMPSAXMXSA-N 370.490 2.334 0 40 FEAB COCCNC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)N(C)C)nc1 78672045 NROTZBKLRCOERL-SFHVURJKSA-N 356.470 2.481 0 40 FEAB Cn1nc(N2CCC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)C2)ccc1=O 85470897 SWPCYSCCTOAYTG-SJLPKXTDSA-N 366.465 2.191 0 40 FEAB COc1cccc(C(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)c1 1549162741 VJBRJKICBHXTBG-UHFFFAOYSA-N 352.390 2.254 0 40 FEAB Cc1nc2ncnn2c(N2CCC(C(=O)O)CC2)c1Cc1ccccc1 13564064 FNYMWBKJRHTYBH-UHFFFAOYSA-N 351.410 2.325 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)cc1 13690882 QAKWYLXSNUDLHZ-INIZCTEOSA-N 363.377 2.171 0 40 FEAB Cc1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19237309 MICVNHIFSHLEMY-UHFFFAOYSA-N 367.449 2.480 0 40 FEAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 19580433 XGQGHRNEDVPVEN-ZDUSSCGKSA-N 373.457 2.031 0 40 FEAB O=C(N[C@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1)c1cnccn1 19749201 PAGJQOLTWIZZFL-AWEZNQCLSA-N 350.426 2.137 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NC3CCN(C(C)C)CC3)C2)c1 19750438 XNRYMVCXVRDGAZ-KRWDZBQOSA-N 373.497 2.146 0 40 FEAB Cc1cccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19842036 SQNRMYDRQBWPDL-UHFFFAOYSA-N 368.433 2.447 0 40 FEAB O=C(O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CN1CCCCCC1=O 621581016 GGVPVGHHSZWPCG-HOTGVXAUSA-N 350.459 2.271 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2cc(O)nc(O)n2)C1 639730430 LNFGZXNZGVEXKJ-QWRGUYRKSA-N 362.817 2.358 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)n1 244969106 GYPLFXYHLAIPDI-AWEZNQCLSA-N 364.833 2.146 0 40 FEAB NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1 19374206 YDIQIUCVWUPUMG-JOCHJYFZSA-N 364.445 2.389 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)c1F 253471532 DAVZUFUKXZBKTG-NSHDSACASA-N 360.389 2.338 0 40 FEAB O=C1[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C(=O)N1Cc1ccccc1 1888859355 SEXANIXQIGAMKR-CALCHBBNSA-N 351.406 2.169 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@@H]3CN(c4ccccn4)C[C@H]32)c1 1889139341 LAVICOYJFVMENG-RDTXWAMCSA-N 353.422 2.450 0 40 FEAB Cn1ccnc1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 2037972610 HADUKMKTWQENBW-RBUKOAKNSA-N 373.497 2.139 0 40 FEAB COc1cnc(O[C@H]2CCN(c3ccc(Br)cn3)C2)nc1 2086966141 LOMLYJSZIDGDAB-NSHDSACASA-N 351.204 2.300 0 40 FEAB CCc1nc2c(c(=O)n1CC1CC1)CCN(C(=O)c1ccccc1)CC2 1565542048 GKBCUEPDTGXRRN-UHFFFAOYSA-N 351.450 2.457 0 40 FEAB CC(=O)c1sc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)nc1C 10252655 BTRJDOJWRJPVHF-UHFFFAOYSA-N 352.437 2.239 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(CCc1ccccc1)C2 2055814220 SFQFJAXFDWMZIX-OAQYLSRUSA-N 350.466 2.047 0 40 FEAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(C)on3)ccc21 22732656 OFLUWIDVSLRPEB-UHFFFAOYSA-N 356.426 2.053 0 40 FEAB O=C(NCc1cn(-c2cccnc2)nn1)C1(c2ccccc2)CCOCC1 575414495 SUBLNWGABDQPBO-UHFFFAOYSA-N 363.421 2.027 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 19572962 YUAQQNHDHZQIGH-YJBOKZPZSA-N 368.485 2.250 0 40 FEAB COC(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccccc1)n2C 101022393 LJXBOACHFNKDSV-MSUUIHNZSA-N 362.432 2.316 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1C 40005312 HQEGVRGSOCKUEF-MRXNPFEDSA-N 369.421 2.330 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@]2(C)CC(=O)N=C3C=CC=CN32)nc1C 40157963 QLADLALXLWGVIO-QGZVFWFLSA-N 374.422 2.040 0 40 FEAB Cn1ccnc1[C@@](O)(CCNC(=O)NCCc1ccccc1)C(F)(F)F 40121942 ZKYAJRVKPWEMNC-INIZCTEOSA-N 370.375 2.102 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621843 KHWMYTSEJQOBMD-BZSNNMDCSA-N 356.466 2.430 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1-n1cnnn1 20727094 KQCPKJFEXAHXAN-UHFFFAOYSA-N 370.344 2.021 0 40 FEAB COCCNC(=O)c1ccccc1NCC(=O)NCc1ccc(F)c(C)c1 21394991 ZEODETQHPGRBLK-UHFFFAOYSA-N 373.428 2.239 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 32842300 HDPFMDCLQOLTOD-LRDDRELGSA-N 370.384 2.176 0 40 FEAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccsc2)CC1 32817004 LRLIWMRHMSGAEA-KRWDZBQOSA-N 369.490 2.445 0 40 FEAB COc1ccc(Cl)cc1COC(=O)c1csc(S(N)(=O)=O)c1 18389044 JHMABCPGYXQGLA-UHFFFAOYSA-N 361.828 2.415 0 40 FEAB O=C(CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCCC1 42012366 JQQOSACAEVSMFO-UHFFFAOYSA-N 358.438 2.008 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 6351309 NJTKALGCOMVMCZ-UHFFFAOYSA-N 369.421 2.396 0 40 FEAB COc1cccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)c1 107913276 IXQNTJCICKWGPJ-ALKREAHSSA-N 360.410 2.131 0 40 FEAB CC(C)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 61719652 VGNJFTBQPFETKT-UHFFFAOYSA-N 360.483 2.250 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108324946 UZUQNEUUYHKYPF-MUQADHOPSA-N 372.465 2.209 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1CC 97021874 HIZAFIQSBSMKRY-GOSISDBHSA-N 363.483 2.307 0 40 FEAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCCCC1 25170056 PYTAQDWCHOFWPY-INIZCTEOSA-N 358.438 2.027 0 40 FEAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(c2ccccc2)CC1 57389705 PTVKFCNTAZPRJU-MRXNPFEDSA-N 364.449 2.182 0 40 FEAB CC(C)n1nnnc1SCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 22025340 ILFCEXWBZCHMIY-HNNXBMFYSA-N 374.514 2.252 0 40 FEAB Cc1c(CC(=O)NCCCCCC(=O)O)c(=O)oc2c(C)c(O)ccc12 2098276 SZFVOYUIBASGIE-UHFFFAOYSA-N 361.394 2.419 0 40 FEAB biogenic Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)o1 58182539 WVWGWGJZWMISAK-KRWDZBQOSA-N 363.320 2.272 0 40 FEAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ncccc2O)cc1 58201221 ZYYJJUNQOSSOJD-CQSZACIVSA-N 356.382 2.340 0 40 FEAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 105216325 WILIVLNMUBRNBN-ANRXMYNZSA-N 374.433 2.398 0 40 FEAB CSc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12769125 MTPFFAJSENXDBQ-UHFFFAOYSA-N 355.419 2.441 0 40 FEAB CCCN(CCN(C)C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58049241 QMXJMYZTZVMHGU-UHFFFAOYSA-N 357.462 2.481 0 40 FEAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1cccc(F)c1F 45545747 AMNXKVLSFMVDST-SNVBAGLBSA-N 373.450 2.363 0 40 FEAB Cn1c(COC(=O)C2(Cc3ccccc3)CCCCC2)cc(=O)n(C)c1=O 11597303 ZTLXZHQEGPYQNU-UHFFFAOYSA-N 370.449 2.320 0 40 FEAB Nn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 11520286 FYFLSRCONSVVEA-UHFFFAOYSA-N 358.467 2.209 0 40 FEAB Cc1nn(C)c2sc(C(=O)NCc3ccc(-n4ccnc4)nc3)cc12 29220820 DENRZVZMERNPDA-UHFFFAOYSA-N 352.423 2.454 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccn(-c3ccccc3)n2)cc1 60357742 UIGDIKODNREETD-UHFFFAOYSA-N 357.435 2.402 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12853240 JQHHVVJEBUPHJT-CABCVRRESA-N 354.834 2.184 0 40 FEAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(N)=O)c1 3454793 VLMXRQBFDDSCEE-UHFFFAOYSA-N 369.352 2.329 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 3594593 SAOPFHLNYWTGIY-HXUWFJFHSA-N 367.380 2.466 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 3531950 CNNGZNRWEAELMM-QFYYESIMSA-N 350.444 2.218 0 40 FEAB Cc1cc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1F 12994756 VCBQOXXUYZFRMX-UHFFFAOYSA-N 362.426 2.386 0 40 FEAB Cc1nnc(SCn2nnc3ccccc3c2=O)n1-c1ccccc1 6110603 USHZMADKKKYERX-UHFFFAOYSA-N 350.407 2.430 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)cc1 9172178 BLBZIZDAVDOYKA-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB O=C(CNC(=O)COc1ccccc1)NCCOc1ccc(Cl)cc1 13987675 HMEJNCSOKNWCOD-UHFFFAOYSA-N 362.813 2.030 0 40 FEAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H]3CCC(=O)NC3)n2)cc1 72063668 ZFZDHDVBCFGUFH-OAHLLOKOSA-N 356.426 2.187 0 40 FEAB COc1ccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]c2c1 5345135 FJPZYULDUOBTEN-UHFFFAOYSA-N 353.378 2.368 0 40 FEAB O=C(NC1CCN(CN2C(=O)C(=O)c3ccccc32)CC1)c1ccccc1 14134788 CIHYLGSDWAGYBX-UHFFFAOYSA-N 363.417 2.068 0 40 FEAB NC(=O)CN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 14119665 AFJZGAGAIPWJBD-UHFFFAOYSA-N 369.490 2.193 0 40 FEAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 5487173 MCUJYJBIOVVMAJ-UHFFFAOYSA-N 367.336 2.411 0 40 FEAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531296 AGJMHTNZVWVJND-UHFFFAOYSA-N 374.466 2.449 0 40 FEAB CCOc1ncccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 14518151 LWRCQRXVYXWPEJ-MRXNPFEDSA-N 374.462 2.310 0 40 FEAB Cn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1C1CC1 6610504 OXHQERFQRLTPCI-UHFFFAOYSA-N 366.468 2.039 0 40 FEAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)C(=O)OC 6640876 OPKXPDLKLJWDGG-RCBQFDQVSA-N 366.433 2.284 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCc4ccccc43)ccc21 4770435 MVADOCCEMNRZRB-UHFFFAOYSA-N 371.462 2.409 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993096 IORBCSNSQPXSIN-NSHDSACASA-N 365.817 2.393 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccccc3C)nc2c1 7133843 VYRKOOXGXUXOKE-UHFFFAOYSA-N 352.346 2.375 0 40 FEAB Cc1csc(N(C)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)n1 174213692 VNLFSLQZVURVOR-UHFFFAOYSA-N 361.471 2.374 0 40 FEAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 68430110 QNLZMNXZVLINOR-KBPBESRZSA-N 373.453 2.390 0 40 FEAB COc1ccc(-c2cc(C(=O)O)c3c(=O)[nH]c(=O)n(CC(C)C)c3n2)cc1 8395195 GRNPWJAOUPKSAL-UHFFFAOYSA-N 369.377 2.115 0 40 FEAB COC(=O)c1ccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 8538445 YBZDUQGVIVTIMH-UHFFFAOYSA-N 356.378 2.299 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCCSc1ccccc1 8504508 JHYFXHFTFASKFH-UHFFFAOYSA-N 364.496 2.297 0 40 FEAB Cc1cccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 19902158 OPMQGTATUHUYDO-UHFFFAOYSA-N 359.514 2.440 0 40 FEAB O=C(Nc1cncc(Br)c1)N1CCC[C@@H](N2CCCC2=O)C1 95975668 BCOLPCQOYCPSKO-CYBMUJFWSA-N 367.247 2.463 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409016195 STJBNABVQWYLJM-ZPBHHCQCSA-N 351.380 2.389 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 72350590 DUOJGMJHWNCPRJ-MRXNPFEDSA-N 363.421 2.447 0 40 FEAB CC(=O)c1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c(C)c1 32622540 ZDQHRPDWEQMHDR-UHFFFAOYSA-N 368.798 2.264 0 40 FEAB CC(C)c1nnc2c(=O)n(CC(=O)N3CCCCC3)c3ccccc3n12 64871700 ATJLRXMGYYIIKL-UHFFFAOYSA-N 353.426 2.180 0 40 FEAB COc1ccccc1NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 32124192 KBFNPWAIPVXMNX-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB biogenic CN1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 73173831 IZJVJFKJODZLEO-UHFFFAOYSA-N 352.438 2.292 0 40 FEAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 223297173 SPDMMGWMRQCNKP-UHFFFAOYSA-N 374.340 2.370 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC2CCN(c3ccccn3)CC2)cc1 43941365 FWEXQGGLDMGNIR-UHFFFAOYSA-N 368.437 2.062 0 40 FEAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(CCc3ccccc3)CC1)C2 225518606 LLKBSCYNZHAURV-GOSISDBHSA-N 352.482 2.210 0 40 FEAB Cc1cc(CN2CC3(C[C@@H](OCc4cnccc4C)CCO3)C2)n(C)n1 248004913 BQSHWWNBKQMSAK-IBGZPJMESA-N 356.470 2.382 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2)ccn1 257203708 ARHAIKICMWZYCG-IBGZPJMESA-N 358.486 2.257 0 40 FEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H]2[C@H]1CCCC(=O)N2C 257237311 HFXHCVVDMRWFDW-HZPDHXFCSA-N 354.454 2.187 0 40 FEAB O=C(Cn1c(O)nc2ccccc2c1=O)N1CC[C@@H]1c1cccc(F)c1 608213484 FSIRABNXGGQWDQ-MRXNPFEDSA-N 353.353 2.215 0 40 FEAB O=C1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)N1 617789962 YXEFDETVDHNRMP-CYBMUJFWSA-N 356.253 2.311 0 40 FEAB CN(C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)nn1 643669063 BYZMUOBKHTVXFZ-CQSZACIVSA-N 350.419 2.208 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 663228219 TTYZBPWFQKJDSB-SJORKVTESA-N 356.422 2.480 0 40 FEAB CN1CCC(C(=O)N2CC[C@H](c3cn4cccc4c(N(C)C)n3)C2)CC1 585182569 SNJZNGLTZYESAQ-INIZCTEOSA-N 355.486 2.058 0 40 FEAB O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(F)cc1 585284375 XOOPQPOVUPPXEY-ICSRJNTNSA-N 367.461 2.088 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cnnc(C)c1)CC2 630162143 XYLRGLXHXKWUQS-HNNXBMFYSA-N 371.393 2.017 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)[nH]2)CC1 685941772 IHMPDYXXZQEAEQ-SJORKVTESA-N 358.486 2.393 0 40 FEAB C[C@H]1CCc2[nH]c3c(C(=O)N[C@@H](C)C(=O)N4CCOCC4)cccc3c2C1 68791772 ZURBVNRCPRPGGJ-KBPBESRZSA-N 369.465 2.270 0 40 FEAB Cc1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)o1 1549162790 VUYKUBJJCWOUMP-LJQANCHMSA-N 367.449 2.479 0 40 FEAB CCN1CCc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2C1 15880186 WIDXVXNSDFRHHJ-UHFFFAOYSA-N 365.480 2.177 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 17075895 VCJCQZXLKHQWJE-NEPXVJNWSA-N 370.449 2.285 0 40 FEAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NC[C@@H](C)O)CCOCC2)C1 19236959 PLORORJDYQVXAH-HZPDHXFCSA-N 360.454 2.172 0 40 FEAB NCCn1nc([C@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 19348804 IJTZBSMQDSVKRN-AWEZNQCLSA-N 356.861 2.428 0 40 FEAB C[C@H](O)CNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19456431 FKWHENWWZVBYEA-XJKSGUPXSA-N 364.417 2.003 0 40 FEAB CCc1nc(CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)no1 19523173 GYCHKUKGTLNMGZ-UHFFFAOYSA-N 353.304 2.317 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@@H](C(=O)N2CCCCC2)C1 19747240 IERWQMZIWJMIKI-QGZVFWFLSA-N 355.438 2.330 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19934932 QARYUPAIBRFNGJ-UHFFFAOYSA-N 356.397 2.441 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 169680693 QNGZHUIMYNMKNW-IMJJTQAJSA-N 353.397 2.378 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1OC 4308718 DUAOFCBCLOUFIR-BUXKBTBVSA-N 360.410 2.387 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1 4475480 FWCUWUMWFPDNIN-VXGBXAGGSA-N 363.439 2.473 0 40 FEAB Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1cccnc1 5936623 LVROUCSRWIXOIX-UHFFFAOYSA-N 358.471 2.153 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 5938421 HNGRGXRIJXXFFE-UHFFFAOYSA-N 359.769 2.064 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccco1 5935016 OGILMPLSGCGNOC-IAGOWNOFSA-N 355.438 2.047 0 40 FEAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 6934345 UUMVSOWQBJZXHM-UHFFFAOYSA-N 350.827 2.337 0 40 FEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3cccnc3O)C2)nn1 1888849464 TYAYGQRSXMVPKG-CYBMUJFWSA-N 356.426 2.416 0 40 FEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4c3ncn4C)CC2)n1 1888896939 FFQQXPMZCASKPB-UHFFFAOYSA-N 371.420 2.205 0 40 FEAB COc1cc(OC)nc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889114176 PSZWZMAQKHSRGB-UHFFFAOYSA-N 364.837 2.042 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cncnc3)CC2)CN1c1ccccc1 2037841166 YXOBRKVNVOCPCX-FQEVSTJZSA-N 352.438 2.265 0 40 FEAB CC(=O)N1CCCCN(Cc2nccn2C)CCOc2ccccc2C1 2037985416 JHHFXZGDRDPKBT-UHFFFAOYSA-N 356.470 2.443 0 40 FEAB Cc1nc2ccc(N3CCN(Cc4nc(C(C)C)no4)CC3)nn2c1C 2087022433 IXJGEOGTVPTKPK-UHFFFAOYSA-N 355.446 2.175 0 40 FEAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1cccc(Cl)c1 4570035 MBJJCSPRRJINQN-UHFFFAOYSA-N 373.771 2.430 0 40 FEAB Cc1nc(C)c(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)s1 9844017 FACGDZJYYQMYCR-UHFFFAOYSA-N 354.435 2.414 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccco3)cn2)cc1 13809142 BSKPLRJUXARRJO-UHFFFAOYSA-N 353.378 2.218 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2cccc(F)c2)C1 2055747117 JWUAQLOBJKUDAD-HXUWFJFHSA-N 373.403 2.337 0 40 FEAB Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(N2CCCC2)n1 49410919 OHNFHYHVJHXRNO-UHFFFAOYSA-N 352.438 2.131 0 40 FEAB O=C(Cn1sc2ccccc2c1=O)Nc1nnc([C@H]2CCCO2)s1 40267137 RMXCYWKMILWBAH-SNVBAGLBSA-N 362.436 2.405 0 40 FEAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)nn12 32088194 GAAGDYOSIGIYIB-HNNXBMFYSA-N 368.416 2.105 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1 101359042 FSKCWQRLCYVXIW-NVXWUHKLSA-N 370.336 2.135 0 40 FEAB CCn1ncc(CN(C)C(=O)c2nn(C)c(C)c2Br)c1C 2777706 KPWICGWCUGAWID-UHFFFAOYSA-N 354.252 2.288 0 40 FEAB Cn1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc21 47383916 BHDSJJYCVLDRKG-FQEVSTJZSA-N 362.389 2.485 0 40 FEAB CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)n(-c2ccc(OC)cc2)n1 12416953 YKQNGCBVEKBWFL-UHFFFAOYSA-N 368.393 2.320 0 40 FEAB O=C(c1cnccn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 3956373 UBQXARYUGDDVDW-UHFFFAOYSA-N 357.483 2.452 0 40 FEAB Cc1noc(C2CCN(C(=O)c3nn(-c4ccccc4F)cc3O)CC2)n1 104147636 PLNVRADEBTZCSL-UHFFFAOYSA-N 371.372 2.428 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3OC)ccc21 4969120 ULJJGVPGWPPSDW-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 6885444 UBICBXKVTPFDDD-UHFFFAOYSA-N 352.843 2.325 0 40 FEAB Cc1cc(C(=O)/N=c2/sc3ccccc3n2C)ccc1-n1cnnn1 104427441 TXLNCNFBSQNQHK-HTXNQAPBSA-N 350.407 2.265 0 40 FEAB CCCc1n[nH]c(=S)n1CC(=O)N1CCN(c2ccccc2F)CC1 12533739 COOKSYKLDQXGHG-UHFFFAOYSA-N 363.462 2.381 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F 8169479 VMJPUQJCSMSSFP-UHFFFAOYSA-N 368.405 2.408 0 40 FEAB Cc1c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C 3277470 UFETUQMWVOQZLU-GASCZTMLSA-N 356.470 2.401 0 40 FEAB CC[C@]1(O)C[C@@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@@H]31)[C@@H]25 104059163 SLUFFIKFMLYKDM-WVESZWSISA-N 352.434 2.024 0 40 FEAB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 57316533 MISRFRWAYHUPSN-UHFFFAOYSA-N 362.802 2.250 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)cc1 12600686 WXKBZZYSCKFWJN-LJQANCHMSA-N 356.353 2.484 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 43948666 LFTAFURTKCJYLZ-QFBILLFUSA-N 372.494 2.305 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)nc1 43998661 ULVOCAXEAZEJDG-HUUCEWRRSA-N 359.426 2.311 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnc2ccccn12 26277568 FYMUYAVKKSHJGV-HNNXBMFYSA-N 350.426 2.322 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)c1 12612804 VLVRNTKYYUVBJT-QGZVFWFLSA-N 368.389 2.442 0 40 FEAB CC(C)C(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C(C)C 20245150 KOHKVBGVWZDGSN-UHFFFAOYSA-N 373.494 2.235 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3311600 PHIVQMNSQNDMDW-SNVBAGLBSA-N 358.268 2.478 0 40 FEAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(Cl)cc1F 22372720 PKHNUOZTZGRZFP-UHFFFAOYSA-N 358.778 2.193 0 40 FEAB CCOc1nnc(CN2CCC(NC(=O)c3cccs3)CC2)s1 58173490 GBMSEIZLYIYTHR-UHFFFAOYSA-N 352.485 2.393 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)[C@@H]4CCOC4)CC3)CC2=O)c1 108532284 PZWBDNJWWMSBIL-GOSISDBHSA-N 356.466 2.373 0 40 FEAB CC(=O)NCCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 27672091 WLPIYSIMIGSUIB-UHFFFAOYSA-N 373.413 2.001 0 40 FEAB Cc1csc(SCC(=O)NC(=O)[C@H]2COc3ccccc3O2)n1 3308755 NNRGPEUIAPCMTC-GFCCVEGCSA-N 350.421 2.026 0 40 FEAB O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404273 WPYFFKKZBUIZRX-CHWSQXEVSA-N 350.378 2.091 0 40 FEAB CC1CCN(C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 58311570 JIMAOEPWFSHHMA-KRWDZBQOSA-N 368.485 2.246 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 58341592 JURSYOMDPKBLQH-RDTXWAMCSA-N 370.405 2.101 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 58402812 GZMHJFIBYAVFID-AWEZNQCLSA-N 360.454 2.301 0 40 FEAB COc1ccc(S(=O)(=O)NC2(c3noc(C)n3)CCCC2)cc1C 59829211 LSCHJMOQHXWUGI-UHFFFAOYSA-N 351.428 2.443 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4082237 MDFGDESDVKWBNI-NVTQBHAOSA-N 350.440 2.188 0 40 FEAB biogenic CC(C)OC(=O)c1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 4341199 VPNDTSCAFQJZRR-UHFFFAOYSA-N 356.378 2.368 0 40 FEAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 6391379 CFECZSVPXYSXCF-UHFFFAOYSA-N 370.434 2.365 0 40 FEAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505428 MTPIZTRLVIZDDJ-CQSZACIVSA-N 359.513 2.182 0 40 FEAB Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc(O)cc(O)c12 6623919 CJFIPVBLJOWHEY-UHFFFAOYSA-N 353.374 2.414 0 40 FEAB biogenic COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 5858750 GHCVNPUEWIEJNO-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCOc2ccccc21 7215839 QXGRMKGZPPIANE-INIZCTEOSA-N 350.374 2.313 0 40 FEAB O=C(CN1CCNCC1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 68267575 ORSHYOQFPGJQBC-UHFFFAOYSA-N 369.265 2.095 0 40 FEAB CC(C)NC(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000089 LKIICTRCFOMXGI-OAHLLOKOSA-N 361.490 2.242 0 40 FEAB O=C(CNC(=O)NC1CCCCC1)NCc1ccccc1-n1ccnc1 91212229 KJBDEEAJWCQCGW-UHFFFAOYSA-N 355.442 2.120 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 9315234 GUVNRHQBSWKVEV-HXUWFJFHSA-N 369.396 2.251 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nnnn1C1CCCCC1 8351596 LLGVMYGYKSERQL-UHFFFAOYSA-N 366.472 2.070 0 40 FEAB CC(=O)NCCNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 9483941 MXBWOEVBRSRFBN-UHFFFAOYSA-N 356.451 2.320 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2COc3ccccc32)cc(C)c1C 84086062 FBGKJZRWYMDUGX-OAHLLOKOSA-N 360.435 2.075 0 40 FEAB O=c1/c(=C/c2cc3c(cc2Cl)OCO3)sc2nc3cccnc3n12 408989455 UIHDBLPFRWFDTN-ACAGNQJTSA-N 357.778 2.234 0 40 FEAB O=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 95960917 UJSIDDXJFSCUSV-CQSZACIVSA-N 351.834 2.417 0 40 FEAB CCc1ccc(NC(=O)Cn2c(N3CCCC3)nc(COC)cc2=O)cc1 67256837 PPVXXTMLQPCKAY-UHFFFAOYSA-N 370.453 2.191 0 40 FEAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)sc1C(C)C 72403159 RJQUMHQXMXDZBE-LLVKDONJSA-N 367.471 2.496 0 40 FEAB O=C(Cc1ccc(Br)cc1)N[C@H]1CCN(C2CCOCC2)C1 1565520066 CCRCYQBQWBPOSK-HNNXBMFYSA-N 367.287 2.361 0 40 FEAB O=C(NCCc1ccncc1)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 567607348 HNDHIKJCNMSLPA-GASCZTMLSA-N 361.348 2.136 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(C)cc2)CC1 225775859 IFOKIFYCSBQIQW-UHFFFAOYSA-N 360.439 2.428 0 40 FEAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3ccccc32)cc1OC 225717806 XDGQICYJTKSYAZ-UHFFFAOYSA-N 366.417 2.378 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 222633076 YSUAMRJFYYOFST-UHFFFAOYSA-N 362.451 2.415 0 40 FEAB COc1ccc(CCNC(=O)N2CCC[C@H](Oc3cnccn3)C2)cc1 225476373 CMLPZZVAZZIJIH-KRWDZBQOSA-N 356.426 2.281 0 40 FEAB CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2c1=O 75424224 ZJAJJATUXSFIQW-UHFFFAOYSA-N 364.361 2.435 0 40 FEAB COc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)c1 40309591 TUKRZMBMIUIOOO-IBGZPJMESA-N 351.362 2.475 0 40 FEAB biogenic Cc1cc(Br)ccc1NC(=O)C(=O)NCCc1ccccn1 42646261 ULLWEBKRPDDGAH-UHFFFAOYSA-N 362.227 2.450 0 40 FEAB CCc1cnc(CCNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 578957981 FYTGRBNRXUNOAA-UONOGXRCSA-N 372.494 2.239 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227534 OCTFQMFMTBILLS-NQIIRXRSSA-N 367.424 2.318 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 95478863 TYLLTWLVJJKBNN-OAHLLOKOSA-N 356.470 2.120 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1cccnc1 96206114 QNIPDGDCYSLQLV-XYJFISCASA-N 357.479 2.439 0 40 FEAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(OC)cc1)CC2 96260310 MGCCLYBESHQSJT-UHFFFAOYSA-N 368.481 2.117 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C(=O)[C@@H]1C 246161032 IRXZEPJFEKWJDT-OUAUKWLOSA-N 367.243 2.267 0 40 FEAB CCOC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648572 RBAFYCGFHZOGBJ-QRVBRYPASA-N 361.463 2.369 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(CO)C(=O)O)cc1 242548436 LLKLXAPTIPKSQG-JZXOWHBKSA-N 364.394 2.137 0 40 FEAB CC(C)N1C(=O)CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)CC[C@@H]21 257226688 FLRIWNVHIRKKDS-OALUTQOASA-N 356.466 2.416 0 40 FEAB COCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257211921 CBBVYHNNRDQBKP-PBHICJAKSA-N 368.861 2.029 0 40 FEAB Cc1cc2nc(C3CCN(C(=O)c4ncccc4C)CC3)cc(O)n2n1 257314796 UYMCLHJSULCCIZ-UHFFFAOYSA-N 351.410 2.467 0 40 FEAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC[C@@H]1O 257334398 YFSLRBZZDJWLJP-HKUYNNGSSA-N 369.465 2.419 0 40 FEAB COc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 257302602 SDNJVBADWYXDOA-QGZVFWFLSA-N 354.397 2.003 0 40 FEAB CC(C)CCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604381288 GRERFZZQNIYTDZ-LJQANCHMSA-N 372.513 2.335 0 40 FEAB biogenic,in-vitro COC(=O)c1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1N 619579857 PEDBGKXRRDRCAI-UHFFFAOYSA-N 351.366 2.197 0 40 FEAB Cc1noc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H](C)O2)n1 628858439 YNXWGDCPZDOXEL-IAQYHMDHSA-N 355.398 2.176 0 40 FEAB O=C(O)c1cnn(C2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@H]43)CC2)c1 630192332 NHYTWWKLGZMUED-KZNAEPCWSA-N 351.406 2.331 0 40 FEAB O=C(NCCC(=O)N1CC[C@H](n2ccnn2)C1)c1ccc2ccccc2c1 640503462 QGRFYWKXHQOJLS-SFHVURJKSA-N 363.421 2.025 0 40 FEAB O=C1NCCC[C@H]1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1 661309601 BCARJZLNKXASRA-INIZCTEOSA-N 357.454 2.082 0 40 FEAB CN(c1ccccc1)c1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 680650360 JHBSEFHZTNEEMQ-SFHVURJKSA-N 350.422 2.191 0 40 FEAB CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)n[nH]1 97531413 WTZWJWXQHSZCSS-ZDUSSCGKSA-N 370.413 2.122 0 40 FEAB biogenic CCN1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@]12CCOC2 1615589847 WFACSQMPOWCVAL-KRWDZBQOSA-N 352.818 2.006 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2cccnn2)CC1 96119373 STYKLMOEURVEDP-UHFFFAOYSA-N 353.831 2.362 0 40 FEAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1cccs1 575406949 YYPLEDLLGFLGQZ-OAHLLOKOSA-N 358.467 2.335 0 40 FEAB C[C@@]1(c2cnccn2)NC(=O)N(Cc2cc(F)ccc2OC(F)F)C1=O 585093533 PDUSTLLQZLODBF-INIZCTEOSA-N 366.299 2.184 0 40 FEAB CNc1cnc(C(=O)N2CCC[C@](COc3ccccc3)(OC)C2)nc1 585277043 RSLSCZXWKFMJNX-IBGZPJMESA-N 356.426 2.219 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cc(C)cc(C)c1)C2 585102870 LMDXHHOHMXUQGI-SFHVURJKSA-N 366.527 2.224 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 585112357 NZXAUQBJICTBBC-HNNXBMFYSA-N 368.528 2.139 0 40 FEAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 585102865 LLUFLOZJESVRSQ-INIZCTEOSA-N 352.438 2.092 0 40 FEAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC(C)C)nnc12 35528744 UHORRDWXMVQCFS-UHFFFAOYSA-N 361.471 2.363 0 40 FEAB C[C@@H](OC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCOCC1 12825699 JUPYBBQCUPBDHP-RPTYSRGTSA-N 368.227 2.253 0 40 FEAB COCCNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 14095901 AAZOKAOJEWOZFL-UHFFFAOYSA-N 354.476 2.179 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)NCCSc2ccccc2)cc1 18214853 HPUNPKBQLAPKCV-UHFFFAOYSA-N 350.465 2.117 0 40 FEAB Cc1nc(C)n(CC(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)n1 19118957 BVWNXNDKXRQYTB-UHFFFAOYSA-N 364.453 2.100 0 40 FEAB CSc1nnc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)n1C 19288786 BQOIAAUQFHOBJX-MRVPVSSYSA-N 374.392 2.267 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1 19370815 ZCIBFZDHQPFIRZ-KRWDZBQOSA-N 362.437 2.359 0 40 FEAB O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 19375469 BOXYYAFFZCXHCM-RTBURBONSA-N 364.449 2.100 0 40 FEAB CNc1nc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2 19711503 ZNQOLIOWPMWFCZ-HNNXBMFYSA-N 357.502 2.450 0 40 FEAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3cc[nH]n3)CC2)c1 19749669 ARKCNPHCTCDUCZ-OAHLLOKOSA-N 356.426 2.185 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2ccccc2[nH]1 5628310 PRFVFYOQBFBUOP-UHFFFAOYSA-N 359.432 2.500 0 40 FEAB CCc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)no1 2037984667 JIRNGVAFKDMJQI-KDOFPFPSSA-N 369.421 2.131 0 40 FEAB Cc1cc(OC[C@H]2CO[C@@H]3CN(C(=O)Cc4ccccn4)C[C@@H]32)cc(C)n1 1565542424 YUPFERHECHFISO-PWIZWCRZSA-N 367.449 2.188 0 40 FEAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12 2712242 FPXJBTYDNUJCMT-UHFFFAOYSA-N 372.421 2.002 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NCc1ccco1 5187639 OCNYAKBBBOOPRE-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB CN(C1CCN(c2ccc(C(C)(C)C)nn2)CC1)S(=O)(=O)C1CC1 2086889400 SJQGZJOKQNHXBU-UHFFFAOYSA-N 352.504 2.167 0 40 FEAB CN1c2ccc(F)cc2N(CCNC(=O)Nc2cccs2)S1(=O)=O 575612975 PBEGESPSKDUWJG-UHFFFAOYSA-N 370.431 2.210 0 40 FEAB Cc1nc(N2CC(C(=O)N3CCOCC3)C2)c2c3c(sc2n1)CCCC3 2298216155 YMCIMSPUONOHME-UHFFFAOYSA-N 372.494 2.174 0 40 FEAB Cc1ccc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c(O)c1 31286696 KAMKTJDTJIPVKG-UHFFFAOYSA-N 362.451 2.026 0 40 FEAB CC(=O)N1CCC(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 40107511 ZPLJZPAWOWFETJ-IBGZPJMESA-N 360.454 2.119 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2nc(-c3ccncc3)no2)n1 40142492 OVKPPSQGYCYNLA-ZDUSSCGKSA-N 368.441 2.330 0 40 FEAB O=C1N(CN2CCOCC2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 20533191 MOCXQFVQVUKMHM-OAQYLSRUSA-N 363.417 2.040 0 40 FEAB C[C@@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102235549 VFZCHUJIRVNHLG-DVZHBHJUSA-N 373.482 2.401 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 32879970 KWNRHHWTIOVFDA-UHFFFAOYSA-N 354.454 2.206 0 40 FEAB CCOc1ccc(OCC)c(NC(=O)Cn2cnc3ncccc3c2=O)c1 32904864 DIVZBVGNBIXUAG-UHFFFAOYSA-N 368.393 2.228 0 40 FEAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(N(C)C)nc2)CC1=O 22396043 FZJHMVMJCDXUEQ-CQSZACIVSA-N 368.437 2.456 0 40 FEAB O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NC1CC1 1371480 SIDJKKSBEXLILL-UHFFFAOYSA-N 352.416 2.300 0 40 FEAB O=C(NCCOc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 2170554 IBGSMXMLCOHJFI-GOSISDBHSA-N 374.462 2.035 0 40 FEAB O=C(O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 2665387 DKIDUEFGXKKXNI-WZYWGQKZSA-N 354.399 2.316 0 40 FEAB biogenic COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1 23235019 LBNDCAMMFJPRMA-UHFFFAOYSA-N 369.468 2.329 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 6589866 JDUORSAEOVRQIR-JTQLQIEISA-N 354.815 2.442 0 40 FEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)c1ccccc1 6824133 YGSGNONRMYNTDL-CYBMUJFWSA-N 361.419 2.365 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccccc1)S(C)(=O)=O 916114 QWMRUOHUEWKFCI-OAHLLOKOSA-N 358.463 2.426 0 40 FEAB Cc1nc(S(=O)(=O)[C@H](C)C(N)=O)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107493606 DUODPSKFBLZYGA-AICCOOGYSA-N 353.488 2.145 0 40 FEAB CCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O 57486521 KUBSZBBVXCKDJH-UHFFFAOYSA-N 353.426 2.232 0 40 FEAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NC(C)(C)C)cnc21 57428323 ZQIXVXHAZCQSDA-UHFFFAOYSA-N 373.844 2.459 0 40 FEAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12737367 VCBHLUNAGWEOOW-CQSZACIVSA-N 350.484 2.054 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 28207851 OSXNJFFVKUHJRV-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCC(C)C)S(C)(=O)=O 22252216 IPMWLFVYPPUCEW-UHFFFAOYSA-N 372.487 2.266 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 58316577 FZTQFZPQSGILIB-HOTGVXAUSA-N 370.902 2.374 0 40 FEAB COc1ccccc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20449960 WAQPMSSQVVOGKB-ZHACJKMWSA-N 364.423 2.332 0 40 FEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)CCOc1ccccc1F 29141280 ALHSUYVXMTYYPP-LLVKDONJSA-N 365.430 2.324 0 40 FEAB Cc1cc(NC(=O)CSc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 29270359 UMTGDQRQAJYRSH-ZDUSSCGKSA-N 365.480 2.282 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)CCN3CCSC3=O)cn2)n1 46310643 NQXMFNZJXPLPMR-UHFFFAOYSA-N 359.455 2.059 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccccc2F)cc1 8942643 VOCDIIVTEXDBLC-UHFFFAOYSA-N 351.403 2.197 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1 28233695 GONQTJMCYRJTJS-UHFFFAOYSA-N 350.375 2.476 0 40 FEAB O=C1NC(=S)N/C1=C/c1cc(Br)c(Br)o1 408849149 YARSJOOBSKFHNV-GORDUTHDSA-N 352.007 2.150 0 40 FEAB CC(C)CCNC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 71288547 DNEICDHGXGHULV-UHFFFAOYSA-N 366.893 2.334 0 40 FEAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(F)cc1 6107553 LUSUTQHGNXLZKV-ZETCQYMHSA-N 372.472 2.374 0 40 FEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2c(c1)OCCO2 5253392 PJUQFKUALRFGSL-UHFFFAOYSA-N 371.780 2.460 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14171273 HYJDCSPUAGKBFA-ZDUSSCGKSA-N 350.440 2.281 0 40 FEAB CN(CCS(=O)(=O)Oc1ccccc1)C[C@H]1COc2ccccc2O1 14202091 KXHXXRWQDWMKCG-INIZCTEOSA-N 363.435 2.167 0 40 FEAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2)c2nn[nH]n2)c1 5483521 ZDZVOCCMLCNVDX-OAHLLOKOSA-N 353.382 2.182 0 40 FEAB COc1cc(CC(=O)OCC(=O)N2CCC[C@@H](C)C2)cc(OC)c1OC 5475671 AQYPXWFLMNNVBG-CYBMUJFWSA-N 365.426 2.057 0 40 FEAB CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 4700843 XKDXTPFJSFKSPY-XNTDXEJSSA-N 352.346 2.486 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 9338446 QEDHWMWGXQUCAC-UHFFFAOYSA-N 374.418 2.386 0 40 FEAB CCN(C(=O)CSc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 7141417 IOKGBYUCBRYZES-AWEZNQCLSA-N 364.492 2.363 0 40 FEAB C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1sccc1C(N)=O 9497787 FHDPDFLIOLNTTK-ZETCQYMHSA-N 368.798 2.390 0 40 FEAB Cc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)n2ncnc2n1 81012994 LPILTFHVCQISCM-UHFFFAOYSA-N 364.453 2.104 0 40 FEAB CCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc2c(c1)OCCO2 7907267 OPHIOFHOJVQRBX-UHFFFAOYSA-N 369.421 2.357 0 40 FEAB Cc1cccn2c(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)nc12 69448208 BVPWKNOBBCAAJJ-UHFFFAOYSA-N 352.413 2.464 0 40 FEAB COC(=O)CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CCOCC1 72314224 UGYBWJSTAVFDJM-KBPBESRZSA-N 353.365 2.297 0 40 FEAB C[C@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)NCc1ccc(F)cc1 9722251 BJALGLWKBVXNCV-NSHDSACASA-N 359.357 2.178 0 40 FEAB C[C@H](NC(=O)NCCSCc1ccnc(Cl)c1)c1nncn1C 95468911 YZNVFBKXYDYJAO-JTQLQIEISA-N 354.867 2.157 0 40 FEAB CN1CCN(CC(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1=O 95960984 YWZKPOVVXDFMCD-UHFFFAOYSA-N 371.412 2.117 0 40 FEAB CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COC2CCCCC2)C1 502499443 FTRDDSLYCNSXIQ-TZMCWYRMSA-N 350.381 2.394 0 40 FEAB CC1(O)CCN(c2cc(N3CCc4nc(C5CC5)ncc4C3)ncn2)CC1 528198932 XVOZGOAWDTVQSP-UHFFFAOYSA-N 366.469 2.058 0 40 FEAB Cc1ccn2ncc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)c2c1 536583122 ICCPRROUFMIZJC-CYBMUJFWSA-N 355.423 2.343 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217565785 YMCIHMOZERCKFL-LLVKDONJSA-N 356.444 2.053 0 40 FEAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 211100135 KLDGJUKYUUEENF-UHFFFAOYSA-N 360.361 2.040 0 40 FEAB COCc1cc(NC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)ncn1 567030579 DWIFWJHLLZAQCV-IBGZPJMESA-N 368.393 2.265 0 40 FEAB CN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@H](c2ccccc2)C1 329018606 LBWACHHFNGJSAC-OALUTQOASA-N 363.461 2.423 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCCCCC2)c1 47214559 CVWQDYJXQXPJOB-UHFFFAOYSA-N 369.439 2.215 0 40 FEAB CN([C@@H](C(=O)NCCCOC1CCCC1)c1ccccc1)S(C)(=O)=O 224774006 VECVXZKGBWMRMS-QGZVFWFLSA-N 368.499 2.085 0 40 FEAB Cc1ccc2ncn(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2c1 40127925 RIOHWZWRZYKANT-DZGCQCFKSA-N 356.426 2.109 0 40 FEAB Cc1csc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1 571020279 JKEGAVRYUPBSAV-GFCCVEGCSA-N 350.465 2.427 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cn[nH]c2)CC1 194130088 JNSICLHAUWKKPU-UHFFFAOYSA-N 352.316 2.027 0 40 FEAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 46830856 QYNWHWNZZMOTSU-JKSUJKDBSA-N 363.458 2.342 0 40 FEAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2c(C)noc2C)n1 224008077 SNVBWWYFIHAPGH-UHFFFAOYSA-N 362.411 2.471 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccc(F)c1)C2 96237748 CKVLZKYTGJCHPH-NRFANRHFSA-N 367.424 2.389 0 40 FEAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 578827602 VNJZWYLEPNOXJX-CQSZACIVSA-N 368.503 2.738 0 40 FEAB COc1cccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1 96259359 RKXMZHGXFZHQRU-UHFFFAOYSA-N 368.437 2.060 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)c2ccccc2)C1 96244421 FGAGIVKIPLVBMI-FQEVSTJZSA-N 352.438 2.165 0 40 FEAB COCC[C@H]1CCOC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 247912258 YPOLVYPCLVJDQL-INIZCTEOSA-N 361.438 2.392 0 40 FEAB Cc1cccc(C)c1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 247874900 NNOKUKBHPFCGLZ-HRCADAONSA-N 350.484 2.374 0 40 FEAB O=C(c1ccoc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252538283 MVQZESIWOXLULL-UHFFFAOYSA-N 353.378 2.353 0 40 FEAB Cc1nccc([C@@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 257200735 AERGVPXWNZYIMT-GOSISDBHSA-N 353.470 2.408 0 40 FEAB COc1ccc(OCC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cc1 257327057 WZSFGUBNMHSQKQ-CQSZACIVSA-N 357.410 2.074 0 40 FEAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(=O)O)c2)C1 257210057 BSYAQWKOYIBDSK-OAHLLOKOSA-N 355.394 2.194 0 40 FEAB COCC(=O)N1CC(c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257241361 HXUHBLMPUSJMFU-UHFFFAOYSA-N 367.331 2.206 0 40 FEAB CCOc1cc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)ncn1 681230846 IKSWOXNXGIGHAB-INIZCTEOSA-N 362.861 2.384 0 40 FEAB COc1ccc(CCC(=O)NCCn2ccnc2-c2ncccn2)cc1 96099067 CEYUHQMBPQDGQY-UHFFFAOYSA-N 351.410 2.098 0 40 FEAB COc1ccccc1N1CCN(Cc2nnc([C@@H]3CCCOC3)o2)CC1 644229088 FFJSHHLINHMZCP-OAHLLOKOSA-N 358.442 2.294 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(CN)c2)cc1C 646581157 YWZWNAFGMFWCPV-UHFFFAOYSA-N 361.467 2.021 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C 575423746 QBVWYKKPEBRGHU-INIZCTEOSA-N 373.540 2.446 0 40 FEAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CS2)C1 575403836 OXQUGQPHYBKIAY-CYBMUJFWSA-N 362.542 2.268 0 40 FEAB CCOC(=O)c1cnn2c(C(=O)N3CCC[C@@H]3c3ccncc3)ccnc12 89984908 OVRWSTQAGMNJEB-OAHLLOKOSA-N 365.393 2.278 0 40 FEAB Cn1cnc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615120304 JZWSJYQRLQMUQH-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CSc1nnc([C@@H]2CCCN2CC(=O)NCc2cccs2)n1C 5001603 LVASNZJTOPETAB-LBPRGKRZSA-N 351.501 2.052 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781229 HBBGVNFSUJHXFE-UHFFFAOYSA-N 363.373 2.331 0 40 FEAB O=C(c1ccncc1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268185 HGGZGFQQJKAWMT-AWEZNQCLSA-N 362.393 2.054 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccncc1 15099222 VBTVKFQXYIBCJB-UHFFFAOYSA-N 359.329 2.175 0 40 FEAB O=C(c1cc(-c2ccncc2)c(N2CCOCC2)s1)N1CCC[C@H](O)C1 19405648 FECSYVOYMQNBFP-HNNXBMFYSA-N 373.478 2.244 0 40 FEAB C[C@H](Cc1ccccn1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 19457108 RZHIODHECWGSMC-LLVKDONJSA-N 368.842 2.416 0 40 FEAB CCc1nccn1C[C@H](C)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 19523558 TUFAOBRNTMHCCU-HNNXBMFYSA-N 372.444 2.205 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@H](Cc2ccsc2)c2nccs2)c(=O)n1 19572372 SSBBEZYGBDVGGR-CQSZACIVSA-N 374.491 2.478 0 40 FEAB Cc1[nH]n(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)c1C 19577054 FTCFFBDLNAUVKM-SFHVURJKSA-N 359.426 2.078 0 40 FEAB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)c1C 8277328 CIYWBJPNHLUEHP-FLIBITNWSA-N 353.334 2.144 0 40 FEAB O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2ncsc2-c2ccccc2)C1 527364927 FODLLWGKGMXMTK-CQSZACIVSA-N 356.451 2.486 0 40 FEAB O=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@@H]2CCOC2)c1 252488793 IZCXGDXEHTYJAN-QGZVFWFLSA-N 368.437 2.175 0 40 FEAB CC(C)(C)c1cn2nc(OCC3CCN(S(C)(=O)=O)CC3)ccc2n1 1888866281 QNKVYLLSRFLKLV-UHFFFAOYSA-N 366.487 2.077 0 40 FEAB CC(C)NC(=O)[C@@H]1OC2(CCN(C(=O)[C@H]3CCOC3)CC2)c2ccccc21 1565553905 GVQDKEIVIJPHQL-MAUKXSAKSA-N 372.465 2.137 0 40 FEAB CNC(=O)CSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 4354246 FPINZKBZTUZXAG-UHFFFAOYSA-N 362.455 2.135 0 40 FEAB CCNC(=O)c1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 4580517 XPXXGGKOODUDAW-IBGZPJMESA-N 367.430 2.321 0 40 FEAB COC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 11856493 WGIBNQJZILTRHN-UHFFFAOYSA-N 371.389 2.244 0 40 FEAB CC(C)Oc1cccc(C(=O)N2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)c1 2055837455 DFPWLGPFFJUTSF-LPHOPBHVSA-N 356.426 2.312 0 40 FEAB c1cc(C2CC2)nnc1OCC1CCN(c2ccc3nncn3n2)CC1 1775965877 NJPAMXHBZZEXEK-UHFFFAOYSA-N 351.414 2.087 0 40 FEAB Cc1cc(CN2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)n(C)n1 585138571 FPYLVJAUZBSJAH-KOLCDFICSA-N 372.313 2.302 0 40 FEAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 40154421 XYEXYDMGCADAMF-GDBMZVCRSA-N 370.540 2.096 0 40 FEAB CCC(=O)N1CCc2cc(C(=O)NCCc3nnc4ccccn34)ccc21 40143737 NAIXBPUTEAXQKA-UHFFFAOYSA-N 363.421 2.001 0 40 FEAB CNc1nc(SCCn2nc3ccccn3c2=O)nc2ccccc12 31844495 OYFPTJWAKJANLK-UHFFFAOYSA-N 352.423 2.273 0 40 FEAB COCCCn1cnnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 32738722 STVDWSHOUDQQPF-LBPRGKRZSA-N 352.435 2.423 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc(Cl)cc21 32776712 RSDCFGLELMLILJ-MRXNPFEDSA-N 371.824 2.378 0 40 FEAB CCc1noc([C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 32760189 NDEMXPNQYKLPGO-LLVKDONJSA-N 370.500 2.197 0 40 FEAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3nc4ncccn4n3)c12 32883012 CPUJRHJVZWGASE-UHFFFAOYSA-N 373.419 2.326 0 40 FEAB COCc1nnc(NC(=O)COc2cccc(Br)c2)s1 959330 WVJUIKHSPQXJRL-UHFFFAOYSA-N 358.217 2.465 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 1426006 RJQIFBUBSVJKCA-UHFFFAOYSA-N 361.419 2.298 0 40 FEAB O=C(COC(=O)c1cncn1-c1ccccc1)NCc1ccccc1F 23053347 YWFLCKLLYUUPTN-UHFFFAOYSA-N 353.353 2.485 0 40 FEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCc2ccccc21 6822920 ZILCDPGVYBXCEE-UHFFFAOYSA-N 361.448 2.206 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102614654 RCWKFRDWFNFKGV-VQHPVUNQSA-N 369.396 2.354 0 40 FEAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 8433733 OFCJGEZTQGMSOA-UHFFFAOYSA-N 358.394 2.420 0 40 FEAB Cn1nc(C(=O)/N=c2/sc3ccccc3n2C)c2ccccc2c1=O 103040142 NMBSDHKDKSCQEL-VHEBQXMUSA-N 350.403 2.228 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 107324784 OGJORKYMDLSCNA-RFGFWPKPSA-N 356.513 2.310 0 40 FEAB COc1cc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1O 48082496 YTFUJBDSWJQFKF-UHFFFAOYSA-N 372.425 2.296 0 40 FEAB COc1cc(CNC(=O)COc2ccc(C=O)cc2)cc(OC)c1OC 26808053 QGRXYTOIHMWLLA-UHFFFAOYSA-N 359.378 2.220 0 40 FEAB O=C(NCCc1cc(F)cc2c1OCOC2)N[C@H]1c2ccccc2C[C@H]1O 84579425 RBVNRBIENVGCTA-MSOLQXFVSA-N 372.396 2.192 0 40 FEAB COc1ccccc1S(=O)(=O)NCc1ccccc1N1CCOCC1 58192972 REHNIXPZCSSERM-UHFFFAOYSA-N 362.451 2.010 0 40 FEAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccn(CC(N)=O)n1 58224721 HXLBNCXMXUQZNQ-QMMMGPOBSA-N 357.197 2.081 0 40 FEAB COC(=O)c1cc(NCC(=O)N2CCc3ccccc32)cc(C(=O)OC)c1 58337920 RBNKVICTSDIZER-UHFFFAOYSA-N 368.389 2.261 0 40 FEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](C(F)(F)F)C1 36398816 ONOJLFUMCJCEDO-UWVGGRQHSA-N 356.348 2.458 0 40 FEAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 28207192 DIWMACCPLSHQDL-CQSZACIVSA-N 362.451 2.193 0 40 FEAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 45403707 VOKLEZZTQTXESZ-DZGCQCFKSA-N 369.425 2.235 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccccc1F 28913025 CIQJTBFPMUWPTO-HNAYVOBHSA-N 356.353 2.089 0 40 FEAB Cn1ncc2c(SCCCSc3ncnc4c3cnn4C)ncnc21 11685305 JVBZPZPZUMEZPM-UHFFFAOYSA-N 372.483 2.315 0 40 FEAB CCOC(=O)N[C@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48311506 PFTDGKCWYYRXJW-LBPRGKRZSA-N 353.806 2.416 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)c1ccc2nnc(C(F)(F)F)n2n1 12866491 AWEURFPZMDGUIR-JTQLQIEISA-N 365.315 2.419 0 40 FEAB Cc1cc(C)c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)c1 6057377 ZWZZFZJXHQLCPN-UHFFFAOYSA-N 367.409 2.462 0 40 FEAB COc1ccc(-c2nc(CC(=O)OCC(=O)N(C)C)cs2)cc1OC 6006968 GJYXEEANYMCTHX-UHFFFAOYSA-N 364.423 2.001 0 40 FEAB Cn1ccnc1-c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 95369211 QDORWRLUPQJEMG-UHFFFAOYSA-N 359.389 2.436 0 40 FEAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 14167211 RPAVWQKPIBHPHI-BEFAXECRSA-N 358.369 2.033 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccccc1F 6548835 FUYXBBPXLCTIFR-CYBMUJFWSA-N 370.380 2.077 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](Cc2ccc(Nc3ccccn3)nn2)C1 72363577 CHCRJTDHJCZLPA-CQSZACIVSA-N 361.471 2.219 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21 7040948 HSYBBWCVLQUZCS-GFCCVEGCSA-N 351.362 2.358 0 40 FEAB CCOc1ccc(-n2c(=O)[nH]c3sc(C(=O)N(C)C)c(C)c3c2=O)cc1 67334667 SXLMIJOHCAKMRL-UHFFFAOYSA-N 373.434 2.149 0 40 FEAB Cn1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc21 67685443 IUXMOBJONXZDJH-CQSZACIVSA-N 353.397 2.391 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2sccc2c1=O 7495155 WZKVDYAVSQSKLQ-UHFFFAOYSA-N 368.418 2.222 0 40 FEAB CN1CCN(c2cc(C(=O)Nc3ccccc3-n3cccn3)ccn2)CC1 68320164 NPIAKZKAVPFDNC-UHFFFAOYSA-N 362.437 2.271 0 40 FEAB Cc1ccc(NC(=O)CN2CCCC2)cc1S(=O)(=O)N1CCCCC1 7786168 CABWCJULEOGPBQ-UHFFFAOYSA-N 365.499 2.204 0 40 FEAB O=C(COC(=O)C1(c2ccccc2)CCC1)NC(=O)NCC(F)(F)F 16377129 VLJKMUPFDXNMEA-UHFFFAOYSA-N 358.316 2.040 0 40 FEAB Cc1c(Cl)cccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 16313236 HXKNRAAGHFIDMX-UHFFFAOYSA-N 364.833 2.346 0 40 FEAB Cc1cc(NCCNC(=O)[C@@]2(C)CCc3ccccc3C2)n2ncnc2n1 81459423 HZWCBDNCHYAVKP-FQEVSTJZSA-N 364.453 2.156 0 40 FEAB O=C1C[C@H](c2nc(-c3ccncc3)no2)CN1c1ccc2c(c1)OCO2 17170440 GIDFERHPQPJXNS-LBPRGKRZSA-N 350.334 2.381 0 40 FEAB Cc1cccc(OCCNC(=O)CSc2nnnn2-c2ccccc2)c1 8447935 NCBRUSVQYUHDFA-UHFFFAOYSA-N 369.450 2.258 0 40 FEAB O=C(Cn1cnc2c(Br)cccc2c1=O)C1CCOCC1 92260604 BQYMOULCTNUJOH-UHFFFAOYSA-N 351.200 2.155 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(O)c1 61720168 YPPYIBMDMGLHQE-HNNXBMFYSA-N 368.437 2.251 0 40 FEAB COCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)no1 548022895 WLXAZSSKCOPWNL-RYUDHWBXSA-N 353.419 2.225 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccccc1Br 409379906 BLHOBQKCVRVHDC-FJJYHAOUSA-N 352.184 2.432 0 40 FEAB Cc1cc(N2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n2ncnc2n1 306132865 LUTIFAVKEZEKBQ-MRXNPFEDSA-N 361.409 2.097 0 40 FEAB Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CN(C)C[C@@H](C)O4)n3)nc2)n1 527545722 LQOBEYHKPLLEBX-CZUORRHYSA-N 354.414 2.326 0 40 FEAB Cc1ncc(CN2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cn1 72373116 FOAZPBLSEJMUTK-RTBURBONSA-N 366.465 2.241 0 40 FEAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1cc(F)c(F)c(F)c1 71285448 YEXZMQFSHIBZQX-UHFFFAOYSA-N 355.341 2.089 0 40 FEAB O=C1N(C2CCCCC2)C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN12 77266348 WVNJSXWWEVEBAJ-MRXNPFEDSA-N 363.483 2.130 0 40 FEAB biogenic,in-vitro O=C(CCn1ncc(=O)c2ccccc21)NCCCOc1ccccc1 40009597 JZCXKCZLOGQMDG-UHFFFAOYSA-N 351.406 2.372 0 40 FEAB Cc1cccc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220093223 RXOANZXKQSMTJE-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB Cc1ccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222418205 UJAFEVGEXGKDHO-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB COCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225351612 KRITYKOXTJOGTN-VBKFSLOCSA-N 360.435 2.290 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1cccnc1)C2 96238042 NAZVJSLTTPJBIC-FQEVSTJZSA-N 354.429 2.144 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1 96259334 VQWRWDAXBZHFKJ-UHFFFAOYSA-N 374.510 2.382 0 40 FEAB COCCN1CC2(CCN(Cc3cccs3)CC2)[C@@H](COC)C1=O 96209083 DTQOTOODVWICLG-INIZCTEOSA-N 352.500 2.082 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107303 GVZAZLLRJTUXBJ-XLIONFOSSA-N 353.422 2.457 0 40 FEAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96240791 PEEMXBLBVKKINC-INIZCTEOSA-N 366.408 2.358 0 40 FEAB Cn1cc(CN2CCC(F)(F)[C@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 96239778 MTVPJBXABKLUOA-MRXNPFEDSA-N 366.391 2.087 0 40 FEAB COc1nn(C)cc1C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 96024935 ANSSFFWJBLMXSA-UHFFFAOYSA-N 350.806 2.161 0 40 FEAB COc1cccc(N2CCC[C@@H](NC(=O)c3occ4c3CCOC4)C2=O)c1 585081835 JZWIKKPGOFQVIX-QGZVFWFLSA-N 370.405 2.286 0 40 FEAB Cc1cccnc1C(=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257327802 XCUFFGASJODPRB-BLVKFPJESA-N 370.409 2.200 0 40 FEAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C3CCOCC3)CCN21 253398219 GSSGKYBAHVTAHD-IBGZPJMESA-N 357.498 2.086 0 40 FEAB biogenic,in-vitro Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1NS(C)(=O)=O 24891551 GTASETCNKCHMFJ-UHFFFAOYSA-N 371.422 2.200 0 40 FEAB CCOc1ccc(CN2CCOC[C@@H](Cc3ccncn3)C2)cc1CO 257212113 CBZYIVDMOMQIRA-KRWDZBQOSA-N 357.454 2.059 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(F)cc1 260825498 GVYOGMMPUISJGH-SECBINFHSA-N 371.459 2.477 0 40 FEAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1 260843554 ZPFIJFSHEKKISW-UGSOOPFHSA-N 358.419 2.242 0 40 FEAB CC[C@@H]1OC2(CCN(C(=O)c3cc(C)ccc3N3CCCC3)CC2)NC1=O 1615588301 BJCMCGIJMFRNAI-SFHVURJKSA-N 371.481 2.453 0 40 FEAB Cn1ccc([C@@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 390830719 MVOREEDCGNMDAX-MRXNPFEDSA-N 356.426 2.053 0 40 FEAB O=C(O)c1cccnc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 647455195 QLWWFAMLISOKIB-SFHVURJKSA-N 366.465 2.176 0 40 FEAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1 585102631 CRDRZWUJEAVSTM-CBJHCWRLSA-N 361.461 2.127 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)c(O)n1 585277908 XOEKGQPOLMKVFL-FQEVSTJZSA-N 356.422 2.450 0 40 FEAB C[C@@H](Nc1ccc(F)c(NC(=O)c2ccsc2)c1)C(=O)NC(N)=O 56158117 MIEXKAICADMKMV-MRVPVSSYSA-N 350.375 2.135 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 37553565 OMDQZMLDERXUOG-UKRRQHHQSA-N 367.467 2.317 0 40 FEAB O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCN(c2ccccc2O)CC1 102466116 INXMSMOUBPUXKU-UHFFFAOYSA-N 367.384 2.074 0 40 FEAB Cn1c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cnc1Cl 79108443 FIMNNFSBUFIUEC-LBPRGKRZSA-N 365.846 2.476 0 40 FEAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)N[C@H]2C=CCCC2)CC1 583623636 DDKLQHKNRFJTIP-RDJZCZTQSA-N 369.531 2.473 0 40 FEAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccnn1C)c1ccccc1O2 12086454 BPNPHRWDXZSTQP-MGPUTAFESA-N 368.437 2.055 0 40 FEAB Cc1nc2cc([C@H]3CCCN(C(=O)c4ccncc4)C3)nn2c(O)c1C 12134229 UDENMLCNDRIRIZ-HNNXBMFYSA-N 351.410 2.467 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225259 KQSRTGXWTFYQBW-UHFFFAOYSA-N 355.394 2.089 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 15498879 FBAQDPBZSWZYPT-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB Cc1nn2c(=O)cc(COC(=O)COc3ccc(C)c(C)c3)nc2s1 15733949 XOCCDRBGLDYXAF-UHFFFAOYSA-N 359.407 2.198 0 40 FEAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 16637383 MZBJMUYCLPGLQZ-CQSZACIVSA-N 356.488 2.401 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCC(=O)N1 19589058 MZTMRIVKDLSQLA-GNBUJSLZSA-N 355.482 2.134 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 19704888 XDHASNWRAGINNJ-CQSZACIVSA-N 363.421 2.174 0 40 FEAB COc1ccc(-c2ccnc3cc(C(=O)NCC4(C)COC4)nn23)cc1 19716731 HLDZGWMBURXPEU-UHFFFAOYSA-N 352.394 2.171 0 40 FEAB CC(C)(C)NC(=O)CN(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 4898544 NLSODZVZXVSPLY-NSHDSACASA-N 352.431 2.353 0 40 FEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NC2CCCC2)c1OC 2624779 YQXVEBSZUCUVNM-BQYQJAHWSA-N 355.412 2.023 0 40 FEAB CCSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 4119783 MCXBZAMNMCHDLO-UHFFFAOYSA-N 369.512 2.282 0 40 FEAB CCc1cnc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)nc1 1888859579 XMZNDOGIRGKZLN-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB Cc1cc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)nc(C2CC2)n1 1888860534 VYCHLXPQHDPBHP-UHFFFAOYSA-N 353.474 2.153 0 40 FEAB CS(=O)(=O)c1ccc(CCC(=O)NCCSC2CCOCC2)cc1 238825577 DQXWRXAGDPHIJN-UHFFFAOYSA-N 371.524 2.051 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)c1 2037913150 WFSTXIGBKXGBRJ-FQEVSTJZSA-N 357.454 2.241 0 40 FEAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cc4ccccc4n3C)C2)C1 2056214952 KSDCEONQXGUVTR-UHFFFAOYSA-N 354.454 2.444 0 40 FEAB COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(O)c2)C3)cc1 9134920 AERDLJABDUWXNC-SFHVURJKSA-N 365.389 2.398 0 40 FEAB Cc1ccccc1C(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739011 GZWQFOWVPFSRIT-CQSZACIVSA-N 353.422 2.410 0 40 FEAB COc1ccc(-c2ccc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 40012151 PIQXLTVOMZJJHC-AWEZNQCLSA-N 363.435 2.191 0 40 FEAB Fc1ccc(-c2n[nH]cc2CNC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 40091409 DXZHCRDPTLZNMY-LPHOPBHVSA-N 374.460 2.043 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32475132 YFXULESFSVOGHR-GOSISDBHSA-N 369.808 2.096 0 40 FEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccccc1C 22056756 OUZZBJAUXGBGNU-UHFFFAOYSA-N 373.405 2.152 0 40 FEAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 22193185 BUQRTPDWKNBTPG-INIZCTEOSA-N 367.405 2.415 0 40 FEAB Cc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)N(C)C)c1nnnn12 1376925 JAWKPOWFUVTGQJ-INIZCTEOSA-N 368.441 2.249 0 40 FEAB O=C(NCc1ccccc1)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 4260441 RSOMPZWLRASPJT-MTQWCTHYSA-N 368.433 2.237 0 40 FEAB biogenic,in-vitro COC(=O)[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1 22989182 ALAGOJNJHCFFCW-KRWDZBQOSA-N 351.362 2.398 0 40 FEAB CC[C@H](Sc1nc2ccccc2c2nc(C)nn12)C(=O)N1CCOCC1 2969141 CHTUYORVHHTNJG-HNNXBMFYSA-N 371.466 2.315 0 40 FEAB Cc1ccc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1 4985040 UJKQBZINHLYGPU-UHFFFAOYSA-N 351.366 2.181 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6934243 KSPIJCWMSBFJCG-UWVGGRQHSA-N 363.277 2.031 0 40 FEAB COC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 54248883 IAKHYTQCRAYKKZ-UHFFFAOYSA-N 354.384 2.287 0 40 FEAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCCCC1 25170058 PYTAQDWCHOFWPY-MRXNPFEDSA-N 358.438 2.027 0 40 FEAB COC(=O)c1ccccc1NC(=O)CNCCc1ccc(OC)c(OC)c1 3217191 SSWWCDXHQATPEI-UHFFFAOYSA-N 372.421 2.261 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 25913022 WIWICCVEFLZUOJ-ZDUSSCGKSA-N 361.419 2.050 0 40 FEAB O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 56978795 DMXRPVBEYFRQDN-JSGCOSHPSA-N 370.236 2.271 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108532744 CGBDNIQCBWVXOQ-OAHLLOKOSA-N 371.441 2.347 0 40 FEAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57525603 NDRBMKULPKZAED-UHFFFAOYSA-N 361.760 2.131 0 40 FEAB CC(=O)N[C@H](CC(=O)Nc1cccnc1-n1cncn1)c1ccc(C)cc1 57995167 JZODOWOJVFEETA-QGZVFWFLSA-N 364.409 2.177 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc2ccccc2c(=O)[nH]1 9643107 UTZDXMRTTIWHLM-UHFFFAOYSA-N 365.389 2.243 0 40 FEAB Cc1ccc(N2C(=O)N(C[C@H](O)COCc3ccco3)C(=O)[C@@H]2C)cc1 48234429 YXKDRWFCYBDORH-HOCLYGCPSA-N 358.394 2.323 0 40 FEAB Cc1ccc(-n2ncc(C(=O)N3CCN(c4ncccn4)CC3)c2C)cc1 12883510 FTIXDZCHKARRJJ-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB COCCCn1cnnc1SCC(=O)NCc1cccc(Cl)c1 10834297 MYMZNHOTBZSZMW-UHFFFAOYSA-N 354.863 2.377 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 28672245 XJTNDGAHERSCMM-INIZCTEOSA-N 368.433 2.315 0 40 FEAB O=C(CNc1ccc(-n2cnnn2)cc1)N1CCSc2ccccc21 29940783 NTJGJWNGOVJZQG-UHFFFAOYSA-N 352.423 2.213 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 3505773 YENHSYTYJWRSJD-UHFFFAOYSA-N 355.423 2.162 0 40 FEAB Cc1cc(NC(=O)/C=C/c2cccc(F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 12918128 GTLLXKYOGCQJGN-LLYBFZRZSA-N 363.414 2.342 0 40 FEAB C[C@H]1Sc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2NC1=O 9515206 BEPQNFBVDSYCMB-SECBINFHSA-N 367.386 2.060 0 40 FEAB CC(C)CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 63112776 TVZLDJUVVCYQSN-FQEVSTJZSA-N 371.525 2.457 0 40 FEAB Nc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n[nH]1 13684255 SSARJBDLKPLDQX-UHFFFAOYSA-N 352.729 2.185 0 40 FEAB CN([C@@H]1CCNC1)S(=O)(=O)c1ccc(Br)cc1Cl 71310267 KBGRRTFMJNPTIJ-SECBINFHSA-N 353.669 2.085 0 40 FEAB COc1ccccc1/C=c1\s/c(=C\C(=O)Nc2ccc(C)cc2)[nH]c1=O 7016029 DRKSDIQVYLWIHG-KODDWTJMSA-N 366.442 2.001 0 40 FEAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7995613 UDNDYHJOAWCRLI-CYBMUJFWSA-N 369.421 2.234 0 40 FEAB CCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 8094401 LWKUAPREJMYDDP-AWEZNQCLSA-N 374.268 2.000 0 40 FEAB Cc1nc2nc(C(=O)N3CCCCC3)nn2c(O)c1Cc1ccccc1 18221995 LLJAJWVDZFCXLV-UHFFFAOYSA-N 351.410 2.355 0 40 FEAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1c[nH]c2ccccc12 8734496 VAJGRCYSUDOELW-UHFFFAOYSA-N 361.357 2.342 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 408590946 HJJBIPATJFUQPW-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB CN1C(=O)C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 89374739 RHRNQVYZSGDCCS-UTKZUKDTSA-N 368.408 2.391 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 75106148 OLSVYEFAKPDSGB-HZPDHXFCSA-N 361.486 2.126 0 40 FEAB Cc1cccc(Cc2cnc(NC(=O)[C@@H]3CCS(=O)(=O)C3)s2)c1 39995560 SJDSMCIRBSJVGH-CYBMUJFWSA-N 350.465 2.416 0 40 FEAB COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cccc(OC)c21 32124270 QOMWKIDXUJSLJO-ZDUSSCGKSA-N 350.440 2.061 0 40 FEAB biogenic COc1cccc(C(N)=O)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2 40159379 MVCNHGCOBDWCMR-UHFFFAOYSA-N 358.438 2.258 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 223612891 SFHIXCPVWPGBRO-UHFFFAOYSA-N 366.870 2.465 0 40 FEAB O=C(CC1CC1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244300 WNWZKRCMUZADHR-HXUWFJFHSA-N 350.422 2.339 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 96159783 YYHFXKCEFFETQM-HXUWFJFHSA-N 354.454 2.053 0 40 FEAB Cc1cnn([C@@H]2CCN(C(=O)NCc3cc4ccccc4n(C)c3=O)C2)c1 580987902 SEHCSHRBZBCQMH-QGZVFWFLSA-N 365.437 2.200 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1 96159606 XUSCMKBMOUAWIM-HXUWFJFHSA-N 350.422 2.050 0 40 FEAB C/C(=C\C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccncc1 584907896 BEWZSGKBXBWJIP-DHZHZOJOSA-N 351.815 2.180 0 40 FEAB O=C(c1cc(F)cc(F)c1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247802079 GLOHGDAKEXCQNE-CYBMUJFWSA-N 374.391 2.488 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2nnc3ccccc32)C1 257310631 UFXSFGRGJYYLEA-OAHLLOKOSA-N 352.442 2.334 0 40 FEAB C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCN(c2cnccn2)[C@H](C)C1 1655145523 YVOLBGCIKWCZOY-KGLIPLIRSA-N 350.426 2.135 0 40 FEAB Cn1nccc1NC(=O)Cn1ccc(-c2cnn(-c3ccc(F)cc3)c2)n1 48139992 DNRJHHSLUGYBEA-UHFFFAOYSA-N 365.372 2.247 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 643994406 FPKCIVOTUIIZGB-NRFANRHFSA-N 352.434 2.125 0 40 FEAB C[C@H](CC(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C1CCNCC1 648162892 YFRYFFMWKSPFDA-GFCCVEGCSA-N 356.463 2.335 0 40 FEAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1cn(C2CCC2)nn1 649246487 HEFGCGHPCGNWOD-CYBMUJFWSA-N 352.753 2.351 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1cn(C)c2ccccc12)c1ccccc1 96096529 BNPUKUXFUQMGLT-AUUYWEPGSA-N 365.433 2.205 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099054 GZOKSHFGHJLXHY-IEBWSBKVSA-N 353.422 2.024 0 40 FEAB CN(C)C/C=C/C(=O)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 585289973 OYUJEUOZQGVEHI-VDUMAWNISA-N 358.482 2.471 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)CCc2cc(O)no2)C1 585276892 PSCYPQWMGFTUBR-IBGZPJMESA-N 360.410 2.054 0 40 FEAB COc1ncccc1CN1Cc2cccn2C[C@@H](Oc2ncccn2)C1 585112213 NABNUFZBUWTCKM-KRWDZBQOSA-N 351.410 2.145 0 40 FEAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc(F)c1 44782769 AEKUYCHGGJPMLN-SFHVURJKSA-N 364.442 2.178 0 40 FEAB C[C@H](NC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1 585188702 JFVTTZVEIMSUKY-DZGCQCFKSA-N 373.478 2.222 0 40 FEAB CCc1nnc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)s1 881481 DWCTVVUVMRCQER-UHFFFAOYSA-N 352.441 2.245 0 40 FEAB O=C(c1ccc(OC2CSC2)cc1)N1CCn2c(nnc2C2CC2)C1 12158668 RIZVLZKYQRMLHO-UHFFFAOYSA-N 356.451 2.306 0 40 FEAB Cn1ncc2c1CCc1sc(NC(=O)COC[C@H]3CCCCO3)nc1-2 12327395 SLKBUWBVFYBRQD-LLVKDONJSA-N 362.455 2.166 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1 13580944 RIBWYFKSOMKSGF-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 15290065 CHSTZCALIPKJIN-UHFFFAOYSA-N 367.405 2.416 0 40 FEAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2C1 19018916 UICBFSVFFCKNBW-KRWDZBQOSA-N 372.469 2.331 0 40 FEAB CC1CCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19496707 ZQRZZVYWADRKND-KRWDZBQOSA-N 372.513 2.018 0 40 FEAB CS(=O)(=O)CC(=O)C1CCN(C(=O)c2csc3c2CCCC3)CC1 19572158 LGPMSSDGWWTRNQ-UHFFFAOYSA-N 369.508 2.093 0 40 FEAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3480322 QSDGAGFYGUNKOS-UHFFFAOYSA-N 368.418 2.459 0 40 FEAB CC(C)(C(=O)O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 647741613 WUZXLIXRGCUNJZ-LLVKDONJSA-N 372.343 2.033 0 40 FEAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2ccccn2)cc1 12231131 CKPCNCPUYZKRNL-UHFFFAOYSA-N 361.405 2.170 0 40 FEAB Cc1ccc(OCc2nc(C)c(C(=O)NCCOCCO)s2)cc1 20428573 KIHBGHUJFKBPKP-UHFFFAOYSA-N 350.440 2.078 0 40 FEAB CCc1nnc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)s1 681828398 ZWDCPSPARCRHHQ-HNNXBMFYSA-N 351.501 2.103 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 575609216 ZBDVIUVAQDZYQE-INTQDDNPSA-N 364.250 2.159 0 40 FEAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCOCC2)cc1 3488245 XDTWKRCQWRTWIO-UHFFFAOYSA-N 367.401 2.242 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccc(O)nc2)C3)nc1 1888847466 HMOLCOCNPAUAGA-HNAYVOBHSA-N 354.410 2.207 0 40 FEAB Cn1cc(C(=O)N2C[C@@H]3CN(c4nccs4)C[C@H]3C2)c(C(F)F)n1 1888859240 CJRRMWSLOHEFLT-NXEZZACHSA-N 353.398 2.023 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2ccnc(O)c2)C3)nc1 1888866474 OTYGSRQUJYJRNG-KXBFYZLASA-N 354.410 2.207 0 40 FEAB FC(F)(F)c1nnc2ccc(NC[C@H]3COc4ccccc4O3)nn12 14713047 IFBJKCOZZAYUJJ-VIFPVBQESA-N 351.288 2.395 0 40 FEAB O=C(Nc1nc2c(s1)COC[C@]21CCN(C(=O)CCF)C1)C1CCC1 1614940958 UTGRMZQPSCNOJD-QGZVFWFLSA-N 367.446 2.242 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NCc1cccnc1)C(=O)O 4139487 BLPOBFKKUKQFCP-CQSZACIVSA-N 363.801 2.315 0 40 FEAB Cc1nc(SC/C=C/c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138735 OMWUGTPOGIUPRP-JXMROGBWSA-N 354.435 2.141 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)cc1 4101500 AYDJCJLWNASLKU-UHFFFAOYSA-N 365.437 2.293 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc2c(c1)OCO2 10255886 SSSNPQRGHIQWEU-GQSKFBFOSA-N 350.374 2.132 0 40 FEAB Cc1cccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1C 13700298 ZDYJCVCVMGCXBR-UHFFFAOYSA-N 351.414 2.095 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3C[C@@H](c4ccnc(N(C)C)n4)O[C@@H]3C2)cn1 2055754616 JJQHKNGGCDQBCF-JCGIZDLHSA-N 367.453 2.238 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCCN(c2ccc3nncn3n2)CC1 599430333 DKECUMLJCBKCTI-UHFFFAOYSA-N 356.817 2.130 0 40 FEAB CCOc1cccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c1OC 102239339 XZCMJRSOOXYZGH-DGIOSINNSA-N 361.463 2.068 0 40 FEAB Cn1cnnc1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 32833658 RZBJUCHWHXHTMW-UHFFFAOYSA-N 372.406 2.054 0 40 FEAB O=C(NCc1cccs1)c1cc(Br)ccc1-n1cnnn1 12389361 SPHFQIUZJCWXFG-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB Cc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1O 3514356 JXOJTPXKFHZTCA-GFCCVEGCSA-N 357.362 2.291 0 40 FEAB CCOC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 4186301 ORWYPJBPIOYHHB-ZBFHGGJFSA-N 364.442 2.395 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 59301842 OBXGMNIHXBEMGY-UHFFFAOYSA-N 374.340 2.440 0 40 FEAB CCN(CC(=O)Nc1nc(CN2CCOCC2)cs1)c1ccccc1 54653627 CIPJJOMIBSYYRX-UHFFFAOYSA-N 360.483 2.440 0 40 FEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nnc(C)n1C 47541100 PVUFQTNJGMVFPQ-UHFFFAOYSA-N 355.364 2.392 0 40 FEAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1F 61718992 CXZJTVSQPWGVIJ-AWEZNQCLSA-N 371.416 2.080 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 24308770 JDIIUAHCSLGEOQ-UHFFFAOYSA-N 368.437 2.144 0 40 FEAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 57290282 UWSICASBBKNSDU-GFCCVEGCSA-N 369.215 2.170 0 40 FEAB Cn1cncc1CN1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108530132 ZJWUKJZCBIMENG-UHFFFAOYSA-N 360.502 2.051 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 12620761 BDJOJOIDQNCOQL-IBGZPJMESA-N 366.442 2.441 0 40 FEAB O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(Cc1ccco1)CN2 20567426 KYPSNGNYPRJWCS-UHFFFAOYSA-N 355.423 2.327 0 40 FEAB O=C(C[C@@H]1CCCO1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58325187 VNTDSWKGNSFNEJ-INIZCTEOSA-N 352.394 2.052 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1nncn1C1CC1 10649458 VQCIHMZDTUHGGX-UHFFFAOYSA-N 373.482 2.419 0 40 FEAB Fc1cccc(-c2nnc3sc(-c4ccc5nnnn5c4)nn23)c1F 36358166 ACRMVAVYNFBARX-UHFFFAOYSA-N 356.321 2.236 0 40 FEAB O=C1CCC2(CCN(C(=O)c3ccno3)CC2)CN1Cc1ccncc1 108529651 COTKULJRQZPAHV-UHFFFAOYSA-N 354.410 2.115 0 40 FEAB COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC 11089830 IWIAXTUIMVFUTO-UHFFFAOYSA-N 372.421 2.019 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc(-n3cccn3)cc2)cc1 12812188 FDSNEVUSSQFOCZ-UHFFFAOYSA-N 365.389 2.354 0 40 FEAB COc1ccccc1C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 2415292 XPTFWMKYQRKLQZ-AWEZNQCLSA-N 363.377 2.471 0 40 FEAB Cc1ccnc2nc(C(=O)O[C@@H](C)c3nnc(-c4ccccc4)o3)nn12 12885892 DDELJEHUOMWCHD-NSHDSACASA-N 350.338 2.401 0 40 FEAB O=C1CCCN1C(=O)CSc1nnc(NCCc2cccs2)s1 12866555 DGQYKDNQTMKGKL-UHFFFAOYSA-N 368.509 2.495 0 40 FEAB CC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251739 ZVOXJIMNAULYOT-NSHDSACASA-N 358.460 2.018 0 40 FEAB Cc1ccc2nc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)sc2c1 2645967 QFDACHCRFIVYPW-UHFFFAOYSA-N 366.402 2.247 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c1C 37181270 KQAQKUFDCXXAND-AWEZNQCLSA-N 355.442 2.018 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 3497911 CESYVYRVHJVCSL-KRWDZBQOSA-N 357.362 2.407 0 40 FEAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 3408566 LPKYJLVADSLLON-JTQLQIEISA-N 371.349 2.090 0 40 FEAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)NC1=S 3662901 VUVBGGGSZWSCAD-XFFZJAGNSA-N 354.815 2.271 0 40 FEAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccnc2)CC1 20970571 VOSPGIJZXBBPFE-UHFFFAOYSA-N 368.437 2.262 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csnn1)n2CCC(C)C 48875862 SHISVMPVQOWHGA-UHFFFAOYSA-N 362.459 2.251 0 40 FEAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ccccc2Cl)CC1 13135733 QZSPCUHRAOVRIO-OAGGEKHMSA-N 365.905 2.486 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 9049449 JAFCUGKGYJJBSS-UHFFFAOYSA-N 371.359 2.432 0 40 FEAB COC(=O)c1cccc(NC(=O)CN(Cc2nnc(C)o2)C(C)(C)C)c1 84291467 YISKCXOWRZLXIW-UHFFFAOYSA-N 360.414 2.404 0 40 FEAB Cc1cc2oc(C(=O)N3CCOC34CCN(C)CC4)cc(=O)c2cc1C 13692153 OYJFVTXTSXVVAN-UHFFFAOYSA-N 356.422 2.304 0 40 FEAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 6084916 YGHYCSAFYZTOGO-UHFFFAOYSA-N 358.329 2.109 0 40 FEAB C[C@@H]1CCN(C(=O)COC(=O)c2nccnc2N)c2ccccc2S1 5040428 ZRDMFPOGGVYPMF-LLVKDONJSA-N 358.423 2.133 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14137912 LSMPBHMMMISVDM-ZDUSSCGKSA-N 350.465 2.378 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(OCC(F)(F)F)nc1 14220656 MAFDZPYOICFMLB-UHFFFAOYSA-N 364.283 2.117 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CSCc2c(C)noc2C)CC1 21970353 YICLRKLEWIOCTJ-UHFFFAOYSA-N 355.460 2.262 0 40 FEAB Cc1cccc(OC[C@H](O)CN(C(=O)NCCCn2ccnc2)C(C)C)c1 72305571 IERKNMVTWSZJPE-GOSISDBHSA-N 374.485 2.442 0 40 FEAB COc1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)N2CCCC2)CC1 4739939 SOVCPURCZDXMRB-QGZVFWFLSA-N 373.497 2.383 0 40 FEAB COc1ccc(CCNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 14731886 XECCTZWHFUSXPS-UHFFFAOYSA-N 353.422 2.098 0 40 FEAB COc1ccc(-c2nc(C(=O)NCC(=O)NC(C)C)cs2)cc1OC 7116369 ZGPXONVIHYPPNL-UHFFFAOYSA-N 363.439 2.082 0 40 FEAB O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7124110 FRDKYSFHUHBWCG-UHFFFAOYSA-N 354.815 2.304 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242640 RESMJGXNVRLQSL-CYBMUJFWSA-N 370.421 2.154 0 40 FEAB CC(=O)N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccccc21 8346305 FEYYTJHJYWQKEU-SFHVURJKSA-N 354.362 2.210 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1cccs1 8707180 RVNVKIPILWVLOC-BUXKBTBVSA-N 369.446 2.319 0 40 FEAB CCC(CC)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8767813 LXRITDGXTKDBRS-UHFFFAOYSA-N 363.483 2.152 0 40 FEAB Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cccnc1 72191496 WZVMRDDWVYHAJA-UHFFFAOYSA-N 369.406 2.306 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CN2C(=O)[C@H]3CCC[C@@H]32)CC1 75148706 GTIPSEZLQNBSLM-IRXDYDNUSA-N 370.449 2.321 0 40 FEAB O=C1NC(=O)/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)N1 408544862 YAVJEILUWSKVBI-NTUHNPAUSA-N 351.318 2.161 0 40 FEAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 517315304 PNNSBCIHVJPLCU-SNVBAGLBSA-N 370.379 2.274 0 40 FEAB CCCCS(=O)(=O)N1C[C@@H]2Cc3cnc(Nc4cccnc4)nc3[C@H]2C1 306123639 ASSOPGBLTSTQKJ-HOCLYGCPSA-N 373.482 2.317 0 40 FEAB CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnn2cccnc12 72324347 UVIGXWWJLDPGBB-AWEZNQCLSA-N 365.393 2.092 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2cncnc2)nc1 67872507 WRBVKGTYNNAKDL-MRXNPFEDSA-N 362.389 2.451 0 40 FEAB CO[C@@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4 13374245 NOAOQFJXKUUYHO-SQFXPLBJSA-N 372.373 2.332 0 40 FEAB biogenic Cc1nc(NC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)[nH]c(=O)c1C 72341826 RWWVMDSTPMQKHG-UHFFFAOYSA-N 369.469 2.169 0 40 FEAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)Cc1ccc(Cl)cc1 71980243 TXKCTBCABIJJOW-OAHLLOKOSA-N 366.845 2.007 0 40 FEAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccsc1C(=O)O 565106017 WTUVJZVXARDAJF-SNVBAGLBSA-N 354.453 2.287 0 40 FEAB Cc1nc(-c2ccccc2)sc1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 42383866 MYIFDSOPWNBFLI-ZDUSSCGKSA-N 364.492 2.212 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)nc(C)n3C)c2ccccc2O1 225892928 SFQJSUMVCBVEDZ-GOSISDBHSA-N 365.389 2.463 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 225543460 KTZGJNVSOLGRHN-NSHDSACASA-N 366.468 2.211 0 40 FEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225116214 ARGYIWYKOFWCJO-UHFFFAOYSA-N 353.371 2.446 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(Cl)cc1 224202853 HPBRQHRDOMNVDO-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220077284 RDDUKARTWJUXST-UHFFFAOYSA-N 368.405 2.389 0 40 FEAB O=C(Cc1ccco1)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 96111172 SDFWPPKXDFAXEA-QUCCMNQESA-N 356.422 2.442 0 40 FEAB COc1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NCC3CC3)C2)cc1 96208339 XTHURLVLFTVYNX-MISYRCLQSA-N 358.482 2.448 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2C(=O)N([C@H](C)c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 141621836 JDRAQFXCNZIIPO-ZHYXJZIWSA-N 357.406 2.101 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 257279080 OEYLDZHETYEWEH-MRXNPFEDSA-N 350.422 2.369 0 40 FEAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N(C)c1ccccc1 24760544 JUMMNROYRXVDLM-CABCVRRESA-N 370.405 2.223 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2NC(=O)C[C@]23CCCC[C@H]3C)cc1 1629316029 UTHYJBFWGNIHAF-VLIAUNLRSA-N 355.438 2.315 0 40 FEAB O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)C1CCN(c2cnccn2)CC1 613667756 GCYFONWHKQDCMA-UHFFFAOYSA-N 364.409 2.427 0 40 FEAB CO[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 617803981 SQLUUIYNSRVCDG-QGZVFWFLSA-N 353.369 2.124 0 40 FEAB COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(=O)O)cc1F 630191649 SNQDRMCEZXJDDC-ZENOOKHLSA-N 351.374 2.139 0 40 FEAB C[C@H](N)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1 659525429 GKRAKEFUVKSXMO-SUMWQHHRSA-N 352.438 2.093 0 40 FEAB CN1c2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2N(C)S1(=O)=O 390827397 XLLAXOOCGISZTC-UHFFFAOYSA-N 374.378 2.318 0 40 FEAB Cc1ncc(C(=O)N2CC(F)(F)C[C@]3(CCN(CC(C)C)C3=O)C2)[nH]1 585093454 XMGBNFDSPOPCCM-MRXNPFEDSA-N 354.401 2.074 0 40 FEAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)CCc1cnn(C)c1 56493375 LCXNBZJAISAUGF-GOSISDBHSA-N 369.513 2.070 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)N[C@H]1CCCc2ccccc21 5538917 QOTQPRQTGKWQSV-KRWDZBQOSA-N 358.438 2.126 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)c1 11693742 DDDGTEGMVLYSPJ-UHFFFAOYSA-N 368.437 2.008 0 40 FEAB COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146619 LVPRKNPLESZSHW-UHFFFAOYSA-N 354.366 2.041 0 40 FEAB CCN(CC)CCNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12221235 DMZYVPRTDNBHAZ-UHFFFAOYSA-N 357.502 2.248 0 40 FEAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4ccccc4C)C3)c2n1 12337303 SOAARYUIGKIYMH-CQSZACIVSA-N 366.425 2.096 0 40 FEAB COc1ccc(C(=O)N2CC=C[C@H]2C(=O)NCCc2ccccc2)cc1 13566181 XKRIMCUVCGYFHX-IBGZPJMESA-N 350.418 2.435 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCC2)c(C)n1S(=O)(=O)c1ccccc1 13585985 IVBRUVWSQJAOBO-UHFFFAOYSA-N 368.480 2.126 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 16020397 RVQBBAGREXBPOQ-IFXJQAMLSA-N 351.450 2.407 0 40 FEAB CC(C)N1CCC(CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 19447814 VCGMUKWIQFFZOV-UHFFFAOYSA-N 365.861 2.485 0 40 FEAB CN(C)c1ncc(-c2cncnc2)c([C@@H]2CN(CC(C)(C)C)CCO2)n1 19694972 RMRCQYFUHYQQQP-INIZCTEOSA-N 356.474 2.419 0 40 FEAB COc1ccc(NC(=S)NCCCN2CCN(C)CC2)cc1Cl 19831672 WBOSMISFPCGQMQ-UHFFFAOYSA-N 356.923 2.273 0 40 FEAB CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 4498194 CKDRIMCQYYURDN-UHFFFAOYSA-N 353.850 2.280 0 40 FEAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)CCn3ccnc3)CC1)OCC2 12087314 LMDWCRQNAMARSY-UHFFFAOYSA-N 369.469 2.277 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 17320523 KYKXVGPEWKDQPY-KRWDZBQOSA-N 366.417 2.389 0 40 FEAB CC(C)c1ncnc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1F 1889116538 CMKDRPXXWMYEGY-GJZGRUSLSA-N 368.412 2.361 0 40 FEAB C[C@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1cc(F)cc(F)c1 2086992598 MWBCYSJXTQIJKQ-LBPRGKRZSA-N 358.396 2.352 0 40 FEAB COc1ccccc1CCNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374119 QYKZKQPVUFCYOL-INIZCTEOSA-N 371.412 2.482 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)(C)C)cnc32)c(C)c1 4479307 XIEPEAZOGSFKML-UHFFFAOYSA-N 353.426 2.114 0 40 FEAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccn(C)n1)n2CC 12444442 NUQXEIKPOHBEEP-ISLYRVAYSA-N 358.423 2.374 0 40 FEAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)/C=C/c2cccs2)C1 2055771614 MQFFUAKBMNMJQO-IPLHWJFFSA-N 358.467 2.064 0 40 FEAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1C 2055772832 KZTNPDSHIXKJHG-UHFFFAOYSA-N 366.465 2.364 0 40 FEAB CN1CCN(C(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)CC1 20643491 PYFJUKZJGULYAE-UHFFFAOYSA-N 374.510 2.393 0 40 FEAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc(Cn2ccnc2)cc1 211128475 YKIMJNLHGGLVSF-UHFFFAOYSA-N 367.434 2.316 0 40 FEAB Cc1sc2ncn(CC(=O)NC[C@H](c3ccco3)N(C)C)c(=O)c2c1C 40159639 XEKUQDRCJDCESM-CYBMUJFWSA-N 374.466 2.087 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)N1CCCCC1 20794995 XDYLSPLAQFIRQA-HXUWFJFHSA-N 355.438 2.173 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@@H](C)O1 21056228 PGMQMFMKOAWWLW-OKILXGFUSA-N 358.438 2.411 0 40 FEAB COC(=O)c1sc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc1C 52842143 XMVAQDPIBNNTOO-UHFFFAOYSA-N 367.471 2.461 0 40 FEAB Cc1c([C@H](C)NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cnn1C 47006213 ZLJDDCHYOMZALJ-CWRNSKLLSA-N 350.463 2.159 0 40 FEAB O=C(CN1CCN(CCCOc2ccc(F)cc2)CC1)N1CCCCC1 53430482 ZSCHNHDTMLCIBN-UHFFFAOYSA-N 363.477 2.225 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 42043174 UITSRKBLXIKOCX-DOTOQJQBSA-N 350.484 2.037 0 40 FEAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C)c1 22549120 IKWLBOYHBCRZQB-LBPRGKRZSA-N 365.397 2.026 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 3436474 FFLBWCYMIYPVQM-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB COc1ccc(CN(C)C(=O)CSc2nc(C)cc(N)n2)cc1F 23290607 AQZAYFJHQSUFBU-UHFFFAOYSA-N 350.419 2.266 0 40 FEAB COc1cccc(/C=C/C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 7506771 GSHJUSGHLWALDP-ZHACJKMWSA-N 360.410 2.410 0 40 FEAB CCN(CC)C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010140 KRMJSCFYTZKXFG-UHFFFAOYSA-N 356.513 2.432 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCC1 8341357 KJPFGWNIZXGIOS-OAHLLOKOSA-N 356.513 2.017 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1c[nH]c2ccccc12 8401570 IDEHVLGFEWYEIZ-UHFFFAOYSA-N 370.386 2.169 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1COCCO1 25019383 NYOFFOVFKGLKCI-KRWDZBQOSA-N 370.361 2.022 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)C1 57731337 IFZXSPTWBOKJQQ-RYUDHWBXSA-N 373.844 2.202 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1 2664531 OKNXUHKNLBVFOF-GOSISDBHSA-N 372.812 2.449 0 40 FEAB O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1 95436045 TTWDJMSNJAYDIS-ZBFHGGJFSA-N 355.843 2.103 0 40 FEAB COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1 29967812 IFKORHIFGXNBPS-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB COC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 48341179 CUBRIGATCXINBS-UHFFFAOYSA-N 372.512 2.174 0 40 FEAB COC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)sc(C)c1C 3519108 UNKSQPRFBOVOBX-UHFFFAOYSA-N 363.395 2.045 0 40 FEAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCCc2ccccc2)c2ccccc21 4046516 MWSJJLKAEKRAGV-PXNSSMCTSA-N 364.401 2.206 0 40 FEAB biogenic O=C(COc1nncc2ccccc12)Nc1ccc(N2CCOCC2)cc1 49873751 HDNFXDRXECIHKP-UHFFFAOYSA-N 364.405 2.484 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1nc(-c2nc(-c3ccncc3)no2)cs1 65230636 BJGIEOGPYHURKY-NSHDSACASA-N 357.395 2.164 0 40 FEAB COc1ccc2cc(CNC(=O)Cn3nnc4ccccc4c3=O)ccc2c1 14084094 MPDRTZMTAXPXKR-UHFFFAOYSA-N 374.400 2.270 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 14121858 VCTFWGPKKDTIII-SGTLLEGYSA-N 361.467 2.134 0 40 FEAB COc1cccc(CNC(=O)COC(=O)Cc2ccc(F)cc2)c1OC 72331077 LDOMWLVKMPRSBL-UHFFFAOYSA-N 361.369 2.245 0 40 FEAB CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1NCc1ccco1 4777293 WUHIPTRHYHOMAW-UHFFFAOYSA-N 362.411 2.357 0 40 FEAB Cc1nnc2n(c1=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)CS2 4735836 PHQNLYPZNQKTCR-CQSZACIVSA-N 373.459 2.221 0 40 FEAB O=C(NCCCc1nnc2ccccn12)c1c[nH]c2ccc(F)cc2c1=O 95474312 LLSVVKNDSWHXKU-UHFFFAOYSA-N 365.368 2.073 0 40 FEAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 7307789 AHHXNWKMSFPSBO-UHFFFAOYSA-N 363.391 2.055 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O 7472081 UNWOMAHSZCANNW-SVXLOUQOSA-N 359.470 2.040 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 7736068 DQSPXZVLRMXPFU-INIZCTEOSA-N 356.353 2.004 0 40 FEAB Cc1ccccc1CNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 8053139 JCVPCZMFRISQPR-UHFFFAOYSA-N 365.433 2.168 0 40 FEAB O=C(c1cc(F)ccc1Br)N1CCN(c2ncccn2)CC1 8134723 WQYQZLJRGDQCQE-UHFFFAOYSA-N 365.206 2.341 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)OCc1ccc(-n2cccn2)cc1 24420859 NZEDXUNGESTDDS-UHFFFAOYSA-N 366.402 2.387 0 40 FEAB Cn1cc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cn1 306136760 QCQUZRFUENXIRT-LPHOPBHVSA-N 369.446 2.435 0 40 FEAB CSCc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)o1 9954856 JMGBDPQJLXQNMT-UHFFFAOYSA-N 350.425 2.010 0 40 FEAB CCc1nc(COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cs1 23215754 GYZYOAMXUWPWRD-UHFFFAOYSA-N 364.423 2.196 0 40 FEAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1C 67263073 PCRWOFMWCXZBHK-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB CCOc1c(Br)cc(/C=C/C(=O)NCCC(=O)O)cc1OC 62714726 NULKMTOSOMLWDV-SNAWJCMRSA-N 372.215 2.461 0 40 FEAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123405365 SENSDRYGCFGXOG-JAJDZKJHSA-N 352.515 2.473 0 40 FEAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409408016 BMOMMRJQBOPKRI-OAHLLOKOSA-N 356.488 2.001 0 40 FEAB Cc1ccc(NC(=O)N2CC[C@@]3(CCCN(C)C3)C2)cc1N1CCNC1=O 521974803 KUBWDMJOFXVACX-HXUWFJFHSA-N 371.485 2.474 0 40 FEAB CCOC(=O)c1ccc(N2CCOCC2)c(I)c1 39951854 HAEHRAFXUFJNFS-UHFFFAOYSA-N 361.179 2.305 0 40 FEAB CC(C)C(NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)C(C)C 38849210 OSIXRRZRILXBQI-INIZCTEOSA-N 368.499 2.401 0 40 FEAB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc3n12 64871500 PFRBXPRZDKXTEB-UHFFFAOYSA-N 365.368 2.384 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218172588 OQHKJWXXPITCAS-BBWFWOEESA-N 360.387 2.364 0 40 FEAB O=C1COc2cc(C(=O)N3CCN(Cc4ccsc4)CC3)ccc2N1 30542017 NSUHJGDREWVTCA-UHFFFAOYSA-N 357.435 2.037 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2ccc3nncn3n2)cc1 49546851 KNDVFOCEJRGRKY-UHFFFAOYSA-N 357.395 2.032 0 40 FEAB COc1ccnc(N2CCN(Cc3c(Cl)cccc3C(=O)O)CC2)n1 565101331 GKLZUUVUDXAXBG-UHFFFAOYSA-N 362.817 2.159 0 40 FEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 199402677 VALNAIYDWNVCOB-CQSZACIVSA-N 350.459 2.067 0 40 FEAB Cc1cccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 224200041 MEEDOKPHOOTTCL-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB CCNC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 85435928 DZEFVDKLTSIVDA-XYJFISCASA-N 359.426 2.112 0 40 FEAB biogenic,in-vitro O=C(Nc1nc2ccccc2[nH]1)c1nc(N2CCOCC2)ncc1Cl 42127421 WZVZEAVZFGTPCE-UHFFFAOYSA-N 358.789 2.095 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3ccccn3)CC2)CN1c1ncccn1 96240391 ZVXVILNYTARZQK-SFHVURJKSA-N 353.470 2.379 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2CC[S@@](=O)C[C@@H](C)C2)s[nH]1 583485661 CAUDRUCZLXVNOT-YGWIHHTISA-N 370.525 2.229 0 40 FEAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1cccs1 96059772 UTHFMUIBORZZKL-OAHLLOKOSA-N 361.467 2.415 0 40 FEAB O=C(CCc1ccccc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240916 VRFPWHZPIBDWPR-IBGZPJMESA-N 370.493 2.497 0 40 FEAB COc1cc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc(C)n1 583618845 RHWQOBFNVSLRQZ-STQMWFEESA-N 359.348 2.070 0 40 FEAB Cc1cccc(CN2CC[C@@]3(c4ccccc4)CN(CCO)C[C@@H]3C2)n1 96251792 FMBJSWHIPNBKLB-UNMCSNQZSA-N 351.494 2.458 0 40 FEAB Cc1cc(CN2Cc3cccn3[C@@H](CCOCC(=O)N3CCCC3)C2)no1 247901603 IVWRSOBYINLVQC-IBGZPJMESA-N 372.469 2.371 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1SCCC(N)=O 597753627 SGEGGNHOQXVAQY-NSHDSACASA-N 361.423 2.004 0 40 FEAB CN(C)c1nccc2c1CN(S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)CC2 1672205746 SCLXDIKEMISEFN-ZDUSSCGKSA-N 359.442 2.127 0 40 FEAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585289766 NKZIQDWWQNOBMX-HRUPSNNBSA-N 355.438 2.137 0 40 FEAB O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1cccc(F)c1 585097080 HESHUTZCNRDBSB-MRXNPFEDSA-N 356.401 2.059 0 40 FEAB O=C(CCc1cc(Cl)no1)N1CC[C@](O)(COc2ccccc2)C1 585276376 NNWZQWORUZIFCC-QGZVFWFLSA-N 350.802 2.303 0 40 FEAB CCSCc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 56531810 JDFZGGJFXBBRCS-HNNXBMFYSA-N 370.540 2.341 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccccc2CO)c1 5692046 OCRHRDWUEJSPKP-UHFFFAOYSA-N 365.480 2.238 0 40 FEAB O=C(CSc1nnnn1-c1cccc(F)c1)NCCc1ccccc1 5795665 KKQPYEJHBIQCLS-UHFFFAOYSA-N 357.414 2.252 0 40 FEAB Cc1ccn(CCNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1 12198988 FPPZDPAGZKMNEW-UHFFFAOYSA-N 355.364 2.102 0 40 FEAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cncc(N)c3)nn2c(O)c1C 12337001 RIYNVLYRZPXIIW-HNNXBMFYSA-N 352.398 2.006 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1OC 14032582 MLPIFSZXYUCGGC-CQSZACIVSA-N 359.451 2.168 0 40 FEAB CCCCn1c(SCC(=O)OCC)nc2ccc(S(N)(=O)=O)cc21 16678150 OZZUQAXNRKEEIY-UHFFFAOYSA-N 371.484 2.139 0 40 FEAB CC(C)(C)c1cc(C(=O)NCc2cc(O)nc(-c3cccnc3)n2)[nH]n1 19083728 HVJHURQPVCFRNG-UHFFFAOYSA-N 352.398 2.195 0 40 FEAB O=C(c1cscn1)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19405991 GIZNYJHIRWSMTL-OCCSQVGLSA-N 352.423 2.056 0 40 FEAB COc1ccccc1CN1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 19570058 MRUAQGRRJRBSFD-HNNXBMFYSA-N 354.454 2.368 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@H](c2ccncc2)c2cccs2)c(=O)n1 19572383 XVEVEMRXRIUBER-QGZVFWFLSA-N 354.435 2.222 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(CCOC)c2C)C1=O 205785849 SHCGZVNDPFBCLM-NTEUORMPSA-N 366.439 2.351 0 40 FEAB O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 5557969 USWFGYAHKJUGGS-UHFFFAOYSA-N 358.463 2.444 0 40 FEAB NCCCOCCOCCOCCCNC(=O)O[C@@H]1CCC=CCCC1 606235282 ZWCIHUBGBBHCSO-GOSISDBHSA-N 372.506 2.390 0 40 FEAB CCc1n[nH]c(C(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1C 19520961 JTNMNSYYRACZMP-QGZVFWFLSA-N 368.485 2.426 0 40 FEAB COc1ccc(OCCC(=O)OCC(=O)NCCc2ccccc2)cc1 3278797 IQCCJTBEWLSJPE-UHFFFAOYSA-N 357.406 2.366 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1 3365779 QGCLFUSOALRPPU-UHFFFAOYSA-N 373.453 2.346 0 40 FEAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 15498694 WEYMWSXJUDTCTF-INIZCTEOSA-N 351.406 2.081 0 40 FEAB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 21870007 LQHXOQCTDUYPBU-NUPWCOBBSA-N 352.500 2.465 0 40 FEAB Cc1ccc(NC(=O)CNCCN2CCN(Cc3ccccc3)CC2)cc1 58167681 FBSSDYUTGRNPON-UHFFFAOYSA-N 366.509 2.341 0 40 FEAB Cc1nc2c(c(N3CCN(c4nccc(-c5cccnc5)n4)CC3)n1)CCC2 2086992629 DJICSPXMBOJJHM-UHFFFAOYSA-N 373.464 2.452 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 1565555435 HZRJZAJQQSGPQH-UHFFFAOYSA-N 364.511 2.247 0 40 FEAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1=O 1565543119 YDNKLGZNGRSGIS-OVKVCFKUSA-N 361.511 2.164 0 40 FEAB CCN1CCc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O 2716304 TYKMDLGGMQDECU-UHFFFAOYSA-N 368.389 2.451 0 40 FEAB COc1cccc(CNC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 5399537 VQIOHYDDBYYKRI-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 7419068 WDUAPILQIYLQAL-UHFFFAOYSA-N 367.409 2.152 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 10064645 YXYLIRKGZXWRSK-ZDUSSCGKSA-N 365.480 2.491 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)n[nH]1 19083623 GFWUCCRYULIKDD-ZDUSSCGKSA-N 368.485 2.163 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3ncccc3O)n2)cc1OC 40013038 YFJRVVXSLRJCBP-UHFFFAOYSA-N 370.365 2.426 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCOCC2)cc1 40128364 UAGOAFDUSZHLDF-UHFFFAOYSA-N 366.483 2.209 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](O)c1cccc(Cl)c1 40154371 SAAGTPBYFUPUME-HNNXBMFYSA-N 359.875 2.237 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)Cc1n[nH]c(=O)c2ccccc12 40113841 PIDNZCJGQXPZIV-UHFFFAOYSA-N 351.406 2.278 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)NCCc1ccc(F)cc1 40120138 PSLVHAWVYREAAV-OALUTQOASA-N 364.461 2.144 0 40 FEAB O=C(CCc1ccccc1)NCc1ccc(C(=O)N2CCOCC2)cc1 21130639 OQMKMWXJHDUVGR-UHFFFAOYSA-N 352.434 2.408 0 40 FEAB Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 32863557 RRCSOQNAOPONHD-LJQANCHMSA-N 374.529 2.183 0 40 FEAB COc1ccccc1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 21624562 OUYFMJQJTOYYQC-NSHDSACASA-N 354.453 2.348 0 40 FEAB O=C(CCS(=O)(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1 32908797 UAUYAPCZMQEJOQ-UHFFFAOYSA-N 373.478 2.167 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1 851355 URJDAXAJTCWNLZ-NSHDSACASA-N 354.362 2.327 0 40 FEAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)NC[C@H]1CCOC1)C3 47067515 PXALWHJSKGNSGK-GFCCVEGCSA-N 357.410 2.059 0 40 FEAB COCCNC(=O)c1cn(-c2ccc3c(c2)OCO3)c(=O)c2ccccc12 79190440 XWQUZRLDSXMTFN-UHFFFAOYSA-N 366.373 2.096 0 40 FEAB biogenic Cc1nn(C)cc1-c1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 79490851 YLQPVWCPNBDQQE-UHFFFAOYSA-N 356.459 2.494 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)NCc2nncn2-c2ccccc2)c1 42496852 OFOYTORTBVGPFT-VWLOTQADSA-N 354.435 2.076 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nc2cccnc2n1C 4852980 WBWAGHUTOUHMPA-UHFFFAOYSA-N 356.407 2.486 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c(C)c1 7939713 OGYCXZUAVUBGKE-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB O=C(Nc1ccccc1O)c1cc(Br)ccc1-n1cnnn1 12408075 QYWSOLLIPMABHS-UHFFFAOYSA-N 360.171 2.383 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1073012 IKRJTIJUCQTEAE-UHFFFAOYSA-N 354.472 2.447 0 40 FEAB CN(C)CC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 42742496 RPWIYJSJXRRMEA-UHFFFAOYSA-N 365.477 2.051 0 40 FEAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccccc1 108879540 WPYGCRWMUMREJK-SDADXPQNSA-N 372.421 2.121 0 40 FEAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298423 YEDIUJVJBDYUGN-IMJJTQAJSA-N 374.514 2.426 0 40 FEAB biogenic,in-vitro COc1ccc(CS(=O)(=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1 1398120 KHMOXGCCOJPKKV-UHFFFAOYSA-N 369.464 2.084 0 40 FEAB C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 106894304 WCZPGCCJVXZUQB-GFCCVEGCSA-N 358.419 2.326 0 40 FEAB CN(C)c1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)ccn1 56329470 ZJNNLUZKUHFQNI-UHFFFAOYSA-N 367.453 2.489 0 40 FEAB C[C@@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 108845195 KHGBNZFTJCISQK-QPSCCSFWSA-N 372.421 2.079 0 40 FEAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35414296 QXWOBPBOTGKPFQ-QGZVFWFLSA-N 351.450 2.496 0 40 FEAB COc1ccc(CCNC(=O)CNc2ccc(Cl)c(C(N)=O)c2)cc1 26785208 CEBBKOPLKSVOEU-UHFFFAOYSA-N 361.829 2.218 0 40 FEAB CCCCn1nc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1=O 26943939 LPHWJJRWVOHFAM-UHFFFAOYSA-N 368.437 2.100 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@H](C)O[C@H](C)C3)nc(N)c2c1C 12650276 COILRALCAYJTDF-AOOOYVTPSA-N 364.471 2.368 0 40 FEAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NC1CC1)NC2=O 100181473 NDWGAJHSHGEKTJ-YINZYUKRSA-N 356.422 2.229 0 40 FEAB COC(=O)c1ccc(N2CCN(Cc3nc(C4CC4)no3)[C@@H](C)C2)cc1 58192423 DCKFUEYVEAXPEB-ZDUSSCGKSA-N 356.426 2.444 0 40 FEAB O=C(CCNC(=O)COc1ccc2ccccc2c1)NCc1cccnc1 58178460 RUUGVEGRUFDFNO-UHFFFAOYSA-N 363.417 2.436 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(O)c1 58244844 UNCZVKHNAIADMW-UHFFFAOYSA-N 358.394 2.162 0 40 FEAB CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58217718 VIYJCIKMLHZUEM-ZDUSSCGKSA-N 360.376 2.407 0 40 FEAB NC(=O)C1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 58217656 OLSGKNLQGOSYNJ-UHFFFAOYSA-N 367.405 2.369 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 12794311 LOSGWXJRPWNNCV-UHFFFAOYSA-N 372.490 2.436 0 40 FEAB O=C(COc1ccccc1F)NCc1cccc(CN2CCOCC2)c1 53318257 JQYYRCJYRDJYSE-UHFFFAOYSA-N 358.413 2.353 0 40 FEAB O=C(NC[C@@H]1CCOC1)C(=O)Nc1ccc(N2CCc3ccccc32)cc1 84582049 FQUMMAPLHASDBK-HNNXBMFYSA-N 365.433 2.472 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCSCC3)ccc21 57280353 OQQVGJSQBSDNCP-UHFFFAOYSA-N 354.497 2.068 0 40 FEAB O=C(NCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F 45085740 WNJPOMGNVSWJCB-UHFFFAOYSA-N 365.424 2.172 0 40 FEAB Cc1nc2ccccc2nc1SCC(=O)NC(=O)NCC(F)(F)F 28191492 MWXBGMAHISCLIB-UHFFFAOYSA-N 358.345 2.418 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc21 10748128 RYEICDLFCLGXRC-UHFFFAOYSA-N 352.394 2.420 0 40 FEAB CN(C)CCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 95365106 RJNJHKFLDLCHPM-UHFFFAOYSA-N 368.499 2.200 0 40 FEAB O=C(O)CCCNC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 12979926 XOLPTBGCLXSFIZ-UHFFFAOYSA-N 360.439 2.218 0 40 FEAB O=C(CN1CCN(C(=O)NCc2ccccc2)CC1)Nc1ccc(F)cc1 12922665 VCRZYNRDNICZLC-UHFFFAOYSA-N 370.428 2.292 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1cccc(F)c1 12932405 GRGNEEUPPOQLDW-UHFFFAOYSA-N 356.405 2.054 0 40 FEAB Cc1cccc(OCCCNC(=O)Cn2c(=O)cnc3ccccc32)c1 8942532 HQVZUPSPAGABKF-UHFFFAOYSA-N 351.406 2.290 0 40 FEAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1n[nH]c(=O)c2ccccc12 8988687 NTGFQLBXARXNAR-UHFFFAOYSA-N 362.389 2.202 0 40 FEAB O=c1c2c3c(sc2ncn1Cc1cc(=O)n2ccsc2n1)CCCC3 6087687 GAFDEDRPWSHSQG-UHFFFAOYSA-N 370.459 2.455 0 40 FEAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)[C@@H]1CCCO1 49951213 LRIUVFFTYSXVQD-UTEVDWOZSA-N 352.437 2.080 0 40 FEAB NC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 13945071 KOSGUYSVZUDYLJ-UHFFFAOYSA-N 355.419 2.395 0 40 FEAB CCOC(=O)CN(C[P@](=O)(O)C1Cc2ccccc2C1)C(=O)OCC 5478163 LFBQGIZFRWIKNH-UHFFFAOYSA-N 369.354 2.403 0 40 FEAB COCc1nc([C@H]2CCCCCN2C(=O)c2ccc(N(C)C)nc2)no1 96001269 WEDGTNCOXNTLNB-CQSZACIVSA-N 359.430 2.435 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6638188 KAFPNKJQHZPFCM-INIZCTEOSA-N 352.390 2.460 0 40 FEAB COc1ccc(/C=C/C(=O)NCCc2csc3ncnn23)cc1OC 6757746 ZBKUKTNCSWWYHO-GQCTYLIASA-N 358.423 2.180 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(CC)cc1)n2CCOC 9367175 DMEZIQQPNVDUFL-UHFFFAOYSA-N 356.426 2.172 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 9315106 AXGGICKPVDDLNS-NSHDSACASA-N 359.407 2.216 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O 15842884 HBEFEPVDVHDYBI-NSHDSACASA-N 362.382 2.391 0 40 FEAB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)n1C1CC1 7575481 UFQGMJGEVUNZMC-UHFFFAOYSA-N 361.423 2.396 0 40 FEAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 9341576 RHHHLSPBWXEBRM-QWHCGFSZSA-N 358.872 2.004 0 40 FEAB CN1CCN([C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)O)CC1 22466461 SXFUKACUQOCDII-GFCCVEGCSA-N 360.241 2.023 0 40 FEAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 22237533 KRLPXMVLXUBBPR-UHFFFAOYSA-N 374.447 2.413 0 40 FEAB CCOc1ccccc1-c1noc(CN(C)C2CCS(=O)(=O)CC2)n1 72308851 JCPCBBNSZAIMFO-UHFFFAOYSA-N 365.455 2.144 0 40 FEAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)NCCc2cccc(F)c2)C1=O 72325939 LHHQQCMSLCESDD-ZDUSSCGKSA-N 369.396 2.224 0 40 FEAB biogenic CC(C)(CCO)CNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 84325903 ZIJKMYQRDFKKMU-UHFFFAOYSA-N 350.503 2.234 0 40 FEAB CCN(CCC1CCN(C(=O)N[C@H](C)c2nncn2C)CC1)CC1CC1 95457477 LKUGOHPVWPTXCT-OAHLLOKOSA-N 362.522 2.420 0 40 FEAB Cc1csc(NC(=O)CN2CCOC[C@H]2CC(=O)c2ccccc2)n1 95975606 CXXLNCCPHIRAHB-OAHLLOKOSA-N 359.451 2.364 0 40 FEAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 56997275 WZMQBZCDHADOMS-UHFFFAOYSA-N 371.412 2.106 0 40 FEAB CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCCOCC2)CC1 183500080 AHYJPVJLUPEHLE-HXUWFJFHSA-N 374.529 2.192 0 40 FEAB COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 516462205 OQQUKDBADBQRKW-OAHLLOKOSA-N 359.470 2.486 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(COc2ccccc2)o1 61973996 MOWOJFPVONSHEO-UHFFFAOYSA-N 366.333 2.195 0 40 FEAB CC1(C)C[C@@H](NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)CCO1 72401289 JXZWIYKIDRIJQK-LBPRGKRZSA-N 352.818 2.139 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2F)ccc1OC 223876971 NVWFFUDRHDAJEP-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB Cc1cc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)no1 75163743 PDOAIIMJBVUARR-UHFFFAOYSA-N 354.248 2.110 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccccc3F)cc2)o1 44918703 OJNKCHVRPGTRJX-UHFFFAOYSA-N 354.341 2.439 0 40 FEAB Cc1c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)nnn1C 329945525 XGPHYALWINBQSI-FQEVSTJZSA-N 353.470 2.252 0 40 FEAB S=C(NCCCN1CCOCC1)Nc1ccc(Oc2ccccc2)nn1 225189260 TWQWENMJHNCWDG-UHFFFAOYSA-N 373.482 2.278 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(OC)c1 224798432 RBKZROBJXMAJMT-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB Cc1oc(C)c(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1C(=O)O 576940556 RRXAGBUHXZVERM-ZLKJLUDKSA-N 357.428 2.077 0 40 FEAB Fc1cnc(N[C@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048532 OBMSIIRJZUVDBG-AEFFLSMTSA-N 350.438 2.078 0 40 FEAB O=C(Nc1n[nH]c2cc(Br)ccc12)c1ccc2nnnn2c1 95480766 ZKBRKRMQDBEZID-UHFFFAOYSA-N 358.159 2.015 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247905233 WVDCJMBOAXTXEY-INIZCTEOSA-N 370.453 2.330 0 40 FEAB O=C(C[C@@H]1CN(Cc2ccco2)Cc2ccnn21)NCCc1ccncc1 247871888 REBNXCVOFUNXIW-GOSISDBHSA-N 365.437 2.177 0 40 FEAB COCC(=O)N1CCC(Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)CC1 257344322 ZWRUNFQNJJEVPE-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CC(C)Cc1ncc(NC(=O)NC(c2nccn2C)c2nccn2C)cn1 529094009 XGAQUVGYAKKWHB-UHFFFAOYSA-N 368.445 2.053 0 40 FEAB Cc1ncc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)c(C)n1 257258748 KVIRBEHJBYDSQF-IEBWSBKVSA-N 359.401 2.277 0 40 FEAB CNc1cc([C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)ccn1 257306776 SVVDJUYMLSIWAK-AWEZNQCLSA-N 352.394 2.395 0 40 FEAB C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262868419 XJSKLVULCLZENX-ABAIWWIYSA-N 369.439 2.322 0 40 FEAB Cc1ccn2c(NC(=O)c3nnn(C4CC4)c3C(F)(F)F)nnc2c1 674840082 IPBSBIVYNLPADE-UHFFFAOYSA-N 351.292 2.235 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)COc3cccnc3)C2)c1 585272609 ODHAJTWNBQUIEY-HXUWFJFHSA-N 356.422 2.201 0 40 FEAB CN(CCOc1ccc(C[C@H]2SC(=N)NC2=O)cc1)c1ccccn1 38339130 VQDBYZBZMGVIOT-OAHLLOKOSA-N 356.451 2.306 0 40 FEAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1 107583701 MFGQCBREAKOKDO-UHFFFAOYSA-N 365.437 2.184 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549162819 WIXUKMQPTDNDDI-UHFFFAOYSA-N 372.446 2.102 0 40 FEAB O=C(c1nccs1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615122519 PMAOCIRWIJHRBL-SFHVURJKSA-N 357.435 2.181 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)no1 1615119670 IRFVVLQTZNSSAI-LJQANCHMSA-N 373.384 2.160 0 40 FEAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1ccccn1 5799534 BFTMBQLLOYMAQH-GFCCVEGCSA-N 358.423 2.281 0 40 FEAB COc1cc(-n2cnnn2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 12418308 CFUOODYRZQBOAX-UHFFFAOYSA-N 350.787 2.157 0 40 FEAB O=C(c1cscn1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268094 KEVGJFZKPQBEPX-UHFFFAOYSA-N 368.422 2.116 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15358932 YDMAPYPBFRSDTM-LLVKDONJSA-N 357.428 2.269 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1cccc(F)c1 15365346 ZATSYGFRQMRZCS-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccc2c(c1)OCO2 15734113 CMSXFSACKSMIIF-UHFFFAOYSA-N 371.374 2.114 0 40 FEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCCCCC1 16249204 RAJJIJSCPFFMCB-UHFFFAOYSA-N 355.485 2.456 0 40 FEAB Cc1cccn2cc(C(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 19660436 PFLYJAWXCMIOGN-AWEZNQCLSA-N 352.369 2.317 0 40 FEAB CN(CCNC(=O)CN1C(=O)COc2c(Cl)cccc21)c1ccccc1 19717655 OZNPYDKEWFMYFT-UHFFFAOYSA-N 373.840 2.318 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1ccccc1 19930482 KAMLNVBQGDDAPV-UHFFFAOYSA-N 372.490 2.419 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 7217035 PYXMQFGEWOCGTR-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101209221 BUTMOYRGIUMCNU-XXJNHTBESA-N 368.408 2.079 0 40 FEAB O=C(O)[C@@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 580270905 NJBGFSHWMBAQIY-KRWDZBQOSA-N 371.418 2.019 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1=Cc2ccccc2OC1 9899354 LASNVOCJCQFTLA-UHFFFAOYSA-N 372.446 2.029 0 40 FEAB O=C(CNC(=O)c1ccco1)Nc1nc2cc3c(cc2s1)OCCO3 11752009 SLCGYSPDKTXSBN-UHFFFAOYSA-N 359.363 2.029 0 40 FEAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 5863829 PRLALTPIHRVCLG-LBPRGKRZSA-N 357.366 2.017 0 40 FEAB Cc1nc2ccc(OCC3CCN(C(=O)c4cnn(C)c4)CC3)nn2c1C 1888881729 VMYSRQHEYSXVQH-UHFFFAOYSA-N 368.441 2.011 0 40 FEAB O=C([C@@H]1CN(c2nc3ccc(Cl)cc3s2)CCO1)N1CCOCC1 1889139077 RVQBEXWUAKYBKY-ZDUSSCGKSA-N 367.858 2.014 0 40 FEAB CC(=O)N1CC2(CCN(Cc3csc(C)n3)CC2)C[C@H](O)C1(C)C 2037849906 INBIRCTURLZDLN-INIZCTEOSA-N 351.516 2.425 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 252536640 JAVCZLVQLNTZTD-CTYIDZIISA-N 363.439 2.154 0 40 FEAB CCOc1ccc(N2C[C@@H](NC(=O)NCc3ccccn3)CC2=O)cc1 4272641 PDKQYEWPEKLABV-HNNXBMFYSA-N 354.410 2.085 0 40 FEAB Cn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(Cl)cc(Cl)c21 100909079 RJWXSKBIKLNENH-VKAVYKQESA-N 372.233 2.123 0 40 FEAB NC(=O)c1cc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n[nH]1 225559675 MYHGDQASCQJAKR-UHFFFAOYSA-N 365.393 2.183 0 40 FEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617728 QRLWEMLUOASBKM-GOEBONIOSA-N 360.483 2.068 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](OCCO)c2ccsc2)c(C)c1 575621747 SKMXBEJOYIRJQS-OAHLLOKOSA-N 371.480 2.094 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19554307 YOVMEUCOZQZNKA-MRXNPFEDSA-N 366.465 2.080 0 40 FEAB CCOC(=O)c1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C 100628429 KSJWSURRFMYMDY-ZCXUNETKSA-N 364.423 2.330 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)cc1OC(F)F 40074464 WKHOVOIXGNRPAW-UHFFFAOYSA-N 352.337 2.268 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1Cl 30325136 JEEDCLMWNWGYDA-UHFFFAOYSA-N 367.858 2.255 0 40 FEAB c1ccc(-n2nnnc2CSCc2nnnn2-c2ccccc2)cc1 32772139 WOLZDCILMZBADN-UHFFFAOYSA-N 350.411 2.071 0 40 FEAB NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 32895324 YLSSZXNODLQQEK-UHFFFAOYSA-N 360.313 2.485 0 40 FEAB O=C(c1ncccc1C(F)(F)F)N1CCC(N2CCCNC2=O)CC1 92527619 HVXNIIMVSCGYIG-UHFFFAOYSA-N 356.348 2.120 0 40 FEAB COCCNC(=O)c1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1 12406082 MYTDHGDTFMYVKQ-UHFFFAOYSA-N 356.378 2.102 0 40 FEAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)NCCc1ccccc1 807702 UPYSOGYXBFMBEW-UHFFFAOYSA-N 368.462 2.091 0 40 FEAB O=C(COc1ccc2oc3ccccc3c2c1)NCCN1CCOCC1 23155544 SYNHSRSTBMOYNQ-UHFFFAOYSA-N 354.406 2.413 0 40 FEAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(N)(=O)=O 8707864 HWVKVOWEBCDXSJ-UHFFFAOYSA-N 371.418 2.386 0 40 FEAB O=C(COc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24001879 CURUGXFSTITFKS-UHFFFAOYSA-N 372.396 2.278 0 40 FEAB C[C@H](OCCCNC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 26151196 RPYYCKVOHKGHBI-KRWDZBQOSA-N 369.469 2.476 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57477543 ZRVVPXNXRYLMLC-UHFFFAOYSA-N 373.359 2.490 0 40 FEAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 57426632 UTNJVIXJXMFFAP-UHFFFAOYSA-N 363.483 2.330 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 100466727 BOLBRZWHNIBFRJ-NMERNMGHSA-N 373.412 2.226 0 40 FEAB Cc1noc(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)n1 58168812 REDJPJAAQPFVIT-UHFFFAOYSA-N 363.447 2.026 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 48273085 VGEDHZBDMSTFJR-HNNXBMFYSA-N 366.421 2.301 0 40 FEAB CC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 10297276 WHIZLBIXUAWWKT-LBPRGKRZSA-N 373.375 2.466 0 40 FEAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCCSC(F)(F)F 58264010 MUXCSIZZVQEHFE-UHFFFAOYSA-N 372.372 2.052 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1ccc(F)cc1 100113275 FBNRYCJPHOMJAM-QRTARXTBSA-N 354.447 2.398 0 40 FEAB CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC(=O)OC 58210074 CNRMBSZBYWCZRD-LLVKDONJSA-N 364.423 2.003 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)C1 53390421 JKOPFWZFSQPVCP-KBXCAEBGSA-N 364.511 2.414 0 40 FEAB COc1ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc(=O)oc2c1 2110901 VYJVBQKKHUNGKX-QVKFZJNVSA-N 371.433 2.498 0 40 FEAB biogenic O=C1CCc2cc(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)ccc2N1 12764499 LJDINQLLDJUQEV-UHFFFAOYSA-N 367.336 2.410 0 40 FEAB CNc1snc(C)c1C(=O)NCc1ccccc1CN1CCOCC1 28020491 UKUIVPFPSUGTJZ-UHFFFAOYSA-N 360.483 2.255 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 58420166 FGPNNYJECPXIPV-UHFFFAOYSA-N 364.357 2.484 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 36394692 OMCHNPJXLAXTRI-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2O)cc1C(=O)O 72312997 IXRYQZJHHLPCSR-UHFFFAOYSA-N 362.363 2.162 0 40 FEAB CCN(CC)[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C 45537825 BQJQPMMIZFOPET-KRWDZBQOSA-N 362.522 2.065 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)O)n2ncc(Br)c2n1 36615772 UCHBZZUFVQVPTN-UHFFFAOYSA-N 350.176 2.207 0 40 FEAB CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 10449156 YZDQTAVROTUKND-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB Cc1cccc(OCCNC(=O)Nc2cccc(-n3nnnc3C)c2)c1 45689243 OLBGASWAEHHSTR-UHFFFAOYSA-N 352.398 2.480 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1 20012943 VMTLPXPJCPZAAY-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(C[C@H]1Oc2ccccc2NC1=O)NC[C@H](c1ccco1)N1CCCC1 12974477 WCWCOAFGXMEQGC-CRAIPNDOSA-N 369.421 2.323 0 40 FEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCC1 13002951 WJVFGMRGBVJOOB-INIZCTEOSA-N 363.483 2.152 0 40 FEAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 13005295 MCSWJZPUYLPVAK-HUUCEWRRSA-N 353.382 2.281 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)N3CCc4ccccc43)c2c1 9047319 POAGGZKVCGFLBQ-UHFFFAOYSA-N 363.417 2.425 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 13208417 JNPHOWPHAGCTGA-AOOOYVTPSA-N 365.455 2.079 0 40 FEAB O=c1ccccn1Cc1ccc(CNC(=S)NC[C@@H]2CCCO2)cc1 63675267 YZOVUNUASDUBEG-KRWDZBQOSA-N 357.479 2.040 0 40 FEAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 13722772 ZFQYDPRUWMXZMJ-STQMWFEESA-N 358.872 2.004 0 40 FEAB O=C(CSc1nc(-c2ccccc2)cs1)N[C@H]1CCS(=O)(=O)C1 4393391 KEBSYJVODULVLO-LBPRGKRZSA-N 368.505 2.206 0 40 FEAB CN(CCNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 28719036 BSBZCMCGXXBUPK-UHFFFAOYSA-N 365.433 2.315 0 40 FEAB NC(=O)C1CCN(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 4689257 XGIALYJQLKUGRO-UHFFFAOYSA-N 371.359 2.148 0 40 FEAB CCc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 6678911 XHWMAHLWUSFIGF-UHFFFAOYSA-N 357.435 2.446 0 40 FEAB O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 5612129 MNFNXBWRNGPQJQ-UHFFFAOYSA-N 356.875 2.363 0 40 FEAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)on1 6832210 HJRIZKJRXAZKJP-CYBMUJFWSA-N 359.382 2.004 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 96000405 NZECINNZVGOEBL-AWEZNQCLSA-N 368.503 2.458 0 40 FEAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 6997850 QKMWUKUZOJWGBC-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB CC(=O)NC(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 5937290 BPYSXNWZLZLHGL-MDZDMXLPSA-N 369.421 2.076 0 40 FEAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cccnc1 9389958 YJUHFRIJEXEUDF-UHFFFAOYSA-N 351.391 2.223 0 40 FEAB O=C(Nc1cccnc1N1CCOCC1)[C@H]1COc2ccc(F)cc2C1 90395177 OUKRULHUHSNQGC-CQSZACIVSA-N 357.385 2.247 0 40 FEAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 16089482 CAZVFHOVNSPBBP-UHFFFAOYSA-N 364.375 2.402 0 40 FEAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7805489 ICUZKJOUUMIKND-UHFFFAOYSA-N 362.426 2.281 0 40 FEAB O=C(O)C[C@H]1CN(C(=O)/C=C/c2ccc(Br)s2)CCO1 91292383 CDIRBEPLMVPTMW-LXOKAJLYSA-N 360.229 2.226 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3ccccc3n1)C2=O 8189600 IPXUALVVGYBKDA-UHFFFAOYSA-N 352.394 2.380 0 40 FEAB O=C(CN1CSCC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8245474 GHIUUVUHDKXYLL-UHFFFAOYSA-N 371.466 2.143 0 40 FEAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17074303 ATNLBJXISDCFIW-BETUJISGSA-N 360.501 2.115 0 40 FEAB CCNC(=O)COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OC 9549631 YDJQAIGLPFHSFI-SFHVURJKSA-N 355.394 2.064 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1 18180925 AHEWKNIOPWGTSX-UHFFFAOYSA-N 354.401 2.029 0 40 FEAB Cc1nc2sc(C(=O)N[C@H](C)c3nnc4ccccn34)c(C)c2c(=O)[nH]1 95477169 PIFPXDKBGRKLRE-SECBINFHSA-N 368.422 2.135 0 40 FEAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 518985106 NKDCJHWSBXZOHT-YLFCFFPRSA-N 356.422 2.003 0 40 FEAB CNC[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 42524597 GFRPRIHLCCFBIN-VIFPVBQESA-N 353.307 2.131 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C)CC2)c(I)c1 39951862 BTRPCLSTPHAKGC-UHFFFAOYSA-N 374.222 2.220 0 40 FEAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccccc1-n1cnnn1 72406002 HPXKVLPDMGKMAW-UHFFFAOYSA-N 350.357 2.255 0 40 FEAB Cc1cc(CNC(=O)c2c(F)cccc2Cl)nc(N2CCOCC2)n1 224225650 QLFXDROLKBKRLN-UHFFFAOYSA-N 364.808 2.344 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2Cl)c1 224525592 ZSHAIUMZPPANNN-UHFFFAOYSA-N 369.826 2.484 0 40 FEAB COc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222429547 LYMOTKIPESXMMT-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(F)cc2Cl)n1 224178061 GEYXKWDYJJPXHC-UHFFFAOYSA-N 364.808 2.344 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 223860759 ADUFKWGPLAAQGM-UHFFFAOYSA-N 362.451 2.200 0 40 FEAB O=C(NCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344239 HESAORHXIJRDGQ-ZDUSSCGKSA-N 352.369 2.371 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2nnc3n2CCCC3)cc1 583615547 HDZQGLDJCHASHM-FXAWDEMLSA-N 356.470 2.495 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)NC1CCCCC1)C2 96227586 RTJLCNHEZKEPRE-PXNSSMCTSA-N 356.470 2.452 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247884059 WKONWFBLCPUAPW-JTQLQIEISA-N 351.428 2.456 0 40 FEAB O=C(COc1ccc(F)cc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257319322 VRWKNYMMWHOGGK-XOKHGSTOSA-N 356.401 2.344 0 40 FEAB Cn1cc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccncc2)c(C(F)(F)F)n1 585123252 MFJMMAGGGFRFQQ-OLZOCXBDSA-N 369.347 2.163 0 40 FEAB COc1ccccc1CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 74348309 FQUOEBNXRWXSEP-UKPHBRMFSA-N 363.483 2.037 0 40 FEAB biogenic Cc1nc([C@@H]2CC[C@H](CNC(=O)c3c(Cl)cncc3Cl)O2)n[nH]1 1775957966 VPNVLQRRXPZHCA-KCJUWKMLSA-N 356.213 2.465 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)CN(Cc1cccs1)C2 585110820 KRMSMFOWXPWIFW-LBPRGKRZSA-N 352.410 2.059 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 585108451 MBWGSGUXHGAYHA-BRWVUGGUSA-N 356.447 2.152 0 40 FEAB CCCCc1nc(CN2NS(=O)(=O)c3ccccc3C2=O)cs1 76940283 CACTZYSHVZVGGR-UHFFFAOYSA-N 351.453 2.335 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 78379200 KEIAVFQFZBYBSO-UHFFFAOYSA-N 358.417 2.164 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cc1ccsc1)OCO2 5658095 BBCFQJORTMVDMK-UHFFFAOYSA-N 361.375 2.404 0 40 FEAB CN(C)C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 5772636 PZHFMYRCQJWKDI-UHFFFAOYSA-N 373.526 2.493 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 13613059 PKHVGUWBQRCLQE-OAHLLOKOSA-N 373.478 2.277 0 40 FEAB CC(C)c1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 19454124 FCUXHFZYDBMUDS-PCCBWWKXSA-N 366.509 2.462 0 40 FEAB CC(=O)N1CCO[C@H](c2c(C(=O)NCC(F)F)sc3ncccc23)C1 19705497 JMBLERFMMRAUHI-NSHDSACASA-N 369.393 2.211 0 40 FEAB COc1ccc(OC)c(/C=C\C(=O)N[C@H](CO)CSCSC)c1 5202928 RWFHTIFTTYUMST-LLPBQKLSSA-N 357.497 2.248 0 40 FEAB NC(=O)c1cccc2c1CCCN2C(=O)C[C@@H](n1cccn1)C(F)(F)F 666679654 ZSSCOSNHQGPQKL-CQSZACIVSA-N 366.343 2.455 0 40 FEAB Cc1cc(N2CCN(c3cc(C(C)(C)C)nc(C)n3)CC2)n2ncnc2n1 1888869921 GBVAANMBOBFAOL-UHFFFAOYSA-N 366.473 2.155 0 40 FEAB CSc1nc(C)cc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888875771 HVTAOTNLKNTWKU-GJZGRUSLSA-N 368.462 2.128 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)[C@@H](C)n4cccn4)CC3)ccc2n1 1888882260 KCAREVASSAPTTR-OAHLLOKOSA-N 368.441 2.113 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cn1 2037908908 FXQKALKSKIAINO-IBGZPJMESA-N 359.401 2.360 0 40 FEAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cnn3ccccc13)CC2 1565550516 CAZDEUGPBJUEPO-UHFFFAOYSA-N 364.405 2.065 0 40 FEAB Cc1cc(OC[C@H]2CO[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]32)cc(C)n1 1565542404 ZEPGVXYVGOLTFD-CGTJXYLNSA-N 371.437 2.469 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 4941353 YBWGOPQHXYPMSP-MRXNPFEDSA-N 362.426 2.216 0 40 FEAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19078840 OHJRNECISALXGE-DYVFJYSZSA-N 370.428 2.392 0 40 FEAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 2247140 SVODXASRTNDFIO-WTGUMLROSA-N 373.412 2.463 0 40 FEAB COc1ccccc1[C@@H]1N=C(N2CCCCC2)Nc2nc(C)cc(=O)n21 101391960 SOQLJMCDWYAYOV-QGZVFWFLSA-N 353.426 2.375 0 40 FEAB CNc1snc(C)c1C(=O)NCCNC(=O)c1ccc(Cl)cc1 30762625 HTBGSTGJHPYTPZ-UHFFFAOYSA-N 352.847 2.306 0 40 FEAB Cc1cc(C)c2c(=O)nc(SCC(=O)N3CCCC3)n(C3CC3)c2n1 20353641 LANAKLOJWFNCSR-UHFFFAOYSA-N 358.467 2.458 0 40 FEAB O=C(CN1CCC(NC(=O)C2CC2)CC1)NC1(c2ccccc2)CCC1 52698943 WXIVRVDAIRXXBZ-UHFFFAOYSA-N 355.482 2.173 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)c1 22279179 MNVKVQWKPLKCDO-UHFFFAOYSA-N 365.407 2.253 0 40 FEAB COC(=O)Nc1ccc(NC(=O)c2cscn2)c(NC(=O)OC)n1 1635506 FTPQZIIRQIEZIL-UHFFFAOYSA-N 351.344 2.147 0 40 FEAB CN1CCN(C(=O)Nc2ccccc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 79076044 CTXUUFYUHBBDJT-ZDUSSCGKSA-N 366.437 2.498 0 40 FEAB O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 3053314 KWSRNFODVVETLY-KRWDZBQOSA-N 352.298 2.479 0 40 FEAB COc1ccccc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 22611847 WIOODIUIHLYHDR-UHFFFAOYSA-N 351.406 2.004 0 40 FEAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4150398 YQWKRGOHBLTSRA-PSJXJDHFSA-N 360.435 2.187 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1 104278573 FWNXQMOUUFLIQH-KRWDZBQOSA-N 358.438 2.210 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1COCCO1 25019386 NYOFFOVFKGLKCI-QGZVFWFLSA-N 370.361 2.022 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3ccccc3n2)c1C 9477383 KHLVXSKXOWKWBG-UHFFFAOYSA-N 369.377 2.173 0 40 FEAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 57453927 DCOJLLANPPMMEE-CYBMUJFWSA-N 370.327 2.406 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(C)=O)cc1 100395357 FVFJOIYTKDVNGT-UPGMHYFXSA-N 366.417 2.059 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C(=O)N(C)C)C(C)C)nc1 58203424 OZNSPJFOIRWBEW-HNNXBMFYSA-N 373.544 2.317 0 40 FEAB CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCNc1ncccc1C(F)(F)F 58210623 VKFYGUPUABMANH-CYBMUJFWSA-N 372.391 2.276 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccn(Cc3cccnc3)n2)c1C 58265661 MUNGXAKQLBDEIF-UHFFFAOYSA-N 353.382 2.310 0 40 FEAB Cc1cc(C)cc(OCCCN2NS(=O)(=O)c3ccccc3C2=O)c1 12686373 QQLLLMUWFPKTKE-UHFFFAOYSA-N 360.435 2.422 0 40 FEAB Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)no1 36100966 GISQJGBNAIIQCD-JTQLQIEISA-N 357.819 2.083 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCNC(=O)c2cccs2)C1 36395833 PJXBWUPEISBVHT-GJZGRUSLSA-N 351.516 2.352 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1nc(N)nc(N(C)C)n1 11118186 JGAZLIPIASATRZ-UHFFFAOYSA-N 370.438 2.309 0 40 FEAB COc1cccc(N2CCN(CC(=O)c3ccc4c(c3)OCO4)CC2)c1 59308137 QWZITGOCYPEXAB-UHFFFAOYSA-N 354.406 2.429 0 40 FEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417100 PYVNHVSDBNFQAE-ZUZCIYMTSA-N 366.849 2.488 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2cccs2)c1 29083337 SWCDYFUQNFHWNV-UHFFFAOYSA-N 352.481 2.002 0 40 FEAB COc1ccc(NC(=O)c2nccnc2N)cc1OCc1cccnc1 36833592 SCJYQIWDCLDGCR-UHFFFAOYSA-N 351.366 2.294 0 40 FEAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 12933919 UMLBJCOUWGBXRQ-LBPRGKRZSA-N 365.861 2.230 0 40 FEAB COc1ccccc1CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1OC 13069083 PCZUDSIBLNDEDJ-UHFFFAOYSA-N 365.407 2.223 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)(C)N1CCCCC1 13030338 VEGWMCQWMTVGPM-UHFFFAOYSA-N 354.472 2.236 0 40 FEAB COc1ncccc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1 306135135 OITNWGQGQJWSIQ-MRXNPFEDSA-N 364.453 2.426 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)Cc1ccco1)C2=O 39543966 IWGYIRVFRZCSJH-DJJJIMSYSA-N 361.442 2.375 0 40 FEAB COc1ccc(C2=NO[C@@H](CNC(=S)NCc3cccnc3)C2)cc1 5216014 MYXHFPJFZREMTC-MRXNPFEDSA-N 356.451 2.248 0 40 FEAB O=C(NCCC(=O)N1CCCN2CCC[C@H]2C1)c1ccc(F)cc1Cl 65475284 MGLVFEULLZWEIB-AWEZNQCLSA-N 367.852 2.296 0 40 FEAB NC(=O)[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 14245483 RMNLKVSJWNCXNN-HNNXBMFYSA-N 358.266 2.267 0 40 FEAB NC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 66688208 LOBXHPKAJGYCMR-HNNXBMFYSA-N 369.824 2.170 0 40 FEAB O=C(CSc1ncn[nH]1)Nc1ccccc1I 5736660 YDWAYVQTPYHOKN-UHFFFAOYSA-N 360.180 2.140 0 40 FEAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(F)cc1 4852332 VVUURJPYALOZJU-UHFFFAOYSA-N 369.356 2.071 0 40 FEAB O=C(NCC1(c2c(F)cccc2F)CCCC1)[C@H]1CCS(=O)(=O)C1 84339102 RYPPCNQAWYPLDA-LBPRGKRZSA-N 357.422 2.328 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCCCO2 9498977 FVMSCUKSUWHTAL-UHFFFAOYSA-N 365.389 2.357 0 40 FEAB Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1F 16206272 VZUFOXMYHLMLEO-UHFFFAOYSA-N 350.415 2.478 0 40 FEAB CCCNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996247 GILCMIRCQQRLPU-UHFFFAOYSA-N 371.437 2.196 0 40 FEAB O=C(Nc1ccncc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 8162951 VUSDHTRSQMAWNB-UHFFFAOYSA-N 358.357 2.326 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 8524515 QBSJVKIJWQGTHW-UHFFFAOYSA-N 354.193 2.069 0 40 FEAB C[C@H](CNC(=O)c1ccoc1)OC(=O)C1CCN(C(=O)c2ccoc2)CC1 95451347 WVZHIMMQCBUINX-CYBMUJFWSA-N 374.393 2.087 0 40 FEAB COCC(=O)N1CCc2cc(NC(=O)Cn3cc4ccccc4n3)ccc21 547658674 NWUKGGWFJWIGCN-UHFFFAOYSA-N 364.405 2.211 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c[nH]1 524735696 RWFZWWGGXTWDIC-UHFFFAOYSA-N 355.369 2.267 0 40 FEAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(O)nn1)CO2 530075077 FTPNMPNBFZFZSA-CZUORRHYSA-N 355.394 2.106 0 40 FEAB COCCC(=O)N1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 72362406 JNFKLEHLUYYJOG-UHFFFAOYSA-N 355.442 2.433 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C(C)(C)C)cc1 71980022 XILJOFWCOYKOJK-MRXNPFEDSA-N 360.454 2.332 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)CC1 32944913 CJIIXRHGWHPYPB-AWEZNQCLSA-N 359.499 2.425 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)[C@H](C(=O)O)C1 566689499 PSPPEHHTZCCDKK-BBRMVZONSA-N 361.373 2.024 0 40 FEAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CCN(CC(F)F)C3)[nH]2)c1 562780663 PPQJYIOZDDXPQP-CYBMUJFWSA-N 364.396 2.463 0 40 FEAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 40108104 BHJAWMYQGQUKPJ-VOTSOKGWSA-N 355.482 2.021 0 40 FEAB O=C(c1ccsc1)N1CCCN(C(=O)c2ncc(F)cc2F)CC1 191957406 XDKXUKVHQAUMDL-UHFFFAOYSA-N 351.378 2.410 0 40 FEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N(C)Cc1ccccc1F 225875709 KUOAJRDCOSILEZ-UHFFFAOYSA-N 357.432 2.234 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)N2 40386721 ZBSPLOZYFQXRCN-VIFPVBQESA-N 369.303 2.082 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1 226038317 MSYGDFWCTQUDQY-UHFFFAOYSA-N 359.378 2.217 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 222984792 GPBZPSVFXXTOCN-UHFFFAOYSA-N 354.453 2.012 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)[C@@H](C)N=C(O)c3ccccc32)sc1C 97531363 XTZZXYUYFIRWOR-SNVBAGLBSA-N 358.423 2.438 0 40 FEAB biogenic O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96043081 GAFVJIFFIFCVNT-RYQLBKOJSA-N 357.479 2.439 0 40 FEAB O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247945783 QTWAMNFKXPGHJU-CQSZACIVSA-N 366.400 2.197 0 40 FEAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(c1cc(N(C)C)ncn1)C2 248153317 YJGLJMJATJINHA-QGZVFWFLSA-N 369.469 2.201 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 257306279 STPNOPHIIGTGMQ-CQSZACIVSA-N 370.457 2.450 0 40 FEAB Cc1ccc2c(CC(=O)N3CC[C@@H]4OCC(=O)N(C)[C@H]4CC3)coc2c1 257224406 FBRPRNCRZSQBOH-IRXDYDNUSA-N 356.422 2.132 0 40 FEAB CCC(CC)C(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 253399496 JMSQTGKBGXBCJH-IRLDBZIGSA-N 373.541 2.202 0 40 FEAB biogenic,in-vitro N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382088 CVOPGWSAYOOQTC-KLHDSHLOSA-N 367.371 2.022 0 40 FEAB biogenic,in-vitro O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cccc2cn[nH]c12 24666655 SJQRDDPLKHQXIF-MRXNPFEDSA-N 366.446 2.394 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 252516529 TXHSFSZKJDXHRF-ZMSDIMECSA-N 365.838 2.370 0 40 FEAB CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1c1nccn1C 1615553611 TVJMMHZPVCOLDX-GDBMZVCRSA-N 350.825 2.317 0 40 FEAB CC(C)NC(=O)Cc1ccc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 608766827 QOYHTQWRPZWJLU-WNRNVDISSA-N 357.454 2.395 0 40 FEAB Cc1ccccc1CS(=O)(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 621307341 SHDKLUUOSAOJAS-QGZVFWFLSA-N 365.476 2.084 0 40 FEAB C[C@H](CC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1)C(F)(F)F 630141654 QURWXROWOWZYAP-SSDOTTSWSA-N 353.318 2.315 0 40 FEAB Cc1nc2c(cc1C(=O)N1CCc3ccccc3[C@H]1C(=O)O)c(C)nn2C 663147123 JNTGSMMVQWQEGK-KRWDZBQOSA-N 364.405 2.409 0 40 FEAB Cc1cn2c(n1)[C@@H](CN[C@@H]1CCCc3ccc(S(N)(=O)=O)cc31)CCC2 685648294 LBRCDRGVXQTUQY-CRAIPNDOSA-N 374.510 2.384 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147935 IROFMGJJOWSJNJ-MRXNPFEDSA-N 370.430 2.474 0 40 FEAB C[C@H](C(=O)NCCc1cccs1)N1CCN(c2ccccc2O)CC1 57383616 ATPUOEBRNJDFLR-OAHLLOKOSA-N 359.495 2.323 0 40 FEAB C[C@@H](Sc1nncn1C)C(=O)NCc1ccnc(OC2CCCC2)c1 55399483 SJVFMNLKUIFVIK-GFCCVEGCSA-N 361.471 2.329 0 40 FEAB COc1ccccc1C(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549162168 OQUOZUBKYWYXQR-UHFFFAOYSA-N 352.390 2.254 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)on1 1615189982 BMVLKMIPBMVYIT-HXUWFJFHSA-N 358.438 2.319 0 40 FEAB CN1CCC(NC(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595489 AYOYCLDGGHKLMR-DYXWJJEUSA-N 369.509 2.289 0 40 FEAB COc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1OC 11530980 VERYBJOFSZPIHC-UHFFFAOYSA-N 360.391 2.439 0 40 FEAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)C)nc3c2c1C 12181270 CKBREMXBGHSEIX-UHFFFAOYSA-N 361.471 2.371 0 40 FEAB COCC(=O)N[C@@H](C)Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 12337937 SAPDBAOEUIMFEM-NSHDSACASA-N 356.344 2.480 0 40 FEAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2o1 12536366 PWKDAZYFPCMNTJ-SNVBAGLBSA-N 374.422 2.223 0 40 FEAB Cc1nn(C)cc1CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1 12666921 SNPPXXWWPLFEBS-UHFFFAOYSA-N 354.458 2.333 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)c(C)c1 12802696 NMGXEHCPDKZFRC-QGZVFWFLSA-N 354.516 2.247 0 40 FEAB Cc1ccc(C(=O)Nc2ccc(SCCN3CCOCC3)nn2)cc1 13701731 CFKSTEOQHRJGIY-UHFFFAOYSA-N 358.467 2.462 0 40 FEAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2CCC(N)=O 19017542 MKOGLQYALOKONP-NSHGMRRFSA-N 361.461 2.260 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 19173353 LNKNFFLLCKGVHT-UHFFFAOYSA-N 354.378 2.444 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC[C@@H](C)C2)C1=O 5797810 RGIPEQUGHAEXDM-JLTOFOAXSA-N 373.453 2.111 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)no1 1888859568 STHDNGHOWZFXGU-ZIAGYGMSSA-N 355.442 2.279 0 40 FEAB COc1cc(C(=O)N(CC(=O)O)Cc2ccccc2)cc(OC)c1OC 225316478 YPBGEEYAVMKGTJ-UHFFFAOYSA-N 359.378 2.439 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3ncc[nH]3)CC2)CN1c1ccc(F)cc1 2037840598 OJRMNYOUQAMIQC-IBGZPJMESA-N 358.417 2.337 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984748 MKUQXODDYBMJRH-NRFANRHFSA-N 365.433 2.286 0 40 FEAB CC(C)N1CC[C@]2(CN(C(=O)CCF)C[C@H]2c2ccnn2C(C)C)C1=O 1565556114 NCGDCLGFLGAZOZ-HNAYVOBHSA-N 364.465 2.377 0 40 FEAB Cn1nc(CNC(=O)CCF)c2cc(C(=O)NCc3ccco3)sc21 1565553896 GKCWNDZTBWHOJD-UHFFFAOYSA-N 364.402 2.134 0 40 FEAB Cc1ccccc1NC(=O)C1(N(C)C(=O)Cc2n[nH]c(N)n2)CCCCC1 1070748 BQKNFZXEYDYNEV-UHFFFAOYSA-N 370.457 2.038 0 40 FEAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ncnc2c1CCC2 9203392 CRBIWZWIEYWZCV-UHFFFAOYSA-N 363.414 2.297 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)cn1 2055731592 ICSPRWBLCJDIDP-SFHVURJKSA-N 371.481 2.420 0 40 FEAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(C(=O)C(C)(C)C)C2)C1 2055835212 OMUXZFKJLCXAIL-FQEVSTJZSA-N 372.469 2.224 0 40 FEAB COc1nccnc1N(C)CC1CCN(c2ncnc3ncccc23)CC1 1775975178 BERXSAIVYDKZPN-UHFFFAOYSA-N 365.441 2.176 0 40 FEAB O=C(C1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382412 CVSUSOFRKSXEAN-SJORKVTESA-N 370.449 2.380 0 40 FEAB O=C(Cn1nnc2ccccc21)NCc1nccnc1-c1ccsc1 575620469 UKZVPZKONHARAA-UHFFFAOYSA-N 350.407 2.266 0 40 FEAB O=C(CCc1ccc(F)c(Cl)c1)N1CC(CN2C(=O)CCC2=O)C1 585148736 FJDHNCSNKDGEND-UHFFFAOYSA-N 352.793 2.019 0 40 FEAB O=C(NC[C@@H](OCCO)c1ccsc1)c1cncc(Br)c1 575621640 PZBIQMIFXAGCKU-CYBMUJFWSA-N 371.256 2.386 0 40 FEAB C[C@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 35565250 OOZLYRJGBGUXJY-QWRGUYRKSA-N 360.385 2.307 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)N1CCc2ccccc2C1)C(F)(F)F 40040269 LCZLUBBOAPBRNT-INIZCTEOSA-N 353.344 2.145 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(Cc2ccccc2Br)CC1 40161707 USQQYLTXDWRPSJ-HNNXBMFYSA-N 353.260 2.272 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 30938447 NVRJMVWICNJCCY-HNNXBMFYSA-N 368.361 2.131 0 40 FEAB Cc1nc(N[C@@H](CC(N)=O)C(=O)O)c2cc(-c3ccccc3)sc2n1 20315037 LKHJTXLHPYVCJJ-LBPRGKRZSA-N 356.407 2.407 0 40 FEAB CCOc1ncccc1CNC(=O)[C@H]1CCCN1C(=O)c1cccs1 32787230 WBBWVKJRNIAFAI-CQSZACIVSA-N 359.451 2.463 0 40 FEAB C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 8710636 IPPQUPPRUJKPBK-GFCCVEGCSA-N 365.480 2.451 0 40 FEAB COc1ccc(C(=O)C2=NON3O[C@@]23C(=O)c2ccc(OC)cc2)cc1 2042621 FVQGMXXUZFHDKN-QSVWIEALSA-N 354.318 2.014 0 40 FEAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 647801 FAKOWAJDNBQAFF-CQSZACIVSA-N 362.451 2.166 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4371875 SMLKJICDHLUSRA-SUNKGSAMSA-N 371.340 2.247 0 40 FEAB COCCNC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 4967051 ORWORFVVECZGDL-UHFFFAOYSA-N 362.524 2.453 0 40 FEAB COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C)c1C 6383814 NOOHTTMKWUZMAX-UHFFFAOYSA-N 372.402 2.386 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCCC1 6426411 DFUFCTRCOUMUCP-ZDUSSCGKSA-N 354.472 2.119 0 40 FEAB CCCN1C(=O)/C(=C\Nc2sc3c(c2C#N)CCC3)C(=O)NC1=S 6907432 ATXMFDQYEMNMMB-FLIBITNWSA-N 360.464 2.058 0 40 FEAB COc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccs3)NN21 940753 NKZCROLARIDGRU-OAHLLOKOSA-N 367.434 2.194 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(c3ccc(F)cc3)=NC2=N1 940735 IBDNNSYYEVLJLT-CQSZACIVSA-N 355.398 2.324 0 40 FEAB CC(=O)c1ccc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)cc1 23389261 IHNUULJQWQCEBL-LJQANCHMSA-N 358.438 2.182 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1ccc(Cl)cc1 8152485 YUMFYCSCSYUXMY-UHFFFAOYSA-N 357.797 2.245 0 40 FEAB C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(F)c1 8883514 DVEPYNPFYKJDLP-NSHDSACASA-N 365.380 2.397 0 40 FEAB Cc1ccccc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24684390 IOXCCTXELUPXLG-UHFFFAOYSA-N 362.433 2.190 0 40 FEAB Cc1nnc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)o1 24753432 IOOUZHBTHMSJJF-CQSZACIVSA-N 355.350 2.056 0 40 FEAB CC(C)n1ncc2cc(C(=O)N3CCN(Cc4cscn4)CC3)cnc21 55436853 WYXHBEIHRMPYAS-UHFFFAOYSA-N 370.482 2.427 0 40 FEAB C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCc2ccccc2C1 25410526 DGNQPKUSTXOUAX-QGZVFWFLSA-N 365.477 2.488 0 40 FEAB Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245034 HTMXQCQRBQXZIN-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)n(C)c1 25876990 RTLYHCDMEDQLIH-CQSZACIVSA-N 355.485 2.122 0 40 FEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CC1 10083079 MUHLWSBMVXIGRI-LBPRGKRZSA-N 371.890 2.154 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C2=O)o1 58184529 DJBVQEVWTUESGS-QGZVFWFLSA-N 363.320 2.272 0 40 FEAB O=C(COc1ccc(F)cc1)Nc1cnn(CC(=O)NC2CCCC2)c1 58202456 IUSRNEYUHZYDCH-UHFFFAOYSA-N 360.389 2.099 0 40 FEAB CCNC(=O)NC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 58244839 GHGIKFHLPRVVJM-UHFFFAOYSA-N 366.421 2.147 0 40 FEAB CCn1c(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)nc1=S 2145000 IQROFDNPECNEHP-NSHDSACASA-N 364.379 2.321 0 40 FEAB biogenic Cc1ccc(F)cc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108528765 ACQHBQYWZJXPOU-KRWDZBQOSA-N 370.490 2.197 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100599245 RDHSGYGWVJJQLA-RKVPGOIHSA-N 350.484 2.190 0 40 FEAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cnc2ccccn2c1=O 48237571 WRZRXWPCZCGHQI-SFHVURJKSA-N 362.433 2.261 0 40 FEAB O=C(Cc1ccccc1)NC1CCN(Cn2c(=O)oc3ccccc32)CC1 48279626 NMMSBNFCIUYFKF-UHFFFAOYSA-N 365.433 2.375 0 40 FEAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OC 62714899 RUADVJOEQHBVOF-ZJELKQJVSA-N 358.188 2.069 0 40 FEAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1 2377923 CXNXKSCFJKQGJK-UHFFFAOYSA-N 360.417 2.457 0 40 FEAB O=C(CCC(=O)N1CCc2sccc2C1)NC1(C(=O)O)CCCCC1 95364797 SJHUAYSHNIZUAR-UHFFFAOYSA-N 364.467 2.317 0 40 FEAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1C 45521320 JTOHQJMCFAFYHB-QRWLVFNGSA-N 372.421 2.412 0 40 FEAB CNC(=O)c1ccc(CN(C)Cn2nc(C)c3ccccc3c2=O)cc1 29541203 VMJLOHNKRIFYKY-UHFFFAOYSA-N 350.422 2.154 0 40 FEAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(Br)o1 3447711 JOAMBPUTPFQHJP-UHFFFAOYSA-N 363.211 2.357 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)NC3CCCCC3)C2=O)cc1 23055032 AFNMERMVRXWPPV-SFHVURJKSA-N 360.414 2.009 0 40 FEAB Cc1nnsc1C(=O)N[C@H]1CCCC[C@]12CN(CC(C)C)CCO2 306138014 RMPBTZSXHQRNAO-YOEHRIQHSA-N 352.504 2.246 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2C)n(C)c1=O 4249503 XNDVJSAJAZWJGJ-CYBMUJFWSA-N 367.453 2.403 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2c[nH]c3c(OC)cccc3c2=O)n1 71288323 YIRJDGOMWXPBSD-UHFFFAOYSA-N 373.390 2.422 0 40 FEAB O=C(COC(=O)[C@@H]1CC=CCC1)NCC(=O)Nc1ccc(F)c(F)c1F 6345553 GTZIBGSHPMKYBL-SNVBAGLBSA-N 370.327 2.058 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N2CCOC2=O)C1 65554203 MLWVQKLPPFMGDT-CQSZACIVSA-N 359.426 2.476 0 40 FEAB Cc1nccn1-c1ccccc1CNC(=O)CNC(=O)c1ccccc1F 65512711 AONBLCMQBGKGJY-UHFFFAOYSA-N 366.396 2.366 0 40 FEAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1 9184041 QHAUMDGSWYJDRN-FVQSIRDASA-N 369.352 2.047 0 40 FEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccco2)CC1 14249526 JJYQSKRSQQITPG-UHFFFAOYSA-N 353.422 2.364 0 40 FEAB COc1ccc(CN2CCN(C(=O)COc3ccc(OC)cc3)CC2)cc1 19555326 OMZBXUVDLCXJPG-UHFFFAOYSA-N 370.449 2.427 0 40 FEAB CC(C)Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 6640429 QBVYUFFDXCQVIX-UHFFFAOYSA-N 368.484 2.239 0 40 FEAB N=c1sccn1CC(=O)Nc1ccc(I)cc1 6889149 RTIWUIZLKWMHBT-UHFFFAOYSA-N 359.192 2.272 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1 5936726 MKNQJUQAYOOIJM-UHFFFAOYSA-N 371.455 2.216 0 40 FEAB COC(=O)c1sc2nc(CN3CCn4cccc4[C@H]3C)[nH]c(=O)c2c1C 15417308 AQMPWTAKCHKRED-LLVKDONJSA-N 372.450 2.458 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(C(C)=O)cc1 7164427 WFLJWGWXGUVHFT-LJQANCHMSA-N 367.401 2.395 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCc2nc(=O)c3ccccc3n2C)cc1 9338997 KDGIWNLIKOZLNJ-UHFFFAOYSA-N 364.405 2.463 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)OCCOc2ccccc2F)cc1 21481758 GYCAPOIHESITOA-UHFFFAOYSA-N 367.398 2.028 0 40 FEAB Cn1ccnc1[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 9313976 SSICISZCHKKSQK-MRXNPFEDSA-N 370.409 2.387 0 40 FEAB COc1ccc(-c2cc3c(N4CCN(C)CC4)nccn3n2)cc1OC 67285311 XPMFHXLUOJLKOM-UHFFFAOYSA-N 353.426 2.165 0 40 FEAB Cn1c(SCC(=O)NCCOc2ccccc2)nnc1-c1ccncc1 8343567 KEULYHUAIZSYQO-UHFFFAOYSA-N 369.450 2.164 0 40 FEAB Cc1c(C(=O)N2CCC(C)CC2)nnn1-c1cccc2c1CCN(C)C2 69810303 DNYJSAFFYGMWST-UHFFFAOYSA-N 353.470 2.436 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)c4ccccc4S3(=O)=O)o2)cc1 18269316 JGLDFDCJYVMKCX-UHFFFAOYSA-N 371.374 2.090 0 40 FEAB CC(C)[C@@H](C)NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8750434 RTQUZTWLHDFKAB-CYBMUJFWSA-N 353.426 2.202 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)cc1 8709069 XZHMUWUWTCKKBN-SFHVURJKSA-N 364.405 2.164 0 40 FEAB OCC[C@@H]1COCCN1Cc1nnc(-c2ccccc2Br)o1 89821283 NSSZAPJIRMSXBF-LLVKDONJSA-N 368.231 2.082 0 40 FEAB Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)no1 22799307 UEDSMWANFIGICA-HXUWFJFHSA-N 368.481 2.294 0 40 FEAB CN(C)C(=O)NCC[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1 306130117 IWNMEQVYQUAQBY-GOSISDBHSA-N 355.486 2.219 0 40 FEAB O=S(=O)(c1cnc2ccsc2c1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 514848790 PQDWAMNQUKIVGG-OCCSQVGLSA-N 350.465 2.486 0 40 FEAB CC(=O)N1CC[C@](C)(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 520301795 OXYKRHBGBLBFCY-FQEVSTJZSA-N 358.486 2.184 0 40 FEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 3065522 IVUHZEATUUXCOZ-SFHVURJKSA-N 352.390 2.447 0 40 FEAB biogenic CNCC(=O)N1CCC(c2nccnc2Oc2ccccc2OC)CC1 72363293 FLMVSIYGBSJJSK-UHFFFAOYSA-N 356.426 2.203 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 238821387 CSMTWHRDFCPLLY-UHFFFAOYSA-N 368.485 2.105 0 40 FEAB COc1ccc2cc(C(=O)NCc3nc(-c4cccn4C)no3)[nH]c2c1 225765987 VBRMRZXXFQAHIN-UHFFFAOYSA-N 351.366 2.495 0 40 FEAB COc1ccc(OCc2cn(CC(=O)NCCc3ccccc3)nn2)cc1 227162768 YMZDQDCFLDURKB-UHFFFAOYSA-N 366.421 2.225 0 40 FEAB CC[C@H](C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1)c1ccccc1 224311080 YNBJKWAYORKBSG-SFHVURJKSA-N 353.470 2.385 0 40 FEAB COc1cc(C)n(CCNC(=O)c2cc(Cl)ccc2OC)c(=O)c1 225614870 GEVUGXYFPFGEQL-UHFFFAOYSA-N 350.802 2.257 0 40 FEAB CN(CCN1C(=O)c2ccccc2C1=O)C[C@H]1COc2ccccc2O1 46560260 OKXUWCLDOJNOQA-AWEZNQCLSA-N 352.390 2.054 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCCN2CCCC[C@H]12 85880110 ZLTJJMXOFVRLPO-DLBZAZTESA-N 369.469 2.445 0 40 FEAB biogenic COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccnc1)C=C2 96115871 MDQHOGXVRBMMHM-UHFFFAOYSA-N 353.378 2.093 0 40 FEAB biogenic CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cccc3c2OCCO3)C1 583617597 IQLKDVLIBSOZGO-CABCVRRESA-N 356.426 2.415 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CCc2c([nH]c3ccccc23)C1 96345302 BWAOTGQNSQHDIS-UHFFFAOYSA-N 362.433 2.188 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 252515094 GZPIUKGUOFDJAC-WOSRLPQWSA-N 374.890 2.073 0 40 FEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257303755 SINWTTFTVRCFMR-QGZVFWFLSA-N 353.470 2.326 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2cc(C)oc2C)cc1 85561886 HCZKQPPBKFNXPY-MRXNPFEDSA-N 367.423 2.085 0 40 FEAB Cc1cc(N)cc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257292283 QKUDJIPLRAMHJO-GOSISDBHSA-N 352.442 2.205 0 40 FEAB COc1ccc(OCC(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCC[C@H]2[C@]4(C)C3)cc1 257309628 UBRXSPKNYTWCLE-DZJZLKLXSA-N 372.465 2.464 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257316671 VGNMQBMZMYKKAD-OAHLLOKOSA-N 353.419 2.348 0 40 FEAB CCOc1cncc(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 621728503 RFQXOTSMVYRJBY-IAGOWNOFSA-N 367.449 2.489 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)cn2)C1 1116792676 DQXMPKPJLKJDSI-NSHDSACASA-N 371.359 2.154 0 40 FEAB O=C(Cn1cc(C(=O)O)cn1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 630115095 BUCPEUSBZDQGOT-DGCLKSJQSA-N 353.300 2.272 0 40 FEAB CCc1cc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)n(C)n1 635458774 DHCKXZWFSRSOIV-UHFFFAOYSA-N 355.486 2.157 0 40 FEAB CN(Cc1nnc([C@@H]2CCCOC2)o1)Cc1cn(C)nc1C(F)(F)F 644256158 JLOUHLIKYASMNJ-SNVBAGLBSA-N 359.352 2.348 0 40 FEAB O=C(NCC(F)(F)c1ccc(F)cc1)N[C@@H]1C[C@@H]2CCCCN2C1=O 661302288 RFVUGXJYJCTQDF-UONOGXRCSA-N 355.360 2.370 0 40 FEAB COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)nn1 96097847 BAFWYEZMCNPPKT-UHFFFAOYSA-N 364.287 2.337 0 40 FEAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3CCC(C)C)C2)c1 585107986 QHMAYYIEARWFPT-MAUKXSAKSA-N 352.500 2.436 0 40 FEAB O=C(NC1CC2(CCN(C(=O)Cc3ccccn3)CC2)C1)c1cccnc1 585103694 FJVSJZGTDXACQZ-UHFFFAOYSA-N 364.449 2.220 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1 585099157 QTRVBKMIOWBFTP-GOSISDBHSA-N 371.481 2.281 0 40 FEAB C[C@@H](Cc1ccccc1F)C(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685941747 AWGAATRUXMKZAD-LBPRGKRZSA-N 358.417 2.233 0 40 FEAB Cc1ccc(SCCNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1 54657646 KZHPOGOUCNBOFG-OAHLLOKOSA-N 360.483 2.119 0 40 FEAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cn1cnc2c(cnn2C)c1=O 58201958 WWRXSALATOONEF-CQSZACIVSA-N 367.453 2.003 0 40 FEAB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC[C@H]1CCCO1)CC2 548021727 SUJMOGYQYBAQOE-CABCVRRESA-N 364.515 2.318 0 40 FEAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1ccccc1F 188333494 JNKZQVFAOOHOSW-UHFFFAOYSA-N 354.369 2.378 0 40 FEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 5706818 RGPFRWHTVUVNAT-BPUTZDHNSA-N 362.426 2.403 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)cc1OC 12117571 WBPYDUQNUQFWMG-UHFFFAOYSA-N 370.409 2.435 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(C(=O)C2CCCCC2)CC1 12121372 USXQLGSORCKMOL-UHFFFAOYSA-N 357.501 2.228 0 40 FEAB Cn1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)c2cccnc21 12186737 XBHKFSOJSBOCIU-UHFFFAOYSA-N 369.469 2.077 0 40 FEAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CC2)C1=O 12241963 HQXAXWQHYZFZOO-HNNXBMFYSA-N 368.389 2.293 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 13001182 OZMWRBWXXOTNAW-UHFFFAOYSA-N 363.417 2.311 0 40 FEAB CC[C@H](C(=O)N[C@@H](C)COC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712803 WYFZHYNCJXUCIY-SMDDNHRTSA-N 362.879 2.036 0 40 FEAB CC[C@@H](C(=O)NCCCOC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714092 UJHKDQYPANURBE-AWEZNQCLSA-N 362.879 2.037 0 40 FEAB CCCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 15674607 OPDKCGBGEZXCGL-UHFFFAOYSA-N 354.457 2.097 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 18180916 UJJXEJIXSFIVBN-UHFFFAOYSA-N 352.866 2.404 0 40 FEAB O=C(CCn1cnnn1)NCCc1nc(-c2ccc(Cl)cc2)cs1 19336900 BFXBQYQTMWISLQ-UHFFFAOYSA-N 362.846 2.199 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)no1 19452696 WMMNGPFNLZQRQT-CYBMUJFWSA-N 356.426 2.321 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n1 19572849 DFYMBFBQIDVHDA-MAUKXSAKSA-N 368.485 2.250 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n1 19572858 DFYMBFBQIDVHDA-QAPCUYQASA-N 368.485 2.250 0 40 FEAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc2c(c1)n(C)c(=O)n2C 19712319 LWMKVIFVDCEKRY-RBUKOAKNSA-N 370.497 2.242 0 40 FEAB COCCn1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1 630165578 VTKMAQJFTYFIKJ-UHFFFAOYSA-N 362.817 2.327 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]1CO 249074332 KLJCPDBQYPQQON-IPYPFGDCSA-N 369.412 2.279 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)ncc2C1 19018323 GDYLNFHAECPBLO-MRXNPFEDSA-N 356.470 2.277 0 40 FEAB O=S(=O)(C1CCCCC1)N1CCN(c2ccc(C3CC3)nn2)CC1 575608213 MJZVDEWMACSZFT-UHFFFAOYSA-N 350.488 2.139 0 40 FEAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccncc1 851101 GVACJRCOQLXMAI-UHFFFAOYSA-N 357.229 2.331 0 40 FEAB CCCNC(=O)COC(=O)CSc1nnc(-c2cccs2)n1CC 11764497 ZQFSVKYJFZWWFF-UHFFFAOYSA-N 368.484 2.188 0 40 FEAB COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)N(C)C 5783708 IPULYIRLZAMPAN-ZDUSSCGKSA-N 368.231 2.174 0 40 FEAB C[C@H]1COc2ccccc2C(=O)NCCCCCC2(CCNCC2)C(=O)N1 2037916267 ARTSWTFMRUCOQK-INIZCTEOSA-N 373.497 2.244 0 40 FEAB Cc1ncnc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)c1C 2056224769 VEDDJTMBOTULAY-KDURUIRLSA-N 365.481 2.473 0 40 FEAB Cc1cccc(F)c1C(=O)N1CCC[C@]2(CCN(CCN(C)C)C2=O)C1 1614929062 CDIZBFGKXGUEEG-FQEVSTJZSA-N 361.461 2.150 0 40 FEAB C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 1565553282 RNGAHZSUVCLMLP-DWQUBVKVSA-N 370.440 2.344 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccc3c(c2)OCO3)o1 9701739 RSBFOFGMXQMMRP-UHFFFAOYSA-N 367.317 2.375 0 40 FEAB CN(Cc1nnco1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974852 SZAPZUZQLMTZEH-UHFFFAOYSA-N 358.352 2.125 0 40 FEAB O=C(NC[C@@H](c1cccs1)n1cccn1)[C@@H]1COc2ccccc2O1 575612614 BKIJJZVDDHGXBJ-BBRMVZONSA-N 355.419 2.490 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n[nH]1 19083630 RYEVLMQJQZMDCV-OAHLLOKOSA-N 354.458 2.120 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(C)nc3ccccc3c2=O)c1 31560791 PCBRQUJXICPNBO-INIZCTEOSA-N 352.390 2.347 0 40 FEAB O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c1O 20507208 BLCGMDNJJCBDCD-KRWDZBQOSA-N 368.345 2.163 0 40 FEAB Cc1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)ccc2o1 32770874 OBKABWKUKWEZGI-INIZCTEOSA-N 363.377 2.195 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)NCCCO[C@H](C)c1ccccc1 32759999 SWCXXNKJYJIOIO-UKRRQHHQSA-N 353.488 2.061 0 40 FEAB COC(=O)C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(C)cc1 32900186 OSPQNISVVXZYJR-INIZCTEOSA-N 365.389 2.037 0 40 FEAB S=c1scnn1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 32909060 HOAYMMKEYXHXMH-UHFFFAOYSA-N 350.469 2.178 0 40 FEAB Cc1ccc(OC[C@H](O)Cn2c(NCCO)nc3ccccc32)c(C)c1 33014953 XMUOPSPTFPILAJ-MRXNPFEDSA-N 355.438 2.497 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc3c(c2)OCO3)C[C@H](C)O1 41911352 NIOYWSHRRLPNOE-ODYMAQSMSA-N 360.454 2.433 0 40 FEAB C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C[C@@H](C)O1 704011 CGASQDXEZFOVIF-ZIAGYGMSSA-N 372.450 2.194 0 40 FEAB O=C(NCCOc1ccccc1)NCc1ccccc1CN1CCOCC1 54040730 RSAUWGOGDLEXSA-UHFFFAOYSA-N 369.465 2.397 0 40 FEAB Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2Cl)cc1 4942580 ZYSCWXFUJWRWPR-UHFFFAOYSA-N 351.858 2.341 0 40 FEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 4999889 XQXJCEXVOPPKTH-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB Cc1nc(N2CCCN(C(=O)c3ccsc3)CC2)c2cnn(C)c2n1 54124925 UCISQHFKJMVSIJ-UHFFFAOYSA-N 356.455 2.086 0 40 FEAB CC(C)[C@H](CNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1 42482245 RXNXXHPVCKKGLT-KRWDZBQOSA-N 364.511 2.134 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082272 MELPLCAVHISQKD-UZUXZZKPSA-N 354.381 2.206 0 40 FEAB CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476158 PPLVXTMQIJDNMC-ZDUSSCGKSA-N 354.472 2.398 0 40 FEAB Cc1cccc(N2CCN(CCNC(=O)[C@H](C)OCC(F)(F)F)CC2)c1 43034591 FEMLMMCSPBCDIY-HNNXBMFYSA-N 373.419 2.201 0 40 FEAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C)C(=O)N3CCCC3)o2)cc1 58440782 LEKPZHRBQSVFHM-AWEZNQCLSA-N 356.426 2.105 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1 106164831 XNSQNNSIBAQRAN-RVKKMQEKSA-N 360.454 2.187 0 40 FEAB COc1ccc(-c2nnc3s/c(=C/c4ccccc4)c(=O)n23)cc1OC 9189103 CCTOZZLIZXBWRJ-MHWRWJLKSA-N 365.414 2.383 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 25501499 VOEKYBDELNBZOH-ZDUSSCGKSA-N 374.418 2.233 0 40 FEAB Cc1cnn([C@H]2CCCN(C(=O)Cc3csc(N4CCCC4=O)n3)C2)c1 107255595 CQOVYCXPTSEUMB-HNNXBMFYSA-N 373.482 2.181 0 40 FEAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCC(C(N)=O)CC1 57669962 RGZFSAORPGMRNU-MRXNPFEDSA-N 374.464 2.244 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 12757990 CLBIUVNHTUULKQ-UHFFFAOYSA-N 352.438 2.435 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1 3364920 JAPMXRKVDWIWFS-UHFFFAOYSA-N 372.446 2.099 0 40 FEAB C[C@]12CC[C@H]3[C@@]4(CC[C@]5(O)C[C@@H](O)CC[C@]35CO4)[C@@H]1CC[C@@H]2C(=O)O 119229890 MAUIYISYPHUCFP-GQDXAXGOSA-N 350.455 2.339 0 40 FEAB COc1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113938729 NAHUMIKWIIMVSL-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 29837066 BYKJTIFEAIEESB-UHFFFAOYSA-N 360.364 2.164 0 40 FEAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 2662944 KKTDVGJPSIKDCY-JTQLQIEISA-N 365.484 2.076 0 40 FEAB Cn1nc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O 3586016 SPNBAOWLMCRNBM-UHFFFAOYSA-N 373.315 2.007 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 9096313 DVDULGFTURRMRX-UHFFFAOYSA-N 368.480 2.317 0 40 FEAB CCc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 14076384 OPDKYKYXMHLSFE-UHFFFAOYSA-N 371.418 2.240 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 4935491 ABXMPZDQDYBFRX-UHFFFAOYSA-N 359.455 2.471 0 40 FEAB COc1cc(C(=O)N(C)CC(=O)NC(C)C)cc(OC)c1Br 7241972 WRRIVIUBHBZSFF-UHFFFAOYSA-N 373.247 2.063 0 40 FEAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7494272 XXSGFLGKJVTGHK-CQSZACIVSA-N 373.478 2.422 0 40 FEAB CCOc1ccc(CN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 16044944 FSRPJVYSPBIEHC-HOTGVXAUSA-N 358.438 2.434 0 40 FEAB COc1ccc([C@H](NC(=O)Cc2c(C)noc2C)c2nccn2C)cc1 16475700 HRWAXAMQNGRGCT-SFHVURJKSA-N 354.410 2.482 0 40 FEAB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc2c(c1)OCO2 8514939 ISPSCHXUAUMNEY-UHFFFAOYSA-N 355.379 2.326 0 40 FEAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 9501634 YGUNLTZFZKCGIH-AWEZNQCLSA-N 354.472 2.355 0 40 FEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC(C)C)ncn3n2)cc1 9727241 NTLHWOUPNTUNRN-UHFFFAOYSA-N 367.453 2.283 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 9951794 AERLELWDTSZLOY-UHFFFAOYSA-N 356.300 2.482 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2C(=O)OC)c1 67874281 ZMAJHTWHDLKZSF-UHFFFAOYSA-N 367.354 2.200 0 40 FEAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccsc3)CC2)C1 306139524 SZKQHOOTEJDROP-UHFFFAOYSA-N 361.471 2.221 0 40 FEAB CCc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36071069 ATZAXLBIRTWDDO-LJQANCHMSA-N 370.474 2.379 0 40 FEAB CCOC(=O)CN1CCO[C@H](COc2cccc(Br)c2)C1 217497250 HAJCXAYCCBTEQG-AWEZNQCLSA-N 358.232 2.092 0 40 FEAB C[C@@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@H](O)/C=C\C(=O)O1 34633353 ZZWKZQDOSJAGGF-OUCARUHFSA-N 365.470 2.075 0 40 FEAB in-vitro CCC(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC)C1 72389010 ABYRHBXTZNBMHK-OAQYLSRUSA-N 367.449 2.045 0 40 FEAB CCOc1ccccc1-c1noc(CN2CCN(C(=O)C3CC3)CC2)n1 30351343 KECUUKJAMNECOB-UHFFFAOYSA-N 356.426 2.190 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)NC[C@@H]1CCN(C)C(=O)C1)C2 565476239 WKXGWYILGIPCAP-CQSZACIVSA-N 357.454 2.120 0 40 FEAB NC(=O)c1cn(CC(=O)N2CCCCC[C@@H]2c2ncon2)c2ccccc12 527056309 PCNCPDHVLYMOGW-MRXNPFEDSA-N 367.409 2.267 0 40 FEAB COc1cccc(N(C)C(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 225975640 FUDPCZCXKFBLEL-UHFFFAOYSA-N 362.451 2.297 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(N)=O)ccc1Cl 223834131 DXHQTXJYTNGHQG-UHFFFAOYSA-N 368.798 2.026 0 40 FEAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 226085378 ZYANTGKKLJRQDM-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3cc(OC)ccc32)c1 225414406 QKNRPCAFIULBPS-GOSISDBHSA-N 374.462 2.411 0 40 FEAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 44904957 PUPVZPVOGNWVMF-ZDUSSCGKSA-N 358.419 2.017 0 40 FEAB Cc1nc(CCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cs1 40043069 NMSAOJBMCABUIR-UHFFFAOYSA-N 362.480 2.199 0 40 FEAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1cc(F)ccc1OC 226076580 XAMBJRCPJLURMQ-UHFFFAOYSA-N 360.451 2.007 0 40 FEAB O=C(O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ncccn1)C2 96185225 AAYMQILWPOZVFZ-YJBOKZPZSA-N 358.467 2.341 0 40 FEAB COc1ccc(CN2C[C@H](OCc3nc4ccncc4[nH]3)[C@H](F)C2)cn1 96112135 UBECGIIIGZBVQG-CJNGLKHVSA-N 357.389 2.101 0 40 FEAB biogenic,in-vitro COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)c1cn(C(C)C)cn1 535137762 MLHKWJUTMROXOE-UHFFFAOYSA-N 357.363 2.111 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 96222784 CHBCTJGWBZGTLY-IEBWSBKVSA-N 356.401 2.492 0 40 FEAB Cc1cncc(-c2nc(CN3CCN(c4cncc(F)c4)CC3)no2)c1 581232086 KPAZYPSSCZIKLB-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB COc1ccc2c(ccn2CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 98038007 ONQQHCJAXBGEMN-QGZVFWFLSA-N 352.390 2.462 0 40 FEAB biogenic CC(C)Cc1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)s1 94992953 FURCNDIJVCYGDA-LBPRGKRZSA-N 373.438 2.465 0 40 FEAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1cccc3[nH]ccc13)C2 248012053 PPJPXUVREKCWRK-INIZCTEOSA-N 357.454 2.006 0 40 FEAB Cc1ccccc1CC(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 248134796 CCLVIRJBCWNNNY-QGZVFWFLSA-N 353.422 2.167 0 40 FEAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCc2ccccc2Cl)c(C)o1 85562030 KGSHGJHPGDEJHB-INIZCTEOSA-N 364.829 2.406 0 40 FEAB Cc1cncc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257225522 FGNZOVXFNMXBPA-CQSZACIVSA-N 352.394 2.099 0 40 FEAB CSCC[C@H](NC(=O)CSC)C(=O)Nc1ccc2oc(O)nc2c1 609171709 MTYVPQGIRYBESE-JTQLQIEISA-N 369.468 2.073 0 40 FEAB C[C@H]1CN(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC[C@H]1C(=O)O 626760085 DFBUPALCLXJWLO-SWLSCSKDSA-N 362.430 2.032 0 40 FEAB Cc1ccccc1Cc1noc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)n1 643961802 GQJTWJYIRBICHR-KSZLIROESA-N 356.470 2.046 0 40 FEAB COc1ccc(CNC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 298106716 NCBIEJXBRNVXTJ-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4cccs4)CC3)C2)cn1 585104864 VWUJZIOJSIYZTC-UHFFFAOYSA-N 358.467 2.296 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccc(C)n(C)c2=O)C[C@H]1Cc1ccccc1 585273553 WQCZOJIOGOCHHX-IEBWSBKVSA-N 354.450 2.414 0 40 FEAB C[C@@H]1c2ncc(CCOc3cccnc3)n2CCN1Cc1cnn(C)c1 585098006 QIAXHVRJHRXDPM-OAHLLOKOSA-N 352.442 2.210 0 40 FEAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)c1 585276212 DRFFGPYUMOTAGS-HXUWFJFHSA-N 355.438 2.042 0 40 FEAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1 32741056 PGLBRXPWHWNJAQ-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB Cc1nnc([C@H](C)NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)o1 84291334 UENNCULQRKSEDD-ORAYPTAESA-N 356.426 2.498 0 40 FEAB CCOCCCNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14401686 RHSBVQINKOEEIH-UHFFFAOYSA-N 370.515 2.392 0 40 FEAB CCOc1ccc([C@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 19532730 QGZZCXUZWKSEHJ-LJQANCHMSA-N 372.517 2.455 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19580340 WBVXYDJWVJOOGT-UHFFFAOYSA-N 366.421 2.477 0 40 FEAB O=C(c1cncc(Br)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 244933290 CKRIWGAKBKIEPQ-ZDUSSCGKSA-N 362.231 2.400 0 40 FEAB O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1 19659480 LVASPWTZPWDKHB-UHFFFAOYSA-N 371.349 2.360 0 40 FEAB O=C(NCc1cccnc1N1CCCC1)c1cccnc1O[C@H]1CCOC1 253401183 MOVHFLQBKZUVHB-INIZCTEOSA-N 368.437 2.175 0 40 FEAB COCc1cn([C@@H]2CCN(C(=O)c3cc(Br)cs3)C2)nn1 585149697 QPQLNBCNHZFGEY-LLVKDONJSA-N 371.260 2.336 0 40 FEAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CC3)nnc12 4509872 NBOLPNVORMAQHU-UHFFFAOYSA-N 371.466 2.215 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888853973 LJKNVDMFPFPKDY-BETUJISGSA-N 360.820 2.406 0 40 FEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cccc(C)c2C)CC1 19312700 MQQDSNYKTXDJCS-UHFFFAOYSA-N 362.426 2.197 0 40 FEAB COc1cc(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)on1 1565555859 RBALWZNSKMVFQH-SFHVURJKSA-N 359.357 2.092 0 40 FEAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 16805096 LGOZLFHOISXMTO-PTNGSMBKSA-N 360.435 2.144 0 40 FEAB Cc1cccc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)c1 2055739022 IAECKLDOANMSMI-HNNXBMFYSA-N 353.422 2.410 0 40 FEAB CCOC(=O)[C@@H](C)Sc1ncnc2c1nnn2Cc1ccc(F)cc1 4166488 QGLDNHFOGFAFKC-SNVBAGLBSA-N 361.402 2.452 0 40 FEAB Cc1cc(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)no1 40018145 JFNSRGYMPBJCPO-UHFFFAOYSA-N 350.425 2.233 0 40 FEAB O=C1C[C@@H](C(=O)N(Cc2cccnc2)C2CC2)CN1Cc1ccccn1 40087923 IXBJGIADYJZEHJ-MRXNPFEDSA-N 350.422 2.016 0 40 FEAB CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)C1 40007795 ILZLKWAWVHJMHX-IEBWSBKVSA-N 367.449 2.143 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 40090536 LBUOBZDANQRWHR-CALCHBBNSA-N 374.481 2.248 0 40 FEAB O=C(NC1CCN(c2ncccn2)CC1)c1cnn(Cc2ccccc2)c1 40106646 SGIROBBTCYDZGZ-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 40105838 JQIUYQPPPSKYMQ-SECBINFHSA-N 369.219 2.253 0 40 FEAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cc[nH]n1 40105384 XCSJSNLVQLIUGW-SJFHUFEGSA-N 358.486 2.383 0 40 FEAB O=C(NCCN1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1 20169602 LKGLQJRHXYZONS-UHFFFAOYSA-N 365.905 2.000 0 40 FEAB Cc1cccc(OCCNC(=O)Cn2nc(C)c3ccccc3c2=O)c1 21302959 IIFWSEBAOORIDD-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB COCCCn1c(-c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 32769337 SYKQNUHMJKXVRT-UHFFFAOYSA-N 374.416 2.385 0 40 FEAB CCN(CCNC(=O)c1cnc2ccccn2c1=O)c1cccc(C)c1 32894841 QLVXFPQBBIPPIX-UHFFFAOYSA-N 350.422 2.259 0 40 FEAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 795866 TZHDJRYFEDHJEC-UHFFFAOYSA-N 359.411 2.063 0 40 FEAB CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)O)cc1 12346116 ONQUDWNJNBNMFH-BLLLJJGKSA-N 355.412 2.399 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)s1 6818397 HAIIOZCTOQENAZ-UHFFFAOYSA-N 354.457 2.329 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)CNC(=O)c2cccs2)CC1 23638891 NBJKPIUKPHLTCH-UHFFFAOYSA-N 357.479 2.131 0 40 FEAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NS(C)(=O)=O 10112889 RLLAALCOTXVFHK-UHFFFAOYSA-N 362.407 2.390 0 40 FEAB CCOc1ccccc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 24102750 OIIQYBVOCLGIKD-UHFFFAOYSA-N 365.433 2.394 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O 1162053 IAPOAPXFTSBLMS-ADVUTCEVSA-N 363.391 2.446 0 40 FEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NCCCc1ccccc1 24667123 PCYKCOWCSKBKHK-UHFFFAOYSA-N 371.506 2.255 0 40 FEAB COc1cccc(CC(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)c1 24671818 GFYYDUVAAGVZJM-GOSISDBHSA-N 370.474 2.456 0 40 FEAB O=C(N[C@H]1C[C@H]2C(=O)Nc3cc(Cl)ccc3C(=O)N2C1)c1ccccc1 8297010 NVIRECKKEVOUKU-BBRMVZONSA-N 369.808 2.305 0 40 FEAB biogenic,in-vitro Cc1ccc(C)c(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)c1 24991348 ZKQWKANYAQAMRC-OAHLLOKOSA-N 353.422 2.121 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnn(C)c3)s2)CC1 106740225 AKQLBZPSOCRFIB-UHFFFAOYSA-N 368.484 2.155 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 47987950 BWDHOSWPFOKZHX-UHFFFAOYSA-N 374.441 2.193 0 40 FEAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486672 DDHSYKRHMMOKCE-UHFFFAOYSA-N 372.356 2.024 0 40 FEAB CSCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 57257239 OXHVMNUQBGENBE-JTQLQIEISA-N 372.288 2.384 0 40 FEAB COc1ccc(N(C)C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cn1 58269528 HRBXULZHAMVAEX-QGZVFWFLSA-N 353.422 2.287 0 40 FEAB Cc1cnc(N2CCC3(CC2)C[C@@H](N(C)Cc2ccncc2)CO3)nc1 104942396 NLTWMFGUASSXDS-GOSISDBHSA-N 353.470 2.440 0 40 FEAB CC(C)(C)c1nc(CN2CCN(C(=O)Cc3ccccc3F)CC2)no1 58311560 USCVFZQPWONISZ-UHFFFAOYSA-N 360.433 2.393 0 40 FEAB Cc1ccc(C)c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1 3368750 HSBUTCPJOHBHOH-UHFFFAOYSA-N 365.389 2.346 0 40 FEAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1C[C@H](C)O[C@@H](C)C1 2387310 IPMLNIPTCWCDFR-KBPBESRZSA-N 359.430 2.069 0 40 FEAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1C 12892311 CNEQQDFNHNVZBR-UHFFFAOYSA-N 364.511 2.472 0 40 FEAB O=C(COC(=O)/C=C/c1cccc(F)c1)NC(=O)NCc1ccccc1 3512635 YVVHYJHVEFCRMJ-MDZDMXLPSA-N 356.353 2.408 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cl)c1 3551649 IMCJVTDRWWMMCF-NSHDSACASA-N 371.784 2.500 0 40 FEAB O=C(C1CCCC1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 12917667 OCAFNWWLCIBUHT-UHFFFAOYSA-N 374.872 2.411 0 40 FEAB Cc1nc(NC(=O)CN2CCc3ccccc3C2)sc1C(=O)N(C)C 13322663 JYQAVRJIFKQVSK-UHFFFAOYSA-N 358.467 2.150 0 40 FEAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)s1 5033582 MWNGDGRZUZOEIR-SECBINFHSA-N 361.456 2.196 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCOC(C)C 39990654 FYWNBEINDZSAAZ-IBGZPJMESA-N 356.470 2.387 0 40 FEAB CNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 5312468 ZYWQSSGGIMJOSC-UHFFFAOYSA-N 357.410 2.422 0 40 FEAB CC(=O)Nc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 15461025 MWKUHJLBRPRWLT-UHFFFAOYSA-N 362.393 2.152 0 40 FEAB Cc1csc(N(C(=O)CCn2[nH]c(=O)ccc2=O)c2ccccc2)n1 7735098 BWBIVKPEKAVEIO-UHFFFAOYSA-N 356.407 2.057 0 40 FEAB CCOc1ccccc1N1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 8290923 OTQIKYNZSYHBKS-UHFFFAOYSA-N 373.497 2.430 0 40 FEAB C[C@@H](c1ccc(F)cc1)n1cc(S(=O)(=O)N2CCCC2)ccc1=O 8389240 SILLILZDXQXAPQ-ZDUSSCGKSA-N 350.415 2.381 0 40 FEAB COc1c(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c(C)nn1C 92005136 AJEDFBZMHQDRLK-HNNXBMFYSA-N 357.458 2.291 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)O[C@H]3C(=O)OCC3(C)C)cc2)CC1 95456260 YVTDRBOMGQHJIS-KRWDZBQOSA-N 360.454 2.325 0 40 FEAB Cc1ccccc1CNc1ncc(Br)cc1S(N)(=O)=O 95430929 FOKFWGAFLHJDCJ-UHFFFAOYSA-N 356.245 2.412 0 40 FEAB COC(=O)CC1CCN(C(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)CC1 95474304 FFSPHWPJXIZWIP-KRWDZBQOSA-N 374.485 2.112 0 40 FEAB CCOc1ccc(-c2nc3s/c(=C/c4cccnc4)c(=O)n3n2)cc1 95951219 YICBZZBJYXFTMY-XNTDXEJSSA-N 350.403 2.159 0 40 FEAB CCC(=O)N1CCC(N[C@@H](c2ccc(F)c(F)c2)c2ncon2)CC1 95988505 VAYCOKVTLHDQIQ-INIZCTEOSA-N 350.369 2.428 0 40 FEAB CCN1CCN(c2ccc(NC(=O)c3cccc(C(N)=O)c3)c(C)c2)CC1 23082946 MARWOFZZKMESIC-UHFFFAOYSA-N 366.465 2.488 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)C3)CC2)c1C 11666781 LPFZLCZOOJGIRD-KRWDZBQOSA-N 355.482 2.353 0 40 FEAB COc1ccc2c(c1)C[C@@H](C(=O)Nc1cnccc1-n1cccn1)CO2 505893202 MXGGTJXBJMNIRL-CQSZACIVSA-N 350.378 2.466 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 62602555 FQKUCGHZTHBEAG-SFHVURJKSA-N 374.462 2.277 0 40 FEAB Cc1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1F 78402697 KTDSWKKTKMMBEZ-UHFFFAOYSA-N 351.403 2.146 0 40 FEAB CCN(C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 79413308 NIUUJVJDAOCBOI-ROUUACIJSA-N 361.486 2.477 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)s1 225844444 LYUGHCQKRVITOL-SNVBAGLBSA-N 354.457 2.153 0 40 FEAB COc1ccccc1OCCNC(=O)Cn1sc2ccccc2c1=O 40287844 GPBQIOFIOHIPFO-UHFFFAOYSA-N 358.419 2.267 0 40 FEAB CN1C(=O)C[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1nccn1C 575337974 HYYFWFGVTPGVFC-QFBILLFUSA-N 352.438 2.005 0 40 FEAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036761 HNSMFSHAAZNZKR-KRWDZBQOSA-N 372.469 2.138 0 40 FEAB COc1ccc(O[C@H]2COCCN(C(=O)COc3ccccc3)C2)cc1 96113222 OUCNXMSDZNVBNT-LJQANCHMSA-N 357.406 2.380 0 40 FEAB biogenic,in-vitro C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccnc3ccccc23)CC1 332895261 YMATYTYMMVYAQL-DLBZAZTESA-N 368.481 2.041 0 40 FEAB O=C(COC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21)N1CCCC1 247729004 FLWRTANSVMFRPS-SFHVURJKSA-N 372.444 2.218 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2C)n1 257330286 XNRVVUHBKWCIBE-INIZCTEOSA-N 358.417 2.417 0 40 FEAB COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 253600019 AJJMPTKSJAYIBR-KRWDZBQOSA-N 369.469 2.282 0 40 FEAB CSc1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)nc1 585138622 PJENIHMCHBBDBB-INIZCTEOSA-N 369.454 2.440 0 40 FEAB O=C1NC(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2C(=O)O)S1 256027939 KRGSLOJNFVVBLC-BUYRESAOSA-N 371.418 2.253 0 40 FEAB CN1CCN(C(=O)c2ccncn2)C[C@@H](Cc2cccc3cccnc23)C1 257281867 ORHGOTRFCMURRS-INIZCTEOSA-N 361.449 2.271 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@H](CNC(=O)c3ccco3)CO2)C1 252011080 SBWINZJFWRZTIV-OAHLLOKOSA-N 359.426 2.295 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1ccccc1OC 257289163 PXGXHJDKJSREGA-APWZRJJASA-N 360.454 2.148 0 40 FEAB COc1ccc(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)nc1 636009455 LGMLEVHOVWZGKR-UHFFFAOYSA-N 356.304 2.059 0 40 FEAB COc1c(C)cnc(CN(C)C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)c1C 654638249 YAYPMNCUSAAFQS-CQSZACIVSA-N 374.445 2.018 0 40 FEAB C[C@H](NC(=O)N1CCn2c(O)nnc2C1)c1ccc(OC(F)(F)F)cc1 663574902 TXXFCDBVKKVTHN-VIFPVBQESA-N 371.319 2.169 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CCc4nc[nH]c4C3)[nH]nc21 668822765 AASLHAWRZYQESB-LBPRGKRZSA-N 361.409 2.430 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2nccn2c1 617587219 IXUUOHWPBHDNMC-KBXCAEBGSA-N 353.426 2.448 0 40 FEAB CCN(C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O)C1CCCCC1 585284569 LWCCKUSQMXBMAS-RBBKRZOGSA-N 374.525 2.208 0 40 FEAB COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=S)Nc1ccccc1 5215520 NNJKRZBHSBAUTK-ILXRZTDVSA-N 361.467 2.058 0 40 FEAB Cc1cnc(-c2nnc([C@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)o2)cn1 19239147 YMBQSCHABQMCIA-KBPBESRZSA-N 357.414 2.110 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)(C)CN1CCC[C@@H](C)C1 19578532 KGPLTCFNRLFXCY-CQSZACIVSA-N 372.517 2.300 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 19715930 XZKJFFUINFZVNY-UHFFFAOYSA-N 368.890 2.186 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(OC)c3)no2)C1 1362446 HKSAGEKKOQHWCI-CYBMUJFWSA-N 351.428 2.274 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 5938359 PCYRIXKZYWYVQF-QGZVFWFLSA-N 352.390 2.005 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888879391 JWOIXUQFWQIKJL-UHFFFAOYSA-N 353.831 2.362 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2cccc(F)c2)cn1 2056224941 HSQRBIAZHRODLH-ORAYPTAESA-N 355.369 2.473 0 40 FEAB COc1cc(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc(OC)c1OC 4941397 VTLIKJHISKMYMU-CYBMUJFWSA-N 351.399 2.128 0 40 FEAB Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(CC(C)C)cc1 9560722 GQKOOHZTMJZHQV-UHFFFAOYSA-N 361.427 2.138 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 16847358 CEKSSQOTSGXXPS-LJQANCHMSA-N 368.433 2.415 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@]12CCN(C(=O)c1cc[nH]n1)C2 2055772932 ZLDDMZWQTPRTEB-HXUWFJFHSA-N 362.437 2.004 0 40 FEAB Cc1cc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(=O)o1 218962846 QYFAQDHSSWZNKB-UHFFFAOYSA-N 371.389 2.289 0 40 FEAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2ccc(F)cc2)c[nH]1 225785445 PQGNMPODVICMHR-OAHLLOKOSA-N 352.369 2.191 0 40 FEAB Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)nc2nc(O)[nH]c(=O)c12 73935362 MDSDFWVYKWEJKY-UHFFFAOYSA-N 350.256 2.002 0 40 FEAB CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCc4ccccc43)cc21 6949146 DPOYREZZKZSBDA-UHFFFAOYSA-N 358.419 2.183 0 40 FEAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 249096740 MFRKEDVXPAXDLT-KKVAFCGZSA-N 372.469 2.396 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 30848714 SXPGXONTNSCWTO-GFCCVEGCSA-N 368.817 2.342 0 40 FEAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2C[C@H](C)O[C@H](C)C2)C1=O 102123335 QISJRZMHVINMGV-TYNCELHUSA-N 366.845 2.398 0 40 FEAB CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cn1 32914418 ZDZQXPVJESEXEJ-UHFFFAOYSA-N 366.443 2.070 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)OC 2108284 MGOAXPTZZCZRCU-WBMJQRKESA-N 352.431 2.133 0 40 FEAB biogenic COc1ccc(N2C[C@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2=O)cc1 3638918 HNMSMOIDLOHZBI-CQSZACIVSA-N 373.497 2.474 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1 791738 FVANZUCANNVJBX-QGZVFWFLSA-N 373.478 2.107 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6778956 TXASNOFEUHBENZ-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB Cn1nc2c(c1NC(=O)Cn1nc(-c3cccs3)ccc1=O)CSC2 61718159 RQIROQQAZDOSKI-UHFFFAOYSA-N 373.463 2.091 0 40 FEAB O=S(=O)(C[C@@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 106448069 YQSUDDTVYWTAAL-OAHLLOKOSA-N 372.918 2.260 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCC1=CCCCC1 24988268 KCHNUNDHQVRTCJ-UHFFFAOYSA-N 369.469 2.384 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccc(Cl)cc2C1 107334653 IHMAZBFTXPZQSB-GOEBONIOSA-N 372.856 2.466 0 40 FEAB Cc1cc(NC(=O)c2cnc3n(c2=O)CCS3)n(Cc2ccccc2)n1 44048692 SUKMYVHBCJAZFQ-UHFFFAOYSA-N 367.434 2.155 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969138 RQMURJQDHQACDU-GASCZTMLSA-N 352.442 2.320 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 101061854 WSEBHFKFUDUPGM-AUTURXRWSA-N 366.417 2.077 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1C 12773996 PEGOWMJKKCAXKY-UHFFFAOYSA-N 358.394 2.462 0 40 FEAB C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1Cl 10814286 BDIHMGXVPKKPNN-JTQLQIEISA-N 363.830 2.021 0 40 FEAB O=C(NC1CCN(Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 11101066 IXFXWZLPOOHLJS-UHFFFAOYSA-N 362.433 2.089 0 40 FEAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 12814280 GJPRCLNPCTVSFK-IBGZPJMESA-N 361.417 2.432 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)cc1 3447357 CSMSMZKVMKSBET-UHFFFAOYSA-N 359.411 2.170 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccsc2)N(C)C)C1 46214080 DDQVMVAHINQIDO-GDBMZVCRSA-N 351.516 2.362 0 40 FEAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2C[C@H](C)O[C@H](C)C2)C1=O 13145606 QISJRZMHVINMGV-ZOWXZIJZSA-N 366.845 2.398 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2N2CCOCC2)C1 64196966 YKFCBOOOKGUKKU-IYBDPMFKSA-N 360.454 2.185 0 40 FEAB Cc1nnc(SCc2nnnn2-c2ccc(Cl)c(Cl)c2)[nH]c1=O 13549739 LTAYMXUPNJKUFY-UHFFFAOYSA-N 370.225 2.048 0 40 FEAB Cc1ccc(OCCNC(=O)Cn2cnc3ccccc3c2=O)c(C)c1 14170229 MMJIDLNWXDBAMJ-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB O=C1NC(=O)C(CCc2ccncc2)(Cc2ccc(Cl)cc2)C(=O)N1 4575522 JOUIXTDKYAHWGI-UHFFFAOYSA-N 357.797 2.263 0 40 FEAB Cc1ccc(C)c(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)c1 6608449 BAVROGXHQHAXAM-UHFFFAOYSA-N 357.439 2.150 0 40 FEAB COc1cccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 29708661 BTYMTQMYRXOUES-UHFFFAOYSA-N 353.422 2.259 0 40 FEAB C[C@H](NC(=O)CSc1nc(N)cc(N)n1)C12CC3CC(CC(C3)C1)C2 4894094 KSIYQTPXTUXXOS-DJCSNXPJSA-N 361.515 2.454 0 40 FEAB Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cccc1C(=O)N1CCOCC1 67456150 RNYKOPCWQGRBBU-CVEARBPZSA-N 372.421 2.073 0 40 FEAB O=C1CN(C(=O)CCC(=O)N[C@@H]2C[C@H]2c2ccccc2)c2ccccc2N1 67504388 SBJMWMUFJWCYJX-DOTOQJQBSA-N 363.417 2.424 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=S)NCCc2ccccc2)c1 7527604 WQTZGAHEJDMBQS-UHFFFAOYSA-N 363.508 2.466 0 40 FEAB CCNC(=O)NC1(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCC1 69008284 KOMHYAQXOQIAND-UHFFFAOYSA-N 373.432 2.260 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 8261956 CSHMDBMQIVFXHH-KRWDZBQOSA-N 372.465 2.404 0 40 FEAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCCN2CCOCC2)cc1 17171366 DWDVJQZBVDTBEI-UHFFFAOYSA-N 363.458 2.486 0 40 FEAB Cc1noc(CCCC(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)n1 95424680 DMWMSUJFGYMGQL-UHFFFAOYSA-N 367.352 2.482 0 40 FEAB NC(=O)[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 95455914 BSIVKZKPBPSFAM-LJQANCHMSA-N 363.417 2.016 0 40 FEAB O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc(Cl)c1 95436044 TTWDJMSNJAYDIS-GDBMZVCRSA-N 355.843 2.103 0 40 FEAB CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 84801158 MHRUZQIRZXEJPS-OAHLLOKOSA-N 353.463 2.412 0 40 FEAB CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)O)n(CC)c2)cc1 95940689 RKCQTFORSHZYAG-UHFFFAOYSA-N 352.412 2.083 0 40 FEAB Cn1ccnc1[C@@H](O)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 89756783 XPVRHHJCHQCMGR-LPHOPBHVSA-N 362.518 2.395 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCC1 408611957 XNVFQGCZWSUAIO-UHFFFAOYSA-N 359.451 2.105 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC(C)C 408703293 QYNGMYCMNVGVOA-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB O=C(O)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1 548619703 GFJUZRDNEASFLU-UHFFFAOYSA-N 360.332 2.434 0 40 FEAB CCC[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30756692 OBQJIJOTYGMMHW-IINYFYTJSA-N 360.863 2.172 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)on1 36662698 MVDIOGQEMBJBLB-UHFFFAOYSA-N 356.367 2.412 0 40 FEAB CCN(C(=O)[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 72391812 YNYHNFQREAJGKN-IBGZPJMESA-N 363.477 2.142 0 40 FEAB Cc1c(C(=O)Nc2cnc(N(C)C)nc2)nnn1-c1cccc(Cl)c1 124906387 WFPKWSQJHKHECC-UHFFFAOYSA-N 357.805 2.337 0 40 FEAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217421008 DVGQEFXCXVFCRI-ZDUSSCGKSA-N 356.444 2.054 0 40 FEAB O=C(COc1ccccc1Cl)Nc1cccc(CN2C(=O)CNC2=O)c1 32818257 VQAXOMRPDCTKGE-UHFFFAOYSA-N 373.796 2.409 0 40 FEAB COCCNC(=S)Nc1nc(C)cc(N2CCc3ccccc3C2)n1 225899263 SNJIGSOBRWENKV-UHFFFAOYSA-N 357.483 2.281 0 40 FEAB COc1ccc([C@H](CC(=O)O)NC(=O)Cc2csc(C)n2)cc1OC 49547258 VPBNFGCUQDTGGA-ZDUSSCGKSA-N 364.423 2.343 0 40 FEAB COCC[C@@H]1COCCN1C(=O)c1ccc2c(c1)nc(C(F)F)n2C 332583446 JXXYACRLICDKKH-GFCCVEGCSA-N 353.369 2.388 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 96107361 WJNGRPYCBNPMRK-BEFAXECRSA-N 354.410 2.023 0 40 FEAB COC[C@H]1c2c(cnn2CC2CC2)CCN1C(=O)COc1ccccc1 96197876 KETWFBDRKRIVGO-SFHVURJKSA-N 355.438 2.444 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccn1)CO2 96221097 HSGISLIDWRINCP-HNNXBMFYSA-N 369.421 2.177 0 40 FEAB Cc1ccc(CN2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)s1 96207978 TUYSUBUUTAOGDS-QAPCUYQASA-N 352.500 2.285 0 40 FEAB CC(C)NC(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96241964 WHDSPBYPIVBXFZ-HNNXBMFYSA-N 364.511 2.382 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2ccnc(-c3ccc(C(=O)O)cc3)c2)C1 257274758 NMMUCTVZOVRZGJ-AWEZNQCLSA-N 360.435 2.271 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3nccn3C)CC2)C[C@@H]1Cc1ccccc1 257308961 TYXZUCGACLWNRV-KRWDZBQOSA-N 366.465 2.116 0 40 FEAB NC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 646076387 YPQVBNYAUDXASQ-UWJYYQICSA-N 365.433 2.462 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1c1ccccc1 653674881 ZKFHBCIYBRUFEV-NUJGCVRESA-N 355.365 2.456 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)Cc2cc(C)ccc2C)C1 1775957505 YDPYVYYYIZSBFI-SJORKVTESA-N 354.454 2.372 0 40 FEAB CC(C)Oc1cncc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c1 606444789 UOMSSPJSNVOURV-GWCFXTLKSA-N 368.377 2.209 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cnsn2)CC1 585149067 ZDIJPQMQTRLXHU-UHFFFAOYSA-N 358.345 2.399 0 40 FEAB C[C@@H]1CN(Cc2cccc(CNC(=O)NCc3ccccn3)c2)CCO1 65592149 IEHSQHSEZRVOQA-MRXNPFEDSA-N 354.454 2.302 0 40 FEAB Clc1cnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)nc1 1776009213 VXVJMIZKDYCCDH-UHFFFAOYSA-N 353.817 2.309 0 40 FEAB COc1nccnc1N(C)CC1CCN(c2nc3cccnc3n2C)CC1 1776009849 UIIVALNQJSPUIC-UHFFFAOYSA-N 367.457 2.120 0 40 FEAB CN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)c1cnccn1 72347364 DRQVPJANNQOIBO-KRWDZBQOSA-N 360.377 2.002 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 939321 PRDYXYYFNITLSD-NSHDSACASA-N 352.346 2.096 0 40 FEAB CCC1(N(C)C)CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 634121678 BSEDYISPUQYJLM-UHFFFAOYSA-N 362.449 2.302 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)Nc1nc2ccccc2[nH]1 5171114 ZSZZHBZIWRIZFW-UHFFFAOYSA-N 363.171 2.287 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 5239916 HFSKOCNNCCLJTO-AWEZNQCLSA-N 357.362 2.063 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145230 QXKWCKHQAWNXJX-GDBMZVCRSA-N 370.453 2.160 0 40 FEAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(O)cc2)C3)CC1 12184786 PYYZYLWFZZDBDD-UHFFFAOYSA-N 354.454 2.270 0 40 FEAB CCOCCCNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716540 CZINESNERWNLLD-QGZVFWFLSA-N 370.515 2.391 0 40 FEAB CN(C)c1nc2ccccc2cc1CN1C[C@@H]2CCCN2C[C@@H]1CCO 19584044 BNSCGDLQHLMMGT-OALUTQOASA-N 354.498 2.332 0 40 FEAB Cn1cc(C(=O)N2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCC[C@@H]32)cn1 19713452 FZQXFZUNDPRXFA-IKGGRYGDSA-N 356.401 2.184 0 40 FEAB Cn1c(=O)cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)[nH]c1=O 19666156 VXUDHERCFJKYSE-UHFFFAOYSA-N 355.325 2.257 0 40 FEAB O=C(N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1)C1(c2ccc(F)cc2)CC1 1888859997 KUOFFPHVOYKBPT-HUUCEWRRSA-N 352.413 2.242 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4c2cnn4C)C3)n1 1888904124 XMCIISJQVSPXCH-AUUYWEPGSA-N 365.441 2.147 0 40 FEAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCC1CC1 1851506113 IOALSBPLBXQTBD-UHFFFAOYSA-N 354.385 2.218 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCc2ccc(F)cc2)C1 4776335 WHOURFSYHKBHBU-LSDHHAIUSA-N 357.454 2.481 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)NCc3ccccc3OC)CC2=O)cc1 5191026 INLUGFSLVUMOAS-OAHLLOKOSA-N 369.421 2.309 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccsc1 8896246 UOYCPDPRXLSFHC-AWEZNQCLSA-N 368.480 2.101 0 40 FEAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1cccc(Cl)c1 10594666 PYVVJZOWPYIIDK-UHFFFAOYSA-N 355.851 2.310 0 40 FEAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCCCC4)C[C@H]3O2)cn1 2055730276 SXIGLJNHXXKXNT-DFQSSKMNSA-N 372.513 2.461 0 40 FEAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)COc1ccc(Cl)cc1Cl 225634359 VTSGVQKJVXDISU-PWSUYJOCSA-N 362.209 2.161 0 40 FEAB O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1c1ccccc1F 12116188 XWZIVGRXHAMHLL-KGLIPLIRSA-N 357.385 2.368 0 40 FEAB Cc1ccccc1OCC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 40090527 XGCZNYWSFYHOAV-CALCHBBNSA-N 374.481 2.248 0 40 FEAB CCOC(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 40013010 FOXQUTHNCXPZNS-SFHVURJKSA-N 359.470 2.370 0 40 FEAB CC(C)N(CCCNC(=O)c1cccc(C(F)(F)F)c1)S(C)(=O)=O 40108582 LMKWSGCKKJXQIR-UHFFFAOYSA-N 366.405 2.495 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)c1 51316398 USHHRNBSOJGXOW-UHFFFAOYSA-N 353.378 2.318 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 32399655 ZNKIZRMCFUEPMF-UHFFFAOYSA-N 372.490 2.268 0 40 FEAB O=C(NCCc1cccc(F)c1)c1sccc1S(=O)(=O)NC1CC1 32856116 RCJYBVSVCAXSDE-UHFFFAOYSA-N 368.455 2.300 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(c2ncnc3cc(Cl)ccc23)C1 32923712 AIHDIMZQAKONNU-LLVKDONJSA-N 354.863 2.049 0 40 FEAB Cc1cccc(OCCCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 32986163 VJYLIJCWZZJGGY-SFHVURJKSA-N 354.406 2.434 0 40 FEAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccccc1C(F)(F)F 32932935 RNAUDTPSIORPFN-UHFFFAOYSA-N 350.362 2.124 0 40 FEAB C[C@H](CNC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1 22012143 IVDMVSOCKHAMQE-GOSISDBHSA-N 352.482 2.119 0 40 FEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)C1 41629893 YSSXNBJEYVRQBQ-CHWSQXEVSA-N 372.462 2.047 0 40 FEAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 12293813 KLTXYBNUWAXXHC-GFCCVEGCSA-N 356.378 2.456 0 40 FEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CN(Cc2ccccc2)CCO1 78077412 UXXNZRPSAOGUMB-SFHVURJKSA-N 363.421 2.107 0 40 FEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N(C)C)nc1 22395039 QKYVMFXPWLZUHA-IBGZPJMESA-N 354.454 2.470 0 40 FEAB CN(C)CCn1cc(C(=O)N[C@H]2CCCn3ncnc32)c2ccccc21 79053926 FYSRITLJKLPPDD-INIZCTEOSA-N 352.442 2.059 0 40 FEAB Cc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)c(=O)n2C 6916734 HZUHAXOSOVYPPM-UHFFFAOYSA-N 351.406 2.117 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2C)cc1 8729491 WQKRYHLAQHZEAY-UHFFFAOYSA-N 362.407 2.233 0 40 FEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC(=O)NC1CCCCC1 34889791 BBLVVDADUVEZKT-UHFFFAOYSA-N 362.449 2.106 0 40 FEAB O=C(Cn1nc2c3ccc(Cl)cc3ncn2c1=O)N1CCCCCC1 57731322 MZRQVOJOKYSMTO-UHFFFAOYSA-N 359.817 2.100 0 40 FEAB CCc1cccc(CC)c1NC(=S)N[C@H](CC(=O)OC)C(=O)OC 12554461 ILSDMIGFFWRSBB-CYBMUJFWSA-N 352.456 2.203 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1C 57380809 BREHTMGAPFLRNE-KRWDZBQOSA-N 368.433 2.332 0 40 FEAB S=c1[nH]c(-c2cccs2)nn1CN1CCN(c2ncccn2)CC1 57389485 XQZUDHNVAWKKBW-UHFFFAOYSA-N 359.484 2.239 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1 57472111 VOWWDEUNKBKSCJ-UHFFFAOYSA-N 357.362 2.206 0 40 FEAB O=C(OCCN1C[C@@H]2CC[C@H](C1)O2)c1ccccc1OC[C@H]1CCCO1 108392575 AGLFVMNSDTYCQJ-IXDOHACOSA-N 361.438 2.264 0 40 FEAB COc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 10375272 SWWLEDHHMRHVIV-UHFFFAOYSA-N 374.462 2.278 0 40 FEAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 58382408 AZJAENJHWGXPHX-LLVKDONJSA-N 352.378 2.348 0 40 FEAB CC(=O)NCC1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)CC1 48302405 IGUFEFNAEWGRLH-IBGZPJMESA-N 373.497 2.124 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccncc1 3501612 QJODHOPACRBLDS-UHFFFAOYSA-N 362.459 2.076 0 40 FEAB COC(=O)c1cc(NC(=O)COc2cccc(F)c2)cc(C(=O)OC)c1 3611669 IKBRBTAPCUNUKG-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB COc1ccc([C@@H](CNC(=O)Nc2cccnc2)N2CCOCC2)cc1 24535593 PQICPFVCBZFPMY-GOSISDBHSA-N 356.426 2.285 0 40 FEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 8922873 JTOYEBXSZRBZJE-HZPDHXFCSA-N 373.453 2.302 0 40 FEAB COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)C(F)(F)F)C2 39293886 CDPHRJILIQIKLS-BNLOLNQZSA-N 369.339 2.309 0 40 FEAB C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 64723561 VSMBVKAUGMREGL-INIZCTEOSA-N 358.482 2.450 0 40 FEAB CCn1cc(C2=NO[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c(C)n1 5053503 PLPYKWTUAICFIO-QGZVFWFLSA-N 358.398 2.360 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)NCCc1cccs1 14128962 JEZQDEPEBJEHJH-UHFFFAOYSA-N 358.419 2.149 0 40 FEAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5680952 UZBSWTCXMOCKTH-GOSISDBHSA-N 373.434 2.083 0 40 FEAB C[C@H](CCCC(C)(C)O)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 15108526 PPEJNDSDFMADBH-CQSZACIVSA-N 368.499 2.421 0 40 FEAB CCS(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC1 4945015 WZFPYLPCOHBZHY-UHFFFAOYSA-N 356.469 2.089 0 40 FEAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1oc(C)cc(=O)c1O 96113893 OTSBGYIPCDCYHB-LLVKDONJSA-N 362.334 2.086 0 40 FEAB biogenic CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N[C@H](C)C2CC2)nc1 7121077 UCXAEFJGSJRIQG-GFCCVEGCSA-N 371.528 2.119 0 40 FEAB CCc1nc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)sc1C 96344716 YXDPFQPMPSXARU-CQSZACIVSA-N 372.450 2.483 0 40 FEAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 7974304 IWSLVSYLZULMAC-UHFFFAOYSA-N 367.496 2.084 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H]2C=CS(=O)(=O)C2)c(C)c1 16446857 QMLADOGOQZYONO-UONOGXRCSA-N 351.424 2.122 0 40 FEAB COC(=O)[C@@H]1COCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 72309455 GKMYAOLSAXMRBW-LBPRGKRZSA-N 371.315 2.129 0 40 FEAB C[C@@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)CC1(C)OCCO1 72305946 ZJPVWPUMSBLXKG-CYBMUJFWSA-N 362.430 2.127 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)CC2 95432747 JXUHKZCZKOSHGS-AOMYARPXSA-N 371.441 2.327 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC2CCCCCC2)cc1 20245689 QFFGPLUTGJTAEB-UHFFFAOYSA-N 353.488 2.382 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21)c1cnccn1 306137331 QTGUJAZWHIACIJ-KRWDZBQOSA-N 362.437 2.050 0 40 FEAB O=C(Cc1ccccc1F)NCCOc1ccc(-c2ccccn2)nn1 56908213 CHIOZIZDCJAQPL-UHFFFAOYSA-N 352.369 2.415 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409374926 BRBISIWUVKSVML-LSDHHAIUSA-N 368.499 2.319 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 36133952 IWPPXDPKAKQUOR-UHFFFAOYSA-N 368.802 2.473 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CC3)CC1)O2 72328059 GWQFLNDFURPMCY-LHSJRXKWSA-N 370.449 2.379 0 40 FEAB CC(=O)NCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72362717 HBRGLLZPXRTWTO-UHFFFAOYSA-N 372.400 2.250 0 40 FEAB Cn1ncc(C(=O)O)c1C(=O)N[C@H](CCN1CCCCC1)c1ccccc1 36617527 VMTNGXQHNCTXTM-QGZVFWFLSA-N 370.453 2.465 0 40 FEAB Cc1noc([C@H](C)N(C)C(=O)NCC2CCN(c3ccncc3)CC2)n1 574529662 YKOZJADTLALBEV-ZDUSSCGKSA-N 358.446 2.392 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)cc1OC 40159488 ICDQFFDWZPFRDZ-UHFFFAOYSA-N 357.410 2.144 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1OC 224803514 BMWZLHJRPFXFCW-UHFFFAOYSA-N 351.380 2.258 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCC[C@H](C)C1 223174856 SBHVJJFIJPQNRZ-AWEZNQCLSA-N 368.499 2.137 0 40 FEAB CC(=O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCO3)s1 225674252 YYBFQPIGAKFLPB-UHFFFAOYSA-N 351.449 2.407 0 40 FEAB O=C(c1cccc(F)c1)N1CCn2nnc(COc3cccnc3)c2C1 96256009 ASDNPJZGUYJRPI-UHFFFAOYSA-N 353.357 2.047 0 40 FEAB C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccncc2)cc1 578039623 FKZMOEQKOATHFB-OAHLLOKOSA-N 374.462 2.310 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181370 OTORJVSCRFKQBZ-PKOBYXMFSA-N 372.465 2.316 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccsc1)C2 96238096 NGWMYHAWZKTZOB-KRWDZBQOSA-N 361.492 2.373 0 40 FEAB COc1ncccc1CN1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C 253590630 CUYUDABFAWPSNM-AWEZNQCLSA-N 369.469 2.075 0 40 FEAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C2)c1 257210251 BTUJTPRFGHXQHB-OAHLLOKOSA-N 353.426 2.415 0 40 FEAB CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)ccn1 257259926 LARMPIKUNISHRQ-INIZCTEOSA-N 350.426 2.256 0 40 FEAB O=C(COc1ccccc1F)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 371245704 XZQKAFKKPUVCBD-SNVBAGLBSA-N 372.322 2.237 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 620728950 UNRCASLDHYYRTR-QZTJIDSGSA-N 354.454 2.426 0 40 FEAB NC(=O)C[C@]1(O)CCCN(c2nccc3cc(C(F)(F)F)ccc23)C1 643713448 URQAGVBQSWBRSV-MRXNPFEDSA-N 353.344 2.460 0 40 FEAB CCOc1c(Cl)cc(CN2CCC[C@@]2(COC)C(N)=O)cc1OC 643763306 ZDZIBQOELFIKAJ-QGZVFWFLSA-N 356.850 2.214 0 40 FEAB CCCS(=O)(=O)Nc1cc(NC(=O)C(C)(C)C(=O)O)c(F)cc1F 649461451 BDMWSLBFQJGMKT-UHFFFAOYSA-N 364.370 2.166 0 40 FEAB CCCO[C@H]1CCCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CC1 654636792 AOIOLCFSDFYSNT-UONOGXRCSA-N 351.451 2.147 0 40 FEAB O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CCC2(CC1)OCCO2 96122603 FDYOQRSNWUCFGT-OAHLLOKOSA-N 357.410 2.162 0 40 FEAB CCCn1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(C)cc3)C2)cn1 585277258 LMBQTRAZWKTOQA-HXUWFJFHSA-N 357.454 2.048 0 40 FEAB Cc1cccc(C2(NC(=O)c3coc(CN4CC[C@H](O)C4)n3)CCC2)c1 685941321 AFIZYTCMFXAICS-INIZCTEOSA-N 355.438 2.359 0 40 FEAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4CCCCCC4)nc3c12 12276440 HLCZWBVJBCGRAX-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nnc(-c2ccco2)s1 14182990 VCAIGDZIQLWSQO-GHMZBOCLSA-N 374.422 2.302 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSc2ccccc2)c1 15136536 PBUDPVDYTAYDRW-UHFFFAOYSA-N 364.492 2.459 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCC1 16187733 WCCZXXDEWHEIQW-UHFFFAOYSA-N 372.462 2.294 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCc2ccccn2)n1 19457505 MOXOBPIJUJUPSQ-LBPRGKRZSA-N 358.833 2.473 0 40 FEAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1cccc(F)c1 34863306 RLCUMZVYYGNJSC-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB O=C(COc1ccccc1)NCC(=O)N1CC=C(c2ccccc2)CC1 9909261 NNZHUYLBQSZJKJ-UHFFFAOYSA-N 350.418 2.498 0 40 FEAB O=C([C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCSCC1 1889096865 IGQBWVRAEPCCKD-NSHDSACASA-N 360.405 2.287 0 40 FEAB CC(C)N1C[C@H]2CN(C(=O)CCc3ccc(F)cc3)CC[C@@H]2OCC1=O 2037985586 OUZCRGBHRJEEIR-AEFFLSMTSA-N 362.445 2.243 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc3c(c1)OCO3)C(=O)C2 922383 IIKJBCGNWZMXPZ-FZKQIMNGSA-N 365.451 2.230 0 40 FEAB O=C(Nc1nnc(-c2ccco2)o1)c1cccc(N2C(=O)CCC2=O)c1 4264605 DJEDVDIHYVRYFQ-UHFFFAOYSA-N 352.306 2.235 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940740 YVPNVEZUQWKJOB-GFCCVEGCSA-N 374.418 2.257 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2C 13531784 SSWNTPCMRHSPPC-UHFFFAOYSA-N 364.818 2.151 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc21 15329090 DSHLDUHMWCBGTL-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB Cc1cccc(CN2CCO[C@]3(CCCN(C(=O)[C@H]4CCOC4)CC3)C2)n1 2055793216 APLFFVYOYVBMBC-RXVVDRJESA-N 373.497 2.010 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 2055814218 RXWFZNPSGLYHCK-CBGDNZLLSA-N 370.497 2.157 0 40 FEAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22458898 GYCNRLLRNNBFEY-OAHLLOKOSA-N 373.482 2.150 0 40 FEAB Cn1cc(-c2ncccc2CNS(=O)(=O)Cc2ccccc2F)cn1 585150082 ZRTOZSVBXTXRQM-UHFFFAOYSA-N 360.414 2.241 0 40 FEAB COc1ccc(CN2C(=O)CO[C@H](C(=O)O)[C@H]2c2ccccc2)c(OC)c1 824572952 ASUJTGUAYMWQRM-MOPGFXCFSA-N 371.389 2.257 0 40 FEAB COc1cc2c(cc1OC)/C(=C/c1ccccc1OCC(N)=O)C(=O)OC2 55104306 KAWFNIWESBRSAN-CHHVJCJISA-N 369.373 2.165 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCCOc3cccc(Cl)c3)cc2C1=O 40113482 HBDKWTNOCRZRKC-UHFFFAOYSA-N 358.781 2.375 0 40 FEAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 40135548 LYVRVGVNRSKZEP-BDAKNGLRSA-N 351.255 2.268 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCNC(=O)c1ccco1 31050780 SADDLFOISAHOCJ-KRWDZBQOSA-N 367.405 2.090 0 40 FEAB CC(=O)[C@H](NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C(C)C 31637684 SWMXPNNRWULUIV-CQSZACIVSA-N 370.236 2.433 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 8883664 CLMFEAKUKKECBH-UHFFFAOYSA-N 357.204 2.069 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cc2ccccc2[nH]c1=O 47048933 MOCBBNLTEYVJPR-INIZCTEOSA-N 364.401 2.369 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccn2)cc1 933992 BHXGPFPQQRFPLA-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1C 104340711 DFOAQAYQTDIBLH-GOSISDBHSA-N 351.406 2.006 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 37553562 OMDQZMLDERXUOG-HIFRSBDPSA-N 367.467 2.317 0 40 FEAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC(C)C)cc1 6880236 CYSPGAOMUMJSCE-UHFFFAOYSA-N 370.515 2.239 0 40 FEAB Cc1ccc(Cl)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 23641766 UAZFBRGPLDWTGO-UHFFFAOYSA-N 364.833 2.346 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 8570025 GWTWKJGMTNILML-BFHYXJOUSA-N 371.359 2.313 0 40 FEAB CCN1C[C@@H](CN(C)c2nn3c(=O)cc(C)nc3s2)Oc2ccccc21 24840426 RQCUGSKEBMXWCX-CYBMUJFWSA-N 371.466 2.183 0 40 FEAB COc1ccc(-c2noc(CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 100459013 DMUJLLVOGVXCLF-GASCZTMLSA-N 355.394 2.463 0 40 FEAB O=C(/C=C/c1ccc(I)o1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 108391270 GQBYMNKBDCYDIR-DNQCRWBCSA-N 373.190 2.127 0 40 FEAB CCc1cc(=O)n(CC(=O)NCCCOC)c(-c2cccc(Cl)c2)n1 57527494 LQWRQQGFEQZVQZ-UHFFFAOYSA-N 363.845 2.279 0 40 FEAB CCCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252959 OJGZXHDRMZJUEY-UHFFFAOYSA-N 372.487 2.410 0 40 FEAB CN(CCCNC(=O)Cc1n[nH]c(=O)c2ccccc12)Cc1ccccc1 12601722 ROIHBNUMAXLNBV-UHFFFAOYSA-N 364.449 2.104 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2Cc2ccc(OC)cc2)CC1 48280033 USZCPEDFWRDADD-GOSISDBHSA-N 374.481 2.114 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)NC[C@@H](O)c1cccc(F)c1 58203222 VGXPGQNOEJBJSM-OAHLLOKOSA-N 356.357 2.053 0 40 FEAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(C)[C@]31C(=O)N(C)c2ccccc21 8917076 HYGYPZQOQBPXJX-NRFANRHFSA-N 360.369 2.407 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 107224544 XYGRHSGZEDFHEY-GHTZIAJQSA-N 358.482 2.416 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 27823655 DGXCHUZPDLOAEP-UHFFFAOYSA-N 360.863 2.420 0 40 FEAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)on1 36393086 JBIGFOYCUMMJCV-UHFFFAOYSA-N 362.817 2.033 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 2339817 MYHNOUMKKMRGIM-UHFFFAOYSA-N 359.817 2.112 0 40 FEAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1nonc1C 2448210 WOJNQZBIECKFMP-UHFFFAOYSA-N 374.353 2.306 0 40 FEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H](c2ccccc2)C1 29825139 ROHIEGTYGUXPRU-ZWKOTPCHSA-N 352.438 2.293 0 40 FEAB COC[C@@H]1Nc2ncnc(Nc3cccc(Br)c3)c2NC1=O 2657410 PHUDYJTZRXVREW-JTQLQIEISA-N 364.203 2.362 0 40 FEAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 12891839 GIQOPEJMEHUOOK-OAHLLOKOSA-N 351.406 2.340 0 40 FEAB COC(=O)[C@@H](CSC1=NCCS1)NC(=O)OCc1ccccc1 4092055 XXRSTWDCUSUPCE-GFCCVEGCSA-N 354.453 2.290 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c(Cl)c1 5000083 LPHCKYHVAIIXFP-UHFFFAOYSA-N 357.797 2.301 0 40 FEAB Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3cccs3)C2=O)cn1 118083854 HJMOXNHIHONKQX-KBPBESRZSA-N 359.455 2.134 0 40 FEAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCO 6658662 MOOSRFLOPCPPSG-JTQLQIEISA-N 365.813 2.201 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)o1 6928304 TUKMXLCDOCVILE-UHFFFAOYSA-N 368.842 2.388 0 40 FEAB CNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3 9322592 SVLQXHDEJNVTEB-UHFFFAOYSA-N 365.484 2.090 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 7101262 TWMJOLQDLOCXJY-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)cc2)C1=O 15842818 SLSSOBYZDGMZQH-ZDUSSCGKSA-N 358.419 2.276 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 9499221 NYUNTTJDBRUQAI-INMHGKMJSA-N 357.454 2.329 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 7676009 ILPXLNIKYRXONX-NSHDSACASA-N 367.361 2.116 0 40 FEAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCOC1=O 7855511 QVQPRIHNTIXRHM-UHFFFAOYSA-N 364.452 2.336 0 40 FEAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(n2cncn2)CC1 70036572 GZNCIJRSRDOZPI-CYBMUJFWSA-N 365.445 2.187 0 40 FEAB COC(=O)c1cc(CNC(=O)Cc2sc(S)nc2C)ccc1OC 18069697 ZLMXYHKSGCYVMJ-UHFFFAOYSA-N 366.464 2.394 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)ccc21 8778203 KLLAFLATGBANEM-UHFFFAOYSA-N 371.462 2.344 0 40 FEAB CC[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1cc(C)on1 95946730 PIFCHBGCGDBZKH-GOSISDBHSA-N 372.469 2.322 0 40 FEAB CCN(C[C@@H](C)C(=O)O)C(=O)COc1cccc(NC(=O)c2ccco2)c1 95970623 QVKZCDLOUYULOP-CYBMUJFWSA-N 374.393 2.480 0 40 FEAB CCC[C@H](CC(=O)O)NC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 95989918 WRCKXZCNWWDUCJ-GFCCVEGCSA-N 353.375 2.026 0 40 FEAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1 23977143 BCHOPDDSWPFOFC-HNNXBMFYSA-N 370.471 2.239 0 40 FEAB CN1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1ccncn1)C2 306143310 XYIDPQYUWARYQT-QGZVFWFLSA-N 358.486 2.220 0 40 FEAB CC(C)CN1C[C@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1=O 515545666 VRSBKMDBBITIHQ-SECBINFHSA-N 357.336 2.461 0 40 FEAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217497859 YLJISRWUUWKOQD-AWEZNQCLSA-N 368.455 2.197 0 40 FEAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ncccn1 79477856 UKZYSSSSKFBISL-AWEZNQCLSA-N 355.427 2.437 0 40 FEAB C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@H]1[C@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@@]12C 35465113 LLKIVVHUJOPYIV-LVGWPTOZSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro CN(Cc1nnc2n1CCCCC2)C(=O)c1cc(-n2cccc2)ccn1 562237687 ZPYXROMAVLKAQN-UHFFFAOYSA-N 350.426 2.462 0 40 FEAB CC(C)[C@H]1N(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC12CCC2 563832120 ASUJULCVJGHUFG-QGZVFWFLSA-N 361.490 2.258 0 40 FEAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 49155340 CBUGSMCFFYCSBS-INIZCTEOSA-N 359.405 2.419 0 40 FEAB biogenic,in-vitro CCn1c(=O)oc2cc(S(=O)(=O)N(C)c3cccc(OC)c3)ccc21 223033454 GCQCZBOLJKRDDH-UHFFFAOYSA-N 362.407 2.448 0 40 FEAB COCCN1CCc2cc(C(=O)NCC3CC3)c(NCC(C)C)nc2CC1 96260537 PGTYIYSPBUQUGI-UHFFFAOYSA-N 374.529 2.336 0 40 FEAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 96043065 BVVCKDMAJRPAFL-RRQGHBQHSA-N 358.467 2.465 0 40 FEAB CN1C[C@H](N(C)C)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113503 ZUFLRAWCIAKUSH-RHSMWYFYSA-N 367.440 2.160 0 40 FEAB biogenic,in-vitro COCCN(C)c1cnn([C@H]2CCCN(Cc3cccs3)C2)c(=O)c1 583618076 AOWQGSQORBMKGU-HNNXBMFYSA-N 362.499 2.225 0 40 FEAB O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247870043 QGMSPTQVEPRWPU-AWEZNQCLSA-N 368.466 2.048 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 257295259 QXPWNWJDUWFCLB-INIZCTEOSA-N 350.378 2.253 0 40 FEAB CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257264687 LVQBNLJLRFLSJJ-IJEWVQPXSA-N 355.442 2.322 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(N)=O 257310080 UDPQQDKSADMSJI-OAHLLOKOSA-N 370.428 2.280 0 40 FEAB CCCCOc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257291916 QJFSHXAUCGTVRC-ICSRJNTNSA-N 362.470 2.420 0 40 FEAB Cc1cn(C)c([C@@H]2CN(C(=O)CCn3ncc4ccccc43)CCO2)n1 257254593 KDULDTYUXVLONF-KRWDZBQOSA-N 353.426 2.068 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 257212060 CBTFXPWLLFFLSX-QGZVFWFLSA-N 353.422 2.122 0 40 FEAB COc1ncc(NC(=O)Nc2ccc3c(c2)OCO3)c(N2CCCC2)n1 96121390 BRAZRDUBCOGRID-UHFFFAOYSA-N 357.370 2.458 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)n1 585275553 CRCIDZXSJSSMLH-FQEVSTJZSA-N 357.454 2.323 0 40 FEAB CC(C)N1C(=O)c2ccc(C(=O)NOCc3ccccc3)cc2S1(=O)=O 48678913 QWUVSWGEXULPLS-UHFFFAOYSA-N 374.418 2.101 0 40 FEAB O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(-c2ccccc2)cc1 89851175 ODMGKMYTIQVYQB-LJQANCHMSA-N 372.490 2.495 0 40 FEAB Cc1nc(CN2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)no1 1775975754 NFCCXNYYDARVQW-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594883 DGPPFOXJNVXHDH-FVQBIDKESA-N 372.481 2.477 0 40 FEAB COc1cccc(CNC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2ccco2)C3)c1 12114491 RJWGNSIQYUNLCM-QRTHJKPMSA-N 370.449 2.419 0 40 FEAB Cn1nccc1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1 13265352 SGDSEVBUUIDPHM-UHFFFAOYSA-N 352.423 2.164 0 40 FEAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581269 VYDJMKJJTJBHPK-GFCCVEGCSA-N 360.451 2.150 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(CC3CCCCC3)C2)c2nccnc21 19021554 YLWYUPQXKNOOEZ-KRWDZBQOSA-N 370.501 2.332 0 40 FEAB CC(C)c1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 19454126 FCUXHFZYDBMUDS-QHAWAJNXSA-N 366.509 2.462 0 40 FEAB C[C@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 19457894 VKJRNOFFDNXVFU-MRXNPFEDSA-N 357.458 2.418 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(F)c(Cl)c1 206727097 LHFZCTQWWHGQOF-UHFFFAOYSA-N 365.796 2.427 0 40 FEAB CCn1cc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c(C)n1 12362664 SDQGIHUSDPZFJN-UHFFFAOYSA-N 363.483 2.238 0 40 FEAB C/C=C/C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 15694060 QQHQGJLGBGEDEJ-CDAZIORVSA-N 356.300 2.498 0 40 FEAB CCn1nccc1C(=O)N1CCC[C@]2(CCCN(Cc3ccnn3C)C2)C1 2056223993 LDYKSLPQGNCNQI-FQEVSTJZSA-N 370.501 2.155 0 40 FEAB O=C([C@@H]1CCOC1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1614940175 GMHXTQOMFBKJGS-OAHLLOKOSA-N 353.422 2.205 0 40 FEAB O=C([C@H]1CN(c2nc3ccc(F)cc3o2)CCO1)N1CCC(F)(F)CC1 2086968244 QHTQAFKJHUARCK-CQSZACIVSA-N 369.343 2.430 0 40 FEAB Cn1nc(CNC(=O)C2(F)CC2)c2cc(C(=O)NC3CCC3)sc21 1565547414 RBWMIGLSJXLNDS-UHFFFAOYSA-N 350.419 2.035 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3n2)cc1 4248509 LUSGBHZJXGQEFU-UHFFFAOYSA-N 372.450 2.122 0 40 FEAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 5241986 HDCLQOCGBUSSJL-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(C)c1 101113662 SJBAYMDJFNCAFH-OQKWZONESA-N 352.394 2.417 0 40 FEAB CCc1nc(-c2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)no1 44094665 ASBTVXILYSUFOW-UHFFFAOYSA-N 353.382 2.249 0 40 FEAB O=C(CSCc1ccccc1)NCCn1ccnc1-c1cnccn1 575609450 LLUQLDCOXVDZBO-UHFFFAOYSA-N 353.451 2.390 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)C1c2ccccc2Oc2ccccc21 40068173 HGYMTISDNMSSEN-UHFFFAOYSA-N 366.417 2.289 0 40 FEAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1 20150022 FHHOEWXRJBZFSB-UHFFFAOYSA-N 365.817 2.269 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 102147989 VPTZNCSWPYBZEA-CWRNSKLLSA-N 351.443 2.158 0 40 FEAB Cc1cc(=O)c(C(=O)NCCCOCC(C)C)nn1-c1ccccc1F 52399897 IOTHMPAFZGQJJH-UHFFFAOYSA-N 361.417 2.473 0 40 FEAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NOCc1ccccc1 77688020 WTOJOYHBRCGIEQ-KRWDZBQOSA-N 355.373 2.152 0 40 FEAB COc1ccc(CCc2nc(NC(=O)c3c(C)noc3C)n[nH]2)cc1OC 79489471 AIMZJHZHJYWOOV-UHFFFAOYSA-N 371.397 2.464 0 40 FEAB Cc1cc(C(=O)NCC(=O)NC2[C@H]3CCC[C@H]2CN(C2CC2)C3)c(C)o1 103735591 XJFWHHXBDOKWKD-GJZGRUSLSA-N 359.470 2.005 0 40 FEAB CN(Cc1cccs1)C(=O)COC(=O)Cc1ccc2c(c1)OCCO2 22826504 VQHPLDJJCIDXQM-UHFFFAOYSA-N 361.419 2.264 0 40 FEAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1nc(C2CC2)no1 47507716 HMZNSOVXDCIWLP-UHFFFAOYSA-N 357.414 2.414 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC1 6725928 JCXUZJYVQWEMRD-NEPXVJNWSA-N 356.466 2.386 0 40 FEAB COc1ccc(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 10366327 AMUVZMGVKINNGU-LLVKDONJSA-N 362.879 2.275 0 40 FEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nnsc1Cl 24213438 XRAGKQMYJCWBFJ-UHFFFAOYSA-N 368.846 2.423 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CCN(CCc2ccccn2)CC1 12543143 OPDCZXUEFFTBGO-UHFFFAOYSA-N 365.886 2.284 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 12542603 YTKPTVXJCTUIDB-MRXNPFEDSA-N 365.433 2.149 0 40 FEAB O=C(COCCOc1ccccc1)N1CCC(c2nnc3n2CCC3)CC1 57146117 NWXJYORHAQFONY-UHFFFAOYSA-N 370.453 2.026 0 40 FEAB COc1cccc2c1OC[C@@H](NC(=O)Nc1cnn(CC(F)F)c1)C2 72549860 YHVNGVJARIZEFO-NSHDSACASA-N 352.341 2.282 0 40 FEAB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102251390 SVDIYMRERLQLJQ-FJIDUMEYSA-N 352.390 2.489 0 40 FEAB Cn1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)c(=O)n(C)c1=O 58201025 KJPHMWVRLYKSCA-VAWYXSNFSA-N 369.421 2.057 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccsc1C(=O)OC 2150047 GOILRTDZZMUPNT-UHFFFAOYSA-N 361.422 2.184 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc(F)c(F)c1)CS2 3366877 PQGSSDAVBVQKGN-BLLLJJGKSA-N 355.362 2.145 0 40 FEAB CC(=O)Nc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1C 48332992 NRBRJUQAGNWGNX-UHFFFAOYSA-N 365.393 2.087 0 40 FEAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 48332406 OBYBQSSCYQJHTH-HOTGVXAUSA-N 368.481 2.188 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102593080 UKPDNAJAMSQXGW-UJARPBSLSA-N 350.418 2.295 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25319856 YLBUZXPBRKAJGS-CABCVRRESA-N 370.405 2.088 0 40 FEAB COc1ccc(CN(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC 36395624 LZFPXERAYWDPMJ-QGZVFWFLSA-N 368.433 2.463 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)COc1c(CO)cc(F)cc1CO 12897888 YAHSSCRVUJTMPD-LBPRGKRZSA-N 363.385 2.075 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20044256 NOQJVUVHBXRDNW-MRXNPFEDSA-N 364.511 2.487 0 40 FEAB O=C(O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 45795998 ZZVGLQZLGOGXIQ-OAHLLOKOSA-N 364.405 2.141 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3S(C)(=O)=O)cc2NC1=O 29994005 LEMDHTONJJESPT-JTQLQIEISA-N 360.391 2.062 0 40 FEAB Cc1cc(C)cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 12992798 RTVPKNLHDIBTQH-UHFFFAOYSA-N 370.453 2.103 0 40 FEAB Cc1cc(C)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)c(Cl)c1 12993293 DEVXNXBVYCUTOA-UHFFFAOYSA-N 359.817 2.429 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 3636500 MTDHAZRDRLQDPB-BONVTDFDSA-N 374.418 2.434 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(OC)cc2)NC(=O)N[C@H]1CC 13075252 QHTJWSKIBJQYOV-HNNXBMFYSA-N 361.442 2.036 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)o1 8734463 RIOHYWRMLIAZNV-QMMMGPOBSA-N 370.818 2.238 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCSCC2)c1)[C@H]1CC=CC[C@H]1C(=O)O 64611642 CSWTYMKTCGEGDW-JKSUJKDBSA-N 374.462 2.481 0 40 FEAB CCn1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C(C)C)c(C)n1 13733057 PMEQFRHDYFMEDG-AEFFLSMTSA-N 363.483 2.269 0 40 FEAB COc1ccccc1NC(=O)COC(=O)CCC(=O)NC1CCCCC1 408646593 PXZXOKNDPYHPEI-UHFFFAOYSA-N 362.426 2.406 0 40 FEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cnc(C)cn1 14093919 HDYGVYNEXMYYPE-UHFFFAOYSA-N 359.411 2.185 0 40 FEAB Cc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1-n1cnnn1 65548120 OKBMEUVILANKMP-OAHLLOKOSA-N 357.462 2.213 0 40 FEAB CCNC(=O)CN(CC)C(=O)c1cccc(OCc2c(C)noc2C)c1 14180387 IFRXWUOPUVCTHU-UHFFFAOYSA-N 359.426 2.469 0 40 FEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 14239274 YNWRGLWFGCQWPN-HXUWFJFHSA-N 368.433 2.415 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C4CCC4)C[C@H]2C3)cc1 306143306 XYEXSBJTGNHNMF-KGLIPLIRSA-N 367.453 2.196 0 40 FEAB Cc1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]c2c1C(=O)CCC2 9254638 PJBTULKJDLQQBU-UHFFFAOYSA-N 365.433 2.440 0 40 FEAB CC[C@@H](C)n1c(SCC(=O)N2CCNC2=O)nc2ccccc2c1=O 4949017 SVHIZZWNJCJDNL-LLVKDONJSA-N 360.439 2.011 0 40 FEAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051199 WEVLYMROTSFNNL-UHFFFAOYSA-N 357.428 2.050 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)o1 8245434 PIVIISXHAYSUSA-GFCCVEGCSA-N 361.423 2.338 0 40 FEAB CC(C)[C@H](OC(=O)c1ccnn1C)C(=O)N[C@@H]1CCOc2ccccc21 95385640 YGGRYGJOXJHZRV-PBHICJAKSA-N 357.410 2.242 0 40 FEAB Cc1cc(=O)c(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccccc1 72276998 GCLQXOUITAQFKL-UHFFFAOYSA-N 355.394 2.058 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O 20013283 ZTZHNLAVAAGWDN-CQSZACIVSA-N 368.499 2.467 0 40 FEAB O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc2c(c1)OCO2)[C@@H]1CCCO1 27698365 VWIYGQBHSMAOHH-MMNRESRNSA-N 358.438 2.206 0 40 FEAB C[C@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 72348166 KJIXZEHJTYWXJD-PTIUUAQKSA-N 360.502 2.216 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCc1nc2ccccc2s1 39995555 FFWZMHUKKOCIBS-UHFFFAOYSA-N 350.403 2.323 0 40 FEAB COCCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2cnccn2)n1 72383918 MWLSMHMEUXWUIQ-AWEZNQCLSA-N 356.430 2.409 0 40 FEAB COc1cccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(C)cc2)c1 225163007 GJDVKIGQNJKIGU-QGZVFWFLSA-N 363.435 2.320 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 223347318 SIIOBNLTYJRDEO-QGZVFWFLSA-N 360.435 2.460 0 40 FEAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccc(C)n1)CC2 96208410 JWLVVUXGOXKGBL-LJQANCHMSA-N 357.498 2.487 0 40 FEAB CCOC(=O)c1cc(Cl)nc2[nH]nc(I)c12 145689269 FPQNCYWDROEYNT-UHFFFAOYSA-N 351.531 2.393 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1 534317228 OUXORPOMRVHTLY-UHFFFAOYSA-N 371.418 2.404 0 40 FEAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)C1CC=CC1 583027600 VJWGBFZSORKOOV-CYBMUJFWSA-N 354.200 2.364 0 40 FEAB O=S(=O)(c1ccccc1)N1CCc2ncnc(NC3CCC3)c2CC1 96255775 LNLYINDCBWXBOP-UHFFFAOYSA-N 358.467 2.231 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107478 LRDRBRFCBFBLDI-WMZOPIPTSA-N 351.468 2.425 0 40 FEAB CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3ccsc3)CC2)CO1 96105947 CYBPIWSWNBVWCR-MRXNPFEDSA-N 352.500 2.224 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 96052360 XTNFVQYXNLFNER-IEBWSBKVSA-N 366.527 2.139 0 40 FEAB COc1ccc(CN2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)cc1 96054157 JLTMKHICYVSCSX-IAGOWNOFSA-N 352.438 2.079 0 40 FEAB Cn1cc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cn1 96116796 CUMRILQDLRMOIB-CYBMUJFWSA-N 365.484 2.165 0 40 FEAB N[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515076 GXEMQMLSSZDCQK-BZUAXINKSA-N 351.811 2.336 0 40 FEAB CO[C@H]1CCN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)C[C@@]12CCCO2 257216896 CWOSQNOEKMFAJG-ICSRJNTNSA-N 372.469 2.090 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@@H](Cc3nccnc3N(C)C)C2)cs1 257335924 YMLPLSQGOCRROW-AWEZNQCLSA-N 359.499 2.331 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 252515939 OVMFRLTZNCIPHT-HSALFYBXSA-N 359.491 2.435 0 40 FEAB COc1ccccc1C=c1sc2nc(-c3ccccc3OC)nn2c1=O 254345074 VFOWTBWNNOVCPH-UHFFFAOYSA-N 365.414 2.383 0 40 FEAB COc1cc(C)ccc1NC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 652385798 PTUGOIFGLVDTOS-KRWDZBQOSA-N 352.456 2.436 0 40 FEAB COc1ccc(C[C@H](C)CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc1OC 664551471 TUBNVVZQCWSQHU-LRDDRELGSA-N 372.412 2.294 0 40 FEAB O=C(NCCn1cc(-c2ccccc2)nn1)c1cc(C(F)(F)F)n[nH]1 1181338202 CJFBYXUPNABVQH-UHFFFAOYSA-N 350.304 2.117 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390827445 XVQZMABUSKGTAC-HXUWFJFHSA-N 372.421 2.231 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 585104647 KDDAOCCWXFNHAA-KRWDZBQOSA-N 368.499 2.209 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](O)C2)C3)c1 585105140 ZEHCNKDCUHXQEF-WOJBJXKFSA-N 372.509 2.463 0 40 FEAB O[C@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@H](O2)[C@@H]1n1ccnc1 952844995 XUWFHTIYVJOKGG-DGXTUMSLSA-N 370.236 2.005 0 40 FEAB biogenic,in-vitro c1ccc(-c2cc(N3CCN([C@@H]4CCSC4)CC3)n3ncnc3n2)cc1 75110526 MYNVDGABUQYTIN-MRXNPFEDSA-N 366.494 2.419 0 40 FEAB CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 106894851 NYVCZKDKSIMWKE-AWEZNQCLSA-N 366.487 2.247 0 40 FEAB Cc1cc(C(=O)N2CCN(Cc3cnc(C(C)(C)C)nc3)[C@H](C)C2)n[nH]1 514654888 JLBUSVDFCBFWHT-CQSZACIVSA-N 356.474 2.152 0 40 FEAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 12222017 OECQDHMKXWXLDV-AWEZNQCLSA-N 354.410 2.240 0 40 FEAB Cc1ncsc1C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1 12222937 PMIGVGCHRMWBHL-UHFFFAOYSA-N 365.480 2.270 0 40 FEAB CCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2)nc1O 13407907 RPSWICHQELXSNF-UHFFFAOYSA-N 364.427 2.344 0 40 FEAB Cc1ccn(C[C@H](C)C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19237902 VCMLHDDDQORFBA-DZGCQCFKSA-N 365.437 2.080 0 40 FEAB O=C(c1ccncc1)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19340348 IHASGPWEJPQYCC-UHFFFAOYSA-N 361.405 2.247 0 40 FEAB Cc1occc1C(=O)OCC(=O)N[C@H](c1ccccc1)c1nccn1C 10376206 GHCMZQTYYTVISN-QGZVFWFLSA-N 353.378 2.384 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)c1C 5212089 XZNLGQJKRZZAKN-CYBMUJFWSA-N 350.415 2.222 0 40 FEAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(S(=O)(=O)C(C)C)C2)c1F 1888856590 CSYLIPZJTHXXSC-CYBMUJFWSA-N 358.483 2.378 0 40 FEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3cscn3)C2)n1 1888897086 UKOAKTGOBBBSKF-UHFFFAOYSA-N 368.418 2.073 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)n1 1888906607 GEUZHVSXIWDGDS-FZKQIMNGSA-N 351.414 2.137 0 40 FEAB Cc1cn2nc(N3CCN(c4nc5cnccc5s4)CC3)ccc2n1 1888914363 VCQQGTJXXIRGOG-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 10619263 BCXLMFAQXKCTBG-UHFFFAOYSA-N 361.419 2.417 0 40 FEAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccccc1F 11746371 URFLQKQVMWWZEB-UHFFFAOYSA-N 352.369 2.265 0 40 FEAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)/C=C/c2cccs2)CC1 2055772281 QLRSMZNYTRNUTH-VOTSOKGWSA-N 358.467 2.064 0 40 FEAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2ncc(Br)cn2)C1 2086860535 XNAFTGLUSWANGV-CQSZACIVSA-N 366.194 2.191 0 40 FEAB NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 1510351 SZVWTWFATPZANS-UHFFFAOYSA-N 351.384 2.335 0 40 FEAB COC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10400102 YVPPGQDWHMJOFC-LBPRGKRZSA-N 358.485 2.300 0 40 FEAB COc1ccccc1CNC(=O)NCCNC(=O)c1ccc(C)c(F)c1 31034192 KHKDHOMBNYPIAF-UHFFFAOYSA-N 359.401 2.372 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2)c1 101680680 UURGZRGMLCCRKB-ZOBUZTSGSA-N 365.433 2.247 0 40 FEAB CCCCCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 102793318 USPWWVIFHOTFCA-RYUDHWBXSA-N 364.471 2.385 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 102821308 GTNHYDAQRJIDEF-WZGNDQMWSA-N 368.477 2.302 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102951745 MMGZUKAPDJZPQD-BETUJISGSA-N 360.458 2.221 0 40 FEAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(C)cc3)cc2c1 1366736 UMSYMHCBVWYZIV-UHFFFAOYSA-N 366.417 2.480 0 40 FEAB Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(=O)n(-c2ccccc2)n1C 6742599 URXLWLQJDLUYMP-VRKREXBASA-N 369.421 2.170 0 40 FEAB COc1ccc(C(=O)N2CCC(NCc3cccnc3)CC2)c(OC)c1 47609843 NLWGGJCPRLIKQI-UHFFFAOYSA-N 355.438 2.493 0 40 FEAB Cc1nc(CN2CCN(Cc3nc(-c4ccc(C)c(F)c4)no3)CC2)no1 95959663 YZDKAVAKGOWIHF-UHFFFAOYSA-N 372.404 2.193 0 40 FEAB Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 8036317 FIGPKIFVPKGYHB-MRXNPFEDSA-N 374.462 2.345 0 40 FEAB COCCn1c(C)cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1C 8485709 PHBJSARRLBZSCN-UHFFFAOYSA-N 357.385 2.483 0 40 FEAB COc1cc2ncn(CC(=O)N3CCc4ccccc43)c(=O)c2cc1OC 12581282 GDKGVSHOQFYNTN-UHFFFAOYSA-N 365.389 2.003 0 40 FEAB COC(=O)c1ccc2c(=O)n(CCSCc3ccccc3)c(=O)[nH]c2c1 24945171 LLFSECJNJAZNCF-UHFFFAOYSA-N 370.430 2.410 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3nc(-c4ccccc4)c(C)c3n2)CC1=O 100775829 APGKGOIMURUKER-HNNXBMFYSA-N 366.421 2.373 0 40 FEAB Cc1nn(C)c2sc(C(=O)NCc3cccnc3-n3cccn3)cc12 24590383 XEIGDHSSOUQEQQ-UHFFFAOYSA-N 352.423 2.454 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)COc2ccccc2F)c1 3240248 JVQOWQLOWUJCBT-UHFFFAOYSA-N 363.341 2.404 0 40 FEAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 12608036 CERNJTFMILYPQR-UHFFFAOYSA-N 350.344 2.387 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2ccc(C=O)cc2)cc1OC 3254668 MKKYZFKFUUYMKY-UHFFFAOYSA-N 371.389 2.032 0 40 FEAB COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 1914633 HGFVOACMWUAOQN-HNNXBMFYSA-N 356.382 2.305 0 40 FEAB C[C@H](c1cccs1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27164990 UGDYVVMBWHCYFR-GFCCVEGCSA-N 357.435 2.361 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCC2CC2)c1 58006356 IDTTUAJSVMTAQX-UHFFFAOYSA-N 374.890 2.137 0 40 FEAB CCCCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 58174668 OTFKXBKHBNMGFM-UHFFFAOYSA-N 359.426 2.430 0 40 FEAB Cc1nnc(NC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)s1 58198304 CXXJSCURISGULD-GFCCVEGCSA-N 361.471 2.389 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)Nc1ccccc1Cn1cccn1 48252477 GSATYSYEAQXEAF-UHFFFAOYSA-N 374.408 2.229 0 40 FEAB CCOc1cccc([C@H](C)NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 58277547 WBIJDAGAMGEXLD-SWLSCSKDSA-N 357.497 2.183 0 40 FEAB CN(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccn1 58202047 JPPZUBJSSAMQDL-UHFFFAOYSA-N 374.242 2.488 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)O)CC3)c12 2122314 HEBSLKYYHMZVRZ-UHFFFAOYSA-N 373.405 2.366 0 40 FEAB biogenic Cc1noc(C)c1N(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 72306746 LIZZXFNEFQWWFN-SNVBAGLBSA-N 363.439 2.279 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1 52410640 JROJXXIPBKDHPP-UHFFFAOYSA-N 367.471 2.115 0 40 FEAB O=C(C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c[nH]c2ccccc12 100833848 BDYVZZSVZPMXQS-ZIAGYGMSSA-N 361.401 2.158 0 40 FEAB Cc1cc(N2CCN(C)CC2)nc(SC[C@H]2COc3ccccc3O2)n1 3307085 CZCDTZINMVWBGJ-OAHLLOKOSA-N 372.494 2.469 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)COC)sc2c1CC[C@H](C)C2 3322188 IPPNTCYNRVRFFQ-JTQLQIEISA-N 369.439 2.178 0 40 FEAB COc1ccc(-c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1OC 2394461 HDKJCWKLECIUJB-YBEGLDIGSA-N 365.414 2.383 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 29165177 VAJXEUYBQPNVDO-UHFFFAOYSA-N 362.407 2.358 0 40 FEAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccc(Cl)cc1Cl 20635211 KXCKRNXGOMDSCK-ZJUUUORDSA-N 363.222 2.007 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 12823128 MSXSFBBEZYXBBX-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 12989516 HXKMZRDIPWHYOC-UHFFFAOYSA-N 367.449 2.407 0 40 FEAB COc1cc2c(cc1NC(=O)C(=O)N1CCN(C)CC1)oc1ccccc12 13629098 MLBGGPXMGZHWLO-UHFFFAOYSA-N 367.405 2.307 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2cccc(C)c2)cc1 4499983 PDZMFKSEMWZVSQ-UHFFFAOYSA-N 371.422 2.475 0 40 FEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 14094427 XOYMZMGAGGHGHX-CYBMUJFWSA-N 356.378 2.346 0 40 FEAB CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 4551452 OVNTVUULRGNSDT-UHFFFAOYSA-N 364.405 2.034 0 40 FEAB COc1ccc(C(=O)NC2CCC(C)CC2)cc1S(=O)(=O)N(C)OC 14230214 QBNSTZZYONOSCR-UHFFFAOYSA-N 370.471 2.186 0 40 FEAB O=S(=O)(c1ccc(SCc2ccccc2)nc1)N1CCOCC1 5689077 KRUZZCBJBRNLGB-UHFFFAOYSA-N 350.465 2.395 0 40 FEAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1 14754271 ANCBDXWMRLANLW-UHFFFAOYSA-N 351.362 2.318 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)COc1ccc(C(C)=O)cc1 7096468 FXNZOEKKAHVYAB-UHFFFAOYSA-N 374.462 2.494 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1c(C)nn(-c3ccccn3)c1C)CC(=O)O2 95474739 SUTLTVXGIRBFAM-ZDUSSCGKSA-N 350.378 2.322 0 40 FEAB CCCCc1ccc([C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)C)cc1 16107680 WLFXCYMJJKEGGF-IBGZPJMESA-N 357.454 2.393 0 40 FEAB O=C(c1ccco1)N1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 16336361 SIIWQKGSFPOYHP-HNNXBMFYSA-N 373.478 2.463 0 40 FEAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)C1CC1 9596733 VPCLPERSYQYJNF-NSHDSACASA-N 359.455 2.074 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccncc2)cc1 8704517 LNWPSIZNTSELQU-UHFFFAOYSA-N 368.422 2.193 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1nnc2ccccn12 9690047 DLHZMMIOCITEMP-UHFFFAOYSA-N 372.812 2.055 0 40 FEAB Cc1ccc(N[C@H](C)C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCC1 9646996 MLKBTMPBIVQLFR-OAHLLOKOSA-N 367.515 2.495 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)cc1 524732656 UASWDSRMKMQRTN-HNNXBMFYSA-N 356.411 2.311 0 40 FEAB O=C(Nc1cccc2c(O)nccc12)[C@@H]1COCCN1CC(F)(F)F 556676222 NTBJJULNACFYSU-ZDUSSCGKSA-N 355.316 2.142 0 40 FEAB COC(=O)[C@H](CCSC)NC(=O)Cn1cc(C(C)=O)c2ccccc21 32124246 KCDCVNMIRYUPFM-HNNXBMFYSA-N 362.451 2.255 0 40 FEAB biogenic O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC1CCCC1 217631144 GMBCHRWAPKTXPG-CYBMUJFWSA-N 368.455 2.197 0 40 FEAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nnc3n2CCN(C)C3)cc1C 72373931 FSOHSIKEACFVGA-KRWDZBQOSA-N 353.470 2.247 0 40 FEAB CCN(CC(=O)N[C@H](C)COC)S(=O)(=O)c1ccc2ccccc2c1 39985994 MNARNTCOYCCUAW-CQSZACIVSA-N 364.467 2.002 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)NCC3(c4ccccc4)CCC3)cc2[nH]1 32869608 HKZZXEGMNODTKO-UHFFFAOYSA-N 357.435 2.256 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(CC)cc2)s1 225811691 BGVDHVWJBCPTET-JTQLQIEISA-N 368.484 2.489 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2)cc1OC 224792607 XNLYCTOKBLNBHE-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB CN(c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1)S(C)(=O)=O 46057993 RJTKKGJCHWDKQC-ZDUSSCGKSA-N 368.480 2.206 0 40 FEAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)OCCO2 47218769 JFOWAGOPCZEXAN-UHFFFAOYSA-N 368.433 2.220 0 40 FEAB O=C(CCc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 96245493 GWIQLGCTBPQKSN-HOTGVXAUSA-N 355.463 2.306 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181369 OTORJVSCRFKQBZ-IEBWSBKVSA-N 372.465 2.316 0 40 FEAB Cc1nc(CN2CC[C@@]3(CCCN(C(=O)c4ccc[nH]4)C3)C2=O)cs1 96224403 IWJULXXHIRYFAP-GOSISDBHSA-N 358.467 2.435 0 40 FEAB CC(C)(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)s1 333714691 GZXNRASZDCVFGK-AAEUAGOBSA-N 357.497 2.074 0 40 FEAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239088 VPYMGQUXIDEUTE-LJQANCHMSA-N 359.426 2.005 0 40 FEAB Cc1cc(C)cc(CN2C[C@@H]3OCCN(c4ccnc(N(C)C)n4)[C@@H]3C2)c1 96248873 HIFTUFZMBOSJAA-MOPGFXCFSA-N 367.497 2.249 0 40 FEAB Cn1cc(-c2nc3c(c(NC4CC4)n2)CN(Cc2ccncc2)CC3)cn1 96254206 AIXCGYAQALIYRU-UHFFFAOYSA-N 361.453 2.405 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CCOC12CN(Cc1ccccc1Cl)C2 247948098 BIJRWJBWGQWFHU-MRXNPFEDSA-N 366.889 2.426 0 40 FEAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)CN(C)C)CCO3)n2)cc1 257209683 BRMFKEYRSRFDHP-IBGZPJMESA-N 355.438 2.219 0 40 FEAB Cn1cc(CN2CCC(c3nccnc3Nc3cnccn3)CC2)cn1 257215812 CRTUVYBIOCGRKA-UHFFFAOYSA-N 350.430 2.123 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)n1 257274080 NJKNRKNNLHYUEB-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB O=C(O)c1cccc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 263416609 OALBVQHMGLYJCF-GOSISDBHSA-N 366.465 2.176 0 40 FEAB O=C(c1ccc(F)cc1C(F)(F)F)N1CCS(=O)(=O)C[C@H]1C1CC1 1262089207 GZLFGWYGGXQKPM-ZDUSSCGKSA-N 365.348 2.494 0 40 FEAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(-n2cncn2)ncn1 96025241 LILJPKYXISYBGS-UHFFFAOYSA-N 364.287 2.094 0 40 FEAB CC(=O)N1CCc2ccc(NS(=O)(=O)CCOc3ccccc3)cc21 96025683 XHVUVGMOYBOSCN-UHFFFAOYSA-N 360.435 2.416 0 40 FEAB COc1cc(N[C@@H]2CCCN(C(=O)C(C)(C)C(=O)O)C2)cc(OC)c1 647739202 GTVBWOVZQSSAIF-GFCCVEGCSA-N 350.415 2.218 0 40 FEAB O=C(O)c1ncsc1S(=O)(=O)N1CC[C@@H](Cc2ccccc2)C1 572718537 IGUQKXSTMYGFBO-LBPRGKRZSA-N 352.437 2.095 0 40 FEAB CN1CCC(C(=O)N2CC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)CC1 585182570 SNJZNGLTZYESAQ-MRXNPFEDSA-N 355.486 2.058 0 40 FEAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292935 UJRNZMXBOXFBRS-NNTXTVRGSA-N 372.498 2.419 0 40 FEAB Cc1cc(NC(=O)[C@H]2[C@H]3OCCC[C@@H]32)ncc1I 584277896 ZMZVFHJRMFWWNY-FXAINCCUSA-N 358.179 2.358 0 40 FEAB COc1cccc([C@H]2CO[C@]3(C2)CN(C(=O)c2ccno2)C[C@H]3OC)c1 585287695 BBGSHJGUKFKSRC-LSBZLQRGSA-N 358.394 2.097 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 585277405 UEKPEBKDNPDYNR-IBGZPJMESA-N 359.401 2.065 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 585111449 AVARNTDHYVRAEO-OAHLLOKOSA-N 360.487 2.010 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(CC(=O)O)cc1)C2 630233403 SCQKFGVZKMXAAD-MRXNPFEDSA-N 355.390 2.190 0 40 FEAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1O 8112349 BVZJYQHWBZZYHW-NTEUORMPSA-N 362.407 2.060 0 40 FEAB CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594870 CCVMNXSWYHYWDK-NXWXRZEISA-N 352.519 2.133 0 40 FEAB COc1ccccc1NC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12146802 XHYSIAGMJGVCHY-UHFFFAOYSA-N 368.393 2.350 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3ccnn3C)cc2n1 12161344 OEKJMMSONAYBIY-AWEZNQCLSA-N 354.414 2.098 0 40 FEAB CC1CCN(CC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 12186098 QUVJGQGTTBMRBB-AWEZNQCLSA-N 350.484 2.312 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 12586839 LFVFLSPHAXHMRS-CYBMUJFWSA-N 366.343 2.418 0 40 FEAB CC(C)c1csc(NC(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)n1 19749994 BXFJARJBCLOYDJ-UHFFFAOYSA-N 374.466 2.207 0 40 FEAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccccc1C(F)(F)F 253400076 KLTKGMFCQFHSHA-RAIGVLPGSA-N 365.373 2.320 0 40 FEAB C[C@H](Sc1nnc2ccccn12)C(=O)NCc1ccc2c(c1)OCO2 3505536 MRJVFURHFFJDOW-NSHDSACASA-N 356.407 2.255 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 6087920 CTPCNZHBNPAZSS-UHFFFAOYSA-N 361.467 2.085 0 40 FEAB Cn1c(N2C[C@@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)nc2ccccc21 1888890514 VUHUKXYYUZWYRR-KBPBESRZSA-N 365.412 2.316 0 40 FEAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCOCC1 21254616 MZRJZOUMMCZPFC-CYBMUJFWSA-N 357.406 2.255 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1C 4497710 WOHAUXCDWDJIMC-AWEZNQCLSA-N 360.435 2.087 0 40 FEAB CN(C)c1ccnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298187887 AMEOLEKXQFCGLC-ZDUSSCGKSA-N 353.417 2.017 0 40 FEAB O=C(NCc1cccc2c1OCO2)NC[C@H]1CCN(CC(F)(F)F)C1 50145824 LMURUQDAMNARRN-LLVKDONJSA-N 359.348 2.099 0 40 FEAB COc1ccccc1CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 40106942 AIDRUKWJDKSNSH-UHFFFAOYSA-N 373.840 2.466 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20106109 VSHJJUVZNSSXEH-QGZVFWFLSA-N 374.418 2.055 0 40 FEAB CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 20612092 XXPWSVXFEAFQKZ-WQEIZXBSSA-N 360.498 2.465 0 40 FEAB biogenic CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(F)c(F)c1 102132666 GYBZTOBSBWWIMU-UHFFFAOYSA-N 355.366 2.368 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)Cn1ccnc1 32912131 VQZHAGNBINSSIF-XJKSGUPXSA-N 362.861 2.496 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12322366 IGWOLMLNTZWYOQ-CYBMUJFWSA-N 360.414 2.437 0 40 FEAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 644308 AHENEGJHPYMYCA-UHFFFAOYSA-N 354.406 2.485 0 40 FEAB COC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1466690 TZLGSASMJYXRRP-UHFFFAOYSA-N 366.373 2.488 0 40 FEAB CN(C)CCC(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 1628097 YSTWOTCLVCCZQB-UHFFFAOYSA-N 353.466 2.187 0 40 FEAB CCCN(CC1CC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 42157569 PERVNFDPUZIMDH-UHFFFAOYSA-N 358.847 2.482 0 40 FEAB CCOc1ccc(N2C[C@@H](C(=O)Nc3nnc(CC)s3)CC2=O)cc1 4943352 AUCIFPOBZYVEOP-NSHDSACASA-N 360.439 2.491 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)c(Cl)c1 6778987 MYJPCFJVFQVULC-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1OCC 7360687 FWCOOQDQUGCHCG-UHFFFAOYSA-N 364.423 2.384 0 40 FEAB O=C(CCc1ccc2c(c1)OCO2)OCc1cc(=O)n2ccccc2n1 12452990 JPPRPRYJHHQICV-UHFFFAOYSA-N 352.346 2.099 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 24780721 KSOAGGSJOUFSHC-UHFFFAOYSA-N 358.463 2.046 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 55374412 PIONSLKGVXUVDT-OWCLPIDISA-N 350.459 2.344 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1nccn1C(F)F)C2=O 12520050 WBTOOWUZNCZTBG-UHFFFAOYSA-N 355.389 2.168 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 58169045 OBUSWWVOWOPLPY-AWEZNQCLSA-N 358.891 2.215 0 40 FEAB CS(=O)(=O)Nc1ccc(CNC(=O)Cc2cccc3cccnc23)cc1 58263957 DTFLTTYJTJKBTP-UHFFFAOYSA-N 369.446 2.465 0 40 FEAB CC(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cccs1 58210903 GLDPLNITXFDYLL-GFCCVEGCSA-N 355.485 2.251 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)NCCc1ccc(OC)c(OC)c1 2103700 GJGDRIZDVSXCAV-AWEZNQCLSA-N 352.431 2.133 0 40 FEAB biogenic C[C@H](C(=O)Nc1ncccn1)N1CCC(C(=O)Nc2ccccc2)CC1 58342935 FMDVSDJGNAICOW-CQSZACIVSA-N 353.426 2.154 0 40 FEAB CC1(C)NC(=O)N(CCOC(=O)/C=C/c2ccc3ccccc3n2)C1=O 28184379 BLVGZOGDHCHBRH-MDZDMXLPSA-N 353.378 2.122 0 40 FEAB COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 59589190 QDNMFIYGVRUVCE-NHCUHLMSSA-N 369.417 2.405 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)NCCN(C)C)ccc1NS(=O)(=O)c1ccccc1 10111673 BECAULUQHGRGOC-UHFFFAOYSA-N 361.467 2.087 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2c[nH]c3ccccc3c2=O)n1 46025381 CMUYIRPLCSBXAG-UHFFFAOYSA-N 357.391 2.343 0 40 FEAB CN1C(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2C1=O 8918953 OTQXIMLRWIEFEY-UHFFFAOYSA-N 371.437 2.136 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccccc1F 3563586 SAIUXSHTIRZKSO-IBGZPJMESA-N 353.353 2.158 0 40 FEAB COc1ccccc1N1C(=O)[C@H]2C(C(C)=O)=NN(c3ccccc3)[C@H]2C1=O 5021981 WRJOXENWIHHHEC-FUHWJXTLSA-N 363.373 2.018 0 40 FEAB COc1ccccc1C1=NN(c2cc(C)nc(N)n2)[C@](O)(C(F)(F)F)C1 4478250 PKIMKAKUYBFDEC-OAHLLOKOSA-N 367.331 2.241 0 40 FEAB CC[C@@H](C)c1ccc(S(=O)(=O)NNc2cc(C)nc3ncnn23)cc1 14077093 SFAVPSCBJJRHJU-LLVKDONJSA-N 360.443 2.252 0 40 FEAB CCNC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 14201560 LWKUAPREJMYDDP-CQSZACIVSA-N 374.268 2.000 0 40 FEAB COC(=O)c1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 14209621 NSGHOGRRIGQGIA-UHFFFAOYSA-N 359.357 2.050 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccc3c(c1)CCC3)C2=O 14240928 BWGZTCWCNQQISG-UHFFFAOYSA-N 355.438 2.250 0 40 FEAB CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 306130069 IVTBRCKLRZXBBQ-UXHICEINSA-N 360.454 2.108 0 40 FEAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1 6976766 KBTFOQBETITVGX-UHFFFAOYSA-N 365.355 2.291 0 40 FEAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022210 DMKXXMBABNHHDX-ZYKFEASCSA-N 369.465 2.170 0 40 FEAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022213 DMKXXMBABNHHDX-FQSKDFRHSA-N 369.465 2.170 0 40 FEAB O=C(COc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300099 UGSOSEDLDFFBBZ-UHFFFAOYSA-N 352.434 2.345 0 40 FEAB O=C1CNC(=O)N1CCSCc1cc(Cl)c2c(c1)OCCCO2 95349262 LWWKVUZPFJOTHN-UHFFFAOYSA-N 356.831 2.286 0 40 FEAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 27469168 HLXHNZGEQVOIIW-CQSZACIVSA-N 368.499 2.405 0 40 FEAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccccc2)CC1 68706783 ZCGZUEIKXYDNNE-UHFFFAOYSA-N 359.451 2.295 0 40 FEAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1S(C)(=O)=O 24051200 OHSRIYKXVLDWTK-UHFFFAOYSA-N 357.428 2.050 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)s1 306123066 ADUNTFWRRBNTIT-KBAYOESNSA-N 357.479 2.328 0 40 FEAB COc1ccc2cc([C@@H](C)C(=O)Nc3cnn(CC(N)=O)c3)ccc2c1 32931799 KUBLZUIYTIQASA-GFCCVEGCSA-N 352.394 2.272 0 40 FEAB Cc1c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)nn2c1OCCC2 566616953 QYSNTTWXWYZLQO-INIZCTEOSA-N 354.454 2.497 0 40 FEAB Cc1ccn(-c2ccc(C(=O)Nc3ccn(C4CCN(C)CC4)n3)cc2)n1 562334174 VZSVOUOCPSCOSK-UHFFFAOYSA-N 364.453 2.896 0 40 FEAB COCC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 72346039 MZSVLBCXQNMWCA-CQSZACIVSA-N 356.426 2.087 0 40 FEAB COCc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 40111050 HQCJWKVYGPRYMH-IBGZPJMESA-N 353.378 2.140 0 40 FEAB Cc1cc(C)cc(C2(C(=O)NC[C@@H]3C[C@@H](c4nc[nH]n4)C[C@@H]3O)CC2)c1 527559725 BXEKEJZNKUEDND-VYDXJSESSA-N 354.454 2.124 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2)cc1F 225094667 NXRRAKSJFRJRIW-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB NC(=O)C1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1 40114589 DHQHXOXCPFWKEY-UHFFFAOYSA-N 358.269 2.311 0 40 FEAB COc1cnccc1N1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 573035831 GQACJNJGWNEPOQ-MRXNPFEDSA-N 352.438 2.254 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3cccc(F)c3)nc2s1 41078224 LKUCHPMTDYKDFL-UHFFFAOYSA-N 363.370 2.184 0 40 FEAB CCn1cnc2c(NCC3(O)CCN(Cc4ccccc4)CC3)ncnc21 579685978 BDYSCQHPYHXERN-UHFFFAOYSA-N 366.469 2.285 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 94993289 FGVUILRPUJTGOD-UHFFFAOYSA-N 373.453 2.307 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccccc2)COC1 96112506 PHUNKFSEALFVKT-HNNXBMFYSA-N 365.389 2.324 0 40 FEAB biogenic,in-vitro CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)Cc1ccccc1)C2 96238100 RATCVFJTCMOAKI-FQEVSTJZSA-N 369.490 2.240 0 40 FEAB Cc1cc(CN2Cc3cccn3[C@H](CCOCC(=O)N3CCCC3)C2)no1 247901608 IVWRSOBYINLVQC-LJQANCHMSA-N 372.469 2.371 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3cccnc3)nn2C)cc1 253473096 RKBDHPBXICGSSI-UHFFFAOYSA-N 370.434 2.163 0 40 FEAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)n1 253600953 FDJMYSNTCSJBGQ-CQSZACIVSA-N 370.409 2.103 0 40 FEAB CC(C)n1nccc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257204019 ASRRTUDTYNBBDM-CQSZACIVSA-N 363.487 2.135 0 40 FEAB Cc1nccc(N2CCN(C(=O)c3cccc(-c4nnc(C)o4)c3)CC2)n1 544766532 WRTUYVDLKSBFJB-UHFFFAOYSA-N 364.409 2.106 0 40 FEAB Brc1cncc(O[C@@H]2CCN(c3ncnc4n[nH]cc34)C2)c1 624380871 VKGRYMFDNVLFPO-SNVBAGLBSA-N 361.203 2.168 0 40 FEAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCC2CC(F)(F)C2)N1Cc1ccccc1 630648018 CVMXBFGUEOWMOY-GJZGRUSLSA-N 352.381 2.266 0 40 FEAB CCNC(=O)c1ccc(C)c(NC(=O)N2CCC(Cn3cnnc3)CC2)c1 649978957 MZSREGGIPTXWOJ-UHFFFAOYSA-N 370.457 2.280 0 40 FEAB C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 679424158 BDXPHAXMYYYESV-HYVNUMGLSA-N 368.499 2.029 0 40 FEAB CC[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)c2cnccc2NC1=O 1615592308 XAUKDOWVZTVNKL-CYBMUJFWSA-N 356.430 2.344 0 40 FEAB CCCCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@H]1C 585096435 NIJZJMQTMAVEQA-CQSZACIVSA-N 370.457 2.005 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585277407 UFMKIQDNOQQPKF-KRWDZBQOSA-N 351.399 2.030 0 40 FEAB Cc1cccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)c1 585188820 WGDFJSOWHNUHFI-CQSZACIVSA-N 359.451 2.292 0 40 FEAB Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 16314324 QBPYXZCHVBYBCC-HZPDHXFCSA-N 368.524 2.360 0 40 FEAB O=C(Nc1cccnc1C(=O)O)c1cc(N2CCNC2=O)ccc1Cl 1605867024 PIPQVNIBILQUPE-UHFFFAOYSA-N 360.757 2.215 0 40 FEAB Nc1nc(COC(=O)c2n[nH]c3ccccc23)nc(Nc2ccccc2)n1 5165206 FWOBIGJMYCBBLX-UHFFFAOYSA-N 361.365 2.431 0 40 FEAB CC[C@H](C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 5954030 SYIXPNAIKBNPRA-JTQLQIEISA-N 363.277 2.130 0 40 FEAB Cc1cccc(OCCC(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 5985792 UKVNZYFFLIPGEB-UHFFFAOYSA-N 362.426 2.466 0 40 FEAB Cn1c2ccccc2n2c(=O)n(Cc3cc4c(cc3Cl)OCO4)nc12 12144404 PXCPVSJFGZMDHW-UHFFFAOYSA-N 356.769 2.418 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)Cc3cccc(O)c3)cc2n1 12337022 CFYOUOOYCWYBLE-MRXNPFEDSA-N 352.394 2.355 0 40 FEAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3ccccn3)CC2)C1 12365454 UNQQDJCMAAPKNI-UHFFFAOYSA-N 365.433 2.498 0 40 FEAB Cc1ccccc1Cn1nc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 13960328 KHIWWEHDGIJZCS-MVJTYMMSSA-N 351.406 2.215 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 16248477 OCKXQNUTQKPZQR-SFHVURJKSA-N 364.511 2.139 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1 18106651 VZZFWABQPUJRGX-LJQANCHMSA-N 363.417 2.335 0 40 FEAB O=C(Cn1ccnc1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344332 IYGLRGNEABOHFA-ZDUSSCGKSA-N 369.450 2.101 0 40 FEAB Cc1nc2cc(NC(=O)CN3CCNC(=O)C3)ccc2n1C1CCCCC1 19660432 KEBXRITXPJWUGN-UHFFFAOYSA-N 369.469 2.220 0 40 FEAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)COC(C)C)n1 19698249 NAGKVICTNQWQBA-LJQANCHMSA-N 360.502 2.230 0 40 FEAB COc1cccc2c1OC[C@H](NC(=O)c1cn(-c3ccc(C)cc3)nn1)C2 102912271 OYEYMRIPMDBMBW-OAHLLOKOSA-N 364.405 2.318 0 40 FEAB Cn1cccc1C(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 5825138 PACJNJJWGLNTNA-UHFFFAOYSA-N 358.438 2.431 0 40 FEAB CCCn1nc(C(=O)N2CCC(C(=O)OCC)CC2)c2ccccc2c1=O 17169633 FWASPHUYBRUXMQ-UHFFFAOYSA-N 371.437 2.222 0 40 FEAB Cn1nc(C2CCN(c3cc(C(F)(F)F)ncn3)CC2)n(C2CC2)c1=O 1888853636 YYGVOUMRCQNFFU-UHFFFAOYSA-N 368.363 2.110 0 40 FEAB CCc1ccc(C(=O)N2CC[C@@]3(CCc4nc(C)cc(=O)n4CC3)C2)cn1 1565555601 KZAOJRYRCITSSJ-OAQYLSRUSA-N 366.465 2.378 0 40 FEAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccccc1)C(=O)O 5257655 JRSODNYVRFKHKQ-INIZCTEOSA-N 357.410 2.179 0 40 FEAB COc1ccccc1OCC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5220612 UDGCCOSCIOGDIY-AWEZNQCLSA-N 358.369 2.135 0 40 FEAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCc2ccccc2)C3)cc1 9317313 TVOCUZPGYPUSCX-IBGZPJMESA-N 363.417 2.388 0 40 FEAB CN1C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc21 15109716 QLPASPSWVMWGDZ-UHFFFAOYSA-N 374.418 2.090 0 40 FEAB COc1cccc(NC(=O)NCc2nnnn2-c2ccc(C)cc2)c1OC 17052250 YBEZADZZZNHJQP-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB COc1c(C)cnc(CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c1C 2086865131 NXTKPWHYXLOCFA-OAHLLOKOSA-N 367.515 2.095 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCC[C@H](CCO)c1ccccc1 206628877 LZDWZCAOOXMFST-MRXNPFEDSA-N 356.422 2.306 0 40 FEAB CN(Cc1nnc2n1CCC2)C(=O)COc1ccc(Br)cc1 40025102 OBUQVBYBYCHICQ-UHFFFAOYSA-N 365.231 2.024 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cn1 40150097 HOHIYUYGRMWFLO-UHFFFAOYSA-N 371.422 2.200 0 40 FEAB CCOC(=O)N1CCC(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 40145007 QJOBBJPNAQJBRA-MRXNPFEDSA-N 363.389 2.056 0 40 FEAB CN(C)S(=O)(=O)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 40105812 SMZBGUNUAKZWTR-UHFFFAOYSA-N 372.560 2.115 0 40 FEAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1cccs1 20114085 SRYSDOWVMPTDAM-UHFFFAOYSA-N 354.453 2.372 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621844 KHWMYTSEJQOBMD-OKZBNKHCSA-N 356.466 2.430 0 40 FEAB COc1ccc([C@H](CNC(=O)c2ccco2)N2CCOCC2)cc1OC 21198415 QLICDOZUZNCQCC-HNNXBMFYSA-N 360.410 2.100 0 40 FEAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(C)cc3)o2)NC(=O)NC1 21325395 IRMZAQXQJOKKMF-UHFFFAOYSA-N 374.422 2.267 0 40 FEAB CSCc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2ccccc12 21604583 WMSGRRTVPOUCQP-JTQLQIEISA-N 362.407 2.393 0 40 FEAB COc1ccc(C(=O)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 1086630 IXJDQVLZCAPLNK-HNNXBMFYSA-N 356.403 2.455 0 40 FEAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NC(=O)NCc1ccco1 4198039 VRXCVKFJHQNQHF-UHFFFAOYSA-N 357.395 2.183 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4371878 HHCFNYSZKIHTSQ-UHIISALHSA-N 371.340 2.247 0 40 FEAB COCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 6267401 WYAQRFPTOXCANY-ZBFHGGJFSA-N 366.458 2.248 0 40 FEAB COCc1c(C(=O)OCC(=O)N2CCOCC2)sc2cccc(F)c12 6850784 RINKOEWDTXWYRG-UHFFFAOYSA-N 367.398 2.202 0 40 FEAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C(=O)c2ccccc2C1=O 7215778 AMBRSOLAIDGXCF-MLGOLLRUSA-N 350.374 2.311 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)cc1Cl 7883127 BJJGIXJSZCPSMO-ZDUSSCGKSA-N 367.858 2.307 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCCCCC1 8263566 FTXLKNDNVVSUDG-HNNXBMFYSA-N 367.515 2.448 0 40 FEAB CCOc1ccccc1N1C[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 8394215 DEAXNLHDWJRFFZ-INIZCTEOSA-N 353.422 2.492 0 40 FEAB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(O)c1 9021967 KMOGRQDMBHZXTO-UHFFFAOYSA-N 372.396 2.345 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 9096161 LMRKEQIQKBKFDE-UHFFFAOYSA-N 360.435 2.449 0 40 FEAB O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21 9478143 IYNWWBYXQFWHBN-GDBMZVCRSA-N 373.482 2.138 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1C(F)(F)F 9483987 XBTXGKRBJMABOG-BFHYXJOUSA-N 355.360 2.433 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)NCCOc1ccc(Cl)cc1 9690481 DRTLJPNRPCQTTE-UHFFFAOYSA-N 365.817 2.270 0 40 FEAB CCCC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914245 LCSRIZKBIIJAEF-SNVBAGLBSA-N 364.261 2.358 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12183458 XWXCQNFLYWLQLC-HNNXBMFYSA-N 357.454 2.002 0 40 FEAB CCOCCCNC(=O)Cn1ncc2c3oc(C)cc3n(C(C)C)c2c1=O 12183698 FHJSJTWHVGQLCC-UHFFFAOYSA-N 374.441 2.376 0 40 FEAB CCCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 12347045 ZLDSTQHFEZDKRL-YJBOKZPZSA-N 371.437 2.105 0 40 FEAB CN(CCOc1ccc(Cl)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12745662 YHGXOHROBIPCFV-KRWDZBQOSA-N 351.834 2.329 0 40 FEAB COC(=O)c1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 12994259 ASTHEZXRDAEJQH-HNNXBMFYSA-N 356.378 2.112 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)no3)C2)cc1 13597069 SJZIXUGTNXIDNM-AWEZNQCLSA-N 363.439 2.331 0 40 FEAB Cc1cccc(NC(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 13700449 OJOPBQNQZZTYOK-UHFFFAOYSA-N 365.441 2.404 0 40 FEAB Cc1ccnc2nc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3)nn12 14399128 FHPUKXNYMSBTJD-HNNXBMFYSA-N 367.409 2.246 0 40 FEAB Cn1c(=O)sc2cc(NC(=O)Cn3c(=O)oc4ccccc43)ccc21 15830645 KHZWVSFUCDWTKS-UHFFFAOYSA-N 355.375 2.147 0 40 FEAB O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2Cc1ccccc1 17967397 ZTEPBBMFOCBWCT-HDICACEKSA-N 372.515 2.455 0 40 FEAB Cc1ccn(C[C@@H](C)C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19237905 VCMLHDDDQORFBA-HIFRSBDPSA-N 365.437 2.080 0 40 FEAB CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 19359997 FYTITWWUAXVSGM-OAHLLOKOSA-N 358.467 2.266 0 40 FEAB CCc1nccn1[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 19657370 PVFMVXOUWWPDDQ-CQSZACIVSA-N 356.426 2.118 0 40 FEAB O=C1CCCc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccccc1Cl 19818738 AQOVUBMDSOFDNG-UHFFFAOYSA-N 355.781 2.306 0 40 FEAB CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCOCC1 20098657 NVTMAMROKZJBCG-QGZVFWFLSA-N 352.442 2.398 0 40 FEAB COc1ccc(C(=O)OCCn2cnc3ccccc3c2=O)cc1OC 22468162 HMBNCGITBKRFQG-UHFFFAOYSA-N 354.362 2.271 0 40 FEAB biogenic CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 24064491 UPPORDFAHYYQKP-UHFFFAOYSA-N 359.426 2.164 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cn2cncn2)cc1 29685802 GNRYYOQIDIVGRP-UHFFFAOYSA-N 374.404 2.134 0 40 FEAB O=C1O[C@@H](C(=O)NCc2ccccc2Cn2ccnc2)Cc2ccccc21 32860032 ZLALMEQHGVTPBN-LJQANCHMSA-N 361.401 2.329 0 40 FEAB Cc1csc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)n1 32882255 KNBBINWOWVGABS-UHFFFAOYSA-N 367.496 2.377 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2 40386709 PBASAYAZWMHPQN-VIFPVBQESA-N 353.304 2.202 0 40 FEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCS(C)(=O)=O 42125692 VFIOLGKQVIZNMP-UHFFFAOYSA-N 360.794 2.217 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 42158563 FVPYWKVFUIQJNJ-UHFFFAOYSA-N 374.890 2.276 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2F)c1 48261019 XZJURGYDUXASQK-UHFFFAOYSA-N 350.415 2.314 0 40 FEAB CC(C)OC(=S)SCC(=O)N(CCC(N)=O)c1ccc(F)cc1 48301922 RNJDQCIPMLQOFB-UHFFFAOYSA-N 358.460 2.477 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 51443750 DOTPGSXMDNJXHZ-CYBMUJFWSA-N 353.422 2.176 0 40 FEAB Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(S(=O)(=O)N(C)C)c1 53874702 YRLSVSOFEOJWTA-LSDHHAIUSA-N 368.499 2.319 0 40 FEAB c1ccc2c(c1)nc1n2C2(CCCC2)N=C2NCN(C[C@H]3CCCO3)CN21 54095990 BDTXXWGCSGDPBX-OAHLLOKOSA-N 366.469 2.438 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)NCCc1ccc(-n2cccn2)cc1 58100987 DTSIOWLURYXBOO-HNNXBMFYSA-N 354.454 2.226 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)CC[C@H]3CCCO3)c(C)c12 58330151 MIJBROKKLAMDAE-SWLSCSKDSA-N 374.485 2.275 0 40 FEAB C[C@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 58363519 ZEWGPCQVIHRREX-INIZCTEOSA-N 353.470 2.394 0 40 FEAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 67896376 RUQLVXQOIVDDMB-UYAOXDASSA-N 354.406 2.106 0 40 FEAB biogenic,in-vitro O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(-c2ccco2)s1 72989612 TXMXGYZMEJJREP-UHFFFAOYSA-N 353.363 2.147 0 40 FEAB CCOC(=O)[C@H](O)[C@@H](NC(C)=O)c1ccc(OCc2ccccc2)cc1 77269688 HRXCVPWHTCVYKB-RBUKOAKNSA-N 357.406 2.367 0 40 FEAB in-vitro Cc1ccccc1CS(=O)(=O)NC1CCN(C(=O)CC(C)C)CC1 78643624 GVGUNRPSJNHJKD-UHFFFAOYSA-N 352.500 2.452 0 40 FEAB O=C(Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1)NCCO 79066859 RSOSWOUOQLEPHA-UHFFFAOYSA-N 356.397 2.147 0 40 FEAB CC[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccccc1C(N)=O 88562590 QYPVVLXYOGSLQY-INIZCTEOSA-N 366.465 2.455 0 40 FEAB CC(C)(C)OC(=O)N1CCc2[nH]nc(I)c2CC1 91302757 NBFCDLVDAXUFIA-UHFFFAOYSA-N 363.199 2.350 0 40 FEAB in-vitro Cc1c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cccc1C(=O)O 95349606 FHYLPCHZXWDAFW-UHFFFAOYSA-N 374.418 2.485 0 40 FEAB O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(OCC(F)(F)F)nc1 95466359 KDUYZJLYHAZDAF-UHFFFAOYSA-N 364.305 2.084 0 40 FEAB Cc1nc(CN2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)no1 95959694 KOPNMSMQIQRNJG-UHFFFAOYSA-N 357.389 2.490 0 40 FEAB CCOC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1 96207171 WYOBLNRPHPTLQZ-AWEZNQCLSA-N 353.426 2.079 0 40 FEAB O=C(CN1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1)N1CCCC1 97211719 YDBQRPWVELVEPM-UHFFFAOYSA-N 373.284 2.092 0 40 FEAB Cn1c(=O)c([C@]2(C)NNC(=S)N2c2ccccc2)c(O)c2ccccc21 104807783 JFCBHQOTWJRLFP-LJQANCHMSA-N 366.446 2.316 0 40 FEAB C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1Sc1ccccc1 107356053 XORQFOUCMMWULT-CYBMUJFWSA-N 364.492 2.392 0 40 FEAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 108981147 SABXHYVPRAXLQH-GRDNDAEWSA-N 366.458 2.095 0 40 FEAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 246927019 DJMVATGNNSLTJY-MOPGFXCFSA-N 353.470 2.181 0 40 FEAB O=C(COC[C@@H]1CN(Cc2cccs2)Cc2cncn21)N1CCCC1 247744185 QEBGKPFALUKAIQ-INIZCTEOSA-N 360.483 2.141 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257309010 TZDKBGSURHHXNQ-CQSZACIVSA-N 360.435 2.271 0 40 FEAB CC(C)c1nccn1CCC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257339036 YZXSOIIFYPTJFS-ZHALLVOQSA-N 357.454 2.484 0 40 FEAB CCCn1ccc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)n1 257342921 ZQPQFPOBWOUYEL-SFHVURJKSA-N 355.442 2.302 0 40 FEAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccccc3F)CC2)C1 306131520 KHNCQQTWTCUNBW-UHFFFAOYSA-N 373.432 2.299 0 40 FEAB CC[C@@H]1CN([C@H](CC)C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CCO1 332274556 IBYDMPHMYBCMMO-GUDVDZBRSA-N 373.497 2.140 0 40 FEAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 408708201 HOJJLIJQWXZRRC-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2cncc(C(=O)OC)c2)n[nH]1 562418339 MVGKDTTVDKAPCJ-SNVBAGLBSA-N 352.416 2.296 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](OCCO)c1cccs1 575619422 DXJLAUIHNNGASN-CYBMUJFWSA-N 359.444 2.224 0 40 FEAB C[C@@H]1CN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)CC[S@](=O)C1 581057704 LQJLIUGZVJGYOD-YDBLSZJJSA-N 361.471 2.229 0 40 FEAB CCN(CC(=O)O)C1CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 666539071 IAAYQACHQYIUQV-MRXNPFEDSA-N 373.497 2.372 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846767 YGKLHFURZXTQOS-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909081 SINDQQHBIWTFNM-LJQANCHMSA-N 352.450 2.290 0 40 FEAB COCCNC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N(C)C)nc1 78672042 NROTZBKLRCOERL-GOSISDBHSA-N 356.470 2.481 0 40 FEAB CC[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 625668 BTPDNNXNQCAUTM-LBPRGKRZSA-N 358.467 2.373 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@@H]2CCCO2)cc1 53436429 YPWNYQILRKLSNY-HOCLYGCPSA-N 368.499 2.405 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)c1c(Cl)nc2ccccn12 47249560 RSGPIPCKWVLGBS-UHFFFAOYSA-N 371.828 2.149 0 40 FEAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccccc1F 47277327 KNUSIWUEEQMQJU-UHFFFAOYSA-N 350.371 2.324 0 40 FEAB C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(N2CCOC2=O)c1 103839177 XDXYWLFMFLSONI-VSICPBCXSA-N 370.405 2.343 0 40 FEAB O=C(NCc1cccc2c1OCO2)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 54140422 IXOXEUZJROCHGV-CYBMUJFWSA-N 374.343 2.363 0 40 FEAB Cc1nn2c3c(sc2nc1=O)C(=O)N(c1ccc(F)c(Cl)c1)C3=O 957732 SXOIKEQFENTZFN-UHFFFAOYSA-N 364.745 2.053 0 40 FEAB O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680543 MVBQXIBEIJGNHT-UHFFFAOYSA-N 352.437 2.491 0 40 FEAB CCOC(=O)c1ccc2nc(CCC(=O)NC(C)C)c(=O)n(CC)c2c1 8708866 PJRWZLCXQUQATE-UHFFFAOYSA-N 359.426 2.050 0 40 FEAB C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1cccc(OCc2ccccn2)c1 55647880 AGJMYBFCTCMMBE-UONOGXRCSA-N 362.451 2.271 0 40 FEAB Cc1sc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c2c1C 57381144 KBHCEEMGTAARBN-UHFFFAOYSA-N 359.499 2.053 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 3289747 SJYFCFADHPDTEH-HNNXBMFYSA-N 366.417 2.246 0 40 FEAB C[C@@H](CNC(=O)CSc1nc(N)cc(N)n1)c1nc2ccccc2s1 58208803 DRXVIAKVIAYXLI-VIFPVBQESA-N 374.495 2.263 0 40 FEAB CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 58218770 BBDBIDFHQMKVLK-HOCLYGCPSA-N 360.458 2.104 0 40 FEAB COc1ccc(CCC(=O)N2CCN(Cc3nnc(C4CC4)o3)CC2)cc1 58202641 YSNVMEFHTRYHGE-UHFFFAOYSA-N 370.453 2.233 0 40 FEAB CCCCC(=O)NC(=S)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2145566 ZMCUCUSNUINMPA-UHFFFAOYSA-N 352.412 2.263 0 40 FEAB COc1ccc(COC[C@H](O)CNC(=O)COc2ccccc2C)cc1 58312851 NUJAHESTJXUALK-QGZVFWFLSA-N 359.422 2.076 0 40 FEAB O=S(=O)(CCn1cccn1)Cc1cc(Cl)c2c(c1)OCCCO2 58407238 NQQFLUKKOHBPCB-UHFFFAOYSA-N 356.831 2.313 0 40 FEAB COCCN1C[C@H](c2cc(O)n3nc(-c4cccc(C)c4)cc3n2)CC1=O 100775890 RAOZQTXCLCZXHJ-OAHLLOKOSA-N 366.421 2.373 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(=O)c3ccccc3o2)c1 11360009 VMSOPQMQMZTXMF-UHFFFAOYSA-N 372.402 2.095 0 40 FEAB O=C(NCc1nnc2n1CCC2)c1ccc(-n2cnc3ccccc32)cc1 28976508 VZABBXDTUJIAEI-UHFFFAOYSA-N 358.405 2.493 0 40 FEAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(C(C)C)s3)n2)cc1 11914448 LSPPZLHCCYCUIF-UHFFFAOYSA-N 371.422 2.468 0 40 FEAB C[C@H](NC(=O)NC[C@H](O)C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 48743559 GENARUJSHZQSJZ-ZANVPECISA-N 374.363 2.254 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)C1 9704766 DFRVAAYAORHTCN-AWEZNQCLSA-N 357.406 2.446 0 40 FEAB COc1ccc(N(C)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 65575260 SSUKCKNCDMXMRM-INIZCTEOSA-N 355.394 2.484 0 40 FEAB COc1cc(NC(=O)CCSc2nnnn2C)c(OC)cc1Cl 6526025 BXPGWGQSVGZLAT-UHFFFAOYSA-N 357.823 2.002 0 40 FEAB COc1ccc(-c2n[nH]c(SCn3nnc4ccccc4c3=O)n2)cc1 6609155 STAYPYDLTZSHRT-UHFFFAOYSA-N 366.406 2.335 0 40 FEAB COC(=O)c1occc1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 96930383 DAIIRRYHPQJQOT-FLIBITNWSA-N 366.329 2.419 0 40 FEAB CNC(=O)NC(C)(C)C(=O)Nc1ccc(OCCc2ccncc2)cc1 66423904 KASJAHUEYNBDIS-UHFFFAOYSA-N 356.426 2.349 0 40 FEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1 7377586 IBPHIHCGSUEOKT-OAHLLOKOSA-N 365.499 2.284 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@H]1COc2ccccc2O1 7967987 OJTDOHVTETXBJN-GOSISDBHSA-N 370.405 2.322 0 40 FEAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 408592929 KVTYWLHLWGXHMB-UHFFFAOYSA-N 362.455 2.338 0 40 FEAB Cc1ccn(C)c(=O)c1NC(=O)c1nnn(-c2ccccc2Cl)c1C 75108893 ABRUTXGMGDBQNQ-UHFFFAOYSA-N 357.801 2.489 0 40 FEAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)c(C)n1 36618658 QINKSYZELZNPOV-UHFFFAOYSA-N 354.380 2.439 0 40 FEAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OCC 408590761 HUDSAYQYMFMMTP-VZUCSPMQSA-N 368.773 2.115 0 40 FEAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCOC)C[C@H]1C(C)C 30880509 DJINKBMUFDHASD-ULQDDVLXSA-N 353.507 2.313 0 40 FEAB biogenic,in-vitro O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nnc(C2CC2)s1 72404344 ROCQMKOCUOALRF-UHFFFAOYSA-N 353.407 2.278 0 40 FEAB Cc1cc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Br 47080893 SMDTUYLGGUAGSN-UHFFFAOYSA-N 352.188 2.104 0 40 FEAB CS(=O)(=O)N[C@@H](CC(=O)NCc1ccccc1)c1ccc(F)cc1 225945043 FGXAFZWVPJWUTR-INIZCTEOSA-N 350.415 2.123 0 40 FEAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C(=O)C3CC3)C[C@H]21 514288705 VZJZKBLJRXAYPX-OCCSQVGLSA-N 354.328 2.159 0 40 FEAB biogenic,in-vitro c1cc(CN2CCOC[C@@H]2c2nccc(NC3CCOCC3)n2)ccn1 96219981 CLUMXLNQUZLLGN-QGZVFWFLSA-N 355.442 2.036 0 40 FEAB COc1cc(N2CCC[C@@]3(CCN(C(=O)c4cncc(C)c4)C3)C2)ncn1 96216541 PYTRHFMDODQQQS-HXUWFJFHSA-N 367.453 2.321 0 40 FEAB Cc1ccc(NCCC(=O)N2CCOC[C@@H]2c2ncnn2C)cc1Cl 585082085 ARMOXVNVWNZUKR-OAHLLOKOSA-N 363.849 2.179 0 40 FEAB O=C(Cc1ccccc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240875 DAPYKYGUMLLMSK-GOSISDBHSA-N 356.466 2.107 0 40 FEAB NC[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242539034 JMOSYQVSXYVIJF-INMHGKMJSA-N 365.838 2.309 0 40 FEAB COC[C@@H]1CN(C(C)=O)CC12CCN(CCOCc1ccccc1)CC2 247913626 FBVCIUZEKZIYFG-FQEVSTJZSA-N 360.498 2.410 0 40 FEAB Cn1ccc(C(=O)N2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 257272356 NCDAFLHOPZPPGB-ICSRJNTNSA-N 355.438 2.401 0 40 FEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cn(C)cn2)CC1 257207290 BHCSBTJWWAILHT-BXWFABGCSA-N 369.469 2.229 0 40 FEAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257283097 OWTDCDFWHGOSJU-HNNXBMFYSA-N 359.430 2.044 0 40 FEAB Cc1ccnc([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257331895 XUTALOABWTVEQB-INIZCTEOSA-N 351.410 2.194 0 40 FEAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H](N(C)C)[C@H]2O)c1 257287633 PQUYSDCAVMRMSD-NCOADZHNSA-N 366.458 2.031 0 40 FEAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2F)n1 604382347 OVROJTCYYNQQHS-HNBVOPMISA-N 373.472 2.429 0 40 FEAB biogenic,in-vitro O=C(O)COc1cccc(C(=O)Nc2ccccc2N2CCC(O)CC2)c1 663094485 BRPFAVOSNPEOBL-UHFFFAOYSA-N 370.405 2.363 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)CSc2ccccc2)C1 100151212 AWTOWIPJXQJRGL-ULQDDVLXSA-N 356.491 2.421 0 40 FEAB biogenic Cn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)nn1 96098412 KMKRZOFKCAXKLW-UHFFFAOYSA-N 353.407 2.332 0 40 FEAB CCc1nc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cn1CC1CC1 663252607 NBYMNISHLQSZLF-UHFFFAOYSA-N 367.402 2.494 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Cc1ccc(F)cc1 585275418 ANNIZZZHIXETSK-AEFFLSMTSA-N 358.413 2.244 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120105 ZRSLDFDAYXBUIU-HNNXBMFYSA-N 352.456 2.073 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 101517092 PRFHGSRHYRAXMG-INIZCTEOSA-N 369.469 2.161 0 40 FEAB Cc1cccc(CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)c1 5000179 DZLJOVGMDGRJHG-RBUKOAKNSA-N 367.449 2.321 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)NCc3cccs3)C2)n1C 5001468 IJKOSIRDGKDEGU-LBPRGKRZSA-N 365.528 2.094 0 40 FEAB Cc1cn(S(=O)(=O)c2ccc(I)cc2C)cn1 5401726 KSFAKINXEQJGMY-UHFFFAOYSA-N 362.192 2.342 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)cc1 12258412 YBONSYVNUPQDTG-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13267772 PGTPYHQCYDXAFI-CYBMUJFWSA-N 362.393 2.054 0 40 FEAB COCCCNC(=S)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1 13598916 ININTILKILWPMS-UHFFFAOYSA-N 364.515 2.492 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 14373734 KRTOOXSLWTXOIO-KRWDZBQOSA-N 360.435 2.286 0 40 FEAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(=O)[nH]c(=O)[nH]2)N3)C1 18192165 KNXCZLIYKCXTLE-RTHLEPHNSA-N 374.466 2.130 0 40 FEAB Cc1nn(C)c(C)c1CN(C(=O)c1ccc(Cn2cncn2)cc1)C1CC1 19577800 TYEQFXUBTKFLNB-UHFFFAOYSA-N 364.453 2.482 0 40 FEAB CCn1nc(C(=O)Nc2cccc(Cn3cncn3)c2)c2ccccc2c1=O 19716919 JSMHFIBEBJCLNH-UHFFFAOYSA-N 374.404 2.309 0 40 FEAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 6606851 JFUIVYHMAOKFEM-UHFFFAOYSA-N 363.391 2.420 0 40 FEAB CCn1cnc2c(N3CCN(c4nc5ccc(F)cc5o4)CC3)ncnc21 1888924347 TUXISSAIXDZGIV-UHFFFAOYSA-N 367.388 2.453 0 40 FEAB O=C([C@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1)N1CCSCC1 1889138980 DPQSOKPESZCDJN-HNNXBMFYSA-N 371.510 2.399 0 40 FEAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)n1 1848353819 SXEYLZOJIYDIPE-KRWDZBQOSA-N 350.426 2.389 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(CO)cc2)c1 23974175 BFHNFQGYKUAQHR-ZDUSSCGKSA-N 371.389 2.458 0 40 FEAB CC1CCC(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)CC1 1565544325 IHSVCEBWOARGBA-WZOJCFFYSA-N 351.535 2.066 0 40 FEAB Cn1c(=O)c2c(nc3scc(CSc4ccccc4)n32)n(C)c1=O 4626050 NRDFBCRCRJQUDE-UHFFFAOYSA-N 358.448 2.239 0 40 FEAB COc1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 5339124 XPPOAMCWZYZZGF-UHFFFAOYSA-N 360.435 2.416 0 40 FEAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCO2 7455529 CGATZQDVNIHHQF-UHFFFAOYSA-N 365.345 2.222 0 40 FEAB COCCn1cc(C(=O)N2CCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661552 ANYMOQCKDBPADA-UHFFFAOYSA-N 366.421 2.021 0 40 FEAB CCCNC(=O)CCCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 12416135 SIVRCYHAYOLONI-UHFFFAOYSA-N 363.439 2.152 0 40 FEAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)c2cnccn2)CC1 2055759342 NHOGYSYUBISWNM-UHFFFAOYSA-N 367.453 2.088 0 40 FEAB CCCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1 23127562 UXULWUXLCQADDQ-UHFFFAOYSA-N 354.516 2.276 0 40 FEAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sccc2C(N)=O)cc1 10218596 NZOMIGYFOVYENG-UHFFFAOYSA-N 366.464 2.348 0 40 FEAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)c3ccccc3Cl)ccc21 96362651 FZWDWCLHEYGKBW-INIZCTEOSA-N 366.870 2.344 0 40 FEAB CC(C)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccccc1 40092278 VYPQGIQBODOJRD-JKSUJKDBSA-N 355.525 2.463 0 40 FEAB O=C(CCc1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 40160804 MILQIVIGXXEKSS-MRXNPFEDSA-N 350.846 2.122 0 40 FEAB COc1cc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc(OC)c1 51316323 MZGFVZZKYZPNMV-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)o1 101678268 TVEVARRXDFIHIR-AEGPPILISA-N 352.394 2.312 0 40 FEAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)cc1 32595005 SJIOBZPVRZIPHB-UHFFFAOYSA-N 359.382 2.203 0 40 FEAB COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1N1CCCC1=O 103024172 ZFTUEWVWHKUGAP-BMEPFDOTSA-N 370.405 2.283 0 40 FEAB CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 76221727 FKJLJYSYKWFNSH-AWEZNQCLSA-N 372.469 2.411 0 40 FEAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 47030367 QJKASDOQIJRWGT-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB COCCCn1c(C(=O)NCC(C)C)cc2c(=O)n3ccccc3nc21 33551065 RMYQYNOVSYGWPW-UHFFFAOYSA-N 356.426 2.072 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCc2c1cnn2C 47490295 ZZBXUVMLMSXZGA-IAQYHMDHSA-N 360.845 2.386 0 40 FEAB CCNc1nc(NCC)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1 854241 PDCBNZIKWZMYKZ-UHFFFAOYSA-N 356.839 2.189 0 40 FEAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 6327414 FVFZTNSRNOHVRU-UHFFFAOYSA-N 363.487 2.241 0 40 FEAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1CCCO1 3006278 QGMUFVOIAATFRP-OAHLLOKOSA-N 361.829 2.249 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCc1cn2cc(Cl)ccc2n1 7735418 WBONVZXESMPPCC-UHFFFAOYSA-N 368.780 2.441 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1C 12534615 ZVQFYGOLRQHKEJ-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccccc1F)OCCO2 12541644 BKCHAKDOMIJUKI-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB Cc1ccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)no2)cc1 25247904 DJMOMUXNCVOMBH-UHFFFAOYSA-N 373.390 2.049 0 40 FEAB COC(=O)CCSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 25795109 FQJCCIPTVSRZRR-UHFFFAOYSA-N 362.455 2.068 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccccc1C)C[C@@H]2O 26158352 PCULBHONNVBLTO-KRWDZBQOSA-N 370.449 2.178 0 40 FEAB Cn1nc(CC(=O)NCCc2cccc(Cl)c2)c2ccccc2c1=O 12623167 MQJOGRFVOZROSE-UHFFFAOYSA-N 355.825 2.488 0 40 FEAB COc1ccc(CCNC(=O)CN2CCc3sccc3C2)cc1OC 10093842 FSMMUORVLHXWPA-UHFFFAOYSA-N 360.479 2.482 0 40 FEAB O=C(c1cc(=O)c2ccccc2o1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404415 WMUBYQVCWFAIIY-ZIAGYGMSSA-N 362.385 2.214 0 40 FEAB COc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 57270638 CYAFGDNFRGXYFF-UHFFFAOYSA-N 369.421 2.185 0 40 FEAB CN(C)C(=O)OCCN1CCN(CCCC(=O)c2cccs2)CC1 22463320 KODWJTJZIKCBSV-UHFFFAOYSA-N 353.488 2.027 0 40 FEAB in-man CCC(=O)Nc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1C 58331290 FQPQZCXHZDGCEP-UHFFFAOYSA-N 368.441 2.488 0 40 FEAB CCn1c(NC(=O)c2cccc(S(=O)(=O)NC)c2)nc2ccccc21 10652142 DUCYJJQTJLAINU-UHFFFAOYSA-N 358.423 2.217 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 113939409 XOLCGKWJHGNKQT-UHFFFAOYSA-N 354.378 2.047 0 40 FEAB Cc1cccc(C)c1OCCOC(=O)c1sccc1S(N)(=O)=O 10935044 KMGUSJUXFVVSLK-UHFFFAOYSA-N 355.437 2.248 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 2336183 XZDFQUPLIIBLMP-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB CCn1c(SCC(=O)NC(=O)NCc2cccs2)nnc1C1CC1 13023388 YDLSJBISMCVQKA-UHFFFAOYSA-N 365.484 2.355 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(=O)NCc1ccco1 9835633 ICMBYWYZKSACHK-UHFFFAOYSA-N 356.382 2.387 0 40 FEAB COCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)cs1 13309220 IHMQEYZHDMYIBZ-UHFFFAOYSA-N 355.437 2.284 0 40 FEAB NC(=O)[C@H](c1ccccc1)N1CCN(c2cc(OCC3CC3)ccn2)CC1 96006359 OUFZSGRBANASQZ-FQEVSTJZSA-N 366.465 2.219 0 40 FEAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)NC(N)=O)[nH]c(=O)c12 5165809 BKVZQHOFYRIKBX-SSDOTTSWSA-N 368.484 2.169 0 40 FEAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14111916 OCNJVQHYHBIOAO-UHFFFAOYSA-N 364.511 2.444 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)c(C)c1 22423664 QGTQGJFQWAJBGK-UHFFFAOYSA-N 362.455 2.249 0 40 FEAB CCc1[nH]c(C(=O)OCC(=O)NC2CCCCC2)c(C)c1C(=O)OC 14200177 DTOUKYOGGRWSGM-UHFFFAOYSA-N 350.415 2.278 0 40 FEAB Cc1c(CC(=O)Nc2ccccc2C(N)=O)c(=O)oc2c(C)c(O)ccc12 6623907 PSVVRKOBJJTNPB-UHFFFAOYSA-N 366.373 2.396 0 40 FEAB biogenic O=C(CNC(=O)c1ccc(Br)o1)NCCc1cccs1 9477897 OGGNIFJXJYVCJA-UHFFFAOYSA-N 357.229 2.192 0 40 FEAB C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 5603909 SPYJGTPISHWQEL-LBPRGKRZSA-N 373.906 2.261 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1 6758695 PBDJUGINYNBVQO-CYBMUJFWSA-N 368.389 2.474 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1 4927246 JAXHCFCYKSCFAF-UHFFFAOYSA-N 352.394 2.073 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 15606947 DXYUKLJZUHEMCF-UHFFFAOYSA-N 372.446 2.398 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1 15614967 IAMKSCUZCMHFQT-CQSZACIVSA-N 371.437 2.393 0 40 FEAB Nc1nccnc1C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 9513093 PKUICVIDXRNRAE-UHFFFAOYSA-N 372.715 2.109 0 40 FEAB CCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 7618315 ZPIMOHBBEYETLZ-UHFFFAOYSA-N 351.457 2.067 0 40 FEAB COC(=O)c1c(CC(C)C)csc1NC(=O)C1=NN(C)C(=O)CC1 71837493 BKJHSUAKGVYTSS-UHFFFAOYSA-N 351.428 2.280 0 40 FEAB O=C1OCCN1CCN1CCO[C@H](c2ccc(Br)cc2)C1 70694737 LXXXNXVUMYOSCF-AWEZNQCLSA-N 355.232 2.275 0 40 FEAB C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1sccc1C(N)=O 8778438 QZRXKOHQVISUMY-JTQLQIEISA-N 361.423 2.097 0 40 FEAB COc1cccc(-n2c(=O)c3c(c4c(N)ncnc42)CC(C)(C)OC3)c1 8792461 MBPWUVDCWDTKMQ-UHFFFAOYSA-N 352.394 2.223 0 40 FEAB biogenic O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc2cccnc12 18700192 NFPPKFFOSVHPEM-UHFFFAOYSA-N 360.373 2.267 0 40 FEAB O=C(C1=CCCC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 306142503 XBBOWWMLPLMWLH-HNNXBMFYSA-N 352.442 2.244 0 40 FEAB CC(C)n1cc2cc(NC(=O)NCC(=O)NCC(F)(F)F)ccc2n1 72309653 BFSOUQMJIIMGPK-UHFFFAOYSA-N 357.336 2.417 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(C)no4)C3)nn2)cc1 95998029 OTHKPNSDAWYMMB-UHFFFAOYSA-N 353.382 2.337 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1 95957140 JUXZFWHAIMPRHM-OAHLLOKOSA-N 358.442 2.379 0 40 FEAB COCCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(C)nn2c1C 20633673 NJBHZZHZEOUGCD-UHFFFAOYSA-N 356.382 2.220 0 40 FEAB O=C(c1ncn2c1-c1nc(NCc3ccco3)ncc1CC2)N1CCCC1 306139559 TUFMJLPEXDTKKD-UHFFFAOYSA-N 364.409 2.337 0 40 FEAB O=c1cc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)[nH]c2ccnn12 513833376 BIBUMMFVQDFCQF-AWEZNQCLSA-N 354.414 2.400 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 72360348 QQSSTKQNOGQXOS-MRXNPFEDSA-N 350.430 2.389 0 40 FEAB CCC[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30756689 OBQJIJOTYGMMHW-QMTHXVAHSA-N 360.863 2.172 0 40 FEAB Cc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(C(=O)O)cc1)CCO2 567488242 KNDGJUJLVGYKQN-QGZVFWFLSA-N 357.406 2.328 0 40 FEAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 72382490 IOTZMYASNUGWIH-CQSZACIVSA-N 361.409 2.343 0 40 FEAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 223640493 PJSAILGMBQPSQU-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](c3ccncc3)C1)C2=O 568554316 BJNANPVOQHWULF-MRXNPFEDSA-N 363.417 2.392 0 40 FEAB COc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1F 225389201 GHQFRMIJZXKYJZ-UHFFFAOYSA-N 352.387 2.482 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 225781047 XQOLHSBDOQRITE-UHFFFAOYSA-N 364.402 2.259 0 40 FEAB COc1cccc(CC(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)c1 85468247 CQJLYNWXQLDPKK-QGZVFWFLSA-N 359.514 2.112 0 40 FEAB O=C(NCc1nc(-c2ccccc2F)cs1)N[C@H]1CC[S@](=O)C1 574465708 DAAGPYXAKFOAOF-VCGICTTQSA-N 353.444 2.269 0 40 FEAB Cc1cccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 223339830 QVWDWNZWSWPTBZ-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 223821865 MJQKDUOLGRXLDN-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB COc1ncccc1CN1CCOC[C@H]1c1nccc(N2CCCC2)n1 96209633 VOZIGVAZMDPWDS-INIZCTEOSA-N 355.442 2.054 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3Oc4ccccc4C(=O)N(C)[C@@H]3C2)cc1 514289808 OTBOSWRUPGVRFG-AEFFLSMTSA-N 352.390 2.053 0 40 FEAB biogenic,in-vitro O=C(c1cocn1)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2 96106192 STGATXHTKPATLJ-INIZCTEOSA-N 357.410 2.298 0 40 FEAB Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 248024272 NJOKWTXGBYEKET-SFHVURJKSA-N 354.454 2.250 0 40 FEAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)NCCC3=CCCCC3)ccc21 253394403 BABALLCLZBBLGP-LJQANCHMSA-N 369.465 2.335 0 40 FEAB COCC(=O)N1CCC(Cc2nccnc2-c2ccc(C(=O)O)cc2)CC1 257279849 OILDDJPEAARQRV-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 257325536 WTJIIQRICQFFJF-INIZCTEOSA-N 350.426 2.329 0 40 FEAB C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H](c2nc(C3CC3)no2)O1 623173454 GHTDNDHZNFBYHY-BXUZGUMPSA-N 353.382 2.197 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775966443 FBTODPTVDRNUMH-GFCCVEGCSA-N 360.391 2.067 0 40 FEAB Cn1cnc(S(=O)(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 96025771 JNIOJPAUYVEKOW-LJQANCHMSA-N 371.462 2.273 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3nc(C)no3)C2)cc1 585276127 KANJWGNXPYNRKJ-LJQANCHMSA-N 359.426 2.052 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccncc1 48189694 DVCQJHDHGMQLAF-SECBINFHSA-N 368.256 2.340 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 81532712 WVKAJTHSIKXJPZ-DWTRPJMMSA-N 354.447 2.159 0 40 FEAB Cc1nc2c(c(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)n1)CCC2 585502389 LACOPSGFXHYLSG-UHFFFAOYSA-N 365.481 2.236 0 40 FEAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@@H](CC(C)C)C(=O)O 1570005760 NKUNTLCBLCTHRK-LBPRGKRZSA-N 353.396 2.340 0 40 FEAB O=C(CN1CCC(n2cnc3cccnc32)CC1)NCc1cccs1 12114662 GMMHAGPSOUKKJX-UHFFFAOYSA-N 355.467 2.446 0 40 FEAB C[C@@H](O)CNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12220726 SEJSXTDUFHHJNF-CYBMUJFWSA-N 362.401 2.317 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406871 NFEHGTFDSHQNKG-LLVKDONJSA-N 358.352 2.477 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cn1cc(Cl)cn1 13226883 ZMUAXVBAGREXDQ-OCCSQVGLSA-N 356.817 2.176 0 40 FEAB O=C(NCc1ccco1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 13999554 SXTMILGSVKAFFB-UHFFFAOYSA-N 355.394 2.207 0 40 FEAB Fc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1 19343846 OCCXCSSYJILMBS-UHFFFAOYSA-N 358.446 2.244 0 40 FEAB CC(C)NC(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19449896 BUPRYELXRASVPV-ZDUSSCGKSA-N 351.834 2.409 0 40 FEAB C[C@@H]1CN(CN2C(=O)C(=O)c3cc(Br)ccc32)C[C@@H](C)O1 19848284 CLPXVDFQKMDAFU-NXEZZACHSA-N 353.216 2.045 0 40 FEAB Cc1ccc(C)c(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)c1 583619184 PRWUOOUUXLXJJX-OXQOHEQNSA-N 354.454 2.058 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 11077611 UPJMHGLKXQWERU-UHFFFAOYSA-N 355.442 2.402 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)c1cccc(I)c1 6869855 HTQJDHFFEPMPOD-UHFFFAOYSA-N 374.222 2.278 0 40 FEAB CC(C)c1nccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 1889091474 UCULRCQMJIAUJO-UHFFFAOYSA-N 353.474 2.317 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccccn4)CC3)nc(C)n2)n1 1889139844 LVAQKCDMYKGYJO-UHFFFAOYSA-N 363.469 2.305 0 40 FEAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 14084578 KGCILOZEYIPPNY-UHFFFAOYSA-N 352.378 2.241 0 40 FEAB Cn1cnc(C(=O)N2CCC[C@@]3(CCCN(Cc4cccnc4)C3)C2)c1 2056223396 JIQJNCGZAMGOSS-HXUWFJFHSA-N 353.470 2.334 0 40 FEAB Cc1ncnc(OCC2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)c1C 1565523331 LHZFFQZYFBFHHA-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB COc1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(OC)c1 4497298 CHCCFYHCHXQGGA-ZDUSSCGKSA-N 358.369 2.378 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC(COc3ncccn3)CC2)ccc1F 1775969406 PIRNFOIJCAXNBF-UHFFFAOYSA-N 365.430 2.404 0 40 FEAB Cc1cc(Br)cnc1N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 2086861489 UKYSTTOTZHQVIE-GFCCVEGCSA-N 374.304 2.203 0 40 FEAB O=C(c1cc(-c2ccccc2)on1)N1CC(c2nc(-c3ncccn3)no2)C1 49483001 BWEFJANIWWOAPJ-UHFFFAOYSA-N 374.360 2.421 0 40 FEAB Cc1nccc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 2298049586 ICWASBBDJKLDSN-UHFFFAOYSA-N 351.410 2.223 0 40 FEAB O=C1NCCC[C@@H]1N1CCc2nc3ncc(Br)cc3cc2C1 2298049599 UZXDCGRZGNFBEF-AWEZNQCLSA-N 361.243 2.029 0 40 FEAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)NCCC2=CCCCC2)cc1 75155580 MDBZHKUGKHHEOT-OAQYLSRUSA-N 374.481 2.112 0 40 FEAB C=CCn1c(O)c(C(=O)Nc2ccccc2C(N)=O)c(=O)c2ccccc21 5817029 LUWJLOVJYNAMCA-UHFFFAOYSA-N 363.373 2.244 0 40 FEAB CC(C)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccccc1 40092281 VYPQGIQBODOJRD-HOTGVXAUSA-N 355.525 2.463 0 40 FEAB CCN(CCCNC(=O)c1ccccc1I)C(C)=O 40156035 OOQLIMHWGZJYEB-UHFFFAOYSA-N 374.222 2.280 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]2C=C[C@H]1C2 100272222 OOFARBRHWMUVAB-CAMMJAKZSA-N 354.450 2.290 0 40 FEAB COc1ccc(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1 1609336 CYGVARYBUUUCKV-UHFFFAOYSA-N 357.409 2.051 0 40 FEAB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 815868 XFGPZQCSMHXNLB-UHFFFAOYSA-N 359.378 2.338 0 40 FEAB O=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(I)cc1 811213 COINOCBRBWPWPU-LBPRGKRZSA-N 370.190 2.019 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C3=NCCO3)cc2)cc1 6214380 QTFFSCBJUOOBFI-UHFFFAOYSA-N 359.407 2.282 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 6656327 BMKUTFARZZJJEC-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(C)cc1 100395289 VGLRCBKEWISIEM-QMROVXIMSA-N 350.418 2.359 0 40 FEAB CCn1c(S)nc2cc(C(=O)N(C)Cc3cscn3)ccc2c1=O 102773829 VUYRZJZHDSFYEZ-UHFFFAOYSA-N 360.464 2.434 0 40 FEAB CCOC(=O)[C@H]1CC(=O)[C@H](c2ccccc2N2CCN(C(=O)CC)CC2)C1 57327979 BWNSMLKZLGTWGD-WBVHZDCISA-N 372.465 2.371 0 40 FEAB N[C@H](CCC[C@](N)(C(=O)O)C(=O)c1ccccc1)C(=O)c1ccccc1 59832374 KCERZKANANQKNA-OXQOHEQNSA-N 354.406 2.032 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)CC(NC(=O)c1ccnnc1)C2 108531393 KXRKWDGIEPALQH-UHFFFAOYSA-N 357.483 2.416 0 40 FEAB O=C(NC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1)C1CC1 57170805 VJBDLSSZWMDXNV-LJQANCHMSA-N 355.482 2.168 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@]2(CO2)[C@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 100061844 SZSNPNCTSHASFJ-OEMPNRHKSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(N)(=O)=O 95454866 VFJOWPLGRNVIJB-LURJTMIESA-N 359.757 2.157 0 40 FEAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2ccco2)CC1 10027708 DXZMEFJNJGUAEV-UHFFFAOYSA-N 350.378 2.064 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 12790693 PCMIBDDJHULDEZ-ZDUSSCGKSA-N 368.430 2.177 0 40 FEAB Cc1cccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1C 12766734 BHTSWXTYEBUTEB-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nncn2-c2cccc(OC)c2)CCO1 58227664 VERKISAKUIUENW-AWEZNQCLSA-N 362.455 2.005 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 20493277 NTBZEHWGSWUQQR-ABAIWWIYSA-N 372.874 2.126 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2119771 YAROIDGLTJEGGQ-UHFFFAOYSA-N 359.378 2.057 0 40 FEAB biogenic Cc1nnc(-n2nc(C)c(SCC(=O)Nc3ccccc3)c2C)nc1O 27756603 IUEQTBHPAASYTH-UHFFFAOYSA-N 370.438 2.419 0 40 FEAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cn2cncn2)cc1 11168720 KZZFERJCZVSMDG-UHFFFAOYSA-N 372.432 2.485 0 40 FEAB Cc1ccc([C@H]2CC(=O)c3cnc(NCCN4CCOCC4)nc3C2)cc1 20293520 YPRCWRWIRBFRQH-QGZVFWFLSA-N 366.465 2.442 0 40 FEAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(S(C)(=O)=O)cc1 12988437 GDPXGNTYOLUNTM-SJKOYZFVSA-N 373.430 2.049 0 40 FEAB CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)N(C)c3ccccc31)C2=O 19323136 RMVXDKVIIXQLSA-UHFFFAOYSA-N 367.493 2.315 0 40 FEAB biogenic O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 13324986 KDLURBRZHAKUNP-UHFFFAOYSA-N 354.410 2.203 0 40 FEAB O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCC(c2nc[nH]n2)CC1 82980393 VVAZNAYLNWDNJF-SFHVURJKSA-N 353.470 2.423 0 40 FEAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1S(N)(=O)=O 9221430 DRNAAJQADHJVKN-CYBMUJFWSA-N 359.451 2.032 0 40 FEAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)N1CCCC1 5451129 FHAULJVIDUKBRQ-UHFFFAOYSA-N 368.462 2.469 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 7740508 RQCCBBWZDXDINL-UHFFFAOYSA-N 373.430 2.226 0 40 FEAB CN(C)C(=O)CS(=O)(=O)c1ccc(Br)c2ccccc12 19823803 QAEYLOYCJBSJEZ-UHFFFAOYSA-N 356.241 2.464 0 40 FEAB COc1ccc(/C=C(\c2nnn[nH]2)S(=O)(=O)c2ccccc2)c(OC)c1 16742265 MUASBXUOKVVEIW-MHWRWJLKSA-N 372.406 2.189 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 8230681 WCLXOEURMOCKSU-UHFFFAOYSA-N 352.346 2.379 0 40 FEAB 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 21983620 PIDANAQULIKBQS-LXMVBGCASA-N 372.461 2.012 0 40 FEAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)c1nncn1C 84727256 DVGFKRJQMOYQNF-GFCCVEGCSA-N 368.482 2.259 0 40 FEAB Cc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)nn1 89652351 BTDJILILNYPAKH-INIZCTEOSA-N 371.489 2.102 0 40 FEAB CN1C[C@H](C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)CC1=O 72401934 WBMGXJXBAWUUKO-LLVKDONJSA-N 355.350 2.019 0 40 FEAB N[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218185340 GXEMQMLSSZDCQK-OAGGEKHMSA-N 351.811 2.336 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1C 36071058 YKTBFVWRQHJRAV-LJQANCHMSA-N 370.474 2.434 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)C3CCCCC3)nc2s1 41077290 TXVIKLHIWOAKCP-UHFFFAOYSA-N 351.428 2.311 0 40 FEAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 225705262 DWBARXPJGBIRHJ-LLVKDONJSA-N 356.469 2.101 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(Cc2ccsc2)CC1 49027100 OFRVKBWVJJUTIR-UHFFFAOYSA-N 357.435 2.000 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)c(OC)c1 223368683 RHRHJUPZHWSTCA-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CNC(=O)Cc1csc(NC(=O)[C@H](CCSC)n2cccc2)n1 575443113 UQOVYAUZBNLGPG-LBPRGKRZSA-N 352.485 2.166 0 40 FEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1cccc(C)c1 49536370 BKNXRNMHVBTMNE-UHFFFAOYSA-N 359.499 2.140 0 40 FEAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 222644284 HRNSFZQSLUORRL-UHFFFAOYSA-N 368.484 2.264 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c1 224351363 KMJZGKUUDRODGE-UHFFFAOYSA-N 371.441 2.412 0 40 FEAB Cc1cc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c(C)o1 96227002 YMSRPPNMUDQHND-XLIONFOSSA-N 353.422 2.460 0 40 FEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCNC3)nc21 257200718 AEQHZYDEOFLONQ-AWEZNQCLSA-N 352.438 2.350 0 40 FEAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(CC(=O)N(C)C)CC2)n1 257332170 XWBHMHOJUHTFSX-UHFFFAOYSA-N 357.458 2.324 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCN(C)C2)cn1 257335349 YJUMFCVYSDPSES-MRXNPFEDSA-N 355.486 2.006 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 257227519 FPSTUUQOCNIPGK-LLVKDONJSA-N 369.450 2.351 0 40 FEAB Cc1cc(C)n2nc(C(=O)N[C@H]3CC[C@H](Oc4ccccn4)CC3)nc2n1 252540415 PJTYBGUDKGSGLF-SHTZXODSSA-N 366.425 2.256 0 40 FEAB CCc1cc(CNC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2ccccc2OC)on1 257296511 RDEAOWZNCJKFPV-APWZRJJASA-N 371.437 2.472 0 40 FEAB COC[C@]1(C(N)=O)CCCN1Cc1ccc(N(C)c2ccccc2)nc1 643763553 CUMDEDJVWPWOBK-FQEVSTJZSA-N 354.454 2.316 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]1Cn1cncn1 602308479 PBUQYGMNWWAJID-YJBOKZPZSA-N 372.448 2.118 0 40 FEAB COc1ncccc1CN1CCn2c(COCC3CC3)nnc2C[C@H]1C 585097152 GEXZGXIMXLTLMV-CQSZACIVSA-N 357.458 2.055 0 40 FEAB Cc1cc(OC[C@H](O)CN2C(=O)CN(C)C2=O)c(C(C)C)cc1Cl 66237346 CBFZKRMTPYYAKB-GFCCVEGCSA-N 354.834 2.406 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1C[C@]2(C(=O)O)CC[C@@]2(C(=O)O)C1 1776006355 RZKLVBBRKBSDNJ-PMACEKPBSA-N 353.374 2.160 0 40 FEAB Cc1cc(C)n2nc(SCc3nnnn3Cc3ccccc3)nc2n1 11020171 AOLVNADFNDRBPB-UHFFFAOYSA-N 352.427 2.068 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129496 QHOAAURZOPMMDK-UKRRQHHQSA-N 359.451 2.314 0 40 FEAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 13069692 AVORAHPQUQFHGG-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB COCC(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 19019892 AWUBMQNCSIHNGF-UHFFFAOYSA-N 360.454 2.214 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@H]2CCCOC2)n1 19457470 FOBNWFYHHYXPLZ-VXGBXAGGSA-N 351.838 2.262 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(S(C)(=O)=O)cc1 19712142 HIPOXPVBGBHSJA-ZWKOTPCHSA-N 364.511 2.108 0 40 FEAB CC(C)c1nccc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888869506 JMYSIBCLIUFFEN-HZPDHXFCSA-N 350.422 2.221 0 40 FEAB Cn1cncc1C(=O)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888892697 DERBUJYXRJOLFV-OAHLLOKOSA-N 363.421 2.418 0 40 FEAB Cc1cc(N(C)C)nc(N2CCN(c3nc4ccccc4nc3C)CC2)n1 1889180438 FEZJHHXAKNFKSD-UHFFFAOYSA-N 363.469 2.429 0 40 FEAB CCCCOc1ccc(C(=O)NOCC(=O)N[C@H](C)CC)cc1OC 20918062 SDHDWIBXVBPNLB-CYBMUJFWSA-N 352.431 2.450 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)CC3CCOCC3)C2)C1 2056224766 UXENFJUJCZXRCY-OAQYLSRUSA-N 374.529 2.441 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565547997 WANPNCQIOJYWEC-PMPSAXMXSA-N 352.381 2.402 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3ccncc3)CC2=O)cc1OC 4272714 JEPLZJWECXATEC-CYBMUJFWSA-N 356.382 2.026 0 40 FEAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OC 4853596 ACDMDTDBWKBWMC-UHFFFAOYSA-N 353.172 2.180 0 40 FEAB Cc1ccsc1S(=O)(=O)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 2055835526 SNXPQJSSFQYQOO-HNNXBMFYSA-N 370.540 2.465 0 40 FEAB COc1ccc2nccc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)c2c1 2086889710 RSEZCCLHFLDCQB-CYBMUJFWSA-N 361.467 2.294 0 40 FEAB C[C@H](C(=O)Nc1cscc1C(N)=O)n1nc(-c2ccccc2)ccc1=O 618257162 SSDNOQBEKJHFNB-LLVKDONJSA-N 368.418 2.270 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1 9571079 OFLUHRRERGNAOT-UHFFFAOYSA-N 357.439 2.066 0 40 FEAB COC(=O)C1CCN([C@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609134 QVUQOHYWIOFCDG-CQSZACIVSA-N 372.450 2.471 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3s2)C1 21636613 KJPKIXSAUTWDRF-OLZOCXBDSA-N 364.492 2.437 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2 8849061 ZLEIGUITLHHXFK-UHFFFAOYSA-N 359.470 2.184 0 40 FEAB Cc1ccc2ncn(CC(=O)NC(=O)NCCC3=CCCCC3)c(=O)c2c1 42171565 KWWPVKMNANUETF-UHFFFAOYSA-N 368.437 2.421 0 40 FEAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(O)c3)=C2)cc1 6800250 PEUFJRDQMWJADQ-UHFFFAOYSA-N 371.418 2.203 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc(F)c(F)c1 7738677 BZCYMLPHRQIBDQ-UHFFFAOYSA-N 358.300 2.170 0 40 FEAB CC1CCN(c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)CC1 61718420 TVVNVQOSEKWEIS-UHFFFAOYSA-N 354.454 2.138 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cnc2c(c1)c(C)nn2C 24033059 VCHLXTWBYAEGFR-UHFFFAOYSA-N 358.423 2.323 0 40 FEAB O=C(NC(=S)NCCO)c1cn(-c2ccccc2)nc1-c1ccccc1 3195907 XBFLDUCVEVHSFI-UHFFFAOYSA-N 366.446 2.136 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)CC1 100168130 UJEPZDWYASPGGB-FZNQNYSPSA-N 370.453 2.160 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1C(=O)O 55650942 HQKKRVHKSCBSFK-UHFFFAOYSA-N 351.380 2.227 0 40 FEAB NC(=O)C1(CNC(=O)c2cc3c(s2)CCCCCC3)CCOCC1 47909388 TXCVSRNABIDKRW-UHFFFAOYSA-N 350.484 2.419 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 57115444 ZFWGTPRHMDTRRX-LBPRGKRZSA-N 361.419 2.462 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 57381176 CEEWIKFTCHLLAT-UHFFFAOYSA-N 366.421 2.392 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2092818 VDOKWIVLGJZAIF-KRWDZBQOSA-N 361.394 2.268 0 40 FEAB biogenic O=C(COC(=O)[C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F 28119517 DHLCWLFVNUINMR-LBPRGKRZSA-N 361.348 2.397 0 40 FEAB O[C@H](COCc1ccccc1)CN1CCC[C@@H]1c1nnc2ccccn12 12781154 KXLZSTJSBZPIRO-ZWKOTPCHSA-N 352.438 2.444 0 40 FEAB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCOCC2)cc1 20098651 NOVVABBCUYGIRE-KRWDZBQOSA-N 371.466 2.213 0 40 FEAB C[C@@](NS(=O)(=O)c1ccc2c(c1)CCCC2)(C(N)=O)c1ccccc1 58139609 JKVCUXQXCIMDQF-IBGZPJMESA-N 358.463 2.244 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 22861981 AHIHQEBNAJEWFZ-UHFFFAOYSA-N 350.378 2.073 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O 3428571 NPKXHBCYLVSJDW-UHFFFAOYSA-N 367.361 2.228 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(F)c(F)c1 3563568 GMCXYOZGOZCLSL-LJQANCHMSA-N 371.343 2.297 0 40 FEAB CN1C(=O)N[C@H](c2ccccc2)[C@H](C(=O)C(F)(F)F)[C@]1(O)C(F)(F)F 8986715 ZGPMFRXWYBVRBN-LNLATYFQSA-N 370.249 2.381 0 40 FEAB COc1ccc(N2C(=O)N=C(O)/C(=C(/C)NN3CCCCC3)C2=O)cc1 9059033 FJBDXYPUDNUXNS-NTCAYCPXSA-N 358.398 2.383 0 40 FEAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(C)cc1Br 6011782 WKVXLNNXOFDLHT-VOTSOKGWSA-N 370.199 2.359 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1 14189616 FNNOBVYSBGNZBF-UHFFFAOYSA-N 365.477 2.459 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592933 ZHLKGWXHGCRPRT-QJESEZNXSA-N 368.433 2.131 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccco1 5935031 OGILMPLSGCGNOC-DLBZAZTESA-N 355.438 2.047 0 40 FEAB COc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 7978417 FGTRVDPNVOAZGS-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB CCCc1cc(NC(=O)N2CCN(c3nc(CC)ns3)CC2)n(C)n1 91093924 UGLDTVBATLBTOC-UHFFFAOYSA-N 363.491 2.141 0 40 FEAB O=C(Cn1nnc(-c2ccsc2)n1)NCCc1c[nH]c2ccccc12 8000629 JKJYNTUESZWISU-UHFFFAOYSA-N 352.423 2.242 0 40 FEAB O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(Cl)cc1 68938273 HTUMJALTJFPBRY-UHFFFAOYSA-N 372.856 2.453 0 40 FEAB CC(C)n1cc(Br)cc1C(=O)N1CCO[C@H](CC(=O)O)C1 91293505 PYDXYMFUILHCDO-LLVKDONJSA-N 359.220 2.147 0 40 FEAB O=C1N[C@@H](c2ccccc2)C2(C(=O)N=C(O)N=C2O)[C@@H](c2ccccc2)N1 17028594 QJZZISOREAJUOC-OKILXGFUSA-N 364.361 2.179 0 40 FEAB CCOc1ccccc1-c1ccnc2nc(N3CCOCC3)[nH]c(=O)c12 19819814 XGICQOIMFWUPBW-UHFFFAOYSA-N 352.394 2.220 0 40 FEAB COc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)NC1CC1 8777690 BMOYTXIUVRTOLS-UHFFFAOYSA-N 364.423 2.001 0 40 FEAB COCCn1cc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)cn1 95947180 HAPOZOSWASZTKU-UHFFFAOYSA-N 374.294 2.265 0 40 FEAB Cc1nnccc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 89272617 YGZDYGBHYVASIS-AWEZNQCLSA-N 364.327 2.117 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)c3ccco3)c12 9952638 KHQBMWRUMRYLEO-UHFFFAOYSA-N 369.333 2.115 0 40 FEAB Cc1nc(C(=O)/N=c2/sccn2Cc2ccccc2F)c(=O)[nH]c1C 89547922 QSVMLZQAEFFNCN-HEHNFIMWSA-N 358.398 2.178 0 40 FEAB c1cnc(NCC[C@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1 306129440 IDJKNUHZUBQVNX-AWEZNQCLSA-N 355.471 2.264 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 20768461 LKPPEMNFEHKOIV-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB Cn1c(O)nc2cc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)ccc21 517861774 GSZXMJTWGHDAEF-NSHDSACASA-N 357.332 2.462 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCC2(CCOCC2)C1 517949000 NPDMYSDEYUZAEZ-HNNXBMFYSA-N 360.454 2.282 0 40 FEAB O=C(Nc1nccn1-c1ccccc1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529084751 ZIPDSEOHLHHTES-CABCVRRESA-N 360.439 2.056 0 40 FEAB COc1ccc(Cc2nn3c(-c4cnn(C)c4)nnc3s2)cc1OC 79495367 GEXPORFAHLKFNT-UHFFFAOYSA-N 356.411 2.194 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1 45293414 MUHWFJBXRCURGV-UHFFFAOYSA-N 368.499 2.258 0 40 FEAB CCOC(=O)N1CCN(C(=O)CCn2ccc3c(OC)cccc32)CC1 49547842 MORBCFXOGKYQPL-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 44914637 YGNBCDJHDOAQHG-QGZVFWFLSA-N 362.445 2.449 0 40 FEAB CCn1nccc1C(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1 75164198 IDRVSJVKFVOQPC-UHFFFAOYSA-N 367.413 2.332 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 46317507 IBKDYXPCVYHISZ-RISCZKNCSA-N 368.380 2.022 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1C 223927925 COVXYLLCNJHJCM-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1cccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 223937879 GLHDTFOKVKWJIX-CALCHBBNSA-N 370.449 2.140 0 40 FEAB C[C@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC(c2ccccc2)=NO1 226745780 NYUNIDLZKNORPY-MGPUTAFESA-N 355.438 2.087 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 222869789 ANMBHPAWPZMVCN-CQSZACIVSA-N 374.412 2.376 0 40 FEAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c1 225703302 PSBCYKUZRMDYAA-QGZVFWFLSA-N 366.527 2.489 0 40 FEAB c1csc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)n1 96049667 JJLBXPHCHVWMLM-OAHLLOKOSA-N 351.501 2.114 0 40 FEAB Cc1ccc(N2CCCc3sc(C(=O)N4CCCN(C)CC4)nc32)nn1 96264645 DYTJAMGEYFSBFU-UHFFFAOYSA-N 372.498 2.104 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96209007 KRRVAEIWGIYNMM-QGZVFWFLSA-N 355.438 2.401 0 40 FEAB COCCNC(=O)[C@H]1C[C@]2(CO1)c1ccccc1CN2Cc1ccccc1 96143926 CWYFGOKHCONNLC-IRLDBZIGSA-N 366.461 2.449 0 40 FEAB Cc1nc(C)c(C)c(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1 91548455 HTYIJDGGSDRADK-NRFANRHFSA-N 371.529 2.315 0 40 FEAB COc1cc([C@H](C)NC(=O)c2cc(F)ccc2N2CCN(C)CC2)ccn1 585083269 KJUNERUVOWPVJX-AWEZNQCLSA-N 372.444 2.472 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CN1CCCC(F)(F)C1)CC2 649691573 IZIXDZKMNALKFM-UHFFFAOYSA-N 354.397 2.320 0 40 FEAB O=C1COc2ccc(Br)cc2N1Cc1cn(CC2CC2)nn1 656465256 YZHHJJABKXWJTR-UHFFFAOYSA-N 363.215 2.376 0 40 FEAB CO[C@H]1CCN(C(=O)c2cnc(C)nc2O)C[C@H]1Cc1ccccc1F 585276964 QJXMBYMRWDIKGS-PBHICJAKSA-N 359.401 2.350 0 40 FEAB O=C(Cn1ccc(C2CC2)n1)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 585278055 ZHPGSZKFSOHBPT-APWZRJJASA-N 357.429 2.352 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585272614 OGRCIOQUYDYDKS-IBGZPJMESA-N 355.369 2.358 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2ccnc3ccccc23)Cc2cccn2C1 585099088 JZXOWROCKIEKEI-OAHLLOKOSA-N 362.433 2.445 0 40 FEAB CCCn1c(=O)n(CC(=O)OCc2nnsc2Cl)c2ccccc21 32837700 TYHORZUBSNNTRU-UHFFFAOYSA-N 366.830 2.461 0 40 FEAB O=c1c2cccnc2cnn1C[C@H](O)CO[C@@H]1CCCc2ccccc21 77416696 UQIDCMKYBJKJOC-HNAYVOBHSA-N 351.406 2.247 0 40 FEAB CSc1nnc(CCNS(=O)(=O)c2cccc(Cl)c2C)n1C 5001766 MTADBKOVXZIAKQ-UHFFFAOYSA-N 360.892 2.020 0 40 FEAB Cc1onc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)c1Cn1cccn1 12203326 MLUFPUGXRQLXHB-AWEZNQCLSA-N 359.474 2.468 0 40 FEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2cc(C)c(C)[nH]c2=O)on1 12337730 UESKGLDCEBLSHI-UHFFFAOYSA-N 367.409 2.026 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 14264835 MUKWVMAIRLHEEM-DMAKZNTKSA-N 373.453 2.373 0 40 FEAB CC(C)Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)n(C)n1 19447459 UTJODGLJFSGWTM-UHFFFAOYSA-N 370.497 2.381 0 40 FEAB C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 19598863 CLXLFZCKWSFKMJ-LBPRGKRZSA-N 350.415 2.283 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238824631 DLHZKHNHUCJTOB-CQSZACIVSA-N 362.227 2.462 0 40 FEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC(Nc2ncccn2)C1 238935151 VKXMFNJOQJTKIB-UHFFFAOYSA-N 372.372 2.122 0 40 FEAB O=C(c1csnn1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542766 PWMOPDDBBLGION-FUHWJXTLSA-N 374.466 2.161 0 40 FEAB Cc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)o1 1565546365 ZFZNJWWGEVESJW-CQSZACIVSA-N 365.393 2.090 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccsc1 8863653 YJOPBTMENKCKFB-CQSZACIVSA-N 353.394 2.384 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccsc1 8863560 FDPIGHNPTVHOAJ-HNNXBMFYSA-N 365.886 2.437 0 40 FEAB COc1ccc2nccc(N3CCN([C@@H](C)C(=O)NC(C)C)CC3)c2c1 2086869127 VZJUEJQBFHBMJC-HNNXBMFYSA-N 356.470 2.279 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](Oc2nccnc2OC)C1 225807025 SRFYITZMHLFXRG-LBPRGKRZSA-N 363.801 2.441 0 40 FEAB O=C(NCC1CCN(Cc2ccsc2)CC1)C(=O)Nc1cccnc1 43940896 NNGOABLBGOEIIY-UHFFFAOYSA-N 358.467 2.110 0 40 FEAB O=C(NC[C@@H](c1ccsc1)n1cccn1)[C@H]1COc2ccccc2O1 575614510 VFZHAKYHHTVCQV-WMLDXEAASA-N 355.419 2.490 0 40 FEAB COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19569889 FQEABXPCGZXADK-GOSISDBHSA-N 366.465 2.427 0 40 FEAB C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)CN(C)C)cc1 95851924 NTFKWGXXJRSMSD-INIZCTEOSA-N 353.466 2.477 0 40 FEAB Cn1c(CN2CCCC[C@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O 40024436 FAMRYQQVXAHMSV-HNNXBMFYSA-N 370.478 2.421 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3ccccc3F)ccc2c1=O 40146564 VBLCRGUOFOLZNZ-NSHDSACASA-N 355.369 2.340 0 40 FEAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cnn1C 32376570 BBYIWIMDGSQMRL-QGZVFWFLSA-N 362.861 2.185 0 40 FEAB CCc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)nc2CO)cc1 21172886 QFORAWUESPNGDU-UHFFFAOYSA-N 354.385 2.391 0 40 FEAB CCc1[nH]c(C(=O)NCCc2ccc3c(c2)OCO3)c(C)c1C(=O)OC 32741221 GHQMZMFYALUMQU-UHFFFAOYSA-N 358.394 2.373 0 40 FEAB CN(CCOc1ccccc1F)C(=O)CCn1ncc(=O)c2ccccc21 32820277 GXRMGEKGPWBYFU-UHFFFAOYSA-N 369.396 2.463 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CCNC(=O)NCc3ccccc3)cc12 32908006 UQWRBQSJKWODDJ-UHFFFAOYSA-N 366.425 2.105 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(N2CCCC2)cc1 102966266 ANUXVZBHSMGEOA-IRXDYDNUSA-N 353.422 2.177 0 40 FEAB Cc1ccc(-n2c3c(cc(C(=O)N4CCOCC4)c2=O)C(=O)CCC3)cc1 809750 IQWFRWHTRRWNEB-UHFFFAOYSA-N 366.417 2.137 0 40 FEAB CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1357654 QBJPHQAPENCSRS-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC(=O)COc1ccc(C(C)C)cc1 42290680 VBQVTBAGGHUPMO-UHFFFAOYSA-N 352.412 2.299 0 40 FEAB COc1ccc(NC(=O)C[C@@H](NCCc2ccccc2)C(=O)O)c(OC)c1 4192527 FCOKDXCHRJGVPY-QGZVFWFLSA-N 372.421 2.318 0 40 FEAB COCCn1c(SCCN2C(=O)CCC2=O)nnc1-c1cccc(C)c1 23103571 DZCZKGDUWGGORP-UHFFFAOYSA-N 374.466 2.141 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccccn2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940663 JORYNPAJEDESSM-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(S(N)(=O)=O)cc1 6586685 HIAKVJLZACZBMI-MRVPVSSYSA-N 373.228 2.181 0 40 FEAB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 6630119 QNWAPUDCGZUQEL-GXDHUFHOSA-N 354.366 2.187 0 40 FEAB CCn1cc(CCC(=O)N[C@H](C)c2cc(O)n3nc(C)cc3n2)c(C)n1 100217857 WHZFYTMXTPKZSA-CYBMUJFWSA-N 356.430 2.078 0 40 FEAB Cc1cc(F)ccc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58162251 YJKNMUDJEQJVTG-UHFFFAOYSA-N 361.402 2.125 0 40 FEAB Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)N(C)C)cc1 58193679 FRJKXSKPWMLRDG-RTBURBONSA-N 367.497 2.421 0 40 FEAB O=C1[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)CCN1Cc1ccccc1 58192989 MKEJFTPFQRXNHY-KRWDZBQOSA-N 362.426 2.046 0 40 FEAB COCCN1C[C@H](c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)CC1=O 100775921 NAIBPBOHKSGTFY-CYBMUJFWSA-N 370.384 2.203 0 40 FEAB O=C(CCN1CCO[C@@H](c2cccc(Br)c2)C1)NC1CC1 58246529 UKSPJDJUCBXYAM-OAHLLOKOSA-N 353.260 2.491 0 40 FEAB Cc1noc([C@H](C)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 27779555 IATGYMAEOLGZGV-HNNXBMFYSA-N 357.458 2.312 0 40 FEAB COC(=O)c1scc(OS(=O)(=O)c2ccc(C)cc2)c1C(=O)OC 2184151 IDGSIKLIBZDJRJ-UHFFFAOYSA-N 370.404 2.397 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCCCN1CCOCC1 27979406 BOUBHQWCZXVSPL-UHFFFAOYSA-N 370.497 2.260 0 40 FEAB Cc1nc(CN2CC3(CCN(Cc4cncn4C)CC3)CC2=O)cs1 108534277 XAEAXSHQBAPDGJ-UHFFFAOYSA-N 359.499 2.200 0 40 FEAB Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1 58438258 KBMQBQFRVDTCJM-ZDUSSCGKSA-N 371.466 2.163 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cc(F)cc(F)c1 10507203 OJZQLQNPSVSJGL-CYBMUJFWSA-N 355.362 2.425 0 40 FEAB NS(=O)(=O)c1ccc(OCCN2CCC[C@@H]2Cc2ccccc2)cc1 28278894 JUKWDFFUCBWRPL-QGZVFWFLSA-N 360.479 2.420 0 40 FEAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCC(C(N)=O)CC1 57669943 JNNVKHUJSOXLLC-INIZCTEOSA-N 356.474 2.105 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCc3ccccc32)c1 11319109 WIFWGQFQWNNYQJ-UHFFFAOYSA-N 373.430 2.226 0 40 FEAB NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 13041131 LXRHLYLLJZUHRI-UHFFFAOYSA-N 370.780 2.245 0 40 FEAB CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1 71285330 INJXEUVOZOHWGG-UHFFFAOYSA-N 359.411 2.192 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1Cl 22246709 LSLZCCKSPOPJMW-CQSZACIVSA-N 369.826 2.323 0 40 FEAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)O[C@H]1CCOC1=O 4316169 UETOAUJPESZXFU-HNNXBMFYSA-N 367.357 2.075 0 40 FEAB COC(=O)CCc1csc(NC(=O)CSc2nc(C)cc(C)n2)n1 13945729 XCQWKMVCPMWEKD-UHFFFAOYSA-N 366.468 2.386 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(F)cc1 14233513 SQLCVNSBLXTTCA-HNNXBMFYSA-N 363.410 2.322 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCOc3ccccc32)cc1 14200228 UUIKOIOIMACFHH-KRWDZBQOSA-N 374.462 2.256 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)CCn3c(C)cc(O)cc3=O)c2c1 96115940 BAUFYMHKOGKZOU-UHFFFAOYSA-N 369.421 2.101 0 40 FEAB biogenic O=C(C1CC(F)(F)C1)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 306141284 VQONHPMZWVKOFT-HNNXBMFYSA-N 352.381 2.404 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCC2)cc1C 4938295 AWRNNASQFUDEKA-UHFFFAOYSA-N 354.472 2.027 0 40 FEAB CCn1c(CNC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc21 9467196 XIWYFEHEBPCGCF-UHFFFAOYSA-N 361.405 2.083 0 40 FEAB COc1ccc(-n2nnc(C(=O)NC[C@H](C)c3ccccc3)c2N)cc1 9486260 SCANIBBGZLKGGL-ZDUSSCGKSA-N 351.410 2.392 0 40 FEAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1F 7284740 RBKNBQULUNOLIM-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1 7377582 IBPHIHCGSUEOKT-HNNXBMFYSA-N 365.499 2.284 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)n1 7778510 VZXCDLJDXXMUTA-UHFFFAOYSA-N 368.850 2.262 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 9500364 NGHNVQUEQPPXNX-BMLIUANNSA-N 351.353 2.404 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)CC1 7975891 LVNJQPDICBAICM-MRXNPFEDSA-N 370.540 2.345 0 40 FEAB Cc1cccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1C 8007270 BCEUYDVVAQIPOJ-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(Cc1ccsc1)C2)C1CC1 306124847 CAUDVRRODXLDCL-CRAIPNDOSA-N 357.483 2.203 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccccc1 9547055 SWWISXXQUYYHAB-SFHVURJKSA-N 365.433 2.451 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(N2CCCC2=O)cc1 18104651 NKYAZNUIZWIWCN-UHFFFAOYSA-N 351.406 2.111 0 40 FEAB C[S@@](=O)C[C@@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 72298100 FPKNAZOPURDENK-GYCJOSAFSA-N 350.484 2.015 0 40 FEAB CC(C)Cn1c(N)c(-c2csc(-c3ccc(O)cc3)n2)c(=O)n(C)c1=O 9909122 GHWULXCCDALBOY-UHFFFAOYSA-N 372.450 2.281 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)OC)cc1 20495841 HAOGITOBLLEDTM-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 306137398 QVGNWNQHLQSTCT-JKSUJKDBSA-N 363.421 2.428 0 40 FEAB Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCNc1cnccn1 510007076 VTCPIFRVBGJXNM-UHFFFAOYSA-N 360.361 2.194 0 40 FEAB Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 306128974 HPYAOHYABSRKFD-GVDBMIGSSA-N 357.479 2.328 0 40 FEAB Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72360091 NDKFRJIGPRTPGA-GFCCVEGCSA-N 356.459 2.483 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccccc1F 72241556 ULVJKPCULSVZQI-ROUUACIJSA-N 360.360 2.180 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cc2cccs2)c1 30444658 PRDDTJAEYDBKIQ-UHFFFAOYSA-N 352.481 2.294 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655978 WRXINCCFDOJFGG-CQSZACIVSA-N 368.466 2.257 0 40 FEAB CCc1nc(C2CCN(C(=O)c3cc(-c4ccccn4)no3)CC2)n[nH]1 563493270 CBUFXXYQVFJONH-UHFFFAOYSA-N 352.398 2.437 0 40 FEAB O=C1CC[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](c3cc(C(F)F)[nH]n3)C2)N1 72389759 ADJDLOJPGSLLEN-RDBSUJKOSA-N 374.391 2.336 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1 48020460 ZLBBBSPZBFGIIN-GASCZTMLSA-N 363.458 2.484 0 40 FEAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329103440 NPZVVTNBHANBIM-RBSFLKMASA-N 367.478 2.916 0 40 FEAB COc1cc(N2CCC[C@]3(C[C@H](CNc4nccs4)CO3)C2)ncn1 96075731 FDHOONYRFZNJHH-DYVFJYSZSA-N 361.471 2.429 0 40 FEAB CO[C@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109495 VVVZPNFHBCOFQW-UHOSZYNNSA-N 355.438 2.345 0 40 FEAB COc1cccc(C(=O)N2C[C@@H](C(=O)NC(C)C)C3(CCOCC3)C2)c1 96240785 FTKKYTYNONPJPI-KRWDZBQOSA-N 360.454 2.089 0 40 FEAB CCS(=O)(=O)N1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 96241367 BFSLHGDDJKMOPX-UHFFFAOYSA-N 374.510 2.124 0 40 FEAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1cccc3[nH]ccc13)C2 248064839 ZQQMHWFOEZQNCE-HNNXBMFYSA-N 359.495 2.333 0 40 FEAB O=C(c1cccs1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247801441 GBZVVKPECKZHLF-CYBMUJFWSA-N 354.439 2.119 0 40 FEAB O=C(c1cnccn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 247879029 VBGUVOOPNPOBDK-INIZCTEOSA-N 368.437 2.352 0 40 FEAB COc1ccc(OCC(=O)NCc2ccnc([C@H]3CCCOC3)n2)cc1 257327056 WZSFGUBNMHSQKQ-AWEZNQCLSA-N 357.410 2.074 0 40 FEAB CO[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1c1cnn[nH]1 621336031 HZQYSXDSSKRMHQ-GZMMTYOYSA-N 358.627 2.234 0 40 FEAB Cc1cnc(O)n1-c1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1 1645214843 YOHNLMAGNWYHBX-LBPRGKRZSA-N 351.410 2.444 0 40 FEAB CC(C)CCN1CCC(CNC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)CC1 626757043 YJHDYJQDIAICQC-RDJZCZTQSA-N 353.507 2.497 0 40 FEAB COCCOc1ncccc1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C 665964911 YXBPJEYQHLSPAA-CMPLNLGQSA-N 363.336 2.290 0 40 FEAB CC(C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)c1 1775965771 KMSFJNITBBYZRO-LBPRGKRZSA-N 365.411 2.329 0 40 FEAB Cc1nc(C)c(CC(=O)NCc2ccc(-c3csc(C)n3)o2)c(=O)[nH]1 31222816 PVVOLYGOHHCETQ-UHFFFAOYSA-N 358.423 2.271 0 40 FEAB Cc1noc(C2CCN(CC(=O)NCC3(c4ccccc4)CC3)CC2)n1 53640254 MHXYMVACCDULEZ-UHFFFAOYSA-N 354.454 2.405 0 40 FEAB CNC(=O)C1(NC(=O)c2cn(CCOC)c3ccccc23)CCCCC1 57435752 HEMDIGJGGKNGCX-UHFFFAOYSA-N 357.454 2.466 0 40 FEAB NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCc3sccc32)cc1 545957588 FYDVDQBMODCMEE-CQSZACIVSA-N 350.465 2.132 0 40 FEAB CN(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C1CCCCC1 39477192 OEGXPFJEQSJYKJ-UHFFFAOYSA-N 372.421 2.288 0 40 FEAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccc(F)cc1F 42309945 BHUZCXBMALHTHX-MRXNPFEDSA-N 357.426 2.294 0 40 FEAB CO[C@@]1(C(=O)Nc2ccc3cccc(Cl)c3n2)CCS(=O)(=O)C1 1262084501 UMCGFOWXTDHWRZ-HNNXBMFYSA-N 354.815 2.030 0 40 FEAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)cc1 15674189 ATEQIKOVRVIVSK-PBHICJAKSA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro O=C1CCCN1C[C@@H]1CCCN(C(=O)CCn2ccc3ccncc32)C1 19404747 LMHWYVMFVWLWRO-INIZCTEOSA-N 354.454 2.287 0 40 FEAB CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19448331 VYFGTIMVUNXKLZ-QGZVFWFLSA-N 358.486 2.390 0 40 FEAB CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 606362424 IFYQWPCRQKGFDA-HNNXBMFYSA-N 370.453 2.400 0 40 FEAB NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)O)cc2)CC1 675964903 IGDPQVQDADVBGH-UHFFFAOYSA-N 352.390 2.044 0 40 FEAB CCN1C[C@H](CN(C)c2cc(=O)n3ccccc3n2)Oc2ccccc21 10810082 KKXGCFOBDKXGRX-HNNXBMFYSA-N 350.422 2.418 0 40 FEAB O=C1[C@H]2CN(c3ncnc4ccsc34)C[C@@H]2C(=O)N1c1ccccc1 1888890316 WWWCXHSIGMPFFT-STQMWFEESA-N 350.403 2.317 0 40 FEAB Cc1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c(C)c1 1889122684 PMAACDUPQYGOLO-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccc2c(c1)OCO2 245187621 ZRFDOAUMTWWBLO-HDJSIYSDSA-N 359.357 2.464 0 40 FEAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909264 JPAWNGINYFLTGW-HXUWFJFHSA-N 373.428 2.474 0 40 FEAB CN(CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1)C1CCCC1 2037913005 KDPDOBZEWYBQHZ-FQEVSTJZSA-N 364.461 2.432 0 40 FEAB Cc1cnccc1CN1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037980716 GABMDECUKUQVGF-OAQYLSRUSA-N 367.449 2.024 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)c(C)n1 2056223701 BHDAQEYMCXDKJO-FQEVSTJZSA-N 366.469 2.406 0 40 FEAB COc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 1330620 VYRCVIMOZFVDPE-UHFFFAOYSA-N 360.373 2.474 0 40 FEAB COC(=O)C1=C(C(=O)OC)[C@H](c2cccs2)c2sc(=O)[nH]c2S1 4291893 DOOJIODIEUNZSA-ZETCQYMHSA-N 369.445 2.336 0 40 FEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(F)cc2F)n1 7419988 RNJVRECKSJCPSH-UHFFFAOYSA-N 359.336 2.357 0 40 FEAB CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccccc2)nc1=O 7422144 IFUCXTWYIPSTQD-UHFFFAOYSA-N 351.410 2.316 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccc(C)o2)CC1 2055747838 YAKIKMKUQSPQBV-UHFFFAOYSA-N 371.437 2.430 0 40 FEAB O=S1(=O)CC(c2ccccc2)CS(=O)(=O)C1Cc1ccccc1 28294796 JFVCYUIKSPEIGH-UHFFFAOYSA-N 350.461 2.182 0 40 FEAB O=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1ccc2c(c1)CCO2 575615539 QGBYEJJPYXXRSG-UHFFFAOYSA-N 359.407 2.057 0 40 FEAB CN1C(=O)N(CC(=O)Nc2ccc(Cl)cn2)C(=O)C12CCCCC2 26860412 LZFIOTQQJVKWFH-UHFFFAOYSA-N 350.806 2.270 0 40 FEAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(Cl)c3c(c1)OCCO3)C2 30388225 IKQFGMHRGIQNBI-ZDUSSCGKSA-N 359.813 2.497 0 40 FEAB O=C1Cc2cc(C(=O)CSc3ncnc4nc[nH]c34)c(Cl)cc2N1 31809156 TWNGIKGEJHMGKH-UHFFFAOYSA-N 359.798 2.476 0 40 FEAB O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 33435654 QPLFQOXJGCNJOW-SFHVURJKSA-N 358.413 2.453 0 40 FEAB NC(=O)C1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 22240707 MQTVEIXDPSWNDG-UHFFFAOYSA-N 354.332 2.453 0 40 FEAB Cc1c([C@H](C)NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cnn1C 47006209 ZLJDDCHYOMZALJ-BPUTZDHNSA-N 350.463 2.159 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)C1 53502400 PQHOJUCQBTZEBF-CQSZACIVSA-N 372.469 2.288 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79056714 YGFVSEXCIMYTFU-HUUCEWRRSA-N 369.506 2.443 0 40 FEAB Cc1nc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)sc1C 79501893 MMWGXCAMCFOPCP-GFCCVEGCSA-N 368.484 2.185 0 40 FEAB CCOC(=O)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12 2314196 KZQDZCUWZMNSHE-UHFFFAOYSA-N 369.171 2.219 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N2CCCc3cccc(C)c32)CC1 53896332 FLCULSQEXQMSLB-UHFFFAOYSA-N 350.484 2.336 0 40 FEAB CC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1 42258509 NAPFVPHJKDJEGL-UHFFFAOYSA-N 373.839 2.488 0 40 FEAB CCC(=O)N1[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@@H]2CCCC[C@H]21 4740199 TYQWPORPLARDRY-OAGGEKHMSA-N 361.417 2.203 0 40 FEAB CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)OC)c(C)c2c1=O 958402 MKOKYSPXBYNZJO-SCZZXKLOSA-N 352.412 2.456 0 40 FEAB Cc1cc(NC(=O)C(=O)NCc2cccs2)ccc1N1CCCC1=O 10220940 TZRZMSWRFYBKPH-UHFFFAOYSA-N 357.435 2.438 0 40 FEAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 12520956 WUKHXZCEGZLQMG-ZHACJKMWSA-N 352.437 2.471 0 40 FEAB COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 10542642 ZTYMRTDHWTYZHA-UHFFFAOYSA-N 360.435 2.148 0 40 FEAB COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)NC(C)C 8475928 OZILJPGZJVPSRN-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB COc1ccc([C@@H](O)C2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 24763974 VHYPITBWNUAGTP-LJQANCHMSA-N 359.426 2.376 0 40 FEAB CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)o1 84741170 FKOHQXKNRWGBHI-AWEZNQCLSA-N 362.451 2.179 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)cc2c1OCCO2 57115558 LSTKUYMQNWJQMN-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57489842 BNXTUYKRAYVEBA-UHFFFAOYSA-N 371.462 2.437 0 40 FEAB CN(C)[C@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1Cl 27347966 ZPPBPJKMSJLVMT-GOSISDBHSA-N 373.884 2.418 0 40 FEAB CN1CCN(c2ncccc2CNC(=O)N(C)Cc2ccccc2)CC1 58289608 OXEPGDDKUMYFRM-UHFFFAOYSA-N 353.470 2.175 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc3ccccn23)C1 12793810 KMFIQYWHXVZEAV-WMLDXEAASA-N 364.405 2.275 0 40 FEAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1nnnn1Cc1ccc(C)cc1 100427259 LAOKZFPJYAVAHH-RTBURBONSA-N 368.485 2.051 0 40 FEAB C[C@H]1CCc2sc3ncn4nc(C(=O)NC[C@H]5CCCO5)nc4c3c2C1 2201111 REVSSVQOXSKYHU-WDEREUQCSA-N 371.466 2.373 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1F 57505036 XPSKLVAMLNLHCL-LLVKDONJSA-N 365.380 2.397 0 40 FEAB CC1CCN(c2ccccc2CNC(=O)c2nc3ncccn3n2)CC1 36618751 KEMYXCXBFWIGFB-UHFFFAOYSA-N 350.426 2.291 0 40 FEAB Cc1cc(C)n([C@@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)n1 36614720 PBSMVCRLUIPTOL-JTQLQIEISA-N 361.418 2.330 0 40 FEAB Cc1ccc([C@H](OC[C@H](O)CN2C(=O)CNC2=O)c2ccccc2)cc1 12878338 TYDWIGWMODGBBO-IEBWSBKVSA-N 354.406 2.014 0 40 FEAB COc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102087975 KCGNBHKAVIFZKA-UEFGCPDKSA-N 366.417 2.077 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3597363 UJDGPQRBVHBQCN-GFCCVEGCSA-N 353.806 2.254 0 40 FEAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(OC(C)=O)c1 3636389 JJRQBBPTBXXRDO-MRXNPFEDSA-N 374.418 2.435 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(OCC)cc2)C1 13148511 UWOQFBPMANMXKP-HZPDHXFCSA-N 351.443 2.100 0 40 FEAB Cc1ccccc1CN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 72230663 CAMZWHDZLBUANZ-UHFFFAOYSA-N 367.327 2.299 0 40 FEAB Cc1nc2sc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)c(C)c2c(=O)[nH]1 5311483 CQOOWVYTLOOACT-VIFPVBQESA-N 363.439 2.206 0 40 FEAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cn1 14117742 GQENVXCPPKWJJO-UHFFFAOYSA-N 363.439 2.210 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1cccs1 9337064 FAUAIFATLAZSHY-WDEREUQCSA-N 363.464 2.053 0 40 FEAB Cc1ccccc1-n1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cn1 66372226 SSZBOGZXHJXGBU-IBGZPJMESA-N 360.417 2.233 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)cc1 4815423 DOWXMQNALDMPSO-GFCCVEGCSA-N 366.414 2.448 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9447477 GRKHAPNWAMVUHU-CQSZACIVSA-N 352.431 2.015 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 7253166 NZFZHDKKBFHGSF-MRXNPFEDSA-N 359.813 2.292 0 40 FEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccccc1C 69131559 HBVGWHLEKUGFEN-UHFFFAOYSA-N 359.499 2.140 0 40 FEAB CCc1cnc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)s1 80832146 RFHMCPWEEITYHO-UHFFFAOYSA-N 354.453 2.297 0 40 FEAB CCCCn1c(N)c(N(CCC)C(=O)c2ccccc2F)c(=O)[nH]c1=O 7723749 XJISCAXZPUDEBG-UHFFFAOYSA-N 362.405 2.115 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 7842651 DALPFTPMPNIMSN-HNNXBMFYSA-N 369.421 2.103 0 40 FEAB CCNC(=O)[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)c2ccccc2O1 8163043 JSBTUGPWFZWZAR-SFHVURJKSA-N 354.406 2.377 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccc(C)o1 8344859 VNPSZLKIZDPIPF-UHFFFAOYSA-N 353.352 2.162 0 40 FEAB COc1ccc2c(C)c(CCC(=O)NCCc3c[nH]cn3)c(=O)oc2c1 8791903 RBRQZMXOXXRSLB-UHFFFAOYSA-N 355.394 2.125 0 40 FEAB biogenic CCOc1ccc(NC(=O)c2cnc(N3CCSCC3)nc2N)cc1 65154827 HPCFIFSYMIKCEP-UHFFFAOYSA-N 359.455 2.263 0 40 FEAB COc1ncccc1CN1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 306125042 CFMFPAVUCAFVCZ-FOIQADDNSA-N 352.438 2.360 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408593991 RFJLVJCJRRWULN-AWEZNQCLSA-N 356.488 2.447 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccsc1 25332400 ACUCSYPMMGWSOI-HOCLYGCPSA-N 359.499 2.174 0 40 FEAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408556407 IGWRKHZPPTYWDQ-HNNXBMFYSA-N 368.499 2.321 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cn1C 524733058 POOWPMRLWMGRCP-UHFFFAOYSA-N 351.406 2.139 0 40 FEAB NC(=O)c1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)n1 541012282 BEHSRDPOODGUBJ-UHFFFAOYSA-N 374.444 2.292 0 40 FEAB Cc1ncccc1Oc1nccnc1C1CCN(CC(=O)N(C)C)CC1 72383950 LGKOOQJFOTWVMJ-UHFFFAOYSA-N 355.442 2.240 0 40 FEAB Cc1ccc(N2CCN(S(=O)(=O)c3cnn(C(F)F)c3)C[C@@H]2C)cc1 36614779 QUPHBWXFAFMSRV-ZDUSSCGKSA-N 370.425 2.486 0 40 FEAB CS(=O)(=O)N[C@@H](CC(=O)NCc1cccnc1)c1ccc(Cl)cc1 225950321 IOIGTLRMFCSGRQ-HNNXBMFYSA-N 367.858 2.032 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(OC(C)C)c2)s1 225209534 ASNGGSNSKWPFMY-UHFFFAOYSA-N 370.456 2.475 0 40 FEAB CN1CC(=O)N(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2C1=O 40385956 AXSRTXDTHCUQRN-VQHVLOKHSA-N 364.357 2.074 0 40 FEAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NC(C)C)c3)n2)cc1 49005920 JHEJBRQYIWVMLV-UHFFFAOYSA-N 352.394 2.398 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N(C)CCN(C)C)[C@@H]31)O2 43286645 PAYTYWAMHPSKFB-RIYQWJRFSA-N 356.466 2.375 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96227474 DZKWCUBOYHKPBP-XLIONFOSSA-N 353.397 2.389 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96205800 UWOFRPMFEKXESY-XLIONFOSSA-N 355.438 2.401 0 40 FEAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)Cc3ccsc3)CC2)N1 96199959 JRHARMQEAWUWDK-INIZCTEOSA-N 355.463 2.351 0 40 FEAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239087 VPYMGQUXIDEUTE-IBGZPJMESA-N 359.426 2.005 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccncn2)C3)n1 247854457 CCMVNUGSBWSMMD-OAHLLOKOSA-N 356.451 2.097 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247886093 XBSUVKLTCOJROG-KRWDZBQOSA-N 355.463 2.322 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@](O)(CN(C)Cc3ccc(F)cc3)C2)cn1 257210659 BVPLFDAJZMCWMB-HXUWFJFHSA-N 357.429 2.238 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)n1 257304455 SLSNTGQMWDFWTQ-HNNXBMFYSA-N 354.414 2.002 0 40 FEAB O=C(O)C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 275208660 CBPOZYGHIKUQGE-LLVKDONJSA-N 363.382 2.206 0 40 FEAB CCc1cc(CC)c(S(=O)(=O)N2CC(=O)N(C)[C@@H](C)C2)c(CC)c1 1309435294 HVLWRZPQJPXDFH-ZDUSSCGKSA-N 352.500 2.225 0 40 FEAB CNC(=O)C[C@@]1(O)CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 644039867 RQGFPJVCRDGDSI-NGICGMGXSA-N 358.482 2.450 0 40 FEAB CCc1nn(C)c2n[nH]c(NC(=O)c3cc(F)ccc3N3CCOCC3)c12 674049307 XWICQSFNYSRMNM-UHFFFAOYSA-N 372.404 2.087 0 40 FEAB Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(C(F)(F)F)nc2C)n[nH]1 685941956 KAJGPNKNUJKLQA-CMPLNLGQSA-N 355.320 2.095 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159455 USOJXVMMXKYHJV-LJQANCHMSA-N 374.437 2.464 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)no1 1615153119 ALTOKAYEDSBPGA-LJQANCHMSA-N 355.394 2.021 0 40 FEAB O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159964 VZIDYFPFHWMZMF-IBGZPJMESA-N 358.369 2.457 0 40 FEAB CC(=O)N1CC2(CCN(Cc3cncn3C)CC2)C[C@H]1Cc1ccccn1 1615155013 JDXHGZXMMZOYPA-LJQANCHMSA-N 367.497 2.261 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2Cl)NC(=S)N1 5846055 RPESIWDVLZVEKI-AWEZNQCLSA-N 369.849 2.131 0 40 FEAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2[C@H](OC(C)=O)[C@@H]1NC(C)=O 5495516 SBCLCISXUZOHRT-HLXURNFRSA-N 361.438 2.378 0 40 FEAB CSc1nc2nc(C)c(CCC(=O)N3C[C@H](C)O[C@H](C)C3)c(C)n2n1 14201805 SGQCAIJYNMCKCP-PHIMTYICSA-N 363.487 2.031 0 40 FEAB CCCCS(=O)(=O)NCCCn1nc(C)c(Br)c1C 14247473 BDEGPTFSCHQSON-UHFFFAOYSA-N 352.298 2.372 0 40 FEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2S(C)(=O)=O)n1 19689637 DWHBJHGSNICIJI-OAHLLOKOSA-N 364.446 2.445 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCc3ncc(C)s3)C2)c1 19745667 HPAVDWBVGGLEGP-HNNXBMFYSA-N 373.478 2.281 0 40 FEAB COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 8169037 PXQCUUYKGLRXIM-XNTDXEJSSA-N 369.352 2.366 0 40 FEAB Cc1ccc(Nc2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nn2)cc1 4304161 RKZMJOOLAFZVAO-QGZVFWFLSA-N 367.453 2.356 0 40 FEAB O=C(O)c1ccc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)c(F)c1 630297277 DGBIXKKKNNXUIB-LBPRGKRZSA-N 351.374 2.182 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 1565542616 RJNYQWFNVCZPJC-UGKGYDQZSA-N 364.445 2.428 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCC2(C=C[C@@H](N3CCOCC3)CC2)CC1 1565549452 XEMXZQSNLQQVGT-LJQANCHMSA-N 373.472 2.423 0 40 FEAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(=O)NC3CC3)C[C@H]2C[C@@H]1O 2332242863 WIBKSUGQOZQOCJ-FTUNRGFVSA-N 354.454 2.461 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)nc1 40154800 APWYDIATIZEPDW-CQSZACIVSA-N 356.426 2.100 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccnc1)CC(O)=N2 40288142 OFLDECPDGVOMIS-ZDUSSCGKSA-N 360.381 2.445 0 40 FEAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 31812726 XNDNVIKHZPNHSZ-CYBMUJFWSA-N 372.450 2.411 0 40 FEAB COc1cccc(CN(C)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 32636385 CNQIQNHSXUTWRN-UHFFFAOYSA-N 373.453 2.154 0 40 FEAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(=O)[nH]n1 2725788 SDOPBCVYVSEZBL-UHFFFAOYSA-N 350.382 2.007 0 40 FEAB CN1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2)CC1 23133747 ZVTGSPSVLHEHFK-UHFFFAOYSA-N 367.449 2.391 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccn1 54223530 OEGDMPSKHASLGJ-GOSISDBHSA-N 373.478 2.037 0 40 FEAB Cn1cc(-c2ccnc(N3CCN(Cc4cccc(F)c4)CC3)n2)cn1 23478277 BSEFGWJDOXETSU-UHFFFAOYSA-N 352.417 2.338 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1OC(F)F 54531375 NMSWQXLIHCSKEW-UHFFFAOYSA-N 362.380 2.444 0 40 FEAB CC(C)(NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 58167826 AFBGBGYYKXINJY-UHFFFAOYSA-N 353.465 2.304 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)Cn2nc(C)c3ccccc3c2=O)c1 24973690 IWUZAMGREWJCTH-MRXNPFEDSA-N 352.390 2.347 0 40 FEAB C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1cccc(OCc2ccccn2)c1 55647881 AGJMYBFCTCMMBE-ZIAGYGMSSA-N 362.451 2.271 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c(C)o1 108530313 DKVGTTMYFNFCOO-OALUTQOASA-N 355.438 2.407 0 40 FEAB Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1 12582593 OUYTWFHTGCPDLP-UHFFFAOYSA-N 372.494 2.305 0 40 FEAB Cc1cccc(N2CCN([C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C 12554811 RWFWGLKFJBNCHL-SCTDSRPQSA-N 359.514 2.450 0 40 FEAB CNC(=O)c1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)C2CC2)cc1 44543632 HJVNWHPQKFILIX-LJQANCHMSA-N 366.417 2.377 0 40 FEAB COc1ccc(CCN2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)cc1 58179903 HGCAQPMIKLCHLE-MRXNPFEDSA-N 372.469 2.179 0 40 FEAB O=C(NCCc1nnc2n1CCC2)c1ccc(NC(=O)c2ccco2)cc1 58420740 CHDXXVRYHHVXSQ-UHFFFAOYSA-N 365.393 2.042 0 40 FEAB Nn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1C1CC1 3355243 KIWZGJUHFUQASS-UHFFFAOYSA-N 370.463 2.384 0 40 FEAB CN1C(=O)C(=NNc2c(Cl)cc(Cl)cc2Cl)C(=O)N(C)C1=O 105001387 ZBJQFZOGLNKEBU-UHFFFAOYSA-N 363.588 2.465 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)N[C@@H]1CCc2ccccc21)C(F)(F)F 48366731 VAHSAMSHHZGGEE-CJNGLKHVSA-N 353.344 2.364 0 40 FEAB Cc1ccc(O)c(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c1 25124247 QJRJVRACLKIYFX-UHFFFAOYSA-N 362.451 2.026 0 40 FEAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11565966 XWNITARIZYABIN-UHFFFAOYSA-N 354.472 2.027 0 40 FEAB CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 8974693 IMYDKAGNDDQJCW-GEDNVKPRSA-N 359.401 2.214 0 40 FEAB CCN(CC(=O)Nc1ccc(Br)cc1F)CC(=O)NC(C)C 3429948 FQRZCLVMSZWJEF-UHFFFAOYSA-N 374.254 2.373 0 40 FEAB C[C@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 84838517 LXYPOCRZLVXXGB-LBPRGKRZSA-N 354.447 2.002 0 40 FEAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)O)cc1 22233363 NZTZBYFTJBFBNJ-UHFFFAOYSA-N 353.371 2.255 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 3531952 CNNGZNRWEAELMM-MGPLVRAMSA-N 350.444 2.218 0 40 FEAB COc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)c(C(N)=O)cc1OC 63609055 LLJQJUVPFQORHD-UHFFFAOYSA-N 361.373 2.260 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 13986969 UJXCMRSLAFEJJE-KRWDZBQOSA-N 358.438 2.380 0 40 FEAB O=C(OCCN1C[C@@H]2CC[C@H](C1)O2)c1ccccc1OC[C@@H]1CCCO1 96012749 AGLFVMNSDTYCQJ-BBWFWOEESA-N 361.438 2.264 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 14241646 ZTXYLQJWVRNLAL-UHFFFAOYSA-N 360.435 2.067 0 40 FEAB CS[C@]1(NCCc2ccc(F)cc2)NN=C(c2ccccc2)C(=O)N1 19796795 WZVBIZFWCCVCGP-SFHVURJKSA-N 358.442 2.056 0 40 FEAB Cc1cccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c1C 4682318 INOIZSRMWNURHT-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)COc2cccc3cccnc23)cc1 7063074 MVASYFOAGUQJMC-UHFFFAOYSA-N 371.418 2.160 0 40 FEAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(OC)cc2)n1 15859844 LVJVTNGCLCHFFU-UHFFFAOYSA-N 356.787 2.151 0 40 FEAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C 71841170 GRXJVVDUUNWZHK-INIZCTEOSA-N 362.474 2.206 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccccc2O)CC1 16481452 DNHVHCKJXNFBSP-MRXNPFEDSA-N 351.450 2.492 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 8361572 SKVMRIUOOZYFDU-UHFFFAOYSA-N 359.378 2.429 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 18177221 XXIOLKQYJAUVJF-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB CC(C)(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C[C@@H]1O 95993558 BUJOZRWSCWJQEM-HIFRSBDPSA-N 372.462 2.066 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408675368 HWAUJRYTDDKZBF-UHFFFAOYSA-N 352.387 2.060 0 40 FEAB CCOCCOC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 21713036 NMRSNINRYPUHFL-UHFFFAOYSA-N 350.440 2.376 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1cccs1 32988775 BBRMCHYFYDNLPN-MRXNPFEDSA-N 366.508 2.410 0 40 FEAB COc1ccc(NS(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 408723055 ZDTKZFQSQYQERP-UHFFFAOYSA-N 360.391 2.149 0 40 FEAB COc1ccc2cc(NC(=O)COc3cn(C)c(C)cc3=O)cnc2c1 79190928 PQJGWYSNIAVSTH-UHFFFAOYSA-N 353.378 2.268 0 40 FEAB biogenic CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NC(C)C)C1=O 72343103 NJZDWZFHMLGVKX-BEFAXECRSA-N 372.421 2.390 0 40 FEAB COC(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 32126851 UYZKEHTUJXLMOD-UHFFFAOYSA-N 358.375 2.329 0 40 FEAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(F)c32)n(C)c1 182512579 MPQSSXZRDUXGMM-UHFFFAOYSA-N 365.430 2.008 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 79440287 MYVIGGGVAAROKN-CZUORRHYSA-N 362.426 2.342 0 40 FEAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Br)cc1 218209089 HWYPYRVZECPIFU-IHRRRGAJSA-N 362.289 2.084 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)N1CCCC1 225202686 OMEGLCXYWFWBCD-ZDUSSCGKSA-N 354.472 2.254 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCN(C[C@H](O)c2cccs2)CC1 49031250 XSNBCAXEMQFVII-HNNXBMFYSA-N 374.491 2.244 0 40 FEAB CCN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccccc1 226053835 LHPNBARLSYMXNG-UHFFFAOYSA-N 360.435 2.123 0 40 FEAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(OC)c(C)c1 226076783 PDNAEAUCMYZTPW-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 226002113 UDUFYBRUZNWLTH-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106757 KYYGOOMTUNIAFV-SFHVURJKSA-N 353.422 2.457 0 40 FEAB Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC23CCOCC3)cc1C(=O)O 581432714 HTRVXIZQWLYHCD-LLVKDONJSA-N 373.858 2.442 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)[C@@H]1CC=CCC1 96044458 GWKSRSNZKHIFJX-AEFFLSMTSA-N 359.470 2.396 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)C3)ncc2C1 247951390 QQQRHZSGJRICLF-ITQYTPKQSA-N 368.481 2.133 0 40 FEAB Cn1cncc1-c1cncc(CC2CCN(C(=O)c3ccncc3)CC2)n1 257329153 XISYTUNYQGPYMB-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc3cccc(F)c3o2)CC1 607898176 PINMLLRHTZZMDC-OAHLLOKOSA-N 359.401 2.126 0 40 FEAB NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@@H]3COC4(CCC4)C3)c2)C1 657876738 MWSIFZRNTISLRJ-MOPGFXCFSA-N 357.498 2.185 0 40 FEAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12)c1ccccc1 100354756 RDYMIHWYFYTXOE-CZUORRHYSA-N 354.749 2.467 0 40 FEAB biogenic COc1ccc2c(c1)[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)CCC2 655596129 BAJOYTUAKWYSRE-AEFFLSMTSA-N 354.406 2.322 0 40 FEAB O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1nccs1 55032085 JJOQVWHSTNVEQQ-UHFFFAOYSA-N 359.455 2.368 0 40 FEAB COc1cc(CNC(=O)NCCNc2ncccc2C(F)(F)F)ccn1 56385691 SHVFQJIZJMRMKF-UHFFFAOYSA-N 369.347 2.415 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CN1Cc2ccccc2C1 84765596 PJWUTWMRMOEVHK-UHFFFAOYSA-N 367.449 2.498 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200038 FJQADFLUKYALMT-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CC[C@@H]1C2 13320709 ARQDFFWTCTZARQ-MVJTYMMSSA-N 360.429 2.217 0 40 FEAB Cc1nc(SCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)[nH]c(=O)c1C 15022387 OQRGQANHGDQGOS-UHFFFAOYSA-N 367.814 2.469 0 40 FEAB Cc1nn(-c2ccccc2)c(=O)c2c1[C@H](c1ccccc1)n1nnnc1N2 15079679 ZKJHWGAWTSLMDS-KRWDZBQOSA-N 357.377 2.222 0 40 FEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1 16575232 FAGGCJRXWQHQQF-AWEZNQCLSA-N 354.472 2.011 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)o1 19692442 URPVDVMLHCQIRC-KRWDZBQOSA-N 365.393 2.357 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)c2c(N)n[nH]c2n1 19695522 LCTFZZXVPOOCFI-JTQLQIEISA-N 357.336 2.259 0 40 FEAB COC(=O)[C@@H]1CCn2c(nnc2-c2ccc(OC)c(Br)c2)C1 601044002 FUVBIDJNJLXLPH-SNVBAGLBSA-N 366.215 2.452 0 40 FEAB O=C(c1cccs1)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 521396691 PBKFRRJMAHAXDE-ZDUSSCGKSA-N 368.480 2.313 0 40 FEAB CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 670377075 SMASRYKRZXMIHX-ZIAGYGMSSA-N 357.410 2.325 0 40 FEAB O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 19402138 OVVVMVHKIDIVMD-KRWDZBQOSA-N 355.438 2.099 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)nn1 1888856556 TVUGIQMBDUOLCA-HZPDHXFCSA-N 351.454 2.378 0 40 FEAB O=C1CN(C2CCN(c3ncncc3F)CC2)C(=O)N1c1ccccc1 1888866557 LCFZOQIYNBBKMH-UHFFFAOYSA-N 355.373 2.053 0 40 FEAB CCc1ncnc(OCC2CCN(c3ncnc4ncn(C)c34)CC2)c1F 1888897643 LBTIDYOSZNNFLP-UHFFFAOYSA-N 371.420 2.150 0 40 FEAB O=C(c1cnc2ccccc2n1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888906849 SIJAGAMGACYYRV-BETUJISGSA-N 351.435 2.295 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCC1CCCCC1 12422959 JFMKXKQQKTYBKS-UHFFFAOYSA-N 374.466 2.323 0 40 FEAB Cc1cc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)n(C)n1 13614591 UGWLMQSCWNDLOW-UHFFFAOYSA-N 351.322 2.137 0 40 FEAB O=C(NC1CC1)C1(Nc2cccc(F)c2)CCN(Cc2cn[nH]c2)CC1 2055745611 NTVTXWCQQUDMBP-UHFFFAOYSA-N 357.433 2.274 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccc(F)c1 22767339 RNSYGJIEHMEQLG-INIZCTEOSA-N 370.471 2.239 0 40 FEAB O=S(=O)(Cc1cccc(F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 501990761 RQAMFTYOHTYEBT-UHFFFAOYSA-N 372.425 2.471 0 40 FEAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)c1c(n(C)c(=O)n(C)c1=O)N2 72402802 LKUXUJBDKRYUJO-OAHLLOKOSA-N 365.437 2.476 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 40159634 YYWHOFVTGVAWMO-ROUUACIJSA-N 369.465 2.090 0 40 FEAB COc1ccc(CNC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1OC 20426736 RHYVTKQPJABCDO-UHFFFAOYSA-N 373.800 2.263 0 40 FEAB Cc1noc([C@H](C)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 52100295 SLGIGPNEPCPIOU-ZDUSSCGKSA-N 353.426 2.307 0 40 FEAB CCOC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c1 32776932 QZGVTQRNOQECSD-VIFPVBQESA-N 362.304 2.479 0 40 FEAB Cn1nc(C(=O)NCc2cccs2)cc1C(=O)NCc1cccs1 2797984 BTNMFKUPFJJCLZ-UHFFFAOYSA-N 360.464 2.403 0 40 FEAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCOCC3)n12 877084 HDANKCWAHAQGNF-UHFFFAOYSA-N 356.451 2.450 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 22693878 XMFLYOZNHOHIFA-HNNXBMFYSA-N 360.458 2.433 0 40 FEAB Cc1cccc(Cn2nc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc2C)c1 2731147 AOALFSXXHFNACC-LVYXFOGZSA-N 351.406 2.215 0 40 FEAB C[C@@]1(c2cccc(NC(=O)CSCc3cccnc3)c2)NC(=O)NC1=O 53810572 HYRKOWCMFGOUQM-SFHVURJKSA-N 370.434 2.008 0 40 FEAB CCOC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 4776913 YACNRPRQKVWBII-PMPSAXMXSA-N 359.426 2.283 0 40 FEAB COCCCn1nnnc1SCC(=O)Nc1nc2ccccc2s1 4883437 PRIWTUNVESTKCW-UHFFFAOYSA-N 364.456 2.050 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42467966 VDZQYRZZVDDTDL-MRXNPFEDSA-N 373.453 2.002 0 40 FEAB CCN1CCC(N(C)S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 47593993 RAXIPLLELVRQEN-UHFFFAOYSA-N 370.515 2.125 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 7911077 VWPCRBDUJCVOPP-UHFFFAOYSA-N 370.434 2.389 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccncc1 7985926 KXPOAZDEVAVDHU-UHFFFAOYSA-N 362.227 2.280 0 40 FEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 23718883 FTXYKNRFNAVXSO-SJCJKPOMSA-N 370.430 2.446 0 40 FEAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298425 YEDIUJVJBDYUGN-BMFZPTHFSA-N 374.514 2.426 0 40 FEAB biogenic,in-vitro COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 3235698 QTDIBNOBGQOXRK-UHFFFAOYSA-N 374.418 2.312 0 40 FEAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1OC 9170534 RAHKKAUJSSZQFY-UHFFFAOYSA-N 370.405 2.349 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12622686 YJBICDKQGLDXQD-RYUDHWBXSA-N 364.804 2.389 0 40 FEAB CCOC(=O)c1nnc2c(-c3ccccc3OC)c(COC)nn2c1C 21006138 WMACBYNVPJTKTA-UHFFFAOYSA-N 356.382 2.431 0 40 FEAB Cc1nc2ccccc2n1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 57911690 HLQMLIBSSJCGJG-UHFFFAOYSA-N 358.348 2.378 0 40 FEAB COc1cc(C(=O)NCCN2CCOCC2)ccc1OCc1ccccc1 12728933 MMYDZPZVYFWKCM-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc(C)on1 58289517 BYPMOMIHPLRALI-CYBMUJFWSA-N 360.414 2.279 0 40 FEAB C[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 12761814 IYLIAPDVVAWFHG-SJCJKPOMSA-N 373.840 2.270 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)ccc21 10390871 JKZYKTMWCMGTII-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(N)=O)cc1)cn2C 22237274 RIFWRSOCIYIXLI-UHFFFAOYSA-N 365.389 2.288 0 40 FEAB O=C(c1ccc(CN2CCN(c3ncccn3)CC2)cc1)N1CCCC1 28707528 AVTLDLLTDRPGTD-UHFFFAOYSA-N 351.454 2.035 0 40 FEAB CCn1cc(CN2CC3(C[C@@H](CCOc4nccc(C)n4)CCO3)C2)cn1 306142494 XASWVVAXFBPXQQ-KRWDZBQOSA-N 371.485 2.452 0 40 FEAB Cc1ccc(-c2nnc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)o2)cc1 46054917 RYMIAHTZIZSBSQ-QGZVFWFLSA-N 370.453 2.116 0 40 FEAB CC(C)NC(=O)CNC(=O)c1csc(COc2ccc(F)cc2)n1 29545017 KKJBLPJSPDXQQN-UHFFFAOYSA-N 351.403 2.116 0 40 FEAB Cc1ccc(OCCNC(=O)NCCNC(=O)c2ccccc2)c(C)c1 29724152 OSHGGWKADXDIBP-UHFFFAOYSA-N 355.438 2.411 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1OC(F)F 3573434 XSKHCXCTXSCESN-UHFFFAOYSA-N 370.333 2.244 0 40 FEAB O=C(COc1ccccc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 5070150 ILLSBTKKJARUEM-AWEZNQCLSA-N 365.476 2.343 0 40 FEAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N(C)c1ccccc1 39571258 QMAFASMRXGLNHW-ZDUSSCGKSA-N 361.419 2.298 0 40 FEAB COC(=O)[C@@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 19298560 XOWMBODYGZRJNF-INIZCTEOSA-N 362.403 2.302 0 40 FEAB CCOc1ccc2nc(NC(=O)C[C@H]3CCS(=O)(=O)C3)sc2c1 4392415 WTSJDKYDWSQYBG-SNVBAGLBSA-N 354.453 2.458 0 40 FEAB Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)sc2ccccc12 13987103 LQEMBWWNAPCYHI-UHFFFAOYSA-N 357.479 2.246 0 40 FEAB Nc1nonc1C(=O)NCCNCc1ccc(-c2cccc(Cl)c2)o1 4488477 KUJIJSFNKIFOOX-UHFFFAOYSA-N 361.789 2.085 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c1C 14021560 PWAFCOMVMKKIFO-CYBMUJFWSA-N 350.415 2.366 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1C 14098631 FOHFHEHTTMCXBY-HOTGVXAUSA-N 354.516 2.470 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 14160225 WKYMBDXJOFQLHU-UHFFFAOYSA-N 358.423 2.410 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 14166681 LOUUWEYWABOJCA-OAHLLOKOSA-N 363.421 2.100 0 40 FEAB CC(C)Oc1ccccc1CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66480675 GBOFPEZTZPFILI-SFHVURJKSA-N 374.481 2.256 0 40 FEAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 6859767 LDDPEFQPEKSDPY-GFCCVEGCSA-N 363.414 2.184 0 40 FEAB COc1ccc([C@@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c(OC)c1 7740292 MARMKVRBQFKCHK-INIZCTEOSA-N 363.458 2.323 0 40 FEAB Cc1ccc(N2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 7996606 ACYDKRROJHNTGT-ZWKOTPCHSA-N 356.447 2.014 0 40 FEAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ncccn2)CC1 7955646 XWQOLMKBIJCEEZ-AWEZNQCLSA-N 358.829 2.030 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 71802767 GIHMFVRBLIRJHS-INIZCTEOSA-N 370.449 2.432 0 40 FEAB C[C@H]1CN(CCCNC(=O)[C@@H]2CCN(C3CCCCC3)C2)C[C@@H](C)O1 72312741 CFVLQHHLWALZAP-FGTMMUONSA-N 351.535 2.257 0 40 FEAB COC(=O)C1CCN(CCCSc2nnnn2-c2ccccc2)CC1 95468084 JSBYKPDEWZWHNR-UHFFFAOYSA-N 361.471 2.030 0 40 FEAB Cc1nnc([C@H](C)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)s1 95940060 FYLOHZIGFWAHNI-LRDDRELGSA-N 360.483 2.407 0 40 FEAB Cn1c([C@@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)nc2ccccc21 75104894 LSNKPDRFGRGEBL-INIZCTEOSA-N 369.469 2.431 0 40 FEAB C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@@H](C)O1 89930220 XJISTFBNMASBDG-GHMZBOCLSA-N 368.817 2.076 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)s1 306125693 CYGPGIWAZFPRHR-JGGQBBKZSA-N 363.508 2.390 0 40 FEAB C[C@@H](c1cccc(S(N)(=O)=O)c1)n1c(=S)[nH]c2ccccc2c1=O 39985767 NZRKUYMXYBLCES-JTQLQIEISA-N 361.448 2.316 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327610 SHIDHQNHTZUCRD-JLTOFOAXSA-N 358.438 2.316 0 40 FEAB Cn1nc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl 71195666 CFRGBEJXOVYGGY-LBPRGKRZSA-N 356.817 2.462 0 40 FEAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)NCCC1=CCCCC1 62021490 IOHDJINBMIHPBF-OAQYLSRUSA-N 358.482 2.493 0 40 FEAB COc1ccc(CCN2CCN(c3nc(C)cc(N(C)C)n3)CC2)cc1 67383729 QOVKXBQJJCKWED-UHFFFAOYSA-N 355.486 2.224 0 40 FEAB COc1coc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1=O 79489336 AOYDFLMTHDSAMC-UHFFFAOYSA-N 363.797 2.426 0 40 FEAB COc1ccc2c(CC(=O)NC[C@H]3CC[C@@H](C(=O)O)CC3)cc(=O)oc2c1 217541721 LBLFHHDKTGQRRO-JOCQHMNTSA-N 373.405 2.351 0 40 FEAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72360068 UIZGRENQIMOYAR-INIZCTEOSA-N 368.485 2.500 0 40 FEAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccccc3F)cc2C1 40647410 BIEPOUNUTALPSF-UHFFFAOYSA-N 362.426 2.209 0 40 FEAB CC(C)n1cc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)cn1 227161278 ALWAWXWHJCVFOL-UHFFFAOYSA-N 358.377 2.412 0 40 FEAB CN1CCN(CC2(C)CCN(C(=O)c3cnc4cnccc4c3)CC2)CC1 328668652 LOQUJXVULVFJGR-UHFFFAOYSA-N 367.497 2.120 0 40 FEAB COc1cccc(N([C@@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 220176037 CEVFMAODVORSAQ-AWEZNQCLSA-N 374.462 2.439 0 40 FEAB O=C(NCc1ccc2c(n1)CCCC2)N1CCN(Cc2cscn2)CC1 570909607 ADISPAAMHNLYEK-UHFFFAOYSA-N 371.510 2.444 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 46466615 RUMPJKSFOBBBJG-CYBMUJFWSA-N 350.415 2.151 0 40 FEAB O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCN(c2ccccc2)CC1 225751975 GVWOBALUQRUUFQ-UHFFFAOYSA-N 365.408 2.489 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1cccs1)C1CC1 77173546 CLNFFXUAEUILKF-SFHVURJKSA-N 358.419 2.070 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1Cl 96121112 BHQBGFBLTCBMDT-UHFFFAOYSA-N 350.781 2.036 0 40 FEAB CC(C)n1cnc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn23)c1 96154996 ZOASOWNPPZMKCN-UHFFFAOYSA-N 352.442 2.166 0 40 FEAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCCCO1 96057286 SPDCWFVVPRBWRG-INMHGKMJSA-N 350.484 2.387 0 40 FEAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)no1 96042859 RNEIXRJFLCQPAF-BMGDILEWSA-N 356.426 2.305 0 40 FEAB COc1ccc(CCc2nc(NC(=O)c3[nH]nc4c3CCC4)n[nH]2)cc1 95477447 ZTMQOPAUJPCSSZ-UHFFFAOYSA-N 352.398 2.063 0 40 FEAB O=C(C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 247882607 WDXNOCSZTHTQPM-QGZVFWFLSA-N 368.437 2.181 0 40 FEAB Cc1nc(COC[C@@H]2CCOC23CN(C(=O)c2ocnc2C)C3)cs1 248071852 YTJWNGBOFMOSFO-ZDUSSCGKSA-N 363.439 2.196 0 40 FEAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(CC(=O)N(C)C)C1 257236434 HCELTPCZAISMST-OAHLLOKOSA-N 354.458 2.191 0 40 FEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cccc(OC)c2)CC1 257235668 GYVUYDLKKSOJEJ-QUCCMNQESA-N 373.497 2.159 0 40 FEAB Cc1c([C@@H]2[C@@H](C(=O)NCC3=CCCCC3)CC(=O)N2C2CC2)cnn1C 615469084 PINCDZRTMNRXBC-LPHOPBHVSA-N 356.470 2.397 0 40 FEAB O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1C[C@@H]1CCCO[C@H]1c1cn[nH]c1 629495925 WNMGWQQABPHEIJ-PEHHYFEISA-N 358.442 2.473 0 40 FEAB O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1OC(F)F 673342917 LTTHRYXOKSXQOF-VIFPVBQESA-N 367.801 2.496 0 40 FEAB CO[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cccc(N(C)C)c1)C(C)C 1775992517 SMKVDOCCMQWHSR-WJFTUGDTSA-N 373.497 2.285 0 40 FEAB C[C@@]1(N2CCOCC2)CCN([C@@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776578837 IZFBIKXHEDYSOX-NVXWUHKLSA-N 356.825 2.401 0 40 FEAB CC(C)N1CCN([C@@H]2CCN(C(=O)Cc3cccc4cnccc34)C2)CC1 599662629 NGCHIDKGLOUTJZ-HXUWFJFHSA-N 366.509 2.404 0 40 FEAB CCCn1cc(C(=O)N2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)cn1 585277257 LMBQTRAZWKTOQA-FQEVSTJZSA-N 357.454 2.048 0 40 FEAB Cc1cc(C)n2nc(CCCOC(=O)c3nc(C)n4c3CCCC4)nc2n1 79105354 ITVWNBSWNACRMB-UHFFFAOYSA-N 368.441 2.372 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N2CC[C@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120103 DBXPANMIHDFFLP-INIZCTEOSA-N 366.483 2.002 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCCOc1ccc(F)cc1 5873661 WOPFVAFRQZZEGS-UHFFFAOYSA-N 364.373 2.002 0 40 FEAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 12651220 TWGNKJBCEYRTOU-UHFFFAOYSA-N 367.793 2.470 0 40 FEAB CCCc1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)no1 19525316 KBARJZLCOJIYEW-AWEZNQCLSA-N 369.469 2.425 0 40 FEAB Cc1c(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)cnn1C 19715523 BONDLFKYAYSUHC-HNNXBMFYSA-N 366.469 2.433 0 40 FEAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)C(C)(C)C)CC3)C2=O)cc1 17041246 KHUINGJVXIVOIW-UHFFFAOYSA-N 357.454 2.454 0 40 FEAB Cc1ccc(NCCC(=O)N2CCOC[C@H]2c2ncnn2C)cc1Cl 585082084 ARMOXVNVWNZUKR-HNNXBMFYSA-N 363.849 2.179 0 40 FEAB COc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1 5018582 ICRZOAJAHYTPHY-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(S(=O)(=O)c2cccnc2)C3)nc1 1888869557 WNLUZWYVDJRUOU-MAUKXSAKSA-N 374.466 2.050 0 40 FEAB O=C(CN1CCC[C@@H](C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1 1888930505 NDJSIDMLVBTLEM-CQSZACIVSA-N 365.474 2.052 0 40 FEAB CCOC(=O)N1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 22010327 ZLCADXQNJWDUFF-ZDUSSCGKSA-N 371.445 2.033 0 40 FEAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc3ncccn23)CC1 2037834953 LGOCJOHMQYLYLU-OAHLLOKOSA-N 350.426 2.377 0 40 FEAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 2037971239 GDGWNTVQVAASNE-GSPCLOLRSA-N 363.457 2.349 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CC(C)C)C1 2055751257 AZJIBDAICAUHCN-FQEVSTJZSA-N 361.486 2.268 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nnc(C3CC3)s2)CC1 23140859 KNXZQYIRSLOKKW-UHFFFAOYSA-N 367.500 2.324 0 40 FEAB O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)NCc2cccs2)C1 49028097 BBELKZMSBBVLQX-AWEZNQCLSA-N 358.467 2.381 0 40 FEAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccc2c(c1)OCO2 575613871 XFLSQQFILDECKI-NRFANRHFSA-N 369.417 2.460 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)/C=C/c1cccnc1 24666635 IRYLUMAAAHSLAX-IJDCCNJMSA-N 353.447 2.313 0 40 FEAB O=C(CCC(=O)NC[C@H]1COc2ccccc2O1)NCc1ccccc1 20726267 AUVOMFAZCFVMJU-INIZCTEOSA-N 354.406 2.039 0 40 FEAB C[C@@H]1CN(C(=O)CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CCO1 52638658 UGJYAUNWMFBOFK-TYFHEEPYSA-N 373.280 2.131 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(O)cc3C2)cc(C)c1C 41661260 YPCNSZSZJJCGIQ-UHFFFAOYSA-N 374.462 2.116 0 40 FEAB COc1ccc([C@H]2N(c3ccc(NC(C)=O)cc3)C(=O)CS2(=O)=O)cc1 1088746 XPDQWUXGEJTGCJ-SFHVURJKSA-N 374.418 2.114 0 40 FEAB CCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2094504 LGRLFDAKTSTCQD-AWEZNQCLSA-N 361.394 2.412 0 40 FEAB biogenic NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccc1 2644797 XVRMNALUVGTSDV-HNNXBMFYSA-N 360.797 2.057 0 40 FEAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@@H]1CCCO1 2778600 LZNFDTKKZQEAQH-RQJHMYQMSA-N 370.169 2.499 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 3208323 LPAJLXOUUPHYBD-CYBMUJFWSA-N 356.513 2.407 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O 3595269 MGWMKTCBEVYXCG-QGZVFWFLSA-N 351.834 2.413 0 40 FEAB CCc1nc(SC/C=C/c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138865 XBAXKUZDFPYCGA-DHZHZOJOSA-N 368.462 2.395 0 40 FEAB CCCn1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 4250963 DHKUHJRJDJIJDJ-UHFFFAOYSA-N 365.437 2.225 0 40 FEAB Nc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 4678282 YNZKRWKMDABPIU-UHFFFAOYSA-N 369.903 2.215 0 40 FEAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 6596799 DKXYDMDXTXWNJT-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB COCc1c(C(=O)OCC(=O)N2CCCC2=O)sc2cccc(F)c12 6850998 BYDVHRBXOOPINQ-UHFFFAOYSA-N 365.382 2.493 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)N(C)C1=S 6963661 JBRKFYITUSGNOU-WJDWOHSUSA-N 373.478 2.168 0 40 FEAB CCOc1ccccc1OCC(=O)OCC(=O)NCc1ccccc1OC 8139115 YJTCDDZIHYLQMV-UHFFFAOYSA-N 373.405 2.332 0 40 FEAB COC[C@@H](C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8478657 BKQFALNQBSWONK-GFCCVEGCSA-N 362.879 2.037 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 8502969 IPBZMTZNGKIHOH-IBGZPJMESA-N 364.409 2.204 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)NCCc3ccccc3)ccc21 8587130 PYCYDYXHXHWTSZ-UHFFFAOYSA-N 358.463 2.371 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc2c(c1)OCO2 8924374 OHBGITCTZQRHLL-UHFFFAOYSA-N 365.389 2.243 0 40 FEAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)N2CCc3ccccc32)nc1N 9146969 ODZYENRGCWKMSU-NSHDSACASA-N 372.450 2.305 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCCCC2)c1C 9313899 CEQIUZBRUGSBFR-UHFFFAOYSA-N 350.415 2.368 0 40 FEAB COc1ccccc1C(=O)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 9900854 RHTTTXXJZPZOSB-UHFFFAOYSA-N 363.417 2.491 0 40 FEAB O=C(/C=C/c1ccccc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251225 PKXWUAIXOHBVSC-VAWYXSNFSA-N 357.373 2.366 0 40 FEAB O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc(CN2C(=O)CNC2=O)cc1 11320569 ASEPLJUKAOHECZ-NSHDSACASA-N 357.193 2.089 0 40 FEAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(c2cnccn2)CC1 11545521 QIDMGKUCHPZQMS-AWEZNQCLSA-N 358.829 2.030 0 40 FEAB Cc1ccc(C2(O)CCN(CCNC(=O)c3scnc3C)CC2)cc1 12326444 NTALKKKXUNXQBG-UHFFFAOYSA-N 359.495 2.473 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCN1C(=O)COc2ccccc21 12544577 NKGPESUFXIEIGW-UHFFFAOYSA-N 364.405 2.337 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 12562306 WJCYHXNTYNTQNN-JTQLQIEISA-N 356.382 2.313 0 40 FEAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc2c(c1)OCCO2 12782589 UFVAVECUNZPTHI-CYBMUJFWSA-N 365.389 2.045 0 40 FEAB CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 13009481 GCFFBAXOWIPSMZ-CQSZACIVSA-N 374.470 2.467 0 40 FEAB C[C@@H]1CN(Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)CCO1 14135345 KEDJWTJPDMMLJJ-DOMZBBRYSA-N 362.455 2.142 0 40 FEAB CCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=S)n1-n1cccc1 16777849 YLWSFCDBMOTXQM-UHFFFAOYSA-N 371.422 2.457 0 40 FEAB COc1ccc(CCNC(=O)[C@@H](C)n2nnc3ccccc32)cc1OC 16898267 NUWVBVDBFQTGEI-CYBMUJFWSA-N 354.410 2.368 0 40 FEAB O=C(COc1ccccc1)NCc1ccc(-c2ccnc3ncnn23)cc1 19373496 AOPNOHLUBJEOIX-UHFFFAOYSA-N 359.389 2.487 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1ccoc1C 19429106 BEHKBIAWAZZQNE-UHFFFAOYSA-N 363.366 2.087 0 40 FEAB CCN1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 19528065 FTHYMYYUQZZRCL-HXUWFJFHSA-N 362.481 2.448 0 40 FEAB O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccccc1-n1ccnc1 19658528 SPTWTEBSOQDIEU-MRXNPFEDSA-N 350.426 2.172 0 40 FEAB Cc1cnc(C(=O)N2CCC(Cc3cc(N(C)C)nc(C)n3)CC2)cn1 19758497 BOVBHUPGZMSYMJ-UHFFFAOYSA-N 354.458 2.044 0 40 FEAB Cc1c(C(=O)OC(C)C)sc2ncnc(NCCN3CCOCC3)c12 19793932 FTAMGPJCCJSKOJ-UHFFFAOYSA-N 364.471 2.309 0 40 FEAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)c1 23157835 OTHPCSVWEPTVPX-HNNXBMFYSA-N 374.466 2.360 0 40 FEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24677707 SCOKTEOLPONLMK-JSGCOSHPSA-N 374.890 2.038 0 40 FEAB C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2 25029012 FKVZZFDYBLNWSJ-CQSZACIVSA-N 370.405 2.370 0 40 FEAB O=C(Nc1ncnc2nc[nH]c12)NC1(C(F)(F)F)Oc2ccccc2O1 26771053 FAFWTKGWUHOMFP-UHFFFAOYSA-N 366.259 2.162 0 40 FEAB COc1cc(OC)cc([C@H](NC(=O)c2cnc(C)cn2)c2nccn2C)c1 29987291 HYWLDLRLUZGEOK-KRWDZBQOSA-N 367.409 2.055 0 40 FEAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 31811049 SXGRUICSQGRBMA-INIZCTEOSA-N 362.817 2.283 0 40 FEAB CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(OC)c(Br)c1 38068621 UDIHGJAKLGVOSL-SNVBAGLBSA-N 357.248 2.492 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 45476784 BMVSPAMYRDGTEA-INIZCTEOSA-N 370.453 2.068 0 40 FEAB CCCN(CCC)S(=O)(=O)NC[C@H](c1ccccc1)N1CCOCC1 46799625 JQPYRKZUDSJNHT-GOSISDBHSA-N 369.531 2.016 0 40 FEAB CC(C)N(CCCNC(=O)c1ccc2c(c1)CCCC2)S(C)(=O)=O 47043886 ILDJJTAHQZZAID-UHFFFAOYSA-N 352.500 2.355 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 50424316 NUEHJRWKECJHKD-HNNXBMFYSA-N 350.422 2.274 0 40 FEAB CC(=O)N1CCCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 52999036 BZKFVDMCHOXWDP-UHFFFAOYSA-N 353.422 2.355 0 40 FEAB COc1ccc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 53464142 LKNFPSWZGAZZRI-HLLBOEOZSA-N 363.483 2.037 0 40 FEAB biogenic O=C(CN1CCC(NC(=O)NC2CCCCC2)CC1)Nc1nccs1 55028989 XOJDEULTDLQLSK-UHFFFAOYSA-N 365.503 2.178 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)NC1CCN(C(=O)c2ccco2)CC1 55233909 ZPLOOHXPLMMYSV-UHFFFAOYSA-N 354.406 2.178 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc2c1OCCO2 55685533 OCSVHMNVUTVXNY-UHFFFAOYSA-N 355.393 2.107 0 40 FEAB COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 58209167 GDUSRYDAHBWNFF-QRWLVFNGSA-N 368.433 2.478 0 40 FEAB CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(-c3ccc(N)cc3)n2)CC1 64875559 UGMRLDYUONEMKT-UHFFFAOYSA-N 358.446 2.107 0 40 FEAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985936 KUPLNBVVBQEXIK-QGZVFWFLSA-N 360.435 2.006 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@H]1c1ccccc1 67615657 RFKZJXKPCBSTCV-JKSUJKDBSA-N 370.453 2.096 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@H](N4CCCC4)C3)cc2NC1=O 69491491 SHQWCLLUYIQPIV-HIFRSBDPSA-N 358.442 2.498 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)cc1Cl 71284102 WPBKAIVPKRLXPC-CHWSQXEVSA-N 354.790 2.220 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCCC2)nc1N 71771937 HTPDSMQNVCKXKS-UHFFFAOYSA-N 368.846 2.154 0 40 FEAB O=C(Cc1ccc(F)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 72331078 WLWGZRQUOCCMMS-UHFFFAOYSA-N 374.387 2.399 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72360263 IARFBFSDDQYJDF-HNNXBMFYSA-N 362.397 2.086 0 40 FEAB O=C(Nc1nc(-c2ccncc2)cs1)C1(n2cnnn2)CCCCC1 72402552 GXAIRTUYAKNFFL-UHFFFAOYSA-N 355.427 2.490 0 40 FEAB CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 72729750 CHGQAQZXKCDRPN-UHFFFAOYSA-N 374.506 2.435 0 40 FEAB CCN1CCO[C@H](C(=O)NCc2ccccc2CN2CCC(C)CC2)C1 72957132 UUEVMRZMYBTPJJ-FQEVSTJZSA-N 359.514 2.255 0 40 FEAB O=C(Nc1nc(-c2ccncc2)cs1)[C@H](c1ccccc1)n1cnnn1 79478186 YQZRWHUDUKUQIG-HNNXBMFYSA-N 363.406 2.420 0 40 FEAB O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(Cl)cc1 95399177 HDCNIWADTYCINT-HIFRSBDPSA-N 364.829 2.231 0 40 FEAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1sc(N(C)C)nc1C 95479279 MRXBAOPIUCTACD-SNVBAGLBSA-N 352.412 2.180 0 40 FEAB CC(C)Cc1ccc([C@H](C)NC(=O)CN[C@@H](CO)c2cnn(C)c2)cc1 95941432 YZKUQQNPDLRWPO-KXBFYZLASA-N 358.486 2.119 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)ccc1C 95944197 UJTFQXIRWMVASX-HZSPNIEDSA-N 353.488 2.103 0 40 FEAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 96038786 RSYGRTKLEGPZNI-TZIWHRDSSA-N 351.450 2.494 0 40 FEAB O=C(c1ccccn1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96061701 IPYVLLXIRLUCPQ-UXHICEINSA-N 351.450 2.240 0 40 FEAB O=C1NCCN1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 96103659 WEOVEFRDRRBNFS-CYBMUJFWSA-N 358.398 2.021 0 40 FEAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccccn3)C2)C1 96215806 LVMFMWXPKQZYQA-PZJWPPBQSA-N 352.482 2.447 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(F)cc1 100113147 FBNRYCJPHOMJAM-JLJPHGGASA-N 354.447 2.398 0 40 FEAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NC[C@@H]2CCCO2)Nc2ccccc21 100117606 FTKQZEGZNOQBTM-RUPGSYKBSA-N 369.465 2.270 0 40 FEAB Cc1cc(-c2cc3nc4c(c(O)n3n2)CCN(Cc2ccncc2)C4)no1 100182379 RKOSALKSKZYWNE-UHFFFAOYSA-N 362.393 2.352 0 40 FEAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1 101268850 JLCNDHBMGCPBJK-WBVHZDCISA-N 370.336 2.135 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=S)N[C@H]1C[C@H]3CC[C@H]1C3)C2=O 103249308 SQFDKAZYMHBVSS-QEGLHURPSA-N 350.488 2.055 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc(Cl)ccc1Cl 108178410 DMDXDTNIAWATHP-GYBADROVSA-N 351.189 2.445 0 40 FEAB C[C@H](c1nccs1)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 185703425 IJTKHMKRLXYQEI-CYBMUJFWSA-N 359.451 2.433 0 40 FEAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496899 FLGIPDYZGQMYGX-YPMHNXCESA-N 356.444 2.053 0 40 FEAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218666793 QYYFDYJFNAXTSX-DZKIICNBSA-N 369.801 2.201 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(Cl)cc1 224155090 RRWMNJAPRBFFDQ-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 224191496 ZUFNSOONMKXISX-UHFFFAOYSA-N 374.388 2.348 0 40 FEAB Cc1ccn2c(O)c(C(=O)NCCc3ccc(Cl)cc3)c(=O)nc2c1 226821746 AEMLZLNZRQLWOK-UHFFFAOYSA-N 357.797 2.334 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cccnn3)C2)n1 257242255 IBRLCYJGJFIWJJ-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CN(C)CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257315330 VAVSOJGZRPNNAU-SJLPKXTDSA-N 352.862 2.431 0 40 FEAB Cc1nnc(N(C)C(=O)[C@@H](c2ccccc2F)N2CCOCC2)s1 291860917 JYGVEVLBILSWEN-CQSZACIVSA-N 350.419 2.022 0 40 FEAB Cc1nn(C)c2nccc(NCC(=O)N[C@@H]3CCOc4ccccc43)c12 516860442 QJOJVDDGNNXHCA-CQSZACIVSA-N 351.410 2.329 0 40 FEAB CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2csnc2C(=O)O)C1 567794247 QYCIHCVDIBRYAZ-BDAKNGLRSA-N 350.487 2.136 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102860 LIDUMUMRICLIAV-NQIIRXRSSA-N 374.456 2.246 0 40 FEAB CO[C@H]1CN(C(=O)COc2ncccn2)CC[C@@H]1Cc1ccc(F)cc1 585279981 UWEDJQAJQGPFTR-WBVHZDCISA-N 359.401 2.101 0 40 FEAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc3cccnc3c2)CC1 631740167 NKUTYRQKUZIJAK-MRXNPFEDSA-N 366.465 2.004 0 40 FEAB C[C@@H]1O[C@H](C)C[C@H]1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 634023605 YYEUTQOCLQGICG-JKIFEVAISA-N 356.426 2.208 0 40 FEAB COc1ccccc1[C@@H]1CN(Cc2cn(C)cn2)C[C@]12CCCCC(=O)N2 643913507 ZXVLTFWZVXCGLO-GHTZIAJQSA-N 368.481 2.457 0 40 FEAB O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)Nc1cnn(-c2ncccn2)c1 666188680 FRRLGHNJAMXYBR-RDJZCZTQSA-N 364.409 2.357 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1166013387 RGYOPNYCUVUMNM-HOTGVXAUSA-N 370.478 2.111 0 40 FEAB CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)CCCn1c(O)nnc1O 1542450658 AHXJTCWPILAAQX-RDJZCZTQSA-N 374.441 2.096 0 40 FEAB O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccnc(CO)c1 1631252555 OTKGBKAAIRPJEY-LBPRGKRZSA-N 368.355 2.174 0 40 FEAB Cc1ccc(-c2ccc(N3CCN(Cc4noc(C)n4)CC3)nn2)cc1 1775976036 UESMLKYNSOCUFN-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB CCn1cc(NC(=O)[C@H](C)n2nc(C(F)F)c(Cl)c2C)c(C(N)=O)n1 2778977 PWPDSMDHFQNQAV-ZETCQYMHSA-N 374.779 2.298 0 40 FEAB COc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)nn1 78119281 PTKQWXJUEFVIQX-UHFFFAOYSA-N 359.773 2.161 0 40 FEAB O=C(COC[C@H]1CCCO1)Nc1cc(Cl)ccc1N1CCOCC1 78680387 ZMBCZVKOQWXVTC-CQSZACIVSA-N 354.834 2.311 0 40 FEAB Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c(S(=O)(=O)N(C)C)c1 53874706 YRLSVSOFEOJWTA-HUUCEWRRSA-N 368.499 2.319 0 40 FEAB O=S1(=O)C[C@H]2SC(=S)N(c3cccc(Br)c3)[C@H]2C1 3296654 NWJUKTDRHCWACL-VHSXEESVSA-N 364.311 2.453 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCNC(=O)C(C)C 42385896 JNPUZEJMQPIFJU-UHFFFAOYSA-N 360.433 2.059 0 40 FEAB Cc1cccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccccc2)c1 4499984 XJJLADRKJOWLOU-UHFFFAOYSA-N 357.395 2.166 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 4888607 AVRBHGOUBJVAMR-UHFFFAOYSA-N 363.527 2.490 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(F)cc1 4984878 YBDJAMMGSZWPCO-QGZVFWFLSA-N 367.380 2.416 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 6947546 OFPXIURDQJEROT-UHFFFAOYSA-N 362.495 2.440 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O 10541379 DLDOMKKNSMYNCI-LBPRGKRZSA-N 374.890 2.373 0 40 FEAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)s1 8474546 NIDGDLQWOKQNKT-UHFFFAOYSA-N 362.411 2.137 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(F)cc1 8433773 LILXXHZEGZPSKG-ZDUSSCGKSA-N 362.401 2.489 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCNC(=O)C1 34858797 RIIPFNMEZDTVQS-IBGZPJMESA-N 353.422 2.115 0 40 FEAB CC(C)CNC(=O)NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 57352263 FWWUUWCDRZJCBS-CQSZACIVSA-N 353.488 2.211 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2OC)c1=O 57478815 JVPXKKWNUPLMNR-UHFFFAOYSA-N 373.434 2.282 0 40 FEAB CCOc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 55652091 HCJCTYGQKOSWSQ-UHFFFAOYSA-N 355.437 2.290 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(-c2nnnn2C)c1 10090573 PCWBXQTUNYNYOP-UHFFFAOYSA-N 365.393 2.270 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 58197437 PHQKDURCEOEXIA-UHFFFAOYSA-N 364.405 2.372 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCc2ccccc2C1 58193462 UBCLEQOGKUHUAV-QGZVFWFLSA-N 374.444 2.357 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)nn1 58222808 DVLLPZYBOPXBIP-OAHLLOKOSA-N 357.458 2.274 0 40 FEAB CCc1n[nH]c(SCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)n1 12777434 JIWKJOIVJDOGNY-AWEZNQCLSA-N 359.499 2.365 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cn1 24131561 FRWSGJAQWOGWRE-MRXNPFEDSA-N 353.422 2.284 0 40 FEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1ccnc1 10809436 MVYIKEPCQCUCTA-UHFFFAOYSA-N 374.441 2.156 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 57955150 DCQFAPKULSXAKI-SECBINFHSA-N 355.350 2.087 0 40 FEAB COc1cc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc(OC)c1OC 3451817 SNHQLPDHFNVMPQ-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 20634616 DICQBIGGYYCSMA-QGZVFWFLSA-N 358.438 2.210 0 40 FEAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NS(=O)(=O)c1ccccc1 67890191 KDSGRNJAQUARIY-DYVFJYSZSA-N 364.467 2.145 0 40 FEAB biogenic,in-vitro CC(C)CCC(=O)NCC(=O)NCC1(N2CCSCC2)CCCC1 60375592 NYJQAIVMFLMEPH-UHFFFAOYSA-N 355.548 2.017 0 40 FEAB CN(C)Cc1nc(SCC(=O)NCC(F)(F)F)c2ccccc2n1 12979674 YMSFMEKXDARULZ-UHFFFAOYSA-N 358.389 2.462 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCCC2)Oc2ccccc21 38852367 LULANHFRBMTDOP-QGZVFWFLSA-N 366.483 2.443 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2sc(-c3ccncc3)nc2C)CC1 71284141 VBLWEABMUWZWNK-UHFFFAOYSA-N 360.439 2.428 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)cc(C)c1C 14094015 GMAXDYCVKHLGIQ-UHFFFAOYSA-N 350.415 2.281 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 14018164 UWSOHYHDLFFXTN-VAWYXSNFSA-N 369.469 2.103 0 40 FEAB CNC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 14244832 RLQXSXDAPVXZJN-MRXNPFEDSA-N 360.435 2.006 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 7131250 SIVZDHYXAUTWCR-IBGZPJMESA-N 373.359 2.395 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 8263532 QPVDJBPHHAXGSN-DZGCQCFKSA-N 367.515 2.304 0 40 FEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Br)cc1 17114425 ZDLXLTUXGSQSKG-UHFFFAOYSA-N 366.215 2.349 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 22682193 SJYQRMIGEHMXFD-MJGOQNOKSA-N 352.434 2.057 0 40 FEAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2ccccc2n1 8704197 IUMGQBBMSCXWRH-GOSISDBHSA-N 350.374 2.455 0 40 FEAB CCOc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 72331293 PYMKYZKNLOFUME-UHFFFAOYSA-N 366.417 2.139 0 40 FEAB Cc1noc([C@@H](NC(=O)c2ccc(Cn3ccccc3=O)o2)C(C)C)n1 89718521 MLHDKOPZJXEJSX-INIZCTEOSA-N 356.382 2.308 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C1 76091455 OEAPINJSWQRYRA-KZNAEPCWSA-N 374.529 2.405 0 40 FEAB CCc1ccc(CCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24678591 YFGBIOLAXHBZCD-KRWDZBQOSA-N 352.500 2.112 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccncc3)C2)cc1 22258746 OJFCSQQGPPOJQY-HNNXBMFYSA-N 359.451 2.429 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1C[C@H]3CCCCN3C1=O)C2 556658858 BOYCYTADFDBHGN-CRAIPNDOSA-N 369.465 2.405 0 40 FEAB NC(=O)N[C@H](CC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccccc1 532245274 DEZJFGOVPDHUDD-MSOLQXFVSA-N 369.421 2.092 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)C(=O)O)cc1 218524123 HMHPTOJAENQHEU-LNLFQRSKSA-N 359.447 2.273 0 40 FEAB O=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1)N1CCOCC1 72380491 LZKMSOGJXXWZDY-QGZVFWFLSA-N 354.454 2.262 0 40 FEAB COc1ccccc1OCc1cn(CC(=O)Nc2cnn(C(C)C)c2)nn1 227161265 SAJGWUOLLLAHHB-UHFFFAOYSA-N 370.413 2.282 0 40 FEAB O=C(Cc1ccc(-n2ccnc2)cc1)Nc1cnn(C2CCNCC2)c1 1580570081 ZBEQKTMSNFCESF-UHFFFAOYSA-N 350.426 2.175 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C(=O)C3CC3)C2)C1 577052307 NBLIEBCSNSXNKM-QAPCUYQASA-N 356.470 2.043 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccccc1F 224213701 ADIBUGCKSFZFIF-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccccc1 223070250 SRBPSJHZTPGMOZ-UHFFFAOYSA-N 356.513 2.245 0 40 FEAB Cc1ccccc1NC(=O)N1Cc2cncn2C[C@H](C(=O)NCC2CC2)C1 96260689 OAOZVAYBYMXBFL-MRXNPFEDSA-N 367.453 2.382 0 40 FEAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 514290222 WAFXVLRMIWSGOZ-BEFAXECRSA-N 352.390 2.133 0 40 FEAB biogenic,in-vitro O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247831214 LBHUUKKCYNOXQF-OAHLLOKOSA-N 368.389 2.263 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)O)cc1 242592343 OQHKJWXXPITCAS-IKGGRYGDSA-N 360.387 2.364 0 40 FEAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CNC(C)=O)C2)o1 257274289 NKJNOFWGQKAZHX-MRXNPFEDSA-N 371.437 2.116 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc34)C[C@@H]21 253490401 INRSAKLYSLYDPN-MISYRCLQSA-N 374.506 2.226 0 40 FEAB C[C@]1(NC(=O)c2ccc(Cc3cccc(F)c3)nc2)CCS(=O)(=O)C1 257326250 WWMCINGVVYZLOC-SFHVURJKSA-N 362.426 2.119 0 40 FEAB O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCO[C@@H](CCc2ccccc2)C1 363780575 QDAKXIBJEHVHSX-ROUUACIJSA-N 354.454 2.310 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H](c3ccccc3)[C@H](CO)C1)CS2 618453065 GLYGTUBRACXLAZ-XLSPSMHOSA-N 374.506 2.065 0 40 FEAB Cc1cc(C(=O)N[C@@H](CC(=O)O)Cc2cc(F)c(F)cc2F)cnn1 630197225 PXVZKFLTFWBDIK-LLVKDONJSA-N 353.300 2.018 0 40 FEAB O=C1NCCCN(C(=O)c2scc3c2OCCO3)[C@@H]1Cc1ccccc1 653851323 LVPNIEIOCMHUMD-CQSZACIVSA-N 372.446 2.093 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3[C@@H]4COC[C@H]4[C@@H]3C2)cc1OC(F)F 606445689 CITYWGHNLUQEFJ-CRWXNKLISA-N 353.365 2.190 0 40 FEAB CN1CCC[C@@H](CCC(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)C1 95522785 GFRXUGCFQIRTIL-INIZCTEOSA-N 359.470 2.155 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Cc1ccccc1F 585275662 FUZZUTHGELJFEB-AEFFLSMTSA-N 358.413 2.244 0 40 FEAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 585106137 QFIFNIBHRMVJDR-MOPGFXCFSA-N 369.509 2.385 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 69034349 SCJOYIZYXCIBIO-FUHWJXTLSA-N 369.421 2.177 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 72284187 SFJAJXMJFHAARD-NRFANRHFSA-N 354.450 2.161 0 40 FEAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@H](c2ccc3c(c2)OCO3)N1 11665710 KUUACLXPRDMUJG-INIZCTEOSA-N 369.402 2.127 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)cnc21 14207293 AWMQRPLJQMZPEQ-UHFFFAOYSA-N 352.181 2.076 0 40 FEAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C 16024066 QBFXRSFIBIVMED-CYBMUJFWSA-N 362.451 2.437 0 40 FEAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cn2cc(C)cn2)cc1 19239921 CVKMUBLNQYYGSZ-LJQANCHMSA-N 351.410 2.098 0 40 FEAB Cc1nccn1Cc1ccccc1C(=O)N1CCN(CCOC(C)C)CC1 19288230 ORVDWOPGZQRQIT-UHFFFAOYSA-N 370.497 2.423 0 40 FEAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C)CC2)[C@@H]3CCC1 19359372 UWMPKFYTOZOTPE-HXUWFJFHSA-N 366.509 2.417 0 40 FEAB CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 19445983 SGHTVXWIEUDLII-ZWKOTPCHSA-N 362.522 2.109 0 40 FEAB CCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCCC2)CC1 19501902 RIGDZTKWNUENHW-QGZVFWFLSA-N 350.511 2.111 0 40 FEAB Cc1c(C(=O)N2CCC(O)(Cn3ccnc3C)CC2)oc2c1C(=O)CCC2 19565226 ISBVBIZCUUOWGZ-UHFFFAOYSA-N 371.437 2.279 0 40 FEAB COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)n1 19594307 NETSNZVVXFHVDJ-OAHLLOKOSA-N 373.453 2.313 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)c1nc2ccccc2n(C)c1=O 19715018 ZJCQHIIPYXNKBC-UHFFFAOYSA-N 355.369 2.224 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)ncc1C(N)=O 19754496 UYKZWDGQGKDZLZ-OAHLLOKOSA-N 370.428 2.362 0 40 FEAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@@H]1COc2ccc(Cl)cc2C1 529818818 DJHYMXFCFALXKL-YWZLYKJASA-N 373.836 2.374 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/c2ccnn2C)C[C@]12C[C@@H](c1ccccc1)CO2 643587730 KQVUQTQLQWLSAD-ZPYHJIQJSA-N 367.449 2.233 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(O)c1 5225836 BMDGMPGYAUIYDF-UHFFFAOYSA-N 374.418 2.145 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCCN(C2CCSCC2)CC1 1849414776 URZOOMDNAFUKJM-SFHVURJKSA-N 362.495 2.256 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@@H]1CC(=O)N(c2ccccc2F)C1 22024434 VLAMMYGAWOFZOH-CYBMUJFWSA-N 352.369 2.143 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839901 DYDISXJKIOGGHI-NRFANRHFSA-N 372.465 2.228 0 40 FEAB COCCCN1CCC[C@]2(CCCN(C(=O)c3cccc(OC)n3)C2)C1 2056223445 LUGWMHXOUOCRJX-FQEVSTJZSA-N 361.486 2.445 0 40 FEAB CC(C)CNC(=O)c1cc2c(CNC(=O)c3cc[nH]c3)nn(C)c2s1 1565547932 YSHRRVOZMRTOPZ-UHFFFAOYSA-N 359.455 2.279 0 40 FEAB Cc1nc(SCc2ccccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1 4138839 SRMDABVEQBRJSC-UHFFFAOYSA-N 362.842 2.281 0 40 FEAB CC(C)(C)NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152863 KPQQTYQLOHQGFU-MRXNPFEDSA-N 355.438 2.414 0 40 FEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccco3)o2)cc1 10253176 UOASGMXKZZMKNY-UHFFFAOYSA-N 361.379 2.304 0 40 FEAB Cc1nc2ccccn2c(=O)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 13707497 PYVKJHOEZJRGBE-GFCCVEGCSA-N 367.361 2.138 0 40 FEAB Cc1cccc(CC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 35594960 TUZFNYGRUCXOHJ-IBGZPJMESA-N 352.434 2.254 0 40 FEAB O=C([C@H]1CCCN(c2ncnc3c2CCC3)C1)N1CCC(F)(F)CC1 2298183923 GIMNCUNULQVUJF-ZDUSSCGKSA-N 350.413 2.439 0 40 FEAB CCc1ccc([C@H](C)NC(=O)CN2CCN(c3cnccn3)CC2)cc1 40049868 BUZGFGLOIKZCPW-INIZCTEOSA-N 353.470 2.038 0 40 FEAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1C 40033617 SHYKEXYWVAYTMF-OAHLLOKOSA-N 362.451 2.194 0 40 FEAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3OC)ccc2=O)o1 40267091 ZTRGBEYDOOIQAW-UHFFFAOYSA-N 358.325 2.486 0 40 FEAB C[C@H](C(=O)c1c[nH]c2ccccc12)n1nnc(-c2ccc(C(N)=O)cc2)n1 31762349 BBTZUQFLQWVLIP-LLVKDONJSA-N 360.377 2.364 0 40 FEAB CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NC(N)=O)nc21 32778391 ABJWJIJMAINKLW-VIFPVBQESA-N 358.427 2.065 0 40 FEAB COc1ccc(COC(=O)c2ccc(C)c(S(N)(=O)=O)c2)cc1F 32777438 QPFHTRBUWUYBGA-UHFFFAOYSA-N 353.371 2.147 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 102633159 SGAOIZURFGWDAX-NGERZBJRSA-N 371.361 2.144 0 40 FEAB Cc1c(CCC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2cc(O)ccc12 2098444 IBMSLYAVFDVEKJ-UHFFFAOYSA-N 359.378 2.063 0 40 FEAB biogenic CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 2629225 YMGSRMRDGOQISG-UHFFFAOYSA-N 356.513 2.407 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 2648276 VFVJOCXUIIYLHC-UHFFFAOYSA-N 362.451 2.069 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3359805 ZUMXJWSZJXJMAR-VMPITWQZSA-N 356.325 2.079 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1 4578613 OCBMTCHQJBXKGZ-UHFFFAOYSA-N 357.362 2.450 0 40 FEAB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 4871639 YZRQPYPGJKUENX-MQXWNXJFSA-N 352.173 2.277 0 40 FEAB CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 5208550 VKUGPAATVQXZLX-UHFFFAOYSA-N 359.405 2.069 0 40 FEAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5241551 SKBNZBHAEAWQTP-HOCLYGCPSA-N 370.405 2.049 0 40 FEAB O=C(NC1CCC(O)CC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6648305 WNIZCJUARSFXLS-UHFFFAOYSA-N 355.438 2.156 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)cc1 6679945 AGOFRIBQORHGTB-UHFFFAOYSA-N 368.436 2.133 0 40 FEAB COCCNC(=O)CSc1ccccc1C(=O)NCc1ccccc1 6849452 XIVFTKRWNKTZAD-UHFFFAOYSA-N 358.463 2.471 0 40 FEAB Cc1ccc(NC(=O)COC(=O)Cn2c(=O)oc3ccccc32)cc1C 7651095 UIIDLBCRSAUBIU-UHFFFAOYSA-N 354.362 2.393 0 40 FEAB Cc1c(NC(=O)[C@H](C)S[C@@H](C)C(=O)O)c(=O)n(-c2ccccc2)n1C 7785567 CKZWCTGBJCHEDJ-RYUDHWBXSA-N 363.439 2.018 0 40 FEAB COc1ccc(CNC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)cc1 8490563 GDNLUQOUDPBLHI-UHFFFAOYSA-N 369.373 2.380 0 40 FEAB biogenic O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccc1F 8987118 AZIBXLNDCBFODN-GFCCVEGCSA-N 356.353 2.337 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2C)c1C 9458017 YKJWIJGRBRBFOJ-UHFFFAOYSA-N 358.394 2.200 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)O 10515404 NQEBEWRSBMFRJT-UHFFFAOYSA-N 362.407 2.196 0 40 FEAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCn1ccnc1 11694337 SOMPMTXAZFIRMG-UHFFFAOYSA-N 357.389 2.427 0 40 FEAB NC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112975 KAUPAYYQYYBGET-INIZCTEOSA-N 359.382 2.344 0 40 FEAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCCCC3)c(=O)n12 12181620 WTEVXPOYIQOEHQ-UHFFFAOYSA-N 368.437 2.369 0 40 FEAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)n1 12231199 SXOPPAXEBRGDEX-WBMJQRKESA-N 352.438 2.426 0 40 FEAB CCCNC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12242136 BVXSDLNOIMAMDN-UHFFFAOYSA-N 358.419 2.231 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccccc2)cc1 12787097 YBRFBFJPARYOED-UHFFFAOYSA-N 374.462 2.256 0 40 FEAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 13460999 SVBFZWZIWYGXLX-HNNXBMFYSA-N 370.361 2.146 0 40 FEAB CC(C)(C)n1nnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 14158713 RWYMNFCWFIZPAO-AWEZNQCLSA-N 361.471 2.120 0 40 FEAB O=C(NCCOc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCC3 15533253 CIIAGKKWAVHFHD-UHFFFAOYSA-N 367.380 2.291 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCC3)c(Cl)c2)C1=O 15858302 UAVTYNHTEWROBK-JTQLQIEISA-N 370.858 2.325 0 40 FEAB Cc1nccn1C[C@H](C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19287778 QLLZXRNVFYMOTL-INIZCTEOSA-N 372.469 2.177 0 40 FEAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)C2 19753080 VGEATNLIQHIRHX-INIZCTEOSA-N 357.433 2.159 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1(c2ccccc2)CCC1 21355800 ZLXIZMDIPFSRHR-UHFFFAOYSA-N 355.438 2.089 0 40 FEAB CC(C)c1ccc(C(=O)N2CCN(Cn3ncn(C)c3=S)CC2)cc1 25475264 HMYSJYPBYPHUBS-UHFFFAOYSA-N 359.499 2.490 0 40 FEAB CCn1nccc1CNC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 28234273 JTSJVVOMUMOQJC-UHFFFAOYSA-N 361.837 2.002 0 40 FEAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 28319829 RAPPXMOFNXRUQE-SECBINFHSA-N 353.469 2.388 0 40 FEAB COc1ccc(NC(=O)CNc2cccc(-n3nnnc3C)c2)cc1OC 29687535 IROVUEMHPSUUBB-UHFFFAOYSA-N 368.397 2.039 0 40 FEAB Cc1cc(CN2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)no1 32759807 UVVZKYPKWBRAEG-UHFFFAOYSA-N 369.421 2.421 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)CCC2 32778544 JQVBJXZZWRGDSY-SUNYJGFJSA-N 371.481 2.313 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 32899176 JBYSSXUXTGKXJO-CQSZACIVSA-N 372.450 2.160 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(O)c(Cl)c1)CC(=O)N2 36357934 PHPMNKHOYSKRQJ-SNVBAGLBSA-N 371.784 2.097 0 40 FEAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1nc2ncccn2n1 36618693 YHQLKXCVLCBZQH-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB Cc1nc(C)n([C@H](C)CNC(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C)n1 36740685 GSZWQJQJKWQNNB-AGKHESDQSA-N 359.405 2.150 0 40 FEAB Cc1ccc(CN(C)C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38772433 GFYOHCFLADZRBH-GOSISDBHSA-N 374.462 2.181 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 41611884 QOCKQORHAWRSHY-OAHLLOKOSA-N 360.410 2.306 0 40 FEAB O=C(CN1CCN(C[C@H]2CCOC2)CC1)Nc1ccccc1C(F)(F)F 47717447 QUAFUOHKQNALAP-CQSZACIVSA-N 371.403 2.298 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1N1CCCC1=O 52806983 UEXCTXUYJBTXOV-GFCCVEGCSA-N 371.393 2.172 0 40 FEAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(C)c(=O)c2[nH]1 57521480 AIZKETKDLMFRJF-UHFFFAOYSA-N 360.414 2.118 0 40 FEAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F 57985438 YHPLSDQOODQVCY-ZDUSSCGKSA-N 372.368 2.080 0 40 FEAB CCn1nnc2cc(C(=O)NCc3noc(-c4ccsc4)n3)ccc21 58182773 BCEHFPZUQBJBPI-UHFFFAOYSA-N 354.395 2.493 0 40 FEAB NS(=O)(=O)N1CCc2ccc(NC(=O)/C=C/c3ccccc3F)cc21 65606999 IOCXOTNZQIKZJR-SOFGYWHQSA-N 361.398 2.044 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12 71280005 SQXHEMMLVIATFA-HNNXBMFYSA-N 353.378 2.354 0 40 FEAB C[C@H]1Sc2ccc(C(=O)N3c4ccccc4C[C@H]3C(N)=O)cc2NC1=O 84678168 PMFQFQTWIYOVNA-BMIGLBTASA-N 367.430 2.176 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(C1CC1)C1CC1 95348758 YNUCEDRKEOCVRJ-LJQANCHMSA-N 373.478 2.136 0 40 FEAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 95479430 IGCOJMZOBNFNNE-RTBURBONSA-N 366.417 2.276 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnccn1 95998422 LBUSTCOSSDXDRU-GOSISDBHSA-N 363.421 2.493 0 40 FEAB Cc1cc(N[C@H]2CCc3nnc(Cc4ccccc4)n3C2)n2ncnc2n1 95999438 LPZANSGCTXKHIS-HNNXBMFYSA-N 360.425 2.042 0 40 FEAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NCc3ccco3)O[C@@H]2C1 96042785 PRXMKOPNJLGWSQ-BMGDILEWSA-N 359.426 2.180 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Cc2cccs2)CC12CCOCC2 96078633 LBTFVPJZHLDSNE-INIZCTEOSA-N 362.495 2.072 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCOC[C@H](Oc2cccnc2)C1 96113190 SLVKFCKPZRVMQC-OAHLLOKOSA-N 368.842 2.204 0 40 FEAB biogenic,in-vitro COc1cccc(CN2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)c1 96244008 QEKWDKKNADOBQN-HXUWFJFHSA-N 354.454 2.225 0 40 FEAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(c1ncccn1)CC2 96260508 CWRPSJFKQRTUGY-UHFFFAOYSA-N 368.485 2.247 0 40 FEAB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 96318856 HDHIZXDDRJMVJT-FOGDFJRCSA-N 363.416 2.141 0 40 FEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC[C@@H]2CCCO2)Nc2ccccc21 100117615 FTKQZEGZNOQBTM-GRLNRTDZSA-N 369.465 2.270 0 40 FEAB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@H]1N2C(=S)SC 100416605 SMMQRRVKRYCIDI-ZDJPVGBISA-N 353.465 2.173 0 40 FEAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@@H]3C2=O)c1 101260810 HKLDUTJAZFUCGE-HOTGVXAUSA-N 352.350 2.202 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n(C)n1 102908672 DOJLAKKGJSEAPP-UHFFFAOYSA-N 364.808 2.119 0 40 FEAB COc1cc(C)c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 102934399 OONLZCIKFBJJJK-ZIAGYGMSSA-N 372.421 2.292 0 40 FEAB CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 108347432 DNYOJFFDJNDMGF-NVXWUHKLSA-N 362.499 2.266 0 40 FEAB O=S(=O)(C[C@@H]1CCOC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 117914535 RHFXPEIWGXKDOF-NVXWUHKLSA-N 357.447 2.173 0 40 FEAB O=C(Cn1cnc2ccccc21)NCc1nccc(N2CCCCC2)n1 224161625 NSAKTHVWLSYUMD-UHFFFAOYSA-N 350.426 2.133 0 40 FEAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(CN)NC(=O)OC(C)(C)C 252514481 CPCIUZYFGZHWEX-DAYGRLMNSA-N 368.499 2.118 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cccnc3N)n(C)n2)CC1 257286601 PMFBGCLBRKPXQQ-SHTZXODSSA-N 370.501 2.163 0 40 FEAB COc1ncccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 306125269 CKXBHZJAIBXWOG-BRWVUGGUSA-N 373.478 2.029 0 40 FEAB O=C(c1cnccn1)N1CC[C@H](c2nnn3cc(-c4cccnc4)ccc23)C1 306130141 IXJWWNOAWNPCST-INIZCTEOSA-N 371.404 2.211 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408600318 AECGCUOXUSBZLD-JTQLQIEISA-N 370.377 2.279 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@@H]4CCCO4)c3)C(=O)[C@H]2C1 408687376 USDNMOCIXBEOGD-BZSNNMDCSA-N 368.433 2.441 0 40 FEAB COc1c(F)c(F)cc(C(=O)N2CC(n3cc(C4CC4)nn3)C2)c1F 575617024 VGSMGQGYSIWTNF-UHFFFAOYSA-N 352.316 2.279 0 40 FEAB COCCNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 585102623 COGBQRQKTIDGGP-PXNSSMCTSA-N 362.445 2.150 0 40 FEAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 585104744 LVRXPLSYJQWIIO-AWEZNQCLSA-N 357.447 2.422 0 40 FEAB O=C(c1ccnc(F)c1)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 585108026 XADBGBAILZOIQG-DLBZAZTESA-N 373.403 2.475 0 40 FEAB Cn1nccc1C(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585111757 APUGRUXUUIFNCB-OAHLLOKOSA-N 370.482 2.055 0 40 FEAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2cccnc2)C(=O)C1 585150133 FNONNVLAFVVVNE-UHFFFAOYSA-N 353.407 2.022 0 40 FEAB O=C(O)COc1ccc(NC(=O)CN2CCCCC2=O)c2ccccc12 630130988 LOOGOMQQLBDGII-UHFFFAOYSA-N 356.378 2.254 0 40 FEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(C)=O)CCO2)C1=O 643557673 YZKDFPYJUOJMQK-NRFANRHFSA-N 374.481 2.258 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CCc2ncncc2C1 648246167 UJAWGEJSNKJXBJ-ZDUSSCGKSA-N 350.422 2.421 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)N[C@H]1CCc2c(nnn2C)C1 654532781 AOWXSSDHKWVHHG-ZDUSSCGKSA-N 353.426 2.269 0 40 FEAB Cn1c(O)nc2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)ccc21 662687694 JAGFKVOYLYSSCO-QGZVFWFLSA-N 352.394 2.192 0 40 FEAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)o1 678613950 JCDKFRXSQAWYIJ-KRWDZBQOSA-N 374.462 2.326 0 40 FEAB COC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)C1 679113976 ICKQBFZLFIYYME-ZDUSSCGKSA-N 368.380 2.140 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@H](Oc2ccncc2Br)C1 1776001759 JVYXDQDJFSWIEF-ZDUSSCGKSA-N 362.227 2.462 0 40 FEAB O=S1(=O)CC[C@H](CN2CCC(COc3ccncc3Cl)CC2)C1 1849823641 FOSSRNCLUBXIOJ-CQSZACIVSA-N 358.891 2.261 0 40 FEAB COc1ccccc1C1(C(=O)NCC2(O)CSCCSC2)CC1 1888976353 VXKVVZVHFNTRBC-UHFFFAOYSA-N 353.509 2.054 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)COc2ccccc2)C1 2055747741 RZXXYZDIAXGGSD-HXUWFJFHSA-N 371.412 2.034 0 40 FEAB CC(C)Cn1c(N)c(-c2csc(Nc3ccccn3)n2)c(=O)n(C)c1=O 22421035 LANCREYDXZSKDU-UHFFFAOYSA-N 372.454 2.047 0 40 FEAB CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 103731978 SBUIEIOLKZKFKF-UHFFFAOYSA-N 360.435 2.434 0 40 FEAB Cn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(C)(=O)=O 2218144 ALMWMIGMSWPOKU-LSDHHAIUSA-N 360.464 2.406 0 40 FEAB Cc1cccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 3079518 ILQBJQSFDNVWIR-QGZVFWFLSA-N 369.421 2.494 0 40 FEAB CCOc1cc(CNCC(C)C)cc(Br)c1OCC(N)=O 8253715 PRUWVPLPURDFLO-UHFFFAOYSA-N 359.264 2.458 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)NC2CCCC2)cc1 8325720 SGHISMONYCCUDV-UHFFFAOYSA-N 352.456 2.007 0 40 FEAB CCn1c(C)cc(C(=O)COC(=O)CN2C(=O)COc3ccccc32)c1C 24778703 SLZKLPLXKQFYIE-UHFFFAOYSA-N 370.405 2.276 0 40 FEAB Cn1ccnc1CN1CCC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 43285712 ZYSUSAFTMHIIRN-UHFFFAOYSA-N 368.485 2.266 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Cn2cncn2)c1 56088027 NGRSRDIRTHKWBF-UHFFFAOYSA-N 360.414 2.252 0 40 FEAB COc1ccccc1S(=O)(=O)NCc1ccc(Cn2ccnc2)cc1 56076295 UJWISBNVHBCHIX-UHFFFAOYSA-N 357.435 2.419 0 40 FEAB CCn1nc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O 9750069 SWYZWQNVVSASNT-UHFFFAOYSA-N 356.470 2.411 0 40 FEAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 101375453 ARIRVMSWRDGEGN-LKYGALQXSA-N 371.433 2.491 0 40 FEAB O=C(C[S@@](=O)c1ccc(O)cc1)Nc1cccc(C(=O)NC2CC2)c1 108086264 ZALHVOICFUSVJA-VWLOTQADSA-N 358.419 2.031 0 40 FEAB CC(C)NC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O 57486522 JFABEKIUFYTCKQ-UHFFFAOYSA-N 353.426 2.230 0 40 FEAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 12661225 AUDUOJRQQZETPZ-CLWJZODNSA-N 362.422 2.196 0 40 FEAB biogenic Cc1cc(NC(=O)Cn2ccc(-c3ncnn3C)n2)n(C2CCCCC2)n1 48101594 DFLTXYSCWATRNR-UHFFFAOYSA-N 368.445 2.327 0 40 FEAB CC(=O)N1CCC(NC(=O)CN2CCc3cc(C(C)(C)C)ccc32)CC1 58201140 WKUVTZMQTYHLHI-UHFFFAOYSA-N 357.498 2.474 0 40 FEAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 103021586 MGTKHQAUNWVZTJ-BRWVUGGUSA-N 362.495 2.346 0 40 FEAB O=C(O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106757424 BBJYTTJBDXTNPW-UVTDQMKNSA-N 374.418 2.434 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102082098 JOQQJANBTSRGTP-OOXJRHCVSA-N 366.417 2.075 0 40 FEAB Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 28606953 UNWRXDQRSAXTSI-UHFFFAOYSA-N 357.410 2.481 0 40 FEAB O=C(CNc1ccccc1F)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11127212 NMSKSCUMDHWZDA-OAHLLOKOSA-N 362.426 2.458 0 40 FEAB CC(=O)N1CCC(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)CC1 36625188 JLHTUEKVEZZALR-GOSISDBHSA-N 360.454 2.444 0 40 FEAB CC[C@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1cccn1 36615195 ZBHGJNKKWLDLRF-CQSZACIVSA-N 366.443 2.381 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)NC[C@H](C)Cn2cccn2)CC1=O 59923955 DGWGDKXVXULTHL-RDJZCZTQSA-N 354.454 2.251 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1c3ccccc3C[C@@H]1C)C2=O 2636836 SQLWWRFRRPUTKE-DMAKZNTKSA-N 355.438 2.465 0 40 FEAB COc1ccc2c(CC(=O)NC[C@H]3CN(CC(C)C)CCO3)coc2c1 12872674 OOKNBJZUJHCCDN-KRWDZBQOSA-N 360.454 2.457 0 40 FEAB Cc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)n2ncnc2n1 12814994 WWGRXUMRLDWEDJ-UHFFFAOYSA-N 365.466 2.365 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(=O)[nH]1 12905617 QKLQWKBUEKCBKW-CYBMUJFWSA-N 373.840 2.314 0 40 FEAB CCC(=O)N1C(=S)NC(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 4100933 MOKCMKIEINIZMH-HNNXBMFYSA-N 362.407 2.030 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cccc(F)c1 9157660 IQGQPDPDMDMIMD-UHFFFAOYSA-N 364.442 2.483 0 40 FEAB CCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1 14096832 KUNBQLCNVVJQMG-UHFFFAOYSA-N 353.307 2.273 0 40 FEAB Cc1nc2cc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)ccc2o1 14122574 VNDCOCLPGYORKS-UHFFFAOYSA-N 364.361 2.440 0 40 FEAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 4588796 JBHZBSPYWXTILY-LLVKDONJSA-N 371.345 2.386 0 40 FEAB O=C1COc2ccc(C3=Nn4c(nnc4-c4cccnc4)SC3)cc2N1 6588833 VFCNWNKUKRQLHO-UHFFFAOYSA-N 364.390 2.029 0 40 FEAB COc1ccc(C)cc1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC 15292805 GELOTJYBDHFSTI-UHFFFAOYSA-N 371.437 2.487 0 40 FEAB COc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1Br 7449478 SHKMWCSNSSPHRA-UHFFFAOYSA-N 373.247 2.111 0 40 FEAB CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 7778690 HDMUUJRFKICPLC-MRXNPFEDSA-N 367.467 2.084 0 40 FEAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)no1 8040255 CYTKNCBUIWQHEY-UHFFFAOYSA-N 361.379 2.307 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(O)cc2)c1 9544605 DQNJLNFZKKIHCC-UHFFFAOYSA-N 364.423 2.381 0 40 FEAB COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157297 AMSKNBCNDMHFOW-SFHVURJKSA-N 368.433 2.015 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 33777330 WAIDPEZWNIHHMO-CQSZACIVSA-N 361.379 2.418 0 40 FEAB CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)CCCn1c(O)nnc1O 1542450659 AHXJTCWPILAAQX-WBVHZDCISA-N 374.441 2.096 0 40 FEAB Clc1ccccc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1 154323680 XQKRUKZXMHCRSO-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(O)cc2)CC3)C[C@H](C)O1 72347234 IUHFVSSZAQESPK-KBPBESRZSA-N 370.453 2.060 0 40 FEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217517525 PDZWRMRDJHGZEG-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB C[C@H]1CN(C(=O)[C@H]2COc3ccccc3O2)CCN1C(=O)OC(C)(C)C 85340220 SBYBWPWXYIGEND-XJKSGUPXSA-N 362.426 2.294 0 40 FEAB Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)NCC(F)(F)F 47480989 SATNVCGVVCMBBF-UHFFFAOYSA-N 362.329 2.476 0 40 FEAB O=C1NC(=O)[C@@H](Cc2ccc(OCCc3ccc(CCO)cn3)cc2)S1 44699637 TUXGNBJVZUQUKV-QGZVFWFLSA-N 372.446 2.132 0 40 FEAB in-vitro C[C@@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@H]1C(=O)O 573110567 RKNICZKEQRNYMH-IUODEOHRSA-N 361.423 2.017 0 40 FEAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc4cccnc34)C2)nn1 225431563 JBCCDJCRURDKCE-HNNXBMFYSA-N 370.434 2.175 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCSC2CCCC2)cc1 223409604 KUVXLVQOTRPBFS-UHFFFAOYSA-N 363.526 2.044 0 40 FEAB CCc1cnc(N2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@H]3C2)nc1 96245341 PJZFTNJBXXSPMG-AEFFLSMTSA-N 352.438 2.142 0 40 FEAB COc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)nn1 95478111 HJAZDVLETMAEAN-CQSZACIVSA-N 369.425 2.299 0 40 FEAB CC1=C[C@@H]2C(=O)NC(CSCC(=O)Nc3ncc(C)s3)=N[C@H]2S1 94992932 XCRYPPHAVPXVBF-RNCFNFMXSA-N 368.509 2.244 0 40 FEAB Cc1cc(C)nc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257312839 UPTUPCOEOPPWQO-QGZVFWFLSA-N 352.442 2.326 0 40 FEAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ncccc1C 257274933 NNGNFXGXACPCGU-INIZCTEOSA-N 353.426 2.102 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc([C@@H]5C[C@H]5C)n4n2)CC3)C1 631491120 VMFUTJLYDAPKHC-FKZOYECMSA-N 364.457 2.373 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N3CC(C)(C)O[C@@]4(CCOC4)C3)cc12 684681523 KWNLUSWCIYXORJ-SFHVURJKSA-N 359.430 2.079 0 40 FEAB O=C(NCc1ccccc1)[C@@]12C[C@@H](n3cc(CN4CCCC4)nn3)[C@@H]1C2 1775997674 OULNLYNJFQPLEX-NSHGMRRFSA-N 351.454 2.141 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 585100872 ZWFBBNFLMFOISW-GOSISDBHSA-N 359.499 2.424 0 40 FEAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C2=NN(C)C(=O)CC2)cc1 45592615 NUKXQZGRHYKRNU-MRXNPFEDSA-N 359.426 2.102 0 40 FEAB O=C(O)c1cnc(C(=O)O)c(C(=O)O)c1-c1ccccc1CN1CCCC1 1083802457 YAFPAZOQVHSZSF-UHFFFAOYSA-N 370.361 2.439 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H](COc3ncccn3)C2)c(C(F)F)n1 1775995242 JUFMAAMICVSLRO-NSHDSACASA-N 351.357 2.079 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2cnccc2-n2cccn2)c2ccccc21 505888281 OCDLJUSWBLPMFZ-UHFFFAOYSA-N 362.393 2.042 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n(C[C@H](NC(=O)C(C)(C)C)C(C)C)n1 12084898 PCNNLNLKNARMOC-INIZCTEOSA-N 373.501 2.448 0 40 FEAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4CCOC4)nn3cn2)cc1 12085177 HXFPAVIQQVTYRS-GXTWGEPZSA-N 367.409 2.014 0 40 FEAB CC(=O)Nc1ccc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc1 12119981 LULLDDSJSHYVBR-QAPCUYQASA-N 352.438 2.199 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)c2ccnn2C)CC1 12156121 JGDQDFBGVPXUPE-UHFFFAOYSA-N 357.410 2.172 0 40 FEAB COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 13566279 CESBUDCKGYCTQM-SCLBCKFNSA-N 373.453 2.208 0 40 FEAB Cc1cc(C)cc(OCCOC(=O)c2csc(S(N)(=O)=O)c2)c1 18388699 WPRBGESMJXYFOE-UHFFFAOYSA-N 355.437 2.248 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 19370818 UXTMHCKXZPOAAF-SFHVURJKSA-N 362.437 2.359 0 40 FEAB CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2ccccc2O1 12236350 DHHCPHUBMTXNSN-INIZCTEOSA-N 364.442 2.339 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C)CCOc1ccc(F)cc1 19715240 PKESNZDZRFBHMF-UHFFFAOYSA-N 369.396 2.381 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1 4475478 FWCUWUMWFPDNIN-RYUDHWBXSA-N 363.439 2.473 0 40 FEAB CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 7115447 NGNRHDCJYGHFCZ-SFHVURJKSA-N 358.463 2.343 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)NC[C@@H]4CCCO4)CC3)ccc2n1 1888866489 RBWPVTXKYRJLMM-INIZCTEOSA-N 373.457 2.017 0 40 FEAB O=C1[C@@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@@H]2C(=O)N1c1ccccc1 1888867077 LKBAXHMOMPFMQP-TXEJJXNPSA-N 362.311 2.121 0 40 FEAB Cc1cc(C)nc(N2CC[C@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888875611 RWMIFVBXXIGOMG-KRWDZBQOSA-N 360.483 2.134 0 40 FEAB CC(C)(C)c1ccc(OC[C@H]2CCN(c3ncnc4n[nH]cc34)C2)nn1 1888876168 WVPPYZWVIXOQTK-LBPRGKRZSA-N 353.430 2.346 0 40 FEAB Cc1nnc(N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)s1 1889139516 NHENXGQPBHDAJA-UHFFFAOYSA-N 357.443 2.085 0 40 FEAB O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 23438170 VYUKYKQMQAVBGN-UHFFFAOYSA-N 371.890 2.252 0 40 FEAB CC(=O)Nc1ccn2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 239808070 KFVYFLPEWMBZPQ-UHFFFAOYSA-N 352.350 2.316 0 40 FEAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(Cc2ccccc2)CC1 252549507 RJSOYWJGDXEXAR-LJQANCHMSA-N 367.449 2.207 0 40 FEAB O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565544915 URFSYQROHBNGSH-UHFFFAOYSA-N 368.437 2.173 0 40 FEAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(O)cc1 7458997 FPBBMHWSJXSDFS-UHFFFAOYSA-N 355.325 2.338 0 40 FEAB O=C(CCC1CCCC1)NCCS(=O)(=O)N1CCc2ccccc2C1 17200577 MUOSVKXXMPDHIH-UHFFFAOYSA-N 364.511 2.461 0 40 FEAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1cccnc1 206686899 RZADVLUSKAXEKS-HNNXBMFYSA-N 357.391 2.073 0 40 FEAB Cc1ccc(C(=O)C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c(C)c1 40086391 RYRCBKWEEARDKF-SFHVURJKSA-N 358.482 2.493 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3c3ccncc3)ccc21 40050698 KTAQLERCBQEHGT-INIZCTEOSA-N 364.405 2.082 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)o1 51097668 UDQGWSCRIKPSJQ-WMLDXEAASA-N 361.486 2.477 0 40 FEAB COc1ccc(CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 101168550 LCIFZKASHJLZJJ-CVEARBPZSA-N 354.341 2.328 0 40 FEAB CC(=O)Nc1ccc(OC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 32768193 RAYCLSGODQTLQQ-UHFFFAOYSA-N 351.366 2.213 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nncn2-c2cccnc2)cc1 916932 COICYIZHDQPKSF-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 4144132 VIYGZWZQNVZGJZ-OXJKWZBOSA-N 373.714 2.164 0 40 FEAB CCOCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4374989 NKFIIUAUWXEARQ-OAHLLOKOSA-N 374.890 2.036 0 40 FEAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cnns2)CC1 54709104 RMLFSFNQSFLQRD-UHFFFAOYSA-N 371.249 2.443 0 40 FEAB COc1cc(CNC(=O)Cc2csc(-c3ncccn3)n2)ccc1O 54773684 QYDIMXZHNHGTDP-UHFFFAOYSA-N 356.407 2.173 0 40 FEAB Cc1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 8477776 MFTBYQWSUMWNNZ-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB O=C(CCn1cnc2ccc(Cl)cc2c1=O)NC(=O)NC1CCCC1 25577007 VYTYCKFEPPUTQO-UHFFFAOYSA-N 362.817 2.208 0 40 FEAB O=C(CCc1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12542495 LPJAQCMHBGOMNU-UHFFFAOYSA-N 353.422 2.087 0 40 FEAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 9479914 NAJOLVDQYXLZKQ-RISCZKNCSA-N 362.455 2.256 0 40 FEAB COc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1 35324972 RNAPKDLCQYIOTB-UHFFFAOYSA-N 352.390 2.215 0 40 FEAB CC(C)CCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428738 YLDPHFRRLAFEJU-UHFFFAOYSA-N 371.462 2.376 0 40 FEAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2095451 VCCHESGIJUNSBM-GTNSWQLSSA-N 361.394 2.348 0 40 FEAB biogenic CC1CCN([C@H](C)CNC(=O)CCc2nc(-c3cccnc3)no2)CC1 58183582 AWCQGHRGYPVJND-OAHLLOKOSA-N 357.458 2.301 0 40 FEAB O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccnc(-n2ccnc2)c1 58218620 UKQRJAJLEIQYBB-UHFFFAOYSA-N 372.388 2.125 0 40 FEAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc(O)c(Cl)cc12 2123623 DGKFDADMJOAQJL-HNNXBMFYSA-N 367.785 2.228 0 40 FEAB biogenic CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 48261062 OESPXEVPGGAIHT-UHFFFAOYSA-N 360.385 2.361 0 40 FEAB COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 48276284 GCKQAXZRFPZTNJ-LBPRGKRZSA-N 351.449 2.341 0 40 FEAB COc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)cc1 2266162 JWMFKLIYXAMOHW-OAHLLOKOSA-N 363.377 2.471 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCc3ccccc32)cc1 58844787 FAAXENCMKKPITQ-UHFFFAOYSA-N 359.451 2.008 0 40 FEAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 27947146 LXBWDFBMSJUKBY-INIZCTEOSA-N 365.433 2.424 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)NCC1CCOCC1 72402847 WSOIXDDISHIQRA-UHFFFAOYSA-N 370.449 2.279 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC(=O)c3cccn3C)o2)cc1 3341950 PDUYZWXTJFIHBQ-UHFFFAOYSA-N 372.406 2.132 0 40 FEAB CC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1)C1CCCC1 12838126 MUMVFQSABJJMGW-MEBBXXQBSA-N 367.833 2.300 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 3436897 HGTXARSHWFXFSQ-SNVBAGLBSA-N 357.318 2.328 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)c1 12946552 SKGWLBZRZIEGRN-UHFFFAOYSA-N 361.467 2.014 0 40 FEAB CCCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1CC 6204463 FWXGAMTYSZBCKA-UHFFFAOYSA-N 353.473 2.354 0 40 FEAB CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 5351188 VABQQEZQCVSIKW-KGWSRGFLSA-N 369.465 2.252 0 40 FEAB O=C(Oc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccc2c(c1)OCO2 4554646 QYINCPWVXWEDGG-CJNGLKHVSA-N 373.386 2.423 0 40 FEAB CCc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2c(n1)c(C)nn2C 28557609 TZLBRCCTMALLHB-UHFFFAOYSA-N 370.501 2.463 0 40 FEAB CC(C)Oc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)cc1F 95455556 IAAAFENUAFWEPM-UHFFFAOYSA-N 366.414 2.190 0 40 FEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NC3CCCCC3)c2)C1=O 15858576 JUJWHDPNFLERPH-UHFFFAOYSA-N 364.467 2.452 0 40 FEAB O=C([C@@H]1CCCN1C(=O)COc1cccc(Cl)c1)N1CCSCC1 68361858 XBGIPXOJEIDRTC-HNNXBMFYSA-N 368.886 2.285 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 7990674 JLVVQACNPAQWIG-UHFFFAOYSA-N 350.378 2.011 0 40 FEAB Cc1nccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1 69114745 VGOWUCJZMOQEKU-ZDUSSCGKSA-N 361.396 2.389 0 40 FEAB FC(F)(F)Cn1c(SCc2ccccn2)nnc1N1CCOCC1 72051059 MHMTUCVCWRVHGA-UHFFFAOYSA-N 359.377 2.364 0 40 FEAB COCCn1cc(NC(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)cn1 83912254 LTEIZRLTMCDWSG-UHFFFAOYSA-N 364.405 2.359 0 40 FEAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)O)C3)c(C)c12 8764928 HCXYZDNJEHTXHL-ZDUSSCGKSA-N 373.405 2.284 0 40 FEAB biogenic CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N3CCCC[C@H]3C)n2)c1 18664722 LCDDPAGSPLYTCI-CQSZACIVSA-N 371.441 2.306 0 40 FEAB COCc1ccc(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4)n3C2)o1 95998155 YYZVCOGHUBKHOQ-CQSZACIVSA-N 352.394 2.429 0 40 FEAB C[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1Nc1cccc(F)n1 1043284376 OACUVMISSUGBJP-DAXOMENPSA-N 368.412 2.354 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccncc2)N=C1O 36597118 LVJCLIPMMAFJCI-RHSMWYFYSA-N 366.421 2.364 0 40 FEAB C[C@@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)N1CCc2ccccc2C1 79158415 CYSIGEUATRRJKK-ONGXBYRLSA-N 365.477 2.391 0 40 FEAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC[C@@H]1C1CCOCC1 564795467 CCEZGSOSOBGQMP-OAHLLOKOSA-N 353.440 2.273 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@]1(C)Sc2ccccc2NC1=O 71195603 KNPAGMGCIWTWAE-SGTLLEGYSA-N 356.451 2.417 0 40 FEAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)ccc1O 35590326 WZUYSUSQCMMTGH-MRXNPFEDSA-N 371.418 2.113 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)c1cccnc1 36584627 NGRVWEOIINAQHP-LJQANCHMSA-N 360.417 2.134 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217528305 CKLAFZOANOWPSB-VXGBXAGGSA-N 358.460 2.299 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccccc2)C1(CO)CO 218060345 OLZSWVYYVAOEAL-HZPDHXFCSA-N 352.839 2.251 0 40 FEAB CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(Cl)cc1 225809373 CTBCRINMUQEBSH-LALPHHSUSA-N 356.875 2.265 0 40 FEAB C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)N=c1nc(Cc2ccc(F)cc2)[nH]o1 568360661 JYKJLVCZBUUMRB-CJNGLKHVSA-N 373.432 2.312 0 40 FEAB Cc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)NC(=O)CC(=O)N3)CC2 531446583 WSVOZZZWZPVTOB-UHFFFAOYSA-N 371.418 2.027 0 40 FEAB Cc1cccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 95117187 PWPWSQQGCFDNSE-INIZCTEOSA-N 353.415 2.340 0 40 FEAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 96043499 IUTLNPMGPVKHFB-BZUAXINKSA-N 358.467 2.404 0 40 FEAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 96056956 ANLKBCPSDAQKCA-FUHWJXTLSA-N 352.500 2.224 0 40 FEAB O=C(c1cnccn1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96269025 JDJMPCDIKJYBSE-CQSZACIVSA-N 367.327 2.415 0 40 FEAB biogenic,in-vitro CCS(=O)(=O)N1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 96047307 DAVKZUWSWPVZFY-UHFFFAOYSA-N 356.513 2.416 0 40 FEAB CC(=O)Nc1nc(C)c(-c2cncc(C[C@H]3CCN(C(C)=O)C3)n2)s1 257295930 RAMQBRAMNBNLLG-CYBMUJFWSA-N 359.455 2.278 0 40 FEAB CCc1nocc1C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 612197663 YJVIFRQNYNHQJY-AWEZNQCLSA-N 359.426 2.259 0 40 FEAB COc1cnccc1N1CCN(C(=O)[C@@H]2COc3cc(F)ccc3C2)CC1 626795318 RWYSAFTUUXVNJG-HNNXBMFYSA-N 371.412 2.129 0 40 FEAB CC(C)c1nc(CCNC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)n(C)n1 1123939669 RQCGECKLSJCSND-SNVBAGLBSA-N 358.368 2.074 0 40 FEAB COC[C@](C)(N)CN=c1cc(C)[nH]c(-c2ccc(Br)cc2)n1 1162536149 BNASLANMYMXSMH-MRXNPFEDSA-N 365.275 2.412 0 40 FEAB CCOC[C@@H](C(=O)OC)N(C)C(=O)c1ccc(Br)cc1F 84801159 DWUPLLMRRHMAQE-LBPRGKRZSA-N 362.195 2.238 0 40 FEAB C[C@@H](CC(=O)NCCCOCC1CCOCC1)NC(=O)c1ccccc1 97596885 BHGPTUUBWWDVAH-INIZCTEOSA-N 362.470 2.145 0 40 FEAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NCc1ccc(F)cc1 5155162 IEUNAIKPQGQRJR-UHFFFAOYSA-N 361.320 2.336 0 40 FEAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)CN2CCCCC2)C1 12158090 QXHARQDMXCMNDF-RDJZCZTQSA-N 364.515 2.045 0 40 FEAB COc1cccc([C@H](NC(=O)c2ccncc2)c2nccn2C)c1OC 12221715 BWALWCOEOAWKDP-INIZCTEOSA-N 352.394 2.352 0 40 FEAB COc1cccc(CC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c1 12228362 BZMAPJPABZGJMN-UHFFFAOYSA-N 351.410 2.310 0 40 FEAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1ccnn1C)CC3 12667221 NGSUKLOQRKMORW-UHFFFAOYSA-N 364.409 2.295 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C)cc2)c1 16693608 OPTUZSDSWXJTMX-UHFFFAOYSA-N 355.437 2.295 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2cccs2)c2ccccn2)n1 19131071 ULEHGHHDRNGPRJ-INIZCTEOSA-N 354.435 2.108 0 40 FEAB COc1ccc(C)cc1CN1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 19133572 FVZTXXQZENWNRT-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1OCc1ccccn1 19575957 GWESWVVAKDTQOU-FFZOFVMBSA-N 353.466 2.300 0 40 FEAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1 19594413 WYAMCGHHVLFVMK-QGZVFWFLSA-N 367.449 2.356 0 40 FEAB COC(=O)[C@H]1CCc2nnc(-c3cc(OC)ccc3Br)n2C1 601045826 YNEFNGCWXLDMND-VIFPVBQESA-N 366.215 2.452 0 40 FEAB COc1cccc(C2(O)CCN(CCNC(=O)[C@H]3CC=CCC3)CC2)c1 12326302 CQHCFDMSKMBPFM-KRWDZBQOSA-N 358.482 2.451 0 40 FEAB CCc1nc2sc([C@H](c3cccs3)N3CCN(C)CC3)c(O)n2n1 22577972 IMLQXUXPJAGYAC-ZDUSSCGKSA-N 363.512 2.457 0 40 FEAB COC(=O)c1cc(CNC[C@H](O)COc2ccccc2C)ccc1OC 7059027 FOZYIUKTNZMRLV-INIZCTEOSA-N 359.422 2.320 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccccc1=O 7522578 NWVQBDKSXWNBQD-UHFFFAOYSA-N 368.220 2.252 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 1565544479 LSZKJGPOENEQET-HIFRSBDPSA-N 365.437 2.354 0 40 FEAB O=S(=O)(Nc1ccc(I)cc1)N1CCCCC1 2697151 DTXVVGGBTQYGDS-UHFFFAOYSA-N 366.224 2.434 0 40 FEAB CCc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940701 DVNQPZUVZAFYNT-GFCCVEGCSA-N 358.419 2.421 0 40 FEAB COCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1 101113688 CCIOPPZDIDITLJ-OQKWZONESA-N 352.394 2.499 0 40 FEAB O=C(NC1CCN(c2ncccn2)CC1)c1c[nH]nc1-c1ccc(F)cc1 40108844 LJXBVKGJXFZTDV-UHFFFAOYSA-N 366.400 2.405 0 40 FEAB CC(C)N(C)Cc1ccccc1CNC(=O)c1cccnc1-n1cncn1 40094706 BUWPXMTVMPMLFV-UHFFFAOYSA-N 364.453 2.433 0 40 FEAB O=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1cccc2ncccc12 40267434 PUBXCKHRUNSICO-UHFFFAOYSA-N 365.393 2.471 0 40 FEAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCNC(=O)c1cccnc1 32365038 GMWGRRBSFOBFMP-NJAFHUGGSA-N 361.486 2.405 0 40 FEAB CC(C)CN1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 32434700 LKUFPBDWFFISSZ-GFCCVEGCSA-N 364.870 2.114 0 40 FEAB COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 32903669 UKKDFHLQBAKVBH-GFCCVEGCSA-N 360.341 2.193 0 40 FEAB COc1ccccc1[C@H](CNC(=O)CCNc1ncccn1)N1CCCC1 32928322 INQYKIQPWPLHPP-KRWDZBQOSA-N 369.469 2.241 0 40 FEAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC[C@H]1CCCO1 32946334 GIHZPHDHVZCRRW-BXUZGUMPSA-N 364.446 2.397 0 40 FEAB O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(C[C@H]2CCCO2)CC1 22038567 SVHIHORYHJCBMG-RTBURBONSA-N 368.905 2.014 0 40 FEAB CC1(C)NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 787180 AZOOMDBPVDCWLE-INIZCTEOSA-N 354.406 2.424 0 40 FEAB O=C(O)C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)c2ccccc21 78001711 IIAQJZPZABRPSO-NSHDSACASA-N 357.391 2.330 0 40 FEAB Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)c1 1623964 ZCTUUXXPXUVAIW-INIZCTEOSA-N 358.419 2.427 0 40 FEAB O=C(COC(=O)[C@@H]1CC=CCC1)NCc1ccc(C(=O)N2CCCC2)cc1 22436414 FNXQGBNYLCUNQZ-GOSISDBHSA-N 370.449 2.438 0 40 FEAB COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 2809754 HKGFAMQWXBOYHV-IOQCUFBNSA-N 361.419 2.080 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nnn[nH]2)c(OC)c1 4599306 MDVHMQWDAMJIEK-OAHLLOKOSA-N 371.372 2.321 0 40 FEAB COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 881532 NOFZBVUVMAJRAM-UHFFFAOYSA-N 372.406 2.000 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@H]2C(C)C)cc1 4999053 YHGMKICHGBYMLR-CJNGLKHVSA-N 369.487 2.054 0 40 FEAB Cc1ccc(OCC(=O)O[C@H](C)C(=O)NC2CC2)c(Br)c1 7935765 QJAPHPNMGYPTLP-SNVBAGLBSA-N 356.216 2.347 0 40 FEAB CCOc1ccc(OC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1 43085481 DBLXZXALBNINJZ-UHFFFAOYSA-N 367.361 2.038 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)NCCCOCc1ccccc1 24865366 DVBLUEQMYARUQY-UHFFFAOYSA-N 362.451 2.395 0 40 FEAB COC(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 48008626 KMTMSNBSUPZASL-UHFFFAOYSA-N 354.410 2.218 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccsc1 25331965 SGLXLUUHNKTONM-HNNXBMFYSA-N 367.496 2.152 0 40 FEAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCn1ccnc1 48141539 OVVDUUWZSUURJW-JTQLQIEISA-N 355.225 2.125 0 40 FEAB COc1ccccc1CNC(=O)CSCc1nc2ccccc2c(=O)[nH]1 35686411 XAWHWJQLRYRRPZ-UHFFFAOYSA-N 369.446 2.481 0 40 FEAB Cc1cnc(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cn1 58246722 LWLWEHZZCQTYLP-UHFFFAOYSA-N 363.215 2.224 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 48354318 VOCPAFOXJYHUMM-UHFFFAOYSA-N 357.334 2.401 0 40 FEAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCc2sccc2C1 10924934 MKGPHAKTOPLZFT-UHFFFAOYSA-N 362.476 2.487 0 40 FEAB O=c1n(CCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)nc2ccccn12 108386997 USHXSKHTBRICKY-IBGZPJMESA-N 370.428 2.081 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(F)cc1 45574705 NCBQGFTUKXPKSC-UHFFFAOYSA-N 358.369 2.333 0 40 FEAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(CC(=O)O)cc2n(C)c1=O 2400608 RUFUXODBWWMWPR-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB NC(=O)C1CCN(C(=O)CSCc2cccc(Br)c2)CC1 66319267 GQQPEPQSWMNTNI-UHFFFAOYSA-N 371.300 2.406 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)Cc3ccccc3F)CC2)cc1 12974079 BYYJRVOFSNIRQW-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 8757011 JVVJDWXLVMHXME-UHFFFAOYSA-N 362.407 2.008 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2cc(OC)ccc2OC)cc1 20106734 HGLNQBZUWTVHSX-UHFFFAOYSA-N 365.407 2.432 0 40 FEAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc2nsnc12 19078459 JMPNBORLPDXUOF-UHFFFAOYSA-N 353.363 2.363 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 19037976 GXDOSWPMSYZZFM-UHFFFAOYSA-N 358.375 2.346 0 40 FEAB CN(c1ccc(-c2csc(N3CCOCC3)n2)cc1)S(C)(=O)=O 9689972 BAOHHZAITPABOY-UHFFFAOYSA-N 353.469 2.043 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000081 KFLMBHQYPKTBKE-UHFFFAOYSA-N 357.797 2.301 0 40 FEAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1 408587409 BTCDGMYJBSURGF-UHFFFAOYSA-N 362.455 2.338 0 40 FEAB COc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1C(=O)N(C)C 71284209 OLVJAIDZCPQRCC-UHFFFAOYSA-N 356.378 2.276 0 40 FEAB O=C1CN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CCN1 14184212 NMXGOSCBJDSHQB-UHFFFAOYSA-N 352.419 2.173 0 40 FEAB C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2S1 14140308 IKSPAHDMJMEEKH-LBPRGKRZSA-N 369.450 2.048 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2CCC2)cc1 6639626 WJDQOVMBHNIKHD-GFCCVEGCSA-N 368.455 2.044 0 40 FEAB CC1=NN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@](C)(O)C1 4700103 QHGVBSVAFXSYFD-WIYYLYMNSA-N 365.433 2.344 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccncc3)c2C(N)=O)C1 5718096 PMZKWSPRWARNFI-JTQLQIEISA-N 373.434 2.162 0 40 FEAB O=C(NCCSCc1ccnc(Cl)c1)NCc1nnc2n1CCC2 96004143 RXROTHCLEQYHTR-UHFFFAOYSA-N 366.878 2.005 0 40 FEAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CC1 5970791 NVIZLSSKOFFHHZ-ZDUSSCGKSA-N 359.426 2.141 0 40 FEAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 9337668 PTMSWXCZBPSRCR-CYBMUJFWSA-N 360.435 2.174 0 40 FEAB C[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H](c2ccccc2)O1 67831191 INSQMMGXUQMZKJ-RHSMWYFYSA-N 357.410 2.067 0 40 FEAB CNC(=O)[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)c1ccccc1 69566310 JEZZGPGZQDVHGZ-ICSRJNTNSA-N 351.450 2.079 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(N2CCCCC2=O)c1 69629884 IQIYOTGJHOBQEM-CQSZACIVSA-N 358.442 2.336 0 40 FEAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1cnc(-c2ncccn2)s1 95425293 KIFKXNTWWJECRH-ZDUSSCGKSA-N 368.418 2.273 0 40 FEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)O2 95464543 QDXGPVNIMLXARP-YEHLNFIWSA-N 366.502 2.068 0 40 FEAB CCc1nc(CS(=O)(=O)Cc2cnc3c(c2)c(C)nn3C)cs1 89289962 WVCBSVJWBUHFTL-UHFFFAOYSA-N 350.469 2.411 0 40 FEAB CC(=O)c1nc(CCN2CCc3c(cccc3N3CCOC3=O)C2)[nH]c1C 89547795 OVBQTZMZYRAGGN-UHFFFAOYSA-N 368.437 2.478 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3nccn3C)no2)c1C 89984774 DADVPSQBZFKVMV-UHFFFAOYSA-N 357.370 2.449 0 40 FEAB CNC(=O)c1cccc(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)c1 24623831 HIRQIRPKCDXCHN-UHFFFAOYSA-N 366.421 2.260 0 40 FEAB CN1CCN(Cc2ccc(CNC(=O)c3occ4c3CCC4)cc2)CC1 506516833 RUFACPZSCOSCLY-UHFFFAOYSA-N 353.466 2.446 0 40 FEAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC(=O)NC1CCCCC1 39582873 OOCNQNREECHHRZ-JTQLQIEISA-N 353.806 2.439 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccccn2)N=C1O 36589854 KPKZPVYKTLINSC-PBHICJAKSA-N 366.421 2.364 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc3[nH]ccc3c2)c1C 524732676 VNNFFXBUIHHBAT-UHFFFAOYSA-N 355.394 2.302 0 40 FEAB O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 180165415 CFFIWECHPWKFJK-SUMWQHHRSA-N 374.391 2.303 0 40 FEAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(I)c2)C1 216873693 BFOOLPZRRGWJOQ-VIFPVBQESA-N 359.163 2.207 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218490694 USVMYHLLOBQKDQ-ULQDDVLXSA-N 351.855 2.278 0 40 FEAB COc1ccc2cc(C(=O)N3CC[C@@H](Oc4nccnc4OC)C3)[nH]c2c1 225808368 SKWZYSHTGDHCRW-CQSZACIVSA-N 368.393 2.269 0 40 FEAB CCc1ccc(OCC(=O)Nc2nnc(SCC(=O)OC)s2)cc1 224543195 INCGUNMZJLLREW-UHFFFAOYSA-N 367.452 2.383 0 40 FEAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CCc4cc(F)ccc43)C2)nn1 572782360 TUTRHIPJWBVLLF-HIFRSBDPSA-N 358.373 2.009 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(F)c1 223835306 VULVXGIALAEVNP-UHFFFAOYSA-N 368.405 2.090 0 40 FEAB CC(C)Oc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)cc1Cl 584908000 JJXIBJVSWYHSOM-UHFFFAOYSA-N 356.806 2.228 0 40 FEAB Cc1nnc(NC[C@H]2CO[C@]3(COCCN(Cc4ccccc4)C3)C2)o1 96240593 LFMSMGHBGWJXEK-PKOBYXMFSA-N 358.442 2.098 0 40 FEAB CC(C)n1cc([C@]2(O)CCCN(C(=O)CCOc3ccccc3)C2)nn1 583617666 COZQWARUAUMHNH-IBGZPJMESA-N 358.442 2.138 0 40 FEAB COc1ccc(NCc2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 95533828 DGJAOJAGIJOPKI-GOSISDBHSA-N 369.425 2.491 0 40 FEAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(S(C)(=O)=O)CC2 96145004 QELDVNMYAWWNFB-UHFFFAOYSA-N 374.510 2.136 0 40 FEAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccnc1 96207684 HKOOLJZXULCSOB-SLFFLAALSA-N 351.450 2.377 0 40 FEAB O=C(c1cccs1)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 96051279 FWPYCHNIBUGUOV-IBGZPJMESA-N 372.446 2.023 0 40 FEAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 96055584 XWPAPBBJJILZOI-ZACQAIPSSA-N 350.484 2.023 0 40 FEAB COC[C@H]1CN(C)CC12CCN(C(=O)c1ccc3c(c1)OCCCO3)CC2 248159665 WZLSZKXJXPKGJD-QGZVFWFLSA-N 374.481 2.278 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1Cc1ccoc1 253590470 BONPHBBRYKYEGJ-AWEZNQCLSA-N 351.410 2.378 0 40 FEAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)/C=C/c2ccccc2)n1 257314716 UYECRMRVCCNICH-FVNWOWOISA-N 352.438 2.464 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1cnccn1 253599826 VDOSXJNGSVPJTO-HNNXBMFYSA-N 372.494 2.258 0 40 FEAB CC(C)n1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257202628 AMROFQPWSKOBBN-UHFFFAOYSA-N 363.487 2.135 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CC1 257260814 LEMRMVATPFUCLF-HNNXBMFYSA-N 356.470 2.031 0 40 FEAB Cn1cc(C(=O)N2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 257334040 YEGOILRUACLSFY-ICSRJNTNSA-N 355.438 2.401 0 40 FEAB CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257327670 XCFWRPGWBROWQK-ONTIZHBOSA-N 373.541 2.002 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N1C[C@H](C)CN(C)c2ccccc21)n1cccn1 607916955 SZIMKIVQHBLVKW-CVEARBPZSA-N 369.469 2.022 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1coc2c(C)c(C)ccc12 643953500 TXURZHXJIBRAFQ-FQEVSTJZSA-N 358.438 2.346 0 40 FEAB Cc1ccccc1[C@H]1CN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CCO1 654638760 IPHWNMWHNJLWLL-HZPDHXFCSA-N 371.441 2.248 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CCO1 669503375 FEJHUCFDQAGRAP-STQMWFEESA-N 360.332 2.045 0 40 FEAB O=C(Cc1ccc2ccccc2c1)N1C[C@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1776006352 RZKLVBBRKBSDNJ-BGYRXZFFSA-N 353.374 2.160 0 40 FEAB CCc1c(C)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)[nH]c1=O 5021628 NCUAYFVTDAYVMC-UHFFFAOYSA-N 361.423 2.143 0 40 FEAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 5883012 QQZSSIURAJYXHY-UHFFFAOYSA-N 362.432 2.288 0 40 FEAB Cc1nc2cc([C@H]3CCCCN3C(=O)c3ccnn3C)nn2c(O)c1C 12161602 UEDZHOXAZMUYPW-CQSZACIVSA-N 354.414 2.153 0 40 FEAB Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 13225860 VPMQWPOJFTTXMO-UHFFFAOYSA-N 354.414 2.344 0 40 FEAB COCCNC(=S)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1 13658124 VUTBGULVHCNAAP-UHFFFAOYSA-N 350.488 2.102 0 40 FEAB COc1ccccc1CN1CCc2nc(-c3cnc(C)cn3)[nH]c(=O)c2C1 19239083 KHAUTAYKHRZDDJ-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCN(Cc2ccccn2)CC1 19457745 BBPAMTJASSLNFK-KRWDZBQOSA-N 363.465 2.412 0 40 FEAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O 6436148 VRQMHVMWXFPUDC-UHFFFAOYSA-N 358.181 2.131 0 40 FEAB Cc1nnc(N2CC(NC(=O)c3cccc(Br)c3)C2)s1 1888854266 SFIGHNGSRQRINB-UHFFFAOYSA-N 353.245 2.228 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 21704429 IMYCRKPOYBKGRL-INIZCTEOSA-N 370.384 2.388 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)cc1 21913454 RVUCFULWAHQWIY-SECBINFHSA-N 358.833 2.397 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cnc[nH]3)CC2)CN1c1ccc(F)cc1 2037839964 GTBJPBKOUSVTBE-LJQANCHMSA-N 358.417 2.337 0 40 FEAB NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2-c1ccccc1F 4518708 FVIDHNFRZWGJFY-UHFFFAOYSA-N 367.315 2.153 0 40 FEAB COc1ccc(NC(=O)C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 9737953 OLLFBLLSBRYDBW-UHFFFAOYSA-N 365.389 2.108 0 40 FEAB COCCNC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 11834891 UOBMKSMNRYGZCS-UHFFFAOYSA-N 351.403 2.230 0 40 FEAB COc1ccccc1CN[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745610 NTEDLBAJQCYDIM-OAHLLOKOSA-N 355.438 2.470 0 40 FEAB COc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)SCC3 49403654 ATMSYOBMPLJOJD-UHFFFAOYSA-N 367.430 2.441 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 30032316 YYWCNOQLRQGLAS-ZUZCIYMTSA-N 371.418 2.172 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cn2)C[C@H](C)O1 30038038 GWGZXCJJBRHHJP-KBPBESRZSA-N 355.442 2.409 0 40 FEAB Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc12 32905322 SMAZHLCXPMWOKW-UHFFFAOYSA-N 374.422 2.239 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)n(C)c1 8881916 ZVQDMBNPNQNSDV-UHFFFAOYSA-N 353.419 2.447 0 40 FEAB O=S(=O)(C[C@H]1CCCCO1)Nc1cccc(Cl)c1-n1cncn1 76935903 ZPAONLXCPWKESL-LLVKDONJSA-N 356.835 2.232 0 40 FEAB COc1ccc(OC)c(CCNC(=O)c2ccc(Cn3cncn3)cc2)c1 53347859 KUNYCCOMEBQXJZ-UHFFFAOYSA-N 366.421 2.316 0 40 FEAB C[C@H](Nc1ccc(S(N)(=O)=O)cc1C(N)=O)c1ccc2c(c1)CCCC2 79057936 SUSAPIDIPZDHMP-LBPRGKRZSA-N 373.478 2.485 0 40 FEAB Cc1nnc(SC(C)(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 22636551 JMJMAAIKZIRUNI-UHFFFAOYSA-N 372.497 2.003 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 4260425 YZFUSTKQFYOXGV-MTQWCTHYSA-N 353.418 2.476 0 40 FEAB biogenic,in-vitro C[C@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@@H](C)O1 54116725 WICOWVVKLDOVHW-GASCZTMLSA-N 355.438 2.373 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C)n1-n1cccc1 4518487 OTDCUDIRYKOCRP-UHFFFAOYSA-N 371.422 2.217 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 55527080 YCAQDDWHRGHQCP-QWRGUYRKSA-N 350.362 2.185 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24792245 LDXRKBLZEDEJAR-UHFFFAOYSA-N 366.469 2.096 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12557164 CVQVHACYPNIZCE-UHFFFAOYSA-N 360.391 2.078 0 40 FEAB CCOC(=O)c1n[nH]cc1CN1CCCN(c2cccc(OC)c2)CC1 57811403 UNQIWRICXVEMSI-UHFFFAOYSA-N 358.442 2.307 0 40 FEAB C[C@@H](OCCCNC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 26151189 RPYYCKVOHKGHBI-QGZVFWFLSA-N 369.469 2.476 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(Nc1cc(C)ccc1C)CS2 101342428 IULHEEYHUKYJDO-KRWDZBQOSA-N 360.487 2.068 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1nc2cc3c(cc2s1)OCCO3 12621411 CHOIHYZQCPTBLL-UHFFFAOYSA-N 363.420 2.238 0 40 FEAB COc1cc(C(=O)NCCCCN2CCOCC2)ccc1OC(F)F 48284940 JPXWTMNITDSANL-UHFFFAOYSA-N 358.385 2.139 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3C)C2=O)o1 58217997 WWWSGEALDNJNGT-HXUWFJFHSA-N 369.421 2.022 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58394313 WKLOPAIYACTSRX-OSMZGAPFSA-N 358.360 2.017 0 40 FEAB Cc1ncc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)s1 58370834 ARMRNFKZZLLVHO-UHFFFAOYSA-N 371.509 2.160 0 40 FEAB NC(=O)[C@@H]1CC(C(=O)NC2(c3ccccc3)CCC2)=NN1c1ccccc1 58417891 GQKVKODVVSJNDN-SFHVURJKSA-N 362.433 2.302 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 3334936 NTBXLWLTLJSCSW-OAQYLSRUSA-N 363.461 2.309 0 40 FEAB Cc1sc2ncnc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)c2c1C 29831569 TZLIFZCCDYMPFA-GJZGRUSLSA-N 362.499 2.457 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)NCC2CCCCC2)cc1 3501819 HJMZTDYXDQTWBN-UHFFFAOYSA-N 361.471 2.460 0 40 FEAB Fc1ccc(CN2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@H]3C2)cc1 306138797 SHSWCXOFZHSZIQ-AEFFLSMTSA-N 354.429 2.224 0 40 FEAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)nc2n1 6057106 CDVPCXGVXFLPOY-LLVKDONJSA-N 357.345 2.064 0 40 FEAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)N[C@@H](C)C(=O)O 5206699 SOJVTVARKODFLQ-NSHDSACASA-N 366.377 2.493 0 40 FEAB COc1ccc(OCC(=O)Nc2ccc(OC(C)=O)cc2C(=O)O)cc1 4824108 QSHCVMNOWBQKNL-UHFFFAOYSA-N 359.334 2.336 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NC1CCCCCC1 9484204 DIMZGPYYPHOCPT-FQEVSTJZSA-N 371.437 2.055 0 40 FEAB C[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)O1 68484440 SKLSXNJHRPQBGI-GFCCVEGCSA-N 374.890 2.323 0 40 FEAB COC(=O)C[C@H](C)NC(=O)Nc1cccc(Cl)c1N1CCOCC1 72311272 YCESLYPOVIVTFO-NSHDSACASA-N 355.822 2.250 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3sccc23)CC1 7983002 FCELVGBBDVCNAR-UHFFFAOYSA-N 366.493 2.264 0 40 FEAB CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)OC)CC3)CC2=O)cc1 8262292 RRQJQQUOKQZGFF-MRXNPFEDSA-N 358.438 2.014 0 40 FEAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)C(N)=O 8489517 ZHKRJGJJOBMXNY-MWLCHTKSSA-N 367.858 2.195 0 40 FEAB O=C(CNC(=O)c1cccc(N2CCCC2=O)c1)Nc1ccc(F)c(F)c1 17914821 IZVAAYOSTIUSHO-UHFFFAOYSA-N 373.359 2.460 0 40 FEAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1cccc(F)c1 69982202 NMZXDSVHDVEIJW-UHFFFAOYSA-N 368.397 2.220 0 40 FEAB O=C(CN1CCC[C@H]1c1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 69925658 BDYWUEBJOJSPSO-APWZRJJASA-N 372.490 2.280 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)c3ccccc3-n3cnnn3)c2c1 72402567 BORGYULOGPBPLK-UHFFFAOYSA-N 362.393 2.125 0 40 FEAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 25378565 ZYRHQUFWAMPDCO-HNNXBMFYSA-N 374.466 2.060 0 40 FEAB O=C(NCc1ccccc1)c1ccccc1OCCN1CCCS1(=O)=O 95431456 XQUIHZQORZKVNG-UHFFFAOYSA-N 374.462 2.031 0 40 FEAB Cc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 408927515 WJFRMCRVDIMLOU-UHFFFAOYSA-N 358.529 2.409 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)N1CCOCC1)c1ccccc1 95966255 VASRCRAATHWONE-HXUWFJFHSA-N 368.433 2.447 0 40 FEAB O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1c2ccccc2C[C@H]1O 89509597 GKHUCVICMVDGJZ-NQIIRXRSSA-N 350.418 2.130 0 40 FEAB C[C@H](NC(=O)c1ncc(C(N)=O)cc1Cl)c1nc(C(C)(C)C)no1 89913622 CRCRGNIOSFIDAU-ZETCQYMHSA-N 351.794 2.005 0 40 FEAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)c1 26936395 RVDNNNSMZXGGQM-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)c(COC)nn2c1=O 408541483 CWWYCJVMPXTRMN-UHFFFAOYSA-N 355.394 2.250 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCC[C@@H]3C(=O)O)c(=O)oc2c1C 2102762 QSMWBKZZGXMYCO-CQSZACIVSA-N 359.378 2.037 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 218575349 IKTCSXCRBBOLAE-ZACQAIPSSA-N 350.871 2.244 0 40 FEAB Cc1cc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c2c(C)n[nH]c2n1 524650382 XFMRIOSXDWFSPH-UHFFFAOYSA-N 363.465 2.404 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)N[C@@H]1CCNC12CCC2 529303742 BSZRNTWVRWMECT-XJKSGUPXSA-N 350.413 2.127 0 40 FEAB Cn1ncc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c1Cl 71195668 WSIMSMUZUVYRNI-ZDUSSCGKSA-N 356.817 2.462 0 40 FEAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1 70838625 LFISOEGFLKZFEX-UHFFFAOYSA-N 366.336 2.207 0 40 FEAB CN(C(=O)c1cnn2cccnc12)c1nc2c(s1)[C@H]1CC[C@@H](C2)N1C 72325668 RKRXRBKIPLIMHS-GXFFZTMASA-N 354.439 2.154 0 40 FEAB COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 49543940 LVAFXTOGUVXPOT-LBPRGKRZSA-N 356.357 2.093 0 40 FEAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)OC 223705714 RSGWILOTOPCVCS-IAGOWNOFSA-N 358.467 2.439 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cnccn2)n1 75157968 HBPIFLLKGKVYMM-ZDUSSCGKSA-N 365.393 2.468 0 40 FEAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCN(C)C 223893806 FPGWLFWZMGHLAX-JXAWBTAJSA-N 355.438 2.427 0 40 FEAB COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCCCOC(C)C)cc1 222974570 MXOACAOIVMSFTK-OAHLLOKOSA-N 350.459 2.364 0 40 FEAB CN(C)c1cnnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 224309509 FHHIUSUWRLJTCK-UHFFFAOYSA-N 359.861 2.087 0 40 FEAB CCOc1ccc(-c2cnc(CCC(=O)N3CCC(C(N)=O)CC3)o2)cc1 224860645 CKNJWBSVRXQXMZ-UHFFFAOYSA-N 371.437 2.397 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@H](CO)c2ccccc21 576937294 CBEOZQQRWSUHQQ-SNVBAGLBSA-N 353.421 2.040 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)o1 96057725 AQVKFKQUVGPHIF-YSVLISHTSA-N 358.394 2.117 0 40 FEAB O=C(NCc1ccccc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259593 IFWHUJKXXHTAOC-UHFFFAOYSA-N 368.485 2.380 0 40 FEAB O=C(c1cccc2cccnc12)N1CCn2nnc(COCC3CC3)c2C1 96255973 OGUDVFZQKCDEJS-UHFFFAOYSA-N 363.421 2.409 0 40 FEAB COc1cccc(CCNC(=O)[C@H]2c3c(ncn3C)CCN2C(C)C)c1 96147152 HBZSHNPTQJSJGN-LJQANCHMSA-N 356.470 2.095 0 40 FEAB COC[C@H]1COCCC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 96106300 AAUHBRWDIFUYON-INIZCTEOSA-N 353.484 2.449 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 247875205 SPTXACCEVYOYLA-LJQANCHMSA-N 355.438 2.237 0 40 FEAB Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257217047 CXEXHONESQEDCN-IBGZPJMESA-N 358.442 2.263 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257232097 GJKPIFNSOYYICU-INIZCTEOSA-N 352.504 2.256 0 40 FEAB C[C@@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027914 JLKWMWWDAXZDEJ-SJKOYZFVSA-N 369.373 2.109 0 40 FEAB CN(C)Cc1cnc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)[nH]1 257293611 QQJIECCTPABPFG-KRWDZBQOSA-N 353.426 2.166 0 40 FEAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 260907920 UEKGKLZBDPJPLW-QWHCGFSZSA-N 372.487 2.019 0 40 FEAB Cc1oc2ncnc(O)c2c1C(=O)NCC1(N(C)C)Cc2ccccc2C1 607669994 XSRRPSXGNBGOKJ-UHFFFAOYSA-N 366.421 2.066 0 40 FEAB CN(CCN(C)C(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 1151344612 QPKMEPBBWLVKIR-UHFFFAOYSA-N 353.422 2.222 0 40 FEAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@H](C)c1cc2n(n1)CCC2 658051099 PXUNQCSLKPYFTQ-ZXYWRSMDSA-N 356.474 2.277 0 40 FEAB CCc1nc([C@H]2CCCCN2C(=O)c2cccc(OCC(=O)O)c2)no1 663076084 UDNFTQQTGWZANT-CQSZACIVSA-N 359.382 2.463 0 40 FEAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2n[nH]c3ccccc23)C1 1775957061 AZPJMSSHQQVVJF-DZGCQCFKSA-N 352.394 2.266 0 40 FEAB Cc1c(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cnn1-c1ccccc1 390826017 ZUJYKBVVZZBVOK-INIZCTEOSA-N 367.384 2.403 0 40 FEAB CN(C)C/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 585289967 OYUJEUOZQGVEHI-QAWDHVRNSA-N 358.482 2.471 0 40 FEAB C[C@@H]1CN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC2(CCC2)O1 1564909798 DGCJSLWISJKMFF-OAHLLOKOSA-N 373.453 2.360 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2c(F)cccc2F)oc1C 84028447 FRIGWUKTHWIKPS-UHFFFAOYSA-N 366.320 2.250 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)NC[C@@H]1CCCO1 5167342 WUMAWECGWMWGHV-AWEZNQCLSA-N 369.450 2.179 0 40 FEAB C[C@H](OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 5876831 ZNOWNILSWVUJDV-SVKFGRERSA-N 366.414 2.150 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 12118986 GLTMHXSKMYMFCU-ZYHUDNBSSA-N 369.347 2.028 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@@H]2OCCc3ccccc32)c(OC)c1 16857391 BZGHICLIGDQSKP-SFHVURJKSA-N 370.405 2.073 0 40 FEAB c1ccc(CCn2nnnc2CN2CCN(Cc3ccccc3)CC2)cc1 19371487 KFSQSILDNUQYRK-UHFFFAOYSA-N 362.481 2.234 0 40 FEAB COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OCC(N)=O 8757274 COGZFTILXGVPDQ-UHFFFAOYSA-N 372.377 2.023 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC(COc2ccc3nccn3n2)CC1 1888847542 UXXJBJDUBHWOOA-UHFFFAOYSA-N 350.369 2.392 0 40 FEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)Nc2c(F)cccc2F)OCC1=O 1888873367 RFWZHPBRMMXJRT-HWRGOXINSA-N 365.380 2.351 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)ccc12 15324744 QWVJXTBAEBEGLA-ACJLOTCBSA-N 358.419 2.494 0 40 FEAB CCn1nc(C)c(S(=O)(=O)N2CCc3nc4ncccc4cc3C2)c1C 1890672529 DMVBPYLJSWLBOR-UHFFFAOYSA-N 371.466 2.210 0 40 FEAB CCCCNC(=O)CN1CCN(Cc2cccc(OCC)c2OC)CC1 22793245 SYXLHVXEDHIWOV-UHFFFAOYSA-N 363.502 2.128 0 40 FEAB CCC(=O)Nc1ccc(SCC(=O)NCc2cccc(OC)c2)nn1 11739068 ITRJTTAYWOQERA-UHFFFAOYSA-N 360.439 2.242 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]21 2055750943 PEHICAIEHIJWLN-NSHGMRRFSA-N 359.470 2.449 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(COCCN(c4nnc(C)o4)C3)C2)o1 2055819284 KISUADXUFHFKED-GOSISDBHSA-N 360.414 2.039 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 206621929 MJDJNSSIVOQMDI-INIZCTEOSA-N 370.327 2.347 0 40 FEAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cnn1-c1ccccc1 19374438 QJUFOPKZMBKUCZ-KRWDZBQOSA-N 361.405 2.337 0 40 FEAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 2332241697 WGTZOFSNRSLHEY-USXIJHARSA-N 369.469 2.181 0 40 FEAB COc1cc(CNC2CCN(C(=O)c3ccoc3)CC2)cc2c1OCCO2 30669013 SNSIUACFDKJYTH-UHFFFAOYSA-N 372.421 2.454 0 40 FEAB CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)c2ccnn2C)s1 20446134 KYISVOKRRZOVOL-UHFFFAOYSA-N 362.455 2.330 0 40 FEAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 32596959 HXVWFWODQSRTJP-UHFFFAOYSA-N 360.391 2.013 0 40 FEAB CCN1CCN(CCCNC(=O)c2ccc(Br)cc2F)CC1 41442622 UDBGKUQGNKJKIS-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB CNC(=O)C1CCN([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 12334583 SAAFYNTYGNETKX-KRWDZBQOSA-N 371.525 2.314 0 40 FEAB C[C@H](NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1)c1ccccc1 1376409 NTGKGDRIAPBNJE-AWEZNQCLSA-N 350.426 2.284 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 4568586 XDXMMGOMZPTEDU-AWEZNQCLSA-N 366.483 2.155 0 40 FEAB COc1ccccc1NC(=O)[C@H]1CCCN(c2cc(C)nc3ncnn23)C1 4898171 XAWUUZIJCGCRNW-AWEZNQCLSA-N 366.425 2.296 0 40 FEAB COc1cccc([C@]2(C)NC(=O)N(CN3CCc4ccccc4C3)C2=O)c1 23381325 WSMUJOSIPZFBQO-NRFANRHFSA-N 365.433 2.478 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 23652731 PCESZMRMYPAYMT-VBKZILBWSA-N 373.453 2.348 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1F 10110227 JETFCXMECBKXJO-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCCCCC1 10111290 WZIBYMXYVVIGPD-UHFFFAOYSA-N 367.515 2.362 0 40 FEAB CCc1nc2ccccc2n1C[C@H](O)COc1ccc(CC(N)=O)cc1 3077684 RYLZELVGHMVFLR-HNNXBMFYSA-N 353.422 2.066 0 40 FEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 8732518 SPDAFRTXUUHVND-CQSZACIVSA-N 368.389 2.450 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1cc(N2CCCC2=O)ccc1F 55663543 JTDBYPOKOWTJTK-UHFFFAOYSA-N 353.375 2.358 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)N(C)C(=O)N[C@H]1c1ccccc1 12535613 SIASIRYBSSCUED-HNNXBMFYSA-N 372.450 2.336 0 40 FEAB CN1CC[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H]1c1ccccc1 107540621 QJWOLSJWGCHULC-SJLPKXTDSA-N 357.479 2.430 0 40 FEAB CCOCCCNC(=O)C1CCN(C(=O)Cn2ccc3ccccc32)CC1 58182160 XWXANBXZMGDQOE-UHFFFAOYSA-N 371.481 2.423 0 40 FEAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccncc2)C3)c(OC)n1 100149476 ZKCYCOJBHCZSOF-HZPDHXFCSA-N 370.453 2.009 0 40 FEAB CN(C)c1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccn1 48290616 OKXDQMODSQTVJY-QGZVFWFLSA-N 352.438 2.241 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1C(=O)O 28258730 LQEOEBDIMPHWIQ-UHFFFAOYSA-N 368.798 2.246 0 40 FEAB CCn1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)n1 36615333 HOXNFMZVMKXUSY-UHFFFAOYSA-N 358.261 2.486 0 40 FEAB Cn1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C(N)=O 48356341 MFHONTBAFSGYRR-UHFFFAOYSA-N 359.407 2.113 0 40 FEAB CCCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[C@H]1CCS(=O)(=O)C1 29763156 KILCAXQFLJBKMR-ZFWWWQNUSA-N 357.859 2.069 0 40 FEAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1 8877268 DGUKZHSZRXOHKR-UHFFFAOYSA-N 365.437 2.212 0 40 FEAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 13195852 UXYUFMGJYAQTHW-INIZCTEOSA-N 374.418 2.066 0 40 FEAB CC(C)OCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029787 VULCXLRDQRLDKG-NRFANRHFSA-N 369.465 2.425 0 40 FEAB biogenic CCOC(=O)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 5047306 DCMDDMVWBHKUCM-UHFFFAOYSA-N 368.769 2.412 0 40 FEAB COc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2N)cc1 9053372 AVDAXQGPFAFJRW-UHFFFAOYSA-N 357.801 2.442 0 40 FEAB COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71287664 MRJXXZBGYJDENF-CABCVRRESA-N 362.426 2.376 0 40 FEAB COc1ccc(/C=C/C(=O)NCCC2=CSC3=NCCN23)cc1OC 5451747 UXIKYFJQSJXRFK-GQCTYLIASA-N 359.451 2.483 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(C)=O)s2)cc1 4681424 CRTARXOUOFIRMK-UHFFFAOYSA-N 365.440 2.186 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9225905 AEHGTHWPTPMYOX-CABCVRRESA-N 368.499 2.319 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 6881742 ALUXESZGFRUMLL-UHFFFAOYSA-N 358.341 2.283 0 40 FEAB O=S(=O)(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1cccnc1 96002793 CQUYQWWTGPIWQH-LBPRGKRZSA-N 360.361 2.196 0 40 FEAB Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O 71821423 UCRZTLKVBXSQGI-INIZCTEOSA-N 371.437 2.460 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1 4968125 DCQVSFVEDBTLLK-UHFFFAOYSA-N 367.380 2.374 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1nnc(C(=O)OC)c1C(=O)OC 4969638 ZUTBSVGWNZXKME-ZDUSSCGKSA-N 374.397 2.058 0 40 FEAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C)c2)c2ccccc2O1 7306342 HTSVIUWVLLUPLT-KRWDZBQOSA-N 361.419 2.433 0 40 FEAB CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1 9426569 KUDYKTWMWWFJRY-MNOVXSKESA-N 354.476 2.048 0 40 FEAB CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252224 QCJSIZWGNJFXIB-LBPRGKRZSA-N 372.487 2.408 0 40 FEAB COc1ccc(-c2nc(CC(=O)N3CCC[C@H](C(N)=O)C3)cs2)cc1 8267844 CKRPUJPXZFYQAN-ZDUSSCGKSA-N 359.451 2.085 0 40 FEAB CCc1ccc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 8304115 DNTBPLPLWBMAEK-UHFFFAOYSA-N 360.479 2.188 0 40 FEAB CCOC(=O)c1c(NC(=S)Nn2cnnc2)sc2c1CCCC2 17072952 SPXIRQZCUPRPCG-UHFFFAOYSA-N 351.457 2.336 0 40 FEAB CC1CCN(CCCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 17813002 FJVUSXDUAGIEIZ-UHFFFAOYSA-N 356.470 2.094 0 40 FEAB C[C@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1 9853909 XTTBKQKCEKHUPG-HNNXBMFYSA-N 363.417 2.306 0 40 FEAB COc1ccc(C[C@@H](CO)CNC(=O)Nc2cccnc2Cl)cc1O 72304708 KFTNZRCDCSUBMS-GFCCVEGCSA-N 365.817 2.422 0 40 FEAB CCCCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)C(=O)O 95989695 VHEKBMBNFAQOBI-CQSZACIVSA-N 356.444 2.212 0 40 FEAB COc1ccc([C@@H](CNCc2c(N)ncnc2OC)N2CCCC2)cc1 75093146 MAMFNVCZNPTTNZ-QGZVFWFLSA-N 357.458 2.003 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CN2C(=O)[C@H]3CCC[C@H]32)CC1 75148702 GTIPSEZLQNBSLM-DLBZAZTESA-N 370.449 2.321 0 40 FEAB O=C(CCCNC(=O)c1ccccc1)Nc1ccnn1Cc1cccnc1 89823035 OLCYZHURMSQTAT-UHFFFAOYSA-N 363.421 2.475 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306131659 KLKVWIFLQOIZQW-GJZGRUSLSA-N 373.888 2.374 0 40 FEAB Cc1nnsc1C(=O)N[C@H]1CCCC[C@@]12CN(CC(C)C)CCO2 306138013 RMPBTZSXHQRNAO-WMLDXEAASA-N 352.504 2.246 0 40 FEAB CC(C)(O)CN1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 548868398 XIOFVVZSOFHCJD-UHFFFAOYSA-N 355.438 2.403 0 40 FEAB CCCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 2109440 MHYSYYXGTKZGOS-CIISACIHSA-N 354.428 2.006 0 40 FEAB biogenic CCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 39320681 REQNBXHEDHQWHP-UHFFFAOYSA-N 370.471 2.327 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 408549733 XWQIYWHOHVEROP-BJMVGYQFSA-N 359.165 2.068 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCC2)Oc2ccccc21 38832581 CMANIBZMRRDIII-MRXNPFEDSA-N 352.456 2.053 0 40 FEAB CCc1cc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)on1 72390317 BJDARHMTVNRAMB-UHFFFAOYSA-N 358.803 2.140 0 40 FEAB Cn1c(-c2cccs2)nn(CCNC(=O)/C=C/c2ccccc2)c1=O 36708579 XEMKHVCPOKFRND-MDZDMXLPSA-N 354.435 2.140 0 40 FEAB CN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](n4ccnn4)C3)ccc21 563030293 YUUPNNLLHRDQRX-HNNXBMFYSA-N 354.414 2.056 0 40 FEAB Cc1ccc(CCNC(=O)Cn2nc(C)n3c(cc4occc43)c2=O)cc1 72346391 YKVLTYLIPOURQI-UHFFFAOYSA-N 364.405 2.218 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(Cl)cc2)n1 75163653 HABNQPWOERCRGI-UHFFFAOYSA-N 357.757 2.339 0 40 FEAB Cc1ccc(CN(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 224939178 GYCIBMJBUNBTAK-UHFFFAOYSA-N 360.479 2.415 0 40 FEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 223656284 LQJHPIRSEDVIIT-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB COc1ccc(N(C)C(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 226040942 ILZNBNWUWYJANF-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1=CCCCC1 225099493 GSGPWJINNIZPLY-CQSZACIVSA-N 366.483 2.466 0 40 FEAB CC(C)CCN1C[C@H]2CCN(C(=O)NC3CCCC3)CC[C@H]2S1(=O)=O 96145555 CJHUZXVRBUMCHA-NVXWUHKLSA-N 371.547 2.411 0 40 FEAB COC(=O)c1nc(NC(=O)CCc2nc(-c3ccncc3)no2)sc1C 96118429 NHPIIJAFZNTUDT-UHFFFAOYSA-N 373.394 2.254 0 40 FEAB Cc1occc1C(=O)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96062439 IGKOUXRXRQUAAT-GOSISDBHSA-N 361.467 2.409 0 40 FEAB Cc1cc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c(C)o1 96240837 UEUHIUHHUVPWEM-QGZVFWFLSA-N 360.454 2.291 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2S(=O)(=O)Cc2ccccc2)Oc2ccccc21 96111732 XZLFHTIUSXOMBL-RDJZCZTQSA-N 372.446 2.015 0 40 FEAB biogenic,in-vitro Fc1cnc(N[C@@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048533 OBMSIIRJZUVDBG-WMZOPIPTSA-N 350.438 2.078 0 40 FEAB CC(C)Cc1n[nH]c(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)n1 95474126 ZGFOFYWCONSNII-UHFFFAOYSA-N 354.418 2.490 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCc2cnccn2)cc1 583623742 PGDQCILJGLSFAJ-ICSRJNTNSA-N 355.438 2.317 0 40 FEAB O=S1(=O)NCC2(CCN(Cc3ccncc3)CC2)COc2ccccc21 96145083 IYJRFJGICCTDKE-UHFFFAOYSA-N 373.478 2.035 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC2(CC[C@H](CN3CCCC3)CO2)C1 247832061 LEMACYOWMLAXTB-MRXNPFEDSA-N 372.465 2.175 0 40 FEAB CN(C(=O)COc1cccnc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257263515 LQGSCXULUDQWID-HBFSDRIKSA-N 356.422 2.280 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3ccno3)C2)cn1 257279596 OHIJCYIFIGDMNM-CYBMUJFWSA-N 353.382 2.441 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@H]2c2nc(C)ncc2CN(C)C)n1 257303642 SIATUPUYRFFXML-KRWDZBQOSA-N 356.474 2.105 0 40 FEAB CN(C)c1cncc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 257249017 JGIWDIPNOBJAQY-QGZVFWFLSA-N 353.474 2.270 0 40 FEAB O=C1COc2cccc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)c2N1 636370441 OMIBEXKWTKOFQV-GFCCVEGCSA-N 357.410 2.137 0 40 FEAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCN(C2CC2)C1=O 669085794 CSTFZMCQTQPWJF-KRWDZBQOSA-N 370.497 2.009 0 40 FEAB Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)c1 669253367 YCMCFDINACCYDV-UONOGXRCSA-N 352.442 2.334 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3[C@@H]4COC[C@@H]4[C@H]3C2)cc1OC(F)F 606445696 CITYWGHNLUQEFJ-XDQVBPFNSA-N 353.365 2.190 0 40 FEAB O=C(c1ccc(F)cc1C(F)(F)F)N1CCS(=O)(=O)C[C@@H]1C1CC1 1262089206 GZLFGWYGGXQKPM-CYBMUJFWSA-N 365.348 2.494 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575402990 HJMCRJGIJQAGBU-MRXNPFEDSA-N 352.500 2.116 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)(C)C(=O)O)ccc1C 578894781 HRSUZASGYVUEJJ-UHFFFAOYSA-N 356.444 2.075 0 40 FEAB CO[C@@H]1CN(C(=O)CCn2ccccc2=O)CC[C@@H]1Cc1ccccc1 585280578 KUJJUHOGRCAPIL-RTBURBONSA-N 354.450 2.345 0 40 FEAB Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C 685942870 XIVLPIQSYLQRII-ZYHUDNBSSA-N 351.838 2.044 0 40 FEAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(Cl)cc(Cl)c2)C1 685940462 BCXMQLPKIPNPFD-UFBFGSQYSA-N 359.209 2.045 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)NCc1noc(-c2ccccc2F)n1 952885666 SPSLLKWOKYEUAM-UHFFFAOYSA-N 370.388 2.486 0 40 FEAB COc1cc(N2CCN(C(=O)CCc3sccc3C)CC2=O)ccn1 1776009285 ZSGZRKHFLGUVHG-UHFFFAOYSA-N 359.451 2.268 0 40 FEAB CCc1nc(CNCCS(=O)(=O)N2CCc3ccccc32)cs1 58216555 ZEGGYYLROGZNNF-UHFFFAOYSA-N 351.497 2.188 0 40 FEAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 5005715 UXNZOPKNPGUNEJ-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(F)F)c(OC)c1 5787310 RJBOJIXUCMLYRU-LBPRGKRZSA-N 358.366 2.262 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCn3ccnc3C)cc2n1 12221283 MXISKFKEIWVCMK-INIZCTEOSA-N 368.441 2.256 0 40 FEAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccn(C)n2)c(C)n1 12365974 KTQZORAOYMMXQG-OAHLLOKOSA-N 351.476 2.251 0 40 FEAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCO2 12366111 LPROWAMXEARDRD-KRWDZBQOSA-N 368.433 2.309 0 40 FEAB COC(=O)[C@@H](C)OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16223642 WIMHQDLOBMMLLI-GFCCVEGCSA-N 367.357 2.201 0 40 FEAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc[nH]n1 19017719 KBPGXELFHUWOIX-KBAYOESNSA-N 356.401 2.168 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]12C 253389616 SZSNPNCTSHASFJ-ILDBYIROSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1C 7595492 DIHKURXXAZSDBC-AWEZNQCLSA-N 355.456 2.358 0 40 FEAB O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CCCCC1 8381985 RSPBALXCEINKCZ-CQSZACIVSA-N 356.451 2.193 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)N(C)C 11899023 NNCKPAYMNDOMEG-INIZCTEOSA-N 362.861 2.345 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255009 KJEXJFOOYKWPRO-BRSDGGEWSA-N 352.394 2.415 0 40 FEAB NC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2c2ccccc2)=NN1c1ccccc1 40062082 YLQDGFQJHJGWAE-RBUKOAKNSA-N 362.433 2.470 0 40 FEAB COc1ccc(S(=O)(=O)NCCN2CCc3ccccc3C2)cc1F 30334231 KVJQRBCRHIOSBT-UHFFFAOYSA-N 364.442 2.171 0 40 FEAB C[C@@H](NC(=O)c1ccccc1OCc1cn2ccccc2n1)C(=O)N(C)C 40121195 LCXZHOPZEQFXAM-CQSZACIVSA-N 366.421 2.120 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 30848717 SXPGXONTNSCWTO-LBPRGKRZSA-N 368.817 2.342 0 40 FEAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1cc(C)nc3ncnn13)C2 32074709 NRIDEBNCPPVYAZ-AWEZNQCLSA-N 356.407 2.350 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 32842302 HDPFMDCLQOLTOD-MLGOLLRUSA-N 370.384 2.176 0 40 FEAB C[C@H](Cc1ccccc1F)C(=O)N1CCN(C(=O)c2ccncc2)CC1 41267183 SHPZQJZMDIDQOB-OAHLLOKOSA-N 355.413 2.384 0 40 FEAB O=C(Cc1ccccc1)N1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 41376440 HPQIBNRBWCLKAK-UHFFFAOYSA-N 361.445 2.415 0 40 FEAB CCCCN(C(=O)NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 103242613 PJSNJNZAGNXJHS-XUXIUFHCSA-N 359.492 2.292 0 40 FEAB CN1CCN[C@H](CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 97166257 DFHHANKUUCAPNB-OAHLLOKOSA-N 363.383 2.404 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCOc2ccc(F)cc21 53366232 PSTWFXZNLYTPID-MRXNPFEDSA-N 368.364 2.452 0 40 FEAB COc1ccc(-c2nnc(COc3c(OC)cccc3C(N)=O)o2)cc1 22320177 CLYHPIOPISJHRV-UHFFFAOYSA-N 355.350 2.432 0 40 FEAB CCOC[C@@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 78259599 JUUVMDQMBYLTTB-OAHLLOKOSA-N 353.488 2.023 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@@H]2CCCO2)cc1 53436425 YPWNYQILRKLSNY-ZBFHGGJFSA-N 368.499 2.405 0 40 FEAB O=C1c2ccccc2C(=O)N1CCn1cnc2sc3c(c2c1=O)CCC3 6111195 WXCXCDLMRXYLFQ-UHFFFAOYSA-N 365.414 2.243 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(Cl)c1 6326609 YTXUIYLLEPAVER-UHFFFAOYSA-N 362.879 2.178 0 40 FEAB CC[C@H](C)[C@H](NC(=O)COC(=O)c1cccc(-n2cccc2)c1)C(=O)OC 7105802 BODOYARQHVEMRZ-KSSFIOAISA-N 372.421 2.338 0 40 FEAB O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1cnn2CCO 7418052 FMDVQIKIJHCNES-UHFFFAOYSA-N 370.356 2.423 0 40 FEAB COc1ccc(NC(=O)c2ccc(OS(=O)(=O)N(C)C)cc2)cc1 3052219 SGSWIOLJVYHUEP-UHFFFAOYSA-N 350.396 2.133 0 40 FEAB CCCn1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 23731350 MLQXKKSBSNNNEV-UHFFFAOYSA-N 369.425 2.249 0 40 FEAB CCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)c(C)c1 8326987 SEWLTKSVBHDOLE-UHFFFAOYSA-N 350.440 2.223 0 40 FEAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 8380772 PDFVDMYWWLHPLO-UHFFFAOYSA-N 350.484 2.411 0 40 FEAB COc1ccc([C@H](CNC(=O)Nc2cc(C)on2)N2CCOCC2)cc1 24535592 YODOPGPVAGXFNZ-INIZCTEOSA-N 360.414 2.187 0 40 FEAB C[C@@H]1CCc2sc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc2C1 24680141 SPDMKEZFUNPPAA-OCCSQVGLSA-N 370.540 2.417 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1 12543438 DEWMKTGVEWIOKT-KRWDZBQOSA-N 371.412 2.497 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C3=NC[C@H](C)S3)CC2)cc1 72312016 QZAJUCFHXWSPDQ-UONOGXRCSA-N 362.499 2.131 0 40 FEAB CC(C)Cn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 56279041 NWBDGMIPDBXTLB-UHFFFAOYSA-N 363.483 2.015 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2coc3ccccc23)CC1 113026229 VRSAFJFXHINFAA-UHFFFAOYSA-N 350.440 2.367 0 40 FEAB Cc1cc(OCC(=O)N2CCOCC2)c2c3c(c(=O)oc2c1)CCCC3 3220204 WXJVLHRDGUBRON-UHFFFAOYSA-N 357.406 2.218 0 40 FEAB C[C@@H](c1ccccc1)N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 108468379 FCTNPQJIUDFVBM-KXBFYZLASA-N 351.450 2.118 0 40 FEAB CCc1c(C(=O)OCc2cccc(OCC(N)=O)c2)[nH]c(C)c1C(C)=O 58182050 GASMZQCUABNBDA-UHFFFAOYSA-N 358.394 2.309 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCCOc1ccc(OC)cc1 58122274 HLPCAJJBUZIOOP-UHFFFAOYSA-N 363.435 2.298 0 40 FEAB C[C@@]1(c2ccccc2F)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 58209077 JYYOSJIJOQFEHM-KRWDZBQOSA-N 356.313 2.436 0 40 FEAB CCCCn1nc(C)c(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1Cl 58246665 STMSLHPQKNCRDD-KTRBRXNASA-N 373.906 2.304 0 40 FEAB Cn1c(SCCOc2ccccc2F)nnc1[C@@H]1CCS(=O)(=O)C1 58240825 OUFVJMANFXWRCG-LLVKDONJSA-N 371.459 2.027 0 40 FEAB COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 58330275 LHGQTYKBSMWNRV-BLLLJJGKSA-N 359.426 2.443 0 40 FEAB CN1C[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC1=O 58411215 GLBAUVUMGKKJPA-CQSZACIVSA-N 358.417 2.085 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCCCCC1 3329572 BLQJSSASRQEFPL-QGZVFWFLSA-N 368.437 2.033 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1 3321576 IGOOWMMPRFRAEY-GOSISDBHSA-N 365.433 2.164 0 40 FEAB CCn1c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 11615652 DSENNYYKGOIBIT-UHFFFAOYSA-N 373.434 2.306 0 40 FEAB COc1cccc2c(C)nc(NC3=NCN(Cc4ccco4)CN3)nc12 8997274 DYPAFAPVJPMUPL-UHFFFAOYSA-N 352.398 2.328 0 40 FEAB Cc1cc(NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n2ncnc2n1 8987534 IHFLUNFNORMPQI-UHFFFAOYSA-N 360.443 2.036 0 40 FEAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 9117197 SDCRWTWAUKWDBP-UHFFFAOYSA-N 356.407 2.329 0 40 FEAB C/C=C/c1cc(C(=O)NCC(=O)NCc2ccco2)cc(OC)c1OC 14185551 WZGUBRAPXATVAU-GQCTYLIASA-N 358.394 2.376 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N(Cc1ccc(F)cc1)C1CC1 14171317 LQCGXVLFDUYSES-UHFFFAOYSA-N 367.380 2.020 0 40 FEAB Cc1nnsc1CNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67894567 OVCFFPLZQOBQPK-GOSISDBHSA-N 366.531 2.260 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306135795 PBDYUCVZBLIZRD-OAHLLOKOSA-N 357.410 2.080 0 40 FEAB CCN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7675914 BPLHLJPKIJJNSB-UHFFFAOYSA-N 365.389 2.129 0 40 FEAB O=C(Cc1ccc(Br)cc1)OCn1nnc2ccccc2c1=O 7656214 LZMLXJVDQXUSIX-UHFFFAOYSA-N 374.194 2.297 0 40 FEAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(N2CCCC2=O)c1 7621495 FLXVHNHTDRVWQA-UHFFFAOYSA-N 369.402 2.240 0 40 FEAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1CCS(=O)(=O)C1 7960684 SJIMASHCCQDYJR-CQSZACIVSA-N 374.466 2.045 0 40 FEAB Cc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 7994965 DRYAJWAAAHMVCU-LLVKDONJSA-N 370.434 2.373 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(F)cc1 20030199 VPIQNCGSVCYBIX-UHFFFAOYSA-N 366.414 2.160 0 40 FEAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(C)n1N 409008413 YBXZZLLRXVDMDH-UHFFFAOYSA-N 370.276 2.410 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCC)c(C)c1 408625288 RTQKMSBRBBZUBI-AWEZNQCLSA-N 356.488 2.367 0 40 FEAB COc1cc(C(=O)N2CCN=Cc3cc(N)ccc32)cc(OC)c1OC 73642373 UEOJNNIRYGWVEU-UHFFFAOYSA-N 355.394 2.374 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc3ncccc3[nH]2)cc1OC 79491635 BOYJDWOTTSQIAB-UHFFFAOYSA-N 354.410 2.267 0 40 FEAB CCOc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 219667183 DESCJWGAVKMCKI-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB CCCc1nnc(SCC(=O)NCc2ccco2)n1C[C@@H]1CCCO1 35313117 KYAGVGPAUNOPEB-AWEZNQCLSA-N 364.471 2.411 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)CC1 226755094 YHPCVJABOQGXSG-CYBMUJFWSA-N 359.426 2.142 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1Cl 226058240 YRJTVPFBSJBYEQ-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB O=C(NCCn1ccc2cc(Cl)ccc21)N1CCC[C@@H](OCCO)C1 576135778 DHIUPQASBJXPCC-MRXNPFEDSA-N 365.861 2.478 0 40 FEAB CS(=O)(=O)C1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc23)CC1 332339199 RVRSOAKTGCFXTJ-UHFFFAOYSA-N 355.847 2.302 0 40 FEAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc3ccccc13)C2 96108410 LYYWVEMBPCCNGV-NQIIRXRSSA-N 354.450 2.051 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1F 96229760 JINTVKCDXXCNGQ-QGZVFWFLSA-N 354.447 2.300 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCc2ccncn2)cc1 583622014 WPNRKGDOPZLJBZ-ICSRJNTNSA-N 355.438 2.317 0 40 FEAB O=C(N[C@]1(C(F)(F)F)CCOC1)c1cccc(CN2CCCC2=O)c1 585084094 WMBPQZZYCSUFNH-MRXNPFEDSA-N 356.344 2.260 0 40 FEAB Cc1ccccc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 248158537 NBDDUBBBUXUJDF-INIZCTEOSA-N 363.479 2.051 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cn2)n1 257323082 WIROYFSDUQPWBA-MRXNPFEDSA-N 357.458 2.385 0 40 FEAB Cc1ccccc1N(CC(=O)Nc1nc2c(s1)CCC2)S(C)(=O)=O 25768224 XEMOOVSOWQWFCF-UHFFFAOYSA-N 365.480 2.345 0 40 FEAB Cn1cc(CN2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 257240297 HSXIKYKJVFWQGE-QGZVFWFLSA-N 363.425 2.195 0 40 FEAB C[C@H]1CCCN(CCCc2nnc(CCCN3CCC[C@@H](C)C3)n2N)C1 260572284 MRPCQHLHXYLXPU-HDICACEKSA-N 362.566 2.321 0 40 FEAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 274006545 ABZCQIPLWXGSQN-MRXNPFEDSA-N 373.478 2.399 0 40 FEAB COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 640865747 HCNOMTYEWFTTJQ-VQISRLSMSA-N 356.825 2.205 0 40 FEAB CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@H](C2CCCCC2)C1 664996244 PNAQOFLAPMGSCZ-CVEARBPZSA-N 359.536 2.316 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)c1F 390828030 NSUXBZMPTQAJKU-JTQLQIEISA-N 366.780 2.226 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403608 JCTFVECVDFBRQO-SFHVURJKSA-N 354.406 2.378 0 40 FEAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)N1CCC(F)(F)CC1 585095862 QZSJIOKBCOWOHZ-HNNXBMFYSA-N 366.412 2.214 0 40 FEAB c1cnc(Nc2nccnc2[C@H]2CCCN(CC3CCOCC3)C2)cn1 585177442 NRFDYHNICKFINX-INIZCTEOSA-N 354.458 2.616 0 40 FEAB CO[C@@]1(COc2cccc(F)c2)CCCN(CC2(O)CCOCC2)C1 585277247 NQVFFNHVJQMRMS-IBGZPJMESA-N 353.434 2.227 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 585102091 QXYIJUDCGMZJBW-AZUAARDMSA-N 352.438 2.380 0 40 FEAB CCOc1ccc(F)c(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)c1F 685938874 HKFBEKUCEKPVOV-SECBINFHSA-N 351.357 2.171 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nccc(C(F)(F)F)n1 45026465 VKLLUZYLEXPRMB-SECBINFHSA-N 360.361 2.340 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)Nc1cccc(N2CCNC2=O)c1 47893707 JAYWAOFKNABJAV-UHFFFAOYSA-N 368.393 2.309 0 40 FEAB O=C(c1ccncc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985923 IYOLQNHQUQATQB-UHFFFAOYSA-N 352.438 2.070 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 56398891 VNCJFEDJOGNQIL-QGZVFWFLSA-N 362.518 2.391 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)no1 1615153114 ALTOKAYEDSBPGA-IBGZPJMESA-N 355.394 2.021 0 40 FEAB Cc1ccccc1CN(C)C(=O)CSc1nnc(C(F)(F)F)n1N 5993599 LPWGHOUANVTUCF-UHFFFAOYSA-N 359.377 2.070 0 40 FEAB COc1cc(OC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 16527425 LFYUHFAKNDSODW-DJBIQUGXSA-N 355.774 2.174 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1Cl 16692485 XIOHSVSHPIOZKL-UHFFFAOYSA-N 374.890 2.418 0 40 FEAB Cn1c(Cl)cnc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 18958762 NHGRKJCKJIWJPV-HNNXBMFYSA-N 354.744 2.319 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCC[C@@H](CO)C2)C1 19016968 YMXXAECNNWJCNA-IAGOWNOFSA-N 370.497 2.493 0 40 FEAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@H]2CCCO2)on1 19123405 GPKCUCTXPXRALA-OAHLLOKOSA-N 357.414 2.152 0 40 FEAB Cc1nccc(-c2cccc(-c3noc(CN4CCC[C@H](O)C4)n3)c2)n1 19287597 PYUYAMMYZOAVMM-INIZCTEOSA-N 351.410 2.459 0 40 FEAB CNc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CN(C(C)=O)CC2 19711607 ZGARMNWVYFFWPF-QGZVFWFLSA-N 371.485 2.277 0 40 FEAB COc1cccc(NC(=O)C2CN(C(=O)c3cn4cccc(C)c4n3)C2)c1 19747668 AWGIZLDZUFINEH-UHFFFAOYSA-N 364.405 2.362 0 40 FEAB CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 657917911 MFXBWVQUCFFQQQ-SOLBZPMBSA-N 366.527 2.214 0 40 FEAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccc2nsnc2c1 1888982186 SSLVEAYLDDIKIC-KRWDZBQOSA-N 365.418 2.340 0 40 FEAB O=C(N1CCOCC1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889138897 FRWZBVDLNYLQLA-GXTWGEPZSA-N 370.375 2.063 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 13697016 UZAVIKBHNYSVRP-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)[C@@H](C)Oc4ccccc4F)C[C@H]3C2)ncn1 1889362914 KYOUNFSCYXHKCQ-OAGGEKHMSA-N 370.428 2.286 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CCCC3)C2)n(-c2cccnc2)n1 2332241544 FXYINADMOUXXME-CGTJXYLNSA-N 369.469 2.274 0 40 FEAB O=C(NC(C1CC1)C1CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 40039663 VZXQALAEINXESI-AWEZNQCLSA-N 356.422 2.116 0 40 FEAB NC[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 50246614 CTHZTIDLQILWSX-MRVPVSSYSA-N 353.669 2.072 0 40 FEAB CC(C)(C)NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 20467954 QUBNQLDORWOPMV-UHFFFAOYSA-N 357.439 2.116 0 40 FEAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCO)c(=N)c32)cc1 101163041 YJZFILSQFNLXDO-QGZVFWFLSA-N 365.389 2.355 0 40 FEAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1 21450385 MVDBWXPKNNALIU-ZYHUDNBSSA-N 358.485 2.025 0 40 FEAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N1CCOCC1 32910708 FNABRAGHENSHDH-CQSZACIVSA-N 355.390 2.463 0 40 FEAB CCN(CC)C(=O)N1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 32923253 RGIDJOGLZQFWJF-UHFFFAOYSA-N 366.849 2.285 0 40 FEAB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C 12196187 ZIUSFSIMXUGVDG-CQSZACIVSA-N 372.421 2.465 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCC[C@H]3O)cc2)CC1 77152553 HOENHQLJHFJTEU-UYAOXDASSA-N 359.514 2.498 0 40 FEAB O=C(NCc1nnc2ccccn12)Nc1ccc(N2CCCCC2)nc1 61397971 BYLPDSXBRONHOD-UHFFFAOYSA-N 351.414 2.436 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3015968 JMSFCDQSQQKZRR-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 37496526 VATFIQROQRNJJD-UHFFFAOYSA-N 350.216 2.295 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCCC)cc2)n1 6138567 WEYMTJREBQUQGY-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)c(Cl)c1 6204519 WHAZOZIEVKIKNR-UHFFFAOYSA-N 362.879 2.322 0 40 FEAB CCCCOc1cccc(C(=O)NC(=S)Nc2nnnn2CCC)c1 6264465 HPDQRHGJEVZCMV-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 920411 DZOYBYCGDPFQAG-UHFFFAOYSA-N 365.389 2.369 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2c(C)noc2C)c1C 8010642 VLPLWKWJCYHSEH-UHFFFAOYSA-N 351.428 2.127 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 108904944 LUMKJOWRBZJZOT-RBSFLKMASA-N 368.499 2.259 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 25044372 NQIDGPJTUVNLKI-UHFFFAOYSA-N 351.332 2.447 0 40 FEAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1Br 9356077 SUKSXQJMWXHRIO-UHFFFAOYSA-N 374.260 2.023 0 40 FEAB O=C(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)NCc1ccccc1 57212095 MIQUXYRLQZUUGN-UHFFFAOYSA-N 370.424 2.307 0 40 FEAB CCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10078760 LKVJMLYRCYWXPK-CYBMUJFWSA-N 357.451 2.030 0 40 FEAB c1cnc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)nc1 23700898 ZNYBZURADKLOKP-UHFFFAOYSA-N 356.455 2.343 0 40 FEAB O=C1CCc2cc(OC[C@H](O)CNc3cnc4ccccc4n3)ccc2N1 58190909 CJXVGQRLAHDTOR-CQSZACIVSA-N 364.405 2.366 0 40 FEAB CC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 10224753 ADNUKYIJRIXUNM-UHFFFAOYSA-N 356.407 2.215 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC2CCCCC2)C1=O 44942803 CFKDOOOTTRFIST-IBGZPJMESA-N 359.426 2.224 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102084328 AJQFNZOUZGKTMC-UEFGCPDKSA-N 350.418 2.377 0 40 FEAB Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)C2)no1 58328822 JEAJBGQAQNXZRU-ZIAGYGMSSA-N 360.414 2.018 0 40 FEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](C(F)(F)F)C1 12785488 ONOJLFUMCJCEDO-NXEZZACHSA-N 356.348 2.458 0 40 FEAB CC(C)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 36595017 QQBOAMKIDFCEIS-MRXNPFEDSA-N 374.416 2.279 0 40 FEAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2)NCc1ccc(F)cc1 100162152 FQFOFKBTBGBTIZ-ROUUACIJSA-N 369.440 2.352 0 40 FEAB O=C(Nc1cccc(COCc2ccco2)c1)N[C@@H]1CCS(=O)(=O)C1 59349969 COQIGNOBCCPBER-OAHLLOKOSA-N 364.423 2.305 0 40 FEAB CN(Cc1ccco1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 36734724 UVKCCMNYXXPZPS-UHFFFAOYSA-N 356.831 2.456 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 29738460 QESGRESVCBLZRD-KBPBESRZSA-N 350.484 2.493 0 40 FEAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC(=O)Nc1cccc(Cl)c1 29862769 VLGURNCGXJWCSS-NSHDSACASA-N 368.865 2.223 0 40 FEAB COc1cccc(SCC(=O)NC2CCN(c3ncccn3)CC2)c1 48369025 BMAICKIPGBPSSD-UHFFFAOYSA-N 358.467 2.363 0 40 FEAB CC(C)c1ccc([C@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12868413 HKOCFCSIEMQCEL-HNNXBMFYSA-N 365.437 2.430 0 40 FEAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccccc1C(=O)NC1CC1 13009415 TURQZNYJUROVFX-UHFFFAOYSA-N 365.433 2.266 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326738 QGBCMPWXEDARBG-CYBMUJFWSA-N 368.393 2.465 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 71328948 JURMDRYNTXJTMW-MRXNPFEDSA-N 358.486 2.356 0 40 FEAB CCOC(=O)C1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1 14086588 DQZONIBFSPXSOT-UHFFFAOYSA-N 365.474 2.254 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 9384623 RCVACBDKRAISGW-UHFFFAOYSA-N 353.378 2.389 0 40 FEAB COC(=O)c1c(COC(=O)c2ccccc2F)nc2ccccc2[n+]1[O-] 5478486 VIGHUUUXMDPVLK-UHFFFAOYSA-N 356.309 2.151 0 40 FEAB CCOc1cc(CNC[C@H](C)O)ccc1Oc1nnnn1-c1ccccc1 9356192 WHHLEAHHPFCONZ-AWEZNQCLSA-N 369.425 2.324 0 40 FEAB Cn1c(I)nc(I)c1Cl 5748856 BRIWRKRYIDYPEM-UHFFFAOYSA-N 368.343 2.283 0 40 FEAB COc1cccc(Cl)c1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 93843250 NQAGBLPJPXXKSY-OAHLLOKOSA-N 365.905 2.477 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N(C)c1ccccc1 7280717 MPKGRZKEIHUNGJ-CQSZACIVSA-N 350.378 2.476 0 40 FEAB O=C(O[C@H]1CCOC1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537634 MZQPJUCTNIELDA-AWEZNQCLSA-N 351.786 2.051 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1 7507874 IQYPTWKZFKVVSO-UHFFFAOYSA-N 358.394 2.126 0 40 FEAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2)c1 8201498 NSKFTSLSCLVCIH-UHFFFAOYSA-N 369.240 2.027 0 40 FEAB CC[C@@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 8403161 PXEUWBVJEQCHHS-AWEZNQCLSA-N 371.462 2.035 0 40 FEAB CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CCS(=O)CC1 72297887 GHJDLRIIBSZPSK-JQOCKAFUSA-N 351.468 2.228 0 40 FEAB CCCc1cc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)n[nH]1 95957419 LZDLKWRWXJKFEL-UHFFFAOYSA-N 368.397 2.275 0 40 FEAB O=C(NC1CCCCC1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975796 NSIVYUPOZIQTHU-UHFFFAOYSA-N 350.378 2.340 0 40 FEAB CC(C)n1cc(C[C@H]2NC(=O)N(CCc3ccccc3Cl)C2=O)nn1 548334834 DCZHIUTZEPMTJU-OAHLLOKOSA-N 361.833 2.218 0 40 FEAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2ccnc2)nn1 72341635 ZAJCHZFDVVXDFK-KRWDZBQOSA-N 356.405 2.433 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 72377772 VADOXSGIRQOIFN-HNNXBMFYSA-N 361.409 2.425 0 40 FEAB CCn1cc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cn1 36621319 NYAXZXBKSONYJO-VBNZEHGJSA-N 351.414 2.153 0 40 FEAB C[C@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373088 GBBQIRFNKIROLS-IRXDYDNUSA-N 372.513 2.018 0 40 FEAB N[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218641588 VMUCPUKAESXWIB-OWCLPIDISA-N 355.818 2.109 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCC(C)(C)C 226053459 MIGDKACKVYBQPW-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCSCC3)c2)nc1 49407510 KPMXVGWHSRUUEI-UHFFFAOYSA-N 373.482 2.441 0 40 FEAB COC[C@@H]1C[C@H](OC)CN1Cc1ccc(C(=O)O)cc1Br 571767927 GFTPLBIJOUREAT-STQMWFEESA-N 358.232 2.383 0 40 FEAB COc1ccc([C@H](C)N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46087965 SDSAHGVQXKODDG-ZDUSSCGKSA-N 354.410 2.039 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc(C)c1F 583619488 PRBTUQQBJSHYEL-WMLDXEAASA-N 358.417 2.125 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 96046550 RCWQQSKWZDEOKY-UHFFFAOYSA-N 358.467 2.250 0 40 FEAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220673 SJMJYSCCAXJYQK-HNNXBMFYSA-N 350.484 2.213 0 40 FEAB COc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1 96058295 CNKCXXUOJHTIIA-HSALFYBXSA-N 374.481 2.476 0 40 FEAB Cc1cn(C)c([C@H]2CN(C(=O)CCn3ncc4ccccc43)CCO2)n1 257254594 KDULDTYUXVLONF-QGZVFWFLSA-N 353.426 2.068 0 40 FEAB O=C(c1c[nH]cn1)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 257331803 XUHPIBCASRYSFB-CQSZACIVSA-N 363.425 2.433 0 40 FEAB CCNC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)CC)C3)nn2c1C 257268007 MJWGMHWPTKWLNH-HNNXBMFYSA-N 371.485 2.141 0 40 FEAB O=C(CCn1cnc2ccccc21)N1CCC[C@H](c2ccnc(O)n2)C1 257241621 HYUJSPXCGVUEPD-AWEZNQCLSA-N 351.410 2.328 0 40 FEAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)OC(C)(C)C)C2 257303065 SFQNWZQQVXIBTP-HLIPFELVSA-N 359.470 2.463 0 40 FEAB C[C@H]1CC2(CCNCC2)CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 623072617 JDCDMQHJSBYJNZ-ZDUSSCGKSA-N 351.472 2.086 0 40 FEAB C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2cc(O)nc(O)n2)C1 639730429 LNFGZXNZGVEXKJ-MNOVXSKESA-N 362.817 2.358 0 40 FEAB C[C@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653539256 XXEPNBUTWJBGQF-WCFLWFBJSA-N 362.430 2.040 0 40 FEAB O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)C1 296986344 PSCYZEIRFIXCFT-LBPRGKRZSA-N 351.424 2.081 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585273373 SZZMMVTXRLFRPJ-OAQYLSRUSA-N 355.434 2.070 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C1CCOCC1 585111327 OONWXCYNFCWBKY-SFHVURJKSA-N 355.438 2.088 0 40 FEAB CC(C)c1nnc(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)o1 44098487 JRSBPKNAIVFFAT-UHFFFAOYSA-N 356.426 2.329 0 40 FEAB Cn1cc([C@@H](O)CNC(=O)c2cc(Br)ccc2Cl)cn1 76088069 CASJDSHFSHBTAD-LBPRGKRZSA-N 358.623 2.299 0 40 FEAB Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000185 CAHRTQIKFHUOCT-QZTJIDSGSA-N 353.422 2.279 0 40 FEAB CCc1nn(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3occc3n12 5149337 WTGFHZJBXDAVLK-CHWSQXEVSA-N 356.426 2.309 0 40 FEAB CC(C)N1CCC[C@H](CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12199574 SUQBEFCQHMCGDR-CYBMUJFWSA-N 365.861 2.485 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006743 GCCITGZWRHEQGR-UHFFFAOYSA-N 367.449 2.375 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13075586 JKDBYNKHZABNDI-UHFFFAOYSA-N 353.371 2.054 0 40 FEAB CC(C)NC(=O)CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 13654804 QQBOAMKIDFCEIS-INIZCTEOSA-N 374.416 2.279 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC1CCCC1 16187717 VUYKLTSZTBNFJT-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 19373631 HJTIQCDFSZCKNM-CYBMUJFWSA-N 371.422 2.095 0 40 FEAB OCC[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 19403956 PJFXLIOZGZBDSV-CABCVRRESA-N 360.483 2.252 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3615009 DINTXJGCMSVGEQ-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2ccc3ncccc3c2)n1 1848353925 GWAOESVVYHAFSI-KRWDZBQOSA-N 350.378 2.253 0 40 FEAB CC(C)OCCOCc1ccc(OC[C@H](O)CN(C=O)C(C)C)cc1 1690140299 XLTMWMPSNKDLCD-GOSISDBHSA-N 353.459 2.235 0 40 FEAB in-vitro Cc1nc(C(=O)N2C[C@@H](C)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cs1 1614937866 UNGZKTHLGAQIOH-BFUOFWGJSA-N 370.478 2.357 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1c(F)cccc1Cl 5498535 WYMSUJDYSOCXSE-UHFFFAOYSA-N 370.833 2.474 0 40 FEAB COCCN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 22999853 IMRXKSICRXAETJ-UHFFFAOYSA-N 366.527 2.202 0 40 FEAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225808839 HQFNHBANWJDYHZ-NSHDSACASA-N 368.315 2.193 0 40 FEAB CN1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)[C@@H](c2ccccc2)C1 30029335 BRVAKZHMEKQDOF-GOSISDBHSA-N 373.478 2.187 0 40 FEAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(Cl)c3c(c1)OCCO3)C2 30388226 IKQFGMHRGIQNBI-CYBMUJFWSA-N 359.813 2.497 0 40 FEAB CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)NC(=O)NC1=O 101085547 YGOZYFZBHRZNAI-UHFFFAOYSA-N 363.417 2.438 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(O)cc3)CC2=O)c(OC)c1 20739299 MVRHAXXHHJIHIG-GFCCVEGCSA-N 356.378 2.401 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 32883806 COWWTYDGVROECB-AWEZNQCLSA-N 362.451 2.021 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12 694677 IOVGLDIRFHJORF-COPLHBTASA-N 371.256 2.256 0 40 FEAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NOCc1ccccc1 77688017 ZYAQHBUCFAWRDL-KRWDZBQOSA-N 355.373 2.152 0 40 FEAB CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(N)cc2)n(C)c1C 1567814 VAQKYXJKRPRYBW-UHFFFAOYSA-N 360.414 2.295 0 40 FEAB O=C(CCc1ccccc1F)NS(=O)(=O)c1ccc2c(c1)OCCO2 42267268 JHSPFGJYOSAODF-UHFFFAOYSA-N 365.382 2.035 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@@H](C)C1 22990685 RCXCLLFEQPTQEZ-PBHICJAKSA-N 350.484 2.022 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)c1 23235438 TTWCFCUYKSITGW-UHFFFAOYSA-N 352.456 2.007 0 40 FEAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCc1ccco1 6876286 ICJDUDKVHBQDOD-UHFFFAOYSA-N 356.334 2.496 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC 7046713 NIFPJDKQPNDPBD-UHFFFAOYSA-N 360.410 2.352 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 100466783 ZJEUUDOBFLQKBE-XNCJAFBWSA-N 373.412 2.226 0 40 FEAB O=C(Nc1ccccc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24013889 GVDPCLQYFDWPDI-UHFFFAOYSA-N 363.421 2.273 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8502147 WJJNQEMUJBBNIS-HXUWFJFHSA-N 357.454 2.465 0 40 FEAB CC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 24710585 RSMHOQPGFKDADL-UHFFFAOYSA-N 351.255 2.236 0 40 FEAB O=C(CSc1nnc(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1 9341339 QUNPIWUWTCXBCU-UHFFFAOYSA-N 352.419 2.487 0 40 FEAB COc1ccc([C@H](NC(=O)CNc2ccccc2C(N)=O)C2CC2)cc1 25614469 PIGWJVTWNRDTRA-LJQANCHMSA-N 353.422 2.474 0 40 FEAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 21871930 LUMKJOWRBZJZOT-ZNMIVQPWSA-N 368.499 2.259 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)N(C)CC(=O)NC(C)(C)C)CCC2=O)c1 57820487 OVILDPQWJAIGSB-UHFFFAOYSA-N 372.469 2.159 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(OC)cc1 57897138 FPQMJCACGGFOSC-UHFFFAOYSA-N 370.405 2.202 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 12631666 FBDIQZPASWZVEA-BRWVUGGUSA-N 361.486 2.198 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)OCC(=O)N2 27410598 WUFDRDBMGIVFFS-UHFFFAOYSA-N 354.362 2.061 0 40 FEAB CCCCNC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10434117 DVIVUMLEDQOHSA-NSHDSACASA-N 362.879 2.419 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCN(c2cnccn2)C1 29850013 YUFVESMGZUDIKT-AWEZNQCLSA-N 354.410 2.493 0 40 FEAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1C 2639381 PMBMRIFATUJXBB-HXUWFJFHSA-N 351.406 2.218 0 40 FEAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1 3359617 CKICKGJQKLEXKE-UHFFFAOYSA-N 366.414 2.182 0 40 FEAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 12868755 KUKZMDZLMFMQIA-UHFFFAOYSA-N 362.426 2.239 0 40 FEAB COc1ccc(C)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497712 NJJVHSVATLPNGQ-QGZVFWFLSA-N 357.362 2.325 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)cnc3ccccc32)c1C 8921229 HZFLLVYLEQBYHA-UHFFFAOYSA-N 353.378 2.401 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCCCC2)c1C 3587539 ZDDSOYUJZDHZLI-UHFFFAOYSA-N 350.415 2.368 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(C(C)(C)C)nn1C 12981146 FKHFWIAKKNSGSZ-UHFFFAOYSA-N 353.426 2.375 0 40 FEAB CCCC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(C(C)=O)cc2)C1=O 12985001 HKKGXTJEBVIBOF-KXBFYZLASA-N 362.426 2.130 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)nc2n1 13016636 SRVHPXDOKWANSM-UHFFFAOYSA-N 364.409 2.229 0 40 FEAB COc1ccc(-c2nc(CC(=O)N3CCC(O)CC3)cs2)cc1OC 13731953 UOWFBOCJRINTTI-UHFFFAOYSA-N 362.451 2.353 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 14181668 CSPYTFNKFWHRCQ-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB COC(=O)c1c(COC(=O)c2ccc(F)cc2)nc2ccccc2[n+]1[O-] 5500673 XYMFURVSISANSR-UHFFFAOYSA-N 356.309 2.151 0 40 FEAB CCCNS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1 4727444 DVIWWUCCAHOBHC-UHFFFAOYSA-N 351.472 2.296 0 40 FEAB CCS(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 9340787 ORXHKQRTBABBGB-LLVKDONJSA-N 369.468 2.355 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)ccc1Cl 7161367 KSCVXORMJMJIGR-UHFFFAOYSA-N 373.789 2.362 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)NCc3ccc(F)cc3)c(=O)c2cc1OC 15952710 IDDKHNOWTQNTKC-UHFFFAOYSA-N 372.352 2.320 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F 7632657 WMJSLGDYOJUFMC-UWVGGRQHSA-N 366.320 2.247 0 40 FEAB COc1ccc(NC(=O)Cc2ccccc2C)cc1S(=O)(=O)N(C)C 7978708 YVJYBPGJXYPEFA-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB Cc1ccc(F)c(-n2nnnc2Cn2nnc(Cc3ccccc3C)n2)c1 89626458 VHKRDFFRPIDOEM-UHFFFAOYSA-N 364.388 2.044 0 40 FEAB CC(C)C(=O)N1CCC(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 89775636 VPNUTAMPTFSJIH-GFCCVEGCSA-N 352.866 2.299 0 40 FEAB CCOCCCC(=O)N1CCC[C@@H](N(C)C(=O)CCCOCC)CC1 89986889 DSKOVBNKRKBLPA-QGZVFWFLSA-N 356.507 2.459 0 40 FEAB CC[C@@H](O)CN1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn23)CC1 89943328 JMCOIAYBYXWEIP-GFCCVEGCSA-N 372.395 2.099 0 40 FEAB Cc1ccn2ncc(C(=O)N3CCC(Oc4ncccc4C)CC3)c2n1 548061792 XSZOZJVUIUJFRH-UHFFFAOYSA-N 351.410 2.425 0 40 FEAB O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC=CCC1)CC2)c1cnccn1 77196279 KAJZMEQFIKFEBN-GFCCVEGCSA-N 369.450 2.426 0 40 FEAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218620455 BJVJTQCRRMOEPG-GVDBMIGSSA-N 350.871 2.244 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(OC)c2)c1 47329459 WYJDINVMWVHDRB-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)N1 40033843 DXYMBKPZPYBSMW-UHFFFAOYSA-N 361.467 2.221 0 40 FEAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C(N)=O)c1 226853127 OHPFFLFHODVOFS-ZDUSSCGKSA-N 350.378 2.377 0 40 FEAB CC(=O)c1cccc(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c1 225882235 YMHDLTVPPSCILI-UHFFFAOYSA-N 367.452 2.302 0 40 FEAB CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C1 223202013 NGCORUDRTSVNNX-JXFKEZNVSA-N 357.454 2.333 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCN(C)c2ccccc2)ccc1C 225642998 IYPUZKCPAPKCBJ-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)N4CCCC4)C3)C2=O)c1 96159839 MBIXDHGVWPCLBG-FQEVSTJZSA-N 357.454 2.335 0 40 FEAB O=S1(=O)N[C@H]2CCN(Cc3ccccc3)CC[C@@H]2Oc2ccccc21 96091336 YRLOYMWJJQNAAZ-IRXDYDNUSA-N 358.463 2.391 0 40 FEAB O=C(Cc1ccsc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240913 WTFVBIGKVCVSFP-MRXNPFEDSA-N 362.495 2.168 0 40 FEAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108965 BQWAVFBXAUJBLB-VQIMIIECSA-N 358.463 2.377 0 40 FEAB O=C(Nc1nc2n(n1)CCCC2)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 333746924 YXMCHMGLAMFKCT-IXDOHACOSA-N 367.453 2.651 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3cccnc3)C[C@@H]2C(=O)O)o1 96198762 MHLKDYCYXXXFBB-HZPDHXFCSA-N 357.410 2.173 0 40 FEAB COCCn1cnc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2c1=O 95475168 WASDQFSMVAKRBF-UHFFFAOYSA-N 367.405 2.233 0 40 FEAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2[C@H]4CCCC[C@H]42)C3)C1 247958463 UHWAWMYPEOLDOI-ITQYTPKQSA-N 368.481 2.133 0 40 FEAB Cc1ncsc1CN1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 248056189 ULVJNIFJBOZGFZ-AWEZNQCLSA-N 367.540 2.150 0 40 FEAB CN(C)c1cc(N2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)ncn1 248132694 QTVIZQOHKWTSIM-GFCCVEGCSA-N 361.446 2.220 0 40 FEAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)Cn2ccnc2)n1 257266220 MCANSXDPNMTSSM-INIZCTEOSA-N 352.398 2.309 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1 257330710 XPPFBHGWQXGTKO-INIZCTEOSA-N 352.442 2.491 0 40 FEAB COc1cc(CC(=O)N(CC(=O)O)Cc2ccc(F)c(F)c2)ccc1O 1599396601 MPKZDGMXNJFGOT-UHFFFAOYSA-N 365.332 2.335 0 40 FEAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)CCCn2cccn2)C1 257317729 VKXBYJKWKIVPHP-MRXNPFEDSA-N 356.474 2.001 0 40 FEAB Cn1cnn(CCC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1=O 559880615 DPQQEGCLQTWFJZ-OAHLLOKOSA-N 356.451 2.134 0 40 FEAB O=S(=O)(CCC1CCOCC1)NCC1CCN(c2ccncc2)CC1 292516621 UOZOVTSSZPUYHP-UHFFFAOYSA-N 367.515 2.034 0 40 FEAB CCn1cc(C(=O)Nc2cccc(-n3cc(C(=O)O)nn3)c2)c(C2CC2)n1 630175612 JDIHCJYKQLGGAX-UHFFFAOYSA-N 366.381 2.312 0 40 FEAB O=S(=O)(CCC1Cc2ccccc2C1)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 631956844 KEILLMTVXNFJFP-ZGXWSNOMSA-N 360.523 2.051 0 40 FEAB CC(C)(NC(N)=O)c1cn(CCc2cccc(OC(F)(F)F)c2)nn1 641137822 ABUIXYAPONCSKF-UHFFFAOYSA-N 357.336 2.323 0 40 FEAB CCN1CCO[C@@H](CNCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 657621645 XJINKIXBBVUSGN-ROUUACIJSA-N 350.413 2.250 0 40 FEAB CCC(=O)N1CC[C@@H](NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1 660909586 WUCUTOWNDIFWDW-ZWNOBZJWSA-N 374.268 2.337 0 40 FEAB O=C(NCCc1ccnc2ccccc12)N[C@@H]1C[C@H]2CCCCN2C1=O 661299917 GFBPTBIBTAUBIY-CRAIPNDOSA-N 352.438 2.230 0 40 FEAB Cc1cccc(COCC[C@H]2CCOC23CN(C(=O)c2cnccn2)C3)n1 575403757 NUDKHVXKGKQZQP-INIZCTEOSA-N 368.437 2.018 0 40 FEAB Cc1occc1C(=O)N1CCn2c(COc3ccccn3)nnc2[C@H]1C 585097689 PNPGQXQAGVELLH-GFCCVEGCSA-N 353.382 2.371 0 40 FEAB C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 65793744 UMTXEEXHUPLBBN-VIFPVBQESA-N 365.329 2.039 0 40 FEAB O=C(NCC1(N2CCOCC2)CCC1)c1ccccc1Br 1776008861 PVQZCBSDQMWETD-UHFFFAOYSA-N 353.260 2.434 0 40 FEAB CCc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cnn1-c1ccccn1 56954678 DSFWBFDGJKKKBE-OAHLLOKOSA-N 366.425 2.458 0 40 FEAB CN(C)CCN(Cc1cccs1)C(=O)Cn1ncc(=O)c2ccccc21 75108239 YWYPGVPJJRQNDX-UHFFFAOYSA-N 370.478 2.048 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 11988668 SPOIYHDPSDSDIN-UHFFFAOYSA-N 356.397 2.299 0 40 FEAB C[C@H](O)CNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156911 OAUCJDDAEYYUMY-BBRMVZONSA-N 364.417 2.003 0 40 FEAB CC(C)N1C[C@H](C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12220195 SYEQQJMVKJKVFA-WBVHZDCISA-N 372.465 2.433 0 40 FEAB C[C@@H]1CC(=O)c2c(OC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc(F)c21 15635168 JLCIYMVLRDVXBE-UTUOFQBUSA-N 371.364 2.372 0 40 FEAB CCCc1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)no1 19525283 DXLWMDPZTMSGSH-UHFFFAOYSA-N 359.430 2.072 0 40 FEAB COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3ccn(C)n3)C2)c1 19658892 HOSGIAHWDWMWRC-OAHLLOKOSA-N 358.442 2.158 0 40 FEAB CNC(=O)c1ccc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1 19705963 WAUDOTQDHLXSED-MRXNPFEDSA-N 359.470 2.233 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 169678505 JDDJRVAFESPPHC-QONVVCGCSA-N 364.445 2.076 0 40 FEAB Cc1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888881876 AHWQQMSZDWNFGJ-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB Cc1ncnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1C 1888883442 VTSQDDPJLXERMB-CQSZACIVSA-N 365.441 2.314 0 40 FEAB c1cncc(-c2ccnc(N3CCN(Cc4n[nH]c5c4CCC5)CC3)n2)c1 2087044535 UWNJPNVRMXRJFE-UHFFFAOYSA-N 361.453 2.073 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)CSCc2ccccc21 2087141200 RSFZMFSGJHLDQA-FQEVSTJZSA-N 374.506 2.244 0 40 FEAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cc5ccccc5o4)C3)nn12 1565519166 GBROCTYBZUVIHU-UHFFFAOYSA-N 362.393 2.140 0 40 FEAB CCn1cc(CN2CCc3c(c(COc4cccnc4)nn3C)C2)cn1 2055713688 YXPRXKSRLMFSDQ-UHFFFAOYSA-N 352.442 2.169 0 40 FEAB O=S1(=O)CCC(CN2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 2298028494 WWVFPJKNSYUMTB-UHFFFAOYSA-N 357.903 2.448 0 40 FEAB COc1ccc(C[C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 12401817 WOPXRBLCRKTINA-LBPRGKRZSA-N 367.405 2.301 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O 23220648 NUYWYRQWTLMGKK-YMTOWFKASA-N 357.193 2.376 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 31262670 FGJOFDAZFLQZAG-UHFFFAOYSA-N 357.385 2.345 0 40 FEAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 32333258 WPGOLGQIZATLFT-UHFFFAOYSA-N 365.437 2.165 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102294093 NTXLMYSUNWMINW-VKFLQFAXSA-N 373.449 2.186 0 40 FEAB Cc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)nc2O)cc1 32778612 MGMHLBNTHVHYDL-UHFFFAOYSA-N 358.345 2.323 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cccnc2-n2cccn2)c1 32817035 NLOIUFRZFANLQW-UHFFFAOYSA-N 356.407 2.064 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1OC 22279183 RLVJNGLRQGVRRI-UHFFFAOYSA-N 365.407 2.253 0 40 FEAB CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H]3CO)cs2)cc1 77376236 BWWMVDUVMIABNS-CQSZACIVSA-N 352.481 2.170 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C[C@@H](O)[C@H]3CCCO3)CC2)cc1Cl 79076157 WACBPIPXXLAMSM-IAGOWNOFSA-N 367.877 2.338 0 40 FEAB CC(C)c1nc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc2n1C 79475141 PEFCKSWGSQAWOM-UHFFFAOYSA-N 366.425 2.245 0 40 FEAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 2137081 DVAVXIYVPULRRE-UHFFFAOYSA-N 357.501 2.232 0 40 FEAB Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCC(C)C)cc2c1 4132699 GSWSKHQRCMJFCY-UHFFFAOYSA-N 361.511 2.470 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCCCSc2ccccc2)CC1 23040288 ZLQBXYNPHYRTHQ-UHFFFAOYSA-N 370.540 2.347 0 40 FEAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2cc(Cl)ccc12 23479749 BQRQHKRSAPKGBV-UHFFFAOYSA-N 355.829 2.294 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 104858646 JRIJPFROMGRPCH-QLFBSQMISA-N 374.437 2.469 0 40 FEAB O=C(CN1CCCCCC1=O)N1CCN(Cc2ccc(Cl)s2)CC1 23641907 SGZAQNZVQQXXFV-UHFFFAOYSA-N 369.918 2.448 0 40 FEAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1C 7167103 QXVJYTOLNJCFBD-SNVBAGLBSA-N 362.407 2.348 0 40 FEAB Cc1cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2c(O)n1 75163984 AWJGOKRRBSHNKU-UHFFFAOYSA-N 351.288 2.087 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2cccc(OC)c2)n1 7654512 YCDWTVAIWQKATH-UHFFFAOYSA-N 361.467 2.482 0 40 FEAB CNC(=O)CSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 12408454 HWKUJWGCFWMWEX-UHFFFAOYSA-N 368.466 2.113 0 40 FEAB Cc1cc(NC(=O)CCNC(=O)c2ccc(Br)cc2)[nH]n1 47555180 BKUCMNHDMMERNM-UHFFFAOYSA-N 351.204 2.239 0 40 FEAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)N=c1[nH]c2ccccc2[nH]1 61721125 JVSGHIIHMNMTGX-SFHVURJKSA-N 363.421 2.473 0 40 FEAB Cc1nc(CCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)cs1 47733591 OOYHIQHDEYAWEC-UHFFFAOYSA-N 369.450 2.421 0 40 FEAB COc1cc(OC)c2cc(C(=O)N(C)Cc3cnn(C)c3)[nH]c2c1OC 25303905 XOPKIZXIBKLJQY-UHFFFAOYSA-N 358.398 2.199 0 40 FEAB CSc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3233227 ZBUKPKSCGGVXSL-UHFFFAOYSA-N 358.375 2.174 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1cccc(F)c1 57498203 GRLXIVFMRAHHLA-SFHVURJKSA-N 353.401 2.439 0 40 FEAB CCN(CC)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cn1 48176714 YADFTQJXWHWGTL-UHFFFAOYSA-N 355.446 2.072 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cn2cccn2)c2ccccn2)CC1 100750370 XENFLZCJLHJRLK-FUHIMQAGSA-N 369.469 2.078 0 40 FEAB CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 58203041 JLKIPGFVYVHURQ-CQSZACIVSA-N 369.259 2.206 0 40 FEAB NC(=O)Cn1c(SCc2cccc3c2OCCO3)nnc1-c1ccco1 58210104 ILCSKYIGYOSVLT-UHFFFAOYSA-N 372.406 2.087 0 40 FEAB CCN(C)Cc1cccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)c1 58266150 SHLQQVQRTKRTFS-UHFFFAOYSA-N 357.498 2.403 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2cccn2)nc1 58378203 XUTQHNSOMDSLKO-UHFFFAOYSA-N 359.389 2.010 0 40 FEAB O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1cccs1 100750232 FSZXCILCDCIPLM-VXGBXAGGSA-N 359.476 2.044 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 58436432 SLNVEVAWMLUWPB-UHFFFAOYSA-N 353.378 2.389 0 40 FEAB O=C(c1nc2ncccn2n1)N1CCN(Cc2cccc3ccccc23)CC1 36618835 YKAOUUSSSNRSAQ-UHFFFAOYSA-N 372.432 2.236 0 40 FEAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc2nnn(O)c2c1 2659246 WNRJSGYYMMEUSS-UHFFFAOYSA-N 356.310 2.071 0 40 FEAB O=C(COC(=O)c1ccccc1OC(F)F)NC(=O)NCc1ccco1 3573462 DPEHMPUPXUHGTQ-UHFFFAOYSA-N 368.292 2.064 0 40 FEAB Cc1nc(SCc2cc(=O)n3ccsc3n2)c(C(N)=O)c(C)c1C 12984165 UEBJXBFGLVBAIC-UHFFFAOYSA-N 360.464 2.467 0 40 FEAB O=C(NCCNC(=O)c1cccnc1Cl)c1ccc2ccccc2n1 9051777 YSTXLZCFYIGAKW-UHFFFAOYSA-N 354.797 2.443 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9049479 UNEBMNNRGKUCLJ-LSDHHAIUSA-N 368.499 2.401 0 40 FEAB COc1ccc(CCc2nnc3sc(-c4cnccn4)nn23)cc1OC 13732931 KAEIUTLLPINUQG-UHFFFAOYSA-N 368.422 2.445 0 40 FEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(C(N)=O)cc1 4435262 IHQSRXZEUXVZIX-NSHDSACASA-N 352.346 2.298 0 40 FEAB CC(=O)c1cnn(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)c1C 5345417 ZLRDSJVNBXHDQY-UHFFFAOYSA-N 362.437 2.500 0 40 FEAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 14137166 PRONJBBYOBYLAB-HXUWFJFHSA-N 369.396 2.218 0 40 FEAB CN(CCCNC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 9337660 XGFMXZNUUIYLNZ-UHFFFAOYSA-N 353.422 2.269 0 40 FEAB CNC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8033727 OXEXNQPSNGFZBH-OAHLLOKOSA-N 355.419 2.488 0 40 FEAB COc1ccccc1N1CCN(C(=O)COC(=O)c2cccc(F)c2)CC1 8065813 VQRJRHLIHVXFTQ-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)Cc2ccccc21 69269587 WQTZYGWDBXDIDE-UHFFFAOYSA-N 373.478 2.252 0 40 FEAB Cc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c(O)c1 8242020 UVPOWLCCSFMBCX-UHFFFAOYSA-N 367.405 2.196 0 40 FEAB CN(C)[C@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 71824172 XEKQIXSVRKZQAE-CYBMUJFWSA-N 361.364 2.084 0 40 FEAB Cc1c(-c2ccccc2)oc2c(C(=O)NC(C)(CO)CO)cccc2c1=O 8764889 UYXBVRMASFBLKM-UHFFFAOYSA-N 367.401 2.242 0 40 FEAB biogenic CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 72241279 ZHIOWDGBTQTQMS-HZPDHXFCSA-N 362.817 2.093 0 40 FEAB O=C(O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 547548276 LSNUURXPZDYCPV-GFCCVEGCSA-N 360.313 2.205 0 40 FEAB CN(Cc1ccccc1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 35673283 BXHIFTIWXUHCNB-UHFFFAOYSA-N 357.431 2.459 0 40 FEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccc2)c2ccccc21 126027939 YJHZIRJVHKVDQZ-KRWDZBQOSA-N 370.474 2.475 0 40 FEAB COC(=O)COc1c(Br)cc(CO)cc1Br 34772829 MMBDEGZBHCVLST-UHFFFAOYSA-N 353.994 2.256 0 40 FEAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12 34860539 BFVGSSUQYQBPOK-UHFFFAOYSA-N 363.826 2.404 0 40 FEAB Cc1cc(CSc2ncccc2C(=O)N(C)CC(=O)N2CCCC2)no1 47793144 OPESZAVLMYIGME-UHFFFAOYSA-N 374.466 2.365 0 40 FEAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccs2)[C@H](C(=O)O)C1 96198765 WHGCNHKZWDOEMO-CABCVRRESA-N 359.451 2.333 0 40 FEAB CN1CCC2(CCCN2C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 534346177 LVWNLBCFQGJLGS-UHFFFAOYSA-N 359.396 2.215 0 40 FEAB CCN(C)[C@H]1COC2(CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)C1 96220810 AUTDNBPUQGNVCN-GOSISDBHSA-N 366.527 2.400 0 40 FEAB CCCn1cc(CN2CCC[C@@H]2c2nc(C)ncc2CNC(C)=O)cn1 257327638 XCDRBFHYIGMBKU-GOSISDBHSA-N 356.474 2.365 0 40 FEAB CNC(=O)c1cnn2c(C3CCN(Cc4scnc4C)CC3)ccnc12 257209842 BSCNVMZQEJNPGP-UHFFFAOYSA-N 370.482 2.233 0 40 FEAB O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1Cl 90612587 JEZBQEMDMNTFBF-CYBMUJFWSA-N 369.826 2.471 0 40 FEAB CC[C@H]1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)NC1=O 1615589298 KGQVXYSXLDADAC-OAHLLOKOSA-N 369.425 2.121 0 40 FEAB NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc3[nH]cc(C=O)c3c2)C1 1629970518 JYDKBDLMZLSUJN-NRFANRHFSA-N 361.401 2.250 0 40 FEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(Cl)c1 9499581 UVYQWAJPLNOZFS-SNVBAGLBSA-N 363.826 2.406 0 40 FEAB Cc1nc2ccc(NC(=S)N[C@@]3(C)CCS(=O)(=O)C3)cc2s1 575421469 JMEIKPUFYQYPQV-AWEZNQCLSA-N 355.510 2.468 0 40 FEAB CS(=O)(=O)c1ccc(F)c(NC(=O)NC[C@H]2Cc3ccccc3O2)c1 43820670 QPTSRPHOWAYEKW-GFCCVEGCSA-N 364.398 2.354 0 40 FEAB CCN(CC)C(=O)CN(C)c1ccc2nnc(-c3ccccc3F)n2n1 57127556 HKHLNWXLSMQOPE-UHFFFAOYSA-N 356.405 2.235 0 40 FEAB CC(=O)N1CC2(CCN(Cc3cncn3C)CC2)C[C@@H]1Cc1ccccn1 1615155012 JDXHGZXMMZOYPA-IBGZPJMESA-N 367.497 2.261 0 40 FEAB COc1ccc(/C=C2\C(=O)N(C(C)=O)CC(=O)N2Cc2ccccc2)cc1 4091701 HDCGJBNXVDJMQC-XDHOZWIPSA-N 364.401 2.454 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406869 WAYXKNFDLOWTKO-LBPRGKRZSA-N 358.352 2.477 0 40 FEAB COc1cccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 13041870 DEARRWNOJOZVQB-HXUWFJFHSA-N 366.373 2.108 0 40 FEAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nn1C 19709023 UASZQQNVRHTBLV-MRXNPFEDSA-N 362.518 2.273 0 40 FEAB Cc1ccc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)c(C)c1 11990354 DRGKUTDDCPCYKJ-UHFFFAOYSA-N 370.434 2.121 0 40 FEAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3)CC2)n1 17012528 CEAIUXAHFJEJIW-UHFFFAOYSA-N 351.454 2.348 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888863549 OKAGVFXEVSJXEP-SCTDSRPQSA-N 364.449 2.217 0 40 FEAB c1nc(C2CCC2)cc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 1889111443 OHNZVAODHQLGEB-UHFFFAOYSA-N 365.485 2.461 0 40 FEAB Cn1c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc2cccnc21 1889116451 OGWFBIHHUTWWKX-UHFFFAOYSA-N 363.412 2.442 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 21324158 XUNOINQJXPOYTG-GBIKHYSHSA-N 370.327 2.492 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 238958741 YFTYDFJJUOUWDC-LLVKDONJSA-N 364.383 2.113 0 40 FEAB C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1 23995624 WXXHLLJPXVPSGV-VXGBXAGGSA-N 362.289 2.332 0 40 FEAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccnc1 238852795 JQFZUBGCHWGKMS-OAHLLOKOSA-N 366.489 2.419 0 40 FEAB O=C1COC[C@]2(CCN(Cc3ccc(F)cn3)C2)CN1c1ccccc1 2037980964 OVXFLRAQNUGXAH-FQEVSTJZSA-N 355.413 2.476 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1=O 2037985218 BQWKBCCRFKHZLJ-HXUWFJFHSA-N 362.445 2.387 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100080405 VSUQKKOSJVKIKA-JONQDZQNSA-N 359.378 2.236 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)cn1 1565544279 HJWWQHPOTUENAT-KRWDZBQOSA-N 359.470 2.180 0 40 FEAB NC(=O)CSc1nnc2ccc(-c3ccc(Br)cc3)nn12 4376646 XGBIWWQNVDGGAP-UHFFFAOYSA-N 364.228 2.131 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940743 XLCIUVCCYYJFJL-LBPRGKRZSA-N 374.418 2.257 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Cc3ccccc3)CC2=O)cc1OC 5221702 XCTGGXVAEWRQKJ-HNNXBMFYSA-N 354.406 2.168 0 40 FEAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)Nc2cccnc2)c(C)c1 8579899 KVCYEGWBSVUHKV-VWLOTQADSA-N 359.451 2.333 0 40 FEAB Cc1c(O)c(C=O)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 14757603 AQUXTCZWTTUERG-NSHDSACASA-N 356.330 2.381 0 40 FEAB biogenic,in-vitro Cc1cccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055732418 JXOLQFGBYJQPNS-MRXNPFEDSA-N 355.438 2.103 0 40 FEAB O=C([C@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCC(F)(F)CC1 2086887037 SAQNRKGRDWVKJC-OAHLLOKOSA-N 360.351 2.423 0 40 FEAB O=C([C@@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCC(F)(F)CC1 2086887036 SAQNRKGRDWVKJC-HNNXBMFYSA-N 360.351 2.423 0 40 FEAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1cccc(-n2cccn2)c1 211130744 YRQPDPZEQIXXSB-UHFFFAOYSA-N 353.407 2.257 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)n1cccn1 575613400 GWXJJESRNLNHMJ-MRXNPFEDSA-N 356.426 2.188 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cccc(-n3cccn3)c1)C2 618256427 IEORATJAIXDBMM-INIZCTEOSA-N 362.437 2.016 0 40 FEAB Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCCC2=O)CC1 12087813 SOYLUHYYKIBHTK-UHFFFAOYSA-N 352.438 2.145 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 40017181 GBWGOJGSKBNXEX-OAHLLOKOSA-N 361.419 2.124 0 40 FEAB C[S@@](=O)c1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1 40069465 ZHGLCJJIINLMOY-SANMLTNESA-N 370.474 2.476 0 40 FEAB O=C(CCc1ccccc1)NC1CCN(C(=O)Nc2nncs2)CC1 40119120 MJVCKNHNGQDUBV-UHFFFAOYSA-N 359.455 2.283 0 40 FEAB COc1ccc(CCN(C)Cc2nnnn2-c2ccccc2)cc1OC 30537532 YSWXZLRXFRVKJD-UHFFFAOYSA-N 353.426 2.354 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)N(C)Cc2nc3ccccc3[nH]2)no1 30657654 FHRAVIZEZGEYOB-UHFFFAOYSA-N 373.438 2.190 0 40 FEAB COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c1OCCO2 20893080 DOIBFNKDIAGBDS-UHFFFAOYSA-N 368.433 2.424 0 40 FEAB O=C1CCc2cc(C(=O)NCCc3ccc4c(c3)OCCO4)ccc2N1 32836536 GWPCSSZHWMKPMA-UHFFFAOYSA-N 352.390 2.315 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cnc(-c2ccccc2)nc1 21901233 LSPNSQNUMPNCIZ-UHFFFAOYSA-N 357.373 2.492 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nn2cnc3ccccc32)cc1 22024130 MZMSSOCFXJXLMQ-UHFFFAOYSA-N 372.450 2.497 0 40 FEAB CCOC(=O)C(NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)OCC 41620373 NBVMWKQLCABZME-UHFFFAOYSA-N 366.801 2.056 0 40 FEAB CCOc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 33435720 UAKPHFKDJBUSQN-CVEARBPZSA-N 367.449 2.305 0 40 FEAB CC(C)[C@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)NC1CCCCCCC1 61383538 YJEHWPAKTOEUPJ-KRWDZBQOSA-N 363.458 2.191 0 40 FEAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCCO3 928344 YPNOUSTVKKEFPM-UHFFFAOYSA-N 360.435 2.265 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363259 JFDGMTWIRRTYDW-CQSZACIVSA-N 364.492 2.465 0 40 FEAB CCn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1 1649689 LCWLYTDECDZELT-UHFFFAOYSA-N 359.187 2.012 0 40 FEAB COc1ccc([C@@]2(C(OC)OC)NC(=O)N(Cc3ccccc3)C2=O)cc1 1736609 LICIEOLEURPOHN-HXUWFJFHSA-N 370.405 2.261 0 40 FEAB C[C@H]1CCc2nc3ccccc3c(C(=O)NNC(=O)[C@@H]3CCCO3)c2C1 53508483 KCKTWRBQDZCMCJ-SJCJKPOMSA-N 353.422 2.300 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)c(F)cc2Cl)cc1 2646068 QZPHRGDFFSKWDS-UHFFFAOYSA-N 374.796 2.238 0 40 FEAB Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccc(F)cc1 6969539 AGJUDHZIHKAEOC-CQSZACIVSA-N 350.419 2.102 0 40 FEAB COC(=O)C1(CNC(=O)CCCNC(=O)c2ccc(F)cc2)CCCC1 72307205 QKDFVNHOPVNXLF-UHFFFAOYSA-N 364.417 2.185 0 40 FEAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8241108 FJGQYICNZWEYRB-UHFFFAOYSA-N 368.455 2.342 0 40 FEAB Cc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)nc1 12526636 WEAXRRBLQZHGIS-MRXNPFEDSA-N 372.450 2.092 0 40 FEAB CN(CC(=O)NC1CC1)C(=O)CCCOc1ccccc1Br 48043063 PTDOXXPDNVEQAU-UHFFFAOYSA-N 369.259 2.345 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1 12617947 YZFVTUMRHGEEIH-UHFFFAOYSA-N 356.513 2.470 0 40 FEAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1nnnn1C(C)(C)C 100427239 QMQLVTPAXOKWTP-GJZGRUSLSA-N 362.522 2.476 0 40 FEAB CCCCC(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 58174406 ZJNLVDBQMQNOBB-UHFFFAOYSA-N 374.441 2.336 0 40 FEAB Cc1nccn1-c1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cn1 48237190 UVDLUTFONNGAEH-UHFFFAOYSA-N 362.393 2.358 0 40 FEAB COC(=O)CCN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 58218568 HJBOLBWXDLIMAS-UHFFFAOYSA-N 350.802 2.407 0 40 FEAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N1CCSCC1 58440800 NNQSQROJJJRTRF-UHFFFAOYSA-N 369.450 2.125 0 40 FEAB COCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100178424 WNGAUFNQWOMJDC-NJURLCNJSA-N 358.438 2.094 0 40 FEAB CCc1cc(O)n2nc(C3CCN(C(=O)c4ccncc4)CC3)cc2n1 100137526 YTLXMRYVFDFVAD-UHFFFAOYSA-N 351.410 2.412 0 40 FEAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369848 SOSIPGMWAWZUKZ-UHFFFAOYSA-N 369.425 2.296 0 40 FEAB biogenic CCOC(=O)c1sc(NC(=O)CSc2nnnn2C2CC2)cc1C 29528797 ULGOBYKWUGCVSJ-UHFFFAOYSA-N 367.456 2.285 0 40 FEAB Cc1csc(=O)n1CC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 12806865 ZPTDFLATXDGUAR-UHFFFAOYSA-N 374.466 2.031 0 40 FEAB CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691492 ZXHZYROPZDFCNN-UHFFFAOYSA-N 365.282 2.281 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(OC)c1 2652173 YPKYFKAHOSUCDQ-GOSISDBHSA-N 374.462 2.410 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCC1CCCCC1 3520055 WIXXKTRMUANCNW-OAQYLSRUSA-N 369.465 2.467 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)CC1 3600489 RNCGTILPJCANTK-GOSISDBHSA-N 363.845 2.366 0 40 FEAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C[C@@H](C)O1 13097080 UCLCLGIZNVFIND-DTORHVGOSA-N 352.740 2.156 0 40 FEAB CC(C)(C)NC(=O)CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1 13453997 XMSUJCMNDLGDLS-UHFFFAOYSA-N 365.430 2.212 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3cccc(NC(C)=O)c3)n2n1 71286610 YWRMEIZMSZWYIG-UHFFFAOYSA-N 368.397 2.053 0 40 FEAB Cc1ccc2ncc(CN3CCC(CC(=O)N4CCN(C)CC4)CC3)n2c1 93143134 BZDTZSQNVKMRFA-UHFFFAOYSA-N 369.513 2.019 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 6272615 BBCQXYSGEGIZDH-KPKJPENVSA-N 358.419 2.472 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(C)ccc2OC)cc1 14093386 FIBSCJHAFWYVAL-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB CCc1sc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1C 5364456 SFDYPTFBWRQJKZ-UHFFFAOYSA-N 350.396 2.395 0 40 FEAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(Cc2ccco2)CC3)cn1 306144674 ZLXOZFZCCMSGFW-AWEZNQCLSA-N 366.425 2.081 0 40 FEAB CCN(CC)C(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C 4691317 DXQQPAXOZIGHHO-UHFFFAOYSA-N 361.471 2.401 0 40 FEAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)OC 4694920 ZYIWWQUQGMDNDF-JYRVWZFOSA-N 351.380 2.303 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NCCCn1ccnc1 6660524 UAHLBWQMNABBMZ-PTNGSMBKSA-N 370.434 2.126 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408586595 AQCHMKWSCRYCGY-CQSZACIVSA-N 369.487 2.408 0 40 FEAB COc1ccc(NC(=O)COc2ccccc2P(=O)(O)O)cc1Cl 9485130 CTCXFZCTKSELOJ-UHFFFAOYSA-N 371.713 2.169 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 4998931 LVKHKRDBVKXITH-QGZVFWFLSA-N 372.465 2.458 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9420637 SRFNVKMTKHEREL-QMMMGPOBSA-N 363.834 2.318 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)Cn2c(C)cc3ccccc32)c2ccccc2O1 7257830 GCLACHLPIVBHFU-LJQANCHMSA-N 363.417 2.490 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 7390050 DGSMOUBMJZMBQT-UHFFFAOYSA-N 350.378 2.302 0 40 FEAB C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 8884206 BELWJGWOMIYVKN-CYBMUJFWSA-N 359.430 2.359 0 40 FEAB COc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1 89662371 DFYKPNMDKPFWRY-GJZGRUSLSA-N 350.415 2.059 0 40 FEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 409308511 YSINIBFGKBGLPS-OEMYIYORSA-N 363.369 2.216 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306125870 DEIRBUBJMWASBV-CQSZACIVSA-N 352.381 2.261 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)Nc3ccccc3F)C2)n2ncnc2n1 35313385 VQCGDGHREQYYJH-ZDUSSCGKSA-N 354.389 2.427 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38832890 WIHDARVWUZDXAX-RDTXWAMCSA-N 374.462 2.481 0 40 FEAB CC(C)c1csc(CCNC(=O)Cn2c(O)nc3ccccc3c2=O)n1 524732931 CCNKMULSGQYTQO-UHFFFAOYSA-N 372.450 2.041 0 40 FEAB CN(C)CC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 72346179 BSHPIGVVULMIQH-CQSZACIVSA-N 357.433 2.133 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217661863 SPEIZRGCNCFVQA-NEPJUHHUSA-N 358.460 2.299 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 36614943 IPVCRYPCCXHSKV-UHFFFAOYSA-N 370.425 2.093 0 40 FEAB O=S1(=O)C=C[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 190382116 RIODRFPZVZFNHJ-HNNXBMFYSA-N 367.423 2.332 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)n1 528113525 GRAFPUSARKMUFR-NSHDSACASA-N 353.350 2.210 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 225411365 ZFFMJINPBKQTIQ-CQSZACIVSA-N 374.412 2.376 0 40 FEAB Cc1ccsc1C(=O)N1C[C@@H](C(=O)NC(C)C)C2(CCOCC2)C1 96240782 GRCFCQIIJNDLHX-AWEZNQCLSA-N 350.484 2.450 0 40 FEAB CC(C)NC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96240783 LSABKXWEDJJWTG-SFHVURJKSA-N 358.482 2.399 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cn1 95475364 BKTCQPAQTDXTML-SNVBAGLBSA-N 369.356 2.097 0 40 FEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4ccccn4)C3)CC2=O)cs1 96050928 VUXOHSTXSBADNJ-SFHVURJKSA-N 356.451 2.111 0 40 FEAB O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108966 ALWYLSGMYXAWHA-IEBWSBKVSA-N 358.463 2.377 0 40 FEAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2[C@H]4CCCC[C@H]42)C3)C1 247958465 UHWAWMYPEOLDOI-NWGLXNPWSA-N 368.481 2.133 0 40 FEAB CCOCC[C@@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1OC)C2 248002264 DPPMWRLWJSFCKZ-OAHLLOKOSA-N 369.483 2.210 0 40 FEAB CNc1cc(CCNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2ccccn2)n1 257337810 YUMSSPGVUSOGGL-KOMQPUFPSA-N 369.469 2.444 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cccnn3)C2)n1 257242254 IBRLCYJGJFIWJJ-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB O=C(NCCc1ccc2ccccc2n1)NCc1nnnn1-c1ccccc1 593352975 GJHZHKCELBSDNG-UHFFFAOYSA-N 373.420 2.252 0 40 FEAB O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cccc(-c2ccccc2)c1 644393111 BKIOITNHBJIRBF-HXUWFJFHSA-N 366.461 2.386 0 40 FEAB CCn1cc(NC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)ccc1=O 649629125 UFXACUKLELVSQY-UHFFFAOYSA-N 367.409 2.077 0 40 FEAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nc(=O)o[nH]2)cc1 600930822 ZHEPIPHFXQGIJX-UHFFFAOYSA-N 364.361 2.409 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)Br 606444908 GHVCCNYKEUJCIF-MEDZGJRSSA-N 356.264 2.178 0 40 FEAB CC(C)c1ccc(N(C)S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 296197479 JEUIFIVQAVTBKR-AWEZNQCLSA-N 359.513 2.401 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575403420 KLNNHDNYKOENRF-ZDUSSCGKSA-N 356.451 2.073 0 40 FEAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N1CCc2sccc2C1 52117018 DXSIHDKHWWWFAJ-UHFFFAOYSA-N 368.455 2.141 0 40 FEAB CCn1c(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc21 52842049 QEZILQDCCAPZMD-KBXCAEBGSA-N 358.467 2.126 0 40 FEAB CC(=O)N1CCC2(CC1)[C@H](C(=O)N(C)C)c1ccccc1C(=O)N2C(C)C 1549175174 ZNDSOTHLHGJPSC-SFHVURJKSA-N 371.481 2.104 0 40 FEAB Cn1c2ccccc2c2ccc(C(=O)N3CCn4c(CO)nnc4C3)cc21 12117751 OFNKDMUIZARZKL-UHFFFAOYSA-N 361.405 2.071 0 40 FEAB O=C(COc1ncnc2ccccc12)NCc1noc(-c2ccccc2)n1 12202850 HRILYNSOBCZPFO-UHFFFAOYSA-N 361.361 2.375 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3cccc(C)c3)=NC2=N1 13123752 ZJASTOMMPNKWAR-HNNXBMFYSA-N 351.435 2.494 0 40 FEAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C 15624005 NFWJXXNGASMAFV-CYBMUJFWSA-N 369.377 2.261 0 40 FEAB COc1ccc(CNC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 16777940 DVBSBWOGCMNYGQ-UHFFFAOYSA-N 357.439 2.160 0 40 FEAB Cc1csc(NC(=O)CN2CCC(n3cnc4cccnc43)CC2)n1 19240263 FCGMVEVZSYLMAG-UHFFFAOYSA-N 356.455 2.472 0 40 FEAB C=Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 19584238 KWZSRXZMGHPFGV-QHAWAJNXSA-N 352.482 2.154 0 40 FEAB CN1CCc2c(O)nc(C3CCN(C(=O)C4CCCCC4)CC3)nc2C1 19590726 UOGGTPBSALLKGX-UHFFFAOYSA-N 358.486 2.456 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(-n2ccnc2)cc1 19657984 VTCHEMKLMZPYST-UHFFFAOYSA-N 368.466 2.090 0 40 FEAB COc1cc(C(C)=O)ccc1OCC(=O)NCCCn1nc(C)cc1C 6558399 LTIMNWSYHXMECC-UHFFFAOYSA-N 359.426 2.296 0 40 FEAB Cc1ncnc(N2C[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@H]3C2)c1C 1889179490 PIVMUDCLWLBFNK-RTBURBONSA-N 365.481 2.414 0 40 FEAB CCN1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cccs3)sc2C1 21296752 SPPWDGAGSQHCKI-JTQLQIEISA-N 364.496 2.340 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cncnc3)CC2)CN1c1ccc(F)cc1 2037841084 VUDOJNMDSNDTPP-FQEVSTJZSA-N 370.428 2.404 0 40 FEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCN2CCCC2=O)C1 2037909325 TXAFGBVVFPAQNW-HXUWFJFHSA-N 360.454 2.086 0 40 FEAB CCCc1cc(=O)n(CC(=O)NC2CCCCC2)c(-n2nc(C)cc2C)n1 9761572 CBTJPICMDMZDNL-UHFFFAOYSA-N 371.485 2.447 0 40 FEAB CCOc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 20616828 ASRJFDJOURBWKQ-UHFFFAOYSA-N 353.378 2.117 0 40 FEAB c1ccn2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1 22868524 CCAAKQVJLMVSJT-UHFFFAOYSA-N 350.422 2.381 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@H]2CCSC2)nc1 225716847 BEOHWBRANHJMHB-ZDUSSCGKSA-N 367.471 2.220 0 40 FEAB CC(=O)NCc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 40007685 QWQLZSMEOHDPOZ-LJQANCHMSA-N 357.429 2.495 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1ccc(OCC(F)(F)F)nc1 40043364 CMZRICYENIVPPL-UHFFFAOYSA-N 369.347 2.271 0 40 FEAB O=C(Cc1ccc2c(c1)CCCC2)N1CCN(C(=O)c2ccccn2)CC1 30449026 WMQNBOGQEYINAV-UHFFFAOYSA-N 363.461 2.488 0 40 FEAB O=C(CCSc1ccccc1Br)NCCN1CCOCC1 40107272 WHOSXIGGVIUJEU-UHFFFAOYSA-N 373.316 2.380 0 40 FEAB O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1cccnc1 20102345 XBITVTVVSRRDDS-VMPITWQZSA-N 366.490 2.427 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O 31654369 JJNMHLOITYGIKS-GOSISDBHSA-N 352.350 2.221 0 40 FEAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccccc1-c1ccccc1 32689037 OANDMCQUAOUMMZ-UHFFFAOYSA-N 363.373 2.245 0 40 FEAB COc1cc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)ccc1OC(F)F 32962404 OKYYOGWVZQTNER-OAHLLOKOSA-N 358.385 2.416 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1Br 8971194 LCYSNJHQLZZAPK-UHFFFAOYSA-N 374.194 2.091 0 40 FEAB CC(=O)NCc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)o1 22535430 ICNBHPUCRBIMTC-UHFFFAOYSA-N 359.407 2.491 0 40 FEAB Cc1nc(SC(F)F)nc(O)c1CCC(=O)NCc1ccccn1 23174987 ZZYCDLMWTBZRSX-UHFFFAOYSA-N 354.382 2.449 0 40 FEAB O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2cccs2)CC1 7213813 PDKAFPWWVKDFAR-UHFFFAOYSA-N 370.521 2.275 0 40 FEAB NC(=O)C1CCN(C(=O)c2sc(=S)n(-c3ccccc3)c2N)CC1 3018662 DSYZWXLMJZONHU-UHFFFAOYSA-N 362.480 2.188 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 24032332 BUSSDFYSLHNGBS-UHFFFAOYSA-N 362.433 2.190 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 8263619 BRJAENGWJVWDHT-MRXNPFEDSA-N 370.236 2.330 0 40 FEAB Cc1ccc(C)n1-c1c(C(=O)NC[C@@H]2COc3ccccc3O2)cnn1C 55977496 UKPIQKYDPVWSSE-OAHLLOKOSA-N 366.421 2.397 0 40 FEAB O=C(NCCCCOc1ccc(F)cc1)N1CCN(c2cnccn2)CC1 26160593 QQFCAJXLZHIMTO-UHFFFAOYSA-N 373.432 2.307 0 40 FEAB O=C1NCCCC[C@H]1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 56978794 DMXRPVBEYFRQDN-TZMCWYRMSA-N 370.236 2.271 0 40 FEAB Cc1ccc(F)cc1NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 57115869 BJNJFJSJJSXXFV-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)O)ccc12 2099057 UMCAGIBYYQWPFC-LBPRGKRZSA-N 361.394 2.412 0 40 FEAB biogenic C[C@H]1CN(C(=O)CCNC(=O)CCOc2ccccc2Cl)C[C@H](C)O1 58378440 BQISQABNLXKMQJ-KBPBESRZSA-N 368.861 2.251 0 40 FEAB CC(C)CCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58324266 CTSFBKJASMGLRK-DLBZAZTESA-N 355.438 2.423 0 40 FEAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 28208488 ROFKPHRQCROEAO-UHFFFAOYSA-N 370.515 2.193 0 40 FEAB COc1ccc(OC)c2c(SC[C@H](NC(C)=O)C(=O)O)cc(C)nc12 2348359 UCXYSNISEUSVRY-NSHDSACASA-N 364.423 2.242 0 40 FEAB O=C(COCc1nc2ccccc2c(=O)[nH]1)NCCCOc1ccccc1 12741068 HMLLTAYLADUAJA-UHFFFAOYSA-N 367.405 2.025 0 40 FEAB O=C1CN(C(=O)CSc2ncn(-c3ccccc3)n2)c2ccccc2N1 11941143 FNIDOFQUNPLUOA-UHFFFAOYSA-N 365.418 2.345 0 40 FEAB CCOCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20484344 XLRVCWZIKANESB-UHFFFAOYSA-N 368.499 2.159 0 40 FEAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCCNC3=O)c12 46767623 ZMVXRJFPAPSMPJ-AWEZNQCLSA-N 356.426 2.451 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)s1 12902010 LGPDNZDUQXUBSP-UHFFFAOYSA-N 363.464 2.126 0 40 FEAB COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C(C(N)=O)=C(C)N3)cc1 13123517 LCIRNIQAKVCOBY-MRXNPFEDSA-N 362.393 2.123 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19556775 KHWMYTSEJQOBMD-FGTMMUONSA-N 356.466 2.430 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1OC(F)F 14138823 JYOAUWDZNRUCCY-UHFFFAOYSA-N 367.352 2.481 0 40 FEAB C[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H](C)C1 97020909 WFXJJXZTZROZFG-NXEZZACHSA-N 352.236 2.395 0 40 FEAB Cc1ccc2nc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cn2c1 9337433 XMPYVHRRVPBOIR-FQEVSTJZSA-N 362.389 2.373 0 40 FEAB CNc1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccc(OC)cc1 9376394 CPIULTQDNKBWEI-UHFFFAOYSA-N 357.366 2.242 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccccc3)o1)CS2 5876084 RBIDYMWRLXVDRA-SJCJKPOMSA-N 359.407 2.234 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7128589 RUKDAJMLBQNMIE-UHFFFAOYSA-N 373.796 2.381 0 40 FEAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(OCC)cc2)n[nH]c1=O 7364836 DIAZFIBPHZGIDH-LLVKDONJSA-N 350.444 2.499 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 7667292 PDDRFNCYRKCVSN-ZDUSSCGKSA-N 374.462 2.336 0 40 FEAB O=C(CC1(C(=O)O)CCCC1)Nc1ccccc1C(=O)N1CCOCC1 71795967 ISMRWUIONGPGFU-UHFFFAOYSA-N 360.410 2.133 0 40 FEAB CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 7803990 FDXFTJKIHVOBSW-ZNMIVQPWSA-N 368.499 2.259 0 40 FEAB CC[C@@H](On1nnc2ccc(C(=O)OC)cc21)C(=O)Nc1ccccc1 8726458 KISGHSKMARUULQ-MRXNPFEDSA-N 354.366 2.064 0 40 FEAB Cc1noc(C)c1CN(C)CCC(=O)Nc1ccc2c(c1)NC(=O)CO2 95456770 NXNSFXLMBFXZKJ-UHFFFAOYSA-N 358.398 2.083 0 40 FEAB C[C@@H](N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)C1(C)CC1 75108233 RTQJWDRNZRTULV-CYBMUJFWSA-N 353.488 2.070 0 40 FEAB O=C(NC(=S)Nc1ccc2nc(O)[nH]c2c1)c1ccc2c(c1)OCCO2 408628908 XWGUZSIAGZRFNV-UHFFFAOYSA-N 370.390 2.167 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 20245625 WQSSSHMBQIAIGS-UHFFFAOYSA-N 351.403 2.321 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCC(C)C 408563201 UVZQYXMXDRCIQT-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB CCn1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 39998399 MXROJOXRYORMCQ-UHFFFAOYSA-N 357.435 2.239 0 40 FEAB CN(C)c1ccnc(NC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)n1 516429109 BGXPTUFYJDUUTQ-LJQANCHMSA-N 367.409 2.184 0 40 FEAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nnc(CC(C)C)s1 72401508 ZKUACNNSZPEAHJ-UHFFFAOYSA-N 373.438 2.099 0 40 FEAB Cc1cc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c(C)o1 183238117 WVDLWTNFGSWQPV-UHFFFAOYSA-N 366.414 2.069 0 40 FEAB COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1CO 2362803242 TXXWGNOZEJNWCE-UHFFFAOYSA-N 350.415 2.023 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCOCC1 217639099 RYIBPFAWXVEXHR-UHFFFAOYSA-N 362.407 2.022 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(N)=O)c2nnc(-c3ccc(C)cc3)o2)cc1 35681831 OWFUCBCIRSTXCS-HNNXBMFYSA-N 350.378 2.310 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 217509213 VMPWHPIXSMSEMA-UHFFFAOYSA-N 370.471 2.080 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217649341 VKMLORKPFJLWAA-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB CCCN(C)c1ncc(S(=O)(=O)c2cc(Cl)ccc2OC)c(N)n1 71772007 FAOULIXZRTUQFT-UHFFFAOYSA-N 370.862 2.400 0 40 FEAB COc1ccc(/C=C/c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1 40388503 ICHGSRCYEQFJHR-GORDUTHDSA-N 364.405 2.334 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225728763 ZYIVBLLTQQYGQZ-LLVKDONJSA-N 353.300 2.082 0 40 FEAB Cc1nc(NCc2ccccc2)sc1C(=O)N1CCC(C(N)=O)CC1 40288542 CSLBEMZGUXCNTB-UHFFFAOYSA-N 358.467 2.401 0 40 FEAB CC1(C)CCCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 225089324 YUVVODISWPKZNF-UHFFFAOYSA-N 350.440 2.151 0 40 FEAB Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1[C@@H](C)C1CC1 529911609 VNINXLAUOLDPQI-INIZCTEOSA-N 360.502 2.489 0 40 FEAB COC(=O)c1cnc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)s1 225716441 JKLNZJACJFCLAL-JTQLQIEISA-N 365.436 2.461 0 40 FEAB NC(=O)c1n[nH]c2ccc(NC(=O)c3cnnc(-c4ccccc4)c3)cc12 583471544 OVEMWDYTNXUHHO-UHFFFAOYSA-N 358.361 2.371 0 40 FEAB CCS(=O)(=O)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96038261 QASHJGDDKFRVRX-UHFFFAOYSA-N 371.466 2.320 0 40 FEAB O=C(NCc1cccc(F)c1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96147308 RQLGPUUIOHBMMF-UHFFFAOYSA-N 366.352 2.295 0 40 FEAB O=C(c1cccnc1)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 96110412 JFYSVYNMISPVQT-QUCCMNQESA-N 353.422 2.315 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CCO1 95476736 NLDJWQDSQJSLJN-VXGBXAGGSA-N 374.416 2.129 0 40 FEAB C[C@H]1[C@H](CCN(C)C)COCCN1S(=O)(=O)c1ccccc1Cl 248072335 BBUDHVDJNBHLQN-UONOGXRCSA-N 360.907 2.317 0 40 FEAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 247514785 JONMQSWCMCTRIM-SFHVURJKSA-N 370.478 2.142 0 40 FEAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 248118120 MFGREFXBVQGPRC-FXAWDEMLSA-N 357.454 2.120 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2cnc(Nc3ccccn3)cn2)C1 257290931 QEYNHPUNMNFXMH-CQSZACIVSA-N 363.425 2.433 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccc(F)cc2C)n1 257330287 XNRVVUHBKWCIBE-MRXNPFEDSA-N 358.417 2.417 0 40 FEAB O=C(Nc1cc(CCC2CCN(CCO)CC2)ccn1)c1ccccn1 257229983 GAFCGBIXUORYFM-UHFFFAOYSA-N 354.454 2.366 0 40 FEAB CC(C)n1c([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3)C2)nc2ccccc21 262304438 ATBOLAZVFDKBDR-INMHGKMJSA-N 356.470 2.046 0 40 FEAB COc1ccc(-c2cc(C(=O)N3CCc4nc[nH]c4C3)n[nH]2)cc1OC 647736325 JJANIBMBVGQBPV-UHFFFAOYSA-N 353.382 2.016 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](c1ccccc1)c1nc[nH]n1 658273087 SWUXZGSAEFOGGQ-CGTJXYLNSA-N 352.442 2.385 0 40 FEAB O=C(O)c1cnc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)cn1 566211609 ODYHKXIYSSFWFT-UHFFFAOYSA-N 366.421 2.090 0 40 FEAB Cc1ccsc1CN1Cc2cccn2C[C@@H](CCNS(C)(=O)=O)C1 585095099 FRTJRGMOJDSUOA-HNNXBMFYSA-N 367.540 2.429 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 585107325 PVYRJHRFGHIXBJ-CRAIPNDOSA-N 363.408 2.120 0 40 FEAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N1CCC(c2ccncc2)CC1 585278983 BILJROWSRMPLEQ-RTBURBONSA-N 359.470 2.061 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3ccc(C)nc3O)C2)cc1 585276199 KWTVUTWIUIUADD-HXUWFJFHSA-N 356.422 2.450 0 40 FEAB Cn1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)cn1 76017662 CKRPICLPSZPNKE-UHFFFAOYSA-N 370.453 2.099 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 12117077 QQKPDWBKXCAWEX-LLVKDONJSA-N 364.427 2.040 0 40 FEAB Oc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 13265923 FZPGDMIDZUPWDP-HNAYVOBHSA-N 352.438 2.281 0 40 FEAB CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)c3scnc3C)C2)no1 19693838 ONLANCDIAVRJDF-LLVKDONJSA-N 370.438 2.484 0 40 FEAB COCCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCCCC2)c1=O 22697885 MRBWCIQSPUKVEO-IBGZPJMESA-N 357.454 2.479 0 40 FEAB CCn1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)nc2ccccc21 1888860307 RXOIFGSRGGNSLM-IAGOWNOFSA-N 368.481 2.377 0 40 FEAB CCc1cccc2sc(N3CCN(S(=O)(=O)C4CC4)CC3)nc12 1888876024 WAASMXXFEZFIAO-UHFFFAOYSA-N 351.497 2.473 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1Cc1ccco1 16681179 YWZGFXGPLKHLEG-UHFFFAOYSA-N 354.362 2.474 0 40 FEAB Cc1ncoc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037985118 YEMPNFPTEWNJFI-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB CSc1cccc(C(=O)N2CCCN(c3ccc4nncn4n3)CC2)c1 1565522890 AWISYFJREUJJBE-UHFFFAOYSA-N 368.466 2.199 0 40 FEAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)O1 1565554101 KFBHTJXMXNGYRE-KRWDZBQOSA-N 359.470 2.014 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccnc3)CC2=O)cc1OC 4272713 ABGLVTGEOYAUKF-ZDUSSCGKSA-N 356.382 2.026 0 40 FEAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc2ccccc2oc1=O 22480480 ASMOKHKESQYCFN-UHFFFAOYSA-N 353.330 2.331 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 38678533 HILJJEFNZHWTSP-UHFFFAOYSA-N 364.405 2.187 0 40 FEAB CNC(=O)c1nsc(C(=O)NCc2cccc(C(F)(F)F)c2)c1N 49006207 YSMPTWHZPOYFRH-UHFFFAOYSA-N 358.345 2.034 0 40 FEAB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 4280374 NQILVNGUODHNEU-UHFFFAOYSA-N 373.434 2.013 0 40 FEAB CCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccc(C)cc1 40153415 WDECEULGGNYCSE-UHFFFAOYSA-N 357.498 2.288 0 40 FEAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2COCCO2)cc1 30844802 ZVPZBCNQZAWAKS-FQEVSTJZSA-N 354.450 2.447 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N(c3ccccc3)C2=O)c1 32727483 YUTYANCEWPOZRX-UHFFFAOYSA-N 351.362 2.237 0 40 FEAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCS(=O)(=O)C1 32854821 KGDIFCOAPTUCDU-LBPRGKRZSA-N 351.424 2.491 0 40 FEAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cccs3)cc2)CC1 21821368 CDDHFFIFGRFBNV-UHFFFAOYSA-N 366.464 2.184 0 40 FEAB CCn1c(C)nnc1[S@](=O)CC(=O)N(C)Cc1cccc(Cl)c1 79000104 MGZRVAWCAXNHDJ-QHCPKHFHSA-N 354.863 2.026 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 6597171 UTRNJWGNAIYSCY-CQSZACIVSA-N 356.488 2.449 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23110542 WUKUBMXHTXIXQJ-KRWDZBQOSA-N 374.444 2.492 0 40 FEAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 12536270 MNMFYBZHMBOFNN-UHFFFAOYSA-N 374.871 2.439 0 40 FEAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1nnc2ccccn12 8352426 PQXODXYDEFRCEA-UHFFFAOYSA-N 366.356 2.167 0 40 FEAB COc1cc(CC(=O)OCC(=O)NCc2ccccc2)cc(OC)c1OC 3249935 XSEBEGPFYKHBNF-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2[nH]nc3ccccc23)cc1OC 25500036 CSOVEFXGRBJMBS-UHFFFAOYSA-N 369.377 2.053 0 40 FEAB O=C(Nc1cccc(-c2nnco2)c1)N1CCN(Cc2ccncc2)CC1 44086830 MXVUSGUPMDXUOP-UHFFFAOYSA-N 364.409 2.481 0 40 FEAB Cc1ccccc1-n1nnnc1SCCN1C(=O)c2ccccc2C1=O 3287942 RSAUFITZAFYJLY-UHFFFAOYSA-N 365.418 2.359 0 40 FEAB COCCCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180097 ARUMTAYSTDBRDZ-IWMXFIMRSA-N 372.465 2.484 0 40 FEAB CC(=O)N1CCCN(C(=O)COc2ccc(Oc3ccccn3)cc2)CC1 44684317 MVXALLWZMSFMLC-UHFFFAOYSA-N 369.421 2.334 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1=NCCS1 10028010 CLAMBMDGBHEMBR-UHFFFAOYSA-N 367.496 2.002 0 40 FEAB CNC(=O)c1nn(CN(C)Cc2ccccc2C)c(=O)c2ccccc12 12764718 HAHZXPVTSHTKHH-UHFFFAOYSA-N 350.422 2.154 0 40 FEAB CCc1cccc(C)c1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3345798 LJBXEOXCZWZLLG-UHFFFAOYSA-N 353.382 2.099 0 40 FEAB COC(=O)c1ccccc1OS(=O)(=O)c1cc(OC)c(OC)cc1F 27932864 XPXNLZXIVZAFHL-UHFFFAOYSA-N 370.354 2.397 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)nc3)CC2=O)c(OC)c1 10742371 UEZXWHKNFPHVFN-GFCCVEGCSA-N 371.393 2.099 0 40 FEAB Cc1cccc(-c2noc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)n2)c1 36396108 NMBKJUOJVXSMPW-QGZVFWFLSA-N 370.453 2.116 0 40 FEAB CNC(=O)C1CCN(C(=O)c2cc(OC)ccc2Br)CC1 37979440 FERFFPBTNKYYQH-UHFFFAOYSA-N 355.232 2.056 0 40 FEAB CCOC(=O)N[C@H](C(=O)O[C@@H](C)c1cccc(-n2cnnn2)c1)C(C)C 48324841 KCRNNTHFYYJWRT-WFASDCNBSA-N 361.402 2.037 0 40 FEAB CCN(CC)CC1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 48343309 OXCCWOCNHQVATL-IBGZPJMESA-N 370.501 2.037 0 40 FEAB CCSc1nc(N(CO)CCO)c2c3c(sc2n1)COC(C)(C)C3 2406809 ZZRCFUCFIFDKQH-UHFFFAOYSA-N 369.512 2.403 0 40 FEAB COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 8726637 DTABVFOZOHBMAZ-UHFFFAOYSA-N 371.412 2.398 0 40 FEAB CCCCN(C)C(=O)C1CCN(C(=O)c2cnc3[nH]nc(C)c3c2)CC1 64299783 RXYBEAFUJZMGKF-UHFFFAOYSA-N 357.458 2.377 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(C)C)c(O)c1 6307938 GDRPZFREKLEHAR-HNNXBMFYSA-N 350.440 2.393 0 40 FEAB O=C(CNC(=O)COc1ccccc1)NCC1(c2ccccc2)CCC1 14085050 PFYXXDVCVOOSAN-UHFFFAOYSA-N 352.434 2.420 0 40 FEAB CCNS(=O)(=O)c1ccc(-c2nnc3c4ccccc4c(C)nn23)o1 5322098 PBMBVEJWVUUZDD-UHFFFAOYSA-N 357.395 2.144 0 40 FEAB Cc1ccc(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)s1 14201278 SUZAQDIHFLNHKG-JTQLQIEISA-N 371.509 2.062 0 40 FEAB O=C(CSc1cn[nH]n1)Nc1cccc(Cl)c1N1CCOCC1 71258830 VECJCSNIJUISLF-UHFFFAOYSA-N 353.835 2.026 0 40 FEAB COc1cc(C[C@@H]2CC(CNCC3CCOCC3)=NO2)cc2c1OCO2 15085780 MKSDHDCWWWKTFP-MRXNPFEDSA-N 362.426 2.128 0 40 FEAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(OCC)cc2)C1 7015295 UWOQFBPMANMXKP-HOTGVXAUSA-N 351.443 2.100 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O 19797410 VBVJJBKZXRUMML-ZDUSSCGKSA-N 370.430 2.202 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nnc(C)s2)c(C)c1 23626038 JWTUXVYJRPLXAT-UHFFFAOYSA-N 368.484 2.079 0 40 FEAB O=C(N[C@@H]1CCOC[C@@]12CCN(C(=O)c1ccccc1)C2)N1CCCC1 306131773 KPJBINPSWBYEOD-XLIONFOSSA-N 357.454 2.113 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)s1 17734757 KOPAMQXDXBSOFG-UHFFFAOYSA-N 373.409 2.159 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cn1 17735954 CPSHYSIZERJVGV-LBPRGKRZSA-N 368.389 2.427 0 40 FEAB COCCOc1cc(NC(=O)NCCc2ccc3c(c2)OCO3)ccn1 95464630 HWYNQFHWOGUUCK-UHFFFAOYSA-N 359.382 2.200 0 40 FEAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2)n1 27748607 LWARDAXIRXVSQF-UHFFFAOYSA-N 370.228 2.285 0 40 FEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2cnn(C(C)C)c2)C3)n1 306139872 UDBGFNNRWWQTPZ-QGZVFWFLSA-N 357.458 2.375 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 24243083 HESCQXDPTWTQGT-AWEZNQCLSA-N 351.878 2.004 0 40 FEAB Cc1ccc(F)c(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1 39994101 MPMPGHWXCNAOFG-SNVBAGLBSA-N 355.391 2.044 0 40 FEAB COC[C@@H]1C[C@@H](OC)CN1c1ccc2nnc(-c3cccc(F)c3)n2n1 528011828 LKGXRLRUBJRALF-LSDHHAIUSA-N 357.389 2.171 0 40 FEAB CNCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(OC)cc2)C1 72363286 VUODOCXRPUHPHX-AWEZNQCLSA-N 356.426 2.203 0 40 FEAB CCOC(=O)Cn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 71283408 SEPHRVUOHBNATJ-UHFFFAOYSA-N 359.407 2.279 0 40 FEAB C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccn1 61984088 KIZQODFAIUMMRV-ZDUSSCGKSA-N 354.435 2.319 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 35485360 NTUKPSYPNBWTMB-OALUTQOASA-N 355.482 2.141 0 40 FEAB O=C1NC2(CCN(C(=O)c3cccc4nccnc34)CC2)Oc2ccccc21 72347633 ROPSEKBZBODNPJ-UHFFFAOYSA-N 374.400 2.385 0 40 FEAB Cc1cc(N2C[C@@H](C(=O)O)CC2=O)cc(C)c1I 45889726 HYCZZVYXSAWWTJ-VIFPVBQESA-N 359.163 2.346 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 225880332 GVYOGMMPUISJGH-VIFPVBQESA-N 371.459 2.477 0 40 FEAB COc1cccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1OC 225044017 VATQFHNADUJODQ-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB C[Si](C)(CNC(=O)CCNC(=O)Cc1ccccc1)c1ccccc1 195565221 PMMULNKPABCNIR-UHFFFAOYSA-N 354.526 2.006 0 40 FEAB COc1cc(N2CCCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906524 QNPMFEUUKWXDBO-CYBMUJFWSA-N 365.503 2.331 0 40 FEAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)cs1 96239366 AHTZVRBZXYAUFX-GOSISDBHSA-N 356.451 2.111 0 40 FEAB Cn1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc32)nc2ccccc21 96223842 UBEKYVVZWQMIGC-QGZVFWFLSA-N 362.433 2.497 0 40 FEAB CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CN3CCCC3)CO2)C1 96228371 MXBUBNZMPHNGOX-FXAWDEMLSA-N 360.502 2.319 0 40 FEAB COc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 96112064 RUFJARDCTCHALG-PBHICJAKSA-N 370.384 2.346 0 40 FEAB biogenic,in-vitro Cc1oncc1C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159670 VUCQOZDBRKHYDS-LJQANCHMSA-N 357.385 2.387 0 40 FEAB CN1CCO[C@@H](CNc2nc(O)c3ccccc3n2)[C@@H]1c1ccccc1 583617571 YRUIIIFJBYJWJI-ROUUACIJSA-N 350.422 2.819 0 40 FEAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)s1 96055587 VAUBNPGZWQWROA-KURKYZTESA-N 364.511 2.331 0 40 FEAB O=C1CCCN1C[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247856103 JSEYVPRJFSNNPY-IBGZPJMESA-N 354.454 2.079 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1 248164446 YZLXLHRDYLGRPY-CYBMUJFWSA-N 364.496 2.102 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 257344160 ZWAAFDBWEHBCON-HNNXBMFYSA-N 354.454 2.481 0 40 FEAB Cn1nccc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 257238550 HLNWJUVSDQJEAQ-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB CC(=O)N1CCC(Cc2cnc(CN(C)Cc3cc(C)on3)cn2)CC1 257318387 VNRYICQWWZYZGV-UHFFFAOYSA-N 357.458 2.206 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(Cc3c[nH]cn3)C2)n1 257310246 UEJJLVBCALWGDY-AWEZNQCLSA-N 350.430 2.421 0 40 FEAB Cc1cncc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)c1 257287988 PSHIYAPLUFPTBS-YJBOKZPZSA-N 371.412 2.314 0 40 FEAB CN(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccc(Cl)cc1 260760961 CTBCRINMUQEBSH-SLEUVZQESA-N 356.875 2.265 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 91781248 HQMUQRKANCPDFR-OAQYLSRUSA-N 367.497 2.262 0 40 FEAB O=C(NCC1(N2CCOCC2)CCC1)c1cc(Br)cs1 1776009150 WIJTZIUYSPIJLF-UHFFFAOYSA-N 359.289 2.495 0 40 FEAB O=C(Cn1cc(C(=O)O)cn1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 630115096 BUCPEUSBZDQGOT-WCQYABFASA-N 353.300 2.272 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)c1 652384806 ODCAAKIRQZNYJS-IMJJTQAJSA-N 356.463 2.184 0 40 FEAB COc1ccccc1[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1noc(C)n1 655744345 YEWFZIQSBQOBOB-APWZRJJASA-N 372.469 2.319 0 40 FEAB Cc1cc(=O)n(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cn1 677796635 RJFPVHWMDOUNOA-UHFFFAOYSA-N 361.448 2.127 0 40 FEAB NC(=O)C1(c2ccccc2)CCN([C@@H]2CCc3ccccc3NC2=O)CC1 683009649 QLAVEBXTAKXXNS-LJQANCHMSA-N 363.461 2.459 0 40 FEAB CN1CCC(c2ncc(C(=O)N3C[C@H](O)C[C@H]3c3ccccc3)[nH]2)CC1 685942777 VSDLVAAZMPZAAJ-AEFFLSMTSA-N 354.454 2.167 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575405183 QUSVAXBELNECAQ-HNNXBMFYSA-N 363.421 2.199 0 40 FEAB CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCc3c[nH]nc3C2)cc1 673084623 XJEYUUDFNJZLKO-LBPRGKRZSA-N 362.455 2.032 0 40 FEAB Cc1nc(C)c(C(=O)N2CCc3ncc(-c4c(C)cnn4C)n3CC2)s1 585111133 FUVNDSPAXMELIX-UHFFFAOYSA-N 370.482 2.364 0 40 FEAB Cc1ccccc1[C@H]1CN(C(=O)c2cnc(C3CCNCC3)[nH]2)CCO1 685941314 CJOFJJMIDHPOSR-GOSISDBHSA-N 354.454 2.399 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCc2c(C)nn(C)c2C)cc1C 84077438 SXJXRWIJKXVDTL-UHFFFAOYSA-N 351.472 2.183 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cccc3nccn23)C1 548673013 LTNIMGKBNQCITM-SFHVURJKSA-N 355.467 2.337 0 40 FEAB O=C(NCC(F)(F)c1ccc(F)cc1)N[C@@H]1C[C@H]2CCCCN2C1=O 661302289 RFVUGXJYJCTQDF-ZIAGYGMSSA-N 355.360 2.370 0 40 FEAB COC(=O)c1ccccc1Nc1nnc(Cc2ccc(F)cc2)c(=O)[nH]1 5154453 YIYSEMLZNAESBX-UHFFFAOYSA-N 354.341 2.425 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1C(=O)C1CCCCC1 12115049 BIASLGXYSYFTKT-MRXNPFEDSA-N 356.422 2.379 0 40 FEAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)[C@@H]2CCOC2)C1 12238855 YFRGDFXBFGDABL-IUODEOHRSA-N 353.426 2.100 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1 16293334 PCRDSKLOJDQFIH-UHFFFAOYSA-N 360.435 2.453 0 40 FEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575236 GXIQXVDIUSTQTP-HNNXBMFYSA-N 368.499 2.401 0 40 FEAB O=C(Nc1nc(CCC(=O)N2CCCCCC2)cs1)c1ccc(=O)[nH]c1 16851276 NJXQETLABRVCMT-UHFFFAOYSA-N 374.466 2.419 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233543 WUXYIRNGRZYWIF-HIFRSBDPSA-N 353.426 2.099 0 40 FEAB Cn1nc(N2CCC[C@H](C(=O)N[C@H]3CCCc4ccccc43)C2)ccc1=O 245108424 SWPCYSCCTOAYTG-WMZOPIPTSA-N 366.465 2.191 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1 2636307 PRGFDSYUPKOSDU-UHFFFAOYSA-N 363.410 2.126 0 40 FEAB aggregator Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CN(C)CC2 23607612 NVYSJTPLOZJCAU-UHFFFAOYSA-N 354.439 2.272 0 40 FEAB Cc1cc(C)nc(N2CC[C@H]3C[C@H](CN4C[C@@H](C)O[C@H](C)C4)O[C@H]3C2)n1 2056225268 HFXXEHIEBSOOMB-FQBWVUSXSA-N 360.502 2.186 0 40 FEAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)C1CC(O)C1)CC2 1614927417 PZKTXYZXTZOSNA-CTWPCTMYSA-N 370.493 2.278 0 40 FEAB O=C(c1cc[nH]c1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@@H]2C1 1565546159 VDCPKQVGSMNCLV-SFHVURJKSA-N 353.470 2.457 0 40 FEAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc2s1 13789930 NVEMCJINFMBCFA-LLVKDONJSA-N 353.469 2.215 0 40 FEAB CCOc1ccc(CC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 17307615 GRDPXUMMQOKUCR-UHFFFAOYSA-N 373.363 2.198 0 40 FEAB CC(C)c1noc(CN2CCC(n3nc4c(cc3=O)CCCC4)CC2)n1 2298182281 OZSQDAXILWFEDU-UHFFFAOYSA-N 357.458 2.466 0 40 FEAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1ccc(-n2cccn2)nc1 40145980 VHIWCVXQWWQJMW-LBPRGKRZSA-N 368.363 2.273 0 40 FEAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)s1 31815658 HTWSNKUWZDTNFQ-VIFPVBQESA-N 366.830 2.330 0 40 FEAB COC(=O)c1cc(O[C@H](C(N)=O)c2ccc(F)cc2)cc(C(=O)OC)c1 12259931 GRMROTUIXLFULI-HNNXBMFYSA-N 361.325 2.004 0 40 FEAB Cn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1 2809188 BGUARSCGMHBTEI-UHFFFAOYSA-N 357.435 2.054 0 40 FEAB O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1cccc2cccnc12 77857250 DKRMNTGEQBBGKC-MRXNPFEDSA-N 353.353 2.162 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)Nc2ccc(OC)c(OC)c2)cc1 47335912 YXECEULPHZINKS-UHFFFAOYSA-N 373.409 2.264 0 40 FEAB COc1ccc(-c2cc3nc(C)c(C)c(N(C)CCO)n3n2)cc1OC 1340856 FETICXXOOMWMRB-UHFFFAOYSA-N 356.426 2.459 0 40 FEAB COC(=O)c1ccc(OC)c(NC(=O)CCc2nc3ncccc3[nH]2)c1 79487360 XOBHGBWIPYBJFC-UHFFFAOYSA-N 354.366 2.324 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)n1 23246215 XAFSXSBTQRSNIA-AWEZNQCLSA-N 362.861 2.478 0 40 FEAB CC(C)CCOCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 54899772 PCXWFAYCBMSCQY-UHFFFAOYSA-N 363.483 2.126 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccco3)ccc21 8447816 ZLDFSXAPUWYMCL-UHFFFAOYSA-N 363.391 2.032 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2ccccn2)c1C 12534124 SFZOUZCMAHLSKZ-UHFFFAOYSA-N 351.453 2.077 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)/C=C(\C)C3CC3)CC2)c1 55260391 LZYQEIIDGBFJCG-GXDHUFHOSA-N 358.438 2.345 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)c3snnc3C)cc2n1 100139080 IOPJEAFMQQYESI-GFCCVEGCSA-N 358.427 2.135 0 40 FEAB Cc1cccc(OCCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 43780687 BXNCXFVQGAXMNN-INIZCTEOSA-N 355.442 2.132 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(OC)ccc1OC 3219240 GBIXXFFUYBQCJU-UHFFFAOYSA-N 360.366 2.293 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3OC)C2=O)c(OC)c1 101276079 ODRHLRPBBSMUET-CQSZACIVSA-N 356.378 2.456 0 40 FEAB C/C=C/Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12647441 LORXGUWCJITDMT-ONEGZZNKSA-N 356.451 2.334 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 48132331 XEEWYOYZJXJASU-HNNXBMFYSA-N 367.413 2.214 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2ccc(F)cc2F)CCN1Cc1ccccc1 58192982 WKZGLISBVQTOGS-OAHLLOKOSA-N 366.389 2.044 0 40 FEAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cnc2ccccn2c1=O 48237568 WRZRXWPCZCGHQI-GOSISDBHSA-N 362.433 2.261 0 40 FEAB O=C(NCCCNS(=O)(=O)c1ccccc1F)c1ccccc1F 58173432 GZIYEHMSUIWMDL-UHFFFAOYSA-N 354.378 2.063 0 40 FEAB O=C(CNC(=O)c1ccoc1)Nc1ccc(CCN2CCSCC2)cc1 58213134 PEMIRIZYYUOKDJ-UHFFFAOYSA-N 373.478 2.239 0 40 FEAB O=C(Cc1cccc(F)c1)NCCN[C@H](C(=O)NC1CC1)c1ccccc1 58218285 UBLRUUJBCZPDAB-FQEVSTJZSA-N 369.440 2.094 0 40 FEAB COc1ccccc1CC(=O)N1CCC(NC(=O)COC2CCCC2)CC1 58289577 LOFUEFKQSPFBOS-UHFFFAOYSA-N 374.481 2.304 0 40 FEAB Cc1noc(C)c1CCC(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 12795734 KKWYUSJDTUXDIP-UHFFFAOYSA-N 366.439 2.218 0 40 FEAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc(Cl)nn2)CC1 28095241 ZSRRMRPXOVAZRD-UHFFFAOYSA-N 356.817 2.283 0 40 FEAB COc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1OC 20153446 ISRRGEJXMSRQSJ-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCCC1 65251123 AHZFEJRRFAPVKB-UHFFFAOYSA-N 350.382 2.431 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(Cl)c1 3437114 HTNYZQYHGSLJRB-UHFFFAOYSA-N 363.801 2.320 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc2c(c1)OCCO2 3568145 RHTOOBIIUIMXPE-UHFFFAOYSA-N 354.362 2.348 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)cc1 9219353 GXJSFYCHCKOBEB-UHFFFAOYSA-N 365.389 2.199 0 40 FEAB Cc1nc(COC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n[nH]1 96006874 BILKPPQWVRWAHH-UHFFFAOYSA-N 370.266 2.209 0 40 FEAB CCOc1ccc(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1 14162397 YMDVIXUBNWSLGE-UHFFFAOYSA-N 352.442 2.084 0 40 FEAB Cc1cc(C)c(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(=O)[nH]1 14317719 CWHBZCGCFCQZQA-HNNXBMFYSA-N 353.422 2.199 0 40 FEAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCOCC3)n2)n1 9306477 KLVUTRWXCZMYRO-UHFFFAOYSA-N 352.236 2.187 0 40 FEAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)nc2)c1 14801191 KFQWWBCGJAVJNC-MRXNPFEDSA-N 355.438 2.310 0 40 FEAB Cc1ccc(NC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1C 6840142 HGOWCGYORATXNU-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccccc1Cl 5824555 IZOOWGSTKXOYKC-UHFFFAOYSA-N 368.842 2.268 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCCN2CCCC[C@H]12 96343827 AHAIRZAPYGTJAM-MAUKXSAKSA-N 368.481 2.236 0 40 FEAB biogenic CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 15913812 KFFYUKGJOXERJP-UHFFFAOYSA-N 374.528 2.080 0 40 FEAB CNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 7802611 LLRBONDRBBSVRR-UHFFFAOYSA-N 355.419 2.232 0 40 FEAB O=C(COC(=O)c1cccc(O)c1)Nc1cccc(N2CCCC2=O)c1 9513974 DFIFXDZILAOLOT-UHFFFAOYSA-N 354.362 2.315 0 40 FEAB CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccs1 69283344 WNPHGBOXTHKRIA-ZIAGYGMSSA-N 352.456 2.069 0 40 FEAB O=C(C1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1)N1CCOCC1 62274979 BIVAUZPZYSGZLN-IBGZPJMESA-N 356.466 2.278 0 40 FEAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)c1 306131566 KITAMLQVUAUCKQ-IAGOWNOFSA-N 365.481 2.091 0 40 FEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCN(Cc3cc(C)no3)CC2)cc1 32845128 QXHPUENWSAJDKZ-OAHLLOKOSA-N 370.453 2.330 0 40 FEAB CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)N2 521923922 SNDYDBFHSLMBMS-VQIMIIECSA-N 371.481 2.486 0 40 FEAB O=C(NCCOc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 38490247 KOLGGLVSMOFGCE-UHFFFAOYSA-N 350.777 2.291 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C)on1 25135859 CPEZLYWJDOPVON-GOSISDBHSA-N 354.410 2.170 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)C2(CO)CO)cc1 218450923 DDVMTRPHKLXDEF-IRXDYDNUSA-N 350.411 2.045 0 40 FEAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(F)cc1F 62021494 WCQKKBQVABBWKN-IBGZPJMESA-N 362.376 2.403 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)OCc2cccnc2Cl)[C@@H]1c1cnn(C)c1 78755967 LCYYABNQWRNXII-HIFRSBDPSA-N 362.817 2.121 0 40 FEAB COc1cccc(-c2cncc([C@H]3CCCN(CC(=O)N(C)C)C3)n2)c1 72359609 VAZXRYUUJUZYJB-INIZCTEOSA-N 354.454 2.420 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)n(C)c3ccccc23)sc1C 79480430 KGSDJWFESZVFIH-UHFFFAOYSA-N 357.391 2.342 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 40091866 ZFXKHZICNRBXBZ-QGZVFWFLSA-N 350.484 2.023 0 40 FEAB O=C(O)c1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 570093181 HGXHBRTWAOFXOU-UHFFFAOYSA-N 368.433 2.272 0 40 FEAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 225705231 DWBARXPJGBIRHJ-NSHDSACASA-N 356.469 2.101 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)nn1)N1CCCN(c2nccs2)CC1 329958061 QJIDJFIIKYCNJI-UHFFFAOYSA-N 372.376 2.696 0 40 FEAB COc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1OC 224351309 WNMWBFZHMVXDKT-UHFFFAOYSA-N 371.441 2.412 0 40 FEAB Cc1cccn2c(O)c(C(=O)NCCc3ccc(Cl)cc3)c(=O)nc12 226822402 QUFOQFCFAPSJGH-UHFFFAOYSA-N 357.797 2.334 0 40 FEAB CC(C)[C@@H](C(=O)O)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388226 CLZHGRVWEBQRMY-INIZCTEOSA-N 363.377 2.388 0 40 FEAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)[C@H]2CCCS2(=O)=O)cc1 574822266 CWCSNDPZIGNQAN-LSDHHAIUSA-N 367.467 2.193 0 40 FEAB Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 222603394 CHRXRXGVUKENSE-OAHLLOKOSA-N 370.540 2.016 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)n1 96057747 AWJRXZQWNKEHAE-BMGDILEWSA-N 366.421 2.043 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)Cc1cccs1)C2 96227012 CNYWDBXIBQYUKZ-LPHOPBHVSA-N 355.463 2.241 0 40 FEAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)c2cnccn2)cc1 96113234 XOISOGZXHSKRFK-SNVBAGLBSA-N 368.349 2.329 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(C)o1 96227005 YMSRPPNMUDQHND-FXAWDEMLSA-N 353.422 2.460 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96216092 FFYREKFTMDSDOQ-KRWDZBQOSA-N 353.488 2.072 0 40 FEAB CN(C)CC(=O)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206495 FJPFXJPQTXOAMJ-ICSRJNTNSA-N 353.466 2.482 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OCC)CC1 96305777 PMCWGDUPZWPYFP-UHFFFAOYSA-N 355.456 2.358 0 40 FEAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)CC1 583623081 MATSITZHFYNEHX-CYBMUJFWSA-N 368.380 2.201 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2 96157506 JJIMDCZIQDAKEM-UHFFFAOYSA-N 355.442 2.210 0 40 FEAB COc1cccc2c1ccn2CCC(=O)NCCc1nnc2ccccn12 95475981 PFNFSIGAORAASF-UHFFFAOYSA-N 363.421 2.442 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccnn2C)C3)cs1 248000477 AHWITMRTEUQVPT-CYBMUJFWSA-N 364.496 2.102 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242390294 AIYHUHUOFRKZPS-NUJGCVRESA-N 363.410 2.026 0 40 FEAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)COc1ccc(C)cc1)CC2 247881771 QCGKAOLNFSCLOL-SFHVURJKSA-N 374.481 2.107 0 40 FEAB O=C(CSc1nnc2ccccn12)N1CCN(Cc2ccccc2)CC1 25609074 KNDVJOPNZDZJQH-UHFFFAOYSA-N 367.478 2.166 0 40 FEAB O=C(CCN1CCCC1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257273533 NGZWUJYRBTUUFS-WMZOPIPTSA-N 350.434 2.042 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)s1 257222312 DSUUPEDPVVKQQX-RDJZCZTQSA-N 352.500 2.133 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)cn1 257321342 WBFQGQZUQKVEQC-KRWDZBQOSA-N 354.410 2.099 0 40 FEAB Cn1cncc1CN1CCC(c2nccnc2Nc2cnccn2)CC1 257242629 IDJUTFPCEJYEDC-UHFFFAOYSA-N 350.430 2.123 0 40 FEAB CCn1c(C)cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1C 618200866 CMNCLLIFYWGTQZ-LPHOPBHVSA-N 354.454 2.469 0 40 FEAB CC(C)CCN1CCC(CNC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)CC1 626757042 YJHDYJQDIAICQC-NVXWUHKLSA-N 353.507 2.497 0 40 FEAB O=C(O)[C@@H]1CC(=O)N(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 650773636 BKIVPOTUGGCPAY-SNVBAGLBSA-N 357.332 2.002 0 40 FEAB COc1cc(C)nc(N2CCN(Cc3ccccc3NC(C)=O)CC2)n1 678249789 MHJDVVOFZBKVFS-UHFFFAOYSA-N 355.442 2.074 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 585102844 KNFROBUDTLILHL-DENIHFKCSA-N 370.493 2.415 0 40 FEAB CC(C)Cn1nccc1C(=O)NC1(c2nc(C(C)C)no2)CCOCC1 585141708 FKAVGEBKYHLFTG-UHFFFAOYSA-N 361.446 2.481 0 40 FEAB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(C(=O)O)c1ccccc1 663141496 MOMIMAMBNLANIQ-SPYBWZPUSA-N 357.410 2.097 0 40 FEAB CCCCC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585095951 GIDQYIYWXQRHEY-INIZCTEOSA-N 360.483 2.377 0 40 FEAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@H]1C)C2 585106581 BXFGOWLIBMCFLK-VWKPWSFCSA-N 366.465 2.422 0 40 FEAB C[C@H](Cc1ccc(Br)cc1)NC(=O)CCN1CCOC1=O 55259731 PLUJUJQLYIUZTG-LLVKDONJSA-N 355.232 2.339 0 40 FEAB c1ccc(Cc2noc(CN3CCN(Cc4cscn4)CC3)n2)cc1 76513764 JXPMKFKQVOYVQV-UHFFFAOYSA-N 355.467 2.435 0 40 FEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 79102427 GLAWNHMRVCSFJK-GDBMZVCRSA-N 368.437 2.073 0 40 FEAB O=C(O)C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 91293095 DILOOAOACPEUGS-SECBINFHSA-N 362.607 2.418 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12336973 KAZWCTSPQMQJGS-HNNXBMFYSA-N 354.414 2.071 0 40 FEAB Cc1noc(N)c1C(=O)OCc1cc2c(cc1Br)OCO2 14129652 KADKGMKEAQCJHZ-UHFFFAOYSA-N 355.144 2.413 0 40 FEAB Cc1cccc(C)c1OCCOC(=O)c1csc(S(N)(=O)=O)c1 18388273 NJGMCDKNGGJVBL-UHFFFAOYSA-N 355.437 2.248 0 40 FEAB O=c1[nH]c(-c2ccccn2)nc2c1CN(Cc1cccc3nccnc13)CC2 19403179 ILCIKVXTWSOKIO-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)Cc3ccccn3)ccc21 19499165 MDRGJLINLHVCCH-AWEZNQCLSA-N 373.478 2.290 0 40 FEAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3c(OC)cccc3OC)C2)n1 19594300 DQGUCSOZQDSADR-AWEZNQCLSA-N 373.453 2.313 0 40 FEAB O=C(C1CCCC1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11694115 MNPAPADFRGLPES-UHFFFAOYSA-N 369.465 2.332 0 40 FEAB CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)CC[C@@]12CCCO2 257228229 FSXPFPJUROKFTR-QUCCMNQESA-N 372.469 2.090 0 40 FEAB CN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CN(CCN1CCCCC1)C2=O 35474864 VMQGAJYTRGHRNO-SFHVURJKSA-N 372.444 2.104 0 40 FEAB CCc1cc(N2CCN(c3cc(C)nc4ccnn34)CC2)nc(SC)n1 1888897732 UYAXCBXMEXFRMT-UHFFFAOYSA-N 369.498 2.439 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4c2cnn4C)C3)n1 1888904126 XMCIISJQVSPXCH-KUHUBIRLSA-N 365.441 2.147 0 40 FEAB O=C(COc1ccccc1F)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888944379 UIAHIJATAXSPDF-KRWDZBQOSA-N 355.369 2.240 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840626 OZDADOQSXFHXCP-HXUWFJFHSA-N 351.406 2.038 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)nc1 2037984515 DANGUDJVVBISRF-NRFANRHFSA-N 365.433 2.286 0 40 FEAB CC(=O)N1CCCCN(Cc2cnn(C)c2)CCOc2ccccc2C1 2037985367 HMNBOWXNBWWJMD-UHFFFAOYSA-N 356.470 2.443 0 40 FEAB O=C(c1cn[nH]c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087138889 PRSGMTRQAOWHBA-MFKMUULPSA-N 351.332 2.174 0 40 FEAB Cn1nc(COCC2CC2)c2c1CCN(C(=O)c1cc(C3CC3)on1)C2 1565556299 QVJJANDFWQCIKI-UHFFFAOYSA-N 356.426 2.411 0 40 FEAB O=C(NCC(=O)N1CC(Oc2nc3ccccc3s2)C1)c1ccccc1 206656969 HHQLCLJIZXGQMN-UHFFFAOYSA-N 367.430 2.316 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)NCc1n[nH]c(=O)c2ccccc12 44059457 REZUZFVLAYRENU-UHFFFAOYSA-N 365.418 2.409 0 40 FEAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ccncc2Cl)C1 585604903 LUFIIRZEVVJBBM-UHFFFAOYSA-N 353.813 2.490 0 40 FEAB CC(C)CNc1nc2c(c(O)nc(=O)n2C)n1CCCOc1ccccc1 23115366 LEGQAOVREQPYCJ-UHFFFAOYSA-N 371.441 2.373 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ccccc2)C1 40091959 MKJZKVNZIFNQBG-OAHLLOKOSA-N 370.540 2.347 0 40 FEAB COC(=O)c1ccc(CNC(=O)Cc2csc(-c3ncccn3)n2)cc1 40149090 OFOZYKKABKQBPV-UHFFFAOYSA-N 368.418 2.246 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)Cn1c(=O)cnc2ccccc21 40113690 LFOOCUZCPMRASW-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 40159633 YYWHOFVTGVAWMO-QZTJIDSGSA-N 369.465 2.090 0 40 FEAB NC(=O)[C@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 31679620 FYTGBSXLZHFBAV-KRWDZBQOSA-N 366.417 2.020 0 40 FEAB COc1ccc(CN2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101212695 VMSAHJGSAMXLGR-WBVHZDCISA-N 354.337 2.122 0 40 FEAB C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc21 33055982 QEXGFHBMDDBWER-CQSZACIVSA-N 358.463 2.271 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H]3COc4ccccc4C3)cnc12 53045190 DFRFTLFJPXPUPN-INIZCTEOSA-N 363.417 2.215 0 40 FEAB CC[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(C)cc1 8993902 UCGFMNVLAJDRHE-INIZCTEOSA-N 351.406 2.266 0 40 FEAB COc1ccccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 861983 BNGMPKADJORIID-DOTOQJQBSA-N 370.405 2.406 0 40 FEAB biogenic C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(N2CCOC2=O)cc1 103839196 PXHLPOIISGIWFH-VSICPBCXSA-N 370.405 2.343 0 40 FEAB O=C(NCC(=O)N1CCC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 22737820 DOUSCRKZOUXDTQ-INIZCTEOSA-N 354.406 2.192 0 40 FEAB CCOC(=O)C(=O)NN1C(=O)C=C(c2ccccc2)O[C@@H]1c1ccccc1 3050689 VTMLFUWPKWTPPS-LJQANCHMSA-N 366.373 2.179 0 40 FEAB COc1ccc(CCNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 3391150 QJWYIYWRVVIZMB-UHFFFAOYSA-N 371.466 2.201 0 40 FEAB Cc1c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)[nH]c2c1C(=O)CCC2 54016097 DVCFMQCJVGXQLC-CYBMUJFWSA-N 353.426 2.031 0 40 FEAB Cn1/c(=N\C(=O)[C@H]2CCCN(c3cnccn3)C2)sc2ccccc21 104480843 UPWLXYNQXNRJAG-OADOCSNJSA-N 353.451 2.374 0 40 FEAB COc1ccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 6589326 BQRJOGPMEXXJKA-HXUWFJFHSA-N 368.389 2.304 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 23381514 VAZJYJUISBMXJC-UZLBHIALSA-N 356.470 2.267 0 40 FEAB Cc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)ccn1 23310813 ZYVRSHOKZCEWLS-UHFFFAOYSA-N 358.515 2.372 0 40 FEAB C[C@@H](Cn1cccn1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 24807585 BNEPXMOAHPSIRI-HNNXBMFYSA-N 373.416 2.401 0 40 FEAB CC(C)(C)c1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 24839859 VCODIBAGNDJETQ-UHFFFAOYSA-N 374.418 2.282 0 40 FEAB CC(=O)N1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 3255582 COLHRPSWIDGKBR-UHFFFAOYSA-N 364.496 2.091 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1F)NCCC1=CCCCC1 3276450 FPHBDLIHIITJLF-UHFFFAOYSA-N 362.401 2.105 0 40 FEAB aggregator O=C(c1cnn2cccnc12)N1CCN(Cc2c(F)cccc2Cl)CC1 43523447 XLDAQMKUIHTWHR-UHFFFAOYSA-N 373.819 2.480 0 40 FEAB O=C(NCCc1cccc(Cl)c1)[C@@H](Cc1ccccc1)n1cnnn1 25921023 OPSSDNQQXSNVIZ-QGZVFWFLSA-N 355.829 2.469 0 40 FEAB Cc1nc([C@H]2CN(C(=O)c3cccc(Nc4cnccn4)c3)CCO2)no1 95468223 CFTDEMXQRABUHX-OAHLLOKOSA-N 366.381 2.125 0 40 FEAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2ccnc2)c1 95417394 GAQNKXNYRFFOFZ-QGZVFWFLSA-N 352.438 2.393 0 40 FEAB CN1CCN(c2cc(CNC(=O)NCCc3cccc(F)c3)ccn2)CC1 48201348 HZKSTYHOLPWIOC-UHFFFAOYSA-N 371.460 2.014 0 40 FEAB CC(C)C(NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C(C)C 22526018 RZKXTVGHEMUUDZ-UHFFFAOYSA-N 373.494 2.235 0 40 FEAB Cc1cc(C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)on1 100137362 APIBSKFODQSMME-UHFFFAOYSA-N 355.398 2.368 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N1CCc2ccccc2C1 58358207 BMEMXZYQBKRAIM-QGZVFWFLSA-N 374.462 2.061 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)c4ccnn4C)C3)nn2c1O 100138431 YUVNKBUBCNKJRQ-CYBMUJFWSA-N 368.441 2.059 0 40 FEAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 53163237 TXPMJLDBVKEADD-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566117 FWSJTDXYLKMNLW-UHFFFAOYSA-N 374.890 2.290 0 40 FEAB CCN(c1ccc(OCC(=O)N2CCCCCC2)cc1)S(C)(=O)=O 10010031 MLGHZBLPQTXLQD-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 10041944 XHRJHUAKVDEBIR-LBPRGKRZSA-N 355.822 2.356 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 3548331 UOKBYUSUUFPPDM-ZDUSSCGKSA-N 351.366 2.155 0 40 FEAB C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc2c(c1)NC(=O)CO2 13003365 SPOHJFPFHZSOJJ-JTQLQIEISA-N 354.391 2.424 0 40 FEAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 5267297 GXLCRFQFQCKNKP-CQSZACIVSA-N 352.350 2.110 0 40 FEAB C[C@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H](c2ccccc2)O1 65474330 BTPQGMZRILNRJQ-KBXCAEBGSA-N 354.406 2.153 0 40 FEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccnc1S 14080781 ZAKCFBXQXYMZGS-MRXNPFEDSA-N 361.442 2.313 0 40 FEAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 14097494 QNMVADUUCYNAEX-UHFFFAOYSA-N 367.448 2.484 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCn2cccc2[C@@H]1C 14111104 SGPDMJQSIDPXPU-ZDUSSCGKSA-N 356.426 2.470 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1Cl 4512372 QDSLCHJCYYXTEW-SJLSKNIFSA-N 363.797 2.328 0 40 FEAB COc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 14244699 KZCZXMDZUNKHFO-OAHLLOKOSA-N 367.467 2.032 0 40 FEAB COc1ccc(OCCN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 9337405 SJNLIKKAJJQPLG-UHFFFAOYSA-N 358.394 2.373 0 40 FEAB CCOc1ccc([C@H]2NC(=O)NC(CN3CCCCC3)=C2C(=O)OC)cc1 67287144 CBDPCCHMWZJUHU-GOSISDBHSA-N 373.453 2.352 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16015906 PVGBXASYUKTFDJ-QGZVFWFLSA-N 365.433 2.076 0 40 FEAB CCCCCNC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 9594874 ZOJFRWFJNJADPT-FQEVSTJZSA-N 357.454 2.467 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CC1 8034961 MFQXOWXTIISVNT-UHFFFAOYSA-N 372.446 2.339 0 40 FEAB COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 17740190 KZXMCTZQHUOALD-IBGZPJMESA-N 370.449 2.035 0 40 FEAB C[C@@H](C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)N1C(=O)CCC1=O 69962647 IVROGSPAYZCCON-HZMBPMFUSA-N 366.364 2.319 0 40 FEAB CSc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3cccnc3)CC2=O)cc1 83992886 PTXCTEPOQAJYHZ-YOEHRIQHSA-N 371.462 2.006 0 40 FEAB O=C(O)c1nccnc1C(=O)NCCNc1ccnc2cc(Cl)ccc12 72406368 BLLNDQXLGYSLHY-UHFFFAOYSA-N 371.784 2.218 0 40 FEAB COC(=O)C(=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)OC 409063589 CTYQQPCVQJQYIO-UHFFFAOYSA-N 363.149 2.186 0 40 FEAB O=C(/C=C/c1ccc(Br)cc1)NCCN1C(=O)CCCC1=O 73122371 YZEWAPOKIZOZCL-RMKNXTFCSA-N 365.227 2.118 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)N1CCOC[C@@H]1c1nc[nH]n1 560516984 VIQVURGCYRZKJD-OAHLLOKOSA-N 355.398 2.185 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2F)Oc2ccccc21 38849274 FUNHEESZAKZIOZ-MRXNPFEDSA-N 364.398 2.382 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 32643034 OQXLJJGZJDIEQD-UHFFFAOYSA-N 365.842 2.009 0 40 FEAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(N)=O)CCCC2 222585365 RKFXDIUVDRNACI-UHFFFAOYSA-N 360.435 2.474 0 40 FEAB Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cnn1 329804722 MGMHUQIMKYAOLT-UHFFFAOYSA-N 358.829 2.427 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CC(n2cc(-c3ccccc3)nn2)C1 225661739 YBAIZODQCYJILH-IBGZPJMESA-N 362.389 2.168 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccccc2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109465 ZFDGZQSOKNIIEA-ZCNNSNEGSA-N 351.450 2.443 0 40 FEAB Cc1ccsc1C(=O)N1CCc2nc(N3CCOCC3)nc(C)c2CC1 96254799 ZEOGHLKYGLHSHY-UHFFFAOYSA-N 372.494 2.233 0 40 FEAB O=C(c1ccnnc1)N1CCOC[C@H]1c1csc(NCC2CCC2)n1 96220664 LSLJPKLPXQXKBQ-HNNXBMFYSA-N 359.455 2.359 0 40 FEAB Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3cccnc3)CC2)cn1 96218024 VZTSCJAGKMPQRA-FQEVSTJZSA-N 353.470 2.362 0 40 FEAB O=C(NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn21)c1ccco1 247471411 FLBYPHHODZRLDE-INIZCTEOSA-N 358.442 2.080 0 40 FEAB Cc1ccc(C(=O)N2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)cc1F 248087737 FRBJZPHQHHYLMB-INIZCTEOSA-N 362.445 2.088 0 40 FEAB C[C@@H]1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591472 NSQRJEPTZZZMLB-CQSZACIVSA-N 368.437 2.425 0 40 FEAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257336396 YOFLPAYXYITHGB-AWEZNQCLSA-N 352.394 2.168 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OCc2ccncc2)cc1 643763070 RNPPGKLUMUTURJ-HXUWFJFHSA-N 355.438 2.127 0 40 FEAB CC(C)c1ccoc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 670764800 KQZXJGRGXJMWQC-UHFFFAOYSA-N 354.414 2.042 0 40 FEAB CO[C@H](CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C)c1ccccc1 1775959620 KXJGDDQCARTLLO-UXLLHSPISA-N 357.410 2.172 0 40 FEAB COCCc1cnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@@H]2C 585098633 VWPGGKJCDUPFMF-CYBMUJFWSA-N 353.426 2.176 0 40 FEAB CC(C)NC(=O)CN1C(=O)CC[C@@]12CCCN(Cc1nccs1)CC2 585100688 SWIMKMUQJNTYJU-GOSISDBHSA-N 364.515 2.015 0 40 FEAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccc(Cl)cc1F 55601891 DECWJRZQIPUDQF-UHFFFAOYSA-N 353.766 2.256 0 40 FEAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5400411 PHHKYEBHDQONLR-GFCCVEGCSA-N 365.389 2.380 0 40 FEAB O=C(COC(=O)c1cccc(O)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2 5755008 XFEQXCOXGDIBJT-UHFFFAOYSA-N 372.421 2.344 0 40 FEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnc(C)cn1 12276258 BNYKQWAVERKBCL-CYBMUJFWSA-N 369.450 2.279 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)c1ccnn1C)CC1(CCN(C)CC1)O2 12365223 OEAZKXDGAHICHJ-UHFFFAOYSA-N 354.454 2.228 0 40 FEAB COc1cccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 13041871 DEARRWNOJOZVQB-FQEVSTJZSA-N 366.373 2.108 0 40 FEAB O=C(Cc1ccccn1)N1CCC(O)(Cn2ncc3ccccc32)CC1 19376579 BAMIIQOEOBEVRJ-UHFFFAOYSA-N 350.422 2.028 0 40 FEAB CCC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)C)CC3 19498782 XTPQIXYVJLHWLE-INIZCTEOSA-N 357.458 2.275 0 40 FEAB CCOC1CCN(C(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)CC1 19749407 KKWIBOGAWOMAHV-UHFFFAOYSA-N 374.416 2.302 0 40 FEAB CCOC(=O)c1nc(N(C)CCN2CCCC2=O)ccc1Br 603291146 JGTVXAAHFQPCFJ-UHFFFAOYSA-N 370.247 2.079 0 40 FEAB COc1ccccc1C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 22765566 DEMAVGPJNDWOMW-KRWDZBQOSA-N 359.495 2.475 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCC(F)(F)CC2)cc1 575608991 XFGUSOQQQNVZGV-UHFFFAOYSA-N 372.393 2.196 0 40 FEAB CCc1cc(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)nc(C(C)(C)C)n1 1888859256 DZZNRVDMXJORCN-QGZVFWFLSA-N 373.545 2.468 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)Cc2cccnc2)C3)nc1 1888867037 AZZPKBIHVGWNOB-YLJYHZDGSA-N 352.438 2.430 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)nc(O)c1F 1888904265 QHVSQZGEOWDNID-BETUJISGSA-N 368.416 2.089 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1nnc(-c2ccccc2)n1 22057203 RSEBRYIIJHZNTH-UHFFFAOYSA-N 373.420 2.184 0 40 FEAB CS(=O)(=O)N1CCC(NCc2ccc(F)c(Br)c2)CC1 30656457 TVPRFQJIFCAZHT-UHFFFAOYSA-N 365.268 2.102 0 40 FEAB Cc1cc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)n2nc(C)cc2n1 2087038301 UNCVVOPXKVBIRD-GJZGRUSLSA-N 352.417 2.453 0 40 FEAB COc1ccc(C(=O)N2CCc3c(CN(C)C)cncc3C2)c(OC)c1 1565551999 NCPQOCLNPWAHJX-UHFFFAOYSA-N 355.438 2.359 0 40 FEAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954696 OOYUVRYSVQWKDD-UHFFFAOYSA-N 373.434 2.044 0 40 FEAB CCCNC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 9628093 PKEYBQWSELFKNB-UHFFFAOYSA-N 363.439 2.481 0 40 FEAB COC[C@H]1CN(C(=O)c2cccc(Cl)n2)Cc2nnn(CC3CC3)c21 2055750784 XWCUTLORFFRJJW-GFCCVEGCSA-N 361.833 2.123 0 40 FEAB COc1ccc(CC(=O)N[C@@H]2CCc3onc(CN4CCCC4)c3C2)cc1 2055739052 JSFKUTNLQLDVTN-MRXNPFEDSA-N 369.465 2.495 0 40 FEAB CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@@H]1CCc2ccccc21 30792977 DBWLHXOTWPNYIV-RTBURBONSA-N 362.433 2.253 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccnc1)CC(O)=N2 40288141 OFLDECPDGVOMIS-CYBMUJFWSA-N 360.381 2.445 0 40 FEAB NC(=O)C1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 20722307 CLMLXGWDKSTUIU-UHFFFAOYSA-N 364.243 2.128 0 40 FEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cccc(Oc2ncccn2)c1 101720252 XUSJSYXGMPGIFX-CYBMUJFWSA-N 351.362 2.462 0 40 FEAB Cc1ccc(OCCN(C)C(=O)c2ccc(N3CCOCC3)nc2)cc1 32882008 PDZLSGXPUCIULN-UHFFFAOYSA-N 355.438 2.378 0 40 FEAB COc1ccc(OC)c(CNC(=O)CCc2nc(-c3cccnc3)no2)c1 32824750 SERPOVXQNIXYMM-UHFFFAOYSA-N 368.393 2.398 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cccs2)cc1 21874050 MUDCSCWSZVQURV-UHFFFAOYSA-N 359.451 2.062 0 40 FEAB O=C(CN1CCN(C(=O)Nc2cccnc2)CC1)Nc1ccc(F)cc1 53251249 OLXDZRAJOLTCMW-UHFFFAOYSA-N 357.389 2.009 0 40 FEAB C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 76315155 ZAWOCLRDIHBKBO-STQMWFEESA-N 359.513 2.180 0 40 FEAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccccc1 12374121 MIZIVAPRVWQFTN-UHFFFAOYSA-N 365.437 2.162 0 40 FEAB O=C(NCc1ccco1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1 4544742 ATNQUSLOURRREF-YMFAHRSGSA-N 370.449 2.486 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccccc2F)C1=O 4788056 OCIPKTSJTFLSIZ-IBGZPJMESA-N 370.336 2.204 0 40 FEAB COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)[C@H]1CSC(=O)C1 4898554 UOZWJLOCHMBJTH-GFCCVEGCSA-N 364.467 2.223 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 6962893 OQRZPOCRTDYTRS-CQSZACIVSA-N 356.488 2.402 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c(OC)c(OC)c1 7553310 LTRKWSCXHNNHIO-GFCCVEGCSA-N 356.831 2.323 0 40 FEAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(C[C@H]3CCCO3)cc2n(C)c1=O 12409812 VFAPCFDYFCSTGY-CQSZACIVSA-N 357.385 2.024 0 40 FEAB Cc1sc2nc(-c3cccnc3)nc(N3CCN(CCO)CC3)c2c1C 23883311 PUJFFEXHJYBMDD-UHFFFAOYSA-N 369.494 2.484 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 22682200 SJYQRMIGEHMXFD-PKOBYXMFSA-N 352.434 2.057 0 40 FEAB COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1ccccc1 12599282 GUKJVLQQLMKSQQ-OCCSQVGLSA-N 360.435 2.287 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 57024538 WIIGESJLIPESNA-INIZCTEOSA-N 373.478 2.020 0 40 FEAB Cc1ccc(OC[C@H](C)NC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 58377649 PKQKTPNDNUVMAN-GJZGRUSLSA-N 359.426 2.359 0 40 FEAB C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58298834 YAMCZMNOHHBNLT-IEBWSBKVSA-N 355.486 2.483 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(CCN2CCOCC2)CC1 58202597 IOZHFRDKXHTGCF-UHFFFAOYSA-N 361.442 2.382 0 40 FEAB CN(C)S(=O)(=O)c1ccc(COc2ccc(NC(=O)C3CC3)cc2)o1 36366625 SSAQSYSCGOWALA-UHFFFAOYSA-N 364.423 2.457 0 40 FEAB COCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2343194 YMLXXJKKFPDOAH-SNVBAGLBSA-N 359.455 2.230 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1 12886569 VJOINOAIDQJFCA-UHFFFAOYSA-N 367.449 2.157 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O 11519126 NCNDFBFMBXUIFW-UHFFFAOYSA-N 360.826 2.495 0 40 FEAB O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccccc1OC(F)F 97163876 HMLBOXHZKRXUDV-CYBMUJFWSA-N 357.378 2.170 0 40 FEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 2534744 MIJFXBFESOOEMP-UHFFFAOYSA-N 360.313 2.485 0 40 FEAB COC(=O)c1c(NC(=O)Cn2ccccc2=O)sc2c1CC[C@H](C)C2 12938594 PNOHFISRWIBWNC-NSHDSACASA-N 360.435 2.460 0 40 FEAB CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20290899 SSEAPTVZZBUDFT-FOCLMDBBSA-N 356.426 2.246 0 40 FEAB COc1ccc(-c2nc(N)n(C(=O)c3ccc(OC)c(OC)c3)n2)cc1 3635174 NXCZAKFDRORTKW-UHFFFAOYSA-N 354.366 2.242 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1 49538509 OJOVYKHIXCPHFT-OAHLLOKOSA-N 374.485 2.061 0 40 FEAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(F)cc1 9227418 MGDDHMOWUUMDFL-UHFFFAOYSA-N 356.463 2.426 0 40 FEAB Cn1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 306123662 ATHBYGPGNSNRLD-QGZVFWFLSA-N 365.485 2.443 0 40 FEAB C[C@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@@H](C)O1 6598743 HJFDSTNLZRCRPS-WDMOLILDSA-N 367.243 2.190 0 40 FEAB O=C(OC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 14464670 QOTHAYNNCGPZDV-UHFFFAOYSA-N 371.430 2.336 0 40 FEAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2C(=O)CCC3)cc1 9341762 AXUYJQVAEJCDKF-UHFFFAOYSA-N 367.453 2.500 0 40 FEAB COc1ccc(CSc2nnc(NCc3ccccc3)c(=O)n2N)cc1 28536141 HZCJWEHZVOAEKO-UHFFFAOYSA-N 369.450 2.265 0 40 FEAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1cccc(S(C)(=O)=O)c1 4770488 UBROCQQHKGHPST-IUODEOHRSA-N 367.471 2.049 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCCC2)cc1 9742506 XXXHUCYGHWTTFY-OAHLLOKOSA-N 350.488 2.405 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 6880285 WGPFZYMZHRCULE-UHFFFAOYSA-N 352.316 2.338 0 40 FEAB CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[C@@H](CN)C1 97228994 DTIOEVOVJUCVNF-HNNXBMFYSA-N 363.383 2.486 0 40 FEAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCOCC1 15630283 ZDFQUCSJKOMQIH-UHFFFAOYSA-N 361.448 2.045 0 40 FEAB CCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)n[nH]c1=O 7344866 CLOZABFJZJHMDZ-UHFFFAOYSA-N 350.444 2.494 0 40 FEAB Cc1nnc(-n2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)[nH]1 19818823 VEPPUNICAKKTHZ-UHFFFAOYSA-N 357.377 2.435 0 40 FEAB CN(CCOc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 9512551 PBTFHVUJJXIPGC-UHFFFAOYSA-N 363.417 2.443 0 40 FEAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 8325391 NTDHVWCQQICANX-UHFFFAOYSA-N 350.396 2.129 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccnc4)no3)C2=O)cc1 8707144 GSCOANHYUFNLIO-LJQANCHMSA-N 363.377 2.407 0 40 FEAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1C 95958320 FUSSFYVUDZGYCL-UHFFFAOYSA-N 356.426 2.110 0 40 FEAB Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(C)C2 69779232 SQUSQGKLIVWXRS-UHFFFAOYSA-N 361.449 2.494 0 40 FEAB COc1ccc2occ([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(=O)c2c1 524730339 FZZHBNLRMHAIAE-LBPRGKRZSA-N 367.357 2.250 0 40 FEAB biogenic Cc1sc(-n2cnnn2)c(C(=O)NCCc2nc3ccccc3[nH]2)c1C 524732867 VVLUSVXWTSMTKN-UHFFFAOYSA-N 367.438 2.189 0 40 FEAB COCCn1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)c2ccccc2c1=O 72401924 RZRMHVHDWPZOHK-UHFFFAOYSA-N 362.389 2.198 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCCC1 224755357 ZVCOZNNVROIZFW-INIZCTEOSA-N 354.472 2.252 0 40 FEAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)[nH]1 223163550 HYLRDCCUTCLVBQ-ZWKOTPCHSA-N 371.510 2.023 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 48311043 RLDWIYHFCSVJDX-HNNXBMFYSA-N 354.422 2.118 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSC2CCCC2)c1 46450216 MWEMPCNUKQUAOZ-UHFFFAOYSA-N 356.513 2.343 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96237751 WKBJJXHKCPYYFW-OAQYLSRUSA-N 367.424 2.389 0 40 FEAB C/C(=C\C(=O)NC1CCN(CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 96402562 TYTQUXXKAVCLLE-ZRDIBKRKSA-N 369.387 2.175 0 40 FEAB O=C(Cc1ccsc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259579 NUMFMZWFWFEJDY-UHFFFAOYSA-N 359.499 2.301 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CCn3c(=O)oc4ccccc43)C2=O)cc1 26006616 YOSRHBLENUVBPF-HXUWFJFHSA-N 365.389 2.370 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C[C@@H](O)C1(C)C 257232086 GJISECNTSNTGPT-QGZVFWFLSA-N 359.470 2.004 0 40 FEAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)[C@H]1CCc2ncncc2C1 649246538 LYXRHCFAGHQJLC-ZUZCIYMTSA-N 363.776 2.316 0 40 FEAB Cc1cccc([C@H](C)CNC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 585088679 VOSIUDVEANHHSG-OXQOHEQNSA-N 361.486 2.113 0 40 FEAB CCOCCOc1ccc(CNC[C@]2(O)CCN(c3ccccn3)C2)cc1 585270530 LTYXXXHNSTVGRX-OAQYLSRUSA-N 371.481 2.228 0 40 FEAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 81454537 GCOKYFOEJWYMKV-DJIMGWMZSA-N 372.469 2.262 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)c2csc(-c3cccs3)n2)n1 11273258 COCSSYQDZLLWRA-UHFFFAOYSA-N 362.440 2.062 0 40 FEAB COCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)CCC3 13639447 CXNGNGHDDKUBJO-UHFFFAOYSA-N 368.393 2.474 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 19018568 GPEAIUIJPWTYSD-GOSISDBHSA-N 368.412 2.498 0 40 FEAB COc1c(C)cccc1CN1CCN(c2ncc3c(n2)CCOC3)CC1 19235992 GKKPYCGXURQQPZ-UHFFFAOYSA-N 354.454 2.189 0 40 FEAB Cc1cn(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)nn1 19238762 IQUBHYLOVGBPDS-SFHLNBCPSA-N 367.497 2.456 0 40 FEAB Cc1nc(C[C@@H](NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1 19285389 CJQLRWRHFVEAAP-QGZVFWFLSA-N 352.369 2.326 0 40 FEAB O=C1CCOC[C@]2(CN(Cc3ccccn3)C[C@H]2c2ccc(F)c(F)c2)N1 19401901 AZTSCVNLWWNVSL-JXFKEZNVSA-N 373.403 2.235 0 40 FEAB COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc(OC)c1 3591042 NKSQZFYKUFFDDY-UHFFFAOYSA-N 358.181 2.206 0 40 FEAB Cc1cc(C(=O)N2CCc3c(cccc3C(=O)O)C2)c2c(C)nn(C)c2n1 621578233 FSSJMKGTFIYEHA-UHFFFAOYSA-N 364.405 2.482 0 40 FEAB O=C(c1cccnc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574961 FQZQFNYMHMMXTR-RBUKOAKNSA-N 370.449 2.051 0 40 FEAB CCCS(=O)(=O)NC1CCN(Cc2cc(C(=O)O)ccc2Cl)CC1 581434751 KOTVZCJYKIRMTR-UHFFFAOYSA-N 374.890 2.332 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)-c1ccccc1OC2 4495020 HPTZUNZGXATERZ-VIFPVBQESA-N 360.391 2.308 0 40 FEAB Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 4894322 DTESHUSPHXSVKJ-UHFFFAOYSA-N 350.469 2.414 0 40 FEAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417115 SKIDMGUVFZORRY-CQSZACIVSA-N 352.822 2.098 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(C)s1 7192616 UZXHJKFQEBRXRG-UHFFFAOYSA-N 359.454 2.356 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1ncccc1F)C2 2037873457 LSMUXPUFMAHNNN-SVFBPWRDSA-N 369.440 2.425 0 40 FEAB O=C(CNC(=O)c1cccnc1O[C@H]1CCSC1)OCc1ccccc1 252494326 NSCKNMCSTFMNSD-HNNXBMFYSA-N 372.446 2.439 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 1565550352 ZZMRQKHRPOBERF-UHFFFAOYSA-N 356.470 2.050 0 40 FEAB CCCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 12347051 ZLDSTQHFEZDKRL-MAUKXSAKSA-N 371.437 2.105 0 40 FEAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1ccc(Cl)cc1)CC2 2055731573 GOEGKABXJXHCAN-CYBMUJFWSA-N 369.874 2.024 0 40 FEAB Cc1cc(CN2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)n(C)n1 2055751262 BBNYRWODPUMRAB-HXUWFJFHSA-N 355.486 2.263 0 40 FEAB CC(=O)c1cccc(NC(=O)Cn2c(C)nc(-c3ccccn3)cc2=O)c1 49404772 FDAVTVAEGZITQD-UHFFFAOYSA-N 362.389 2.455 0 40 FEAB CCOC(=O)N1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 20502746 ABEZMYCAMQCYLO-UHFFFAOYSA-N 366.801 2.426 0 40 FEAB biogenic Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cncn2)cc1 29201555 FQMBERYWIWYXPE-UHFFFAOYSA-N 356.407 2.232 0 40 FEAB COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(C)=O)C2=O)cc1 100058342 KHOCBMTXWRBCCR-LJQANCHMSA-N 366.417 2.418 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CNCC4)C1 100003389 JGVNIQUKMCURKK-GFCCVEGCSA-N 373.457 2.195 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nc(N2CCCC2)ncc1Cl 40141725 LGQAXJFIHBUXAR-GFCCVEGCSA-N 354.838 2.048 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCNC(=O)Nc1ccccc1 40159602 LGOOFUAKIMWGHB-INIZCTEOSA-N 369.421 2.497 0 40 FEAB Cc1ccc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 20102856 XIWOGASIEDRBKW-UHFFFAOYSA-N 359.514 2.046 0 40 FEAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)c(OC)c1)CC2=O 20635429 QPWDGVYPLJFOTC-LBPRGKRZSA-N 371.389 2.482 0 40 FEAB CCOC(=O)N1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 22010331 ZLCADXQNJWDUFF-CYBMUJFWSA-N 371.445 2.033 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccc(F)cc2)[nH]n1 47122432 HCVHAPPMJIGPNC-UHFFFAOYSA-N 363.356 2.122 0 40 FEAB CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2-c2ccccc2)C1=O 787153 XUTQNNVXBRNGBH-OAHLLOKOSA-N 354.406 2.424 0 40 FEAB C[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)Cn1ncn2nccc2c1=O 79061288 RPTDMHISPLWHBZ-HOCLYGCPSA-N 351.410 2.033 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O 4999895 KDXCXJINOUJHOC-UHFFFAOYSA-N 355.369 2.269 0 40 FEAB COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 22929514 RXXVBCFPALIPSQ-UHFFFAOYSA-N 369.465 2.460 0 40 FEAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 7126558 DUMAPIXALHDQCP-LJQANCHMSA-N 370.409 2.341 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 810396 AKSLIYNKJYZMHJ-LBPRGKRZSA-N 354.362 2.416 0 40 FEAB COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1 10338436 RIYBHLNYTCVIBC-AWEZNQCLSA-N 352.438 2.150 0 40 FEAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 519749084 AOCDRCSCMYNMKI-LBPRGKRZSA-N 370.388 2.163 0 40 FEAB C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c(Cl)cccc1Cl 55280419 BKJYYYGXBMIHFF-VIFPVBQESA-N 351.255 2.283 0 40 FEAB Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1 34600373 YOPFAMROKXHVCQ-UHFFFAOYSA-N 358.419 2.424 0 40 FEAB investigational O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2O)CC1 3247750 ZMTLSZQVLWUMAK-UHFFFAOYSA-N 350.374 2.461 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1 12606063 BZTDSCFPCYGUSA-UHFFFAOYSA-N 361.301 2.104 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)CNC(=O)c1cc(F)cc(F)c1 57154574 VSKVWBHUVKZCEB-UHFFFAOYSA-N 358.348 2.230 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)O)c12 26421268 KCKXKVJUYWGMOC-JTQLQIEISA-N 361.379 2.058 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N(C)C2CCCCC2)c1=O 57477517 OSGGMWQSJMIDLY-UHFFFAOYSA-N 357.454 2.364 0 40 FEAB CN(C)CCCNC(=O)c1cccnc1NC1CC(C)(C)NC(C)(C)C1 12736713 YGFOXJFEGNEFPY-UHFFFAOYSA-N 361.534 2.484 0 40 FEAB COCCCNC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1Cl 58003868 NCZVEPCCWMDMND-UHFFFAOYSA-N 364.877 2.419 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccc2ccccc2c1 12794724 HRDFFDAMNPSELU-CXAGYDPISA-N 351.406 2.444 0 40 FEAB CCN(CC)c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cn1 58171745 JSIPUWCXASNNAB-UHFFFAOYSA-N 364.453 2.498 0 40 FEAB CCOC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2C)CC1 58218633 MEUWFKNMIWDZEB-UHFFFAOYSA-N 366.483 2.311 0 40 FEAB O=C(CNC(=O)c1ccoc1)NC[C@H]1CCCCN1Cc1ccccc1 58202386 WOJBGKFERDWPEJ-GOSISDBHSA-N 355.438 2.180 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)N1CCc2sccc2C1)C(F)(F)F 48332129 XDAHQSNUBMPVBH-CQSZACIVSA-N 359.373 2.207 0 40 FEAB CCOC(=O)c1ccsc1NC(=O)Cn1cnc2ccccc2c1=O 10946343 GZXPPPHQMVKMMT-UHFFFAOYSA-N 357.391 2.273 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 10958630 IHESFTOFMFJOGV-AWEZNQCLSA-N 363.439 2.331 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 45821219 LEWOZDUSGKCEJF-GFOFROLCSA-N 354.406 2.384 0 40 FEAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NC(C)C)c1C 3536570 DVLOVELZZFRUOI-UHFFFAOYSA-N 357.410 2.497 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)N[C@H]1CCSc2ccccc21 12903733 UABWPSJBETWIEE-HNNXBMFYSA-N 367.430 2.455 0 40 FEAB C[C@@H]1C[C@H](N2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)C(=O)O1 13109873 MBKZYWBQLOUXQK-FNXXIHLHSA-N 364.401 2.380 0 40 FEAB Nc1c(Cl)cccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 9077002 NIQYBSARBPOBSN-UHFFFAOYSA-N 362.769 2.124 0 40 FEAB CCOC(=O)c1c(C)oc2nc(CSc3nnc(C)n3C)nc(N)c12 9157518 PNHCLCSDAMDOOV-UHFFFAOYSA-N 362.415 2.019 0 40 FEAB Cc1nc(C(=O)Nc2cccc(S(C)(=O)=O)c2)nn1-c1ccc(F)cc1 14197927 MSAREUHEUBKHKA-UHFFFAOYSA-N 374.397 2.371 0 40 FEAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1C 14116892 IMOOVLUKUCNHGM-QGZVFWFLSA-N 353.422 2.471 0 40 FEAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 14245384 URLDNWKHAFTNEQ-UHFFFAOYSA-N 374.871 2.391 0 40 FEAB O=C(COc1ccc(Cl)c2ccccc12)N[C@@H]1CCS(=O)(=O)C1 6642952 OXQCIQPACSGVEK-LLVKDONJSA-N 353.827 2.175 0 40 FEAB O=C1c2ccccc2C(=O)N1CCc1nn2c(C(F)(F)F)nnc2s1 19772708 UEKOLXXTJHPMPF-UHFFFAOYSA-N 367.312 2.043 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 9364091 QEIVHGJESYYXHS-GXFFZTMASA-N 350.440 2.437 0 40 FEAB CCN1C(=O)/C(=N\NC(=O)CNc2cccc(OC)c2)c2cc(C)ccc21 15514304 JKTGJJHXVBERFL-NMWGTECJSA-N 366.421 2.303 0 40 FEAB COc1ccc(CN(C(=O)CSc2nnc(N)s2)C2CC2)cc1 8066743 GVLAPVPDWROQMF-UHFFFAOYSA-N 350.469 2.412 0 40 FEAB COc1ccc(C)cc1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 8124159 VVACVVBEXYRDQR-UHFFFAOYSA-N 362.451 2.449 0 40 FEAB O=c1nc2s/c(=C/C=C/c3ccccc3)c(=O)n2nc1Cc1ccccc1 16732071 OYIPALLUGLJOCJ-NTIJCTKGSA-N 373.437 2.315 0 40 FEAB O=C1CCSc2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2N1 8229669 KPLDXPMCUMGFPZ-UHFFFAOYSA-N 366.406 2.349 0 40 FEAB O=C(c1cccc(Br)c1)N1CCN(CCn2cccn2)CC1 62021974 KCZOCEXXJFQLCE-UHFFFAOYSA-N 363.259 2.104 0 40 FEAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 84600217 TVCMHFYLKOFSIZ-UHFFFAOYSA-N 361.304 2.489 0 40 FEAB CC(C)(C)OC(=O)NCCN1CCN(c2ncnc3ccsc23)CC1 95414116 QHNZNIJBGNCJCM-UHFFFAOYSA-N 363.487 2.338 0 40 FEAB CCC[C@](C)(O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 89949429 MHOIVBKPYWQZFL-FQEVSTJZSA-N 361.438 2.430 0 40 FEAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 20152518 RCASTZKKBWFQOM-UHFFFAOYSA-N 372.402 2.212 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 408596425 ZASYZCNRGJCSBJ-OQLLNIDSSA-N 370.336 2.382 0 40 FEAB Cc1ccn(C[C@@H](C)CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 36615043 BDILRFWNPVQOSJ-VIFPVBQESA-N 361.418 2.015 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1ccc(Br)cc1 409376429 XZHUSBQKIZRHBB-YXMPFFBPSA-N 352.184 2.432 0 40 FEAB CC(=O)N1CCN(Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355058 ZQQBMNSROWFKPU-IBGZPJMESA-N 367.497 2.066 0 40 FEAB CN(Cc1cn2c(n1)CCCC2)C(=O)c1csc(-c2cnn(C)c2)n1 572215957 YCYNHKRUVKBFBP-UHFFFAOYSA-N 356.455 2.349 0 40 FEAB CCOC(=O)c1cnc(NC(=S)NCc2ccc(OC)cc2)nc1C 225196498 RVHGPOCKDLVDIV-UHFFFAOYSA-N 360.439 2.457 0 40 FEAB C[C@@H](NC(=O)COC(=O)CCC(=O)NCc1ccco1)c1ccccc1 138992251 RKXFCFHBTQSGMC-CQSZACIVSA-N 358.394 2.097 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)n1 223353882 KZIAQEFTMFXWCS-CQSZACIVSA-N 353.378 2.248 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@@H](Oc3cncc(OC)n3)C2)cc1 225501127 PFIIWUYUZXKBRY-MRXNPFEDSA-N 372.425 2.247 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1nccn1C 248130449 MYBCIJJPTOOJRI-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2ccnc(O)n2)C1 257251836 JSLWMAOKRGWWKX-SNVBAGLBSA-N 355.366 2.029 0 40 FEAB Cc1cc(C[C@H]2COCCN(C(=O)COc3ccccc3F)C2)ncn1 257203693 AREKFMHDXCJIJT-OAHLLOKOSA-N 359.401 2.021 0 40 FEAB C[C@]1(NC(=O)c2ccc(Cc3ccccc3F)nc2)CCS(=O)(=O)C1 257274247 NKERWOKGTPCGHX-SFHVURJKSA-N 362.426 2.119 0 40 FEAB Cc1c(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)oc2ccccc12 257333835 YDGUJKIVFOXDOI-IRXDYDNUSA-N 358.438 2.039 0 40 FEAB O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)c1coc2c1C(=O)CCC2 1610680072 SZUWUKCVFGCQAA-QGZVFWFLSA-N 355.346 2.289 0 40 FEAB NC1(CC(=O)Nc2cnc3ccnn3c2)CCN(Cc2ccccc2)CC1 1122381875 CDCJMIKOVADYIM-UHFFFAOYSA-N 364.453 2.051 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)CCN2C 96362638 IYBPHHNORUGAFR-KRWDZBQOSA-N 364.442 2.138 0 40 FEAB Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]23)cs1 575402578 BXNUJNQTPDTDDI-VCQFHVMDSA-N 350.484 2.488 0 40 FEAB CCOC1CC2(CCN(C(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)C2)C1 585082609 PQDLENAJAWICDE-WBTXTPOCSA-N 371.481 2.494 0 40 FEAB CCn1cnc2c(N3CCN(c4ncnc5sccc45)CC3)ncnc21 592996861 SZAAXQAHJDOMCX-UHFFFAOYSA-N 366.454 2.178 0 40 FEAB O=C(NCc1cccs1)C(=O)NCC1(c2ccsc2)CCOCC1 952989861 OOPMYCVUSXSIPD-UHFFFAOYSA-N 364.492 2.290 0 40 FEAB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1)C(=O)O 5632934 TVRHFFMWZVUYHJ-IRXDYDNUSA-N 362.470 2.376 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)C1 12146285 WEFVFOWXMRGFKE-DAYGRLMNSA-N 369.465 2.142 0 40 FEAB c1csc(-c2nc(NCCN3CCOCC3)ncc2-c2cnccn2)c1 19343959 UNSGPQRLXHDJDB-UHFFFAOYSA-N 368.466 2.406 0 40 FEAB O=C(CN1CCCCC1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19344721 FAQCJFJFKOUMAO-ZDUSSCGKSA-N 362.455 2.184 0 40 FEAB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1C 8477407 NIZTWWVAKGJWOB-GXDHUFHOSA-N 358.394 2.417 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)c1 19234799 BOPIKEXRVFXSIH-QGZVFWFLSA-N 350.466 2.379 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1 19655017 HTRGJOGVFBGKRC-QGZVFWFLSA-N 370.844 2.348 0 40 FEAB Cc1occc1-c1cc(NC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)no1 683805183 KFKGHEJCZKNKSX-IUODEOHRSA-N 360.414 2.427 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2CCOCC2)nc1 12780710 JQHJPTMDYVDRIR-UHFFFAOYSA-N 370.409 2.138 0 40 FEAB O=C(O)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 4604676 NBMYWICIJALKTA-UHFFFAOYSA-N 363.391 2.198 0 40 FEAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3cccnc3)CC2)cc1 9069058 QLDAYNKUGMUCRP-UHFFFAOYSA-N 366.465 2.357 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)[C@H](C)Oc2ccccc2)cc1 9570488 YSMPEPLRSRIZEZ-AWEZNQCLSA-N 367.409 2.145 0 40 FEAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)NCCc1ccccc1 13701939 RVHWBFVUBAITNE-UHFFFAOYSA-N 356.451 2.276 0 40 FEAB COc1cccc(N2CCN(Cc3noc(C4CCOCC4)n3)CC2)c1 104944425 ZPDYQDQUYPSGIL-UHFFFAOYSA-N 358.442 2.294 0 40 FEAB O=C(NC[C@@H](OCCO)c1ccsc1)Nc1ccc2c(c1)OCO2 575621416 OAZGHANQHKTLSE-OAHLLOKOSA-N 350.396 2.349 0 40 FEAB Cc1cccc(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1 19234651 JJCWHDRONGCTHL-UHFFFAOYSA-N 350.466 2.379 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073577 LPYOSABQADEEAL-RTBURBONSA-N 357.498 2.068 0 40 FEAB O=C(NC(C1CC1)C1CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 40039662 VZXQALAEINXESI-CQSZACIVSA-N 356.422 2.116 0 40 FEAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 30303968 SWINSWDRFRBZMS-ZDUSSCGKSA-N 359.813 2.413 0 40 FEAB COc1cccc(CNC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 40149953 VLZUESKJHCCPFC-GOSISDBHSA-N 353.422 2.468 0 40 FEAB COc1cccc(CNC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 40149954 VLZUESKJHCCPFC-SFHVURJKSA-N 353.422 2.468 0 40 FEAB COCCn1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1=O 30545805 CIATYXSDHVTUNW-UHFFFAOYSA-N 356.426 2.132 0 40 FEAB NC(=O)[C@H]1CC(C(=O)Nc2cnc3ccccc3c2)=NN1c1ccccc1 30765670 AGFNTPBGZOIREK-GOSISDBHSA-N 359.389 2.294 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 31530352 FEVKSEMYWJURDD-UHFFFAOYSA-N 353.422 2.474 0 40 FEAB COc1cc2ncn(CC(=O)NC3CCCCCC3)c(=O)c2cc1OC 20734602 BKIPCKAMVZGGRL-UHFFFAOYSA-N 359.426 2.253 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OC[C@@H]2CCCO2)C(C)C)c1 32666425 UPVIQZPNCQAERB-WMLDXEAASA-N 365.426 2.180 0 40 FEAB CC(=O)Nc1cccc(-n2nnnc2SCc2nnsc2Cl)c1 32772352 QDOPGGLEYPTGGS-UHFFFAOYSA-N 367.847 2.418 0 40 FEAB C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C(=O)c2ccncc2)CC1 41267179 SHPZQJZMDIDQOB-HNNXBMFYSA-N 355.413 2.384 0 40 FEAB COC(=O)c1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)cc1 2775643 WYRHBACAXXQQJH-UHFFFAOYSA-N 366.830 2.295 0 40 FEAB Cn1ncc(CN2CCCN(C(=O)c3ccncc3)CC2)c1C(F)(F)F 79092915 IHCSCACHDSJUIU-UHFFFAOYSA-N 367.375 2.182 0 40 FEAB CCOc1cc([C@@H]2CC(=O)Nc3ncnn32)c(Br)cc1OC 6350877 JUEMEMJADHQICA-JTQLQIEISA-N 367.203 2.380 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 6397540 PLPZLANKAWZGFM-UHFFFAOYSA-N 351.790 2.178 0 40 FEAB CNC(=O)c1ccc(NC(=O)COC(=O)c2cn(C)c3ccccc23)cc1 7104083 KWHYOLLCRPKETI-UHFFFAOYSA-N 365.389 2.333 0 40 FEAB COc1ccc(CCNC(=O)COc2ccc(-c3nnco3)cc2)cc1 7433573 WGWOBKMHKQNPHP-UHFFFAOYSA-N 353.378 2.483 0 40 FEAB O=C(CCc1ccc2c(c1)OCCO2)NCCc1cn2ccccc2n1 23320217 ABOSDCBKPFSTPK-UHFFFAOYSA-N 351.406 2.397 0 40 FEAB Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c(C)c1 8156049 RFMJUEOWTJDXDH-UHFFFAOYSA-N 367.449 2.025 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@@H]1CN(C)CCO1 105471797 ZMMQZOMRIXNRSD-OAHLLOKOSA-N 352.841 2.393 0 40 FEAB O=C(Nc1n[nH]c(-c2cccc(Br)c2)n1)c1ccc[nH]c1=O 24716483 XPDIQZBHQJRHPX-UHFFFAOYSA-N 360.171 2.175 0 40 FEAB O=C(CCC1CCCCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58249932 BOGIUVOTINMRGY-UHFFFAOYSA-N 372.425 2.044 0 40 FEAB NC(=O)[C@H]1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1 56967030 KKEXVGITADUJPG-AWEZNQCLSA-N 373.453 2.134 0 40 FEAB COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 25705135 LHBYJCQECFLCQL-UHFFFAOYSA-N 363.464 2.339 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccnc1 10284146 REOVLQAXIIBGFG-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB CCN(C(=O)c1ccccc1I)[C@@H]1CC(O)=NC1=O 58218046 YXNLKKFOITYGGO-SNVBAGLBSA-N 372.162 2.009 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)NCCNC(=O)Cc1cccc(F)c1 58268493 JMTNQWNXMPULEP-CQSZACIVSA-N 361.417 2.398 0 40 FEAB CCn1c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 28249244 ZNTTUTAYQWHIPE-UHFFFAOYSA-N 372.450 2.493 0 40 FEAB CCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1 29508231 IGAODHLRYVHNJG-UHFFFAOYSA-N 366.377 2.071 0 40 FEAB COc1cc(OC)c(NS(=O)(=O)c2cccc(F)c2)c(C(=O)O)c1 60362428 CLBONYFPANQVIE-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 48355197 KOGSCFRURHTFHJ-HNNXBMFYSA-N 369.425 2.188 0 40 FEAB Cn1cc(C(=O)NC2CCN(C(=O)CCCc3cccs3)CC2)cn1 48302371 WXXSBINEDPZFEJ-UHFFFAOYSA-N 360.483 2.225 0 40 FEAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCN2CCOCC2)cc1 13010749 GLSRYQHVHIKBGJ-UHFFFAOYSA-N 363.458 2.025 0 40 FEAB Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 63949965 VSLMQSHFBYOAAL-GOSISDBHSA-N 365.433 2.266 0 40 FEAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)sc2n1 64333951 HKSNZDREMIOSBZ-KBPBESRZSA-N 360.483 2.210 0 40 FEAB CCCCCNC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 65565331 UDQGRQVFZWYUAV-UHFFFAOYSA-N 354.539 2.302 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@@H]1c1cccc(F)c1 67091904 ZJLKZDRJOMMULK-CABCVRRESA-N 359.401 2.053 0 40 FEAB CC(C)n1nnnc1SCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 9389975 LHYKZZCXAKGLCJ-UHFFFAOYSA-N 371.470 2.190 0 40 FEAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1csc(-c2ncccn2)n1 68077287 LEAWMUSIIUUFFX-ZDUSSCGKSA-N 362.361 2.342 0 40 FEAB COCCNC(=O)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 8074213 CQJQRGYXQQKRSI-UHFFFAOYSA-N 368.499 2.165 0 40 FEAB COC(=O)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 16732771 RLSYRRNENLZXRO-PTNGSMBKSA-N 363.398 2.152 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)c1 8355470 UIHVQVWVZXQYGQ-GFCCVEGCSA-N 367.405 2.442 0 40 FEAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncnc3c2cnn3C)CC1 71889373 IQPAGUMZTKKVPM-KRWDZBQOSA-N 356.474 2.371 0 40 FEAB Cc1occc1C(=O)NCC(=O)N1CCC2(CC1)C[C@H]2CN1CCCC1 95982772 YGVFCHGXMLXIFU-INIZCTEOSA-N 359.470 2.042 0 40 FEAB Cc1ccc(F)cc1-n1ccn(CC(=O)NC2CCC(C)CC2)c(=O)c1=O 67320489 YYHWQHXZTXBATI-UHFFFAOYSA-N 373.428 2.142 0 40 FEAB CCCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)n[nH]c1=O 26263516 UNLYGFJRZYPFOF-NSHDSACASA-N 352.435 2.480 0 40 FEAB CC(C)n1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@@H]2C)cn1 306123042 ADHFAQMWGQUJPX-AWEZNQCLSA-N 356.474 2.058 0 40 FEAB O=C(COC1CCCC1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 306130965 JTNMMCNPFGDGEF-SZMVWBNQSA-N 360.454 2.283 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 36360295 PKKSCRHWMVLHMG-UHFFFAOYSA-N 359.430 2.235 0 40 FEAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCCC1 34895965 CZDXVAANBOGZJU-UHFFFAOYSA-N 361.511 2.007 0 40 FEAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Br 32095069 KAGUJKLJYYBMKS-GRYCIOLGSA-N 374.242 2.367 0 40 FEAB CCCCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635048 DDIIHKYGHCSMPI-ZDUSSCGKSA-N 370.471 2.444 0 40 FEAB CCOCc1ccc(C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 72390970 CCCYDPWXCDEMCQ-QGZVFWFLSA-N 366.465 2.289 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)COc1ccccc1)C2 96227021 NXOLFKNWEVBMKC-GHTZIAJQSA-N 365.433 2.015 0 40 FEAB COc1ccc(-c2cc(C(=O)Nc3nc(C(F)(F)F)n[nH]3)n(C)n2)cc1 95473801 LLOLMEWXZQEWFQ-UHFFFAOYSA-N 366.303 2.485 0 40 FEAB COc1cccc(NCc2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)c1 95533837 WFJIJCGVRGUUAJ-SFHVURJKSA-N 369.425 2.491 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)Nc1cccnc1 96207424 KTOQNUDLHFSAQW-QRQLOZEOSA-N 352.438 2.342 0 40 FEAB Cn1cnc(CCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 582471640 HHTVMKFKOGIVPJ-QYZOEREBSA-N 354.454 2.177 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1cccs1)CC2 96205807 ZUIHXFQRYHATEB-CQSZACIVSA-N 350.484 2.485 0 40 FEAB O=C(C1CC1)N1CC[C@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247792718 AXPKRYAJZIQUBA-OAQYLSRUSA-N 364.449 2.499 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CC[C@H](n2cc(C3CC3)nn2)C1 244942715 CWEPYNKASMGBDT-HNNXBMFYSA-N 369.450 2.339 0 40 FEAB COc1ccc(CC(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)cc1 247912813 LDOCDLUJQHZLFI-GOSISDBHSA-N 368.433 2.472 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257221127 DNPQIUKKXISDLC-GOSISDBHSA-N 354.454 2.230 0 40 FEAB Cc1nn(C)c2nc([C@]3(C)CCCN(CC4(O)CCOCC4)C3)ccc12 257311550 UJZUELBIGWOHSZ-LJQANCHMSA-N 358.486 2.172 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)s2)cs1 593662553 XYKYAYOSUOCATA-FRGLDACASA-N 374.534 2.074 0 40 FEAB CN(C(=O)c1cc(C2CC2)n(C)n1)[C@H]1CCN(c2ccccc2F)C1=O 607832125 AIYCNJYUMHVONZ-INIZCTEOSA-N 356.401 2.314 0 40 FEAB OCCC1(CCO)CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 640010480 HNVCUFJKVUSBPT-UHFFFAOYSA-N 355.862 2.458 0 40 FEAB CO[C@H]1CCCN(C(=O)/C=C/CN2CCOCC2)[C@H]1Cc1ccccc1 585290585 FPVLGFPQNZOPSO-UPBJVAEDSA-N 358.482 2.124 0 40 FEAB COc1cc(CCC2CCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1 27968054 AWTGNTAZCDADII-UHFFFAOYSA-N 356.488 2.155 0 40 FEAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(N)=O)C1 72656305 GKXJZIMOEGXXFH-CQSZACIVSA-N 360.845 2.231 0 40 FEAB CSc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1 1124899 PBLXZAPMXKXYLS-NTEUORMPSA-N 352.444 2.483 0 40 FEAB CC(=O)NC[C]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 1560403788 COYGOXMGELCEAL-UHFFFAOYSA-N 352.411 2.004 0 40 FEAB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)cc1 8117589 IOWFXGSWKYJSPC-ZROIWOOFSA-N 351.362 2.105 0 40 FEAB CC(C)n1cc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cn1 12226306 YOPJWXVTMLKTHY-UHFFFAOYSA-N 368.437 2.261 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 12374082 NLZSWXDTUFLESS-NSHDSACASA-N 373.844 2.358 0 40 FEAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CCCO2)CC1 13267597 VCSGBPRYQDKQNI-QGZVFWFLSA-N 353.422 2.219 0 40 FEAB O=C(CSc1nncc2ccccc12)N1CCN(c2ccccn2)CC1 19141775 PBCHRZVQPXQDSO-UHFFFAOYSA-N 365.462 2.466 0 40 FEAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 19372181 YXDFBHUMRASGER-UHFFFAOYSA-N 367.449 2.214 0 40 FEAB CN(C)CCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19583117 ACCULMZEOJPXSG-INIZCTEOSA-N 355.486 2.499 0 40 FEAB COC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19592551 BWAYWSFXKUAHHT-UHFFFAOYSA-N 363.417 2.241 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCn1cnc2sccc2c1=O 11405011 OVKXNZJXRHREAT-UHFFFAOYSA-N 371.418 2.235 0 40 FEAB Cc1cc(N2CC[C@](F)(C(=O)Nc3cccnc3)C2)n2nc(C)cc2n1 1888896951 JYTITQJUBSXBGJ-GOSISDBHSA-N 354.389 2.298 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(c3ncc(Br)cn3)C2)nc1 1889090955 AFVQRWQLYSJFNJ-CYBMUJFWSA-N 363.263 2.443 0 40 FEAB COc1ccc(CN2CC3(CCN(C(=O)c4cc[nH]n4)CC3)CC2=O)cc1 1565544623 OPAGNHGBXNYVOY-UHFFFAOYSA-N 368.437 2.073 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N(CCO)Cc1ccccc1 4374022 UVTUOWFLSODALU-KRWDZBQOSA-N 371.412 2.135 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(OC)c1 4497297 CHCCFYHCHXQGGA-CYBMUJFWSA-N 358.369 2.378 0 40 FEAB COCCNC(=O)Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1 13717232 VFDHMULLAMEICT-UHFFFAOYSA-N 360.385 2.148 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)Nc1cccs1 206638689 UVVGZRKYGICTGI-UHFFFAOYSA-N 370.438 2.325 0 40 FEAB C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)Cc1ccsc1 618254692 DBWPFLAMLCHNQD-QGZVFWFLSA-N 367.492 2.022 0 40 FEAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc3ccccc23)n[nH]1 225556471 GKJUFFRPODOKCT-INIZCTEOSA-N 365.393 2.130 0 40 FEAB O=C(c1ncccn1)N1CCc2nc3ncc(Br)cc3cc2C1 2298080206 OPIHIRGKYYADHT-UHFFFAOYSA-N 370.210 2.381 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1COc2ccccc2C1 32493431 YSTCPVSGVAGPRW-HNNXBMFYSA-N 363.417 2.154 0 40 FEAB COc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(Cc2ccccc2)C1=O 102122123 XAJBMAQEHQRSRI-KRWDZBQOSA-N 367.405 2.393 0 40 FEAB Cc1cc(C(=O)OCCOc2ccccc2F)cc(S(N)(=O)=O)c1C 21485109 AAXJAHIQLNSUAG-UHFFFAOYSA-N 367.398 2.326 0 40 FEAB NC(=O)c1cccc(C(=O)NCc2cccnc2OCC(F)(F)F)c1 32818664 KBKIYNAWLVKQEQ-UHFFFAOYSA-N 353.300 2.052 0 40 FEAB CCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ncccc2c1=O 32885484 HEXFQUHKWPVUGC-LLVKDONJSA-N 358.423 2.374 0 40 FEAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1F)N(C)C 33047874 ZKRJTFGGDJTVRL-OAHLLOKOSA-N 352.431 2.416 0 40 FEAB CNC(=O)Cc1nc(CN2CCCc3c(C(=O)OC)cccc32)cs1 78971054 PEJPCIZZIZVIAO-UHFFFAOYSA-N 359.451 2.171 0 40 FEAB COc1ccc2cnn(CN3CCc4ccccc4C3)c(=O)c2c1OC 79487659 YJEKMLCKTGJACX-UHFFFAOYSA-N 351.406 2.430 0 40 FEAB Cc1ccc([C@](O)(CCNC(=O)Cc2c(C)nn(C)c2C)C(F)(F)F)o1 47474141 ZBRBSMKFJRDOLS-MRXNPFEDSA-N 373.375 2.437 0 40 FEAB Cn1ccnc1CN(C(=O)CCCNC(=O)NC1CCCCC1)C1CC1 54039163 AWVRDXXULDRPGW-UHFFFAOYSA-N 361.490 2.323 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc2c(cc1C(=O)O)OCCO2 23074862 UKCVUFAIXOPTBL-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB COc1cc(CNCCCN(C)C)ccc1OCC(=O)NC(C)(C)C 6882432 VTCAHWITDKXDIC-UHFFFAOYSA-N 351.491 2.030 0 40 FEAB C[C@@H](C(=O)NCC1(c2cccc(Br)c2)CCC1)S(C)(=O)=O 58173949 XMBFXAIMNAUENR-NSHDSACASA-N 374.300 2.420 0 40 FEAB O=C1O[C@@H]2C[C@@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 100482592 UGMVWRUROSQBMX-MWTISTBLSA-N 368.433 2.449 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1C 23683859 VRRRKDPDLWNTEH-PSLIRLAXSA-N 369.468 2.021 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1 1072091 HHVFQCSRFJEFKU-UHFFFAOYSA-N 351.380 2.350 0 40 FEAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCN(C(=O)C2CC2)CC1 58017763 IBGGWJMGKRZPMM-UHFFFAOYSA-N 372.469 2.219 0 40 FEAB O=C(c1ccncc1)N1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 108528138 HAPSVSLUCXABQY-OALUTQOASA-N 355.413 2.336 0 40 FEAB O=S(=O)(c1ccc(Cl)nc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 26871311 BEVZNTYHNDOZDN-NEPJUHHUSA-N 362.904 2.410 0 40 FEAB COc1ccc([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)cc1F 57909595 NZRXMWPFDXZOLE-SNVBAGLBSA-N 361.398 2.483 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1 25007521 WEORHTUSABFMAN-UHFFFAOYSA-N 364.511 2.286 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O 58195896 UJOFWHLUQHXSSY-IBGZPJMESA-N 371.393 2.392 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 48253394 VXYNJUBRTRRHIA-MRXNPFEDSA-N 368.474 2.178 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@]1(C)CC1(Cl)Cl 48261892 AYBNXDYCIKUJNZ-ZDUSSCGKSA-N 365.282 2.137 0 40 FEAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCCC2)c1 58358216 ZJVLNFGNPISKEH-UHFFFAOYSA-N 361.423 2.214 0 40 FEAB Cc1csc2nc(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cc(=O)n12 10537541 CQMFESWORNAURM-DYZYQPBXSA-N 360.439 2.065 0 40 FEAB COc1ccc([C@H]2C(c3ccccc3)=C(O)[C@H](O)N2c2nnn[nH]2)cc1 106105459 XTHASLIJCUNAHN-RDJZCZTQSA-N 351.366 2.057 0 40 FEAB COc1cccc(C(=O)NCCn2cc(Br)cn2)c1OC 28241715 VKVNZOVQVLZXQB-UHFFFAOYSA-N 354.204 2.093 0 40 FEAB CN1CCN(c2ccc(Cl)cc2NC(=O)CN2CCSC2=O)CC1 9113708 HCTFJXAAXMJPHK-UHFFFAOYSA-N 368.890 2.199 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3s2)CC1 6113228 IPYBATJCSHSNAV-UHFFFAOYSA-N 361.419 2.470 0 40 FEAB COc1cc(NC(=O)Cn2nnc3ccccc3c2=O)c(OC)cc1Cl 14162670 GSXVNORWQOSVJC-UHFFFAOYSA-N 374.784 2.101 0 40 FEAB O=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 9340767 JQOYNFNDUKPGAK-UHFFFAOYSA-N 352.778 2.429 0 40 FEAB COC(=O)C1(NC(=O)CNC(=O)OCc2ccccc2)CCC(C)CC1 67210436 OWYZTQBCVOCIFS-UHFFFAOYSA-N 362.426 2.151 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1OC 7158693 XZENMQGGZMRUHI-KRWDZBQOSA-N 374.462 2.410 0 40 FEAB O=C(COC(=O)c1cccnc1N1CCCC1)NCc1ccc(F)cc1 16289864 PEJOSBUKVNZZEM-UHFFFAOYSA-N 357.385 2.294 0 40 FEAB COC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ccccn1)C(F)(F)F 19944402 GWSASPQVMVTSFR-OAHLLOKOSA-N 371.290 2.494 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)cc1 9668520 CWOZOZFKRWOHFY-HIFRSBDPSA-N 362.426 2.075 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)[C@@H]2C1 408686729 SRCKDNNRWPUCEM-DLBZAZTESA-N 354.406 2.005 0 40 FEAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 407970683 CQBDNIMVVAQZJG-ULQDDVLXSA-N 366.483 2.044 0 40 FEAB O=C1CCC(C(=O)Nc2ccccc2OCCN2CCCCCC2)=NN1 35317006 LQGUERLUZDAORL-UHFFFAOYSA-N 358.442 2.146 0 40 FEAB CC(C)CN1C[C@@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1=O 515545667 VRSBKMDBBITIHQ-VIFPVBQESA-N 357.336 2.461 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C 33746613 NCIKGWOMJPPZNX-UHFFFAOYSA-N 353.371 2.487 0 40 FEAB COC(=O)CCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 32990675 FVAAHOGRTWXECH-UHFFFAOYSA-N 356.357 2.095 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71980125 RJLKSZAXENBKMA-AWEZNQCLSA-N 352.818 2.078 0 40 FEAB CC(C)c1nc(-c2cccc(NC(=O)c3nccnc3C(=O)O)c2)n[nH]1 71284970 SFGVFIRJQHDUMJ-UHFFFAOYSA-N 352.354 2.336 0 40 FEAB CC(C)C(NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)C(C)C 224907418 ALBYEWVBXWAAJS-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)c1 225929274 YASBZLBPSPZAMZ-UHFFFAOYSA-N 360.479 2.283 0 40 FEAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 96058470 RBCHKDGWZFZAAZ-OALUTQOASA-N 360.479 2.457 0 40 FEAB Cc1ncccc1NC(=O)[C@H]1CO[C@H]2CCN(c3ncccn3)C[C@H]2C1 96066049 XVBSLFKMWSUSKP-INMHGKMJSA-N 353.426 2.050 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 247741098 OCWUHEPCUXQOJL-MRXNPFEDSA-N 360.454 2.427 0 40 FEAB Cc1cc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)n(C)n1 248055763 SMFKOQNLYCFGTE-KRWDZBQOSA-N 351.516 2.232 0 40 FEAB O=C(COc1ccccc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247732848 IMKYJPSURIBHFL-QGZVFWFLSA-N 354.406 2.299 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)ncn1 257326353 WWXVUWTXXXVNRK-HNNXBMFYSA-N 356.426 2.126 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1ncccc1C 257310699 UGDOSEXBJPBGDD-MRXNPFEDSA-N 353.426 2.102 0 40 FEAB O=C(OCc1ccccc1)N1CCN2C[C@H](Cc3cccnc3)OC[C@H]2C1 257289330 PYEJQMHAFFKPHW-UXHICEINSA-N 367.449 2.346 0 40 FEAB Cc1nccc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 266386543 NNSANJNSECTEEK-UHFFFAOYSA-N 372.903 2.401 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccccc1CCC(F)(F)F 643940820 REZBCCUDNUUSRZ-MRXNPFEDSA-N 358.360 2.288 0 40 FEAB O=C(Cn1ccc2ccccc21)N1CC(S(=O)(=O)Cc2ccco2)C1 96122106 GLQYGOMBWDWGRN-UHFFFAOYSA-N 358.419 2.060 0 40 FEAB Brc1cnc(OC[C@H]2CCCN(c3cnccn3)C2)nc1 1776000441 BZHFXQOUGDPFEU-NSHDSACASA-N 350.220 2.325 0 40 FEAB Cc1ccc(-c2cccc(C(=O)NCCS(=O)(=O)N3CCCC3)c2)o1 97805615 BOABHEIMZJPADI-UHFFFAOYSA-N 362.451 2.410 0 40 FEAB COc1cccc(CNC(=O)C(=O)NCc2ccccc2OC(C)C)c1 298094409 ITOPYIHHFPPAAD-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB CN(C)S(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 56124622 HZBVCEUWQJXSNW-UHFFFAOYSA-N 365.421 2.066 0 40 FEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCN1CCC[C@H](C)C1 76280905 SQYWSHIRCJDPTC-OXJNMPFZSA-N 357.498 2.371 0 40 FEAB COCCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 95998536 XWVPVLANKYJFFO-GOSISDBHSA-N 373.453 2.434 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2noc3ccccc23)c1 11360421 CYSLJUOLSYCXFQ-UHFFFAOYSA-N 359.407 2.058 0 40 FEAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc2nsnc2c1 12142041 LBZJBOXEFUIQGS-JTQLQIEISA-N 354.391 2.418 0 40 FEAB C[C@H]1CN(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)C[C@@H](C)O1 12199277 YSTNBDSYUCVTHX-FCEWJHQRSA-N 363.477 2.188 0 40 FEAB CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12347178 ZXGHKWGZOHUMQO-MLGOLLRUSA-N 359.451 2.038 0 40 FEAB CC(C)Cc1nn2c(=O)cc(COC(=O)COc3ccccc3)nc2s1 15734039 WBPFZAYKUIQJHO-UHFFFAOYSA-N 373.434 2.472 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)OCc1nnnn1-c1ccccc1 17659732 NDIZPWNLLJGGMR-UHFFFAOYSA-N 350.378 2.273 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 1361741 GAHCXUTYBLAJTP-GFCCVEGCSA-N 356.378 2.456 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1 3270580 XVMKWTBWVSJZNZ-UHFFFAOYSA-N 358.394 2.005 0 40 FEAB COc1ccc(CCNC(=O)CSc2nncn2C(C)C)cc1OC 4768484 FWOPBAMUUSKPDI-UHFFFAOYSA-N 364.471 2.327 0 40 FEAB O=C(COc1ccccc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888866973 KVIMJHABVXAIPZ-IRXDYDNUSA-N 364.449 2.328 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@H]3CN(c4ccccn4)C[C@H]32)c1 1889139338 LAVICOYJFVMENG-KBXCAEBGSA-N 353.422 2.450 0 40 FEAB c1ccc([C@@H](CN2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 23845527 KMMKCXPGHXBSSS-GOSISDBHSA-N 350.426 2.148 0 40 FEAB COCCN1CCO[C@@H]2CCN(C(=O)c3ccc4c(ccn4C)c3)CC[C@H]21 2055746209 ZKLUVGDVJVEZJD-WOJBJXKFSA-N 371.481 2.130 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCO1)N1CCOCC1 1889133932 DHMOOTBTZTWUFJ-HNNXBMFYSA-N 359.253 2.053 0 40 FEAB O=C(NCc1cn(-c2ccsc2)nn1)c1cc(=O)c2ccccc2o1 575618005 GKFARKCXTGZNEV-UHFFFAOYSA-N 352.375 2.365 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 41621476 QLFZYYYNGKRSPE-CQSZACIVSA-N 351.497 2.324 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1ccccc1)C1CC1 70966844 YMKZRESQNMVMIM-HXUWFJFHSA-N 352.390 2.009 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)N3CCCC3)c1)CS2 30479288 YGXIIAOZMIJZCH-KXBFYZLASA-N 373.478 2.315 0 40 FEAB COc1ccccc1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10464242 KPKJUMUMTDDQTE-UHFFFAOYSA-N 363.439 2.267 0 40 FEAB O=C(NCc1cccnc1N1CCOCC1)C1(c2ccc(F)cc2)CC1 31329396 BJSGJSFMIIATRD-UHFFFAOYSA-N 355.413 2.405 0 40 FEAB CCOc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(C)=O)C2=O)cc1 100560677 RJBUKEIOAJLJEU-KRWDZBQOSA-N 356.378 2.359 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)COC(=O)Cc2ccc(F)cc2)cc1 32851445 VQPCKDIXGVQMCG-UHFFFAOYSA-N 350.367 2.198 0 40 FEAB Cc1nc2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2nc1C 53282608 IUTXENQRYDDBHO-UHFFFAOYSA-N 350.426 2.495 0 40 FEAB CCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@](O)(C(F)(F)F)C1 680216 MXMJTRXMVBBKIS-HNNXBMFYSA-N 360.332 2.496 0 40 FEAB COc1cccc(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1668105 CXRRDODXFDJELO-UHFFFAOYSA-N 352.390 2.040 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C(=O)O)ccc21 42122802 MOLQLVIUUASCKD-UHFFFAOYSA-N 374.418 2.403 0 40 FEAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 800575 IDTLADAEYNJUCE-UHFFFAOYSA-N 366.483 2.108 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccccc1F 6453839 LCOANNLTPCVQMI-UHFFFAOYSA-N 350.415 2.269 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1 7735441 RPNQSHJHPHIGPC-QGZVFWFLSA-N 374.393 2.225 0 40 FEAB CC(=O)NCCc1ccc(C(=O)CSc2nncn2C2CC2)s1 10649650 JPHATJLZFZOANC-UHFFFAOYSA-N 350.469 2.328 0 40 FEAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35307606 SUPMHMMRYWRIHI-GFCCVEGCSA-N 356.451 2.121 0 40 FEAB CCCn1c(=O)n(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 12685130 TYYFYAWWUZKFIV-UHFFFAOYSA-N 365.393 2.021 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)c4ccnn4C)C3)nn2c1O 100138438 YUVNKBUBCNKJRQ-ZDUSSCGKSA-N 368.441 2.059 0 40 FEAB O=C(COc1ccc(F)c(F)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 57940948 FIXAPIMIPAILMZ-CYBMUJFWSA-N 373.421 2.302 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)OCc2ccccc2)c1 10026647 AQDALTHNMHUSKJ-UHFFFAOYSA-N 370.361 2.255 0 40 FEAB CN1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 20141828 IPUZWWUITFBFJF-KRWDZBQOSA-N 354.483 2.120 0 40 FEAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2117968 SOWJLROCUXZHGD-UHFFFAOYSA-N 359.378 2.112 0 40 FEAB biogenic CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 58306999 ISHAJWOPGWMCJK-GASCZTMLSA-N 374.481 2.443 0 40 FEAB Cc1ccc(OCC(=O)Nn2c(S)nc3ccccc3c2=O)c(C)c1 102228998 GCWFPIOZEOTXTH-UHFFFAOYSA-N 355.419 2.451 0 40 FEAB CN(CC(=O)NCCc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1 12817797 WKIPCTJDSZNSHP-UHFFFAOYSA-N 358.413 2.388 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](C)N1CCCN(c2nccs2)CC1 60099624 XYZSSWUCECGQIJ-OAHLLOKOSA-N 374.510 2.369 0 40 FEAB CCN(C(=O)COC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 3410125 KZZRFPNCFUHDET-UHFFFAOYSA-N 361.419 2.300 0 40 FEAB COc1ccc(CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 12919809 MYSXAHOMXUWNAG-UHFFFAOYSA-N 360.435 2.147 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccccc1C)O2 38848743 LXTMLCILVNSIHB-GOSISDBHSA-N 374.462 2.147 0 40 FEAB CNC(=S)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O 13693057 MWHDNRLCODVXNA-QGZVFWFLSA-N 365.458 2.386 0 40 FEAB COc1cc2cc(C(=O)NCCc3nnc4ccccn34)[nH]c2cc1OC 96118757 ZGCWREZOVNOAOB-UHFFFAOYSA-N 365.393 2.200 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)N[C@@](C)(C(=O)OC)c2ccccc2)cc1 65585394 VUIQVMZRPDDEKX-QGFLDLQWSA-N 366.417 2.264 0 40 FEAB Fc1ccc(-c2noc(CSc3nnnn3C[C@H]3CCCO3)n2)cc1 14140516 IGPDQEUPNYBDRC-GFCCVEGCSA-N 362.390 2.334 0 40 FEAB CCCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)n[nH]c1=O 14117985 BKYJVQOBYDGJMV-UHFFFAOYSA-N 374.426 2.152 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCN1C(=O)COc2ccccc21 15136191 QIGPGGYHDYBEKT-UHFFFAOYSA-N 368.389 2.189 0 40 FEAB CC(C)CNC(=O)[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 80330049 QTRYNIJJSIAMKF-CQSZACIVSA-N 366.893 2.332 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 47536828 WTIFPYPSLCIFRR-UHFFFAOYSA-N 374.832 2.151 0 40 FEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)cc1 7779217 WHDAZDQGNHFVDL-ZDUSSCGKSA-N 366.377 2.489 0 40 FEAB O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCCC1 17042707 JIPKRGRWMYXVEK-UHFFFAOYSA-N 355.438 2.119 0 40 FEAB CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)nc2c1 69835877 LXYMBSPSJRGCFU-UHFFFAOYSA-N 359.407 2.251 0 40 FEAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NCc2ccco2)o1 8719183 OIFFPLALJNOZSU-UHFFFAOYSA-N 362.367 2.349 0 40 FEAB Cc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22531894 KCYMXVXASLXWGZ-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB CC(C)[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N1CCCS1(=O)=O 89775852 LGYWSJUJCPNERZ-DOTOQJQBSA-N 352.500 2.184 0 40 FEAB O=C(CSCc1ccccc1Br)NCCN1CCOCC1 408574624 AKLYSCLBALYNNE-UHFFFAOYSA-N 373.316 2.131 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C 408603648 GSRSUWYYVGQXSX-NSHDSACASA-N 362.879 2.178 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 38833627 AUBZGWUNYRORKW-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB CCn1cc(-c2cc(C(F)(F)F)n3nc(CCC(=O)O)nc3n2)cn1 35655602 KXOHRXHBKAXMNF-UHFFFAOYSA-N 354.292 2.044 0 40 FEAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 35425463 CTHSEXIGESSSHM-AWEZNQCLSA-N 370.413 2.217 0 40 FEAB biogenic,in-vitro C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2cnccn2)C1 70842088 WJAQXGIQPGBNQP-LBPRGKRZSA-N 354.385 2.056 0 40 FEAB COCCCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217575979 PHQBAZAQHBJHPF-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(S(=O)(=O)c2cc(C)cs2)C1 566896597 JUKYKWIZRWYFHG-NEPJUHHUSA-N 368.484 2.203 0 40 FEAB Cn1cnc2c1CCN(C[C@](C)(O)c1ccc(Br)cc1)C2 70503648 JSYDYAXSSKCKRJ-INIZCTEOSA-N 350.260 2.448 0 40 FEAB CCc1nn2c(nnc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1 40388318 VWZVFGZDEPODOM-UHFFFAOYSA-N 363.421 2.396 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)CCc3ccccc3)nc2s1 41077291 MCTOXIKZOHKKKF-UHFFFAOYSA-N 373.434 2.364 0 40 FEAB CCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 573143957 IEDTTWZCUPNQIF-UHFFFAOYSA-N 364.405 2.950 0 40 FEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N(C)C 223249174 DTSOOOJABKPGDE-UHFFFAOYSA-N 374.462 2.213 0 40 FEAB CCc1ccc(CN2CC[C@H]3C[C@H](C(=O)Nc4cnccn4)O[C@@H]3C2)o1 96042819 QDKDXDIXPOUWHO-IAOVAPTHSA-N 356.426 2.250 0 40 FEAB Cc1nc(CN2CCC3(CCN(C(=O)c4ccnnc4)CC3)C2)cs1 96062855 MSTODLAGRIZUCR-UHFFFAOYSA-N 357.483 2.370 0 40 FEAB CC(C)CNC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 96225461 SJENUDCCYHBGGW-SFHVURJKSA-N 363.845 2.473 0 40 FEAB Cn1nccc1C(=O)N1Cc2cccn2[C@H](COCc2ccccn2)C1 248005858 BYNOVFQNGKTAGR-KRWDZBQOSA-N 351.410 2.031 0 40 FEAB O=C(Cc1ccccc1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247858835 LSXRMPOEEPYHLE-KRWDZBQOSA-N 352.438 2.139 0 40 FEAB Cc1cc(C[C@@H]2COCCN(C(=O)CCc3c(C)noc3C)C2)ncn1 257263003 LNYDAWNVCBOIJN-INIZCTEOSA-N 358.442 2.040 0 40 FEAB COc1cc(OC)cc(C(=O)N2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)c1 257301618 RZDKQWKXRZHLOC-CYBMUJFWSA-N 358.442 2.118 0 40 FEAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2[nH]1 24979054 FPJCSNGJYSJHKH-NSHDSACASA-N 358.423 2.425 0 40 FEAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc2nsnc2c1 85560896 SOIKEFDBFPIITG-CQSZACIVSA-N 357.391 2.274 0 40 FEAB CO[C@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 257305599 SQSMBPMUFGUTNV-PKOBYXMFSA-N 362.495 2.395 0 40 FEAB CC(=O)N[C@]1(C)C[C@@H](c2ccccc2C(=O)O)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257252218 JTYZPPBBPHQRQB-KWXDATOUSA-N 359.422 2.437 0 40 FEAB NCCc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 257262378 LLEFFYWRBGFJAH-VAMGGRTRSA-N 354.450 2.279 0 40 FEAB CCn1cc(-c2ccnc3cc(C(=O)N(C)C4CCOCC4)nn23)c(C)n1 257294591 QUUSGBAAKSECTK-UHFFFAOYSA-N 368.441 2.172 0 40 FEAB COc1ccc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)c(OC)c1 257242561 IDCZNIVDUMAPND-KRWDZBQOSA-N 359.426 2.033 0 40 FEAB CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1nnc(O)c2ccccc12 1129625640 FFJJYDSGAWVRTM-UHFFFAOYSA-N 353.426 2.296 0 40 FEAB Cc1cccc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)c1C(=O)O 647127333 HXWLGYPDOFHHET-UHFFFAOYSA-N 366.395 2.097 0 40 FEAB CCN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccn(C)n2)[C@@H]1c1ccccc1 661315844 SJFNTCJUWZXAAL-SNRMKQJTSA-N 371.485 2.242 0 40 FEAB Cc1nc2c(c(N3CCC[C@H](c4nc(CC(C)C)no4)C3)n1)CCNC2 71763053 DLUORGPCTOJOCR-AWEZNQCLSA-N 356.474 2.396 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccc(Cl)c3)C2)OC1 585105071 OTAGJVQMCPPNFY-OAHLLOKOSA-N 372.918 2.260 0 40 FEAB Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCCc3ccc(C(N)=O)nc31)O2 585114343 CMCXIFQBSULDKJ-KRWDZBQOSA-N 351.406 2.162 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585112603 UDOIXPJHGUSOSN-MRXNPFEDSA-N 368.890 2.033 0 40 FEAB CO[C@@H]1CN(C(=O)c2cnc(C)nc2O)CC[C@@H]1Cc1ccccc1F 585280002 VNCCWVCQRVDROY-RHSMWYFYSA-N 359.401 2.350 0 40 FEAB Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000183 CAHRTQIKFHUOCT-ZWKOTPCHSA-N 353.422 2.279 0 40 FEAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)OCO2 5339203 XVBHQBPALVTYDK-UHFFFAOYSA-N 360.391 2.208 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12144929 KPKGWJGNICNRAX-FUHWJXTLSA-N 371.412 2.219 0 40 FEAB Cc1cc(C)cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 12762809 WAUQOCYEFOHYTR-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC 15588475 MAEUKZIHFLHQMI-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB O=C(c1cccnc1SC(F)F)N1CCN(c2ncccn2)CC1 17299295 ZDSARRIBTGQGDX-UHFFFAOYSA-N 351.382 2.149 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCc3cccs3)n2)c(C)o1 19567759 CILIZYARUQESLL-UHFFFAOYSA-N 358.423 2.080 0 40 FEAB Cc1ccc(Nc2ncc(C(=O)N[C@H](C)CN3CCOCC3)c(C)n2)cc1 19714492 ZCWLFGFGSRQIIR-OAHLLOKOSA-N 369.469 2.288 0 40 FEAB O=C(NC1CCCC1)[C@H]1CCN(C(=O)CCN2CCc3ccccc32)C1 19747724 VULCXIAWALVXLI-KRWDZBQOSA-N 355.482 2.347 0 40 FEAB CN1C(=O)N(C)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O 16849911 SRPAJHVQFVANNN-UHFFFAOYSA-N 357.454 2.483 0 40 FEAB O=C(COC(=O)COc1ccccc1)Nc1ccccc1C(=O)NC1CC1 6460284 QENQRCNTNNWWLW-UHFFFAOYSA-N 368.389 2.140 0 40 FEAB O=C(N1CCO[C@]2(C1)C(=O)N(CC1CC1)C[C@@H]2c1ccccc1)C1(F)CC1 1565546396 ADVHLRAORKFALW-UTKZUKDTSA-N 372.440 2.122 0 40 FEAB CCC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328419 VGCMYSNVCZLJNX-UHFFFAOYSA-N 366.424 2.346 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ncc(F)cn2)C1 575614331 ZJVOPONWLLCOJM-ZDUSSCGKSA-N 360.345 2.420 0 40 FEAB O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)Nc1ccc(F)cc1F 575620358 QAKMDKWKUBHRRY-UHFFFAOYSA-N 373.407 2.004 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN2c2ncccn2)cc1Cl 618256301 GBRDNWPSMMFAOC-ZDUSSCGKSA-N 366.874 2.386 0 40 FEAB Cc1ccsc1CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 40049831 QIIYAOGVFXFMDM-UHFFFAOYSA-N 352.437 2.208 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCOC1 40089194 XJTOBXQRNMRKTA-WFASDCNBSA-N 370.902 2.344 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1 31072237 KUQXNRWJNVPJJD-CQSZACIVSA-N 352.412 2.183 0 40 FEAB CC(=O)Nc1ccc(CC(=O)OCCn2c(=O)oc3ccccc32)cc1 30741403 QIEFQTYYIVMZCS-UHFFFAOYSA-N 354.362 2.339 0 40 FEAB COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)OCC(=O)c1ccc(OC)cc1 100399368 ONFSNMPRGOMFHO-WZDWFBNESA-N 370.401 2.278 0 40 FEAB CCCCN(C)S(=O)(=O)NCc1ccnc(OCC(F)(F)F)c1 32443549 WEKQLFANVSANPZ-UHFFFAOYSA-N 355.382 2.089 0 40 FEAB Cc1ccc(CCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)cc1 32915282 XLAJHKVMQVWENG-UHFFFAOYSA-N 372.490 2.436 0 40 FEAB COC(=O)C[C@H](NC(=O)CCN1CCSC1=O)c1ccc(C)cc1 52987368 FFYIVXKWEWEDLP-AWEZNQCLSA-N 350.440 2.274 0 40 FEAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 33211956 UJBWWMOURRIPCO-RDJZCZTQSA-N 372.469 2.058 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C 8745656 ZAQZTZOJYHIOMR-UHFFFAOYSA-N 359.334 2.187 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(Cl)cc1 8743002 HTXFBUAGILGVFA-UHFFFAOYSA-N 372.812 2.125 0 40 FEAB NC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O 12325023 AFDNMPOMDWKWFL-UHFFFAOYSA-N 360.373 2.179 0 40 FEAB CCOC(=O)[C@@H](C(C)=O)C(c1ccc(O)cc1)[C@H](C(C)=O)C(=O)OCC 1705741 OSTMROMJURSELQ-HOTGVXAUSA-N 364.394 2.012 0 40 FEAB CCSCCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53744006 QHPCQFKDZFFJEW-UHFFFAOYSA-N 367.490 2.124 0 40 FEAB COc1ccc2[nH]c(C(=O)NCC(=O)Nc3nccs3)cc2c1OC 12322500 MJBKFEZVBGXSBW-UHFFFAOYSA-N 360.395 2.010 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccccc1C#N 47468264 CPUKCWQNZHAGBP-LLVKDONJSA-N 350.421 2.030 0 40 FEAB Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 6818376 KMYAXNOUWVMJGS-UHFFFAOYSA-N 354.457 2.266 0 40 FEAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7928977 KTJIXZKFBULCKK-CQSZACIVSA-N 369.373 2.440 0 40 FEAB COCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1 959139 AMWZPMWGGUTACL-UHFFFAOYSA-N 361.379 2.117 0 40 FEAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1O 105741190 KJZKMDWLCNJTQT-BKKXBQFWSA-N 367.854 2.029 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 24765864 TXTHEOWZNTUJMP-MCMJNGCASA-N 368.543 2.379 0 40 FEAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NC(C)C)cc2)n1C 1423908 CLUQSFWCGFILSO-UHFFFAOYSA-N 351.472 2.295 0 40 FEAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 26455880 DLWADIYWRGQCNA-GOSISDBHSA-N 373.453 2.208 0 40 FEAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(c2ccccc2)CC1 57389703 PTVKFCNTAZPRJU-INIZCTEOSA-N 364.449 2.182 0 40 FEAB CCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1=O 27018454 AEADHXNGORRDGY-NSHDSACASA-N 356.382 2.015 0 40 FEAB C[C@@H]1[C@@H](NC(=O)CSc2nnnn2-c2ccc(O)cc2)CCC[C@H]1C 108880600 WDANTCDLUUAIHW-XUJVJEKNSA-N 361.471 2.401 0 40 FEAB Cn1cc(CCN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cn1 95398717 ATGZJCGIBASYGX-LJQANCHMSA-N 354.454 2.243 0 40 FEAB CCOc1cc(C(=O)N(C)CC(=O)N(C)C)ccc1OCc1cccnc1 45140513 UGYFXOIWAWYLQZ-UHFFFAOYSA-N 371.437 2.220 0 40 FEAB O=C(COc1ccccc1Cl)NCc1ccc(N2CCOCC2)nc1 11127283 BEZQYUXRKBQNKV-UHFFFAOYSA-N 361.829 2.267 0 40 FEAB COc1ccc(C(=O)NC(=S)N2CCN(c3ccccc3O)CC2)cc1 3305459 FKBLBZSCQHRHNB-UHFFFAOYSA-N 371.462 2.238 0 40 FEAB CC(C)CN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335888 CPSKCPBWOHYLGJ-UHFFFAOYSA-N 373.482 2.204 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 29199326 IJPGKYPMUUYIIO-HNNXBMFYSA-N 370.902 2.302 0 40 FEAB COc1ccc(OC)c2c1CN(Cc1nc(-c3ccco3)no1)C[C@H]2O 45957556 NZFDLVLUKLMSRR-GFCCVEGCSA-N 357.366 2.396 0 40 FEAB Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NS(=O)(=O)N(C)C 11814016 HVUGMSHLGAFGSX-CYBMUJFWSA-N 355.508 2.011 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 3475792 GUEUMAHPVPBSCL-NSHDSACASA-N 361.785 2.035 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 13858172 FTJRRPJCFMPANL-UHFFFAOYSA-N 361.423 2.293 0 40 FEAB O=C(O)CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 4690454 HTGKOZGPGWNHJE-RUDMXATFSA-N 358.169 2.276 0 40 FEAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NC1CC1 4694543 YYYUZUYSHJNCPH-UHFFFAOYSA-N 358.463 2.199 0 40 FEAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 4815930 ABNMXMFJQYYOES-GFCCVEGCSA-N 360.439 2.293 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCCC(=O)N2CCCC2)CC1 6955065 SCXNKMWRSMSBRM-UHFFFAOYSA-N 359.470 2.137 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc2O1 15617093 QGNHXSPOAVOPJU-OAHLLOKOSA-N 362.332 2.442 0 40 FEAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)c1 7458626 NPYYXXRMNUXKIJ-UHFFFAOYSA-N 374.441 2.490 0 40 FEAB COc1cc(COC[C@H](O)CN2CCCC[C@@H]2C)cc(OC)c1OC 15911987 NSGAMEJUVFZLSE-GOEBONIOSA-N 353.459 2.464 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409016193 STJBNABVQWYLJM-RILYUOAZSA-N 351.380 2.389 0 40 FEAB Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 8233484 SPDXUINSLFSBDK-HNNXBMFYSA-N 366.417 2.246 0 40 FEAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)NC1CCCC1 8316111 GAOCKQNTZPAFKN-GFCCVEGCSA-N 366.483 2.444 0 40 FEAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(-c2noc(O)n2)cc1 69951034 UVABGCMYQWCAGT-UHFFFAOYSA-N 352.350 2.201 0 40 FEAB COc1cc(NC(=O)Cc2ccccc2C(=O)O)c(C(=O)O)cc1OC 70666331 HEGLLELRKYTVRF-UHFFFAOYSA-N 359.334 2.281 0 40 FEAB biogenic C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425049 PQOOSHHYDOYXKG-SRXBQZRASA-N 374.418 2.090 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccc(OC)cc2)CC1 408703009 MBDRLRBGZWPXBK-INIZCTEOSA-N 350.415 2.153 0 40 FEAB c1ccc([C@H](NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 95466203 RQAHSMVLVHZAIK-HJNYFJLDSA-N 367.493 2.498 0 40 FEAB Cc1cccc(COc2cccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2)c1 552439615 RXLRVBNGYXIQRY-PMACEKPBSA-N 354.450 2.321 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1 1556298830 WNUZUPYHURPCGE-UHFFFAOYSA-N 370.430 2.241 0 40 FEAB O=C(c1cnccn1)N1CC[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306131792 KPTYCNGOAJNDSK-MRXNPFEDSA-N 371.404 2.211 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 35898183 AZILDUUYUIDGLK-NONVJHHQSA-N 358.413 2.387 0 40 FEAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 72379234 SWDROKDXOIVWKC-HNNXBMFYSA-N 350.426 2.329 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218399281 QBSMVEUEHCUFIK-AOIWGVFYSA-N 359.447 2.195 0 40 FEAB N[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218641508 VMUCPUKAESXWIB-PMPSAXMXSA-N 355.818 2.109 0 40 FEAB O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)[C@H]1CCCN1c1nccs1 560504137 QJMGTRGWJBLQJM-LLVKDONJSA-N 357.395 2.356 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 138796290 JDTYNLVHOZPDPO-FFBJCKDISA-N 363.797 2.328 0 40 FEAB COc1ccc(CNC(=O)NC[C@]2(O)CCc3ccccc32)cc1OC 75155799 UVRYFWIUFQQBQL-HXUWFJFHSA-N 356.422 2.337 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cccc(Cl)c2)o1 42381123 UBRPSXSXJRFPAW-UHFFFAOYSA-N 364.814 2.291 0 40 FEAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)CCS(=O)(=O)c1ccccc1 225789017 LVGBTXUQTGESNO-SFHVURJKSA-N 373.474 2.450 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 96245452 TYKNIRJSZZHQSM-GJZGRUSLSA-N 350.846 2.183 0 40 FEAB COCc1nc([C@@H]2CCCCN2C(=O)C2=Cc3ccccc3OC2)n[nH]1 583785882 YBDWYOSDOVYSPR-HNNXBMFYSA-N 354.410 2.481 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)cs1 248045685 QFGFQEPPKSDLQH-ZDUSSCGKSA-N 362.480 2.158 0 40 FEAB O=C(c1ccncn1)N1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 247859073 LWKRHKCMPOSBSJ-MRXNPFEDSA-N 368.437 2.352 0 40 FEAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(C)=O)C3)o2)c1 257251524 JRCFVXXVEAOZCR-INIZCTEOSA-N 371.437 2.116 0 40 FEAB CNCC(=O)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257235914 HABOMMFEJJLNJQ-UHFFFAOYSA-N 354.458 2.006 0 40 FEAB COCCc1ccc(S(=O)(=O)N2CCc3cccc(C(=O)O)c32)cc1 282218328 NQJUEAFQSLUREZ-UHFFFAOYSA-N 361.419 2.325 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCN2C)n1 284614282 KNLGFXKPSUJZDC-HNNXBMFYSA-N 353.382 2.162 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccc(C(=O)N(C)C)[nH]1 657582107 UEVMVNMPZSLUAZ-KBXCAEBGSA-N 359.474 2.190 0 40 FEAB O=C(Nc1ccc2onc(CN3CCOCC3)c2c1)c1cccnc1O 1775971105 WCOHGXXAXGXQPM-UHFFFAOYSA-N 354.366 2.013 0 40 FEAB COc1c2c(c(CNC(=O)c3ccsc3)c3c1C(=O)N(C)CC3)OCO2 604404386 GBZDTSYKJDNMAL-UHFFFAOYSA-N 374.418 2.044 0 40 FEAB biogenic COc1ccc(F)cc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1 96123395 ISWYYLKRYCFCAO-UHFFFAOYSA-N 355.391 2.183 0 40 FEAB Cc1nsc(N2CCCN(C(=O)c3coc4c3C(=O)CCC4)CC2)n1 294859168 GWHUNQJAQIFCDF-UHFFFAOYSA-N 360.439 2.311 0 40 FEAB Cn1cc(CC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c2ccccc21 96380507 QPCHPIBMLMYZQH-UHFFFAOYSA-N 372.446 2.140 0 40 FEAB O=C(CN1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2)N1CCCC1 585102133 SUHZYFAQLNGUNZ-QFIPXVFZSA-N 369.509 2.309 0 40 FEAB CN(Cc1ccncc1)C(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585280510 JQQDCAJYKALISF-AQNXPRMDSA-N 353.466 2.312 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 585099733 GEZYVYAERKYFRT-UHFFFAOYSA-N 368.437 2.341 0 40 FEAB C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1Cc1ccoc1 585097933 PMYQLDXYKUFDNF-ZDUSSCGKSA-N 357.389 2.431 0 40 FEAB COc1ccnc(N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)n1 1776009557 IPYOVNLMGFPRBI-UHFFFAOYSA-N 355.320 2.342 0 40 FEAB COc1cccc(NC(=O)N2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1 12114410 VLXJLKWPIRIELQ-RTHVDDQRSA-N 356.426 2.475 0 40 FEAB COc1cccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)c1 13632272 WFMVPLVGWXDMON-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1 19554531 UZGVBGJJTPNLBF-INIZCTEOSA-N 351.410 2.429 0 40 FEAB CCc1ncc(CN2CC[C@@](Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1 19739231 WWEHZBLQANXXAL-FQEVSTJZSA-N 371.485 2.331 0 40 FEAB CCNC(=O)c1ccc(CNC(=O)N2CCC(n3ccnc3)CC2)cc1 103303596 DENBKEDYNFBDSV-UHFFFAOYSA-N 355.442 2.180 0 40 FEAB CO[C@@H]1CN(C(=O)CCn2ccnc2C)C[C@]12C[C@@H](c1ccccc1)CO2 643588376 VUICIJUVALLTPP-SFHLNBCPSA-N 369.465 2.382 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1F 5035778 CEKYERSMFQPOQN-UHFFFAOYSA-N 363.370 2.216 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC(=O)O)c1cccs1 13453724 SEOGASJCAMIMFB-NSHDSACASA-N 353.421 2.097 0 40 FEAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc2ccccc2c1 24096896 ZIMGNVNXICGASN-KXBFYZLASA-N 372.446 2.007 0 40 FEAB CCN1CCN(c2ccc(NC(=O)c3c(C)cc(C)n(C)c3=O)cc2)CC1 2037850070 PDGNWLVIOHFDKM-UHFFFAOYSA-N 368.481 2.396 0 40 FEAB Cc1cccc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037984556 FOHUOMXTKPYZLJ-NRFANRHFSA-N 365.433 2.286 0 40 FEAB CC(C)NC(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@@H]12 1565552941 DZDPESWGYRHUFJ-UPJWGTAASA-N 374.407 2.180 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2C1=O 8961555 FCTDZJSUKTVTLW-UHFFFAOYSA-N 368.361 2.230 0 40 FEAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)CC2CCOCC2)CC1 2055751115 JVBINWNELOERHI-UHFFFAOYSA-N 373.497 2.365 0 40 FEAB CCc1ccc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)cn1 2055746451 HMGDRNBHFNRYRV-BCDXTJNWSA-N 350.422 2.386 0 40 FEAB O=c1c2nn(Cc3c(F)cccc3Cl)c(=O)n2ccn1-c1ccccc1 225547078 WNNQKGIUZJHMTK-UHFFFAOYSA-N 370.771 2.488 0 40 FEAB Brc1ccc(N2C[C@H]3CN(c4nncs4)C[C@@H]3C2)nc1 2298178381 JGEYOJRXTUEVPH-UWVGGRQHSA-N 352.261 2.268 0 40 FEAB CN(C)c1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)OCO4)C2=O)cc1 5016705 JNSNIQPVFTWJQJ-HNNXBMFYSA-N 353.378 2.225 0 40 FEAB O=C(NCCc1ccccc1)N1CCN(C[C@@H](O)c2cccs2)CC1 85466940 TVJOBOXKYHVQIA-QGZVFWFLSA-N 359.495 2.351 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc21 103545313 YDXIWVYDLUXKAY-DCAQKATOSA-N 370.858 2.499 0 40 FEAB Cc1ccc(O)c(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 40155554 SXSDMLZHSXKHDD-UHFFFAOYSA-N 373.434 2.353 0 40 FEAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 32103818 SZWIBBWOSDHPLE-CYBMUJFWSA-N 352.346 2.373 0 40 FEAB COC[C@H](C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 20889504 WOEIALVBUGUBDC-ZDUSSCGKSA-N 360.483 2.447 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(CN3CCOCC3)CC2)c1 32935799 NNHURMFDFXVUPL-UHFFFAOYSA-N 352.500 2.036 0 40 FEAB O=C(NCc1nnc2n1CCC2)c1ccc(COc2ccc(F)cc2)o1 22191423 GQBCSANCEVEZSO-UHFFFAOYSA-N 356.357 2.465 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 2800258 PLABZGJPXZBJNC-SNVBAGLBSA-N 366.361 2.195 0 40 FEAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccnc2)cc1 8997470 WLAPAQORIYUFHG-INIZCTEOSA-N 363.381 2.004 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)no1 4512489 UBTSRTZQUPYBRG-CQSZACIVSA-N 371.393 2.135 0 40 FEAB Cc1cc(O)c(-c2ccnc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c23)c(=O)o1 102273506 BEPTXFYJCPXEEL-JTQLQIEISA-N 368.393 2.189 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 107090101 KAHHWESBGFKGNJ-BFYDXBDKSA-N 362.470 2.418 0 40 FEAB CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 56077254 TWJASESGLUHCPZ-UHFFFAOYSA-N 369.874 2.377 0 40 FEAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35360333 DUMVZRGXKCBVNA-OALUTQOASA-N 369.465 2.141 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)OC(C)C 28024368 BPZGMMMGNKQRPC-AWEZNQCLSA-N 353.440 2.033 0 40 FEAB COC(=O)c1cc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)oc1C 12740080 MZYOBUZHIMECHA-HNNXBMFYSA-N 359.334 2.208 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 28687764 IFHOWKFOGHQLOU-HNNXBMFYSA-N 351.450 2.265 0 40 FEAB c1ccc(-n2nnnc2N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 11010814 JMRUOTNQYDMVNN-HNNXBMFYSA-N 364.457 2.364 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCO1 11454696 RWKGIADDBROCJZ-CYBMUJFWSA-N 350.846 2.440 0 40 FEAB Cc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C 3477151 FAXFKBFUMRKILR-UHFFFAOYSA-N 366.244 2.186 0 40 FEAB CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3514105 DSDWQRFOTIFDOR-UHFFFAOYSA-N 367.361 2.497 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)c1 12924369 YIXWKXKKQGRLAU-OAHLLOKOSA-N 350.396 2.295 0 40 FEAB Cc1cccc(-n2ncc(C(=O)N3CCN(c4ncccn4)CC3)c2C)c1 13012223 CRJXXNBWIDVFEA-UHFFFAOYSA-N 362.437 2.242 0 40 FEAB CCOC(=O)[C@H](NCc1nc(-c2cccnc2)no1)c1cccc(O)c1 95466643 IMQPHHUGVLCQSD-MRXNPFEDSA-N 354.366 2.231 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1C 96001772 ZOQXAULSWPJBOG-INIZCTEOSA-N 367.409 2.301 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6522449 VOZRRPISIXYRAI-GDBMZVCRSA-N 371.437 2.408 0 40 FEAB Cc1cc(C)cc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)c(C)s2)c1 6589697 NNIXVQSJHLAFIR-UHFFFAOYSA-N 371.466 2.459 0 40 FEAB O=S(=O)(NC1CC1)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1 4727328 CACYHTUVFNYFHS-UHFFFAOYSA-N 355.379 2.002 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1 6789933 ZZNGBIBRJZOOQT-MRXNPFEDSA-N 361.467 2.132 0 40 FEAB COc1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc(OC)c1OC 15602047 FYUOPFAHCCBHGD-UHFFFAOYSA-N 358.350 2.296 0 40 FEAB CCN1C[C@@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccccc21 7726480 MUGYVIKDHJIPEP-CQSZACIVSA-N 365.455 2.199 0 40 FEAB COc1ccc(C2=NN(C(C)=O)c3ncn(C(C)=O)c3S2)cc1OC 16806968 WXHPPGJOBWNZFW-UHFFFAOYSA-N 360.395 2.381 0 40 FEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)OCO2 8274274 HQBGAYSIULYNQH-HNNXBMFYSA-N 352.346 2.322 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 95993631 OZACKEPRULYSNL-UHFFFAOYSA-N 367.446 2.193 0 40 FEAB Cn1ccnc1[C@H](O)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1 89756782 XPVRHHJCHQCMGR-QFBILLFUSA-N 362.518 2.395 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 306142111 WPTPLYHQMNHJMP-MJGOQNOKSA-N 369.446 2.435 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1)C(=O)OC 36576267 AZAXPLJJQQAZRH-VMGRFDJRSA-N 371.441 2.050 0 40 FEAB COc1ccc(C(=O)NCc2cc3n(n2)CCCO3)c(OC(F)F)c1 520857092 GRSOLUTUKSJZPQ-UHFFFAOYSA-N 353.325 2.206 0 40 FEAB O=C(N[C@@H]1CN(C(=O)[C@]23CCCC[C@H]2C3)C[C@H]1O)c1coc(C(F)F)c1 1025330832 BXPBPDOGZTXMLJ-OFEPTWOUSA-N 368.380 2.099 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)CSc1nc2cc(Cl)ccc2[nH]1 9467310 JUUDZCBUPXQFET-UHFFFAOYSA-N 354.863 2.291 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c(C)o1 306142254 WURNXYLJKUKDBO-OAHLLOKOSA-N 366.425 2.267 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)Cc2ccc(Cl)cc2)CC1 71768162 RRZFJLYQWOSSQC-UHFFFAOYSA-N 363.889 2.215 0 40 FEAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1 40647412 XZNHMFZGAJSGGD-UHFFFAOYSA-N 362.426 2.209 0 40 FEAB O=S(=O)(NCCN1CCCc2ccccc21)c1ccc2c(c1)OCCO2 40135456 DEZOGXMGNRIYFU-UHFFFAOYSA-N 374.462 2.189 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1cc(F)cc(F)c1 49410370 MRSFVVQAZHHAEA-UHFFFAOYSA-N 368.405 2.349 0 40 FEAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 224169190 ISTRSJUJHSIBKI-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB Cc1nc(CN2CCOCC3(CCN(c4ncccn4)CC3)C2)cs1 96239927 RRDBZAAASAHKTQ-UHFFFAOYSA-N 359.499 2.361 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96240844 KZNASEACTZKXOZ-IBGZPJMESA-N 370.493 2.401 0 40 FEAB O=C(c1ccnnc1)N1CCOC[C@@H]1c1csc(NCC2CCC2)n1 96220662 LSLJPKLPXQXKBQ-OAHLLOKOSA-N 359.455 2.359 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3cccnc3)C2)C1 96220681 CACZKMDHAPHSJJ-TZIWHRDSSA-N 352.482 2.447 0 40 FEAB O=C(c1ccncn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 247890054 YJQOQCZJCWPTJZ-INIZCTEOSA-N 368.437 2.352 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 257258682 KVCDKLAEDBWAER-GFCCVEGCSA-N 352.485 2.223 0 40 FEAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 604382179 JFQALEVOTKYULN-NCXUSEDFSA-N 361.873 2.129 0 40 FEAB biogenic,in-vitro C[C@H](Oc1ccc(NC(=O)[C@H]2CCc3ncncc3C2)cc1F)C(=O)O 630260770 OUJYLCSXAJBGAT-QWRGUYRKSA-N 359.357 2.211 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)cc1F 644431105 QFHAEISBCCBAJK-AUUYWEPGSA-N 365.449 2.210 0 40 FEAB C[C@H]1[C@@H](NC(=O)N(C)CC2=CCCOC2)CC(=O)N1Cc1ccccc1 661126518 PBFIKMQIZWEHCP-YJBOKZPZSA-N 357.454 2.164 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2c(OC)ccc3cccnc23)cc1 1191621074 NZQWLDBRYDDTCS-UHFFFAOYSA-N 371.418 2.404 0 40 FEAB CC(C)CC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096275 DZCFRSGIFSSIMW-CQSZACIVSA-N 355.442 2.157 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29506472 FBAGDDQWMJMVEL-HZPDHXFCSA-N 350.459 2.417 0 40 FEAB O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@H]2CCOC[C@H]2C1 1553251018 ZTHRFCBSBPKCPC-HZPDHXFCSA-N 353.422 2.189 0 40 FEAB CCc1ccc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)s1 70922987 SARKNNRIOLEIKI-UHFFFAOYSA-N 366.512 2.295 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)CCC(=O)O 1775963984 MOJJYWLDNBNCNN-QMCVQRASSA-N 358.438 2.041 0 40 FEAB biogenic,in-vitro C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccc(O)cc2)CC1 57406129 FGIGNOZNPJGSLE-INIZCTEOSA-N 351.450 2.492 0 40 FEAB CC(=O)c1cc([C@H](O)[C@H](C)O)ccc1OC(=O)c1ccc2c(c1)OCO2 49180878 BVHCIBPROINFPQ-BBATYDOGSA-N 358.346 2.251 0 40 FEAB biogenic,in-vitro O=C(NCc1ccco1)c1cccc(CN2C(=O)[C@H]3CCCN3C2=O)c1 55045777 LOVZGEJHLNUSJX-MRXNPFEDSA-N 353.378 2.136 0 40 FEAB O=C(COC(=O)c1ccccc1O)NC[C@@H]1CCN(c2ccccc2)C1 50371704 PCGCWPKTUPFCSX-HNNXBMFYSA-N 354.406 2.192 0 40 FEAB COc1ccc(C2(CNC(=O)N3CCC(CO)CC3)CCOCC2)cc1 56963654 OCRRXGUTUTWQTD-UHFFFAOYSA-N 362.470 2.157 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC34CCOCC4)C2)nc1 72312756 BSZQGKGWTJGEPM-CVEARBPZSA-N 357.454 2.384 0 40 FEAB O=C1N[C@@]2(COC3(CCN(Cc4cccnc4)CC3)C2)Nc2ccccc21 12085519 HZJXRPBOLHAKJQ-NRFANRHFSA-N 364.449 2.388 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)Oc2ccccc21 13676876 RCJGUDBRDXQIBH-RDTXWAMCSA-N 374.462 2.481 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Oc2ccccc2)c1 16089950 FBQXNXBFJXKUAI-UHFFFAOYSA-N 350.348 2.028 0 40 FEAB Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2[C@@H]2CCCO2)on1 19122659 SWTNBLHZRCULBI-INIZCTEOSA-N 373.457 2.426 0 40 FEAB CC(=O)N1CCC(c2ccc(C(=O)N(C)Cc3cc(C)[nH]n3)cn2)CC1 19708077 BTWDBWBZLWQOCJ-UHFFFAOYSA-N 355.442 2.111 0 40 FEAB Cn1ccc(CC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)n1 571231266 WXGZXYYUXJTSCR-LLVKDONJSA-N 355.364 2.121 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O 6093523 ODQVFJXXKAEZNS-UHFFFAOYSA-N 374.466 2.277 0 40 FEAB Cc1cc(N2CCN(c3nc(C)nc(C)c3C)CC2)n2nc(C)cc2n1 1888868577 JUESFGLRJFVRDD-UHFFFAOYSA-N 351.458 2.388 0 40 FEAB Cn1cc(-c2cnc(OC3CCN(c4ncc(Cl)cn4)CC3)nc2)cn1 1889148983 KJDJOCFWGJJXQF-UHFFFAOYSA-N 371.832 2.368 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c1 24433290 JJBAWFFVQICJNY-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)nc1 2037984769 NHVMLAVLCPUFRE-APWZRJJASA-N 365.433 2.284 0 40 FEAB O=C(CC1CCOCC1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985627 QATZXZZUYJZYKE-NRFANRHFSA-N 372.465 2.085 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ncc(C)s1 40309425 NLPVAWKCOCZFSQ-GOSISDBHSA-N 370.434 2.389 0 40 FEAB biogenic COc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1C 253473601 WQZDPCPYRMZAST-QGZVFWFLSA-N 372.450 2.315 0 40 FEAB O=C(Cc1ccccc1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 9563020 OMGVCFJASHKOKC-UHFFFAOYSA-N 363.352 2.034 0 40 FEAB c1ccc(-n2nnc3c(N4CC(COc5cccnc5)C4)ncnc32)cc1 1775972665 QHSHHWMHZGBOMV-UHFFFAOYSA-N 359.393 2.121 0 40 FEAB O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)Nc1cccc(Cl)c1 575619224 ITBLOSFFXXIQNG-UHFFFAOYSA-N 371.872 2.379 0 40 FEAB O=C(CC1CCCC1)N1CCN(Cn2ncc3ccccc3c2=O)CC1 30003732 QZCUUYBYRMVZMV-UHFFFAOYSA-N 354.454 2.079 0 40 FEAB COC(=O)c1sc(NC(=O)c2c(C)noc2C)c(C(=O)OC)c1C 40160232 ROTVTVXEEGCWIF-UHFFFAOYSA-N 352.368 2.487 0 40 FEAB CCOC(=O)c1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 40116453 JNTIVYSMNDKZSC-UHFFFAOYSA-N 353.396 2.286 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)NCCc3ccccc3)CC2)C[C@@H](C)O1 31101174 UHDFIFPSMGNMHZ-IAGOWNOFSA-N 373.497 2.287 0 40 FEAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)n[nH]2)c1 51315786 HGAIBZZXLAOLCX-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 32966618 HLFFCZNDFVVLPP-QGZVFWFLSA-N 368.389 2.394 0 40 FEAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCOCC1 3355472 GGOJHDVZKAYHEJ-UHFFFAOYSA-N 350.469 2.101 0 40 FEAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2 4089020 FAWZUOWHYPGPHY-UHFFFAOYSA-N 357.313 2.500 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 4371877 HHCFNYSZKIHTSQ-COPLHBTASA-N 371.340 2.247 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)CCO3)C2=O 23102338 SDBICOMOXXPROJ-HXPMCKFVSA-N 357.410 2.061 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCC1 4935604 FVMCJJNEODUMKA-UHFFFAOYSA-N 359.451 2.105 0 40 FEAB CCOCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 4981244 JIIZZKDIHUMREG-QGZVFWFLSA-N 361.442 2.428 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6205075 LHNHZABCKUWWET-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)N1CCNC1=O 7430691 LRALJLMJRCGAEB-UHFFFAOYSA-N 352.346 2.224 0 40 FEAB C[C@@H](C(=O)NC[C@@H]1CCCOC1)n1c(S)nnc1-c1cccs1 95393899 CQQSJDHNDQJKNT-QWRGUYRKSA-N 352.485 2.399 0 40 FEAB Cc1ccc(S(=O)(=O)C(=CN)S(=O)(=O)c2ccc(C)cc2)cc1 3018957 QEDPKNNUWJCJKU-UHFFFAOYSA-N 351.449 2.309 0 40 FEAB C[C@H](CCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1nnc2n1CCCC2 97162462 MXLJRKVHTYZNHD-ZIAGYGMSSA-N 367.453 2.340 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN=C1c1ccccc1)C(=O)C2 101029616 FMXXEMOFQNKGKA-BEFAXECRSA-N 360.479 2.474 0 40 FEAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 3249363 CIBZIXAOWPLMFU-INIZCTEOSA-N 373.840 2.020 0 40 FEAB CC(C)c1nnc2n1C[C@H](NC(=O)/C=C/c1ccc3c(c1)OCO3)CC2 95393654 KITRPGKTJFGZEL-YOIVXCQUSA-N 354.410 2.275 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCSCC2)c1 58202434 QSLRUUUOHWSDQL-RHSMWYFYSA-N 361.511 2.336 0 40 FEAB CC1CCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)CC1 48274884 UMPAMLVRHAOYKN-UHFFFAOYSA-N 352.504 2.138 0 40 FEAB COc1cc(C)c(S(=O)(=O)Oc2cc(C)ccc2C(N)=O)cc1OC 27967299 PQTKVUPTVWFKAE-UHFFFAOYSA-N 365.407 2.187 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccccc1 22326353 HSHFXXDUGHAYBC-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 95465268 IKCNNFCESGIBMU-QMTHXVAHSA-N 373.858 2.380 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccccc1Cn1cccn1 28794201 NULJYCWEZATLCG-UHFFFAOYSA-N 363.343 2.463 0 40 FEAB CCOCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741230 OOCCCHDRBSGGTG-NSHDSACASA-N 354.476 2.298 0 40 FEAB O=C(CCc1ccc2c(c1)CCO2)N1CCN(CCc2ccccn2)CC1 95480605 KHIHXICLCZPQAV-UHFFFAOYSA-N 365.477 2.336 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C)cc2C)c2ccccc2O1 29767464 KRWHRAKFORJZQQ-SFHVURJKSA-N 354.406 2.222 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCc1ccncc1 95454725 OFBFGHHSPIAEDT-QGZVFWFLSA-N 368.481 2.420 0 40 FEAB CCOC(=O)C1=NN(c2ccc(F)cc2)[C@]2(N3CCOCC3)CCC[C@H]12 12984567 SAUJWPGRQPADBG-VQIMIIECSA-N 361.417 2.393 0 40 FEAB COc1ccc(Cl)cc1-c1n[nH]c(SCCN2C(=O)CCC2=O)n1 12972648 SVZNNLCOQWKUDU-UHFFFAOYSA-N 366.830 2.375 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccco1 12982425 UDXWESCRTPZAST-ZMZPIMSZSA-N 359.357 2.063 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCCCC1 9226272 YDGCHHLYJPKZGX-GFCCVEGCSA-N 374.890 2.418 0 40 FEAB O=S(=O)(Nc1ccccc1)C1CN(c2ccc(C(F)(F)F)nn2)C1 96005011 OTLHIYQHANGATI-UHFFFAOYSA-N 358.345 2.126 0 40 FEAB COC(=O)[C@H](NC(=O)c1ccccc1C(=O)O)c1ccc(OC)c(OC)c1 4547179 YWOVJYFCESYASS-MRXNPFEDSA-N 373.361 2.046 0 40 FEAB CCc1nn2c(=O)cc(CSc3nc4nc(C)cc(C)n4n3)nc2s1 6588385 SUBGQMOBFQACDK-UHFFFAOYSA-N 373.467 2.060 0 40 FEAB Cn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccnc1 9365002 WLOPUPWBWJEVSN-UHFFFAOYSA-N 371.441 2.467 0 40 FEAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(c2ncccn2)CC1 7283466 SOYHXSLXCXSSMO-QPJJXVBHSA-N 360.421 2.024 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccccc2F)cc1 7545116 HYQJWLBFEFGWFC-UHFFFAOYSA-N 364.442 2.161 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ccccn2)CC1 9576069 JZCOIJAQAINDCK-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1 9500392 WDGVCSCFCGNJAW-UHFFFAOYSA-N 350.484 2.408 0 40 FEAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 64947097 CNAMLTKPWHXLIT-UHFFFAOYSA-N 350.421 2.409 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc(F)ccc2OC)cc1OC 20030068 MIVYSVKGKVRPRG-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 70460511 UOUFRTFWWBCVPV-UHFFFAOYSA-N 351.428 2.323 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C)CC3)CC2)cc1 8714308 FKCWXLWUMYVBTQ-UHFFFAOYSA-N 365.499 2.153 0 40 FEAB CCc1nnc([C@@H](C)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)o1 95957551 NYLQSZOPYIBFQG-CYBMUJFWSA-N 374.441 2.168 0 40 FEAB CN1CCN(CCCNC(=O)CSCc2cccc(Cl)c2)CC1 22829344 IFADKUCNKSIKMA-UHFFFAOYSA-N 355.935 2.327 0 40 FEAB COC(=O)c1cc(CNCc2ccc(CN3CCC(O)CC3)cc2)c[nH]1 75108874 MHJGKVXBESCTLU-UHFFFAOYSA-N 357.454 2.048 0 40 FEAB Cc1ccccc1-c1cc(NC(=O)N2CCN(C(=O)C3CC3)CC2)n(C)n1 546612292 RBBAUNVSYPEEBM-UHFFFAOYSA-N 367.453 2.482 0 40 FEAB COc1cc(C)nc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)c1 548010365 AKPYAYHMHBWCMA-GOSISDBHSA-N 360.483 2.401 0 40 FEAB O=S1(=O)CCC(O)(CN2CCC([C@@H](F)c3ccccc3F)CC2)CC1 511127478 VSVPQHIWRYDLTH-QGZVFWFLSA-N 373.465 2.488 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1ccccc1)O2 38832882 KUVLXWYJDCNTKK-KSSFIOAISA-N 374.462 2.399 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 72393888 RUQWSMIOMDXNIN-CQSZACIVSA-N 351.410 2.392 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 223704150 XHMPKGUWRDCQDT-AWEZNQCLSA-N 364.442 2.339 0 40 FEAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccc(F)cc1 75165384 VDCQJQUGUQNYHL-UHFFFAOYSA-N 366.396 2.367 0 40 FEAB COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C 225649584 BADSTLCPYBKKDF-UHFFFAOYSA-N 374.462 2.457 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1 223851165 KHWJOOLURFXVFM-UHFFFAOYSA-N 351.424 2.451 0 40 FEAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2cccs2)c1 225126743 NDUMDDGPAZVHAS-UHFFFAOYSA-N 357.409 2.045 0 40 FEAB Cc1ccc(CN2CCC3(CC2)CO[C@@H](COCC(=O)N(C)C)C3)o1 96105948 PXQZNCHRXFTTDD-QGZVFWFLSA-N 350.459 2.064 0 40 FEAB CN1CCN(C(=O)c2c3c(NCC4CC4)ncnc3n3ccccc23)CC1 96264399 CLHJKFCQVQDFFN-UHFFFAOYSA-N 364.453 2.092 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCc2ccncn2)cc1 583622015 WPNRKGDOPZLJBZ-QUCCMNQESA-N 355.438 2.317 0 40 FEAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(c3ncccn3)C2)C1 96217993 HLWJCHZDEWRISH-YLJYHZDGSA-N 353.470 2.237 0 40 FEAB CN1CCCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 248155264 VJLNLVUXIAWGDB-BQBKMSKFSA-N 354.450 2.211 0 40 FEAB Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)cs1 248029839 LQINQTXUTOTQDF-AWEZNQCLSA-N 368.466 2.427 0 40 FEAB COc1ccc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](Oc4ccccc4)C3)c2c1 257338059 YVPRMTOCEPJGMB-RTBURBONSA-N 352.390 2.441 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)[C@@H]1n1cccn1 664969808 JDRSIGUPNLXPNJ-QWFUGVESSA-N 370.428 2.378 0 40 FEAB Cc1nccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)n1 676022181 YXKSXCKGQDJGFU-INIZCTEOSA-N 368.393 2.117 0 40 FEAB CC[C@H](C(=O)N1CCC(NC(=O)C(C)(C)C(=O)O)CC1)c1ccccc1 567969061 LMSWOMNGIWBYJQ-INIZCTEOSA-N 360.454 2.398 0 40 FEAB CO[C@H]1CCCN(C(=O)/C=C/CN2CCOCC2)[C@H]1Cc1ccc(C)cc1 585290939 JBRCDCLESRRVRC-QSTNGILNSA-N 372.509 2.432 0 40 FEAB O=C(Cc1ccc(F)cc1)Nc1cc(N2CCCS2(=O)=O)ccc1O 56972475 HXRMRMRLXKRJLV-UHFFFAOYSA-N 364.398 2.252 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 103268567 IVSSTPASBVJFEO-LNLFQRSKSA-N 374.529 2.153 0 40 FEAB COc1cc(CNCc2ccnc(N3CCN(C)CC3)c2)cc(OC)c1 78459282 XKGZSACWTWOFQI-UHFFFAOYSA-N 356.470 2.140 0 40 FEAB O=C1C[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 105698162 NQQBCDMIVGTFLZ-FQEVSTJZSA-N 356.422 2.026 0 40 FEAB CCN(CC)C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@H](C)CC4 12132222 FQFCPDNDXYWORL-LLVKDONJSA-N 373.482 2.099 0 40 FEAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)CN2CCCCC2)C1 12158081 QXHARQDMXCMNDF-WBVHZDCISA-N 364.515 2.045 0 40 FEAB Cn1c(CSCc2cccc(Br)c2)cc(=O)n(C)c1=O 12868467 DLTJMRZHYRVLIY-UHFFFAOYSA-N 355.257 2.280 0 40 FEAB CCn1c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 13126033 BGSITPUOUUIGHV-UHFFFAOYSA-N 369.402 2.288 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268234 BKNKMEBHKPVPTI-GOEBONIOSA-N 354.410 2.129 0 40 FEAB Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19238485 YMGCXWZTRCHGNY-SFHVURJKSA-N 368.485 2.113 0 40 FEAB Cn1nc(C2CCN(C(=O)COc3ccccc3)CC2)c2nccnc21 19289415 ZIEPEZZIUXEFIA-UHFFFAOYSA-N 351.410 2.148 0 40 FEAB COCC(=O)N[C@H](c1nc2cc(-c3ccc(OC)cc3)ncn2n1)C(C)C 19451148 ZIAMYSFJWXXDFV-SFHVURJKSA-N 369.425 2.260 0 40 FEAB COc1ccc(OCC(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)cc1 19556743 WANPXGYMJAXXLK-INIZCTEOSA-N 366.377 2.493 0 40 FEAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2cccnc2)cc1 19581463 VNMUUQHZIZRKEX-UHFFFAOYSA-N 361.405 2.170 0 40 FEAB Cc1cc(C)nc(N2CCC(CC(=O)N(C)Cc3nonc3C)CC2)n1 19748180 BIQJYAVGFYAGJD-UHFFFAOYSA-N 358.446 2.050 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3ccoc3Br)C[C@@H](C)O2)o1 619286131 BDGRBCGUEZUOGX-GMSGAONNSA-N 356.176 2.336 0 40 FEAB Fc1c(C2CC2)ncnc1N1CCN(c2ncnc3cnccc23)CC1 1888876369 RLPAOQLKETYIQQ-UHFFFAOYSA-N 351.389 2.158 0 40 FEAB O=S(=O)(c1ccccc1F)N1C[C@@H]2CN(c3nccs3)C[C@@H]2C1 1888885499 NALWWJROQCZWIR-TXEJJXNPSA-N 353.444 2.039 0 40 FEAB CSc1ncc(Br)c(=N[C@@H]2CCN(C3CCOCC3)C2)[nH]1 1889072775 FPAPTRQEOWQOCU-SNVBAGLBSA-N 373.320 2.048 0 40 FEAB COc1cc2ncnc(N3CCC[C@@H](NC(=O)C4CC4)C3)c2cc1OC 1889125014 OVXSXNZPCIFWES-CYBMUJFWSA-N 356.426 2.142 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 21559297 ASEAHELUTPASFH-BEFAXECRSA-N 358.394 2.014 0 40 FEAB CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 20547439 SWAVBAKWHMVXME-KRWDZBQOSA-N 359.470 2.122 0 40 FEAB O=C([C@H]1CCOC1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1565556020 UQFVYKGWEBPVAG-INIZCTEOSA-N 360.429 2.346 0 40 FEAB O=C(C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1c[nH]c2ccccc12 4163072 BDYVZZSVZPMXQS-KGLIPLIRSA-N 361.401 2.158 0 40 FEAB C[C@@H](NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12)c1ccccc1 10254207 ZYWFIPZMOJCUSB-LLVKDONJSA-N 351.362 2.348 0 40 FEAB Cc1nccn1-c1ccc(N2CCN(c3nc4ccccc4o3)CC2)nn1 2086867312 GVWFSELRSKIJJC-UHFFFAOYSA-N 361.409 2.439 0 40 FEAB CSc1nccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298048797 ACTWFHIQFMKWSM-UHFFFAOYSA-N 370.482 2.269 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2CCCN(CC(F)(F)F)CC2)c1 76198604 SQAOKXXKPMWBOK-UHFFFAOYSA-N 372.391 2.154 0 40 FEAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 32636526 RPZOYQJZCRGSGR-HXUWFJFHSA-N 357.454 2.188 0 40 FEAB COCCN1C(=O)c2ccc(C(=O)OCC(=O)c3cccs3)cc2C1=O 30768975 HFENDRXMAXUBMF-UHFFFAOYSA-N 373.386 2.030 0 40 FEAB COc1ccc(OCCNC(=O)NCc2cccnc2-n2ccnc2)cc1 31122027 FBGLLGYDNVBZRG-UHFFFAOYSA-N 367.409 2.154 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(CNC(N)=O)cc1 20915694 ZOLHHPGWEBUHSN-UHFFFAOYSA-N 356.382 2.074 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 101869102 OGISUJLMBGULDJ-SRVKXCTJSA-N 362.455 2.015 0 40 FEAB CC1(C)NC(=O)N(CCOC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)C1=O 103102088 XUUZGMZPEPGULD-SKLAPFLYSA-N 368.861 2.438 0 40 FEAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2cccs2)NC(=O)N3)cc1 12346873 CPXSIFALEQEFSB-QGZVFWFLSA-N 369.446 2.450 0 40 FEAB COc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 8945667 GNDBGUCBKAHQFN-UHFFFAOYSA-N 356.382 2.069 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1ccc(-n2cccn2)cc1 104083808 SITWVFMTLTWBOV-CALCHBBNSA-N 367.405 2.091 0 40 FEAB Cc1nc2nn(Cc3ccccc3)cc2c(=O)n1CCN1CCCCC1 6320402 BRBFIPYILKHQHI-UHFFFAOYSA-N 351.454 2.436 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccccc1Br 6415623 BLHOBQKCVRVHDC-ZAZJYDDPSA-N 352.184 2.432 0 40 FEAB CCn1nnc2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)ccc21 23656403 IPILBRDCOWQRSW-LJQANCHMSA-N 367.453 2.493 0 40 FEAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 12533740 YWILISLEKCXBRP-OAHLLOKOSA-N 354.406 2.286 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 24594474 UVSMMPYLWMUVST-INIZCTEOSA-N 371.481 2.491 0 40 FEAB CCc1c(C(=O)NCCNC(=O)c2ccco2)cnn1-c1ccc(F)cc1 24789687 WPFSHGBZUVDDSH-UHFFFAOYSA-N 370.384 2.327 0 40 FEAB C[C@@H](NC(=O)NC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 106522158 BOABYMUYASKSGQ-ORIJERBGSA-N 368.437 2.047 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)c(Cl)c1 56099755 LYUANRAIGBWZNS-ZDUSSCGKSA-N 366.874 2.386 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)Cc2c(Cl)cccc2Cl)n1 12692825 SOXJBRKRYWETSL-UHFFFAOYSA-N 356.213 2.113 0 40 FEAB CN1CCN(c2ccc(NC(=O)CCC(=O)c3ccccc3)cn2)CC1 12612693 NXNMHEBFHYFQBT-UHFFFAOYSA-N 352.438 2.435 0 40 FEAB COc1cc(OC)cc([C@@H](NC(=O)c2ccncc2)c2nccn2C)c1 48230316 KYZREXIIVATUGD-QGZVFWFLSA-N 352.394 2.352 0 40 FEAB CC1CCN(c2nnc(S[C@@H]3CCOC3=O)n2C[C@H]2CCCO2)CC1 95349062 HOKCDJFYQVXPKA-ZIAGYGMSSA-N 366.487 2.101 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2nccn2C)C2CC2)cc1 58210916 QQBHLKSTSACGMF-UHFFFAOYSA-N 362.455 2.122 0 40 FEAB O=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 58224186 RSRRLPPJVHMJHC-MDWZMJQESA-N 356.447 2.457 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O 3379769 LWPWHDZHEOTSDO-UHFFFAOYSA-N 374.437 2.448 0 40 FEAB COc1ccc(C(=O)N(C)Cc2nnc3ccccn23)c(OC)c1OC 58343242 ZQQJQMTWVYPCSE-UHFFFAOYSA-N 356.382 2.027 0 40 FEAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1CN1C(=O)CNC1=O 10641752 MIEIDGOXQZXKJN-UHFFFAOYSA-N 367.449 2.437 0 40 FEAB Cc1ccc(CN(C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(C)c1 12982576 ZARGRWISTICXTI-LJQANCHMSA-N 367.449 2.015 0 40 FEAB O=C(CN1CCCCCCC1)NCc1ccccc1CN1CCOCC1 12927364 WHFMCLGDTYUHDX-UHFFFAOYSA-N 359.514 2.401 0 40 FEAB C[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 12989117 YRYVNBWNEMTNEP-SJCJKPOMSA-N 373.840 2.270 0 40 FEAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)cn1 13070606 DMOJVANAPMEXGO-UHFFFAOYSA-N 363.439 2.014 0 40 FEAB CCOC(=O)CC[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(F)cc1 95438378 KMWMAOKPHXRKNP-MRXNPFEDSA-N 364.417 2.166 0 40 FEAB COCCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49546423 WEOIYBZPFWJADJ-UHFFFAOYSA-N 351.406 2.216 0 40 FEAB Cc1cc(OCC(=O)N2CCC[C@H](C(=O)O)C2)c2c(C)cc(=O)oc2c1 9134273 ZALVIOXCKVLTLF-ZDUSSCGKSA-N 359.378 2.112 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](O)CC(C)C)cc2)c1C 84800512 JBCUDOQCIKBTGP-KRWDZBQOSA-N 373.453 2.494 0 40 FEAB O=C(Nc1nnn[nH]1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 6342129 HUZVPELTSMIEMJ-UHFFFAOYSA-N 360.333 2.396 0 40 FEAB COc1ccccc1NC(=O)Cc1noc(CSc2nncs2)n1 14139564 SSAGPMSYMSQSNK-UHFFFAOYSA-N 363.424 2.403 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@@H]1C(N)=O 9315162 MGMXGHRUBDUXHX-CYBMUJFWSA-N 354.248 2.036 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CCn3nnc4ccccc4c3=O)sc2C1 9335937 QYPLGWAEYCPBJS-LLVKDONJSA-N 369.450 2.402 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3sccc3C)nc2c1 7133268 BRUGKTDMIDHBSK-UHFFFAOYSA-N 358.375 2.437 0 40 FEAB Cc1nc(C)c(CCC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(=O)[nH]1 68048830 XPJJKEAHLRTHMD-HNNXBMFYSA-N 359.430 2.093 0 40 FEAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cnc2sccn2c1=O 16102238 BUJKHMUTRVPVKB-UHFFFAOYSA-N 368.462 2.282 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1 7982439 WRKAHYXEVBXGOJ-GFCCVEGCSA-N 371.393 2.170 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2F)c1 8355371 SLRPXJWACNREQR-GFCCVEGCSA-N 360.385 2.450 0 40 FEAB O=C(COc1cccc(C(F)(F)F)c1)N1CCOC[C@@H]1c1ncon1 95981454 LPQAHXGWFKEANO-GFCCVEGCSA-N 357.288 2.067 0 40 FEAB CCCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n[nH]c1=O 17231641 JIMUGVTXBYINDR-LLVKDONJSA-N 374.466 2.254 0 40 FEAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(O)cc1F 95993000 APUIIKIGIVNANX-GOSISDBHSA-N 362.376 2.474 0 40 FEAB Cc1[nH]c(=O)ccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 84028817 ZQJDHDPHDPTAEC-UHFFFAOYSA-N 351.859 2.356 0 40 FEAB NC(=O)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 33008599 IKYXCWMVOUHGQV-UHFFFAOYSA-N 354.406 2.238 0 40 FEAB Cc1c(C(=O)N2CCn3c(nnc3[C@@H]3CCCN3)C2)oc2ccccc12 72373946 SERLMKVOEYLENP-AWEZNQCLSA-N 351.410 2.413 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CC)cc1Cl 408598151 XLXITERLJXSQSB-GHMZBOCLSA-N 362.879 2.320 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)CCCc2nnc3ccccn23)n1 72402449 IDZYVWWPJCHRGQ-UHFFFAOYSA-N 373.438 2.253 0 40 FEAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393285 QFRAMPTZRVRJLA-ROUUACIJSA-N 361.486 2.477 0 40 FEAB COc1ccccc1-n1c(C)nc2c(cnn2CN2CCCCC2)c1=O 31771744 QSFNGPWRCSBUMD-UHFFFAOYSA-N 353.426 2.343 0 40 FEAB O=C(NC1CCCCC1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022670 GSULQEFEWMAHQW-UHFFFAOYSA-N 354.458 2.328 0 40 FEAB C[C@@H](CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccco1 527795892 DXNVTDXGJGDGQY-AWEZNQCLSA-N 370.405 2.487 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1 225102094 DIHQSGNMZIKYQE-UHFFFAOYSA-N 358.489 2.301 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H](CO)C1 44831693 UINDULZNDFPHNC-INIZCTEOSA-N 364.442 2.484 0 40 FEAB Cc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccccc1 40391015 UHJAVZDDIORPBL-UHFFFAOYSA-N 371.404 2.380 0 40 FEAB Cc1n[nH]c(SCCNC(=O)c2sc(-c3cccnc3)nc2C)n1 225859104 HIDKNPJVYHCLNG-UHFFFAOYSA-N 360.468 2.462 0 40 FEAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96042862 WSVMSEOPKJGMPP-KFKAGJAMSA-N 355.438 2.013 0 40 FEAB c1csc(CN2CCO[C@@]3(COCCN(c4nccs4)C3)C2)c1 96076869 ZRAMUZDYSSPSIO-INIZCTEOSA-N 351.497 2.312 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241387 JQIKBMWVNVWZAN-UHFFFAOYSA-N 365.433 2.249 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)NCc1ccccn1 96206398 ITLDMLKTVDGWFV-APWZRJJASA-N 357.479 2.298 0 40 FEAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 96058469 RBCHKDGWZFZAAZ-RBUKOAKNSA-N 360.479 2.457 0 40 FEAB O=C(N[C@@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1ccc[nH]1 96079884 KDXJLHJGYOSELZ-QGZVFWFLSA-N 355.438 2.095 0 40 FEAB O=C(c1cccc(F)c1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247824914 ISIMAJDVZQMXPC-AWEZNQCLSA-N 356.401 2.349 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257276197 NSTFDVRJGZSQSE-SFHVURJKSA-N 354.454 2.230 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)CCc2ccccc2C1 85560459 TYGBYYVNLGGHAC-NRFANRHFSA-N 356.466 2.029 0 40 FEAB C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 253617456 NTTRGAIOMZIGLW-HXQKBIPWSA-N 364.482 2.006 0 40 FEAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2cccc(-c3cc[nH]n3)n2)C1 257200854 AFCVDASPVPGLQU-SFHVURJKSA-N 370.453 2.457 0 40 FEAB COc1ccc(CC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cc1 257297810 RIWMFQRQWUWIDF-GOSISDBHSA-N 354.454 2.419 0 40 FEAB CC[C@H]1CCCCN1CCNC(=O)Cc1ccnc(O)c1Br 277955373 JZRHAQPDZJUOEJ-ZDUSSCGKSA-N 370.291 2.473 0 40 FEAB C[C@@H](C(=O)N[C@H](C)C1CCN(C(=O)COCC(F)F)CC1)c1ccco1 1775990866 HTZZKCTUHQNGFZ-CHWSQXEVSA-N 372.412 2.408 0 40 FEAB CN1C(=O)C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)[C@H]1c1ccccc1 604419036 OASJJQSFURNHQB-MLGOLLRUSA-N 356.451 2.325 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)N(C)C)C1=O 25331729 HNQCHDPVVMODHL-XJKSGUPXSA-N 373.478 2.281 0 40 FEAB COc1cccc(CC(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)c1 623173459 GZWPDBNHKCUHSM-MLGOLLRUSA-N 357.410 2.487 0 40 FEAB Cc1cc(=O)n2ccn([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2n1 642486632 FBOOSEPIWFQDKJ-INIZCTEOSA-N 372.375 2.446 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](Cc1ccncc1)C(=O)O 655598400 CWACIXZTRZHBKF-GFCCVEGCSA-N 353.300 2.230 0 40 FEAB O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CC2CC1(C(=O)O)C2 659179780 XYZFKDNJJYVULT-UHFFFAOYSA-N 358.375 2.228 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 663228215 TTYZBPWFQKJDSB-DLBZAZTESA-N 356.422 2.480 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C)cc2C)CC1 25774104 FJCZNONJKMQKFW-UHFFFAOYSA-N 352.500 2.324 0 40 FEAB O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1 685940277 CDLISTMCJSRNSL-GGPWXBTFSA-N 358.373 2.041 0 40 FEAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)C1 92569582 XJNXCQFHAHYUAZ-LZQZEXGQSA-N 372.490 2.484 0 40 FEAB O=C(NCC1(O)CSCCSC1)c1ccccc1Br 1888857188 FNMHWOXPEBDIST-UHFFFAOYSA-N 362.314 2.390 0 40 FEAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 5799376 PGMCAQXJGRLJTN-UHFFFAOYSA-N 369.855 2.114 0 40 FEAB CCN(CC)C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@@H](C)CC4 12132227 FQFCPDNDXYWORL-NSHDSACASA-N 373.482 2.099 0 40 FEAB CC(C)(C)N1C[C@@H](C(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)CC1=O 12219843 MPZOHYCBCWFFOK-KBPBESRZSA-N 369.469 2.311 0 40 FEAB CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 15831871 AQVKSOATIGIMKH-SFHVURJKSA-N 358.438 2.411 0 40 FEAB COc1ccc(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 16028742 JHNDYDHNIKYTGK-DLBZAZTESA-N 352.434 2.435 0 40 FEAB biogenic NCCn1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 19348802 IJTZBSMQDSVKRN-CQSZACIVSA-N 356.861 2.428 0 40 FEAB CCCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12347057 ZLDSTQHFEZDKRL-QAPCUYQASA-N 371.437 2.105 0 40 FEAB O=S(=O)(CCOc1ccccc1)NCc1ccccc1-n1ccnc1 19373563 VJPMRMVQOBEQSP-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB C[C@@H](Sc1nncn1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 9905271 YUQXVMYALLJATN-CQSZACIVSA-N 357.483 2.442 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccccc1F 5117883 SJXJCBRAMCZWHR-UHFFFAOYSA-N 367.354 2.400 0 40 FEAB Cc1cc(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C2CC2)nn1C 1687962075 VQHBQZCYPSXNAJ-CUSZFKRNSA-N 358.486 2.179 0 40 FEAB O=C(c1cc(Br)ccc1Cl)N1CC(N2C(=O)CCC2=O)C1 238878230 OPHAEZQWLGOTTO-UHFFFAOYSA-N 371.618 2.076 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4cc[nH]c4)C[C@@H]32)CC1 1565545855 MVQNERJTCLATHX-NVXWUHKLSA-N 351.454 2.453 0 40 FEAB O=C(c1cccc(F)c1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565548953 JLTOJDDGQOOWLN-UHFFFAOYSA-N 357.433 2.449 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2ccccc2)C1 4359869 CAWBUHMOLHLLAQ-AWEZNQCLSA-N 353.378 2.020 0 40 FEAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NCc1ccccn1 11793808 AYHSHFNTTDMWRL-UHFFFAOYSA-N 371.466 2.409 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)(C)C)C1 2055746520 ROHGPUYIAGGQCG-LJQANCHMSA-N 365.449 2.017 0 40 FEAB O=C(Cn1ccn(C2CCCCC2)c(=O)c1=O)Nc1ccc(F)c(F)c1 1775970134 CNISGSDOKPLFQJ-UHFFFAOYSA-N 363.364 2.432 0 40 FEAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)o1 4268620 DAQHXLVCWHWNOW-UHFFFAOYSA-N 364.361 2.319 0 40 FEAB Cc1cc(NC(=O)COC(=O)C2(O)c3ccccc3-c3ccccc32)no1 10233280 WKHZPTPVJOIBGH-UHFFFAOYSA-N 364.357 2.381 0 40 FEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)c1ccc(-c2ccccc2)cc1 75155394 KIBBWDZSLZRIKY-HXUWFJFHSA-N 365.389 2.304 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NCCN3CCc4ccccc4C3)ccc21 31339094 IQHYGHCTQDHLOI-UHFFFAOYSA-N 363.461 2.384 0 40 FEAB O=C(CCCc1nc(-c2cccs2)no1)NCc1nnc2ccccn12 32489005 PAEFRFWIQWXUPY-UHFFFAOYSA-N 368.422 2.480 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 32855928 OTIOOTNUTSTYMV-OAHLLOKOSA-N 371.524 2.324 0 40 FEAB COc1ccc(CCNC(=O)NC[C@H]2COc3ccccc3O2)cc1OC 32862764 APLSQCNBUKZXCA-HNNXBMFYSA-N 372.421 2.386 0 40 FEAB CC(=O)N[C@H](CC(=O)N1CCN(Cc2cccnc2)CC1)c1cccs1 32882468 KHJMAMDGUKGCFK-QGZVFWFLSA-N 372.494 2.055 0 40 FEAB CN(C)c1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cn1 32883915 PMMGEDIMGQZSBZ-UHFFFAOYSA-N 352.394 2.049 0 40 FEAB CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1 32970907 WCIGDGOEHIJSLX-CQSZACIVSA-N 356.451 2.028 0 40 FEAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1=NN(c2ccccc2)C(=O)CN1 32979450 WATYXHHQVRDGET-UHFFFAOYSA-N 366.465 2.269 0 40 FEAB O=C(CN(Cc1ccccc1)C(=O)[C@@H]1CSC(=O)C1)NC1CCCC1 1328301 LMIDSGHMFKEUHT-HNNXBMFYSA-N 360.479 2.354 0 40 FEAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1 2928147 RAWJSAYYXJOIBK-UHFFFAOYSA-N 362.407 2.389 0 40 FEAB COC(=O)C(C)(C)NC(=O)CCc1ccc(OC)c(Br)c1 23176796 VJEHIVNDTZLLRR-UHFFFAOYSA-N 358.232 2.458 0 40 FEAB COc1cccc(OCc2nnc(SCCc3ccncc3)n2N)c1 23139045 OMWCVFBVMZSRPI-UHFFFAOYSA-N 357.439 2.309 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c(C)c1 4585941 FSSGKFGRUUNGAF-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(OC)c(OC)c1 7553303 LTRKWSCXHNNHIO-LBPRGKRZSA-N 356.831 2.323 0 40 FEAB CCOCCCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10356994 QRNHWORNFGAHDW-UHFFFAOYSA-N 370.515 2.392 0 40 FEAB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 8082520 XFFAPYHACILTAN-UHFFFAOYSA-N 352.387 2.060 0 40 FEAB COc1ccc(C)cc1NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 106391327 JPPNBDPPSZJOIT-HNNXBMFYSA-N 367.405 2.473 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55454525 JMDCZCVNHUOHPW-RHSMWYFYSA-N 362.445 2.152 0 40 FEAB O=C1C=C(N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1 1441831 DFTYOHMCJQRUKD-UHFFFAOYSA-N 368.824 2.314 0 40 FEAB CCCn1nc(C(=O)N(Cc2cc(OC)ccc2OC)C2CC2)ccc1=O 25806023 PAIOMUFSRUNHPQ-UHFFFAOYSA-N 371.437 2.475 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 35485443 CXAZEADRWYTSEP-KXBFYZLASA-N 351.450 2.461 0 40 FEAB CCCN(CCC)C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507259 NETDBXANKXGHJC-UHFFFAOYSA-N 368.441 2.283 0 40 FEAB O=C(O)CCCCCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 95956951 NFWOAKLUKUUBQX-UHFFFAOYSA-N 364.486 2.470 0 40 FEAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCCN(C)c2ccccc2)c1 25079426 WDLNROAOQTUENL-UHFFFAOYSA-N 361.467 2.233 0 40 FEAB COCCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)cc1Cl 44641343 JETRFBMGMYPFMT-SECBINFHSA-N 354.255 2.059 0 40 FEAB CCOC(=O)C(NC(C)=O)(C(=O)OCC)[C@@H](C)c1c[nH]c2ccccc12 2024440 VXEBNJANHLTKAY-LBPRGKRZSA-N 360.410 2.273 0 40 FEAB biogenic O=C(/C=C/c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2125086 YVDSSLWUAOYAIG-KJKYUDHTSA-N 364.401 2.236 0 40 FEAB Nc1nccnc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 58433634 KWNGBCHKMVYDSF-UHFFFAOYSA-N 358.405 2.387 0 40 FEAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1cccc(Cl)c1 2333494 VYXBPRIYKZRQMR-CYBMUJFWSA-N 360.797 2.215 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2cccc(F)c2)c2ccccc2O1 11202912 ROHSJCXOWDCJRM-GOSISDBHSA-N 372.396 2.225 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619462 OIZLCNPRHCNVAW-UHFFFAOYSA-N 361.409 2.072 0 40 FEAB COc1ccc2ccc(OC)c([C@@H]3NC(=S)NC(C)=C3C(N)=O)c2c1 2480157 ZHTGWEHMCWRQHR-MRXNPFEDSA-N 357.435 2.135 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3ccc(C)cc3)n2)CC1 36833816 OVQAPZIVQAWDEV-AWEZNQCLSA-N 371.441 2.011 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCCc1ccccc1 3592913 KWHZVYMMTFGHSD-UHFFFAOYSA-N 357.454 2.380 0 40 FEAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)c1 5002431 IBNZLSYREWPIQH-AWEZNQCLSA-N 350.440 2.367 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc(C)cc2)c1C 5212066 ICJRKOKJIFJXLG-UHFFFAOYSA-N 358.394 2.200 0 40 FEAB O=C(NCCCNC(=O)c1cc2ccccc2oc1=O)c1cccc(O)c1 65475609 UZGHJCQSLVPKER-UHFFFAOYSA-N 366.373 2.049 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1 14018785 HLVDPUKUZYFTRO-UHFFFAOYSA-N 363.395 2.075 0 40 FEAB COc1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)c(OC)c1 5324385 RUWJGYKFHBKJDJ-UHFFFAOYSA-N 368.393 2.228 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccncc2)N=C1O 9422071 LVJCLIPMMAFJCI-YOEHRIQHSA-N 366.421 2.364 0 40 FEAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 14235011 RSMCVCONYMMFKW-UHFFFAOYSA-N 373.409 2.387 0 40 FEAB O=C1CN(C2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63367814 NHHNVIFGYCMSMZ-CVEARBPZSA-N 368.886 2.097 0 40 FEAB Cc1nc2sc(C(=O)OCC(=O)NCc3ccccc3)c(C)c2c(=O)[nH]1 6589270 PPSSZEPIQLWNQO-UHFFFAOYSA-N 371.418 2.075 0 40 FEAB O=C(COc1ccccc1)NC(=S)Nc1ccccc1N1CCOCC1 4688545 FJDHVLWNNMERDU-UHFFFAOYSA-N 371.462 2.415 0 40 FEAB O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NO[C@H]2C(=O)N1CCc1ccccc1 6669435 BDOHGGDSNIMAIJ-AZUAARDMSA-N 374.396 2.445 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 14890719 JOJNEIJOLPUBIC-UHFFFAOYSA-N 351.878 2.459 0 40 FEAB O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 66812590 PLNLCQKAYGZRSF-LLVKDONJSA-N 371.821 2.097 0 40 FEAB Cc1cccc2nc(CSc3nnc(C(F)(F)F)n3C)cc(=O)n12 7293907 XGKZLXYKDPEQFE-UHFFFAOYSA-N 355.345 2.443 0 40 FEAB CCCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)n[nH]c1=O 7219444 WJBBLPIKNGKENC-UHFFFAOYSA-N 366.418 2.444 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)c1cc(=O)[nH]c2ccccc12 16045604 IHZSTGPFYNUKOR-UHFFFAOYSA-N 369.446 2.368 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1F 8034151 QSSYEKLAAYBHAA-UHFFFAOYSA-N 365.361 2.032 0 40 FEAB COc1cccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 16600693 HFZCWASLFLEDOL-CYBMUJFWSA-N 374.462 2.336 0 40 FEAB O=S(=O)(Nc1cncnc1-n1cccn1)c1ccccc1C(F)(F)F 95944071 GOHCVENTDOUBBM-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB O=C(COc1ccccc1)NCCCNC(=O)c1cc2ccccc2[nH]1 8404360 JJOSUBSUVSXKJB-UHFFFAOYSA-N 351.406 2.483 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSC3=N[C@@H]4CCCC[C@H]4N3)nc2c1 9478037 SQDSGKHIVOCLCR-CHWSQXEVSA-N 372.450 2.213 0 40 FEAB CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 173548131 NLHXFFITXYGZKG-UHFFFAOYSA-N 351.453 2.239 0 40 FEAB O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 56906518 SJNWJXYOQIZYMU-LBPRGKRZSA-N 374.340 2.435 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 225183137 SMZMHGVSWFOVRU-HNNXBMFYSA-N 356.422 2.237 0 40 FEAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1S(N)(=O)=O 29509168 OJCXDLZFHCMCBW-JTQLQIEISA-N 368.842 2.487 0 40 FEAB O=C(NCc1ccccc1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975128 HXDCXDTYKORMRU-UHFFFAOYSA-N 358.357 2.207 0 40 FEAB CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn3ccccc3n2)C1 502496142 QXFKBAXEZOTSPT-DGCLKSJQSA-N 354.332 2.006 0 40 FEAB COc1ccc2c(c1)C[C@H](C(=O)Nc1cnccc1-n1cccn1)CO2 505893201 MXGGTJXBJMNIRL-AWEZNQCLSA-N 350.378 2.466 0 40 FEAB CS(=O)(=O)Cc1nc(CN2CCCc3c(C(=O)O)cccc32)cs1 561274379 YQVUVHSREMVYFR-UHFFFAOYSA-N 366.464 2.339 0 40 FEAB COc1ccccc1CCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 36357227 JQGUZCBLWYUNTK-UHFFFAOYSA-N 353.382 2.251 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218410710 QQPZBFLRJJWFDG-MOPGFXCFSA-N 360.475 2.468 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 40104244 UZZKROYDWZTZFE-NEPJUHHUSA-N 361.398 2.213 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(C)=O)cc1 226401322 FVFJOIYTKDVNGT-KSCVBYKOSA-N 366.417 2.059 0 40 FEAB O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1ccc2c(c1)OCO2 96239027 UHJJWYBQRBSQQG-FQEVSTJZSA-N 351.406 2.439 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 96344025 ZMQOHUOPQWIUIP-AWEZNQCLSA-N 364.405 2.241 0 40 FEAB CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2C(C)=O 96263290 TWAZXXMQZBPCBC-UHFFFAOYSA-N 352.438 2.250 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc21 96111913 DYWOPQFWZLMJLB-HOCLYGCPSA-N 352.390 2.414 0 40 FEAB biogenic,in-vitro COC[C@H]1CN(C(C)=O)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 247941866 NMBQWSJAMFAHII-QGZVFWFLSA-N 360.454 2.122 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccs2)C1 248171418 SFLJNXXWWWVPBJ-GOEBONIOSA-N 356.513 2.206 0 40 FEAB Cc1nc(C[C@@H]2CCCN(c3ccc(F)cn3)C2)cc(C(=O)N(C)C)n1 257227229 FOFHQQYBAYHWHI-AWEZNQCLSA-N 357.433 2.480 0 40 FEAB CC(=O)N1CCCC[C@@H]2CN(C(=O)c3cccc4c3OCCO4)CC[C@H]21 257317173 VIRFZPFZOHDYSC-NVXWUHKLSA-N 358.438 2.321 0 40 FEAB CCCn1cc(S(=O)(=O)N2CCC3(CC=CCOC3)CC2)c(C)n1 257283471 OYMJRSZEJBKXDS-UHFFFAOYSA-N 353.488 2.349 0 40 FEAB Nc1cnc(C[C@H]2CCCN(C(=O)COc3ccccc3F)CC2)cn1 257312512 UOHZXIJOWFYOLB-AWEZNQCLSA-N 358.417 2.448 0 40 FEAB CCc1nccn1CCC(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257331785 XUGJABGZEJGFMA-UHFFFAOYSA-N 354.458 2.119 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257293016 QNUYDBXRDYDFBN-HNNXBMFYSA-N 350.426 2.381 0 40 FEAB Cc1ccnc(OCC[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253477253 DTBHPYHSISHYDP-AWEZNQCLSA-N 361.471 2.399 0 40 FEAB Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4nccnc4N)C3)c2n1 257235697 GYYXKWJFRHNECA-HNNXBMFYSA-N 351.458 2.173 0 40 FEAB O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CC[C@@H](C(=O)O)NC1 630700621 CKZASLIOZWEUBA-GWCFXTLKSA-N 356.344 2.264 0 40 FEAB Cc1cnc(N2CCC[C@H](NS(C)(=O)=O)C2)nc1-c1ccccc1F 645033165 DXOYUDBKDQXYLY-ZDUSSCGKSA-N 364.446 2.109 0 40 FEAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCOc3cc(O)ccc3C1)C2 672242887 RSAAJPNTSZZEPV-HNNXBMFYSA-N 355.390 2.373 0 40 FEAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(S(N)(=O)=O)o1 298885090 VKUWPFIUTVMIQK-ZDUSSCGKSA-N 351.428 2.023 0 40 FEAB C[C@]1(C(=O)NCCO)CCCN1Cc1ccc(OCc2ccccn2)cc1 585271112 QWBHHRQFSDMQQQ-OAQYLSRUSA-N 369.465 2.124 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585271986 JMEWMKFFFPIQFY-FQEVSTJZSA-N 351.406 2.009 0 40 FEAB C[C@@H](O)c1ccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 65501349 UTJNFAWWDKQKFR-CQSZACIVSA-N 373.453 2.001 0 40 FEAB Cc1ccnc2nc(C(=O)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)nn12 505798605 DZKOUQLMHXWGPN-AWEZNQCLSA-N 357.336 2.005 0 40 FEAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)c1ccccc1 12789009 UXONJWBETROGSI-CXAGYDPISA-N 353.374 2.363 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580520 VSBMFEHKPNCYFH-OLZOCXBDSA-N 372.462 2.150 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cccc(OC)c1 14032916 IQQUNMYHLKMBPU-AWEZNQCLSA-N 359.451 2.168 0 40 FEAB O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)cc1 15675034 NAGUKWJAVBPARZ-ZBFHGGJFSA-N 366.377 2.138 0 40 FEAB biogenic,in-vitro CCOC(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19529452 VEIGSMDGGYKDCV-HNNXBMFYSA-N 360.454 2.246 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(CC2CCCCC2)CC3)C1 19709469 VJKQRKITDAXFPJ-SFHVURJKSA-N 359.518 2.442 0 40 FEAB Cc1cnn(CC(=O)N2CC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)c1 19747898 PJGUKCNVYVNEAG-MRXNPFEDSA-N 374.872 2.052 0 40 FEAB CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929807 JOZSZBYUDQPGNT-UHFFFAOYSA-N 368.499 2.273 0 40 FEAB O=C(CCc1cccnc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586093 ZEVLAVATHLBNBY-SFHLNBCPSA-N 352.434 2.160 0 40 FEAB COCc1cn([C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1 585149629 DSNDPAFAFAROEL-OAHLLOKOSA-N 368.359 2.459 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccccc1F 5291393 MPNRDQAVVRXPMZ-FQEVSTJZSA-N 368.364 2.478 0 40 FEAB Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 6497129 MRDIEWDTVAHDKP-UHFFFAOYSA-N 365.480 2.491 0 40 FEAB CN(C1CN(c2ccccn2)C1)S(=O)(=O)c1cccc2cccnc12 1888906324 GDOQGWZMVDVFAU-UHFFFAOYSA-N 354.435 2.139 0 40 FEAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1F 24178423 VMWSLDCILHUWNZ-QGZVFWFLSA-N 364.442 2.178 0 40 FEAB CCn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)CCc1cncnc1)C2 1614927402 OSMWLOHCXNFFTR-SFHVURJKSA-N 369.469 2.178 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565552720 UKEPOWSLWOMOTR-ROUUACIJSA-N 368.437 2.063 0 40 FEAB O=C(CF)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl 3137343 JFFVWAHKQMYDBI-SECBINFHSA-N 374.652 2.461 0 40 FEAB CCCCN(CCCC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940575 VLAARBQISSSJPB-UHFFFAOYSA-N 352.456 2.260 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 4941504 KHBPIIXQLZGDOP-GFCCVEGCSA-N 352.818 2.389 0 40 FEAB Cc1cccc(OCC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 13604944 VXQPCMLFJCFWBX-UHFFFAOYSA-N 353.378 2.007 0 40 FEAB O=S(=O)(NC1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C1CC1 2086854481 GVRXYWFYHUMJBG-UHFFFAOYSA-N 367.368 2.290 0 40 FEAB CC(=O)N[C@@H](C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 10460161 IHCWUJPAJKIHRC-GOSISDBHSA-N 359.470 2.090 0 40 FEAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)C(=O)N(C)C 40121192 BDYPMHJQQLSCRY-NSHDSACASA-N 362.455 2.185 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 30646592 VORBVMRGFURPOR-KRWDZBQOSA-N 360.435 2.272 0 40 FEAB COc1c2c(cc3c1[C@@H](CC(=O)c1nn(C)cc1C)N(C)CC3)OCO2 20611082 NZBFHWYDBZGVRH-CYBMUJFWSA-N 357.410 2.268 0 40 FEAB biogenic CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCC2)c1 20902948 YWNUBKPMQUBAJF-UHFFFAOYSA-N 365.499 2.210 0 40 FEAB COC(=O)c1cn(Cc2cccnc2)cc2c(=O)n(-c3ccccc3)nc1-2 101722253 IWFPCNOYXFBUQA-UHFFFAOYSA-N 360.373 2.369 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(C)o2)cc1 32716642 XKLWAKXXTJKNMU-UHFFFAOYSA-N 350.440 2.087 0 40 FEAB O=C(COC(=O)c1ccc(NC(=O)C2CC2)cc1)NC(=O)c1cccs1 32859470 XGTDJZZIVJAJHM-UHFFFAOYSA-N 372.402 2.210 0 40 FEAB CCc1ccc([C@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 53637416 BFHVKQSITAEYMN-NSHDSACASA-N 352.442 2.306 0 40 FEAB COc1ccc(C(=O)OCC(=O)NC2CCCCC2)c(OC)c1OC 3403867 XNEBZPLTHPFQIU-UHFFFAOYSA-N 351.399 2.318 0 40 FEAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)[C@H]2CCCO2)CC1 12408917 OVAQFXPMUAJRMF-LJQANCHMSA-N 369.465 2.340 0 40 FEAB Cn1nnc(-c2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)n1 61720006 VHCWNWHBOISXTN-UHFFFAOYSA-N 352.305 2.062 0 40 FEAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccc(C)cc2)n1 8916391 VGXQESJSPZIFLG-UHFFFAOYSA-N 353.831 2.162 0 40 FEAB CNS(=O)(=O)Cc1cccc(CNC(=O)NCc2cccc(C)c2)c1 58213332 JTBBXZYIPFVZNZ-UHFFFAOYSA-N 361.467 2.044 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)cc1Cl 58201072 HISDAMBQBOQSIU-UHFFFAOYSA-N 361.833 2.372 0 40 FEAB O=C(CN1CCc2sccc2C1)NC(=O)Nc1ccc2c(c1)OCO2 10342011 BMIYXHVGECLVGP-UHFFFAOYSA-N 359.407 2.183 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 58344021 BKQPADDKPCIRQS-UHFFFAOYSA-N 363.889 2.042 0 40 FEAB CN(C)c1nc(SCCOC(=O)Nc2ccccc2)nc(N(C)C)n1 2267498 JDCQZZSMUCPTGN-UHFFFAOYSA-N 362.459 2.344 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Cn3cncn3)cc2)[C@@H]1C 10655158 QZYLHBXMMNHCIS-RKVPGOIHSA-N 370.453 2.424 0 40 FEAB CCn1c(CNC(=O)CNC(=O)c2cccc(C)c2)nc2ccccc21 57995839 JTTDKERFFWRGSM-UHFFFAOYSA-N 350.422 2.411 0 40 FEAB COc1ccc(OC)c(CNC(=O)c2ccccc2NS(C)(=O)=O)c1 12793933 UKUWIVNUUVMJEJ-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB C[C@@H]1CC(=O)NN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 36413136 QENSFGHYFJVNLB-PBHICJAKSA-N 351.406 2.279 0 40 FEAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 3581332 PLBJIASGUZYBEW-UHFFFAOYSA-N 354.453 2.012 0 40 FEAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2nc3nccc(C)n3n2)c1 49082368 URUTWLQUKZOLFK-GFCCVEGCSA-N 366.425 2.347 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccccc3F)nc2c1 71327521 UEKNEWCVUYAIJB-UHFFFAOYSA-N 359.382 2.328 0 40 FEAB CCOc1ccccc1N(Cc1nc2ccccc2c(=O)[nH]1)S(C)(=O)=O 9225829 OMHHRLJMTIAOJH-UHFFFAOYSA-N 373.434 2.288 0 40 FEAB Cc1ccc(C)c(-c2csc(NC(=O)CCn3[nH]c(=O)ccc3=O)n2)c1 14094419 MGYXTPOIWZLXID-UHFFFAOYSA-N 370.434 2.306 0 40 FEAB COc1cc(CC(=O)OCC(=O)N2CCCC[C@H]2C)cc(OC)c1OC 5475310 XAKCWKJTCPMFQV-CYBMUJFWSA-N 365.426 2.199 0 40 FEAB CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)CCCC2=O 4777165 FLOGFNYUNFYUKB-UHFFFAOYSA-N 352.485 2.294 0 40 FEAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 72241278 ZHIOWDGBTQTQMS-CVEARBPZSA-N 362.817 2.093 0 40 FEAB NC(=O)Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 6987469 UGOWRMOWURGNSZ-UHFFFAOYSA-N 372.469 2.432 0 40 FEAB O=S(=O)(Cc1ccccc1CNCc1ccsc1)N1CCOCC1 67693166 KSQSEKAKHAMKCX-UHFFFAOYSA-N 366.508 2.200 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9452565 QNCCSPKBTBKLEB-OALUTQOASA-N 364.449 2.272 0 40 FEAB CS(=O)(=O)Nc1nc(CC(=O)NCCc2ccc(Cl)cc2)cs1 9421782 YLOIMCGWEBRVAK-UHFFFAOYSA-N 373.887 2.069 0 40 FEAB COc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1Br 7616282 LZYKBHJXYSZRDX-SNVBAGLBSA-N 364.261 2.223 0 40 FEAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 16088755 GXCXCBJIGKXJOY-UHFFFAOYSA-N 366.483 2.465 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccs3)C2=O)cc1 96983457 JCGUDWJHJGDLBJ-NTEUORMPSA-N 357.391 2.288 0 40 FEAB c1ccc(-c2cc(NC3CCN([C@H]4CCOC4)CC3)n3ncnc3n2)cc1 84560052 RUDAOVZXDUGXOS-KRWDZBQOSA-N 364.453 2.457 0 40 FEAB O=C(NC[C@H]1CN(C2CC2)CCO1)Nc1nc(-c2cccnc2)cs1 95405439 SJBUVYYWCZHNMV-AWEZNQCLSA-N 359.455 2.190 0 40 FEAB O=Cc1cc(I)c(I)cc1O 306981741 QOSAPMPBDHJUDC-UHFFFAOYSA-N 373.915 2.414 0 40 FEAB Cc1cccc(C(C)C)c1NC(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 95942375 UJVFWIMHTNHPHX-CQSZACIVSA-N 354.472 2.132 0 40 FEAB COc1cc(NC(=O)c2cnc3n2CCCC3)c(C(=O)N(C)C)cc1OC 89312077 SGEXHPINCCGHLL-UHFFFAOYSA-N 372.425 2.191 0 40 FEAB CN1CC[C@H](C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)CC1=O 75569159 VYOHILZQGTZPAV-LBPRGKRZSA-N 358.423 2.202 0 40 FEAB COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1NS(C)(=O)=O 24867176 MIDGHVSVEBLTOO-UHFFFAOYSA-N 372.406 2.262 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21)c1cnccn1 306137332 QTGUJAZWHIACIJ-QGZVFWFLSA-N 362.437 2.050 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(CO)C(=O)O)cc1 218502028 GXOFYNGKDGJTSU-LZLYRXPVSA-N 364.394 2.137 0 40 FEAB CCCc1nnsc1C(=O)NCC1CCN(C(=O)c2ccncc2)CC1 70925855 DSDNEJAKXYDVCP-UHFFFAOYSA-N 373.482 2.168 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCC(C)C)cc1C 39986155 WCBFCPVSLBROSH-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB COc1cccc(NS(=O)(=O)c2ccc3nc(NN)sc3c2)c1 216798190 CRBKJNJXBOLZMJ-UHFFFAOYSA-N 350.425 2.391 0 40 FEAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 31538659 AVWPXRTWDBUIQR-QTYNMNAUSA-N 352.515 2.330 0 40 FEAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1ccc(O)nn1)CO2 530075076 FTPNMPNBFZFZSA-CJNGLKHVSA-N 355.394 2.106 0 40 FEAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 43531302 MQGNCIZRVSKIQE-UHFFFAOYSA-N 357.428 2.050 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1)S(C)(=O)=O 222704412 MWOFLFYFYHSVJW-AWEZNQCLSA-N 362.451 2.339 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226087060 HJPBOTDPIDFEHE-UHFFFAOYSA-N 356.488 2.162 0 40 FEAB COc1ccc(/C=C/C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1OC 225696310 MQEBMWNBNAUJAC-FNORWQNLSA-N 371.389 2.268 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1OCC(=O)N(C)C 223244003 KDTVFPSHAJRRNH-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2CC[S@](=O)C[C@@H](C)C2)s[nH]1 583485658 CAUDRUCZLXVNOT-KLVQOETNSA-N 370.525 2.229 0 40 FEAB Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCc1cccnc1 96266305 NTJZVETWWOGSQN-UHFFFAOYSA-N 362.437 2.407 0 40 FEAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109012 JBJKWYCCDUUUQJ-BEFAXECRSA-N 358.463 2.377 0 40 FEAB CN1CCN(c2ccc(F)cc2C(=O)NC[C@H]2COc3ccccc32)CC1 585084126 BLHWWUHIIFCBFF-HNNXBMFYSA-N 369.440 2.484 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96240784 LSABKXWEDJJWTG-GOSISDBHSA-N 358.482 2.399 0 40 FEAB O=C(c1ccno1)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 96160053 HZWTXTIBCHPAAH-HNAYVOBHSA-N 357.410 2.298 0 40 FEAB Cc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 253598612 PSCFFHKGJOVGGY-AWEZNQCLSA-N 368.466 2.427 0 40 FEAB CCn1nc(C)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 590672228 JRPQHDAVERXPTL-MRXNPFEDSA-N 369.469 2.161 0 40 FEAB Cc1cc(NC(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3nccn3C)C2)cs1 1615549154 KMBGGQMDQZOPBP-HUUCEWRRSA-N 373.482 2.316 0 40 FEAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)ccc1-n1cccn1 643370270 PZWXTCXQDMFLRY-OAHLLOKOSA-N 352.398 2.372 0 40 FEAB COCCN(CC(=O)O)Cc1cc2c(c(-c3ccc(OC)nc3)c1)OCO2 1777209335 PVGOOFGLNYOQRC-UHFFFAOYSA-N 374.393 2.019 0 40 FEAB COCC[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1 585095482 SWIUQSQTCKJFQG-HNNXBMFYSA-N 364.467 2.354 0 40 FEAB C[C@H](NC(=O)CSC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 55830035 JHCWNTVROGPQAG-VIFPVBQESA-N 370.418 2.367 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(CCc4ccccc4)c3n2)cc1 12145948 RLGBPVOKNWTAHL-UHFFFAOYSA-N 373.416 2.437 0 40 FEAB COc1cc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)ccc1O 12366428 FGKIBRXQHDEGBP-NQIIRXRSSA-N 366.417 2.218 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)CCCc1nc(-c2ccccn2)no1 19581931 RIRKNADCQLVIHL-OAHLLOKOSA-N 357.458 2.397 0 40 FEAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ncccn2)CC1 103463457 ONRIXOMBPCIMMO-OKILXGFUSA-N 364.409 2.027 0 40 FEAB COc1ccccc1-c1nc(C(=O)N2CCO[C@H](CC(=O)O)C2)cs1 584908076 QGSCAXPTAZPSQJ-LLVKDONJSA-N 362.407 2.134 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)N2CCc3ccccc3C2)c1 10361479 NDAWYLUUNPHCEX-UHFFFAOYSA-N 359.451 2.326 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]1 10459423 RBJRGOZZBNVQKK-AWEZNQCLSA-N 363.458 2.255 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)c2ccccc2O1 7825866 IBQUDKHHJRKTDV-INIZCTEOSA-N 360.797 2.259 0 40 FEAB Cc1nnc2ccc(N3CC[C@@H](COc4ccc(C(C)(C)C)nn4)C3)nn12 1888873357 MLYFKUUUWIWLOF-CQSZACIVSA-N 367.457 2.426 0 40 FEAB CCOc1ccc(-c2ccc(N3CCN(Cc4ncon4)CC3)nn2)cc1 1888897162 YFSCPUPMNPJSMN-UHFFFAOYSA-N 366.425 2.248 0 40 FEAB CN(C)c1ccnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889101220 SZYZKLVHXYVWOL-UHFFFAOYSA-N 353.417 2.017 0 40 FEAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 22693929 AKWGCNBYTOBCGP-AWEZNQCLSA-N 365.499 2.183 0 40 FEAB O=C1COC[C@]2(CN(Cc3ccccc3)CCO2)CN1c1ccccc1 2037980658 CXDRCPZFZQFPSB-NRFANRHFSA-N 352.434 2.321 0 40 FEAB CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224660 OTUSUPNHAADGMH-DYESRHJHSA-N 361.530 2.360 0 40 FEAB COc1ccccc1CCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373843 JMJIUIWLZADFNN-INIZCTEOSA-N 371.412 2.482 0 40 FEAB CC(C)CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152848 VQMWFZPJWVCXDT-QGZVFWFLSA-N 355.438 2.272 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)no1 10785159 YTZZWFLBYLTJCP-NSHDSACASA-N 355.441 2.226 0 40 FEAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccco4)CC3)C2=O)cc1 11694073 SUJPBQXXWKBLAP-UHFFFAOYSA-N 367.405 2.315 0 40 FEAB Cc1nnc(SCC(=O)N2CCOCC2)c2c1cnn2-c1ccccc1 23137522 PTSVBFYSKYAJDZ-UHFFFAOYSA-N 369.450 2.075 0 40 FEAB Cn1c(=O)c2ccc(C(=O)N3CCc4nc5ncccc5cc4C3)cc2n1C 1890337632 CSICMLQLKSONLR-UHFFFAOYSA-N 373.416 2.019 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)NCc1cccnc1-c1cnn(C)c1 575619842 ZVRBJEKLQLDTAO-UHFFFAOYSA-N 372.450 2.278 0 40 FEAB C[C@H](NC(=O)COC(=O)c1nccnc1N)c1ccc(Cl)cc1Cl 21462100 AZDHJAMDKVSVJY-QMMMGPOBSA-N 369.208 2.400 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 30032314 YYWCNOQLRQGLAS-BONVTDFDSA-N 371.418 2.172 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)N1CCc2ccccc2C1)C(F)(F)F 40040270 LCZLUBBOAPBRNT-MRXNPFEDSA-N 353.344 2.145 0 40 FEAB CCC(CC)[C@@H](CNC(=O)Cc1cn2ccsc2n1)N1CCOCC1 30941321 WXEUWJMFQZGXQS-MRXNPFEDSA-N 364.515 2.192 0 40 FEAB CCOC(=O)NCCC(=O)Nc1ccc(I)cc1 31273570 NHHZRTSZNBQXGJ-UHFFFAOYSA-N 362.167 2.366 0 40 FEAB COc1ccc(NC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1 32124074 XUOKVUIPUIJVHF-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB biogenic CSc1ccccc1NC(=O)CN(C)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102329769 ZLVJFHLWKIOLPH-OKILXGFUSA-N 373.478 2.188 0 40 FEAB Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)NC3CC3)CC2)c(C)c1 32825545 TUWLNIDKKPSLNW-UHFFFAOYSA-N 357.454 2.186 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(Cn2cccn2)cc1 47176665 ISOMHZSUPQMEQC-UHFFFAOYSA-N 374.404 2.065 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2cccc3cnccc23)C1 47325287 IKVAGNVKMMWOOH-CYBMUJFWSA-N 362.455 2.028 0 40 FEAB COc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 665266 TZBZDVAZMKTMJQ-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cc(F)ccc1F 22564045 ROZZHDYRDKLSOG-UHFFFAOYSA-N 354.330 2.408 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)cc1 1985836 WQMCOZSEMXXPOM-OAHLLOKOSA-N 370.380 2.356 0 40 FEAB COc1ccccc1NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 22705202 LELXGEBTQVVNIX-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB COc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(N)=O)cc1 854225 IHYNXKCSJUXORL-DHZHZOJOSA-N 365.183 2.307 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 7939714 XEEROIDMHHUCMM-UHFFFAOYSA-N 374.393 2.257 0 40 FEAB NC(=O)c1c(NC(=O)CN2CCc3sccc3C2)sc2c1CCC2 54670427 KHGQJMZPRLRVJV-UHFFFAOYSA-N 361.492 2.394 0 40 FEAB Cc1ccn2cc(C(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)nc2c1 8279973 VVUNOSZHKPCART-ZDUSSCGKSA-N 372.450 2.123 0 40 FEAB Nc1c(Cl)cccc1C(=O)OCC(=O)NC(=O)NCc1cccs1 8328760 BKDNRIVHFKRHRL-UHFFFAOYSA-N 367.814 2.167 0 40 FEAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1F 23977132 MYFFWSRNXVQWKN-AWEZNQCLSA-N 370.471 2.239 0 40 FEAB Cc1ccc(-n2nnc(C(=O)NCCCN3CCCCCC3=O)c2C)cc1 54913575 FJSSVMNTOZVOBU-UHFFFAOYSA-N 369.469 2.407 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN(C)c1cc(Cl)nc(N)n1 43534633 DFRBHKBFRIWRSP-UHFFFAOYSA-N 356.213 2.449 0 40 FEAB Cc1cc(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)ccc1F 25463924 WQGFUXNDDMZADA-UHFFFAOYSA-N 355.369 2.116 0 40 FEAB Cc1ccc(Nc2nc(N)nc(CSc3nc4ncccn4n3)n2)cc1 9368583 NTTQFOITKUHROY-UHFFFAOYSA-N 365.426 2.236 0 40 FEAB Cc1ccc(C)c(-n2cnn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)c1 12542665 HTCFAWFRKKXBNF-AWEZNQCLSA-N 366.512 2.097 0 40 FEAB O=C(O[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108055986 JSTPNLXBDBFPPW-UGQVUOCMSA-N 374.462 2.332 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1cccc2cccnc12 102075920 GXSRITXPICVVHD-CLJXZBEYSA-N 374.396 2.193 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57478780 XWMVOPHZTJYAAF-AWEZNQCLSA-N 369.446 2.048 0 40 FEAB CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 27671937 LGWXDUNNKVHENX-UHFFFAOYSA-N 358.417 2.146 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2sccc2-n2cnnn2)N(C)C)cc1 58291039 KYYQXXMPVSKOMW-OAHLLOKOSA-N 356.455 2.065 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1ccccc1-n1cnnn1)c1ccco1 58210407 NFKATQIIYZVBOD-INIZCTEOSA-N 354.414 2.068 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 2136375 IRIZOPHLYJUKDA-UHFFFAOYSA-N 369.512 2.377 0 40 FEAB CCCS(=O)(=O)NC1CCN(c2nc(-c3ccccc3)no2)CC1 58421445 QYCJBHISKPCXLQ-UHFFFAOYSA-N 350.444 2.035 0 40 FEAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccc(Cl)cc1Cl 20635214 KXCKRNXGOMDSCK-VHSXEESVSA-N 363.222 2.007 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2cccnc2)N=C1O 36585709 ORIPGDZWSHVNSW-RHSMWYFYSA-N 366.421 2.364 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cnc21 11426586 OAYBKEHAJBPTNW-UHFFFAOYSA-N 365.315 2.178 0 40 FEAB Cc1noc(C)c1C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 60083104 HBZSCNKDKAUWOF-CHWSQXEVSA-N 371.437 2.471 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 12950636 IAHGMNHSVVGEHI-TXEJJXNPSA-N 369.259 2.205 0 40 FEAB CC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 12911140 LIGMZIFHIZREAE-UHFFFAOYSA-N 367.449 2.407 0 40 FEAB COc1ccccc1[C@@H](C)N(C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 48831495 FMQYQTGMIKVRQI-CHWSQXEVSA-N 357.497 2.135 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1F)O2 38849269 UHKJYUYGUVYDQG-INIZCTEOSA-N 364.398 2.300 0 40 FEAB CN(C)CCNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 5207911 AJUMIPWSATUTFO-UHFFFAOYSA-N 367.371 2.207 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 14117875 COGOSWFICQSORR-UHFFFAOYSA-N 359.332 2.440 0 40 FEAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1C(=O)O 4511424 FSEOKAFYNIKFJN-UHFFFAOYSA-N 360.753 2.402 0 40 FEAB CCn1nc(C(=O)NCc2nc3ccccc3n2C)c2ccccc2c1=O 9314512 COTRAYRUPHWXPN-UHFFFAOYSA-N 361.405 2.233 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)cc1 6898878 GXCJMDTXKMLXPQ-ZDUSSCGKSA-N 369.450 2.468 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CCNC(=O)c1ccccc1 6857031 BQPUNWHGMYNYAQ-UHFFFAOYSA-N 355.394 2.412 0 40 FEAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21 9478141 IYNWWBYXQFWHBN-GOEBONIOSA-N 373.482 2.138 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2F)cc1 7953489 DWQRYNSOODWEMC-UHFFFAOYSA-N 356.806 2.099 0 40 FEAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCS(=O)(=O)C1 8073946 CZIFLRDWLXYZIW-AWEZNQCLSA-N 374.466 2.045 0 40 FEAB COc1cccc(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1 8243471 TUAWQTCCGMRZPF-UHFFFAOYSA-N 374.462 2.061 0 40 FEAB COc1ccc(NC(=O)CSCC(=O)Nc2nnc(C)s2)cc1 19994856 SIBODKBOYABFDD-UHFFFAOYSA-N 352.441 2.166 0 40 FEAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 8726102 JOGRRURMRXZWSX-QGZVFWFLSA-N 370.428 2.274 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(OC)c(Br)c(OC)c1 8884232 GFMQXQRUBMKPOI-SECBINFHSA-N 373.247 2.111 0 40 FEAB COCCN(CCO)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 95441864 QTVJJACPTXATJA-UHFFFAOYSA-N 374.485 2.453 0 40 FEAB CCC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 306140588 UYFCLXXSOZVWJI-UHFFFAOYSA-N 357.433 2.257 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)Cc4cc(C)on4)C3)nn2)cc1 95998048 XIUVSNYRUGXEJN-UHFFFAOYSA-N 367.409 2.266 0 40 FEAB Cc1cc(C)nc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1 89599417 MAAVNLOKIWZCPG-UHFFFAOYSA-N 355.442 2.005 0 40 FEAB CC(C)OCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 21900271 HQCCFAOQQAJATA-UHFFFAOYSA-N 362.879 2.135 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 306132886 LVHRHPHZUGSRIC-HNNXBMFYSA-N 364.515 2.238 0 40 FEAB CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 502496636 TUSJDFVXDLXNCZ-GJZGRUSLSA-N 358.360 2.261 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 72390814 MCTMSMYSOVNEBQ-UGSOOPFHSA-N 370.428 2.392 0 40 FEAB COc1cccc([C@@H]2CN(S(=O)(=O)CCC3CCC3)C[C@H]2C(=O)O)c1 565896048 WKZOZTZLZNJDFX-DLBZAZTESA-N 367.467 2.315 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2c1c(C)nn2C 71328819 GPRMTUSLRPEYTI-MRXNPFEDSA-N 366.421 2.099 0 40 FEAB COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 72242060 PJFCGFUGZDVOHB-PKOBYXMFSA-N 353.422 2.316 0 40 FEAB Cn1nc(C(=O)NCCc2cccc3cccnc23)c2ccccc2c1=O 40040047 QQIKBXYWNPPYQO-UHFFFAOYSA-N 358.401 2.454 0 40 FEAB N[C@@H]1CC[C@@H]2CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@@H]21 564570912 HXOOJMKJTKILSU-CAPXZKIUSA-N 353.388 2.480 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCC(C)C 225208847 FUQCVYXQVMBYKO-UHFFFAOYSA-N 371.528 2.422 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)c(C)c1 577006119 QPHFGKDNKWOMOO-GOSISDBHSA-N 369.483 2.271 0 40 FEAB Cc1ccsc1CN1CC[C@H]2OCC[C@@]2(COCC(=O)N(C)C)C1 96110350 HTHGZNYUQZYIMM-AEFFLSMTSA-N 352.500 2.142 0 40 FEAB CC(C)CNC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 96225460 SJENUDCCYHBGGW-GOSISDBHSA-N 363.845 2.473 0 40 FEAB Cc1cc2cc(C(=O)N3CCC[C@H](Cn4cc(CN)nn4)C3)ccc2o1 23542429 NMQOAWQQNLQTEA-AWEZNQCLSA-N 353.426 2.344 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCc2nc(C)no2)cc1 583616243 ZASLTSUKSAXZMR-QFBILLFUSA-N 359.426 2.218 0 40 FEAB O=C(c1ccncc1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96049401 GIKIIZCEDCYCNY-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(CC(=O)N(C)C)C1 96244679 SRHOSAKTORZUHT-NRFANRHFSA-N 366.465 2.014 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCCC1)CN(C(=O)c1ccnnc1)C2 96044958 RSWAYXLWFOMSMK-INIZCTEOSA-N 355.442 2.157 0 40 FEAB Cc1nc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)sc1C 96182868 YJGHYMYWFSEMTL-CABCVRRESA-N 363.414 2.436 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159165 BHAKVCVCBRCYAJ-UHFFFAOYSA-N 359.451 2.125 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 243868799 RLPWMSZJOXBNTD-UHFFFAOYSA-N 361.423 2.050 0 40 FEAB COc1ncccc1C(=O)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 247880745 QBSRVBOAZQHWKX-WBAXXEDZSA-N 369.421 2.041 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@H]1COc2ccccc2O1 240178602 ZCBYTADXPPTBQJ-CKEIUWERSA-N 355.394 2.123 0 40 FEAB COc1ccc(CC(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc1 247920721 OEUYLDHABXFSQK-SFHVURJKSA-N 368.481 2.189 0 40 FEAB C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 251022179 DUWSZXODIHFZMO-DRZSPHRISA-N 371.264 2.460 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ncccc3C)CC2)C[C@H](O)C1(C)C 257219729 DHXGTMGHFOMTEC-INIZCTEOSA-N 359.470 2.004 0 40 FEAB CCOC(=O)[C@@](C)(CNC(=O)c1ccc(C(=O)O)nc1)c1ccccc1 615931243 SOVFGPKBBXUEBS-IBGZPJMESA-N 356.378 2.031 0 40 FEAB CCN1CCN(Cc2ccc(NC(=O)c3[nH]nc4ncccc34)cc2)CC1 1149402502 WQVBFJUFNXOANJ-UHFFFAOYSA-N 364.453 2.348 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H](C)C2 666369527 DTWZPBDEGZXKJM-SMKXDYDZSA-N 350.484 2.493 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)cc1 1615191122 NWJLSPVKURSHFX-NRFANRHFSA-N 371.481 2.320 0 40 FEAB CCN1C(=O)NC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1=O 11694135 KRXHGIPXMQKRQO-UHFFFAOYSA-N 353.781 2.026 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12085254 SYEZJMUIVYAFMP-SFHVURJKSA-N 362.437 2.359 0 40 FEAB Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)c3cnn4cccnc34)[C@H]1CC2 12120811 IFBBEHNVRKINAE-OXJNMPFZSA-N 362.437 2.336 0 40 FEAB CCS(=O)(=O)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12184023 GHFLIFZACYEAFZ-UHFFFAOYSA-N 367.496 2.034 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3oc(C)nc3C)CC1)O2 12225768 FVEIQIZCRBDZKG-UHFFFAOYSA-N 369.421 2.397 0 40 FEAB Cc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 13636718 ZUESLWDLCMWIST-OAHLLOKOSA-N 364.829 2.119 0 40 FEAB O=C(COc1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19335748 UMWRSXQEYJCJPJ-KRWDZBQOSA-N 356.401 2.004 0 40 FEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(C)=O)CCO2)C1=O 643557677 YZKDFPYJUOJMQK-OAQYLSRUSA-N 374.481 2.258 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 13251451 AHOZXHJAHKJLMS-UHFFFAOYSA-N 368.455 2.301 0 40 FEAB CC[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1OC)c1c(C)noc1C 569336977 VTEFMGMRMOZOBB-LBPRGKRZSA-N 368.411 2.428 0 40 FEAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccc2c1CCCC2 10513331 QHEWGVYPRHLBLH-UHFFFAOYSA-N 355.423 2.008 0 40 FEAB Clc1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888888264 GTJUBVIVPQFNCJ-LLVKDONJSA-N 371.832 2.350 0 40 FEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 18067299 KXOJATGVYUSMTP-BETUJISGSA-N 358.394 2.443 0 40 FEAB Cc1ccc(NC(=O)c2ccc(O)nn2)cc1I 24001353 IAUOSEUTMCYIBN-UHFFFAOYSA-N 355.135 2.348 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)NC[C@H]3CCCO3)C[C@@H]2c2ccccc2)n1 238879408 OWMJPXJVHQSODV-BRWVUGGUSA-N 356.426 2.450 0 40 FEAB O=C(NC[C@]1(OCCO)CCSC1)c1csc(-c2ccccc2)n1 1565519782 PDSWHMCOPPKKQV-QGZVFWFLSA-N 364.492 2.425 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCO2)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523514 QFAKRYITJJQSJP-GJZGRUSLSA-N 359.451 2.375 0 40 FEAB COCc1ccc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cc1 1565556394 SMZSZCNJOUXCJN-UHFFFAOYSA-N 361.405 2.279 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1 1565546542 GMKXPPRMLDFMND-YOEHRIQHSA-N 351.454 2.136 0 40 FEAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055747738 RSZIKBKTIORFLT-VGRIIWOTSA-N 373.478 2.478 0 40 FEAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4nc5ccccn5c4C)C[C@H]3O2)n[nH]1 2055759349 NZDNVPYPGMEATE-RBSFLKMASA-N 366.425 2.062 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC[C@H](COc3ncccn3)C2)ccc1F 1775968899 YGGISRMJOBWPCR-AWEZNQCLSA-N 365.430 2.404 0 40 FEAB C[C@](O)(CNS(=O)(=O)c1ccccc1Br)Cc1ccco1 206619679 XMKANQVPMQHSJJ-CQSZACIVSA-N 374.256 2.314 0 40 FEAB CCOc1ccc(CN(C)C(=O)c2cnc3ccccn3c2=O)cc1OC 40040403 XGNYKXUGSXMYLB-UHFFFAOYSA-N 367.405 2.374 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cn2ccnc2)cc1 30217599 NIJVTQQLQXTAMO-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2Cl)nc1CO 21149042 SXZIQBURVAGXEV-UHFFFAOYSA-N 372.812 2.352 0 40 FEAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)n1 32759963 MGNYMLPHWWBFDR-OAHLLOKOSA-N 357.458 2.258 0 40 FEAB C[S@@](=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 21647743 RZRDKLVCZKCITH-SANMLTNESA-N 370.430 2.217 0 40 FEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(=O)NC)cc2)C1 32913145 DYUQITCAUHRAHU-INIZCTEOSA-N 374.485 2.087 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCC(n2ccnc2)CC1 103303913 KVAJDGMHSYHVRH-UHFFFAOYSA-N 351.414 2.011 0 40 FEAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)C(=O)N1CCOCC1 2774892 JYQMIFKBZZGEEJ-QMMMGPOBSA-N 352.179 2.311 0 40 FEAB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1Cc1ccco1 60924700 MWOSOTWCXCUKAS-QGZVFWFLSA-N 350.440 2.053 0 40 FEAB COc1cccc(COC(=O)c2cccc(-n3nc(O)ccc3=O)c2)c1 61069297 IKNWEZGKQAJNEX-UHFFFAOYSA-N 352.346 2.304 0 40 FEAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(N2CCNC2=O)c1 47042072 MXDWJSVBFFQBCM-INIZCTEOSA-N 351.362 2.457 0 40 FEAB CCCn1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)ccc1=O 47186215 GIYVNIPLPWVZFF-KRWDZBQOSA-N 367.449 2.288 0 40 FEAB O=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)NCc1ccco1 877534 SXBKWOQUHPLWTM-UHFFFAOYSA-N 369.465 2.457 0 40 FEAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N4CCSCC4)C3)nc2)n1 77200432 DSOBAHJLLAICFO-OAHLLOKOSA-N 373.482 2.232 0 40 FEAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@H]3C2)cc1 1336139 FBUWYWUKHYXXSO-WMZOPIPTSA-N 370.501 2.306 0 40 FEAB O=C(CN1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1 53430099 BPIPFBVAYULDRY-UHFFFAOYSA-N 365.905 2.349 0 40 FEAB Cc1c(C(=O)NC2CCOCC2)sc2nc3n(c(=O)c12)CCCCC3 79020159 KTBJTPPMWVCMCP-UHFFFAOYSA-N 361.467 2.402 0 40 FEAB COC(=O)CC(C)(C)NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 79109496 TYCYWSDXDQBHIS-UHFFFAOYSA-N 358.442 2.359 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2cc(Br)ccc2=O)c1C 8983005 WTTYCRYWLCUZTO-UHFFFAOYSA-N 367.199 2.225 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015682 LOBRXNCAHMGFOZ-UHFFFAOYSA-N 373.844 2.358 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 22880800 PGYIVUXVLUTIAD-UHFFFAOYSA-N 371.784 2.420 0 40 FEAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1F 6741972 QPIDHXUXYDMZMB-RHYQMDGZSA-N 358.163 2.405 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 100634908 OFEIMXRKQMBMPZ-QDEZUTFSSA-N 351.761 2.329 0 40 FEAB CNC[C@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 42524599 GFRPRIHLCCFBIN-SECBINFHSA-N 353.307 2.131 0 40 FEAB COCCn1cnnc1S[C@H](C)C(=O)Nc1cc(OC)ccc1OC 23640197 ILEOLRSLCWBHDY-LLVKDONJSA-N 366.443 2.061 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 24757219 GJJZBYIJTJKTKA-UHFFFAOYSA-N 369.377 2.208 0 40 FEAB O=C(CNC(=O)[C@H]1Cc2ccccc2O1)Nc1ccc(F)c(F)c1F 58247233 GWNOVYBJIUVESZ-CYBMUJFWSA-N 350.296 2.162 0 40 FEAB O=C(CN1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 34887567 OKCRLPQMSFAWHP-UHFFFAOYSA-N 367.405 2.164 0 40 FEAB O=C(CNc1ccc(-n2nccn2)cc1)Nc1ccc2c(c1)OCCO2 55844108 TWCAHUYEYQMBHZ-UHFFFAOYSA-N 351.366 2.089 0 40 FEAB Cc1ccc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nc1 12533436 ZJFWMLQLSGRDDL-UHFFFAOYSA-N 374.447 2.254 0 40 FEAB O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CCC2(CC1)OCCO2 56637018 HORFXPNMVWYKJH-LLVKDONJSA-N 356.831 2.260 0 40 FEAB O=C(NCCOc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)n1cnnn1 26052954 OHGVZUKNOVHKJP-QGZVFWFLSA-N 371.828 2.306 0 40 FEAB C=CCSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974350 WCVJMVSGADCXDK-UHFFFAOYSA-N 361.423 2.288 0 40 FEAB Cc1cc(=N)n(CC(=O)c2ccc(I)cc2)c(C)n1 103156281 XQDLLQYLBLDTNW-UHFFFAOYSA-N 367.190 2.467 0 40 FEAB C/C=C/C(=O)OCc1nc2cc(S(N)(=O)=O)ccc2n1CCCC 23261054 KFKQVPYDFJCNJK-GQCTYLIASA-N 351.428 2.103 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCCOc1cccc2ccccc12)C(=O)OC 72272744 BMCDBJNMIVRQLX-MRXNPFEDSA-N 373.405 2.220 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)C[C@@H](C)O1 58325829 FRHCWOVRQSGBTG-FCEWJHQRSA-N 358.482 2.264 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccc(C)cc1 45009223 PJIFBIANERRYGK-WMLDXEAASA-N 360.454 2.410 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102382087 UZUQNEUUYHKYPF-LHHMISFZSA-N 372.465 2.209 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10331703 KUFCUACBWSIJFN-GHMZBOCLSA-N 362.879 2.418 0 40 FEAB O=C(NCCc1nnc2ccccn12)c1cncn1-c1ccc(F)cc1 11546728 VQHCAJHFVHAYQV-UHFFFAOYSA-N 350.357 2.027 0 40 FEAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(F)cc1F 3405835 FGBIJOSLLKISTB-UHFFFAOYSA-N 363.349 2.377 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 13012862 GTXGDOKZCUYUBI-UHFFFAOYSA-N 350.371 2.440 0 40 FEAB COc1ccc(CNC(=O)NCCC(=O)N2CCCCCC2)cc1OC 60278140 RLRZFYJUPCGINP-UHFFFAOYSA-N 363.458 2.296 0 40 FEAB COc1ccccc1N1CN(C[C@@H]2CCCO2)Cn2c1nc(C)c(C)c2=O 38830080 JBAFFHDZDXEQKZ-INIZCTEOSA-N 370.453 2.416 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38833315 RAJFWFFCXAYEOK-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB Cc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@H]3C2)s1 306133582 MQFPOPHUOXDBAV-KBPBESRZSA-N 371.510 2.235 0 40 FEAB CN(C(=O)CSc1nnc2nc(O)c(C(C)(C)C)nn12)c1ccccc1 4251452 XNTYUDIUHDCGHQ-UHFFFAOYSA-N 372.454 2.278 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccccc1F)C2 5274312 IVOURYIBHQDFAH-CQSZACIVSA-N 368.412 2.115 0 40 FEAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(CCO)C3=O)c1 5343215 PDAYIMQRYSJKDI-LJQANCHMSA-N 365.389 2.334 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)C3CCC3)c2C(N)=O)C1 14141865 PQEAKUIHLIXKSA-VIFPVBQESA-N 350.440 2.254 0 40 FEAB COc1cccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c1 14184174 MXKPEFJXFAPPGL-UHFFFAOYSA-N 370.405 2.185 0 40 FEAB COC(=O)CNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 14108417 VTHYOQPWVVZWEG-UHFFFAOYSA-N 357.391 2.271 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439397 ULOHDBKGKKNNRN-ZDUSSCGKSA-N 372.874 2.179 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccc(N4CCOCC4)nc3)ccc21 14522240 JUKFCBWQTOFGSK-UHFFFAOYSA-N 366.421 2.080 0 40 FEAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O 20800653 YBPFDMJBZYOODP-LLVKDONJSA-N 357.362 2.091 0 40 FEAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccco1 4890641 ZYOJUNPBVQVGJP-CYBMUJFWSA-N 356.378 2.268 0 40 FEAB CC(C)CN(C(=O)c1ccsc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 25013817 WGYHUIMYYVASKP-UHFFFAOYSA-N 364.471 2.139 0 40 FEAB Cc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20245605 OMHCYZVNWPMMGJ-UHFFFAOYSA-N 361.467 2.168 0 40 FEAB CC[C@H](C)n1c(SCC(=O)N2CCNC2=O)nc2ccccc2c1=O 4949020 SVHIZZWNJCJDNL-NSHDSACASA-N 360.439 2.011 0 40 FEAB Cc1ccc(-c2nc(COC(=O)CCCN3C(=O)CNC3=O)cs2)cc1 7354189 HMEPQSQNIGSDJN-UHFFFAOYSA-N 373.434 2.494 0 40 FEAB O=C(Cn1ncn2nccc2c1=O)O[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 70866057 DRLFPFLVNLNPAK-GDBMZVCRSA-N 372.812 2.424 0 40 FEAB CC1CCN(C(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)CC1 33941026 YETGYJUHDQJQKW-UHFFFAOYSA-N 350.378 2.149 0 40 FEAB Cc1ccc(-n2c(O)nc3nc(NC[C@H]4CCCO4)ncc3c2=O)c(C)c1 67263953 HZHXBYBIKSNENJ-CYBMUJFWSA-N 367.409 2.089 0 40 FEAB CC(=O)c1ccccc1OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 42629500 COWVNRMBWXZVTR-UHFFFAOYSA-N 358.394 2.295 0 40 FEAB CC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 36383320 CSSBPZDYBJWQFO-ROYATCLZSA-N 368.389 2.052 0 40 FEAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1COc2ccccc2O1 70762260 GHDJJUVLJRFWKU-RDJZCZTQSA-N 367.323 2.393 0 40 FEAB Cc1noc(C2CCN(CCC(=O)N3CCOc4ccccc43)CC2)n1 560406434 LEZKKILCMSKJQB-UHFFFAOYSA-N 356.426 2.373 0 40 FEAB CSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)s1 224458311 QMOGVLUXEXCUJL-UHFFFAOYSA-N 372.497 2.217 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1nnc2n1CCCC2 41142511 WJVMGZTVFLVQNT-UHFFFAOYSA-N 351.410 2.437 0 40 FEAB COCCn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c1=O 75424218 HSQOPJKJWISGLY-UHFFFAOYSA-N 364.361 2.053 0 40 FEAB C[C@H](C(=O)NCc1cccnc1)n1nc(-c2ccc(F)cc2)ccc1=O 44391955 WQVGROOVYBAWFK-CYBMUJFWSA-N 352.369 2.322 0 40 FEAB CCS(=O)(=O)N1CC2(CCN(Cc3nccn3C)CC2)c2ccccc21 96078884 SLVUQJCSHPQYCA-UHFFFAOYSA-N 374.510 2.124 0 40 FEAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 96041042 HJEUHCFOGXASRT-WBAXXEDZSA-N 356.426 2.305 0 40 FEAB COc1ccccc1OCC(=O)N1CC2(CC[C@H](CN3CCCC3)CO2)C1 247920668 OATBPHQOOWPKOB-QGZVFWFLSA-N 374.481 2.177 0 40 FEAB CN(C)C(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)CC2)ncn1 257210274 BTXSIIGLCLOSBY-AWEZNQCLSA-N 359.499 2.480 0 40 FEAB Cc1cc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)on1 253600032 CKSXCBXYYPRPCT-CQSZACIVSA-N 356.357 2.422 0 40 FEAB CCOc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2CC)cc1 257232689 GLYSFSLCUWOIEP-MJGOQNOKSA-N 360.454 2.244 0 40 FEAB COc1cccc(N(CCCC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1 260790626 FIVUWLSWCROXBW-HNNXBMFYSA-N 368.499 2.500 0 40 FEAB O=C(c1cnn2cccnc12)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 608006429 VIYFOIIWFFZSSD-JTQLQIEISA-N 364.331 2.491 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cc[nH]n1 604405762 VHXGESMXSCPZDN-GOSISDBHSA-N 373.372 2.163 0 40 FEAB biogenic COc1ccccc1CN(CCO)C[C@@H]1CCCO[C@H]1c1cnn(C)c1 667530404 YEWBRARVGMQEOO-FXAWDEMLSA-N 359.470 2.391 0 40 FEAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC(c2cccnc2)CC1 678163532 PWDXXRKUORPGPC-AWEZNQCLSA-N 370.375 2.134 0 40 FEAB Cn1cnnc1[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 681878498 UAWFXPBISJQTMY-NSHDSACASA-N 361.452 2.214 0 40 FEAB CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccccc1F 1615551133 ZJEBYLKCBKRJBB-HUUCEWRRSA-N 352.406 2.119 0 40 FEAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292932 UJRNZMXBOXFBRS-ISZGNANSSA-N 372.498 2.419 0 40 FEAB COc1ccc(CN2CCc3oc(C(=O)N[C@@H]4CC[C@@H](F)C4)nc3C2)nc1 585111520 COVQTNRJYXDFGH-CHWSQXEVSA-N 374.416 2.257 0 40 FEAB CN(C)c1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3)C2)cn1 585278053 ZEEQIECASJITMC-HXUWFJFHSA-N 355.438 2.194 0 40 FEAB Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)NC2CC2)cc1 28930139 UQMYESUQORQLFY-UHFFFAOYSA-N 350.465 2.427 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 36837906 ZFIZRRCYTBIKFC-FUHWJXTLSA-N 368.437 2.345 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(=O)[nH]c2ccc(F)cc12 78032868 UIESSJPSTUILRQ-LBPRGKRZSA-N 354.337 2.237 0 40 FEAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)CCn2cncn2)CC1 12231074 SCEVGBQVGPJLOD-UHFFFAOYSA-N 368.416 2.344 0 40 FEAB CC(=O)O[C@H]1OCCO[C@H]1NC(=S)Nc1cccc(C(F)(F)F)c1 13685875 RSMCQGMWTWXNOG-VXGBXAGGSA-N 364.345 2.254 0 40 FEAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16322867 HGWNOCUCVKUSHZ-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)cn1 19214890 CMINMIPNZDAJFL-FQEVSTJZSA-N 351.406 2.187 0 40 FEAB COC(=O)c1cc(C(C)C)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850729 CZJIFRCWQVGUTD-NSHDSACASA-N 351.428 2.009 0 40 FEAB Cn1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 575607939 SLBISAIMDDWDGN-OAHLLOKOSA-N 370.428 2.318 0 40 FEAB O=C(C1CCOCC1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830266 JVHNELSPBOYNML-UHFFFAOYSA-N 351.468 2.019 0 40 FEAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nc2ncccn2n1 10075736 CUKSXAWEHBEHCU-UHFFFAOYSA-N 370.463 2.485 0 40 FEAB Cc1nccc(N2CCN(c3nc(O)c(F)c(-c4ccccc4)n3)CC2)n1 1888903782 AYFQAQJWDAMHBA-UHFFFAOYSA-N 366.400 2.413 0 40 FEAB COc1cc2ncnc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)c2cc1OC 1889120580 BHJQOEKDPNKXEZ-GFCCVEGCSA-N 358.442 2.388 0 40 FEAB O=C(c1cocn1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984134 RMOXDBLUMWYKHN-IBGZPJMESA-N 355.394 2.103 0 40 FEAB O=C(/C=C/c1cccs1)N1CCCn2c(nnc2Cn2ccnc2)C1 1565554205 UBZOMSKQRVEHAE-SNAWJCMRSA-N 354.439 2.030 0 40 FEAB Cn1c(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cccc1=O 1565550763 DXERGGQGQFVTQP-LJQANCHMSA-N 371.462 2.106 0 40 FEAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)C4(F)CCC4)CC[C@@H]3C2)cs1 1565544651 PRPBYFSXIQBTLC-GDBMZVCRSA-N 367.490 2.393 0 40 FEAB CCCc1cc(O)nc2nnc(SCC(=O)N3CCc4ccccc43)n12 4250141 HODYGOAEBBRAFL-UHFFFAOYSA-N 369.450 2.464 0 40 FEAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)cc1 4518058 SHMXBHZBOVWWLM-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB O=C(C[C@H](NCCCO)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5258020 LFZMBOGJMASSJE-KRWDZBQOSA-N 357.410 2.184 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)CCc2ccccc2)cc1 9570524 YYAMGDFENWEPFD-UHFFFAOYSA-N 351.410 2.310 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C2CC=CC2)C1 2055751137 LFDQWAUTIGTPDD-NRFANRHFSA-N 371.481 2.189 0 40 FEAB Cc1nnc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c2ccccc12 2086865115 LPDCUFRTPYUJPF-CQSZACIVSA-N 360.483 2.331 0 40 FEAB CSc1nc(C)cc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298187911 AYRDRBZFEKAAMV-UHFFFAOYSA-N 352.529 2.299 0 40 FEAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 40058187 OVOKFRPKBQGMIG-SNVBAGLBSA-N 361.398 2.445 0 40 FEAB Cn1ccnc1[C@@](O)(CC(=O)NCCc1ccccc1F)C(F)(F)F 40040283 QWCOEVBGDLXHMF-HNNXBMFYSA-N 359.323 2.058 0 40 FEAB Cc1cc(O)c2c(C)c(CC(=O)NCCCCCC(=O)O)c(=O)oc2c1 20412582 WHCQSOWJJSADFA-UHFFFAOYSA-N 361.394 2.419 0 40 FEAB biogenic COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 32795405 VATWQLVFFSYZHR-GFCCVEGCSA-N 369.259 2.263 0 40 FEAB CCOC(=O)[C@@H]1SC(SCc2cc(C(=O)OC)c(C)o2)=NC1=O 102860698 ZPJJHOAHXWLDGV-SNVBAGLBSA-N 357.409 2.169 0 40 FEAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCCNC1=O 47212561 BPYKVFDTAZKEBD-INIZCTEOSA-N 357.410 2.269 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCC[C@@H]4C)c(=O)c23)C1 1331894 GCARXHKXSCECOY-RYUDHWBXSA-N 360.483 2.379 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc3cnccc23)C1 47325286 IKVAGNVKMMWOOH-ZDUSSCGKSA-N 362.455 2.028 0 40 FEAB NC(=O)C1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 23683117 PLIBSSGTMCQYIN-UHFFFAOYSA-N 368.433 2.482 0 40 FEAB COC(=O)N1[C@]23CCC[C@]12[C@@H]1C=C[C@@H]3[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100969059 QGYAHABCWKICOX-DLSCOFSKSA-N 364.401 2.352 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 8476224 IMPFKDJNHVFKBL-LLVKDONJSA-N 359.455 2.471 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 24039559 NLQGMCFPKYXZEX-MRXNPFEDSA-N 351.406 2.033 0 40 FEAB COCCCNC(=O)[C@@H](C)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 106122946 XDMDGLBYVDPXGP-QLFBSQMISA-N 367.465 2.392 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)N[C@@H]2CCOc3ccccc32)cc1 24985122 WBKFRDOHIOMQIJ-QGZVFWFLSA-N 355.390 2.421 0 40 FEAB Cc1cc(=O)c(C(=O)NCCc2nc3ccccc3[nH]2)nn1-c1ccccc1 12529413 HFZZEPYDQXEQQO-UHFFFAOYSA-N 373.416 2.390 0 40 FEAB NC(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 9908645 LUWAOYLEUSFFLB-UHFFFAOYSA-N 369.465 2.447 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 108349581 VXAOOLOLKMEYCY-YRGRVCCFSA-N 352.456 2.269 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3=O)cc1 20633937 CKBQENJFSJKSLS-UHFFFAOYSA-N 374.422 2.063 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58201159 HPAFXPSEIQRPCD-ZFWWWQNUSA-N 360.454 2.014 0 40 FEAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 2104049 ROEFHITVKXHEOH-OEMYIYORSA-N 355.434 2.210 0 40 FEAB biogenic O=C(Nc1cccc(-c2nnco2)c1)c1ccc(S(=O)(=O)NC2CC2)o1 24742364 VWAJHGKNKVAOKS-UHFFFAOYSA-N 374.378 2.023 0 40 FEAB O=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCCCC1 48279451 MBLXOKOEVXCSDG-UHFFFAOYSA-N 361.467 2.481 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(OC)c1OC 2296349 SQSUNFJACUILLC-GFCCVEGCSA-N 359.378 2.282 0 40 FEAB CC1CCN(c2nnc(S[C@H]3CCOC3=O)n2C[C@H]2CCCO2)CC1 95349064 HOKCDJFYQVXPKA-KGLIPLIRSA-N 366.487 2.101 0 40 FEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1cnn(C)c1)CC3 29159785 ZSKQFFOXOKAMNQ-ZZXKWVIFSA-N 364.405 2.286 0 40 FEAB O=C1COc2ccc(S(=O)(=O)NCCCOC3CCCCC3)cc2N1 29348059 AZUDZWHMCAVXFN-UHFFFAOYSA-N 368.455 2.035 0 40 FEAB NC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 29339224 SDYMHBLQDJTNKP-UHFFFAOYSA-N 351.244 2.205 0 40 FEAB Cc1csc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 171001281 JYAKVCPJRRLHNH-UHFFFAOYSA-N 351.497 2.099 0 40 FEAB NC1=Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 48356224 SCDMVJNVOSDYMK-QGZVFWFLSA-N 373.376 2.251 0 40 FEAB O=C(CCN1CCC[C@H]1C(=O)NCC(F)(F)F)Nc1ccc(F)cc1 54992048 GLYXLDWPXPBRIX-ZDUSSCGKSA-N 361.339 2.297 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cs1 46495290 BONAQWRBNIYLDE-UONOGXRCSA-N 351.472 2.450 0 40 FEAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 64725773 ZCQQJIUKNBKPFU-BBWFWOEESA-N 371.481 2.276 0 40 FEAB CN(Cc1ccc(-c2ccncc2)cc1F)C[C@H](O)CN1CCOCC1 93583067 CRPIRWUSIQLQBR-IBGZPJMESA-N 359.445 2.013 0 40 FEAB O=C(NCCNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F 65730947 OFGVFFRKXSSAMA-UHFFFAOYSA-N 370.424 2.420 0 40 FEAB C[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 97250765 QJNSEEWRALTBPE-CMPLNLGQSA-N 359.253 2.343 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 8074149 LRLFXQXRVOOXHN-UHFFFAOYSA-N 374.418 2.417 0 40 FEAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1cn2ccsc2n1 70037362 XSMAYJVCRJXNQA-UHFFFAOYSA-N 372.494 2.345 0 40 FEAB CCCOC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@H](C)C2 17075722 XYVKIYVPZBZVFM-JTQLQIEISA-N 369.439 2.479 0 40 FEAB CCCN(CC(=O)NC(=O)NCC(C)C)[C@H](C)C(=O)Nc1ccccc1 69951106 UHRUBNHHHLPWBZ-OAHLLOKOSA-N 362.474 2.207 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC(=O)NC(C)C)n2n1 8704525 OIRLDVCARAEXEY-JTQLQIEISA-N 372.454 2.301 0 40 FEAB CNC[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541366 QIZZCFPLLRZODQ-JTQLQIEISA-N 367.334 2.439 0 40 FEAB CNC(=O)c1cccc(C(=O)O[C@H]2CCS(=O)(=O)c3ccccc32)c1 89391934 BADVRFWHBKREIW-HNNXBMFYSA-N 359.403 2.122 0 40 FEAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 89363720 HQFNHCLAHDHZHF-MRXNPFEDSA-N 371.462 2.260 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@@H]2C1 306135722 OYUOHALIBIPHAG-KGLIPLIRSA-N 371.510 2.235 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 21871933 LUMKJOWRBZJZOT-SOUVJXGZSA-N 368.499 2.259 0 40 FEAB COCCCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217579652 XFXJXJVYRDRCIG-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB COC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 71328947 LVAFXTOGUVXPOT-GFCCVEGCSA-N 356.357 2.093 0 40 FEAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 41058338 UUBIERXLNZSFAJ-MRXNPFEDSA-N 354.447 2.381 0 40 FEAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225224456 JEDXZEHOFSJYDF-KBPBESRZSA-N 356.488 2.319 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 96111713 UKHDNRPAEHMCMI-RDJZCZTQSA-N 352.390 2.334 0 40 FEAB biogenic,in-vitro OCCN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 95481318 WKFFQDCATTWDMU-UHFFFAOYSA-N 350.466 2.195 0 40 FEAB COc1cc(N2CCC3(CC2)COCCN(c2cccnc2)C3)ncn1 96239977 OBQZANYCIJHKJT-UHFFFAOYSA-N 355.442 2.004 0 40 FEAB CN(C)CCCNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96037655 RWFNNBJBOYLTHP-UHFFFAOYSA-N 370.501 2.103 0 40 FEAB Cc1cccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccncc2)n1 96058004 HQEBLULUHPBGPM-IPMKNSEASA-N 353.422 2.374 0 40 FEAB c1ccc(CN2CCOC[C@]3(C[C@H](CNc4ccccn4)CO3)C2)nc1 96240441 MYCMLSNFVDBMNQ-XLIONFOSSA-N 354.454 2.196 0 40 FEAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 96080783 LWNVEVLPLKQOKF-KBPBESRZSA-N 362.417 2.419 0 40 FEAB O=C1NC2(CCN(C(=O)Cc3cccs3)CC2)C[C@H]1c1ccncc1 96069653 QOZQNTBEYHXPTE-INIZCTEOSA-N 355.463 2.351 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 96111733 MAQCXDODBWUFDO-YOEHRIQHSA-N 372.446 2.182 0 40 FEAB biogenic,in-vitro CCOC(=O)[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242701946 WUDWCYMAKWHYLQ-SCTDSRPQSA-N 359.447 2.195 0 40 FEAB O=C(Cc1cccs1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247842317 FXFNMPUXIWDJJW-CQSZACIVSA-N 358.467 2.200 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(N)=O 257310079 UDPQQDKSADMSJI-HNNXBMFYSA-N 370.428 2.280 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccsc1 25814623 PTVJRLMEIDVCHE-AWEZNQCLSA-N 352.481 2.184 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2cccc(-c3nccs3)n2)CC1 257299064 ROPFKGBRTGHIJH-UHFFFAOYSA-N 352.485 2.191 0 40 FEAB CN1C(=O)C[C@H](C(=O)Nc2c3c(nn2C)CSC3)[C@@H]1c1ccccc1 604419035 OASJJQSFURNHQB-LRDDRELGSA-N 356.451 2.325 0 40 FEAB Cn1cc(O[C@@H]2CN(Cc3cccc(-c4ccccn4)c3)C[C@H]2O)cn1 628376130 GLPUDRHJUQMXKQ-WOJBJXKFSA-N 350.422 2.106 0 40 FEAB CN1C(=O)C(C)(C)c2cc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)ccc21 659125700 LZTUFLFOHGKBTP-AWEZNQCLSA-N 374.437 2.037 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@@H]1c1ccc(O)cc1 95115995 VAUSJGRCQOMLSM-GOSISDBHSA-N 371.462 2.464 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 575406422 PBDXYCXHFSOCCZ-CQSZACIVSA-N 354.401 2.070 0 40 FEAB O=C(NC[C@@H](O)c1ccc(F)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 31316489 YNNUFCMTWBTFKJ-QZTJIDSGSA-N 372.396 2.407 0 40 FEAB O=C1COc2ccc(C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)cc2N1 61165274 FHRHXFKSVYWTEY-GOSISDBHSA-N 366.373 2.194 0 40 FEAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc(CC(=O)O)cc1 1547200796 GFFRNDFUHXYKST-UHFFFAOYSA-N 351.362 2.299 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161145 VUXJROGXGURUNN-LJQANCHMSA-N 355.394 2.021 0 40 FEAB CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O 5060682 ZOLZDFUCERWWEP-CQSZACIVSA-N 369.421 2.405 0 40 FEAB COc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CC2)cc1 12114869 WXTZKBUKGIVYQI-UHFFFAOYSA-N 363.421 2.266 0 40 FEAB Cc1c(CC(=O)NCCN(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12894555 AOHVZWAAZLJTQX-UHFFFAOYSA-N 372.465 2.425 0 40 FEAB biogenic COc1ccccc1OCC(=O)N1CCC[C@H]1c1cc(CN(C)C)n(C)n1 19709098 UJPNTSAEWAUSMQ-KRWDZBQOSA-N 372.469 2.233 0 40 FEAB CC(=O)N1CCN(c2cc(C)nc([C@H]3CCN(C4CCOCC4)C3)c2)CC1 19739081 HLHAWLNYSWYCJH-SFHVURJKSA-N 372.513 2.027 0 40 FEAB CO[C@@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)C[C@H]1c1cnn[nH]1 622166720 UGEYYHNIRHWAIX-DZGCQCFKSA-N 353.382 2.023 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13278374 NVOODSGLWRNOSC-UHFFFAOYSA-N 360.391 2.095 0 40 FEAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@H]1CCCC[C@H]1C 36415413 BPKWXPILWZNTSW-WWGRRREGSA-N 371.437 2.174 0 40 FEAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4ccsc34)CC2)n1 1889139245 QFHJZQBNRVSUAT-UHFFFAOYSA-N 355.471 2.182 0 40 FEAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4cnc(C)nc4)C3)C2)n1 2056223922 HNLSCIDOFVJQEH-FQEVSTJZSA-N 366.469 2.406 0 40 FEAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)O 5257672 IMNVVVNEHLXAML-KRWDZBQOSA-N 371.437 2.487 0 40 FEAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccccc1 5328952 SEJSRUUJIUOENC-UHFFFAOYSA-N 366.464 2.336 0 40 FEAB CC[C@@H](C(=O)N1CCN(c2ccnc(OC)c2)C(=O)C1)c1ccccc1 1775973673 QHAXSXVOAVANDD-QGZVFWFLSA-N 353.422 2.459 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccs1 23107827 RWIFRWFGDYBWEB-CYBMUJFWSA-N 368.480 2.101 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cn1 606440603 HEEMGELJQWYGKN-NSHDSACASA-N 369.493 2.222 0 40 FEAB C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)Cn1cccn1 40154835 ZNSMRYFDABUSCM-RDJZCZTQSA-N 372.444 2.327 0 40 FEAB COCCN(C(=O)c1nn(-c2ccc(C)cc2C)nc1C)[C@H](C)COC 40157005 HEOGHHKVZKCVDM-OAHLLOKOSA-N 360.458 2.316 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc2c1CCCC2 100813964 URKJSKVDJFPMFH-LSOMNZGLSA-N 350.418 2.311 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)c1 51356978 WICNWUHXCANCMW-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB CC(=O)NCCCCCC(=O)NCCc1nccn1Cc1ccccc1 32314832 SIGHAFWGSMYGNH-UHFFFAOYSA-N 356.470 2.287 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707690 JCKAEMDEHYREOT-MRXNPFEDSA-N 368.433 2.494 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)NCC1(c2ccccc2)CCC1 22343641 XVTVEPPVSKZQTM-UHFFFAOYSA-N 372.465 2.170 0 40 FEAB S=C(NC[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 1325574 VOVMPJCXEXIJRJ-CYBMUJFWSA-N 362.524 2.472 0 40 FEAB O=C1C[C@H](C(=O)N2CC[C@@H](OCc3ccccn3)C2)c2ccc(F)cc2N1 79110116 HQFGHRHOZFLFHT-WBVHZDCISA-N 369.396 2.464 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)Cn1cnc3ccccc31)C2=O 4733192 MJHYAWVSCVHURZ-JZKQVHKSSA-N 355.438 2.209 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1 6996618 DUIYDIILKGBDKY-UHFFFAOYSA-N 372.447 2.092 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc(C)ccc2OC)cc1OC 7667876 XUAFJFWZIQRKRV-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB O=C(Nc1ccc(-n2cccn2)nc1)Nc1cnn(C[C@@H]2CCCO2)c1 54411478 VJQGNHHKXAIOOM-HNNXBMFYSA-N 353.386 2.287 0 40 FEAB Cc1cc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)c(C)s1 7763275 FYKGZZCSSLFUAO-UHFFFAOYSA-N 365.432 2.366 0 40 FEAB CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)S(=O)(=O)CC)c1C 1080837 XLSRDBYGGUHYBC-CQSZACIVSA-N 372.487 2.139 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)s1 1466196 VDOBKDBMCZPSNS-SNVBAGLBSA-N 358.423 2.360 0 40 FEAB O=C(O)c1sccc1S(=O)(=O)NCCCn1cnc2ccccc21 12525543 MBYGZFVQRNUJIY-UHFFFAOYSA-N 365.436 2.165 0 40 FEAB CN(c1ccccc1)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 57083892 SXFAPUZXVQRVSF-UHFFFAOYSA-N 362.437 2.403 0 40 FEAB CC1CCN(C(=O)CN2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 97137932 IDSVNWKRUJIHCQ-UHFFFAOYSA-N 361.461 2.232 0 40 FEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 12525252 GMDURYZVVAZNRA-GFCCVEGCSA-N 368.393 2.196 0 40 FEAB O=c1[nH]ncc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1Cl 58161772 JUUPHHCCTZEUMD-UHFFFAOYSA-N 363.801 2.312 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(Cn2cccn2)cc1 12626379 NYKKHWHCGINTFR-UHFFFAOYSA-N 366.396 2.117 0 40 FEAB CC1CCN(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 58323928 PUEHWSXTTWHFKK-UHFFFAOYSA-N 373.906 2.173 0 40 FEAB COc1ccccc1NC(=O)CC[C@H]1N=C(O)N(Cc2ccco2)C1=O 36594981 TXTVWDMGEPJMSA-CQSZACIVSA-N 357.366 2.332 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2402769 JDRAQFXCNZIIPO-DGUMQOSSSA-N 357.406 2.101 0 40 FEAB CCN(C(=O)COC(=O)c1cccc(-n2cnnn2)c1)C1CCCCC1 3447168 VTRQMMCCQYJDOF-UHFFFAOYSA-N 357.414 2.000 0 40 FEAB CC(C)CNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3572859 ULASWXXMQIOXDS-UHFFFAOYSA-N 365.433 2.254 0 40 FEAB O=C(CNC(=O)c1ccccc1Cl)NCc1ccc2c(c1)OCCO2 12994885 PSTQBHIHSPMNQV-UHFFFAOYSA-N 360.797 2.157 0 40 FEAB CC(=O)Nc1ccc(OC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 48825214 HRFVRHNPJZDYML-UHFFFAOYSA-N 363.373 2.474 0 40 FEAB NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 5016991 BWRXIZVVJWDPRY-GFCCVEGCSA-N 352.847 2.355 0 40 FEAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005216 UHSVHOJIHJMYRX-CYBMUJFWSA-N 359.879 2.135 0 40 FEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Cn1nc(C)cc1C 13985331 BNRGQIJCPQIVMN-UHFFFAOYSA-N 362.861 2.318 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 4476502 LTCWCMYTDCCEEW-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cn1nnc2ccccc21 14166504 WFIZUBJDDMGXNS-UHFFFAOYSA-N 351.410 2.145 0 40 FEAB COc1ccc(NC(=O)COc2ccccc2Cl)cc1S(N)(=O)=O 6602894 PNGDXSSNOXEHJF-UHFFFAOYSA-N 370.814 2.014 0 40 FEAB Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 9458686 FIPGEBIMAALMTO-SECBINFHSA-N 365.436 2.277 0 40 FEAB CC(C)n1nccc1NC(=O)COC(=O)c1cnn(-c2ccccc2)c1 14897562 UXCOPARFDNHRLT-UHFFFAOYSA-N 353.382 2.445 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67091906 ZJLKZDRJOMMULK-HUUCEWRRSA-N 359.401 2.053 0 40 FEAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 7248486 QVIIBTUXCIADBV-INIZCTEOSA-N 371.524 2.009 0 40 FEAB Cc1cccc(CNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 15842680 FSNFBYOZMDVIOR-CQSZACIVSA-N 372.446 2.238 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599215 ZXEFVHBTMWJQRQ-GOSISDBHSA-N 360.479 2.431 0 40 FEAB CC[C@@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 114604113 NZWCXMKHKYFZHF-GJZGRUSLSA-N 359.392 2.350 0 40 FEAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 8231090 SKXODULTXZVXIC-GOSISDBHSA-N 358.463 2.411 0 40 FEAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H](CO)c1ccccc1 88405335 GXGOVLHXMXMQBS-CQSZACIVSA-N 354.435 2.414 0 40 FEAB C[C@H](NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2)C(=O)NC(C)(C)C 95960472 DELZYRYZBZBGPP-ZJUUUORDSA-N 374.890 2.245 0 40 FEAB CC(C)(O)[C@H]1CCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 89761606 XZHQHBNLZUBCJF-MRXNPFEDSA-N 361.417 2.066 0 40 FEAB O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 89818789 HDMJRSUTGKKTRW-ARFHVFGLSA-N 354.516 2.054 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(CN)C(=O)O)cc1 218627720 ANFAEMZBMOTOPN-XYJFISCASA-N 363.410 2.104 0 40 FEAB COCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1ccccc1 35315787 PDULTWFZFOXKAY-QGZVFWFLSA-N 356.378 2.432 0 40 FEAB O=C(C1CCCCC1)N1CCC(NC(=S)NC[C@H]2CCCO2)CC1 36844876 UPFDKMOXHRELPU-MRXNPFEDSA-N 353.532 2.201 0 40 FEAB CC(C)[C@H](N)C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 79393288 LFQIERFXQADJQV-SFHVURJKSA-N 361.486 2.477 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nc2ccccc2s1 36239830 AFWFXIKSAUXHET-UHFFFAOYSA-N 370.434 2.286 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218617157 XTWMIXZNVMMWMP-ZHALLVOQSA-N 359.447 2.279 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C(=O)O)cc2)CC1 40447868 MSHBUESTDSAMJA-UHFFFAOYSA-N 350.415 2.316 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)nn1 570024944 BKUJMOXCIHEVCX-DYVFJYSZSA-N 356.401 2.406 0 40 FEAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCO)c1ccccc1 223544998 CAHVFPGFZFXSTR-HXUWFJFHSA-N 370.449 2.284 0 40 FEAB COC[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)CN1Cc1nccs1 96240347 QIVFZBMZJJEXBW-HOTGVXAUSA-N 351.516 2.235 0 40 FEAB CN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1cccn1C)CC2 96199501 QQAKWUFSCJNJNU-MRXNPFEDSA-N 352.438 2.041 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@H](COc2cccnc2)C3)no1 96209584 MCXFNYMQDKLANV-INIZCTEOSA-N 357.410 2.468 0 40 FEAB Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ccccn2)cc(C)n1 247864496 IAGPRVQGGZYDTF-QGZVFWFLSA-N 353.422 2.404 0 40 FEAB CC(=O)N1[C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@@H]2C[C@]1(C)CO 257261362 LHACBFSWZUIBSL-YQQAZPJKSA-N 358.429 2.032 0 40 FEAB O=C(O)c1occc1CNCc1cccc(NS(=O)(=O)C2CC2)c1 1602591309 ZFFKLCQRAQYICM-UHFFFAOYSA-N 350.396 2.172 0 40 FEAB CC(=O)NCC(=O)N1CCC2(CC1)Oc1cc(C)ccc1[C@H]1OCCC[C@@H]12 257328788 XHDHFQZWATUOSQ-FXAWDEMLSA-N 372.465 2.352 0 40 FEAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1C(F)(F)F 257272347 NCBOBFCOROAOEK-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB Cc1noc([C@H]2CN(C(=O)N[C@H]3C[C@@]3(F)c3ccccc3)C[C@@H](C)O2)n1 624245550 IWTBOJLMDXVJGJ-ZKRNXSKHSA-N 360.389 2.487 0 40 FEAB CON1CCC(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 666026777 JTUOSMHPDLDGDD-UHFFFAOYSA-N 359.470 2.089 0 40 FEAB Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]2O)c1 585267817 GFEPFLDICFGQQK-SFTDATJTSA-N 357.450 2.299 0 40 FEAB O=C(COc1cccc(Cl)c1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093357 QVAKRCRFFLXENH-HNNXBMFYSA-N 358.772 2.093 0 40 FEAB O=C(C1CC(F)C1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 585103440 PCUITMSVKRYQBJ-HWOWSKLDSA-N 363.433 2.249 0 40 FEAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(CN2CCCC2=O)c1 97144071 SICYOXCEDHWNHY-IBGZPJMESA-N 367.449 2.361 0 40 FEAB O=C1C[C@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 105698156 NQQBCDMIVGTFLZ-HXUWFJFHSA-N 356.422 2.026 0 40 FEAB Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccnn3C)nn2c(O)c1C 12161600 UEDZHOXAZMUYPW-AWEZNQCLSA-N 354.414 2.153 0 40 FEAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCc3ccco3)c(=O)c21 12183615 HJGVXQDIQKRHKR-UHFFFAOYSA-N 354.366 2.182 0 40 FEAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ncc(Cl)cc1Cl 14184925 CIHDUXWEGWIRSG-RXMQYKEDSA-N 360.226 2.173 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@@H]2C=C[C@H]1CC2 17075600 DNEIWPBFXZVYKF-FYQPLNBISA-N 368.477 2.286 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)c2ccccc2C)c1=O 17964145 PMCKTOWSVKFMGE-OAHLLOKOSA-N 365.433 2.369 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)c(OC)c1OC 19880180 IJRIWHYBMOGDFH-UHFFFAOYSA-N 371.437 2.065 0 40 FEAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225730015 DSZLLZWTXNMZII-LBPRGKRZSA-N 360.332 2.423 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)nc3)CC2=O)c(OC)c1 10742372 UEZXWHKNFPHVFN-LBPRGKRZSA-N 371.393 2.099 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@H](Cc2cncc(-c3nccn3C)n2)C1 1848353190 UOTOUGHJLGESCM-CYBMUJFWSA-N 368.466 2.347 0 40 FEAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4Cc3cccnc3)cn2c1 1565552085 JLQXWCQLKMUJCJ-OALUTQOASA-N 361.449 2.413 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952127 HVHRWWKRUNEBCB-OAHLLOKOSA-N 365.433 2.217 0 40 FEAB CC(C)c1nnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884585 QBTHFWXNDKDRIJ-LLVKDONJSA-N 360.430 2.124 0 40 FEAB Cc1cc(N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)ncn1 585415109 CEMUHSUOGOEUOB-RYUDHWBXSA-N 350.348 2.166 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)cc3cccc1c23 5553242 YJOFRZQTSFBNHU-UHFFFAOYSA-N 366.398 2.202 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1C 35876742 IFJRSYFVCMLTAZ-HNAYVOBHSA-N 351.450 2.461 0 40 FEAB Cc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)ccc1-n1cnnn1 40079877 ZICXMNRWZIEYQC-UHFFFAOYSA-N 359.393 2.086 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1Cc3ccccc3C(=O)O1)CC2 40162059 PNMLKNNEBRGXIP-IBGZPJMESA-N 367.401 2.370 0 40 FEAB COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)OCC(=O)c1ccc(OC)cc1 100399375 ONFSNMPRGOMFHO-UJWMZTGESA-N 370.401 2.278 0 40 FEAB CCn1c(SCC(=O)NCc2ccccc2F)nc2ncccc2c1=O 31614145 VSPCJJDDXMGDEV-UHFFFAOYSA-N 372.425 2.359 0 40 FEAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101121337 UDEGEESKVKSFDT-WBVHZDCISA-N 352.321 2.321 0 40 FEAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101178232 KXJMSGDMBNHJMB-ZBFHGGJFSA-N 370.748 2.361 0 40 FEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1O 32855798 RXVQZHBGLXAFTH-MRXNPFEDSA-N 373.434 2.094 0 40 FEAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1 1378437 UTFYUGWCALSUJA-UHFFFAOYSA-N 374.466 2.248 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCc1ccccc1F 53556605 CXVWSCBEGVFIKW-UHFFFAOYSA-N 354.385 2.446 0 40 FEAB Cc1ccccc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 23079573 PVUCZZFAFJWRSH-UHFFFAOYSA-N 358.463 2.361 0 40 FEAB COC(=O)Cn1ncc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1=O 101915366 ZZCBUGJGWJSTEP-DIFFPNOSSA-N 353.850 2.475 0 40 FEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 23732069 ALNIUNRGADFTJD-SFHVURJKSA-N 357.797 2.406 0 40 FEAB Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 23732932 JFMUTVRJHUQHRY-UHFFFAOYSA-N 361.467 2.047 0 40 FEAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCO[C@@H](c2ccccc2)C1 103469586 PHZXMYLDEOOGAE-BPQIPLTHSA-N 355.442 2.080 0 40 FEAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298506 NHSMDRBINKNYSU-AHRSYUTCSA-N 371.529 2.390 0 40 FEAB biogenic,in-vitro O=C(Cn1cnc2sccc2c1=O)NCc1nc2ccccc2s1 43007741 FUBOIDJKTSBKPZ-UHFFFAOYSA-N 356.432 2.384 0 40 FEAB CC1CCC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 24649925 FEGFKYISFXKGOR-UHFFFAOYSA-N 366.483 2.016 0 40 FEAB O[C@H](COc1ccc(Cl)cc1)CSc1nnnn1C[C@H]1CCCO1 24832105 CUWMYSNNGMCSIX-TZMCWYRMSA-N 370.862 2.038 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNCc1c[nH]nc1-c1ccccc1 48040398 KJPRVIPIVSCIKP-UHFFFAOYSA-N 370.478 2.416 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 24840581 RZGUVOKIFJYDPK-INIZCTEOSA-N 359.403 2.119 0 40 FEAB COc1ccccc1Nc1ncccc1C(=O)N[C@@H]1CCCCNC1=O 56977589 CGDLIFWUNBQVEE-OAHLLOKOSA-N 354.410 2.232 0 40 FEAB O=C(Nc1ccnn1Cc1ccsc1)c1cccc(-n2cnnn2)c1 57746102 CMBXMXSMSFTSLT-UHFFFAOYSA-N 351.395 2.221 0 40 FEAB Cc1ccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)N(C)C)cc1 58178669 SYBJHVRXWQDZGW-LJQANCHMSA-N 364.449 2.124 0 40 FEAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCn1ncc(=O)c2ccccc21 58148154 XXNNGPMYNGQQRQ-GOSISDBHSA-N 367.453 2.214 0 40 FEAB CCOc1cccc([C@H](C)NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 58277550 WBIJDAGAMGEXLD-WFASDCNBSA-N 357.497 2.183 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108324942 UZUQNEUUYHKYPF-OVWQWFNUSA-N 372.465 2.209 0 40 FEAB CCC(C)(C)NCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 12782264 CAUCHNPQMFJXCV-UHFFFAOYSA-N 355.504 2.432 0 40 FEAB CCNC(=O)CN(CC)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58431466 KRWBNFADOZVYAH-GOSISDBHSA-N 360.502 2.066 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1C(=O)c2ccccc2C1=O 10891231 BUMKNTIFVKPHPJ-YVEFUNNKSA-N 367.357 2.054 0 40 FEAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C[C@H]2CCCO2)c1 2428796 IWUPGZSGWQLTCG-OAHLLOKOSA-N 353.422 2.193 0 40 FEAB O=C(CNC(=O)c1ccco1)NCc1ccc(COCC(F)(F)F)cc1 11483448 UETBJPCTURMEJI-UHFFFAOYSA-N 370.327 2.405 0 40 FEAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898830 JOXSNIOKNJTWJG-KRWDZBQOSA-N 361.467 2.264 0 40 FEAB biogenic,in-vitro CC(C)(C(=O)N1CCN(c2cn[nH]c(=O)c2Cl)CC1)c1ccccc1 29530876 POXHWYLCZVBKMD-UHFFFAOYSA-N 360.845 2.050 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Cl)cn1 48363185 VXQFUMBOMKLVCC-UBHSHLNASA-N 351.834 2.480 0 40 FEAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl 12863912 QWAHMWTVBDCOQS-KRWDZBQOSA-N 373.840 2.051 0 40 FEAB Cn1cc(C(=O)OCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cn1 12848396 LTLPUGKEKHZJPC-UHFFFAOYSA-N 370.312 2.243 0 40 FEAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NC(=O)NC1CCCC1 3495415 CQUGKHMERQAIQO-UHFFFAOYSA-N 356.325 2.213 0 40 FEAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC(O)CC2)cs1 13004586 HKLBKKUEFBUUIJ-UHFFFAOYSA-N 357.479 2.464 0 40 FEAB CC(=O)Oc1ccc2c(C)c(CCC(=O)N3CCC(=O)CC3)c(=O)oc2c1 9184147 ASJVGOOMRRKNHH-UHFFFAOYSA-N 371.389 2.151 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCC1 9226139 UASSECDYCVECMG-JTQLQIEISA-N 360.863 2.074 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)NC12CC3CC(CC(C3)C1)C2 5279005 SFRLEXRQGRFWEE-UHFFFAOYSA-N 372.465 2.333 0 40 FEAB c1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccncc3)n2)cc1 65563093 XTMAQZPFPKXCLC-LJQANCHMSA-N 350.422 2.439 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)no1 14190688 OFFIAXREPJDSDH-UHFFFAOYSA-N 362.345 2.228 0 40 FEAB CCCCS[C@@H](C)C(=O)NC1CCN(c2ncnc3[nH]cnc23)CC1 84746804 FHSSDHZMCXDRSX-LBPRGKRZSA-N 362.503 2.360 0 40 FEAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CC(=O)Nc2ccccc21 9336344 DQLBSGOUFCDBRX-LBPRGKRZSA-N 371.466 2.470 0 40 FEAB CCC[C@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975986 ABQWWDQYHLPSSF-SRVKXCTJSA-N 354.476 2.264 0 40 FEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccs1 19819728 PCJIRNJKZQZXLE-CQSZACIVSA-N 360.435 2.280 0 40 FEAB O=C(NCCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95472587 UYSMPWXZCXMGQP-LLVKDONJSA-N 356.357 2.007 0 40 FEAB COc1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)c(OC)c1 8704480 XPVYDVQCBXUAGQ-CQSZACIVSA-N 363.439 2.126 0 40 FEAB CCN1CCCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1=O 97105160 LROFTZUUPWEKPR-UHFFFAOYSA-N 373.434 2.233 0 40 FEAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c(C)s1 95458974 KZLFTBLNYVZJEQ-CQSZACIVSA-N 369.512 2.477 0 40 FEAB CC(C)[C@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2C[C@@H]1C 95948022 QDEHBUDTBRUUFS-LRDDRELGSA-N 354.410 2.218 0 40 FEAB CCOC(=O)N[C@@H](CNC(=O)CCNC(=O)c1ccccc1)CC(C)C 36392733 FVIKYUUHUVMYBE-MRXNPFEDSA-N 363.458 2.084 0 40 FEAB CN(CC1(CO)CCOCC1)c1nc(-c2ccccc2)nc2c1CCNC2 67790164 XHOZJZSEDOGMSO-UHFFFAOYSA-N 368.481 2.015 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccco2)C1 25319858 YLBUZXPBRKAJGS-LSDHHAIUSA-N 370.405 2.088 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc(OC)c1 504559736 UBSWMRBDSSRSKQ-UHFFFAOYSA-N 353.382 2.299 0 40 FEAB Cn1cc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c2ccccc21 32104747 DDXKUZAJDDCQBD-UHFFFAOYSA-N 353.397 2.406 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)C1CCOCC1 530627612 SPIUQDNYVBUGRB-UHFFFAOYSA-N 370.497 2.275 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)c1 36071065 VMZDROVYGAAEGQ-GOSISDBHSA-N 370.474 2.434 0 40 FEAB Cc1nc(NCCCN2CCOCC2)c2cnn(-c3ccccc3)c2n1 31623517 BNTFBTDWQJDNMN-UHFFFAOYSA-N 352.442 2.258 0 40 FEAB O=C(CNC[C@@H]1CCCO1)Nc1ccc(C(=O)N2CCCCCC2)cc1 35311537 SVAQAHMMZWLQEG-SFHVURJKSA-N 359.470 2.410 0 40 FEAB CCc1noc(-c2cccc(OCC(=O)Nc3ccc(C(N)=O)cc3)c2)n1 33012491 VKFHJLBBBOTJAS-UHFFFAOYSA-N 366.377 2.415 0 40 FEAB Cc1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1F 238813749 AYEXQSWPLDAEPU-IAGOWNOFSA-N 370.424 2.229 0 40 FEAB O=C(c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1)N1CCOCC1 49544656 VZYYZKMJJQALEY-UHFFFAOYSA-N 358.348 2.414 0 40 FEAB C[C@H](O)c1ccc(CCNS(=O)(=O)c2cccc3nsnc23)s1 225689469 STXKSJBMOSWZKX-VIFPVBQESA-N 369.493 2.327 0 40 FEAB CSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)s1 225737898 CBOKXPVSJIGXLG-UHFFFAOYSA-N 358.470 2.192 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1noc(C(C)(C)C)n1 40153516 OQNXOYHERXNTFI-LLVKDONJSA-N 352.460 2.208 0 40 FEAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCOCC)ccc21 225725799 LFCMUXWHDIOYFR-UHFFFAOYSA-N 358.485 2.178 0 40 FEAB COCCC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244377 AYZMNYKPKOHVKM-FQEVSTJZSA-N 353.422 2.180 0 40 FEAB Cc1nnc(N2Cc3ncn(C)c3[C@H](COCc3cccnc3)C2)s1 96045028 IEFPWNJJHJLCOM-AWEZNQCLSA-N 356.455 2.296 0 40 FEAB O=S1(=O)c2ccccc2O[C@H]2CCNCC[C@@H]2N1Cc1ccccc1 96263945 QERQFGPBKBKKPW-IRXDYDNUSA-N 358.463 2.391 0 40 FEAB CN(C)C(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(c1ccccn1)C2 96056120 HNQJIOSHMRESEN-UWJYYQICSA-N 368.481 2.481 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCn2cnc(COCC3CC3)c2C1 96260194 FNPUOJPOWXCAAT-UHFFFAOYSA-N 365.430 2.153 0 40 FEAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@H]32)n1 96248839 SHUFNHVZPKQVQJ-MOPGFXCFSA-N 355.438 2.325 0 40 FEAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@H]1c1ncon1 246483690 CNPCRTGOZIMYKB-ROUUACIJSA-N 370.453 2.414 0 40 FEAB C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 249554374 LPNMDWJLJJQHOW-JTDSTZFVSA-N 372.513 2.242 0 40 FEAB CSCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 240122357 VXBPHHVBLYNBKJ-BZUAXINKSA-N 365.499 2.146 0 40 FEAB CCc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257233231 GOIYJUNZSLWYCH-IBGZPJMESA-N 358.442 2.044 0 40 FEAB Cc1ncccc1O[C@H]1CCN(C(=O)CCc2cccnc2)CC[C@@H]1O 257325928 WVBIIEARXXZILD-HKUYNNGSSA-N 355.438 2.149 0 40 FEAB Cn1ccnc1CN1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 257223182 DWHAEZMZXWSNNQ-AWEZNQCLSA-N 350.430 2.123 0 40 FEAB Cc1ncc(CNC(=O)c2n[nH]c3c2CCCC3)c([C@H]2CCCN2C)n1 257199821 AAXQAIPUEZQJOJ-MRXNPFEDSA-N 354.458 2.084 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)cc1 257204883 AWRWMLIKAGHCTN-GOSISDBHSA-N 354.454 2.453 0 40 FEAB O=C(CN1CCC[C@](O)(COc2ccccc2)C1)NCc1ccc(F)cc1 257249383 JIBHCIXRMFKOTD-OAQYLSRUSA-N 372.440 2.348 0 40 FEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257336397 YOFLPAYXYITHGB-CQSZACIVSA-N 352.394 2.168 0 40 FEAB COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccccc1)OC 96385143 AMOTYTYCXBJDND-KBXCAEBGSA-N 356.422 2.376 0 40 FEAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1 96376120 RUKJRMXJKUUSFX-UHFFFAOYSA-N 360.435 2.169 0 40 FEAB NC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 646076386 YPQVBNYAUDXASQ-UTKZUKDTSA-N 365.433 2.462 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1 680538687 OXQOXOPGCWVLSN-IXDOHACOSA-N 355.456 2.090 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCOCC2)C3)c1 585104167 MCHNUCPTFOPLET-LJQANCHMSA-N 358.482 2.339 0 40 FEAB CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)nn1 585101437 OMEXTRXCPUHLND-HOTGVXAUSA-N 356.426 2.958 0 40 FEAB Cn1ncc2c(N3CCN(c4ccc(-c5ccccc5)nn4)CC3)ncnc21 1775973893 JMFMLWCGUQOBEB-UHFFFAOYSA-N 372.436 2.147 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CC1 5059344 REAKZSVYEJASIL-UHFFFAOYSA-N 372.446 2.095 0 40 FEAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16638479 XXZKNXAFFDBNFY-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17073915 CONNZTFETWOUAQ-MYZSUADSSA-N 358.373 2.151 0 40 FEAB CCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cc4c(cc3OC)OCO4)C2)n1 19522496 LAUMQAVWFKYUDC-CYBMUJFWSA-N 371.437 2.449 0 40 FEAB Cc1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)nc(N2CCCCC2)n1 19718856 BTCBCWVCCBDEOM-ZDUSSCGKSA-N 370.501 2.487 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233545 WUXYIRNGRZYWIF-ZFWWWQNUSA-N 353.426 2.099 0 40 FEAB CC(=O)N[C@H](CC(=O)O[C@@H](C(N)=O)c1ccccc1)c1ccc(C)cc1 10375044 KIMHROCFIVMRQM-IEBWSBKVSA-N 354.406 2.332 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1cccs1 3600998 LOODTHZZZIHGFA-LJQANCHMSA-N 369.446 2.148 0 40 FEAB Cc1cc(C)nc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888875612 RWMIFVBXXIGOMG-QGZVFWFLSA-N 360.483 2.134 0 40 FEAB Cc1cn2nc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ccc2n1 1888885389 BYZDAJQZERPINU-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB Cc1nc(C)c(-c2ccc(N3CCN(c4ncccn4)CC3)nn2)s1 1888888471 QWDFYNFLNVEQPT-UHFFFAOYSA-N 353.455 2.334 0 40 FEAB Cn1cncc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888897346 HQHUZGFJKSEPIV-IRXDYDNUSA-N 374.448 2.086 0 40 FEAB CCn1nnc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)ccc21 23718346 NOJOLFMXIFKZOH-UHFFFAOYSA-N 371.485 2.216 0 40 FEAB Cc1nc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)co1 2037839675 AHBPUQNDQKQIGU-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C1COC1)CCO3 2037976887 CEGJMTBGFLMGNR-XAUMDUMWSA-N 361.438 2.111 0 40 FEAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@@H]1CCCO1 4341435 IOMHPQPJPZJZHI-AWEZNQCLSA-N 369.450 2.203 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 5153426 PKTVFCZZUINUNU-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cccc(F)c1 11744365 IDOYBGQQEWSYIT-UHFFFAOYSA-N 353.357 2.266 0 40 FEAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cccnc1 206679594 HDLARANHPDGIOH-UHFFFAOYSA-N 355.375 2.222 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 21334731 FEXDBSHXMAORFN-UHFFFAOYSA-N 363.364 2.276 0 40 FEAB CCc1noc(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 21512440 OBAAQYYMWYTXHK-NSHDSACASA-N 371.393 2.466 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102435893 FYZWAGMEDSCFNS-KBPBESRZSA-N 370.405 2.143 0 40 FEAB CC(=O)c1cccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)O)cc3)C2=O)c1 2662433 PJSMLTJDHWZCPL-KRWDZBQOSA-N 366.373 2.260 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 3411569 FBYORUCSLULKNO-NRFANRHFSA-N 369.465 2.188 0 40 FEAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 3476452 FVAMUZJLUZNPRQ-UHFFFAOYSA-N 355.394 2.233 0 40 FEAB CNC(=O)NC(=O)[C@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 3558196 ONVNEBDRRJCTOX-MRXNPFEDSA-N 371.393 2.188 0 40 FEAB CC(=O)OC[C@H](OC(C)=O)c1cccc([C@H](COC(C)=O)OC(C)=O)c1 3845180 KITPMZGMNVDEMM-ROUUACIJSA-N 366.366 2.021 0 40 FEAB biogenic O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 4291895 BKWGAKRCFXFKDM-OWLDWWDNSA-N 364.323 2.451 0 40 FEAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1nnc(-c2ccccc2)o1 5360530 ZWNDDDWDBMCCBV-UHFFFAOYSA-N 363.333 2.408 0 40 FEAB CCCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)OC(C)C 5552715 NYKAPLDVKNVSIS-ZDUSSCGKSA-N 364.391 2.450 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 5797628 QXPJCWFUWFVAIS-FQEVSTJZSA-N 373.453 2.255 0 40 FEAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)ccc21 5805098 SGWHOFUJDVHKEJ-CYBMUJFWSA-N 352.394 2.313 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 6169463 KRYVGKNFOVKCHX-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB COCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 6260404 WYAQRFPTOXCANY-GOEBONIOSA-N 366.458 2.248 0 40 FEAB NC(=O)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6322699 HWKTXCZWNISCGH-UHFFFAOYSA-N 352.799 2.323 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc2c(c1)OCCCO2 6508588 CFAXUCCQUIYKJZ-UHFFFAOYSA-N 359.334 2.055 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859699 HTKOGWDIQQGNJL-UHFFFAOYSA-N 365.436 2.264 0 40 FEAB CN(C)c1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1Br 6949314 XEDHXBBMDSUCCS-UHFFFAOYSA-N 370.316 2.388 0 40 FEAB O=c1c2c3c(sc2nc(SCCO)n1C[C@@H]1CCCO1)CCC3 7038147 SIWRTLVANWPFRX-JTQLQIEISA-N 352.481 2.210 0 40 FEAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 7250515 FEKWFTGZPZEPJW-CQSZACIVSA-N 365.393 2.261 0 40 FEAB CCCn1c(O)nnc1SCC(=O)Nc1ccnn1C1CCCC1 7513334 SMQDJTNEWDWAEN-UHFFFAOYSA-N 350.448 2.436 0 40 FEAB Cc1cccc(OCCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 8524535 JOTKJERDYNVWTJ-UHFFFAOYSA-N 356.209 2.054 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCC(C)C)c1ccccc12 8843722 NPJPRMULNKFJSJ-SFHVURJKSA-N 374.466 2.235 0 40 FEAB COCCNC(=O)Cn1c(CO)cnc1SCc1cccc(Cl)c1 9827568 VHGCXQJMWQTQCT-UHFFFAOYSA-N 369.874 2.084 0 40 FEAB Cc1cc(C)n2nc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)nc2n1 10032461 COIJBLHKHVSWGU-UHFFFAOYSA-N 364.409 2.020 0 40 FEAB NC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 10044272 MZUFXZIPKRENJG-ZDUSSCGKSA-N 359.234 2.498 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cc1 10146550 DIHQHNLEKPYUAK-GOSISDBHSA-N 358.463 2.163 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCc2sccc2C1 10341549 OKNPFZASTOTSFH-UHFFFAOYSA-N 357.479 2.478 0 40 FEAB CCOC(=O)c1sc(NC(=O)CSc2cc(C)ncn2)nc1C 12017026 XSYFXLWVMPMFGZ-UHFFFAOYSA-N 352.441 2.457 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1N1CCCC1 12521948 CSEARLFKFCODBJ-GJZGRUSLSA-N 353.422 2.177 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(F)c1)OCCO2 12541614 YJGBYRNSEZHKOM-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12549712 HWBIUOJYKFMSRM-CZUORRHYSA-N 372.490 2.384 0 40 FEAB Cc1cccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1C 12554807 RWFWGLKFJBNCHL-ZHALLVOQSA-N 359.514 2.450 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2NC1=O 12921732 BHRAMUAMMAYYGK-RYUDHWBXSA-N 357.410 2.136 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)on1 14153528 BFAQOPULGGQZMZ-JOYOIKCWSA-N 361.329 2.118 0 40 FEAB Cc1ccccc1OCCOC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 14230818 YZCBKVBSTYCNQT-UHFFFAOYSA-N 363.435 2.495 0 40 FEAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccn(C)n1 19017738 CYYFXBMSZPSIIP-BHIYHBOVSA-N 370.428 2.178 0 40 FEAB CN1CCN([C@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 19589916 RNOQCEXAALXXRZ-HXUWFJFHSA-N 362.481 2.253 0 40 FEAB COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)c1 19658868 HIGMRHBTXGRHTB-OAHLLOKOSA-N 358.442 2.158 0 40 FEAB CCOC(=O)c1n[nH]cc1-c1cncn1CCc1ccc2c(c1)OCCO2 19719721 ZWDGCZSHIWISLH-UHFFFAOYSA-N 368.393 2.464 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(F)cc1 20245218 ZBZSQMKAIWGEEV-UHFFFAOYSA-N 371.478 2.278 0 40 FEAB CN1CCc2c(sc3nc(NN)n(-c4ccc(Cl)cc4)c(=O)c23)C1 20265974 KKXMKHPAQSCBCB-UHFFFAOYSA-N 361.858 2.374 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22271912 NPFXSSZMEXEROP-CYBMUJFWSA-N 350.415 2.324 0 40 FEAB CCN(CC)CCn1c(NC(=O)c2ccc(O)nn2)nc2ccccc21 22701264 WKKMBWXAYPGAAA-UHFFFAOYSA-N 354.414 2.126 0 40 FEAB Cc1cccc2nc(C(=O)NCCN3CCN(c4ccccc4)CC3)cn12 23194072 BZWOTLBSJISDMS-UHFFFAOYSA-N 363.465 2.195 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCCCO2 24859067 BCHUDICTCBAZFT-UHFFFAOYSA-N 373.409 2.041 0 40 FEAB CS(=O)(=O)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 25054640 MAZQOPXJLWAKAX-UHFFFAOYSA-N 374.388 2.120 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)C1 25380825 MPWRPZGQOWMCBU-ZFWWWQNUSA-N 366.483 2.304 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)C[C@@H](C)O1 32895732 AILWFZLNPTXSJB-HZPDHXFCSA-N 367.515 2.073 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 35325517 PGHMHMROKMZTBL-QGZVFWFLSA-N 357.841 2.499 0 40 FEAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1C 36615015 LZRAFZARSLIILQ-UHFFFAOYSA-N 362.499 2.026 0 40 FEAB CC(C)N(CCCNC(=O)c1ccccc1C(F)(F)F)S(C)(=O)=O 40108577 LYHKRFMULJLMJK-UHFFFAOYSA-N 366.405 2.495 0 40 FEAB Cc1nn(C)c2sc(C(=O)NCc3cccnc3-n3ccnc3)cc12 42497849 HERYCOFIXJNZJE-UHFFFAOYSA-N 352.423 2.454 0 40 FEAB CCn1c(=O)n(C[C@H](O)COCc2ccccc2OC)c2ccccc21 44348780 ZKXZJZWVKTWAPP-INIZCTEOSA-N 356.422 2.409 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccn1 47013700 XTSXLAMPLBGVAS-UHFFFAOYSA-N 359.430 2.107 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)c1 51356976 CNUSUWPUAXMPRN-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)n1 53115262 XNRPWOZERRMSPU-NVXWUHKLSA-N 357.458 2.360 0 40 FEAB Cc1noc(C2CCN(CC(=O)Nc3cccc4nsnc34)CC2)n1 54678648 XDHINOXCLHFLJI-UHFFFAOYSA-N 358.427 2.201 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1 57521048 WMLBHWYFDFVFOY-UHFFFAOYSA-N 356.407 2.493 0 40 FEAB NC(=O)Cn1c(SCc2ccn(-c3ccccc3)n2)nnc1C1CC1 58210130 YVXUTZJBXKLBDN-UHFFFAOYSA-N 354.439 2.119 0 40 FEAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F)N1CCCC1 58213455 DNBRWZGLTKTGFT-CQSZACIVSA-N 358.410 2.130 0 40 FEAB COc1ccccc1CNCC(=O)Nc1ccc(N2CCOCC2)cc1 58445850 MUSZVBKSZLZFMG-UHFFFAOYSA-N 355.438 2.260 0 40 FEAB COc1ccccc1CCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 60388538 IOTLTQGDSZZSEX-UHFFFAOYSA-N 359.426 2.160 0 40 FEAB Cc1ccccc1-n1ccn(CC(=O)NCCC2=CCCCC2)c(=O)c1=O 67320577 ITPDHOBHYYAISG-UHFFFAOYSA-N 367.449 2.314 0 40 FEAB Cc1ccccc1C(=O)N1CCN(c2ccc(-n3cnnc3)cc2N)CC1 70461875 QYYBAMXSAVNWMW-UHFFFAOYSA-N 362.437 2.120 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 71279958 ZUGCBUNFBHHASF-UHFFFAOYSA-N 357.757 2.325 0 40 FEAB CCN(CC)c1ncc(S(=O)(=O)c2cc(Cl)ccc2OC)c(N)n1 71771929 FBZHSDWZNRXVTL-UHFFFAOYSA-N 370.862 2.400 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCC[C@H](CO)C2)C1 72395272 YMXXAECNNWJCNA-IRXDYDNUSA-N 370.497 2.493 0 40 FEAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CCCn1cncn1 76041750 DUHJWSFYPOCSQL-CABCVRRESA-N 365.478 2.258 0 40 FEAB CCOc1ccc(-c2nc(CC(=O)N3CCNC(=O)[C@H]3CC)cs2)cc1 78608048 HLXNEXQUTYNROJ-MRXNPFEDSA-N 373.478 2.488 0 40 FEAB Cc1cc(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)ccc1F 96001780 IJYLHYLWKFAFJJ-HNNXBMFYSA-N 371.372 2.131 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)n1 96058137 ZLKDZGXVQSRNLE-IPMKNSEASA-N 353.422 2.374 0 40 FEAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccc(F)cc1 96062016 CDBYAIHUTRKULS-MRXNPFEDSA-N 357.477 2.346 0 40 FEAB O=C(Cc1cccs1)NC[C@@H]1COCc2c(-c3ccoc3)nnn2C1 96199390 VSZJZEHGAKTPDW-LBPRGKRZSA-N 358.423 2.105 0 40 FEAB CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(F)c1 96388585 JMAFONZOMFXOGC-KRWDZBQOSA-N 351.399 2.427 0 40 FEAB CC(C)CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 96438007 NQUHVVKJYBTALB-UHFFFAOYSA-N 374.348 2.400 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100487004 FRVHIMILJVKLLT-HOTGVXAUSA-N 359.422 2.009 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102574994 NJQGBENKAPWPLQ-HOTGVXAUSA-N 370.405 2.143 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)c(OC)c1 106121554 BTEBUOVRULFBEL-MPGHIAIKSA-N 372.465 2.424 0 40 FEAB C[C@@H](C(=O)Nc1ccnc2ccnn12)N1CCN(c2ccc(F)cc2)CC1 118677170 AHUDHJDYKDDQRZ-AWEZNQCLSA-N 368.416 2.018 0 40 FEAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218399438 QBSMVEUEHCUFIK-LNLFQRSKSA-N 359.447 2.195 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1 224589550 MASSDTIQDQEHJI-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225808823 HQFNHBANWJDYHZ-LLVKDONJSA-N 368.315 2.193 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 225822553 PWBLDPDCTQXSNB-UHFFFAOYSA-N 363.357 2.465 0 40 FEAB O=C1NC(=O)c2cc(S(=O)(=O)Oc3cccc4ccccc34)ccc21 226860111 LTVSETRZUCXXMZ-UHFFFAOYSA-N 353.355 2.491 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1 248164448 YZLXLHRDYLGRPY-ZDUSSCGKSA-N 364.496 2.102 0 40 FEAB O=C(CCc1cccc(F)c1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257229195 FXBXDYLGUJYMLF-QGZVFWFLSA-N 359.401 2.114 0 40 FEAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(COc3ccccc3F)on2)[C@H]1O 257334353 YFNPQRLGLBCSRY-KBRIMQKVSA-N 364.373 2.051 0 40 FEAB Cc1cc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n2ncnc2n1 301147033 KICLXOIBWOJVSH-UHFFFAOYSA-N 354.414 2.041 0 40 FEAB COC1([C@H](C)NC(=O)c2cncc(I)c2)CCC1 332490102 SMVYSYGNGWMINT-VIFPVBQESA-N 360.195 2.374 0 40 FEAB CCN1C(=O)/C(=C/c2cc(OC)c(O)cc2Br)NC1=S 409008010 UNLMKHNNRWFQMM-WTKPLQERSA-N 357.229 2.241 0 40 FEAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1Br 575614994 BCAACFPVVKTVIZ-GFCCVEGCSA-N 373.276 2.044 0 40 FEAB O=S(=O)(NC[C@H](OCCO)c1cccs1)c1ccccc1Cl 575621572 POYJJVKECUADAU-LBPRGKRZSA-N 361.872 2.430 0 40 FEAB COCc1cn([C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C2)nn1 585149580 AKAMVDDMHYLGJT-OAHLLOKOSA-N 370.388 2.041 0 40 FEAB CCN1CCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 585152341 QYVUXFOAPFJPBA-UHFFFAOYSA-N 351.497 2.445 0 40 FEAB Cc1nc(/C=C/C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cs1 585289885 MIPVHSRRKLRHGA-IHHMQQGQSA-N 358.463 2.297 0 40 FEAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@](C)(CC(=O)O)c2ccc(F)cc2)C1 634829152 OTBZZARXBYWUIY-DJJJIMSYSA-N 374.416 2.093 0 40 FEAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CC(=O)N(C2CC2)C1 684120388 XZPOYIXLIGHQQN-UHFFFAOYSA-N 351.809 2.484 0 40 FEAB O=C(Nc1ccc(-c2ccon2)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 1120931933 LXQFSSRZAXQRKC-DJIMGWMZSA-N 367.405 2.354 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553176 MVOKELKFMPDWOQ-UHFFFAOYSA-N 368.828 2.016 0 40 FEAB Cc1csc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)c1 1614935079 UJIAOVRAXXLBJK-LJQANCHMSA-N 370.478 2.015 0 40 FEAB Clc1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1889119542 UUTXOLQILUCXSA-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB COc1cc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)cc(OC)c1 1889138960 REROVKSXIFMLAR-MRXNPFEDSA-N 364.511 2.491 0 40 FEAB Cc1nccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037988925 NOWJVUHPWUEFHC-FQEVSTJZSA-N 370.428 2.322 0 40 FEAB O=C(NCc1ccco1)c1noc2c1C[C@H](Nc1ncc(F)cn1)CC2 2055745714 WMAHCNJFYBSUDV-LLVKDONJSA-N 357.345 2.096 0 40 FEAB Cc1cc2ncnc(N3CCN(c4ccc5nc(C)c(C)n5n4)CC3)c2[nH]1 2087048824 HBHWMYSMTGQNBP-UHFFFAOYSA-N 362.441 2.252 0 40 FEAB CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1O 12411473 QNTFNQZGQHHYPX-OAHLLOKOSA-N 359.386 2.018 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(F)c2)c2ccccc12 12416940 ZYWNXZKEEMTJGW-UHFFFAOYSA-N 353.353 2.139 0 40 FEAB biogenic,in-vitro O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1n[nH]c2ccccc12 54229721 RSVUWRRYIQGVIR-UHFFFAOYSA-N 363.826 2.420 0 40 FEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)c1cccc(Br)c1 4299278 JXUDCGNYTGZGJA-QWRGUYRKSA-N 360.204 2.460 0 40 FEAB COc1ccc([C@]2(C(OC)OC)NC(=O)N(Cc3ccccc3)C2=O)cc1 4897456 LICIEOLEURPOHN-FQEVSTJZSA-N 370.405 2.261 0 40 FEAB COc1ccc([C@H](CNC(=O)Cc2c(C)noc2C)N2CCOCC2)cc1 23718533 GXQNPSBQGRBPLA-IBGZPJMESA-N 373.453 2.032 0 40 FEAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379677 MGTKHQAUNWVZTJ-GVDBMIGSSA-N 362.495 2.346 0 40 FEAB Cc1noc(C)c1CC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 24582567 YVSKHKGQUKRXGD-UHFFFAOYSA-N 355.316 2.348 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCn1ncc(Cl)c(Cl)c1=O 24699251 REXNHEIWWPSRSL-UHFFFAOYSA-N 352.177 2.236 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 56334122 RAEWVYRYZXCUHV-AWEZNQCLSA-N 354.410 2.412 0 40 FEAB O=C(CNc1ccc(C(=O)NC2CC2)cc1)NCc1ccc2c(c1)OCO2 25703669 QUGOIQXSRUUEQF-UHFFFAOYSA-N 367.405 2.036 0 40 FEAB CC1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 57315246 YRMJXOGUVMWNNF-UTKRZORCSA-N 369.465 2.465 0 40 FEAB O=Cc1ccccc1OCC(=O)OCC(=O)NCc1ccc(Cl)cc1 3280478 ZBGCEUUGPADEBE-UHFFFAOYSA-N 361.781 2.391 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(N)s2)nc1C 10059423 CNRUAEGURARVSI-ZCFIWIBFSA-N 373.485 2.181 0 40 FEAB Cc1oncc1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108536319 VRBIHMFKEBDXGP-CQSZACIVSA-N 357.414 2.039 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccccc3)C2=O)o1 58197381 LQBJLAOZONIEED-IBGZPJMESA-N 355.394 2.014 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cccc(N(C)C)c3)cc21 58264357 PWICZQGPSLBIRQ-UHFFFAOYSA-N 368.437 2.474 0 40 FEAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)cnc21 12789698 PHEBIEJUCUVZJW-UHFFFAOYSA-N 358.785 2.319 0 40 FEAB C[C@@H](OC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)NC1CCCC1 12774859 WZKYKBPLVBFGCW-WBVHZDCISA-N 372.465 2.068 0 40 FEAB CC(C)(C)n1ncc2c(=O)[nH]c(NCc3ccc(-n4cccn4)nc3)nc21 58312518 WNEBXEUFQGLIAV-UHFFFAOYSA-N 364.413 2.067 0 40 FEAB CN(CC(=O)NCC1(c2ccccc2)CCC1)c1ncnc2nc[nH]c12 36394466 UEWCGQKNZXJVHT-UHFFFAOYSA-N 350.426 2.027 0 40 FEAB CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 28421744 QOXHZFXFOBKAPQ-UHFFFAOYSA-N 369.373 2.134 0 40 FEAB O=C(C1CC1)N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 48314434 FTEZQRLMHUJSBP-SFHVURJKSA-N 354.450 2.134 0 40 FEAB COc1ccccc1CN(CN1C(=O)N[C@]2(CCSC2)C1=O)C1CC1 48365740 BKQAYYCAKJKCDX-SFHVURJKSA-N 361.467 2.045 0 40 FEAB Cc1csc2nc(COC(=O)Cn3ccc(C(F)(F)F)n3)cc(=O)n12 11433741 INOQSMMJXCRKBT-UHFFFAOYSA-N 372.328 2.023 0 40 FEAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)s1 306123943 BBBJPEKLBZDCOR-ZIAGYGMSSA-N 359.499 2.091 0 40 FEAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 12910351 QXPYZZVXYJCHBH-RYUDHWBXSA-N 368.480 2.344 0 40 FEAB COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13068627 MXWCGLKZVVGRKK-UHFFFAOYSA-N 353.371 2.353 0 40 FEAB COc1ccc2c(ccn2CCNC(=O)c2ccccc2-n2cnnn2)c1 72403886 WSUSEXBUOQJQEL-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 9134658 VBSNBXDCWDSMGW-KRWDZBQOSA-N 369.396 2.054 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cn1 63877058 XMDYFUAKWQZWBS-UHFFFAOYSA-N 360.750 2.382 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(Cn2cnc3ccccc3c2=O)n1 5228956 MFAXQBBMUFGVCP-UHFFFAOYSA-N 359.393 2.264 0 40 FEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 113957069 SROKPBZVPFNRSR-LBPRGKRZSA-N 368.405 2.436 0 40 FEAB CCOc1ccc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 6544339 TXYKIWVBJPXUCJ-UHFFFAOYSA-N 366.373 2.221 0 40 FEAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 4815905 LLNHVMMYZSIBNN-SNVBAGLBSA-N 364.402 2.205 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1c2ccccc2C[C@H]1O 67645861 CMJZPAANCJHAQJ-MOPGFXCFSA-N 366.396 2.469 0 40 FEAB COCCOC1CN(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)C1 95460890 MDFIVRKHUPAOTQ-HUUCEWRRSA-N 363.458 2.179 0 40 FEAB NC(=O)c1cccnc1N1CCN(CCOc2ccccc2Cl)CC1 96444311 MQJMNGJRSDLVOF-UHFFFAOYSA-N 360.845 2.035 0 40 FEAB Cc1c(F)cccc1NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 409000718 FOBUGDHBBOKGQZ-INIZCTEOSA-N 373.384 2.243 0 40 FEAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 75613197 YKISHOTWDGEQDB-ZIAGYGMSSA-N 373.494 2.423 0 40 FEAB CCn1ccnc1CN1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@H]1C 75610956 JJPHDDUBJWJWON-CYBMUJFWSA-N 371.485 2.397 0 40 FEAB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC[C@@H]1CCCO1)CC2 548021728 SUJMOGYQYBAQOE-GJZGRUSLSA-N 364.515 2.318 0 40 FEAB Cn1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306136017 PGTAOGKHBYFQAV-FXAWDEMLSA-N 354.454 2.241 0 40 FEAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC(C)C 408710050 MZMKRXIHMMAMMW-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB CCn1c(SCC(=O)Nc2ncccn2)nnc1-c1ccc(OC)cc1 409176266 ZNLYQQLVOKYJHR-UHFFFAOYSA-N 370.438 2.494 0 40 FEAB COc1ccc(Br)c(C(=O)NCc2ccc(C(N)=O)cc2)c1 36727753 NCGWYPVBSQTKJV-UHFFFAOYSA-N 363.211 2.487 0 40 FEAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cc(C)n(C)n3)c12 36619237 BINDJKJTJDGHCD-UHFFFAOYSA-N 351.370 2.226 0 40 FEAB C[C@@H]1CCn2ncc(C(=O)N[C@H](C)c3ccc(OCC(=O)O)cc3)c2C1 563889376 SHVHCJCXVCAHJG-CHWSQXEVSA-N 357.410 2.420 0 40 FEAB CSc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223299031 SBDKZUIBQYKTSK-UHFFFAOYSA-N 352.437 2.073 0 40 FEAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 41058339 UUBIERXLNZSFAJ-INIZCTEOSA-N 354.447 2.381 0 40 FEAB Cc1cc(C)nc(NC(=O)CCc2nnc(-c3cc(C4CC4)n(C)n3)o2)n1 41070298 IZLCBARWIQSRHV-UHFFFAOYSA-N 367.413 2.326 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)c(Cl)cc21 223341620 YJSSKKPQUZOSNJ-UHFFFAOYSA-N 366.826 2.306 0 40 FEAB Cc1nocc1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@@H]1c1cnco1 96087091 MDWLFWNUXXKNNI-QGZVFWFLSA-N 366.377 2.418 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 95079647 DUJLPPDBMUTUFB-UHFFFAOYSA-N 365.455 2.125 0 40 FEAB COC[C@@H]1CN(C(=O)c2ccoc2)Cc2cnn(CC3CCOCC3)c21 96198451 NWDDVMPPKJBXCM-KRWDZBQOSA-N 359.426 2.289 0 40 FEAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257289976 QAZHTHBDDSQZEF-HNNXBMFYSA-N 359.430 2.011 0 40 FEAB OCCOc1cccc(CN2CCC(c3ccnc4ccnn34)CC2)c1 257249322 JHRLWUJIOIEECY-UHFFFAOYSA-N 352.438 2.480 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)cn1 257324530 WPDJNNWNAUZMMP-CQSZACIVSA-N 366.425 2.187 0 40 FEAB Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 100354933 XKUKRFJMBGKQEU-YOEHRIQHSA-N 352.321 2.261 0 40 FEAB biogenic CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)CCc1c(F)cccc1F 625142206 YYUVCMLUDQIFJS-CYBMUJFWSA-N 369.437 2.228 0 40 FEAB C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096628 WKUQWAXBTNMTNS-GFCCVEGCSA-N 351.410 2.283 0 40 FEAB Cc1ccccc1N1CCC(O)(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)CC1 585282962 KNZDVFWEUKSVPV-AZUAARDMSA-N 371.525 2.459 0 40 FEAB COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c(OC)c1 36635593 BEOJILACGFZFGI-CQSZACIVSA-N 356.378 2.456 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC(=O)Nc1ccccc1 48364962 FBSINHKZFKBDAS-KBMXLJTQSA-N 359.426 2.141 0 40 FEAB Cn1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc2ccccc21 55392233 PAZCPMMYJBGMEA-UHFFFAOYSA-N 357.435 2.480 0 40 FEAB COc1ccc(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1OC 96374359 CHYDRYKKKISMJL-UHFFFAOYSA-N 369.483 2.379 0 40 FEAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 83864152 LVDCLADNICIXMZ-KRWDZBQOSA-N 354.406 2.361 0 40 FEAB CCCCN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11025934 WZIDKBOMCKJBMR-JTQLQIEISA-N 364.261 2.472 0 40 FEAB Cc1ccccc1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000188 OHHPSTXNAUDYCV-MOPGFXCFSA-N 367.449 2.321 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccccc1C(F)(F)F 17073559 AYLPBBDZPMOJQB-SECBINFHSA-N 356.300 2.227 0 40 FEAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCCOc1ccccc1F 17831945 BODVIUTZQBDMNJ-UHFFFAOYSA-N 358.325 2.265 0 40 FEAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccn(C)n1)C2 19290983 DEKZTAURFSYGMP-IBGZPJMESA-N 355.438 2.422 0 40 FEAB CCn1ncc(C(=O)N2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1C 19523878 AIJRQWXUWFNVJR-XJKSGUPXSA-N 350.426 2.465 0 40 FEAB CC(=O)N[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C2(CCNCC2)C1 19703780 SZGXETBGXBNWOF-SFHVURJKSA-N 361.461 2.008 0 40 FEAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 162351204 AVJCCYHTXBEUCD-SJKOYZFVSA-N 356.426 2.105 0 40 FEAB CO[C@@H]1CN(Cc2ccc(-n3nc(C)cc3C)cc2)C[C@H]1c1cnn[nH]1 621319029 NDDAQJIAQFGKHT-PKOBYXMFSA-N 352.442 2.222 0 40 FEAB C[C@@](O)(C1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1)C(F)(F)F 546663663 HQTLWPINFSQMAY-MRXNPFEDSA-N 372.391 2.242 0 40 FEAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCN(C2CCC2)CC1 828390841 JZKHGDQRKRRJRQ-UHFFFAOYSA-N 360.483 2.121 0 40 FEAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(Cc4cccnc4)C3)C2)c1 2056223395 JIQJNCGZAMGOSS-FQEVSTJZSA-N 353.470 2.334 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1565555449 IBDSLYBCNOOILJ-LEWJYISDSA-N 368.481 2.078 0 40 FEAB CN1CCc2c(OCC(=O)Nc3ccc4c(c3)OCCO4)cccc2C1=O 4089085 OAGSSINKRFHMJR-UHFFFAOYSA-N 368.389 2.103 0 40 FEAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)no1 4376955 BSKADNVQPCUHQC-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB FC(F)(F)c1[nH]c2ncccc2c1CN1CCC(N2CCNCC2)CC1 19345109 JDJQBTNMGDMMKA-UHFFFAOYSA-N 367.419 2.451 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cn1 825658337 HQRPXWRXTWQUPL-LBPRGKRZSA-N 369.493 2.222 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccccc2OC)CC1 40090464 OQHBNNCOOSUGPR-CMDGGOBGSA-N 366.483 2.029 0 40 FEAB COc1cccc(NC(=O)CN2CCN(Cc3csc(C)n3)CC2)c1 40059777 VIXSMTKDDRNLFW-UHFFFAOYSA-N 360.483 2.216 0 40 FEAB CN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 50079483 YHIWKOSOXDHWMR-IBGZPJMESA-N 351.450 2.322 0 40 FEAB C[C@H](CO)NC(=O)Nc1ccc(I)cc1Cl 40104731 LDVPDVGBQHAMHK-ZCFIWIBFSA-N 354.575 2.447 0 40 FEAB COc1cc(CNC(=O)[C@H](C)Sc2ncccn2)cc(OC)c1OC 40157350 KLKDYLATQAPUAB-NSHDSACASA-N 363.439 2.299 0 40 FEAB CC(C)n1ncc2cc(NC(=O)NCc3nnc4ccccn34)cnc21 40120835 UTOAQUKZBVZAEB-UHFFFAOYSA-N 350.386 2.377 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1OC 51316335 IBJOTBFWIMBDHB-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB O=C(NCC(F)(F)F)[C@H]1CCN(c2ccccc2Br)C1=O 51422862 PTTTWNLQABQMIT-MRVPVSSYSA-N 365.149 2.481 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 20851443 VJCWJHJJTALMAC-INIZCTEOSA-N 361.401 2.225 0 40 FEAB CCn1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c(C(N)=O)n1 2803031 SDYGCAPXRKSSKG-SNVBAGLBSA-N 359.430 2.393 0 40 FEAB CC(C)NC(=O)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 77546114 YCUUZCJCXVMBSX-QGZVFWFLSA-N 360.502 2.207 0 40 FEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCO[C@H](c2ccccc2)C1 79492508 ROHIEGTYGUXPRU-ROUUACIJSA-N 352.438 2.293 0 40 FEAB COc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1Cn1cccn1 104319740 LTHSJAIIRNIRGN-HXUWFJFHSA-N 372.513 2.217 0 40 FEAB O=C1N[C@@H](c2cccs2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269924 DHXMJAXEVDILKL-COPLHBTASA-N 371.340 2.247 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6946731 PUYGQSBDIJBHHN-ZDUSSCGKSA-N 356.488 2.447 0 40 FEAB O=C(COc1ccccc1F)OCC(=O)N1CCN(c2ccccc2)CC1 8009169 VPVUDVLBLLWXRE-UHFFFAOYSA-N 372.396 2.097 0 40 FEAB Cn1ccnc1SCCNS(=O)(=O)c1ccc2c(c1)CCCC2 12541239 OEBPXYBPJRYKKR-UHFFFAOYSA-N 351.497 2.370 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2Cl)c1 2663974 KYXFPKJOOCRUIT-UHFFFAOYSA-N 354.815 2.342 0 40 FEAB O=C(c1n[nH]cc1Br)N1CCN(Cc2ccccc2F)CC1 28229836 GLVUQXRKUARTEO-UHFFFAOYSA-N 367.222 2.269 0 40 FEAB O=C(NC1CCN(C[C@@H](O)COc2ccccc2)CC1)c1ccccc1 25304917 XQWKSROUERATQO-LJQANCHMSA-N 354.450 2.321 0 40 FEAB O=C(NCC(=O)N1CCCc2ccccc21)c1cc(=O)[nH]c2ccccc12 57268515 PASOPVVCRGAPKD-UHFFFAOYSA-N 361.401 2.237 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3OCCN2CCCC2)cc1 107265710 LSFFFFKKDSSYTP-NEWSRXKRSA-N 364.511 2.259 0 40 FEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23316087 ADWCHJORTKKHIX-GOSISDBHSA-N 367.449 2.188 0 40 FEAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 58163418 HYFRCNKEYDNQFS-NSHDSACASA-N 362.817 2.221 0 40 FEAB COc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(OC)c1 58123837 WOFATIMAPSEBJT-UHFFFAOYSA-N 371.437 2.170 0 40 FEAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C)CCC(C)C)c1 23993856 HDJZYHSMFVKHBU-GFCCVEGCSA-N 371.455 2.363 0 40 FEAB COc1cccc(CC(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 58201031 RJDDQTPQUKPSPD-UHFFFAOYSA-N 372.469 2.263 0 40 FEAB Cc1cc(NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccncc2)n1 58223834 UOZZZXXBKWANMX-GJZGRUSLSA-N 355.442 2.285 0 40 FEAB C[C@H]1CN(CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 58210699 QXBJAKQAYXHJHU-CALCHBBNSA-N 371.485 2.171 0 40 FEAB O=C(CCN1CCC[C@@H]1C(=O)NCC(F)(F)F)Nc1ccc(F)cc1 54992047 GLYXLDWPXPBRIX-CYBMUJFWSA-N 361.339 2.297 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1OC 28037712 YWEQOGYAKGMTRF-UHFFFAOYSA-N 361.423 2.401 0 40 FEAB C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCCN(C)C)nc4c3c21 2239849 NLKAPLMAMMWZMX-NSHDSACASA-N 372.498 2.460 0 40 FEAB O=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 28253843 LINSVVOMANWGEV-ZHACJKMWSA-N 371.418 2.151 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)c2)n1 102016334 VMLRCFXKDZKCPG-XLAORIBOSA-N 351.406 2.215 0 40 FEAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(-n2cnnn2)c1 12892781 YHDKZXQJYBHDRU-UHFFFAOYSA-N 367.394 2.345 0 40 FEAB COc1cc(-n2c(=O)c3ccccc3n3c(C)nnc23)cc(OC)c1OC 13608761 FJOOBEVCQMLNEU-UHFFFAOYSA-N 366.377 2.368 0 40 FEAB O=C(COc1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 5070146 ILLSBTKKJARUEM-CQSZACIVSA-N 365.476 2.343 0 40 FEAB C[C@H](O)c1ccc(CNC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)cc1 65592734 JGMZEGJUEAOEKP-JTQLQIEISA-N 355.419 2.195 0 40 FEAB Cn1c(SCCOc2ccc(F)cc2)nnc1[C@H]1CCS(=O)(=O)C1 14228206 BWIHMFHCBVDZLL-NSHDSACASA-N 371.459 2.027 0 40 FEAB CCOC(=O)c1c(C)c(C(=O)N2CCN(c3ccccn3)CC2)c(C)n1C 96118434 AYQYUHGWTFNIGI-UHFFFAOYSA-N 370.453 2.176 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2ccccc2Cl)CC1 9363884 KBGWGNZOJVGXFU-UHFFFAOYSA-N 360.845 2.222 0 40 FEAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 15359014 PRNAZJOLVJYBFD-CYBMUJFWSA-N 353.465 2.271 0 40 FEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCCCC1 7378311 IAHHFZYJUMAXRK-AWEZNQCLSA-N 353.488 2.140 0 40 FEAB CCc1ccc(-c2nc(C(=O)OCC(=O)N3CCNC3=O)cs2)cc1 7722741 PAXWZDKDTDCSBN-UHFFFAOYSA-N 359.407 2.081 0 40 FEAB COC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2 7780239 SWOFTLFRXDRUTK-UHFFFAOYSA-N 370.481 2.188 0 40 FEAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)cc1 7921495 BSFZPHZRTJGKHA-NSHDSACASA-N 351.396 2.147 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1C 69343175 PWDUAUVWWGAAGG-GJZGRUSLSA-N 355.456 2.083 0 40 FEAB O=C(CSCc1ccc(Br)cc1)NCCN1CCOCC1 408573977 GPGNDUKHNHZQNZ-UHFFFAOYSA-N 373.316 2.131 0 40 FEAB COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 95443833 DOHLSMXZNWYLIW-INIZCTEOSA-N 371.499 2.274 0 40 FEAB O=C1OCC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@@H]12 95443885 CDTBRXKVWYUOED-QPUJVOFHSA-N 350.223 2.320 0 40 FEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113966897 YODUYDBVSPSCAQ-GFCCVEGCSA-N 368.405 2.436 0 40 FEAB OCCc1cc(CC2(N(Cc3ccco3)Cc3ccco3)COC2)no1 67897722 XPFGXIZNDVZIOU-UHFFFAOYSA-N 358.394 2.409 0 40 FEAB biogenic,in-vitro COC(=O)c1sccc1NC(=O)N1CCN(Cc2cc(C)no2)CC1 25089398 YYIATIWARMRGRI-UHFFFAOYSA-N 364.427 2.181 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408564632 ZZSLQXXQTWYSGH-UHFFFAOYSA-N 368.499 2.417 0 40 FEAB CCC(=O)N1CC(F)(F)C[C@@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306142966 XPKKAIQPILYDCG-KRWDZBQOSA-N 368.428 2.115 0 40 FEAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 39985376 OZPUGTSHPHUBAZ-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Cl)cc1 33850089 WEAMDMXGQVXUTM-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CC(C)[C@H](O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 551094994 GWJOMROLFAOCBD-LJQANCHMSA-N 362.495 2.163 0 40 FEAB Cc1nc(NC(=O)c2cc(C(F)(F)F)nn2C)sc1C(=O)N(C)C 32610444 ATZRWSAJFGAGFZ-UHFFFAOYSA-N 361.349 2.158 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218601654 AUAADPZMOFNVLH-SCTDSRPQSA-N 359.447 2.218 0 40 FEAB COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 42647082 XUCLTCZEVRDEFV-DOTOQJQBSA-N 358.438 2.210 0 40 FEAB O=C(NC[C@@]1(O)CCCc2occc21)c1cncc(Br)c1 1565522647 WNOVWAUEAFRNJE-HNNXBMFYSA-N 351.200 2.391 0 40 FEAB Cc1[nH]nc(-c2nn3c(-c4cnn(C)c4)nnc3s2)c1Br 79481412 MTOISUMDLRDCSM-UHFFFAOYSA-N 365.220 2.047 0 40 FEAB CC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cncc(F)c3)CC2)cc1 561915464 REQSQGKXKMIVBU-UHFFFAOYSA-N 370.428 2.321 0 40 FEAB O=C(Nc1ccccn1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71328835 LYFVAWXQEOAAHH-MRXNPFEDSA-N 370.478 2.390 0 40 FEAB CN(C(=O)CN1CCC[C@@H]1c1ccc2c(N)n[nH]c2n1)C1CCCCC1 72374503 AKDSNPKQZRSXKD-MRXNPFEDSA-N 356.474 2.468 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCOc2ccccc21)C1CCCCC1 226040732 NZKXBXNWBXLOBM-UHFFFAOYSA-N 352.456 2.006 0 40 FEAB COc1ccccc1N(CCCC(=O)N1CCC(C)CC1)S(C)(=O)=O 225635489 CNDKVIWPBVRDGK-UHFFFAOYSA-N 368.499 2.500 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225387636 FLGGSHJBHWIHPE-UHFFFAOYSA-N 374.875 2.474 0 40 FEAB COc1ccccc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 225162422 OQOGJZTUTZECAO-OAHLLOKOSA-N 367.398 2.296 0 40 FEAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCC(F)(F)CC1)C2 514290182 VACIUWSSFGMXDD-DLBZAZTESA-N 357.489 2.026 0 40 FEAB biogenic,in-vitro Cc1nc([C@@H]2CCN(C(=O)Nc3cc(Br)ccn3)C2)n[nH]1 333797394 NMUJLWDCELQHHN-SECBINFHSA-N 351.208 2.292 0 40 FEAB COC(=O)CCC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3)C2)C1 96202433 HOXSSRLRQBOWBJ-UHFFFAOYSA-N 350.846 2.328 0 40 FEAB Cc1ccc(S(=O)(=O)c2nnn3c2[nH]c(=O)c2sccc23)cc1C 98211089 JKEUXEGOGHAVJV-UHFFFAOYSA-N 360.420 2.082 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4ccccn4)CC3)OCC2=O)n1 96062180 JGJKQEHVTYYKOZ-UHFFFAOYSA-N 366.465 2.179 0 40 FEAB Cc1ccc(C(=O)NC2CCN(Cc3cnc(N(C)C)n3C)CC2)s1 331857495 FLYACFAOCUHYKY-UHFFFAOYSA-N 361.515 2.250 0 40 FEAB CC(C)Nc1nc(N2CCCC2)nc2c1CCN(C[C@@H]1CCOC1)CC2 96083839 KULSVQCVYZDQIF-INIZCTEOSA-N 359.518 2.334 0 40 FEAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1 96066108 GVBGIJOFKRSIIU-DFQSSKMNSA-N 358.482 2.351 0 40 FEAB Cc1cccc(C(=O)NC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)n1 96059771 RXKPPPSRKWKHPG-SFHVURJKSA-N 370.453 2.057 0 40 FEAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccsc2)[C@H](C(=O)O)C1 96198752 RNLDOUCUTGNKBY-HOTGVXAUSA-N 359.451 2.333 0 40 FEAB Cc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1C 245380100 RBLAOYKCVZXLRQ-HRCADAONSA-N 350.484 2.374 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 257274493 NLHBETXXUBXPGH-MRXNPFEDSA-N 354.458 2.036 0 40 FEAB Cc1nn(C)c2n[nH]c(NC(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccccc3)c12 585139757 YNZWENDESYGVAC-CJNGLKHVSA-N 366.425 2.153 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)ncn1 257226142 FJHJIAPMBMKERX-KRWDZBQOSA-N 358.442 2.445 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2Cc2nc3ccccc3n2C)n1 257260539 LDHVVRHILQGPLY-MRXNPFEDSA-N 352.442 2.287 0 40 FEAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)/C=C/c3ccccc3)C[C@H]2O)c1 257240204 HSNIIKLWQLTASJ-AQRBRUGDSA-N 353.374 2.049 0 40 FEAB CN([C@H](C(=O)NCCSC(C)(C)C)c1ccccc1)S(C)(=O)=O 260812988 NYMOYXOSIKGEDD-AWEZNQCLSA-N 358.529 2.267 0 40 FEAB C[C@H](CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 260846290 KPYAMAGFBKXGQM-RDTXWAMCSA-N 374.462 2.134 0 40 FEAB COCCOc1cnc(-c2noc([C@@H]3COc4cc(F)ccc4C3)n2)cn1 624559559 PAHKGWNXACANOH-LBPRGKRZSA-N 372.356 2.410 0 40 FEAB CC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1c1nccn1C 1615547240 DKCRAANQZTZSHX-GDBMZVCRSA-N 350.825 2.317 0 40 FEAB Cn1cncc1[C@@H]1CN(Cc2ccc(Cl)cn2)C[C@H]1CNC(=O)C1CC1 1775961378 WRMBQTSYKGTLAX-RHSMWYFYSA-N 373.888 2.210 0 40 FEAB Cn1nncc1C(=O)N1CCC[C@@H]2CN(C(=O)CCC3CCCC3)CC[C@H]21 1775991470 MMSAFFVFKNAULR-IAGOWNOFSA-N 373.501 2.239 0 40 FEAB Cn1ccc2ccc(C(=O)N3CCC([C@@H]4CC[C@H](C(N)=O)O4)CC3)cc21 1775959885 DXLZAZBFXXWSGR-ZWKOTPCHSA-N 355.438 2.063 0 40 FEAB CCCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585095952 GIDQYIYWXQRHEY-MRXNPFEDSA-N 360.483 2.377 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 55043590 GRYKKEZEYUICHG-UHFFFAOYSA-N 355.438 2.407 0 40 FEAB COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 13566285 KBPBMDAPIDSJRH-SCLBCKFNSA-N 373.453 2.208 0 40 FEAB CN1CCc2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)ncc2C1 19590533 SPJKPCBNAUJQIL-QGZVFWFLSA-N 366.469 2.044 0 40 FEAB Cn1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)n1 19712825 WAKRMIRISGVAAH-WDYCEAGBSA-N 370.428 2.226 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NC3CCN(C(C)C)CC3)C2)c1 19750436 XNRYMVCXVRDGAZ-QGZVFWFLSA-N 373.497 2.146 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 3563730 HAHVCUWLLKVXKZ-QGHHPUGFSA-N 351.353 2.404 0 40 FEAB COc1ccc(N[C@H](c2ccccn2)c2oc(CO)cc(=O)c2O)cc1 1236063 NIPHERLMSJVLCU-QGZVFWFLSA-N 354.362 2.443 0 40 FEAB CN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1cccc(F)c1 6881918 UUMXTBNEAACWOS-UHFFFAOYSA-N 361.392 2.194 0 40 FEAB CC[C@@H](C)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007604 HLQRSUHLWDLRSA-CQSZACIVSA-N 355.438 2.361 0 40 FEAB Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccccc2)co1 4941101 SETUFUSSHIPGOP-UHFFFAOYSA-N 372.406 2.078 0 40 FEAB COc1cccc(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)c1 5388110 YJKRLCWNLQBHGO-UHFFFAOYSA-N 355.419 2.297 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(F)c3)n2)cc1 9660843 TUEKGXMLRRSSQW-UHFFFAOYSA-N 367.380 2.488 0 40 FEAB COc1ccc(CCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250998 MWQMRWPPUQGMTO-UHFFFAOYSA-N 369.425 2.060 0 40 FEAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cccs1 11666019 NYQUCCYLERSYBM-UHFFFAOYSA-N 356.455 2.308 0 40 FEAB Cc1nnsc1C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 36705670 OQPIIXMQEGGDJG-QMMMGPOBSA-N 374.451 2.368 0 40 FEAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cccs1 36700215 KGMDPYBILAFNNQ-MRXNPFEDSA-N 366.508 2.490 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccnc(O[C@H]2CCSC2)c1 225717997 ZXXDXDNOMKIQGT-HNNXBMFYSA-N 368.422 2.194 0 40 FEAB Cc1cc2ncnc(N3CC(Cn4nc(-c5ccncc5)ccc4=O)C3)c2[nH]1 585605880 OWDGJEFCNBQEBB-UHFFFAOYSA-N 373.420 2.021 0 40 FEAB CN1CCc2cc([C@H](O)CNC(=O)c3ccc4nsnc4c3)ccc21 96362320 OFJHAOUTRUPAPH-QGZVFWFLSA-N 354.435 2.147 0 40 FEAB Cc1ccc(C(=O)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 40039333 PMCIJFHIYYKWPN-SFHVURJKSA-N 371.458 2.394 0 40 FEAB CC[C@@H](C)n1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 100772506 MYWOOYZAOLXOOB-PIGZYNQJSA-N 368.437 2.272 0 40 FEAB biogenic Cc1ccc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)o1 51097670 UDQGWSCRIKPSJQ-RHSMWYFYSA-N 361.486 2.477 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1 1347981 BKTBQCNRUKJXHB-UHFFFAOYSA-N 352.843 2.407 0 40 FEAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 793362 LJBZQMMJNUHJOW-HXUWFJFHSA-N 353.374 2.285 0 40 FEAB O=C1C[C@@H](C(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccc(F)cc2N1 79110112 HQFGHRHOZFLFHT-DOTOQJQBSA-N 369.396 2.464 0 40 FEAB Cn1ncc2c(N3CCN(CCOc4ccc(Cl)cc4)CC3)ncnc21 12486193 BVQXLXAVDKKLKC-UHFFFAOYSA-N 372.860 2.218 0 40 FEAB CCC(CC)C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 6818024 LXBUXJIKJJYSQE-UHFFFAOYSA-N 360.505 2.478 0 40 FEAB CCOc1ccc2ccccc2c1/C=C1\NC(=S)N(CC(=O)OC)C1=O 6964623 QVPCHTIVHNUGPS-GDNBJRDFSA-N 370.430 2.469 0 40 FEAB COC[C@@H](C)NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7349361 HUZRRIQMWLCQMK-CQSZACIVSA-N 351.406 2.210 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)ccc21 105762675 PIVGQEHQPNRFEU-UKTARXLSSA-N 355.438 2.264 0 40 FEAB COc1cc(/C=C/C(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccc1OC(C)C 24985878 MYHYNPIWZNXVDZ-IWHGQQBYSA-N 367.467 2.189 0 40 FEAB Cn1c(CSc2nc3ccccc3n2C(F)F)cc(=O)n(C)c1=O 12541176 CMOHONVRBNMEFA-UHFFFAOYSA-N 352.366 2.121 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57477537 BQCGSIRLXODGSX-UHFFFAOYSA-N 369.396 2.029 0 40 FEAB O=C1CCc2cc(N[C@H]3CC(=O)N(CCc4ccccc4)C3=O)ccc2N1 27053527 FKSXZNVJOLGRJP-SFHVURJKSA-N 363.417 2.353 0 40 FEAB CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094785 IEVAAFNZGJRNGJ-MRXNPFEDSA-N 373.405 2.420 0 40 FEAB biogenic CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2097971 RROWKSFDBTZTPK-OAHLLOKOSA-N 359.378 2.030 0 40 FEAB biogenic Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](c1cccs1)C1CCCC1 58109324 VUTQHHYIFKHRDD-INIZCTEOSA-N 361.467 2.413 0 40 FEAB O=C(CCCc1c[nH]c2ccccc12)NCCn1nc2ccccn2c1=O 58282101 DYCCOWVCRIXMKC-UHFFFAOYSA-N 363.421 2.116 0 40 FEAB COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1S(=O)(=O)N(C)C 12687871 VWHLEFBXQRJENG-UHFFFAOYSA-N 374.422 2.074 0 40 FEAB O=C(COCCOc1ccccc1)N1CCN(c2ccccc2O)CC1 44902412 IEFSVVJWKAQQDU-UHFFFAOYSA-N 356.422 2.136 0 40 FEAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccc(F)cc1 102702617 QUSWSRUHJWTJCL-FGTMMUONSA-N 351.381 2.361 0 40 FEAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@H](C)c3ccn(C)n3)c12 36619190 CDQYFZLEQCNDIJ-SNVBAGLBSA-N 365.397 2.156 0 40 FEAB CCOc1ccccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3365393 GOTVZLGRRCZVMK-UHFFFAOYSA-N 357.362 2.287 0 40 FEAB COc1ccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 10447841 VTZPJIAYQBAQTA-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(Cn2ccnc2)c1 25173459 YHXYKSDDXMPVDQ-UHFFFAOYSA-N 359.389 2.280 0 40 FEAB COc1ccc(-n2c(CCC(=O)O)nc3ccccc3c2=O)c(OC)c1 3335084 ULLHDUFPHRLHAK-UHFFFAOYSA-N 354.362 2.420 0 40 FEAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)cc1 11914484 TZTHWOQOMSHYEG-UHFFFAOYSA-N 370.228 2.203 0 40 FEAB Cc1cccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 3444216 IOUFTDKKOHIRFP-QGZVFWFLSA-N 358.419 2.451 0 40 FEAB Cc1cccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)c1 9157745 XVBNKMYOCVYSSJ-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cn2)C[C@@H](C)O1 64319410 XGKGCJPYYRVVNG-XHSDSOJGSA-N 359.470 2.336 0 40 FEAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1ccc(O)cc1 9215924 AFKUDNIAJGXBLM-GDNBJRDFSA-N 372.402 2.380 0 40 FEAB CC(C)C(NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)C(C)C 6357795 IMLBEHXVJJEMIU-UHFFFAOYSA-N 355.504 2.096 0 40 FEAB COC[C@H](C)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 5320029 BQSKZSQQTKPDCP-LBPRGKRZSA-N 357.435 2.276 0 40 FEAB CC(C)(C)CC(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 14199997 WJWULGAIIPOQIO-INIZCTEOSA-N 351.878 2.447 0 40 FEAB CCN(CC)C(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 14168708 OYDKQYUGXOVLLE-UHFFFAOYSA-N 356.426 2.340 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC)c(OC)c1 4539709 XZSFWYVWUWJFER-HNNXBMFYSA-N 350.440 2.450 0 40 FEAB CCn1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c2ccccc21 9747501 ANVJACGLBLELRU-UHFFFAOYSA-N 369.377 2.437 0 40 FEAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 7640138 IUEANATWWPDJPJ-UHFFFAOYSA-N 351.406 2.490 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2c(C)cccc2C)c2ccccc2O1 7826692 CRSAKDOMTRDQRC-QGZVFWFLSA-N 354.406 2.222 0 40 FEAB CCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1C1CC1 8249246 UALNAZRMYBOYPR-CYBMUJFWSA-N 374.466 2.224 0 40 FEAB C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 92314222 KQFUIFYQXOTFAC-YQQAZPJKSA-N 370.453 2.367 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(F)c1 8777332 IWLXWNAHIOZQPQ-AWEZNQCLSA-N 367.402 2.222 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8771939 XDQZBXAENXDWFM-KBPBESRZSA-N 358.442 2.240 0 40 FEAB Cc1ccc(CCC(=O)NCC(=O)NC[C@](C)(O)c2cc(C)oc2C)cc1 76084631 NPARNECCIDZFNX-NRFANRHFSA-N 372.465 2.278 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 21668929 ZELKRAWEYRKJFG-ZWNOBZJWSA-N 364.389 2.307 0 40 FEAB CC(C)NC(=O)N[C@H]1CCN(CC2CC2)S(=O)(=O)c2ccccc21 306139362 SVJUCNXZNXDDMF-HNNXBMFYSA-N 351.472 2.240 0 40 FEAB CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 306130071 IVTBRCKLRZXBBQ-WOJBJXKFSA-N 360.454 2.108 0 40 FEAB COc1c2c(c(NC(=O)COc3ccccc3)c3c1OCO3)CCN(C)C2 32124153 NEKIJRJZXMASHL-UHFFFAOYSA-N 370.405 2.429 0 40 FEAB biogenic CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408710118 PCDPGJVKXMKXNW-UHFFFAOYSA-N 369.421 2.090 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 38833565 KHSRBGQDKQNRMZ-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB COc1ccc2nc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[nH]c2c1 32911002 GKDRKLPBWGIBHO-UHFFFAOYSA-N 369.406 2.472 0 40 FEAB CCCCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217635118 DDIIHKYGHCSMPI-CYBMUJFWSA-N 370.471 2.444 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325502 NILULGZXFHTYRA-INIZCTEOSA-N 373.478 2.454 0 40 FEAB CC(C)OCCCNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217644749 HHHWSLSUWUEXBE-UHFFFAOYSA-N 356.444 2.053 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 45134002 XGCIZLUQKNWBSY-ZIAGYGMSSA-N 350.426 2.447 0 40 FEAB COc1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 47346378 CIXXMMNMIGGNRH-UHFFFAOYSA-N 355.438 2.465 0 40 FEAB Cn1ccnc1[C@H](NC(=O)CCN1CCSC1=O)c1cccc(F)c1 45561305 CUHMKXFLUUAFOU-OAHLLOKOSA-N 362.430 2.324 0 40 FEAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[nH]n1 85875517 KJBYJLKQYRFYSL-MAUKXSAKSA-N 370.501 2.421 0 40 FEAB biogenic Cc1ccccc1C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 96256040 CNTJQWQGCKZSRA-UHFFFAOYSA-N 363.421 2.354 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 96040409 AAXHIFJWZBGHOY-LPHOPBHVSA-N 357.410 2.468 0 40 FEAB Cc1cccc(CN2CCC[C@]3(COCCN(c4nncs4)C3)C2)n1 96229253 YUCXBHRCWWGJIC-SFHVURJKSA-N 359.499 2.361 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3COCC2CC2)cc1 248045424 WORUTMMLFMHPAE-MRXNPFEDSA-N 351.468 2.201 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 247733711 IZCFTZKHKXGQMN-MRXNPFEDSA-N 360.454 2.427 0 40 FEAB O=C(NCc1nc(-c2cccnc2O)no1)c1cc(-c2ccco2)on1 253537418 XDIMVEJCJGKEHD-UHFFFAOYSA-N 353.294 2.015 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 26008184 DUSSGWRYBFOFJE-NSHDSACASA-N 360.435 2.441 0 40 FEAB Cc1c[nH]c(-c2cc([C@@H]3CCN(C(=O)C4CCOCC4)C3)nc(C)n2)n1 257244048 IJQLOAXECVDSTR-OAHLLOKOSA-N 355.442 2.226 0 40 FEAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2NC1=O 252511282 ZWLUDVIHLQHYLD-LRDDRELGSA-N 368.455 2.034 0 40 FEAB COc1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c(Br)c1 626355713 XLTIHLTYHQOQNI-DTORHVGOSA-N 356.220 2.185 0 40 FEAB C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCN(c2cnccn2)[C@H](C)C1 1655145525 YVOLBGCIKWCZOY-ZIAGYGMSSA-N 350.426 2.135 0 40 FEAB O=C(N[C@H]1CCCC(F)(F)C1)C1CCN(c2ccc3nncn3n2)CC1 676071522 AMKDPGQFVANAAQ-ZDUSSCGKSA-N 364.400 2.035 0 40 FEAB Cc1nc(CC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)cs1 82148328 CAHRSETXTKYSEE-GFCCVEGCSA-N 354.435 2.130 0 40 FEAB CN1CCc2cc([C@H](O)CNS(=O)(=O)c3ccc(Cl)s3)ccc21 96362664 JEECCMVIDDDQHA-CYBMUJFWSA-N 372.899 2.406 0 40 FEAB O=C(CN1CC[C@H](O)[C@H](Cc2ccccc2)C1)NCc1ccccc1F 585276192 MYCQPBNNAINSPF-QUCCMNQESA-N 356.441 2.367 0 40 FEAB Cn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4ncccc4c3)C2)c1 585261161 VRQTWVAVDGRIHK-MRXNPFEDSA-N 350.422 2.300 0 40 FEAB Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NC(C)(C)C)c1C 56183554 PPZGENPUVMPVMX-UHFFFAOYSA-N 351.472 2.358 0 40 FEAB COc1cccnc1N(C)S(=O)(=O)c1cnn(-c2ccccc2F)c1 89364954 JMUNJOMTAVSQTL-UHFFFAOYSA-N 362.386 2.240 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 5133794 BMEFZAGHXOUMAI-UHFFFAOYSA-N 363.391 2.291 0 40 FEAB O=C(CN1CCC[C@H](c2ncncc2-c2ccncc2)C1)N1CCCC1 12118514 UNJBHUIGUPOGKS-KRWDZBQOSA-N 351.454 2.340 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2ccccc2F)NC(=O)N3)cc1 12346694 XHPIILOJIGNTSW-SFHVURJKSA-N 367.380 2.485 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 14210682 JBXNWNIIZHPIIT-LLVKDONJSA-N 362.407 2.413 0 40 FEAB COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1cccc(C(=O)O)c1 15012696 DCCMODPUGGYYCH-ZSOIEALJSA-N 368.345 2.153 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1C 16692204 MBWCCCULHIJTOY-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB C[C@H](NCCOc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 16695443 STOYTLOLEISKSW-ZDUSSCGKSA-N 360.385 2.228 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)CC1=N2 18067048 SICUIYHZPIUNSR-HZPDHXFCSA-N 365.433 2.307 0 40 FEAB C[C@@H]1CCCCN1CC(=O)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19496331 PGKPIPGUSCGULC-IAGOWNOFSA-N 372.513 2.160 0 40 FEAB COc1cccc(C(=O)N2CCc3nnc([C@@H]4CCCCN4C)n3CC2)c1 19706166 DBEDDZFJUFAQQY-KRWDZBQOSA-N 369.469 2.142 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)s1 19747078 DCBOZXNSKJCEMZ-QGZVFWFLSA-N 351.472 2.050 0 40 FEAB CCN(c1ccc(OCC(=O)N2CCC(C)CC2)cc1)S(C)(=O)=O 19937784 PSMDOVDNSLPSQQ-UHFFFAOYSA-N 354.472 2.110 0 40 FEAB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1[N+](=O)[O-] 8477208 GEMTUHYTYUHVJO-XYOKQWHBSA-N 359.338 2.008 0 40 FEAB CCc1nc2sc([C@@H](c3ccco3)N3CCN(CC)CC3)c(O)n2n1 22578174 DEJNIXBXQUSREJ-CQSZACIVSA-N 361.471 2.379 0 40 FEAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC(=O)NC(C)C 10298629 JHJRMLHGWZJLBM-UHFFFAOYSA-N 367.453 2.073 0 40 FEAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCNC(=O)C1)oc1ccccc12 6083492 BIDQSLWFACSPPQ-GFCCVEGCSA-N 367.405 2.353 0 40 FEAB Cc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)ncc1C(N)=O 2037838299 BKHZPVBNKADZPW-CQSZACIVSA-N 368.437 2.057 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)n1 2056223579 UESCUPJJVFARIG-HXUWFJFHSA-N 367.453 2.403 0 40 FEAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2cnn(C)c2)CC1 2055754756 NJKALMSAWWWIKA-UHFFFAOYSA-N 355.486 2.391 0 40 FEAB COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=N)cc1OC 21117206 WEVSLKAFQNYVKF-UHFFFAOYSA-N 369.377 2.377 0 40 FEAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 100168769 CTWTVHMQDVBVGF-RSUWNVLCSA-N 353.296 2.165 0 40 FEAB CC/N=c1\nc(NCC)nc2n1[C@](O)(Nc1cc(C)ccc1C)CS2 101342430 IULHEEYHUKYJDO-QGZVFWFLSA-N 360.487 2.068 0 40 FEAB CCN(CC)C(=O)CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 32716214 FENJKCQEJZQORI-UHFFFAOYSA-N 354.454 2.301 0 40 FEAB Nc1nnc(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 32777016 ZOPOYTCAMOWNHW-UHFFFAOYSA-N 367.475 2.090 0 40 FEAB O=C1[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2 102558330 DJLFQOGKQHIIKW-GOEBONIOSA-N 370.748 2.361 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)Cn1ccnc1 32912132 VQZHAGNBINSSIF-BBRMVZONSA-N 362.861 2.496 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O 47355994 FGFCIHAURVXMMZ-KRWDZBQOSA-N 353.369 2.037 0 40 FEAB O=C(NC1CCC2(CC1)OCCO2)[C@@H]1CCCCN1C(=O)c1ccccc1 79228269 YLQKKEKOKVLEDL-SFHVURJKSA-N 372.465 2.483 0 40 FEAB CCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1 22832374 FLNGQEKRDQVXTK-UHFFFAOYSA-N 371.846 2.045 0 40 FEAB CC(=O)[C@H](C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 22845293 ALASMCONGFFCCC-LBPRGKRZSA-N 372.402 2.382 0 40 FEAB CCNC(=S)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O 4133046 CRABGQLQUHVGJI-UHFFFAOYSA-N 363.483 2.006 0 40 FEAB Cc1cccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1N 6993647 BHAKJRFNFUYCBT-SFHVURJKSA-N 354.406 2.334 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 7059315 DHVSSMOZIYGIPO-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB CC[C@@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 23748612 UDLDQZJYBCWHLW-HNNXBMFYSA-N 350.422 2.492 0 40 FEAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1 8318464 OCXTUSCOKPRFEZ-MRXNPFEDSA-N 373.453 2.363 0 40 FEAB COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1Br 106380052 CRCIGBAFWVVKIE-CQSZACIVSA-N 355.276 2.411 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)Cn2nc(C)c3ccccc3c2=O)c1 24973683 IWUZAMGREWJCTH-INIZCTEOSA-N 352.390 2.347 0 40 FEAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(Cc3cscn3)CC2)c1 55450165 WAMAWCWJNZHKNU-UHFFFAOYSA-N 362.430 2.199 0 40 FEAB O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccccc1-n1ccnc1 55697096 LYQTVDHKOADKCS-UHFFFAOYSA-N 370.359 2.197 0 40 FEAB Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c(C)n1Cc1ccccc1 57007653 PKPGRFWXVVXDDH-UHFFFAOYSA-N 369.465 2.165 0 40 FEAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1 57358704 YQWMWFYTTQHHAH-AWEZNQCLSA-N 366.893 2.393 0 40 FEAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O 35681859 ZEHXJDWONXVYCD-UHFFFAOYSA-N 370.430 2.242 0 40 FEAB CCn1cc(C(=O)NCCCn2ccnc2)c(=O)c2cc(OC)ccc21 22236014 CDOOQSHADAAXPQ-UHFFFAOYSA-N 354.410 2.047 0 40 FEAB CCOc1cccc([C@H](C)NC(=O)CCn2nnc3ccccc3c2=O)c1 58180727 FORMTSSGIZZKFQ-AWEZNQCLSA-N 366.421 2.458 0 40 FEAB CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2ccc[nH]2)CC1 58295862 WJGUIIOWNLPQGT-UHFFFAOYSA-N 361.467 2.207 0 40 FEAB NC(=O)[C@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1 27771424 YGSNEDDWVYQGCX-IAGOWNOFSA-N 368.389 2.188 0 40 FEAB COc1ccc(CN(C)CC(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 3356772 QIQDJLFVCNUCMT-UHFFFAOYSA-N 372.421 2.181 0 40 FEAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 104933516 INRGUUGVXQHJED-KRWDZBQOSA-N 357.433 2.271 0 40 FEAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cccs1 3364640 BHXDWOGUCGWGJQ-UHFFFAOYSA-N 358.419 2.348 0 40 FEAB Cc1cccc(OCCN2CCN(CC(=O)N3CCCCCC3)CC2)c1 48375401 DARILLQIYNHILK-UHFFFAOYSA-N 359.514 2.394 0 40 FEAB CC(C)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n[nH]1 48366125 KQYPOAZPEBASIO-ZIAGYGMSSA-N 357.458 2.472 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 45496040 JDYBXYFHBPFJNH-GOEBONIOSA-N 361.467 2.109 0 40 FEAB O=C(CCc1ccccc1)Nc1cc(O)nc2nc(-c3cccnc3)nn12 9011857 GUJBUBYMAAJRLV-UHFFFAOYSA-N 360.377 2.463 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 11480166 WHIBYAZINDQJTO-UHFFFAOYSA-N 368.349 2.326 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1 2664530 OKNXUHKNLBVFOF-SFHVURJKSA-N 372.812 2.449 0 40 FEAB CCOC(=O)N1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 12029646 SMMCVEXSLUXCEK-UHFFFAOYSA-N 368.433 2.223 0 40 FEAB COC(=O)c1ccc(CSc2nnc(-c3ccc(OC)cc3)n2N)o1 3406073 KOKGLWIQTMFHFR-UHFFFAOYSA-N 360.395 2.339 0 40 FEAB C[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 48743562 GENARUJSHZQSJZ-RNCFNFMXSA-N 374.363 2.254 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 9225897 GJSGFDZGCXIPQM-HNNXBMFYSA-N 368.499 2.177 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1ccc(F)cc1 9691340 BZMZHDASTGJKFM-UHFFFAOYSA-N 352.387 2.271 0 40 FEAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 4510398 VAXBDJVKUZLCGP-GFCCVEGCSA-N 360.439 2.375 0 40 FEAB C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5624604 JVYZKBJXEHILRX-RVDMUPIBSA-N 370.796 2.382 0 40 FEAB CSCC[C@@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O 6788089 JQMKKJWPIVWBFT-HNNXBMFYSA-N 355.419 2.438 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)c2ccccc2)cc1 4876586 PKQNCGHVUWKRQG-VAWYXSNFSA-N 373.430 2.311 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)c1 5877496 HVZDYONDDTYNFJ-KSSFIOAISA-N 362.451 2.239 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 7050961 CHBAUGPIEFKWJU-UHFFFAOYSA-N 355.437 2.290 0 40 FEAB COc1ccc2cc(CN(C)C(=O)CSc3n[nH]c(N)n3)ccc2c1 7897199 ZKJFHTNZGAQDLX-UHFFFAOYSA-N 357.439 2.299 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OC[C@H]2CCCO2)CC1 81655129 BRRADQSTQSMPGD-CYBMUJFWSA-N 361.364 2.089 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)NC2CCCC2)C1=O 8328132 UQXVESKNDPLQKH-RNODOKPDSA-N 373.453 2.300 0 40 FEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2[nH]nnc2c1 9740906 HVXNRHZKAYBWGK-UHFFFAOYSA-N 359.336 2.337 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1Cl 17636177 CKNMTBYOXBJAJY-QMMMGPOBSA-N 352.637 2.019 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408600639 BOXPWPZHHQEJFP-LLVKDONJSA-N 352.387 2.140 0 40 FEAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N[C@H]1CCS(=O)(=O)C1 8884392 XEDOVJAWMMRLCI-GJBLVYBDSA-N 366.439 2.266 0 40 FEAB Cc1nc(CCNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cs1 95408288 NQUBGRSZFKSQNY-CQSZACIVSA-N 353.513 2.202 0 40 FEAB Cc1nc(N2CCN(C(=O)C3CC3)CC2)ccc1I 95455267 FYPROVDOIQYSAZ-UHFFFAOYSA-N 371.222 2.053 0 40 FEAB C[C@@H]1CO[C@@H](CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95421447 ZSZOGTCVAAPLBZ-ZYHUDNBSSA-N 354.332 2.143 0 40 FEAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985937 KUPLNBVVBQEXIK-KRWDZBQOSA-N 360.435 2.006 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72378046 GZLXRQVVQVYCIM-OAHLLOKOSA-N 354.414 2.100 0 40 FEAB Cc1nc2ccccc2n(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1=O 72404086 YHXMKPBHAPWZSF-ZDUSSCGKSA-N 371.422 2.047 0 40 FEAB CN(CC(=O)NCc1ccccc1)C(=O)c1cc(Cc2ccccc2)[nH]n1 559579176 FSWPPPFMOFDPSZ-UHFFFAOYSA-N 362.433 2.389 0 40 FEAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)nc2C1 72398715 NEMHGDKGTPQETL-CJNGLKHVSA-N 358.486 2.311 0 40 FEAB CNC(=O)c1cccc(OCC(=O)NC2CCc3ccccc3CC2)c1 560464245 JYXVCZHPTNJNLW-UHFFFAOYSA-N 352.434 2.489 0 40 FEAB Cc1ccsc1CCC(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238895982 RAUYACKMIAPFFA-GASCZTMLSA-N 358.463 2.151 0 40 FEAB COc1ccccc1NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225881897 DUWMMAAYNWRNOW-UHFFFAOYSA-N 355.441 2.108 0 40 FEAB COc1ccc([C@H]2CCN(c3nccc(N[C@H]4CCCOC4)n3)C2)cc1 333271839 NVYIUGPIQASXBZ-IRXDYDNUSA-N 354.454 3.070 0 40 FEAB Cc1occc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96048525 LVKBHOCCZFKDGJ-RDTXWAMCSA-N 360.389 2.393 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 148145861 JSMAFCNGNGMQLA-UHFFFAOYSA-N 370.453 2.463 0 40 FEAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 1592326235 WDTODHUITSDOAC-BJOHPYRUSA-N 351.414 2.114 0 40 FEAB CN(C)Cc1ccc(N2CCN(C(=O)c3coc(CC4CC4)n3)CC2)nc1 585080354 WBODRJAQVVGIRP-UHFFFAOYSA-N 369.469 2.046 0 40 FEAB Cc1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 253600098 DRNQKIVIWPDGCW-IRXDYDNUSA-N 359.499 2.420 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)c(C)n1 257243387 IGSTZGLGHGNGDC-HNNXBMFYSA-N 354.414 2.327 0 40 FEAB Cn1nnc2cc(C(=O)N3CCN(c4cccc5[nH]ccc45)CC3)ccc21 616752354 GFJFYJYDDWXPQW-UHFFFAOYSA-N 360.421 2.412 0 40 FEAB COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccnc3ccnn23)cc1 626325090 GQYJUHOOAVEUII-QGZVFWFLSA-N 365.437 2.305 0 40 FEAB O=C(NCc1cccc(N2CCOCC2)n1)c1cc(C(F)(F)F)ccn1 640130023 OREBURJDJOOUDY-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN([C@H](C)CC(=O)O)CC1 630222014 CIELJBARDPPABH-SNVBAGLBSA-N 359.348 2.030 0 40 FEAB Cc1nnc(COC2CN(C(=O)[C@@H]3CC(C)(C)Oc4ccccc43)C2)o1 644215390 BMAXYHGMJCCONW-OAHLLOKOSA-N 357.410 2.450 0 40 FEAB Cc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)sc1C(=O)O 679398768 LEQAZRGLCDDGBI-NWDGAFQWSA-N 374.418 2.341 0 40 FEAB CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC12CCC(CC1)C2 1209013048 NDDOGAHCDDTWHB-XBMUEBEBSA-N 371.591 2.244 0 40 FEAB COc1ccnc(N2CC[C@H](Oc3ccncc3Br)C2)n1 1776008670 LRLOEXHOFPESIK-JTQLQIEISA-N 351.204 2.300 0 40 FEAB CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(C(=O)O)cc2)CC1 485520813 QZMHALCKZBSVAQ-UHFFFAOYSA-N 361.442 2.175 0 40 FEAB CCOC(=O)[C@]12CCCN(C(=O)C3(F)CCC3)C[C@H]1CN(C(C)C)C2 585108060 JUVAJHZRTWBUJY-YJBOKZPZSA-N 354.466 2.391 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)c2n1 68077257 DSAAIRCSDPCTEJ-OAHLLOKOSA-N 360.364 2.396 0 40 FEAB CNC(=O)C[C@]1(O)CCCN(Cc2c(F)cccc2Br)C1 643757485 NKVWIDQBZQHQGP-OAHLLOKOSA-N 359.239 2.051 0 40 FEAB Cc1cc(Br)cc(Br)c1NC(=O)C1=NCCN1 5577921 VJCWIWHCQGFIDT-UHFFFAOYSA-N 361.037 2.460 0 40 FEAB COC(=O)CNC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 5888951 OXBVTKYDWRPCSP-UHFFFAOYSA-N 366.468 2.280 0 40 FEAB C[C@@H](Cc1ccc(F)cc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19456802 RXNVLQCVSUCOOY-GOEBONIOSA-N 368.460 2.263 0 40 FEAB CCc1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)on1 19693608 GVUDEZISDOETOF-GOSISDBHSA-N 365.393 2.303 0 40 FEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cn(C)c(=O)c2ccccc12 19716566 CLQAXEOGUVJWDF-LBPRGKRZSA-N 352.438 2.250 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cccnc2O)C3)nc1 1888866481 PDQMENPFSAVROF-LIRRHRJNSA-N 354.410 2.207 0 40 FEAB O=C(c1cc(C2CC2)[nH]n1)N1CCC(COc2ccc3nccn3n2)CC1 1888891063 PIQYIFALGZKIFQ-UHFFFAOYSA-N 366.425 2.261 0 40 FEAB COc1ccc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223542 QZNPYXKWUFCFIV-FQEVSTJZSA-N 367.453 2.403 0 40 FEAB CC(C)C[C@H](NC(=O)CCCCCO)C(=O)OCCCCCC(=O)O 2060999823 VKVXPSKJABNCRW-HNNXBMFYSA-N 359.463 2.258 0 40 FEAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2nnc([C@@H]3CCOC3)o2)C1 2086939629 NYWTUOWKLHWWCF-ZIAGYGMSSA-N 350.463 2.042 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@@H]3C)CC2=O)cc1OC 5201924 YDJFXBAOSXNEIM-KBPBESRZSA-N 361.442 2.393 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1 11988664 TYHDPWYXXIQVNS-UHFFFAOYSA-N 370.380 2.399 0 40 FEAB CC1(C)COCCN1CCS(=O)(=O)c1ccc(Br)cc1 40158286 XTOCBZJVTSWAIS-UHFFFAOYSA-N 362.289 2.334 0 40 FEAB CC(C)CCN1CN(CCN2CCOCC2)Cn2c1nc1ccccc12 20101206 IUIBZFPQXHXDST-UHFFFAOYSA-N 357.502 2.452 0 40 FEAB O=C(Cc1cccc2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1 31280107 WODBGYAIQIMXFF-UHFFFAOYSA-N 366.461 2.480 0 40 FEAB CCc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 100750402 YKSSCFGRBCPBAI-SFHVURJKSA-N 364.449 2.098 0 40 FEAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898448 VIHSSXOHWMWDLJ-UHFFFAOYSA-N 352.500 2.391 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCOCC2)no1 41788882 CUFSKPYUNZKQDK-UHFFFAOYSA-N 357.410 2.128 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2nc(Cc3c[nH]c4ccccc34)no2)n1 12390981 CNCWTIVTEOQBOD-UHFFFAOYSA-N 364.409 2.385 0 40 FEAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Br)ccc1F 78681570 WOSFOJROENYXIM-RKDXNWHRSA-N 366.252 2.482 0 40 FEAB COc1cccc(Oc2ccc(CNC(=O)c3cccc[n+]3[O-])cn2)c1 53995487 ZQIHMWOOFVPEFC-UHFFFAOYSA-N 351.362 2.446 0 40 FEAB COc1ccc(CNC(=O)COC(=O)C2=Cc3ccccc3OC2)cc1 4982261 IKIOTSWCCWSJTC-UHFFFAOYSA-N 353.374 2.331 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(NS(C)(=O)=O)cc1 23232406 KDMBZRPMQFBFIB-BETUJISGSA-N 368.455 2.004 0 40 FEAB Cc1ccc(CN(C)C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)o1 8211749 IBCPUEVNJWFPOG-UHFFFAOYSA-N 354.362 2.245 0 40 FEAB OC1CCN(c2ccccc2NCc2nnnn2-c2ccccc2)CC1 55887691 DNIDJYBHEMFISY-UHFFFAOYSA-N 350.426 2.236 0 40 FEAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NC[C@@H]1COCCO1 55846652 SMQMRHYUEYVIQQ-QGZVFWFLSA-N 365.433 2.490 0 40 FEAB COc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9828091 VTKAXCRCNGWPII-UHFFFAOYSA-N 356.378 2.177 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 107324787 OGJORKYMDLSCNA-XUXIUFHCSA-N 356.513 2.310 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(N3CCNC3=O)cc2)n1 44654481 HSDXWOQHPBIAAW-CYBMUJFWSA-N 355.442 2.096 0 40 FEAB CCC(CC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 10078243 RFNFEMYTMLHXJF-UHFFFAOYSA-N 357.451 2.030 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)NCc1nnc2n1CCCCC2 48275996 YZBIPERXTXGYAX-UHFFFAOYSA-N 356.426 2.075 0 40 FEAB CCc1noc([C@@H](C)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)n1 58180012 AQFNSQRXMKOZMZ-OAHLLOKOSA-N 372.469 2.479 0 40 FEAB COCCN(C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)[C@@H](C)COC 58154290 NMUKMCSWBPJXPG-XYJFISCASA-N 362.470 2.106 0 40 FEAB CC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1OCC(=O)NC 58209496 HWWIUYUIARASRD-AWEZNQCLSA-N 356.426 2.293 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 58226829 QLLWVIVNZSAJDI-FGTMMUONSA-N 350.507 2.140 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c(C)noc1C 58266671 KLFJCSFSEDIBAI-UHFFFAOYSA-N 358.442 2.300 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(Br)c1 101336363 JAYMFRYWIBHXEG-RVMXOQNASA-N 352.184 2.350 0 40 FEAB Cn1cc(-c2nc(C(=O)NCc3ccnc(N4CCCC4)c3)cs2)cn1 44958851 RBTPJGZEBSJWNV-UHFFFAOYSA-N 368.466 2.469 0 40 FEAB CC(C)CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 105041296 AZOXFPBIRXKXFV-UHFFFAOYSA-N 352.500 2.438 0 40 FEAB COc1nc(N2CCCCC2)nc(N2CC(=O)[C@@H](c3ccccc3)C2=N)n1 103204395 CVZDSOBDGUCQSG-OAHLLOKOSA-N 366.425 2.021 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NC3CCCC3)N=C2O)cc1 36594994 OGMHXZGIUFPNIJ-MRXNPFEDSA-N 359.426 2.159 0 40 FEAB COc1ccc(Br)c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 45750985 JJWUBXBTCBPABU-AWEZNQCLSA-N 367.243 2.341 0 40 FEAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 46061359 SCIPHWDZJWBXJT-UHFFFAOYSA-N 362.495 2.197 0 40 FEAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccco1)C2 306138376 RWCXYNZPQJBCKR-AWEZNQCLSA-N 359.401 2.429 0 40 FEAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 29994894 PLBPTGCOJVEWLL-VIFPVBQESA-N 374.418 2.225 0 40 FEAB CCN(CC)[C@@H](CNC(=O)CSc1nc2ncccn2n1)c1ccco1 29918749 ZWFBESQCYWWXGF-ZDUSSCGKSA-N 374.470 2.009 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(-n2cnnn2)cc1 3445590 RRYVYKJLWBSIIR-HNNXBMFYSA-N 351.410 2.179 0 40 FEAB Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccc(Cl)cc1 3518001 FNJJGDBAADJXJH-UHFFFAOYSA-N 350.831 2.377 0 40 FEAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)C1(F)CCC1)C2 306141515 VYTQYHFDWDVZFW-MRXNPFEDSA-N 361.461 2.413 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 13003852 HCKZEGBXYVWCGS-WDEREUQCSA-N 363.366 2.096 0 40 FEAB COc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1NC(C)=O 13058943 VSKDLOSEFMDUPT-UHFFFAOYSA-N 350.396 2.463 0 40 FEAB COc1ccc(C(=O)O)c(O[C@H](C)C(=O)NCc2ccccc2OC)c1 13315768 UKNDBJVGPYCJRO-GFCCVEGCSA-N 359.378 2.486 0 40 FEAB COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2N)cc1 71327770 ITTVZFHKKMISNK-UHFFFAOYSA-N 373.434 2.428 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)c2ccccc2O1 49604765 FIOFBEZXXRPLSI-MRXNPFEDSA-N 368.389 2.261 0 40 FEAB COCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O 6035122 GGZPFIAZPCWLEA-UHFFFAOYSA-N 374.422 2.070 0 40 FEAB CCCCCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC 4368693 OJFRSFNXXWGLRB-KRWDZBQOSA-N 371.441 2.283 0 40 FEAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 14168020 AJVNKQZUMBZCAG-RMKNXTFCSA-N 364.449 2.025 0 40 FEAB C[C@H]1CCc2c(sc3nc(SCCN4CCCC4)n(N)c(=O)c23)C1 19797046 JWIHJQJNIKCKKN-NSHDSACASA-N 364.540 2.485 0 40 FEAB Cn1ncc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1C(F)F 66606990 HSNCLOQZQJZGSJ-LLVKDONJSA-N 355.366 2.006 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)N2CCCC2)C3)cs1 306128320 GXFNDBYMBNEFRJ-OAHLLOKOSA-N 351.472 2.417 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 15797375 VRQVNWDRKGLZGI-RHSMWYFYSA-N 368.499 2.449 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)s1 7489334 WSSNSBFNVOUOAF-UHFFFAOYSA-N 359.386 2.060 0 40 FEAB CCCn1c(N)c(-c2csc(-c3ccccc3OC)n2)c(=O)n(C)c1=O 8296912 IUVIZIUPSYCYMH-UHFFFAOYSA-N 372.450 2.338 0 40 FEAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@H]1c1cccs1 70017272 YTDIRDXLGUNACY-SJORKVTESA-N 363.527 2.208 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3o2)ccc1Cl 8537123 RHWNJJXRPCWIOG-UHFFFAOYSA-N 366.782 2.486 0 40 FEAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1C1CCCCC1 17877447 XUDHNYWKQLAUHI-SFHVURJKSA-N 359.445 2.408 0 40 FEAB CCN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 69902935 LJWXVZGKCVQZCC-UHFFFAOYSA-N 364.496 2.164 0 40 FEAB CC(C)[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)N1CCCc2ccccc21 89775817 RENLVDIFYMNWKB-YJBOKZPZSA-N 358.438 2.060 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](Cc2ccc(Nc3ccccn3)nn2)C1 72363578 CHCRJTDHJCZLPA-AWEZNQCLSA-N 361.471 2.219 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2cccnc2)C1 306130631 JLRILJIVNXHENJ-NRFANRHFSA-N 359.433 2.248 0 40 FEAB Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(C(=O)C3CC3)CC2)cc1 306131962 KUBGVBQZUGEIEO-UHFFFAOYSA-N 364.449 2.288 0 40 FEAB COc1ccc([C@H](NCC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 60089072 YXDVWQIGNSHNLJ-HXUWFJFHSA-N 358.413 2.372 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@H]1c1ccccc1F 72241549 SPTSVDGJFKVJMX-QZTJIDSGSA-N 360.360 2.180 0 40 FEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217496611 YHXXMBKUPKLBED-CYBMUJFWSA-N 356.444 2.054 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1 223949928 SVIYTVJTMGUVJV-UHFFFAOYSA-N 358.489 2.301 0 40 FEAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 224113158 VQWFRROISAADBT-UHFFFAOYSA-N 374.462 2.293 0 40 FEAB CC(C)n1cc(NC(=O)Cn2cc(COc3ccccc3F)nn2)cn1 227168135 MDYHOAVKSKSPSW-UHFFFAOYSA-N 358.377 2.412 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1)S(C)(=O)=O 193753598 UCRCAYYTCUCOGF-HNNXBMFYSA-N 358.463 2.426 0 40 FEAB CN(c1ccccc1C(=O)NCCOCc1ccccc1)S(C)(=O)=O 223862709 PYRALXDTSTUUTN-UHFFFAOYSA-N 362.451 2.029 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3cccnc3)C2)C1 96100155 UPFXPZSHDQCKEP-NRFANRHFSA-N 364.449 2.174 0 40 FEAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)s1 248122296 VTNUKWBHKKTKNE-RDTXWAMCSA-N 363.483 2.073 0 40 FEAB Cc1cc(CN2CC3(C[C@@H](COCc4cccnc4)CCN3C)C2)no1 248152510 UQMUOASQZAIKDV-KRWDZBQOSA-N 356.470 2.491 0 40 FEAB COc1ccc(OCC(=O)NCc2cnc([C@H]3CCCCO3)nc2)cc1 257265200 LXSFVULSILDGLS-QGZVFWFLSA-N 357.410 2.422 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)C1 25380731 MDVGOOQWYTXASE-ROUUACIJSA-N 360.454 2.364 0 40 FEAB COc1cc(CCC(=O)N2CCCC[C@H]2c2ccn3nccc3n2)on1 257201329 AHEYGGREFSYFLQ-HNNXBMFYSA-N 355.398 2.412 0 40 FEAB CCc1nc(-c2cncnc2[C@@H]2CN(C(=O)C3CCCC3)CCO2)no1 257287759 PRJVSEZREMWLQF-AWEZNQCLSA-N 357.414 2.179 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1ncccc1C 257310698 UGDOSEXBJPBGDD-INIZCTEOSA-N 353.426 2.102 0 40 FEAB CCCOc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260913115 ZVVZKMSJMNIAAO-CQSZACIVSA-N 356.488 2.402 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CCc2ccccc2C1 299517706 DFKHPHMVKUEDQY-KRWDZBQOSA-N 353.470 2.404 0 40 FEAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575423280 OWIKXFLDLBECHV-QGZVFWFLSA-N 367.492 2.428 0 40 FEAB COCc1noc(C2(NC(=O)[C@H]3CCc4ccccc43)CCOCC2)n1 585141864 HDUHKNLKIRGAPS-HNNXBMFYSA-N 357.410 2.068 0 40 FEAB C[C@@H]1CN(c2cnn(C)c(=O)c2Cl)[C@H](C)CN1C(=O)OC(C)(C)C 92944809 DPZVPHYFTCOGAG-GHMZBOCLSA-N 356.854 2.268 0 40 FEAB COc1cccc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 1203825632 JJKMTNNUZRBCIL-UHFFFAOYSA-N 353.470 2.408 0 40 FEAB COc1cccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)c1OC 2212870 FMUCKTKSQJMXCV-JLHYYAGUSA-N 366.464 2.152 0 40 FEAB Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3CN(C(=O)c4cscn4)C[C@H]31)N2 12086328 ATYRYLOGYFIQDZ-BBEJJTJUSA-N 368.462 2.485 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)NCCOc1ccc(C)cc1 12931766 SJGLCUGWIVIQPQ-UHFFFAOYSA-N 356.422 2.319 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCCCC2)cc1 13633350 AAPGHYAYRTVRJP-UHFFFAOYSA-N 368.499 2.499 0 40 FEAB O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1N1CCCC1 14110725 RPNGEVGEFLDXKH-UHFFFAOYSA-N 351.406 2.428 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 15358933 YDMAPYPBFRSDTM-NSHDSACASA-N 357.428 2.269 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(CC3CCCCC3)C2)c2nccnc21 19021551 YLWYUPQXKNOOEZ-QGZVFWFLSA-N 370.501 2.332 0 40 FEAB COCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 19128743 QPRXERVVJYCLBL-QWHCGFSZSA-N 360.380 2.364 0 40 FEAB Cc1nnnn1-c1ccc(CC(=O)N2CCC(c3ccncc3)CC2)cc1 19288410 QACKBAGHAGXGQQ-UHFFFAOYSA-N 362.437 2.314 0 40 FEAB Cc1nc2cc(C(=O)N3CCO[C@@](C)(C(=O)NC4CCCC4)C3)ccc2[nH]1 19745954 SYRRUBVODWHFDY-HXUWFJFHSA-N 370.453 2.161 0 40 FEAB O=C(NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2)c1ccco1 19740653 WDJMVHXILHDWIY-MRXNPFEDSA-N 369.469 2.058 0 40 FEAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 19936659 HFNKPXWRHQAJJA-NSHDSACASA-N 362.407 2.180 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)c1 107286128 ICSPFYIPSWZGPG-GOSISDBHSA-N 359.514 2.248 0 40 FEAB COC(=O)C1(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)CCCC1 225724679 HQHAOPLMFDSHAQ-CYBMUJFWSA-N 350.440 2.182 0 40 FEAB CO[C@@]1(C)CCCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 684273667 NHXWLHAKVIDCMM-RXVVDRJESA-N 373.497 2.431 0 40 FEAB CN(C)S(=O)(=O)c1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 7045440 RVHOWTJFOKRHMC-UHFFFAOYSA-N 361.448 2.299 0 40 FEAB Clc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889119525 LWBUJLHXBZTEMQ-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 22276760 XWVNUBOXXHFTNU-UHFFFAOYSA-N 362.437 2.188 0 40 FEAB Cc1ccccc1NC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 23136961 OXYVFQKJZYHAON-ZDUSSCGKSA-N 359.451 2.292 0 40 FEAB O=C([C@@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCC(F)(F)CC1 2087130925 BMTLFBFEDCQPGM-HNNXBMFYSA-N 355.385 2.011 0 40 FEAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421322 QASXTEQARSAUPR-UHFFFAOYSA-N 355.373 2.201 0 40 FEAB O=c1c(=O)n2c(nn1Cc1cccc(Cl)c1)N(c1ccccc1)CC2 8848823 YKPORDKJPJRQGK-UHFFFAOYSA-N 354.797 2.258 0 40 FEAB COc1cccc(CN2CCn3c(CNC(=O)C4CC4)cnc3[C@H]2C)c1 2055759265 DKPKOCWYJIMFCA-CQSZACIVSA-N 354.454 2.495 0 40 FEAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1OC1CCCC1 40154353 YGHZZEDQEKIDLI-CYBMUJFWSA-N 357.410 2.431 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H](C)CCc1ccccc1 40143273 VENOGLZUPHOSKF-LLVKDONJSA-N 350.440 2.295 0 40 FEAB O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2)nc1 31315047 ZKYDVALZSUJOBO-UHFFFAOYSA-N 372.856 2.381 0 40 FEAB COc1ccc(CCNc2c(NCc3ccco3)c(=O)c2=O)cc1OC 101699573 MEBZQDTXULKIIW-UHFFFAOYSA-N 356.378 2.160 0 40 FEAB COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768098 KDQMEPMQBVNOJA-UHFFFAOYSA-N 363.439 2.369 0 40 FEAB CCOc1ccccc1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 102619454 WDAPFZKAVLQQMB-UHFFFAOYSA-N 371.441 2.332 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1c[nH]c2ccccc2c1=O 32967088 MGSZKMZARHLNMP-MRXNPFEDSA-N 368.414 2.177 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 920971 XDAMDGWORVEZKX-UHFFFAOYSA-N 374.528 2.138 0 40 FEAB CN1CCN(C(=O)Nc2ccccc2F)[C@H](CNC(=O)OC(C)(C)C)C1 79076039 CTXUUFYUHBBDJT-CYBMUJFWSA-N 366.437 2.498 0 40 FEAB CCOC(=O)CC(=O)CSc1ncnc2c1cnn2-c1ccccc1 4409963 LJSJXDOWLOKVDM-UHFFFAOYSA-N 356.407 2.430 0 40 FEAB CCCNC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 4973416 ZUEFGLKCADHTLR-UHFFFAOYSA-N 360.414 2.122 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)c(Cl)c1 6593310 FZLMCHMNCFCFAZ-NSHDSACASA-N 362.879 2.322 0 40 FEAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)cc1 8476395 WAYKFGFVVGZWSP-UHFFFAOYSA-N 352.394 2.055 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)[C@@H](Cc1ccccc1)n1cnnn1 24603617 MLEDGYYCCVVNGW-LJQANCHMSA-N 360.421 2.297 0 40 FEAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 55120493 RMAGJYOIAKOSKZ-OAHLLOKOSA-N 350.378 2.217 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccccc3O)CC2)c1C 34864590 ZCLPMNCQTNUFEK-UHFFFAOYSA-N 371.437 2.129 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 57994026 ROSFCNWJAVFHOC-UHFFFAOYSA-N 374.416 2.135 0 40 FEAB CC(C)[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)N1CCCC1=O 58143310 VHOSBFZFNCQTLZ-IBGZPJMESA-N 354.454 2.195 0 40 FEAB O=C1COc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2N1 11486126 QXKINVMROGLIKX-UHFFFAOYSA-N 350.378 2.256 0 40 FEAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1 60341579 POYKNXLRZJIECP-UHFFFAOYSA-N 350.382 2.053 0 40 FEAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(c2ccccc2)CC1 2651615 LSCDIOLTWCUAIG-UHFFFAOYSA-N 374.444 2.254 0 40 FEAB O=C(CSc1nnc(-c2ccccc2)o1)NC(=O)NCc1ccco1 3515789 HJYWXLNYPZLVTL-UHFFFAOYSA-N 358.379 2.448 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)CO[C@@H]1CCCc2ccccc21 12918473 DLSOZCGLMYHSBJ-GDAAHCPNSA-N 355.434 2.393 0 40 FEAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)OCCCO2 13017705 QDSRNHGJKXWTSI-UHFFFAOYSA-N 356.378 2.225 0 40 FEAB O=C(O)c1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 13093814 SHVZTXSYYVGTCA-SECBINFHSA-N 355.309 2.487 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1 5079221 DDGKZSQNJOLBHR-UHFFFAOYSA-N 371.389 2.114 0 40 FEAB O=C(COc1ccc(F)cc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714667 WBGXAKXBXOWAFT-UHFFFAOYSA-N 372.396 2.245 0 40 FEAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 65512449 ARIOWCIJPOXXEG-CYBMUJFWSA-N 350.802 2.244 0 40 FEAB O=C(CC(F)(F)F)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005166 KHAIDDGTZBBQCU-LBPRGKRZSA-N 350.362 2.372 0 40 FEAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 6679641 MNCPNVJOSWKDRW-UHFFFAOYSA-N 367.789 2.193 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2CCC2)cc1 6639630 WJDQOVMBHNIKHD-LBPRGKRZSA-N 368.455 2.044 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 9376023 YXVBUEBZDBTOOB-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976182 SPNQKZRKKYZGGA-INIZCTEOSA-N 350.434 2.148 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(CC)c1C 7015700 NVMWOPFYNRPZMI-UHFFFAOYSA-N 369.472 2.227 0 40 FEAB CC1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 15858210 PKRZWASFAYAJFP-UHFFFAOYSA-N 370.858 2.279 0 40 FEAB Cc1n[nH]c2ncc(C(=O)Nc3cccc(N4CCCNC4=O)c3)cc12 81174630 LGSBNAMTZWJQLA-UHFFFAOYSA-N 350.382 2.438 0 40 FEAB C[C@@H]1Sc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2NC1=O 9515207 BEPQNFBVDSYCMB-VIFPVBQESA-N 367.386 2.060 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1 8312385 ZIDMDLCVHBHSFR-HNNXBMFYSA-N 369.487 2.284 0 40 FEAB COc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cn1 17297126 HFOBXTMKXLOWKI-ZRDIBKRKSA-N 361.423 2.009 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)C1=O 8778151 IUDVEVVISBRGCU-GOSISDBHSA-N 370.434 2.469 0 40 FEAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(C(=O)C2CC2)CC1 8880228 UQMVBEBNJVIIKE-UHFFFAOYSA-N 352.866 2.195 0 40 FEAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1OC 20154109 JTDFXWIJAQGDJV-UHFFFAOYSA-N 357.410 2.375 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)C[S@](=O)Cc1cccc(C(N)=O)c1 84705468 FKKHSAYWJXOLTB-PTFIGZPYSA-N 370.474 2.402 0 40 FEAB NC(=O)c1cc(Cl)nnc1N1CCC[C@H](n2nccc2C(F)(F)F)C1 95994816 MFLUBXKCCFGUTH-QMMMGPOBSA-N 374.754 2.286 0 40 FEAB CNS(=O)(=O)[C@@H]1CCN(Cc2nc3ccccc3c(C)c2Cl)C1 89568322 JYAWJMQHISRMJK-GFCCVEGCSA-N 353.875 2.320 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 222825213 OXVFZWBJGRSVHK-HNNXBMFYSA-N 356.422 2.237 0 40 FEAB O=C(COc1ccc(F)cc1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306124082 BFRPJWKMQYVLKM-BMGDILEWSA-N 371.412 2.185 0 40 FEAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C 67890080 LJBPPWAMRLJPPM-PBHICJAKSA-N 364.490 2.172 0 40 FEAB biogenic,in-vitro C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCC2(CCOCC2)C1 517949001 NPDMYSDEYUZAEZ-OAHLLOKOSA-N 360.454 2.282 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(Cl)c1 408625407 STBAHBXNDVVYSR-UHFFFAOYSA-N 362.879 2.322 0 40 FEAB Cn1ccnc1CCC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 1520761125 LOHIBBGEZMMASY-MRXNPFEDSA-N 371.441 2.292 0 40 FEAB O=C(CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O)NC[C@@H]1CCCO1 409201369 MFKFSDDCWWDRML-VETAEQIYSA-N 362.407 2.167 0 40 FEAB O=C(COc1ccccc1F)N1CCc2nc([C@@H]3CCCN3)ncc2C1 72390806 SKLGNTBETFCDBQ-INIZCTEOSA-N 356.401 2.004 0 40 FEAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCCO 32611364 VSOJCCMHAHWWQE-ZETCQYMHSA-N 358.158 2.032 0 40 FEAB COc1cc(CNCCCO)ccc1OCC(=O)Nc1ccccc1C 36611956 LPVBHLLJTFQANE-UHFFFAOYSA-N 358.438 2.493 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218456983 DULAXBPYVIQRRT-CMKODMSKSA-N 373.474 2.449 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(CO)C(=O)O)cc1 218506251 LLKLXAPTIPKSQG-JFIYKMOQSA-N 364.394 2.137 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)N1CCC(O)(c2cccnc2F)CC1 72340009 YONTZDSTQJBWIL-UHFFFAOYSA-N 358.369 2.116 0 40 FEAB CC1=C[C@]2(Nc3cc(C)c(C)c(Br)c3O2)C(C(N)=O)=C(N)O1 40546314 PIUULIUPYXIUCQ-OAHLLOKOSA-N 366.215 2.156 0 40 FEAB CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 40105411 GLMRVHRLNFLSNC-ZDUSSCGKSA-N 362.451 2.160 0 40 FEAB COc1cccc(C(=O)NCc2nccc(N3CCCCC3)n2)c1OC 224158980 JUOBMZRAZIXFRC-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB O=C1CN(C(=O)NCc2c(F)cccc2N2CCCC2)[C@H]2CCCC[C@@H]2N1 332884726 OGCWLKHLEKEAJV-WMZOPIPTSA-N 374.460 2.379 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96240792 PEEMXBLBVKKINC-MRXNPFEDSA-N 366.408 2.358 0 40 FEAB O=C([C@H]1CCCO1)N1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239073 RGOIBWNBJIBAQX-QAPCUYQASA-N 350.365 2.099 0 40 FEAB O=C(c1cccs1)N1CCOC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96052037 YMPUZYUPNBJMOE-YJBOKZPZSA-N 350.484 2.092 0 40 FEAB CC[C@H](C)N(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@H](C)CC 25047517 UTBRKHQQVMXWDP-BETUJISGSA-N 374.437 2.495 0 40 FEAB O=C(C[C@H]1CN(Cc2ccco2)Cc2ccnn21)NCCc1ccncc1 247871889 REBNXCVOFUNXIW-SFHVURJKSA-N 365.437 2.177 0 40 FEAB Cc1ncccc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257297382 RGZLTSIBXFYXFF-MRXNPFEDSA-N 350.422 2.369 0 40 FEAB CN(C(=O)c1ccc(OCCN)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257221048 DNHLTBDVVCILKH-VAMGGRTRSA-N 370.449 2.067 0 40 FEAB Cc1cc(NC(=O)CCCn2cc(COc3ccccc3)nn2)n(C)n1 252489765 JZNMGASHVALSDO-UHFFFAOYSA-N 354.414 2.318 0 40 FEAB Cc1cc(C)nc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257332491 XXNDUEBTLAOKQY-QGZVFWFLSA-N 354.458 2.057 0 40 FEAB COCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 257240996 HWEGFGLRFSXAPM-OKILXGFUSA-N 362.474 2.165 0 40 FEAB C[C@]1(NC(=O)c2ccnc(Cc3ccccc3F)c2)CCS(=O)(=O)C1 257340675 ZHDQSKHMQQUHDC-SFHVURJKSA-N 362.426 2.119 0 40 FEAB COc1ccc(CC(=O)N2C[C@H]3CC[C@@H](Nc4cccnn4)[C@H]3C2)cc1 257283170 OXAMMVLPURJQMA-BPQIPLTHSA-N 352.438 2.377 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 251983976 GSPRBJMDKAAGSA-MRXNPFEDSA-N 357.458 2.351 0 40 FEAB O=C(O)[C@]12CCCN(Cc3cccs3)[C@@H]1CCN(c1cnccn1)C2 72422669 WQCSXDRLZXTFCN-QAPCUYQASA-N 358.467 2.484 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)cc1 1627494709 IABLAHXQSPRDRG-CYBMUJFWSA-N 371.466 2.248 0 40 FEAB CC(C)CCC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575404172 QFKAIUZHOIMERP-HNNXBMFYSA-N 354.516 2.148 0 40 FEAB O=S(=O)(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1 585111909 IXHXQJURSAXWRB-KRWDZBQOSA-N 372.450 2.012 0 40 FEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](S(C)(=O)=O)CC1 669697215 QPBBDEJLYHTVRP-WBVHZDCISA-N 364.511 2.253 0 40 FEAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC(N)=O)CCCO2)c1 585166777 GCTNUTBRGYRWIW-NRFANRHFSA-N 368.433 2.055 0 40 FEAB Cn1ccc(C(=O)N2Cc3cncn3CC[C@@H]2COc2ccccc2)n1 585096971 GDVCEDULJYTXLZ-OAHLLOKOSA-N 351.410 2.110 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC(O)CC2)C3)c1 585104930 XNVZQCCNBSSHGR-FQEVSTJZSA-N 372.509 2.463 0 40 FEAB CO[C@H]1CN(C(=O)CCn2ccccc2=O)CC[C@@H]1Cc1ccccc1 585280576 KUJJUHOGRCAPIL-MOPGFXCFSA-N 354.450 2.345 0 40 FEAB CC1=C(C(=O)N2CC3(CN(C)C[C@H]3c3n[nH]c(C)n3)C2)CCC(C)(C)C1 1775958332 RFCYJULXQSHGPI-INIZCTEOSA-N 357.502 2.497 0 40 FEAB CC(C)C[C@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)N1CCCCC1=O 87135454 SDUTYBLOMYUYPW-IAGOWNOFSA-N 362.474 2.428 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1cccs1)C1CC1 75155340 VTNZNMWMCQSDRL-LJQANCHMSA-N 362.495 2.469 0 40 FEAB Cc1csc(NC(=O)CN2CCOC[C@@H]2CC(=O)c2ccccc2)n1 95975605 CXXLNCCPHIRAHB-HNNXBMFYSA-N 359.451 2.364 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCc2ccccc2)[C@H](C(=O)O)C1 140624979 TXZPPCRYQXSVCL-KGLIPLIRSA-N 364.398 2.233 0 40 FEAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)NCc1ccc(F)cc1 13701937 UGRNFWSORFWOBS-UHFFFAOYSA-N 360.414 2.373 0 40 FEAB O=C(Cc1cc(=O)oc2cc(O)ccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 15954259 NDCKGNPLTQBZIY-VLIAUNLRSA-N 357.406 2.195 0 40 FEAB biogenic CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCC/C=C\1C(=O)OC 16974843 DVEZQQPWLQWKCS-YVJSUPCUSA-N 354.399 2.122 0 40 FEAB Cc1ccccc1CN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1 19237261 WGMZKGOSPYSRLP-HZPDHXFCSA-N 368.481 2.250 0 40 FEAB CC(=O)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365893 KPSJPFNMTNAOEQ-ROUUACIJSA-N 352.862 2.003 0 40 FEAB CCCN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19502649 SUFNEFILDFAMIC-SFHVURJKSA-N 370.501 2.480 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1OC 19560449 YOSNWWXBNAIAEE-CQSZACIVSA-N 367.409 2.048 0 40 FEAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1cnccn1)C2 19562507 WNEVNQSZOFQEMX-IBGZPJMESA-N 353.422 2.479 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 19936798 UBSSWBXQJKLWIA-UHFFFAOYSA-N 362.363 2.144 0 40 FEAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O 101273941 BFHMTMGZFJYCKJ-NSHDSACASA-N 372.240 2.377 0 40 FEAB CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2cccc(Br)c2)C1 652389782 GGVSFDCDIWFRNW-UONOGXRCSA-N 355.232 2.175 0 40 FEAB Cc1nc(C)c(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)s1 1888850409 NGDDKWIAKIVTQG-HOTGVXAUSA-N 355.463 2.377 0 40 FEAB c1nc(C2CCC2)cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 1889111458 ZARPTEQJMXWBBE-UHFFFAOYSA-N 365.485 2.461 0 40 FEAB COc1ccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)cc1F 2086992571 VTVDHORBAJUTBJ-UHFFFAOYSA-N 356.463 2.223 0 40 FEAB COC(=O)c1ccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 225753022 WIDLNOMVPDNEPW-UHFFFAOYSA-N 368.437 2.473 0 40 FEAB Cc1[nH]c2nc(SCc3ccccc3Cl)nn2c(=O)c1CCO 100891291 XGBOBJHERVMAKH-UHFFFAOYSA-N 350.831 2.207 0 40 FEAB Nc1nccnc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 31892366 IULKHGLUJPOUBI-ZDUSSCGKSA-N 363.824 2.418 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCCN1CCCc2ccccc21 101374215 MPEOJCAZOWOQSO-IRXDYDNUSA-N 370.449 2.158 0 40 FEAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)n1 32827158 LIAROZILGYMSAZ-UHFFFAOYSA-N 355.441 2.471 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1c1nc2ccccc2s1 32899997 CSFJOAGKOLDXNT-CYBMUJFWSA-N 353.469 2.010 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC 32904718 HVXVKBCNNGVQRT-LBPRGKRZSA-N 360.435 2.195 0 40 FEAB Cc1ccc([C@H](O)CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 52899594 XVNVFAMQWDRGHC-LJQANCHMSA-N 363.417 2.069 0 40 FEAB CC(C)N(CCCNC(=O)c1c[nH]cc1-c1ccccc1)S(C)(=O)=O 53418864 RWBUXASJCKPLGT-UHFFFAOYSA-N 363.483 2.472 0 40 FEAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 22699195 ACCRHSPTXMKWEA-QGZVFWFLSA-N 366.421 2.032 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422755 OVMIUEOSIXTGTL-LBPRGKRZSA-N 371.462 2.050 0 40 FEAB CCOc1ccc(CN2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 77487018 LMMRDNHZZZBJRJ-UHFFFAOYSA-N 364.453 2.383 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12408282 NYIDSBWWFVVTDI-JKSUJKDBSA-N 355.438 2.315 0 40 FEAB C[C@@]1(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)CC1(Cl)Cl 47694640 IQEHMLIJIJECMM-PELKAZGASA-N 363.270 2.299 0 40 FEAB CN1C(=O)c2ccc(NC(=O)COc3ccc4c(c3)CCC4)cc2C1=O 23386220 QCENZTJRMCELGV-UHFFFAOYSA-N 350.374 2.419 0 40 FEAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@H](C2)N1C(=O)CCN 100222799 FZJODZHBADYZGP-GDBMZVCRSA-N 366.469 2.223 0 40 FEAB CO[C@@H](C)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 54923963 RCEYPBXEPWOJCY-VIFPVBQESA-N 351.756 2.437 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1OC 10008881 OJMIGKKXLBVDKJ-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc2c(c1)OCO2 10112795 AQYGCUBFCHGZDU-UHFFFAOYSA-N 362.407 2.025 0 40 FEAB Cc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c(C)c1 100742527 GZYUFWGPSMYRKQ-BZUAXINKSA-N 350.484 2.374 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 8223281 DJTWVSKYEHWLDH-GFCCVEGCSA-N 352.843 2.323 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCOCC4)c3)C(=O)[C@H]2C1 8473167 SDXVSMXYGWJAKU-SJORKVTESA-N 354.406 2.005 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 25055685 LQQXEJKDNNHHGW-SFHVURJKSA-N 371.389 2.014 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 54845954 JVZNXTPHDKGUNJ-UHFFFAOYSA-N 363.373 2.336 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CCN(Cc2ccncc2)CC1 58171687 IPIKPFMPTMYVFL-SFHVURJKSA-N 368.485 2.156 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(N2CCCCC2)CC1 58215999 APBHAAJDMPPBAD-UHFFFAOYSA-N 368.481 2.264 0 40 FEAB O=C(NCCOc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 2170555 IBGSMXMLCOHJFI-SFHVURJKSA-N 374.462 2.035 0 40 FEAB COC(=O)c1ccc(CCNC(=O)c2cc(-c3cccnc3)on2)cc1 58342151 PWXFMDRQELRKIT-UHFFFAOYSA-N 351.362 2.496 0 40 FEAB CCC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 58312789 PXZZZMOWXDNQOI-QGZVFWFLSA-N 371.481 2.056 0 40 FEAB CCCNC(=O)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 58162980 NQQHOWRBSWFPEV-UHFFFAOYSA-N 356.391 2.103 0 40 FEAB CCOC(=O)c1oc(NS(=O)(=O)c2ccc(OC)cc2C)nc1C 95455177 IIHSTMWEXYOVMX-UHFFFAOYSA-N 354.384 2.278 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CCn2cnc3sccc3c2=O)c1 12822520 ULFLFMPHFAEKRO-UHFFFAOYSA-N 356.407 2.445 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O 20037598 ONKFFXWFYPCTGR-UHFFFAOYSA-N 354.472 2.171 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCC3)c1 60488287 XAOGBSKXGRGOIP-UHFFFAOYSA-N 374.462 2.287 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 2656344 NKFMRSYIBRZZFH-HXUWFJFHSA-N 367.405 2.409 0 40 FEAB COc1cc(CC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 2619552 OJQHGZFSLBWVBQ-UHFFFAOYSA-N 359.378 2.300 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1Cl 3434189 ZWKUSFQLHMSLPN-UHFFFAOYSA-N 370.833 2.360 0 40 FEAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc(N2CCOCC2)cc1 3511177 UHBMCGXMQVNEEZ-UHFFFAOYSA-N 356.378 2.024 0 40 FEAB O=c1c2ccccc2nnn1CN1c2cccc3cccc(c23)S1(=O)=O 6084411 IDHCRTIWRRKXRO-UHFFFAOYSA-N 364.386 2.111 0 40 FEAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCCc1ccccc1 6362536 GZUKOVOYRMVIME-UHFFFAOYSA-N 366.417 2.329 0 40 FEAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)n1C 23574326 WMTIATMTDBPDOA-UHFFFAOYSA-N 363.483 2.292 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1nnc2ccccn12 14168787 DKFHXYWTQUNZCA-UHFFFAOYSA-N 363.425 2.336 0 40 FEAB CCOc1ccc2oc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 14200182 NKLZXOQUTMBUJL-GFCCVEGCSA-N 351.424 2.399 0 40 FEAB COCC(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1OC 4732571 KKUCRQXAPXHDNG-UHFFFAOYSA-N 353.382 2.247 0 40 FEAB O=C(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 4741054 JSEJJXXCBOJQHY-UHFFFAOYSA-N 355.799 2.282 0 40 FEAB CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C 5863473 SIARLZRBINNPEN-UHFFFAOYSA-N 351.432 2.039 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(OC)ccc1OC 6913931 XGDPRGOISKDIIC-UHFFFAOYSA-N 357.409 2.353 0 40 FEAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C[C@@H](C)O1 15375809 TYGBJPRPPULCMB-GASCZTMLSA-N 371.437 2.257 0 40 FEAB Cc1nc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 7140137 LLQGWJDKMFEEHE-CYBMUJFWSA-N 371.528 2.010 0 40 FEAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7327541 AFQBEWPTHFDHDA-UHFFFAOYSA-N 361.707 2.238 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC1CCCCC1 28207377 ICXUKKPBJVVSKS-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB NC(=O)NCc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 69008996 DBCJUFMSALVOSU-GOSISDBHSA-N 352.438 2.458 0 40 FEAB Cc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1F 8260231 PLSCUBZFAJCQAK-UHFFFAOYSA-N 353.371 2.017 0 40 FEAB C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccccc1 8311931 MUHJSZSXIZAGRR-SXGZJXTBSA-N 357.454 2.407 0 40 FEAB CCn1c(Cc2ccccc2)nn(CN2CCN(C(C)=O)CC2)c1=S 23995855 KOTLHHRDWUFTDE-UHFFFAOYSA-N 359.499 2.146 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C3CCC3)C[C@@H]1C2 306124510 BSANGJCGIMKUFF-QWHCGFSZSA-N 355.417 2.326 0 40 FEAB O=C(O)[C@@H]1CS[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 64219245 BEQBUZLTZXPWID-DLBZAZTESA-N 355.415 2.458 0 40 FEAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CCCCCC1 408974707 CDVJVEQTGFEZNA-UHFFFAOYSA-N 350.378 2.293 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 72390817 MCTMSMYSOVNEBQ-FZKQIMNGSA-N 370.428 2.392 0 40 FEAB O=C(Nc1cc(Cl)ccc1O)[C@@H]1COCC(=O)N1Cc1ccccc1 70641441 NBLGWKIMBZQKQT-HNNXBMFYSA-N 360.797 2.412 0 40 FEAB COC[C@H](C)NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 45873117 RNCBOHPKOFCCJJ-JTQLQIEISA-N 369.343 2.324 0 40 FEAB COc1cc(OC)cc(OCC(=O)NCCOc2ccccc2OC)c1 224254614 FEGYKHWLMPIDDC-UHFFFAOYSA-N 361.394 2.286 0 40 FEAB Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCc2cccnc2)C1 503844437 WGLWXJAFGZPALI-ICSRJNTNSA-N 353.470 2.124 0 40 FEAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4)CC3)cs2)C1 225464823 LMAAJCQITGOIJL-QGZVFWFLSA-N 373.522 2.193 0 40 FEAB biogenic,in-vitro CC(C)C(NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)C(C)C 225779698 OLMVWPPJPQEEIL-UHFFFAOYSA-N 358.479 2.384 0 40 FEAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 224240794 QRCMLVPSABSSDW-UHFFFAOYSA-N 360.361 2.040 0 40 FEAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccccn3)CC2)C1 96220881 XWNWKQLJIITNOZ-SFHVURJKSA-N 366.465 2.372 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073750 MEWUPKFFARRCPN-LIRRHRJNSA-N 358.417 2.435 0 40 FEAB CN1CCN(c2ccc(F)cc2C(=O)NCc2cnn3ccccc23)CC1 585082312 ARLFMAKCNFCQCY-UHFFFAOYSA-N 367.428 2.155 0 40 FEAB Cc1ccc2nccc(N3CCC(n4cnc(C(N)=O)c4N)CC3)c2c1 585085242 LMYWUGQWDRVLEV-UHFFFAOYSA-N 350.426 2.262 0 40 FEAB O=C(NC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1)c1ccsc1 247469495 DXQXAGZLVGMGTB-INIZCTEOSA-N 367.478 2.402 0 40 FEAB COc1cc(N2CC3(C[C@@H](OCc4cccc(C)n4)CCO3)C2)ncn1 247863457 HGPCUJMIUFZZBN-INIZCTEOSA-N 356.426 2.143 0 40 FEAB Cc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257316067 VDZALOOYFPCIIP-OWCLPIDISA-N 358.467 2.296 0 40 FEAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cccs3)cn2)CC1 257266702 MECOHQQUVRPMBV-UHFFFAOYSA-N 358.467 2.269 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCc1c(C)noc1C 257208709 BNINUJVQGGKUBL-MRXNPFEDSA-N 358.442 2.183 0 40 FEAB NCc1cn(-c2ccccc2C(=O)NCCOc2ccc(F)cc2)cn1 257212484 CDRAMPYRVFFZMN-UHFFFAOYSA-N 354.385 2.279 0 40 FEAB O=C([C@H]1CCCCO1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257326992 WZKGDXGHQCHCOI-OAHLLOKOSA-N 368.441 2.285 0 40 FEAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCn1cc(-c2ccccc2)nn1 1648887692 BCAKFGJDLQHVQH-UHFFFAOYSA-N 364.331 2.425 0 40 FEAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CC1=O 653196848 BRYCFBHXSJYNAQ-DBSRCYSRSA-N 355.482 2.184 0 40 FEAB Cc1cccc(-n2cnc3cc(C(=O)N4CCOC[C@H]4C(=O)O)ccc32)c1 659126446 HIABBEZRZMATFH-SFHVURJKSA-N 365.389 2.260 0 40 FEAB COc1ccc(C(=O)N(C)Cc2nnc3n2CCOCC3)cc1C1CC1 1615545603 BMWHXVQLLJROEG-UHFFFAOYSA-N 356.426 2.009 0 40 FEAB O=C(COc1ccccc1F)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365539 UZTPGTPROOZWBS-HNNXBMFYSA-N 363.410 2.279 0 40 FEAB Cc1cc(C(=O)N2CC(F)(F)C[C@@]3(CCN(CC4CC4)C3=O)C2)no1 585093197 IWFKIMXHTZJSHJ-INIZCTEOSA-N 353.369 2.093 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 56201282 ZQYFGDXKQPPWDI-ZIAGYGMSSA-N 356.426 2.155 0 40 FEAB NC(=O)C1CCC(CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 75104414 NTKVJQDIESGSSP-JMLCCBQJSA-N 360.454 2.266 0 40 FEAB Cn1c(CN(CCc2ccccc2)c2ccc(O)cc2)cc(=O)n(C)c1=O 81015576 GVGFPBMHMLVJKX-UHFFFAOYSA-N 365.433 2.039 0 40 FEAB O=C1NC2(CCN(C(=O)CSc3ccncc3)CC2)Oc2ccccc21 12117939 HVNMLUSGKBQSGR-UHFFFAOYSA-N 369.446 2.315 0 40 FEAB c1csc(-c2nc(NC[C@@H]3COCCO3)ncc2-c2cnccn2)c1 12186293 SALDYAQBQKYZEY-GFCCVEGCSA-N 355.423 2.489 0 40 FEAB O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2 12365193 DWTFKHXQRBNBRB-SOSAQKQKSA-N 351.859 2.271 0 40 FEAB COc1ccc(C(=O)NCN2CCN(c3ccccc3)CC2)cc1OC 12371200 NLIFIKZJGHPTLC-UHFFFAOYSA-N 355.438 2.213 0 40 FEAB biogenic,in-vitro O=C(O)C1CCN([C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 18063865 XODUKWNSIFACGY-ZDUSSCGKSA-N 371.220 2.422 0 40 FEAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)CCc3ccncc3)cc2)C1=O 19460171 LGTXMDNFQFRTKU-UHFFFAOYSA-N 366.421 2.483 0 40 FEAB COCCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@]2(CCCCC(=O)N2)C1 19593217 DBRVBVWBGNASJT-FXAWDEMLSA-N 360.454 2.087 0 40 FEAB CN(C)c1nc2ccc(NC(=O)c3cncc(N4CCCC4=O)c3)cc2[nH]1 626690176 VMOCLVGCSJESAT-UHFFFAOYSA-N 364.409 2.403 0 40 FEAB CCN1C(=O)NC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1=O 11612485 XRSUIBYRSLVYJT-UHFFFAOYSA-N 369.343 2.252 0 40 FEAB CCCO[C@@H]1CCCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CC1 654636793 AOIOLCFSDFYSNT-ZIAGYGMSSA-N 351.451 2.147 0 40 FEAB Cc1nc(C2CC2)nc(N2CCN(c3nccn4nccc34)CC2)c1F 1888897177 CTRGHHWNVAENES-UHFFFAOYSA-N 353.405 2.171 0 40 FEAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)c3ccc(F)cc3)[C@@H]2CN1 2037984692 KMDLMMWETAYMAW-ZHALLVOQSA-N 372.371 2.088 0 40 FEAB CC(=O)N1CCCCN(Cc2cn(C)cn2)CCOc2ccccc2C1 2037985495 LPHRRMKKRHRRLX-UHFFFAOYSA-N 356.470 2.443 0 40 FEAB CCOC(=O)[C@@H](C)Sc1ncnc2c1nnn2-c1ccc(OC)cc1 4166786 VPWSRFDJZBMHPU-SNVBAGLBSA-N 359.411 2.263 0 40 FEAB COc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)c1 5257384 JXENIRVVDQGBFP-UHFFFAOYSA-N 369.450 2.322 0 40 FEAB O=C(COc1ccccc1F)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714664 UNRNALJLILOEFG-UHFFFAOYSA-N 372.396 2.245 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414948 SYWXZZOZHLHXFN-QGZVFWFLSA-N 362.426 2.152 0 40 FEAB Cc1ccc(=O)n(CC2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1 585503611 UYKWHLQZCASOLD-UHFFFAOYSA-N 363.421 2.047 0 40 FEAB O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 30800305 FMNVJVRXNMKLIA-HNNXBMFYSA-N 368.433 2.380 0 40 FEAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]32)c1 101277780 KHHFFONFXRHVRC-JKSUJKDBSA-N 370.340 2.341 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(Cl)c2c(c1)OCCO2 32930718 FJIPOSUPQDSXSY-UHFFFAOYSA-N 371.784 2.017 0 40 FEAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC(N2CCCCC2)CC1 33171295 GNSJEFLCXZOEEO-UHFFFAOYSA-N 353.470 2.417 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 1576139 RGPFRWHTVUVNAT-CWRNSKLLSA-N 362.426 2.403 0 40 FEAB COC(=O)[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1 22989183 ALAGOJNJHCFFCW-QGZVFWFLSA-N 351.362 2.398 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6224562 XCGFZYMWNVJPSY-LBPRGKRZSA-N 374.890 2.418 0 40 FEAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)NCCOC 6948037 FFMJDERAASVNPI-UHFFFAOYSA-N 362.499 2.328 0 40 FEAB CCOC(=O)C1=C(CSCC(=O)O)N(C)C(=O)N[C@@H]1c1ccccc1 1088941 IECFOEKFGHQGMT-OAHLLOKOSA-N 364.423 2.018 0 40 FEAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(Cc2ccccc2)CC1 25507764 GJLULJIQVCYPGX-APWZRJJASA-N 357.498 2.054 0 40 FEAB COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1 3251218 XBEUNIJKQLJRAG-UHFFFAOYSA-N 370.405 2.012 0 40 FEAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC3)c2c1 57143189 VEPOGNHHJFPDEU-GFCCVEGCSA-N 362.451 2.225 0 40 FEAB Cc1ccc(C(=O)C2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)c(C)c1 26644363 MNXBDALQECMHKV-KRWDZBQOSA-N 358.482 2.445 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)c1nn(-c2ccccc2)cc1OC 44701015 JTCITIBVWZVOHO-UHFFFAOYSA-N 366.377 2.241 0 40 FEAB CSCC[C@@H]1NC(=S)N(Cc2cccc(Cn3cccn3)c2)C1=O 55180294 XOSDCELYDRDMBR-HNNXBMFYSA-N 360.508 2.270 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCn1cnc2ccccc21 58192314 BETHEQOMBVPNQZ-QGZVFWFLSA-N 354.410 2.200 0 40 FEAB COc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102593171 KCGNBHKAVIFZKA-GZXFCSGKSA-N 366.417 2.077 0 40 FEAB CC1CCN(Cc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)CC1 44913806 YMVPZCRIELCLPC-UHFFFAOYSA-N 372.557 2.286 0 40 FEAB COc1cc(/C=c2\sc3nnc(-c4ccccc4)n3c2=O)ccc1O 59488409 YSWWILFJEUALDE-GDNBJRDFSA-N 351.387 2.080 0 40 FEAB CCCCNC(=O)COC(=O)c1ccccc1I 3391285 YKORKTDKBUVGOI-UHFFFAOYSA-N 361.179 2.364 0 40 FEAB O[C@@H](COCc1ccccc1)CN1CCC[C@H]1c1nnc2ccccn12 36489978 KXLZSTJSBZPIRO-MSOLQXFVSA-N 352.438 2.444 0 40 FEAB CCN(c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 10009957 HOZUYRYDXZXQPM-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2nccs2)CC1 10674490 MZEHHVKVGFXNKR-UHFFFAOYSA-N 372.450 2.180 0 40 FEAB NC(=O)C1CCN(C(=O)NCCCCOc2ccc(Cl)cc2)CC1 22427996 YAJCJGRYBBYHNM-UHFFFAOYSA-N 353.850 2.406 0 40 FEAB Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2c(n1)c(C)nn2C 28557481 FZDHVAMCOUTJNJ-UHFFFAOYSA-N 356.474 2.209 0 40 FEAB CC1(C)[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@H]1C(=O)O 71283714 HACVAODTVXIYQS-OLZOCXBDSA-N 371.359 2.106 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 14300735 YOAGKJQOOFSKIF-UHFFFAOYSA-N 355.829 2.434 0 40 FEAB O=C(CNc1ccc(-n2cc(CO)nn2)cc1)Nc1cc(F)ccc1F 96011651 QPWCAMYGXAMRAF-UHFFFAOYSA-N 359.336 2.088 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@@H]1C 5558989 MCVJEKVBLZRASV-GXTWGEPZSA-N 352.456 2.464 0 40 FEAB NC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc2c1CCCC2 6661420 DCJYBZJXEJLESI-UHFFFAOYSA-N 371.462 2.023 0 40 FEAB COc1cc(CNC(=O)c2cnn(-c3ccccc3)n2)cc(OC)c1OC 9390037 MOIWODCIPVIXMM-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB C[C@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3C)o2)cc1 7541003 LKOOUOPFVQXGNT-LBPRGKRZSA-N 359.455 2.405 0 40 FEAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c1 7718449 NKYBNKMYBYGSNF-MRXNPFEDSA-N 363.458 2.323 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c(F)c1 7856437 PAHDZQANWWPCDE-QMMMGPOBSA-N 366.370 2.179 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 16310646 CNAQRWKPJGYUOR-KRWDZBQOSA-N 374.404 2.032 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(C(N)=O)cc2)cc1 16763646 PHFFLEBCKHSXTC-UHFFFAOYSA-N 361.419 2.001 0 40 FEAB C[C@@H]1CCc2c(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)csc2C1 95460080 GPDNSQJTUZPCBB-TYNCELHUSA-N 350.484 2.239 0 40 FEAB COc1ccccc1CNC(=O)CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 18149091 YHBQTIJYAVVCQL-HOTGVXAUSA-N 356.422 2.043 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 18181124 UDOUKIDJQGRULF-UHFFFAOYSA-N 365.389 2.346 0 40 FEAB O=C(O)C[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1cccs1 95989365 OGUJPZNDLXOCQL-AWEZNQCLSA-N 369.402 2.449 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)O 28462707 XIBPGXXACHCKQG-QAGHZCBJSA-N 361.394 2.484 0 40 FEAB CCOC(=O)c1ccc2[nH]c(CSc3nnc(C)n3C)cc(=O)c2c1 21098977 RWBXBHWIXWXYTO-UHFFFAOYSA-N 358.423 2.434 0 40 FEAB CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccco4)C3)nn12 32092334 VYNYIWAEUPGAFN-AWEZNQCLSA-N 368.441 2.374 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 524733263 JYOUOFKZYIEYGT-QFBILLFUSA-N 361.490 2.167 0 40 FEAB O=C(c1cccnc1)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 72354965 GTJOBTAVKDGRHZ-UHFFFAOYSA-N 361.409 2.425 0 40 FEAB Nc1cc(N)nc(SCc2nc(N)c3c4c(sc3n2)CCCC4)n1 31820225 STYLVYMJIDOKFY-UHFFFAOYSA-N 359.484 2.399 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373085 ZIYLVFQQNYTHKO-SJORKVTESA-N 372.513 2.160 0 40 FEAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(C[C@H]2CCCO2)CC1 25764483 NIAPNSAWYBGWMH-RBUKOAKNSA-N 362.514 2.346 0 40 FEAB CC(C)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4ccncc4)cn23)C1 96267455 UMKILYFXAKEQKV-MRXNPFEDSA-N 364.453 2.252 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1 96206703 HBTSZTNKQGBXMC-KRWDZBQOSA-N 356.470 2.421 0 40 FEAB Cc1cc(C(=O)NCCCc2nnc3ccccn23)c2c(C)noc2n1 95478783 KAWGWXRHBCJJKB-UHFFFAOYSA-N 350.382 2.245 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccccn4)C3)C2=O)n1 96048820 QSDZLFCYIQCNIX-NRFANRHFSA-N 364.449 2.440 0 40 FEAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccccc1OCc1nnnn1C 96193039 ZASCTLWJPVWBDP-UHFFFAOYSA-N 369.429 2.436 0 40 FEAB COC[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)CN1Cc1nccs1 96240345 QIVFZBMZJJEXBW-CVEARBPZSA-N 351.516 2.235 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1OC 257249100 JGVDBGJDZPJVPP-APWZRJJASA-N 360.454 2.244 0 40 FEAB CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257340114 ZEPPSDXQBVQLRZ-HBFSDRIKSA-N 357.454 2.172 0 40 FEAB CNc1cc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)nc(C)n1 257304633 SMLRNMVQEZMFOE-KRWDZBQOSA-N 354.458 2.017 0 40 FEAB COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cnc3n[nH]c(C)c3c2)c1 282523642 OWHFAKBZSJKVHK-WMLDXEAASA-N 352.394 2.223 0 40 FEAB Cc1cc([C@H](NS(=O)(=O)c2cn(C(C)C)cn2)C(=O)O)ccc1F 646047839 QJLIHANLRJZAQD-AWEZNQCLSA-N 355.391 2.016 0 40 FEAB N[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)c1ccc(F)cc1F 662794309 MPDWIVPAFFPDNT-GOSISDBHSA-N 360.408 2.392 0 40 FEAB COc1ccc(-n2cnnc2)cc1NC(=O)N(Cc1cnn(C)c1)C1CC1 96167108 SMKOGQWASANBFS-UHFFFAOYSA-N 367.413 2.206 0 40 FEAB Cc1ccccc1C(=O)N1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 585100942 JPDXYTNJETZXFU-FQEVSTJZSA-N 352.438 2.388 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cn3nc(C)cc3C)C2)cc1 585272793 QUOXRBSYJHSCDX-HXUWFJFHSA-N 357.454 2.241 0 40 FEAB CCN(C(=O)c1ccc(S(=O)(=O)NCCOC)cc1)C1CCCC1 47216070 RYVKOEANQWMQRI-UHFFFAOYSA-N 354.472 2.016 0 40 FEAB COc1cc(Cl)ccc1CNC(=O)N1CCN(c2ncccn2)CC1 83923362 MMGQWZWFUVLJDT-UHFFFAOYSA-N 361.833 2.170 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnn3ccccc23)C1 548018018 RZWHBPYRWUGEMU-SFHVURJKSA-N 355.467 2.337 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCC3)nc(O)c2C1 19018058 NJSRYXQEVMFZEB-QGZVFWFLSA-N 372.469 2.331 0 40 FEAB COc1ccccc1CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19569517 FDKVBNUZHGGSOL-UHFFFAOYSA-N 366.465 2.080 0 40 FEAB Cc1cn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc2s1 19717072 ODTVFIUIZFATPO-UHFFFAOYSA-N 361.398 2.402 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O 6326335 WTQNLKMZAUSCCE-MDWZMJQESA-N 359.359 2.392 0 40 FEAB C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(N)=O 5362627 CJSVBUBJDURPAR-LBPRGKRZSA-N 363.462 2.358 0 40 FEAB COC(=O)c1ccc(CNC(=O)COc2ccc(C(C)=O)cc2OC)cc1 5440186 JMJQYNNGNAUDRR-UHFFFAOYSA-N 371.389 2.380 0 40 FEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1noc2c1CCCC2 1888890177 PWHOTJNEXJQENN-MRXNPFEDSA-N 352.394 2.203 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 6321448 CVRNTEBBAAFMFS-UHFFFAOYSA-N 355.213 2.349 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)NC[C@H]3CCCO3)C[C@H]2c2ccccc2)n1 238879410 OWMJPXJVHQSODV-IXDOHACOSA-N 356.426 2.450 0 40 FEAB Cc1cc2c(cc1CN1CC[C@]3(COCC(=O)N(C(C)C)C3)C1)OCO2 2037983647 BGFLMDQSYDVEOX-FQEVSTJZSA-N 360.454 2.183 0 40 FEAB COc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1 3911761 MYKGRTSYDNPXET-UHFFFAOYSA-N 352.390 2.274 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1C 5241915 PQJNEHBNQARJPC-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9035636 JPLXDSAFWQGDFV-HNNXBMFYSA-N 374.462 2.335 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cccnc2)C1 2055751176 PHWLVLZUUUVNAH-NRFANRHFSA-N 368.481 2.291 0 40 FEAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)cc(=O)o1 206968498 PJROAJBGLOMPLT-LBPRGKRZSA-N 369.826 2.444 0 40 FEAB O=C(Cn1cnc2ccccc21)N1CC(c2nc(-c3ccncc3)no2)C1 49481671 AYCPJZLHFVJNFD-UHFFFAOYSA-N 360.377 2.107 0 40 FEAB COCc1noc([C@H]2CCCCN2CC(=O)NCCc2ccccc2)n1 72329922 GZSVXEWGPYJMAY-MRXNPFEDSA-N 358.442 2.102 0 40 FEAB COc1ccc(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cc1 75172202 WZVXVVINSMLRQB-UHFFFAOYSA-N 351.410 2.047 0 40 FEAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 32620391 JTDOMGJGEXNXKB-LBPRGKRZSA-N 351.453 2.183 0 40 FEAB CN(C)[C@@H](CNc1c(NCc2ccncc2)c(=O)c1=O)c1ccccc1 101693084 BMNGMECZQRKHKC-INIZCTEOSA-N 350.422 2.005 0 40 FEAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(OC)c1 691907 VSIGDBRVRKKREB-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(C)=O)cc1 100395366 FVFJOIYTKDVNGT-MJJLTSLDSA-N 366.417 2.059 0 40 FEAB Cc1ncccc1C(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119204 ZUDUTHMORXJNFY-HUUCEWRRSA-N 360.417 2.329 0 40 FEAB CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc(OC)c(OC)c2)c1C 1427196 BZLPFRBBBRLTIU-UHFFFAOYSA-N 361.398 2.333 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 1813389 JEGDHORTBVGJMP-UHFFFAOYSA-N 358.394 2.010 0 40 FEAB biogenic CCN(c1cccnc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 57875310 XWJYGTLRSFMJEL-UHFFFAOYSA-N 354.453 2.009 0 40 FEAB NC(=O)Nc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12777238 STTHHAYIRIMZQW-UHFFFAOYSA-N 352.394 2.456 0 40 FEAB COC[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 27472078 FBAAONIXOIREFR-JTQLQIEISA-N 369.343 2.324 0 40 FEAB COC(=O)Cn1c(SCCOC(C)(C)C)nc2ccccc2c1=O 58224565 SLXQAERKDFCNRM-UHFFFAOYSA-N 350.440 2.477 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)CC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 58406057 MPIKDFKIPXXZFS-CAPWYDJASA-N 356.532 2.489 0 40 FEAB CCn1c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2)c2ccccc21 27083378 BIOSPTIOZKUQII-UHFFFAOYSA-N 353.422 2.490 0 40 FEAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C2CC2)CC1 48374423 XDPGDMOBUHWBEI-IBGZPJMESA-N 357.498 2.446 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(OC(F)F)cc1 12807779 YJXIBSYTMLBOHW-SNVBAGLBSA-N 352.389 2.314 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 10661986 HPXTVYREFFSKNC-UHFFFAOYSA-N 356.513 2.171 0 40 FEAB COC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2ccco2)cc1)C(F)(F)F 2311520 FRBNLYWPQRQFRP-HNNXBMFYSA-N 357.284 2.479 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F 12905275 AULIUQIGRSUCCM-SNVBAGLBSA-N 374.395 2.412 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 12997030 UNCFSCGJOPWBSE-NSHDSACASA-N 354.453 2.314 0 40 FEAB COc1ccc([C@H](C)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 20041408 WMUDIVCQTNKERM-RRQGHBQHSA-N 356.422 2.214 0 40 FEAB C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C(N)=O 4454279 JOFGYJFEHAJRNM-SNVBAGLBSA-N 368.418 2.141 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cccs1 14095998 SVJAVQCOVGPFDD-UHFFFAOYSA-N 355.393 2.322 0 40 FEAB COc1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cn1 96001069 FPOOHPGYRFURBG-OAHLLOKOSA-N 366.377 2.354 0 40 FEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccncc2)c(=O)[nH]c1=O 14200225 BCQRIPJNHRIVJU-UHFFFAOYSA-N 373.457 2.007 0 40 FEAB O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)C1CC1 19819472 KSQXCGVTPCDGKM-UHFFFAOYSA-N 363.417 2.354 0 40 FEAB COc1cc(CNC(=O)CN2CCc3ccccc32)cc(OC)c1OC 7348539 LQZJRLVQOJIYKM-UHFFFAOYSA-N 356.422 2.391 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccc(C)c2N)c1 7306707 KJQGAZAEMRCDFG-UHFFFAOYSA-N 356.378 2.468 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c1=O 7364886 CHMNETJIQKDJLC-JTQLQIEISA-N 366.443 2.118 0 40 FEAB O=C(COC(=O)c1cc(F)ccc1Br)NC[C@H]1CCCO1 7867318 PNIVEYZQFFNUCE-SNVBAGLBSA-N 360.179 2.040 0 40 FEAB CC[C@H](C)C(=O)NCC(=O)N1CCCN(CCCc2ccccc2)CC1 70012619 MMQUQPIHRRYECB-SFHVURJKSA-N 359.514 2.316 0 40 FEAB CCCOc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1 21596162 IPHPWVCSFNCXQG-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB Cc1cc(C[C@H](C)NC(=O)c2cnc(-c3csc(C)n3)nc2O)[nH]n1 91636007 SXYYOVSGTIUNTH-QMMMGPOBSA-N 358.427 2.007 0 40 FEAB CCONC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 17821424 FFRYCXNHUOVLMC-UHFFFAOYSA-N 360.435 2.115 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 8754109 DRBINRWHZUGSHD-CRAIPNDOSA-N 370.449 2.472 0 40 FEAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 8776992 WMXDKIUZDMTJSD-GFCCVEGCSA-N 352.847 2.175 0 40 FEAB Cc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)N(C)c4ccccc42)N(C)C3=O)c(O)c1 8845752 IAYCUTOIWLPXPX-NRFANRHFSA-N 374.400 2.396 0 40 FEAB C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1sccc1C(N)=O 8878509 NFOWQIDCVLXPFM-ZETCQYMHSA-N 367.814 2.267 0 40 FEAB CC(C)[C@H](CCO)NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 76069853 DFLKMFWXOAOHNN-LBPRGKRZSA-N 350.387 2.211 0 40 FEAB CCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(OC)cc1 67245762 DKQVTYMJJSJTHQ-UHFFFAOYSA-N 357.410 2.266 0 40 FEAB CN(Cc1ccc(Cl)cc1)C(=O)CCn1nnc2ccccc2c1=O 24666577 FLAQGNMBLSEVGL-UHFFFAOYSA-N 356.813 2.494 0 40 FEAB CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cn2ccccc2n1 548345138 MFIAYLIEWJJTLM-HNAYVOBHSA-N 366.469 2.223 0 40 FEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCC(C)C)cc1 408596802 SGVRMTLKTXXMKA-AWEZNQCLSA-N 356.488 2.160 0 40 FEAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@H]1C2 408549368 YIYZWFWNEVEOQG-BQFCYCMXSA-N 356.466 2.410 0 40 FEAB COc1cccc(Oc2ccc(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)nc2)c1 517858074 CRMFZQUREKXWMK-MLGOLLRUSA-N 355.394 2.279 0 40 FEAB O=C(c1cnc(O)c2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524731072 JJPBAEKSYJGZFS-QWQRMKEZSA-N 365.433 2.413 0 40 FEAB biogenic NC(=O)c1cn(CC(=O)N2CCCCC[C@H]2c2ncon2)c2ccccc12 527056308 PCNCPDHVLYMOGW-INIZCTEOSA-N 367.409 2.267 0 40 FEAB O=C(c1cc([C@H]2CCCCN2Cc2cccnc2)n[nH]1)N1CCOCC1 72380498 COUIXUYZTWVOPV-GOSISDBHSA-N 355.442 2.004 0 40 FEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217515622 WKWJBJBAGHTHMB-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)[C@H]2CCCO2)n1 72352088 BIIOMDIOKBHRLT-QGZVFWFLSA-N 372.400 2.014 0 40 FEAB C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)CCc1ccccc1 222764688 MQYGQRVUOWVXSI-QGZVFWFLSA-N 354.450 2.145 0 40 FEAB CCNC(=S)Nc1nc(OC)cc(N2CCN(c3ccccc3)CC2)n1 225881323 FSEKLXWXEFJXHU-UHFFFAOYSA-N 372.498 2.118 0 40 FEAB COc1ccccc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O 223821374 ACRJAXOCIDIHJY-UHFFFAOYSA-N 354.472 2.158 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N2CCS/C2=C/c2cccs2)CC1 225232665 GFFBXEMLVCAVOU-SDNWHVSQSA-N 372.537 2.294 0 40 FEAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 331796220 IQYXPNFCOJZSGN-ATZDWAIDSA-N 372.513 2.426 0 40 FEAB O=C(NCc1ccccc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240930 VWHZUHWAUJYJMC-SFHVURJKSA-N 371.481 2.247 0 40 FEAB O=C(c1ccc(Cl)cc1-n1ncnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 94993202 IMGNKRAOCHNISB-SJKOYZFVSA-N 361.833 2.083 0 40 FEAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccccc1F)C2 96218816 KPCGULVZUKQGDQ-OXQOHEQNSA-N 355.413 2.238 0 40 FEAB COCC(=O)N1CC[C@H]2OCCC[C@]2(COCc2csc(C)n2)C1 96040157 NPXLNQUAROLIAI-NVXWUHKLSA-N 354.472 2.012 0 40 FEAB CC(C)(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)s1 333714694 GZXNRASZDCVFGK-YPMHNXCESA-N 357.497 2.074 0 40 FEAB CC(C)n1cc(C2=CCCN(C(=O)Nc3cnc(N(C)C)nc3)CC2)nn1 580875907 CGQBHXDBLQALOY-UHFFFAOYSA-N 370.461 2.426 0 40 FEAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)C1CC1 585085701 RDOOFWPHVGWWGF-KRWDZBQOSA-N 359.451 2.369 0 40 FEAB O=C([C@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239074 RGOIBWNBJIBAQX-CRAIPNDOSA-N 350.365 2.099 0 40 FEAB CN(Cc1cn2c(n1)CN(C(=O)c1ccccn1)CC2)Cc1ccco1 96059534 IHZALBGDGAPRDK-UHFFFAOYSA-N 351.410 2.159 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)cn1 257245482 IPRSXYZGIDLXCS-ZDUSSCGKSA-N 352.398 2.176 0 40 FEAB O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc(-c3ccc(F)cc3)nn12 254293611 YIZWROATDPUJEO-UHFFFAOYSA-N 368.349 2.413 0 40 FEAB COc1ccc(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCCC[C@H]2[C@]4(C)C3)cn1 257237344 HGBDWDMLPXZZFS-PFRQMTDMSA-N 357.454 2.484 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccco1)N1CCCCC1 284963776 KINBRAVZVDASAQ-JFIYKMOQSA-N 372.469 2.434 0 40 FEAB O=C(O)[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)[C@@H]1CCCO1 630424713 XWOMYZSPRLXXBU-IRXDYDNUSA-N 361.419 2.264 0 40 FEAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(S(N)(=O)=O)o1 298885089 VKUWPFIUTVMIQK-CYBMUJFWSA-N 351.428 2.023 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)cc1 585112019 HDEKVMFNUCAIHM-GOSISDBHSA-N 374.510 2.220 0 40 FEAB CN(C)S(=O)(=O)c1cc(C(=O)OCC2CC2)ccc1Br 48868031 BZIKRHJOTXLLDP-UHFFFAOYSA-N 362.245 2.266 0 40 FEAB COc1ccc([C@H](NC(=O)Cn2cnc3ncccc3c2=O)C2CC2)cc1 73697923 CVALMRSUCRANOQ-GOSISDBHSA-N 364.405 2.068 0 40 FEAB O=C(O[C@H]1CO[C@H](F)[C@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5664891 MXKSZVULZXDWHM-HZMVEIRTSA-N 360.337 2.124 0 40 FEAB CCn1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)OC)C2)c(C)n1 12143313 HAMGTAOZJGHXIL-SJORKVTESA-N 359.401 2.379 0 40 FEAB Cc1cnc(-c2nc(C3CCN(C(=O)c4ccccn4)CC3)no2)cn1 13227828 CPQUIMGLPKVWSH-UHFFFAOYSA-N 350.382 2.250 0 40 FEAB Cc1cc(C)cc(NC(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1 13700452 KFIDDUBKOHCGPU-UHFFFAOYSA-N 365.441 2.404 0 40 FEAB CCc1cccc(C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)n1 562545293 RALFZQAOSMEUKP-GOSISDBHSA-N 363.421 2.438 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 17321785 HBPUGQRACFAWHA-CQSZACIVSA-N 364.511 2.491 0 40 FEAB NC[C@@H]1CC[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C1 583074416 RLZNKLJRKQHDOQ-RISCZKNCSA-N 368.275 2.481 0 40 FEAB O=C(c1cn[nH]c1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888849689 JORHQGJOSVFHBG-RYUDHWBXSA-N 351.332 2.032 0 40 FEAB Cc1cc(C)nc(N2C[C@H]3CN(c4nc(O)c(F)c(C(C)C)n4)C[C@H]3C2)n1 2086946002 LDPVHWMHTURQSW-OKILXGFUSA-N 372.448 2.424 0 40 FEAB CN(C1CCN(c2ccncc2Br)CC1)S(=O)(=O)C1CC1 2086967258 YEFGWEXTNCPRDN-UHFFFAOYSA-N 374.304 2.237 0 40 FEAB CCc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 5241919 JMCCNTZERIQBPH-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB CO[C@@H]1CC2(CCN(C(=O)CCS(C)(=O)=O)CC2)c2cc(C)ccc21 2055812455 BPIWMNLGFFGXRB-QGZVFWFLSA-N 365.495 2.381 0 40 FEAB Cc1cc2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)nccn2n1 1775976298 YDLXGSCLVQXJLD-UHFFFAOYSA-N 356.451 2.480 0 40 FEAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(F)c(Cl)c1 90610630 LUWQTNZUVXLYMX-HNNXBMFYSA-N 371.817 2.426 0 40 FEAB O[C@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 33435655 QPLFQOXJGCNJOW-GOSISDBHSA-N 358.413 2.453 0 40 FEAB CC(C)CCN/C(N)=N/CCNC(=O)c1ccc(Br)cc1 104176720 LFKVYVXKMHTGIS-UHFFFAOYSA-N 355.280 2.129 0 40 FEAB COc1cccc([C@H](CNC(=O)c2cccc(C(N)=O)c2)N2CCCC2)c1 23081399 OBGDKGRELDWPHP-IBGZPJMESA-N 367.449 2.361 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680802 AWYHJGQSTNPYLI-ZDUSSCGKSA-N 372.512 2.222 0 40 FEAB COc1ccc(Oc2cc(N[C@H](C)C(=O)NC(N)=O)ccc2OC)cc1 23626860 YKYCJTGKNNFVQO-LLVKDONJSA-N 359.382 2.491 0 40 FEAB COc1cccc(CNS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1 23993981 GDNYHSFKVXNMNK-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 12533741 YWILISLEKCXBRP-HNNXBMFYSA-N 354.406 2.286 0 40 FEAB CCOc1ccc(C(=O)Nc2c(C)nc3ncnn3c2O)cc1OCC 9605970 WSEYCFRTHRBUAY-UHFFFAOYSA-N 357.370 2.188 0 40 FEAB biogenic,in-vitro CCCCCNC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48290245 KSJWRGVZTHANSC-UHFFFAOYSA-N 362.499 2.274 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102574493 QIXLOBSYAGYSSQ-MELADBBJSA-N 370.405 2.060 0 40 FEAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N2CCCC[C@@H]2C)c1=O 57486045 CMLSMJKGJWRHRN-ZDUSSCGKSA-N 363.483 2.282 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1nc2nccc(C)n2n1)c1ccccc1 27087539 FCOATCGGUPCLBR-MRXNPFEDSA-N 352.442 2.246 0 40 FEAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCO[C@@H](Cc2ccccc2)C1 179672806 SXWIDEKSPBVCRT-MOPGFXCFSA-N 366.465 2.313 0 40 FEAB COC(=O)N(C)C[C@@]12C=C[C@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 100351620 IBKPNFIXWNBGMR-IMTBSYHQSA-N 363.024 2.309 0 40 FEAB O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 58197411 YFORDCOPHLUJGF-LJQANCHMSA-N 352.434 2.415 0 40 FEAB C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@@H](CCO)c1ccccc1 97164808 AUIZEZYAVDXLJZ-CJNGLKHVSA-N 356.426 2.033 0 40 FEAB CCOC(=O)c1cc2cc(NC(=O)C(=O)NCc3cc[nH]n3)ccc2s1 58225882 WTKCIAUFORDCSO-UHFFFAOYSA-N 372.406 2.056 0 40 FEAB CC(=O)N[C@@H](CC(=O)O[C@H](C(N)=O)c1ccccc1)c1ccc(C)cc1 10375043 KIMHROCFIVMRQM-HKUYNNGSSA-N 354.406 2.332 0 40 FEAB O=C(CCCNC(=O)NC1CCCCC1)NC1CCC2(CC1)OCCO2 48368495 LHWZRRWYJYAJGZ-UHFFFAOYSA-N 367.490 2.200 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1C 22247296 LFZLZCRIFAAXHU-INIZCTEOSA-N 363.435 2.368 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(OC)c1 101113680 DJYTZIWWJJRBJQ-OQKWZONESA-N 368.393 2.117 0 40 FEAB NC(=O)c1cn(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc12 48309774 TZHGHXGGKQLCSI-LJQANCHMSA-N 363.417 2.340 0 40 FEAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)N1CCc2ccccc21 11308641 MTRQFEUZCPCAMY-LBPRGKRZSA-N 355.423 2.384 0 40 FEAB O=C(CS(=O)(=O)c1ccc(Br)s1)NCc1ccco1 11666511 PUTOGWHOMLFQQN-UHFFFAOYSA-N 364.242 2.194 0 40 FEAB CCOc1ccc(CC(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc1 10475957 QETCMBZLPSYOFZ-UDWIEESQSA-N 356.378 2.242 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)c1 12917016 MFQSMMMAJLHJMW-CYBMUJFWSA-N 362.451 2.403 0 40 FEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1cc(F)cc(F)c1 13000629 OWJKRHDVVYIXIP-UHFFFAOYSA-N 365.405 2.423 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCc1ccccc1)C2=O 13061849 GBYCIIGTLBMCSR-MGPUTAFESA-N 357.454 2.236 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Br)cc1 97230315 DFKLMNPQPLXLDE-GJZGRUSLSA-N 355.276 2.425 0 40 FEAB O=C1N[C@H](c2ccncc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140099 LOIPLWAYKJCXIZ-WOSRLPQWSA-N 365.311 2.186 0 40 FEAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccs1 13691097 MAOQOHBUSPRSNQ-UHFFFAOYSA-N 351.391 2.100 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)CS2 9218550 QYFGBOYSXRMPFW-HNNXBMFYSA-N 370.430 2.245 0 40 FEAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)n1nnc2ccccc2c1=O 5267794 QFPCWZWZLVEDIR-OAHLLOKOSA-N 368.393 2.399 0 40 FEAB CC(C)CCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408592723 OFLJWOPTQCCHCR-AWEZNQCLSA-N 356.488 2.303 0 40 FEAB COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)CC(C)(C)C 95394073 PPIXWYAMZUADTR-UHFFFAOYSA-N 370.396 2.019 0 40 FEAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 6842829 XBAVTUNPFBAQGF-INIZCTEOSA-N 362.821 2.094 0 40 FEAB Cc1occc1-c1nnc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)n1C 4948126 IPBJFMVIDJMAGK-GHMZBOCLSA-N 350.444 2.111 0 40 FEAB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1C1CC1 7563015 KLFFBEBGNRNECV-UHFFFAOYSA-N 353.382 2.226 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2=O)cc1 16595947 YALNUSLAPPIGMH-SFHVURJKSA-N 366.417 2.328 0 40 FEAB O=C(CSc1nnnn1Cc1cccs1)N1CCc2ccccc21 8074206 BDXNLHBZKRSLFM-UHFFFAOYSA-N 357.464 2.464 0 40 FEAB COc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)NC1CC1 8429847 YMGBXKWOOOGIDR-UHFFFAOYSA-N 372.446 2.339 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 9724701 UGSCITFKZHFECA-ZDUSSCGKSA-N 370.430 2.199 0 40 FEAB CC(C)[C@@H](C(=O)N[C@@H]1CCCCNC1=O)n1cnc2cc(F)c(F)cc21 95957126 BLBBADHGXKFEBL-CJNGLKHVSA-N 364.396 2.297 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 552449552 HGGMNPTWXCFPMG-IAGOWNOFSA-N 370.474 2.299 0 40 FEAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nnn(C)n2)c1Cl 408629161 MZTUKNLUSWSEBR-UHFFFAOYSA-N 364.620 2.805 0 40 FEAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1 408612488 WDZUWQUBOSETJJ-SFHVURJKSA-N 353.422 2.446 0 40 FEAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)N2C=C1 36741116 METCUPCESNKADG-IERDGZPVSA-N 372.513 2.476 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(F)cc2)C1(CO)CO 218549728 UFROXKDZTPJNIG-HOTGVXAUSA-N 370.829 2.390 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCn1cnnn1 524734359 WERKWTOOBQZOQM-INIZCTEOSA-N 354.414 2.137 0 40 FEAB COc1cc(OC)cc(N2C[C@H](C(=O)NCc3cccc(C)n3)CC2=O)c1 531219952 SRMLYBBCZHAZTI-CQSZACIVSA-N 369.421 2.077 0 40 FEAB O=C(C1CCOCC1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72378047 DZNAWSAQSLUJCG-INIZCTEOSA-N 368.441 2.490 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 72347648 QCVTZLFJYUZZDY-KRWDZBQOSA-N 369.513 2.390 0 40 FEAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NCc2cccnc2)C1 503844436 WGLWXJAFGZPALI-AZUAARDMSA-N 353.470 2.124 0 40 FEAB COc1ccccc1CCNC(=O)Cn1cnc(-c2cccs2)cc1=O 49028267 FLJMOEHJHHKYST-UHFFFAOYSA-N 369.446 2.339 0 40 FEAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 224002905 CLPHXYBMICUJEV-UHFFFAOYSA-N 363.435 2.432 0 40 FEAB CCN1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)CC1 224871886 XBZGSMIITQPFHE-UHFFFAOYSA-N 373.453 2.456 0 40 FEAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(CCC(C)C)CC[C@@]1(C)O 514289844 JWIPCXFNHZMTOZ-OKZBNKHCSA-N 354.516 2.423 0 40 FEAB biogenic,in-vitro CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 583616312 RCXYCTDBNVDRFW-RDTXWAMCSA-N 357.410 2.275 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96048679 YEEFIMFPPFBUSY-HXUWFJFHSA-N 350.422 2.132 0 40 FEAB CCS(=O)(=O)C(Br)(Br)[C@H](O)C(C)(C)C 96520924 MWFLCVWMKJBIHO-ZCFIWIBFSA-N 352.088 2.272 0 40 FEAB COCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1 96143923 CWYFGOKHCONNLC-RBBKRZOGSA-N 366.461 2.449 0 40 FEAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)n1 248107456 PPECUPBPOOZRFK-QGZVFWFLSA-N 353.422 2.233 0 40 FEAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2cn(C)cn2)n1 257299379 RPUWZFDIUZVCPZ-INIZCTEOSA-N 352.398 2.459 0 40 FEAB O=C1C[C@H](c2noc(C3CCN(CC(F)(F)F)CC3)n2)CN1C1CC1 680757204 QAZUUTZVWVBRSZ-NSHDSACASA-N 358.364 2.290 0 40 FEAB CSc1ccc(O)c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 1627333068 MCTZRIKHYBSMRC-UHFFFAOYSA-N 352.437 2.155 0 40 FEAB Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1nc2ccccc2s1 65407090 MBMOITVDVMQDPY-UHFFFAOYSA-N 356.451 2.288 0 40 FEAB COC[C@@H](C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 668246903 QLZMJNSMLMXIDF-VXGBXAGGSA-N 359.410 2.032 0 40 FEAB O=C(Nc1cc(Br)c[nH]c1=O)c1c[nH]c2ccccc2c1=O 63338210 KJVNSCMUZAZIBZ-UHFFFAOYSA-N 360.167 2.231 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4ccccc4)CC3)C2)cn1 585104791 TWWDYYBBSQZTAS-UHFFFAOYSA-N 352.438 2.235 0 40 FEAB CN1CCC(NCc2noc([C@@H]3CCC(=O)N3Cc3ccccc3)n2)CC1 1775964000 NFWLHMGIFPMWJS-KRWDZBQOSA-N 369.469 2.117 0 40 FEAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c(F)c1 57115947 LVAFHXQRQXHHOL-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB CC[C@H](NS(=O)(=O)c1cccs1)c1ccccc1OCC(=O)NC 56114972 WORSNUXRXYFLRM-ZDUSSCGKSA-N 368.480 2.303 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccc(Cl)c4Cl)C(=O)[C@@H]13)O2 100018576 RRDTTXDOBVEPKD-PVTKRXDGSA-N 354.189 2.360 0 40 FEAB COc1cc(CN[C@H]2COc3ccccc32)cc(Cl)c1OCC(N)=O 105468483 JOTJFYNZMHKMFC-AWEZNQCLSA-N 362.813 2.436 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2CC1(O)CCCCCC1 1615190324 BALPIDZQBZKIHW-IAGOWNOFSA-N 358.548 2.350 0 40 FEAB CC[C@@H](C)NC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 5059036 TYMHCEGXFWXOQX-SECBINFHSA-N 360.805 2.157 0 40 FEAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 5212611 ZQQKPCDGSCJFQB-CYBMUJFWSA-N 374.824 2.490 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12158147 KITHXIVCCQPQKQ-INIZCTEOSA-N 373.478 2.389 0 40 FEAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3ccccn3)n2)cc1 12182858 ZXIFKCSOEXHSPS-AWEZNQCLSA-N 364.405 2.132 0 40 FEAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N(C)C)C1=O 12241931 ZIQUAEMMKSWKCE-AWEZNQCLSA-N 356.378 2.103 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cccc(F)c1F)CC2 19292758 INMUZGGRQRUUDJ-UHFFFAOYSA-N 360.408 2.249 0 40 FEAB CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1 19453017 PRWHEKCEIOKPQO-CQSZACIVSA-N 371.441 2.060 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2nccs2)c(=O)n1 19572369 SSBBEZYGBDVGGR-AWEZNQCLSA-N 374.491 2.478 0 40 FEAB CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)C(C)C)CC2)cc(C)n1 19698273 RMKOBPOGGVWHGI-IBGZPJMESA-N 358.486 2.378 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C(C)C)nc(N(C)C)c2C1 19711580 GKGIZNTWJWGOFR-QGZVFWFLSA-N 373.501 2.157 0 40 FEAB CCCN1C(=O)NC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)C1=O 17271822 KKLMZDDWTVZEIX-UHFFFAOYSA-N 360.414 2.024 0 40 FEAB CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)N2CCN(C)CC2)c1=O 22697116 MRGTYLVJNFMAEY-IBGZPJMESA-N 359.445 2.358 0 40 FEAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(OC4CCCC4)nc3)C2)nn1 1888856641 PBOGXRQKQRMFDA-UHFFFAOYSA-N 367.453 2.462 0 40 FEAB Cc1ncnc(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1F 1888864159 BOKWEUSAYAFRTQ-UHFFFAOYSA-N 364.808 2.305 0 40 FEAB O=c1c2ncccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccncc1 9001659 YGALUJAICAVFRO-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB O=C(NCCOc1ccccc1)NC[C@H](OCCO)c1ccsc1 575619508 GIVUIXHBXSRIJK-INIZCTEOSA-N 350.440 2.176 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)Cc3cn4ccsc4n3)n2)c[nH]1 40050147 YYWPJORHEITUOO-UHFFFAOYSA-N 372.435 2.128 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 40050658 DIVLRMLDBMEYJP-UHFFFAOYSA-N 366.270 2.493 0 40 FEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 51279382 KUDQEJCDEPGCGX-KGLIPLIRSA-N 363.433 2.293 0 40 FEAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NC(C)(C)C)ncn3n2)c1 51317082 GAAXMBPIRHDZLJ-UHFFFAOYSA-N 353.426 2.090 0 40 FEAB O=S(=O)(Nc1cccc(-n2cnnc2)c1)c1ccc2c(c1)OCCCO2 32096723 JRGNGBDMMIOTCX-UHFFFAOYSA-N 372.406 2.229 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)NCc1ccco1 20794929 MFGSCCWCMOJLPZ-HXUWFJFHSA-N 367.405 2.070 0 40 FEAB CCn1nccc1[C@@H](C)NC(=O)c1cc2ncc(Br)cn2n1 2808997 NKLRHZVNNVXPTB-SECBINFHSA-N 363.219 2.199 0 40 FEAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789604 TWRMHIZOLZBQLR-UHFFFAOYSA-N 358.463 2.404 0 40 FEAB Cc1c(C(=O)NC[C@@H]2CCN(CC(C)C)C2)sc2ncn(C)c(=O)c12 79094165 RVMWXVDOKXHIJW-ZDUSSCGKSA-N 362.499 2.011 0 40 FEAB Cc1cc(N2CCOCC2)nc(SCC(=O)OCc2ccccc2)n1 2710319 DVBVSRHNHAUFRF-UHFFFAOYSA-N 359.451 2.457 0 40 FEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 4308618 ZYAWWPOHXFCIAU-QGZVFWFLSA-N 363.320 2.266 0 40 FEAB CC(C)Cc1nc(N2CCN(C)CC2)c2nnn(Cc3ccccc3)c2n1 4898938 GAJWNGLWYWMMSB-UHFFFAOYSA-N 365.485 2.220 0 40 FEAB O=S(=O)(NNCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 6252202 CIACKRLOZNMXBG-UHFFFAOYSA-N 352.284 2.365 0 40 FEAB O=C(CNC(=O)c1cc(Br)ccc1F)NCc1ccco1 7953371 ZWQGFPFMJCTDGH-UHFFFAOYSA-N 355.163 2.227 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 102662396 AZILDUUYUIDGLK-DACLVMHWSA-N 358.413 2.387 0 40 FEAB O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccncc1 55980256 PTIMGWNFZLXMPM-UHFFFAOYSA-N 369.240 2.398 0 40 FEAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 8237489 FOZPMGKGNGXFKO-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CC(=O)NCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 24929794 OMYNTWIZBUSEJU-UHFFFAOYSA-N 370.434 2.234 0 40 FEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)NC2(CCCC2)C1=O 12508993 DRQFTHQCCJMDOS-UHFFFAOYSA-N 367.808 2.302 0 40 FEAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccs1 25064401 OWFLYQQVCBPSJP-HNNXBMFYSA-N 352.481 2.100 0 40 FEAB Cc1noc([C@H](NCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)n1 95463377 ORBOXIBUZKMODG-CORIIIEPSA-N 351.451 2.069 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)CNc2cccc3c2OCCO3)c1 55893867 VLBWAYXUBOIGHO-UHFFFAOYSA-N 355.394 2.210 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cnccn2)c2ccccn2)CC1 100750315 CZNZQNKFSWOODV-FCEWJHQRSA-N 367.453 2.285 0 40 FEAB O=C(O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 9264499 GSRSOYZLIGAKPR-MDWZMJQESA-N 372.358 2.296 0 40 FEAB COc1ccc(C(=O)NCC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 57182759 FNGRAOUOXSXKGU-UHFFFAOYSA-N 364.405 2.309 0 40 FEAB CN1C(=O)N(C[C@@H](O)COCc2ccccc2F)C(=O)C12CCCCC2 24098414 LVKTUCJWBXOFMO-OAHLLOKOSA-N 364.417 2.300 0 40 FEAB COc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1OC 12786779 PHIUOLSTMKFWDZ-AWEZNQCLSA-N 358.394 2.343 0 40 FEAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 12773881 XGZNOZMEOBKXBF-GJZGRUSLSA-N 353.488 2.088 0 40 FEAB CCO[C@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 58391988 FBPJHTRMBGAPGO-HUUCEWRRSA-N 358.442 2.367 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)C[C@@H](C)CC3 2206027 SLLYULZDFWRAOQ-JTQLQIEISA-N 372.498 2.064 0 40 FEAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 48331794 HTUUACOQAWBUKH-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB CC[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(C)cc1 12870723 JYTCGFYDPBGLSA-QGZVFWFLSA-N 351.410 2.005 0 40 FEAB CN(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 22273522 CRASOPRJJTXDAP-UHFFFAOYSA-N 350.415 2.250 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1OC 3497889 CPRWTGCBUSCUQO-KRWDZBQOSA-N 373.361 2.026 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 3595805 SFCDCHHSPVFQSJ-ORAYPTAESA-N 359.426 2.443 0 40 FEAB O=C1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)c2ccc(F)cc2N1 12915166 KOIPHMLNILYJET-CQSZACIVSA-N 356.353 2.339 0 40 FEAB COCCN(Cc1cccs1)S(=O)(=O)c1cccc(C(=O)O)c1 13093511 ZDUFSHFTAMTPFP-UHFFFAOYSA-N 355.437 2.284 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 13056200 IOMDUXRNTWQOQX-ZIAGYGMSSA-N 367.515 2.162 0 40 FEAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(c2ncccn2)CC1 13655012 ORUOCSOAJAKZSD-UHFFFAOYSA-N 364.409 2.059 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1c(F)cccc1Cl 6120961 AACOPAKVJAAQSC-UHFFFAOYSA-N 373.789 2.492 0 40 FEAB O=S(=O)(N[C@@H]1CCOc2ccccc21)c1ccccc1Cn1cncn1 95465336 YVFSXANOSZUXDD-MRXNPFEDSA-N 370.434 2.129 0 40 FEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 4317876 QQCVJUJBVNBJDV-UHFFFAOYSA-N 371.441 2.104 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 5224042 AGMXQYKTOYVBPF-CPUCHLNUSA-N 364.442 2.272 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 5396396 MMGHXRJBUMJGEC-VIFPVBQESA-N 365.484 2.202 0 40 FEAB COCCNc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)s1 6405231 UDJARPPQRIHBSD-UHFFFAOYSA-N 367.452 2.343 0 40 FEAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3C)c2C)cc1 4807418 PNAJLBNGDURIPW-UHFFFAOYSA-N 357.443 2.052 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 6937567 PQGZFWCKSUORGP-FQEVSTJZSA-N 366.373 2.203 0 40 FEAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@@H]1COc2ccccc2O1 7007718 AZHQYYBSHXMDCE-CYBMUJFWSA-N 374.824 2.416 0 40 FEAB CC(C)CNC(=O)c1nsc(C(=O)NCCc2cccs2)c1N 67334968 DLYTVVDJFJANDH-UHFFFAOYSA-N 352.485 2.145 0 40 FEAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCC4CC4)c3)c2)n1 71768475 ICJMMGAKSXYNOZ-UHFFFAOYSA-N 352.398 2.410 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208037 CDBLOYSTCRPVSH-LLVKDONJSA-N 362.879 2.274 0 40 FEAB OCCn1c(CSc2nnnn2C2CC2)nc2ccc(Cl)cc21 8025859 JHCXBBIIMRPNDB-UHFFFAOYSA-N 350.835 2.296 0 40 FEAB CCc1cnc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 89289678 WEFGUQIYIXIRRK-NSHDSACASA-N 350.419 2.310 0 40 FEAB CCNC(=O)c1ccc(C)c(NC(=O)[C@H](CCSC)NC(=O)CC)c1 75358629 MGVXUDQBRJTMOH-AWEZNQCLSA-N 365.499 2.331 0 40 FEAB CNC(=O)CN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1 25231841 FSWJKBYPBJKJQE-UHFFFAOYSA-N 363.845 2.335 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306133169 MDXRJXKNBJHOKB-KRWDZBQOSA-N 359.470 2.255 0 40 FEAB O=C1NCCCN(Cc2ccc3c(c2)OCCO3)[C@H]1Cc1ccccc1 550226461 AGRDFTWTXNNAQF-SFHVURJKSA-N 352.434 2.391 0 40 FEAB COC(=O)c1ccccc1CC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 540513773 IDVIFBIRUHVMNF-INIZCTEOSA-N 366.417 2.217 0 40 FEAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38753016 YFSPDAUXNUPNRL-MAUKXSAKSA-N 374.462 2.481 0 40 FEAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218101558 RBAFYCGFHZOGBJ-FHWLQOOXSA-N 361.463 2.369 0 40 FEAB O=C(c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n[nH]1)N1CCOCC1 72380543 WIMZZYSZFDPBSV-INIZCTEOSA-N 374.485 2.168 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nc(-c2ccccc2)ccc1=O 44390872 LFYVQUJSDVDFPR-ZDUSSCGKSA-N 362.389 2.209 0 40 FEAB CC(C)[C@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3ccccc3c(=O)n21 49181905 CPKFZDMLHUUGSC-UWJYYQICSA-N 363.417 2.111 0 40 FEAB biogenic,in-vitro CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225610887 KKYORRMQPLVLBT-LJQANCHMSA-N 364.442 2.068 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1F 225094963 BURIDVIEQQQJNG-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB O=C(N[C@@H]1CCc2ccccc21)c1cn(C[C@H](O)c2ccsc2)nn1 225582996 FKYMIVMMUJRIII-WBVHZDCISA-N 354.435 2.491 0 40 FEAB C=CC(=O)NCc1ccc(C(=O)N2CC(=O)N(C)c3ccccc3C2)cc1 1584848280 WDWMJKHGMRNKQS-UHFFFAOYSA-N 363.417 2.108 0 40 FEAB CC(C)c1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222662787 PNGKKRULBUQURB-UHFFFAOYSA-N 371.437 2.333 0 40 FEAB CC1(N2CCOCC2)CCN(C(=O)c2ncsc2C(F)(F)F)CC1 529910837 VZROCRSEWOJBCE-UHFFFAOYSA-N 363.405 2.489 0 40 FEAB CC1(N2CCOCC2)CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1 529912072 GOBWPCQLNCAOBT-UHFFFAOYSA-N 357.376 2.427 0 40 FEAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 223528856 XUNDBIBTJALMTB-SECBINFHSA-N 354.457 2.098 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1C 96261585 XFODERNKZWMJCG-LLGFUMIMSA-N 368.481 2.300 0 40 FEAB Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96040381 AADCZWHOXDNGAO-LPHOPBHVSA-N 357.410 2.468 0 40 FEAB CCC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4C)C[C@@H]32)N1 96261565 DWXYFCAHBSHDKW-GQIGUUNPSA-N 354.454 2.224 0 40 FEAB COC(=O)C[C@@H](c1c(OC)cc(OC)cc1OC)c1c(O)n[nH]c1C 95474562 PXFIOYHHHJPGQG-LLVKDONJSA-N 350.371 2.145 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)CC2CC2)C1 96244544 ILUDAYLRAZNVFQ-HXUWFJFHSA-N 356.470 2.407 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOc2ccc(F)cc2)C1 583618818 PLASWSKEPMHCDO-CVEARBPZSA-N 357.389 2.104 0 40 FEAB CNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96052601 UHVGWXDLMLSVFN-CQSZACIVSA-N 362.495 2.136 0 40 FEAB CCc1ccc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)cc1 96259535 FFIYEWMHAHQCJT-UHFFFAOYSA-N 350.426 2.131 0 40 FEAB Cc1ccc(N2CCCc3sc(C(=O)NCCCN(C)C)nc32)nn1 96062702 SMMNKRZITPYQMY-UHFFFAOYSA-N 360.487 2.007 0 40 FEAB O=C(Cc1ccccc1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247858842 LSXRMPOEEPYHLE-QGZVFWFLSA-N 352.438 2.139 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@H](CNC(=O)c3cccn3C)CO2)C1 248082575 APVRFWOQQBNDCO-MRXNPFEDSA-N 372.469 2.041 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)s1 248128713 XTNFVQYXNLFNER-PKOBYXMFSA-N 366.527 2.139 0 40 FEAB COc1ccc(CCC(=O)N2CCN(C[C@H](O)c3ccco3)CC2)cc1 85436763 JEKRZILGULAQHP-SFHVURJKSA-N 358.438 2.099 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 252516011 PGDFWAUAFWHIDW-ZIFCJYIRSA-N 360.431 2.252 0 40 FEAB COc1ccc(-c2cccc([C@H]3CN(C(=O)CN(C)C)CCO3)n2)cc1 257209684 BRMFKEYRSRFDHP-LJQANCHMSA-N 355.438 2.219 0 40 FEAB COc1ccnc(N2CCN(C(=O)c3nc4cnccc4s3)CC2)c1 668284509 PDXDKLPHYIMCFW-UHFFFAOYSA-N 355.423 2.057 0 40 FEAB O=C1NCCN1C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 96103660 WEOVEFRDRRBNFS-ZDUSSCGKSA-N 358.398 2.021 0 40 FEAB CN1c2ccc(NC(=O)Cc3noc4ccccc34)cc2N(C)S1(=O)=O 390827648 IMIZZTYSQACXQV-UHFFFAOYSA-N 372.406 2.140 0 40 FEAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1cccc(C(=O)O)c1 669505120 GQZIUJNNDNLNPO-AWEZNQCLSA-N 358.398 2.334 0 40 FEAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)[nH]1 585105150 ZQKUUPFGGWDLIN-NVXWUHKLSA-N 360.502 2.461 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccncc2)no1 585094574 CBSJVOMDQQQQCA-QGZVFWFLSA-N 353.426 2.255 0 40 FEAB COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCOC1)CC2 585111162 HHKHEEXSXAVTEQ-INIZCTEOSA-N 355.438 2.118 0 40 FEAB Cc1ccccc1CN(C)C(=O)Cn1nnc(COc2ccccc2)n1 51527881 UHTIYMVWSPRFPB-UHFFFAOYSA-N 351.410 2.219 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn23)C1 12118987 GLTMHXSKMYMFCU-CMPLNLGQSA-N 369.347 2.028 0 40 FEAB O=C(CNC(=O)c1ccco1)Nc1cccc(-c2cn3cccnc3n2)c1 13568836 NDGSXYAUHYIKJN-UHFFFAOYSA-N 361.361 2.358 0 40 FEAB N[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 16696810 IRRZNNXALININJ-FUHWJXTLSA-N 352.390 2.279 0 40 FEAB O=C(c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1)N1CCC(O)CC1 19405225 DLHSPOVLEYLZGD-MRXNPFEDSA-N 370.453 2.046 0 40 FEAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc12 19500304 WGCQJEGZUYZXTQ-QGZVFWFLSA-N 356.514 2.469 0 40 FEAB CC(C)NC(=O)CSc1nnc(Cn2cnc(Cl)c2Cl)o1 2555867 UXTPKYOJPLRCIL-UHFFFAOYSA-N 350.231 2.238 0 40 FEAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3600532 QUPFEOMLVHGCIT-GTNSWQLSSA-N 351.834 2.412 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C2CN(c3ccc(C4CC4)nn3)C2)cc1C 1888879689 YFPHAGXOMQFTOV-UHFFFAOYSA-N 372.494 2.480 0 40 FEAB O=S(=O)(c1cccnc1)N1CC[C@H](Oc2cccc3cccnc23)C1 245026637 NEFKETPPAHOTDK-HNNXBMFYSA-N 355.419 2.472 0 40 FEAB O=C(Cn1ccccc1=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 1141898085 MQGDJKDOBHCINE-UHFFFAOYSA-N 366.396 2.005 0 40 FEAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)CCc1ccc[nH]1)C2 1565555282 WDQDHIOVTYLHOL-UHFFFAOYSA-N 370.453 2.170 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565552757 WCEIUYJOZCLBMV-AZUAARDMSA-N 354.454 2.305 0 40 FEAB Cc1n[nH]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1=O 4248997 QWGJEYHJVPFNAR-UHFFFAOYSA-N 360.317 2.103 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)s1 9573936 BBIUIMYUXSXTBR-UHFFFAOYSA-N 373.467 2.321 0 40 FEAB Cc1cc(S(=O)(=O)N2CCC[C@@H](COc3ncccn3)C2)ccc1F 1775968900 YGGISRMJOBWPCR-CQSZACIVSA-N 365.430 2.404 0 40 FEAB O=C(Cn1cccn1)N1CCc2nc3ncc(Br)cc3cc2C1 2298074386 MJURYWPKBNJQSO-UHFFFAOYSA-N 372.226 2.174 0 40 FEAB C[C@H]1COC[C@H](C)N1CN1C(=O)C(=O)c2cc(Br)ccc21 72422401 ADDSAHPSEUENCH-UWVGGRQHSA-N 353.216 2.045 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 35855710 WNYJHPPZISCSFD-RTBURBONSA-N 357.498 2.291 0 40 FEAB COc1ccc(-c2ccc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 40012150 PIQXLTVOMZJJHC-CQSZACIVSA-N 363.435 2.191 0 40 FEAB O=C(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1 100196581 FSZXCILCDCIPLM-RYUDHWBXSA-N 359.476 2.044 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(F)c(F)c1F 102968272 POZPKYAPUVEODF-UWVGGRQHSA-N 352.312 2.384 0 40 FEAB CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 686568 UQWPUEVHPJDKEJ-UHFFFAOYSA-N 362.451 2.486 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1OC 806114 XNDLYCYDAIQXPE-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB COC(=O)[C@H](C)n1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 958463 MFYROVHOMINIMN-JTQLQIEISA-N 352.412 2.313 0 40 FEAB CN(C=O)c1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 79111085 ZXFFVOFTMVCBOA-UHFFFAOYSA-N 367.430 2.422 0 40 FEAB COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCC1 3505841 LFQGDVGAYOMDRM-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 807257 AYVPONCGJWCREM-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1C 23019460 TXDHAHCPOWZFOQ-UHFFFAOYSA-N 361.423 2.243 0 40 FEAB CC(=O)c1ccc(N2CCN(c3ncnc4c3cnn4C)CC2)c(F)c1 12533070 JBLYIBJPDYCBMK-UHFFFAOYSA-N 354.389 2.032 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6764366 MGMSYISBMQMPMW-NHAYFPRASA-N 350.374 2.200 0 40 FEAB CCOC(=O)C1CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 7766030 RCVZZODSWFEHNA-UHFFFAOYSA-N 365.426 2.057 0 40 FEAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c21 8022121 JYZDSLIOVHQNFI-UHFFFAOYSA-N 361.423 2.244 0 40 FEAB Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c(C)c1 24833662 OGGHESHRLOLIOR-OAHLLOKOSA-N 372.494 2.305 0 40 FEAB CCCCC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 9306699 GHSWGMQDPLXLKZ-LFXFZHITSA-N 373.453 2.354 0 40 FEAB COc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1OC 12608000 HFQXOVWALIGKNY-UHFFFAOYSA-N 367.405 2.120 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)C3CC3)CC2)c1 10082709 QMGJPDZOZSBNFQ-OAHLLOKOSA-N 365.499 2.118 0 40 FEAB CC1CCN([C@H](CNC(=O)c2ccc(=O)n(C)n2)c2cccs2)CC1 27574937 AVWCGHBBRCRHDH-OAHLLOKOSA-N 360.483 2.045 0 40 FEAB Cc1csc(=O)n1CCC(=O)NCCC(=O)N1CCCc2ccccc21 48248671 VEZCSXOJRCBHNR-UHFFFAOYSA-N 373.478 2.094 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(-n3ccnc3)c2)c1C 58170944 VDKAMAVIJJXEIJ-UHFFFAOYSA-N 367.409 2.319 0 40 FEAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)CCC1=O 58111738 VVSRLPKRSQTMDS-UHFFFAOYSA-N 357.332 2.249 0 40 FEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 58182234 HZHIHDCIBKGUJR-INIZCTEOSA-N 365.361 2.432 0 40 FEAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)COc1ccc2c(c1)OCO2 58168992 TXDREEXEQLJRMR-CQSZACIVSA-N 363.797 2.167 0 40 FEAB O=C([C@H]1CN(Cc2cccc(F)c2)c2ccccc2O1)N1CCOCC1 58289544 HLZMOAJCEHSREP-LJQANCHMSA-N 356.397 2.452 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 12792638 IPCOPZDPRDCNMT-LLVKDONJSA-N 359.407 2.149 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)CCNc3ccccc3)CC2)C[C@H](C)O1 58216978 GJTRDBNIBUFJFX-IRXDYDNUSA-N 373.497 2.363 0 40 FEAB CC(C)N(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 58265099 MVTIZSSQJCPEQS-UHFFFAOYSA-N 365.455 2.305 0 40 FEAB CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2113800 VLYUYUFHKXMBBC-OAHLLOKOSA-N 373.405 2.338 0 40 FEAB biogenic C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(-c2ccccc2)c1 58357889 SZFHBKXVEAPLGR-HNNXBMFYSA-N 357.435 2.448 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)CCC(=O)c2cccs2)c1 10547234 GGTFDRXIEDOWMB-UHFFFAOYSA-N 366.464 2.399 0 40 FEAB COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2 11049393 XBPUMWKEPUSZLS-UHFFFAOYSA-N 350.806 2.072 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 21572417 PVABXZKPXLOFNC-UHFFFAOYSA-N 370.405 2.121 0 40 FEAB Cc1cn2c(=O)c(S(=O)(=O)N(C)C3CCCCC3)c(C)nc2s1 20922036 YVESATRRCKNJLB-UHFFFAOYSA-N 355.485 2.326 0 40 FEAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 48310217 JBYLDMNSRCAUQJ-HOTGVXAUSA-N 368.481 2.188 0 40 FEAB N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1 22056148 BBMPHERXUYPXDO-UNMCSNQZSA-N 362.477 2.355 0 40 FEAB in-vitro O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 2634816 PIWUBPBONRAWEK-UHFFFAOYSA-N 373.390 2.063 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3c(C)nn(C)c3C)CC2=O)c(OC)c1 12982532 FKBUKVLVOHTMLS-CYBMUJFWSA-N 372.425 2.046 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 13020451 VSZSWEXAQRSQOO-UHFFFAOYSA-N 350.371 2.440 0 40 FEAB COC(=O)c1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1 13126315 BQCUTDAQLKGVCH-UHFFFAOYSA-N 368.389 2.478 0 40 FEAB O[C@@H](COc1ccc(Br)cc1)CN1CCCN2CCC[C@@H]2C1 64571033 MSTGNFIZWBWADL-HZPDHXFCSA-N 369.303 2.359 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 13690282 ISSOAOUXGPIYBF-AWEZNQCLSA-N 372.450 2.306 0 40 FEAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13757920 YRCBRVQODBGXFV-UHFFFAOYSA-N 373.432 2.079 0 40 FEAB Cn1cnc(-c2ccc(NS(=O)(=O)c3csc(C(=O)O)c3)cc2)n1 96011288 QDDWOTPWAJWIEN-UHFFFAOYSA-N 364.408 2.043 0 40 FEAB O=C(Nc1cc(Cl)cc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12 9451334 KFGHJLQXQQZIOZ-UHFFFAOYSA-N 372.233 2.430 0 40 FEAB COc1ccc(C)cc1CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 15357587 WVBVAZKXAXIGEI-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(-c2ccccc2)on1 7554953 FEOHNULDCCTKED-UHFFFAOYSA-N 369.377 2.249 0 40 FEAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(C)CC1 19911531 SBJJKDNEEMGASW-UHFFFAOYSA-N 373.478 2.388 0 40 FEAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2)c2ccccc2O1 18935778 YZLJAKFSDACUOI-SFHVURJKSA-N 353.422 2.419 0 40 FEAB COc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20245538 STAWYIDCMULWOB-UHFFFAOYSA-N 363.439 2.190 0 40 FEAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Br 170609901 KAGUJKLJYYBMKS-IJLUTSLNSA-N 374.242 2.367 0 40 FEAB Cc1c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(=O)[nH]c2ccccc12 75104152 JZDIPMPPUXOHKO-UHFFFAOYSA-N 367.449 2.311 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409388007 BTFUZVOYFZTQDQ-CQSZACIVSA-N 356.488 2.365 0 40 FEAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3nccn3C)n2)c1 72322114 NWIUIFGZYMIEGX-KRWDZBQOSA-N 353.426 2.392 0 40 FEAB biogenic,in-vitro CN1CCOc2ccc(NC(=O)c3ccc4nsnc4c3)cc2C1=O 38677926 FDLYPMFJTYDOMF-UHFFFAOYSA-N 354.391 2.408 0 40 FEAB C/C=C/c1ccc(OCC(=O)NCC(C)(C)N2CCOCC2)c(OC)c1 36733038 WLIYUMZGKYROPM-AATRIKPKSA-N 362.470 2.334 0 40 FEAB CCOc1ccc(C(=O)N2CCC(NC(=O)C3(C(=O)O)CCC3)CC2)cc1 566289761 ZUEOVEPKKUOIMV-UHFFFAOYSA-N 374.437 2.061 0 40 FEAB O=C(O)c1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 566222892 OUSZRVZJEGBMMB-UHFFFAOYSA-N 368.433 2.272 0 40 FEAB Cc1ncccc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 571088971 JKVXQSBNAINVAM-KXBFYZLASA-N 350.422 2.267 0 40 FEAB CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(C)=O 225116562 ZILGGFLFWSETBI-UHFFFAOYSA-N 351.453 2.240 0 40 FEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccc(F)cc1 224077597 PXYSIYKUSKNLPF-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859940 YWIARWATGHXAIS-UHFFFAOYSA-N 350.783 2.333 0 40 FEAB CC(C)Cn1nc(CC(=O)NCCc2ccccn2)c2ccccc2c1=O 95480718 TYIZVWJEXQJKMH-UHFFFAOYSA-N 364.449 2.349 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)o1 96051526 KFISNKCKEQLLDU-INIZCTEOSA-N 354.410 2.193 0 40 FEAB Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040378 AADCZWHOXDNGAO-VQIMIIECSA-N 357.410 2.468 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)c1ccc(F)cc1)C2 96227476 DZKWCUBOYHKPBP-PXNSSMCTSA-N 353.397 2.389 0 40 FEAB N[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688284 VMUCPUKAESXWIB-BZUAXINKSA-N 355.818 2.109 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247806386 BJPMJWWBYURJKK-INIZCTEOSA-N 356.397 2.460 0 40 FEAB O=C(/C=C/c1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257322004 WEFYQEWYFNURCR-QDLOVBKTSA-N 356.438 2.456 0 40 FEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257278833 ODVJXWXHIMWWIV-CQSZACIVSA-N 352.394 2.017 0 40 FEAB CCc1nccn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257309073 TZKNKWDAPBCXRR-PXNSSMCTSA-N 357.454 2.267 0 40 FEAB Cc1ccsc1CN1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 253599537 QWNWPRSMYIZWNW-HNNXBMFYSA-N 372.494 2.258 0 40 FEAB O=C1NC(=O)N2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@H]12 540911582 RKOVZMUIELSYEP-GOSISDBHSA-N 369.396 2.141 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257263835 LRRZJBYJFUQEHM-SJLPKXTDSA-N 366.845 2.005 0 40 FEAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 257200853 AFCVDASPVPGLQU-GOSISDBHSA-N 370.453 2.457 0 40 FEAB COc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cc1F 257233437 GPGIDLGNSDWWAD-MRXNPFEDSA-N 359.401 2.407 0 40 FEAB CN(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccc(Cl)cc1 260760957 CTBCRINMUQEBSH-HUBLWGQQSA-N 356.875 2.265 0 40 FEAB O=C(NC1CCN(CC(F)F)CC1)c1cccc(-n2ccnc2O)c1 651204036 XDMZNDRSUOEVEQ-UHFFFAOYSA-N 350.369 2.037 0 40 FEAB Cc1cnn(CC(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 67785117 XISLWGXPGIELFL-UHFFFAOYSA-N 364.405 2.380 0 40 FEAB O=C(Nc1cccc2cccnc12)N[C@H]1CCN(c2ccc3nncn3n2)C1 390830768 NEXQANDVAVWLEK-AWEZNQCLSA-N 374.408 2.073 0 40 FEAB O=C(NCc1ccc(F)cc1F)c1cn(C[C@H](O)c2cccs2)nn1 390827855 LFFIQFATPFCPRC-AWEZNQCLSA-N 364.377 2.281 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)c1 575402313 AFGQCJHFIYVRND-QGZVFWFLSA-N 353.422 2.485 0 40 FEAB Cc1noc(CN2CCCC[C@@H](NC(=O)Nc3cscc3C)C2=O)n1 585088661 PTSWBEZHPNXTSI-GFCCVEGCSA-N 363.443 2.451 0 40 FEAB C[C@H]1CCc2[nH]c3c(C(=O)N[C@H](C)C(=O)N4CCOCC4)cccc3c2C1 68791773 ZURBVNRCPRPGGJ-UONOGXRCSA-N 369.465 2.270 0 40 FEAB O[C@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@H](O2)[C@@H]1n1cccn1 952844927 UMUPJBKIFWFBCD-DGXTUMSLSA-N 370.236 2.005 0 40 FEAB biogenic,in-vitro C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc2c(c1)NC(=O)CO2 95949154 PSIWMPNXXRCHJZ-RISCZKNCSA-N 372.450 2.320 0 40 FEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)cc2F)CC1 85468224 SIYQHGNXTJCZRA-CQSZACIVSA-N 351.441 2.453 0 40 FEAB CO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@H]53 95876291 BMDMNLBIKSAWCI-FCGMOTLLSA-N 364.445 2.067 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccsc2)CCOCC1 952990052 STUHLOKEBGPKKQ-UHFFFAOYSA-N 369.512 2.125 0 40 FEAB Cc1ccc(OCCNC(=O)CCn2cnc3sccc3c2=O)cc1 11239527 QBDHOMCTWRSZFJ-UHFFFAOYSA-N 357.435 2.352 0 40 FEAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1N)c1ccccc1 11519706 VRYWPDHNPNANPA-UHFFFAOYSA-N 354.435 2.256 0 40 FEAB CC(=O)c1ccc(-n2nnnc2SCC(=O)NC2CCCCC2)cc1 15935444 XIULNAYTMVWNAS-UHFFFAOYSA-N 359.455 2.406 0 40 FEAB Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 19234428 JDFYQBWNYXGOBC-UHFFFAOYSA-N 362.433 2.190 0 40 FEAB Cc1c(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)no2)cnn1C 19554147 STEYMYCXXWFMRE-JTQLQIEISA-N 367.365 2.355 0 40 FEAB Cc1cc2nc(CCNC(=O)Cn3c(C)c(C)c(C)nc3=O)[nH]c2cc1C 19716188 IDLXWQOOUAOZFA-UHFFFAOYSA-N 367.453 2.021 0 40 FEAB CO[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 206866223 REDVNEJHQDYVSV-JDFRZJQESA-N 355.456 2.282 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3cc(-n4cccc4)ccn3)C[C@@H](C)O2)n1 628859879 ZMKHILHNECFLCG-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB CN(CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1 6230454 NLEUODFZQAPVEI-UHFFFAOYSA-N 350.465 2.496 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888906605 FZVZKBCJBYYQMM-UGSOOPFHSA-N 351.414 2.137 0 40 FEAB COCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889108905 ZBLJPKPHCAFQAS-UHFFFAOYSA-N 360.430 2.159 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(c4ncnc(C)c4C)CC3)ncn2)n1 1889139053 COALNBWQTXEBPG-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB CCOc1ccc(N2C[C@@H](C(=O)NCCc3ccccn3)CC2=O)cc1 22507777 STEWDTJEASMHFO-HNNXBMFYSA-N 353.422 2.192 0 40 FEAB O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40098187 BATGWEUGOFBJHG-SFHVURJKSA-N 357.454 2.421 0 40 FEAB N=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)cc2)C(O)=N1)Nc1ccccc1 20101675 YRDJDWQYVNURJM-AWEZNQCLSA-N 368.372 2.485 0 40 FEAB CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 32707575 NGTVFUVLNIEQGN-UHFFFAOYSA-N 367.449 2.406 0 40 FEAB CCc1ccc(-c2nc(C(=O)NC3CCN(CC(N)=O)CC3)cs2)cc1 32908391 LYMUYYVYEBUCOF-UHFFFAOYSA-N 372.494 2.052 0 40 FEAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(F)c1 21847610 OSBCFNBTRXSLKH-UHFFFAOYSA-N 371.412 2.311 0 40 FEAB CCN1CCN(Cc2ccccc2CNC(=O)CCc2ccncc2)CC1 52877513 PHGUROWKSHDXJH-UHFFFAOYSA-N 366.509 2.468 0 40 FEAB COC(=O)CCCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 79022519 GSIHWZCNWOWQTC-UHFFFAOYSA-N 373.375 2.120 0 40 FEAB CCCOCCOC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 79110451 RJRQAQXNKSSMOK-BJMVGYQFSA-N 353.440 2.110 0 40 FEAB CCc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C 806624 FNUHPSWAQKJWBO-SFHVURJKSA-N 374.466 2.159 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 104716811 NMNHCVRDQOYUHX-VNHYZAJKSA-N 363.483 2.008 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)N(C)c2cccc(C)c2)cs1 6681242 XWRXUXWZVUTDNB-UHFFFAOYSA-N 368.480 2.258 0 40 FEAB C=Cn1nnc(NC(=O)COc2c(C)cc(C)cc2Br)n1 10119695 NLCVMMKXTPDBIQ-UHFFFAOYSA-N 352.192 2.170 0 40 FEAB O=C(COC(=O)COc1ccccc1F)Nc1nnc(-c2ccccc2)o1 8009199 KOMYJYHCAOGZDT-UHFFFAOYSA-N 371.324 2.436 0 40 FEAB CCOC(=O)[C@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1ccc(O)c(OC)c1 1404451 XHRRTYBCUKFJNW-IAGOWNOFSA-N 368.389 2.198 0 40 FEAB CC(C)c1ccccc1OC[C@@H](O)CN1CCC(N2CCNC2=O)CC1 51449900 PUHPRFLWXXIJGR-KRWDZBQOSA-N 361.486 2.039 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c(=O)[nH]1 25353224 PVSPYTYKLWVQBW-QGZVFWFLSA-N 370.453 2.454 0 40 FEAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccs1 2952425 WVHJQSUCODXCRU-UHFFFAOYSA-N 357.435 2.238 0 40 FEAB O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(Cl)cc1C(F)(F)F 59850842 REGUEUGAYDXKTR-UHFFFAOYSA-N 370.780 2.028 0 40 FEAB CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1cccc(Cl)c1 57486143 SEZZYBBDPNADBJ-UHFFFAOYSA-N 364.810 2.148 0 40 FEAB CC(=O)NCCNC(=O)COc1ccc(C2SCCCS2)cc1 48286378 QXOUJDNRRLUJKG-UHFFFAOYSA-N 354.497 2.186 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N(Cc1ccco1)C1CC1 44698689 PXTDQUSIHQTLLH-UHFFFAOYSA-N 359.426 2.415 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(-n2ccnc2)cc1 58178091 YZELYCDXWKOLHL-UHFFFAOYSA-N 374.400 2.175 0 40 FEAB CC(C)C[C@@H](C(=O)NC[C@H](C)N1CCCC1)N1C(=O)c2ccccc2C1=O 36077155 YHFHRBUKZNXSFQ-YJBOKZPZSA-N 371.481 2.298 0 40 FEAB Cc1cc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)ccc1F 36071082 ILVYTIZNYBEUQO-SFHVURJKSA-N 374.437 2.264 0 40 FEAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 10230981 DUCLEMUJLOIKSK-UHFFFAOYSA-N 359.455 2.172 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)C1 106933455 ZIZGLTGWHOKZKM-JLZZUVOBSA-N 350.846 2.497 0 40 FEAB CC(C)(C)C[C@H]1CCCN1C(=O)CNC1=NS(=O)(=O)c2ccccc21 58208571 MDVHXKUWMVOOAE-CYBMUJFWSA-N 363.483 2.152 0 40 FEAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1 67896490 UKRIJQZJRWVUSE-UYAOXDASSA-N 372.396 2.245 0 40 FEAB biogenic,in-vitro CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1 48496942 RMBIHHUAOJMAHS-VIFPVBQESA-N 360.195 2.390 0 40 FEAB O=C1C[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)c2ccc(F)cc2N1 12920651 MZXDEOYTUYXHIA-TZMCWYRMSA-N 356.353 2.208 0 40 FEAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC)CC 12949038 NTGVUGQLBADSLC-IUODEOHRSA-N 351.472 2.008 0 40 FEAB CCCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999400 MHYSYYXGTKZGOS-JQAFLVLXSA-N 354.428 2.006 0 40 FEAB biogenic CCOc1ccc(-c2nc3s/c(=C\c4cccnc4)c(=O)n3n2)cc1 4140914 YICBZZBJYXFTMY-GDNBJRDFSA-N 350.403 2.159 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 39558778 ZCHOJOAJEZWUNC-UHFFFAOYSA-N 362.748 2.017 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccsc3)C(=O)O2)c1 96814896 CFSNHECVRAXUGT-RIYZIHGNSA-N 362.432 2.343 0 40 FEAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1cccs1 14052033 DVVPYPROVQUQGR-HNNXBMFYSA-N 358.467 2.196 0 40 FEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c(OC)c1 5326818 OBWZWULFFIVYDY-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C 14124579 DOCOUPPVDAOFLW-GFCCVEGCSA-N 371.470 2.347 0 40 FEAB COc1ccccc1CCNC(=O)CNC(=O)NCc1ccc(C)cc1 14199003 WXNSPBFVLRWELS-UHFFFAOYSA-N 355.438 2.162 0 40 FEAB COc1cc(C(=O)OCC(=O)NCCc2ccccc2)cc(OC)c1OC 6580514 UCRCCSQOMNIPQE-UHFFFAOYSA-N 373.405 2.228 0 40 FEAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)OCCO2 9356038 JDJBGKKTFSEHJC-UHFFFAOYSA-N 374.466 2.404 0 40 FEAB COC[C@@H](O)CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 6624527 VDGLPHILYJUVAL-ZDUSSCGKSA-N 373.405 2.130 0 40 FEAB biogenic C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CCCCC1 6669631 SGQOLFBAFDCAFD-ZDUSSCGKSA-N 355.442 2.403 0 40 FEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 66479489 YVHKWKLGRHZHMP-LBPRGKRZSA-N 372.469 2.463 0 40 FEAB CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 6940569 BUNDDLFSPSKVQL-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3cccc(F)c3)ccc21 15365348 RNNMWFZBABQHJP-UHFFFAOYSA-N 362.426 2.256 0 40 FEAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1cccs1 7063790 TZVMWVHXURRPPL-NSHDSACASA-N 356.403 2.451 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H](CO)Cc1ccccc1 67645354 LDAYPDHBKUGCLE-KRWDZBQOSA-N 368.412 2.414 0 40 FEAB O=C(CN1CCCc2ccccc21)N1CCN(C(=O)c2cccs2)CC1 7358183 UPVPZZXQIDOGSP-UHFFFAOYSA-N 369.490 2.485 0 40 FEAB COc1ccc(C(=O)CSC(=S)N2CCN(C)CC2)cc1OC 19850371 UDVGNQHJCUCFEF-UHFFFAOYSA-N 354.497 2.152 0 40 FEAB CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CCCC2 19854919 GLZRHPLUUTZKCQ-UHFFFAOYSA-N 366.483 2.464 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCCc2ccccc21 7985620 GOHWIOFMGZIWPV-MRXNPFEDSA-N 355.438 2.435 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCc2ccccc2C1 8119610 XRAKQKSNQLNVKP-UHFFFAOYSA-N 355.413 2.281 0 40 FEAB COc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(F)cc1 67346334 DEIAWUJHTJCDSB-CQSZACIVSA-N 366.776 2.276 0 40 FEAB CN(C)[C@@H](C(=O)OCC(=O)NCc1ccco1)c1c(F)cccc1F 95455822 VZKGQBPXDSSWAO-MRXNPFEDSA-N 352.337 2.020 0 40 FEAB C[C@@H](CONC(=O)Nc1ccc2c(c1)OCCO2)NC(=O)OC(C)(C)C 95981270 YIAURPRBHFLKOF-NSHDSACASA-N 367.402 2.424 0 40 FEAB COCCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409123430 HAUSQMAINVFYLU-RIYZIHGNSA-N 353.396 2.395 0 40 FEAB COCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206774 FFOFKKMGLIHQRU-AWEZNQCLSA-N 374.462 2.203 0 40 FEAB CCNC(=O)N1CC[C@@H](NC(=O)c2cnccc2Oc2ccccc2)C1 548762686 OMTMXLNLOJSAOK-CQSZACIVSA-N 354.410 2.408 0 40 FEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 409308508 YSINIBFGKBGLPS-DCXXXQMHSA-N 363.369 2.216 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1ccccc1F 72241554 ULVJKPCULSVZQI-ZWKOTPCHSA-N 360.360 2.180 0 40 FEAB CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)CCc1ccccc1 543382937 AUDYOMZCZGOGHH-SJORKVTESA-N 364.511 2.188 0 40 FEAB CCc1nc(S/C(=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)O)n[nH]1 213409379 ASUHADOCVMEJOZ-AUWXEVLLSA-N 371.422 2.467 0 40 FEAB COCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224252073 DVFHIXYNOQRRSG-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB COc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)OCCO4)n2)cc1 225405285 IZUUFKUKEBOWKV-UHFFFAOYSA-N 367.361 2.446 0 40 FEAB O=C(CCc1nnc2ccccn2c1=O)N1CCC(c2ccccc2)CC1 96232802 MCRVMGCXOJBLED-UHFFFAOYSA-N 362.433 2.428 0 40 FEAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(C)s1)C2 96060865 WGMPMRAYCFCQNH-HNNXBMFYSA-N 363.531 2.346 0 40 FEAB O=S(=O)(N[C@H]1CCC12CCN(c1ncccn1)CC2)c1ccccc1 96051643 DYFJDXFGWVWQCF-INIZCTEOSA-N 358.467 2.204 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)cs1 248139977 PWGPQCGIMRVZHU-OAHLLOKOSA-N 361.467 2.380 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 247756159 ZQRHBROMZAOICW-MRXNPFEDSA-N 359.470 2.460 0 40 FEAB Cn1ccc(CCC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)n1 585085716 BXSORCCYCKPJOH-UHFFFAOYSA-N 363.465 2.377 0 40 FEAB CCOc1ncccc1C(=O)N1CCOC[C@H]1CCc1nccnc1C 257339737 ZCZKHLPMZNMZDK-OAHLLOKOSA-N 356.426 2.053 0 40 FEAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cc4c(nc3O)CCC4)C2)n1 257200092 ABYMKDKYOSLXRP-OAHLLOKOSA-N 352.438 2.378 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1O[C@H]1CCSC1 252571737 YMHIVZPDBSWUKV-NSHDSACASA-N 356.407 2.388 0 40 FEAB COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 263223152 RBHRAMMQBHJSAF-SECBINFHSA-N 367.345 2.199 0 40 FEAB Cc1nnsc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 96121709 JIWQJMXTJNHUNO-UHFFFAOYSA-N 354.439 2.412 0 40 FEAB O=C(Cc1cccs1)N1CCC(n2cnc3ncccc3c2=O)CC1 390831973 WJLWXMKYDBWQGB-UHFFFAOYSA-N 354.435 2.259 0 40 FEAB Cc1csc(C(=O)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 585272286 MBTIXWFXDUMRPR-UHFFFAOYSA-N 368.461 2.089 0 40 FEAB COC(C)(C)C(=O)N[C@H]1CCCN(C(C)=O)[C@H]1Cc1cccc(F)c1 585280350 GDBSBTBTOYQMQZ-IRXDYDNUSA-N 350.434 2.289 0 40 FEAB Cc1ccoc1C(=O)N1CC2(C[C@@H](COCc3cccnc3)CN2C)C1 585093943 RIUCLSMLEJDRBK-QGZVFWFLSA-N 355.438 2.346 0 40 FEAB Cc1snnc1C(=O)N1CC[C@]2(CCC[C@H](CN3CCCC3)O2)C1 585102635 DEMJQMDZNHCOHJ-RHSMWYFYSA-N 350.488 2.096 0 40 FEAB CCN(C(=O)c1cccc(S(=O)(=O)NCCOC)c1)C1CCCCC1 30475886 INVBHWMBOHDKNN-UHFFFAOYSA-N 368.499 2.406 0 40 FEAB CN(CC(=O)N1CCc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1 48311874 MNYGJQYOJYIOMI-UHFFFAOYSA-N 358.463 2.111 0 40 FEAB CC(=O)c1cc([C@@H](O)[C@H](C)O)ccc1OC(=O)c1ccc2c(c1)OCO2 49180872 BVHCIBPROINFPQ-VOJFVSQTSA-N 358.346 2.251 0 40 FEAB biogenic,in-vitro Cc1ccccc1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000187 OHHPSTXNAUDYCV-RBUKOAKNSA-N 367.449 2.321 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1N 5242172 UZSRUPWZQQICNK-UHFFFAOYSA-N 370.438 2.183 0 40 FEAB C[C@@H](C(=O)N1CCc2ccccc21)n1nc(-c2ccco2)cc(N)c1=O 12181504 AHAIYKNMTCJJEN-LBPRGKRZSA-N 350.378 2.236 0 40 FEAB Cc1cc2cc3c(cc2n2c(=O)n(CCN4CCCCC4)nc12)OCO3 12181993 RVXJYJXXGWYJHQ-UHFFFAOYSA-N 354.410 2.172 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(=O)[nH]cnc21 12427847 HJLIMLLHJLEYOU-UHFFFAOYSA-N 367.793 2.180 0 40 FEAB biogenic,in-vitro Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccncc3)CC2)n1 13225786 USSFAMJPYAVLIU-UHFFFAOYSA-N 367.453 2.036 0 40 FEAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NC3CC3)cs2)cc1 16850406 FYLRXAANNPPDMW-UHFFFAOYSA-N 351.453 2.111 0 40 FEAB O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(F)ccc1F 19293030 ZJLJWKYHPJICMM-AWEZNQCLSA-N 374.391 2.226 0 40 FEAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 19532943 OPNBOPCKFRPHOM-IBGZPJMESA-N 366.465 2.427 0 40 FEAB Cc1nc(N(C)C)ncc1C(=O)NCC1(c2ccccc2F)CCOCC1 19552774 ZVYHHLIHJNSFTA-UHFFFAOYSA-N 372.444 2.468 0 40 FEAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)Cc1ccccn1 19579512 VUAPCQNBFXXDAZ-CQSZACIVSA-N 362.433 2.430 0 40 FEAB C[C@H](c1cc(=O)[nH]c(NC2CCCC2)n1)n1ncc2ccccc2c1=O 19717936 QUFALFXTHPIVEE-GFCCVEGCSA-N 351.410 2.444 0 40 FEAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)Cn3cccn3)C2)N1C 643574277 MUSNSZNLRDJUOJ-MOPGFXCFSA-N 367.497 2.499 0 40 FEAB O=C(NCC1(O)CSCCSC1)c1ccc(C(F)(F)F)nc1 1888847538 SDFQHHVLAAPUAI-UHFFFAOYSA-N 352.403 2.041 0 40 FEAB Cn1nc([C@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc1O 2037844523 VMISOEKWJCYUHE-OAHLLOKOSA-N 352.398 2.074 0 40 FEAB Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3F)CC2)ncn1 1565520716 IVEMNMDIRLEVQY-UHFFFAOYSA-N 365.430 2.404 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1565555256 DFECKJONDLVSQU-GOSISDBHSA-N 351.450 2.470 0 40 FEAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CC1 9828545 XSYOMTAQYYBXGJ-UHFFFAOYSA-N 371.871 2.418 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccncc2)C1 2055746220 BNDIERAULICKAT-FQEVSTJZSA-N 372.444 2.040 0 40 FEAB Cc1c(CN2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)cnn1C 2055751351 NCCBYOGABBIAEJ-HXUWFJFHSA-N 355.486 2.263 0 40 FEAB Cc1nc(C)c(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884604 SRJGFKOUOJOPTE-ZDUSSCGKSA-N 359.442 2.218 0 40 FEAB CSC(=S)O[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 38230633 ABYFQWZWTAVGKO-KAMPLNKDSA-N 350.458 2.047 0 40 FEAB in-vitro CC(C)n1nccc1-c1nnc(NC(=O)Cc2ccc3c(c2)OCO3)o1 38871714 NOKYVCJFEKDAJG-UHFFFAOYSA-N 355.354 2.424 0 40 FEAB O=C(O[C@H]1CCOC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585399724 UMFKZRFQJCTQFP-WFASDCNBSA-N 373.858 2.427 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)nc1 40122103 TYTDZXFQFWFDRR-WBVHZDCISA-N 358.486 2.241 0 40 FEAB COc1cc(OC)c([C@@]23CCN(C)C[C@@H]2O3)c(OC)c1Br 100467192 WKPBNWSHAJYKOE-XHDPSFHLSA-N 358.232 2.405 0 40 FEAB O=C(Cc1n[nH]c2ccccc12)N1CCN(C(=O)Oc2ccccc2)CC1 50602361 JOQJCCLURIONEW-UHFFFAOYSA-N 364.405 2.449 0 40 FEAB COc1ccc(CNC(=O)c2nn(-c3ccc(C)c(C)c3)nc2CO)cc1 21149129 MZPPRLRDQDUSIG-UHFFFAOYSA-N 366.421 2.315 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Sc2nncn2-c2ccccc2C)CC1 21332535 UFEWFGIKSCYIOT-HNNXBMFYSA-N 359.499 2.220 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 102331781 CONNZTFETWOUAQ-VIRABCJISA-N 358.373 2.151 0 40 FEAB C[C@H](CNC(=O)c1ccccc1SCC(N)=O)N1CCc2ccccc21 33056791 QDAAMZCCMPUROX-CQSZACIVSA-N 369.490 2.445 0 40 FEAB Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccncc1 12325144 SGRGRQBGPFAMPG-UHFFFAOYSA-N 350.353 2.371 0 40 FEAB Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)N1CCCCC1 891480 SZOPCDHAJAIXIA-UHFFFAOYSA-N 370.482 2.318 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCCC1 905652 KSXBXWBATQVJDW-CQSZACIVSA-N 373.478 2.290 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1345826 YZPVEIUNQIDXML-INIZCTEOSA-N 362.451 2.138 0 40 FEAB CNC(=O)C1=CN(Cc2c(Cl)cccc2Cl)C=C(C(=O)NC)C1 1723653 OFJHVVTYSZTQOG-UHFFFAOYSA-N 354.237 2.459 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCc2ccccc2C1 4241489 PVLPERLHGUCCJA-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB NC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)cc(C(N)=O)c1 6787510 WNSZBDUUXUYHHJ-UHFFFAOYSA-N 352.177 2.444 0 40 FEAB CCCN1C(=O)/C(=C\Nc2ccc(Br)cc2)C(=O)NC1=S 6907440 MVHJAHRUSJBLIY-FLIBITNWSA-N 368.256 2.398 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 7254129 PIHIEJZNJCDHDF-UHFFFAOYSA-N 371.418 2.137 0 40 FEAB O=C1C[C@H](Nc2ccc3c(c2)OCCO3)C(=O)N1CCc1ccccc1F 55117911 XXDIPGCRIMHOKS-INIZCTEOSA-N 370.380 2.379 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1 22227009 SMZZKQWRJYAWBL-UHFFFAOYSA-N 364.442 2.485 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)N(Cc2cccnc2)C2CC2)C1=O 1361899 FPYOCYMWFMGHJR-CQSZACIVSA-N 351.406 2.387 0 40 FEAB NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 25055538 YDLUAWKKZPUBHX-UHFFFAOYSA-N 369.446 2.409 0 40 FEAB COCCN(CC(C)C)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 72309646 PKPSWWFWVNKUQF-UHFFFAOYSA-N 373.475 2.203 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCNC(=O)NC2CCCCC2)CC1 44456722 UKDLIIDIBKYWIW-UHFFFAOYSA-N 354.495 2.171 0 40 FEAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 29645714 IHIQULLLQLLCHK-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB Cc1nc(N(C)CC(=O)N(C)C)c2cnn(-c3cccc(Cl)c3)c2n1 58167689 JJSDKJKOPZCWMB-UHFFFAOYSA-N 358.833 2.302 0 40 FEAB O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)C1CC1)Nc1ccc(F)cc1 36000015 VTGFUTRTGVMPLO-IXDOHACOSA-N 373.428 2.203 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1 36071044 ODIUAHKJPKFCOH-SFHVURJKSA-N 356.447 2.125 0 40 FEAB O=C(NCc1ccccc1F)N1CCN(C(=O)c2ccccc2O)CC1 58391959 GRYWMPKJRXIHDO-UHFFFAOYSA-N 357.385 2.199 0 40 FEAB O=C(NCCC(=O)N1CCCC1)NCc1ccccc1OC(F)(F)F 45119537 FETICFYRNGOLSA-UHFFFAOYSA-N 359.348 2.397 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 10744321 SEOBMGNSINCPQS-KRWDZBQOSA-N 350.484 2.487 0 40 FEAB Clc1ncccc1-c1noc(CN2CCN(C[C@@H]3CCCO3)CC2)n1 23247797 QWVVEHPQPBIOEK-ZDUSSCGKSA-N 363.849 2.082 0 40 FEAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCC(N)=O 2505777 NBQXEFCTSUUIKI-UHFFFAOYSA-N 360.361 2.473 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 9048348 UBJCOSIUMDHRET-JTQLQIEISA-N 359.860 2.312 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2[nH]1 5015607 BCANCNBYYFEEID-UHFFFAOYSA-N 351.815 2.031 0 40 FEAB CC(C)n1cnnc1SCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 39983568 BRDXMHJOOJQMKU-MRXNPFEDSA-N 359.499 2.466 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(C)cc1C 65562644 KFJNADPQEZMGBK-KGLIPLIRSA-N 356.513 2.282 0 40 FEAB CC(=O)Oc1ccc2c(=O)c(/C=C/C=C3\C(=O)N=C(O)N=C3O)coc2c1 5624869 QSVZVUAKDFLHDB-NSCUHMNNSA-N 368.301 2.069 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9447463 MXZBMDLZLPQRMU-CYBMUJFWSA-N 370.421 2.154 0 40 FEAB CC(C)N(C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)C(C)C 7190626 MGTRUMPSAPLCAD-ZDUSSCGKSA-N 373.544 2.458 0 40 FEAB CC(C)Cn1cnc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 80642361 IHHIOTLYQVXOJG-UHFFFAOYSA-N 368.528 2.107 0 40 FEAB CN1CCN(C(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 19860635 GKIAPSUKAAIKHF-UHFFFAOYSA-N 353.491 2.467 0 40 FEAB COc1cccc(CC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 7682096 IDFHAPMRUUVABL-UHFFFAOYSA-N 357.362 2.191 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(C)c1 8111371 NWIXGNYQOIZICI-UHFFFAOYSA-N 368.480 2.368 0 40 FEAB COc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc3c(c2)OCO3)cc1 16954229 STQSYFHFYLNCPA-UHFFFAOYSA-N 367.365 2.216 0 40 FEAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CCO[C@H](c4ccccc4)C3)nc21 71853341 ROGATRCTHFTEQX-HNNXBMFYSA-N 353.426 2.453 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)CCN1C(=O)c2ccccc2C1=O 8667590 PRQYKDKFJDDQBH-UHFFFAOYSA-N 371.345 2.186 0 40 FEAB COC(=O)CN(C)CCNC(=O)CCCOc1ccc(C(C)(C)C)cc1 95448219 PIUHTZWLQHNQRF-UHFFFAOYSA-N 364.486 2.364 0 40 FEAB O=C(COc1ccc(C(F)(F)F)cc1)N1CCOC[C@@H]1c1ncon1 95981299 UEZKOQLJGRPXGZ-GFCCVEGCSA-N 357.288 2.067 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1 408552307 LPUQSDZIKWLQCA-UHFFFAOYSA-N 363.776 2.481 0 40 FEAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1)C1CCC1 67896850 KUIOEICLUYIHJV-IEBWSBKVSA-N 358.438 2.096 0 40 FEAB biogenic,in-vitro COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCc1ccncc1 32998102 OCEDTAGSLAVCSD-INIZCTEOSA-N 373.478 2.258 0 40 FEAB COc1cccc([C@@]2(Cc3ccc(Br)cc3)NC(N)=NC2=O)c1 71975352 NIZBSRVLDLICLX-QGZVFWFLSA-N 374.238 2.340 0 40 FEAB O=C(Nc1nc(C2CCOCC2)cs1)c1cn(C2CCOCC2)nn1 562212708 WYDWPVBKKYYFFK-UHFFFAOYSA-N 363.443 2.232 0 40 FEAB O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCc2ccccc2C1 42127427 OZWAHAVRCFBZES-UHFFFAOYSA-N 358.829 2.165 0 40 FEAB O=C(NCc1ccccc1Cl)c1coc(NC(=O)c2cnccn2)n1 75157964 FVGQBNCUVBYRMO-UHFFFAOYSA-N 357.757 2.300 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Nc2ccccc2)cc1 224196941 BUHGEBGIUSVIOU-UHFFFAOYSA-N 363.439 2.137 0 40 FEAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)s1 96047827 ATNKNIJBLPSKPB-OAHLLOKOSA-N 352.500 2.285 0 40 FEAB CC(C)c1nnc([C@]23COC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)o1 96110122 SCCLQGOADJCAKY-KZULUSFZSA-N 358.398 2.099 0 40 FEAB Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)no1 96147010 BEMAXTQITDRVFQ-UHFFFAOYSA-N 374.466 2.307 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1S(C)(=O)=O 96208605 QPOFGKTYISLBCX-AWEZNQCLSA-N 358.529 2.011 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCc2nc(C)no2)cc1 583616244 ZASLTSUKSAXZMR-VQIMIIECSA-N 359.426 2.218 0 40 FEAB CCc1cnc(N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)nc1 96158905 ZGROSCYQDYSBSK-UHFFFAOYSA-N 356.426 2.144 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)C4CCOCC4)C3)C2=O)n1 96048836 WGXIONWXFNQXGX-NRFANRHFSA-N 371.481 2.158 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96205875 XKCSOAVILJLBGD-KXBFYZLASA-N 356.426 2.059 0 40 FEAB O=C1OCc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 95473611 QYIZYTSLEVGYTQ-AWEZNQCLSA-N 350.374 2.344 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1 96048789 OJXCPVWLXPCLGI-HXUWFJFHSA-N 353.470 2.138 0 40 FEAB COc1ccc(CC(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)cc1 247912818 LDOCDLUJQHZLFI-SFHVURJKSA-N 368.433 2.472 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)cs1 248159078 WVGWUWJFHHRLTG-HNNXBMFYSA-N 372.494 2.462 0 40 FEAB c1cnc(Nc2cnc(CC3CCN(Cc4c[nH]cn4)CC3)cn2)cn1 257291402 QGUFTLAVASASCX-UHFFFAOYSA-N 350.430 2.188 0 40 FEAB O=C(c1cccnn1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257274877 NMZCJFDSVSDHTI-ICSRJNTNSA-N 353.422 2.457 0 40 FEAB O=C(COc1cccc(F)c1)N1CCC2(CC(Nc3ccncn3)C2)C1 257293525 QPWSZBKLZQHVCP-UHFFFAOYSA-N 356.401 2.488 0 40 FEAB COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257304100 SKBOVAWTOWWMQZ-JFIYKMOQSA-N 350.434 2.284 0 40 FEAB O=C(CCc1ccccc1F)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257236505 HCMOACPYGLIQOA-INIZCTEOSA-N 359.401 2.114 0 40 FEAB COC[C@@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CC(C)(C)O1 284373215 DDRLOEDVLUFBJV-INIZCTEOSA-N 364.467 2.190 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)s[nH]1 647700071 UAYYMLCQEGQUAM-DTWKUNHWSA-N 352.441 2.372 0 40 FEAB Cc1cc([C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCNC3)CCO2)ccc1F 662509802 PFFIJXXRFBYRRA-RHSMWYFYSA-N 358.417 2.148 0 40 FEAB Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3[C@@H]4c5ccc(F)cc5C[C@H]43)C2)cn1 664219582 RVMRCDUTRIATSU-JEDBISTDSA-N 369.444 2.166 0 40 FEAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N(CC(F)F)C3CC3)cc2)C1 1251690389 LQHFLVCGSRFDQH-CYBMUJFWSA-N 351.397 2.258 0 40 FEAB CC[C@@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)nc1)c1ccccc1 1775996919 NCSRUDQSTLAIOX-OAHLLOKOSA-N 373.434 2.165 0 40 FEAB Cc1nc([C@H]2CN(C)CC23CN(C(=O)c2ccc(Cl)cc2C)C3)n[nH]1 1775958188 JBPVOFNIXREXCR-OAHLLOKOSA-N 359.861 2.246 0 40 FEAB Cc1cc(CNC(=O)c2c(C)nn(C)c2OC[C@@H]2CCCCO2)nc(C)n1 606442395 DHYPLLVXIRTDGM-INIZCTEOSA-N 373.457 2.013 0 40 FEAB Cc1cccc([C@H]2C(=O)NCCN2CCOc2ccccc2C(=O)O)c1 566510265 NDTQLLQZXUTEKI-SFHVURJKSA-N 354.406 2.245 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1F 575413930 SEBGWLGLPBIBJZ-CYBMUJFWSA-N 361.421 2.131 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 585108684 XSAHPEWAZILSPM-KFWWJZLASA-N 366.458 2.405 0 40 FEAB O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 678354000 WOXYQTBHMPAGDE-KGLIPLIRSA-N 372.371 2.438 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccccc4)nc(C)n32)o1 12115504 RUHZRVROJRTMEL-UHFFFAOYSA-N 364.405 2.218 0 40 FEAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@@H](C)O)CCOCC3)C2)cc1 12157042 VBFQRMNRVSALIQ-WBVHZDCISA-N 360.454 2.172 0 40 FEAB Cc1onc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)c1Cn1cccn1 12203322 MLUFPUGXRQLXHB-CQSZACIVSA-N 359.474 2.468 0 40 FEAB Cc1ccccc1CC(=O)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12258208 GXGGQEAIISBLCL-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(F)c1 12481190 YNSRPZQUVAXCBU-UHFFFAOYSA-N 362.426 2.409 0 40 FEAB Cc1csc2c([C@H]3CCCN(C(=O)CCn4cncn4)C3)nc(C)n12 19240419 PSRNBQOJJIJWML-AWEZNQCLSA-N 358.471 2.400 0 40 FEAB COc1ccccc1CN1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 19570646 KAKMMFDJUYRXGS-UHFFFAOYSA-N 354.454 2.327 0 40 FEAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 162351089 AVJCCYHTXBEUCD-SJCJKPOMSA-N 356.426 2.105 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 8306334 JMIAZDVHNCCPDM-AXNKXFHKSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro Cc1ccn2ncc(C(=O)N3CCC(CC(=O)NC4CCCC4)CC3)c2n1 590020539 IDVKMYQOWPWSGT-UHFFFAOYSA-N 369.469 2.339 0 40 FEAB Cc1cc(C)c2c(C)c(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)sc2n1 9338511 KCRRIWBOQGGGOO-NSHDSACASA-N 361.423 2.319 0 40 FEAB COCn1nc(Br)nc1C(=O)CCCO[C@@H]1CCCCO1 1772715264 KXORDRHCAXZZNG-LLVKDONJSA-N 362.224 2.151 0 40 FEAB COCc1nsc(N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)n1 1888860293 NYQRUUJOGJUGET-CHWSQXEVSA-N 374.514 2.345 0 40 FEAB O=C(c1cnc2ccccc2n1)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888906850 SIJAGAMGACYYRV-CHWSQXEVSA-N 351.435 2.295 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncnc(C)c4C)CC3)nn2)n1 1889138988 LGXPFGNKNCJLHE-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB FC(F)(F)c1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1 1136880920 OQHGAAKMXZTYKM-UHFFFAOYSA-N 362.359 2.465 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(c4ncccc4F)CC[C@H]3C2)nc1 2056223964 JLDLJFONXRMKNE-OKILXGFUSA-N 371.416 2.008 0 40 FEAB O=C(c1ncc(Cl)cn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1614931574 XZKYWDDIBVOOTG-PMPSAXMXSA-N 374.828 2.114 0 40 FEAB O=C1C[C@]2(COCCN(Cc3cccnc3)C2)CN1c1ccc(F)cc1 1565542770 PXDBIPQCMDHPIX-HXUWFJFHSA-N 355.413 2.476 0 40 FEAB Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1 10704905 MUABCCLYSJBSLD-UHFFFAOYSA-N 372.490 2.421 0 40 FEAB C[C@@H](C(=O)NC1CCCC1)n1nc(-c2ccc3c(c2)OCO3)ccc1=O 44391650 DYIJFHOGNAPCAG-LBPRGKRZSA-N 355.394 2.259 0 40 FEAB Cc1ncn(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1C 49404483 UNSHDSAUERCXHK-UHFFFAOYSA-N 354.179 2.400 0 40 FEAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2nscc21 49403916 QRJPJJBNZZNWML-UHFFFAOYSA-N 372.450 2.456 0 40 FEAB COc1nc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)nc(OC)n1 575608382 SSNFENGLAUUMDG-UHFFFAOYSA-N 373.291 2.109 0 40 FEAB COc1nc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)ncc1Br 2298042583 YONWMIWXQSYOHW-GHMZBOCLSA-N 353.264 2.168 0 40 FEAB CN1CCN(CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)CC1 20265979 UDLKTRDUWFCWNA-MHWRWJLKSA-N 356.451 2.409 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102634211 ZSWZKUIIZQXTKU-UGQVUOCMSA-N 365.389 2.113 0 40 FEAB COc1ccc(CN2CCN(C(=O)Nc3cc(C)on3)CC2)cc1OC 22385718 CWDVPOFWJQYOHY-UHFFFAOYSA-N 360.414 2.350 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015652 MKERLCLTJGPPRB-UHFFFAOYSA-N 359.817 2.112 0 40 FEAB COc1ccc(NC(=O)CN2CCN(Cc3ccco3)CC2)cc1OC 23249321 NCIBAZGJSGKLNL-UHFFFAOYSA-N 359.426 2.053 0 40 FEAB CCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 3518436 XWMCKLZCAIEIOM-LLVKDONJSA-N 357.410 2.295 0 40 FEAB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6630115 SXDRKXVLUPCYBT-XFFZJAGNSA-N 365.231 2.397 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 6654275 XJPZEXMPKBNDGK-QMMMGPOBSA-N 367.456 2.227 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)C1 12598633 AMHOYIMMTKAESS-UXLLHSPISA-N 357.454 2.044 0 40 FEAB CCc1nc(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cs1 55258036 HHZPOHUYDVRFFK-UHFFFAOYSA-N 358.467 2.064 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102082022 OUINHSIMBCNMMJ-ZMOHYTEUSA-N 350.418 2.375 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3cc(F)cc(F)c3)ccc2N1 10032764 FMVATERCRLTPET-UHFFFAOYSA-N 367.333 2.046 0 40 FEAB COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 12797144 XTULHRAJAIQIIS-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)/N=c1\sccn1C 51061878 OMSKWINHQXXGEW-KRLYBJLDSA-N 374.285 2.156 0 40 FEAB Cc1noc(C)c1C(=O)OCC(=O)N[C@H](c1ccccc1)c1nccn1C 28943480 XTOPNXYVGXPOCV-QGZVFWFLSA-N 368.393 2.088 0 40 FEAB COC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 24484462 PPHZMAGMZIXTPJ-UHFFFAOYSA-N 361.419 2.197 0 40 FEAB COc1ccc(CNC(=O)COc2ncnc3sccc23)cc1OC 2618712 PLEVOPAOGJVWQK-UHFFFAOYSA-N 359.407 2.404 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)C(F)F)cc1 3338504 XQBYAPQHDJULPO-UHFFFAOYSA-N 369.345 2.342 0 40 FEAB COC(=O)c1ccc(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)cc1 48354426 XJCQKETWPFZJAP-KRWDZBQOSA-N 363.458 2.342 0 40 FEAB C[C@@H]1CO[C@H](CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95421445 ZSZOGTCVAAPLBZ-PWSUYJOCSA-N 354.332 2.143 0 40 FEAB COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)cc1OC 3585546 UYJLOZASJNETHQ-UHFFFAOYSA-N 371.437 2.162 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCn4cccc4[C@@H]3C)ccc21 12901888 DVXBOCCKYOCOSX-ZDUSSCGKSA-N 359.451 2.163 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(C)c2)n(C)c1=O 13786519 BZNUAKCJTZUGBZ-ZDUSSCGKSA-N 353.426 2.013 0 40 FEAB O=C1C[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)c2ccc(F)cc2N1 14046018 AZIWOUYUMPHSKU-CQSZACIVSA-N 356.353 2.339 0 40 FEAB COCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9420557 ORSKCRAKWMPMAH-UHFFFAOYSA-N 369.373 2.307 0 40 FEAB biogenic C/C(=C\C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)C1CC1 96309025 XYHFAAWJVMLUIO-GXDHUFHOSA-N 350.484 2.487 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1 8844155 KOPOQRMJKWHICZ-UHFFFAOYSA-N 373.434 2.166 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(C(N)=O)c2)C(C)C)cc1 9647679 CKHJTXIHJQEPPR-QGZVFWFLSA-N 353.422 2.487 0 40 FEAB CC[C@@H](C)n1ncc2c(C(=O)N3CC[C@@](F)(C(=O)OC)C3)cc(C)nc21 74502220 BDQBWNFJJGHGPQ-XIKOKIGWSA-N 362.405 2.438 0 40 FEAB COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2C[C@H](C)O[C@H](C)C2)C1=O 25764144 GVJSHXHNJABFIA-UHIISALHSA-N 352.818 2.090 0 40 FEAB Cc1cc(CN2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)n(C)n1 306130010 ITXZZMAKOBQINY-IBGZPJMESA-N 373.501 2.315 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709683 FISAVJIZPSGVJJ-UHFFFAOYSA-N 353.422 2.124 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306144777 ZOJDJVMDLXPIKE-GJZGRUSLSA-N 371.510 2.316 0 40 FEAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 72360909 FAIWFFTYXYVSBR-HNNXBMFYSA-N 354.458 2.157 0 40 FEAB COCCC(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 72362412 MAXBNXPNTZZRBQ-HNNXBMFYSA-N 370.457 2.370 0 40 FEAB Cc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1F 72331350 OKLPWXFZTGKVER-UHFFFAOYSA-N 354.381 2.188 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NC1CC1 217614766 QOTKXVUZCBPBQR-UHFFFAOYSA-N 360.435 2.480 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2CCCC[C@@H]2C)n1 72339977 QZGWPLATJPAEFT-SWLSCSKDSA-N 357.458 2.223 0 40 FEAB CN(C)C[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O 31959613 YWWBWLFRIHSVJG-FQEVSTJZSA-N 357.454 2.239 0 40 FEAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(CCCc1ccccc1)C2 72380181 CWCFWQDEANFKQT-SFHVURJKSA-N 353.470 2.410 0 40 FEAB COc1cc(C)c(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c(C)c1 47462057 JKIZMGJYDSGDKS-OAHLLOKOSA-N 363.435 2.430 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1 48809891 WENVQTYLJXSBHM-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)c[nH]1 40051080 UMLJZBHRKRWNNT-GFCCVEGCSA-N 368.418 2.427 0 40 FEAB O=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 572176188 OGHXPLHQOMYZQA-OAHLLOKOSA-N 371.832 2.274 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)c(C)c1 577006120 QPHFGKDNKWOMOO-SFHVURJKSA-N 369.483 2.271 0 40 FEAB CCN(CC)[C@H](C(=O)N1CCO[C@H](CO)C1)c1cccc(C(F)(F)F)c1 532869148 VQHULMKHCADTPC-HOTGVXAUSA-N 374.403 2.308 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106835 CCIYUFLRJWZNGT-SFHVURJKSA-N 353.422 2.457 0 40 FEAB CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 96145757 VITVLJLNOWNTAP-HOTGVXAUSA-N 366.483 2.105 0 40 FEAB COc1ncccc1CN1CCC2(CC1)CN(c1ccccn1)CCO2 96158990 FTIOYSLMPIHWNQ-UHFFFAOYSA-N 354.454 2.357 0 40 FEAB O=C(c1cccnc1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239685 QXSIYRZUYPLJSX-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C 257234441 GTNXHBACORHJQW-KZNAEPCWSA-N 374.510 2.135 0 40 FEAB Cc1cnn(CC(=O)N2CCC(c3cc(C)n4nc(C)cc4n3)CC2)c1 257287924 PSBGLSVJOZSIKR-UHFFFAOYSA-N 352.442 2.257 0 40 FEAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccccc3)cn2)CC1 257295218 QXMAVFALEGWBOL-UHFFFAOYSA-N 352.438 2.208 0 40 FEAB COc1ccc(-c2nc3sc(=Cc4ccccc4)c(=O)n3n2)cc1OC 254482221 HDKJCWKLECIUJB-UHFFFAOYSA-N 365.414 2.383 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3cncnc3)CC2)C1 257252785 JWDPQBCTZOIWHA-GOSISDBHSA-N 352.438 2.377 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 257337012 YQZFBTPKPFJLIO-KRWDZBQOSA-N 357.458 2.439 0 40 FEAB Cn1cc(C(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@@H](O)[C@@H](O)CCC[C@@H]23)cn1 257249814 JJWGONVISDXTEW-KYHREEPGSA-N 369.465 2.288 0 40 FEAB Cc1cc(Cl)cc(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)c1 275553544 GCLSFNWNDWUNQA-HNNXBMFYSA-N 360.845 2.141 0 40 FEAB Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C 616190744 IPIUOHLUIGTWFY-FCGDIQPGSA-N 358.482 2.018 0 40 FEAB CC(C)c1ccsc1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 641666793 KSVGDLZPGBRYRH-INIZCTEOSA-N 365.543 2.398 0 40 FEAB O=C(NCC(=O)N1CCN(c2c(F)cccc2F)CC1)c1ccccc1 648945092 XTBPBIKVRZGTCM-UHFFFAOYSA-N 359.376 2.043 0 40 FEAB CO[C@@](C)(C(=O)O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 663062418 GBLXFKMAORZPLX-CQSZACIVSA-N 357.288 2.319 0 40 FEAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1Cc3ccccc31)C2 671230800 YINDYKRRSMSPSI-SFHVURJKSA-N 370.474 2.162 0 40 FEAB NS(=O)(=O)c1ccc(N2CCC(n3ccnc3)CC2)cc1C(F)(F)F 673696293 NBTCQAIOFQSPIN-UHFFFAOYSA-N 374.388 2.391 0 40 FEAB CCSc1ccccc1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831445 RWJZIZLGZMCOFR-CYBMUJFWSA-N 368.466 2.245 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575405148 RHWOFIWBELIAPL-CQSZACIVSA-N 354.401 2.117 0 40 FEAB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 575410954 TYBMDWLFVNPJMD-UHFFFAOYSA-N 350.330 2.396 0 40 FEAB CCn1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1 585099215 VSIQCMFKONHPBN-KRWDZBQOSA-N 355.486 2.253 0 40 FEAB Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCCC3)C2)ccc1F 585282022 FXTUJLAXOWTBGT-FQEVSTJZSA-N 367.461 2.271 0 40 FEAB Cc1cnc(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cn1 1776009915 YYBOSANBDGVPNS-UHFFFAOYSA-N 367.331 2.277 0 40 FEAB Cc1cc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)nn1C 1565522978 WMALGCPRGVMMNX-UHFFFAOYSA-N 369.469 2.329 0 40 FEAB CCCn1nnnc1C[S@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 92858871 SYIKUUJTBZSDTR-SANMLTNESA-N 370.482 2.206 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 663228217 TTYZBPWFQKJDSB-IRXDYDNUSA-N 356.422 2.480 0 40 FEAB CN1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 868290 GDKJKVSXVSZTDH-SDXDJHTJSA-N 353.422 2.215 0 40 FEAB O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)CO[C@@H](F)[C@@H]1O)c1ccccc1 5664893 MXKSZVULZXDWHM-QBPKDAKJSA-N 360.337 2.124 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(=O)n(C)c1)CC1(CCOCC1)O2 12087052 MIOXLDIZIYFYJX-KRWDZBQOSA-N 368.433 2.497 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)n[nH]2)c1C 12144685 ISNORZVUQOJCDX-OAHLLOKOSA-N 351.414 2.369 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1ccc(Cl)cc1 12925594 PLCUDHQDUHGXKW-UHFFFAOYSA-N 372.860 2.268 0 40 FEAB COc1ccccc1CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 15742743 FVPMLVZTSVRSNF-UHFFFAOYSA-N 351.406 2.223 0 40 FEAB COc1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1O 19550081 SACWGGCXNDGQKG-UHFFFAOYSA-N 364.405 2.104 0 40 FEAB CCn1ccnc1CN1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1 19697968 PSHBQALXXSTRGM-SFHVURJKSA-N 354.502 2.353 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234280 SRSMSTMCVMXCRX-IUODEOHRSA-N 371.416 2.238 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888857231 NUGLMNUAKPUJGA-CYBMUJFWSA-N 373.457 2.057 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4cc(C)nc5ccnn45)C[C@@H]3C2)c1F 1888897588 HGIUANCFLZASQA-ZIAGYGMSSA-N 367.432 2.102 0 40 FEAB CCOc1ccc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2n1 238888870 QKGFKWGGBLYFOE-UHFFFAOYSA-N 365.315 2.472 0 40 FEAB Cc1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)no1 2037984737 MCVMEJPARNECFS-HXUWFJFHSA-N 369.421 2.411 0 40 FEAB Cn1cc(-c2cncc(N3CCN(c4ncccc4Cl)CC3)n2)cn1 2087140309 DSFBIRMZPUAOLL-UHFFFAOYSA-N 355.833 2.252 0 40 FEAB COC(=O)[C@]12CCN(C(=O)C(F)(F)F)C[C@H]1CN(Cc1ccccc1)C2 1565504579 NMVZSFYLNGFTSK-PBHICJAKSA-N 370.371 2.072 0 40 FEAB Cc1ccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)cn34)n(C)c2=O)cc1 4370460 HHMBIRDJLREMLI-UHFFFAOYSA-N 365.437 2.395 0 40 FEAB COc1ccc(CNC(=O)CSc2nnc(C)n2-n2cccc2)cc1 4518499 ANKIAFGOVIIUME-UHFFFAOYSA-N 357.439 2.117 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)ccc21 4770404 AMBBBOCHMUCDGB-OAHLLOKOSA-N 371.462 2.055 0 40 FEAB NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 6530664 STWVVKNEHDSAQF-UHFFFAOYSA-N 355.373 2.395 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 2086867350 MZOPPBDNEIQWHO-CQSZACIVSA-N 368.319 2.480 0 40 FEAB COCc1cn([C@@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)nn1 585149813 ZBTFGNIXEDWVFX-CQSZACIVSA-N 350.419 2.129 0 40 FEAB Cc1cc(OC2CN(C(=O)CCSc3ccccc3)C2)n2ncnc2n1 618256267 PYCHBJJAWGWGQT-UHFFFAOYSA-N 369.450 2.205 0 40 FEAB Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCOCC2)n1 211068955 LNCGADSIUIULTM-OAHLLOKOSA-N 374.466 2.043 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 40122141 GGZWTPHBDNQRQV-LJQANCHMSA-N 368.481 2.449 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101941386 MGMSYISBMQMPMW-YLAKUSLOSA-N 350.374 2.200 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)cc1 32908907 VIQOPJMBRXYYFX-UHFFFAOYSA-N 352.433 2.347 0 40 FEAB CC(=O)Oc1cc(O)c(I)c2oc(C)cc(=O)c12 692272 CRWJSWDROVSXLN-UHFFFAOYSA-N 360.103 2.337 0 40 FEAB COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 781212 PXBBPTUYURSPCX-UHFFFAOYSA-N 359.378 2.076 0 40 FEAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)OCO2 1325417 YVJOKSJWLYOPHV-UHFFFAOYSA-N 360.439 2.362 0 40 FEAB COC(=O)[C@H]1CCCCN1C(=O)c1ccccc1I 42337466 ISKXTHIOAUNGMN-GFCCVEGCSA-N 373.190 2.459 0 40 FEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc(C)nc1C 23186826 LDDWNTTXANEMMF-UHFFFAOYSA-N 372.450 2.285 0 40 FEAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@]1(C)Oc1c(OC)cccc12 3911345 YGMHFWZWPBFLNT-GDZNZVCISA-N 350.440 2.234 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140098 LOIPLWAYKJCXIZ-DVOMOZLQSA-N 365.311 2.186 0 40 FEAB NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12 4891016 KHNGTGWYZYEZNF-UHFFFAOYSA-N 355.398 2.449 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 6176050 MARWWADRIWABBD-SNVBAGLBSA-N 370.377 2.279 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 8029925 IEHDIDKRBLJBMW-UHFFFAOYSA-N 353.371 2.054 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)CCOc1ccccc1Br 55036987 RUWSMWIRTOLTFU-LLVKDONJSA-N 357.248 2.249 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1COc2ccccc2C1 34803571 VCBAJLXZOJWSLR-UXHICEINSA-N 366.461 2.255 0 40 FEAB CC(=O)Nc1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1 25374315 CCAIILHIFKSLIO-UHFFFAOYSA-N 362.436 2.128 0 40 FEAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cn1 25310886 NMPGIEIXTYHPRL-JTQLQIEISA-N 363.215 2.174 0 40 FEAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccnc1 12586881 ABQJNVBULYVCGX-UHFFFAOYSA-N 374.194 2.469 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 35334268 DHANKBDNDJZMLV-QGZVFWFLSA-N 357.841 2.499 0 40 FEAB CCCN1CCN(C(=O)CSc2nc(-c3ccccc3C)n[nH]2)CC1 20195654 PZHXLNUXJJQLAI-UHFFFAOYSA-N 359.499 2.426 0 40 FEAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58218409 LLJQZUKSQSASID-ZDUSSCGKSA-N 357.451 2.397 0 40 FEAB O=C(CCNc1ncccn1)Nc1cccc(CN2CCSCC2)c1 58210497 SEVXBOSEQZZRQY-UHFFFAOYSA-N 357.483 2.466 0 40 FEAB Cc1nnc(-c2ccccc2NC(=O)COc2ccc(C(N)=O)cc2)o1 58421638 MWVWMPBDAMAMPH-UHFFFAOYSA-N 352.350 2.161 0 40 FEAB CCC[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 12993445 MLXWOMCPNGDDGN-KRWDZBQOSA-N 351.410 2.087 0 40 FEAB CC(C)[C@H](OC(=O)C1=C(Cl)CCCC1)C(=O)N1CCC(C(N)=O)CC1 95349059 YRYAYQDIIIMYRU-HNNXBMFYSA-N 370.877 2.345 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccncc1 408561639 UMSVTAOSGNFLRI-CQSZACIVSA-N 369.446 2.218 0 40 FEAB c1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccncc3)n2)cc1 65563094 XTMAQZPFPKXCLC-IBGZPJMESA-N 350.422 2.439 0 40 FEAB C[C@H](Sc1nc(N)c2c3c(sc2n1)CCCCC3)C(=O)NC(N)=O 9322593 LUQFTZFTWZYHDU-ZETCQYMHSA-N 365.484 2.218 0 40 FEAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nn1cnnc1 9481778 CRXXWWXNUDDQNC-UHFFFAOYSA-N 362.345 2.201 0 40 FEAB biogenic O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 16310643 CNAQRWKPJGYUOR-QGZVFWFLSA-N 374.404 2.032 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1C 408558446 JBEUTZVTOJOCBD-LBPRGKRZSA-N 366.414 2.448 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)Cc1ccccc1 128056553 BGEUTLAXQPDMFP-UHFFFAOYSA-N 360.479 2.197 0 40 FEAB CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccc(F)cc3)C2)c2ncccc21 306124073 BFAWYFYUCUQMMG-SFHVURJKSA-N 361.442 2.144 0 40 FEAB CC(C)CN1C[C@H](c2cn(C)cn2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 306134735 NWNHERGUEBCHFA-WIYYLYMNSA-N 367.497 2.289 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)c[nH]2)sc1C(C)C 72405218 JWNUUJGHMCEDEV-UHFFFAOYSA-N 351.384 2.002 0 40 FEAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C2CCOCC2)cc1 72341009 UPIFXTWRBWBJMT-KRWDZBQOSA-N 366.421 2.325 0 40 FEAB COCCn1ccc2nc3nc(C)nn3c(-c3ccccc3OC)c2c1=O 40398496 RIOPJGXOUPGECB-UHFFFAOYSA-N 365.393 2.070 0 40 FEAB C[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@@H](c2ccccc2)O1 62517471 INSQMMGXUQMZKJ-YOEHRIQHSA-N 357.410 2.067 0 40 FEAB CN1CCC[C@@]2(CCN(C(=O)NCc3nccn3CC(F)(F)F)C2)C1 576205385 SVVCTZKDFNDQPA-OAHLLOKOSA-N 359.396 2.073 0 40 FEAB O=C(NCC(=O)N1CCn2c1nc1ccccc12)c1c[nH]c2ccccc12 49027748 JMEXUGKSANSUGX-UHFFFAOYSA-N 359.389 2.294 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@H](N2Cc3ccccc3NS2(=O)=O)C1 83351183 FIGOTWNVJMFWOM-ZDUSSCGKSA-N 353.444 2.168 0 40 FEAB COc1ccnc(N2CCN(Cc3ccc4oc(C(=O)O)cc4c3)CC2)n1 577617931 TZPXBSBHPZOPMT-UHFFFAOYSA-N 368.393 2.252 0 40 FEAB c1cncc(CN2CCOC[C@H]2c2nccc(NC3CCOCC3)n2)c1 96218686 VYBWMBVVOXKXJW-KRWDZBQOSA-N 355.442 2.036 0 40 FEAB Cc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)c3cncnc3)CC2)cc1 333429732 JXQJPXDLMJXJLJ-OAHLLOKOSA-N 352.438 2.310 0 40 FEAB Fc1ccc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)cc1 96049505 WBLMMAMIMMZBIJ-LJQANCHMSA-N 359.449 2.058 0 40 FEAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cc4C)C[C@H]3O2)n1 96217298 IKIZVTCSGBKVHK-BHYGNILZSA-N 359.401 2.227 0 40 FEAB COc1ccccc1-n1cc(C(=O)Nc2nc[nH]n2)c2ccccc2c1=O 95478418 ZNQNMTDXQYNRNY-UHFFFAOYSA-N 361.361 2.370 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 331796223 IQYXPNFCOJZSGN-LZQZEXGQSA-N 372.513 2.426 0 40 FEAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 96199936 JWPFBBOEVFFSIG-QGZVFWFLSA-N 353.397 2.499 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccsc1)C2 96230463 GYYXKFYBWDFFAW-IBGZPJMESA-N 373.453 2.451 0 40 FEAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1cccs1 247806929 BTPCCKRSUAOIID-KRWDZBQOSA-N 374.510 2.434 0 40 FEAB COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514116 BHPOCJHVOWCPCE-IPMKNSEASA-N 361.463 2.226 0 40 FEAB CC(C)(C)OC(=O)c1ccc(CNC(=O)C[C@@]2(C(=O)O)CCOC2)cc1 594660495 GKSHZPWQBFNRAO-IBGZPJMESA-N 363.410 2.140 0 40 FEAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 623268102 FMMAMXDAUAYLID-KUHUBIRLSA-N 371.481 2.291 0 40 FEAB O=C(C[C@]1(C(=O)O)CCOC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 634853701 YWPFTJXMRPHKLH-IFXJQAMLSA-N 361.394 2.003 0 40 FEAB COc1ccc(-n2ccc(C(=O)N3CCC[C@@H](n4ccnn4)CC3)n2)cc1 636183905 DSWUUPXUOZFFFP-OAHLLOKOSA-N 366.425 2.340 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cccc(OC(F)(F)F)c1 644070455 UYNXXRPRHYRKGU-YUELXQCFSA-N 358.360 2.303 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2nc(-c3ccco3)oc2C)C1 644119393 SKKBGUGAEGNJNL-OCCSQVGLSA-N 356.382 2.497 0 40 FEAB CN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)CCCNC2=O 678028135 LYLLPYZYXSYIKA-GOSISDBHSA-N 354.450 2.234 0 40 FEAB O=C(O)[C@@H](c1ccc(F)c(CO)c1)N1CCN(C2CCCCC2)CC1 95372830 WCBCULNHAFSZCZ-GOSISDBHSA-N 350.434 2.394 0 40 FEAB O=S1(=O)C[C@@H]2[C@@H](C1)N(Cc1ccccc1)CCN2Cc1ccccc1 575425008 WPVDFCJDJIQLQI-WOJBJXKFSA-N 356.491 2.170 0 40 FEAB C[C@@]1(C(=O)NCCO)CCCN1Cc1ccc(OCc2ccccn2)cc1 585271104 QWBHHRQFSDMQQQ-NRFANRHFSA-N 369.465 2.124 0 40 FEAB CNc1cc(C(=O)N2CC[C@H](OC)[C@H](Cc3cccc(F)c3)C2)ccn1 585276573 NEOONZAGTLOXJM-AEFFLSMTSA-N 357.429 2.982 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)C4CC(F)C4)C3)C2=O)n1 585100997 RFJXYJVXAWOZCR-PMTKGXAQSA-N 359.445 2.479 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(-n2cncn2)c(F)c1 56085121 YZVKLRXQZBAXPP-UHFFFAOYSA-N 367.340 2.343 0 40 FEAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O 5706611 YNALRCYEYVXNKE-CVEARBPZSA-N 363.458 2.098 0 40 FEAB COc1ccccc1-c1ocnc1C(=O)N1CCN(c2ncccn2)CC1 12144656 NKXFWUZYLGBKKQ-UHFFFAOYSA-N 365.393 2.103 0 40 FEAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200372 BQXIDUQOLMUKND-ZDUSSCGKSA-N 370.430 2.480 0 40 FEAB O=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)Nn2cnnc2)cc1 14405730 CBIWOZRRTNFHMA-UHFFFAOYSA-N 363.377 2.264 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](C)C2)cc1 16641715 KQEBIVASCICOLX-AWEZNQCLSA-N 354.472 2.012 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 17322101 IIVXCNQTCYTQEM-ZDUSSCGKSA-N 362.426 2.077 0 40 FEAB Cc1csc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c(=O)n12 19240377 FGRZZHWMAFBLIV-SECBINFHSA-N 370.390 2.036 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc3ncccc3c1)C2 19347047 APXOLEYHXSHMKW-UHFFFAOYSA-N 361.449 2.477 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)cn1C 225689228 PCGRREMNADDVQS-NSHDSACASA-N 357.501 2.179 0 40 FEAB CC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575656 XKCLLDXXZBWOOS-UHFFFAOYSA-N 374.481 2.313 0 40 FEAB Cc1cnccc1CNC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 645023969 AMCBMADIVZTKOA-GASCZTMLSA-N 361.348 2.402 0 40 FEAB Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2cn(C(C)C)cn2)cc1 547879845 YNUKBLMXSUUFFP-UHFFFAOYSA-N 351.428 2.442 0 40 FEAB Cc1cccnc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O 5922313 MXXAAROASKKDKA-UHFFFAOYSA-N 366.446 2.460 0 40 FEAB O=C([C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)N1CCSCC1 1888913395 LLBWFFPZGYRJBO-HNNXBMFYSA-N 374.428 2.482 0 40 FEAB CCN1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 32815755 RDEAZPFQJATPCK-SECBINFHSA-N 358.179 2.098 0 40 FEAB O=C(c1cccc(Cl)n1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 1614932434 CAOBTAKIUCAJDC-CQSZACIVSA-N 359.861 2.300 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnsn3)C2)cc1C 618256743 MDPDIPOIEITDEO-GFCCVEGCSA-N 369.468 2.087 0 40 FEAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncc(F)cn3)CC2)cn1 2298045515 JNRYPYBTFDPHMZ-UHFFFAOYSA-N 358.421 2.322 0 40 FEAB c1cc(N2CCN(Cc3cc(C4CC4)on3)CC2)nc(-n2cccn2)c1 2298064987 AYKLGWIKWNTZGM-UHFFFAOYSA-N 350.426 2.455 0 40 FEAB Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1C 17120345 GYAYGXHBFOHKHY-UHFFFAOYSA-N 350.426 2.134 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3C)CC2)nc1 30435540 HVNKISXFJSJKKA-UHFFFAOYSA-N 367.449 2.458 0 40 FEAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 101344808 WYVFDGXPLOJJKE-SJLPKXTDSA-N 360.373 2.174 0 40 FEAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(Cl)cc2)nc1CO 21172814 SLHUFVMFVBTUJK-UHFFFAOYSA-N 360.776 2.482 0 40 FEAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nc2c(s1)CN(C)CC2 32795561 JZDYVKNOOSLDIK-MMQHEFTJSA-N 370.478 2.288 0 40 FEAB COC(=O)CCCCCCNC(=O)c1sc2ncn(C)c(=O)c2c1C 32900483 KPWZMPZPDVZDHB-UHFFFAOYSA-N 365.455 2.157 0 40 FEAB CCc1nc(COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cs1 32905517 MLJQXXJWNQTLRS-UHFFFAOYSA-N 365.455 2.249 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(F)cc1 803340 DOZIABRPNPCSGH-UHFFFAOYSA-N 362.426 2.177 0 40 FEAB COc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(O)cc2)NC(=O)N3C)cc1 2336209 GGTQYGNHFASYAH-GOSISDBHSA-N 365.389 2.398 0 40 FEAB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccnc3)c2C(N)=O)C1 2375952 GPWMRUMQTSLHLM-VIFPVBQESA-N 374.491 2.494 0 40 FEAB C[C@@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1CCCO1 2778598 LZNFDTKKZQEAQH-RNFRBKRXSA-N 370.169 2.499 0 40 FEAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NC1CCCC1 4166337 BLALTGYKLQQKDU-UHFFFAOYSA-N 368.466 2.421 0 40 FEAB NC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4340014 RMXIAYXKCIHPOP-UHFFFAOYSA-N 363.325 2.431 0 40 FEAB biogenic COc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)cc2=O)cc1 4496066 BXOBAHMKMHHQSE-UHFFFAOYSA-N 367.409 2.002 0 40 FEAB CCN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 4504774 WUOWHMQWEBJBKO-LLVKDONJSA-N 366.266 2.408 0 40 FEAB CCNC1=N[C@H](NCC)N2C(SCC(=O)c3ccccc3)=CN=NC2=N1 4528822 VRAAVQLTVOHHLQ-INIZCTEOSA-N 371.470 2.397 0 40 FEAB C[C@@H]1CN(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)C[C@@H](C)O1 5154869 KZJROJHBMUNGHZ-CHWSQXEVSA-N 359.451 2.165 0 40 FEAB N[C@H](CCC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 5685279 AOUQQKUEQYCBGY-QGZVFWFLSA-N 368.389 2.244 0 40 FEAB Cc1csc2nc(CSc3nnnn3-c3cccc(F)c3)cc(=O)n12 5796584 CKCHQSDJORNAKZ-UHFFFAOYSA-N 374.426 2.472 0 40 FEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1coc(-c2ccccc2)n1 5938700 WCABEDIJQKBFGD-UHFFFAOYSA-N 355.375 2.191 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1F 7427179 YEMWXVJWSWEZJL-LJQANCHMSA-N 356.353 2.484 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8163018 VVASJAQLYRJFMU-UHFFFAOYSA-N 351.328 2.356 0 40 FEAB Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1C1CC1 9376483 GXJHEUNHSMBRMK-UHFFFAOYSA-N 359.455 2.232 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OCC(C)C)c(OC)c1 9536296 WLEFIPGIEYKEAU-LBPRGKRZSA-N 366.414 2.121 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10366086 BVDMRHKQAQIFFV-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB O=C(CN1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)NC1CCCCC1 12087305 ILZYOJHYJYCPEY-OAQYLSRUSA-N 371.481 2.092 0 40 FEAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CCc1c(C)n[nH]c1C 12142068 YZHUPDOBGKBUJD-CQSZACIVSA-N 356.426 2.462 0 40 FEAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cscn3)CC2)n1 12142947 ISDWXVMWRNRCHU-UHFFFAOYSA-N 373.482 2.098 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146234 YKHQXHVNESJNKA-KYJSFNMBSA-N 369.465 2.333 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3ccnn3C)nn2c1O 12161842 MTSNEGCPQZMJFW-OAHLLOKOSA-N 368.441 2.407 0 40 FEAB CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 12291417 DSKBJTGIUKSWGY-SFHVURJKSA-N 352.500 2.164 0 40 FEAB CN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2C1=O 13012732 DORUJTYAOVVLHM-KRWDZBQOSA-N 350.374 2.126 0 40 FEAB CC(C)(C)C(=O)NC(=S)NC1=C[C@@H]2N=C(c3ccncc3)O[C@@H]2C=C1 16322699 PMOMCCJENVVISL-UONOGXRCSA-N 356.451 2.086 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c1 19234804 PDAJDLSDIUSNKP-KRWDZBQOSA-N 350.466 2.332 0 40 FEAB COc1cccc(-c2cnc(N3CCOCC3)nc2-c2nccn2C)c1 19291600 QCHIJCZHSGFLBK-UHFFFAOYSA-N 351.410 2.389 0 40 FEAB COc1ccc2nc(N3CN(Cc4ccccc4)CN=C3N)nc(C)c2c1 19325395 QWOXWLYDPIMGFV-UHFFFAOYSA-N 362.437 2.499 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19554304 WHVSTVRTIFOSDH-GOSISDBHSA-N 352.438 2.037 0 40 FEAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c3c(cnc21)C(=O)CCC3 19962374 ZBRHVOYOQUCEQM-UHFFFAOYSA-N 369.808 2.316 0 40 FEAB Cc1ccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 22230423 HQGWTKNVSOEBKL-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)c1C 24824092 UDXFBXMMWNFCMH-UHFFFAOYSA-N 353.382 2.343 0 40 FEAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 27222719 VYEGMFGHFHMBSM-UHFFFAOYSA-N 364.409 2.397 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)c2ccccc2S(C)(=O)=O)cc1 30514769 YLZGPSIWXMGCFN-UHFFFAOYSA-N 361.419 2.149 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)cc1OCC 32740497 MZCXTBKSCMAPPR-BLLLJJGKSA-N 373.471 2.350 0 40 FEAB Cc1cccc(CN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 36080483 ABKRSMAGBJKBIY-RBUKOAKNSA-N 370.474 2.009 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 40012855 FRZYENBDDMQIJH-INIZCTEOSA-N 370.453 2.210 0 40 FEAB O=C(NCc1cccnc1-n1cccn1)Nc1cccnc1-n1cccn1 48196529 XNRWIXUAVIMEAH-UHFFFAOYSA-N 360.381 2.170 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C1 48286141 CFHKBCKKJSPRDH-OAHLLOKOSA-N 352.504 2.138 0 40 FEAB Oc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 52798420 RJFBFEGSLDTVCX-GOSISDBHSA-N 356.422 2.019 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 55546961 OESLPHCJILKSLO-UHFFFAOYSA-N 351.380 2.048 0 40 FEAB CN1CCN(C(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1 56290885 CAZZMDQJHONQIX-UHFFFAOYSA-N 353.422 2.092 0 40 FEAB COc1ccc(OC[C@H](O)CSc2nnc(C(F)(F)F)n2C)cc1 58171150 BVCUBJOBNMEORD-VIFPVBQESA-N 363.361 2.375 0 40 FEAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 58357725 CJJXICAXBPAAPW-CQSZACIVSA-N 358.360 2.266 0 40 FEAB Cc1nnnn1-c1ccccc1C(=O)NCCn1ccc2ccc(F)cc21 72401014 MBGRIMAFPZKGEO-UHFFFAOYSA-N 364.384 2.495 0 40 FEAB CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1ccc2c(c1)nnn2C 76041255 FGSIOBBRMSBJJM-FQEVSTJZSA-N 366.421 2.263 0 40 FEAB O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)NCc1ccco1 77118257 SGKNRKUSYCEECG-GOSISDBHSA-N 352.390 2.289 0 40 FEAB COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2CCC(N)=O 77453172 CBSSOQCKGSIVHT-WMZOPIPTSA-N 365.433 2.027 0 40 FEAB CC(=O)Oc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1 79059131 VGOHXTPIORXGJQ-UHFFFAOYSA-N 367.449 2.368 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccn3ccnc3c2)cc1 79111029 DVHPSAMCXHSKKE-UHFFFAOYSA-N 358.423 2.161 0 40 FEAB Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 84062080 WALHEUXGJUKJSS-GFCCVEGCSA-N 359.517 2.119 0 40 FEAB COc1ccc2c(ccn2CCC(=O)NCCc2nnc3ccccn23)c1 95473215 SJFSRFIPKZCYDX-UHFFFAOYSA-N 363.421 2.442 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc[nH]n1 95998505 WPOSMTJKTLMTGU-SFHVURJKSA-N 365.437 2.485 0 40 FEAB COc1cccc(CN2CCC[C@H](c3[nH]ncc3NS(C)(=O)=O)C2)c1 96000007 YYGXTYOSCCFMDF-AWEZNQCLSA-N 364.471 2.169 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96042802 BZCDMRLQNPMLIF-QXAKKESOSA-N 355.438 2.313 0 40 FEAB CN(C)C(=O)CO[C@@H]1CCC[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]21 96054606 RWLFQVUDASTYRS-CEXWTWQISA-N 358.482 2.351 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96076477 WVBOKJIHQOPZMJ-FQEVSTJZSA-N 352.438 2.236 0 40 FEAB O=C(Nc1cnn(C2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 96104602 AKQNRAATEUAELN-CYBMUJFWSA-N 372.400 2.365 0 40 FEAB COc1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 96993928 AMOMRKWTUXETDZ-UHFFFAOYSA-N 351.878 2.089 0 40 FEAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccnc(-n3cccn3)c2)C1 98030389 YCHNKCQNPQJYSD-HZPDHXFCSA-N 356.474 2.187 0 40 FEAB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(O)cc1)C1=C(O)c3ccccc3C1=N2 100632654 VTOIWHGYZDGCRG-CQSZACIVSA-N 373.368 2.328 0 40 FEAB CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H](C(=O)c3cccs3)N2c2ccccc21 103461255 WTEMHUNGHRHHAV-SVGFKBNWSA-N 364.426 2.494 0 40 FEAB C[C@H]1Cc2cc(S(=O)(=O)NCc3ccnc(-n4cccn4)c3)ccc2O1 106227449 YLRVOVNWPPOAAO-ZDUSSCGKSA-N 370.434 2.069 0 40 FEAB CCOC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC 218208836 HWYPYRVZECPIFU-HZSPNIEDSA-N 362.289 2.084 0 40 FEAB CC1CCN(C(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 224462184 FCSZQVWUDDQYSW-LBPRGKRZSA-N 360.426 2.378 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2F)cc1 224862681 VWFIPBPUDIVVLD-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB O=C(N1CC[C@@H](Oc2cnccn2)C1)C1(c2ccccc2)CCOCC1 225794261 CRBBWLFPHGUBLT-QGZVFWFLSA-N 353.422 2.205 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](CCOc4nccc(C)n4)CCO3)C2)on1 253600611 UMPYRKMGYCEPBH-OAHLLOKOSA-N 372.425 2.172 0 40 FEAB CCOCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257203095 AORHXIWVGNXIFB-SFHVURJKSA-N 368.861 2.240 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 257219565 DHGCVURRHGGXON-SFHVURJKSA-N 355.438 2.284 0 40 FEAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccsc3)CC2)cn1 257236811 HDWJLKKDEOVDGB-UHFFFAOYSA-N 358.467 2.269 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CC[C@H]([C@@H]2CCOC2)C1 333102932 VQURMSWLIOTTGD-DLBZAZTESA-N 354.454 2.483 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408591319 KZYOSWYYWZQFLE-UHFFFAOYSA-N 355.460 2.019 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408593992 RFJLVJCJRRWULN-CQSZACIVSA-N 356.488 2.447 0 40 FEAB CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)COC2CCCCC2)C1 502499442 FTRDDSLYCNSXIQ-OCCSQVGLSA-N 350.381 2.394 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 585095827 NYMYRRLBTKYACD-XPKDYRNWSA-N 358.467 2.190 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 585102884 GHYKRAXPTOCDAH-QGZVFWFLSA-N 364.461 2.273 0 40 FEAB CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2C)C3)C1 585112592 RQFVKXRKIBCMSV-INIZCTEOSA-N 355.438 2.402 0 40 FEAB Cc1noc([C@H]2CN(C(=O)CCc3nc4ccccc4o3)C[C@@H](C)O2)n1 628862124 NIXMHDNJWZCDHV-IAQYHMDHSA-N 356.382 2.440 0 40 FEAB CN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@@H](CO)Cc1ccccc1 636167332 GSXFNOOKUVASLB-CYBMUJFWSA-N 354.328 2.482 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c2ncccc12 654774368 WPLTXWCEHNJZJB-GFCCVEGCSA-N 364.423 2.119 0 40 FEAB O=C(Nc1cccc2c1CCNC2=O)N[C@H]1CCCc2nc(O)ccc21 1562940218 NOWQELAEAOYDPV-INIZCTEOSA-N 352.394 2.272 0 40 FEAB Cc1nc(CN2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)Cc3cccnc32)cs1 1565548548 DZNPNHDWBYXGMF-FVQHAEBGSA-N 370.478 2.088 0 40 FEAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)[C@]1(C)CC=CCC1)C2 1565551836 KZICFEBVTBLMOQ-OAQYLSRUSA-N 371.481 2.318 0 40 FEAB Cn1cnc(C(=O)N2CCc3sc(COCc4cccnc4)cc3C2)n1 1565553694 BYDPHAJKKULFRO-UHFFFAOYSA-N 369.450 2.187 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@]1(C)CC=CCC1)C2 1565555451 IBDSLYBCNOOILJ-NHCUHLMSSA-N 368.481 2.078 0 40 FEAB O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158347 MEDOTZZWTMNQAA-IBGZPJMESA-N 358.369 2.457 0 40 FEAB O=C(CSc1ccc(F)cc1)N1CCN(c2nccs2)C(=O)C1 1775965842 LZAZWDJETCIMKP-UHFFFAOYSA-N 351.428 2.250 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4nccn5nc(C)cc45)C[C@@H]3C2)c1F 1888897352 IPCGEWOWHBDHKB-ZIAGYGMSSA-N 367.432 2.102 0 40 FEAB Cc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037980771 HZQGBNRTSUGOGD-QWFCFKBJSA-N 355.413 2.012 0 40 FEAB CC1(C)NC(=O)N(C[C@H](O)COc2ccccc2-c2ccccc2)C1=O 787151 XUTQNNVXBRNGBH-HNNXBMFYSA-N 354.406 2.424 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 807318 ZSGLWJRCCMEEPV-CYBMUJFWSA-N 366.439 2.052 0 40 FEAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)COc1ccc2c(c1)OCO2 1470032 RCKHORNCEOONEF-CQSZACIVSA-N 351.443 2.169 0 40 FEAB Cc1ccccc1OCC(=O)NCCCNC(=O)COc1ccccc1C 2136104 VPQQWJFMQYQZNI-UHFFFAOYSA-N 370.449 2.384 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cnccn1 2379866 MWQQOSKVESVRHJ-UHFFFAOYSA-N 362.365 2.281 0 40 FEAB CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)S(=O)(=O)CC)c1C 2492558 XLSRDBYGGUHYBC-AWEZNQCLSA-N 372.487 2.139 0 40 FEAB CCOC(=O)c1c(SCC(=O)Nc2ccccc2F)nc(=O)[nH]c1C 4317595 IPAYWJGGHQWJPQ-UHFFFAOYSA-N 365.386 2.125 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468802 WLOAFTWTEWAZJX-OAQYLSRUSA-N 369.465 2.419 0 40 FEAB Cc1csc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 4479725 XYXVVHYVQFPULM-NSHDSACASA-N 374.422 2.150 0 40 FEAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)NC(N)=O)n1 4798131 HYGLQKNXBQSHNY-UHFFFAOYSA-N 365.436 2.096 0 40 FEAB COc1ccc(CNC(=O)c2nnn(Cc3ccccc3C)c2N)cc1 4852660 HAOXXVZBZVQBIR-UHFFFAOYSA-N 351.410 2.156 0 40 FEAB CNC(=S)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 4909886 LTTOTIUTEBDEKG-UHFFFAOYSA-N 350.532 2.223 0 40 FEAB CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C 5272447 MWCPAXRABAWLED-UHFFFAOYSA-N 358.419 2.193 0 40 FEAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 5413900 IXZDKCYLCSJLPA-YOEHRIQHSA-N 364.486 2.073 0 40 FEAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)n1 5680443 KLNYMKCLIFBTCW-UHFFFAOYSA-N 370.434 2.389 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccccc1 7295851 YUGGDRDDKTVACN-ZDUSSCGKSA-N 356.353 2.361 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O 8110855 DFSFXYFJMBDCDM-UHFFFAOYSA-N 360.844 2.097 0 40 FEAB CCn1c(Cc2ccccc2)nn(CN2CCCC[C@H]2C(N)=O)c1=S 8734106 AGSPQAUUSALFBL-HNNXBMFYSA-N 359.499 2.322 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccsc1 8863654 GJTPSMVNMZZFPW-AWEZNQCLSA-N 353.394 2.384 0 40 FEAB CSCC[C@@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 9156686 BXRLEMJTNJGFPM-OAHLLOKOSA-N 356.451 2.335 0 40 FEAB COc1ccc(C(=O)NC(=O)COC(=O)COc2cc(C)ccc2C)cc1 9218059 HJRZKAGLYYELSN-UHFFFAOYSA-N 371.389 2.191 0 40 FEAB COc1cc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)cc(OC)c1 9420526 NTISCJPTOLQAHB-UHFFFAOYSA-N 362.777 2.074 0 40 FEAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-n2cnnn2)cc1 9594615 GRPXINBKBYKORN-UHFFFAOYSA-N 362.437 2.188 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)ccn1 10165305 ZKBCKQGOIZNRIQ-UHFFFAOYSA-N 374.447 2.254 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccccc1F 10297489 GJRWOULLGNEXTD-AWEZNQCLSA-N 351.301 2.263 0 40 FEAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CCC(N)=O)C2)on1 12121235 ZAHFGAYMWFEFPY-AWEZNQCLSA-N 368.441 2.056 0 40 FEAB Cc1cccc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)c1C 12422891 RFYQDXDZDJGREG-CQSZACIVSA-N 372.450 2.158 0 40 FEAB Cc1cc(N)nc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 12534268 LHLBFYXVVBRQLY-UHFFFAOYSA-N 357.439 2.223 0 40 FEAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC)CC 12949047 NTGVUGQLBADSLC-DOMZBBRYSA-N 351.472 2.008 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccc(-c2nnco2)cc1 13098841 ZKHFHYYLAFURLU-GJZGRUSLSA-N 369.377 2.207 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 16642387 NQJMPLNDHGLKJE-CABCVRRESA-N 368.474 2.485 0 40 FEAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cncn2)cc1 18158546 HKVUMGJNEMWQGQ-CYBMUJFWSA-N 370.434 2.162 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)c2sccn12 19240737 DPYAQWHXGIWLJU-CQSZACIVSA-N 358.471 2.482 0 40 FEAB COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(C)c3)C2)CC1 19299719 APOJHXWXNLMGFA-LJQANCHMSA-N 369.513 2.215 0 40 FEAB O=C([C@H]1OCCc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19375461 HMSAMJJEWBXTRA-OALUTQOASA-N 364.449 2.100 0 40 FEAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)[C@H]1CCCO1 19583433 UIXOYDCTHMEINU-GOSISDBHSA-N 360.433 2.046 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(c2ccccc2Cl)=NO1 19661843 PBJUNMTZRWMKEQ-HNNXBMFYSA-N 373.844 2.467 0 40 FEAB CSc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)CCCC3 19822030 HZJLHBTULBKPAZ-UHFFFAOYSA-N 364.540 2.406 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 20041521 SJFSMZODWWTOEE-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB COc1cc(CNCCNC[C@H](C)O)ccc1OCCc1ccccc1 22107701 SXGSKEQAZPEIGN-KRWDZBQOSA-N 358.482 2.377 0 40 FEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24677703 SCOKTEOLPONLMK-OCCSQVGLSA-N 374.890 2.038 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H]1CCN(c3ccccc3)C1)CS2 27837681 VMSWFRNJECMQJZ-QOKNQOGYSA-N 359.495 2.083 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 30808002 ZLMISYHNVPOGJS-UHFFFAOYSA-N 365.437 2.182 0 40 FEAB CC[C@@H](C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1)c1ccccc1 30866445 MBCVTWVRHIJVRP-QGZVFWFLSA-N 364.453 2.275 0 40 FEAB CC(=O)NCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32747516 GROVFQDLUJVZES-UHFFFAOYSA-N 373.478 2.118 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 36844538 FSHVVNBFJAPEJO-KRWDZBQOSA-N 365.433 2.076 0 40 FEAB C[S@](=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 40050274 ZOIFGIBYSIVUGL-XMMPIXPASA-N 352.456 2.117 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3ccc(C)cc3)nc2s1 41078223 FOSVYIPJYZMIAU-UHFFFAOYSA-N 359.407 2.353 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CC(c2ccccc2)=NO1 41775943 RRAHVCAYWRUCGT-QGZVFWFLSA-N 364.357 2.019 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c2ccccc21 42043040 JHKMUZIBVFBBGV-CQSZACIVSA-N 363.483 2.205 0 40 FEAB Cn1ncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1-n1cccc1 43085630 LFIXWLIGFUPECE-UHFFFAOYSA-N 353.401 2.312 0 40 FEAB O=S(=O)(NC[C@H]1CCCNC1)c1ccc(Br)cc1Cl 44502379 KGEVUFHVSCWLTQ-VIFPVBQESA-N 367.696 2.380 0 40 FEAB CCCn1nc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)c2ccccc2c1=O 45571654 VCCOGODPJJLGMZ-UHFFFAOYSA-N 366.303 2.196 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1 56264830 VWIUYOYROVDITO-UHFFFAOYSA-N 366.483 2.112 0 40 FEAB Cc1cccc(OC[C@@H](O)CNC(=O)c2csc(-c3cnn(C)c3)n2)c1 57442986 NPNBJFCRUPRFPY-AWEZNQCLSA-N 372.450 2.022 0 40 FEAB O=C(OCC(=O)c1ccc(O)cc1O)c1cnn(-c2ccccc2F)c1 57575827 GEZMZVYRFJWXNX-UHFFFAOYSA-N 356.309 2.462 0 40 FEAB COCCCNC(=O)C1CCN(C(=O)CSc2ccc(C)cc2)CC1 58194546 GRAZELYVIDVHKT-UHFFFAOYSA-N 364.511 2.478 0 40 FEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@H](C)C(C)C)c1 58201416 PRLAEJQQHJGAAY-ABZNLYFFSA-N 371.455 2.213 0 40 FEAB CN1C(=O)N(CC(=O)OCCCc2ccncc2)C(=O)C12CCCCC2 60636947 VCWZECWTIYRKOJ-UHFFFAOYSA-N 359.426 2.154 0 40 FEAB Cc1cc(=O)oc2c(NC(=O)C(=O)NCc3ccccc3F)c(O)ccc12 61718060 BGOJSHQHEIQNKI-UHFFFAOYSA-N 370.336 2.201 0 40 FEAB O=C(O)[C@H]1CS[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1 64219247 BEQBUZLTZXPWID-IAGOWNOFSA-N 355.415 2.458 0 40 FEAB Cc1cc(C(=O)Oc2ccc(S(C)(=O)=O)cc2)ccc1N1CCNC1=O 66510183 CINQNUHENYKBGE-UHFFFAOYSA-N 374.418 2.147 0 40 FEAB O=C(Nc1nncs1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71282596 HBUARJKLQRABGK-UHFFFAOYSA-N 372.859 2.374 0 40 FEAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN(C)C)C1 72384269 BNUZGUQPCGHAGR-HNNXBMFYSA-N 355.442 2.240 0 40 FEAB COC(=O)C[C@@H](c1c(O)cc(C)[nH]c1=O)c1c(Cl)nc2sccn12 72405588 FSCHPFKDOIGKCQ-QMMMGPOBSA-N 367.814 2.447 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CN2C(=O)[C@@H]3CCC[C@H]32)CC1 75148710 GTIPSEZLQNBSLM-IAGOWNOFSA-N 370.449 2.321 0 40 FEAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccsc1 75165296 YNPSMMYECKFUEG-UHFFFAOYSA-N 354.435 2.403 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)nn1 77197906 ZJRQAGOIXDOVLU-LLVKDONJSA-N 372.429 2.493 0 40 FEAB CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(Br)ccc1F 78682048 FSKPMBHGBXARLL-QMMMGPOBSA-N 352.225 2.141 0 40 FEAB COCc1n[nH]c(-c2cccc(NC(=O)CCc3cc(OC)no3)c2)n1 79488123 KYRWIZCFDSFKJH-UHFFFAOYSA-N 357.370 2.186 0 40 FEAB Cc1cccc(Oc2ncccc2NC(=O)C(=O)N2CCC[C@H](O)C2)c1C 84219226 NGHUITTYTOIEIE-HNNXBMFYSA-N 369.421 2.413 0 40 FEAB COc1ccc(C)cc1-n1nnc(C(=O)O)c1CSc1ncccn1 85398269 MOORVMBOKNJCNH-UHFFFAOYSA-N 357.395 2.365 0 40 FEAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cnc3ccccn23)cc1OC 95416188 DLOHICVCUVBVSH-UHFFFAOYSA-N 374.422 2.357 0 40 FEAB COCCC1(NCCOc2ccc(S(=O)(=O)N(C)C)cc2)CCCC1 95454713 YLBVUDNNJKKZJN-UHFFFAOYSA-N 370.515 2.255 0 40 FEAB COCCCCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 95461298 DIMAZFCLKUYYCQ-UHFFFAOYSA-N 373.457 2.046 0 40 FEAB CN(C)C(=O)C1(CNC(=O)Nc2cccc(N3CCOC3=O)c2)CCCC1 95959258 JSVBQUXLMOOBAD-UHFFFAOYSA-N 374.441 2.413 0 40 FEAB COc1ccc(/C=C/C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OC 95969966 CSETXDXZMBSIBL-CSKARUKUSA-N 367.401 2.455 0 40 FEAB O=C(c1ccco1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999154 XDQIGJCAAFOXQU-OAHLLOKOSA-N 360.435 2.277 0 40 FEAB Cc1cccc(CN2C(=O)CCC23CCN(S(=O)(=O)C2CC2)CC3)c1 96049447 LXPVGDNPMMYFKI-UHFFFAOYSA-N 362.495 2.444 0 40 FEAB COCC(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242637 HJQOEHKZLPSUJN-UHFFFAOYSA-N 370.428 2.143 0 40 FEAB CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCCN(C)CC2)C(C)C)cc1 97617770 UDGLXEMWERKVAP-GOSISDBHSA-N 361.486 2.004 0 40 FEAB CC1(C)[C@H]2CC=C(COC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)[C@@H]1C2 107493495 HJAYXBUEHLIYJT-AJLLXUMYSA-N 355.434 2.329 0 40 FEAB CC(C)NC1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 111835257 PHGBUIMSOWJZLQ-UHFFFAOYSA-N 372.513 2.481 0 40 FEAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@H](n2cncn2)C1 174259860 DNYOIGSOOAUIOD-SFHVURJKSA-N 354.458 2.294 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1 222744662 QCTHDATVMDMDSX-UHFFFAOYSA-N 374.875 2.265 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)C1CCN(c2ncccn2)CC1 225411356 VKAZICGGDJNPHG-QZTJIDSGSA-N 357.502 2.074 0 40 FEAB biogenic O=C(CCc1ccccc1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247873273 RWFJSFOZGUTQTF-QGZVFWFLSA-N 353.422 2.248 0 40 FEAB Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)n1 257216356 CUFAXWIHDIFAGY-HNNXBMFYSA-N 354.414 2.084 0 40 FEAB Cc1ccccc1CC(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257339576 ZCJGDCVUSKWNJX-NRFANRHFSA-N 353.466 2.422 0 40 FEAB O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 275208667 CBPOZYGHIKUQGE-NSHDSACASA-N 363.382 2.206 0 40 FEAB Cc1cc(C)cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)c1 306131565 KITAMLQVUAUCKQ-DLBZAZTESA-N 365.481 2.091 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccncc1 408561638 UMSVTAOSGNFLRI-AWEZNQCLSA-N 369.446 2.218 0 40 FEAB COc1cc(Br)ccc1CN1CCN(C[C@@H](C)O)C[C@H]1C 551584726 NABLGLFVNZWXHB-CHWSQXEVSA-N 357.292 2.345 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 569105310 HELPMRSJUGFPRM-CQSZACIVSA-N 360.421 2.846 0 40 FEAB O=C(NCC[C@H]1CCCO1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 583623967 QXNZEVJHJCQTRA-IAGOWNOFSA-N 374.485 2.414 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cscn1 585111795 BXRQCVUQNUEYEC-OAHLLOKOSA-N 368.466 2.112 0 40 FEAB Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(C(N)=O)n[nH]3)C1)CCCC2 585271245 LWGASEGRFJTZRT-GFCCVEGCSA-N 356.426 2.309 0 40 FEAB O=C(NCCc1ccc(-n2cccn2)cc1)N1CCO[C@@]2(CCCOC2)C1 606442244 NLKNQZSRNFLVLB-FQEVSTJZSA-N 370.453 2.006 0 40 FEAB O=C(Cc1ccc2c[nH]nc2c1)N1CCc2nnc(N3CCCC3)cc2C1 621239047 UFUKQVHIBCRFHT-UHFFFAOYSA-N 362.437 2.081 0 40 FEAB Cc1cccc2c(CCNC(=O)[C@@H]3CC[C@H](C(=O)O)N3C3CC3)c[nH]c12 630656904 JXTCFEXISCYPNR-DLBZAZTESA-N 355.438 2.215 0 40 FEAB C[C@H](NC(=O)c1cc2ncccn2n1)C1CCN(CC(F)(F)F)CC1 632666856 GJOQLBXQANUSPY-NSHDSACASA-N 355.364 2.122 0 40 FEAB O=C(C[C@]1(C(=O)O)CCOC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 634853700 YWPFTJXMRPHKLH-AUUYWEPGSA-N 361.394 2.003 0 40 FEAB O=S(=O)(CC[C@H]1CCc2ccccc21)N1CCC(Cn2ccnn2)CC1 641395394 XNIMVLCBSXNAGS-GOSISDBHSA-N 374.510 2.440 0 40 FEAB Cn1cc(N2CCN(C(=O)C(F)(F)c3ccc(Cl)cc3)CC2=O)cn1 1116210001 FZUIALOMYSXDHI-UHFFFAOYSA-N 368.771 2.041 0 40 FEAB C[C@]1(C(=O)N2C[C@H]3OC[C@@H](CC(=O)N4CCCCO4)[C@H]3C2)CC=CCC1 1565548285 AUSUXGNWCMUCKM-VIPLHTEESA-N 362.470 2.150 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158093 QGTKLOUQBKMIBV-IBGZPJMESA-N 373.384 2.160 0 40 FEAB COc1ccc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c(OC)c1 2037983754 DRNOEYFDPFVQMY-HXUWFJFHSA-N 362.470 2.163 0 40 FEAB Cn1cccc1C(=O)NCCNC(=O)c1occc1COc1ccccc1 23003371 CHXYEMWTIMJPEI-UHFFFAOYSA-N 367.405 2.357 0 40 FEAB CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 24032377 NRVAKHYFRKQGJN-SFHVURJKSA-N 371.437 2.350 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 7940219 HHQLJMZPPXFHMK-AWEZNQCLSA-N 374.437 2.358 0 40 FEAB C[C@@H](NC(=O)CSCC(=O)N1CCCCC1)c1nc2ccccc2[nH]1 12507057 AYTGLYBNZFMXSQ-CYBMUJFWSA-N 360.483 2.486 0 40 FEAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc[nH]c1=O 24974704 STJSFJIUBPXBPY-UHFFFAOYSA-N 354.406 2.388 0 40 FEAB CS(=O)(=O)N1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 24924705 FQSSIIIXQRUNGW-UHFFFAOYSA-N 369.874 2.462 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 12604179 SJUYMMYAXDQWNM-INIZCTEOSA-N 350.357 2.350 0 40 FEAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974622 KXORPBPMQUSEAZ-LBPRGKRZSA-N 374.890 2.276 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cn1 48272190 CRRVCZMMVNHWGG-CYBMUJFWSA-N 361.833 2.066 0 40 FEAB COc1ccc(S(=O)(=O)NCCCc2nc(CC(C)C)no2)cc1F 58003871 OCOOSOAMLXAKOF-UHFFFAOYSA-N 371.434 2.327 0 40 FEAB Cc1cc(O)c(-c2ccnc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c23)c(=O)o1 102273512 BEPTXFYJCPXEEL-SNVBAGLBSA-N 368.393 2.189 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 58269828 ZMMBWLQUMXXNDQ-UHFFFAOYSA-N 352.390 2.372 0 40 FEAB Cn1c(=O)n(CC(=O)Nc2nccn2Cc2ccccc2)c2ccccc21 58223239 LJGBTYALPLEOAE-UHFFFAOYSA-N 361.405 2.224 0 40 FEAB C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 2179218 SWDRLJHGCIGFTJ-ZDUSSCGKSA-N 350.415 2.469 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 27836953 ZXOHFTXVMZZMCQ-NWDGAFQWSA-N 364.389 2.446 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 58369246 OJLCFZDNYBAGOV-CABCVRRESA-N 369.508 2.217 0 40 FEAB CCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)cc1 22274424 NTCULOXDUKKBBG-UHFFFAOYSA-N 362.451 2.369 0 40 FEAB CC(C)CC(=O)N[C@H](C(=O)N1CCCN(c2nccs2)CC1)C(C)C 48356440 VRIJLRWTGDJWGJ-INIZCTEOSA-N 366.531 2.369 0 40 FEAB O=C(Cn1cnnn1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12822841 UYNXKKJZHGINDQ-UHFFFAOYSA-N 368.344 2.378 0 40 FEAB Cc1noc(C)c1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 172363467 XYWPLXCGFBVAQD-UHFFFAOYSA-N 355.398 2.464 0 40 FEAB Cc1nc2c(cc1C(=O)NCCN1CCc3ccccc3C1)c(C)nn2C 29957929 MGDQDJFTCFOXMF-UHFFFAOYSA-N 363.465 2.373 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1F 3427805 FLOKAPAWHXKNGW-UHFFFAOYSA-N 350.390 2.312 0 40 FEAB Cc1cccc(CSCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3451785 YFJSYMAFVYHNJV-UHFFFAOYSA-N 364.492 2.192 0 40 FEAB O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12906924 GQEXGGWGZWVALD-QMMMGPOBSA-N 367.228 2.292 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(F)cc1)O2 38849311 HVNKHVYDMOXZMK-INIZCTEOSA-N 364.398 2.300 0 40 FEAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCc3ccco3)cc2s1 13689567 NELFULHTMFPCHK-UHFFFAOYSA-N 351.409 2.191 0 40 FEAB CCOC(=O)CCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 9256896 BWSGSYUEDTXGLA-UHFFFAOYSA-N 361.225 2.183 0 40 FEAB COCCN(CC(=O)N(C)C)c1cnc2cc(Cl)c(Cl)cc2n1 96007471 JBEFRFYLHHCFBL-UHFFFAOYSA-N 357.241 2.478 0 40 FEAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)NC3CCCCC3)c(=O)n12 65196703 QRSBZBPQOPVROM-UHFFFAOYSA-N 365.437 2.315 0 40 FEAB O=C1CSc2ccc(C(=O)NCCCOC[C@H]3CCCO3)cc2N1 13986139 IOSMSEPSIWPBGW-CYBMUJFWSA-N 350.440 2.046 0 40 FEAB O=C(CCc1nnc2ccccn2c1=O)N1CCc2c([nH]c3ccccc23)C1 96114133 FXHFUPABNBTRIV-UHFFFAOYSA-N 373.416 2.088 0 40 FEAB biogenic O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1F 4846640 HYULWJCGLRUHLV-UHFFFAOYSA-N 368.773 2.262 0 40 FEAB CC(C)(C)OC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 6906294 GTVJMALVNJAUHR-UHFFFAOYSA-N 356.473 2.277 0 40 FEAB COc1cc2nc(CSC3=N[C@H]4CCCC[C@@H]4N3)[nH]c(=O)c2cc1OC 9478028 YTIIQYMXVIFUEL-RYUDHWBXSA-N 374.466 2.444 0 40 FEAB Cc1nn(C)c(C)c1/C=C(/C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 8391758 WJIXOLGUQHPXOS-FOWTUZBSSA-N 365.437 2.313 0 40 FEAB O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 69482717 CZCCQQVCSBFDEK-UHFFFAOYSA-N 352.456 2.226 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)N(Cc1ccccc1F)C1CC1 8504304 JARBMVOPYBZFTD-UHFFFAOYSA-N 362.430 2.329 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Br)cn1 8661070 HEEGDLZIFFPGBH-UHFFFAOYSA-N 359.183 2.193 0 40 FEAB CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@@H]1c1ncon1 95981335 WMMOIWLIZOGEFQ-GFCCVEGCSA-N 369.219 2.428 0 40 FEAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCN(C)CC2)o1 21659765 ONMCFRGTFWIWPT-GOSISDBHSA-N 357.454 2.072 0 40 FEAB CCN1CCN(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1 20449348 PKFDLTRYKFULLE-UHFFFAOYSA-N 372.494 2.090 0 40 FEAB O=C(NCc1cn2ccccc2n1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 127970253 OGQJLVLTOAQTRO-CRAIPNDOSA-N 353.470 2.493 0 40 FEAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218546215 XMOZQAIUUQOTIE-XYJFISCASA-N 364.394 2.483 0 40 FEAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(N)=O)CC3)c12 72336025 KIMRNQKGDSILCB-UHFFFAOYSA-N 371.485 2.492 0 40 FEAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccco1 71980591 AAQDJZRSRLHPFV-MRXNPFEDSA-N 370.405 2.198 0 40 FEAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)c(OC)c1 225927029 WSKLHYXZCBXBRS-UHFFFAOYSA-N 374.437 2.062 0 40 FEAB COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccccc2)c1 41124446 XXLQEDWOHSVGIZ-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB Cc1ccc(S(=O)(=O)NC2=NCN([C@@H]3CCC[C@@H](C)[C@@H]3C)CN2)cc1 227131609 PQKMFLZHIKHBLP-HLLBOEOZSA-N 364.515 2.274 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc(F)ccc2OC)c(OC)c1 223752866 LVWQLKJJPXLXCX-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)cc1 225937851 ZPFIJFSHEKKISW-ACJLOTCBSA-N 358.419 2.242 0 40 FEAB c1cc(CN2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)co1 96254132 CIVFHTNRLAXTIK-UHFFFAOYSA-N 355.442 2.039 0 40 FEAB Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)on1 333176553 LOOOASKZPGGKAJ-NWDGAFQWSA-N 374.363 2.383 0 40 FEAB O=C(c1ccncc1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239730 JHZOSNFDGZNLEW-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB COc1cccc(CNC(=O)c2cc3c(s2)CCN3S(C)(=O)=O)c1 96264574 WAKLAZUNTHPCSA-UHFFFAOYSA-N 366.464 2.009 0 40 FEAB O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1nnc(-c3cccnc3)o1)C2 91469054 XKWZYNXRYZYSBH-FQEVSTJZSA-N 367.453 2.356 0 40 FEAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(C)=O)CC3)cc1 96146955 ICUQYOKICBFOMH-UHFFFAOYSA-N 359.451 2.029 0 40 FEAB Cn1ccnc1CN1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 96240422 PFRRPCMROYPUSO-OXQOHEQNSA-N 374.460 2.279 0 40 FEAB Cc1ccc(C)c(CN2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)c1 248057910 YLONEFMPOMAPGK-LJQANCHMSA-N 360.498 2.389 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257287283 PPHGQVKMRKLQFE-AWEZNQCLSA-N 367.446 2.390 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1coc2cc(C)c(C)cc12 643953692 YTRMWUIAFYZKBL-FQEVSTJZSA-N 358.438 2.346 0 40 FEAB Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCCCC3)C2)ccc1F 585282023 FXTUJLAXOWTBGT-HXUWFJFHSA-N 367.461 2.271 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 585112362 NZXAUQBJICTBBC-OAHLLOKOSA-N 368.528 2.139 0 40 FEAB CNc1cnc(C(=O)N2CC[C@@](COc3cccc(C)c3)(OC)C2)nc1 585276062 IWTCEGXDLGKOIG-LJQANCHMSA-N 356.426 2.137 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54818400 BKHIZHUNWNGQPJ-CYBMUJFWSA-N 367.877 2.212 0 40 FEAB c1cc(N2CCCC2)nc(N2CCN(c3ncnc4ccsc34)CC2)n1 78335759 IAJOSKNFCHXMIC-UHFFFAOYSA-N 367.482 2.408 0 40 FEAB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 5861595 BORNQCXYDUQAFC-NTEUORMPSA-N 355.281 2.400 0 40 FEAB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859039 PHQUVNZHPNRIJE-BREBYQMCSA-N 366.723 2.124 0 40 FEAB O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)NC1CCCC1 12117424 ZHHRERKEKAYPPS-UHFFFAOYSA-N 369.450 2.216 0 40 FEAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N3CCC[C@H](C)C3)n2)c1 18664641 YJDWFYBOQYTEGZ-AWEZNQCLSA-N 371.441 2.164 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19566897 OEGUTSNHRUHVEU-HNNXBMFYSA-N 368.437 2.117 0 40 FEAB Cc1c(NC(=O)CN2CCC[C@@H](c3nc4ccccc4n3C)C2)cnn1C 19715522 BONDLFKYAYSUHC-OAHLLOKOSA-N 366.469 2.433 0 40 FEAB CN(C)c1cnc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cn1 502103919 DCDLFAZBRPQSCG-KRWDZBQOSA-N 353.470 2.279 0 40 FEAB CN(Cc1cn(C)nn1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 660765550 WLKHLDSMVUTBQR-LLVKDONJSA-N 356.213 2.397 0 40 FEAB O=C(CSc1nnnn1-c1ccccc1)NCCc1ccccc1F 7096383 ZVYLUDUDYHBJJK-UHFFFAOYSA-N 357.414 2.252 0 40 FEAB Cc1noc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)n1 1888890595 CKRKYZFLPFEPOT-IRXDYDNUSA-N 362.437 2.403 0 40 FEAB O=C(c1cncc(F)c1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988738 GNNVSNPJILBTEO-UHFFFAOYSA-N 369.396 2.259 0 40 FEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(Cl)cc1 4370654 NYMKJJVPPRVOPI-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)CC2=CCCCC2)C1 2055746330 PHRLYJGTYMBJRI-GVDBMIGSSA-N 370.453 2.312 0 40 FEAB CCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907283 OCKXDFUNLSQWBR-KRWDZBQOSA-N 355.438 2.021 0 40 FEAB CC[C@H](Sc1ncnc2c1nnn2-c1ccc(OC)cc1)C(=O)OC 4166791 HCWNHTMVKXFNDO-LBPRGKRZSA-N 359.411 2.263 0 40 FEAB O=C(Nc1nccs1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905532 VZPFGJLFJNPDHJ-KHSSZTOVSA-N 353.403 2.068 0 40 FEAB CC(C)Cc1nnc(NC(=O)CCCn2nnc3ccccc3c2=O)s1 40283810 ZEPKQAUGIIHUBY-UHFFFAOYSA-N 372.454 2.260 0 40 FEAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 102614675 CZFRBNRMYDNMLM-STEAMIEHSA-N 369.417 2.060 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)N[C@H]3COc4ccccc4C3)cnc12 53045188 DFRFTLFJPXPUPN-MRXNPFEDSA-N 363.417 2.215 0 40 FEAB C[C@H]1C[C@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C(=O)O1 53020558 BMOJIQKHADVVML-HZMBPMFUSA-N 352.818 2.400 0 40 FEAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N(C)c1ccccc1 12201071 UHCDTKAKKLQHNF-UHFFFAOYSA-N 374.418 2.174 0 40 FEAB NC(=S)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 47271091 OVZZOEYVYXJZLG-UHFFFAOYSA-N 350.447 2.496 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 47412830 GKXXKAVRQDEBDV-HZPDHXFCSA-N 374.485 2.270 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccncc1 3191442 JUFMMNJQBYQAHB-CQSZACIVSA-N 364.357 2.446 0 40 FEAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2C(C)C)cc1 3522091 BHJNRRZZLSIVIS-SNVBAGLBSA-N 363.443 2.210 0 40 FEAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1003767 HEJQUCLKXXQNQG-UHFFFAOYSA-N 355.485 2.084 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 6945412 VMIIDNYAIQDDAV-ZIAGYGMSSA-N 356.488 2.447 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2ccc[nH]c2=O)ccc1Br 3265407 NYZLKCZVOXQGHH-UHFFFAOYSA-N 365.183 2.241 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2C1=O 45861557 KZFGCJQUDNHEJH-UHFFFAOYSA-N 358.781 2.375 0 40 FEAB CCN(CC)Cc1cccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 24926863 HUJAJYPKCKXTSZ-QGZVFWFLSA-N 367.515 2.281 0 40 FEAB COC(=O)CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 11999167 HFEVNRHVCMKXHM-UHFFFAOYSA-N 357.432 2.449 0 40 FEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)O)CC2)cc1 3443673 LGMCGWLSDVQJAE-CABCVRRESA-N 368.499 2.370 0 40 FEAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3nncs3)nc21 4123514 JWWFJTJNLKLIBU-UHFFFAOYSA-N 357.424 2.099 0 40 FEAB Cn1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cn1 96116797 CUMRILQDLRMOIB-ZDUSSCGKSA-N 365.484 2.165 0 40 FEAB NC(=O)c1ccsc1NC(=O)CCC(=O)N1CCc2ccccc2C1 14119172 REAQJCCZPHYAKD-UHFFFAOYSA-N 357.435 2.151 0 40 FEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-n2cncn2)cc1 9377297 WQNNASVADLPEDM-KRWDZBQOSA-N 351.410 2.427 0 40 FEAB NC(=O)[C@H](CNC(=O)c1ccc(O)c(Cl)c1)Cc1ccc(F)cc1 66051683 ZGFKSBOPBVGCMB-LBPRGKRZSA-N 350.777 2.259 0 40 FEAB CCOC(=O)c1sc(NC(=O)Cn2ccc(C(F)(F)F)n2)nc1C 14865936 AGQXGXLQMQEGPS-UHFFFAOYSA-N 362.333 2.482 0 40 FEAB CC(C)CC(=O)N[C@]1(C(F)(F)F)N=C(O)N(CCc2ccccc2)C1=O 9485767 GJSFZLWAJBAOBV-INIZCTEOSA-N 371.359 2.406 0 40 FEAB CCCc1c(COC)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 22448506 CYODQLLMHKVISL-UHFFFAOYSA-N 360.433 2.335 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)Cc1nn(C)c(=O)c2ccccc12 16147607 SRPRUUHHNCSVFD-UHFFFAOYSA-N 365.433 2.322 0 40 FEAB CC[C@@H](C)NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 28230268 NAKOCGPXEPOOIF-SECBINFHSA-N 354.252 2.493 0 40 FEAB CNc1snc(C)c1C(=O)NCCc1cc(F)cc2c1OCOC2 84026809 FAICOSTZEAVWSG-UHFFFAOYSA-N 351.403 2.471 0 40 FEAB COc1ccc(CNC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1OC 89464522 UMKTYYHXHROKGF-UHFFFAOYSA-N 371.437 2.441 0 40 FEAB O=S(=O)(c1ccccc1OCc1ccccc1F)N1CC(CO)C1 521397027 KIBJKWMRSGSVCH-UHFFFAOYSA-N 351.399 2.018 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306129188 HWYVWXVCMJCVPC-ZDUSSCGKSA-N 373.384 2.396 0 40 FEAB Cn1nnnc1SCC(=O)Nc1nc2c(s1)-c1ccccc1CC2 35670643 GFBFNYYVWWUPNH-UHFFFAOYSA-N 358.452 2.163 0 40 FEAB CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Br)cc1 218209012 HWYPYRVZECPIFU-MELADBBJSA-N 362.289 2.084 0 40 FEAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@@H]1CCC(=O)N(C)C1=O 566143936 OIIUQAVQGAYIJJ-OAHLLOKOSA-N 370.384 2.465 0 40 FEAB C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 224324095 OCDXZWJZYKWSDX-CYBMUJFWSA-N 358.891 2.360 0 40 FEAB CCOC(=O)c1cnc(NC(=O)NCCc2ccc(F)cc2F)n1C 575352890 YOTNLYUAUGNQIS-UHFFFAOYSA-N 352.341 2.239 0 40 FEAB CCc1nn2c(ncc3c(=O)n(NC(N)=S)ccc32)c1-c1ccccc1 40387936 MSUARGOKNABBQL-UHFFFAOYSA-N 364.434 2.061 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(SC)c2)s1 224532109 CVWORSKACRKCMN-UHFFFAOYSA-N 358.470 2.409 0 40 FEAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccccc1C(F)(F)F 224169113 ARYUSGAMNWHLSY-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1CCN1CCOCC1 223125063 BRYSDDHTHPJCEF-IRXDYDNUSA-N 374.535 2.448 0 40 FEAB CC(C)C(=O)N[C@@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21 96079011 TUWMZYUKBMFXNB-GOSISDBHSA-N 357.498 2.325 0 40 FEAB Cc1n[nH]c(O)c1[C@H](c1ccc(N2CCOCC2)cc1)c1c(O)n[nH]c1C 96193539 UWUOPNGPTNROOW-UHFFFAOYSA-N 369.425 2.178 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3ccco3)C2)c1 96227109 XIGAIMSLZNFZSP-IEBWSBKVSA-N 374.462 2.305 0 40 FEAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2 96059549 TXOBDOJZOZTOBA-UHFFFAOYSA-N 351.410 2.159 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2C=O)C[C@H]1C(=O)O 95080818 SPKMQSFQHUMBLE-ZDUSSCGKSA-N 352.362 2.149 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccccc1O2 96242684 SAPQKXYXFQKSKX-NVXWUHKLSA-N 358.438 2.044 0 40 FEAB Cc1cnc(N2CCC3(CCC(=O)N3CC3CCN(C)CC3)CC2)nc1 96075414 YAPGJUWOIBHOLC-UHFFFAOYSA-N 357.502 2.088 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226880 UMHSSFLHWDOSHJ-MJGOQNOKSA-N 371.462 2.429 0 40 FEAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)c2ccccn2)n1 96083151 JYPQZBOQJBCLOX-ROUUACIJSA-N 350.422 2.191 0 40 FEAB Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 248024269 NJOKWTXGBYEKET-GOSISDBHSA-N 354.454 2.250 0 40 FEAB O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccccc2F)Cc2cncn21 247509898 SQANZNXPONHCGQ-IBGZPJMESA-N 372.444 2.122 0 40 FEAB C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 251055278 UBYDYCTYEIGTTB-CENBSLRLSA-N 372.437 2.424 0 40 FEAB O=C(c1cccc([C@H]2CCCN(Cc3cscn3)C2)n1)N1CCOCC1 257285575 PHVRQAUDDLSOSR-HNNXBMFYSA-N 372.494 2.390 0 40 FEAB CCc1noc(CCC(=O)N(C)[C@H]2CCCN(c3cccc(C)n3)C2)n1 257311725 UKTOTXPYMVKCRR-HNNXBMFYSA-N 357.458 2.395 0 40 FEAB CCCc1cc(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCC[C@H]2[C@]4(C)C3)n(C)n1 257212483 CDQSYWROAPPVSE-ZNWBIBPKSA-N 358.486 2.377 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)CC12CC=CC2 645508282 JNYUKGHGIRFHOG-LMSBXDPUSA-N 361.486 2.199 0 40 FEAB COc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2COc2cccnc2)c1 1775957420 UAXCVRHDJHORMC-QFBILLFUSA-N 356.422 2.328 0 40 FEAB CC(=O)N1CCC(C(=O)N2CC[C@H](Cc3ccc(C)cc3)[C@@H](O)C2)CC1 585280753 OLFPPBHRQBMTAX-UXHICEINSA-N 358.482 2.005 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1=O 585106640 DFBMMWKDNNIINO-OXJNMPFZSA-N 353.397 2.309 0 40 FEAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1ccccc1 1549161382 KNKUWFZPURBNMQ-XUVXKRRUSA-N 368.412 2.002 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)c3cccc(F)c3)CC1)CC(=O)N2C 1772596232 ZUUAOIZGOVISML-UHFFFAOYSA-N 356.401 2.329 0 40 FEAB CCN1C(=O)[C@H](OC(=O)c2cnn(C)c2C)C[C@@H]1c1ccc(OC)cc1 5007860 XPNVQRZNCXWKPB-IAGOWNOFSA-N 357.410 2.256 0 40 FEAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1 13096737 DDYRLDSZGDCUJD-UHFFFAOYSA-N 367.858 2.058 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(F)cc1 13266072 VOCGASYVTHUEFF-INIZCTEOSA-N 352.431 2.204 0 40 FEAB O=C(Nc1nccs1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905534 VZPFGJLFJNPDHJ-ZUMXRPEOSA-N 353.403 2.068 0 40 FEAB C[C@@H](Cc1ccccn1)NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 19456998 IJXIDQSZAXJZTQ-NVZZZQCFSA-N 366.469 2.111 0 40 FEAB O=C(CN1CCC[C@@H](Cn2ccnc2)C1)Nc1ccc2c(c1)OCCCO2 19715460 UKPXDGPKXOTFFE-MRXNPFEDSA-N 370.453 2.395 0 40 FEAB Cc1cc(C(=O)NCC(C)(C)c2ccccc2F)nc(N2CCOCC2)n1 19718698 PTYINMZJQKSALK-UHFFFAOYSA-N 372.444 2.468 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 643996718 OGOMIADAOCQFMR-INIZCTEOSA-N 359.253 2.155 0 40 FEAB CC(C)CNC(=O)COC(=O)c1ccccc1I 3391293 JTHWNZOIUPEBQE-UHFFFAOYSA-N 361.179 2.220 0 40 FEAB Cc1cc(N2CCN(c3nc(C)nc(C)c3F)CC2)n2nc(C)cc2n1 1888888344 XNXIFKFNAPRATQ-UHFFFAOYSA-N 355.421 2.219 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@H](N(C)c3ncc(C)cn3)C2)c1 1889149118 POYOKKZZSSFFCS-KRWDZBQOSA-N 354.454 2.464 0 40 FEAB C[C@@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1ccc(F)cc1F 2086992603 ZRIVBMYQVFXDDC-GFCCVEGCSA-N 358.396 2.352 0 40 FEAB CCN1CCN(C(=O)N2CCCC[C@H](c3ccc(OC)cc3)C2)C(=O)C1=O 206887563 OVSMXMKAAGEGSJ-INIZCTEOSA-N 373.453 2.075 0 40 FEAB O=C(NCC1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCO2 43977854 NUCWPYZHYXVWHK-UHFFFAOYSA-N 355.398 2.243 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O 10457852 AEXWYQIEYUFKAX-MRXNPFEDSA-N 367.449 2.223 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1 40104217 IJOCVYSEMPFDLV-UHFFFAOYSA-N 360.414 2.119 0 40 FEAB Cc1nc(C)c(CC(=O)Nc2nc(C)c(-c3ccccn3)s2)c(=O)[nH]1 31271752 FXGJGMZFGSUCMN-UHFFFAOYSA-N 355.423 2.395 0 40 FEAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(CCc2ccccc2)CN3)c1 20417652 NAMNFDJWVINWSR-UHFFFAOYSA-N 362.433 2.262 0 40 FEAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccccc3)n2)cc1 21172957 LNLLEPASGQDBQV-UHFFFAOYSA-N 352.394 2.088 0 40 FEAB CC1=NN(C)C(=O)[C@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 101901949 QVOLFGPLYAKERP-MRXNPFEDSA-N 356.357 2.093 0 40 FEAB C/C(=C\C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1)C1CC1 52113743 YKBDJKKZYMGPPM-BUYIWHAFSA-N 358.438 2.329 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc(Cl)ccc1Cl 102087007 DMDXDTNIAWATHP-QQXRRDQMSA-N 351.189 2.445 0 40 FEAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 32930451 MRNDVKBDYIYVMM-OKILXGFUSA-N 369.421 2.354 0 40 FEAB CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 33040377 OFZKTTAIBHXFKQ-STQMWFEESA-N 355.460 2.016 0 40 FEAB O=C(CCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc2c(c1)CCC2 8937574 CMYRIGALDRKFPT-UHFFFAOYSA-N 354.450 2.219 0 40 FEAB COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cccs1 717415 ZLYXKFBGBYVQEZ-GFCCVEGCSA-N 363.435 2.440 0 40 FEAB CCN1C(=O)C2(c3ccccc31)N1CC3(CC)CN2CC(CC)(C1)C3=O 19320181 FRXTUAULRKGENB-UHFFFAOYSA-N 353.466 2.213 0 40 FEAB biogenic COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)OC)ccc2C)cc1 22753820 LWOUOIWOENWIGZ-UHFFFAOYSA-N 364.423 2.438 0 40 FEAB CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 922652 XIRFXLPYWIFNQL-UHFFFAOYSA-N 365.389 2.384 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCN(C)CC2)c1 7109495 JHTXLCSRHQEBNP-UHFFFAOYSA-N 373.478 2.442 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1OC 101288900 NPVKDCPUZPZCEZ-WBVHZDCISA-N 358.394 2.124 0 40 FEAB CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)CC1 58152675 IDMRVRDVVOXRNV-UHFFFAOYSA-N 365.890 2.002 0 40 FEAB Cc1cc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)on1 26765727 MGDCGQWBNNFBBT-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB C[C@@H]1CCCCN1C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507308 YTIWZIBHNNOZTB-CQSZACIVSA-N 366.425 2.036 0 40 FEAB Cc1cc(NC(=O)c2cccc(OCc3cccnc3)c2)n(CCO)n1 95347379 PZJWMSIJVYMYPY-UHFFFAOYSA-N 352.394 2.410 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1 12607982 NBGGILNXZHEEDQ-UHFFFAOYSA-N 371.462 2.370 0 40 FEAB CCn1c(SCC(=O)NC(C)C)nnc1-c1ccc2c(c1)OCCO2 9096197 PSDSEWZTWWNKFL-UHFFFAOYSA-N 362.455 2.353 0 40 FEAB CCNC(=O)CN(CC)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 27447316 IITKPMMCPLIUOI-ZDUSSCGKSA-N 369.874 2.128 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCn2c(=O)n(C)c3ccccc32)C1 48269604 IMXJAYSVWZVFDI-IRXDYDNUSA-N 372.513 2.214 0 40 FEAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2ccccc2)CC1 12756504 WWWZXWOHEZLAPA-INIZCTEOSA-N 356.426 2.158 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 58168355 BRHWAQDRBUGUON-UHFFFAOYSA-N 355.419 2.206 0 40 FEAB CC(C)[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)N1CCCc2ccccc21 89775816 RENLVDIFYMNWKB-QAPCUYQASA-N 358.438 2.060 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 54670811 VLHSMISNEYPXOI-IUODEOHRSA-N 364.829 2.247 0 40 FEAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 2113938 DNHODRZUCGXYKU-WOJBJXKFSA-N 372.428 2.418 0 40 FEAB biogenic,in-vitro O=C(CNc1ccccc1C(=O)NCC(F)(F)F)NCC(F)(F)F 58373385 ZWCOATWUXIBNTK-UHFFFAOYSA-N 357.254 2.069 0 40 FEAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2O)C1 58430896 OBISJYFOLZHNIE-AWEZNQCLSA-N 354.472 2.060 0 40 FEAB CCOC(=O)C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3CC(=O)OCC 2268629 BLLOUEOOKLDRST-KBPBESRZSA-N 362.334 2.016 0 40 FEAB Cc1[nH]c2nc(SCc3ccc(Cl)cc3)nn2c(=O)c1CCO 10152774 MINNBSYRNDRCPU-UHFFFAOYSA-N 350.831 2.207 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCc1ccccc1)C2=O 2644208 ORGUWZCRXYSGGI-UHFFFAOYSA-N 357.454 2.236 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)no1 3505749 XBZCDNJKUVEYLK-UHFFFAOYSA-N 370.409 2.438 0 40 FEAB CCOc1ccc(OCCSc2nc(=O)[nH]c(C)c2C(=O)OC)cc1 12908505 VIBVUMOLEDNJDJ-UHFFFAOYSA-N 364.423 2.435 0 40 FEAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 5000103 AJXOWZCDIFGFPN-UHFFFAOYSA-N 361.760 2.131 0 40 FEAB NC(=S)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 4476913 UWONDNDOKSNSSD-JTQLQIEISA-N 368.178 2.353 0 40 FEAB COC(=O)c1sc2nc(CSc3nncs3)[nH]c(=O)c2c1C 6651880 NLVASSQTZOEFJT-UHFFFAOYSA-N 354.438 2.223 0 40 FEAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 7070843 XRDFIPRDHAPJIP-WMUVVQJISA-N 360.391 2.387 0 40 FEAB CCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc1 7727445 ZDRRKEIPNVMNDD-UHFFFAOYSA-N 364.442 2.005 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccc(-c3ccccc3)cc2)C1=O 8039286 DTAFIYQKPMBSOP-HXUWFJFHSA-N 367.405 2.484 0 40 FEAB Cc1cc(OCC(N)=O)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 84093208 TWZGORAVMXOIRZ-GOSISDBHSA-N 369.421 2.465 0 40 FEAB NC(=O)Nc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 95997946 FGXALMQIPFNPFA-UHFFFAOYSA-N 362.393 2.133 0 40 FEAB COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)ccc1[N+](=O)[O-] 95989719 UWBUNRPDEPWEFL-ZDUSSCGKSA-N 362.313 2.168 0 40 FEAB Cc1ccn(C)c(=O)c1NS(=O)(=O)c1ccccc1Br 75108289 JGDJXCHIPVEBGU-UHFFFAOYSA-N 357.229 2.257 0 40 FEAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408606455 MBUZNSVAOQCFHW-MNOVXSKESA-N 362.879 2.320 0 40 FEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@H](c2ccccc2)C1 79492501 ROHIEGTYGUXPRU-MSOLQXFVSA-N 352.438 2.293 0 40 FEAB O=C1N[C@@]2(COC3(CCN(C(=O)c4ccco4)CC3)C2)Nc2ccccc21 72325200 GXHIWXZODWPULE-FQEVSTJZSA-N 367.405 2.227 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218601412 AUAADPZMOFNVLH-AOIWGVFYSA-N 359.447 2.218 0 40 FEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1 44839260 NLAMLCJPIVSFJE-UHFFFAOYSA-N 367.814 2.063 0 40 FEAB COc1cccc(CN(C)CCN2C(=O)c3ccccc3C2=O)c1OC 40161691 ZFUKFFJLNXCLQP-UHFFFAOYSA-N 354.406 2.432 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CCO1 95476738 NLDJWQDSQJSLJN-NWDGAFQWSA-N 374.416 2.129 0 40 FEAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(C)o4)CC3)[C@@H]1CN(C(C)=O)C2 97952828 CIUGHHZWFNFWCF-GHTZIAJQSA-N 373.497 2.175 0 40 FEAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4cnn(C)c4)[C@@H]3C2)n1 248124925 LJYIVGUFZUYVMG-DBVUQKKJSA-N 356.470 2.320 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)[C@H]1CCC[C@H](C(F)(F)F)C1 629108023 OXBMASMIPPTPQR-RYUDHWBXSA-N 354.332 2.367 0 40 FEAB COc1ccc(-n2ccc(C(=O)N3CCC[C@H](n4ccnn4)CC3)n2)cc1 636183902 DSWUUPXUOZFFFP-HNNXBMFYSA-N 366.425 2.340 0 40 FEAB COC[C@]1(C(=O)O)CCCN1C(=O)Cc1cccc2ccc(OC)cc12 643852414 BUVFJUCLMLWBQX-FQEVSTJZSA-N 357.406 2.483 0 40 FEAB C[C@@]1(C2CCN(Cc3cccc(OC4CC4)c3F)CC2)NC(=O)NC1=O 667677418 RFTCIJKVPNMEQE-IBGZPJMESA-N 361.417 2.177 0 40 FEAB COC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)C1 679113975 ICKQBFZLFIYYME-CYBMUJFWSA-N 368.380 2.140 0 40 FEAB Cc1cc(CN2CCc3oc(C(=O)N(C)C4CC(C)C4)nc3C2)n(C)n1 585112093 KXZJOVWXUPUZRL-UHFFFAOYSA-N 357.458 2.145 0 40 FEAB O=C1CN(c2ncnc3ncccc23)CCN1c1ccnc(C(F)(F)F)c1 1776008630 KWQKKOFWRFGEID-UHFFFAOYSA-N 374.326 2.292 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1O 51951712 ZOHDMZDTYNCUBC-CABCVRRESA-N 350.415 2.283 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](Cc2cccs2)C(=O)O)c(C)c1 97101856 PZCFWHUAWNMBPA-GFCCVEGCSA-N 369.464 2.287 0 40 FEAB C[C@H](NC(=O)c1cnc2ccccn12)c1cccc(NS(C)(=O)=O)c1 84656205 AFMDOQLZGVLXGJ-LBPRGKRZSA-N 358.423 2.197 0 40 FEAB Cc1nccn1CC1(O)CCN(Cc2cncn2Cc2ccccc2)CC1 12143458 ZCGNHBJDDNTBNZ-UHFFFAOYSA-N 365.481 2.463 0 40 FEAB Cn1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c2nccnc21 12365115 YZMBYLVQAHMUIP-CQSZACIVSA-N 353.401 2.451 0 40 FEAB O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 14084703 HOTYAMOOOBVWAS-UHFFFAOYSA-N 362.288 2.497 0 40 FEAB Cc1csc([C@H](Cc2ccsc2)NC(=O)Cn2cccnc2=O)n1 19240185 OLHOTWUMUKKOLC-ZDUSSCGKSA-N 360.464 2.170 0 40 FEAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccnc3ncnn23)cc1 19554222 HUTGXZSZJDXBIC-MRXNPFEDSA-N 351.410 2.429 0 40 FEAB COc1cccc(Cn2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cn2)c1 19659544 IUYUNINMIYEPIC-OAHLLOKOSA-N 356.426 2.135 0 40 FEAB Cn1nc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)ccc1=O 19717650 RSXDBJZYXUFUIC-UHFFFAOYSA-N 356.357 2.080 0 40 FEAB CC(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 19766010 GEDOWNRZTKZMNQ-UHFFFAOYSA-N 352.438 2.320 0 40 FEAB Cn1cc(CNC(=O)N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 156534028 YGNYZLPSUJVXSZ-HUUCEWRRSA-N 368.359 2.456 0 40 FEAB O=S(=O)(CCC(F)(F)F)NCC1CCN(C2CCSCC2)CC1 252549922 RXASNPAYRSTKDH-UHFFFAOYSA-N 374.494 2.466 0 40 FEAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 664736137 DDGPTAHTUXTQQO-VNHYZAJKSA-N 352.456 2.084 0 40 FEAB Cn1nc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)n(C2CC2)c1=O 1888853605 PUKWINFLGVPERM-UHFFFAOYSA-N 368.363 2.110 0 40 FEAB CCN=c1nc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc(C)[nH]1 1888879105 IIPXVJXHPJBWGR-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB O=C1[C@@H]2CN(c3ncnc(C4CC4)c3F)C[C@@H]2C(=O)N1Cc1ccccc1 1888879197 KBQLDWPYUAWCNA-GASCZTMLSA-N 366.396 2.115 0 40 FEAB COc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)ncn1 1889179494 RCOAZNHDLKMHDV-UHFFFAOYSA-N 369.400 2.251 0 40 FEAB Fc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1F 1889179532 KDGZGJZFJRKNLN-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB Cc1nccc(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037980936 NNWTVYQPHGQSEF-FQEVSTJZSA-N 352.438 2.041 0 40 FEAB C[C@H]1CN(c2ncc(Br)cn2)CCN1Cc1ccncc1F 2086894071 RAPMVKZERPQZMN-NSHDSACASA-N 366.238 2.484 0 40 FEAB O=C(NC[C@]1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 606440401 LFHJAFRMHIQAIG-HNNXBMFYSA-N 358.316 2.111 0 40 FEAB COc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1)C[C@@]1(CCCN(C)CC1)O2 248080502 PLKTWAMSIWBKKL-NQIIRXRSSA-N 373.497 2.023 0 40 FEAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cnn1C 103507382 GLOLZFARZHROEH-AEFFLSMTSA-N 360.373 2.174 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 31242027 AIYLUOUMMYDEDV-HOCLYGCPSA-N 370.405 2.258 0 40 FEAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1 101273588 CYUJVYKJPTVGAH-AEFFLSMTSA-N 366.373 2.305 0 40 FEAB C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F 32523065 ICIHHBBQRYOLHV-LBPRGKRZSA-N 350.415 2.283 0 40 FEAB O=C(Cc1cccc(F)c1)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707213 IERMJKZIZAWHSC-UHFFFAOYSA-N 356.397 2.408 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 102422968 LTWTUHJVHMNYHC-XYJFISCASA-N 360.479 2.040 0 40 FEAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4ccccc4C3)[C@@H]2N1 32843934 DHLKEKGKCYSYGO-JFIYKMOQSA-N 359.495 2.297 0 40 FEAB C[C@@H]1SCCN1S(=O)(=O)c1ccc(I)cc1 629877 IBJCTSNYBRZTTQ-QMMMGPOBSA-N 369.249 2.375 0 40 FEAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 665163 JFYZLYOEPBOHJL-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB Cc1ccc(S(=O)(=O)CC(=O)NCCc2c(F)cccc2F)cc1 97493316 HZRFXYFNQXWZRT-UHFFFAOYSA-N 353.390 2.406 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(C)=O)o2)cc1 922266 NUYIHOUAEJUQND-UHFFFAOYSA-N 369.468 2.448 0 40 FEAB CC1(C)CCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 77448475 GNCRMONVGPTDAN-HXUWFJFHSA-N 355.438 2.386 0 40 FEAB Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 1122256 YHTGNDKJWFZOPW-UHFFFAOYSA-N 366.446 2.223 0 40 FEAB COC(=O)[C@@H]1COCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 78971686 QHLUHCXPSGIAPJ-AWEZNQCLSA-N 374.418 2.014 0 40 FEAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NC1CCCC1 1328862 GQRLEQSJZNQVPL-IAQYHMDHSA-N 362.451 2.480 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 3434810 STANFZZCDSWUIY-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB COc1ccc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c(OC)c1OC 23043354 IABDNFDKYSFHNQ-UHFFFAOYSA-N 370.409 2.484 0 40 FEAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@H]1CCCC[C@@H]1C 104729009 BPKWXPILWZNTSW-XEZPLFJOSA-N 371.437 2.174 0 40 FEAB O=C(CN1CCc2ccccc21)NCC1(N2CCOCC2)CCCCC1 23640972 WNPJQVUUEFUHTM-UHFFFAOYSA-N 357.498 2.200 0 40 FEAB Cc1noc(C)c1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 24267463 SLSDECAEBSBGGR-NSHDSACASA-N 371.393 2.141 0 40 FEAB COc1ccc(C)cc1NC(=O)CSc1nc(=O)[nH]c(C)c1C(C)=O 10913784 GZYIJDLJTBKTDJ-UHFFFAOYSA-N 361.423 2.329 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1F)c1ccc(Cl)cc1 8810019 KYZFZSMOWJJLOK-UHFFFAOYSA-N 372.805 2.002 0 40 FEAB Cc1cc(Br)ccc1SCC(=O)N1CCOC[C@H]1CCO 95451147 DFRGKRIRZXGZEP-CYBMUJFWSA-N 374.300 2.459 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493459 WZXDPBVLTSJQTI-SCLBCKFNSA-N 372.446 2.191 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 12542602 YTKPTVXJCTUIDB-INIZCTEOSA-N 365.433 2.149 0 40 FEAB OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)OCCO2 107501000 JERDWRKMGALIND-UXHICEINSA-N 368.477 2.430 0 40 FEAB O=C(NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccoc1 57008747 KOTUGHJFZHCFPM-UHFFFAOYSA-N 362.329 2.007 0 40 FEAB CNc1cc(N2CCC[C@H]2CNCc2cccc(OC)c2OC)ncn1 109069813 QIRQIBFGBJHDME-HNNXBMFYSA-N 357.458 2.294 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(Cl)c2)c1 3240646 MXAYUUDVIZYUTO-UHFFFAOYSA-N 367.810 2.288 0 40 FEAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2Cl)cc1 58172310 AWVDNDRMXKPVOS-UHFFFAOYSA-N 363.830 2.331 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 57702160 NFUAYMLLOMXIPS-UHFFFAOYSA-N 367.405 2.019 0 40 FEAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12755901 MVZHRIFSQPGLEQ-VIFPVBQESA-N 368.256 2.021 0 40 FEAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102592219 XHMFZMDICPCWCM-SCMJLYPYSA-N 350.418 2.377 0 40 FEAB CCC(CC)CN(CC(=O)OC)C(=O)/C=C/c1ccc(C(=O)NC)cc1 58323937 UXJCUNBDMFZIRC-FMIVXFBMSA-N 360.454 2.497 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 58406905 SNCHSJHTIUTYEU-UHFFFAOYSA-N 357.458 2.249 0 40 FEAB O=C(CN1CCN(C(=O)CCc2ccccc2)CC1)NCc1ccccc1 36386904 WONJCTHFWQOSOC-UHFFFAOYSA-N 365.477 2.080 0 40 FEAB O=C(O)c1nccnc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 72404421 NCHXLYXNQHGKPF-UHFFFAOYSA-N 370.346 2.279 0 40 FEAB Nn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccccc2c1=O 11186867 STRZKWZFFWEISC-UHFFFAOYSA-N 362.361 2.119 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 107264744 NOCSWFLXHWKBCD-GVDBMIGSSA-N 370.384 2.481 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)c1ccc2nnc(C(F)(F)F)n2n1 12866483 AWEURFPZMDGUIR-SNVBAGLBSA-N 365.315 2.419 0 40 FEAB Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)o1 48985491 OKKNBSZZTDOUBX-ZDUSSCGKSA-N 357.410 2.414 0 40 FEAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)C1CC1)C(F)(F)F 9184371 PWYBKPNUMLHWMS-MRXNPFEDSA-N 374.359 2.046 0 40 FEAB COc1ccc(CCNC(=O)COc2ccc(C(=O)O)cc2OC)cc1 13419529 URTFBZIMKOFYQU-UHFFFAOYSA-N 359.378 2.140 0 40 FEAB COc1ccc(CCNC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)cc1 13551598 QHVCYIBWAONOOZ-LLVKDONJSA-N 357.439 2.201 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 5100845 JWFWAPBEUAFQNP-UHFFFAOYSA-N 370.438 2.402 0 40 FEAB Cc1noc([C@@H](C)NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 65547949 WPSNVYBEVFMFJW-HYFFIUAVSA-N 360.458 2.278 0 40 FEAB COc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1OC 6549326 RIPGUSQCQWPLTF-UHFFFAOYSA-N 356.378 2.318 0 40 FEAB Cn1cc(Br)cc1C(=O)OCN1C(=O)c2ccccc2C1=O 9482090 GWCJMIKDEVUWMO-UHFFFAOYSA-N 363.167 2.198 0 40 FEAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)N2CCNC2=O)cc1Cl 7189100 DXPOKNUQQMKFMM-JTQLQIEISA-N 365.846 2.262 0 40 FEAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 7195283 HKLJPPBGWKPYCU-HRAATJIYSA-N 366.417 2.128 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 16371551 NFLVNDLELJNFRE-UHFFFAOYSA-N 361.427 2.306 0 40 FEAB COC(=O)Cc1cc(O)n2nc(SCc3ccccc3Cl)nc2n1 18077415 RYSWQIYFURVAQY-UHFFFAOYSA-N 364.814 2.491 0 40 FEAB Cn1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 8746686 RNQCYXZMJORZBB-UHFFFAOYSA-N 356.407 2.473 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NC4CCCC4)nc3[C@H]2C)n(C)n1 306133720 MTOPZXNMNIDISW-OAHLLOKOSA-N 370.501 2.103 0 40 FEAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1C[C@@H]3CCCCN3C1=O)C2 556658861 BOYCYTADFDBHGN-YJBOKZPZSA-N 369.465 2.405 0 40 FEAB Cc1cccc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 408681247 QSINOAKQKDOMKY-UHFFFAOYSA-N 370.515 2.473 0 40 FEAB Cn1ncc(C(=O)N[C@@H](CC(N)=O)c2ccccc2)c1Cc1ccccc1 512514900 RKLQOUVWPMTWEI-SFHVURJKSA-N 362.433 2.357 0 40 FEAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nn(CC3CCC3)cc2C1=O 306124122 BGSHODTVCKEFHB-UHFFFAOYSA-N 356.470 2.039 0 40 FEAB Cc1nn(C[C@H](C)C(=O)N2CCN(CCOC(C)C)CC2)c(C)c1C 72390335 HNIZXYXYIZPDIF-HNNXBMFYSA-N 350.507 2.014 0 40 FEAB O=C(Nc1cccc(N2CCOCC2)c1)c1cnc(OCC2CC2)cn1 557346823 RBJYOPLZTXEOMT-UHFFFAOYSA-N 354.410 2.354 0 40 FEAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3c3ncccn3)n2)c1 35425944 QTGKMWXEDYHICN-HNNXBMFYSA-N 368.397 2.288 0 40 FEAB biogenic,in-vitro CN(C)C(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72377011 QODPDDLWRNWLOA-MRXNPFEDSA-N 357.433 2.480 0 40 FEAB CC(C)(C)N1C[C@H](NC(=O)CCC[C@@H]2C(=O)Nc3ccccc32)CC1=O 1565524556 KRNZXQZGVRNCNV-HIFRSBDPSA-N 357.454 2.408 0 40 FEAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217668349 CQPGFUBWYXRBFZ-NEPJUHHUSA-N 358.460 2.299 0 40 FEAB Cc1ccc(CSCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 44388465 IXANUFAIXNNQFD-INIZCTEOSA-N 370.540 2.016 0 40 FEAB CCc1cnc(N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)nc1 96237670 OIRBGLJDKRTIDS-GOSISDBHSA-N 357.483 2.028 0 40 FEAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)COC)CC2 96145001 YWWVUCFRXXHJNV-UHFFFAOYSA-N 368.481 2.350 0 40 FEAB COc1ccc(-c2nn([C@H](C)C(=O)N3CCCC3)c(=O)cc2OC)cc1 96101077 YEXMFHVMNTYCJZ-CYBMUJFWSA-N 357.410 2.111 0 40 FEAB CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96263963 LCVDXXIINJZHJN-HOTGVXAUSA-N 350.484 2.333 0 40 FEAB CCN(C)[C@@H]1COC2(CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)C1 96220811 AUTDNBPUQGNVCN-SFHVURJKSA-N 366.527 2.400 0 40 FEAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 96248825 KTTFTZAUEJBEHG-MSOLQXFVSA-N 356.426 2.409 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@H](c2ccc3cnn(C)c3n2)C1 257322579 WGNYCHTUHHZMLL-LBPRGKRZSA-N 356.455 2.402 0 40 FEAB CCOC1CC2(CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)C2)C1 585082149 OWXLBLRESRLIPQ-UHFFFAOYSA-N 358.360 2.285 0 40 FEAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2CCC2)(c2ccccc2)CC[C@@H]1O 257249592 JIZRLDLZLZAYTD-ZJOUEHCJSA-N 358.482 2.280 0 40 FEAB CNc1cncc([C@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)n1 257249150 JGZYTNNOEZJDKD-QGZVFWFLSA-N 354.458 2.099 0 40 FEAB Cn1cncc1-c1nccnc1C1CCN(C(=O)Cc2cccnc2)CC1 257336648 YPJIDFXARNLYSJ-UHFFFAOYSA-N 362.437 2.221 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1 257255772 KIUHBQLPQFUGNH-KRWDZBQOSA-N 351.410 2.492 0 40 FEAB O=C(CCc1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257267077 MFWYFCKVKOSSFH-MRXNPFEDSA-N 358.454 2.375 0 40 FEAB N[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515399 JOUCWNPHJYAEHM-SQWLQELKSA-N 351.811 2.062 0 40 FEAB CC(C)c1noc(CCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 257201622 AIIWORBSWWYRAK-AWEZNQCLSA-N 359.430 2.474 0 40 FEAB COc1ccc2nc(C(=O)N3CC[C@@H](CN4CCCC4=O)C3)ccc2c1 620249658 RFOOQGGTVYTKQT-AWEZNQCLSA-N 353.422 2.328 0 40 FEAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C)c2)C1 624181361 MGQIJTYSLRHXLV-LSDHHAIUSA-N 353.488 2.027 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(C)nn(CCC(=O)O)c1C)C2 630331996 ATAJRRBOFCNTMV-CQSZACIVSA-N 373.409 2.173 0 40 FEAB Cc1[nH]nc(NC(=O)[C@H]2CCc3cnn(C)c3C2)c1-c1cccc(F)c1 640943434 AYDZLKOPAORSMJ-ZDUSSCGKSA-N 353.401 3.001 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(Cl)c1)C2 585103101 QBNKVLLFYATTFZ-AWEZNQCLSA-N 372.918 2.461 0 40 FEAB Cc1cccc([C@@H](C)CNC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1 585088677 VOSIUDVEANHHSG-JXFKEZNVSA-N 361.486 2.113 0 40 FEAB Cn1cnc(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)cc1=O 1776001270 IURUSOBONWPBNZ-GFCCVEGCSA-N 368.359 2.490 0 40 FEAB Cc1ccc(OCC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nn1 1776001025 VIUUMECTZSJBOX-UHFFFAOYSA-N 365.384 2.387 0 40 FEAB COc1cc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1NC(C)=O 56162580 PAGWYPSPZKVJOQ-JTQLQIEISA-N 350.419 2.078 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)N(C)C)cc1 58185597 YRHVCLHFBMNWJX-GOSISDBHSA-N 360.479 2.431 0 40 FEAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CC(=O)N(C2CC2)C1 78301179 NZTVRSLBEWQUMT-CQSZACIVSA-N 370.449 2.354 0 40 FEAB O=C(O)CCCCCCC/C=C\C/C=C\CC(=O)N[C@@H](CO)C(=O)O 1549184258 NPDOYQQYKLFRBY-JWHPUEABSA-N 355.431 2.256 0 40 FEAB O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 5699156 CIWSANBWPZTIDV-UHFFFAOYSA-N 355.413 2.432 0 40 FEAB Cn1ccnc1[C@H](O)c1ccccc1N1CCN(Cc2ccncc2)CC1 12143358 SZEYJLKJTLYQHG-HXUWFJFHSA-N 363.465 2.219 0 40 FEAB Cc1nccn1CC1(O)CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1 12221653 KLJRBSAGPXBDPD-UHFFFAOYSA-N 356.401 2.479 0 40 FEAB CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 15083987 ZTSHTIMNQNNWAW-UHFFFAOYSA-N 368.499 2.401 0 40 FEAB Fc1ccccc1N1CCN(c2c3c(nc4ncnn24)CCCC3)CC1 15786709 AJVVVCHMTDGNOL-UHFFFAOYSA-N 352.417 2.469 0 40 FEAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 17324059 WGBMJAGPGXHIBL-UHFFFAOYSA-N 357.797 2.322 0 40 FEAB Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1F 10552455 AQXSGVSIWQAEPE-LBPRGKRZSA-N 368.405 2.256 0 40 FEAB CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 4964282 HBVVAPUWPHHMDW-UHFFFAOYSA-N 373.906 2.261 0 40 FEAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncnc3n[nH]cc23)CC1 1888914210 XERSWXTUCPFXFU-UHFFFAOYSA-N 364.457 2.218 0 40 FEAB COc1cccc([C@@]2(C)NC(=O)N(CN3CCc4ccccc4C3)C2=O)c1 23381324 WSMUJOSIPZFBQO-OAQYLSRUSA-N 365.433 2.478 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 1614946047 WLBVAJIKCHOECA-FQEVSTJZSA-N 361.461 2.309 0 40 FEAB CC(C)CN1C[C@]2(COCCN(c3ncc4sccc4n3)C2)CC1=O 1614948342 HOPSVBHHYSCGFU-SFHVURJKSA-N 360.483 2.403 0 40 FEAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2nnc([C@H]3CCOC3)o2)C1 2086939628 NYWTUOWKLHWWCF-UONOGXRCSA-N 350.463 2.042 0 40 FEAB Cc1ccnc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 4273361 OWTDJFDLZQNNKI-CYBMUJFWSA-N 368.393 2.088 0 40 FEAB Cc1nnc2ccc(N3CCCN(Cc4cc(C5CC5)on4)CC3)nn12 1775967646 ZJQBALWZIPJMQK-UHFFFAOYSA-N 353.430 2.010 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)CC2)c1C 11666776 LPFZLCZOOJGIRD-QGZVFWFLSA-N 355.482 2.353 0 40 FEAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@@H]1COc2ccccc2O1 9429792 USZWFQANOIEYEX-SFHVURJKSA-N 350.374 2.327 0 40 FEAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 51163173 IVIKFUSCEKRWBF-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB O=C(CSc1nc(-c2ccco2)n[nH]1)NC[C@H]1COc2ccccc2O1 32873578 ZZICXSOXCJGGNH-NSHDSACASA-N 372.406 2.113 0 40 FEAB COc1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1 792115 BYANDOAQRPFCEJ-UHFFFAOYSA-N 367.409 2.167 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc(SCC(N)=O)s2)cc1 3446041 GHEUDSDAKRMWCG-UHFFFAOYSA-N 368.509 2.409 0 40 FEAB Cc1sc(C(=O)Oc2ccccc2)cc1S(=O)(=O)N1CCOCC1 6679782 DCHNMIWRJIYIGU-UHFFFAOYSA-N 367.448 2.297 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)sc2C1 22131229 GKXMRFOKGOLYPO-SNVBAGLBSA-N 364.471 2.317 0 40 FEAB Cn1cc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cn1 25308814 IQQXACZBMXHYPY-MRXNPFEDSA-N 350.378 2.219 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Nc1cccc(COC[C@H]2CCCCO2)c1 56195162 XKVSGSZIYHOCAV-WMLDXEAASA-N 363.458 2.418 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)NCCC2=CCCCC2)Oc2ccccc21 20459604 RUYBCKPXURKIGL-QGZVFWFLSA-N 364.467 2.220 0 40 FEAB C[C@H]1OCC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br 95449008 FROLOMDGRUOZIC-RNCFNFMXSA-N 373.222 2.002 0 40 FEAB O=C1c2ccccc2C(=O)N1CCN1CCN(CCc2cccs2)CC1 58174553 RYUUUCFISWXBBK-UHFFFAOYSA-N 369.490 2.204 0 40 FEAB CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@H](C(=O)O)CC2=O)CC1 57328060 OGIBCCFIJGKECM-JSGCOSHPSA-N 364.829 2.156 0 40 FEAB CCS(=O)(=O)NCCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 58106888 OVSDARLEVNULJD-UHFFFAOYSA-N 352.500 2.071 0 40 FEAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC(=O)O)ccc12 2103472 OOPGGGUGZOPKIG-LBPRGKRZSA-N 361.394 2.412 0 40 FEAB biogenic Cc1cccc(-c2noc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)n2)c1 36396107 NMBKJUOJVXSMPW-KRWDZBQOSA-N 370.453 2.116 0 40 FEAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)OC(C)C 29692875 MAMLGVTVYOPEKY-HNNXBMFYSA-N 365.426 2.118 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)s1 2651183 DASITOZMSOLMFJ-ZDUSSCGKSA-N 360.435 2.207 0 40 FEAB O=C(OCC(=O)N1CCCc2ccccc21)[C@@H]1COc2ccccc2O1 2659174 PYJAISYNGVLKEA-SFHVURJKSA-N 353.374 2.349 0 40 FEAB Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)N1CCOCC1 2774893 JYQMIFKBZZGEEJ-MRVPVSSYSA-N 352.179 2.311 0 40 FEAB NC(=O)c1ccc(Cn2cnc3sc4c(c3c2=O)CCSC4)cc1 12804565 RBULXVDADAWAOZ-UHFFFAOYSA-N 357.460 2.395 0 40 FEAB CNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 9089650 DHQKKIXZNWYTPO-QPJJXVBHSA-N 363.420 2.449 0 40 FEAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(Cl)c(Cl)c1 13691197 HYVUHLYJXQIZAN-LBPRGKRZSA-N 371.224 2.349 0 40 FEAB COc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCC3)n2C)cc1 13879888 PWJOEVUSVVGLSQ-UHFFFAOYSA-N 356.426 2.437 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 4329074 CNRXRQZZUANFRI-GFCCVEGCSA-N 371.393 2.117 0 40 FEAB O=C(c1ccc(Cl)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 14020276 AJCJKBXCPBEWAO-UHFFFAOYSA-N 360.844 2.141 0 40 FEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 65565440 KYJQQZVZCYNIHJ-VSEZHWFZSA-N 350.802 2.194 0 40 FEAB CCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408614197 ZPOPFEYPUCEFQN-UHFFFAOYSA-N 353.271 2.281 0 40 FEAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 6882149 CHTTWFRTFVFGMI-CQSZACIVSA-N 361.467 2.101 0 40 FEAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(N)=O)o1 5937173 FMRPMVCJSLMIQJ-CSKARUKUSA-N 351.362 2.482 0 40 FEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 7782922 RKUDQSSBQIRIRI-UHFFFAOYSA-N 354.815 2.273 0 40 FEAB Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c1 8233391 UJCDDRXBXLAJCV-ZDUSSCGKSA-N 358.369 2.434 0 40 FEAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnsc1Cl 8314900 QINVXXUFHNLYGN-LLVKDONJSA-N 361.814 2.336 0 40 FEAB C[C@@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)NCc1ccc(F)cc1 9722254 BJALGLWKBVXNCV-LLVKDONJSA-N 359.357 2.178 0 40 FEAB COC[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C 72295458 CRZYJMMKVMBODG-INIZCTEOSA-N 374.478 2.014 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)c1 72295250 FMMAQLKZWQCSHR-GOSISDBHSA-N 361.463 2.310 0 40 FEAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)sc1C 95480977 MYOAVDWGMVRQLV-ZDUSSCGKSA-N 373.434 2.225 0 40 FEAB COc1ccc(NC(=O)CN2CCN(CC(F)(F)F)CC2)cc1Cl 95469874 QDTOESUTGLTWSY-UHFFFAOYSA-N 365.783 2.467 0 40 FEAB CCCCS(=O)(=O)NCC(=O)N(Cc1ccco1)Cc1ccco1 95445123 WIOBYYCRVXQOQP-UHFFFAOYSA-N 354.428 2.121 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 20014592 LXSUUBWJRWNOSF-UHFFFAOYSA-N 350.415 2.153 0 40 FEAB O=S1(=O)CCC(CSc2nnc(NC[C@H]3CCCO3)s2)CC1 89598142 HLEBGQQDAOSZGL-LLVKDONJSA-N 363.530 2.046 0 40 FEAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 21821457 GVURXIXUENVLNU-UHFFFAOYSA-N 364.375 2.437 0 40 FEAB c1coc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306140133 ULIJUOWRGWNNLH-OAHLLOKOSA-N 353.426 2.148 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 23886291 ZRRMZOOUQSWXKK-GFCCVEGCSA-N 350.362 2.458 0 40 FEAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306144713 ZMUQFUKONPMWHJ-GFCCVEGCSA-N 361.373 2.081 0 40 FEAB CC(C)Cc1ccc([C@@H](C)c2nc(NC(=O)CCn3cnnn3)n[nH]2)cc1 524735725 UTMIYXQREGFHFK-CYBMUJFWSA-N 368.445 2.170 0 40 FEAB CCN(CC)CCCNC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 32610881 IVCJYBITCJQTSI-UHFFFAOYSA-N 366.897 2.317 0 40 FEAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccco1 71980590 AAQDJZRSRLHPFV-INIZCTEOSA-N 370.405 2.198 0 40 FEAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 217512855 ADVYZRYSVWLLEI-UHFFFAOYSA-N 370.471 2.078 0 40 FEAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72375235 QURQUBFTWZMKRH-HNNXBMFYSA-N 361.471 2.472 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1 223518651 GDNBMOCPNLNFJH-UHFFFAOYSA-N 364.811 2.480 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCC(C)CC1 223258627 VHYWEYLHNKPSMW-UHFFFAOYSA-N 368.499 2.137 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1F 225110642 SFLLFVNFYNPCCE-UHFFFAOYSA-N 353.371 2.431 0 40 FEAB Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCOCC2)n1 44902534 LNCGADSIUIULTM-HNNXBMFYSA-N 374.466 2.043 0 40 FEAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)N3CC(=O)N(C4CC4)C3)cc2)C1 578602260 HQEUOPIMUKHDMO-MRXNPFEDSA-N 370.497 2.392 0 40 FEAB Cc1cnc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 96239020 ZLEDHFVPJRHOJL-LJQANCHMSA-N 352.394 2.147 0 40 FEAB O=C(N1CCCC1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239023 RFOFBNMPPSTTMJ-IBGZPJMESA-N 357.410 2.060 0 40 FEAB CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CC2)C1 96044951 PGFYUJKKPCQJMJ-OAHLLOKOSA-N 357.458 2.111 0 40 FEAB CS(=O)(=O)c1ccccc1CN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O 333891942 HDRXJIJHNYDKSY-QEJZJMRPSA-N 362.451 2.185 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2cccnn2)C1 257284968 PFCCPRZVKJHDPW-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3F)CC2)n1 253537281 JGUOJCYLGQBLQN-ZDUSSCGKSA-N 374.416 2.182 0 40 FEAB CS(=O)(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 257318068 VMJFJDMMJBWGSL-UHFFFAOYSA-N 361.471 2.219 0 40 FEAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)nc1 257237481 HGRBXJBVTZUALV-KRWDZBQOSA-N 350.426 2.163 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2ccc(C)s2)n1 257298345 RLHHNFZUKJLLQU-KRWDZBQOSA-N 358.467 2.389 0 40 FEAB Cc1nc2cc(CCC(=O)N3CCC[C@@](O)(CN(C)C)CC3)ccc2[nH]1 257319439 VSODJXQTDPGDPD-FQEVSTJZSA-N 358.486 2.109 0 40 FEAB O=C1NCc2ccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)cc2N1 1776005076 AFVMXSOTISPNJE-UHFFFAOYSA-N 371.462 2.219 0 40 FEAB COc1cccc(CNC(=O)C(=O)NCc2ccc(OC(C)C)cc2)c1 298120909 UKGDDXSTVABELQ-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCC[C@H](O)CC1 297263781 KECDHUBPVWJIJT-SWLSCSKDSA-N 369.824 2.141 0 40 FEAB COc1ccc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)cc1Cl 585093426 VWDOMQISYZQDHH-OAHLLOKOSA-N 358.772 2.336 0 40 FEAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CCCC1)C2 585104343 HIDCVSPQNUOOPJ-IBGZPJMESA-N 358.482 2.428 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCOCCN1 1227579093 UCQRBXPZZSNFPX-LBPRGKRZSA-N 359.257 2.119 0 40 FEAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(C2CC2)[nH]n1 58061745 VCMWOKNUFIGMTD-INIZCTEOSA-N 369.469 2.353 0 40 FEAB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)c1 249059651 GGIMMAYCCRJNFP-XTZNXHDOSA-N 368.318 2.145 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N4CCCCC4)nc3c2c1C 12144871 HINWFUZQODKOHL-UHFFFAOYSA-N 359.455 2.043 0 40 FEAB Cc1ccc(=O)n(CC2(O)CCN(Cc3cccc4ncccc34)CC2)n1 12187750 HBBNEOXAYQQPNL-UHFFFAOYSA-N 364.449 2.127 0 40 FEAB COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O 13673778 LDWIBOAZAQIPFZ-UHFFFAOYSA-N 360.435 2.051 0 40 FEAB O=c1cc(CCCN2CCOCC2)nc(N[C@H]2CCc3ccccc32)[nH]1 19375184 YBCYAXKSAOMUQG-SFHVURJKSA-N 354.454 2.134 0 40 FEAB Cc1cc(NCCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c2ccccc2n1 19656284 HSACMSMQBPKCMF-OAHLLOKOSA-N 354.454 2.328 0 40 FEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 3234078 HPTIFMDZYFQKHI-KWQFWETISA-N 350.234 2.227 0 40 FEAB C/C=C/C=C/C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 5703290 GASHKRKMFCCEPI-RKEQOFPCSA-N 355.394 2.098 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4nccn5nc(C)cc45)C[C@H]3C2)c1F 1888897350 IPCGEWOWHBDHKB-KBPBESRZSA-N 367.432 2.102 0 40 FEAB CN1CCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2C1=O 1256077159 HDVLSLYOHPKWLE-UHFFFAOYSA-N 352.362 2.394 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccncc4)CC3)nc(C)n2)n1 1889139870 SGECQNPPGWDCCU-UHFFFAOYSA-N 363.469 2.305 0 40 FEAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4cncnc4)C3)C2)n1 2056223699 BDAJPQTUXZRECJ-LJQANCHMSA-N 352.442 2.098 0 40 FEAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cc(F)ncc1F)CC2 1565551313 LTLXQBXWQPXGCO-UHFFFAOYSA-N 361.348 2.091 0 40 FEAB O=C(c1csnn1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 1565546472 CJKQDXGBYVPUTI-UHFFFAOYSA-N 357.483 2.452 0 40 FEAB C[C@@H]1CN(Cc2cn[nH]c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055731746 RCRYAZBTEZTASY-LJHODMEESA-N 355.442 2.203 0 40 FEAB CCN1CCN([C@H](c2cccc(OC)c2)c2sc3ncnn3c2O)CC1 22031310 LMUYYWGUGBZRPU-OAHLLOKOSA-N 373.482 2.232 0 40 FEAB CCN1CCN(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)C(=O)C1=O 206875584 ZWZWEKWJXZNDRM-HNNXBMFYSA-N 361.417 2.206 0 40 FEAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NC(C)C 41107908 AEWKSCQPRSPBAY-UHFFFAOYSA-N 360.439 2.424 0 40 FEAB CC1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 30969562 YMFKDMLMGVLKKM-JBAZFKOSSA-N 361.417 2.288 0 40 FEAB O=C(COC(=O)COc1ccc(Br)cc1)NCC(F)(F)F 32910259 NZNVTEUAVMGARM-UHFFFAOYSA-N 370.121 2.050 0 40 FEAB O=C(Nc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1)c1ccccc1 47172533 XWHCVQIMDVQGAF-KRWDZBQOSA-N 351.406 2.337 0 40 FEAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc[n+]1[O-] 47272155 LHFLLMLINPYXQL-UHFFFAOYSA-N 351.156 2.106 0 40 FEAB O=C1C=CC(=O)N1c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1 826893 XOJRVZIYCCJCRD-UHFFFAOYSA-N 360.325 2.338 0 40 FEAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCC1 810930 ZSEXJHGFRWQTMP-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB Cc1cc(=O)n([C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cn1 820541 ZOTNKWUZJMXHQA-LLVKDONJSA-N 350.589 2.444 0 40 FEAB CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 902723 QQHYVOKKINATQM-ZDUSSCGKSA-N 355.442 2.267 0 40 FEAB O=C(CSc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 7535723 KWMSSQJBQXSBBM-UHFFFAOYSA-N 350.394 2.196 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2CCN(C3=NC[C@H](C)S3)CC2)cc1 72312014 QZAJUCFHXWSPDQ-KBPBESRZSA-N 362.499 2.131 0 40 FEAB CC(C)[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1C[C@H](C)O[C@H](C)C1 106531467 WVUCXHCFROEYSO-JTDSTZFVSA-N 371.485 2.399 0 40 FEAB Fc1ccccc1-c1nnc2ccc(N3CCC4(CC3)OCCO4)nn12 57137828 VZEUDQTZQDUBAP-UHFFFAOYSA-N 355.373 2.274 0 40 FEAB CCCCNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35310672 QDNULUSNBIISRH-UHFFFAOYSA-N 352.866 2.088 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 57485875 PNYNVMINVMMZIA-UHFFFAOYSA-N 369.446 2.224 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)NCCSc1ccccc1 57619617 YWNCHGVVHNVBBQ-UHFFFAOYSA-N 371.506 2.423 0 40 FEAB COc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 107728311 GQGJJUPTGWJLGK-APWZRJJASA-N 358.417 2.470 0 40 FEAB C[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)N1CCNC1=O 10028949 DRTUVPJOFOYGEB-LLVKDONJSA-N 357.439 2.177 0 40 FEAB CCn1c(=O)c2ccccc2n2c(COC(=O)c3ccc(C)nc3)nnc12 23519400 SVZGPNGTBMSKGD-UHFFFAOYSA-N 363.377 2.125 0 40 FEAB NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2sccc2C1 58191257 SOPARMWJEAQWLO-UHFFFAOYSA-N 350.827 2.464 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)n1 58173109 PSDWXTWBRYDAQL-KRWDZBQOSA-N 356.426 2.215 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 19356879 YFZBJVGRKBSUSK-UONOGXRCSA-N 363.483 2.152 0 40 FEAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCO[C@@H](C)C3)c2)n1 48317550 BAKMTLXFKQANSI-ZDUSSCGKSA-N 358.398 2.302 0 40 FEAB CCOC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 10112249 VRSXEVSOHFGLGN-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1 29489431 COZSTILXRXWVNN-UHFFFAOYSA-N 361.442 2.393 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)CCC(=O)N3)n1 21488426 ZMUKVPZHXFVKOB-UHFFFAOYSA-N 359.407 2.386 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3492859 LWIHQOUADBGZFT-UHFFFAOYSA-N 368.850 2.032 0 40 FEAB Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)n2ncnc2n1 12972668 GTBMZJYNRXEVSK-MRXNPFEDSA-N 356.405 2.057 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc2c(cc1Cl)OCO2 12917673 GGYVUYJXHQMSLL-UHFFFAOYSA-N 357.753 2.417 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCCCCC1 3600596 ATEDCZABWWQVRO-FQEVSTJZSA-N 355.438 2.173 0 40 FEAB COc1cc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc(OC)c1OC 9114780 FKBKGYACMFEEAI-INIZCTEOSA-N 357.362 2.433 0 40 FEAB CC(C)CN1C(=O)N[C@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O 5047486 DHYJNYNLZUGKQV-AWEZNQCLSA-N 361.295 2.022 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)Cc1ccco1)C2=O 39543972 IWGYIRVFRZCSJH-ORAYPTAESA-N 361.442 2.375 0 40 FEAB Cn1nc(CC(=O)Nc2nc(C(C)(C)C)ns2)c2ccccc2c1=O 65577605 QRDBLFVJDQYNDV-UHFFFAOYSA-N 357.439 2.264 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 14159380 AFMFLHFYDSMIGZ-UHFFFAOYSA-N 356.378 2.228 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 14188467 ZUFUENMJZTUDDR-OAHLLOKOSA-N 362.332 2.442 0 40 FEAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5416079 CZLHVFAXRBNENZ-GFCCVEGCSA-N 366.373 2.370 0 40 FEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 4941396 NODJBOFPELBVMD-UHFFFAOYSA-N 354.453 2.315 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCc3ccccc32)c1 7348189 TUVQOFNWOPNTHT-UHFFFAOYSA-N 353.422 2.155 0 40 FEAB C[C@@H](CNC(=O)[C@H]1COCCO1)Sc1ccc(Br)cc1 68568312 ZWEBBIUSDZRAAO-GXFFZTMASA-N 360.273 2.461 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)NCc1cn2ccccc2n1 7944046 LSJGYJDRHIKOOR-UHFFFAOYSA-N 350.378 2.339 0 40 FEAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 8133425 MOWGITLUVHQOOT-OAHLLOKOSA-N 357.454 2.253 0 40 FEAB COCCCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 8231668 AVACNJANFQYMKD-UHFFFAOYSA-N 356.835 2.171 0 40 FEAB COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1OC 18181303 PQPHOPGVOYXTAH-VQHVLOKHSA-N 353.422 2.461 0 40 FEAB O=C(N[C@H]1CCc2nc(N3CCOCC3)ncc2C1)c1ccc(Cl)cc1 306140060 UILGYRNTSPEYRN-INIZCTEOSA-N 372.856 2.254 0 40 FEAB COC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1 8844243 SKGJEQRPYLHMAL-UHFFFAOYSA-N 373.434 2.166 0 40 FEAB CCCCn1nc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)O)ccc1=O 95425400 XSUVURADPDFWPT-INIZCTEOSA-N 371.437 2.025 0 40 FEAB COCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088964 UUFABYOJMDJUCQ-UHFFFAOYSA-N 365.227 2.086 0 40 FEAB CCOC[C@H]1CN(C(=O)Nc2cc(-c3ccsc3)nn2C)CCO1 529086444 SSOMURRAZXDWSG-CYBMUJFWSA-N 350.444 2.418 0 40 FEAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217468492 MPSJCHWRRJOYSJ-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 34087016 DPPLEOROVGYKEO-UGSOOPFHSA-N 373.453 2.351 0 40 FEAB C[C@H](NC(=O)c1nc(COc2ccccc2C(N)=O)no1)c1ccccc1 36357387 KHCPTEMYTSBPJX-LBPRGKRZSA-N 366.377 2.239 0 40 FEAB Cc1ccsc1[C@@H](O)CNC(=O)C(=O)NCc1ccccc1Cl 70635828 QTGKSKGCRKDMAT-ZDUSSCGKSA-N 352.843 2.176 0 40 FEAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 70666302 PBWCYOHYYMLSNC-NWDGAFQWSA-N 360.366 2.258 0 40 FEAB biogenic C[C@H]1CC(=O)Nc2c1c(NC(=O)C(=O)c1c[nH]c3ccccc13)nn2C 35597812 YPVYHGKEZJROGD-VIFPVBQESA-N 351.366 2.169 0 40 FEAB O=C(c1ccc(N2CCCC2)nn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 180165454 CFFIWECHPWKFJK-CXAGYDPISA-N 374.391 2.303 0 40 FEAB O=C(O)CCCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391488 URQTXFFYCANSFO-UHFFFAOYSA-N 367.340 2.110 0 40 FEAB CC(=O)Nc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 85878240 IADAVUHJHCCODZ-WBVHZDCISA-N 365.433 2.109 0 40 FEAB biogenic CSc1nnc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)s1 224206380 RNGZPLHYQMKCPX-UHFFFAOYSA-N 358.470 2.192 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344253 HWXDEZJHMITXNW-CYBMUJFWSA-N 352.369 2.371 0 40 FEAB O=C(O)c1coc(N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)n1 580836410 AZLKLFNFMLRHEB-NWDGAFQWSA-N 355.316 2.815 0 40 FEAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CCCCCC3)C2=O)cc1 96231943 VJABMBOBRRLIRL-KRWDZBQOSA-N 373.453 2.345 0 40 FEAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 331796222 IQYXPNFCOJZSGN-KFKAGJAMSA-N 372.513 2.426 0 40 FEAB Nc1c(C(=O)NCCN2C(=O)COc3ccccc32)sc2ncccc12 1598413478 UHVQCXFAYUPZCM-UHFFFAOYSA-N 368.418 2.034 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CO)cc1 252517023 YZCITRQNVYXEPP-ZACQAIPSSA-N 351.855 2.278 0 40 FEAB COc1ccc([C@@H]2C[C@](C)(NC(C)=O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1O 257309583 UBLXNVXMRPLHLO-JBCQCRMPSA-N 361.438 2.453 0 40 FEAB Cc1cc(N)cc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257292284 QKUDJIPLRAMHJO-SFHVURJKSA-N 352.442 2.205 0 40 FEAB CCn1nc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)cc1C 257205021 AXHLIRPVSITUDJ-SFHVURJKSA-N 355.442 2.220 0 40 FEAB Cc1cnn(CC(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccccc2)CO3)c1 257224937 FEANEABQYGQFBO-LJQANCHMSA-N 368.481 2.478 0 40 FEAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2CC(=O)N(C)C)n1 257216198 CTNMKRIHLXLCKQ-INIZCTEOSA-N 354.458 2.457 0 40 FEAB CCn1cnc2c(NCc3ccccc3CN3CC[C@H](O)C3)ncnc21 273045549 AQNFCABQOGOLFE-INIZCTEOSA-N 352.442 2.025 0 40 FEAB C[C@H]1CN(C(=O)NC2CCN(c3cccnn3)CC2)Cc2ccccc2O1 292673119 PCLTVJHXQSKVJK-HNNXBMFYSA-N 367.453 2.438 0 40 FEAB O=C(N=c1ccc(C(F)(F)F)n[nH]1)N[C@H]1CCO[C@H](c2cccnc2)C1 652938782 VLWVVUFGKMOCSR-RYUDHWBXSA-N 367.331 2.354 0 40 FEAB Cn1nc2c(cc1=O)CN(C(=O)NCc1ccc(Cl)c(Cl)c1)CC2 666542310 PKJUAEPEWKVMBN-UHFFFAOYSA-N 367.236 2.355 0 40 FEAB Cc1cncc(C(=O)N2CC3(CC[C@@H](CN4CCCCC4=O)CO3)C2)c1 575406198 VYJPDXFQZAKBMP-INIZCTEOSA-N 357.454 2.024 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406087 VLTNXVSMBYUQMR-FUHWJXTLSA-N 366.417 2.224 0 40 FEAB O=C(NCCn1cccnc1=O)c1cc(Br)ccc1Cl 667367861 NMKWEWXPPXFWKS-UHFFFAOYSA-N 356.607 2.089 0 40 FEAB CCN(CC)C(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 53196906 LGFZPPYLTYZQOW-UHFFFAOYSA-N 357.454 2.367 0 40 FEAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 55097385 FGPUSAFGOGJSNL-SFHVURJKSA-N 371.481 2.199 0 40 FEAB C[C@H](Cc1ccco1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 75358650 XGEPZAKIOYZWTJ-DSRCVFDASA-N 351.472 2.053 0 40 FEAB COC(=O)c1ccc(CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1 77154192 SZDNIDDIBNFCCC-UHFFFAOYSA-N 370.453 2.083 0 40 FEAB Cc1ocnc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615124524 XUPZMCWJWNUQLC-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB CC(C)n1nccc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225379 VKUOZXAGJAVSKW-UHFFFAOYSA-N 368.437 2.261 0 40 FEAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCCc1c[nH]c3ccccc13)CS2 12236639 YCNDUOVCRWYXJG-CQSZACIVSA-N 368.462 2.429 0 40 FEAB Cc1nccc(-c2cccc(-c3noc(CN4CCC[C@@H](O)C4)n3)c2)n1 19287595 PYUYAMMYZOAVMM-MRXNPFEDSA-N 351.410 2.459 0 40 FEAB COCCC(=O)N[C@H](c1cc(N(C)C)nc(-c2ccncc2)n1)C(C)C 19445683 AOEBGACJJQSFOS-SFHVURJKSA-N 357.458 2.454 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 19709499 NHEFOGRGUVSBMY-SFHVURJKSA-N 367.497 2.023 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1 8180369 FDVKKFYQZDXHRM-GDNBJRDFSA-N 360.391 2.311 0 40 FEAB COc1ccccc1[C@@H]1CN(Cc2cnn(C)c2)C[C@]12CCCCC(=O)N2 643912121 QXSUOSNYFICNKC-GHTZIAJQSA-N 368.481 2.457 0 40 FEAB COc1cc(Br)c2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CCNC2 34033245 AFUUXYKUROZLEN-VAHXTSCQSA-N 352.228 2.271 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 5360831 BSGADQZMLNIYTO-UHFFFAOYSA-N 366.377 2.060 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CCn2cccn2)CC1 1888879588 RXBKOEJHPLTHGL-UHFFFAOYSA-N 369.444 2.453 0 40 FEAB C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1F 23702434 ALBMJHVKLKUPEQ-AWEZNQCLSA-N 360.408 2.359 0 40 FEAB O=C1CO[C@@]2(CCCN(Cc3cncnc3)CC2)CN1c1ccc(F)cc1 2037841085 VUDOJNMDSNDTPP-HXUWFJFHSA-N 370.428 2.404 0 40 FEAB O=C(Nc1nc2c(s1)COC[C@@]21CCN(C(=O)CCF)C1)C1CCC1 1565556472 UTGRMZQPSCNOJD-KRWDZBQOSA-N 367.446 2.242 0 40 FEAB COCC(=O)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 12128454 QKOMMFAOAPJCTA-UHFFFAOYSA-N 365.393 2.085 0 40 FEAB COc1cc2ncnc(N3CCC(C(=O)NC4CC4)CC3)c2cc1OC 2086884737 QVTCMMYJHBKYIX-UHFFFAOYSA-N 356.426 2.142 0 40 FEAB O=C(COc1ccc(F)cc1)NCCN1CCO[C@H](c2ccccc2)C1 36699903 ZZEXWZGKRGXWPQ-IBGZPJMESA-N 358.413 2.394 0 40 FEAB Cc1ccccc1C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1 42382976 HACFEQOICTXYDN-UHFFFAOYSA-N 357.479 2.244 0 40 FEAB Cc1cc(C)n([C@H](CNC(=O)c2cccn(C)c2=O)c2ccsc2)n1 575614201 PHVGGDUAZPUDKJ-MRXNPFEDSA-N 356.451 2.280 0 40 FEAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1cccc2nsnc12 575620968 SDTDALUUEOYRQU-UHFFFAOYSA-N 373.419 2.220 0 40 FEAB COc1ccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2C(=O)O)cc1 12116204 QDYCXWRBTONFCN-JKSUJKDBSA-N 369.421 2.238 0 40 FEAB NC(=O)CN1CCC(NCc2ccccc2OCc2ccccc2)CC1 40088614 DORVACDAPCEWRB-UHFFFAOYSA-N 353.466 2.305 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2ccccc2O)CC1 30982008 QKQQUKKXJFQJFZ-OAHLLOKOSA-N 369.421 2.064 0 40 FEAB COc1cccc(CN(C)S(=O)(=O)NCCc2ccccc2F)c1 32804276 PVJVGSXZXVUQLG-UHFFFAOYSA-N 352.431 2.343 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccnn1C1CCCC1 102893849 QAUDAXKLUJYONF-GASCZTMLSA-N 356.426 2.278 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@H](C)O[C@@H](C)C3)[nH]c(=O)c2c1C 33409936 JNPHOWPHAGCTGA-UWVGGRQHSA-N 365.455 2.079 0 40 FEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@](C)(COc1ccccc1)C(=O)O 95424639 KKRGTWRCILHAOR-HXPMCKFVSA-N 359.426 2.179 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 104081007 QCDJULKKOGCSLU-KKUMJFAQSA-N 358.438 2.356 0 40 FEAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccccc1 4352366 DQFLEGHFSJDUCD-UHFFFAOYSA-N 352.346 2.136 0 40 FEAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 54506470 KVSVPWGNWJXJRN-UHFFFAOYSA-N 353.831 2.008 0 40 FEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 6948435 ISJFHEUVHDXPTA-ZROIWOOFSA-N 364.423 2.306 0 40 FEAB O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882628 WKTWNMHJNCMYRC-LBPRGKRZSA-N 369.333 2.285 0 40 FEAB CC(=O)c1c(F)cccc1N1CCN(c2ncnc3c2cnn3C)CC1 42848547 PSJDMXZNXATHFV-UHFFFAOYSA-N 354.389 2.032 0 40 FEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 8328433 TVZAAIISUJCZCK-INIZCTEOSA-N 366.417 2.436 0 40 FEAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nn1C 8635414 MLYKFCIDVLZPPR-ZNMIVQPWSA-N 357.458 2.177 0 40 FEAB biogenic,in-vitro C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 12574916 JZVOOFFPBFPSBN-LBPRGKRZSA-N 372.450 2.020 0 40 FEAB Cc1nc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 12547920 SVMVCLQEQRAACF-HNNXBMFYSA-N 369.446 2.251 0 40 FEAB CCSCCC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 56027140 WAAZWLHDRCEXNN-UHFFFAOYSA-N 366.483 2.131 0 40 FEAB O=C(Cc1ccc(OC(F)F)cc1)NN1C(=O)NC2(CCCCC2)C1=O 25992121 DFEDSICNVPKVJY-UHFFFAOYSA-N 367.352 2.116 0 40 FEAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCc2sccc2C1 57442510 PLJGAZWLHJQATR-UHFFFAOYSA-N 373.478 2.023 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)c1 27164269 VUSLMJKIEHIPRH-IBGZPJMESA-N 350.418 2.425 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 57988843 FECFMSBTVJPYIH-ZIAGYGMSSA-N 363.458 2.323 0 40 FEAB O=C([C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1 48264549 RJMRDZHDHJSIAO-HNNXBMFYSA-N 358.360 2.408 0 40 FEAB NC(=O)COc1cccc(COC(=O)C2(c3ccccc3)CCOCC2)c1 58191303 DBQJKHRWPLXDFM-UHFFFAOYSA-N 369.417 2.342 0 40 FEAB O=C(COc1ccc(Br)cc1)Nc1cccnc1-n1cncn1 58193006 UVKPPAWFTKYCGJ-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 58167210 ZLUHIPKZCXVSHS-UHFFFAOYSA-N 371.409 2.316 0 40 FEAB O=S(=O)(CCN1CCc2[nH]ncc2C1)c1ccc(Br)cc1 95398687 OVDNFAQZRINFAJ-UHFFFAOYSA-N 370.272 2.004 0 40 FEAB C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1NC(=O)c1ccsc1 58226383 FPZPKZUFLRBACM-AWEZNQCLSA-N 373.478 2.451 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58268575 VUZNCQFCCRCELW-UHFFFAOYSA-N 366.396 2.229 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCCC[C@H]3C(=O)O)c(=O)oc2c1 2103773 PLXXRMIOJWENQI-HNNXBMFYSA-N 359.378 2.118 0 40 FEAB biogenic CCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 58316565 FZTQFZPQSGILIB-CVEARBPZSA-N 370.902 2.374 0 40 FEAB Cn1cc(CN2CCC[C@]3(CC2)CCN(Cc2ccncc2)C3=O)cn1 108525248 WRKRYXMERSLKJN-FQEVSTJZSA-N 353.470 2.220 0 40 FEAB O=C(COc1ccccc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 10732126 LMQKPWZGBVHSLH-UHFFFAOYSA-N 372.396 2.097 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1C 2366393 YHSWWHRRGBPGOZ-UHFFFAOYSA-N 370.438 2.402 0 40 FEAB O=C(CNc1cc(Cl)ccc1F)NN1C(=O)NC2(CCCCC2)C1=O 45668114 NCHGYKDELCELCQ-UHFFFAOYSA-N 368.796 2.177 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CNC[C@H]2COc3ccccc3O2)c1 2629252 KVZPZSCYPJCPEG-WMZOPIPTSA-N 357.406 2.059 0 40 FEAB O=C1CN(C(=O)COC(=O)Cc2ccc(Cl)cc2)c2ccccc2N1 3402324 HINIBLHNDCABPP-UHFFFAOYSA-N 358.781 2.411 0 40 FEAB O=C(NCc1cccs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 25713063 OXLNRJBJSUQCQQ-OAHLLOKOSA-N 368.455 2.357 0 40 FEAB COc1ccc(OC[C@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 22018844 KBIFSFLBFWSRBJ-CYBMUJFWSA-N 360.797 2.498 0 40 FEAB Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3c3cccs3)C2=O)cn1 118083851 HJMOXNHIHONKQX-ZIAGYGMSSA-N 359.455 2.134 0 40 FEAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCc2ccccc2C1 14203508 DELLVMMBIIWVLK-UHFFFAOYSA-N 356.447 2.425 0 40 FEAB CCc1ccccc1NC(=O)[C@H](Cc1ccc(O)c(OC)c1)c1nn[nH]n1 5445035 DMADQQRPNFRZQK-CQSZACIVSA-N 367.409 2.441 0 40 FEAB COc1ccccc1OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 14472134 HTAQHUUIYUJDME-UHFFFAOYSA-N 353.371 2.060 0 40 FEAB CC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 15842606 XSDKRSSOAZUFAZ-UHFFFAOYSA-N 372.402 2.208 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Br 7979211 PFTVYKJXJXQCLW-UHFFFAOYSA-N 366.215 2.252 0 40 FEAB COc1ccc(NC(=O)CCNC(=O)c2ccccc2OC)c(OC)c1 8131050 JRZIRRGYOIYRBN-UHFFFAOYSA-N 358.394 2.471 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409127810 RQGFCQLDBAOXAP-CQSZACIVSA-N 362.451 2.241 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc1 23078083 NFGYZYUMVMYYEF-ZDUSSCGKSA-N 353.378 2.153 0 40 FEAB COc1ccc2c(C[C@H]3[C@H](O)c4ccccc4S(=O)(=O)N3C)c[nH]c2c1 9476648 MMKJVQDMNYBDJE-PKOBYXMFSA-N 372.446 2.455 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccc(F)cc3)nc2c1 71768711 UOVOHRJBMAVNJB-UHFFFAOYSA-N 359.382 2.328 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)c1 72295251 FMMAQLKZWQCSHR-SFHVURJKSA-N 361.463 2.310 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc3ccccc3n(C)c2=O)cc1 72325110 UIYSSJXMNWXVBM-UHFFFAOYSA-N 365.433 2.234 0 40 FEAB biogenic CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 306134998 OEAYQDPWOIWVGO-YLJYHZDGSA-N 357.454 2.120 0 40 FEAB CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 511905235 FIWGYVOZUAIPKN-INIZCTEOSA-N 366.421 2.076 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3ccnn3C)C2)c1 1528392462 VGFGGRGGDWVYJU-CYBMUJFWSA-N 354.410 2.270 0 40 FEAB COc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)c1 72358875 FNFAAUIDPJOOES-INIZCTEOSA-N 354.454 2.420 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 224086860 OUCQGGPDVNHBPI-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOCc2ccccc2)cc1 224110640 HKKFHYYTORCUAI-UHFFFAOYSA-N 362.451 2.395 0 40 FEAB COC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44097280 CRRBYVREIARHGF-UHFFFAOYSA-N 357.292 2.039 0 40 FEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NC[C@@H]1CCCO1 225738381 AKVUNTLXMHMZRQ-LBPRGKRZSA-N 365.227 2.059 0 40 FEAB Cc1sc2[nH]c([C@@H](C)N3CCN(c4cnccn4)CC3)nc(=O)c2c1C 40049864 ISMHFFDOGLWAHX-GFCCVEGCSA-N 370.482 2.275 0 40 FEAB CC[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)N1CCO[C@H](CC)C1 332274553 IBYDMPHMYBCMMO-CEXWTWQISA-N 373.497 2.140 0 40 FEAB COc1cccc(C(=O)N2CCc3ncnc(N4CCCC4)c3CC2)c1 96255465 QBFWKNNVYNHSJT-UHFFFAOYSA-N 352.438 2.326 0 40 FEAB CN1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3ccccc3)CC[C@@H]12 96145298 QBDZNKJDIGNIBB-WIYYLYMNSA-N 355.482 2.236 0 40 FEAB CC(C)CNC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244319 NBOXDXAPDXULOA-FQEVSTJZSA-N 367.453 2.378 0 40 FEAB Cc1ccc(OCC(=O)N2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)cc1 248017554 LIVJDRKCIXYXNK-KRWDZBQOSA-N 369.421 2.003 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cc(C(C)C)no2)n1 257222456 DTJMRQXSBSETKP-MRXNPFEDSA-N 357.414 2.201 0 40 FEAB C[C@]1(NC(=O)c2ccnc(Cc3cccc(F)c3)c2)CCS(=O)(=O)C1 257237778 HIDKWOWBMVGVMV-SFHVURJKSA-N 362.426 2.119 0 40 FEAB Cc1noc(C)c1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253471716 DZNRWOVPRKAYIF-UHFFFAOYSA-N 354.395 2.388 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(C[C@@H]3CC=CCC3)C2)c2nccnc21 257239297 HORUMCVFBISZSI-SJORKVTESA-N 368.485 2.108 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)n1 257312913 UQDZNKQFVSEPIM-OAHLLOKOSA-N 357.458 2.432 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257344740 ZYMPZCHPLNDYFQ-IBGZPJMESA-N 352.438 2.286 0 40 FEAB O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCO[C@@H](CCc2ccccc2)C1 363780572 QDAKXIBJEHVHSX-MSOLQXFVSA-N 354.454 2.310 0 40 FEAB Cn1cc(O[C@@H]2CN(Cc3ccc(F)cc3C(F)(F)F)C[C@H]2O)cn1 628376457 WPNKMPFWMSMAJZ-HUUCEWRRSA-N 359.323 2.202 0 40 FEAB CCc1ccc(-c2noc(CN[C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)n2)cc1 643963679 CZAVFAIXFIENBO-KURKYZTESA-N 356.470 2.376 0 40 FEAB COc1cccc([C@H](NC(=O)c2cccc3c2OCCCO3)C(=O)O)c1 659174797 JBEIXVIKIJHHFX-INIZCTEOSA-N 357.362 2.412 0 40 FEAB O=C(NCc1ccccc1)[C@@]12C[C@@H](n3cc(CCCCCO)nn3)[C@@H]1C2 1775997458 JLTDCDXTTLLRAY-NSHGMRRFSA-N 354.454 2.251 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCCC3)c(F)c1 560623851 DYJSKVXMHDJCBY-UHFFFAOYSA-N 350.371 2.050 0 40 FEAB Cc1cc(F)ccc1CC(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093409 VDXNWMUHBAQNAQ-KRWDZBQOSA-N 354.372 2.393 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H](C)C2 585097730 NNGOIYRKUCQCQF-LLVKDONJSA-N 350.369 2.098 0 40 FEAB CN(C)CC(=O)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1 585095284 NHPGDXGGVRHLLI-OAHLLOKOSA-N 360.433 2.011 0 40 FEAB C[C@@H](COc1ccc(F)cc1F)NC(=O)CNC(=O)Cc1ccccc1 55697542 HAKXMDRCAKKFOB-ZDUSSCGKSA-N 362.376 2.207 0 40 FEAB CSc1nc(C(F)F)cc(N2CCN(Cc3nc(C)no3)CC2)n1 575002258 CATGNEBCOIFNSF-UHFFFAOYSA-N 356.402 2.150 0 40 FEAB CC(C)N1CCC(N2CCO[C@](CO)(Cc3cccc(F)c3)C2)CC1 1615160104 YKTQLULKHOTXOZ-HXUWFJFHSA-N 350.478 2.304 0 40 FEAB Cc1cccc(-c2nnc(SCC(=O)NCc3ccccc3)n2N)c1 5257253 GKTXFIMTUNWSMP-UHFFFAOYSA-N 353.451 2.376 0 40 FEAB O=C1N[C@]2(COC3(CCN(Cc4cccnc4)CC3)C2)Nc2ccccc21 12085520 HZJXRPBOLHAKJQ-OAQYLSRUSA-N 364.449 2.388 0 40 FEAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)c4ccccn4)C3)nc12 12276430 VZEVNLDAVUOAHV-ZDUSSCGKSA-N 351.410 2.330 0 40 FEAB Cc1nnc(SCC(=O)Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)s1 13636323 HHYHXCWNAKBYDU-ZETCQYMHSA-N 363.468 2.441 0 40 FEAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13669901 IDFXPPSZZBEJHY-AWEZNQCLSA-N 374.462 2.439 0 40 FEAB CC(=O)c1cccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)c1 15351134 FOUBGJYCQJXLEM-UHFFFAOYSA-N 364.405 2.196 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n[nH]1 19083681 IZQKPEPBMQQSBZ-CQSZACIVSA-N 354.458 2.120 0 40 FEAB O=C(COc1ccccc1F)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 19350169 QBTNCDBGTHHXSM-ZDUSSCGKSA-N 367.380 2.457 0 40 FEAB COc1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)ccc1O 19550093 GENXVXZPHPRAEX-UHFFFAOYSA-N 351.406 2.169 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n1 19572855 DFYMBFBQIDVHDA-YJBOKZPZSA-N 368.485 2.250 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 19662344 AAAQXSAYLMZLHG-UHFFFAOYSA-N 369.328 2.318 0 40 FEAB Cc1cn2c(=O)c(C(=O)N[C@H](CCN(C)C)c3ccccc3)cnc2s1 19717140 IRTBSLTUSDYHNM-MRXNPFEDSA-N 370.478 2.487 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(OCC(N)=O)c1 19874127 UDDBIYIFZWZDJA-IBGZPJMESA-N 351.406 2.276 0 40 FEAB Nc1ccc2nn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1 226305620 NZARKCJVPKHFLZ-UHFFFAOYSA-N 357.439 2.177 0 40 FEAB Cc1nc(Cc2nnc(SCC(=O)NC(=O)NC(C)(C)C)o2)cs1 11104228 OJNSHXLZRKCQAO-UHFFFAOYSA-N 369.472 2.142 0 40 FEAB CC(C)(C)c1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(C2CC2)n1 1888856950 ZQFKPGRFFWCNSO-HNNXBMFYSA-N 358.486 2.479 0 40 FEAB CSc1nc2c(c(N3CCN(c4ccn5nccc5n4)CC3)n1)CCC2 1888900986 VTZAZJQDVXOLNM-UHFFFAOYSA-N 367.482 2.057 0 40 FEAB Cc1cnn(CC2CN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)c1 1848762607 TZKVDWHXCFZLLM-UHFFFAOYSA-N 355.438 2.442 0 40 FEAB Cc1oncc1CN1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 238812141 AOHVKWMMFTXICC-UHFFFAOYSA-N 351.410 2.127 0 40 FEAB O=C(c1cc[nH]c1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@H]2C1 2055713290 VDCPKQVGSMNCLV-GOSISDBHSA-N 353.470 2.457 0 40 FEAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ncccn1 22732270 ALKITBSTPRUITG-GFCCVEGCSA-N 366.468 2.110 0 40 FEAB CCn1ccc2ccn(CCNC(=O)c3ccc4nsnc4c3)c(=O)c21 575618814 WJIQTKQLTYANCB-UHFFFAOYSA-N 367.434 2.258 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575617101 YRAUXASTKRZOHD-FHLIRTJZSA-N 350.484 2.078 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](OCCO)c1cccs1 575619429 DXJLAUIHNNGASN-ZDUSSCGKSA-N 359.444 2.224 0 40 FEAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCO)cc1 13510930 FOWKRWYXEZPODA-XMHGGMMESA-N 368.433 2.353 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)c2ccsc2)cc1 96103342 DBKNXRUDISNLCA-AWEZNQCLSA-N 355.437 2.201 0 40 FEAB CC(C)(C)N1CCC(NC(=O)CN2C(=O)CCOc3ccccc32)CC1 40155242 ZCSILYURWDKKMX-UHFFFAOYSA-N 359.470 2.181 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 40160874 YDYNYGUNBRUSAF-HNNXBMFYSA-N 355.438 2.179 0 40 FEAB c1ccc(Cn2cc(CNCc3cccnc3N3CCOCC3)cn2)cc1 30901695 RWECRBRPZVSDIT-UHFFFAOYSA-N 363.465 2.453 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1N1CCCC1 102427760 QZPZDORKJFULJP-GJZGRUSLSA-N 355.438 2.401 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(Cn2cncn2)cc1 22613623 RVRIGRCOEFXUIF-UHFFFAOYSA-N 370.434 2.203 0 40 FEAB O=C(NC[C@H]1CCOC1)c1nn(-c2ccccc2C(F)(F)F)cc1O 84501821 XLPAVXGWDHLNEQ-SNVBAGLBSA-N 355.316 2.363 0 40 FEAB CN(C)C(=O)N1CCC(C(=O)NC[C@H](O)c2ccc3ccccc3c2)CC1 78593567 MRSQLISBCGCTFA-IBGZPJMESA-N 369.465 2.383 0 40 FEAB Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)sc2nc[nH]c(=O)c12 79191191 MTRQIYCIQFNYAL-QWHCGFSZSA-N 360.483 2.287 0 40 FEAB biogenic O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCOCC1 808274 AWOIIEMJHBYBPL-UHFFFAOYSA-N 358.369 2.458 0 40 FEAB Cc1ccccc1NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1N 4985050 SPUNALSPLHTZJQ-UHFFFAOYSA-N 351.366 2.181 0 40 FEAB C[C@H]1CCC[C@H](NC(=O)CSc2nnnn2-c2ccc(O)cc2)[C@@H]1C 7682442 WDANTCDLUUAIHW-ZOWXZIJZSA-N 361.471 2.401 0 40 FEAB NS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 24610166 GMDHMXZTJXDNIX-UHFFFAOYSA-N 372.490 2.213 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCOCC2)cc1 24649479 CLTCPCWXPHFGNG-CQSZACIVSA-N 368.499 2.321 0 40 FEAB CCN(CCNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(C)c1 12533651 ISEWPSJMXJELHT-UHFFFAOYSA-N 350.422 2.488 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2 55246176 CYRZHHOXTPNDHK-UHFFFAOYSA-N 372.462 2.334 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N3CCn4c3nc3ccccc34)cnc12 12538425 CPPZIIRAWLVKJI-UHFFFAOYSA-N 359.389 2.101 0 40 FEAB COc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 106582337 QOINUUCYWHBQCH-PKOBYXMFSA-N 374.529 2.048 0 40 FEAB Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2nnc(C)n12 1428232 XLIDSSUXWLNXDK-UHFFFAOYSA-N 365.315 2.165 0 40 FEAB C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)NC(N)=O 56187513 GYVOYWABGJZSNB-MRVPVSSYSA-N 351.300 2.099 0 40 FEAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(N2CCOCC2)nc1 48070453 OLXSMKBJONBIEI-INIZCTEOSA-N 354.410 2.043 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 44489035 KDNZTHVMLKAFJQ-UHFFFAOYSA-N 363.364 2.321 0 40 FEAB CC(C)NC(=O)C1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 58198221 WCCNNMQSAOTAPT-AWEZNQCLSA-N 363.527 2.258 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC(NC(=O)c3occc3C)CC2)c1 58193550 MIYDTKFLNUNVOH-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(CC(=O)N(C)c2ccccc2)CC1 58197342 VSRCJGWCNAWFAW-UHFFFAOYSA-N 355.438 2.445 0 40 FEAB Cc1nn(C)c2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12 28557291 IFLZIPSDALDPKB-UHFFFAOYSA-N 351.414 2.026 0 40 FEAB Cc1ccc(-n2c(SCCn3cccn3)nnc2N2CCOCC2)cc1 58266855 ZHXCOPLCEYCRIP-UHFFFAOYSA-N 370.482 2.401 0 40 FEAB CCOC(=O)C1=C(CSc2nncc3ccccc23)NC(=O)N[C@@H]1C 58344348 FWLJIDKSIJKAKP-SNVBAGLBSA-N 358.423 2.240 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccco1 2376930 KZBVGPDIQOUSGR-UHFFFAOYSA-N 351.338 2.261 0 40 FEAB COc1ccccc1CN(CN1C(=O)N[C@@]2(CCSC2)C1=O)C1CC1 48365742 BKQAYYCAKJKCDX-GOSISDBHSA-N 361.467 2.045 0 40 FEAB Cc1ccc2c(c1)S[C@@H](C(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 11405177 KTQIOJOLIBJRPT-CQSZACIVSA-N 359.451 2.298 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 3481710 GFFXPTVXEAWKPR-UHFFFAOYSA-N 363.443 2.082 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 3553681 RGKRXGLTKYZRBW-CYBMUJFWSA-N 373.430 2.225 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)cc12 12987285 WXWMCOHKJQXTQK-ZDUSSCGKSA-N 367.409 2.361 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)c1ccc2nnc(C(F)(F)F)n2n1 13104984 OXZCHULBEFIYNN-UHFFFAOYSA-N 368.294 2.357 0 40 FEAB CCN(C(=O)[C@H](C)Oc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 9112416 OUYCRLNZOXKNHO-QWHCGFSZSA-N 357.497 2.211 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1 9112814 RMIIZAGCWKVXPV-UHFFFAOYSA-N 358.463 2.450 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 4288882 AXPKQHVDUASZHA-FOIQADDNSA-N 357.454 2.188 0 40 FEAB COc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(OC)c1 5432848 LYKMEDIGKQYMNV-SFHVURJKSA-N 362.470 2.211 0 40 FEAB CCCCN(C(=O)c1ccc(C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 7062549 GGHGYDCBAOOXRC-UHFFFAOYSA-N 358.442 2.284 0 40 FEAB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1CCC(O)CC1 15616471 OUBAPSLLYGBHEN-UHFFFAOYSA-N 363.502 2.064 0 40 FEAB COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccccc2O1 7306426 SSPLYEBOXCAVCN-GOSISDBHSA-N 373.430 2.305 0 40 FEAB COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C 7727172 AFQPBQZZUBPXNA-UHFFFAOYSA-N 369.420 2.415 0 40 FEAB Clc1ccc(-c2nnn(CN3CCN(c4ccccn4)CC3)n2)cc1 7778186 PELSGJUBWRNZBQ-UHFFFAOYSA-N 355.833 2.168 0 40 FEAB O=C(NCc1noc(-c2ccccc2)n1)C1CCN(c2ncccn2)CC1 9532064 VEJZQZYOWZYXMQ-UHFFFAOYSA-N 364.409 2.059 0 40 FEAB CCN1CCc2c(cccc2-n2nnc(C(=O)NCC(F)(F)F)c2C)C1 69570378 ZKSVBXBHNLDKLN-UHFFFAOYSA-N 367.375 2.246 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC=CO1)c1ccco1 97103221 MGVWILSTXBOTJB-IAGOWNOFSA-N 354.406 2.430 0 40 FEAB O=C(NCc1ccncc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72405631 XGLXEHJYUNZJLX-UHFFFAOYSA-N 371.400 2.165 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cscn4)C3)nn2)cc1 95998035 QZONRWWZRWDJHW-UHFFFAOYSA-N 355.423 2.497 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 9919234 SBRSKIKVTRQQDB-ZDUSSCGKSA-N 370.405 2.340 0 40 FEAB O=c1oc2cccnc2n1CCN1CCCN(Cc2ccc(F)cc2)CC1 89424368 JRTAHAPHVYAVFT-UHFFFAOYSA-N 370.428 2.337 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 20962894 PLUSFJMDSFBZIR-MPGHIAIKSA-N 362.470 2.477 0 40 FEAB CC(=O)N1CCOC[C@@]2(CC[C@H](CNCc3ccc4ccccc4n3)O2)C1 306137866 RIODOFNKROMGRB-TZIWHRDSSA-N 369.465 2.121 0 40 FEAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccc(F)cc1 72324244 DFXBPQOJLVZVDL-HNNXBMFYSA-N 354.385 2.068 0 40 FEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NC2CC2)cc1 22230950 FGXHZGSVHWXWDP-UHFFFAOYSA-N 374.462 2.310 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccc(C)cc2)c1 67331832 NOEBFPNVABURRX-CQSZACIVSA-N 362.451 2.100 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 408621423 LHAJJUFKXMMWOZ-UHFFFAOYSA-N 368.499 2.354 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)O)cc1 218593761 KTHITLFOFMQOCQ-UXLLHSPISA-N 365.838 2.370 0 40 FEAB CCCCC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 35485384 GHSWGMQDPLXLKZ-RCVGXTDISA-N 373.453 2.354 0 40 FEAB O=c1c2cnc(N3CCc4ccccc4C3)nc2nc(O)n1-c1ccccc1 77100679 LZXUKHFPHPUPGP-UHFFFAOYSA-N 371.400 2.444 0 40 FEAB Cc1ccc(OC[C@H](C)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219018529 HXUAMGHXBNVXAB-RYQLBKOJSA-N 370.449 2.220 0 40 FEAB Cc1nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(N)=O 72345426 CQIVBTKIDSJZCQ-QGZVFWFLSA-N 363.421 2.271 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 44900884 CPROXGQRDWKGTM-UHFFFAOYSA-N 367.814 2.063 0 40 FEAB CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 44949487 VGBIXDOZROJYKO-OAHLLOKOSA-N 358.419 2.099 0 40 FEAB COCCn1cc(C(=O)NCCc2cccc3cccnc23)ccc1=O 47306717 BFNLAPNGXAGMHM-UHFFFAOYSA-N 351.406 2.015 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)c1 48231064 SDXRNKIGQAZBKV-UHFFFAOYSA-N 356.451 2.422 0 40 FEAB CN(C)CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn1 225924807 ZDVGMKWTOQWWJC-UHFFFAOYSA-N 366.462 2.264 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc(F)c(F)c1)CCC2 96259366 KCVDHCIGZSHADR-UHFFFAOYSA-N 374.391 2.330 0 40 FEAB Cc1cccc2c1ccn2CCNC(=O)[C@@H](c1ccccc1)n1cnnn1 95478756 RCCBRUORYHIVKA-LJQANCHMSA-N 360.421 2.342 0 40 FEAB CN(C)C(=O)CN[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96079065 DTLQXRVGRIUGAK-GOSISDBHSA-N 365.481 2.137 0 40 FEAB O=C1C[C@@H](C(=O)Nc2cccc3c2CCNC3=O)c2ccc(F)cc2N1 1597347895 NAJIQXKUTVCOJE-CQSZACIVSA-N 353.353 2.176 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257205896 BAZQRXAOCXVAIW-VQIMIIECSA-N 357.385 2.458 0 40 FEAB O=C(N1CC(O)C1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257308910 TYSCTJKQWVLDNC-UHFFFAOYSA-N 352.434 2.291 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1C 260805343 AYXXXLAJIDZWNM-AWEZNQCLSA-N 368.499 2.182 0 40 FEAB CN1C(=O)[C@H](NC(=O)c2cccc(OCC(F)F)n2)Cc2ccccc21 617497120 NFDOBTUZVZAXCJ-CYBMUJFWSA-N 361.348 2.043 0 40 FEAB CCCCOc1ccc(-c2nnc3n2CCS(=O)(=O)CC3)cc1OC 630950372 AZFLISZETZBMDI-UHFFFAOYSA-N 365.455 2.104 0 40 FEAB CS(=O)(=O)c1ccc2ncnc(N3CC4(CCOCC4)[C@@H]3C3CC3)c2c1 645058001 IELIDQJJYIHURR-KRWDZBQOSA-N 373.478 2.429 0 40 FEAB Cc1ccc(NC(=O)Cc2c(C)nc(O)nc2O)c(OC[C@H]2CCCO2)c1 1136393633 TUBBJTYWKYSVNH-CYBMUJFWSA-N 373.409 2.244 0 40 FEAB O=C(c1cc(Br)cs1)N1CCN(c2cccnc2)C(=O)C1 585150449 XFOHZMWXVBPEKW-UHFFFAOYSA-N 366.240 2.395 0 40 FEAB CN(C)C(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585099040 FJXXOZHRVPMGEY-MRXNPFEDSA-N 355.438 2.327 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(Cl)c1 28276553 SHRYTCVKHMQLAR-CYBMUJFWSA-N 360.863 2.491 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2ccc(F)cc2s1 102308445 RDHWXSROALGCRA-DMAMZFHHSA-N 371.393 2.181 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)c1 652384804 ODCAAKIRQZNYJS-BMFZPTHFSA-N 356.463 2.184 0 40 FEAB Cc1cn2nc(N[C@H]3CCN(C(=O)CCc4ccc(C)o4)C3)ccc2n1 578228034 FHXSDRFRPOCXKC-HNNXBMFYSA-N 353.426 2.585 0 40 FEAB O=C(COc1cccc(F)c1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 12365076 QYFVQDHMKLFZOO-LBPRGKRZSA-N 355.373 2.277 0 40 FEAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 12734154 OYZXOPXLGJDKOL-PXRHCINRSA-N 370.449 2.416 0 40 FEAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1F 13119496 QPIDHXUXYDMZMB-NOOOWODRSA-N 358.163 2.405 0 40 FEAB C=CCOc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1Cl 8091986 QLJCFYKWTGZFQW-WQLSENKSSA-N 366.826 2.135 0 40 FEAB CCc1ccc(NC(=O)Cn2nc(-c3ccncc3)n(N)c2=S)cc1 16778123 LSWAENOYYXTHEZ-UHFFFAOYSA-N 354.439 2.391 0 40 FEAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1 19589867 KWEZCKGXNDQWRB-KRWDZBQOSA-N 372.860 2.305 0 40 FEAB CC1CCN([C@H](CNC(=O)c2cccn3nnnc23)c2ccccc2)CC1 19654943 OUQCTZGZNZDLJL-GOSISDBHSA-N 364.453 2.327 0 40 FEAB COc1ccc(/C=C/c2ccc3c(c2)C(=O)N2CC[C@H](N)[C@H]2C(=O)N3)cc1 8296798 QDXPXKLBFDHUCR-GOCDNGJGSA-N 363.417 2.360 0 40 FEAB biogenic,in-vitro CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 5517327 YNAQCAFKUOSMKM-AWEZNQCLSA-N 370.236 2.480 0 40 FEAB CSc1ncccc1C(=O)NCC1CCN(c2ncc(F)cn2)CC1 1888844671 XDRSDHQLYQKNDS-UHFFFAOYSA-N 361.446 2.379 0 40 FEAB CCc1nc(N2C[C@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2)nc(O)c1F 1888859284 ILKDWMUAFBAWKW-CHWSQXEVSA-N 361.421 2.057 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)C1CC1 1889139815 ADWTVWIMEUWUPU-GFCCVEGCSA-N 366.874 2.334 0 40 FEAB Cn1c(N)nnc1SCC(=O)Nc1ccc(Br)cc1F 32810060 LVILSRNAULRWKV-UHFFFAOYSA-N 360.212 2.030 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)c3ccns3)C2)C1 2056224027 ARSXURJMJFIBHF-SFHVURJKSA-N 359.499 2.395 0 40 FEAB O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565544449 HDXRPDRVLGDDIE-AWEZNQCLSA-N 355.442 2.117 0 40 FEAB COc1cccc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1 1565520688 GEMNQTZPOACZSR-UHFFFAOYSA-N 364.453 2.331 0 40 FEAB COc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 4270348 SQSIOPRIGNLRRC-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB COc1cccc(OCC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1 5220621 SXAXMIGXFRLHQP-AWEZNQCLSA-N 358.369 2.135 0 40 FEAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(C(C)C)C(C)=C1C(=O)OC 12419557 DCUJSLBVHCUWNL-HNNXBMFYSA-N 364.364 2.292 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)c1 23107833 QEJRZAFMEJBHBC-ZDUSSCGKSA-N 370.496 2.347 0 40 FEAB O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 40098189 BATGWEUGOFBJHG-GOSISDBHSA-N 357.454 2.421 0 40 FEAB O=C(NC[C@H](O)c1ccccc1)c1c(-n2cnnn2)sc2c1CCCC2 32073723 ZVQJSTVGVIPZBC-AWEZNQCLSA-N 369.450 2.066 0 40 FEAB COc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 32101934 OSAOKDYPQSPKRH-UHFFFAOYSA-N 359.403 2.448 0 40 FEAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)c3ccco3)CC2)c1 32499247 QNIGLVHVZMIQKU-UHFFFAOYSA-N 355.438 2.052 0 40 FEAB CNC(=O)c1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 32745301 UJNNHHANHVAZRY-KRWDZBQOSA-N 354.406 2.433 0 40 FEAB COC(=O)c1cnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 32843457 NYPOUKJXBHGIAB-UHFFFAOYSA-N 361.423 2.014 0 40 FEAB CCOC(=O)c1sc2ncnc(N3CCC(C(=O)NC)CC3)c2c1C 22062531 PCQHFSRIQWZOKN-UHFFFAOYSA-N 362.455 2.139 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1C 23683854 VRRRKDPDLWNTEH-VFZGTOFNSA-N 369.468 2.021 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NC1CCCCC1 4984930 PQPSPKZEQIAMLM-QGZVFWFLSA-N 355.438 2.087 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)NCc3nnc4ccccn34)c2O1 7718786 QBBPBNLIHUXTMA-UHFFFAOYSA-N 352.394 2.138 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCc2ccccc21 7990039 XPFFRAVIFRIMPI-MRXNPFEDSA-N 360.435 2.150 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCN(c2ccccc2Cl)CC1 12515555 VTEIXLCRNPUQBL-UHFFFAOYSA-N 355.829 2.434 0 40 FEAB CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252481 SOPAEKYGRBGCGU-LLVKDONJSA-N 358.460 2.018 0 40 FEAB O=C(NCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccco1 24442940 ZBNNZTHEASUYGF-UHFFFAOYSA-N 363.222 2.295 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(C)o2)c(=O)[nH]c1=O 8751624 QSOZUKMXFOUMOO-UHFFFAOYSA-N 362.430 2.123 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 25134319 SGMKHPSGMVPLIO-UHFFFAOYSA-N 362.437 2.057 0 40 FEAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1 12599269 TVZGHEOVRZBROU-UHFFFAOYSA-N 371.393 2.049 0 40 FEAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CCC(C)(C)C)CC1 55934532 NTYZEWLYTKXBFA-INIZCTEOSA-N 372.513 2.414 0 40 FEAB COC(=O)C1(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CCCCC1 56114990 FDUJFVSCLPRCKD-HNNXBMFYSA-N 362.401 2.171 0 40 FEAB CC(C)S(=O)(=O)CCCN1CCCN(C(=O)c2ccsc2)CC1 84622125 LBHZOKSPHLEKOQ-UHFFFAOYSA-N 358.529 2.109 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccccc1Cl 27373795 MLHIDGGRMORZPB-NSHDSACASA-N 350.854 2.245 0 40 FEAB COc1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C(N)=O)cc1OC 58190724 GFUFQWTVIGTOBW-UHFFFAOYSA-N 359.382 2.203 0 40 FEAB CCC(C)(C)NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2 27721483 TWNCBVSTZJYKIR-GOSISDBHSA-N 362.451 2.463 0 40 FEAB c1ccc(CN2CCOCC2)c(CNc2cncc(-n3cccn3)n2)c1 48274726 BQTTXHNRYMSQLP-UHFFFAOYSA-N 350.426 2.107 0 40 FEAB CNC(=O)COc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1 58356772 LYIOMFOXJDQXJU-UHFFFAOYSA-N 351.406 2.233 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C)C1=O 12775634 CLBHORFECBZHGW-NRFANRHFSA-N 365.433 2.469 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCNC(=O)c2cccs2)C1 36395832 PJXBWUPEISBVHT-GASCZTMLSA-N 351.516 2.352 0 40 FEAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 55731030 YSKAGPJZSFTEIE-AWEZNQCLSA-N 362.451 2.134 0 40 FEAB Cc1cc(CN2CCN(S(=O)(=O)c3cccc4cnccc34)CC2)no1 55214237 IYWBMMUJHJCUPK-UHFFFAOYSA-N 372.450 2.038 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c1 3367906 FRMUJHPKMDNESV-HZPDHXFCSA-N 360.454 2.366 0 40 FEAB O=C(Nc1c(F)cc(F)cc1Br)c1nc2ncccn2n1 36618738 ZPYANOQSLVMHRX-UHFFFAOYSA-N 354.114 2.417 0 40 FEAB Cc1sc(CC(=O)N(C)C)nc1-c1ccc(NS(C)(=O)=O)cc1 55049296 JJMSBMBFLQIFBO-UHFFFAOYSA-N 353.469 2.121 0 40 FEAB CS(=O)(=O)N1CCC(NCc2ccc(F)cc2Br)CC1 36828571 LFOHYGPMJDWILH-UHFFFAOYSA-N 365.268 2.102 0 40 FEAB CCC[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 37198771 UFPDAHCJDYDEDF-GOSISDBHSA-N 353.470 2.256 0 40 FEAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 9048863 ZKRJUZWFGNFAHE-UHFFFAOYSA-N 360.357 2.166 0 40 FEAB O=C(N[C@@H]1CCOC[C@]12CCN(C(=O)c1ccccc1)C2)N1CCCC1 306131774 KPJBINPSWBYEOD-YLJYHZDGSA-N 357.454 2.113 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCCCCC3=O)CC2)cc1 49759409 HQMBNFCZWOHUGD-UHFFFAOYSA-N 371.481 2.072 0 40 FEAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 13749611 VBLJMVKNGYQEMP-UHFFFAOYSA-N 373.432 2.223 0 40 FEAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CCCC1 6112256 GHDWHCRCIKGALO-UHFFFAOYSA-N 350.216 2.218 0 40 FEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCCCn1ccnc1 5207355 CRXKONNFPRITSH-UHFFFAOYSA-N 367.405 2.064 0 40 FEAB O=C(COC(=O)c1cc(Br)c[nH]1)NCc1ccccc1F 14185274 QVOUJLNHDUJAAQ-UHFFFAOYSA-N 355.163 2.390 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)NCCc1nc2ccccc2[nH]1 9337987 CKNZPVNDVOHLQD-UHFFFAOYSA-N 366.421 2.050 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2ccncc2)C1 306131423 KDXMYERBIVJOIR-OAQYLSRUSA-N 359.433 2.248 0 40 FEAB CCCn1nc(C)c(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1C 96232531 ABRLXAAYNSAVDH-INIZCTEOSA-N 353.430 2.319 0 40 FEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3cccnc3)cc2O1 6624182 UXLWFIZFCYNTBL-UHFFFAOYSA-N 356.378 2.226 0 40 FEAB biogenic O=c1/c(=C/C=C/c2ccco2)sc2n1CN(c1ccc(F)c(F)c1)CN=2 6672527 HPFYRDRIJDULJE-QOSQHLEFSA-N 373.384 2.330 0 40 FEAB COc1ccc(NS(=O)(=O)NC(=O)c2cn(C)c3ccccc23)cc1 6662678 KVIPTTSNPPTZRL-UHFFFAOYSA-N 359.407 2.274 0 40 FEAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1 6800740 VXZGVEYDPDZDKX-UHFFFAOYSA-N 359.407 2.331 0 40 FEAB CN1N=C(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)CCC1=O 68296571 XXXMTFOELSXASP-UHFFFAOYSA-N 369.469 2.434 0 40 FEAB Cc1cccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)c1 17135439 AIIJQVDLZGVUOR-UHFFFAOYSA-N 367.457 2.159 0 40 FEAB CCNC(=O)CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 69648494 WLRRKOWMKKACMD-UHFFFAOYSA-N 374.441 2.460 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccnn1C)C(=O)N[C@@H]1CCOc2ccccc21 95385641 YGGRYGJOXJHZRV-RHSMWYFYSA-N 357.410 2.242 0 40 FEAB O=C1CC[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]2N1C1CC1 95449621 DHCVOWUBYPGASX-BDJLRTHQSA-N 370.421 2.129 0 40 FEAB Cc1ccc(F)c(NC(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)c1 95461257 GUQSUVMJZNDFLN-UHFFFAOYSA-N 373.432 2.394 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N(CC1(CO)COC1)c1ccccc1 95966466 DWIBEZVOYORNKE-UHFFFAOYSA-N 351.399 2.030 0 40 FEAB CCN(CC)CCOCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1C 95939497 KDIIXLUIACNAHC-UHFFFAOYSA-N 364.490 2.177 0 40 FEAB CCOc1cc(CN2CCOCC[C@H]2C)nc2nc(C(F)(F)F)nn12 95986135 MQUKHSHZVCVLLV-SNVBAGLBSA-N 359.352 2.153 0 40 FEAB CN(C)c1ncnc2c1cc(C(=O)N1CC[C@H](Oc3ccccc3)C1)n2C 516068220 WNPIZZRXCHHIQD-HNNXBMFYSA-N 365.437 2.328 0 40 FEAB COc1ccccc1C(=O)NCCN1CCN(c2ccccc2OC)CC1 53106866 LELUFGKRDMZHEF-UHFFFAOYSA-N 369.465 2.256 0 40 FEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC3CC3)CC1)O2 72394418 DOHRBRARFIWIQZ-UHFFFAOYSA-N 364.511 2.394 0 40 FEAB CCN(Cc1ccccc1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 30996751 VKGXOVKPQFSVRV-UHFFFAOYSA-N 371.462 2.116 0 40 FEAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(-n2ccnc2)nc1 40043298 PENBTSZGKMFNPZ-UHFFFAOYSA-N 358.405 2.426 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222869654 ZVRHLVICXDKXAI-CQSZACIVSA-N 374.412 2.376 0 40 FEAB Nc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 222645720 NFQNQZYGKVCCLS-VIFPVBQESA-N 358.876 2.342 0 40 FEAB CCOCc1nn2c(=O)cc(COC(=O)c3cccc(C)c3)nc2s1 41077278 XXVAVTBQHRDJDK-UHFFFAOYSA-N 359.407 2.353 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc([C@H](C)O)s1 225688736 VCNDNCHZSNSKII-JTQLQIEISA-N 359.444 2.470 0 40 FEAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 96056955 ANLKBCPSDAQKCA-WMZOPIPTSA-N 352.500 2.224 0 40 FEAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 96056668 UNEDVUCKKOMRSS-SUMDDJOVSA-N 357.429 2.184 0 40 FEAB Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1cnc3ccccc3c1)C2 96084492 PEMOTJPKEJENOS-UHFFFAOYSA-N 358.405 2.369 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@H](N(C)Cc2cccnc2)C[C@@H]1C(=O)O 96198757 BYPZVGBUHBPZEP-JKSUJKDBSA-N 357.410 2.173 0 40 FEAB CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)N[C@H]2C=CCCC2)CC1 583615015 MOMIXDJNINSIIS-OALUTQOASA-N 371.485 2.498 0 40 FEAB COc1cccc(C(=O)N2CCC[C@H](c3cc4ccnn4c(N)n3)C2)c1 257201141 AGMBDYHFHIIHLI-AWEZNQCLSA-N 351.410 2.340 0 40 FEAB CCCS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O 85467604 BUWAMWKZGCMNAZ-INIZCTEOSA-N 356.463 2.079 0 40 FEAB CS[C@@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@H]1N(C)C 543903113 NIUSDGOVJAIGIT-ZIAGYGMSSA-N 360.512 2.335 0 40 FEAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)NC[C@H]1CCCO1 298124730 VZIGBNNQHCILAP-GOSISDBHSA-N 352.434 2.230 0 40 FEAB CCCC[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](OCC)C(C)C)CC1 1775992957 VTUQLFXVWIZUDB-IRXDYDNUSA-N 370.534 2.344 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H]1CO)C2 585104892 VYWDQLDEUASYMJ-RBUKOAKNSA-N 358.482 2.155 0 40 FEAB CC(C)CN1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104982 XBFBYRSIBFFJGP-MRXNPFEDSA-N 372.391 2.207 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 585139997 CGJMRDZAJMSKLG-KZNAEPCWSA-N 363.502 2.215 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)COc2cccnc2)C1 585276568 NCUMCXOKUFRCGU-FQEVSTJZSA-N 356.422 2.201 0 40 FEAB CC(C)CN1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104981 XBFBYRSIBFFJGP-INIZCTEOSA-N 372.391 2.207 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)COc4ccccc4Cl)C[C@H]3C2)ncn1 1776009322 DEMDZPMZTLYHKQ-GASCZTMLSA-N 372.856 2.412 0 40 FEAB CCn1cnnc1CNC(=O)NCc1cc(F)cc(Br)c1 57249192 QIAZSSZAMJUBGV-UHFFFAOYSA-N 356.199 2.199 0 40 FEAB O=C(c1ccco1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615152646 BOWAKCHMMRPWGI-UHFFFAOYSA-N 358.369 2.457 0 40 FEAB O=C1Cc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc2N1 12147739 HJYSUTXNKGDJFC-UHFFFAOYSA-N 371.418 2.109 0 40 FEAB COc1ccc(OC)c(CN(Cc2cnc(N)nc2)C[C@@H]2CCCO2)c1 12187511 FHOPSJWIJWXNHE-KRWDZBQOSA-N 358.442 2.257 0 40 FEAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(CC)CC1 19501928 CBJAININGSFITQ-GOSISDBHSA-N 358.490 2.209 0 40 FEAB Cc1sc2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)[nH]c(=O)c2c1C 19561629 SDKCOGMZOLPBGM-GFCCVEGCSA-N 369.450 2.411 0 40 FEAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)[C@@H]1CCCO1 19583430 UIXOYDCTHMEINU-SFHVURJKSA-N 360.433 2.046 0 40 FEAB Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccnc1 1291490 QJOHPYPEDSSPKE-UHFFFAOYSA-N 366.450 2.125 0 40 FEAB Cc1nnc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)o1 1888879393 KTFCVIXJKABTFZ-UHFFFAOYSA-N 371.416 2.448 0 40 FEAB COc1cccc2sc(N3CCN(c4ccc5nncn5n4)CC3)nc12 1888926070 BPGNUYFMBVIWQX-UHFFFAOYSA-N 367.438 2.069 0 40 FEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)c(F)c1F 18115764 HGBJUGOGMXEWLO-UHFFFAOYSA-N 363.295 2.136 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccccc1C 4911379 GFIQJMFJKAOZSS-OAHLLOKOSA-N 372.450 2.302 0 40 FEAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(Cc2nccs2)CC1 2055771744 UCBJKHQWSMHLEP-UHFFFAOYSA-N 373.404 2.009 0 40 FEAB COc1cccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccco3)C2)c1 2055772836 LKPWXWSWCLGOJK-XUVXKRRUSA-N 370.449 2.442 0 40 FEAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22458787 IXCNBQPSPJNLEH-OAHLLOKOSA-N 357.483 2.450 0 40 FEAB COc1ccccc1N1CCN(CCNC(=O)NCc2cccs2)CC1 38598702 BGPCCTGRQNMFKT-UHFFFAOYSA-N 374.510 2.378 0 40 FEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)CCCOc2ccc(F)cc2)C1 12440750 RGJGLNWLYVXCCG-CQSZACIVSA-N 373.446 2.200 0 40 FEAB Cc1cc(=O)c(C(=O)NCCCN2CCC[C@@H](C)C2)nn1-c1ccccc1 40108092 MMIIHTKIRWXAOI-MRXNPFEDSA-N 368.481 2.393 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@H]1CS[C@@]2(C)CSCC(=O)N12 40146498 GWXIDWHMQNNDTB-PBHICJAKSA-N 350.509 2.442 0 40 FEAB CC(=O)NCc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)cc1 32860053 BECZTNQWTHCLFP-UHFFFAOYSA-N 362.433 2.498 0 40 FEAB CN(CC(=O)NCCOc1cccc2c1OC(C)(C)C2)C(=O)c1ccco1 32817686 LARGMYYEHOEBOI-UHFFFAOYSA-N 372.421 2.260 0 40 FEAB C[C@@H](NC(=O)c1cccs1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 32869347 JTGLTXRETXYCRY-WBMJQRKESA-N 372.446 2.430 0 40 FEAB CN(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1 32970906 WCIGDGOEHIJSLX-AWEZNQCLSA-N 356.451 2.028 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1N1CCCC1 102709069 CSEARLFKFCODBJ-GASCZTMLSA-N 353.422 2.177 0 40 FEAB COc1cc(CO)cc(Br)c1OCC(=O)N1CCCCC1 678631 SXJHZVFYXMYTLF-UHFFFAOYSA-N 358.232 2.341 0 40 FEAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccccc1 795865 BEQGRGAMSKBAEB-UHFFFAOYSA-N 369.450 2.470 0 40 FEAB O=C(CSc1nnnn1-c1cccc(Cl)c1)NCC(F)(F)F 23266960 CUTMYBTWSDPHGT-UHFFFAOYSA-N 351.741 2.086 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 6596317 ZUDUUUFCSLSZBL-CQSZACIVSA-N 356.488 2.223 0 40 FEAB N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)NC(N)=O 6969930 PPHFOXNLRJVNNE-YFHOEESVSA-N 359.183 2.342 0 40 FEAB CCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 7753106 MJTRMNIOQVNSNF-UHFFFAOYSA-N 364.423 2.131 0 40 FEAB NC(=O)CN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 42752324 VATCWRQQEQGMCI-UHFFFAOYSA-N 363.889 2.218 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 10327633 WSAKCIQQBRIFFP-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB CCOc1ccccc1NC(=O)Cc1csc(NS(C)(=O)=O)n1 12521380 GMUFCTBFNMQHCD-UHFFFAOYSA-N 355.441 2.095 0 40 FEAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 55097384 FGPUSAFGOGJSNL-GOSISDBHSA-N 371.481 2.199 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 8243324 OXISNGPCIGWYLG-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB O[C@@H](COc1ccc(Cl)cc1)CSc1nnnn1C[C@H]1CCCO1 24832102 CUWMYSNNGMCSIX-GXTWGEPZSA-N 370.862 2.038 0 40 FEAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102084340 XHMFZMDICPCWCM-CLJXZBEYSA-N 350.418 2.377 0 40 FEAB O=C(NCc1cccc(OCCN2CCOCC2)c1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 107362446 WEYYNVVNEUZQPF-ZULIPRJHSA-N 370.493 2.306 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(Cl)cc1)CS2 26052803 OLEATLWYXJQJAU-CZUORRHYSA-N 354.859 2.289 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)cc1 12600687 WXKBZZYSCKFWJN-IBGZPJMESA-N 356.353 2.484 0 40 FEAB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 58162396 VYWYDQAHTSWRJA-LLVKDONJSA-N 367.858 2.104 0 40 FEAB CCn1c(CNC(=O)c2cccnc2N2CCOCC2)nc2ccccc21 58324689 FIFJRCSPFSFFLZ-UHFFFAOYSA-N 365.437 2.218 0 40 FEAB COc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1-n1cnnn1 36358980 WZAKSKTWCLGVAC-UHFFFAOYSA-N 367.365 2.085 0 40 FEAB Cc1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c2ccccc2n1 3366725 WFXVOLSSCFRBEF-UHFFFAOYSA-N 367.361 2.319 0 40 FEAB CN1N=C(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CCC1=O 48340040 ZQIZYASQEIKERO-LBPRGKRZSA-N 372.450 2.417 0 40 FEAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)/C=C/c3ccccc3)C2=O)c1 12804045 ARVRFRXKNUZHAN-SGWGQVFISA-N 365.389 2.207 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)CC(C)C)s1 3458376 OXFHFTCRRUIPSZ-UHFFFAOYSA-N 368.499 2.470 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12998856 ZBNYXIRMTDQDAD-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1cnccn1 49951248 VDAWHLAVFDPJKX-XYOKQWHBSA-N 360.420 2.004 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2F)s1 14110222 MTDXKXNKQPNFKV-UHFFFAOYSA-N 357.432 2.459 0 40 FEAB CCOC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 6612667 OAHYSGSBENNVPB-UHFFFAOYSA-N 370.352 2.222 0 40 FEAB CSCC[C@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O 6788090 JQMKKJWPIVWBFT-OAHLLOKOSA-N 355.419 2.438 0 40 FEAB CCCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)O 6938447 NVMVNTMZFDPPKY-AWEZNQCLSA-N 371.455 2.208 0 40 FEAB COc1ccc(-c2cc(C(=O)N(CCO)CCO)c3ccccc3n2)cc1 9420783 GOZFVUBHSNFHBY-UHFFFAOYSA-N 366.417 2.337 0 40 FEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1ccc2c(c1)OCO2 15572485 YMJRKJBLTBMHBP-UHFFFAOYSA-N 371.780 2.095 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)o1 7277045 XEWHYVCIOKMDQE-GOSISDBHSA-N 358.350 2.042 0 40 FEAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 8073528 JWIHOFLWGDHQHH-MQDFFIGUSA-N 366.820 2.342 0 40 FEAB COc1cccc(NC(=O)Cn2c(NC[C@H](C)O)nc3ccccc32)c1 8388940 ITCGKRJQWXTLQS-ZDUSSCGKSA-N 354.410 2.476 0 40 FEAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 69921663 OTLMUOBHCXDBFQ-KRWDZBQOSA-N 365.389 2.300 0 40 FEAB CCOc1ccccc1OCC(=O)N(CCC(N)=O)c1ccc(OC)cc1 8751202 QANNZDCIGFOVRP-UHFFFAOYSA-N 372.421 2.381 0 40 FEAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)nc1 84069751 YYHKOWYXCNIMTF-VIFPVBQESA-N 364.199 2.349 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc21 9883318 GPLIZLHDVBSCQB-UHFFFAOYSA-N 364.361 2.412 0 40 FEAB CCN(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)C1CCCCC1 38139410 RHSSBBHYLPSFLT-UHFFFAOYSA-N 359.430 2.079 0 40 FEAB c1cn(-c2ccc(-c3noc([C@@H]4CCCN4Cc4ncc[nH]4)n3)cn2)cn1 35425797 PCVCGIXRCVRGOI-AWEZNQCLSA-N 362.397 2.378 0 40 FEAB biogenic,in-vitro Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cnn(C(F)F)c2C)n1 36614480 FALYIKMQXNSDFL-SECBINFHSA-N 361.418 2.015 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(CO)C(=O)O)cc1 218506416 LLKLXAPTIPKSQG-LZLYRXPVSA-N 364.394 2.137 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(c2cnccn2)CC1 70930497 FJBCFIQPOBADJP-DUXPYHPUSA-N 366.421 2.251 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl 38771127 LSOHWCALFDHFMV-GFCCVEGCSA-N 359.879 2.105 0 40 FEAB COc1ccc(C(=O)O)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224754267 SHKLALVBNIUYCG-UHFFFAOYSA-N 353.371 2.499 0 40 FEAB Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)nn1[C@H](C)C1CC1 529057180 PZVVOXBABMCGDO-YUELXQCFSA-N 366.487 2.346 0 40 FEAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1Cl 224169968 VVSDGISPNSJYPC-UHFFFAOYSA-N 350.781 2.036 0 40 FEAB COc1ccccc1C(=O)Nc1c(F)c(C(=O)NC2CCCC2)nn1C 41070602 LJYQDMMXRIRFPH-UHFFFAOYSA-N 360.389 2.493 0 40 FEAB Cc1occc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044403 WXWSBEJXVMTGMY-KRWDZBQOSA-N 359.426 2.255 0 40 FEAB O=C(NCC(F)(F)c1ccccc1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 333043436 AUVSZZNOGNNGJQ-INIZCTEOSA-N 372.437 2.389 0 40 FEAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 514288518 BVQZNRDKSDQTCP-FGZHOGPDSA-N 363.505 2.192 0 40 FEAB biogenic,in-vitro O=C(c1ccc2c(c1)OCO2)N1CCc2ncnc(NC3CC3)c2CC1 96255504 HGUGYMBSKCFHSG-UHFFFAOYSA-N 352.394 2.021 0 40 FEAB Cc1cccc(C(=O)N2C[C@@H]3OC[C@H](CCOc4nccc(C)n4)[C@@H]3C2)n1 248052817 BINFANDKOHCVMB-BQFCYCMXSA-N 368.437 2.045 0 40 FEAB O=C(c1cccnn1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257237060 HEYUWVVPUUALRZ-APWZRJJASA-N 357.385 2.458 0 40 FEAB COCCN1CCC[C@H](c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)C1 257260006 LAYXJHYOEAQALZ-AWEZNQCLSA-N 356.426 2.371 0 40 FEAB Cn1cnnc1[C@@H]1CCCN1Cc1cnn(-c2ccccc2C(=O)O)c1 257283029 OWLMTYJESAGQKQ-INIZCTEOSA-N 352.398 2.036 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)NCCN(C)C 556904292 JADYRUNUCKCDDF-OAHLLOKOSA-N 354.454 2.226 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)NC1=O 630271076 DRBUDVKAKBYNFX-ASHKBJFXSA-N 358.394 2.121 0 40 FEAB O=C(C[C@@H]1OCCc2ccccc21)N1CCN(CCc2ccncc2)CC1 636296698 IYTYSTNJOKCQNG-NRFANRHFSA-N 365.477 2.472 0 40 FEAB CCOC1CC(CNc2nc3cccc(F)c3n2C)(N2CCOCC2)C1 669658114 SMRUWTFDCWAZON-UHFFFAOYSA-N 362.449 2.394 0 40 FEAB O=C1NCCN(C(=O)c2cnc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 97655317 RLRNDQNVDXYARE-GOSISDBHSA-N 353.397 2.413 0 40 FEAB CC(C)C[C@H](O)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111414 SUMHRPVOOVDJFM-ROUUACIJSA-N 357.454 2.068 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(Cc3scnc3C)CC2)C1 585102723 BXKQAQQBXFYYJV-MRXNPFEDSA-N 353.532 2.258 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1 585099236 XUROFEVOARCVKG-ZDUSSCGKSA-N 361.392 2.483 0 40 FEAB O=C(CC(F)(F)F)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 585469727 AXXFRVLCKBITIU-UHFFFAOYSA-N 371.407 2.458 0 40 FEAB ONc1nc2nonc2nc1Nc1ccc(I)cc1 5394862 NZCKDTXECIPZIB-UHFFFAOYSA-N 370.110 2.162 0 40 FEAB O=C(N1CCOCC1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088528 BUNQTTDDUXGJOU-MRXNPFEDSA-N 353.426 2.170 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 12868261 XPZXEDBPASIOFP-HXUWFJFHSA-N 350.374 2.271 0 40 FEAB O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)C1CC1)Nc1ccc(F)cc1 13856444 VTGFUTRTGVMPLO-ULQDDVLXSA-N 373.428 2.203 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 19341429 XYXIZKRVZQKZJB-CYBMUJFWSA-N 374.397 2.449 0 40 FEAB O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccccc2F)CCCC1 19347931 BXBIYDCDCRIBIP-UHFFFAOYSA-N 361.417 2.086 0 40 FEAB Cc1nnsc1C(=O)NCc1ccc(-c2cc(CN(C)C)n(C)n2)cc1 19563662 MEADHKQCMFOKBA-UHFFFAOYSA-N 370.482 2.239 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)c3scnc3C)CC2)o1 19749106 YMJQYMFEMXJDPJ-CYBMUJFWSA-N 362.455 2.481 0 40 FEAB CCn1c(SCC(=O)N2CCCCCC2)nc2c(c1=O)SCC2 5056177 FATMLDWYDYOTJT-UHFFFAOYSA-N 353.513 2.406 0 40 FEAB COc1nc(C)cc(C)c1CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O 660548783 FYTUJNQORYLJBV-INIZCTEOSA-N 368.437 2.094 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 22385057 QUJKDWGJHXHCSE-VIFPVBQESA-N 353.835 2.165 0 40 FEAB Cn1ncc2c(NC3CCN(c4ncnc5c4CCCC5)CC3)ncnc21 585149354 KSTOSQLJIFFCBH-UHFFFAOYSA-N 364.457 2.113 0 40 FEAB COCc1nsc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n1 1888865636 GZZCZUWIEBEHGA-UHFFFAOYSA-N 366.466 2.275 0 40 FEAB Cc1ncnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1C 1888883441 VTSQDDPJLXERMB-AWEZNQCLSA-N 365.441 2.314 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4nncs4)CC3)cnc2c1 1889149525 ZANJUBYLYSKXQJ-UHFFFAOYSA-N 357.439 2.173 0 40 FEAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 5733031 OPIFEPSSCWNBEK-INIZCTEOSA-N 364.442 2.395 0 40 FEAB O=C(CN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2)N1CCCC1 1614947308 VOVZRIBEDFRMFF-NRFANRHFSA-N 370.497 2.051 0 40 FEAB CC(C)NC(=O)[C@@H]1OC2(CCN(C(=O)[C@@H]3CCOC3)CC2)c2ccccc21 1565553904 GVQDKEIVIJPHQL-CRAIPNDOSA-N 372.465 2.137 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(OC)c(OC)c1 10255884 GVGSMVITPKFYJT-FPISAVPCSA-N 366.417 2.421 0 40 FEAB Cc1c(C(=O)NC2CCN(c3cnsn3)CC2)cnn1-c1ccccc1 585148844 KODJAEONDSGAAF-UHFFFAOYSA-N 368.466 2.431 0 40 FEAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2ccccn2)cnn1-c1ccccc1 19374439 QJUFOPKZMBKUCZ-QGZVFWFLSA-N 361.405 2.337 0 40 FEAB CCc1cccc(CC)c1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 101514128 ZFRPNMOGYAQVLK-UHFFFAOYSA-N 353.426 2.422 0 40 FEAB COc1ccc(OCCN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 30514540 KREYPVPDPFSXEU-UHFFFAOYSA-N 370.453 2.133 0 40 FEAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(C)cc3)[C@H]2C1=O 101500187 YIDOIDLIGUYRFT-WBVHZDCISA-N 364.357 2.074 0 40 FEAB C[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCCO2 32718843 KKHDTZFRYPAPSJ-XIKOKIGWSA-N 368.389 2.425 0 40 FEAB C[C@@H]1CN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C[C@@H](C)O1 32777953 NNBHNFSDWMEONA-VXGBXAGGSA-N 364.446 2.216 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102427147 OFERVDLTJXCGOU-KBPBESRZSA-N 372.421 2.285 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccc(CN2CCOCC2)cc1 32845447 ZBBOVJUNYRAJMB-UHFFFAOYSA-N 370.478 2.087 0 40 FEAB Cc1nnc(COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)o1 32910416 OSZPGPVHQLWRJA-UHFFFAOYSA-N 362.345 2.434 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2c(c1)OCO2 22465589 VRLVGRXTYKEPGT-CQSZACIVSA-N 360.435 2.280 0 40 FEAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)NCCc1ccc(F)cc1 22543878 LVEQGSMJRRPTCL-ZDUSSCGKSA-N 350.419 2.246 0 40 FEAB CCSc1cc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)ccn1 53808497 ZBSZLIUEKBWHQF-QGZVFWFLSA-N 367.540 2.131 0 40 FEAB COCCn1c(SCC(=O)NC(=O)NCC(C)C)nc2ccccc21 3532268 UJSYSBHJTJBMJF-UHFFFAOYSA-N 364.471 2.257 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105770231 VNVIKPMFEVIGDB-XWSJACJDSA-N 361.530 2.358 0 40 FEAB Cc1ccc(C)c(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)c1 8476741 MEGIBHMZVNAWOO-UHFFFAOYSA-N 354.385 2.412 0 40 FEAB C[C@H](Nc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12542808 HPFIXZRMVOUBQW-INIZCTEOSA-N 373.478 2.020 0 40 FEAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)Cc1ccccc1 25057685 JCNFZRYVFMIVRV-KBXCAEBGSA-N 367.401 2.358 0 40 FEAB O=C(CN1CCc2ccccc2C1)N1CCN(C(=O)c2cccs2)CC1 35306220 MJEUMBRTVGYXGH-UHFFFAOYSA-N 369.490 2.091 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccc(Cn2cccn2)cc1 9647464 PWGBWLOLPMGIRS-UHFFFAOYSA-N 351.435 2.500 0 40 FEAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)CC1 57406182 FYGCZGVJWSVMBS-JTQLQIEISA-N 359.348 2.205 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 58190706 YQAKDPZSGRHPLG-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 58224750 UVVYKXBQXHUSOY-SFHVURJKSA-N 369.808 2.096 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nccc(C(F)(F)F)n1 45026464 VKLLUZYLEXPRMB-VIFPVBQESA-N 360.361 2.340 0 40 FEAB Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2Cl)cc1 3304792 HXKZBDPHCSPWAW-UHFFFAOYSA-N 352.843 2.325 0 40 FEAB O=c1oc2cc(Br)ccc2n1CN1CCC2(CC1)OCCO2 36390930 LNAQFGNPJUSWLG-UHFFFAOYSA-N 369.215 2.153 0 40 FEAB Cc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1C 10910202 FFLYLIWYQPSYTA-UHFFFAOYSA-N 367.327 2.222 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 11024096 CJWNRZVRQCFWAU-DRXUAVOGSA-N 363.410 2.330 0 40 FEAB CCOC(=O)N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 12857871 QLVUSSQHCJZRIW-SFHVURJKSA-N 371.437 2.251 0 40 FEAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20483647 XTMHWECKHXLJQA-MRXNPFEDSA-N 367.515 2.268 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCCNc1ccc(C(F)(F)F)cn1 46362336 ONCLEOPJZKDAAQ-UHFFFAOYSA-N 355.364 2.222 0 40 FEAB COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C 29880459 NWCPKLWLZSOHKO-XHDPSFHLSA-N 352.818 2.007 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408590368 GJWDUOUJYNUQAF-CRAIPNDOSA-N 360.479 2.491 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(Cl)c2C)C1=O 9154797 BGJCOTUIPZOZRD-GFCCVEGCSA-N 355.847 2.260 0 40 FEAB O=C(NC(=O)c1ccc(Cl)c(Cl)c1)O[C@@H]1CCS(=O)(=O)C1 4101268 MUYYVRWGNFUEBX-MRVPVSSYSA-N 352.195 2.047 0 40 FEAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 4121364 XEWMKLNNDUIEKH-UHFFFAOYSA-N 362.499 2.358 0 40 FEAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 13722775 ZFQYDPRUWMXZMJ-CHWSQXEVSA-N 358.872 2.004 0 40 FEAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1OC 65474297 RGIAJCRUQMZITN-CQSZACIVSA-N 356.426 2.373 0 40 FEAB COc1ccc(CCOC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 6369072 HEQWFMZDHFSEFX-VLIAUNLRSA-N 374.437 2.282 0 40 FEAB O=c1cc(CSc2nnnn2CCc2cccs2)nc2ccccn12 14020639 KFTRDIGHJBMJDQ-UHFFFAOYSA-N 370.463 2.278 0 40 FEAB COCC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC3CC3)C(=O)C[C@H]12 306134242 NGXBIQLXLUPMRJ-GHTZIAJQSA-N 356.466 2.204 0 40 FEAB O=C(CCn1cnc2ccsc2c1=O)Nc1ccc2c(c1)OCCO2 14125325 GFFDDKIMAUXBRH-UHFFFAOYSA-N 357.391 2.258 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 6787202 UVDBSMKLZBRKRY-FQEVSTJZSA-N 368.389 2.449 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 15511395 UKWFAPNQCKIRRT-UHFFFAOYSA-N 363.826 2.326 0 40 FEAB O=C(CN1CCCCCC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 7424409 URJFOLCUGJTCML-UHFFFAOYSA-N 367.247 2.433 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 9449187 JITAPADTZIGFFM-UHFFFAOYSA-N 358.419 2.252 0 40 FEAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 7983947 OXHDUJVCHMGWOF-LBPRGKRZSA-N 374.890 2.278 0 40 FEAB Cc1c(C(=O)NC2CCN(CCOC(C)C)CC2)cnn1-c1ccccn1 81997737 HOAOFECFGSQLOQ-UHFFFAOYSA-N 371.485 2.195 0 40 FEAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F 20731844 SZETUVQOMCSPSF-OAHLLOKOSA-N 366.780 2.032 0 40 FEAB NC(=O)COc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 9514942 SOCLZGHVXRLAPR-UHFFFAOYSA-N 368.418 2.245 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)Cc1n[nH]c(=O)c3ccccc13)OCO2 23688304 PXJHQHAAHZYQGD-UHFFFAOYSA-N 365.345 2.036 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18020977 CBERJTATGUNKBD-YHUYYLMFSA-N 351.406 2.016 0 40 FEAB C[C@@H](O)c1cn(C2CN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)nn1 95998099 MHIFEMPJRCUCLZ-CYBMUJFWSA-N 358.417 2.366 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC)c(Cl)c1 408617804 DFHJOKDRPRJUIZ-UHFFFAOYSA-N 362.879 2.323 0 40 FEAB Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(n1)c(C)nn2C 28557441 NQIIXWPMSYGIBJ-UHFFFAOYSA-N 368.416 2.082 0 40 FEAB O=C(NCCCCCO)C(=O)NCC(c1ccccc1)c1ccccc1 408706624 BAFZCTPRWXQNAM-UHFFFAOYSA-N 354.450 2.214 0 40 FEAB COc1ccccc1OCc1nnc(SCC(=O)NC(C)(C)C)n1C 35311047 MEHZPICLCBKYJN-UHFFFAOYSA-N 364.471 2.410 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(C)=O)cc1 226401313 FVFJOIYTKDVNGT-HMSXXHTOSA-N 366.417 2.059 0 40 FEAB CSCC[C@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 75157534 YQJCRCXATRZXHP-KRWDZBQOSA-N 373.540 2.032 0 40 FEAB Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 575443469 KMYWPODEMXEJNZ-CYBMUJFWSA-N 354.410 2.396 0 40 FEAB COCCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn1 225924610 OSUCLTPDNHAPHJ-UHFFFAOYSA-N 353.419 2.349 0 40 FEAB COc1ccccc1CN(C)C(=O)COc1ccc(S(C)(=O)=O)cc1 44204735 VCFDRVRWMNZPFA-UHFFFAOYSA-N 363.435 2.136 0 40 FEAB O=C(NCc1nc(-c2ccccc2F)cs1)N[C@@H]1CC[S@](=O)C1 574465710 DAAGPYXAKFOAOF-WYVULQQZSA-N 353.444 2.269 0 40 FEAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1 96108500 TVQROIAITPJBTC-APWZRJJASA-N 357.479 2.330 0 40 FEAB Fc1cnc(N2CC[C@@]3(COCc4cnc(-c5cccnc5)nc43)C2)nc1 96244261 PKSVIBRKCJZPAR-IBGZPJMESA-N 364.384 2.146 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(CCOCc3ccccc3)C2)C1)C1CC1 96206510 SGINSHVVMZVSMR-PZJWPPBQSA-N 358.482 2.353 0 40 FEAB Cc1cc(C(=O)N2CCc3nc(N4CCOCC4)nc(C)c3C2)c(C)o1 96253875 VMYGNQBBFZLLJN-UHFFFAOYSA-N 356.426 2.030 0 40 FEAB COC[C@@H]1COCCC12CCN(C(=O)COc1ccc(F)cc1)CC2 96106372 OSMSIZJKAXOPHW-OAHLLOKOSA-N 351.418 2.496 0 40 FEAB O=C1COC2(CCN(C(=O)c3ccsc3)CC2)CN1Cc1ccccn1 96049215 PDTYBADWHWYFRF-UHFFFAOYSA-N 371.462 2.177 0 40 FEAB CCc1cnc(N2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1 96050707 TXAPOFLTJJBTLR-SFHVURJKSA-N 357.483 2.433 0 40 FEAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(F)cc1OC)C2 96039293 HKZJXSSTOLBPSG-PKOBYXMFSA-N 351.418 2.421 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 96066348 OUROXTGYHCJDTR-CEXWTWQISA-N 355.438 2.218 0 40 FEAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1ccccc1F)C2)N1CCCC1 247743191 PGQTYQYWBGECDR-KRWDZBQOSA-N 362.445 2.198 0 40 FEAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN([C@H](C)C(N)=O)C2)on1 257237876 HIPWLQXLNYNYLO-KGLIPLIRSA-N 368.441 2.054 0 40 FEAB O=C(CN1CCCCC1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257329896 XLYQCNPGYCEIGC-MRXNPFEDSA-N 368.485 2.134 0 40 FEAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)CCO2)n1 257309956 UDAZRPQGQOQSCL-AWEZNQCLSA-N 355.398 2.095 0 40 FEAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)c3nccn3C)CC2)C1 257299029 ROKDMWNFEBBSKQ-KRWDZBQOSA-N 372.444 2.459 0 40 FEAB COC(=O)CC[C@@H](NC(=O)c1cn2cc(CN)ccc2n1)c1ccccc1 1121872231 HIJGMOZNPAAQII-MRXNPFEDSA-N 366.421 2.217 0 40 FEAB O=C(O)c1sccc1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1 656727170 GQCONIVCLCEDMS-LBPRGKRZSA-N 371.411 2.348 0 40 FEAB COCc1nc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)no1 681934901 ZMRFNMVESJUCBV-STQMWFEESA-N 354.451 2.322 0 40 FEAB CCc1ncc(C(=O)N2CCC[C@](O)(COc3cccc(F)c3)C2)cn1 585276046 ITUKHYHESOCKGB-LJQANCHMSA-N 359.401 2.224 0 40 FEAB COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@H](C)C2 585098676 WSVCWCNBSIQRNL-CQSZACIVSA-N 354.454 2.003 0 40 FEAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCCCNC1=O 47212558 BPYKVFDTAZKEBD-MRXNPFEDSA-N 357.410 2.269 0 40 FEAB CC[C@H](C)n1ncc2c(C(=O)N3CC[C@](F)(C(=O)OC)C3)cc(C)nc21 74502216 BDQBWNFJJGHGPQ-KPZWWZAWSA-N 362.405 2.438 0 40 FEAB Cc1csc(CNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 41220245 WQFBBHMHNVNEGB-UHFFFAOYSA-N 355.322 2.028 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(c2ncc(Br)cc2Cl)CC1 276944788 SPSFPZMHTYCJFU-LBPRGKRZSA-N 374.666 2.325 0 40 FEAB Cc1nc(C)c(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)s1 661177270 NGDDKWIAKIVTQG-IYBDPMFKSA-N 355.463 2.377 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5240580 OIIOZTQGOUYZKV-CQSZACIVSA-N 356.378 2.118 0 40 FEAB Cc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 12374087 GSDDPSQXSLHZAH-UHFFFAOYSA-N 365.437 2.411 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 12565664 XUIWVCFZTBMYSG-AVBTWRTFSA-N 369.465 2.161 0 40 FEAB C[C@H]1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C[C@@H](C)O1 13115658 CGASQDXEZFOVIF-OKILXGFUSA-N 372.450 2.194 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C 13565148 KWVPCEYTUUHIGH-RRFJBIMHSA-N 365.547 2.411 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 14796116 ZTTYRSOTOXIDFX-CQSZACIVSA-N 372.421 2.477 0 40 FEAB Cc1noc(C)c1CC(=O)N[C@H](C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 19580430 XGQGHRNEDVPVEN-CYBMUJFWSA-N 373.457 2.031 0 40 FEAB O=c1/c(=C\c2ccccc2N2CCOCC2)sc2nc3ccccc3n12 169006068 FWQRNJQJLLORJV-QGOAFFKASA-N 363.442 2.294 0 40 FEAB C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@@H](C)c1ccccc1C(F)(F)F 164183285 IFRQLOPYSGGYCX-SUNKGSAMSA-N 373.375 2.093 0 40 FEAB COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccccc1 5559819 UEPOQPFQDYAVKP-CYBMUJFWSA-N 373.434 2.453 0 40 FEAB O=C(Cn1cnnn1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 7180113 RQQVVNYAVFXINW-UHFFFAOYSA-N 360.377 2.269 0 40 FEAB Cc1cn2nc(N3CCN(c4ncnc5ccsc45)CC3)ccc2n1 1888916452 SGWPAFAXUADHPP-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB Cc1nc(N)cc([C@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)n1 1848353820 SXEYLZOJIYDIPE-QGZVFWFLSA-N 350.426 2.389 0 40 FEAB CCn1cc(CN2CCC[C@H]2c2nc(C)ncc2CNC(C)=O)c(C)n1 1848441881 YYDQVNDGTWTPHH-SFHVURJKSA-N 356.474 2.283 0 40 FEAB Cc1ncccc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037839971 HCVVCAUXKFRLAL-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1=O 2037985377 HZIAAYLKHOTQCT-FQEVSTJZSA-N 360.454 2.084 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 2087051391 DBCWUIMQXXSWKP-UHFFFAOYSA-N 360.368 2.318 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C(C)C 1565543053 NEWAKNZVQXNYEV-CQSZACIVSA-N 352.504 2.198 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc(F)c1 3255884 FVCDQEZBBRHACN-UHFFFAOYSA-N 363.352 2.360 0 40 FEAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1 4061384 CONRFKYSLWTDRK-UHFFFAOYSA-N 371.466 2.352 0 40 FEAB aggregator O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1ccccc1F 15884273 GNLZFANFAAEXHR-UHFFFAOYSA-N 366.352 2.273 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)OCCS3)C(=O)C2 101324008 KQAICMLBJSJTMI-XJKSGUPXSA-N 373.540 2.267 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc1OC 4852641 LGLPRMXVPJIQRC-UHFFFAOYSA-N 367.409 2.487 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC)N2CCCC2)cc1 40090058 JXMWAEBMCGEFNF-OAHLLOKOSA-N 354.472 2.016 0 40 FEAB O=C(C[C@H](c1ccccc1)c1ccccc1O)NCCN1CCOCC1 20001416 IVQNCEZDISHTCX-LJQANCHMSA-N 354.450 2.363 0 40 FEAB CCCOc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)cc1 30997838 XZUVFUZFHCGUBK-UHFFFAOYSA-N 356.426 2.292 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)o1 51097671 UDQGWSCRIKPSJQ-PBHICJAKSA-N 361.486 2.477 0 40 FEAB Cc1nc2ccc(OC(=O)N(C)C)cc2c(=O)n1-c1ccc2c(c1)OCO2 20726390 ARVOOWCFDAQBKV-UHFFFAOYSA-N 367.361 2.483 0 40 FEAB CC(C)(C)c1ccc(O)c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 21006710 SNCPXSXLBUCQGE-LJQANCHMSA-N 359.426 2.349 0 40 FEAB CCc1noc(C)c1C(=O)NCCN1CCN(Cc2ccccc2)CC1 32758969 NPMXYAYVIMRKIV-UHFFFAOYSA-N 356.470 2.093 0 40 FEAB CC(C)NC(=O)CN1CCCN(c2ncnc3cc(Cl)ccc23)CC1 32777836 BXGYPUBHYGEKSJ-UHFFFAOYSA-N 361.877 2.320 0 40 FEAB COc1cc2nc(CN3CCc4ccccc4C3)[nH]c(=O)c2cc1OC 21821811 IXFUMBMFZLMLHB-UHFFFAOYSA-N 351.406 2.499 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c2ccccc21 41866572 ZMCSVNNRFCNGTL-INIZCTEOSA-N 369.465 2.372 0 40 FEAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 9726258 BHWMQICERFGZBR-MRXNPFEDSA-N 363.460 2.188 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1nc(N2CCCC2)ncc1Cl 47536155 GFMBQFIFJKFZHJ-UHFFFAOYSA-N 360.801 2.389 0 40 FEAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(N)=O)cc1 976895 WFUJIYYBVRTWKQ-UHFFFAOYSA-N 354.435 2.444 0 40 FEAB CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 19359996 FYTITWWUAXVSGM-HNNXBMFYSA-N 358.467 2.266 0 40 FEAB Cn1cc(NC(=O)CCNC(=O)OC(C)(C)C)cc(Br)c1=O 79071059 YZEDVKRMMUDJAH-UHFFFAOYSA-N 374.235 2.001 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N21 4450308 BHNLYGBJMNKDTM-KCWUNFHDSA-N 353.418 2.442 0 40 FEAB O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccc2c(c1)OCO2 4982263 LUAGAXAMYUYJME-UHFFFAOYSA-N 367.357 2.051 0 40 FEAB COc1ccc(Cl)cc1C(=O)NC(=S)Nn1c(C)nnc1SC 6223742 DQVWOQCIUHGOJT-UHFFFAOYSA-N 371.875 2.229 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCc1ccccc1OC(F)F 54819533 AGFVYSNPRFYIEG-UHFFFAOYSA-N 359.332 2.314 0 40 FEAB COc1ccc(C(C)=O)cc1CSc1n[nH]c(=O)n1C[C@H]1CCCO1 7349676 KZMXHMCFNKYVDZ-CQSZACIVSA-N 363.439 2.254 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8644323 OFOKVQZXMLKLCG-FQEVSTJZSA-N 366.373 2.455 0 40 FEAB Cc1ccc(/C=C/C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)o1 25730152 PQMMDFDQVRHHOB-BQYQJAHWSA-N 368.842 2.349 0 40 FEAB CN(C)c1cc(CNC(=O)Nc2ccccc2CN2CCOCC2)ccn1 48147954 AARJSDSGMJHAOY-UHFFFAOYSA-N 369.469 2.302 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 57996653 BVWCTVCHFHZOIA-OAHLLOKOSA-N 362.474 2.011 0 40 FEAB CCN(C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21)c1cccc(C)c1 57525500 LETNANXLQWHKHB-UHFFFAOYSA-N 351.406 2.062 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNCc2ccc(OC)c(OC)c2)ncn1 109070316 QOXOGSODHNKSKA-OAHLLOKOSA-N 357.458 2.294 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)Nc1ccc2c(c1)CCC2 95367664 XVOBJZACFCDDAN-QGZVFWFLSA-N 366.417 2.412 0 40 FEAB CCCCc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1 27449480 NHBHFDWVUKKEAG-UHFFFAOYSA-N 358.427 2.014 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58202481 LXKSJAYGJQHAJU-KEYYUXOJSA-N 363.889 2.445 0 40 FEAB C[C@@]12[C@@H](O)O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@H]1[C@H]3[C@@H]2[C@@H]2CC[C@H]5O[C@H](O)[C@](C)([C@@H]3[C@@H]25)[C@@H]14 104294657 RUNWBLQMNLXFAN-JUFFDQQNSA-N 358.478 2.237 0 40 FEAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCn2nc(C)cc2C)cc1 11562573 UZVCVORKESZFQI-UHFFFAOYSA-N 373.409 2.249 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1 3480526 IGIBWXWOUIWSTB-QGZVFWFLSA-N 351.406 2.487 0 40 FEAB O=C(c1ccn(COc2ccccc2Cl)n1)N1CCN2CCC[C@@H]2C1 28234014 XEMWPNRHXLODQN-CQSZACIVSA-N 360.845 2.493 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14137225 ISQMCQZNHBHRQD-UHFFFAOYSA-N 354.428 2.034 0 40 FEAB CCOC(=O)c1oc2ccccc2c1CN(C)[C@H]1CCS(=O)(=O)C1 14114232 JJZNAVDRXCPFBP-LBPRGKRZSA-N 351.424 2.228 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1OC 14161551 QBPQNTSMZBWSIZ-AWEZNQCLSA-N 363.439 2.126 0 40 FEAB Cc1ccccc1OCCOC(=O)CCc1c(C)nc2nc(N)nn2c1C 7796417 KIEKULPFSLHIPJ-UHFFFAOYSA-N 369.425 2.187 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(C(C)=O)cn2C)c1 83815646 COEJHLWEONOHDH-UHFFFAOYSA-N 358.350 2.053 0 40 FEAB CN(Cc1cccc(C(N)=O)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 83864112 KQKSAXJINADDBI-MRXNPFEDSA-N 369.446 2.247 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(O)c2)N1CCCO 8574854 ZVQCPFNDHGNGSN-LJQANCHMSA-N 365.389 2.416 0 40 FEAB Cc1ccc(CNC(=O)COc2cccc(S(C)(=O)=O)c2)cc1F 71912407 WJGSOHHTFFGICY-UHFFFAOYSA-N 351.399 2.233 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)O)C3)c(=O)oc2c1 8879751 KPZCAKUZBNZQRG-ZDUSSCGKSA-N 373.405 2.366 0 40 FEAB biogenic O=C(NC1CC1)c1cccc(CNC(=O)[C@H]2CCCN2c2nccs2)c1 84364178 UBWGZSGLXFJERP-MRXNPFEDSA-N 370.478 2.321 0 40 FEAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N 67240323 ORDCSAXUCSCVJP-UHFFFAOYSA-N 364.409 2.314 0 40 FEAB O=C(NCCCN1CCCC1=O)c1nn(-c2ccccc2)c2c1CCC2 22626765 SEEOQINJFWXSJL-UHFFFAOYSA-N 352.438 2.103 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)cc(C)c(=O)n4C)C2)n[nH]1 515047104 JGICGZYLYKCUKA-CYBMUJFWSA-N 366.425 2.295 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)NCC[C@H](C)n1nc(C)c(Cl)c1C 36614871 NFPURQDTIIQVDR-VIFPVBQESA-N 359.883 2.125 0 40 FEAB C[S@@](=O)C1(CNC(=O)NC2(c3ccc4c(c3)OCO4)CC2)CCC1 562449669 UCPIVEALZQDZTO-XMMPIXPASA-N 350.440 2.005 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(F)cc1 224146928 FLMIEWSLZJVRNN-UHFFFAOYSA-N 360.393 2.162 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)CC1 223096579 SNBLQSVEYYWLPE-ZDUSSCGKSA-N 369.421 2.033 0 40 FEAB Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3cccc(F)c3)nc21 44165995 VULIMPQIJZZGJD-UHFFFAOYSA-N 351.341 2.130 0 40 FEAB O=C(NCCn1nnc2ccccc2c1=O)C1(c2cccs2)CCCC1 225797388 APXWMNXZRUQCHB-UHFFFAOYSA-N 368.462 2.481 0 40 FEAB Cn1ncc2cc(C(=O)Nc3[nH]nc4c3c(-c3ccccc3)nn4C)cnc21 530861622 LDQVYCBOCJKMGH-UHFFFAOYSA-N 372.392 2.497 0 40 FEAB COc1c(C(=O)NCc2cccnc2)nnn1Cc1ccccc1Cl 96183587 UYJMZWYCNYVVIF-UHFFFAOYSA-N 357.801 2.313 0 40 FEAB CC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261947 BYBRTNINCIJBOR-IBGZPJMESA-N 374.437 2.478 0 40 FEAB Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nc(C)cs3)C2)cn1 96216674 JRKNKHXNTFTWLT-IIAWOOMASA-N 358.467 2.270 0 40 FEAB c1cc(CN2CCOC[C@@]3(C2)CN(Cc2ccsc2)CCO3)ccn1 96229438 CJGLNTXTOHWIQP-LJQANCHMSA-N 359.495 2.247 0 40 FEAB CN(C)C(=O)CN1CCC2(CC1)CN(c1ncccn1)c1ccccc12 96078817 XZFDLOLCFRRSPS-UHFFFAOYSA-N 351.454 2.050 0 40 FEAB CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583621197 ROPLQKYLGMJTIR-KBXCAEBGSA-N 359.474 2.434 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 96222787 CHBCTJGWBZGTLY-PKOBYXMFSA-N 356.401 2.492 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1 247972651 DPINDPJAPYVNIK-LJQANCHMSA-N 364.534 2.271 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC(C)C 257297440 RHGAULAVXQTUNV-INIZCTEOSA-N 358.486 2.277 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257334349 YFMXLJGWCMUILK-PXNSSMCTSA-N 370.428 2.355 0 40 FEAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)O 647129637 PCRZRICTPKBUOC-UHFFFAOYSA-N 367.427 2.225 0 40 FEAB CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)c1cc2ccccn2c1 1177564951 AHMQMHOIAXEETC-AWEZNQCLSA-N 353.382 2.211 0 40 FEAB CC(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 670279392 GTRNAAFDLDIWSG-OAHLLOKOSA-N 361.446 2.243 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@](CO)(Cc2ccccc2C)C1 585278297 RGXMWUWCMBGFLM-OAQYLSRUSA-N 355.434 2.450 0 40 FEAB CCOC(=O)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)[C@H](C)CC 72303242 FXYZFPFONABXPJ-AUUYWEPGSA-N 360.454 2.450 0 40 FEAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116791 GFGSLTMWAKTQHJ-INIZCTEOSA-N 371.359 2.387 0 40 FEAB COCc1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 40114001 XUMVJROZSGVFKX-UHFFFAOYSA-N 352.390 2.136 0 40 FEAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(C(F)F)s2)c1C 58005158 UCIFDYSPZRMHPW-UHFFFAOYSA-N 374.369 2.476 0 40 FEAB CN(C[C@H]1CCCN(C(=O)CSc2ccc(F)cc2)C1)S(C)(=O)=O 552606723 FPPJIXXUJHJGOG-CYBMUJFWSA-N 374.503 2.048 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 644001495 OHWUDVYZKWVXPY-HXUWFJFHSA-N 353.422 2.273 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2Cl)cc1 11514533 MUWMSRYIMQJFGF-UHFFFAOYSA-N 374.824 2.238 0 40 FEAB CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2cnn(C)c2)c1C 12365965 NIGCILFNNOAQJI-HNNXBMFYSA-N 351.476 2.251 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)cc1Cl 18063722 XUHCNVTWJDPZEE-AWEZNQCLSA-N 350.802 2.077 0 40 FEAB O=C(N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1)c1cc[nH]n1 19332449 QJFZKMCCTIREKB-INIZCTEOSA-N 367.384 2.223 0 40 FEAB CCOc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@@H]1CCO)O[C@H](C)C2 19532418 SELGONPKGMFWIJ-MNEFBYGVSA-N 360.498 2.440 0 40 FEAB Cc1noc(C)c1Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)s1 19581089 GGBBPYXKJUHBJK-LBPRGKRZSA-N 363.483 2.394 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnnc2)cc1)c1cccc(F)c1 19659291 FARRETJAQLWVGS-GOSISDBHSA-N 353.401 2.439 0 40 FEAB CN1C[C@H](C(=O)N2CCc3nc(-c4ccc(F)cc4)sc3C2)CC1=O 19719762 LSEUJTUVXCNJBE-GFCCVEGCSA-N 359.426 2.312 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCc3cccc(C)n3)C2)c1 19750361 IGYSHGCWPFXLGH-INIZCTEOSA-N 353.422 2.177 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19209863 TUKMOHXEQCMVHU-QGZVFWFLSA-N 350.466 2.379 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 1888930471 OAXNHADLFJKDQA-UHFFFAOYSA-N 370.413 2.441 0 40 FEAB CCN(Cn1nc(-c2ccccc2F)oc1=S)[C@H]1CCS(=O)(=O)C1 24177582 ITYWUTALRYEAKE-NSHDSACASA-N 371.459 2.478 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 252538263 MUFLFRFTDCTUNO-SHTZXODSSA-N 373.384 2.393 0 40 FEAB Cc1cccnc1C(=O)N1C[C@H]2CCN(Cc3ccnn3C)CC[C@H]2C1 2056223570 SVEUIAYISCBZMS-CALCHBBNSA-N 353.470 2.108 0 40 FEAB Cc1cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)nc(C2CC2)n1 2087140117 HNGOSAKVUYZMHF-UHFFFAOYSA-N 350.488 2.055 0 40 FEAB COCCO[C@H]1CCN(C(=O)Cc2ccc(F)cn2)[C@H]1Cc1cccnc1 1565549177 QWXZBQLTOAXZLC-OALUTQOASA-N 373.428 2.033 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)COc3ccccc3OC)CC2=O)c1 5194934 XNCWUKCSNKBRMO-CQSZACIVSA-N 370.405 2.004 0 40 FEAB COc1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 5221304 PPABFGGAUZCQIF-CQSZACIVSA-N 368.389 2.002 0 40 FEAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1cccs1 12440690 ZPMKQIWGUCQOSN-UHFFFAOYSA-N 355.437 2.365 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3CC[C@@]4(NC(c5ccccc5)=NC4=O)[C@H]3C2)cn1 2055713452 RFOGFNZKJMIING-KGVIQGDOSA-N 374.444 2.187 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2ccco2)CC1 2055756450 OQKQDWROOVGGQP-UHFFFAOYSA-N 357.454 2.489 0 40 FEAB COc1ccc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)cc1F 2086864744 GBHFAMNYQFBKPK-AWEZNQCLSA-N 356.463 2.223 0 40 FEAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)n1 225499589 WCTPVLLPWAUTJI-CQSZACIVSA-N 365.393 2.112 0 40 FEAB COc1ccccc1CN(C(=O)c1cnc(N)nc1C)C1CCN(C)CC1 19656028 DMVKGJYAPLRDLU-UHFFFAOYSA-N 369.469 2.112 0 40 FEAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc2n(c1=O)CCS2 20758623 ACSXMXYDCFUEAC-OAHLLOKOSA-N 354.435 2.113 0 40 FEAB biogenic COc1cccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1OC 40088501 WUTLVCJGYSDECW-OAHLLOKOSA-N 363.458 2.056 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 40090530 HZRLYISNHGETGR-GASCZTMLSA-N 362.445 2.243 0 40 FEAB Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)c1c([nH]c(=O)[nH]c1=O)N2 31808957 HKMCTILOJQKLMD-JTQLQIEISA-N 374.198 2.094 0 40 FEAB Cc1cccc2nc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cn12 32250512 OWQLHHXCVOHRLU-GOSISDBHSA-N 364.449 2.274 0 40 FEAB O=C(NCCC(=O)N1CCc2sccc2C1)c1ccc2[nH]cnc2c1 52220777 TWKKBHUVHXYCTF-UHFFFAOYSA-N 354.435 2.329 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F 652071 QDYXPBDOAWYGEO-UHFFFAOYSA-N 351.331 2.445 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1 53776539 ULOQZMHMOFRYGB-UHFFFAOYSA-N 369.490 2.404 0 40 FEAB Cc1ccc(S(=O)(=O)C2(C(=O)/N=c3/sccn3C)CCC2)cc1 104175825 IKZJXSBNRCPXKY-BMRADRMJSA-N 350.465 2.219 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 1442491 SWHYELYFXHVCKL-HNNXBMFYSA-N 365.407 2.348 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C1 42385764 XMEAESVNXWXJBW-FUHWJXTLSA-N 363.477 2.439 0 40 FEAB Cc1c(-c2ccnc3cc(C(=O)NCc4cccs4)nn23)cnn1C 2793805 KZLGMUMEEQYNCO-UHFFFAOYSA-N 352.423 2.430 0 40 FEAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 23731044 DYCOGQVJTXBGNZ-INIZCTEOSA-N 354.362 2.066 0 40 FEAB CC(C)=CC(=O)O[C@H]1[C@H]2[C@H](C[C@H](C)[C@H]3[C@H](O)CC(=O)[C@]13C)OC(=O)[C@H]2C 4900029 NVWSHXGIQXQTBM-FXZBBPJASA-N 364.438 2.038 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC1CCCCC1 4984933 PQPSPKZEQIAMLM-KRWDZBQOSA-N 355.438 2.087 0 40 FEAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1 12591234 PIOXNPSCMGFBDH-UHFFFAOYSA-N 370.434 2.233 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106154276 ISGUBSAUKHRAKY-YQQAZPJKSA-N 371.481 2.458 0 40 FEAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1cc(F)cc(F)c1 24989046 YYZWDWVIANTGLX-UHFFFAOYSA-N 351.397 2.238 0 40 FEAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4ccccc4C3)[C@H]2N1 34892175 DHLKEKGKCYSYGO-NUJGCVRESA-N 359.495 2.297 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1ccc(-n2cccn2)nc1)[C@H]1C[C@H]2CC[C@H]1C2 107329423 GPKAYWUQKAGXSG-WBTNSWJXSA-N 368.437 2.365 0 40 FEAB COc1ccc(C)cc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 43739212 JMOUQFNRFVJLNU-UHFFFAOYSA-N 367.361 2.036 0 40 FEAB O=C(NCN1C(=O)c2ccccc2C1=O)c1cccc(Br)c1 9233493 GBOGNMNLPOBINS-UHFFFAOYSA-N 359.179 2.433 0 40 FEAB O[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F 26898045 GCMZZRKITHCFMD-GOSISDBHSA-N 358.413 2.406 0 40 FEAB CC1(C)Cc2cccc(OCCNS(=O)(=O)N3CCCCCC3)c2O1 26882413 SAPDXOUSJCYQHQ-UHFFFAOYSA-N 368.499 2.489 0 40 FEAB C[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)N1CCNC1=O 10028945 DRTUVPJOFOYGEB-NSHDSACASA-N 357.439 2.177 0 40 FEAB COc1ccc(-n2ccc(C(=O)Nc3ccc4nc[nH]c(=O)c4c3)n2)cc1 58248511 QUXPYLIUKMEJCQ-UHFFFAOYSA-N 361.361 2.370 0 40 FEAB CN(CCS(C)(=O)=O)C(=O)c1cccnc1Sc1ccccc1 76213912 ITGOARMMUPEMCR-UHFFFAOYSA-N 350.465 2.349 0 40 FEAB CCCCN(C(=O)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3348777 AAWVIUKXJICFNI-UHFFFAOYSA-N 364.490 2.488 0 40 FEAB CN(c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O 22230519 VCFFAOXPGHILCU-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OC 11871649 TWPBWAFRCBAWJZ-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB COc1ccc(OCCN(C)C(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 29756914 YMEHMHGNBVBMGB-INIZCTEOSA-N 370.453 2.239 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 84718105 QLGOKMWZNZDBTF-QWHCGFSZSA-N 368.389 2.391 0 40 FEAB CN(Cc1ccccn1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 96000003 JCDIMEQLMPWADE-SFHVURJKSA-N 373.478 2.148 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 5388030 AEOSGBGSQXVVTM-UHFFFAOYSA-N 369.402 2.397 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1F 6538007 TVIYJQDTCAJNBR-UHFFFAOYSA-N 361.325 2.401 0 40 FEAB Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1CCCO)C(=O)N2 6661536 UEOSOGHIDIVJHI-MRXNPFEDSA-N 363.417 2.366 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5614499 SHCDAWUHRCUHEJ-UHFFFAOYSA-N 354.447 2.239 0 40 FEAB COc1cc(/C=C/C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1OCCO2 7118516 JOOUBRCQKTZLFT-SNAWJCMRSA-N 370.405 2.101 0 40 FEAB CCNC(=O)c1cccc(NC(=O)COc2ccccc2NC(C)=O)c1 7895613 DIZRXGJBPGLCHH-UHFFFAOYSA-N 355.394 2.412 0 40 FEAB Cc1cc(COC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)no1 7838074 CMAUXHXRJGMUPZ-UHFFFAOYSA-N 358.375 2.388 0 40 FEAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 16552860 YOKFAKXACRIIJW-JTQLQIEISA-N 351.432 2.455 0 40 FEAB O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cccc(N2CCCNC2=O)c1 81412283 LWUUMIPKSAMNHL-MRXNPFEDSA-N 356.470 2.353 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 8395682 ICTCOMASIBHPBL-GOSISDBHSA-N 365.393 2.472 0 40 FEAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N=c1[nH]c2ccccc2[nH]1 17304477 DRCWDYIBUJGDMA-CYBMUJFWSA-N 358.423 2.068 0 40 FEAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1Cl 8756168 DVKNNDHVMQKDBB-JTQLQIEISA-N 351.255 2.249 0 40 FEAB COC[C@](C)(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(F)(F)F 72303369 XVDDHBZYWRCHJD-HNNXBMFYSA-N 373.306 2.069 0 40 FEAB CCc1nc(Cl)c(C)c(N2CCC(C(=O)N3CCOCC3)CC2)n1 72307807 SZCRDXMNWLNMTI-UHFFFAOYSA-N 352.866 2.076 0 40 FEAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 95997697 QKVATGBDQSMIJS-ZBEGNZNMSA-N 365.861 2.154 0 40 FEAB Cc1nc(CO[C@@H]2CN(c3ncc(F)cn3)Cc3ccnn3C2)cs1 306140182 UMJNJXAHPYQXOD-OAHLLOKOSA-N 360.418 2.183 0 40 FEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 409065066 FXYCMIDXYFPHNY-ITTMYVLYSA-N 351.380 2.302 0 40 FEAB Cc1ccc(C)c([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 30763431 ZNYSYCUQQPSPIA-CQSZACIVSA-N 372.446 2.325 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2F)cs1 506602181 NVPCAYOMFOMTFX-AAEUAGOBSA-N 352.410 2.328 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 72334937 VVZUWWWPDHLJNR-LBPRGKRZSA-N 355.423 2.172 0 40 FEAB Cc1nc2cc(-c3nccn3C)nn2c(NCCCN2CCCC2=O)c1C 72338509 STRZQBIUTQCTIK-UHFFFAOYSA-N 367.457 2.171 0 40 FEAB CCOC(=O)c1ccc(OC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 32722063 TZLXCCDWTRDEPI-UHFFFAOYSA-N 374.393 2.023 0 40 FEAB Cc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72392998 RRROELQNVKONKV-KRWDZBQOSA-N 362.437 2.310 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1Cl 37866472 QDSLCHJCYYXTEW-UCLYDKIOSA-N 363.797 2.328 0 40 FEAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC2CCCCCC2)c1 44892253 DKNSBFHGNJECFB-UHFFFAOYSA-N 368.437 2.429 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 225809134 XXXFLJZTXHALLZ-UHFFFAOYSA-N 362.817 2.047 0 40 FEAB COc1ccccc1CCNC(=O)C(=O)Nc1c(C)nn(CC(C)C)c1C 49544935 FBSRYLANRCKDPJ-UHFFFAOYSA-N 372.469 2.462 0 40 FEAB O=C(c1cccc(Oc2ccccn2)c1)N1CC[C@H](N2C(=O)COC2=O)C1 225702673 PDDHHKNUQXEULZ-AWEZNQCLSA-N 367.361 2.067 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)Cc1ccccc1Cl 224609719 DLOXDBJLJVIXAD-UHFFFAOYSA-N 353.831 2.135 0 40 FEAB COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)C3(C)CC3)C2)c1 333449059 RGUAFICWZSQVRK-ZDUSSCGKSA-N 354.472 2.002 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)COc1ccccc1)C2 96227533 SDSCALJMLIQSGE-GHTZIAJQSA-N 365.433 2.015 0 40 FEAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)CCn1ccnc1 257208244 BLHWHWVWSGTDJC-LFGUQSLTSA-N 362.518 2.136 0 40 FEAB O=C(CCN1CCCCC1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1 257266999 MFMOOVDOFUVYON-UHFFFAOYSA-N 368.485 2.449 0 40 FEAB CN(C)CC(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257254277 KCLFAADJJUBBLQ-MAUKXSAKSA-N 360.454 2.175 0 40 FEAB Cc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)c2c(C)noc2n1 257337245 YRZUIYMFCGTQFW-OAHLLOKOSA-N 353.382 2.152 0 40 FEAB COc1ccccc1C1(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CC1 264644249 CSAPVUUUDXIBAT-UHFFFAOYSA-N 368.481 2.195 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1C[C@]1(C)Br 606444907 GHVCCNYKEUJCIF-MDHDOXDCSA-N 356.264 2.178 0 40 FEAB C[C@@H]1CC2(CCNCC2)CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 623072616 JDCDMQHJSBYJNZ-CYBMUJFWSA-N 351.472 2.086 0 40 FEAB O=C(c1cn2c(n1)COCC2)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 625942295 AOEVWVKQEHGJEE-HTQZYQBOSA-N 357.254 2.226 0 40 FEAB NC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 646076384 YPQVBNYAUDXASQ-DYESRHJHSA-N 365.433 2.462 0 40 FEAB COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1cnn(-c2ccccc2)n1 90608593 BIWCCBFEQGIJOA-INIZCTEOSA-N 368.418 2.241 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)[C@H]1n1cccn1 667834674 PKJWVSOTGSBMHP-JFIYKMOQSA-N 373.432 2.208 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)NCCN3CCSCC3)c2c1 603603878 VJKMYPNEHONWFY-UHFFFAOYSA-N 362.499 2.067 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)N1CCC(C)CC1)c1ccc(C)cc1 37170311 OFFHBVHMEMFUJU-MRXNPFEDSA-N 354.472 2.166 0 40 FEAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 45827945 KMCRHXAZNWTZNB-UHFFFAOYSA-N 372.469 2.439 0 40 FEAB CN(C(C1CC1)C1CC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 51159436 JREVAVGCPAYKFK-UHFFFAOYSA-N 370.858 2.480 0 40 FEAB CN1CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2ccccc21 51276236 AEGKIAYNLUFAJZ-HOTGVXAUSA-N 370.497 2.310 0 40 FEAB CCc1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cnn1-c1ccccn1 56954676 DSFWBFDGJKKKBE-HNNXBMFYSA-N 366.425 2.458 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5240493 ALJABWDBQXZYAZ-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB Cc1ccc(O)c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1 5679663 JEYQKAMWWPYGAD-UHFFFAOYSA-N 374.368 2.094 0 40 FEAB Cc1nn(C(=O)c2ccco2)c(C)c1S(=O)(=O)N1CCCCCC1 11025674 KUTNOMGBSGRLSD-UHFFFAOYSA-N 351.428 2.346 0 40 FEAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 12365338 SBWFJMZXXLEKQA-NRFANRHFSA-N 365.433 2.498 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCCc3ccccc32)cc1 12534663 YFSCSQYOPKMFNV-UHFFFAOYSA-N 359.451 2.115 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 14795985 JHJUFCGIGCSIMV-UHFFFAOYSA-N 372.421 2.479 0 40 FEAB CC1CCN(c2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)CC1 10213349 SQZGHUHEDZSOFF-UHFFFAOYSA-N 355.442 2.268 0 40 FEAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(Cc4ccccn4)C3)C2)c1 2056224796 WDJSIMDRBRCOTN-FQEVSTJZSA-N 353.470 2.334 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)c1 1614935807 UQHVOFGYQIOOGJ-FVQBIDKESA-N 371.462 2.425 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)cc1F 1565554254 VXQHTKVFONKCTE-INIZCTEOSA-N 364.461 2.479 0 40 FEAB CC1CC(C(=O)N2CC[C@H]3C[C@H](C(=O)N(C)Cc4ccccn4)O[C@H]3C2)C1 1565548449 DALVJWITCWPTTR-SCMYTZDRSA-N 371.481 2.092 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N(CCO)Cc1ccccc1 4374021 UVTUOWFLSODALU-QGZVFWFLSA-N 371.412 2.135 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2ccco2)CC1 2055713758 HUBOJDOGUYWBCC-UHFFFAOYSA-N 354.410 2.377 0 40 FEAB COc1cccc(NC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1 49483215 ZHMQSXLFUGDMBM-UHFFFAOYSA-N 352.354 2.167 0 40 FEAB Cn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccc2)n(C)c1=O 891969 YFWOBBMPMHHNHB-UHFFFAOYSA-N 367.453 2.227 0 40 FEAB biogenic CCOc1ccccc1NC(=O)NCCNc1cc(-n2cccn2)ncn1 35597346 FCKBTGTWNYVIIS-UHFFFAOYSA-N 367.413 2.295 0 40 FEAB CCC(C)(C)NC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 40161966 NDKICJRCCAXOEW-UHFFFAOYSA-N 355.456 2.117 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccnc1-n1cccn1 31227488 MTUOZZCENAEUJV-CXAGYDPISA-N 350.378 2.112 0 40 FEAB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 100864037 JWCLYULVJORWMV-DJBIQUGXSA-N 352.173 2.277 0 40 FEAB Oc1ccc(N2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)cc1 51114465 OWHIKQMCJMQWQS-UHFFFAOYSA-N 364.331 2.175 0 40 FEAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3ccccc3)n2)cc1 20724754 SEGQQBPCOQROIQ-UHFFFAOYSA-N 367.361 2.365 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)OCc3cccc(F)c3F)ccc2c1=O 51875355 KUSRSGMHIXTRDB-UHFFFAOYSA-N 360.316 2.345 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)N1 21473874 LSTOBCYAYHYRNV-UHFFFAOYSA-N 373.409 2.368 0 40 FEAB COc1ccc2cc([C@H](C)C(=O)Nc3cnn(CC(N)=O)c3)ccc2c1 32931801 KUBLZUIYTIQASA-LBPRGKRZSA-N 352.394 2.272 0 40 FEAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1CCS(=O)(=O)C1 61002643 YHFRKTQLZVHCFT-OAHLLOKOSA-N 367.902 2.478 0 40 FEAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 12409533 DGYUATBJKYSJKZ-SNVBAGLBSA-N 352.412 2.298 0 40 FEAB CCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O 4161555 ZFXVLBRMCVFBCG-UHFFFAOYSA-N 361.467 2.148 0 40 FEAB COCCN(Cc1ccccc1)C(=O)CCN1C(=O)COc2ccccc21 23597377 MXMRQEYPZTYUBN-UHFFFAOYSA-N 368.433 2.477 0 40 FEAB Cc1cc(O)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 4864530 ABTPWJHVZOPVRF-UHFFFAOYSA-N 360.439 2.058 0 40 FEAB CC(C)CCC[C@H](C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7091852 XNOJWJPENZBLIT-ZDUSSCGKSA-N 359.426 2.411 0 40 FEAB O=C(c1cccnc1)N1CCO[C@H]2CCN(Cc3ccc(F)cc3)C[C@@H]21 108529412 HBRDFZJENBWCHX-OALUTQOASA-N 355.413 2.336 0 40 FEAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609618 SKCHLTSFHSKBFA-UHFFFAOYSA-N 356.463 2.236 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCCCOc2ccc(F)cc2)c1 8185969 WSUVOACEXIIPRU-UHFFFAOYSA-N 367.398 2.360 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(C(=S)Nc2ccccc2F)CC1 34867966 WYAMTAQQSKBAQB-UHFFFAOYSA-N 352.479 2.055 0 40 FEAB C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1sccc1C(N)=O 10032653 RXGDLLHNWIRJQB-SSDOTTSWSA-N 354.334 2.309 0 40 FEAB O=C(CN1CCC(O)CC1)Nc1ccc(NC(=O)c2cccs2)cc1 58191914 KKLZAUMZVDKNNK-UHFFFAOYSA-N 359.451 2.396 0 40 FEAB COC(=O)c1sccc1NC(=O)CN1CCc2ccc(O)cc2CC1 58298297 UZJYMMGEJCBGAB-UHFFFAOYSA-N 360.435 2.280 0 40 FEAB CCc1[nH]c(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(C)c1C(=O)OC 58218276 NHFJJGSMSXICCF-ZDUSSCGKSA-N 363.458 2.049 0 40 FEAB O=C1NC(=S)N/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 2155502 WIGXHEFVHQTFEP-DHDCSXOGSA-N 354.387 2.309 0 40 FEAB CN1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 20464023 MYCPNZCEADGJTP-ZFWWWQNUSA-N 365.397 2.094 0 40 FEAB biogenic,in-vitro NC(=O)C1(N2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)CC1 2578165 JPCWJJXHSPQHCE-UHFFFAOYSA-N 356.392 2.411 0 40 FEAB NC(=O)N1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 60363719 QDCIPPNTRKVPQA-UHFFFAOYSA-N 359.451 2.129 0 40 FEAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 62346624 YDYPYIMOWSUMNZ-FRRDWIJNSA-N 352.406 2.073 0 40 FEAB CCN(CC(=O)NC(C)C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48369043 LRUPUFGWRAYAOU-UHFFFAOYSA-N 370.379 2.028 0 40 FEAB COc1cc2c(cc1OC)CN(Cn1ncc3ccccc3c1=O)CC2 12870019 VVWKWXZCCDNALQ-UHFFFAOYSA-N 351.406 2.430 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1 12978114 CPSHXHYWEQDBJX-SFHVURJKSA-N 366.333 2.059 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCCO2 13186483 BNOSZSNADOALNT-UHFFFAOYSA-N 367.354 2.486 0 40 FEAB CC(C)CN1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O 29753129 VXLCFFVQKSDGDN-SFHVURJKSA-N 357.498 2.272 0 40 FEAB O=C(CNC(=O)C1(c2ccccc2)CCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 39559621 VJIMOFQJCSDNIL-UHFFFAOYSA-N 364.405 2.033 0 40 FEAB CCCCc1nc(C)cc(N2CCCN(CC(=O)N3CCCC3)CC2)n1 96011500 AWKDMMZAEVEJGA-UHFFFAOYSA-N 359.518 2.262 0 40 FEAB COc1ccc(Br)c(C(=O)NCc2nnc3ccccn23)c1 14184777 IHZBPMGEWNQUKS-UHFFFAOYSA-N 361.199 2.430 0 40 FEAB COc1cc(OC)cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 14246679 BAIYQYBEOPPHGN-HXUWFJFHSA-N 370.449 2.335 0 40 FEAB COc1ccc(C(C)=O)cc1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 14356192 CTZKVDZFZIXWJQ-UHFFFAOYSA-N 366.373 2.389 0 40 FEAB O=C(COC(=O)c1cc2ccccc2[nH]1)NCc1ccc2c(c1)OCO2 5532134 CGJITCXZTZFAFZ-UHFFFAOYSA-N 352.346 2.370 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)c1 5877497 HVZDYONDDTYNFJ-KDOFPFPSSA-N 362.451 2.239 0 40 FEAB COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 5890850 MSQZIWNQWHUTOG-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB COc1ccc(CCNC(=O)CCNc2nc(Cl)nc3[nH]cnc23)cc1 9420696 HXCLKTYCKXSQMY-UHFFFAOYSA-N 374.832 2.176 0 40 FEAB C[C@@H](O)CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9477008 XSWGSPMZQFTROJ-GFCCVEGCSA-N 369.373 2.041 0 40 FEAB biogenic C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC(N)=O 7790645 MJDQYMSMKQTGHP-VIFPVBQESA-N 370.438 2.437 0 40 FEAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 8762614 CKMIALLRCSYXBX-UHFFFAOYSA-N 373.413 2.008 0 40 FEAB CC(C)(C)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 8779721 NYUDTJJRPRHBNL-UHFFFAOYSA-N 362.474 2.280 0 40 FEAB CN(CCOc1ccccc1F)CCC(=O)Nc1sccc1C(N)=O 8728782 JOKQTKWJZCLSLP-UHFFFAOYSA-N 365.430 2.326 0 40 FEAB CCn1c(=O)n(CC(=O)N[C@@H]2CCOc3ccccc32)c2ccccc21 9721875 CIVGJLHVFCKHMC-OAHLLOKOSA-N 351.406 2.463 0 40 FEAB CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C[C@@H]1O 95993559 BUJOZRWSCWJQEM-ZFWWWQNUSA-N 372.462 2.066 0 40 FEAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 20457895 YSAOZSCPICQLLJ-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB O=C1CCN[C@@H](c2cc(Br)c(O)c(Br)c2)N1 408736845 JCGKHUGOBONNNS-SNVBAGLBSA-N 350.010 2.025 0 40 FEAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCCc1ccccc1 22107696 SXGSKEQAZPEIGN-QGZVFWFLSA-N 358.482 2.377 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)/C=C/c2ccccc2)c1 29083450 QPAJQTHNCGCARE-ZHACJKMWSA-N 358.463 2.411 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408591720 JEYYGWTZEDWXOW-UHFFFAOYSA-N 369.487 2.409 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 306127248 FTBDXFJJABCKCO-OAHLLOKOSA-N 359.413 2.235 0 40 FEAB O=c1cc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)[nH]c2ccnn12 513833377 BIBUMMFVQDFCQF-CQSZACIVSA-N 354.414 2.400 0 40 FEAB Cc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1F 238813750 AYEXQSWPLDAEPU-IRXDYDNUSA-N 370.424 2.229 0 40 FEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222872983 MXIIRBOZDKYPAR-MRXNPFEDSA-N 370.449 2.280 0 40 FEAB CN1C(=O)N(CC(=O)NCCc2cccc(F)c2)C(=O)C12CCCCC2 45438972 RMNNXIGYCHIRGN-UHFFFAOYSA-N 361.417 2.081 0 40 FEAB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3cnccn3)C2)cc1OC 225792778 HBQRPIOHSWTNDA-DRDHIDPGSA-N 355.394 2.187 0 40 FEAB CC(C)CN1C[C@H](C(=O)NCCCc2nc3ccccc3n2C)CC1=O 96223028 ZGFLOIZCDFTVSH-OAHLLOKOSA-N 356.470 2.127 0 40 FEAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)C1 96228902 JLSNROKNIREKIS-HXUWFJFHSA-N 357.454 2.120 0 40 FEAB CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1 583615014 MOMIXDJNINSIIS-MOPGFXCFSA-N 371.485 2.498 0 40 FEAB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 96602226 LCZXICCWOCJATN-WBVHZDCISA-N 369.373 2.047 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)O)cc1 242722750 XTWMIXZNVMMWMP-LMMKCTJWSA-N 359.447 2.279 0 40 FEAB COc1ccc(CC(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)cc1 257209469 BQMXFKMPWTXNMQ-HNNXBMFYSA-N 354.454 2.481 0 40 FEAB Cc1ccsc1CN1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 253599949 YWOFDEKZMWBIPJ-OAHLLOKOSA-N 355.525 2.472 0 40 FEAB Cc1nc(N)cc([C@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)n1 257223550 DXWYOKABGWAUNV-OAHLLOKOSA-N 350.426 2.230 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1)C(=O)OC 36576268 AZAXPLJJQQAZRH-MJEQTWJJSA-N 371.441 2.050 0 40 FEAB biogenic O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc2c(c1)OCO2 36596460 HVWABYGSKVPTDN-CYBMUJFWSA-N 353.334 2.144 0 40 FEAB biogenic CC(=O)N1CCN(C(=O)NCCCc2ccccc2)CCC12CCOCC2 1615546725 BVOASXGRZWUSLR-UHFFFAOYSA-N 373.497 2.432 0 40 FEAB Cc1ccc(-n2nnc(C(=O)N3CCN[C@H](c4ccncc4)C3)c2C)cc1 669725737 WLTMTFDHNGSKAH-SFHVURJKSA-N 362.437 2.066 0 40 FEAB COCC1(CC(=O)N(C)[C@H]2CCCN(C(=O)c3cc(C)no3)CC2)CC1 1775990154 VOFGTLLFXFSHJN-HNNXBMFYSA-N 363.458 2.253 0 40 FEAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(c2ccccc2Cl)CC1 575606109 DMGKKHUCPXJYPA-UHFFFAOYSA-N 372.856 2.123 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)c1ccco1 585111758 ASNXEDJFZOAZOV-INIZCTEOSA-N 351.410 2.248 0 40 FEAB C[C@@H]1c2ncc(CCOCc3cccnc3)n2CCN1Cc1cn[nH]c1 585096793 AUHDABIYNAILTK-OAHLLOKOSA-N 352.442 2.337 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108387 DJMVGJWCQSHNNP-ICSRJNTNSA-N 370.453 2.043 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@@H]21 53760576 GGJOWSXEDODYAJ-HOCLYGCPSA-N 355.438 2.261 0 40 FEAB CCOC(=O)Cc1nnc2c(Nc3ccc(C)c(C)c3)nc3nonc3n12 5332566 VWLCTURPERJIAH-UHFFFAOYSA-N 367.369 2.127 0 40 FEAB COCCNC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12157031 IPZDBMQTBUYGTC-QGZVFWFLSA-N 360.454 2.438 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12752219 NAMRZHPZJUMMMM-GFCCVEGCSA-N 366.414 2.482 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585853 GHDMKLQCJXZZMK-LBPRGKRZSA-N 370.496 2.419 0 40 FEAB Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)ccc1Br 17072990 ABKXHKWZXOKMGN-VOAKCMCISA-N 352.184 2.350 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@H](Cc2cccs2)c2ccccn2)n1 19131074 ULEHGHHDRNGPRJ-MRXNPFEDSA-N 354.435 2.108 0 40 FEAB NC(=O)c1ccc(-c2ccc([C@@H]3CN(c4ncccn4)CCO3)nc2)cc1 19692598 AGKUGWYCKUIKHZ-SFHVURJKSA-N 361.405 2.215 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 19929958 VHZYBAABCGBZHM-GOSISDBHSA-N 369.396 2.248 0 40 FEAB CN1C[C@@H](c2cc(=O)[nH]c(N3CCC(Cc4ccccc4)CC3)n2)CC1=O 19587494 RVFJPMMDIICHER-KRWDZBQOSA-N 366.465 2.175 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 5517329 YNAQCAFKUOSMKM-CQSZACIVSA-N 370.236 2.480 0 40 FEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 5559928 VHJMGFLVOHOPEQ-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849682 INMSOKDLYTXYCC-PHIMTYICSA-N 351.332 2.032 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)nn1 1888856557 TVUGIQMBDUOLCA-IYBDPMFKSA-N 351.454 2.378 0 40 FEAB Cc1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccc(C)c(C)c4)C[C@H]3C2)nn1 1888890412 ACLCEINNWGSBQJ-CALCHBBNSA-N 372.494 2.159 0 40 FEAB Cc1cc(C)nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 1888913140 YWIRNCAVXKRRNH-UHFFFAOYSA-N 362.436 2.359 0 40 FEAB Cc1csc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1 1565554507 TWDWMCLKDNLTBN-NVXWUHKLSA-N 364.511 2.398 0 40 FEAB CCn1c(C)c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 4912524 YYZNKDIHBISKBJ-UHFFFAOYSA-N 365.437 2.029 0 40 FEAB CCOc1ccccc1NC(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O 8588258 NCATZECPGNWDQI-UHFFFAOYSA-N 365.389 2.037 0 40 FEAB COc1ccc(CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)cc1F 2086864745 GBHFAMNYQFBKPK-CQSZACIVSA-N 356.463 2.223 0 40 FEAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](N2C(=O)COC2=O)C1 225701480 VZYWXUMFVWGJCV-KRWDZBQOSA-N 364.401 2.398 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2cnccc2=O)CC1 585639126 ZISUUBSIMHTARU-UHFFFAOYSA-N 366.343 2.210 0 40 FEAB CCOC(=O)c1s/c(=N/C(=O)c2ccc(C(=O)OC)cc2)n(C)c1C 18067264 BJKOOWUBEZACEZ-ISLYRVAYSA-N 362.407 2.099 0 40 FEAB Cc1ccc(-n2ncc3c2ncn2c(SCC(N)=O)nnc32)cc1Cl 2424099 SWZHHMNTJDDUCY-UHFFFAOYSA-N 373.829 2.002 0 40 FEAB COc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 40097258 BCJXHSHUPMRWQN-UHFFFAOYSA-N 363.439 2.267 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(CCc2ccc(O)cc2)CC1 40050467 YHKBRFVHBFOGGC-AWEZNQCLSA-N 359.470 2.414 0 40 FEAB O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc3nncn3c2)CC1 101682938 DXCIIKXHGSPBHZ-UHFFFAOYSA-N 365.393 2.076 0 40 FEAB O=C(O[C@@H]1CCCCC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 32776942 JRODCBOMXAEVIV-GXTWGEPZSA-N 371.480 2.204 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 32869346 JTGLTXRETXYCRY-BLLLJJGKSA-N 372.446 2.430 0 40 FEAB O=C(CNC(=O)NCc1ccccc1)NCc1ccc(-c2ccn[nH]2)cc1 32932401 NZMPHOALAQTFEA-UHFFFAOYSA-N 363.421 2.192 0 40 FEAB CCCn1nc(C(=O)NCc2csc(Br)c2)ccc1=O 41988941 XPVFDXHNAAMNPE-UHFFFAOYSA-N 356.245 2.407 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCC[C@@H]4C)cnc32)cc1 1330688 XPJYKFZNZRJLOB-HNNXBMFYSA-N 365.437 2.292 0 40 FEAB CC(=O)[C@@H](C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 22845288 ALASMCONGFFCCC-GFCCVEGCSA-N 372.402 2.382 0 40 FEAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCc2ccccc21 23045430 VGUJEWJTEMJPDL-ZDUSSCGKSA-N 352.390 2.310 0 40 FEAB CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4553926 DREQGJGBTRZXPD-MHGIMSBQSA-N 354.406 2.249 0 40 FEAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6946834 PPELCYVXSNSUGI-SNVBAGLBSA-N 353.831 2.427 0 40 FEAB COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)c1 54979550 UZDGFVDHISNDCE-KRWDZBQOSA-N 374.462 2.256 0 40 FEAB C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 12574912 JZVOOFFPBFPSBN-GFCCVEGCSA-N 372.450 2.020 0 40 FEAB O=C(c1n[nH]cc1Br)N1CCN(Cc2ccc(F)cc2)CC1 28234416 IDYPNVSBKSWMKW-UHFFFAOYSA-N 367.222 2.269 0 40 FEAB O=C(CCc1ccco1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 25446856 BEFOQBBZIFKCOV-UHFFFAOYSA-N 368.480 2.375 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1 57614880 NEPBAPQDQJOVDO-INIZCTEOSA-N 369.465 2.228 0 40 FEAB COc1ccc(NC(=O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 12681770 QRKUNXBKFMBLKK-UHFFFAOYSA-N 369.299 2.224 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)NCCc4ccccc4)CC3)nn12 20734392 PMIMOGYVHSIPPA-UHFFFAOYSA-N 364.453 2.008 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NCCn2cnc3ccccc32)cs1 58297308 UTWDHDDZWCWYQX-UHFFFAOYSA-N 371.466 2.446 0 40 FEAB O=C(COc1cccc(F)c1)NC[C@H](c1cccs1)N1CCOCC1 12805593 BPEXOLBYXBGVNI-MRXNPFEDSA-N 364.442 2.456 0 40 FEAB CCN(CC)CCNS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 36358232 SAQYCTXFGAQQOK-UHFFFAOYSA-N 368.478 2.248 0 40 FEAB Cc1nn(C)c2ncc(S(=O)(=O)N(C)Cc3nc4ccccc4o3)cc12 95461727 WKLJZGHHLIJFJO-UHFFFAOYSA-N 371.422 2.239 0 40 FEAB O=C(CNC(=O)c1ccccc1F)OCC(=O)c1c[nH]c2ccccc12 3484547 OZIOKSGPACWEKC-UHFFFAOYSA-N 354.337 2.463 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@H]1COc2ccccc2O1 9114446 YRVDVHPYPISSBO-KRWDZBQOSA-N 366.417 2.312 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)CN(C)C 49946339 FMTIGMZROUNYIB-MRXNPFEDSA-N 369.456 2.423 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)NC[C@@H](O)c1ccccc1F 96006804 VMOWULNZQHOHEJ-OAHLLOKOSA-N 350.371 2.120 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6922255 UDFXBWWVRFDIQP-WRWORJQWSA-N 372.269 2.315 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCCC1 80331041 LEXIHVYSGHEHGM-CQSZACIVSA-N 364.877 2.183 0 40 FEAB CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 8319418 IGTPXBRFPKCAIT-ZDUSSCGKSA-N 352.866 2.085 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 9668570 BXKAYZBLBDUJPS-INIZCTEOSA-N 360.479 2.445 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H](c1ccccc1)n1cnnn1 72403069 GCCSCGDQHOGEGX-KRWDZBQOSA-N 351.366 2.063 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408608752 SCGOSXOIBBGGOB-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 22231097 RIBFZGRMKKNKSM-UHFFFAOYSA-N 352.438 2.444 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218427014 DKHUZSXPMRLOQT-IRXDYDNUSA-N 364.898 2.492 0 40 FEAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NC1CCCC1 409161315 NGLOLHPOCSZAFN-UHFFFAOYSA-N 351.255 2.331 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccn2c(O)nnc12)c1ccc(Cl)cc1 540961228 KFQJWTAEZPPYBV-CQSZACIVSA-N 359.817 2.121 0 40 FEAB CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H](/C=C/C(=O)O)[C@@](C)(O)[C@@H]1O 72320312 OZESVNMBZAEFCX-JAUSLUJISA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro COC[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccco1 553761866 OVBSUKACJZKBTD-VIFPVBQESA-N 350.318 2.359 0 40 FEAB O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccnc1 32501875 BKIWWJKMGSEGNQ-UHFFFAOYSA-N 351.410 2.016 0 40 FEAB CCS(=O)(=O)NC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 123664745 QFYFPABSRHKOMG-UHFFFAOYSA-N 352.500 2.285 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(c3ccccc3)CC2)C1 40088474 PWLAJQVCOAIYMZ-MRXNPFEDSA-N 364.511 2.286 0 40 FEAB CCOc1ccccc1CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222420158 GTNHWCZHTQTXPI-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1cc(C)ccc1OC 226055989 WQFJKEGTHHZNMW-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB CCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)OC)n1 41156441 PKHBAZBMUFBWCP-SECBINFHSA-N 363.892 2.267 0 40 FEAB O=C(O)c1cn([C@H]2CCCN(C(=O)[C@H]3CCc4cc(F)ccc43)C2)nn1 572782362 TUTRHIPJWBVLLF-ZFWWWQNUSA-N 358.373 2.009 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)[C@@H]1C(=O)O 573110569 RKNICZKEQRNYMH-WFASDCNBSA-N 361.423 2.017 0 40 FEAB CCc1nn2c(ncc3c(=O)n(NC(N)=O)ccc32)c1-c1ccc(F)cc1 40396843 QIDPGXIHSLZRSV-UHFFFAOYSA-N 366.356 2.035 0 40 FEAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 9537864 GBOZCKAVOXNZKC-CQSZACIVSA-N 369.824 2.404 0 40 FEAB Cc1ccccc1C(=O)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240903 NEJNDRJWFQTSHC-GOSISDBHSA-N 356.466 2.486 0 40 FEAB O=C(N[C@@H]1COCCC12CCN(Cc1cccnc1)CC2)c1ccco1 96214937 BCTSLJFQGARRLU-GOSISDBHSA-N 355.438 2.476 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N(C)CCN(C)C)[C@@H]31)O2 248009347 PAYTYWAMHPSKFB-WBHLOVLFSA-N 356.466 2.375 0 40 FEAB CC(C)NC(=O)OC1CN(c2cc(-c3ccccc3)nc3ncnn23)C1 585083244 FZVGBFKZDYZXRS-UHFFFAOYSA-N 352.398 2.115 0 40 FEAB COCC(=O)N1CCC2(CC1)CN(Cc1cccs1)C[C@@H]2COC 247885331 RIFQRWSPYWEAEH-OAHLLOKOSA-N 352.500 2.082 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@@H]1CCc2nncn2C1 585124251 UXCXGHSKXGFESD-LLVKDONJSA-N 361.808 2.473 0 40 FEAB CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CCC[C@@H](O)[C@@H]1O 257303154 SFZUDPPOOILBEB-SFHLNBCPSA-N 374.456 2.392 0 40 FEAB Cc1cccc2nc(C(=O)NCc3ccnc([C@@H]4CCCOC4)n3)cn12 257276265 NTARWJLXJSOCDL-CQSZACIVSA-N 351.410 2.257 0 40 FEAB Cc1ncsc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257293994 QRZDPURIEMDWBX-CQSZACIVSA-N 356.451 2.431 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 257306278 STPNOPHIIGTGMQ-AWEZNQCLSA-N 370.457 2.450 0 40 FEAB COc1cccc([C@@H](CNC(=O)N2CCC(C)(C(=O)O)CC2)OC)c1 626773704 RZRBVJXWISSKJF-OAHLLOKOSA-N 350.415 2.279 0 40 FEAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCC(F)(F)C2)C1 632571272 NAWHBUWUQPRYMV-UONOGXRCSA-N 366.474 2.378 0 40 FEAB O=C(CN1C(=O)CCc2ccccc21)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653330485 GDBSLEGKCSIKJK-IRXDYDNUSA-N 364.401 2.395 0 40 FEAB CC1(C)C(c2cc(NC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)n[nH]2)C1(C)C 646533592 UFPRVZULCQWLTM-CVWILIBFSA-N 360.502 3.030 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575406004 WLTCOYHLYOMUIY-OAHLLOKOSA-N 358.369 2.379 0 40 FEAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cnccn1)C2 585106689 FKTVKVJBTHOGTM-FQEVSTJZSA-N 360.421 2.244 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2ccccc2OC)Cc2cccn2C1 585099084 JHMHLHTURUGVRV-QGZVFWFLSA-N 371.481 2.281 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cscn4)C3)cc2n1 12134589 LLMUPRHHWYAVET-LLVKDONJSA-N 357.439 2.474 0 40 FEAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)cc1 12143290 KMNDZKWEAGUKMK-RBUKOAKNSA-N 373.474 2.010 0 40 FEAB CO[C@H]1CCC[C@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145233 QXKWCKHQAWNXJX-HOCLYGCPSA-N 370.453 2.160 0 40 FEAB O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 12740013 QZFRVXFMPTYDOS-UHFFFAOYSA-N 372.368 2.414 0 40 FEAB CO[C@H]1Oc2ccccc2N([C@H](NC(C)=O)C(Cl)(Cl)Cl)C1=O 16320934 BAKMDWRJVROGQY-RYUDHWBXSA-N 367.616 2.217 0 40 FEAB O=C(CCn1cccn1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 19403438 XVNIVXWAAVABKN-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1OCc1ccccn1 19575296 GWESWVVAKDTQOU-NSISKUIASA-N 353.466 2.300 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(N)=O 19754737 RUCZKPPGGOKBKH-INIZCTEOSA-N 352.438 2.223 0 40 FEAB O=C(COCc1ccccc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390831198 QKIWAXQPJNNHMI-ZDUSSCGKSA-N 368.359 2.236 0 40 FEAB O=S(=O)(N[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1)C1CC1 1889104399 NIEBMSKQWZFSOL-QMMMGPOBSA-N 355.407 2.213 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)n1 1848353922 YZEPXBHTXSDNJL-CQSZACIVSA-N 356.357 2.325 0 40 FEAB CC(=O)c1c(C)cc(C)c(CN2CCN(C(=O)N3CCOCC3)CC2)c1C 24251635 NLDCLWSDXKZRBD-UHFFFAOYSA-N 373.497 2.384 0 40 FEAB O=C(C1CCOCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909060 QYLINEGFBOPNFA-IBGZPJMESA-N 351.418 2.375 0 40 FEAB COc1ccc(CNC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4479581 NKDGOSDMESQBRE-HNNXBMFYSA-N 369.421 2.309 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)C4CC4)C3)C2)cc1 2055835052 UCSPGDCVOKZQHX-IBGZPJMESA-N 357.410 2.181 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCN(C)CC2)cc1 22778414 PTSLJLVCAKADSV-HXUWFJFHSA-N 353.466 2.414 0 40 FEAB C[C@](O)(CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 206621887 MJDJNSSIVOQMDI-MRXNPFEDSA-N 370.327 2.347 0 40 FEAB COc1ccccc1-c1c(C)nn2c(NCCOCCO)cc(C)nc12 5348881 NVZPHEKPDIQSMD-UHFFFAOYSA-N 356.426 2.443 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cn2)C[C@@H](C)O1 30038037 GWGZXCJJBRHHJP-OKILXGFUSA-N 355.442 2.409 0 40 FEAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 101657801 UMDQKMSWEDOFHB-XIRDDKMYSA-N 355.438 2.493 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2ccc(F)cc2)cc1 21483199 CZEDMGBAJPZZPR-UHFFFAOYSA-N 351.399 2.410 0 40 FEAB O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCO2 21590810 ADNNSVFUKZUQHI-UHFFFAOYSA-N 351.314 2.297 0 40 FEAB CCOc1ncccc1CNC(=O)NCc1ccc(-n2ccnc2)nc1 32802680 KWIIWACGXOHFOI-UHFFFAOYSA-N 352.398 2.060 0 40 FEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nnnn1C1CC1 52798873 MTTUTUWONKJGTK-UHFFFAOYSA-N 368.363 2.276 0 40 FEAB CC(C)(C)c1noc(CCC(=O)NC2(C(=O)O)Cc3ccccc3C2)n1 95424513 XBBBCYAJXGMLLJ-UHFFFAOYSA-N 357.410 2.038 0 40 FEAB Cn1cc(C(N)=O)c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 95460343 QNPKVURGSDQKEW-UHFFFAOYSA-N 366.303 2.200 0 40 FEAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 8111066 JIADTMWZYYPNKB-UHFFFAOYSA-N 368.480 2.396 0 40 FEAB O=C1C[C@H](Nc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1F 55117906 ALHCFEAMPVCRKX-HNNXBMFYSA-N 356.353 2.337 0 40 FEAB O=C(CN1CCN(C(=O)Cc2cccs2)CC1)Nc1cccc(F)c1 35262633 MCPWBPFXEZPPKG-UHFFFAOYSA-N 361.442 2.213 0 40 FEAB CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 57088590 OHKMAFWVMCOEGZ-NSHDSACASA-N 363.476 2.427 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccncc3)ccc21 57280330 QJNZDJFLCRIHND-UHFFFAOYSA-N 359.451 2.204 0 40 FEAB Cc1cc(O)c(I)nc1I 59390621 SYVWEKCXZWOTKY-UHFFFAOYSA-N 360.920 2.305 0 40 FEAB CN(C)C(=O)COc1ccccc1CNC[C@@H]1COc2ccccc2C1 58165877 XJGRNPIMQNXQOB-MRXNPFEDSA-N 354.450 2.495 0 40 FEAB CC(C)[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N(C)C 58192222 GVLKSKLECONPFC-HNNXBMFYSA-N 371.528 2.071 0 40 FEAB Cc1c(NC(=O)CNCc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 58158141 WJQFHRNTCVRJHA-UHFFFAOYSA-N 368.412 2.352 0 40 FEAB Cc1cc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)no1 58202025 JLOAQRMVEBQKRP-UHFFFAOYSA-N 373.228 2.299 0 40 FEAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCCO1 27906436 XUKQJHQKSCEJKR-OIISXLGYSA-N 360.454 2.374 0 40 FEAB Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1C 3378645 MMZLRJOTGOFTDH-UHFFFAOYSA-N 351.450 2.382 0 40 FEAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccccc1 36593114 SWWISXXQUYYHAB-GOSISDBHSA-N 365.433 2.451 0 40 FEAB O=c1[nH]c(CSc2nnnn2-c2cccc(F)c2)nc2ccsc12 22255507 COUJMNQFBYJFNU-UHFFFAOYSA-N 360.399 2.392 0 40 FEAB CCOCCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O 3500262 FTHLFWPDFSSYJN-UHFFFAOYSA-N 363.483 2.440 0 40 FEAB Cc1nn(C)c2c1[C@H](c1cccc(F)c1)[C@@H](NC(=O)c1ccco1)C(=O)N2 12982013 LTDKOWUIUPUECX-JKSUJKDBSA-N 368.368 2.343 0 40 FEAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408591651 IXKCNYRYWKXUHQ-SFHVURJKSA-N 360.479 2.348 0 40 FEAB C[C@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1 64318948 BTPQGMZRILNRJQ-KSSFIOAISA-N 354.406 2.153 0 40 FEAB CC(C)C(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@@H]1CCCO1)n2C 13693776 PQRAYFSBTAZXHX-INIZCTEOSA-N 358.442 2.006 0 40 FEAB OCCOCCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 13861671 MRLUCXJOGOSJFL-UHFFFAOYSA-N 367.449 2.497 0 40 FEAB COCCNc1nnc(SCC(=O)N2CCc3ccccc32)s1 6428087 LGXWPLKWFRJNBZ-UHFFFAOYSA-N 350.469 2.278 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(F)cc1 14233509 SQLCVNSBLXTTCA-OAHLLOKOSA-N 363.410 2.322 0 40 FEAB O=C(O)CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 4689268 BESZCPDOQKPGFF-RUDMXATFSA-N 358.169 2.276 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2F)ccc1OC 23484500 XJJHSDUKTITJMQ-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc(C(C)=O)c1C 5898998 ISQJUZOILHJWDD-UHFFFAOYSA-N 368.440 2.285 0 40 FEAB O=C(NC1CCCC1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 67126428 VAMWDHZDDJFFPM-IRXDYDNUSA-N 353.422 2.319 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)CCc2ccc(F)cc2)cc1 7082337 IILGJJNQRTVNKW-UHFFFAOYSA-N 367.398 2.028 0 40 FEAB CC(C)(C)OC(=O)N[C@H](CSCNC(=O)c1ccccc1)C(=O)O 16033748 IXDAEBLENDHMQG-GFCCVEGCSA-N 354.428 2.085 0 40 FEAB Cc1[nH]c(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1CC(=O)O 20156498 VHYPYCYHFFZKAN-UHFFFAOYSA-N 362.691 2.134 0 40 FEAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 7940278 YFCZOGHKWSUCII-UHFFFAOYSA-N 373.434 2.122 0 40 FEAB Cn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2c1=O 8232122 CXCZKIBFXMTTJL-UHFFFAOYSA-N 362.389 2.078 0 40 FEAB COc1cc(C)ccc1OCC(=O)NS(=O)(=O)c1ccc(F)cc1F 69525661 QTTVTKHEALGMNB-UHFFFAOYSA-N 371.361 2.166 0 40 FEAB Cc1ccc(C)c([C@H](C)NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 18013670 KGUBHBNPFUQKLY-AWEZNQCLSA-N 371.462 2.219 0 40 FEAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2cccc(Cl)c2)n1 8881322 NMCOFGDSTQEXRA-UHFFFAOYSA-N 353.769 2.290 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@@H]1C2 306124908 CBYLNNKMCSGWQL-JKSUJKDBSA-N 374.448 2.230 0 40 FEAB O=C(O)COc1ccccc1OCCOc1ccccc1OCC(=O)O 39644669 SHRJMADEYNIOJP-UHFFFAOYSA-N 362.334 2.071 0 40 FEAB COc1cc2[nH]c(=NCC3(N(C)C)CCCCC3)nc(N)c2cc1OC 521919243 SSNNHUGBSPSLEF-UHFFFAOYSA-N 359.474 2.328 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 33782883 ZYHPRSIQYLINQT-MHWRWJLKSA-N 353.378 2.160 0 40 FEAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1 39981642 OZNQGFXYAQKREM-UHFFFAOYSA-N 356.350 2.399 0 40 FEAB Cn1nc(C2CC2)cc1C(=O)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 72337353 UOFRJUWNFFKQGE-RAKKMVLPSA-N 370.428 2.486 0 40 FEAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123405775 SENSDRYGCFGXOG-FJSJTVQLSA-N 352.515 2.473 0 40 FEAB CN1CCN(Cc2cnc(N3CCOCC3)s2)[C@H](c2ccccc2)C1 36751991 BFUKLFFOAKQICV-SFHVURJKSA-N 358.511 2.468 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225193506 ZCCOTIOUZSLDJE-KBPBESRZSA-N 356.488 2.401 0 40 FEAB COc1ccc(CCNC(=O)Nc2cccc(-n3nnnc3C)c2)cc1 45690021 MEVOCDGBAYOABD-UHFFFAOYSA-N 352.398 2.344 0 40 FEAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(CC3CC3)C[C@H]21 514289383 JJGKOOKVXMXHMQ-MJGOQNOKSA-N 352.438 2.014 0 40 FEAB biogenic,in-vitro O=C(NCC[C@H](O)c1cccs1)C(=O)NCc1ccccc1Cl 77115548 OSUUDECSARCNNH-ZDUSSCGKSA-N 352.843 2.258 0 40 FEAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1 226276441 WGHAWQMWBJNYRR-UHFFFAOYSA-N 360.332 2.225 0 40 FEAB O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96043030 WVTWYKOOEQVTLY-RRQGHBQHSA-N 350.484 2.023 0 40 FEAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CCN(C(=O)N(C)C)C3)n2c1 96156282 OCLLSTYXMQNRMO-ZDUSSCGKSA-N 372.473 2.119 0 40 FEAB O=C(c1cccnc1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96075443 YAPXGIYGMLBNKV-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB COC[C@H]1CC2(CCN(Cc3cccnc3)CC2)CN1c1ncccn1 96051811 UJRDFGRZMSJMMJ-GOSISDBHSA-N 353.470 2.379 0 40 FEAB Cc1ccc(-n2nc(C(=O)N3CCNC[C@H]3c3nccn3C)cc2C)cc1 584715364 JBEDDEHGMVJHMU-SFHVURJKSA-N 364.453 2.009 0 40 FEAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]1CCCS1(=O)=O 580900076 GUJOEWPQBZYBGZ-INIZCTEOSA-N 364.467 2.183 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96107346 MAWZTCSVIANSCH-APWZRJJASA-N 357.410 2.359 0 40 FEAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96253337 VOTBOYYEHXFIFG-CEXWTWQISA-N 353.422 2.318 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCCN(Cc3cncn3C)C2)C1 96223488 ZRMVIBAWNBUBOS-ICSRJNTNSA-N 355.486 2.071 0 40 FEAB COCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 257200934 AFJZMNLQGVMKDC-UHFFFAOYSA-N 355.442 2.433 0 40 FEAB Cc1cc2nc([C@H]3CCCCN3C(=O)CCc3ccnn3C)ccn2n1 257220065 DJJQGZLPZNLRAA-QGZVFWFLSA-N 352.442 2.458 0 40 FEAB C[C@H]1CCCN(C(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 260800740 VYGKQXNKCZVEOQ-RYUDHWBXSA-N 360.426 2.378 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)on1 270523664 SAAQIDUJAMSGJK-SFHVURJKSA-N 355.438 2.445 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(C(=O)c2csc(-c3cnccn3)n2)C1 600170491 FLNIHWIVXGJYFB-GFCCVEGCSA-N 369.454 2.231 0 40 FEAB CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CC1CC1 612740199 ZPSVIVWYDSZPRT-MRXNPFEDSA-N 361.490 2.079 0 40 FEAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC(=O)NC1CCCC1 35361634 DMEAPLKUVICVNP-UHFFFAOYSA-N 364.877 2.230 0 40 FEAB O=C(NCCS(=O)(=O)c1ccccc1)c1cncn1-c1ccccc1 47422164 PDWJMLCMJYUXPI-UHFFFAOYSA-N 355.419 2.076 0 40 FEAB O=C(NC1CCCCC1)[C@H]1C=CCN1S(=O)(=O)c1ccc(F)cc1 12115034 VOCGASYVTHUEFF-MRXNPFEDSA-N 352.431 2.204 0 40 FEAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccccn3)CC2)n1 12142937 MDMGHYNYTACVLI-UHFFFAOYSA-N 367.453 2.036 0 40 FEAB CSc1ncc2c(=O)n(CC(=O)Nc3c(C)cccc3C)cnc2n1 12462941 SWNUKQWCSCCMDL-UHFFFAOYSA-N 355.423 2.164 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccnc3ccccc13)C2 19376101 YYRGHLNPYTUDRR-UHFFFAOYSA-N 361.449 2.477 0 40 FEAB CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 19453123 KVIDTCNZICWQNQ-MRXNPFEDSA-N 367.449 2.072 0 40 FEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(C)=O)C3)nc2C)c1 19757910 YEVDQFHVIVZGNG-INIZCTEOSA-N 368.437 2.059 0 40 FEAB CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930249 PMFPKHPDDPFGIX-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB CCCO[C@@H]1CCCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CC1 654636791 AOIOLCFSDFYSNT-KGLIPLIRSA-N 351.451 2.147 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)c1 1888857166 YYOHVUIIOARHPY-TXEJJXNPSA-N 362.430 2.208 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 22086362 NMWDVLGNFBMQGS-HNNXBMFYSA-N 374.485 2.207 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)c1cccc(C(F)(F)F)c1 24226765 UTQZTCGKQXAYKG-AWEZNQCLSA-N 358.341 2.316 0 40 FEAB CCOC(=O)N1CCC(NC(=O)Cn2c(CC)nc3ccccc32)CC1 24471879 LRRWQLDASSINPI-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB Cc1noc(CN2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 2087018102 ZACSKRTVVSKNSA-UHFFFAOYSA-N 369.473 2.431 0 40 FEAB COc1cc(N2CCN(c3ncnc4c(C)csc34)CC2=O)ccn1 2087043825 CXWZCBQGXVGRMH-UHFFFAOYSA-N 355.423 2.257 0 40 FEAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ncnc(C)c4C)C[C@H]3C2)cs1 1565542811 UVDMEUPCOBRQOB-HUUCEWRRSA-N 357.483 2.062 0 40 FEAB O=C(NCCc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 12471802 RXUPJMFVOMGDGU-UHFFFAOYSA-N 369.396 2.250 0 40 FEAB CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 13850619 UTPLFMDVKKTVBR-UHFFFAOYSA-N 368.842 2.438 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccc(F)cc1 2055738818 SMFVMIRAKNUCFH-AWEZNQCLSA-N 357.385 2.337 0 40 FEAB COc1ccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)cc1 20488944 WNENSEBQULQGLB-UHFFFAOYSA-N 354.337 2.030 0 40 FEAB CCc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)cc1 1775976329 YURQQOJKUHRMTD-CALCHBBNSA-N 372.494 2.104 0 40 FEAB O=C1[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]2C(=O)N1Cc1ccccc1 2086875528 WSLPFRMBBXMHRX-HZPDHXFCSA-N 360.417 2.180 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1 217892370 SEGXVVUKDLJZJI-UHFFFAOYSA-N 352.441 2.195 0 40 FEAB Cn1cccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c1=O 43983216 FKMSVGVUGAVABF-UHFFFAOYSA-N 369.421 2.026 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1)C2 50022212 HKVMAXVZEFSZHV-IIAWOOMASA-N 361.438 2.294 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2ccoc2)C(C)C)c1 40105376 DSBLRKHYSULMHG-QGZVFWFLSA-N 360.410 2.368 0 40 FEAB O=S(=O)(c1ccc(CN(C[C@@H]2CCOC2)C2CC2)o1)N1CCCC1 40120006 PNAIJEIBBRUYTN-AWEZNQCLSA-N 354.472 2.065 0 40 FEAB O=C(Cc1n[nH]c2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1 50583424 HECAHMIULCEZQC-UHFFFAOYSA-N 364.405 2.217 0 40 FEAB Nc1nc(Cn2cnc3sccc3c2=O)nc(Nc2ccccc2)n1 31641214 NEEPJRNXQYDBQG-UHFFFAOYSA-N 351.395 2.017 0 40 FEAB O=c1c(NCc2ccccc2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101695753 AXODWYZYZOXQOE-UHFFFAOYSA-N 365.408 2.360 0 40 FEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc2c1OCO2 608010 MSOAVHHAZCMHDI-INIZCTEOSA-N 359.378 2.386 0 40 FEAB in-man O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(F)cc1 8991833 PWPUJACCKFYWIT-UHFFFAOYSA-N 353.353 2.499 0 40 FEAB COc1cc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc(OC)c1OC 3360219 ZUXYTQJCEGAMTP-UHFFFAOYSA-N 357.370 2.019 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3549088 IJKZNSBUZOPCSV-DIFFPNOSSA-N 351.834 2.268 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 4317009 WSBFWAPYUNHRHX-UHFFFAOYSA-N 373.434 2.166 0 40 FEAB O=C(COc1ccc(F)cc1Cl)N1CCN(C[C@H]2CCCO2)CC1 23640528 JVQMYSITIYMMNO-CQSZACIVSA-N 356.825 2.181 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(C)C 47651574 XOMXIHIMEVOKPF-SSDOTTSWSA-N 358.769 2.114 0 40 FEAB Cc1ccc(NC(=O)CNC2CCCCCC2)cc1S(=O)(=O)N(C)C 7654169 LDVMVNBZYHMDKF-UHFFFAOYSA-N 367.515 2.496 0 40 FEAB CN1CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2ccccc21 106169833 AEGKIAYNLUFAJZ-JKSUJKDBSA-N 370.497 2.310 0 40 FEAB CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1 106142566 ZBTVJBVJVKUMMH-GPMSIDNRSA-N 371.485 2.017 0 40 FEAB Cc1nc(-c2ccc(CCNC(=O)CN3CSCC3=O)cc2)cs1 24929145 GCVCNAREJPDJLL-UHFFFAOYSA-N 361.492 2.310 0 40 FEAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cnn1C 103507378 GLOLZFARZHROEH-SJLPKXTDSA-N 360.373 2.174 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C(=O)O 25369161 YIXBFCMCCDJITE-UHFFFAOYSA-N 362.407 2.196 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)NC(=O)N[C@@H]1C 26083176 FPEQOLSQMOXVGC-JMSVASOKSA-N 364.442 2.287 0 40 FEAB Cc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3240948 PFABILFYZUFBAX-UHFFFAOYSA-N 361.419 2.285 0 40 FEAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 57471838 HXULQYFXBJPZGW-LBPRGKRZSA-N 357.362 2.458 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCSc3ccccc3)ccc21 10029492 KXUFPWIBCJTIAS-UHFFFAOYSA-N 369.446 2.232 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)nc1 48247834 DHQXMKMFALTVOA-UHFFFAOYSA-N 350.378 2.011 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCn2c(=O)n(C)c3ccccc32)C1 48269607 IMXJAYSVWZVFDI-IAGOWNOFSA-N 372.513 2.214 0 40 FEAB CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(=O)c2cc(Cl)ccc21 22234929 XTWFXUMNPBGPPN-UHFFFAOYSA-N 361.829 2.012 0 40 FEAB CC(C)(C(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccccc1 12780146 GKTVIUGBSHYVQT-UHFFFAOYSA-N 367.497 2.083 0 40 FEAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1nccs1 58264419 WMWQRBJSTFVRMB-LBPRGKRZSA-N 354.476 2.461 0 40 FEAB CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 58216299 ARGYFVLMHPKKFG-HNNXBMFYSA-N 366.531 2.128 0 40 FEAB C[C@H](C(=O)Nc1nccs1)N1CCN(C(=O)CCc2ccccc2)CC1 58251019 QZPMRYNMJQTXCE-OAHLLOKOSA-N 372.494 2.247 0 40 FEAB Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3ccccn3)nc2s1 44920758 SZPTXWSKZRMECQ-UHFFFAOYSA-N 360.464 2.238 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)C1 57731340 IFZXSPTWBOKJQQ-VXGBXAGGSA-N 373.844 2.202 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)NCCCn2nc(C)cc2C)CC1=O 45476782 BMVSPAMYRDGTEA-MRXNPFEDSA-N 370.453 2.068 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1 48355214 BWLKVUFMWBUITA-UHFFFAOYSA-N 357.391 2.460 0 40 FEAB COc1cccc(COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1OC 12898967 KVIYMWVYCPFIIF-AWEZNQCLSA-N 359.378 2.389 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 3431798 QXXVLUHZNFQYLN-LLVKDONJSA-N 358.394 2.241 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(F)cc1Cl 3449907 SYRNFNRNQFBDNQ-UHFFFAOYSA-N 356.762 2.435 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3459908 JWNIDZGFIHZOTA-HXUWFJFHSA-N 365.389 2.295 0 40 FEAB O=C(Oc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3551486 QRIUMVFYBLFJHC-UHFFFAOYSA-N 365.382 2.066 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 12980565 DQLZNUJAHDWVKX-UHFFFAOYSA-N 367.405 2.356 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CCCn2nnc3ccccc3c2=O)c1 9047596 XAGOTNXDTKCCBZ-UHFFFAOYSA-N 365.393 2.169 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 6078962 GSOAIPWUJGFXHT-CXAGYDPISA-N 368.437 2.032 0 40 FEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1F 9119168 WYBWYZZTZIYOCI-UHFFFAOYSA-N 361.398 2.359 0 40 FEAB O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)C1CC1)Nc1ccc(F)cc1 13856445 VTGFUTRTGVMPLO-YESZJQIVSA-N 373.428 2.203 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C2=O 4514982 CXEMGVDKIGPLAP-HXPMCKFVSA-N 358.394 2.141 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 84705834 YDYPYIMOWSUMNZ-JHJVBQTASA-N 352.406 2.073 0 40 FEAB CC(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 84752812 XTWNGZCESBNMAG-HKUYNNGSSA-N 365.433 2.176 0 40 FEAB CC(C)CN(C(=S)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 7678104 PQMVCTPKELJCIF-INIZCTEOSA-N 354.541 2.249 0 40 FEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCCn2nc(C)nc21 83740535 XNZVOZWOPVGEFZ-HUUCEWRRSA-N 371.441 2.293 0 40 FEAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnnn3C3CC3)ccc21 16550303 PCKFWSIKECWUDS-JTQLQIEISA-N 357.439 2.281 0 40 FEAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 8776994 WMXDKIUZDMTJSD-LBPRGKRZSA-N 352.847 2.175 0 40 FEAB CN(CCOc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 72284203 YPQGZVXJLNWKKU-HKUYNNGSSA-N 353.422 2.138 0 40 FEAB O=C(Cn1cnccc1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 75104941 UKRMJOXOUCLFLY-CYBMUJFWSA-N 354.391 2.276 0 40 FEAB Cc1cnn(C2CN(C(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)C2)c1 89702463 IARONEBMVVCCOP-MRXNPFEDSA-N 361.490 2.043 0 40 FEAB CCCN1CCN(C(=O)CSc2nc(Cc3ccccc3)n[nH]2)CC1 25854899 HGTLPPRNYRLTMY-UHFFFAOYSA-N 359.499 2.042 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2F)cc1 67172802 YMOVIFFWZCLIBX-UHFFFAOYSA-N 365.382 2.415 0 40 FEAB O=C(c1ccc2ncccc2c1)N1C[C@H]2OC[C@@H](CN3CCCC3)[C@H]2C1 306144912 ZRYYXWKIMLYJAB-QWFCFKBJSA-N 351.450 2.418 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)cc1 306134142 NEFYYQJKVRKOET-MRXNPFEDSA-N 374.462 2.249 0 40 FEAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(Cl)c1 32093358 ODKWBNWSRUGGKO-ZDUSSCGKSA-N 371.824 2.448 0 40 FEAB COc1ccc([C@@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C(=O)O)cc1F 565364361 QDXHAOZJULPGJD-MGPLVRAMSA-N 361.373 2.169 0 40 FEAB C[C@@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)N1CCCCC1 72390303 YTDSIMNNTIKVIH-ZDUSSCGKSA-N 365.861 2.056 0 40 FEAB CSc1nccn1-c1ccc(C(=O)NCCCN2CCOCC2)cc1 42765636 LZUFGRRLXWVUQR-UHFFFAOYSA-N 360.483 2.046 0 40 FEAB OCCNc1nc(Nc2ccc(Br)cc2)nc2nccnc12 32097309 FLYOJOIJJSIDLQ-UHFFFAOYSA-N 361.203 2.330 0 40 FEAB CC(C)Cn1nccc1C(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 567928512 ATVSOLUTCQDBRQ-GOSISDBHSA-N 354.454 2.113 0 40 FEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H](C)C2)c1=O 44840482 ZZMFOJGRFMNWIB-CABCVRRESA-N 357.454 2.393 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1 222565817 LWWSVBWHHHWEIW-UHFFFAOYSA-N 362.383 2.212 0 40 FEAB COc1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220080238 LTISGKCGMIIEBS-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB O=C(N1CC[C@H](Nc2ccc3nccn3n2)C1)C1(c2ccccc2F)CC1 576741716 UGNDUVONFUJDLS-AWEZNQCLSA-N 365.412 2.613 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1 225410518 LDWBEONJNCTCLI-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB Cc1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 224282985 NMZQSGNNYFYGQF-HDICACEKSA-N 370.449 2.140 0 40 FEAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(N2CCOCC2)nn1 75172729 COJJLQDUTWVXFF-UHFFFAOYSA-N 357.395 2.282 0 40 FEAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)CC2 225789457 VGTYAMRBSAOUHB-ZDUSSCGKSA-N 351.328 2.086 0 40 FEAB Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCN(C)CC1 226260115 HCADMQZCXBGKGQ-UHFFFAOYSA-N 354.454 2.347 0 40 FEAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1csc(-c3ccccc3)n1)CC2 225787005 PPKRJCKIWPKDJP-CQSZACIVSA-N 366.446 2.191 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccccc1C 222411886 AHOXZZUUWXAPPA-SGVZTEBKSA-N 350.418 2.359 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240878 OVYNADDJONMRTK-SFHVURJKSA-N 374.456 2.246 0 40 FEAB Cc1nc2ccnn2cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 579078592 YWNQQJKFDYAJLP-MRXNPFEDSA-N 365.393 2.408 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107854 WPMRETWTOFRYEC-KUHUBIRLSA-N 355.394 2.400 0 40 FEAB CS(=O)(=O)c1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cc1 96112711 JWYHWZJSILDRJK-HNNXBMFYSA-N 371.462 2.301 0 40 FEAB biogenic,in-vitro COc1ccc(CC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1 96098586 YNZKASYXTOHJDE-UHFFFAOYSA-N 356.426 2.120 0 40 FEAB O=C(NC1CC1)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96266428 GTAZFQOIXPBIOF-UHFFFAOYSA-N 367.453 2.084 0 40 FEAB O=C(c1cnn2c(-c3cccs3)ccnc12)N1CCNC[C@H]1C(F)F 585089260 PLMGWFPHQOALTA-LBPRGKRZSA-N 363.393 2.137 0 40 FEAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)COc1ccccc1)CC2 96044503 FRQKMLTXCPWFSA-SFHVURJKSA-N 355.438 2.352 0 40 FEAB COC[C@@H]1CN(C(=O)COc2ccccc2)Cc2ncn(CC3CC3)c21 96045090 QWONNGWDOTYNDZ-INIZCTEOSA-N 355.438 2.444 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96159418 ARICSILVVVMTPF-HXUWFJFHSA-N 350.422 2.050 0 40 FEAB CCOCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@@H]2COC 247909514 YBXMTGKOSOTWJI-QGZVFWFLSA-N 366.527 2.472 0 40 FEAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2ccn(C)n2)n1 257210076 BTAUWQQRWNOWPW-OAHLLOKOSA-N 352.398 2.459 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2ccc(C)nc2O)n1 257290983 QFCLROVVMAOUNM-QGZVFWFLSA-N 354.410 2.104 0 40 FEAB Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)[nH]n1 257307708 SZXKVNACSBWPCZ-AWEZNQCLSA-N 371.489 2.079 0 40 FEAB Cn1cc(CN2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 257240296 HSXIKYKJVFWQGE-KRWDZBQOSA-N 363.425 2.195 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1cc(-c2cncc(C(=O)O)c2)nc(C)n1 257261143 LFXPJMKQPBZELT-KRWDZBQOSA-N 370.409 2.245 0 40 FEAB CCc1nn(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)O)c1 280923912 HPGNWZCGXUGTQT-UHFFFAOYSA-N 357.819 2.443 0 40 FEAB Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cn1 618929938 NLFQJCQQUHODGW-RDJZCZTQSA-N 367.453 2.305 0 40 FEAB CO[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)C[C@H]1c1cnn[nH]1 622166546 NNZLUTNTRQSKFI-DOTOQJQBSA-N 358.417 2.298 0 40 FEAB COc1ccccc1CNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 36593790 CVGLWBPAYIIFPT-MRXNPFEDSA-N 367.405 2.492 0 40 FEAB biogenic Cn1cc(O[C@@H]2CN(Cc3cccc(-c4cccnc4)c3)C[C@H]2O)cn1 628376047 BCASZYLMYPJOQQ-WOJBJXKFSA-N 350.422 2.106 0 40 FEAB COc1ccccc1[C@H]1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 654639925 XYYVSUOQHPABAR-XJKSGUPXSA-N 371.441 2.364 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)NC[C@H]2CCC3(CCCC3)O2)c1 656182139 QDMYSXBIFZTFKX-OAHLLOKOSA-N 353.440 2.296 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)N[C@H](CCc2ccccc2)c2ccccn2)CCO1 635521714 YXAUOUUAWVMOQS-MSOLQXFVSA-N 369.421 2.251 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)cc3cccnc23)cc1 1191611511 GZFJKADTZIUIBG-UHFFFAOYSA-N 371.418 2.404 0 40 FEAB CN(Cc1nnc2n1CCOCC2)C(=O)Nc1ncc(C(C)(C)C)s1 1615548237 IIDKYPLVUUOTOY-UHFFFAOYSA-N 364.475 2.269 0 40 FEAB COC(=O)N1CCC(CNC(=O)c2cncc(Br)c2)CC1 96120356 ZJUYKMGWGONTCL-UHFFFAOYSA-N 356.220 2.052 0 40 FEAB CCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)c3ccccc3)nc12 96321850 XSLZZRNFTLHLDE-UHFFFAOYSA-N 368.418 2.165 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 585103122 RFIJWSUENJLFKS-MRXNPFEDSA-N 374.462 2.330 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1 585099158 QTRVBKMIOWBFTP-SFHVURJKSA-N 371.481 2.281 0 40 FEAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 585108254 HZKXWBCCEZLPQU-ARFHVFGLSA-N 374.466 2.078 0 40 FEAB CN1CCC(c2ncc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)[nH]2)CC1 685942778 VSDLVAAZMPZAAJ-FUHWJXTLSA-N 354.454 2.167 0 40 FEAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@H]1CCCS1(=O)=O 5812080 SCNKRRYBFZWKTM-SNVBAGLBSA-N 369.748 2.444 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1C(=O)NC1CCCCC1 13565356 VEXWLGRHVVMYEE-MRXNPFEDSA-N 371.437 2.314 0 40 FEAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)C2CCCC2)CC1 19289046 ZBBFXVVLPIGCBZ-UHFFFAOYSA-N 353.470 2.317 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCC2CCOCC2)n1 19457474 RHJVSCBSZDJCKG-LLVKDONJSA-N 351.838 2.262 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(Cl)cc2)C1=O 3369262 AIUNXKPTRMWUNE-UHFFFAOYSA-N 366.801 2.177 0 40 FEAB CN(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 4351886 OVIVZGCHKISFII-UHFFFAOYSA-N 366.373 2.160 0 40 FEAB C[C@@H](NC(=O)CSc1nc(N)cc(N)n1)C12CC3CC(CC(C3)C1)C2 4894095 KSIYQTPXTUXXOS-VALILCMLSA-N 361.515 2.454 0 40 FEAB O=C(N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1)C1(c2ccc(F)cc2)CC1 1888859995 KUOFFPHVOYKBPT-GASCZTMLSA-N 352.413 2.242 0 40 FEAB Cc1cc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)ncn1 1888881909 MQCMWYRFRWEVOA-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB O=S(=O)(N[C@H]1CCCN(Cc2cccc(Br)c2)C1)C1CC1 1889139058 JXKPCHKGCAKXCO-AWEZNQCLSA-N 373.316 2.495 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(c4nc(C5CC5)ns4)CC3)nn2)n1 1889151910 GVXZMESCPYCTFS-UHFFFAOYSA-N 368.470 2.026 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)N3CC(Oc4cccnc4)C3)CC2=O)cc1 238830064 FRRISNSDGADACU-OAHLLOKOSA-N 351.406 2.033 0 40 FEAB Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)cn1 2056224339 YUEVNWWLENUCOW-HDICACEKSA-N 351.454 2.164 0 40 FEAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(Cc3ccccc3)C2)C1 2056226069 JJJPTQJCTASQRC-INIZCTEOSA-N 355.360 2.476 0 40 FEAB Cc1nc(C(=O)N2CCOC[C@]3(C[C@H](CN(C)C(C)C)CO3)C2)cs1 1565548010 WDXHSXYIIFMXHX-QAPCUYQASA-N 367.515 2.039 0 40 FEAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)C1CC(F)(F)C1)C2 1565554012 OEBGMUNXZJODJO-UHFFFAOYSA-N 367.396 2.254 0 40 FEAB COc1cccc(C(=O)NC2CN(c3ncnc4ccsc34)C2)c1OC 1775975612 KPSNVBMGLLQMLN-UHFFFAOYSA-N 370.434 2.327 0 40 FEAB Cc1cc(C)nc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1 585594269 VKOJKJPNNAAHHG-UHFFFAOYSA-N 364.457 2.124 0 40 FEAB O=C1C[C@H](c2nc(-c3ccccn3)no2)CN1c1ccc2c(c1)OCO2 12416020 YQJSRJIZLRYWCG-NSHDSACASA-N 350.334 2.381 0 40 FEAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ncn(C)c1Cl 40071339 XKWDCCJKUGTQFG-UHFFFAOYSA-N 361.832 2.294 0 40 FEAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NCCC1=CCCCC1 30587943 QJMHWCNRCYUCFX-UHFFFAOYSA-N 363.483 2.241 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2OCC)C1 40121700 OXZDQMMFZDAKMC-CQSZACIVSA-N 350.415 2.201 0 40 FEAB CN1CCC(N2CCC(NC(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 50801548 VRMXKQHZVTXWIP-UHFFFAOYSA-N 367.497 2.161 0 40 FEAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N(CC)c1ccccc1C 32769745 UTZVWAAZUZJIFU-YVLHZVERSA-N 362.451 2.328 0 40 FEAB CN(C)C(=O)CSc1nnc(Cc2ccccc2)n1C[C@@H]1CCCO1 904449 WJAPAWGFPQYZHA-HNNXBMFYSA-N 360.483 2.228 0 40 FEAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 23147663 MNCDCLFAJYSODU-GOSISDBHSA-N 373.403 2.386 0 40 FEAB COc1cn(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1=O 61718699 NDXXKZOCVVJWSZ-UHFFFAOYSA-N 361.829 2.010 0 40 FEAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc(OC(C)C)c1 6320452 LFLXYZKIGICJJJ-UHFFFAOYSA-N 365.484 2.354 0 40 FEAB COc1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)cc1OC 6326311 MSZYPUVVBISFEM-UHFFFAOYSA-N 373.438 2.489 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCCC1 6584601 PTCTZXKWBSHBNG-UHFFFAOYSA-N 352.500 2.330 0 40 FEAB COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 8476147 GDHKHVFLWQMPCU-UHFFFAOYSA-N 366.483 2.352 0 40 FEAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 8667543 RYSFVAYFJNQOBY-CYBMUJFWSA-N 372.421 2.053 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)[C@H](Cc1ccccc1)n1cnnn1 24603619 MLEDGYYCCVVNGW-IBGZPJMESA-N 360.421 2.297 0 40 FEAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N(C)c1ccccc1 24760568 JUMMNROYRXVDLM-LSDHHAIUSA-N 370.405 2.223 0 40 FEAB CS(=O)(=O)N1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 24779204 XOTRNNLGUQAHHX-UHFFFAOYSA-N 356.831 2.194 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1Cl 43273360 BXQPYNXMAVBSHA-UHFFFAOYSA-N 359.817 2.428 0 40 FEAB CCCCc1nnc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)s1 25446645 ZQJPBKJDILJFJC-UHFFFAOYSA-N 357.439 2.309 0 40 FEAB CNC(=O)Cc1ccccc1NC(=O)CCCNC(=O)NC1CCCCC1 57280814 MXIAHCHLFRIKGI-UHFFFAOYSA-N 374.485 2.326 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(OC(F)F)cc2)s1 102964770 VUVHIZISVHMTDY-WNEGCBGQSA-N 353.390 2.262 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 3289746 SJYFCFADHPDTEH-OAHLLOKOSA-N 366.417 2.246 0 40 FEAB CN1/C(=C\C(=O)CSc2nc(N)cc(=O)[nH]2)C(C)(C)c2ccccc21 12601381 NNXXIWUXEKFADU-ZSOIEALJSA-N 356.451 2.325 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCC(=O)N1CCOCC1 58194059 ZAPZMRLVIXTELJ-OAHLLOKOSA-N 359.470 2.138 0 40 FEAB O=c1[nH]nc(SCc2nc(-c3ccsc3)no2)n1C[C@@H]1CCCO1 58226237 IMNZELGRQHFXMC-JTQLQIEISA-N 365.440 2.154 0 40 FEAB COc1cc(C(=O)NCCCN2CCOCC2)ccc1OC1CCCC1 48190139 ABPJZEMDEKZSIY-UHFFFAOYSA-N 362.470 2.469 0 40 FEAB COc1cccc(N2Cc3nc(=O)n(CCc4ccccc4)n3C2=O)c1 61717792 FTMCIXSPIXDJMF-UHFFFAOYSA-N 350.378 2.284 0 40 FEAB COc1cc(CNC(=O)c2cnccn2)ccc1OCc1ccncc1 48353664 GAVPUXJIJRPEQV-UHFFFAOYSA-N 350.378 2.389 0 40 FEAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCC(=O)O 2417472 FKKGPBFCUMTGNS-GFCCVEGCSA-N 373.405 2.420 0 40 FEAB O=C(Cc1cccc(O)c1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 60359042 JAWNVEHDASOJAN-IBGZPJMESA-N 358.413 2.264 0 40 FEAB C[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc2N(C)C1=O 72305656 PNELLXZGBHGHKV-MNEFBYGVSA-N 371.481 2.276 0 40 FEAB O=C(CNC(=O)c1ccco1)Nc1cc(Cl)ccc1N1CCOCC1 2635915 SKXNKAJWSIZOEZ-UHFFFAOYSA-N 363.801 2.138 0 40 FEAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2619586 IUIRSMXETZCFNL-INIZCTEOSA-N 357.332 2.399 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)CCN1C(=O)COc2ccccc21 13023756 LAQWRPMHJGVSON-UHFFFAOYSA-N 372.396 2.479 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)Cn2c(C)cc3ccccc32)no1 96000998 SUJBWQRQKWXLSY-INIZCTEOSA-N 370.409 2.079 0 40 FEAB CN(C)c1ncccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 49727293 RFBXHVBMUGLDGN-UHFFFAOYSA-N 373.478 2.439 0 40 FEAB CN(Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 14094732 NULRDOYHEFKRST-UHFFFAOYSA-N 367.496 2.340 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 14182853 RJWKPGPEBKVKJE-UHFFFAOYSA-N 374.462 2.156 0 40 FEAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4545084 ZEDVTFWQYJXCBF-CYBMUJFWSA-N 365.904 2.318 0 40 FEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COCc1ccc(Cl)cc1 14254647 DYPKOQGNTXAYBI-HRCADAONSA-N 351.830 2.393 0 40 FEAB COCCCNc1nc2ccccc2n(CC(=O)N2CCCCCC2)c1=O 6508722 LGGQXGLAUAJUSH-UHFFFAOYSA-N 372.469 2.248 0 40 FEAB COc1cccc(-n2nc3c(N4CCN(C)CC4)nnc(C)c3c2C)c1 4666063 LUGVXGXQMJJLON-UHFFFAOYSA-N 352.442 2.193 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cnn(-c3ccccc3)c1)C2=O 14701159 YXCGBFDUZQKQCU-UHFFFAOYSA-N 367.409 2.018 0 40 FEAB CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccccc1 6764347 ZFLQOPBVHYXWEZ-UHFFFAOYSA-N 358.419 2.295 0 40 FEAB COC(=O)c1ccc(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 15402113 KOQVICYJMPEXFV-UHFFFAOYSA-N 374.462 2.286 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(F)c2)ccc1C 7273369 OQBSJBODMZLXGY-UHFFFAOYSA-N 352.387 2.303 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1 15614969 IAMKSCUZCMHFQT-AWEZNQCLSA-N 371.437 2.393 0 40 FEAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCNC1=O 7362107 CDNUZFVYXRXMDS-GFCCVEGCSA-N 371.466 2.236 0 40 FEAB COc1cc2nc(Cl)nc(NCCN3CCOCC3)c2cc1OC 19862339 FWFIEHWLQUDVMZ-UHFFFAOYSA-N 352.822 2.045 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 7813943 KKHIZBUDTTWALP-UHFFFAOYSA-N 372.437 2.378 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2nc3ccccc3n2C)c1 28249224 HLZQZZQTBRBAIL-UHFFFAOYSA-N 361.423 2.069 0 40 FEAB COc1cccc(-c2noc(COC(=O)CCN3CCSC3=O)n2)c1 8543515 HDJPGIUTILLJHX-UHFFFAOYSA-N 363.395 2.347 0 40 FEAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@H]1COCCO1 84605721 RZNJMDFABOXDKJ-KRWDZBQOSA-N 366.421 2.240 0 40 FEAB CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCc3ccccc3C2)c1 60244939 IEXFEKWBWBLMOH-UHFFFAOYSA-N 373.478 2.004 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 28207186 NYUREKDIKPWYLP-UHFFFAOYSA-N 366.483 2.322 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cn1C 524733450 SSILBUKFMHDRIP-UHFFFAOYSA-N 369.396 2.278 0 40 FEAB Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C)CC2)cc1 35310848 JXNYGJMHYNRZEH-HXUWFJFHSA-N 362.481 2.367 0 40 FEAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 72355419 FAOGZZKYMUUJNQ-CYBMUJFWSA-N 354.439 2.447 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)CN1CCc2sccc2C1 70448000 KUJMBEZIRBGFER-INIZCTEOSA-N 373.478 2.007 0 40 FEAB C[C@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395608 RPUJNRRFWIVLKF-ZBAXXZLZSA-N 357.380 2.460 0 40 FEAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)OC 223705806 RSGWILOTOPCVCS-DLBZAZTESA-N 358.467 2.439 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 40386713 PWNVXCJDVUFXGT-VIFPVBQESA-N 353.304 2.202 0 40 FEAB Cc1c(C(=O)NCc2ccc(F)cc2)cccc1N(C)S(C)(=O)=O 222440283 IEIXKLKXPLGYMC-UHFFFAOYSA-N 350.415 2.460 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 40267523 KUACQGRNRCPURL-UHFFFAOYSA-N 353.300 2.364 0 40 FEAB CCC[C@@H](C)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 222809615 MOTLKOUPIHEPBY-CYBMUJFWSA-N 356.488 2.183 0 40 FEAB COc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)cc1 96061489 YMJJHWZDPLUSKG-GOSISDBHSA-N 354.454 2.067 0 40 FEAB COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)C3(C)CC3)C2)c1 333449058 RGUAFICWZSQVRK-CYBMUJFWSA-N 354.472 2.002 0 40 FEAB Cc1nocc1C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228227 KHTTWIOGPNYMMP-UHFFFAOYSA-N 354.410 2.175 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](c3cncc(-c4cncn4C)n3)C2)no1 257255113 KGDRCISPVRUMBW-CYBMUJFWSA-N 352.398 2.193 0 40 FEAB COCC(=O)N1CCC(Cc2cncc(-c3cccc(C(=O)O)c3)n2)CC1 257263419 LPVQOXLQXQQXGD-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257273074 NFDPBAKLZNAFHP-AWEZNQCLSA-N 360.435 2.271 0 40 FEAB COc1ccc(CNC[C@@H]2CNC[C@H]2c2cncn2C)c(Cl)c1OC 1615588548 BYPPXPGVHZMGPY-ZIAGYGMSSA-N 364.877 2.184 0 40 FEAB COc1ccc(CN2CC[C@@H](N3CCC(c4cnn(C)c4)CC3)C2=O)cc1 659868685 LVVDOOKNNRSFAW-HXUWFJFHSA-N 368.481 2.409 0 40 FEAB CN1CCC(N2CC[C@@H](NC(=O)N3CC[C@@H]3c3ccc(F)cc3)C2)CC1 660712421 JXLKXVQRYSGBRB-IEBWSBKVSA-N 360.477 2.451 0 40 FEAB CC(C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)c1 1775965770 KMSFJNITBBYZRO-GFCCVEGCSA-N 365.411 2.329 0 40 FEAB CN(C)c1nc2sc(C(=O)NC3(CC(=O)O)CCOCC3)cc2s1 663122964 RVKHZVHZKSTROV-UHFFFAOYSA-N 369.468 2.178 0 40 FEAB CCn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)cn1 585111796 BYPWCFIXCYVSPF-INIZCTEOSA-N 368.441 2.070 0 40 FEAB Cc1ccc(COc2cccc(C=c3sc4n(c3=O)CCN=4)c2)cc1 585680298 DIWVVCXNXJMZMX-UHFFFAOYSA-N 350.443 2.259 0 40 FEAB CC(C)C[C@@H](O)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111411 SUMHRPVOOVDJFM-MSOLQXFVSA-N 357.454 2.068 0 40 FEAB Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1 685940040 CCUZSNDVKMOQDA-UGSOOPFHSA-N 353.426 2.339 0 40 FEAB CC(C)N1C(=O)C[C@H]2[C@H](CNS(=O)(=O)Cc3ccccc3)[C@@H](C)C[C@H]21 1775964374 LHUSVKAISRPUHT-DZJNRPSUSA-N 364.511 2.388 0 40 FEAB biogenic,in-vitro CCc1cnc(OC2CCN(c3cc(=O)n4ccccc4n3)CC2)nc1 1776007941 NLKUTSMKVJPNMD-UHFFFAOYSA-N 351.410 2.095 0 40 FEAB CC(C)[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N(C)C 58192223 GVLKSKLECONPFC-OAHLLOKOSA-N 371.528 2.071 0 40 FEAB O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1occc1-c1ccccc1 83014191 MBZTUWQGCFZZOY-QGZVFWFLSA-N 354.406 2.456 0 40 FEAB Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccnn3CC(F)F)n2)c1 684065573 SGKSEGLIILHIBW-JTQLQIEISA-N 361.356 2.128 0 40 FEAB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 5746396 GLOIDFLHPQHLFW-GXDHUFHOSA-N 366.329 2.060 0 40 FEAB COc1cccc([C@H]2c3cc4c(cc3O[C@H]3COC(=O)[C@@H]32)OCO4)c1OC 5941934 NUCFVLUQYPWOTM-BZSNNMDCSA-N 370.357 2.498 0 40 FEAB CN(C)c1ncc(CN2Cc3ccccc3OC3(CCOCC3)C2)cn1 12122169 ASMJOGPTMRAOCQ-UHFFFAOYSA-N 354.454 2.486 0 40 FEAB Cn1nc(C2CCN(C(=O)COc3ccccc3F)CC2)c2nccnc21 19289417 MTVYSRHEVINFHS-UHFFFAOYSA-N 369.400 2.287 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[nH]c(-c2cccnc2)n1 19458451 GWPOLYMMFHCNRH-LLVKDONJSA-N 364.361 2.052 0 40 FEAB CN(CCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 7364800 XTLWCJCABSWPOM-UHFFFAOYSA-N 373.478 2.376 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2nnc(C3CC3)n2n1 1889217914 PPGBBBPZZJIPNS-UHFFFAOYSA-N 366.381 2.221 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cn1 37844426 UXEFNRYBANHIIT-UHFFFAOYSA-N 355.213 2.500 0 40 FEAB CC(C)N1C[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)COCC1=O 2037985719 TUEQHDREKHLMTC-HXUWFJFHSA-N 362.445 2.244 0 40 FEAB O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 3906802 UHSRMLPRMGHZCD-UHFFFAOYSA-N 361.357 2.202 0 40 FEAB O=C(Cc1ccccc1)NCCCS(=O)(=O)N1CCc2ccccc2C1 16849415 NVYITGCLHVHHOM-UHFFFAOYSA-N 372.490 2.124 0 40 FEAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(Cc2cccc3[nH]ccc23)C1 2055771963 MWOYGTQJLAYFKT-FQEVSTJZSA-N 351.454 2.444 0 40 FEAB CCn1cc(CN2C[C@H]3[C@H](CC(=O)Nc4cccnc4)COC[C@H]3C2)cn1 2055756352 FZHPJUSBOOUWNA-LMMKCTJWSA-N 369.469 2.021 0 40 FEAB Cc1cnc(N(C)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3C)C2)nc1 2086881947 IXNLHJXEWIOEJO-CYBMUJFWSA-N 370.482 2.199 0 40 FEAB CC(C)c1nsc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)n1 2298213112 NNIBMOSQHSVOST-UHFFFAOYSA-N 370.486 2.179 0 40 FEAB CSCc1nc2ccccc2n1CC(=O)NCc1nnc2ccccn12 40009587 ICUKRJPNCLYNKA-UHFFFAOYSA-N 366.450 2.258 0 40 FEAB Cc1ccc([C@@H](C)CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101208760 SNJZOFCKQRHLPG-AOILIUCDSA-N 352.434 2.022 0 40 FEAB COC[C@@H](C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 20889500 WOEIALVBUGUBDC-CYBMUJFWSA-N 360.483 2.447 0 40 FEAB CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)NC1=O 101507905 HXTYBZYKPBPIKR-QGZVFWFLSA-N 367.405 2.154 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1 33005360 OEXOEBKGOZBPTC-CYBMUJFWSA-N 366.845 2.262 0 40 FEAB COc1cc(NC(=O)NCC(=O)NCC(F)(F)F)c(OC)cc1Cl 47360521 SQBAYKHMVDMTGM-UHFFFAOYSA-N 369.727 2.157 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OC2CCCCC2)cc1 22756925 XHPVFKCXFDMAHJ-UHFFFAOYSA-N 353.440 2.386 0 40 FEAB COC(=O)c1ccc(Nc2nnc(Cc3ccc(OC)cc3)c(=O)[nH]2)cc1 2718687 FKVIZPJLSKPOLL-UHFFFAOYSA-N 366.377 2.295 0 40 FEAB CN(C)CCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 4130372 YVMWNQXLYXVWRU-UHFFFAOYSA-N 374.514 2.006 0 40 FEAB CCc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NC)cc2c1 4161990 RZIBCHPFAPKDGF-UHFFFAOYSA-N 360.527 2.349 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NC(c3ccccc3Cl)=NC2=N1 940699 KSQCQSFHMNBUGE-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB CCn1c(C)cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 4386394 UVJKWTXAQNEERX-UHFFFAOYSA-N 365.437 2.111 0 40 FEAB CCc1ccccc1NC(=O)COC(=O)Cn1cnc2sccc2c1=O 24234206 PHLXNBCIIWQAJL-UHFFFAOYSA-N 371.418 2.202 0 40 FEAB Cc1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)c2c(C)nn(C)c2n1 24632838 ITSWGAOAMXYKTN-UHFFFAOYSA-N 361.409 2.477 0 40 FEAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(SC(F)F)cc2)c1 58209576 MDIPYDADXZSQQL-UHFFFAOYSA-N 374.434 2.462 0 40 FEAB COCc1ccc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 23047729 DCXZTKQJBYLXLF-UHFFFAOYSA-N 373.405 2.323 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)nc1 43998666 ULVOCAXEAZEJDG-CABCVRRESA-N 359.426 2.311 0 40 FEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cn[nH]c(=O)c1Cl)CC3 26725314 CJKRLRQWXBNYGK-UHFFFAOYSA-N 358.785 2.254 0 40 FEAB O=C(OCc1ccccc1)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 84539372 NWXOLHHCKCTZCE-SJLPKXTDSA-N 357.381 2.073 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@](C)(O)C(F)(F)F)cn2)n1 58210053 JJTLVBXWRRAKBF-OAHLLOKOSA-N 356.348 2.204 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)n1cccn1 58246398 HARGOGOARZKQDA-CRAIPNDOSA-N 372.444 2.275 0 40 FEAB CC(=O)N[C@@H](CC(=O)O[C@@H](C(N)=O)c1ccccc1)c1ccc(C)cc1 10375045 KIMHROCFIVMRQM-PKOBYXMFSA-N 354.406 2.332 0 40 FEAB NC(=O)NCc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12792210 MFHLOOKCQBLZFL-UHFFFAOYSA-N 363.421 2.030 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2c[nH]c3ccccc23)c1=O 10910922 NJWPALMNRILCJM-UHFFFAOYSA-N 363.295 2.330 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)NC(=O)c1ccco1 2358768 ZQQCCDHSECLZSD-UHFFFAOYSA-N 364.379 2.210 0 40 FEAB CCCc1nnc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)s1 11615680 ATNCSWZKUBTSJO-UHFFFAOYSA-N 370.456 2.258 0 40 FEAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3ccc(N)nc3)n(C)n2)CC1 100687687 GWYMKWMLASWMEU-GASCZTMLSA-N 370.501 2.163 0 40 FEAB C1CCC(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)C1 29997636 LTCKPROOVJDJHA-UHFFFAOYSA-N 371.533 2.137 0 40 FEAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CCc2sccc2C1 10923661 LNXIRRPBRFQPKL-UHFFFAOYSA-N 355.419 2.139 0 40 FEAB Cc1cc(=O)c(C(=O)N2CCOCC2)nn1-c1ccccc1C(F)(F)F 12946427 VMJSBFWAHUZYMM-UHFFFAOYSA-N 367.327 2.032 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 28207436 IQSVUXQXBHNJOO-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(Nc1nccs1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71284514 PJLTUUKJNQGIDA-UHFFFAOYSA-N 369.362 2.136 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(F)cc2)N1)OCCCO4 9115723 WMKUTSCNPIDZSU-INIZCTEOSA-N 353.357 2.433 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12 65026737 RZOSQVXIMGAEKP-CYBMUJFWSA-N 366.377 2.034 0 40 FEAB COc1ccc(CCOC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 6369084 HEQWFMZDHFSEFX-VBKZILBWSA-N 374.437 2.282 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)C[C@H](NC(N)=O)c1cccs1 14521529 OEAMKBKCXSWMBH-LBPRGKRZSA-N 361.423 2.235 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 5505900 SUPDKCSBQBTVSJ-VQHVLOKHSA-N 369.373 2.297 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 6678945 AENUEAKKPMGDLY-UHFFFAOYSA-N 365.361 2.162 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCC2)c(=O)[nH]c1=O 14670098 LGFVCOZOQBRERD-UHFFFAOYSA-N 364.490 2.488 0 40 FEAB CCNC(=O)NC(=O)[C@H](OC(=O)c1cc(C)ccc1O)c1ccccc1 5680292 RWWRMQBJIWJRET-MRXNPFEDSA-N 356.378 2.444 0 40 FEAB Cc1ccc(N(CCCC(=O)NCc2ccco2)S(C)(=O)=O)cc1 4999168 XYRDKLVKZSVYDW-UHFFFAOYSA-N 350.440 2.451 0 40 FEAB CCC(C)(C)NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 7376730 GYDSODNQWDRGNL-UHFFFAOYSA-N 363.457 2.097 0 40 FEAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)[C@H]1CCCO1 9516278 YSLTWKMPECPFEI-QGZVFWFLSA-N 358.394 2.435 0 40 FEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C[C@H](C)O[C@H](C)C2)c1 20962888 PLUSFJMDSFBZIR-DAYGRLMNSA-N 362.470 2.477 0 40 FEAB COc1ccc(CN2CCC[C@H]2C(=O)N2CCSCC2)cc1OC 92672984 ITBHDYVONVBARR-HNNXBMFYSA-N 350.484 2.244 0 40 FEAB NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(-c3nnco3)c2)n1 95468156 KFFVEHIBBLJCQP-UHFFFAOYSA-N 374.360 2.274 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 408583924 KQDWVEHEARSTDR-CQSZACIVSA-N 362.451 2.021 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CC)C2)cc1 408554561 CABRYPCMRZAFRN-HUUCEWRRSA-N 368.499 2.401 0 40 FEAB Cc1ccc(C)c(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 306141350 VSYSBLFPLUJMIG-MSOLQXFVSA-N 367.497 2.337 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1 530665665 HIKFKCHGHJIAPJ-UHFFFAOYSA-N 351.356 2.017 0 40 FEAB Cc1[nH]c2ccc(CNC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cc2c1C 551218193 HRUYKBKMJVDHRO-MOPGFXCFSA-N 356.470 2.399 0 40 FEAB CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1OC 35289100 OSIDXURMHLXJBC-UHFFFAOYSA-N 355.423 2.176 0 40 FEAB CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(=O)CNC(C)(C)C)c1 77301571 TWHUHQNUVSCRPV-UHFFFAOYSA-N 365.430 2.378 0 40 FEAB in-vitro CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218410435 WFMPCWCTXNIOTK-OALUTQOASA-N 358.507 2.401 0 40 FEAB CCOCCCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217577287 BFPJJKDJMIBDCE-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(N2CCCS2(=O)=O)cc1 71286021 BZUVNQPFWYGPPO-UHFFFAOYSA-N 374.418 2.106 0 40 FEAB CC(C)OCCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224388121 MITDRSUBTIKKOM-UHFFFAOYSA-N 354.472 2.162 0 40 FEAB CN1CCO[C@@H](CNc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1 583617572 ZIJIWMXWTUAOQD-JXFKEZNVSA-N 350.422 2.178 0 40 FEAB COCCN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)N(C)C)CC2 96069711 UHPJHYGYQUHKEM-QGZVFWFLSA-N 359.470 2.165 0 40 FEAB Cc1ccsc1C(=O)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249759 QWXQLXKIZFKGKS-HUUCEWRRSA-N 358.467 2.214 0 40 FEAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2C)cc1 98212482 IWUUILPYWLMUIO-UHFFFAOYSA-N 365.393 2.486 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242464065 DULAXBPYVIQRRT-NSHGMRRFSA-N 373.474 2.449 0 40 FEAB C[C@@]1(c2ncc(CNS(=O)(=O)c3cccs3)cn2)CCCCO1 257320997 VZQRYBIXQQJJQW-HNNXBMFYSA-N 353.469 2.432 0 40 FEAB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 260897702 KFSXQCFMTVAIKQ-CZUORRHYSA-N 356.488 2.401 0 40 FEAB NC(=O)C[C@H]1COCCN1C(=O)CCn1c2ccccc2c2ccccc21 654519609 IENOFJRGZTYNKZ-HNNXBMFYSA-N 365.433 2.287 0 40 FEAB C[C@@](NC(=O)c1cc2c(nc1O)CCCC2=O)(C(=O)O)c1ccccc1 663141295 JZKZBXDINOEVEM-IBGZPJMESA-N 354.362 2.036 0 40 FEAB Cc1cc(N2C[C@@H](C(=O)N[C@@H]3CCNC34CCCC4)CC2=O)ccc1F 648211316 OACZRAINMHYNHQ-WMLDXEAASA-N 359.445 2.278 0 40 FEAB CN(C)c1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3)C2)cn1 585278047 ZEEQIECASJITMC-FQEVSTJZSA-N 355.438 2.194 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585096875 BVEUOLKJWITTNZ-HNNXBMFYSA-N 369.469 2.230 0 40 FEAB O=C(c1cncc(F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007968 PKIOAVAWSPEIAS-UHFFFAOYSA-N 368.290 2.124 0 40 FEAB O=C(CN(C[C@@H]1CCCO1)C(=O)C1=Cc2ccccc2OC1)N1CCCC1 72533946 PHRCAQDGZAOVBF-SFHVURJKSA-N 370.449 2.092 0 40 FEAB CS(=O)(=O)N1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCCC2)C1 60064831 NZYQFZHCTZMHSU-INIZCTEOSA-N 368.474 2.178 0 40 FEAB CC(C)N1CCC(N2CCO[C@](CO)(Cc3ccc(F)cc3)C2)CC1 1615151925 ACANSEZMTWPRQU-HXUWFJFHSA-N 350.478 2.304 0 40 FEAB COc1ccc(CC(=O)OCC(=O)N2CCc3ccccc3C2)cc1OC 5666699 DSKHHMAQTIFWDH-UHFFFAOYSA-N 369.417 2.374 0 40 FEAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3nonc3C)CC2)on1 12224133 MAQBJFBCSAVINJ-UHFFFAOYSA-N 374.426 2.142 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1=COCCO1 12912804 TVGBFJOEQDALHD-UHFFFAOYSA-N 366.439 2.078 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)c1 17028816 QRMFZFLVEMEKPS-NSHDSACASA-N 351.362 2.092 0 40 FEAB CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17056437 JHYNDFCHZRYIPO-ZIAGYGMSSA-N 356.463 2.387 0 40 FEAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19448216 OSBYIGWOOUKTIM-KRWDZBQOSA-N 358.486 2.390 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590640 SRWGJYPQXPLHTF-OAHLLOKOSA-N 352.438 2.103 0 40 FEAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)CCc2nc(C)no2)cc1 19665216 GOBJHAJBFSJGLZ-LJQANCHMSA-N 367.409 2.217 0 40 FEAB Cc1cc(NC(=O)Cn2cc(C(=O)NCCC3CCCC3)ccc2=O)no1 19751152 YBAQFGVCENKLNA-UHFFFAOYSA-N 372.425 2.094 0 40 FEAB Cn1nc(C2CCN(c3ncnc4ccsc34)CC2)n(C2CC2)c1=O 1888890727 RLXLABBSMKKSBM-UHFFFAOYSA-N 356.455 2.305 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCOCc2ccccc2)cc1 224343819 XVCFOWGYLSWMFV-UHFFFAOYSA-N 363.435 2.109 0 40 FEAB Cn1ccc(N2CCC3(CCN(C(=O)Cc4ccccc4)CC3)C2=O)n1 1565552801 XMAYLDWEABOTRJ-UHFFFAOYSA-N 352.438 2.008 0 40 FEAB Cc1cc(C)cc(C(=O)NCCn2ncc3c(N4CCCC4)ncnc32)c1 11665961 NVAPUUIJCCRRSB-UHFFFAOYSA-N 364.453 2.473 0 40 FEAB Cc1cc(N2CC(n3nc(-c4ccncc4)ccc3=O)C2)n2nc(C)cc2n1 1775974112 BLROHEPUPUSQKS-UHFFFAOYSA-N 373.420 2.026 0 40 FEAB c1ccc(-c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)nn2)nc1 1775974005 AFPNMBDJVOJMKQ-UHFFFAOYSA-N 363.425 2.121 0 40 FEAB Cn1ncc2c(N3CCC(COc4ccc(C5CC5)nn4)CC3)ncnc21 1775965691 KEXHCMLLSONIRC-UHFFFAOYSA-N 365.441 2.326 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)cc1Cl 206619518 CEBSJHLSYOKPPO-HNNXBMFYSA-N 359.831 2.214 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccccc2Cl)CC1 40030767 OYHOAHUEEBYYDK-UHFFFAOYSA-N 351.878 2.403 0 40 FEAB CC(C)(C)c1ccc([C@H]2CCCN2CCS(=O)(=O)CCC(N)=O)cc1 40154565 WNRIUEBERJBPDV-QGZVFWFLSA-N 366.527 2.411 0 40 FEAB CCOC(=O)C1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 22080241 IQZJKKXHSSKMRG-INIZCTEOSA-N 358.438 2.379 0 40 FEAB O=C(CCc1cn[nH]c1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 12449440 UVTUHASCTXTQEN-HXUWFJFHSA-N 367.497 2.498 0 40 FEAB Cc1cc(C)cc(CSCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 12535877 FOQWSHRIKYTHDW-UHFFFAOYSA-N 372.494 2.374 0 40 FEAB COc1ccc(CNC(=O)N2CCN(Cc3csc(C)n3)CC2)cc1 24045757 DYUGUWSMCCTMFP-UHFFFAOYSA-N 360.483 2.488 0 40 FEAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6432469 WKLVRBQBHMQILA-UHFFFAOYSA-N 353.271 2.482 0 40 FEAB CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7091845 XNOJWJPENZBLIT-CYBMUJFWSA-N 359.426 2.411 0 40 FEAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1 7881257 BIUAUAOJNYNLFP-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)OC[C@@H]1C[C@H]2CC[C@H]1C2 108057735 SORVEIYPYHVZKQ-KKUMJFAQSA-N 370.453 2.357 0 40 FEAB CN(C)c1ncccc1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 62287133 LUTZMYNJCYBGAH-QGZVFWFLSA-N 368.437 2.195 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(N)s2)nc1C 10059424 CNRUAEGURARVSI-LURJTMIESA-N 373.485 2.181 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)c1 20800063 LNHOKTFYQPNKNK-ZDUSSCGKSA-N 366.425 2.032 0 40 FEAB CCN1CCN(c2ccc(C(=O)Nc3ccc(=O)n(CC)c3)cc2F)CC1 58202706 JNGLVHQRWYAPIV-UHFFFAOYSA-N 372.444 2.402 0 40 FEAB CCOC(=O)c1cccc(S(=O)(=O)NCCc2nc(C)cs2)c1 58194589 FXGASDRRXXDDLO-UHFFFAOYSA-N 354.453 2.149 0 40 FEAB Cc1ccc(-c2nc(C(=O)NC3CCN(CC(N)=O)CC3)cs2)c(C)c1 58279012 KYQMTGQXEURZPC-UHFFFAOYSA-N 372.494 2.106 0 40 FEAB CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(C(F)(F)F)ccc21 22236898 OYAJBDDGHPOGGS-UHFFFAOYSA-N 367.371 2.428 0 40 FEAB COc1cc2c(cc1OC)CN(c1nn3c(=O)cc(C)nc3s1)CC2 58329231 BSZQTLWZALJUMR-UHFFFAOYSA-N 358.423 2.039 0 40 FEAB COc1cc(NC(=O)COC(=O)Cc2cccs2)cc(OC)c1OC 10530526 DWOVJJPAAGWUQK-UHFFFAOYSA-N 365.407 2.498 0 40 FEAB CC1CCN([C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C(C)C)CC1 36398187 GIVKMRCVXKCJAC-SFHVURJKSA-N 361.486 2.037 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)cc1 45815587 IGAWMUMXCPSHRB-MRXNPFEDSA-N 351.449 2.226 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 3555660 QZSGOCFTUCMTKB-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1Cc1ccco1 3507949 AHMOZLLQUQNMMK-UHFFFAOYSA-N 354.366 2.158 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1ccc(F)cc1I 48776907 NVXWKIZYRVTRHX-UHFFFAOYSA-N 365.142 2.112 0 40 FEAB Cc1nc(CCCNS(=O)(=O)c2ccc(OCC(C)C)cc2)n[nH]1 72307466 QYAWCZSNVVNVCX-UHFFFAOYSA-N 352.460 2.059 0 40 FEAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)NCc1ccco1)S2 9236481 ZBYDWVZZGTUGKG-LSDHHAIUSA-N 355.423 2.255 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4393162 CTXFKMOJUSGMSO-ZDUSSCGKSA-N 353.440 2.407 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 14120622 XSBKDAPFWRZTIO-LJQANCHMSA-N 371.368 2.240 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)s1 14168545 UCWSTIPGWMATEJ-UHFFFAOYSA-N 371.459 2.137 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(C(F)(F)F)s1 4503026 CCCATGIKOOKEOK-UHFFFAOYSA-N 365.358 2.359 0 40 FEAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 4555257 GXMHQASTEZZKIJ-OAHLLOKOSA-N 353.374 2.474 0 40 FEAB O=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccccc1F 66073299 YPUUXLGHXHIBPC-UHFFFAOYSA-N 357.385 2.349 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)NCC1(c2ccccc2)CC1 21561854 NSGFEBGITVBJOU-UHFFFAOYSA-N 368.433 2.096 0 40 FEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942234 VPRFJIZEFDHWAX-SQDXWYPISA-N 371.433 2.491 0 40 FEAB CC(C)CN1C(=O)C(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O 7774310 UTTMCXLPUIBVKF-UHFFFAOYSA-N 352.774 2.153 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)c1 8247285 SQTLAFAZFAYTLZ-HNNXBMFYSA-N 354.406 2.373 0 40 FEAB COc1ccc(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)c(OC)c1 8233464 YGHZLLNYLVOPDY-UHFFFAOYSA-N 371.389 2.168 0 40 FEAB COC(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408625435 YDXPYXVQXWBUBQ-UHFFFAOYSA-N 372.402 2.371 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCSc1ccccc1 17479616 DDQBMPANMJZPGQ-UHFFFAOYSA-N 361.467 2.150 0 40 FEAB COC(=O)[C@H](c1cccnc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 83884362 GXLSYWIIAKIADD-KRWDZBQOSA-N 373.840 2.407 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccccc2[nH]1 8705921 CKTIPBBPAQGBGH-UHFFFAOYSA-N 356.451 2.376 0 40 FEAB N[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 95972604 OPRBUQVALANCTE-SECBINFHSA-N 362.295 2.446 0 40 FEAB O=S(=O)(Cc1ccccc1C(F)(F)F)N[C@@H]1CCCn2ncnc21 97013278 ICLNWAYSXRJGRD-GFCCVEGCSA-N 360.361 2.251 0 40 FEAB COc1ccc(Cl)cc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 73751566 FQXQGNWXTQEISK-INIZCTEOSA-N 367.877 2.355 0 40 FEAB O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 89783404 QGQCKPNMJNTKSA-CJNGLKHVSA-N 374.828 2.016 0 40 FEAB Cc1cc(I)cc(C)c1NC(=O)[C@@H]1CCC(=O)N1 408737766 OMIIAXBWLPAEDH-JTQLQIEISA-N 358.179 2.125 0 40 FEAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCCn1ccnc1 23238780 GPIBNMKQMSDPFA-UHFFFAOYSA-N 369.450 2.341 0 40 FEAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCc1ccccn1 547694867 QUBADASZNUVEEZ-RDJZCZTQSA-N 360.433 2.348 0 40 FEAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306131658 KLKVWIFLQOIZQW-CABCVRRESA-N 373.888 2.374 0 40 FEAB O=C(NCc1ccc(F)cc1F)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816809 YGCLZHXVMOWZOL-UHFFFAOYSA-N 374.343 2.082 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)nc12 72347028 GHPMUUQHIILPTR-UONOGXRCSA-N 355.442 2.166 0 40 FEAB C[C@@H](NC(=O)c1ccn(COc2ccccc2)n1)C(=O)N1CCCCC1 72250006 XRFHYKDABZRSAF-OAHLLOKOSA-N 356.426 2.050 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)cc1F 9504104 SKZPDYGSANHXSI-UHFFFAOYSA-N 360.794 2.155 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCC1 223263674 IRUSRMZTWISVHN-MRXNPFEDSA-N 354.472 2.299 0 40 FEAB CCCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 49066147 JWRLGLKSSIIASY-UHFFFAOYSA-N 363.277 2.131 0 40 FEAB COc1cccc(C[C@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)c1 225162806 PRKQIGCJRPTEAZ-MRXNPFEDSA-N 367.398 2.296 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 225607627 SHFFDPCSBXJBFC-ZBEZCMNISA-N 374.462 2.433 0 40 FEAB Cn1cnc2ccc(NC(=O)c3cn(C)c(=O)c4ccccc34)cc2c1=O 95472449 HGKNNHKEVHBUMK-UHFFFAOYSA-N 360.373 2.038 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242252 UGGFCGCWGHUROI-GOSISDBHSA-N 369.509 2.218 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(c4ncccn4)C3)C2)cc1 96216917 FAEFZFSUCMWWSD-IBGZPJMESA-N 372.494 2.466 0 40 FEAB CCCn1nccc1-c1cc([C@H]2CCCN2S(=O)(=O)N(C)C)ccn1 257199903 ABEXWFHNEASABF-MRXNPFEDSA-N 363.487 2.298 0 40 FEAB Cc1ncc(CNC(=O)CCc2c(C)noc2C)c([C@@H]2CCCN2C)n1 257276120 NSLAIQJRRJWFTG-KRWDZBQOSA-N 357.458 2.406 0 40 FEAB CN1CCN(C(=O)c2ccncn2)C[C@@H](Cc2cncc3ccccc23)C1 257299185 RPAUINSECFMJRS-INIZCTEOSA-N 361.449 2.271 0 40 FEAB COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 285208263 WYGYDYRQXYKZLX-NVXWUHKLSA-N 368.424 2.307 0 40 FEAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCc3c(Cl)cccc3C2)cnn1C 643688112 MGJWEBHRHOYTLY-SJORKVTESA-N 358.873 2.270 0 40 FEAB C[C@@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)c1ccc(F)c(Cl)c1 671094355 HHYLBBVYPLNRPE-BXKDBHETSA-N 364.808 2.053 0 40 FEAB CCn1nc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 685942376 JXCKGLKIJIRUQQ-UGSOOPFHSA-N 356.430 2.061 0 40 FEAB Cn1cc(-c2noc(CNC(=O)c3ccccc3C(F)(F)F)n2)cn1 575617215 RBYSKUPJJHFUKT-UHFFFAOYSA-N 351.288 2.419 0 40 FEAB O=C(CC[C@H]1CCCO1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585286360 WUWNWJDILHGIIF-LRCYWBKYSA-N 351.418 2.419 0 40 FEAB C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1c[nH]c2ccccc12 585096629 WKUQWAXBTNMTNS-LBPRGKRZSA-N 351.410 2.283 0 40 FEAB Cc1nc(-c2cc(C[C@@H]3CCCN(S(C)(=O)=O)C3)ncn2)sc1C 585179635 UOWDAWBXCUMZMQ-ZDUSSCGKSA-N 366.512 2.431 0 40 FEAB CCN(C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O)C1CCCCC1 585291107 KMEKAFWNHYLKDC-IRLDBZIGSA-N 374.525 2.208 0 40 FEAB COc1ncnc(N(C)C)c1NC(=O)N1CCN(C)c2ccccc2C1 677203582 HPPYUHGKCNSCHC-UHFFFAOYSA-N 356.430 2.035 0 40 FEAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cnc(C4CCNCC4)[nH]3)C2)n1 685941195 AIXMWEQECSMYLL-INIZCTEOSA-N 356.474 2.167 0 40 FEAB CN1CCC(c2ncc(C(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)[nH]2)CC1 685942782 VSDLVAAZMPZAAJ-WMZOPIPTSA-N 354.454 2.167 0 40 FEAB NC(=O)N[C@@H](CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 29974438 RKVJJSWVSKMBBV-VIFPVBQESA-N 368.153 2.227 0 40 FEAB O=C(CCC(=O)N1CCc2sccc2C1)NCc1cccc2c1OCO2 84358621 VPEWZRHMQUDPLD-UHFFFAOYSA-N 372.446 2.458 0 40 FEAB CCc1ncc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)s1 574350937 WGDSBQCBJGSEAY-UHFFFAOYSA-N 352.437 2.496 0 40 FEAB Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 5000180 DZLJOVGMDGRJHG-MOPGFXCFSA-N 367.449 2.321 0 40 FEAB CSc1nc(C)c(CC(=O)Nc2cccc(-c3csnn3)c2)c(=O)[nH]1 12202038 PFVPXUFXQKMVRA-UHFFFAOYSA-N 373.463 2.500 0 40 FEAB CCn1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)c(C)n1 12222302 WPQCJDSLFYRPHK-UHFFFAOYSA-N 367.453 2.228 0 40 FEAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1 12798208 XIIIJBDDEMFESL-UHFFFAOYSA-N 357.757 2.355 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1OC 16681866 AEDQEOCVIXLSKA-UHFFFAOYSA-N 352.387 2.385 0 40 FEAB Cc1cccn2cc(C(=O)N3CCC(CC(=O)NCC4CC4)CC3)nc12 19748452 ANTQDMDIJIMCLF-UHFFFAOYSA-N 354.454 2.411 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)C2)n[nH]1 616295645 DGSLNPBKRKNMKX-LBPRGKRZSA-N 352.398 2.133 0 40 FEAB COc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1 6258923 HQPWJUWPPAJYRX-UHFFFAOYSA-N 365.345 2.290 0 40 FEAB CC(C)c1ncnc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)c1F 1888860401 WOXBGXDUNNDKOZ-UHFFFAOYSA-N 368.363 2.499 0 40 FEAB Cc1nc(N)cc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 1848356118 LVFWKPRFBYWWRA-QGZVFWFLSA-N 350.426 2.471 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCc2ccco2)c1C 630563 BOOZUPJLUBEQSW-UHFFFAOYSA-N 350.440 2.108 0 40 FEAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 4855259 XKMSXHNYDRUSIJ-UHFFFAOYSA-N 357.414 2.453 0 40 FEAB O=C(c1ccc2ncsc2c1)N1CC(c2nc(-c3cnccn3)no2)C1 49485040 LSWUXCZOHLVBDC-UHFFFAOYSA-N 364.390 2.376 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90610651 XVVWSAANUJTTDF-HNNXBMFYSA-N 372.446 2.132 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)c3c(CC)noc3C)CC2)nc1 30434595 BZGZHUJBHBBASJ-UHFFFAOYSA-N 372.425 2.080 0 40 FEAB COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1N1CCCCC1=O 32924861 NBGAUNMPMZLGAH-UHFFFAOYSA-N 371.393 2.174 0 40 FEAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCCO2)c1 23189388 YCPWLVVWMZOWHV-HNNXBMFYSA-N 354.472 2.014 0 40 FEAB CCN(CC)[C@H](CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1 23196895 AWJHYEMMZZPQGZ-SFHVURJKSA-N 371.481 2.469 0 40 FEAB CCn1nc(C(=O)NCc2ccc(C(=O)O)cc2)c2ccccc2c1=O 3425793 ZCVQMELZOKXPGX-UHFFFAOYSA-N 351.362 2.045 0 40 FEAB CCOc1ccccc1-c1nc(CC(=O)NCCNC(=O)C2CC2)cs1 54671419 ISCCRARMBWFWEB-UHFFFAOYSA-N 373.478 2.394 0 40 FEAB CC(C)Oc1ccc(Cl)cc1C(=O)NCCC(=O)N1CCOCC1 55184463 STQALSZHECBOCA-UHFFFAOYSA-N 354.834 2.106 0 40 FEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2c(c1)OCCO2 12566571 YNXRMVSCJKWDMT-UHFFFAOYSA-N 365.341 2.339 0 40 FEAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12550313 NYUJPCWEOLKLER-UHFFFAOYSA-N 358.467 2.179 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CCN(Cc1ccncc1)C2=O 108532275 GXWLKRXJVLPTTJ-FQEVSTJZSA-N 353.470 2.220 0 40 FEAB CCOC(=O)c1cc(C)n(CC(=O)NC2(C(=O)OC)CCCCC2)c1C 25174803 GWCBEUOSGMLOST-UHFFFAOYSA-N 364.442 2.274 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1O 1408322 GHFVZICPRUXJSP-UXBLZVDNSA-N 355.188 2.466 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107339440 VANUZJVIWHDTLR-DZKIICNBSA-N 360.410 2.461 0 40 FEAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 107326437 KFPWWDANYFOJGE-ABHRYQDASA-N 372.421 2.115 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1cccc(Cl)c1 9723499 UXEDHBYXRZRJIH-UHFFFAOYSA-N 360.797 2.157 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2cccs2)C1=O 57336986 KPXNTSCJVZJSQM-GOSISDBHSA-N 371.418 2.209 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 12620765 BDJOJOIDQNCOQL-LJQANCHMSA-N 366.442 2.441 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C1CCCCC1 10031865 YMIWQETYXNLEAH-KRWDZBQOSA-N 357.454 2.331 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)no1 58202557 VDNNNRLZLFPXSS-UHFFFAOYSA-N 367.449 2.435 0 40 FEAB O=C(CCNC(=O)c1ccn(-c2cccc(F)c2)n1)Nc1ccccn1 58201043 GYDHFEPOGSGQBX-UHFFFAOYSA-N 353.357 2.165 0 40 FEAB CSc1ncc(C(=O)Nc2nc(CC(N)=O)cs2)n1-c1ccccc1 10376461 IPCGIKJIEVAIAJ-UHFFFAOYSA-N 373.463 2.331 0 40 FEAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCCC2 22100531 WONFLBBPNWLSEZ-CQSZACIVSA-N 364.511 2.414 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]4C=C[C@@H]3O4)nn2c1O 100139260 KLKSFMQPWISPJW-CSFVBSKPSA-N 368.437 2.313 0 40 FEAB CC(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3342226 BCGLWMJRTXYVIK-UHFFFAOYSA-N 354.435 2.467 0 40 FEAB Cc1nn(Cc2ccccc2F)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 101592597 CQBLOZUFRJLKEU-LUKYLMHMSA-N 369.396 2.354 0 40 FEAB O=C1Nc2ccccc2[C@@]12N=c1ccccc1=C(O)N2CCc1ccccc1 36352581 OQYCYRXKRMQQEG-QHCPKHFHSA-N 369.424 2.293 0 40 FEAB O=C(COc1ccccc1C(=O)N1CCOCC1)NC1CCCCCC1 12855181 MARKSJWRUVKRPT-UHFFFAOYSA-N 360.454 2.377 0 40 FEAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1csc(Br)c1 28923232 NRNXZLJPOCWDFM-CYBMUJFWSA-N 366.240 2.245 0 40 FEAB CC(C)n1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c1=O 20677504 AZVVHNXOBKRVSA-UHFFFAOYSA-N 371.466 2.307 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 29631728 CLIRESNLPHPONO-ZDUSSCGKSA-N 352.818 2.192 0 40 FEAB CCOC(=O)CN1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O 12113067 VMYRNSDJJHUVNZ-LLVKDONJSA-N 373.228 2.446 0 40 FEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1 3491389 JJPIRCJMKRWFJD-UHFFFAOYSA-N 360.399 2.007 0 40 FEAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)CC1 13454879 MGEANMTYCKRLSF-UHFFFAOYSA-N 368.238 2.491 0 40 FEAB CCCN(C(=O)Cc1coc2cc(OC)ccc12)[C@H]1CCS(=O)(=O)C1 6083185 IAYSBTLZXPOZAA-AWEZNQCLSA-N 365.451 2.410 0 40 FEAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 13986967 UJXCMRSLAFEJJE-QGZVFWFLSA-N 358.438 2.380 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)cnc21 14018017 NUUCOYTYJKSFHX-UHFFFAOYSA-N 352.181 2.076 0 40 FEAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CNC[C@H]2CCCO2)cc1 6543722 JLPBOZPGSAEWNL-AZUAARDMSA-N 355.434 2.426 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 9366766 DQAYMIKCKRMXDM-LBPRGKRZSA-N 361.419 2.352 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@@H]1C 5558987 MCVJEKVBLZRASV-JSGCOSHPSA-N 352.456 2.464 0 40 FEAB Cc1c(C(=O)NC[C@H]2CCCN(C)C2)nnn1-c1ccc(OC(C)C)cc1 66839487 JVYZYZWSIOEDIK-MRXNPFEDSA-N 371.485 2.435 0 40 FEAB C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H](c2ccccc2)O1 67828912 YUTGNHKYNQAUEL-RDTXWAMCSA-N 354.406 2.153 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)OCc1cc(-c2ccco2)on1 8278741 GXFDZFIOJHBUKK-UHFFFAOYSA-N 351.318 2.388 0 40 FEAB O=C(CSc1nncn1-c1cccc(Cl)c1)NCC1=COCCO1 84368192 RJMZUYFMWWOKMW-UHFFFAOYSA-N 366.830 2.017 0 40 FEAB CC(=O)Nc1cccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c1 84087431 CCDSERIXVVJWNW-UHFFFAOYSA-N 359.451 2.245 0 40 FEAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 18935291 BWUNEKUDKHQFCZ-SFHVURJKSA-N 373.478 2.282 0 40 FEAB CCn1nc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c2ccccc2c1=O 8806627 PMTBDTADVNEKKO-GFCCVEGCSA-N 357.410 2.021 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCc3ncc(-c4cnn(C)c4)n32)cc1 306142974 XPNCEZVLKYEENX-OAHLLOKOSA-N 371.466 2.058 0 40 FEAB COc1ccc2c(c1)CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CC2 98143553 YJSNPWCRFFJPHA-LJQANCHMSA-N 361.463 2.190 0 40 FEAB COC(=O)CCN1CCN(C(=O)c2csc(-c3ccoc3)n2)C[C@@H]1C 95992836 AKGASLTZIWSEHR-LBPRGKRZSA-N 363.439 2.113 0 40 FEAB NC(=O)N1Cc2sc(-c3cccnc3)nc2[C@]2(CCN(CC3CC3)C2)C1 306129933 IRDFIOXSWGZNFM-IBGZPJMESA-N 369.494 2.453 0 40 FEAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCN(c2ncccn2)CC1 24490359 TWWMFOMWIUHAAF-UHFFFAOYSA-N 353.401 2.297 0 40 FEAB O=C(NCC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)c1cnccn1 306131472 KFRYUQCXYHPFPB-MRXNPFEDSA-N 354.458 2.040 0 40 FEAB CCc1ccc(C)cc1OCCNC(=O)c1ccnc(-n2cnnc2)c1 32646973 SFOMUXXLUZXZSM-UHFFFAOYSA-N 351.410 2.342 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)c3ccco3)C2)n(-c2ccccc2)c1=O 75165275 ASUDJJQWRKIIIY-AWEZNQCLSA-N 352.394 2.184 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C 73743120 TVWLLMMQJYCOII-CYBMUJFWSA-N 368.275 2.297 0 40 FEAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 75476966 VIXJERBVEJUDGJ-HNNXBMFYSA-N 359.513 2.227 0 40 FEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224902889 SYCQBZTUFOSZOB-UHFFFAOYSA-N 362.407 2.257 0 40 FEAB Cc1c[nH]cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O 331854422 WXJCUPHWOIOZQI-GFCCVEGCSA-N 374.828 2.223 0 40 FEAB COc1ccc(CN2CCn3cc(CNC(=O)CC4CC4)nc3C2)cc1 96059442 YEIZSEIYRXZNAV-UHFFFAOYSA-N 354.454 2.324 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)NC1CCCCC1)C2 96237870 HFJGXLXWQQJEJZ-NRFANRHFSA-N 370.497 2.452 0 40 FEAB O=C(c1cscn1)N1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254115 FAZQDMJBAXDGRZ-UHFFFAOYSA-N 370.482 2.306 0 40 FEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H]1COCCN1CC(F)F 332913083 SVCLXQYWKQKKJZ-WMLDXEAASA-N 368.424 2.197 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)on1 96106795 XRYWEWFUUIGRBQ-MRXNPFEDSA-N 357.410 2.359 0 40 FEAB c1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96240460 VDOJMUFLTYEVPG-UYAOXDASSA-N 354.454 2.196 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@H](CNC(=O)c3cccnc3)CO2)C1 248012495 GKPRAIQGEOIOMR-OAHLLOKOSA-N 372.494 2.258 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 248047154 RBJDLAZFWLDMEE-INIZCTEOSA-N 372.494 2.258 0 40 FEAB C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ncc[nH]2)[C@@H]1C 585138648 XLRWWZWBCMFLAA-UPJWGTAASA-N 372.491 2.112 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3ccccc3)CC2)C[C@@]1(C)CO 257313599 UTICMTBXXJKUJN-IBDYFIJFSA-N 356.466 2.312 0 40 FEAB CCc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257339152 ZAKDXAJYYWQBTB-ROUUACIJSA-N 367.453 2.020 0 40 FEAB O=C(O)c1nn(-c2ccccc2F)nc1N1CCN(c2ccccc2)CC1 256047002 JOWDYTBTUOXQRN-UHFFFAOYSA-N 367.384 2.431 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](N)CCO1 652384604 GOMOPULICNMTSF-OAGGEKHMSA-N 356.463 2.184 0 40 FEAB COCCNC(=O)c1cccc(NC(=O)N2CCC(c3ccon3)CC2)c1 667071583 CPSPEYZEDZJXDN-UHFFFAOYSA-N 372.425 2.462 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1cccc2cc[nH]c12 1775957389 RSVGCVFAOPPACT-JSGCOSHPSA-N 355.398 2.087 0 40 FEAB C[C@@]1(CNC(=O)Cc2ccon2)CN(c2nc3ccccc3s2)CCO1 1775992317 SEVOXVBEINVMIA-GOSISDBHSA-N 372.450 2.239 0 40 FEAB CCN(C(=O)c1cnc(C(=O)O)cn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 578890687 UAIXMVWNFYJICT-ZBFHGGJFSA-N 368.437 2.472 0 40 FEAB Cc1cnc(OC[C@@H]2CCn3nccc3CN2Cc2cc(C)on2)nc1 585098106 UGTJWIZKEPAQFM-KRWDZBQOSA-N 354.414 2.131 0 40 FEAB Cc1nc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)cs1 585108798 KVBPYTQIRQARRL-YESZJQIVSA-N 359.451 2.435 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(Cc2cnccn2)C1 585180157 VVRVDPOVKCKEAF-GFCCVEGCSA-N 368.466 2.173 0 40 FEAB O=C(NCCS(=O)(=O)C1CC1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 685939088 ZPRDKILPLCZSTE-CYBMUJFWSA-N 372.437 2.431 0 40 FEAB C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 72096421 VYTJNFLVJFEAMY-NSHDSACASA-N 358.419 2.147 0 40 FEAB CN1CCN(c2ncccc2CNC(=O)NCCc2cccc(F)c2)CC1 58368910 IIIXQSTWQBJMLZ-UHFFFAOYSA-N 371.460 2.014 0 40 FEAB CC(C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(F)cc1 58183145 NEDACDLPYGGWCS-HNNXBMFYSA-N 363.476 2.019 0 40 FEAB Fc1ccccc1-n1nc(-c2nc([C@H]3COCCN3)no2)c2c1CCC2 96001441 ZASAXNUEUMHNAK-CYBMUJFWSA-N 355.373 2.211 0 40 FEAB Cc1nc2cc([C@H]3CCCN(C(=O)c4ccccn4)C3)nn2c(O)c1C 12134240 BWXKNFHEFGACNW-AWEZNQCLSA-N 351.410 2.467 0 40 FEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 12544880 DVFAMNDLNWEQIE-UHFFFAOYSA-N 368.480 2.484 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)OC 15013241 ZYIWWQUQGMDNDF-MDWZMJQESA-N 351.380 2.303 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 16248466 VFLFERUOFPYHAA-UHFFFAOYSA-N 350.362 2.316 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCc3cc(=O)[nH]c(-c4cccnc4)n3)ccc2O1 19498001 HQMIXOJPUMQKEL-GFCCVEGCSA-N 362.389 2.085 0 40 FEAB CCOCc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)ccc1OC 19531182 AANUFRDXTAHWOP-UHFFFAOYSA-N 357.454 2.224 0 40 FEAB CN(C)CCn1nc([C@@H]2CCN(C(=O)c3ccccn3)C2)c2cccnc21 19583268 VNXFTKFDEPBMJP-OAHLLOKOSA-N 364.453 2.018 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 19710995 JEZUEDSCZKXCTR-AWEZNQCLSA-N 372.473 2.163 0 40 FEAB C[C@@H](c1cc(=O)[nH]c(NC2CCCC2)n1)n1ncc2ccccc2c1=O 19717935 QUFALFXTHPIVEE-LBPRGKRZSA-N 351.410 2.444 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 169680692 QNGZHUIMYNMKNW-FVQBIDKESA-N 353.397 2.378 0 40 FEAB CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 606362425 IFYQWPCRQKGFDA-OAHLLOKOSA-N 370.453 2.400 0 40 FEAB Cc1ncc(CC(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)s1 575414928 QNHDEKDAOOMWEN-CQSZACIVSA-N 370.521 2.444 0 40 FEAB O=C(Cn1cnnn1)Nc1ccc(Br)c(C(F)(F)F)c1 14662509 GNBIOZNWUZBCMM-UHFFFAOYSA-N 350.098 2.093 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cnc[nH]3)CC2)CN1c1ccc(F)cc1 2037839963 GTBJPBKOUSVTBE-IBGZPJMESA-N 358.417 2.337 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1F 2086968274 MDFMKAGUYQEXJR-OKILXGFUSA-N 368.460 2.338 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)N(CCO)Cc3ccccc3)CC2=O)cc1 4359957 PAYPBPHMLKFNSS-SFHVURJKSA-N 367.449 2.304 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NC3CC3)cs2)cc1 16848630 HRVGGSZYGVZIRE-UHFFFAOYSA-N 365.480 2.464 0 40 FEAB CN([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)S(=O)(=O)C1CC1 2086889287 BKCFZIUEJGXWCL-NSHDSACASA-N 363.405 2.493 0 40 FEAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 585146947 XQUSEXQUEVTWPH-QGZVFWFLSA-N 352.500 2.428 0 40 FEAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(F)cc2)n2nnnc2N1 950941 UANALRJJMLNHFK-HNNXBMFYSA-N 351.345 2.135 0 40 FEAB Cc1ccc(C(=O)NC2CCN(c3cn[nH]c(=O)c3Cl)CC2)s1 50954798 LZMRYTJRIPSXHQ-UHFFFAOYSA-N 352.847 2.192 0 40 FEAB CN(CCOc1cccc(Cl)c1)C(=O)c1sccc1S(N)(=O)=O 32857716 GCWHMOHIBZZUOS-UHFFFAOYSA-N 374.871 2.200 0 40 FEAB Cc1cc2n(CC(=O)Nc3ccnn3C(C)C)c(=O)c3ccccc3n2n1 32810250 KSGZDIFMNQBWGL-UHFFFAOYSA-N 364.409 2.374 0 40 FEAB CC[C@@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCc2ccccc2C1 32825769 UXACIDJFPHEHTR-IBGZPJMESA-N 365.543 2.390 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 12377739 CJWNRZVRQCFWAU-ZAPJKBGESA-N 363.410 2.330 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1F 8935374 SBDVWYBTMXXVMD-CQSZACIVSA-N 367.402 2.222 0 40 FEAB CC(C)CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 1470763 IDTGGOXMCMDFKT-UHFFFAOYSA-N 352.334 2.038 0 40 FEAB COc1cc(C(=O)NC(=S)Nc2cc(C)on2)cc(OC)c1OC 3182626 CXODCEBPSVMYOJ-UHFFFAOYSA-N 351.384 2.136 0 40 FEAB CN(C(=O)COc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 4392115 PXCOPNLJUIIQNT-QGZVFWFLSA-N 359.447 2.378 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 10390937 OAYAYKYPTKHUJI-UHFFFAOYSA-N 373.434 2.437 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OC(C)C)c2)c1 57037700 WCIBJQRJQOTJBJ-UHFFFAOYSA-N 362.451 2.312 0 40 FEAB COCCN(Cc1ccco1)C(=O)Cc1csc(NC(=O)C2CC2)n1 25097366 NPUBYHITQNYDEQ-UHFFFAOYSA-N 363.439 2.302 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(C(C)C)no2)nc1N 26250411 WURQHXZHMZLYFU-UHFFFAOYSA-N 365.415 2.078 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 95349560 NLWVDAIGRBJIGJ-QGZVFWFLSA-N 372.465 2.371 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCCCCC2)cc(OC)c1OC 3288595 GNZWJVLITPIELM-UHFFFAOYSA-N 351.399 2.272 0 40 FEAB CCOC(=O)[C@@H](C)Oc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 2093941 JFPDFNOZNGFYKE-GFCCVEGCSA-N 362.378 2.456 0 40 FEAB biogenic COc1ccccc1C(C)(C)CNS(=O)(=O)c1c(C)nn(C)c1C 58192369 WDRBNKJIRBCTIS-UHFFFAOYSA-N 351.472 2.302 0 40 FEAB CC(C)(CNC(=O)CCC(=O)N1CCOCC1)c1cccc(Cl)c1 58281729 YYISMTOZAVIWHC-UHFFFAOYSA-N 352.862 2.373 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)O)CC3)c(=O)oc2c1C 2154742 BEJVSHYMXWTLNB-UHFFFAOYSA-N 373.405 2.284 0 40 FEAB biogenic CCOC(=O)C[C@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@@H]3CC(=O)OCC 2268628 BLLOUEOOKLDRST-ZIAGYGMSSA-N 362.334 2.016 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102084302 GFPJPVZTFFRJSX-CLJXZBEYSA-N 350.418 2.241 0 40 FEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 58923997 PWTQVCRACDLREC-SJORKVTESA-N 350.484 2.207 0 40 FEAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 11187140 OWGXGUBSOVJWCX-UHFFFAOYSA-N 370.478 2.228 0 40 FEAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c1 101271017 JLKJBHYKUVVEPL-JKSUJKDBSA-N 370.340 2.341 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1 48363784 MLZNPRILQZCSMQ-CQSZACIVSA-N 354.410 2.412 0 40 FEAB Cc1c(CC(=O)NC[C@H](O)c2ccccc2)c(=O)oc2cc(O)ccc12 4088567 GPMHQISNBQJLJY-KRWDZBQOSA-N 353.374 2.199 0 40 FEAB biogenic O=CN1CCN(C(=O)CCn2ccc3cc(Br)ccc32)CC1 13689993 ZWOKCOCWMNYPMN-UHFFFAOYSA-N 364.243 2.095 0 40 FEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCc1cccnc1 5244782 HZPYLSUCMUBIIQ-UHFFFAOYSA-N 350.374 2.372 0 40 FEAB COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 9304279 QGGJKEIGNIRZBE-UHFFFAOYSA-N 366.826 2.145 0 40 FEAB CNC(=O)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 9368261 FCFBWGTYOPBYOT-UHFFFAOYSA-N 353.300 2.369 0 40 FEAB COc1ccc(N2C(SCC(C)C)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 6673374 WHULVTWIIUXAGF-LSDHHAIUSA-N 354.497 2.426 0 40 FEAB COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccccc1C(N)=O 4734397 ROSUIDQWZNIQRN-ZHACJKMWSA-N 355.419 2.321 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 9548309 YEFYYYHUKPUFOW-CYBMUJFWSA-N 368.389 2.473 0 40 FEAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 7975494 KTNRCMPGDBZBPQ-SNVBAGLBSA-N 351.255 2.051 0 40 FEAB O=C(O)CCCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8191087 KEBBUDXXRCAKBD-UHFFFAOYSA-N 365.389 2.039 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCC2)cc1 16790315 ANUXVZBHSMGEOA-IAGOWNOFSA-N 353.422 2.177 0 40 FEAB Cc1sc(NC(=O)COCC(=O)O)c(C(=O)NC2CCCCC2)c1C 17075570 HVKXVYYZJXAWFB-UHFFFAOYSA-N 368.455 2.467 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1F 20105747 UHFBPYMFOCYBRM-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB CC(C)n1nccc1[C@@H]1CN(CC2CCCCC2)C[C@@]12OCCNC2=O 306137574 RAFYDELPLKKJTB-FXAWDEMLSA-N 360.502 2.329 0 40 FEAB Cc1nc(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 72289095 JARQMXPKDCRERZ-UHFFFAOYSA-N 368.363 2.482 0 40 FEAB CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CCS(=O)(=O)C2 95947136 WEMMCQVKKZKVFV-UHFFFAOYSA-N 357.453 2.134 0 40 FEAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ccoc2)n1 95953397 SUKKHADFJKFRNJ-UHFFFAOYSA-N 361.345 2.496 0 40 FEAB COc1ccc(CN(C)C(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 408622088 AQDKCUHGISQZRW-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1 9958932 MLQBXMVIVIIKIT-UHFFFAOYSA-N 360.381 2.058 0 40 FEAB O=C([C@H]1CCn2ccnc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 89774626 XFUQDWPTEBHMEV-INIZCTEOSA-N 358.873 2.443 0 40 FEAB COc1ccc(Cl)cc1CC(=O)N1CCC(c2nnc(O)o2)CC1 519546906 DLXXSHMXYPRDKU-UHFFFAOYSA-N 351.790 2.386 0 40 FEAB Cc1noc(C2(NC(=O)Nc3cnc4c(c3)CCCC4)CCOCC2)n1 529054522 JBDRUILTJAIDGH-UHFFFAOYSA-N 357.414 2.479 0 40 FEAB COC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 408630165 OPNDLAKLHBCADF-AWEZNQCLSA-N 362.451 2.276 0 40 FEAB CCCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38858963 BUGKFOJPPREZEY-AWEZNQCLSA-N 360.863 2.173 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccsc1 25330827 AABIXJWHJZFNDC-MRXNPFEDSA-N 366.508 2.325 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 35088661 YYURVCYQHWNCOP-ULQDDVLXSA-N 356.507 2.353 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@H](Oc3cnccn3)C2)cc1OC 225476286 YUAPPFXZJUESQT-HNNXBMFYSA-N 372.425 2.247 0 40 FEAB CCc1cc(S(=O)(=O)Nc2ncc(C)s2)ccc1OCC(=O)OC 226687611 FGJCFHJDKVRUQD-UHFFFAOYSA-N 370.452 2.367 0 40 FEAB COc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 95101353 HVZJRELUYWVPSK-ZSZQSSIHSA-N 360.410 2.131 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96047317 LEEYXGQEAYECHX-UHFFFAOYSA-N 365.437 2.030 0 40 FEAB CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nc[nH]n1 95498542 CCDYBGJOSPVDLY-INIZCTEOSA-N 359.449 2.361 0 40 FEAB CCOC(=O)CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)OCC 521825366 JRTWZRWHIVAPAM-INIZCTEOSA-N 360.410 2.102 0 40 FEAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C(=O)C1CCOCC1)C2 247850429 VGLGVZBYHCIRHC-GOSISDBHSA-N 360.454 2.093 0 40 FEAB CS(=O)(=O)N1C[C@H]2CN(Cc3ccco3)CC[C@@]2(c2ccccc2)C1 247521283 LQAHJYLESBGUBN-MJGOQNOKSA-N 360.479 2.315 0 40 FEAB COCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@@H]2COC 247823470 DSQZOTNEQYHLGM-MRXNPFEDSA-N 352.500 2.082 0 40 FEAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCC(=O)O)CCO2)n1 257215895 CSBYUANRUDWLAK-MRXNPFEDSA-N 373.409 2.372 0 40 FEAB CCO[C@H]1C[C@@](O)(CNc2ncc(C(=O)N(C)C)cc2Cl)C1(C)C 682722607 FZKWOMPYCKBTLD-SUMWQHHRSA-N 355.866 2.415 0 40 FEAB Cc1oc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640867590 UZMRLWLRNBBZTG-RTXFEEFZSA-N 357.248 2.068 0 40 FEAB COc1ccccc1[C@H](NC1CCN([C@H]2CCOC2)CC1)c1noc(C)n1 655744347 YEWFZIQSBQOBOB-LPHOPBHVSA-N 372.469 2.319 0 40 FEAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C12CC3CC(CC(C3)C1)C2 677816308 NBUOGIZDIGAIRK-IWERZKIRSA-N 363.483 2.064 0 40 FEAB C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1 585097504 KOPCBZRZCXCLKI-HNNXBMFYSA-N 350.426 2.094 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@]12CCCN(C[C@H]1CCCO1)CC2 585099938 AMFOTJBMCWZBGT-QAPCUYQASA-N 364.515 2.486 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109670 ZFHPYAXAPLTDAF-BRWVUGGUSA-N 356.447 2.294 0 40 FEAB COc1ccc(CCNC(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1 1565522066 AWJVAWQWRZEBTM-QGZVFWFLSA-N 363.527 2.461 0 40 FEAB Cc1cc(C)nc(SCC(=O)N[C@H](C)Cn2c(=O)oc3ccccc32)n1 12142013 KQKZLJZLUMKVJT-CYBMUJFWSA-N 372.450 2.298 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3c4ccccc4C[C@@H]3C)n2)o1 12182890 DADZNLVSGMKOGB-LBPRGKRZSA-N 364.405 2.372 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 13574984 VCHIEKONPXTXBN-JFHCMYTQSA-N 367.449 2.020 0 40 FEAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CCCCO1)C2 19017307 MDRGVBQKAGQHMV-MSOLQXFVSA-N 372.469 2.004 0 40 FEAB O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CC(=O)N(Cc2ccccn2)C1 19401457 MMVMNHOPSAGBHG-KRWDZBQOSA-N 365.433 2.072 0 40 FEAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2nnc3n2CCNC3)cc1 19705516 GPRZMJMDDGQWEL-MRXNPFEDSA-N 369.469 2.031 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3CCc3ccccc3)n2CC1 19710745 HWGITLNXSXFBKW-GOSISDBHSA-N 353.470 2.062 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(CCc2ccccc2)C3)C1 19711103 HUMBEVCHUUJGLO-SFHVURJKSA-N 353.470 2.062 0 40 FEAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(Cc3ncc[nH]3)CC2)n1 19756558 JWKVVAIZOGVZEW-UHFFFAOYSA-N 370.501 2.270 0 40 FEAB O=C([C@@H]1CCOC1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864222 ULPRSIITODYPAM-MRXNPFEDSA-N 370.453 2.261 0 40 FEAB O=C([C@@H]1CN(c2ncc(Cl)cc2Br)CCO1)N1CCCC1 1888910374 SZHWVKDBRUGMEN-LBPRGKRZSA-N 374.666 2.325 0 40 FEAB CCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccc(OC)nn1 24485656 XGYDOIMIQKNSQG-UHFFFAOYSA-N 353.382 2.494 0 40 FEAB Cc1cc(CN2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)n(C)n1 2055751197 TZLUZDNJWDTQAC-UHFFFAOYSA-N 355.486 2.263 0 40 FEAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCc1cccnc1 23230973 ZCOVPIUTWZXKGO-UHFFFAOYSA-N 354.797 2.275 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1c(F)cccc1F 10254224 AYWFMPWOXFSGFL-UHFFFAOYSA-N 373.315 2.065 0 40 FEAB COC(=O)c1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 5982189 OQEJHUPUIZDSNN-UHFFFAOYSA-N 352.346 2.283 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccco2)cc1 40159924 WONRUQBVISHHPF-QGZVFWFLSA-N 362.451 2.400 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCN(C[C@@H]2CCCO2)CC1 40120299 VOYUYUXVATXXAB-AWEZNQCLSA-N 357.376 2.427 0 40 FEAB COC(=O)c1ccc(F)c(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 32760294 FCWOPJLVWLSZKW-UHFFFAOYSA-N 369.356 2.213 0 40 FEAB COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102771776 ONCVVKFNOYYXMR-VBNZEHGJSA-N 373.405 2.080 0 40 FEAB O=C(CN1CCC[C@@H](C(=O)NCC2CC2)C1)NC1(c2ccccc2)CCC1 52932606 UWVCGQAWMAJHQT-GOSISDBHSA-N 369.509 2.420 0 40 FEAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCNC1=O 22037194 NPYPYBUMTRPDFT-NSHDSACASA-N 355.394 2.144 0 40 FEAB COc1ccc(OC)c(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 53347394 SXRHSVOOBLFFQY-OAHLLOKOSA-N 372.421 2.004 0 40 FEAB O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 663832 CHMWSDROSQPPCY-UHFFFAOYSA-N 369.240 2.366 0 40 FEAB COC[C@@H](C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 22624493 VCVHECUXFBWXKU-SNVBAGLBSA-N 363.464 2.338 0 40 FEAB O=C(Nc1cccnc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992915 UYPWVWHKONPWGR-JTQLQIEISA-N 357.805 2.256 0 40 FEAB CCOC(=O)[C@@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 1840118 OBCVGBRLAUAQIP-IBGZPJMESA-N 355.390 2.193 0 40 FEAB NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2556690 NNAVHDLGFPHCOB-KRWDZBQOSA-N 370.405 2.290 0 40 FEAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)CN(C)C(=O)c1cccs1 72309941 IDKOJHYHHYXDDX-HNNXBMFYSA-N 374.462 2.111 0 40 FEAB C[C@@H](NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1)C1CC1 7499070 MWLYZKGJGPZDKI-SECBINFHSA-N 350.220 2.017 0 40 FEAB C[C@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl 24985846 SUFKYODULPCZDC-YVEFUNNKSA-N 373.840 2.270 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(c2cccc(F)c2)=NO1 84549319 ZSEDOMPJGXNPRR-YJBOKZPZSA-N 367.380 2.240 0 40 FEAB Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)no1 48026173 JZSAACHMZKLCDH-AWEZNQCLSA-N 371.393 2.447 0 40 FEAB CC(C)(C)N1C[C@H](NC(=O)COc2ccc(Br)cc2)CC1=O 72309348 DQVSGUGEHROACI-GFCCVEGCSA-N 369.259 2.344 0 40 FEAB Cn1nccc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108532891 PAAPQWNEJHDVMJ-WBVHZDCISA-N 352.429 2.326 0 40 FEAB O=C(C1CCN(Cn2nc(-c3ccccc3)ccc2=O)CC1)N1CCCC1 57085665 YWZQGMHLQBYVTN-UHFFFAOYSA-N 366.465 2.202 0 40 FEAB Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c2c(=O)[nH]n(C)c2n1 58130286 YMKRVPJULONNOM-INIZCTEOSA-N 373.501 2.056 0 40 FEAB COc1ccc(CC(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1 58193533 VAOPTPOGRYCNIF-AWEZNQCLSA-N 370.453 2.404 0 40 FEAB CCN(C)Cc1cccc(CNC(=O)C2CCN(c3ncccn3)CC2)c1 58208856 SSGLNTCXYQZVBK-UHFFFAOYSA-N 367.497 2.461 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1 3372869 YXDUEEQYUOJFME-GOSISDBHSA-N 357.435 2.140 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)Cc1ccccc1F 58332611 JHDBPGMICOFFTH-CQSZACIVSA-N 361.417 2.127 0 40 FEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC[C@@H]2CCCO2)CC1=O 58404941 FSKJDMDDAMANRP-JSGCOSHPSA-N 366.845 2.387 0 40 FEAB CC(C)[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1cccs1 11154685 SPOWYJQQJNTFMK-AWEZNQCLSA-N 363.468 2.066 0 40 FEAB c1ccc2c(c1)nc1n2[C@]2(N3CCOCC3)CCC[C@H]2[C@H]1N1CCOCC1 103943493 DDVCADSEIQHMPX-LDQXTDLNSA-N 368.481 2.208 0 40 FEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCCC1 29569064 RHWNHWNGGADMRP-UHFFFAOYSA-N 364.467 2.450 0 40 FEAB N=C(NC1=N[C@H](CC(=O)Nc2ccccc2F)C(O)=N1)Nc1ccccc1 22607368 UUMFREOVIAUSSB-CQSZACIVSA-N 368.372 2.485 0 40 FEAB Cc1c(C(=O)COC(=O)CCN2C(=O)NC(C)(C)C2=O)oc2ccccc12 24871214 VADUXTKHIZYWDT-UHFFFAOYSA-N 372.377 2.188 0 40 FEAB CC1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 20110298 KYHVEDDWTMMALC-OAHLLOKOSA-N 372.874 2.126 0 40 FEAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cn1 3542627 VRRIFKQFYHTBGH-HNNXBMFYSA-N 357.410 2.422 0 40 FEAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 13113082 ZDXVCCJGRAFYRJ-UHFFFAOYSA-N 355.803 2.169 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1 49551271 MSYVBRQKSQUDCW-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB COc1ccc(-c2nc(CC(=O)NCCc3c[nH]cn3)cs2)cc1OC 13692515 GSUIXJBZKMDUAY-UHFFFAOYSA-N 372.450 2.452 0 40 FEAB CN(Cc1ccccc1)C(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 5183431 HUCCUNZUMZDABG-UHFFFAOYSA-N 368.462 2.390 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(Cl)c1 4334264 PCGHATIQFVQMFB-UHFFFAOYSA-N 368.773 2.262 0 40 FEAB O=C1N[C@@H](CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 5389161 RHVYAEILQRLGIX-KRWDZBQOSA-N 353.397 2.349 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1cc(C)cc(C)c1 14181921 JTFGMVIPYNQRMH-IBGZPJMESA-N 352.434 2.382 0 40 FEAB O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(C(=O)O)cc1 4539283 MRNHZZIISVPZQS-UHFFFAOYSA-N 373.369 2.230 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 9366509 RAALHIVJUWPWCA-UHFFFAOYSA-N 353.422 2.477 0 40 FEAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc1 5562276 NSGULKIKEVLTKM-CQSZACIVSA-N 361.442 2.062 0 40 FEAB CCc1ccccc1NC(=O)CSc1nnc(-c2nonc2N)n1CC 4936797 QBNVYWHNCGZVQA-UHFFFAOYSA-N 373.442 2.223 0 40 FEAB C[C@@H]1CN(CCCCNCc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 67452543 LMUDIUAZJNXEKH-IAGOWNOFSA-N 357.502 2.461 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 7425947 FVKAKCWXJOPTLE-UHFFFAOYSA-N 374.356 2.194 0 40 FEAB CCN(Cc1ccccc1C)C(=O)c1cc(C)c2c(=O)[nH]c(O)nc2n1 81247966 QNSGOTFGPNIGSA-UHFFFAOYSA-N 352.394 2.303 0 40 FEAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCCCCC1 8133681 IWJJYMMOYLPEJE-UHFFFAOYSA-N 357.454 2.382 0 40 FEAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(N(C)CC(C)C)cc1 70038413 ZWESHSLVHRJODT-UHFFFAOYSA-N 369.531 2.180 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4cccnc4)no3)C2=O)cc1 8707145 GSCOANHYUFNLIO-IBGZPJMESA-N 363.377 2.407 0 40 FEAB Cc1ccc(CCCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 9885620 GAXZEWYJPXGFCX-UHFFFAOYSA-N 357.454 2.217 0 40 FEAB CN1CCN(C(C)(C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 73155437 WNYJVIKXKNBQIN-UHFFFAOYSA-N 364.921 2.015 0 40 FEAB COC(=O)C[C@H](NCC(=O)NCc1cccc(OC)c1)c1cccs1 95941216 BEEHZKQQSOIEPX-HNNXBMFYSA-N 362.451 2.267 0 40 FEAB Cc1ccc2[nH]c(C)c(/C=c3\sc4nc(C)c(C)c(=O)n4c3=O)c2c1 409046396 KBUOHVVGRVHORC-PXNMLYILSA-N 351.431 2.379 0 40 FEAB Cc1cccc(OCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 56997286 YKSTYAROVLBSIY-UHFFFAOYSA-N 371.456 2.451 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](c4ccsc4)C3)cc21 670868262 KIIZPNYAVCZTEH-NSHDSACASA-N 364.448 2.371 0 40 FEAB CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)C[C@@H](Cc2ccccn2)C1 72353556 CZBRRSZYLRWBMZ-SFHVURJKSA-N 369.440 2.313 0 40 FEAB CCn1nc(C)c(S(=O)(=O)NCC[C@@H](C)n2nc(C)cc2C)c1C 36614545 AKGBRSIVJCAXQD-GFCCVEGCSA-N 353.492 2.263 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 225451561 FCGWFHVSEUVQKB-UHFFFAOYSA-N 366.468 2.274 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 223276997 WCYNBMBCGCYISM-UHFFFAOYSA-N 372.805 2.405 0 40 FEAB O=C1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)n2c(nc3ccccc32)N1 49543749 JIGIJDIBZWWDQW-CQSZACIVSA-N 350.334 2.257 0 40 FEAB biogenic Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOCc1ccccc1 224076835 JIFOAXVUMUXFKJ-UHFFFAOYSA-N 362.451 2.313 0 40 FEAB CCOC[C@@H]1CN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CCO1 529064344 PCSAGCLCNCPDSX-NSHDSACASA-N 368.484 2.266 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCC(C)C 224596526 UJGPRFIHJSNQND-UHFFFAOYSA-N 368.499 2.185 0 40 FEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1nccn1 618254968 ISJPRKDLJIKTBP-GFCCVEGCSA-N 360.361 2.150 0 40 FEAB c1ccc2nc(CN3C[C@@H]4COC[C@]4(CN4CCOCC4)C3)ccc2c1 96208240 MDTBDFPRKWGDMQ-NQIIRXRSSA-N 353.466 2.015 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)NC1CCCCC1)C2 96227587 RTJLCNHEZKEPRE-XLIONFOSSA-N 356.470 2.452 0 40 FEAB N[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648544 QYYFDYJFNAXTSX-SQWLQELKSA-N 369.801 2.201 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242390293 AIYHUHUOFRKZPS-JZXOWHBKSA-N 363.410 2.026 0 40 FEAB NC(=O)c1cnc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cn1 585083476 OQEONNLLPOUSLT-ZDUSSCGKSA-N 368.315 2.052 0 40 FEAB CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)c1 257285715 PILJBNGFKBBOCE-AWEZNQCLSA-N 353.469 2.255 0 40 FEAB Cn1c(=O)oc2cc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)ccc21 257302712 SDZFEKNWKBOUFY-UHFFFAOYSA-N 373.453 2.351 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257307058 SXAQCNWDPUUEGA-QWFCFKBJSA-N 357.454 2.057 0 40 FEAB Cc1cc(N(C)C2CC3(CCN(C(=O)c4cnc(C)nc4)C3)C2)ncn1 257247958 JBJCSRIZCVJBDS-UHFFFAOYSA-N 352.442 2.015 0 40 FEAB COc1ccccc1CC(=O)N1CCOC[C@@H]1CCc1nccnc1C 257324693 WPSPCPBXYMFIKF-KRWDZBQOSA-N 355.438 2.196 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)on1 253600806 ZXHQTLOXOCJWLM-CQSZACIVSA-N 352.456 2.126 0 40 FEAB CCc1noc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc(C)n3)C2)n1 257311726 UKTOTXPYMVKCRR-OAHLLOKOSA-N 357.458 2.395 0 40 FEAB Cc1noc(C)c1-c1nc([C@H]2CCCN(CC(=O)N(C)C)C2)ccc1CO 257320732 VYHSTZQWDUECMD-HNNXBMFYSA-N 372.469 2.113 0 40 FEAB COc1ccc(F)c(C(=O)NC[C@H]2CC[C@@H](c3n[nH]c(C)n3)O2)c1F 1775957779 NCAZHHKGNZOZFW-SKDRFNHKSA-N 352.341 2.050 0 40 FEAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C)c2)C1 624181358 MGQIJTYSLRHXLV-CABCVRRESA-N 353.488 2.027 0 40 FEAB CN1C(=O)CCc2cc(C(=O)NC[C@@H]3CCCN3CC(F)F)ccc21 628618806 WVSWEAVELMIPNO-AWEZNQCLSA-N 351.397 2.055 0 40 FEAB COC[C@]1(C)CN([C@H](C(=O)O)c2cccc(Br)c2)CCO1 629378691 IAKGYKRUJHPCLG-ZFWWWQNUSA-N 358.232 2.312 0 40 FEAB COc1cc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cc2c1OCCO2 673481097 LMICXNXHLAJBOY-UHFFFAOYSA-N 357.410 2.284 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2ccc3nsnc3c2)OCCO)cc1 96337704 ACKNXDCZLOXFSF-QGZVFWFLSA-N 357.435 2.480 0 40 FEAB Cn1nnc2c1CC[C@H](NC(=O)Nc1cc(F)ccc1OCC1CC1)C2 585090775 HCCXLTXLODCXPB-ZDUSSCGKSA-N 359.405 2.422 0 40 FEAB CC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCc3cccnc3)C2)C1 585102953 MAVMLWRRDVVCQA-LDVNLBKXSA-N 357.498 2.425 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 69094410 JUFCBTGZEHCLGC-UHFFFAOYSA-N 370.478 2.080 0 40 FEAB O=S(=O)(N[C@@H]1CCn2nccc2C1)c1ccc(Br)s1 244947577 DMWGWJQGQVKLTQ-MRVPVSSYSA-N 362.274 2.000 0 40 FEAB O=C(CCc1nnc(-c2ccsc2)o1)NCCC(=O)Nc1cccnc1 58174330 AOPZSOCGJJYKAQ-UHFFFAOYSA-N 371.422 2.271 0 40 FEAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 11867256 WWWDAHVNLIIAGH-DZGCQCFKSA-N 354.406 2.125 0 40 FEAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(C)c1 16638835 HFFZNYDLYMUUIN-UHFFFAOYSA-N 356.488 2.321 0 40 FEAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1ccnn1C)C2 19289172 YRDOCEUCZHVXNC-LJQANCHMSA-N 355.438 2.422 0 40 FEAB O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19375458 HMSAMJJEWBXTRA-RTBURBONSA-N 364.449 2.100 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCN(C)C3)ncc2C1 19587983 MOAMJBIIPQMXJI-MRXNPFEDSA-N 366.465 2.032 0 40 FEAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CCNCC2 19710790 NRKGNABZKLQQHU-KRWDZBQOSA-N 371.460 2.249 0 40 FEAB Cc1nc(C2CCN(c3cnccn3)CC2)ncc1C(=O)N1CCCC1 19754813 VACSNIJELYMRPB-UHFFFAOYSA-N 352.442 2.195 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19767120 COSQYIHOOBWXSM-MRXNPFEDSA-N 360.458 2.157 0 40 FEAB O=C(O[C@@H]1CCN(c2nccs2)C1)N1CC[C@H](n2cc(C3CC3)nn2)C1 390832261 YGHPKIMGPGPKEG-UONOGXRCSA-N 374.470 2.274 0 40 FEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417099 PYVNHVSDBNFQAE-MEBBXXQBSA-N 366.849 2.488 0 40 FEAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(Br)o3)C2)nn1 1888843995 LDENECJJCVZGAN-UHFFFAOYSA-N 351.204 2.101 0 40 FEAB CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889116434 CNQUWQGMXHBKHV-UHFFFAOYSA-N 370.354 2.422 0 40 FEAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 18935290 BWUNEKUDKHQFCZ-GOSISDBHSA-N 373.478 2.282 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)no1 10333485 ITPLPNMZNOJNAE-KRWDZBQOSA-N 366.421 2.494 0 40 FEAB C[C@@H](NC(=O)C(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1 38717522 RJJLHHBXVLROKE-CYBMUJFWSA-N 350.378 2.230 0 40 FEAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(OCCOC(C)(C)C)nc1 225728127 GVXWZTCJVSBFIR-CQSZACIVSA-N 350.415 2.053 0 40 FEAB CCn1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 225724253 SRBCATPAESIDFJ-UHFFFAOYSA-N 368.363 2.111 0 40 FEAB CNS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccco2)C2CC2)c1 50781471 SBLKJKYWOKTNAU-UHFFFAOYSA-N 352.387 2.132 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc(-c2ccc(F)c(F)c2)cs1 32831594 FGUSUTYNIYLDRS-ZANVPECISA-N 370.402 2.238 0 40 FEAB CCc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1 32928302 ONEJNQKSCYSYSN-CYBMUJFWSA-N 362.451 2.160 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccco2)cc1 22191184 MUXVTEOHTFWYAZ-UHFFFAOYSA-N 364.467 2.356 0 40 FEAB CCN1C[C@@H](CN(C)S(=O)(=O)N2CCCCCC2)Oc2ccccc21 22514642 BSHYWAAJYTXLOY-MRXNPFEDSA-N 367.515 2.327 0 40 FEAB O=CN1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 12389560 PKIWWJFZOUWGOX-LXXRFIIISA-N 362.433 2.214 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 42108338 VLZPAOIOTDJBFV-SECBINFHSA-N 357.785 2.272 0 40 FEAB O=C1CCc2cc(OS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1 23043290 RBXMDERNAHAOMC-UHFFFAOYSA-N 361.375 2.110 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 23188517 GLNOIGVQTNDQMH-HNNXBMFYSA-N 357.454 2.412 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 4260631 KETYIKCWXGLFKY-SJORKVTESA-N 365.389 2.035 0 40 FEAB biogenic,in-vitro CCCCN(C(=O)CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23683295 BZVNFGZFSZJKJA-UHFFFAOYSA-N 372.469 2.346 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2c(C)noc2C)C1=O 24719501 DLRLIYLBHUVLIV-IBGZPJMESA-N 371.393 2.192 0 40 FEAB COC(=O)c1ccc(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12592224 YCOFABJNASLQHS-UHFFFAOYSA-N 367.405 2.433 0 40 FEAB C[C@H](N[C@H](C)CCN1C(=O)c2ccccc2C1=O)c1nnc2n1CCCC2 97162460 MXLJRKVHTYZNHD-KGLIPLIRSA-N 367.453 2.340 0 40 FEAB COc1ccccc1[C@@H](NCc1ccc(C(N)=O)cc1)c1nccn1C 55374005 JHQNDFUZIYRSCN-GOSISDBHSA-N 350.422 2.407 0 40 FEAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1 108062268 HQXBOADYQGICBX-CWRNSKLLSA-N 355.438 2.295 0 40 FEAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1 57352515 BLOOXJMUZBDDFD-GFCCVEGCSA-N 363.364 2.343 0 40 FEAB CC(=O)N1CCc2cc(C(=O)Nc3ccccc3NS(C)(=O)=O)ccc21 24892379 CJEXZGVVIKMMSH-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1c(F)cccc1F 48277340 SFBMBZMZYWGFDY-VIFPVBQESA-N 373.315 2.385 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 35973987 WDBVBJSUZAVXQC-UHFFFAOYSA-N 367.449 2.475 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 48286202 CTASWINLHHUELI-SFHVURJKSA-N 354.454 2.059 0 40 FEAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NC(N)=O 12751096 OIJLUGFWNRSILS-JTQLQIEISA-N 366.439 2.134 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)CN(C)[C@H](C)c2ccccc2)c2ccccc2O1 10101876 BMFAZEDIKAQUFV-DNVCBOLYSA-N 367.449 2.220 0 40 FEAB Cc1ccc(-c2nnn(CC(=O)NCCCOCc3ccccc3)n2)cc1 12749782 LIVHVUUWKXGOMO-UHFFFAOYSA-N 365.437 2.372 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O 3327429 DNWPAUWVUOSNBE-SECBINFHSA-N 358.268 2.478 0 40 FEAB in-vitro COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1OC 3308086 OMDZEBGRZHEJAZ-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(=O)[nH]1 95348472 QIESDTNFQUBJGT-UHFFFAOYSA-N 353.422 2.483 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)[C@@H](C)CCC3 2208466 DVJMJYPDURGUCX-JTQLQIEISA-N 372.498 2.379 0 40 FEAB COc1ccc(Br)cc1[C@H]1SCCN1S(C)(=O)=O 2200716 OLWRARLDJCZYKS-LLVKDONJSA-N 352.275 2.465 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc3c(s2)CN(C)CC3)c1 23608858 QEGGQTSSBKCZFU-UHFFFAOYSA-N 358.467 2.116 0 40 FEAB Cc1cccc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 36398715 YISPPZNYKHWGMB-GOSISDBHSA-N 352.438 2.371 0 40 FEAB O=C(OCn1nnc2ccccc2c1=O)c1ccccc1Br 2479394 SVXFQTQLIVTDCA-UHFFFAOYSA-N 360.167 2.369 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1N 11518903 GYDRGKYBJODELI-UHFFFAOYSA-N 370.434 2.240 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 12810803 CXXJVWFWZZBSPT-LBPRGKRZSA-N 353.440 2.084 0 40 FEAB CC1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)CC1 12855629 GZONIIHHIQEENM-HXUWFJFHSA-N 355.438 2.244 0 40 FEAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc(S(N)(=O)=O)cc1 3452207 BODARHYKWNNKCM-GFCCVEGCSA-N 350.465 2.304 0 40 FEAB O=C(CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCCO 8971742 WKZCCJQCFYGVLL-UHFFFAOYSA-N 363.483 2.048 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)c1 13252476 FTNBRTZTDYOUOR-UHFFFAOYSA-N 357.391 2.049 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1cc(OC)ccc1OC 71280277 NTBWSWCTSKYIHG-AWEZNQCLSA-N 373.409 2.246 0 40 FEAB COc1cccc(C[C@H](C)NC(=O)N2CCN(C3CCOCC3)CC2)c1 83226947 OTSKYFXPJSIZKW-INIZCTEOSA-N 361.486 2.132 0 40 FEAB Nc1nc(COC(=O)c2ccc(Cn3cncn3)cc2)nc2ccccc12 14148664 IAOFQECYBZZRIE-UHFFFAOYSA-N 360.377 2.209 0 40 FEAB O=C(NC[C@@H](O)C(F)(F)F)c1nc(OCC2CC2)c2ccccc2n1 96003985 NNIWDTMRVDHLIA-GFCCVEGCSA-N 355.316 2.072 0 40 FEAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2c(c1)OCO2 6610520 JGTJUFTVWCOFON-UHFFFAOYSA-N 352.346 2.209 0 40 FEAB COc1ccc(C[C@@H](C(=O)Nc2ccccc2C)c2nn[nH]n2)c(OC)c1 5711826 GYXQDZKTCOWCJU-OAHLLOKOSA-N 367.409 2.490 0 40 FEAB COc1ccc(NC(=O)C[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)cc1 9340246 ADRSISOZUWUSFJ-FQEVSTJZSA-N 367.405 2.032 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C 7005732 NPFWWRQHQMLQIQ-FQEVSTJZSA-N 367.405 2.484 0 40 FEAB CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCc2cccs2)c1 67358715 TXAPTDUQRPNKLN-LBPRGKRZSA-N 367.496 2.259 0 40 FEAB CN(C)c1cc(CNC(=O)Nc2ncn(Cc3ccccc3)n2)ccn1 69023398 KSSOJFYLKZBBFV-UHFFFAOYSA-N 351.414 2.109 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 8343748 NDAIWXAKSLKACX-WOJBJXKFSA-N 365.477 2.454 0 40 FEAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1cc(F)cc(F)c1 25808948 GIJDFYGUUBGQFE-INIZCTEOSA-N 373.359 2.457 0 40 FEAB CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 8508961 AYCMPJWQVGJFTL-QGZVFWFLSA-N 372.446 2.209 0 40 FEAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 89326610 DMVLAYXURLSFME-SECBINFHSA-N 350.362 2.145 0 40 FEAB CN(C)C1CCN(CCNC(=O)Cc2ccc(Br)cc2)CC1 75093840 WUEPNGTYFXGMNM-UHFFFAOYSA-N 368.319 2.134 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2CCOCC1CC1 306136120 PJXSNLNYRDQKJX-IEBWSBKVSA-N 357.450 2.424 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 1520939840 ATJZSPUCMSDYRK-AWEZNQCLSA-N 373.453 2.141 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccncc2C(N)=O)C1 519721129 HGPDITSYSPDWCW-JTQLQIEISA-N 353.348 2.317 0 40 FEAB CC[C@@H](CCNC(=O)c1nc2ncccn2n1)n1ccc(C(F)(F)F)n1 36618831 BJULPPLJAAQTHE-JTQLQIEISA-N 367.335 2.111 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218046815 WUDWCYMAKWHYLQ-JENIJYKNSA-N 359.447 2.195 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(O)c1)CC(O)=N2 71283448 GGVWNHKSANVTCU-JSGCOSHPSA-N 361.423 2.380 0 40 FEAB CC(C)(C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224419294 HHUCBGKTBHZBRX-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB CCCC[Sn](CCCC)(n1cncn1)n1cncn1 195909571 QDYAPYPNGCKULF-UHFFFAOYSA-N 369.061 2.308 0 40 FEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1noc(C(C)(C)C)n1 40153515 OQNXOYHERXNTFI-NSHDSACASA-N 352.460 2.208 0 40 FEAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3cccnc3)ccc21 225723838 CHCPVXQENYNXMV-UHFFFAOYSA-N 363.464 2.347 0 40 FEAB CN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(C)(=O)=O 46057997 RJTKKGJCHWDKQC-CYBMUJFWSA-N 368.480 2.206 0 40 FEAB COc1ccc(N2Cc3nc(=O)n(CCc4ccccc4)n3C2=O)cc1 40268084 WUPTZRAKKKZSOR-UHFFFAOYSA-N 350.378 2.284 0 40 FEAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccccc1 96519940 LONMSSTWYRDACA-IUCAKERBSA-N 360.600 2.092 0 40 FEAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccccc1 96044416 VWJJDEDZCHJYTD-GOSISDBHSA-N 355.438 2.354 0 40 FEAB CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(OC)cc1 96519928 CUPXCEPVBQBAEU-QWRGUYRKSA-N 357.653 2.451 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@H]2CCOCC1CC1 247800810 FSSGUTATWWHOMN-MRXNPFEDSA-N 359.422 2.463 0 40 FEAB CN(CC(=O)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1)Cc1ccccn1 257318626 VOSZRLCEQFHAMR-UXPWSPDFSA-N 366.465 2.224 0 40 FEAB CCc1nccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O 257322264 WFGGJBBSIMEJAO-PFRQMTDMSA-N 358.486 2.226 0 40 FEAB Cc1cccn2cc(C(=O)N3C[C@@H]4[C@@H](CC[C@H]4Nc4cnccn4)C3)nc12 257258945 KWEUUWUDJZSFDL-ARFHVFGLSA-N 362.437 2.395 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 257203824 ARUCXSGXCBRITF-CQSZACIVSA-N 366.425 2.187 0 40 FEAB Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N(C)Cc1cccc(O)c1 1605516926 XPKJCNQBLAXCIR-UHFFFAOYSA-N 351.410 2.390 0 40 FEAB CS(=O)(=O)c1cccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 648529216 PVNAAXRSYYRHDJ-LJQANCHMSA-N 356.447 2.186 0 40 FEAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1Cc3ccccc31)C2 671230799 YINDYKRRSMSPSI-GOSISDBHSA-N 370.474 2.162 0 40 FEAB CC1(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ccc(F)cn2)CCOCC1 1775996691 DXHKUKGXKMSKII-UKRRQHHQSA-N 363.433 2.052 0 40 FEAB O=C(NC1CCOCC1)N1CC[C@H](Oc2ccncc2Br)C1 1776001829 NDAMVRBGMUFHNH-LBPRGKRZSA-N 370.247 2.186 0 40 FEAB Cn1cc(-c2ncccc2C(=O)NCc2cn(C)nc2C(F)(F)F)cn1 612783663 JHQQLPVJYGNYHJ-UHFFFAOYSA-N 364.331 2.164 0 40 FEAB CCCOc1nc2ccccc2cc1/C=C/C(=O)NCCN(C)CCO 1634745426 WQHQEYVPNHDDKW-CMDGGOBGSA-N 357.454 2.077 0 40 FEAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC(N)=O)CCCO2)c1 585166778 GCTNUTBRGYRWIW-OAQYLSRUSA-N 368.433 2.055 0 40 FEAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106156 SVPVFJHBIZUGRV-OIISXLGYSA-N 373.497 2.287 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2N1 5035764 WOBYYVXDGDCTDA-UHFFFAOYSA-N 371.418 2.109 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 12932419 XWMNEZCXICFKIE-VIFPVBQESA-N 374.395 2.412 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc3ccccc3n1)C2 19376333 DECIPERJQYLAQE-UHFFFAOYSA-N 361.449 2.477 0 40 FEAB COc1c(C)cccc1C(=O)N1CCc2nnc([C@@H]3CCCN3C)n2CC1 19706300 OIVZKIBVDIPDJG-INIZCTEOSA-N 369.469 2.060 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 19908965 WSQUSIHWRZTCSS-UHFFFAOYSA-N 370.478 2.309 0 40 FEAB O=C(NCCOc1ccccc1)NCC1CCN(C2CCOCC2)CC1 225566406 TUFUYMGJFFPOTL-UHFFFAOYSA-N 361.486 2.256 0 40 FEAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCC[C@@H]1c1ccc(O)nn1 585124104 LTERMEFVSPHRSD-CYBMUJFWSA-N 374.832 2.203 0 40 FEAB NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccccc1Cl 36397964 LWLXMYVHUGSXDX-UHFFFAOYSA-N 354.815 2.395 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2F)cc1 2654456 OISWRNOPOJAZAA-UHFFFAOYSA-N 353.444 2.002 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 4308250 ZSCJZSAYJKOYEV-UHFFFAOYSA-N 369.324 2.057 0 40 FEAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)n[nH]c1=O 5966084 ZXPFPBQUYXLSPN-UHFFFAOYSA-N 356.835 2.374 0 40 FEAB Cc1cc(CCC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)ccc1F 1888853657 ICJOMHITZIBGNQ-CALCHBBNSA-N 354.429 2.452 0 40 FEAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4c3cnn4C)CC2)n1 1888897399 FLLNTXNKWCAMEV-UHFFFAOYSA-N 367.457 2.374 0 40 FEAB O=C([C@@H]1CCCN(c2ncnc3sc4c(c23)CCC4)C1)N1CCOCC1 14330871 XYBISFDWUABLMR-CYBMUJFWSA-N 372.494 2.255 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1OC 100039759 YJWKFEOPTCAJCT-QBXQWZBTSA-N 353.418 2.299 0 40 FEAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1OC 100049546 YTLUPIQXIOUUPD-DFEHZGFQSA-N 353.418 2.444 0 40 FEAB CC(C)NC(=O)[C@H]1OC2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 2056214934 SXRMSCJYAYMGHY-KRWDZBQOSA-N 368.437 2.137 0 40 FEAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2720238 PCDIXBMVMNEARL-UHFFFAOYSA-N 366.443 2.441 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)c(C)n23)n(C)c1=O 4250750 CENJBTPADGCAGQ-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 5221560 CUQQMXXMCTXKJU-CQSZACIVSA-N 370.405 2.248 0 40 FEAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NC1CCCCCC1 40072404 FEGRTHPEEFZDIE-UHFFFAOYSA-N 351.472 2.074 0 40 FEAB CCc1nn2c(=O)cc(CNc3cc(C(=O)OC)ccc3C)nc2s1 30493881 NNQXWGVFCGQADL-UHFFFAOYSA-N 358.423 2.421 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 32443506 PPOCILHACNWEOW-NSHDSACASA-N 367.393 2.089 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-n2cccn2)cc1 32851091 ACTJZQKEKUKZCC-UHFFFAOYSA-N 354.435 2.082 0 40 FEAB COCCNC(=O)c1ccc(Cl)c(NC(=O)COCC(F)(F)F)c1 102728129 MXMLPTDVXOCCAY-UHFFFAOYSA-N 368.739 2.234 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CCO1 79501581 WUDFVYCPBLMLAC-STQMWFEESA-N 352.866 2.420 0 40 FEAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccc(Cl)cc1 4984348 RCTOAUNADBQFJQ-UHFFFAOYSA-N 371.784 2.162 0 40 FEAB CCOc1cc(C(=S)N2CCN(C)CC2)cc(Br)c1O 6958626 PTCQMIKUENBENY-UHFFFAOYSA-N 359.289 2.476 0 40 FEAB CCn1c(NC(=O)CN2C(=O)COc3ccccc32)nc2ccccc21 10651271 UZBSGCZMVMDXFI-UHFFFAOYSA-N 350.378 2.420 0 40 FEAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3N3CCCN23)cc1 101170919 PIIKMQCNAYVOFR-CEXWTWQISA-N 363.417 2.231 0 40 FEAB CCOC(=O)/C=C1\S[C@@H](C)C(=O)N1CC(=O)Nc1cccnc1Cl 12528941 AMMXDMWSHIEPDI-PPLKPFPSSA-N 369.830 2.042 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12538685 BCUKBTQVZIJTGQ-IUODEOHRSA-N 369.387 2.126 0 40 FEAB COc1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1 54253907 NJJJKFFWBORTRP-SFHVURJKSA-N 354.406 2.451 0 40 FEAB N=c1c2nc(-c3ccsc3)[nH]c(=O)c2[nH]c(=O)n1-c1ccc(Cl)cc1 100944496 JKDOZIMSXYUMKF-UHFFFAOYSA-N 371.809 2.263 0 40 FEAB COc1cc(CN2C(=O)[C@@H](C)NC2=S)ccc1OCc1ccncc1 55179052 CLNOBOBHCONUTD-GFCCVEGCSA-N 357.435 2.274 0 40 FEAB CCCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489920 OHLHDIQLIGIJLM-UHFFFAOYSA-N 371.462 2.439 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 58172512 HNJXZNHWBQNLOM-UHFFFAOYSA-N 355.398 2.240 0 40 FEAB Cc1ccnc2nc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)nn12 58172662 RVVNSDHRSRINHU-ZDUSSCGKSA-N 357.439 2.316 0 40 FEAB COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nc(C)cs2)s1 44890896 ZRBRIYBUAPFVHE-UHFFFAOYSA-N 354.457 2.468 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)N(C)C)c1 20244646 MDGMUWGAIDSTST-UHFFFAOYSA-N 367.515 2.175 0 40 FEAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1 57669941 JNNVKHUJSOXLLC-MRXNPFEDSA-N 356.474 2.105 0 40 FEAB CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 50123488 OOAWYIDKIBWJMB-UHFFFAOYSA-N 352.843 2.277 0 40 FEAB COC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12770501 FJCNWCLUKXUJIQ-GFCCVEGCSA-N 358.394 2.231 0 40 FEAB C[C@H](C(=O)NCC1(c2cccc(Br)c2)CCC1)S(C)(=O)=O 58173950 XMBFXAIMNAUENR-LLVKDONJSA-N 374.300 2.420 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1 101916670 NOYPKTFHVOEILH-CDSWZMAWSA-N 356.809 2.332 0 40 FEAB CCOC(=O)N1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 28906376 QBNXMHXOADVINZ-SFHVURJKSA-N 365.449 2.413 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OC 20024745 CWCNBNIACPVTPJ-MRXNPFEDSA-N 374.462 2.411 0 40 FEAB COc1cc(OC)cc([C@@H](NC(=O)c2ccccn2)c2nccn2C)c1 29130520 RSSNWYFKBWLHHA-QGZVFWFLSA-N 352.394 2.352 0 40 FEAB CCCN(CC1CC1)C(=O)CSc1nnnn1-c1ccc(OC)cc1 2645087 NSGOFEAOBZNAAE-UHFFFAOYSA-N 361.471 2.412 0 40 FEAB CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1 12996970 MRXTZQNNSRIZHA-AZUAARDMSA-N 367.449 2.253 0 40 FEAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306137921 RKCGOBNGGGEQST-UHFFFAOYSA-N 373.501 2.019 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NCCCCOc1ccc(F)cc1 9154864 OEVIOWGJVHHKTC-UHFFFAOYSA-N 358.413 2.460 0 40 FEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc(C)cc3)[C@H]2C1=O 13692546 YIDOIDLIGUYRFT-NVXWUHKLSA-N 364.357 2.074 0 40 FEAB CC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 6186124 OWXPQQVBGPHDQQ-UHFFFAOYSA-N 357.284 2.298 0 40 FEAB CNc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)s1 14085057 GGPREJIBLOBYMO-ZDUSSCGKSA-N 374.495 2.311 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccsc1 14094815 FVPIIVWBRQZEBD-UHFFFAOYSA-N 355.393 2.322 0 40 FEAB COc1ccc(C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)cc1 14069344 LEDJUKVMBAZMKW-UHFFFAOYSA-N 351.406 2.265 0 40 FEAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccccc1 5423154 LWUBKUVKHKADFA-SFHVURJKSA-N 363.417 2.082 0 40 FEAB CCOC(=O)c1sc2nc(C)nc(N3CCC(C(N)=O)CC3)c2c1C 28725880 ZYAPTWLQIOFJIO-UHFFFAOYSA-N 362.455 2.187 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2Cc2ccccc2)on1 14567262 UIPVIXDCSPKFQH-LLVKDONJSA-N 359.411 2.035 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccn1 14899003 MYVCIGXIRVBJEA-UHFFFAOYSA-N 364.331 2.014 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1sc2ncn(C)c(=O)c2c1C 9537406 WZOXTJRSWTWNIU-UHFFFAOYSA-N 357.391 2.342 0 40 FEAB O=C(CSc1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 7883728 HNBOCSAGUPSRLS-UHFFFAOYSA-N 355.423 2.059 0 40 FEAB O=C(CNC1(CO)CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 69246998 GXKIMUYTXSYLTQ-FQEVSTJZSA-N 368.477 2.218 0 40 FEAB CCn1ncc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C 17075680 JBASWHALZMIENR-UHFFFAOYSA-N 368.890 2.376 0 40 FEAB O=C1O[C@@H](C(=O)NCc2ccc(N3CCCC3)nc2)Cc2ccccc21 23101643 QOFXKAOZBCYTCM-QGZVFWFLSA-N 351.406 2.080 0 40 FEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 8728009 LSMKLYKQIGWJMT-UHFFFAOYSA-N 364.405 2.372 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3sccc3c2=O)s1 8878847 YSGISURVRYMIEA-UHFFFAOYSA-N 361.448 2.081 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2cnc3ccccc3n2)c1 8849719 FZBIBVVLUYRSNQ-UHFFFAOYSA-N 367.361 2.443 0 40 FEAB Cc1noc(C)c1CN1CCC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 98211926 RKQNNNLJRQTVHD-HNNXBMFYSA-N 357.410 2.415 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)c1nc(C3CCCCC3)no1)CC2 89740858 MZYHQAOOABZPLN-SMDDNHRTSA-N 358.446 2.457 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC 113946618 KKBMTHCKYWMHQV-UHFFFAOYSA-N 366.414 2.063 0 40 FEAB C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956875 UBYDYCTYEIGTTB-DSZLRUIBSA-N 372.437 2.424 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 409226396 VSXPAIUZLAXITK-UHFFFAOYSA-N 364.357 2.220 0 40 FEAB COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 33570596 FYHQKFQVJFDNQZ-UHFFFAOYSA-N 353.422 2.335 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(C)no4)CC3)n[nH]2)cc1 523159941 DNYJQWXKTPSBOR-UHFFFAOYSA-N 366.425 2.035 0 40 FEAB COCCc1noc(CC2CCN(c3ccnc4c3c(C)nn4C)CC2)n1 528116970 CTSOSAYCVDFSSW-UHFFFAOYSA-N 370.457 2.308 0 40 FEAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369999 LYOCQLNECRGARQ-UHFFFAOYSA-N 369.425 2.248 0 40 FEAB biogenic CCOC(=O)C1CCN(C(=O)c2cc(Sc3ncccn3)ccn2)CC1 72243496 FGZBDXHAQOORBM-UHFFFAOYSA-N 372.450 2.438 0 40 FEAB Cc1cccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 219016847 HZJZFMRRVJADPF-HDICACEKSA-N 354.450 2.385 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)C(=O)O)cc1 218627495 ANFAEMZBMOTOPN-JFIYKMOQSA-N 363.410 2.104 0 40 FEAB Cc1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225811017 KSWOOVPZICYBFM-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOC[C@H]1c1ccccc1 329618339 SWBPRSJFZCNNFN-ROUUACIJSA-N 354.406 2.463 0 40 FEAB Cc1cc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)no1 48235201 MDQZRJCQKGYDGV-UHFFFAOYSA-N 356.455 2.214 0 40 FEAB Cc1nc(C)n(C[C@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CCO2)n1 571778065 JRQXHYYOKANKNC-CQSZACIVSA-N 374.445 2.458 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1ccc2ncsc2c1 225773255 MPRGSJSNVLNACB-UHFFFAOYSA-N 356.432 2.498 0 40 FEAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1 225493544 KPGPAMMRUMNQSF-CQSZACIVSA-N 367.409 2.125 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccccc1F 224166485 UDSKMGXUUYALQU-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB COCCCNC(=S)Nc1nc(C)cc(Sc2ncccn2)n1 225902186 SRMJQRZJGUHVMS-UHFFFAOYSA-N 350.473 2.049 0 40 FEAB C[C@H]1CCCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 224324145 OCDXZWJZYKWSDX-ZDUSSCGKSA-N 358.891 2.360 0 40 FEAB O=S(=O)(NCc1noc(-c2cccc(F)c2)n1)N1CCCCCC1 333415363 HDVJAIFSBDKWMJ-UHFFFAOYSA-N 354.407 2.086 0 40 FEAB CN(Cc1cccnc1)C1CC2(CCN(C(=O)c3ccnnc3)CC2)C1 96159252 XVLNXUHTHVSKSF-UHFFFAOYSA-N 351.454 2.388 0 40 FEAB CN(C)C[C@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)C1CC1 248143166 UTNKAJWVAABOBW-MOPGFXCFSA-N 357.498 2.212 0 40 FEAB O=C(c1cccc2c1OCCO2)N1Cc2cncn2[C@H](COCC2CC2)C1 247961786 XWJQGHJPYSUDJO-INIZCTEOSA-N 369.421 2.278 0 40 FEAB O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccsc2)Cc2cncn21 247459437 AGWWSPASGXWSJH-KRWDZBQOSA-N 360.483 2.044 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccnn2C)C3)n1 248076004 ZBROVVSVVVGXKB-OAHLLOKOSA-N 358.467 2.040 0 40 FEAB Cc1ncsc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257301975 SAVSXYBHMTZZQI-GFCCVEGCSA-N 352.485 2.123 0 40 FEAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257226365 FKIVBIFWYXSEFG-SFHVURJKSA-N 352.425 2.314 0 40 FEAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 257224589 FCKWISQEMXYJGH-HXUWFJFHSA-N 372.421 2.324 0 40 FEAB CN1CCN(C(=O)c2cnco2)C[C@@H](Cc2cncc3ccccc23)C1 257204245 ATRUKEPQPDLJOU-HNNXBMFYSA-N 350.422 2.469 0 40 FEAB O=C(CC1(O)CCCCC1)N1CCC(c2cc(O)n3nccc3n2)CC1 257211113 BXNSSWOSDQSRNQ-UHFFFAOYSA-N 358.442 2.226 0 40 FEAB CCN1C(=O)C[C@H](C(=O)Nc2cc(C(C)C)[nH]n2)[C@H]1c1cnn(C)c1C 616335682 WUBARYXFYPXHOH-SJCJKPOMSA-N 358.446 2.123 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 1616029227 BWFAABFVTUHEST-QAPCUYQASA-N 359.474 2.397 0 40 FEAB COC(=O)[C@@H]1CCn2c(COc3ccc(Br)cc3)nnc2C1 601045522 XXPIRCDRKXWNAX-SNVBAGLBSA-N 366.215 2.355 0 40 FEAB Cc1cn(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)nn1 19238766 SOSNYPXDMYFXSO-ZVDOUQERSA-N 367.497 2.456 0 40 FEAB Cc1nn(C)c(C)c1CN(C(=O)COc1ccc2c(c1)OCO2)C1CC1 19577786 SPIUWDNQXLJDGT-UHFFFAOYSA-N 357.410 2.336 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)ncc2C1 19590408 CPGXHUGAHZSAOY-MRXNPFEDSA-N 366.465 2.250 0 40 FEAB COc1cc([C@H]2CC(=O)c3cn4nc(C)nc4nc3C2)cc(OC)c1OC 19816603 SQHJVKPFDMCMNN-LLVKDONJSA-N 368.393 2.371 0 40 FEAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 8371637 AUEUZMMXOPNLJP-WJQTUHTMSA-N 360.435 2.327 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO)ccc1O 6793326 OGFXBIXJCWAUCH-IAMHBRQHSA-N 360.406 2.020 0 40 FEAB biogenic,in-vitro CC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 6388831 YILJSIXBAIYPNB-UHFFFAOYSA-N 355.394 2.115 0 40 FEAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888897383 XPHPCBIRMISXDH-CALCHBBNSA-N 374.448 2.086 0 40 FEAB Cc1noc(C)c1CC(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 16675328 XQLDGSZCEVEBJW-UHFFFAOYSA-N 372.360 2.227 0 40 FEAB COCCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 33762711 VMIMVIGHMYBGAV-MRXNPFEDSA-N 366.458 2.249 0 40 FEAB O=C(CN1CCCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037908890 DQOCXRIRRJVAEG-LJQANCHMSA-N 350.434 2.044 0 40 FEAB CN(C)CCN1CC[C@]2(CCCN(C(=O)/C=C/c3cccs3)C2)C1=O 1615065619 YDNKLGZNGRSGIS-GHOSXJJBSA-N 361.511 2.164 0 40 FEAB CCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250382 MODQNYIOHTZXNC-UHFFFAOYSA-N 357.439 2.328 0 40 FEAB O=C1C[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1 9036376 CAMLJZBIWWZFCL-NSHDSACASA-N 354.428 2.219 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccccn2)CC1 2055747705 MVOUQKFWADRVQV-UHFFFAOYSA-N 354.454 2.283 0 40 FEAB COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 20154153 COGLOQXLPQMBGA-UHFFFAOYSA-N 357.410 2.132 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)n1 40142498 VBYXKSARALMWKV-LBPRGKRZSA-N 363.483 2.278 0 40 FEAB COc1ccc(OC)c(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)c1 32123812 BGQYSHNIYFVLGT-HNNXBMFYSA-N 369.377 2.433 0 40 FEAB biogenic O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1-n1cnnn1 32632957 RSVRWRRYMYZEEE-UHFFFAOYSA-N 357.757 2.339 0 40 FEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1O 32855799 RXVQZHBGLXAFTH-INIZCTEOSA-N 373.434 2.094 0 40 FEAB COc1ccc(OCC[S@](=O)CC(=O)N2CCc3ccccc32)cc1 32801207 ZUVNLLOLKSTVHU-RUZDIDTESA-N 359.447 2.412 0 40 FEAB Cc1cc(C)cc(OC[C@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 33015086 VMPHDWCBNRKCPE-MRXNPFEDSA-N 367.449 2.412 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2 22257178 QJNQYPWQWSSLMJ-GFCCVEGCSA-N 366.373 2.152 0 40 FEAB Cc1ccc(OCC(=O)NC2CCCCCC2)c(S(=O)(=O)N(C)C)c1 53874480 UPUUYCSXYMADHF-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB Cc1nc(C)c(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c(=O)[nH]1 54031327 YGWSONFCISTCEA-UHFFFAOYSA-N 369.343 2.143 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1[nH]nnc1Nc1cccc(F)c1 23125473 JVXPPOBWEDDMLT-UHFFFAOYSA-N 355.329 2.346 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 23638878 SSZLHSIZCVIETM-UHFFFAOYSA-N 369.440 2.208 0 40 FEAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1nc2c(s1)CCCCC2 105825925 BGKHGCSUTAWQAF-UHFFFAOYSA-N 372.454 2.435 0 40 FEAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 56059087 AWQXTVCECMTODA-UHFFFAOYSA-N 358.876 2.139 0 40 FEAB O=C(NCCc1ccccc1F)NCc1cccnc1N1CCOCC1 26386466 VCOLSLVHAXXGGX-UHFFFAOYSA-N 358.417 2.099 0 40 FEAB CCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)OCC)c(C)c2c1=O 1778407 NQPNZBBNAWIBCA-SNVBAGLBSA-N 352.412 2.457 0 40 FEAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccccc3)[C@H]2C1=O 100933672 WRJOXENWIHHHEC-SJLPKXTDSA-N 363.373 2.018 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 27394299 DCNRFXDJZMHZLF-GDBMZVCRSA-N 350.846 2.487 0 40 FEAB O=C(NCCc1cccc(F)c1)NCc1ccc(N2CCOCC2)nc1 27337165 QHCDYRNHLDNKDG-UHFFFAOYSA-N 358.417 2.099 0 40 FEAB CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 58182681 IVJWPJLMLVNZKC-INIZCTEOSA-N 371.481 2.193 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)CC(=O)N4)CC2=O)cc1 58151035 LDGUEDUBPLYHBF-MRXNPFEDSA-N 363.417 2.159 0 40 FEAB O=C(Cc1cccs1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108532005 KHELVPGYKBRTCJ-ROUUACIJSA-N 357.479 2.188 0 40 FEAB COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 23235265 UNSUZQFWBVFSOY-UHFFFAOYSA-N 363.439 2.267 0 40 FEAB C[C@H]1CN(C(=O)CSCc2cccc(Cl)c2)CCN1C[C@@H](C)O 89939158 VOCPAAVZWGJQGI-UONOGXRCSA-N 356.919 2.487 0 40 FEAB COc1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)c(OC)c1OC 45203381 ODOIALMDVRSTSY-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB O=C(Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 10809773 LIFBBVZBEXHLGO-UHFFFAOYSA-N 362.455 2.087 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)Cc2cn3ccsc3n2)c1 24590476 SVTFLHQVRSXXRR-UHFFFAOYSA-N 358.423 2.044 0 40 FEAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(F)c(F)c3F)n2)c1 29463873 CBVLFOWLGDFBLK-UHFFFAOYSA-N 363.299 2.405 0 40 FEAB CS[C@]12C(=O)O[C@H]3CC[C@@H]4[C@@H]5[C@@H]6C(=O)O[C@@H]7CC[C@@H]8[C@H]7[C@@H]6[C@@H]([C@H]81)[C@@H]5[C@@H]2[C@@H]34 104286897 JDROFKWAZRVEEN-RIDWSRFNSA-N 372.486 2.359 0 40 FEAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N1CCC[C@H]1C(=O)O 11866821 KGRXOVGCSWWERT-ZBEGNZNMSA-N 371.389 2.125 0 40 FEAB O=C(Nc1nnc(-c2ccccn2)[nH]1)C1CCN(CC(F)(F)F)CC1 48301671 GPVZCMNWOUEIAM-UHFFFAOYSA-N 354.336 2.080 0 40 FEAB CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(I)cc1 48496939 RMBIHHUAOJMAHS-SECBINFHSA-N 360.195 2.390 0 40 FEAB CCN(C[C@@H]1CCOC1)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 63534644 RVGJDSVMSVWWLL-AWEZNQCLSA-N 360.483 2.427 0 40 FEAB CC(C)(C)[C@H](CCO)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 95465404 PLHBEDHMTNCNRJ-ZDUSSCGKSA-N 360.376 2.349 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([S@@](C)=O)cc1 65518151 WBUNMWMWFNGQFE-VWLOTQADSA-N 360.435 2.387 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn(-c2ccccc2)c1 14115275 KQMKJZHIXNWGNQ-UHFFFAOYSA-N 359.389 2.381 0 40 FEAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1C 21596530 ZLKCCJYUPVPCKK-UHFFFAOYSA-N 363.464 2.078 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O 6568498 ZXOGYGIWAFIIIB-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB CCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)C1CCCCC1 6649379 HPMURDNZHNTNCU-UHFFFAOYSA-N 357.410 2.261 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1nc2ccccc2[nH]1 14621301 UNBGJAQWAJMVLS-BETUJISGSA-N 355.394 2.171 0 40 FEAB NS(=O)(=O)c1ccc(F)c(C(=O)OCCOc2ccccc2Cl)c1 6914723 PIACISYZDBLYRO-UHFFFAOYSA-N 373.789 2.362 0 40 FEAB COc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 15513464 HOJSRLQLWXTMDN-UHFFFAOYSA-N 363.417 2.324 0 40 FEAB biogenic COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)c(OC)c1 9421700 MJOVTNJCXBIWPF-SECBINFHSA-N 359.411 2.489 0 40 FEAB CCOc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 16199883 TYCHMQOHEPSVRV-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB COc1cccc(CNC(=O)CC[C@@H]2N=C(O)N(Cc3ccco3)C2=O)c1 9530944 DTDGYFPUAQYJIK-INIZCTEOSA-N 371.393 2.010 0 40 FEAB NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 8316337 DVFAFPIPYYCTFR-UHFFFAOYSA-N 365.311 2.173 0 40 FEAB CCOC(=O)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 18199332 UNJKXQCXEOLWMZ-UHFFFAOYSA-N 362.407 2.416 0 40 FEAB Cc1cccn2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)nc12 8746420 SWKCCAMGWCPYIH-CYBMUJFWSA-N 356.451 2.241 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)c(F)c2)s1 8878801 UWZWFLHJSZGSLY-UHFFFAOYSA-N 360.407 2.370 0 40 FEAB C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 72096420 VYTJNFLVJFEAMY-LLVKDONJSA-N 358.419 2.147 0 40 FEAB CC(=O)c1ccc(C)cc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32624384 ASIIBAPHFLBVLP-UHFFFAOYSA-N 368.798 2.264 0 40 FEAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(OC)cc3OC)C2=O)c1 36635612 IGPDEKXJGNHGIZ-INIZCTEOSA-N 356.378 2.456 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 32859579 IGYKWBKZLRVYSZ-HXUWFJFHSA-N 368.389 2.449 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72360398 ILKYQKZMLZAWPF-MRXNPFEDSA-N 368.441 2.409 0 40 FEAB Cc1nc(C(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)cs1 606440920 UZDCGEDVNXYAEW-JTQLQIEISA-N 369.244 2.298 0 40 FEAB COC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218096856 BHPOCJHVOWCPCE-QYZOEREBSA-N 361.463 2.226 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 72227006 FXQZQDPOHQFIAG-QMMMGPOBSA-N 358.213 2.354 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@H]3C(=O)NC(C)C)NC2=O 72339201 FLWPITKDAWGKND-RJEFXAGKSA-N 358.438 2.475 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(c2cccnc2)C3=O)cn1 96157901 PHUIUOAXTICOKR-UHFFFAOYSA-N 350.422 2.444 0 40 FEAB CN(C)S(=O)(=O)N1CCC2(CC1)CN(CC1CC1)Cc1ccccc12 96242517 IYUIJBVFHIMWSF-UHFFFAOYSA-N 363.527 2.052 0 40 FEAB O=C(c1ccncc1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159675 PWWXJTKFOWOONG-FQEVSTJZSA-N 353.397 2.486 0 40 FEAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1 96215406 CPDQSEFINRLKAP-XLIONFOSSA-N 355.438 2.170 0 40 FEAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(CC1CCOCC1)CC2 96059556 MIUSKFDDDCPMNU-UHFFFAOYSA-N 355.486 2.152 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3nccs3)CC2)CN1c1ncccn1 96240387 KSNRNIPGIDCPFV-HNNXBMFYSA-N 359.499 2.441 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 242548427 LKTKXNZPVNDZGW-KURKYZTESA-N 364.898 2.498 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccnc(-c2cncnc2)c1 257312691 UPCUKQXFTCQERQ-MRXNPFEDSA-N 362.389 2.451 0 40 FEAB Cc1cc2nc([C@@H]3CCCCN3C(=O)CCc3ccnn3C)ccn2n1 257220064 DJJQGZLPZNLRAA-KRWDZBQOSA-N 352.442 2.458 0 40 FEAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 257274406 NKZFWABBTMMMKS-GOSISDBHSA-N 370.453 2.457 0 40 FEAB Cc1csc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c1 257320237 VVWWZHVMJQROPT-LLVKDONJSA-N 353.469 2.203 0 40 FEAB O=C(O)CCC1CCN(C(=O)Nc2ccn(Cc3ccncc3)n2)CC1 656602544 RBALMTNRUCPFJK-UHFFFAOYSA-N 357.414 2.435 0 40 FEAB Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nnn1[C@@H]1CCNC1 662545027 KTTDNTWCFJGMMH-NEPJUHHUSA-N 359.396 2.172 0 40 FEAB O=C1CC[C@H](N2CCN(Cc3cccc(OC4CC4)c3F)CC2)CCN1 668225924 ZIAFTPVQEZQSJN-INIZCTEOSA-N 361.461 2.153 0 40 FEAB COc1cncc(N2CCN(C(=O)c3ncccc3CSC)CC2)c1 602192398 YVSIMJDZUQYUBZ-UHFFFAOYSA-N 358.467 2.311 0 40 FEAB O=C1Cc2c(C(=O)N(Cc3ccccc3)[C@H](CO)C3CCC3)ccnc2N1 616462829 JMVDUGZREFJQCF-GOSISDBHSA-N 365.433 2.380 0 40 FEAB COCCc1ncc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 639208664 ZZIGOELUMJWOBF-KRWDZBQOSA-N 359.495 2.265 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nnc(-c2ccccn2)[nH]1 47343238 HCIBIJOYCSLYPF-UHFFFAOYSA-N 364.365 2.194 0 40 FEAB O=S1(=O)CC[C@@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 575420034 DJRQFHIRGIYVQJ-HXUWFJFHSA-N 358.507 2.466 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585280145 BNIJHLIOQCWPDW-LMMKCTJWSA-N 356.470 2.247 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cnccn2)C1 585180158 VVRVDPOVKCKEAF-LBPRGKRZSA-N 368.466 2.173 0 40 FEAB C#CCN1CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)nc(C)c1C 72290892 RKPOWUUUKZMTIX-QGZVFWFLSA-N 364.453 2.086 0 40 FEAB CC(=O)c1cccc(NC(=O)NCCc2nc(-c3ccncc3)n[nH]2)c1 13565341 NYBOBFPHEPJQHR-UHFFFAOYSA-N 350.382 2.434 0 40 FEAB CCN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O 19699469 PVFWGAAODTZTBM-UHFFFAOYSA-N 370.497 2.057 0 40 FEAB O=S(=O)(O)C/C(=C/c1ccc(Cl)cc1)c1cc[n+](CCO)cc1 2145853 BPOFPITYXFPNLW-PTNGSMBKSA-O 354.835 2.048 0 40 FEAB CCNC(=O)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 6087472 RBRJYYVHFBZHKO-UHFFFAOYSA-N 370.434 2.279 0 40 FEAB O=C1CC2(CCN(C(=O)c3nccs3)CC2)Nc2ccccc2CCN1 2037988905 NBVCEPVBIFGYRJ-UHFFFAOYSA-N 370.478 2.292 0 40 FEAB CC(C)NC(=O)[C@H]1OC2(CCN(C(=O)[C@@H]3CCOC3)CC2)c2ccccc21 1565553906 GVQDKEIVIJPHQL-QAPCUYQASA-N 372.465 2.137 0 40 FEAB COc1ccc(C(=O)N(CN2CCCC2=O)c2nccs2)cc1OC 4035275 PWZIWBASJSEUHI-UHFFFAOYSA-N 361.423 2.387 0 40 FEAB C[C@@H]1CN(c2ncccn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055772364 BYIQWMJJQUVSFQ-IDHHARJASA-N 353.426 2.274 0 40 FEAB CN1CCN([C@H](CNS(=O)(=O)c2cccs2)c2ccsc2)CC1 22767098 LPGRKDINPGRAQX-CQSZACIVSA-N 371.553 2.077 0 40 FEAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)s1 23143675 LLKHNFUREXLHBM-UHFFFAOYSA-N 361.828 2.488 0 40 FEAB COc1ccc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 35598278 WULSZJVMTZJWQY-UHFFFAOYSA-N 364.449 2.458 0 40 FEAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2nncn2C)c1 249032527 LWRWBPIHCDICOL-NUEKZKHPSA-N 356.426 2.300 0 40 FEAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 10465035 IHCCTNMUQJUVIW-ZDUSSCGKSA-N 351.834 2.443 0 40 FEAB O=C(Cc1ccccc1F)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 40087180 DIKBJGNAMUAAII-UHFFFAOYSA-N 363.352 2.429 0 40 FEAB O=C1N[C@]2(CCSC2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 30543306 UARSHYRNWPVXLI-IBGZPJMESA-N 359.495 2.326 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3c(c2)OCCO3)c1C 40286918 XIFFRTUEJQYABO-UHFFFAOYSA-N 357.395 2.364 0 40 FEAB CC(=O)N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 20612094 XXPWSVXFEAFQKZ-MALKTNSBSA-N 360.498 2.465 0 40 FEAB biogenic Cc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1NS(C)(=O)=O 32238883 KAHKPEVOVMKJQD-UHFFFAOYSA-N 355.504 2.215 0 40 FEAB CCN(CC(=O)Nc1cccnc1Cl)Cc1nc2ccccc2c(=O)[nH]1 32738485 WYUFKUJMVRXXFE-UHFFFAOYSA-N 371.828 2.432 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1N1CCCC1 102427758 QZPZDORKJFULJP-GASCZTMLSA-N 355.438 2.401 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCOCC1)c1ccccc1 21698155 VASRCRAATHWONE-FQEVSTJZSA-N 368.433 2.447 0 40 FEAB Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 656163 VPRJUNSTVZHNHV-UHFFFAOYSA-N 358.463 2.346 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1 810165 HWGSMUVWHGMJFD-KRWDZBQOSA-N 373.478 2.107 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC(c3cccs3)=NC2=N1 940741 IVSPGFWRCIKDSJ-CQSZACIVSA-N 355.398 2.324 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnccn2)sc(C)c1C 3297985 DQJSBRISKKAKBC-UHFFFAOYSA-N 363.395 2.127 0 40 FEAB CC(C)(C)NC(=O)CN(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F 4898551 MSZSHLPEZZBYMI-NSHDSACASA-N 352.431 2.353 0 40 FEAB O=C(NCc1ccccc1)NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 4981835 GXCARENKVWLPKV-QGZVFWFLSA-N 359.470 2.484 0 40 FEAB O=C(NCc1ccccc1OC(F)F)c1ccc(N2CCOCC2)nc1 24149562 KQKHWIJDDKZOKD-UHFFFAOYSA-N 363.364 2.450 0 40 FEAB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1 100128166 VLXJLKWPIRIELQ-GJZGRUSLSA-N 356.426 2.475 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 12573503 WAPZZFBFZCRDAB-MRVWCRGKSA-N 366.483 2.270 0 40 FEAB Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1C 24739234 POHAJPUVDMGCGW-MRXNPFEDSA-N 371.481 2.491 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2[nH]1 12548033 MFZFFBTXRQWKBM-KRWDZBQOSA-N 351.406 2.396 0 40 FEAB Cc1c(S(=O)(=O)N2C[C@@H]3CCC[C@@H](C2)C3N2CCCCC2)cnn1C 100214171 CMTFKAWPYDKTAU-HOTGVXAUSA-N 366.531 2.004 0 40 FEAB C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)C[C@@H](C)O1 56062421 FCRVOQAMUDHJKR-BETUJISGSA-N 367.496 2.235 0 40 FEAB CC(C)C(=O)N1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 48234812 GVFBLYRXADQIRQ-AWEZNQCLSA-N 369.473 2.059 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1F)c1nccn1C 29087892 ONGKMDHUSCKBBC-GOSISDBHSA-N 355.417 2.358 0 40 FEAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1COc2ccccc2O1 58216224 AGYYQCGIPRGJJS-LBPRGKRZSA-N 368.418 2.478 0 40 FEAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12700854 BZGGGCUFJPAYCX-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB O=C(COc1ccc(F)cc1)NCc1ccc(CN2CCOCC2)cc1 12868188 XIIZWJFIMLOHRX-UHFFFAOYSA-N 358.413 2.353 0 40 FEAB Cc1ccccc1CN1CCC(NC(=O)NCC(=O)N2CCCCC2)CC1 45758354 YDLXOLNQDIJWNT-UHFFFAOYSA-N 372.513 2.271 0 40 FEAB O=C(NCC1(CO)CCOCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93353020 CKXUBAQUKJSQCH-UHFFFAOYSA-N 354.357 2.411 0 40 FEAB COC(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 6404941 DANBAQUZSHKJNN-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c(C)c1 4512512 HRIXQRLXSMAUBN-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 6600191 KNSLSPWZZVWDKC-UHFFFAOYSA-N 360.435 2.075 0 40 FEAB O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)C2CCCCC2)CC1 66576579 BROGGQXDCUSJGM-UHFFFAOYSA-N 368.474 2.175 0 40 FEAB Cc1csc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n1 15007611 DQSCPOFJLDDNME-UHFFFAOYSA-N 368.436 2.025 0 40 FEAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007541 MQETXTVMILNXFG-QGZVFWFLSA-N 364.442 2.240 0 40 FEAB C[C@H](NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 15858490 JTUJMKNWLYQJPP-ZDUSSCGKSA-N 358.419 2.244 0 40 FEAB O=C(COC(=O)c1ccc(Cl)cc1F)NC(=O)NCc1ccco1 7565619 LGHNQTVWVFTVGD-UHFFFAOYSA-N 354.721 2.255 0 40 FEAB COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3CCCO3)n2)cc1 7718614 DCRYZMKJGXOODT-AWEZNQCLSA-N 362.407 2.479 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(F)c2)C1=O 8158535 QLUJMSHWUVIBQS-IBGZPJMESA-N 371.368 2.093 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1 8338565 DSPPQNIJADHKEU-UHFFFAOYSA-N 368.462 2.449 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)CN3CCCc4sccc4C3=O)C2)n1 84286547 DEXIQUOEKSTKPH-CYBMUJFWSA-N 374.466 2.234 0 40 FEAB C[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)[C@@H]1CO 97104495 NOLBDTDGRKDJIO-ZWNOBZJWSA-N 350.419 2.132 0 40 FEAB CC(C)CNC(=O)c1[nH]nc2c1COC[C@@]21CCN(Cc2ccco2)C1 306142324 WVZYSQUPIYFNPE-IBGZPJMESA-N 358.442 2.062 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(=O)O)cc(-c3ccco3)c12 73666837 NGQXONQJYYIWIJ-SNVBAGLBSA-N 361.379 2.058 0 40 FEAB COc1cccc(C2(C(=O)N3CC(n4cc([C@H](C)O)nn4)C3)CCCC2)c1 95998092 ZQDSHSZRHDNFCD-AWEZNQCLSA-N 370.453 2.235 0 40 FEAB O=C(CS(=O)(=O)c1ncn[nH]1)N(C1CCCCC1)C1CCCCC1 86169875 HNLDTGOLPBSUMG-UHFFFAOYSA-N 354.476 2.072 0 40 FEAB COCC(=O)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306130727 JOBPMBLIZMXPLH-LJQANCHMSA-N 362.433 2.447 0 40 FEAB NC(=O)c1cc(N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)ncn1 1559146901 YDIJOEOOHLXPQT-JOCHJYFZSA-N 374.444 2.416 0 40 FEAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 122531829 BVEHJSITKLLCJO-KBPBESRZSA-N 357.376 2.326 0 40 FEAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)NCCc1cccs1 38740264 CNYNAXQEXJEHTK-UHFFFAOYSA-N 373.463 2.148 0 40 FEAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218101472 RBAFYCGFHZOGBJ-GBESFXJTSA-N 361.463 2.369 0 40 FEAB COCCn1c(C(=O)NCc2cccc(F)c2)nc2ccccc2c1=O 32106771 WXHZTXNAUFPYMY-UHFFFAOYSA-N 355.369 2.112 0 40 FEAB COc1ccc2c(c1)N[C@H]([S@@](=O)Cc1c(C)c(OC)c(C)c[n+]1[O-])N2 216647004 BBMDUQNTLINGKU-NSYGIPOTSA-N 363.439 2.024 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1 216385849 DBKJYIDELRAJSR-ZDUSSCGKSA-N 354.472 2.251 0 40 FEAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 49864435 MQTJERYBNPEHKQ-HNNXBMFYSA-N 370.405 2.372 0 40 FEAB COc1ccc(OCc2cn(CC(=O)NCc3ccccc3)nn2)cc1 227162777 UDCZYFHHZXYWMV-UHFFFAOYSA-N 352.394 2.182 0 40 FEAB COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225420648 VRFACZSWCKUPIP-ZDUSSCGKSA-N 362.451 2.437 0 40 FEAB CC(C)OCCCNC(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 95475440 PLBYUIFUBMWECX-OAHLLOKOSA-N 365.865 2.432 0 40 FEAB CS(=O)(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1 96158611 INACKIUSIGNCHU-UHFFFAOYSA-N 354.447 2.132 0 40 FEAB O=C(N1CCCC1)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 96217948 GTWXDVWYFOTIJD-OAHLLOKOSA-N 357.414 2.271 0 40 FEAB Cc1cc(C)n2c(CN[C@H](c3nccn3C)C3CCOCC3)cnc2n1 581839851 BGTGGGFEGWTSOY-KRWDZBQOSA-N 354.458 2.337 0 40 FEAB Cc1ccc(C(=O)N2CC3(CC[C@H](CN4CCOCC4)CO3)C2)cc1C 248169648 UWUYZUDKVLNDMX-GOSISDBHSA-N 358.482 2.257 0 40 FEAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccs2)[C@@H](C(=O)O)C1 248147926 WHGCNHKZWDOEMO-LSDHHAIUSA-N 359.451 2.333 0 40 FEAB CN(CCC(=O)N[C@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257242666 IDOSPNAPOWODTH-SFHVURJKSA-N 353.470 2.084 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc3c(c2)CCC3)C1 260926725 JKOPFWZFSQPVCP-KDOFPFPSSA-N 364.511 2.414 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cn1)N1CCOc2cc(F)ccc2C1 626529277 OWXXBXUAAVCPKU-UHFFFAOYSA-N 372.400 2.484 0 40 FEAB Cc1noc(COC2CN(Cc3ccccc3N3CCO[C@@H](C)C3)C2)n1 643832200 WHVKQASZHBVTLE-AWEZNQCLSA-N 358.442 2.004 0 40 FEAB Cc1cccnc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644351813 MDRJVTJEFQXROW-NRFANRHFSA-N 353.466 2.423 0 40 FEAB CCc1nc(C)c(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)O)C2)[nH]1 585286882 WDGVIXFSTGWSNN-RHSMWYFYSA-N 358.442 2.420 0 40 FEAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 585108257 HZKXWBCCEZLPQU-OWCLPIDISA-N 374.466 2.078 0 40 FEAB Cc1ccccc1CN1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 585112393 OVUYTFKOVVUOGP-GOSISDBHSA-N 374.510 2.220 0 40 FEAB COc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c(OC)c1 40033453 OCKRUPSZZWMETD-UHFFFAOYSA-N 361.373 2.281 0 40 FEAB C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)s2)C1 58192468 HVIYGYZXAJOVBF-JTQLQIEISA-N 350.893 2.328 0 40 FEAB COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 75613188 YKISHOTWDGEQDB-KBPBESRZSA-N 373.494 2.423 0 40 FEAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(Br)cn3)nc2n1 5484535 XBXKOYMHQMJQPK-UHFFFAOYSA-N 361.203 2.080 0 40 FEAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 15365811 WOACDUDPPXBNQK-UHFFFAOYSA-N 374.462 2.425 0 40 FEAB CCCc1nn2c(=O)cc(COC(=O)COc3ccccc3)nc2s1 15734256 BBHDDUOOUKTJPX-UHFFFAOYSA-N 359.407 2.226 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCC(=O)c1cccs1)C2=O 18023488 UTDRSZRVWCEYMH-UHFFFAOYSA-N 363.439 2.243 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)c4cccc(F)c4)C3)ncc2C1 19018731 CHDHQLNJFMISGK-OAHLLOKOSA-N 368.412 2.150 0 40 FEAB C[C@]1(CNc2nc(CCn3ncc4c3CCCC4)cc(=O)[nH]2)CCCO1 19461254 PSVDEUMIRYZXFY-LJQANCHMSA-N 357.458 2.069 0 40 FEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)c1 19551299 LEGUPHVFBXXODJ-OAHLLOKOSA-N 373.409 2.488 0 40 FEAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)CC3)C1 19709470 LHYYFQUKGLASMQ-QGZVFWFLSA-N 359.518 2.442 0 40 FEAB O=C(CCC(F)(F)F)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888853248 CZCSSCPNTYKNOL-UHFFFAOYSA-N 362.327 2.190 0 40 FEAB Fc1ccc(F)c(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 1889180447 HGSUZNSCNPLXJK-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB Fc1ccc(F)c(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1889184573 DCROOGPDRYWLRP-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB COc1cnc(O[C@H]2CCN(c3ncc(Br)cc3F)C2)nc1 2086968291 XEQCXLRCPHLGIA-JTQLQIEISA-N 369.194 2.440 0 40 FEAB O=c1ccc(-n2cccn2)nn1CC1CCN(CCc2ccccc2)CC1 1565523584 TVLYTCSZWLBMSV-UHFFFAOYSA-N 363.465 2.384 0 40 FEAB CCCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 3623875 PHBRMAJCVWLHJV-HNNXBMFYSA-N 357.332 2.303 0 40 FEAB CCn1nnc2c(N3CCc4cc(OC)c(OC)cc4[C@H]3C)ncnc21 5250448 ZAEYFAQIKWPNTN-LLVKDONJSA-N 354.414 2.382 0 40 FEAB Cc1ccc(N2CCN(CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 49379881 IHXSACBZSCCQMO-UHFFFAOYSA-N 363.421 2.430 0 40 FEAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 10463214 USKVHDWAUOBXNI-UHFFFAOYSA-N 367.345 2.159 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)nc2n1 31734763 PIBXWKOGARZNBX-UHFFFAOYSA-N 372.816 2.349 0 40 FEAB O=C(Oc1ccc(-n2cnnn2)cc1)c1cc(Cl)c2c(c1)OCCO2 32717050 IVTIBBBJFPZDDG-UHFFFAOYSA-N 358.741 2.306 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 21576558 XXILAIYRPOVZTG-INIZCTEOSA-N 359.422 2.338 0 40 FEAB COc1ccc(CCN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1OC 1573115 TYMGVMFMEZPYMC-UHFFFAOYSA-N 360.410 2.370 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)no1 54748959 UKQRXBPXCHZOAJ-UHFFFAOYSA-N 369.421 2.338 0 40 FEAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 12555603 OUCAABUOEQFDTG-GFCCVEGCSA-N 363.439 2.090 0 40 FEAB Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)cc1 12530438 PCFBDANZKMZHIN-CQSZACIVSA-N 364.858 2.448 0 40 FEAB Cc1ccnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 12553700 QSCXGEHAIDBIIX-CYBMUJFWSA-N 365.480 2.491 0 40 FEAB CCN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 101274208 RYJFFYJXODRQAQ-CQSZACIVSA-N 356.253 2.263 0 40 FEAB C[C@H]1CCc2sc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc2C1 24680145 SPDMKEZFUNPPAA-JSGCOSHPSA-N 370.540 2.417 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 9752624 UTCBQWUOSZRQIL-ISTVAULSSA-N 350.415 2.015 0 40 FEAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2CCOCc2ccccc2)O1)N1CCCC1 107207120 KJXJRDFEKDKUEQ-AQNXPRMDSA-N 358.482 2.448 0 40 FEAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349579 ISPSADXAEWNFEC-HOCLYGCPSA-N 358.438 2.500 0 40 FEAB CCOCCCNC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58209985 JFKAWRAVFIMMCI-UHFFFAOYSA-N 367.877 2.163 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 55941797 QZGJMSUWRCUWOI-UHFFFAOYSA-N 369.826 2.370 0 40 FEAB O=C(OCc1cc(F)cc2c1OCOC2)[C@H]1CCCN1c1ncccn1 28115809 KWAKSLMSRSBTBD-OAHLLOKOSA-N 359.357 2.194 0 40 FEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N2CCOCC2)nc1 22381434 OQMJWACQWKVGJN-UHFFFAOYSA-N 363.320 2.492 0 40 FEAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1 23819053 WFQKNEJSQUVJOV-UHFFFAOYSA-N 366.420 2.139 0 40 FEAB CC[C@H](CCNC(=O)Nc1ccc(OCCOC)nc1)N1CCCC1=O 71184967 AVUQBBOEMFIVPF-OAHLLOKOSA-N 364.446 2.019 0 40 FEAB CCc1ccc(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 27974149 IJPSOEBRASMQHY-AWEZNQCLSA-N 363.435 2.338 0 40 FEAB O=S(=O)(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 27757043 JRNLIVVSEOXMBO-UHFFFAOYSA-N 371.212 2.416 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 29841454 FYJRXANXDLIIEY-MRXNPFEDSA-N 367.453 2.065 0 40 FEAB C[C@@H](Sc1nnc2ccccn12)C(=O)NCc1ccc2c(c1)OCO2 3505539 MRJVFURHFFJDOW-LLVKDONJSA-N 356.407 2.255 0 40 FEAB CC[S@](=O)c1ccccc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 12976773 VRMPEOUNQDAGPH-PUAOIOHZSA-N 366.527 2.291 0 40 FEAB CCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 306135525 OTZWVDZAXPLZRG-OXJNMPFZSA-N 358.486 2.429 0 40 FEAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc[nH]c3=O)CC2)c(OC)c1 9154409 FEFGHFJZPQUPLR-UHFFFAOYSA-N 370.405 2.330 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 20245816 QAMQRVIXZMTOOE-UHFFFAOYSA-N 369.393 2.460 0 40 FEAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3C[C@H](C)C[C@@H](C)C3)NC2=O)cc1 13685076 BIYLAXXTVMHDRX-CPUCHLNUSA-N 372.469 2.246 0 40 FEAB Cc1sc2ncn(CC(=O)NC(=O)NCc3ccccc3)c(=O)c2c1C 6111029 KGAJDEZSYZPTCL-UHFFFAOYSA-N 370.434 2.101 0 40 FEAB COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H](C)O 97162837 NFUJRIWHHGWWRE-PMUMKWKESA-N 357.406 2.160 0 40 FEAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@@H](C)O1 14188159 MOFJSWWEGUXQPD-HUUCEWRRSA-N 366.483 2.111 0 40 FEAB COc1ccc(C[C@H](C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)cc1 5484064 DBRPLXICKVKMBF-INIZCTEOSA-N 353.382 2.182 0 40 FEAB COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 6753032 JDXUYYNDGLWZNR-IBGZPJMESA-N 365.389 2.328 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c2c(C)nn(C)c2n1 14899133 ASTIZUZOHGTMBL-CYBMUJFWSA-N 352.394 2.155 0 40 FEAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 6883798 SNMSFYVCUROAPM-RNJZWHOHSA-N 361.486 2.428 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C12CC3CC(CC(C3)C1)C2 9499796 ZECOEURHUGPLBJ-VZDYGNHUSA-N 373.497 2.428 0 40 FEAB CCN(CC(=O)NCc1ccco1)CC(=O)Nc1c(F)cccc1F 15295972 WNQUKHJYPSEKII-UHFFFAOYSA-N 351.353 2.135 0 40 FEAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)s1 7215697 JLUHSFILOXKJMA-UHFFFAOYSA-N 369.306 2.046 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 15630007 YPXUOJDJRFFZNP-UHFFFAOYSA-N 370.434 2.091 0 40 FEAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1C 8134758 MVVNBXDPQYWXDJ-UHFFFAOYSA-N 352.438 2.405 0 40 FEAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2SC(F)F)C1=O 8718167 OXBLCBUUTNRWAB-UHFFFAOYSA-N 371.365 2.139 0 40 FEAB COC(=O)C1(NC(=O)CN2C(=O)CCOc3ccccc32)CCC(C)CC1 84689193 YVXXYJALJNRXDB-UHFFFAOYSA-N 374.437 2.040 0 40 FEAB CC(C)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95475691 SCASLNOXBPWBDI-VIFPVBQESA-N 365.231 2.203 0 40 FEAB Cc1ccc(Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 98213059 CUIRPFBTUKJNEU-UHFFFAOYSA-N 366.396 2.197 0 40 FEAB COc1ccc([C@@H](CO)N(C)S(=O)(=O)c2ccc(C)c(F)c2)cc1 95972882 XUCGAXKZIYLAGA-QGZVFWFLSA-N 353.415 2.497 0 40 FEAB C[C@@H](O)c1cn(C2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)nn1 95998103 LHGCAKYSVBLKPV-SECBINFHSA-N 355.225 2.264 0 40 FEAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408591647 IXKCNYRYWKXUHQ-GOSISDBHSA-N 360.479 2.348 0 40 FEAB Cc1ccc(OCCCCNC(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)cc1 555757277 FQIXLWXEACCYMP-RDJZCZTQSA-N 364.442 2.333 0 40 FEAB CCOC(=O)n1cc(CCNC(C)=O)c2cc(OC)c(OC(C)=O)cc21 38345314 CAQVWXISGZMXAI-UHFFFAOYSA-N 362.382 2.258 0 40 FEAB in-vitro Cc1cc(Nc2ccccn2)nc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 72382491 IOTZMYASNUGWIH-AWEZNQCLSA-N 361.409 2.343 0 40 FEAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCc1ccc(O)nn1)C2 566085037 FUBKFTFVNIASDH-UHFFFAOYSA-N 358.398 2.074 0 40 FEAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)N=c1[nH]c2ccccc2[nH]1 71284816 GZBLQNBHAXFZOA-UHFFFAOYSA-N 356.769 2.002 0 40 FEAB C[C@H](C(=O)O)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392441 BLXZYZQFFVSPKZ-SECBINFHSA-N 369.768 2.405 0 40 FEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC[C@@H](C)C1 223517686 QJQVGNFFBOQRFO-PBHICJAKSA-N 368.499 2.498 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)Cn2c(O)nc3ccccc32)c1 532003155 IEVHDLZIOBXHRC-OAHLLOKOSA-N 369.377 2.083 0 40 FEAB O=C(NCCc1ccc(Cl)cc1)c1coc(NC(=O)c2cnccn2)n1 77099942 SQHMXDSFJSUSST-UHFFFAOYSA-N 371.784 2.343 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223363600 PSNADXRMBZVCDW-QGZVFWFLSA-N 366.417 2.265 0 40 FEAB CC(C)NC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)cn1CCO 49551405 VCLNLVRRLXTIDB-UHFFFAOYSA-N 364.829 2.211 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2CC[C@@]3(N=C(c4ccccc4)NC3=O)[C@H]2C1 96261696 RTGIOZXTRLRWCM-PLMTUMEDSA-N 364.449 2.449 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccsc1)C2 96230432 XLKRKCMATZOEOA-LJQANCHMSA-N 355.463 2.311 0 40 FEAB CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 514289953 PYEVHFYWTXOPIL-ABSDTBQOSA-N 359.470 2.197 0 40 FEAB biogenic,in-vitro O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)COc1ccccc1)C2 96227018 NXOLFKNWEVBMKC-NQIIRXRSSA-N 365.433 2.015 0 40 FEAB Cc1nc(CN2CC[C@]3(CCN(C(=O)c4cccn4C)C3)C2=O)cs1 96159458 QOWSVYSNGURRTE-GOSISDBHSA-N 358.467 2.055 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96249688 HISGNJKIHXZMPI-QZTJIDSGSA-N 355.438 2.346 0 40 FEAB COc1cc(N2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)ncn1 247872070 LMQXKTZGRGKQGM-OAHLLOKOSA-N 358.467 2.470 0 40 FEAB COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 247941863 NMBQWSJAMFAHII-KRWDZBQOSA-N 360.454 2.122 0 40 FEAB Cc1nc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cs1 252481324 CIXPQRUHYBTUKC-UHFFFAOYSA-N 365.480 2.166 0 40 FEAB O=C(c1cccc([C@H]2CCCN(Cc3cncs3)C2)n1)N1CCOCC1 257228653 FUSREPSNCIHKTD-HNNXBMFYSA-N 372.494 2.390 0 40 FEAB CN1CCN([C@H](C(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc2)CC1 633138265 HXFGSQHTOGHBDU-SFHVURJKSA-N 369.421 2.018 0 40 FEAB CCN(CC)Cc1cccc(CNC(=O)c2cnc3ccccn3c2=O)c1 54032525 AATJFTHNNKQLAU-UHFFFAOYSA-N 364.449 2.466 0 40 FEAB O=S(=O)(CCc1ccccc1)N1CCCN([C@H]2CCSC2)CC1 1565522485 ITKRYSBQPREJFP-KRWDZBQOSA-N 354.541 2.072 0 40 FEAB FC(F)(F)c1ccccc1CN1CCN(c2ccc3nncn3n2)CC1 106093397 ZKGPUZPSBZZDAB-UHFFFAOYSA-N 362.359 2.465 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)N1CCOCC1 1012916 SQTBARHKXPFLRF-OQLLNIDSSA-N 371.418 2.063 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC(=O)N(C)c3ccccc3C2)c1 1557535894 WTTOGXAVKOIGDH-UHFFFAOYSA-N 365.389 2.136 0 40 FEAB CCOc1ccc(OCC(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 5313284 JQNXLZQWPIZUES-UHFFFAOYSA-N 353.378 2.017 0 40 FEAB Cc1cc(C)nc(-n2[nH]c3[nH]c(-c4ccc(F)cc4)cc(=O)c3c2=O)n1 5452436 XMQYJNRXBHRYIB-UHFFFAOYSA-N 351.341 2.220 0 40 FEAB C[C@@H](CN(C)C)NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 19455921 KKSGWDGWDRIQPD-AWEZNQCLSA-N 374.510 2.327 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1 19554528 UZGVBGJJTPNLBF-MRXNPFEDSA-N 351.410 2.429 0 40 FEAB COc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19568643 ZCYGZOHGMSWFEF-UHFFFAOYSA-N 352.438 2.151 0 40 FEAB C=Cn1cc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 19584183 GSTLAHMNKYZHRM-OAHLLOKOSA-N 360.483 2.470 0 40 FEAB O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570162 WXSRVFPJIJODCD-OAHLLOKOSA-N 357.362 2.088 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccc(O)nc2)C3)nc1 1888847463 HMOLCOCNPAUAGA-BEFAXECRSA-N 354.410 2.207 0 40 FEAB CC(C)c1nccc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888869505 JMYSIBCLIUFFEN-HOTGVXAUSA-N 350.422 2.221 0 40 FEAB Cc1ccc(N2C[C@H]3CN(C(=O)NCCc4ccccc4)C[C@H]3C2)nn1 1888890290 MOLAXLJFQACPCM-HDICACEKSA-N 351.454 2.105 0 40 FEAB Cc1cc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)on1 1888922147 WXXXXAXLWVIZPP-UHFFFAOYSA-N 374.466 2.028 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCCn3cncn3)C2)cc1C 2037913060 NKRRPXKRQUZGTD-FQEVSTJZSA-N 372.469 2.108 0 40 FEAB CCc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cn1 1565555491 IXZIPVXBYNZYEF-UHFFFAOYSA-N 358.467 2.043 0 40 FEAB COc1cccc(NC(=O)NCc2n[nH]c(=O)c3ccccc23)c1OC 4317517 GOEYGEUMNPBPPK-UHFFFAOYSA-N 354.366 2.262 0 40 FEAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccco1 4327747 FDEWQFQENFSTNH-UHFFFAOYSA-N 366.406 2.188 0 40 FEAB O=C(N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)c1ccc(F)cc1 4577473 RUVOWUNOEXTAMB-MRXNPFEDSA-N 365.286 2.391 0 40 FEAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccnc1 5241911 IGJCQIICIYLLKD-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 12234577 CEFWKNKAEZMLHR-UHFFFAOYSA-N 362.367 2.159 0 40 FEAB Oc1c([C@@H](c2ccccc2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609168 JSXDQRCACLGGJY-CQSZACIVSA-N 372.450 2.425 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(Cn2cccn2)c1 40074415 PEADEKSOAPBFCY-IAGOWNOFSA-N 366.421 2.045 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 40012012 REYGRNIMVQTNSU-IBGZPJMESA-N 373.416 2.105 0 40 FEAB O=C(c1cc(-c2csc(CN3C(=O)CCC3=O)n2)c[nH]1)N1CCCC1 40152949 GISPAVXTBNZLCO-UHFFFAOYSA-N 358.423 2.023 0 40 FEAB O=C(CCc1nc(-c2ccccn2)no1)NCCOc1ccc(F)cc1 30648026 OBVOBZURDQNPDJ-UHFFFAOYSA-N 356.357 2.399 0 40 FEAB O=C1CC[C@H](C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)CN1 51569818 HSLYQLJFFJGGOX-JTQLQIEISA-N 369.299 2.325 0 40 FEAB Cc1noc(CCC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 101839710 IIVUKEKYFFNUIQ-UHFFFAOYSA-N 360.389 2.327 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc2c1CCCC2 32907527 NWEKORBBVDVQNK-UHFFFAOYSA-N 350.426 2.383 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 41778811 KEJYRBREVVBSKE-GRIAEXQCSA-N 360.498 2.489 0 40 FEAB CCOCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 47073418 CPSDWKFPONUFHD-UHFFFAOYSA-N 364.471 2.259 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NCCCn1cccn1 2809586 YSWAXIRZDUKRIZ-UHFFFAOYSA-N 371.462 2.407 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 47217178 RYLITBVFIATDIJ-MSOLQXFVSA-N 359.426 2.387 0 40 FEAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CC1 705721 LMMKUHMQSOHSEB-CSODTCANSA-N 358.397 2.320 0 40 FEAB Nc1nc(CSc2nc3ccccc3s2)nc(N2CCOCC2)n1 912405 YHDSVRLKGAMOPM-UHFFFAOYSA-N 360.468 2.192 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(N)=O)ccc1Cl 78599001 RIFPZGOFMUCIHY-UHFFFAOYSA-N 352.799 2.095 0 40 FEAB O=C(NCC[S@](=O)Cc1ccccc1)c1cc2ccccc2c(=O)[nH]1 78597078 JBWYWTRJYBSLKQ-RUZDIDTESA-N 354.431 2.207 0 40 FEAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NC1CC1 1371498 YZOJOMIANKPFLR-UHFFFAOYSA-N 352.416 2.300 0 40 FEAB COc1ccccc1C(C)(C)NCc1cnc(N2CCN(C)CC2)nc1 79064305 GFHGNBVXSNMOJY-UHFFFAOYSA-N 355.486 2.262 0 40 FEAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccc1 6559924 LCTJQWDQJKVMDM-UHFFFAOYSA-N 353.451 2.110 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CC)c(Cl)c1 6593311 FZLMCHMNCFCFAZ-LLVKDONJSA-N 362.879 2.322 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(-n4cnnn4)cc3)c2O1 7783366 TVGLCXKDUDHKIH-UHFFFAOYSA-N 365.393 2.393 0 40 FEAB Cc1cc(C)nc(SCC(=O)OCCN2C(=O)c3ccccc3C2=O)n1 7786828 OUUWXBKLDCCJMA-UHFFFAOYSA-N 371.418 2.025 0 40 FEAB Cc1cc(Br)c(O)c(C(=O)N2CCC3(CC2)OCCO3)c1 47828897 XHVOWBSXQXNYDJ-UHFFFAOYSA-N 356.216 2.442 0 40 FEAB COc1ccc(CNC(=O)c2coc(=O)c(Br)c2)cc1OC 1300695 OWGMQCGHSJGMFM-UHFFFAOYSA-N 368.183 2.350 0 40 FEAB C[C@H](NC(=O)COC(=O)c1ccc(-n2cccn2)nc1)[C@H]1C[C@H]2CC[C@H]1C2 107329425 GPKAYWUQKAGXSG-QBYUYEEZSA-N 368.437 2.365 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)NC[C@H]2CCCN(C(C)C)C2)CC1=O 58210385 HAJDQSOMGWCZLP-IAGOWNOFSA-N 373.497 2.285 0 40 FEAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC1 2106979 CMNXEVSAEYDUEZ-UHFFFAOYSA-N 361.398 2.006 0 40 FEAB biogenic COc1ccc(N(C)C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 58366431 ZLMKPNHLFOZITJ-UHFFFAOYSA-N 357.454 2.386 0 40 FEAB COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)OCCO3)c(C)n2C 2262480 KRZAZGHRYXVEHZ-GOSISDBHSA-N 360.454 2.368 0 40 FEAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1C(C)C 20802010 AIAVIKCJSKISMQ-JKSUJKDBSA-N 359.426 2.406 0 40 FEAB C[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br 36350861 DTUAYRAUUVHGGO-SECBINFHSA-N 361.261 2.111 0 40 FEAB Cc1cccc(Cn2cnc(NC(=O)c3cc(C)nc4c3cnn4C)n2)c1 36616212 QLHOZECIBXMPBX-UHFFFAOYSA-N 361.409 2.477 0 40 FEAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2Cc2cccs2)on1 21915843 ODXSHTWGXHEYOZ-VIFPVBQESA-N 350.429 2.199 0 40 FEAB CCn1c(SC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 60390381 SCQWYDXZULIYLM-UHFFFAOYSA-N 352.485 2.471 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc21 2638087 WICKDNSCZGYKHK-UHFFFAOYSA-N 359.407 2.400 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2C1=O 12827484 RGYLIMCIPXXOQM-UHFFFAOYSA-N 360.316 2.444 0 40 FEAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 12858632 CKJIWRWCYXTPDH-JXFKEZNVSA-N 372.396 2.341 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1 12978112 CPSHXHYWEQDBJX-GOSISDBHSA-N 366.333 2.059 0 40 FEAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc2c(c1)CCCC2 9193271 KMYCPJFHOJUAMX-UHFFFAOYSA-N 372.494 2.312 0 40 FEAB COc1ccccc1-n1cnnc1SCC(=O)N1C[C@@H](C)O[C@H](C)C1 6082139 WBOVJMHQWUVBMS-CHWSQXEVSA-N 362.455 2.004 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2ccncc2)C(C)C)c1 9221413 LICLSLYYLKCXII-GOSISDBHSA-N 371.437 2.170 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 13718748 PXMAZCKCPNLURU-UHFFFAOYSA-N 372.450 2.306 0 40 FEAB COCCCn1c(C(=O)NCCC(C)C)cc2c(=O)n3ccccc3nc21 5206471 MHNPBIGVYUPKTR-UHFFFAOYSA-N 370.453 2.462 0 40 FEAB Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CCCC4=O)cc3)nc2n1 14162018 DDEKVQXHKCDUCS-UHFFFAOYSA-N 350.382 2.120 0 40 FEAB Cc1cc(C)c(CNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(=O)[nH]1 9336786 XTBIMGJGASNNHU-UHFFFAOYSA-N 366.421 2.213 0 40 FEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2o1 9499569 WCOMAYXASIRHKV-UHFFFAOYSA-N 358.419 2.412 0 40 FEAB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 15364172 QXXCGSDJCKHERS-UHFFFAOYSA-N 363.435 2.466 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 15590266 OGISUJLMBGULDJ-QJPTWQEYSA-N 362.455 2.015 0 40 FEAB Cc1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c(C)n1C1CC1 7575504 JHFPLIGMHBTYTE-UHFFFAOYSA-N 359.382 2.216 0 40 FEAB O=C(O)COc1ccccc1/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O 8179900 VKXQNOKEQJBEFN-QPEQYQDCSA-N 367.313 2.223 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1C 8327762 PUELERJOOWDKMX-NSHDSACASA-N 351.403 2.004 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 8312446 RBCSZRLYPRFPBD-OAHLLOKOSA-N 355.316 2.364 0 40 FEAB COC(=O)[C@H](CCN1CCCCC1)NC(=O)CO[C@@H]1CCCC[C@H]1C 72306528 CZSRBZWVAKYXSE-IXDOHACOSA-N 354.491 2.116 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1F 25126954 IJYOITLFAAEQHI-OUONAIIESA-N 350.434 2.461 0 40 FEAB C[C@H]1CN(C(=O)c2cc3c(cc2Br)OCCO3)C[C@H](C)O1 28048563 JQNPYNRDZWNKHA-UWVGGRQHSA-N 356.216 2.470 0 40 FEAB O=C(NC[C@@H]1CN(C2CC2)CCO1)Nc1nc(-c2cccnc2)cs1 95405438 SJBUVYYWCZHNMV-CQSZACIVSA-N 359.455 2.190 0 40 FEAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1nc(C)cs1 84811740 HXUFKHKEACLYCI-QHCPKHFHSA-N 352.437 2.375 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)nn1 98035930 VXEYUIVCWJJQIR-QGZVFWFLSA-N 355.442 2.124 0 40 FEAB O=C(/C=C/c1ccccc1Br)N1CCOC[C@H]1c1ncon1 95981463 PXBOLBYQWMJUSE-GFUIURDCSA-N 364.199 2.445 0 40 FEAB CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 76221725 FKJLJYSYKWFNSH-CQSZACIVSA-N 372.469 2.411 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408593875 QJQPLLTVPALWTO-UHFFFAOYSA-N 355.460 2.019 0 40 FEAB CCc1nnc(CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)o1 503686877 BFTMZHRFZOKECM-UHFFFAOYSA-N 358.379 2.414 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 33623669 ODBIXNRDMOILRZ-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB CCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 72362202 FBBRBBQCAIBZMM-CQSZACIVSA-N 354.410 2.484 0 40 FEAB COc1cc(OC)cc([C@H](C(=O)O)N2CCC[C@@H](c3nc(C)no3)C2)c1 567596101 XMRZKJOQLQSEOA-MLGOLLRUSA-N 361.398 2.401 0 40 FEAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1N(C)S(C)(=O)=O 222471495 GEELZHLVPRDZKG-UHFFFAOYSA-N 362.407 2.372 0 40 FEAB CCOc1cc(CN2CCC(C(=O)N[C@H](C)COC)CC2)ccc1O 199402837 HLOJBNJCPSJCOG-CQSZACIVSA-N 350.459 2.154 0 40 FEAB OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCCC2)CC1 225467823 KUZUZOHZUDZHDX-UHFFFAOYSA-N 351.516 2.201 0 40 FEAB biogenic,in-vitro CO[C@@H]1COC[C@@H]1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C 333064752 AAJLTPDCHVTWNK-WKPIXPDZSA-N 369.259 2.319 0 40 FEAB COc1ccc(CCNC(=O)CCC(=O)Nc2cccnc2)cc1OC 199428049 VSAXICFBXIENRT-UHFFFAOYSA-N 357.410 2.176 0 40 FEAB O=C(NC[C@@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1)N1CCCC1 96208373 SMRZKYCRBUOODA-AZUAARDMSA-N 358.486 2.401 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96110842 LRDRBRFCBFBLDI-AEFFLSMTSA-N 351.468 2.425 0 40 FEAB COCCNc1oc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 95116704 JERCDRSSSHNTQK-UHFFFAOYSA-N 363.801 2.209 0 40 FEAB COC(=O)C[C@H](c1cccnc1)c1c(O)nc2ccc(Cl)cn2c1=O 96117150 LCZFHJLPCFJPAP-GFCCVEGCSA-N 359.769 2.144 0 40 FEAB O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159036 UORFESFQAHUXFO-UHFFFAOYSA-N 356.401 2.127 0 40 FEAB CC(C)NC(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96241963 WHDSPBYPIVBXFZ-OAHLLOKOSA-N 364.511 2.382 0 40 FEAB CN(C)c1ccc(N2CCC[C@]3(CN(Cc4ccncc4)CCO3)C2)nc1 96226448 BJZLCKJWCOKKRP-NRFANRHFSA-N 367.497 2.414 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247820578 CVOQFJFMBRUGGV-OAHLLOKOSA-N 371.462 2.402 0 40 FEAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)c1ccsc1 247513391 UMRMNHYEQJNLGA-QGZVFWFLSA-N 360.483 2.158 0 40 FEAB CC(=O)c1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 243184463 JYCICLXXCPDMSQ-UHFFFAOYSA-N 374.462 2.314 0 40 FEAB COc1ccccc1Cc1ccc(C(=O)N2CCC(C)(C(N)=O)CC2)cn1 257344743 ZYMZBFOAPHVBEE-UHFFFAOYSA-N 367.449 2.409 0 40 FEAB Cc1cc(NC=O)cc(NC=O)c1-c1c(C)cc(NC=O)cc1NC=O 255189529 QKLRJGSFIPRVAQ-UHFFFAOYSA-N 354.366 2.244 0 40 FEAB CC(=O)N1[C@@H](CNC(=O)c2ccccc2F)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257259490 KYQFRGCXDHIWHH-XUMLPFHTSA-N 362.445 2.486 0 40 FEAB CN(C(=O)c1ccnc(Cc2cccc(F)c2)c1)[C@@H]1CCS(=O)(=O)C1 257235611 GYPBOYNCEDFNII-QGZVFWFLSA-N 362.426 2.071 0 40 FEAB Cc1noc([C@H]2CN(C(=O)N[C@@H]3C[C@@]3(F)c3ccccc3)C[C@@H](C)O2)n1 624245549 IWTBOJLMDXVJGJ-XKLVTHTNSA-N 360.389 2.487 0 40 FEAB CN(C)C(=O)c1cccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c1 1648140184 ARPLPROFJBFUCC-UHFFFAOYSA-N 363.421 2.077 0 40 FEAB COC[C@]1(C)CN([C@H](C(=O)O)c2ccccc2Br)CCO1 629379927 STNLWINXJSUZQH-ZFWWWQNUSA-N 358.232 2.312 0 40 FEAB CCN1CC2(CCC1=O)CCN(C(=O)[C@](C)(N)Cc1ccccc1)CC2 1775965108 UUXNVDJDTCJSHO-HXUWFJFHSA-N 357.498 2.198 0 40 FEAB COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)c1nccn1C 48287768 WPXYEDPODREVPQ-SFHVURJKSA-N 354.410 2.482 0 40 FEAB CN(CCOc1ccccc1Cl)C(=O)c1cccnc1-n1cncn1 58215272 HSVIPXVBXITFMU-UHFFFAOYSA-N 357.801 2.467 0 40 FEAB CC(C)CN1C[C@H](C(=O)NCCc2ccc(OC(F)F)cc2)CC1=O 40071941 MBAPUWFHEAOAPR-CQSZACIVSA-N 354.397 2.451 0 40 FEAB COc1ccccc1CN(CCO)C(=O)c1ccc(-n2cncn2)c(F)c1 89473645 FIVGUTWVTNFRGP-UHFFFAOYSA-N 370.384 2.050 0 40 FEAB CO[C@]1(C(=O)Nc2ccc3cccc(Cl)c3n2)CCS(=O)(=O)C1 1262084502 UMCGFOWXTDHWRZ-OAHLLOKOSA-N 354.815 2.030 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 5169590 JSJFUVCNXDHGAC-UHFFFAOYSA-N 369.164 2.131 0 40 FEAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(O)c(OC)c1 13567455 DBVCEXNADWJBJR-SNVBAGLBSA-N 361.423 2.081 0 40 FEAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 16638496 KWRGGPJCKLBZOD-UHFFFAOYSA-N 356.488 2.321 0 40 FEAB CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17056440 JHYNDFCHZRYIPO-UONOGXRCSA-N 356.463 2.387 0 40 FEAB Cc1c(C(=O)OCC(=O)OC(C)(C)C)sc2nc3n(c(=O)c12)CCC3 17519413 SYVLHJAPQLZVSF-UHFFFAOYSA-N 364.423 2.211 0 40 FEAB COCCC(=O)Nc1ccc([C@H]2NC(=O)c3ccc(C)nc3N2C)cc1 19221754 RRIJZEWAWAIBTP-KRWDZBQOSA-N 354.410 2.243 0 40 FEAB CN1CCN(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 19590045 OWCCWZBRORCFIG-UHFFFAOYSA-N 364.453 2.458 0 40 FEAB CC(C)NC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 35312705 UXUGDDXUYPURIY-GFCCVEGCSA-N 350.444 2.334 0 40 FEAB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1 2517077 BRNNQLLASRVTMB-SFHVURJKSA-N 357.406 2.321 0 40 FEAB COc1ccccc1CCNC(=O)c1ccccc1OCC(=O)N(C)C 19295756 OYUXWBSBUURNQF-UHFFFAOYSA-N 356.422 2.135 0 40 FEAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCC2(CC1)OCCO2 1098101 HRACSWZKJNFLFC-UHFFFAOYSA-N 374.315 2.222 0 40 FEAB O=C(c1cccnc1O)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888866903 WOFCFCXWVWSUFJ-KPZWWZAWSA-N 358.373 2.038 0 40 FEAB CCc1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888888494 DMSFESYEUGWXEY-AWEZNQCLSA-N 365.441 2.259 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc2ccccc21 1888890493 JRJPFCIDFKEHAB-OKILXGFUSA-N 365.412 2.316 0 40 FEAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncnc3[nH]cnc23)CC1 1888914032 IUNYWTUHEHVZSQ-UHFFFAOYSA-N 364.457 2.218 0 40 FEAB CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2O)c1 15109624 PXYUDJQHXHCNME-UHFFFAOYSA-N 354.815 2.230 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccco2)C1 2055747069 COYOWLMBROQAIY-IBGZPJMESA-N 361.417 2.238 0 40 FEAB CCOCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(OC)ccc21 100873697 DOAUHXMYGSUTTF-ZCXUNETKSA-N 364.423 2.063 0 40 FEAB O=C(Nc1ccc(N2CCN(c3ncc(Cl)cn3)CC2)cn1)C1CC1 2298047653 TVHKKTSVOZVQBK-UHFFFAOYSA-N 358.833 2.200 0 40 FEAB N=C(NC1=N[C@@H](CC(=O)Nc2ccccc2)C(O)=N1)Nc1ccccc1 20101133 WGHHFJHDNJTZHF-AWEZNQCLSA-N 350.382 2.346 0 40 FEAB COc1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C 31210032 LYMAGDWYAIQFNT-KRWDZBQOSA-N 373.497 2.162 0 40 FEAB O=C(C[C@H]1CCCO1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51419990 LCVGITWMOZORPT-GOSISDBHSA-N 357.454 2.481 0 40 FEAB COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1Br 101347778 SYWPZOYGZXJFER-SNVBAGLBSA-N 351.160 2.033 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)C1 32636240 UTRGKGPWIRBVAW-LRAJWGHMSA-N 369.465 2.275 0 40 FEAB Cc1nnc(COC(=O)c2cccc(I)c2)n1C 32937795 GFAHSDLWAFDRMT-UHFFFAOYSA-N 357.151 2.085 0 40 FEAB CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C1 103477607 SVHVJXOOEUNPDJ-LSDHHAIUSA-N 359.478 2.282 0 40 FEAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1n[nH]c(-c2ccccn2)n1 53525366 AMHGFIHBPBSFDV-UHFFFAOYSA-N 361.365 2.488 0 40 FEAB COc1ccc(OC)c(CCC(=O)Nc2nnc(-c3ccccn3)[nH]2)c1 53526262 AUHJYLYOEKDHSR-UHFFFAOYSA-N 353.382 2.455 0 40 FEAB Cc1nn(C)c2ncc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc12 23184271 YESPCBQSURCULU-AWEZNQCLSA-N 352.394 2.189 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1C 3516474 AYGUNSBDGUUXBD-LBPRGKRZSA-N 350.415 2.412 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccc(OCc3ccccc3)cc2)N2NC=NC2=N1 956649 RSKNKFWLJTZHHY-GOSISDBHSA-N 361.405 2.284 0 40 FEAB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N1CCOCC1 7814852 QUMCIUXEHWVCEF-SSDOTTSWSA-N 367.616 2.446 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 101779787 YMLVJQDQZDAEFW-NHAYFPRASA-N 368.518 2.353 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)Cn1cnc3ccccc31)C2=O 100672153 MJHYAWVSCVHURZ-CKNLXJGOSA-N 355.438 2.209 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)OCc3ccc(F)cc3Cl)cnc21 10654756 CRQRNGCKZUZEJS-UHFFFAOYSA-N 364.764 2.056 0 40 FEAB Cn1cc([C@](C)(O)CNC(=O)CCc2ccccc2OC(F)(F)F)cn1 72295024 KPOVLQDILLIZFZ-MRXNPFEDSA-N 371.359 2.275 0 40 FEAB C[C@H]1CN(CCCNC(=O)[C@H]2CCN(C3CCCCC3)C2)C[C@@H](C)O1 106924291 CFVLQHHLWALZAP-KSZLIROESA-N 351.535 2.257 0 40 FEAB Cn1nc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)ccc1=O 56460826 HXESBQGPVHWRQB-UHFFFAOYSA-N 369.421 2.141 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1ccc(-n2cccn2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2 107329418 GPKAYWUQKAGXSG-AESZEHBQSA-N 368.437 2.365 0 40 FEAB O=C(CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1 1711210 MXPOTGPWCJELKP-OAHLLOKOSA-N 352.346 2.155 0 40 FEAB O=C(CN1CSCC1=O)NCc1ccc(CN2CCCCCC2)cc1 58213879 BEKOQGDKQVEDFU-UHFFFAOYSA-N 361.511 2.212 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCN(C)CC1 97618052 HFAJYPCQJZVLLK-MRXNPFEDSA-N 351.878 2.259 0 40 FEAB Cc1[nH]ncc1CCCNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58324523 BKOQCIQXNZUXQU-UHFFFAOYSA-N 366.429 2.461 0 40 FEAB COc1cc(-c2nn(CN3CCOCC3)c(=S)o2)cc(OC)c1OC 28773851 ZBXSOKMUKYNTMP-UHFFFAOYSA-N 367.427 2.188 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1 100748849 WDIGICYPRVYRQC-MAEOIBBWSA-N 372.513 2.376 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(Cl)cc2)s1 48332531 XEESBWNBSVEIDC-UHFFFAOYSA-N 358.872 2.298 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccccc2Br)cn1)NC1CC1 48383171 FXNUIWCMPJFKHP-UHFFFAOYSA-N 363.215 2.177 0 40 FEAB COc1ccc(CN2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)cc1F 24638494 SVMTYOCKUXNHBR-UHFFFAOYSA-N 359.401 2.323 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN(C)C)cc1 2678692 PJNSPPYTWYDWLK-CYVLTUHYSA-N 367.449 2.144 0 40 FEAB COC(=O)c1cc(NC(=O)Cc2ccccc2OC)cc(C(=O)OC)c1 3565620 SFPAYSPSZNSJBM-UHFFFAOYSA-N 357.362 2.450 0 40 FEAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCc1c[nH]c2ccccc12 12987520 LRKNWPDIFUGBRQ-UHFFFAOYSA-N 368.418 2.405 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1)[C@@H]1CCCO1 49674851 CHXRNUGMUMNIAK-CRWXNKLISA-N 366.483 2.343 0 40 FEAB CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@](C)(O)CN(C)C)c12 84758820 HSQMRKHDLYYITK-IBGZPJMESA-N 360.458 2.095 0 40 FEAB CCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 9477238 CPJVATZYYDTMEA-INIZCTEOSA-N 374.416 2.076 0 40 FEAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)[nH]c2c1 67158774 QLQVKUPITKKUQS-KGLIPLIRSA-N 361.467 2.012 0 40 FEAB Cc1cc(C)n2c(SCC(=O)NCCc3ccccc3F)nnc2n1 7188482 QIPXCZYWNWISGE-UHFFFAOYSA-N 359.430 2.331 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 84388006 URSDALBLGHJDSF-HNNXBMFYSA-N 364.398 2.117 0 40 FEAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 8217247 QVWFAMTWSKRZBQ-GFCCVEGCSA-N 360.439 2.375 0 40 FEAB COc1ccc(CCNC(=O)c2cnn(-c3cccnc3)c2)cc1OC 83960194 GALUDXHHLYYCSC-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 9885416 GLPNXCGNWHAAQF-LBPRGKRZSA-N 368.231 2.417 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]([C@H](C)O)C2)nnn1-c1ccc2ncccc2c1 95431398 IJJRBISZWAKPEQ-HOCLYGCPSA-N 365.437 2.357 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 95963473 MEFCXFLNGHCPLT-YJMBLLCNSA-N 373.541 2.149 0 40 FEAB COC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(N)=O 89374983 USKSPRHZCJERPC-JTQLQIEISA-N 361.448 2.255 0 40 FEAB O[C@@H](COCc1ccccc1F)Cn1cnc2c(N3CCCC3)ncnc21 89814013 HUULTNNZSZQMJX-OAHLLOKOSA-N 371.416 2.143 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 408556328 IWOUFMURCUZWMK-AWEZNQCLSA-N 364.442 2.339 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl 408592021 NFJJXZGZPWCZAJ-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB Cc1ccc(N2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)nn1 171811405 SCVOZOOKFDLKPR-UHFFFAOYSA-N 364.453 2.333 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 37021532 PUUFGSMFNXTERZ-GJZGRUSLSA-N 368.499 2.498 0 40 FEAB CCCN1CCN(C(=O)c2cn([C@H]3CCCNC3)nn2)c2ccc(F)cc21 520566247 JZYCBCRBYUALMM-HNNXBMFYSA-N 372.448 2.219 0 40 FEAB O=C(CC1(n2cccc2)CCOCC1)NCCc1nc(-c2ccco2)no1 524733078 RIKXIKLRFMXZLA-UHFFFAOYSA-N 370.409 2.386 0 40 FEAB CN1CCN(C(=O)C2CCCCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355085 FPAKJVSEZJWFFV-MRXNPFEDSA-N 359.518 2.056 0 40 FEAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1cc3ccccc3oc1=O)nn2C 35597793 BLUMYDDIVRCEKR-SECBINFHSA-N 352.350 2.225 0 40 FEAB Cc1nc(N[C@H]2CCCN(c3ccccc3F)C2)sc1S(N)(=O)=O 571898118 IRBCQXOBQQZYPX-NSHDSACASA-N 370.475 2.319 0 40 FEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222873177 YUJULPOYRNNGTM-INIZCTEOSA-N 370.449 2.280 0 40 FEAB COC[C@H]1CN(C(=O)COc2ccccc2)Cc2ncn(CC3CC3)c21 96045091 QWONNGWDOTYNDZ-MRXNPFEDSA-N 355.438 2.444 0 40 FEAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccsc2)O1 96057556 RGHNOSROVSJNAD-BZUAXINKSA-N 360.435 2.420 0 40 FEAB Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)s1 96058303 MSSOOEMBQIXROV-IXDOHACOSA-N 350.484 2.447 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C(N)=O 96182126 DJGRYXDUWFXBAY-UHFFFAOYSA-N 350.444 2.235 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C1)OCC[C@H]2COc1ccccn1 247944204 QKWVRYPCZBPGMI-HNNXBMFYSA-N 368.389 2.120 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@@H]1COc2ccccc2O1 240178603 ZCBYTADXPPTBQJ-ZQIUZPCESA-N 355.394 2.123 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)CCC(=O)O)C2)ncn1 257229596 FYRYBGGRYOBCAR-ZDUSSCGKSA-N 358.398 2.004 0 40 FEAB Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257312013 UMAMMJMKAVWMJN-YVWKXTFCSA-N 367.453 2.202 0 40 FEAB Cn1cnnc1[C@H]1CCCN1Cc1cnn(-c2ccccc2C(=O)O)c1 257283030 OWLMTYJESAGQKQ-MRXNPFEDSA-N 352.398 2.036 0 40 FEAB C[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](c2ccco2)C1 608486863 WDUPDPMCFCWJDS-XJKSGUPXSA-N 352.394 2.384 0 40 FEAB COc1cccc2c1CCN(C(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 613402729 BVPFEULXEDGHST-SJLPKXTDSA-N 355.438 2.481 0 40 FEAB CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(C)c(-c3cnn(C)c3)c2)C1 632102883 NUXHVTSLTNSNER-INIZCTEOSA-N 354.454 2.336 0 40 FEAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775966444 FBTODPTVDRNUMH-LBPRGKRZSA-N 360.391 2.067 0 40 FEAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3C)CC2)n1 1867988086 FFVXPKPFGMVHIT-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 55621515 FGMPQFNKJTVICN-UHFFFAOYSA-N 373.434 2.421 0 40 FEAB Cc1nc(N2CCC(NC(=O)c3cccs3)CC2)c2cnn(C)c2n1 57149709 CHSYTURSDHXUPR-UHFFFAOYSA-N 356.455 2.132 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(F)F)c(OC)c1 5787312 RJBOJIXUCMLYRU-GFCCVEGCSA-N 358.366 2.262 0 40 FEAB O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)cc1 15675048 XCKNTMMPSXBILX-CVEARBPZSA-N 366.377 2.138 0 40 FEAB biogenic,in-vitro COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2c(C)noc2C)C[C@H]3O)c1 643551041 FRSVSQKXQZIFCS-PWIZWCRZSA-N 358.438 2.419 0 40 FEAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCNCC1 643587696 LFIRDRYFNGTNTN-UHFFFAOYSA-N 373.497 2.164 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C(C)(C)C)c1C 9535589 NLIHAOZTFBQHIX-UHFFFAOYSA-N 351.432 2.135 0 40 FEAB O=S1(=O)CCC(CN2CCN(c3nsc4ccccc34)CC2)CC1 1888863938 HFPWRXMLMOFWOD-UHFFFAOYSA-N 365.524 2.243 0 40 FEAB O=C1C[C@H](c2nnc(S)n2C[C@H]2CCCO2)CN1Cc1ccccc1 1889110013 XRDDFFPPXPZVDE-LSDHHAIUSA-N 358.467 2.262 0 40 FEAB COc1cccc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)c1 1889122636 RXRZGMMHWCAZOJ-UHFFFAOYSA-N 353.470 2.408 0 40 FEAB Cc1nc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)no1 1849320170 CULAZZRAWZTZBP-UHFFFAOYSA-N 357.389 2.139 0 40 FEAB COc1ccc(C)cc1NC(=O)CN(CCC(N)=O)Cc1ccccc1 9513578 MKNLJDPXSYSEMJ-UHFFFAOYSA-N 355.438 2.320 0 40 FEAB Cc1nccn1CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912522 NMKBCTFQWXMLRO-LJQANCHMSA-N 361.417 2.153 0 40 FEAB COc1cccc(CN2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)c1F 2037984086 POFKNPIWUYGPKH-CVEARBPZSA-N 350.434 2.292 0 40 FEAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(Cc3ccccc3)C2)C1 2056226070 JJJPTQJCTASQRC-MRXNPFEDSA-N 355.360 2.476 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)c3csc(C)n3)C1)CC2 1614937954 UVLOKNOIIIYPRK-SFHVURJKSA-N 358.467 2.185 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565553540 CHGRYKVRKSLRJJ-LJQANCHMSA-N 352.394 2.405 0 40 FEAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 2457041 AAZKZTDKDUVMLT-UHFFFAOYSA-N 364.427 2.195 0 40 FEAB COc1ccc(CNC(=O)Cn2c(=S)[nH]c3ccccc3c2=O)cc1 3043463 SSWPSUFEVIHSHS-UHFFFAOYSA-N 355.419 2.384 0 40 FEAB O=C(COc1ccc(F)cc1)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055738691 KLNRCQJHVLJQDF-OAHLLOKOSA-N 373.428 2.462 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Oc2nccs2)C1 208033334 IKSUMULILLOXBK-UHFFFAOYSA-N 350.465 2.474 0 40 FEAB O=C(O[C@@H]1CCOC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585399720 UMFKZRFQJCTQFP-IUODEOHRSA-N 373.858 2.427 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCC2=O)cc1 40120731 ZCGDNOLJDWBSQF-UHFFFAOYSA-N 364.467 2.499 0 40 FEAB Cc1ccsc1CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51134559 RCNIOYHLKPGWDP-UHFFFAOYSA-N 365.480 2.068 0 40 FEAB COc1ccc(CCNC(=O)c2cc(-n3cnnn3)ccc2Cl)cc1 20739801 DTLPWHCFQNKSOM-UHFFFAOYSA-N 357.801 2.297 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 32843597 UIMNLQSKEYTQOM-GOSISDBHSA-N 358.463 2.196 0 40 FEAB COc1ncccc1CNC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O 53445919 SJSAJHYLUBLGTK-QGZVFWFLSA-N 353.422 2.376 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 810078 XJZLDGUWXZTMFU-CYBMUJFWSA-N 367.405 2.046 0 40 FEAB CC(C)[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1 1328715 IBGQXYDUANQBRJ-IBGZPJMESA-N 374.437 2.039 0 40 FEAB CCOC(=O)c1nn(-c2ccc(Br)cc2)/c(=N/C(C)=O)s1 958649 OQWMNVOAOOKZHI-SQFISAMPSA-N 370.228 2.320 0 40 FEAB COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(c4cccs4)NN32)c1 940751 QJCMSJHIMBBVCB-OAHLLOKOSA-N 367.434 2.194 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)NCCc1ccc(Cl)cc1 23995465 NBVFTIBLKQMEHT-UHFFFAOYSA-N 358.873 2.216 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc2NC1=O 24390332 YPMCWLJIRRWHAX-JTQLQIEISA-N 371.418 2.236 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCCCC1 7604442 DKFFEOSDVRGDJX-HNNXBMFYSA-N 366.483 2.078 0 40 FEAB Nc1nc(CN2CCN(C(=O)C[C@H]3C=CCC3)CC2)nc2ccccc12 25060281 DCMDXYDPIIXNMI-HNNXBMFYSA-N 351.454 2.213 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 55374411 PIONSLKGVXUVDT-PMPSAXMXSA-N 350.459 2.344 0 40 FEAB COC(=O)N(C)CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 55832127 JHWBIGQOQYJGPY-UHFFFAOYSA-N 373.384 2.392 0 40 FEAB CC1CCN(c2ccc(NC(=O)CN3CCC[C@H]3C(=O)N(C)C)cc2)CC1 12543141 DEXOHNXIPVNDCA-IBGZPJMESA-N 372.513 2.414 0 40 FEAB CC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 51357170 XNZXAPBFZNKZER-UHFFFAOYSA-N 355.346 2.091 0 40 FEAB C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)C(N)=O 56586139 GAIOLHPUBRGBRL-LBPRGKRZSA-N 354.435 2.230 0 40 FEAB CN(C)CCN(Cc1cccnc1)C(=O)NCc1ccc2c(c1)OCO2 56336569 ZPBPQUSUWZTDAA-UHFFFAOYSA-N 356.426 2.084 0 40 FEAB CN(C)C1(CNC(=O)c2cccc(S(C)(=O)=O)c2)CCCCCC1 48236246 FVOCETYVZTZYQK-UHFFFAOYSA-N 352.500 2.475 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(C(C)C)s2)c1 12765167 VUTKZEXCONOBLL-UHFFFAOYSA-N 354.457 2.130 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnnn2C2CC2)cc1 12799177 CMNHJXKYVUEOTR-BJMVGYQFSA-N 373.438 2.315 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(C(=O)NCc2cccnc2)CC1 58203054 ZCWCEFIAFCIRJU-UHFFFAOYSA-N 372.856 2.332 0 40 FEAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 2159820 CPNFMHOQYNWLQO-UHFFFAOYSA-N 373.405 2.420 0 40 FEAB biogenic O=C1CSc2ccc(C(=O)NCc3ccnc(-n4ccnc4)c3)cc2N1 58380242 GYNNJNKFJAVRGW-UHFFFAOYSA-N 365.418 2.242 0 40 FEAB CC1(C)Cc2cccc(OCCNc3cncc(-n4cncn4)n3)c2O1 48303014 AMENFLPOGGCTJW-UHFFFAOYSA-N 352.398 2.262 0 40 FEAB COCCCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10337652 YXNLOEFATHRCES-UHFFFAOYSA-N 356.488 2.002 0 40 FEAB COC(=O)C1CCN(CCCNC(=O)CCc2ccc(F)cc2)CC1 95350356 CYYXJIDKHURKKD-UHFFFAOYSA-N 350.434 2.150 0 40 FEAB CC[C@@H](C)NC(=O)CCNC(=O)c1cc(OC)ccc1Br 38068625 RJKBCJUQELGMGE-SNVBAGLBSA-N 357.248 2.492 0 40 FEAB CCn1nc(C(=O)OCC(=O)Nc2ccccc2)c2ccccc2c1=O 2661207 AEAJARUKYHQWBN-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1 12919722 XKJMDQOHXZTQAQ-JTQLQIEISA-N 356.405 2.272 0 40 FEAB O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2ccc3nccnc3n2)C1 96004980 RWKYCGZGYRWSQS-OAHLLOKOSA-N 369.450 2.436 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1ccc(Cl)cc1 5166055 DSNDTIICNOIVBQ-UHFFFAOYSA-N 371.780 2.050 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)CC1 21128686 ZLWLUNKFFYENCJ-HNNXBMFYSA-N 373.526 2.280 0 40 FEAB CC(C)OC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 4547930 LDTYUIVMRAIUTQ-UHFFFAOYSA-N 373.409 2.055 0 40 FEAB Cc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 5443749 QXJVBFMJRHSGSX-UHFFFAOYSA-N 352.456 2.145 0 40 FEAB CCNC(=O)NC1CCC(OC(=O)c2cccc(N3CCNC3=O)c2)CC1 66536213 WVVAENPCUSPFFK-UHFFFAOYSA-N 374.441 2.003 0 40 FEAB CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 67523773 KHAOBKUVBLJBDE-QGZVFWFLSA-N 358.417 2.419 0 40 FEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCOc2ccccc21 7312728 BVMIDKKDMWDVHW-OAHLLOKOSA-N 371.437 2.271 0 40 FEAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 95456673 CWRUCYMHNVSAIK-CQSZACIVSA-N 363.417 2.263 0 40 FEAB Cc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 8233485 SPDXUINSLFSBDK-OAHLLOKOSA-N 366.417 2.246 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 17153553 KTSVSMRZMCRDAU-AWEZNQCLSA-N 374.462 2.125 0 40 FEAB Cc1ccc2c(c1)CC[C@@H](C(=O)NS(=O)(=O)c1nc(C)c(C)s1)O2 408492128 CJXQLVJPYJTTDG-AWEZNQCLSA-N 366.464 2.267 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc3c(n2)C[C@H](C)CC3=O)cc1 20633946 CIINUWVGALOTOR-JTQLQIEISA-N 374.422 2.001 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc4cc[nH]c34)ccc21 547499868 IIHVKEXBKCCGMW-UHFFFAOYSA-N 356.407 2.159 0 40 FEAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)c2ncnc3n[nH]cc23)cs1 548354613 IDGUKOLPQVLXAB-AAEUAGOBSA-N 361.450 2.167 0 40 FEAB CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[C@H]1CO 72321450 BYSSVEXTISDMBG-SJLPKXTDSA-N 373.384 2.360 0 40 FEAB biogenic,in-vitro O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 126121122 JJQWXCXIXFRNGL-UHFFFAOYSA-N 372.856 2.471 0 40 FEAB COc1cc(C[C@@H](NC(C)=O)C(=O)O)ccc1OC(=O)c1ccccc1 3850384 HZRQRAWSGXDEDM-OAHLLOKOSA-N 357.362 2.046 0 40 FEAB biogenic COc1ccc([C@H]2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c(OC)c1 524735631 OPVCFXJEPVUSAI-MRXNPFEDSA-N 372.421 2.443 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)C3(n4cnnn4)CCCCC3)c2c1 71286225 NRIQAKVAYXJRIJ-UHFFFAOYSA-N 368.441 2.181 0 40 FEAB COc1ccc(OC)c([C@H](C)Nc2nc3c(C)nn(C)c3c(=O)n2C)c1 32651637 WBHHGMHBWKSZEO-JTQLQIEISA-N 357.414 2.166 0 40 FEAB Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(F)cc2Cl)n1 44213729 AMEZJSVSSNAJQM-UHFFFAOYSA-N 351.813 2.485 0 40 FEAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2c1 226037031 DEPOZHBLDNRVBE-UHFFFAOYSA-N 358.375 2.001 0 40 FEAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 223646378 YUSNVSNSNUQHNT-DLBZAZTESA-N 358.467 2.264 0 40 FEAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 224270981 GKZYMRIXVYMZHM-UHFFFAOYSA-N 366.443 2.141 0 40 FEAB Cn1cnc(CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)n1 93544391 ZIEFVIWWNCIAAI-GFCCVEGCSA-N 350.220 2.064 0 40 FEAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccncc3)C2)C1 96220567 PAJRGQFEPNQBTM-LEWJYISDSA-N 352.482 2.447 0 40 FEAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382166 IKZVGXFUXFHJKV-PSBWJHGTSA-N 359.445 2.181 0 40 FEAB biogenic,in-vitro Cc1cc(C)nc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257241162 HWVWJDFBBOJDIS-INIZCTEOSA-N 355.394 2.078 0 40 FEAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 257307723 SZYZMHCTNUZTNW-KRWDZBQOSA-N 356.401 2.158 0 40 FEAB Nc1nc(N)c2c(n1)O[C@]1(CCCN(CCCc3ccccc3)CC1)C2 257296820 REMZINLEMSKFCX-FQEVSTJZSA-N 353.470 2.433 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc1 1252172007 XIJPSKNHNWADCT-UHFFFAOYSA-N 351.403 2.156 0 40 FEAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3cnn(C)c3C)C2)n1 257213105 CGEWYXQQMZOMHN-GOSISDBHSA-N 355.486 2.492 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2cn(C)cn2)C1 257242772 IEBNTNQOJVYNTP-CQSZACIVSA-N 366.425 2.187 0 40 FEAB CS(=O)(=O)C[C@H]1CCN(Cc2nnn(-c3ccccc3)c2C2CC2)C1 639201131 QGYWSQULPAGDIL-AWEZNQCLSA-N 360.483 2.011 0 40 FEAB O=C1NCCN1c1ccc(F)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c1 665978011 PFUDYOFCVPNOTM-YJBOKZPZSA-N 369.396 2.303 0 40 FEAB O=C(c1ccc2oc(O)nc2c1)N1CCC[C@H](c2nnc3n2CCC3)C1 672871520 SQBNQFCGWMXDHL-LBPRGKRZSA-N 353.382 2.091 0 40 FEAB CCOC(=O)[C@H]1CCCN(c2ccc(-c3cnn(CCOC)c3)cn2)C1 600795547 ZAQQPYZAJKZQCK-INIZCTEOSA-N 358.442 2.371 0 40 FEAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2ccc(F)c(F)c2)no1 1775963888 IGLKJBLMPYPXJA-LBPRGKRZSA-N 365.340 2.353 0 40 FEAB biogenic,in-vitro CCN1CCC(CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)CC1 57000631 PWIOENDPZBBPIW-HNNXBMFYSA-N 359.470 2.039 0 40 FEAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)o1 96375492 OGYPUWTWPRGSEY-ULKQDVFKSA-N 362.245 2.222 0 40 FEAB O=S(=O)(N1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 12239101 MBOAAEAOTDXYST-OTWHNJEPSA-N 364.511 2.479 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1 1615143552 PQFAKXUZPUEBPU-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@@H](CCSC)C(=O)O 1570005702 HEBBWOVBWNOZBN-NSHDSACASA-N 371.436 2.047 0 40 FEAB CCc1nc2cc(NC(=O)Cc3c(C)nc(OC)nc3OC)ccc2n1C 12116904 LSWAVQCRYLYIOH-UHFFFAOYSA-N 369.425 2.433 0 40 FEAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)nc12 12117783 DABANUPCNCEMJO-CABCVRRESA-N 367.453 2.169 0 40 FEAB COC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)OCC(=O)c1ccc(OC)cc1)[C@@H]1C[C@H]21 13468973 ONFSNMPRGOMFHO-DGUWLTKGSA-N 370.401 2.278 0 40 FEAB COCCCNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 13609729 NEBWLBGRPPWRPB-UHFFFAOYSA-N 356.469 2.063 0 40 FEAB COCCNC(=O)Cc1csc(-c2cc(OC)c(OC)c(OC)c2)n1 13734132 ZUTBXZWFPMGTJE-UHFFFAOYSA-N 366.439 2.141 0 40 FEAB COCCC(=O)Nc1ccc([C@@H]2NC(=O)c3ccc(C)nc3N2C)cc1 19221751 RRIJZEWAWAIBTP-QGZVFWFLSA-N 354.410 2.243 0 40 FEAB COc1cccc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1 19588333 FMFLGFWZLDPNQR-UHFFFAOYSA-N 366.465 2.493 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 982880 STKNFKDXWQTOFR-UHFFFAOYSA-N 351.380 2.048 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1c1cnn(C)c1 585655597 HBUVPKVCRPCQGF-IRXDYDNUSA-N 358.442 2.024 0 40 FEAB CC(C)c1nc(N2CC(N(C)c3ncc(Cl)cn3)C2)nc(O)c1F 1888843193 ZMVNNVZPDFZRPI-UHFFFAOYSA-N 352.801 2.213 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 21334734 YHZVAWOEMIGTIW-UHFFFAOYSA-N 363.364 2.276 0 40 FEAB Cc1noc(CC(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)n1 1615067840 LBDLLRPHBYDQKS-KRWDZBQOSA-N 360.439 2.028 0 40 FEAB O=C(CCF)N1CC[C@@]2(CCCc3sc(N4CCOCC4)nc32)C1 1565555888 IRHKJAZFJOGDOR-KRWDZBQOSA-N 353.463 2.146 0 40 FEAB O=C(/C=C/c1cccs1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565544090 IJCACRCNPGTSCK-ONEGZZNKSA-N 370.478 2.015 0 40 FEAB COc1ccc(C(=O)N2CCC(Cn3nc(C)ccc3=O)CC2)cc1OC 1565522848 TVMVEBWDSOVZJZ-UHFFFAOYSA-N 371.437 2.121 0 40 FEAB COc1ccc(-c2cc(=O)n(CC(=O)NCc3cccs3)cn2)cc1 13807174 YGYAFWAAZFLCCO-UHFFFAOYSA-N 355.419 2.297 0 40 FEAB Cc1c(Cl)cccc1C(=O)N1CC2(CCN2C(=O)c2cnn(C)c2)C1 2055793343 RACRGWFCITXHSZ-UHFFFAOYSA-N 358.829 2.123 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1CC(c2nc(-c3ncccn3)no2)C1 49483019 KKUAFVHFEDQODV-UHFFFAOYSA-N 373.775 2.488 0 40 FEAB CN(C)c1nc(CNC(=O)/C=C/c2ccccc2)nc(N2CCCCC2)n1 575607603 OPRDWMOVNMTLJV-VAWYXSNFSA-N 366.469 2.258 0 40 FEAB COc1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 85793489 XBMYZZRHEMCGHQ-UHFFFAOYSA-N 353.348 2.221 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 40068839 ZUXJHRRMEUHZKM-NEPJUHHUSA-N 367.243 2.097 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1 30434943 MKKWXFSKDUMWTH-UHFFFAOYSA-N 367.449 2.458 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(N)=O)c1 40155280 XLYBGTVVAYOFTK-LSDHHAIUSA-N 361.442 2.351 0 40 FEAB COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 40160028 NCZCDAHKEBCDTA-SFHVURJKSA-N 373.474 2.454 0 40 FEAB CCc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20111845 NQKLPJJNDPWWJU-QGZVFWFLSA-N 360.435 2.415 0 40 FEAB CN(Cc1ccc(Cl)cc1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 30845980 VZPUJNUQRAAVCV-UHFFFAOYSA-N 357.797 2.002 0 40 FEAB Cn1c(=O)n(Cc2cccc(F)c2F)c(=O)c2ccc(C(F)(F)F)nc21 31452547 HNFXBSBCLSWCFI-UHFFFAOYSA-N 371.265 2.441 0 40 FEAB CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 32667662 JIOJJMIGCAICSQ-HNNXBMFYSA-N 357.454 2.494 0 40 FEAB CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCOCC2)nc1)c1cccs1 21590007 UJJANLHRMRPEQQ-OAHLLOKOSA-N 374.466 2.186 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 32883805 COWWTYDGVROECB-CQSZACIVSA-N 362.451 2.021 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)NCCc2ccc(Cl)cc2)s1 32869844 OMMVAPIMSXORNX-UHFFFAOYSA-N 373.887 2.091 0 40 FEAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccncc1 41254633 WKUBLEKWNAVMLY-UHFFFAOYSA-N 352.369 2.151 0 40 FEAB Cc1sc2ncn(CCC(=O)OCc3csnn3)c(=O)c2c1C 32915483 FQTHZYSJDBNCGI-UHFFFAOYSA-N 350.425 2.060 0 40 FEAB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1cccc2ncccc12 22242582 KZAPVYLRGQXXBH-UHFFFAOYSA-N 361.449 2.386 0 40 FEAB COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1 781203 FEPWOCQPAYDTJM-HNNXBMFYSA-N 357.406 2.379 0 40 FEAB O=C1CN(CC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)C(=O)N1 78927862 YSJNWANNXYALCO-MRXNPFEDSA-N 371.824 2.292 0 40 FEAB CC1(C)SC[C@@H](C(=O)N2CCC[C@@H]2C(=O)OC2CCCCC2)N1C=O 1761397 YJRSLMHFMDBVDB-CABCVRRESA-N 368.499 2.163 0 40 FEAB Cc1ccc(-c2nnc(S)n2CCC(=O)/N=c2/sccn2C)cc1 22900188 AVCGQHXTFCBYNS-WUKNDPDISA-N 359.480 2.460 0 40 FEAB CCc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 7605794 QEKAOZWDYXUDMF-ZDUSSCGKSA-N 372.446 2.271 0 40 FEAB Cc1cc(C)nc(SCC(=O)OCC(=O)c2ccc3c(c2)OCO3)n1 7813739 JAPLLPVWNXHVSZ-UHFFFAOYSA-N 360.391 2.340 0 40 FEAB CC(C)C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 24843114 LNQJGMJNDAZZSN-LJQANCHMSA-N 356.470 2.349 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c1 1839164 PFRFPUIFDBUYHH-UHFFFAOYSA-N 361.419 2.008 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)o3)C2=O)c1 58182754 HDXKHSAJPWTGMM-SFHVURJKSA-N 357.366 2.002 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)on1 58175216 CEYGHUSVFPRFHU-UHFFFAOYSA-N 372.381 2.138 0 40 FEAB CCN([C@@H](C)COC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58268332 SYLDXOCHOUHNBK-AWEZNQCLSA-N 354.472 2.167 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2)c1 102013342 PZOLHLTWVGDAPM-YHUYYLMFSA-N 357.797 2.252 0 40 FEAB Cc1nc(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)sc1C 58378112 AEVWVOQMNJQALH-CQSZACIVSA-N 365.480 2.085 0 40 FEAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(-c2ccccc2)c1 58357890 SZFHBKXVEAPLGR-OAHLLOKOSA-N 357.435 2.448 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1cccs1 10737281 MNXLUPYBSBGZAW-UHFFFAOYSA-N 356.451 2.343 0 40 FEAB CN(C)S(=O)(=O)c1ccc2oc(SCc3nccn3C)nc2c1 59337831 YOTZETYMIWTLEL-UHFFFAOYSA-N 352.441 2.104 0 40 FEAB O=C(CN1CSCC1=O)NCc1cccc(OCc2ccccc2)c1 48363697 XUEHWBNWEAZYII-UHFFFAOYSA-N 356.447 2.415 0 40 FEAB CC(C)CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 20354077 XSBKHBBYKSMAAQ-QGZVFWFLSA-N 371.481 2.050 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 3531953 CNNGZNRWEAELMM-QLJPJBMISA-N 350.444 2.218 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 12941833 WXJHZVCVXRLQSR-UHFFFAOYSA-N 362.455 2.066 0 40 FEAB CN1CC(=O)N(CCCC(=O)Nc2nc3ccc(F)cc3s2)C1=O 39978445 SVAMDVRKOSSFFW-UHFFFAOYSA-N 350.375 2.048 0 40 FEAB C[C@@H](NCCN1N=C(c2ccccc2)CCC1=O)C(=O)Nc1nccs1 65433533 WAAQQTZOAZEKNA-CYBMUJFWSA-N 371.466 2.086 0 40 FEAB COc1ccccc1N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 5427222 BWLHTYCXIUAZOP-KRWDZBQOSA-N 365.433 2.219 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cnc3sccn3c2=O)c1 28233313 BMPIFYYHTCMULU-JTQLQIEISA-N 359.407 2.264 0 40 FEAB NC(=O)c1cc(NC(=O)CCc2nc3ccccc3s2)cc(C(N)=O)c1 6939028 WLYPJGOVMYLGLU-UHFFFAOYSA-N 368.418 2.065 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1C 15376037 XFNTZXYDSVMCOR-ZDUSSCGKSA-N 373.478 2.341 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2c(C)cccc2C)c2ccccc2O1 7252797 VOOMQKPMSLAJIV-QGZVFWFLSA-N 353.422 2.256 0 40 FEAB CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@H](N)Cc1ccccc1Br 90677609 PDQXNJGKJDCLCU-VXGBXAGGSA-N 358.232 2.361 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCC2)cc1 408597679 VTLOYUHLQCSQLP-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 7911613 YNWRGLWFGCQWPN-FQEVSTJZSA-N 368.433 2.415 0 40 FEAB Cn1ccnc1-c1cccc(NC(=O)c2ccc(OCC(N)=O)cc2)c1 69370272 KBRLFXWROPLYNS-UHFFFAOYSA-N 350.378 2.204 0 40 FEAB CCCNC(=O)CN(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 9791398 LAOCZZPCWBPQFY-GOSISDBHSA-N 363.458 2.323 0 40 FEAB O=C1CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1 8708738 RSXIGAZPYYNYKB-UHFFFAOYSA-N 369.265 2.095 0 40 FEAB O=C(COC(=O)[C@@H]1CSCN1C(=O)C1CC1)c1ccccc1Cl 97124465 TUANJHXPUMSJRL-ZDUSSCGKSA-N 353.827 2.377 0 40 FEAB CCn1ncc2cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c(C)nc21 507662944 BLBJQVRTMWBNNL-UHFFFAOYSA-N 373.438 2.383 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1C 408597905 WIRXWAOGCJVOMX-UHFFFAOYSA-N 352.843 2.487 0 40 FEAB COc1ccccc1CNC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1322334 VWJDEUFNNQNDBZ-UHFFFAOYSA-N 350.374 2.202 0 40 FEAB biogenic O=C(NCC1CCS(=O)(=O)CC1)c1ccc2nc(C(F)F)[nH]c2c1 535194716 FTTGRJQXTVVEJF-UHFFFAOYSA-N 357.382 2.055 0 40 FEAB CCOc1cccc(N2CCN(c3ncncc3Br)CC2)n1 125101395 AQFFXFXRBPVWAK-UHFFFAOYSA-N 364.247 2.359 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 217668238 DZCSPEGHAJYTKI-LBPRGKRZSA-N 358.460 2.156 0 40 FEAB CCOC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CO)cc(=O)c1O 72324493 HZSHHQBSBIYTNK-OAHLLOKOSA-N 369.373 2.471 0 40 FEAB biogenic COc1cccc(Cn2cc(S(=O)(=O)N3CCCCC3)ccc2=O)c1 49410360 DLUNKTPTYAMRNX-UHFFFAOYSA-N 362.451 2.080 0 40 FEAB COc1ccc(CC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 224352296 FBZWGCZITJIZLP-UHFFFAOYSA-N 355.442 2.333 0 40 FEAB O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccc2cccnc12 225716420 JUXGDPCWJWFTOB-UHFFFAOYSA-N 354.431 2.043 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccncc1 40040409 WPZPJEJGKWWYAA-UHFFFAOYSA-N 350.304 2.336 0 40 FEAB CCCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 224347191 AVYJTLRSSPPVHE-UHFFFAOYSA-N 368.499 2.329 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)N2CCC[C@H]2C2CCOCC2)c1 582484456 KZLNFRSSEQXTKC-INIZCTEOSA-N 353.440 2.106 0 40 FEAB Cc1ccnc(N2CCN(C(=O)Nc3cc([C@@H]4CCCO4)nn3C)CC2)c1 333001722 AYJUHIZPHWMBIA-INIZCTEOSA-N 370.457 2.329 0 40 FEAB O=C1NC2(CCN(C(=O)c3ccncc3F)CC2)C[C@@H]1c1ccccc1 96069533 RGQBPWIDTONGRF-MRXNPFEDSA-N 353.397 2.499 0 40 FEAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)c1 96058536 MWKWBCVHCRTEBL-HSALFYBXSA-N 351.450 2.296 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106905 FNDMNHVADQBXDZ-KRWDZBQOSA-N 353.422 2.457 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccc(F)c1)C2 96238108 ZNYRKMRPHAWQEK-IBGZPJMESA-N 373.453 2.451 0 40 FEAB O=C(Cc1ccccc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240876 DAPYKYGUMLLMSK-SFHVURJKSA-N 356.466 2.107 0 40 FEAB Cc1cc(CN2CC[C@H]3O[C@H](C(=O)Nc4cccnc4C)CC[C@H]32)no1 96065372 OGXVEZZABNGANA-KURKYZTESA-N 356.426 2.447 0 40 FEAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccccc1C)CC2 248170295 VPLDWVXRJTUXGY-SFHVURJKSA-N 366.527 2.115 0 40 FEAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248323281 XOIFHGZGMWBMCE-KJOVKWNASA-N 372.465 2.484 0 40 FEAB COc1ncccc1CN1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 247847981 NPIVXSUPLJGTFE-KRWDZBQOSA-N 369.469 2.150 0 40 FEAB CCn1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cn1 249688113 HXZBQEBQYTWJRD-QGZVFWFLSA-N 351.516 2.406 0 40 FEAB CC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257273849 NIMQOWOAQDALJV-INIZCTEOSA-N 371.485 2.139 0 40 FEAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257295201 QXKFTIPEZKXUDC-IBGZPJMESA-N 358.417 2.028 0 40 FEAB CCCCc1nc(CN2CCO[C@@H](c3nccc(CN(C)C)n3)C2)c[nH]1 257213318 CHAYVBLPAWHEPI-QGZVFWFLSA-N 358.490 2.177 0 40 FEAB COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1 591104461 QPNJRVJDIKBGOI-UHFFFAOYSA-N 352.394 2.223 0 40 FEAB CN1C(=O)C[C@H](C(=O)Nc2c3c(nn2C)CSC3)[C@H]1c1ccccc1 604419034 OASJJQSFURNHQB-BLLLJJGKSA-N 356.451 2.325 0 40 FEAB CCOc1cc(Cl)ccc1C(=O)NCC(C)(C)N1CCN(C)CC1 1116504847 YZDHRHXEZFQJBX-UHFFFAOYSA-N 353.894 2.495 0 40 FEAB CCn1ncnc1CNC(=O)N1CCC(c2ccc3cccnc3n2)CC1 654552849 SMITVBUOKQYXSC-UHFFFAOYSA-N 365.441 2.330 0 40 FEAB Cc1cnc(C)c(N2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccc(C)s2)C3)n1 1772703277 CYFNSVGVHDWLES-HOTGVXAUSA-N 372.494 2.441 0 40 FEAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2C1 96096298 SVVRLBCCDNKXQY-UHFFFAOYSA-N 365.411 2.217 0 40 FEAB O=C(c1ccncc1F)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414543 AZOHDGKBGMNQKK-AWEZNQCLSA-N 354.428 2.284 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 575403428 IDTGWKDAFYUBBN-GOSISDBHSA-N 354.406 2.378 0 40 FEAB CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc4ccccc4n3)n2C)C1 574293358 VLYLPUXOGHDZJB-HNNXBMFYSA-N 364.453 2.335 0 40 FEAB CC1CC(C(=O)N2CCC[C@]3(CCN(CC4CCN(C)CC4)C3=O)C2)C1 585100918 GBPAKHKFOHNFLV-IAYYMHMVSA-N 361.530 2.215 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 585104682 KWWRJYUWHNYKKL-QGZVFWFLSA-N 368.499 2.209 0 40 FEAB Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2ccc(F)cc2Cl)n[nH]1 685940132 UTXABXRIIANWMA-NHYWBVRUSA-N 352.797 2.342 0 40 FEAB Cc1c(C(=O)N(C)C[C@@H](O)CN2CCOCC2)sc2ccc(F)cc12 82985410 XUHJNYVLBDILIH-CQSZACIVSA-N 366.458 2.114 0 40 FEAB O=C(Nc1ccccc1F)N1CCCSC[C@H]1CN1CCOCC1 90609214 NPHJAQARVBEAJQ-CQSZACIVSA-N 353.463 2.497 0 40 FEAB NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc3[nH]cc(C=O)c3c2)C1 1629970525 JYDKBDLMZLSUJN-OAQYLSRUSA-N 361.401 2.250 0 40 FEAB O=C(CC(F)(F)F)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156530 JMYGCZXIIZTBHU-MRXNPFEDSA-N 356.344 2.363 0 40 FEAB COCCCn1c(C)nnc1SCC(=O)Nc1ccc(OC)cc1 5018128 HOQCTARLDMAMOR-UHFFFAOYSA-N 350.444 2.362 0 40 FEAB CCc1c(C)nc(SCC(=O)Nc2ccc(OC)c(OC)c2)[nH]c1=O 5155330 DJYVLAPJDKIXIK-UHFFFAOYSA-N 363.439 2.389 0 40 FEAB COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)Cc2nonc2C)c1 12085273 KCEOYCYUDAUBKF-PMUMKWKESA-N 357.410 2.388 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCOC3)nn2c1O 12161800 VJYMLSSVDYGGDF-CJNGLKHVSA-N 358.442 2.396 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1O2 12183826 IGDIXRSCIJRISV-FQEVSTJZSA-N 369.421 2.365 0 40 FEAB CN(C)c1ncc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cn1 12197082 VNUXXKSYXLBODO-UHFFFAOYSA-N 353.426 2.421 0 40 FEAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@@H]1CCS(=O)(=O)C1 14671152 MUDDPHYRPNSFCQ-MRVPVSSYSA-N 358.391 2.462 0 40 FEAB O=C(c1ccnc(N2CCCC2)c1)N1CCC(CCN2CCOCC2)CC1 19657499 GFQFZTBADMCCLK-UHFFFAOYSA-N 372.513 2.256 0 40 FEAB O=C([C@@H]1CCOC1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147559 SXVGNIOHZVMKME-GOSISDBHSA-N 367.449 2.185 0 40 FEAB COCc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 5254198 MHELBMVSQQVDFV-UHFFFAOYSA-N 356.378 2.016 0 40 FEAB Cc1nc(N2CCO[C@H](C(=O)N3CCCCC3)C2)cc(C(F)(F)F)n1 1888834317 BPSRUNMIVZBACR-LBPRGKRZSA-N 358.364 2.022 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4nc(C5CC5)ns4)C[C@H]3C2)c1F 1888866614 GYNHBHDWEKUZDB-VXGBXAGGSA-N 360.462 2.480 0 40 FEAB Cc1cnccc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984620 HLTFRUFZWMKXDQ-NRFANRHFSA-N 365.433 2.286 0 40 FEAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)cc1 4518713 COKJMFSZGCZPIU-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 7421298 MIIFLLGPJODSFA-UHFFFAOYSA-N 367.409 2.071 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccsc1 8863665 NPHWQSOZHWXJFP-CQSZACIVSA-N 353.394 2.384 0 40 FEAB Cc1cccc(CC(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)c1 10034417 CIFLSMIDJNKEFH-UHFFFAOYSA-N 359.389 2.203 0 40 FEAB O=C(c1ccnc(C(F)(F)F)c1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772149 BJNCETJCUAXWPG-OLZOCXBDSA-N 353.344 2.041 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@H]4C3)n1)CCC2 585617405 KDAGNJWIDWJYFU-HOTGVXAUSA-N 350.470 2.253 0 40 FEAB O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@H](c2ccc(O)cc2)N1 11665637 ZYRZOFGEQWPPBR-KRWDZBQOSA-N 353.353 2.182 0 40 FEAB O=C(NCCN1CCc2ccccc2C1)N1CCN(c2nccs2)CC1 40068004 PYQGHLMIIMHYTG-UHFFFAOYSA-N 371.510 2.033 0 40 FEAB COC(=O)[C@@](NC(C)=O)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 20102474 DRTXHSCJAAPIRC-SNVBAGLBSA-N 360.119 2.368 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)NCCc3ccccc3)CC2)C[C@H](C)O1 31101180 UHDFIFPSMGNMHZ-IRXDYDNUSA-N 373.497 2.287 0 40 FEAB O=C1C[C@@H](Cc2ccc(NC(=O)[C@@H]3CCOc4ccccc43)cc2)C(=O)N1 101219631 KTAWTQAEKWAIBN-RHSMWYFYSA-N 364.401 2.397 0 40 FEAB Cc1ccc(F)cc1NC(=O)CSc1nnnn1C[C@@H]1CCCO1 32828866 JFWWIYRXXRQVMG-LBPRGKRZSA-N 351.407 2.030 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)N(C)Cc1ccccc1N1CCOCC1 32879796 QINRBAZFAKAWDE-UHFFFAOYSA-N 362.861 2.491 0 40 FEAB O=C1O[C@H](C(=O)NCc2ccccc2Cn2ccnc2)Cc2ccccc21 32860031 ZLALMEQHGVTPBN-IBGZPJMESA-N 361.401 2.329 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1 32951668 UESCDQFILPRZPT-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccc(OCC)cc1 102794248 STAYDZHDQROYBY-CXUHLZMHSA-N 364.423 2.004 0 40 FEAB COc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1OC 22630226 JNXZMMJCVDFVRQ-QGZVFWFLSA-N 366.417 2.286 0 40 FEAB CC(C)(C)c1nnnn1Cc1nnc(-c2ccc(Br)o2)o1 47256397 MLBUCRZIQQUIQO-UHFFFAOYSA-N 353.180 2.424 0 40 FEAB COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3nccs3)cc2c1OC 12409904 KFUKOXJVOPOSGA-VIFPVBQESA-N 374.422 2.399 0 40 FEAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 3015840 CHDOWRVRQMKQDC-UHFFFAOYSA-N 367.453 2.411 0 40 FEAB CCc1nc2ccccc2c(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1 8940335 FZHMUSQHLUUADX-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1 928702 XASUEXIBOPHGCL-UHFFFAOYSA-N 361.452 2.141 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)s1 22960318 RXWSBRYYPYIKRO-OAHLLOKOSA-N 365.480 2.305 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 4999923 HOMYFHBYYSVUCA-UHFFFAOYSA-N 371.824 2.153 0 40 FEAB O=C(COCc1cc(-c2ccco2)on1)NCc1ccc2c(c1)OCO2 6876693 NUJIBQYASDMDIX-UHFFFAOYSA-N 356.334 2.496 0 40 FEAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc21 12561965 YHEZNXOPALCISN-LBPRGKRZSA-N 366.421 2.134 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)cc1 8158342 VEXOQODKTVLQBF-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 24689548 WOJHLVNKYWMDDV-XVJNWHFHSA-N 356.875 2.284 0 40 FEAB CCCn1c(=O)n(CC(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc21 24991361 CLMIAUTWBQRYCW-HNNXBMFYSA-N 367.453 2.140 0 40 FEAB CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)COC(C)C)CC2)nn1C 100687642 SSHGQGQRZQAPBY-IYBDPMFKSA-N 350.507 2.297 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)c1 57520857 FSSJHFIXOLHZIK-UHFFFAOYSA-N 374.422 2.308 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 12689605 CQBYKCYTEPIEEM-UHFFFAOYSA-N 350.426 2.032 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCO1 27393105 CPFMLFYXWVXUFI-IUODEOHRSA-N 370.902 2.487 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1COc2ccccc2O1 58178938 IXUSAVVDPIIWNC-GOSISDBHSA-N 353.353 2.468 0 40 FEAB C[C@H](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1 58182549 NFFIMJHPDMLTJW-CYBMUJFWSA-N 360.435 2.490 0 40 FEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 24257226 QRBDRNWYRDHBKL-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1/C=C\c1ccccc1OC 102862305 NYGQOPKTDQIOAU-CKXPSTMWSA-N 362.451 2.018 0 40 FEAB O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48309514 IVNFNWNQSKEXEH-CYBMUJFWSA-N 369.450 2.002 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCCOc1ccccc1F 11354622 GGIVCLIXPKBMRM-UHFFFAOYSA-N 355.369 2.121 0 40 FEAB CCCOC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Br 12977406 IBMRJBUCLQJQGR-UHFFFAOYSA-N 366.233 2.198 0 40 FEAB COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1O 19358968 FOTMTEDXNFEPPJ-UHFFFAOYSA-N 356.422 2.447 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387386 PHQUVNZHPNRIJE-OPQQBVKSSA-N 366.723 2.124 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCCCCC1 14188047 JGESJLPIGAILSB-HNNXBMFYSA-N 363.487 2.381 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1C 14185256 XVMQDCNGYXEIFY-UHFFFAOYSA-N 350.396 2.074 0 40 FEAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cnccn3)n2)cc1 6486170 TXTDDHIIZSTIBS-UHFFFAOYSA-N 370.390 2.404 0 40 FEAB CCOC(=O)c1cccnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 96011499 ZLPUGWDQUOFXNW-UHFFFAOYSA-N 357.385 2.360 0 40 FEAB CC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 6634513 XMZORKVKWBIOKQ-UHFFFAOYSA-N 366.483 2.016 0 40 FEAB COc1ccc(CCNC(=N)NCc2cc(OC)c(O)c(OC)c2)cc1 66245808 YLGYGVCSAMONRR-UHFFFAOYSA-N 359.426 2.275 0 40 FEAB CCCn1c(=O)n(CC(=O)N2CC(=O)Nc3ccccc32)c2ccccc21 7251376 YBKWSQNZCASISC-UHFFFAOYSA-N 364.405 2.198 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 7248133 SPXFDLRKMVZZCF-OAHLLOKOSA-N 361.419 2.350 0 40 FEAB C[C@H]1Cc2cc(C(=O)CSc3ncccn3)ccc2N1S(C)(=O)=O 7417020 JHGJOJSUHZYJBP-NSHDSACASA-N 363.464 2.162 0 40 FEAB CSC[C@@H](C(=O)OCc1c(C)noc1C)N1C(=O)c2ccccc2C1=O 7813870 DQKAIEACSLNVBY-HNNXBMFYSA-N 374.418 2.362 0 40 FEAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 7987090 HKLODFUHTHTSBX-SFHVURJKSA-N 374.462 2.478 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(OC)c2)c1C 9457923 PPRBKAUTOZNJCB-UHFFFAOYSA-N 360.366 2.222 0 40 FEAB CCOC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n1C 8260812 OSSFDJFEAREKBF-JTQLQIEISA-N 366.418 2.179 0 40 FEAB COC(=O)C(=Cc1ccccc1OCC(=O)Nc1ccccc1)C(=O)OC 409045047 XVLWMZVDNHQYAB-UHFFFAOYSA-N 369.373 2.434 0 40 FEAB Cc1ccc(OCCNC(=O)CCc2c(C)nc3ncnn3c2C)c(C)c1 8389704 PMUJIYZRYRGNJQ-UHFFFAOYSA-N 367.453 2.486 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1 70459546 XGTVKYLLIXRYIJ-AWEZNQCLSA-N 350.415 2.001 0 40 FEAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Cl)sc1Cl 97013444 KFOWZQQGBJAAGQ-LURJTMIESA-N 353.256 2.460 0 40 FEAB COC(=O)CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CCOCC1 72314222 UGYBWJSTAVFDJM-KGLIPLIRSA-N 353.365 2.297 0 40 FEAB Cc1cc(OCC(=O)N2CCOC[C@H]2c2ncon2)cc(C)c1Cl 95995340 NXCIYTQSFFEDRY-ZDUSSCGKSA-N 351.790 2.319 0 40 FEAB COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1 56997292 YYSNQAPXGVZRHG-UHFFFAOYSA-N 369.465 2.256 0 40 FEAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1csc(C)n1 306133092 MBOBZNMROUIEFR-AWEZNQCLSA-N 374.528 2.189 0 40 FEAB Cc1cc(C)n([C@H](C)CCNS(=O)(=O)c2cnn(C(F)F)c2C)n1 36614721 PBSMVCRLUIPTOL-SNVBAGLBSA-N 361.418 2.330 0 40 FEAB O=C(NCc1ccc(OC(F)F)cn1)N1CCOc2cc(O)ccc2C1 503526635 HEMXJHRIRXGQME-UHFFFAOYSA-N 365.336 2.493 0 40 FEAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218662538 IVOJQXDNJLFQSY-HRCADAONSA-N 354.834 2.075 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(O)c1)CC(O)=N2 71283446 GGVWNHKSANVTCU-GXTWGEPZSA-N 361.423 2.380 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 48321824 RXROHMXZXPZLRQ-UHFFFAOYSA-N 357.389 2.265 0 40 FEAB COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)cc(OC)c1 49404676 IVYFEWFYDGZIRT-UHFFFAOYSA-N 357.410 2.086 0 40 FEAB Cc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1NS(C)(=O)=O 224088068 UVSZLBBLDILZOP-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB CCOc1ccc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 40030772 IUAWYPNYWPDJHW-UHFFFAOYSA-N 361.486 2.148 0 40 FEAB COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 41014435 KEMNXCXTWFRKEN-GFCCVEGCSA-N 356.378 2.456 0 40 FEAB COc1cc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)ncn1 96217534 KPJJVFVVEDSWEF-LPHOPBHVSA-N 356.426 2.225 0 40 FEAB Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 248101826 DYNHYPXGSFAQGI-UXHICEINSA-N 356.470 2.403 0 40 FEAB CC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cccc3cccnc23)C1 257204638 AVQFFYQRQJCLLX-QGZVFWFLSA-N 363.465 2.481 0 40 FEAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)ccn1 257232863 GMSVJSXEVKCXDE-HNNXBMFYSA-N 352.398 2.489 0 40 FEAB Cc1ccc(C(=O)N2CC[C@](O)(CN(C)Cc3ccc(F)cc3)C2)cn1 257210658 BVPLFDAJZMCWMB-FQEVSTJZSA-N 357.429 2.238 0 40 FEAB COCC(=O)N1CCC[C@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257272199 NBKSIXWDZIFBEZ-CQSZACIVSA-N 369.421 2.269 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@H](C)C2)cc1 260760929 CNGXRUGIOMIKRP-ZDUSSCGKSA-N 356.513 2.288 0 40 FEAB COC(=O)c1cc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)no1 600235329 XWPINHIVGHLUNQ-NOZJJQNGSA-N 370.283 2.126 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 644070454 UYNXXRPRHYRKGU-CFVMTHIKSA-N 358.360 2.303 0 40 FEAB Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC(Nc2cccnn2)CC1 667604829 SHKRRYKZKSCXBP-MAUKXSAKSA-N 356.474 2.254 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1C 90678145 ZPDWUVKSLASWHO-UHFFFAOYSA-N 363.439 2.026 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 96025356 YGNDCTILDDOKCN-QGZVFWFLSA-N 373.430 2.162 0 40 FEAB O=S(=O)(NCCn1cc(-c2ccco2)cn1)c1ccc2c(c1)CCO2 575614679 AQDUNWKOJBYOFP-UHFFFAOYSA-N 359.407 2.057 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)CCc3ccccc3)CC2)C1 585103332 OLAIYXRPFIUMML-HXUWFJFHSA-N 374.525 2.453 0 40 FEAB CCc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)s1 75105742 GQYPUXQDRAGLHQ-UHFFFAOYSA-N 355.423 2.146 0 40 FEAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCCCN1CCN(C)CC1 56398892 VNCJFEDJOGNQIL-KRWDZBQOSA-N 362.518 2.391 0 40 FEAB CC(C)Oc1cncc(S(=O)(=O)N(C)c2ccccc2C(=O)O)c1 634791619 IHDPXWXZIFOGMB-UHFFFAOYSA-N 350.396 2.392 0 40 FEAB Cn1cc(CN2CCC[C@]3(CC2)CC(=O)NCc2ccccc2N3)cn1 1615529355 IDCFMNCOEQQGFA-FQEVSTJZSA-N 353.470 2.277 0 40 FEAB Cn1cncc1CNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595924 STHGRAZQAAPHOY-HBFSDRIKSA-N 366.465 2.128 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 14043416 AMHCIYZUMNKTAK-RYUDHWBXSA-N 368.480 2.301 0 40 FEAB COc1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1 19240589 UURDELLDFCUTPC-CWLKWCNXSA-N 355.438 2.464 0 40 FEAB C[C@]12CCC(=O)N1CCN2C(=O)c1cc(-c2ccncc2)c2cnccc2n1 19461784 JIDFBEQLRXRIJF-NRFANRHFSA-N 373.416 2.486 0 40 FEAB Cc1cc(=O)cc([C@@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)[nH]1 19570196 YLFZZEZDJUSBNI-CQSZACIVSA-N 354.454 2.315 0 40 FEAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)C1 19592604 IFVZPXZNJUMPJC-WBVHZDCISA-N 359.470 2.489 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CCCc2ccccc2)C3)C1 19707179 PIKYGNJXEJPZNE-LJQANCHMSA-N 367.497 2.452 0 40 FEAB COc1cccc(N2CCN(C3CCN(C[C@@H]4CCCO4)CC3)CC2)c1 252510561 ZNSBQXNPMGDSNE-NRFANRHFSA-N 359.514 2.461 0 40 FEAB CN(C)c1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(N(C)C)n1 575603742 JNXRNUKILKPTJV-UHFFFAOYSA-N 374.514 2.193 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc1 1888976947 VFEFTKLMURKQPK-UHFFFAOYSA-N 356.407 2.263 0 40 FEAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1cnn(-c2ccccc2)n1 244975173 IEVOWWSDBHLFOU-SFHVURJKSA-N 359.393 2.030 0 40 FEAB O=C(CN1CCCCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037908999 LMBFOEPWKGSXKF-HXUWFJFHSA-N 364.461 2.434 0 40 FEAB O=C1C[C@@]2(CCN(C(=O)C3(F)CCC3)C2)CN1c1ccc2c(c1)OCCO2 1614930146 SUALOKPSYYEVJK-LJQANCHMSA-N 374.412 2.305 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1083905469 XBVZJENHGDCBDH-LSDHHAIUSA-N 365.437 2.354 0 40 FEAB Cc1ccc(CC(=O)N2CCC3(CC2)CCN(c2ccnn2C)C3=O)cc1 1565542472 DQNQPHIKZUSPQE-UHFFFAOYSA-N 366.465 2.317 0 40 FEAB Cc1cccc(NC(=O)C(=O)NCC2CCN(C3CCOCC3)CC2)c1C 225565354 WGNCFBAPWFERMI-UHFFFAOYSA-N 373.497 2.249 0 40 FEAB CCOC(=O)[C@H](C)Sc1ncnc2c1nnn2-c1ccc(OC)cc1 4166787 VPWSRFDJZBMHPU-JTQLQIEISA-N 359.411 2.263 0 40 FEAB CC(C)CC(=O)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241532 DHDLSSWEXQGKPY-NUEKZKHPSA-N 357.458 2.036 0 40 FEAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC(c2ccccc2)=N1 10423166 DJZZRWQKVOODFT-UHFFFAOYSA-N 366.352 2.279 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2Cl)C[C@@H](C)O1 40039939 JNIIGSGXVCZLTI-CHWSQXEVSA-N 362.879 2.005 0 40 FEAB COC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20031951 WGLGHDWPXKHSDF-UHFFFAOYSA-N 367.449 2.230 0 40 FEAB Cc1cc(C)c(C(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)cc1C 40156486 GSXHYKLCYWURLB-SFHVURJKSA-N 369.417 2.129 0 40 FEAB C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)n1nnc(-c2cccc(F)c2)n1 31734518 FBOVRDODNSCNHR-JTQLQIEISA-N 367.340 2.254 0 40 FEAB NC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)ccc1F 32087068 IHWSOMYDSIIGHC-UHFFFAOYSA-N 372.761 2.077 0 40 FEAB NC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 21463083 RICWORYXMFBYDQ-UHFFFAOYSA-N 350.277 2.125 0 40 FEAB O=C(CCN1CCN(Cc2ccccn2)CC1)N1CCc2ccccc21 22242599 QFIPDVCANNGACJ-UHFFFAOYSA-N 350.466 2.179 0 40 FEAB COc1ccccc1CNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917053 ZSWXZERCWWNODA-UHFFFAOYSA-N 362.389 2.125 0 40 FEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cccc(Br)c1 37591604 YZKBHJUZNODEKC-VIFPVBQESA-N 350.234 2.323 0 40 FEAB in-vitro CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 807317 SLIYVXMFXRZQIG-AWEZNQCLSA-N 354.472 2.155 0 40 FEAB COc1cccc(Cc2cnc(NC(=O)CCSCC(N)=O)s2)c1 23098286 ZPWRIKMQNBWAET-UHFFFAOYSA-N 365.480 2.290 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)Nc1nnc(-c2ccccn2)s1 47789742 QAFBYKGTDXHQIA-UHFFFAOYSA-N 370.442 2.240 0 40 FEAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(OCc2ccccc2)cc1 4122366 IIHSGMKTOKQENC-GOSISDBHSA-N 354.406 2.499 0 40 FEAB Cc1csc2nc(Cn3nc(-c4ccccc4)ccc3=O)cc(=O)n12 54658619 YMPPOPPAVXSERQ-UHFFFAOYSA-N 350.403 2.336 0 40 FEAB O=c1c2c3c(sc2ncn1Cc1cc(=O)n2ccsc2n1)CCC3 6111525 OCCMTRJBFRJUDX-UHFFFAOYSA-N 356.432 2.064 0 40 FEAB CC(C)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 12543786 NFRVYJPKHBUITM-UHFFFAOYSA-N 354.472 2.350 0 40 FEAB CC(C)[C@@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 58074157 UQUXIPRBCHEZCW-QGZVFWFLSA-N 372.469 2.259 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccnc1Cl 8429131 MSUKOPUTUAOCBD-GOSISDBHSA-N 370.796 2.067 0 40 FEAB CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(N)=O 1428446 HMVBGSNEVXZPDX-UHFFFAOYSA-N 368.842 2.316 0 40 FEAB CN[C@@H](c1ccc(Cl)cc1)c1nnnn1-c1ccccc1C(=O)OC 35170753 XQZYZVAVFBFSAG-HNNXBMFYSA-N 357.801 2.411 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O 3296814 IVMIWHQRPPSZOF-UHFFFAOYSA-N 363.845 2.457 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc12 12632618 NMUCPYGTJGLBDF-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CN3C(=O)CSc4ccccc43)cc12 48235630 DVRJLJMJGRAFIX-UHFFFAOYSA-N 367.434 2.354 0 40 FEAB Cc1cc(=O)c(C(=O)NCCn2cnc3ccccc32)nn1-c1ccccc1 58193603 FCBKJHJJVAWDLG-UHFFFAOYSA-N 373.416 2.321 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nnc2n1CCCCC2 45057493 AWGWWOFTQLDPPM-QGZVFWFLSA-N 373.457 2.011 0 40 FEAB CCOC(=O)N[C@@](NCc1ccc(F)cc1)(C(=O)OCC)C(F)(F)F 20065396 OVBAYXBIVLURDY-AWEZNQCLSA-N 366.311 2.483 0 40 FEAB Cc1ccc2nc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n2c1 12854764 OWNCYDIJSDHBNT-UHFFFAOYSA-N 362.433 2.266 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 21668926 ZELKRAWEYRKJFG-GWCFXTLKSA-N 364.389 2.307 0 40 FEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(C)c(O)c(C)c1 28924223 VQFMCZFCEVBRJL-IBGZPJMESA-N 353.422 2.346 0 40 FEAB CCn1c(CNc2ccc(F)cc2)nnc1SCCN1CCOCC1 26098763 PQNUIUZFOLKXCZ-UHFFFAOYSA-N 365.478 2.474 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)C)o2)cc1 3550809 IVSJVAYUPCNZIZ-UHFFFAOYSA-N 350.400 2.072 0 40 FEAB C[C@@H](c1ccccc1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12986361 QVVVYKFSHLJEQG-AWEZNQCLSA-N 351.406 2.300 0 40 FEAB CCOC(=O)c1sc(NC(=O)COc2ccc3c(c2)OCO3)nc1C 5060981 FHBPXDDZXAKHSM-UHFFFAOYSA-N 364.379 2.374 0 40 FEAB Cc1ccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)cc1 14083136 RXSCWHSVLATYAN-UHFFFAOYSA-N 354.406 2.485 0 40 FEAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@@H](C)O1 14188163 MOFJSWWEGUXQPD-GASCZTMLSA-N 366.483 2.111 0 40 FEAB O=C(NC1CCN(C[C@H](O)COCc2ccco2)CC1)c1ccccc1 25304938 SBVISKRSLRPHEO-SFHVURJKSA-N 358.438 2.052 0 40 FEAB c1cc2c(cc1C1=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC1)OCO2 5461681 YEPKAFFSXHHTQM-UHFFFAOYSA-N 366.406 2.244 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 6540675 INZUIBNWURLSIJ-HNNXBMFYSA-N 368.433 2.327 0 40 FEAB COC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 84718106 QLGOKMWZNZDBTF-OLZOCXBDSA-N 368.389 2.391 0 40 FEAB C[C@@H](SCc1ccc(F)cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 15492337 CYQKJIHQDWCUOF-SKDRFNHKSA-N 365.879 2.404 0 40 FEAB CCCC(=O)Nc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 7736527 IEWZKJMFJDAIMS-UHFFFAOYSA-N 351.453 2.472 0 40 FEAB CCc1nnc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)s1 7921372 DTDKXFVYEIZKTH-LLVKDONJSA-N 373.438 2.205 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 9537866 GBOZCKAVOXNZKC-AWEZNQCLSA-N 369.824 2.404 0 40 FEAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc3ncccc23)n1 9576334 KCNSJVXDEFWSOD-UHFFFAOYSA-N 362.798 2.334 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1 8274182 JJQUZSDPWNDLOX-OAHLLOKOSA-N 367.453 2.189 0 40 FEAB C[C@@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)S(C)(=O)=O 69414872 UIFFBYWICHBKJN-AWEZNQCLSA-N 371.462 2.134 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1OC 8718171 ZTMOJGPRDDTRDJ-GOSISDBHSA-N 374.418 2.415 0 40 FEAB COc1cccc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)c1 8769479 NJADKXBQTLIYML-UHFFFAOYSA-N 368.393 2.192 0 40 FEAB Cc1nc(CN2CC[C@]3(C[C@H]4CC[C@H]3N4c3ncccn3)C2=O)cs1 306139722 TYLITDQYMFPWDF-IIDMSEBBSA-N 355.467 2.402 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)s1 306123065 ADUNTFWRRBNTIT-CGTJXYLNSA-N 357.479 2.328 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)NC(C)C 408611539 XJROLBWPDADFAE-UHFFFAOYSA-N 356.488 2.227 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)NCCCO)c1)C2=O 408722444 UHLFAHAOHLWKTA-MGPUTAFESA-N 358.438 2.115 0 40 FEAB CCn1nc(C)c(NC(=O)c2ccc(Br)cc2)c1C(N)=O 72265459 SNWIGFYRNFFILJ-UHFFFAOYSA-N 351.204 2.325 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1OC 32964126 AWHPUVPKTGLEMG-FZKQIMNGSA-N 364.467 2.116 0 40 FEAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCC4CC4)n3)ccc12 32074412 QBZFFIIXABLWSI-UHFFFAOYSA-N 355.350 2.203 0 40 FEAB biogenic CNC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 42114419 UTRSNBICMOLELX-GFCCVEGCSA-N 356.378 2.223 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96046905 HFTUVUNDWRWSAC-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(nc3ccc(Cl)cn3c2=O)O1 96231902 XLJCNSPCVCNZAR-LBPRGKRZSA-N 370.748 2.487 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1F 245228436 YDYGNDKJNOSRGZ-ZLKJLUDKSA-N 350.365 2.317 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247885087 WPQDMVMYOJWICA-ZDUSSCGKSA-N 360.439 2.023 0 40 FEAB Cc1nccc([C@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 257200736 AERGVPXWNZYIMT-SFHVURJKSA-N 353.470 2.408 0 40 FEAB CC(C)n1c([C@@H]2CCCN(C(=O)[C@H]3C[C@@H](O)CN3)C2)nc2ccccc21 262304432 ATBOLAZVFDKBDR-BFYDXBDKSA-N 356.470 2.046 0 40 FEAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@@H]2CCc3ncncc3C2)c1 649251617 ISHMSTWRFCCGLT-ZUOKHONESA-N 369.421 2.096 0 40 FEAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC=C(c3ccco3)C2)C1 671687720 BOGCVNZDVQATLF-UHFFFAOYSA-N 364.467 2.100 0 40 FEAB C[C@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2n1C 605553511 RESHYDPDQMYLAE-JTQLQIEISA-N 353.407 2.134 0 40 FEAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)Nc1nn[nH]n1 1772501123 QWBYRPQVLDFVAR-UHFFFAOYSA-N 354.414 2.135 0 40 FEAB COc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2C2CC2)ccc1Cl 1775960284 DAYNVPYSTJLEJJ-KGLIPLIRSA-N 352.818 2.045 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)cc1C1CC1 1775958258 NEFFIEKTOAMTAO-IAGOWNOFSA-N 354.454 2.134 0 40 FEAB CO[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1cccc(F)c1 96388240 HHIRTVQMSORKFY-QGZVFWFLSA-N 365.426 2.493 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H]3OC[C@@H](C(=O)Nc4cccnc4)[C@H]3C2)cc1 585108497 PEPOSVLULZOUPW-GUDVDZBRSA-N 365.433 2.045 0 40 FEAB Cc1n[nH]c(C)c1C(=O)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974753 OETKBSTUTPDXJB-UHFFFAOYSA-N 367.384 2.086 0 40 FEAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5241519 SKBNZBHAEAWQTP-GOEBONIOSA-N 370.405 2.049 0 40 FEAB O=C1NC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)Oc2ccccc21 12086748 HMMOFUNAJUGGGH-IBGZPJMESA-N 356.447 2.474 0 40 FEAB O=C(NCc1ccccc1)c1cc(Br)ccc1-n1cnnn1 12389429 AMWOSQNCXOHPCE-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2 19017239 WYSSVALYZPUNII-SFHVURJKSA-N 350.422 2.359 0 40 FEAB COc1ccc(CC(=O)N2CCC(c3nn(C)c4nccnc34)CC2)cc1 19289422 RBEOVXNRPBRWDH-UHFFFAOYSA-N 365.437 2.321 0 40 FEAB O=C1CCOC[C@]2(CN(Cc3cccnc3)C[C@H]2c2ccc(F)c(F)c2)N1 19339620 OWCIYSFGSQDXKZ-JXFKEZNVSA-N 373.403 2.235 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCc3cc(=O)[nH]c(-c4ccncc4)n3)ccc2O1 19498003 GHAJNBKCYSYEQH-GFCCVEGCSA-N 362.389 2.085 0 40 FEAB Cc1cn2c(=O)c(C(=O)N[C@@H](CCN(C)C)c3ccccc3)cnc2s1 19717141 IRTBSLTUSDYHNM-INIZCTEOSA-N 370.478 2.487 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@H]2[C@H]1CC=CCC1 9289473 DFZROZILPGRGAB-FUHWJXTLSA-N 370.501 2.264 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 7350901 BRLASWPFEQTFHK-GFCCVEGCSA-N 353.831 2.379 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)C1=Cc2ccccc2OC1 7636723 AHLGCBPGDCQLSN-UHFFFAOYSA-N 367.357 2.431 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4cnccn4)CC3)cnc2c1 1889149526 ZBGRIZZTAXUWSP-UHFFFAOYSA-N 351.410 2.112 0 40 FEAB COCCOC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056225766 BDTNLTXNENUFQP-HNNXBMFYSA-N 356.438 2.365 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1OC 9572715 OVFMZJSJCOWQHT-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCCCc1ccccc1 10254219 XSUIXKUICKDFGD-UHFFFAOYSA-N 365.389 2.219 0 40 FEAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 23127763 OXZQOTDBPPNFSL-LJQANCHMSA-N 354.406 2.219 0 40 FEAB O=C(NCC(=O)N1CC(c2nc(-c3ccccc3)no2)C1)c1ccccc1 49031865 VTCFKHDRWOIDPI-UHFFFAOYSA-N 362.389 2.092 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)NCCn2ccnc2-c2cnccn2)cc1 575610106 SLFSOHCOKBTXFA-AWNIVKPZSA-N 369.450 2.239 0 40 FEAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cc(-c2ccco2)[nH]n1 585150386 UJZMMNWMKZBLAI-UHFFFAOYSA-N 351.366 2.122 0 40 FEAB Cc1cc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)ccc1F 22131129 LIAJRNZDWKKOTQ-UHFFFAOYSA-N 361.417 2.347 0 40 FEAB Cc1ccc(C)c(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1 32620480 UFYKFTZWUWMATK-UHFFFAOYSA-N 352.442 2.176 0 40 FEAB COc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1NS(C)(=O)=O 32772015 YWHAUWDNWDMTTC-UHFFFAOYSA-N 370.427 2.040 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)[C@H]1CCCCN1c1ncccn1 32809887 KGKFNIIYTKRFEY-OAHLLOKOSA-N 374.466 2.099 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(C)cc1 32900185 OSPQNISVVXZYJR-MRXNPFEDSA-N 365.389 2.037 0 40 FEAB CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(-n3nccn3)cc2)CC1 53113202 DNQVVDLQAPEMJK-UHFFFAOYSA-N 370.457 2.380 0 40 FEAB O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](C(=O)N2CCOCC2)C1 41794460 WBCKMAFTCCETJL-INIZCTEOSA-N 369.421 2.053 0 40 FEAB O=S1(=O)CC[C@H](Cc2nnc(SC[C@@H]3CC3(Cl)Cl)o2)C1 22327646 ZOLHRFLKWJPURD-SFYZADRCSA-N 357.284 2.333 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)c1C 23718742 MHFHDRXHPPBTBD-OAHLLOKOSA-N 370.453 2.207 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487851 ISJGDIULGGMPOM-PAURTPPISA-N 367.373 2.161 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccnc1N1CCCC1 23995540 IHFLTEVENSNOME-UHFFFAOYSA-N 353.422 2.426 0 40 FEAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C(C)C)cc1 6709404 XSDLXSGTICWBCK-UHFFFAOYSA-N 352.485 2.379 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccc2c(c1)OCCO2 24652768 HCCNOGMSAKXYPZ-HNNXBMFYSA-N 355.390 2.299 0 40 FEAB CN(Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 8726882 ZMPKUBJOOOSKSL-UHFFFAOYSA-N 371.455 2.269 0 40 FEAB C[C@H](NC(=O)NC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106522157 BOABYMUYASKSGQ-YXWQFLTLSA-N 368.437 2.047 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cn1 56167155 IRKJRHQIWUVLPN-INIZCTEOSA-N 354.454 2.235 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1c(=O)oc2ccccc21 12621812 MNOBDQPPONVIAQ-UHFFFAOYSA-N 351.362 2.358 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1 27393097 CPFMLFYXWVXUFI-SWLSCSKDSA-N 370.902 2.487 0 40 FEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 58184456 AGOYCYREGKEENL-MRXNPFEDSA-N 365.361 2.432 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2c(C)cccc2C)CCO1 58209756 FCEOMSWETADERS-AWEZNQCLSA-N 361.471 2.009 0 40 FEAB Cc1cccc(OCCNC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 58201397 FRXUMZXHZHHOPD-UHFFFAOYSA-N 368.437 2.132 0 40 FEAB COc1ccc(C)cc1NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 12780032 WUXIUYHKZDCCBQ-INIZCTEOSA-N 352.394 2.062 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2OCC)CC1 27823616 VNAXCTSNMFYGFF-UHFFFAOYSA-N 370.471 2.165 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)no1 27939790 YTGDYDSEJLQDRY-LBPRGKRZSA-N 365.430 2.138 0 40 FEAB COCCN1CC2(CCC1=O)CCN(Cc1ccc3c(c1)CCO3)CC2 108533700 AXIGWOUOVRUSBN-UHFFFAOYSA-N 358.482 2.473 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10760729 CDTLLBNRLZEHMQ-UHFFFAOYSA-N 372.446 2.369 0 40 FEAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc(C)cc2)CN=3)c1 2362328 HGHKPEYFRCESOW-WQRHYEAKSA-N 365.458 2.110 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 48325215 ZRYGLXKYFZRERR-UHFFFAOYSA-N 356.378 2.307 0 40 FEAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 101170836 VMPLOLLWEOXXKB-IPMKNSEASA-N 363.417 2.231 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)[C@@H](C)CCC3 2440243 FSEJHXAOIFGERL-DTWKUNHWSA-N 359.455 2.198 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccccc1N1CCOCC1 22277367 XUAXHUIOGGGOOG-UHFFFAOYSA-N 356.470 2.075 0 40 FEAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC2(CC1)OCCO2 2497031 RYTODPRDLHIJTR-KRWDZBQOSA-N 366.502 2.463 0 40 FEAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1 29755806 VFYYZYQABSSUIW-UHFFFAOYSA-N 374.462 2.314 0 40 FEAB O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)OCO2 11999378 CDHBWQSIMBUIIJ-CQSZACIVSA-N 364.423 2.124 0 40 FEAB Cc1cc(N)nc(SC[C@@H]2Cn3c(nnc3-c3cccnc3)S2)n1 95465687 XWHZCDNBDZSCMT-NSHDSACASA-N 357.468 2.287 0 40 FEAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 12937863 MHCLDLOKDFYETL-GXSJLCMTSA-N 368.850 2.020 0 40 FEAB CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)N2CCSCC2)[C@H]1C(=O)O 71282152 BNDYOXXKHWLFCF-KGLIPLIRSA-N 362.451 2.171 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 63161874 ZDBWICXXUBRKGZ-SNVBAGLBSA-N 355.320 2.326 0 40 FEAB Cc1c(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cnn1C 13296806 ZEBZUEFXSOWNRI-UHFFFAOYSA-N 355.438 2.367 0 40 FEAB Cc1ccc(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 4495226 WHPRVRZKIMIHPP-UHFFFAOYSA-N 358.419 2.167 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 65522691 IYULEHFFIFBKLZ-LSDHHAIUSA-N 370.902 2.231 0 40 FEAB COc1cc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc(OC)c1OC 6611459 WGXYDGAYUZFTBA-GFCCVEGCSA-N 351.399 2.128 0 40 FEAB CCOC(=O)c1sc(NC(=O)COC(=O)/C=C/c2ccco2)nc1C 5870653 UVNTVGLLSRZZMG-VOTSOKGWSA-N 364.379 2.416 0 40 FEAB CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20105963 NVEUSRHJIHJHRV-GOSISDBHSA-N 366.527 2.433 0 40 FEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(c2ccccc2)CC1 9338585 LJEWLZAOLMHAJK-UHFFFAOYSA-N 369.465 2.045 0 40 FEAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C(N)=O 15686103 NDJAXNDFDJJFIL-JTQLQIEISA-N 371.418 2.441 0 40 FEAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(C(N)=O)cc1 7577597 TWPZXFBTTXOYJV-MRVPVSSYSA-N 363.468 2.331 0 40 FEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc2c(c1)C(=O)NC2 69921548 QGHLAAPRKSSZRA-LJQANCHMSA-N 363.417 2.405 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)CC(C)C)(c2ccccc2)CC1 97175551 RYBOVUUKIYWOAY-UHFFFAOYSA-N 366.527 2.484 0 40 FEAB C[C@H](C(=O)NC[C@](O)(Cc1ccccc1)c1ccccc1)n1cncn1 72304407 ZGAQSHMWIMRSLR-OXQOHEQNSA-N 350.422 2.086 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 306127247 FTBDXFJJABCKCO-HNNXBMFYSA-N 359.413 2.235 0 40 FEAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 20457097 FJYVHXNIPSBFJD-UHFFFAOYSA-N 358.375 2.283 0 40 FEAB NC(=O)C1CCN(c2nc3c(c(Nc4ccccc4)n2)C(=O)CCC3)CC1 20673159 METKQAXOQFCRJE-UHFFFAOYSA-N 365.437 2.441 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 35855868 CXAZEADRWYTSEP-DNVCBOLYSA-N 351.450 2.461 0 40 FEAB O=S1(=O)N[C@H]2CN(Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 306126057 DKUXKWXVADZSOV-FUHWJXTLSA-N 373.478 2.041 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccc(O)cc1 524729404 SBFMANJHZAYGDZ-MDKPJZGXSA-N 366.417 2.161 0 40 FEAB biogenic CCn1cc(CN2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)cn1 306133229 MGAPMVDMGNERHN-IHPCNDPISA-N 356.470 2.352 0 40 FEAB Nc1nc(N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc2nncn12 1529171791 BSLLPNOACVHYGP-RZQQEMMASA-N 364.453 2.363 0 40 FEAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3ccccn3)CC2)on1 72396451 HAZYTCHNRAUWMT-UHFFFAOYSA-N 365.393 2.148 0 40 FEAB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 225225530 KFSXQCFMTVAIKQ-XJKSGUPXSA-N 356.488 2.401 0 40 FEAB CC(C)CC(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145075 CZNVOLUOPDIIFM-UHFFFAOYSA-N 366.483 2.012 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(C(=O)c3cscn3)[C@H]2C1 96090594 YPTLFGDDGLIQEM-DOMZBBRYSA-N 361.854 2.322 0 40 FEAB Cc1ccccc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259348 LLZIYIWNRISHJP-UHFFFAOYSA-N 352.438 2.360 0 40 FEAB COCCN1C(=O)C[C@@H](c2ccccc2)C12CCN(CCN(C)C)CC2 96069708 CFHOTJDZIXSTQV-IBGZPJMESA-N 359.514 2.045 0 40 FEAB C=Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c(C)n1 257289049 PWTPTWSGRLFABB-LPHOPBHVSA-N 366.469 2.180 0 40 FEAB Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CCO2)cn1 267634979 GLLQFYMRTZAFMB-PMACEKPBSA-N 368.481 2.375 0 40 FEAB COc1cc2nc(CN3CCC[C@@H](n4ccnc4)C3)nc(O)c2cc1OC 591081935 BWKARXVZIHSIOR-CYBMUJFWSA-N 369.425 2.386 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)cc1 1304008485 QTJBWLHRNQXVOA-QGZVFWFLSA-N 352.390 2.379 0 40 FEAB O=C1C[C@@H](C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CN1Cc1ccco1 614844366 RJGJQSKPZYYRKR-OCCSQVGLSA-N 374.359 2.198 0 40 FEAB CS(=O)(=O)c1cc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc(C(=O)O)c1 630139939 GFZICWVMWSWOJJ-GVDBMIGSSA-N 371.414 2.313 0 40 FEAB COC(=O)c1ccc(C(=O)NCCc2csc(-n3cccn3)n2)cc1 90703359 RKFDTMKIXOUHRX-UHFFFAOYSA-N 356.407 2.088 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2O1 39975695 JISBENJCCMVINM-GOSISDBHSA-N 363.373 2.453 0 40 FEAB Cc1[nH]c2ccc(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2c1C 83014158 IXUVUZRJFPCZKQ-SFHVURJKSA-N 355.438 2.294 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)N[C@@H]1CCCc2ccccc21 5538927 QOTQPRQTGKWQSV-QGZVFWFLSA-N 358.438 2.126 0 40 FEAB CC(C)n1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)cn1 12089262 OGXAXOYHZMQCNR-LJQANCHMSA-N 353.426 2.252 0 40 FEAB COc1cccc([C@@H](NC(=O)c2ccccn2)c2nccn2C)c1OC 12114971 JJOCRCPUWSDNLL-MRXNPFEDSA-N 352.394 2.352 0 40 FEAB Cc1ncc2c(n1)C1(CCN(C(=O)c3cc(C(C)C)n[nH]3)CC1)OCC2 12128956 HFDBROCVNZRDCD-UHFFFAOYSA-N 355.442 2.336 0 40 FEAB CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccccc3)CC2)C1 12481319 ZOAKWZQGDBPCKQ-OALUTQOASA-N 373.497 2.158 0 40 FEAB biogenic,in-vitro C[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1 19079233 KPBLDGFSGORDKO-ZDUSSCGKSA-N 359.401 2.086 0 40 FEAB O=C(Cn1ccnc1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 19293110 XEBQTIWEXATYQV-UHFFFAOYSA-N 354.332 2.377 0 40 FEAB C[C@@H](CC(=O)N1CCc2nc([C@H]3CCCCN3C)ncc2C1)n1cccn1 19455373 MVTKYVNRLAWGNE-MAUKXSAKSA-N 368.485 2.366 0 40 FEAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2c(C)cccc12 19500305 NOUQUJHUGTYZSL-KRWDZBQOSA-N 356.514 2.469 0 40 FEAB Cc1noc([C@H]2CN(CC(=O)N3CCCc4ccccc43)C[C@@H](C)O2)n1 625906505 HXIYWBGWRBIABK-CXAGYDPISA-N 356.426 2.119 0 40 FEAB COC[C@@]1(NC(=O)c2cc(C(F)(F)F)n[nH]2)COc2ccccc2C1 529962440 ZHQKHXSOWCCHCC-OAHLLOKOSA-N 355.316 2.179 0 40 FEAB Cn1c(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)cccc1=O 1565549185 RBPJVSVZUHBIIH-UHFFFAOYSA-N 366.396 2.156 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565552829 YERKQBOOCKEXQV-AWEZNQCLSA-N 366.412 2.474 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c(C)c1 4479246 OZZFJACOFQOPEN-UHFFFAOYSA-N 365.437 2.212 0 40 FEAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1c(F)cccc1F 9570879 PGURXVFHOJSEEY-UHFFFAOYSA-N 351.263 2.149 0 40 FEAB Cc1ccc(NC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)cc1C 20488798 ZNRGYEYGHZJBFW-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ncccc3F)CC2)c1 1610977213 ZEBLXXXMDNALAH-UHFFFAOYSA-N 370.384 2.013 0 40 FEAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccccc1S(C)(=O)=O 40040691 QKCBDHUVLKLTOQ-UHFFFAOYSA-N 373.430 2.470 0 40 FEAB C[C@@H](OC(=O)c1ccc(N)cc1Cl)C(=O)Nc1sccc1C(N)=O 40158637 ANVRNYDBCHIBDB-SSDOTTSWSA-N 367.814 2.267 0 40 FEAB COC(=O)c1cnc(NC(=O)[C@H](C)OCc2cccc(OC)c2)s1 31713021 YKKPMCXLZFAMBS-JTQLQIEISA-N 350.396 2.482 0 40 FEAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12 20605277 AITKNUAVRFKATC-UHFFFAOYSA-N 370.478 2.457 0 40 FEAB COc1ccccc1CCNC(=O)CCNC(=O)c1ccccc1OC 32986559 PYEGEGNMTVJWNU-UHFFFAOYSA-N 356.422 2.183 0 40 FEAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cnc(C2CC2)nc1 103019458 DIXCWVYGUVCOKG-UHFFFAOYSA-N 352.394 2.498 0 40 FEAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 41815281 ZROBTBROCKQYDS-OAHLLOKOSA-N 372.450 2.023 0 40 FEAB CC(C)[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)N1CCCc2ccccc21 61470509 RENLVDIFYMNWKB-CRAIPNDOSA-N 358.438 2.060 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 3188556 PKTGIJSDEHZMAB-UHFFFAOYSA-N 366.439 2.005 0 40 FEAB CCCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 2109437 MHYSYYXGTKZGOS-HPEXNQPKSA-N 354.428 2.006 0 40 FEAB COc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1 54253905 NJJJKFFWBORTRP-GOSISDBHSA-N 354.406 2.451 0 40 FEAB CS(=O)(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 23628509 QRKIKUVGOVVQJO-KRWDZBQOSA-N 359.451 2.490 0 40 FEAB Cc1ccccc1-n1ccnc1SCC(=O)NCCC(=O)N1CCCC1 12530484 MVNSYAINVIFDRA-UHFFFAOYSA-N 372.494 2.402 0 40 FEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 23806035 HJDWABBLPPMDIT-UHFFFAOYSA-N 355.393 2.342 0 40 FEAB C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 28223585 FJJQQKCBVXHQDG-JKSUJKDBSA-N 350.484 2.346 0 40 FEAB COCCn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc21 57428946 NJRVCIVWLFCEDQ-UHFFFAOYSA-N 363.421 2.303 0 40 FEAB Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)[nH]c(=O)c2[nH]1 57520775 YWMPFEPDVYTTPX-UHFFFAOYSA-N 357.439 2.356 0 40 FEAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c(OC)c1 21110474 GRDOOROFGIYIAW-LBPRGKRZSA-N 357.410 2.024 0 40 FEAB CC(=O)c1cccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 48235098 SCJAOZIFXBUFQM-UHFFFAOYSA-N 355.394 2.138 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 58169229 VJLQDEYWLKFFEH-LSDHHAIUSA-N 367.519 2.118 0 40 FEAB O=C(NCc1ccc(OCC2CC2)nc1)[C@H]1CCCN(c2ncccn2)C1 58193092 MHZQXTQTKLFPKU-KRWDZBQOSA-N 367.453 2.193 0 40 FEAB FC(F)(F)c1ccn(-c2ccc(CNc3ccc4nnnn4n3)cc2)n1 58162600 OEDLYUDIQYQQHR-UHFFFAOYSA-N 360.303 2.336 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C[C@@H](C)O1 36488123 WUOHXYDFERFYDV-IOASZLSFSA-N 364.471 2.054 0 40 FEAB CC(C)/N=c1\ccccn1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11374293 HXCIAEXYMUUZDO-CZIZESTLSA-N 373.478 2.270 0 40 FEAB Cc1nn(C)c2ncc(C(=O)O[C@H](C)C(=O)N(C)Cc3ccccc3)cc12 36713376 PARBFLQEUAGTHN-CQSZACIVSA-N 366.421 2.481 0 40 FEAB CCOCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 36714562 UGSKKBCUABEGST-KRWDZBQOSA-N 356.422 2.390 0 40 FEAB CCCn1c(C(=O)N(CC)C2CCCCC2)cc2c(=O)n(C)c(=O)n(C)c21 11845268 UJWCZUPXGMXYFH-UHFFFAOYSA-N 374.485 2.244 0 40 FEAB COc1ccccc1OCC(=O)N1CCN(Cc2nc(C)cs2)CC1 21687022 NDCVXKLWYRAIBB-UHFFFAOYSA-N 361.467 2.183 0 40 FEAB C[C@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccc(Cl)cn1 3425210 MVKYUSIYMCAKFM-VIFPVBQESA-N 367.814 2.097 0 40 FEAB COCCn1c(SCC(=O)NC(=O)c2cccn2C)nc2ccccc21 3543184 KCJRCVDGIJOYRD-UHFFFAOYSA-N 372.450 2.070 0 40 FEAB COCCCNC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 409145497 QNPWAOUKHYQFHS-DHDCSXOGSA-N 373.434 2.118 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccc(Cl)nc2)c1OC 72330790 YDFARCCDXJKPCU-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCc2ccc(F)cc2)c2ccccc21 4045009 BIAUBSXSULNKBW-LPHOPBHVSA-N 368.364 2.302 0 40 FEAB biogenic Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)NCCC3=CCCCC3)nc2n1 5021363 BUBVWVVNLSURRX-CQSZACIVSA-N 371.441 2.293 0 40 FEAB CCOC(=O)Cc1csc(NC(=O)c2ccc([S@](C)=O)cc2)n1 65492608 ONBNFLRBFYUTDJ-HSZRJFAPSA-N 352.437 2.238 0 40 FEAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)no1 14077299 RDLOWXFENCPUPF-UHFFFAOYSA-N 357.288 2.293 0 40 FEAB CC(C)Cn1nnn(CN2CCC(NC(=O)c3ccccc3)CC2)c1=S 14138173 JVOVVJZABCCWEA-UHFFFAOYSA-N 374.514 2.317 0 40 FEAB CCn1nc(C(=O)OCc2cc(C(=O)OC)c(C)o2)c2ccccc2c1=O 14138328 QVRBJPQJJDWJDO-UHFFFAOYSA-N 370.361 2.461 0 40 FEAB Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1C[C@@H](C)O[C@H](C)C1 19793584 GYIBDEDBVIYNMN-HUUCEWRRSA-N 371.481 2.282 0 40 FEAB O=C(NCCCN1CCCC1=O)C1CCN(C(=O)Nc2ccccc2)CC1 6560893 YFJYBIBNVOPMGO-UHFFFAOYSA-N 372.469 2.059 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 66402568 ZDBWICXXUBRKGZ-JTQLQIEISA-N 355.320 2.326 0 40 FEAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1 4814313 SGYJPWZGQSSKSH-AWEZNQCLSA-N 368.455 2.141 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 7046704 YQNHESYKOLZCEI-UHFFFAOYSA-N 358.394 2.121 0 40 FEAB CCCCn1c(=O)c(CCC(=O)O[C@@H]2C[C@@H](C)OC2=O)nc2ccccc21 7392501 XXIXGLARYXJOJM-CXAGYDPISA-N 372.421 2.376 0 40 FEAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C 7423614 SOWPAFFNVHUJRT-UHFFFAOYSA-N 354.453 2.012 0 40 FEAB NC(=O)CN1CCC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 68463817 QBJOYIWSOMGLCS-AWEZNQCLSA-N 361.442 2.234 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCO2 8121363 PEKYUMZBBNERPJ-UHFFFAOYSA-N 359.357 2.063 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc21 69918331 BFKIXELYKHZCMH-SFHVURJKSA-N 367.405 2.098 0 40 FEAB O=C(O)C[C@@H](NC(=O)c1cccc(I)c1)C1CC1 95970305 UMFNWWNVBDBAKE-LLVKDONJSA-N 359.163 2.274 0 40 FEAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 553080486 LZPFHKPCMLHVFM-ROUUACIJSA-N 362.495 2.484 0 40 FEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NC(C)(C)C)ncn3n2)cc1 67208911 PHCJQYJGULYEGZ-UHFFFAOYSA-N 353.426 2.035 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 408601032 DSTUGOYCPDKFCO-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB C/C(=C\c1ccccc1)C(=O)N1CCN(c2nccn3c(C)nnc23)CC1 225800193 RWMGVGGSHGYSOT-CCEZHUSRSA-N 362.437 2.185 0 40 FEAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1N(C)S(C)(=O)=O 222450536 BTYIDRRHOQAXBZ-UHFFFAOYSA-N 362.407 2.372 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)NCCO)c(C(F)(F)F)c2)n1 63325372 ORUDELBFLAWXPG-UHFFFAOYSA-N 356.348 2.299 0 40 FEAB CC(C)NC(=O)N1C[C@@H]2Oc3ccc(C(F)(F)F)cc3C(=O)N(C)[C@@H]2C1 514288725 YYINZVKFJIHKFW-OCCSQVGLSA-N 371.359 2.341 0 40 FEAB biogenic,in-vitro O=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96048677 ZCSWGWVPTJKXTC-HXUWFJFHSA-N 350.422 2.132 0 40 FEAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cc2ccc(C)cc2[nH]c1=O 96116300 RRFSAASDUUNIKO-CYBMUJFWSA-N 369.373 2.499 0 40 FEAB biogenic Fc1cnc(N2CC[C@@]3(C2)CN(C2CCOCC2)CCC3(F)F)nc1 96239782 ZPBAYAFUKOTDBE-INIZCTEOSA-N 356.392 2.332 0 40 FEAB O=C(c1cccs1)N1CCOC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 96051278 FWPYCHNIBUGUOV-LJQANCHMSA-N 372.446 2.023 0 40 FEAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccsc1 96059768 HSHLRNNRNRMMDT-MRXNPFEDSA-N 361.467 2.415 0 40 FEAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 253398810 HOSKZVWJJAIBRX-IBGZPJMESA-N 356.514 2.387 0 40 FEAB biogenic,in-vitro O=C(O[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)[C@@H]1CC=CCC1)[C@@H]1CC=CCC1 255188785 LPDKIQIMYPFJJX-KKFZBWNWSA-N 362.422 2.320 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(Cc4cccnc4)C3)ccnc12 257279193 OFLRLDHHIVJJHQ-MRXNPFEDSA-N 364.453 2.206 0 40 FEAB Cc1ccc2c(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)csc2c1 280406966 IXJGJSHEGHAIEA-GFCCVEGCSA-N 352.481 2.221 0 40 FEAB Cc1nnsc1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593645 NABQBMUELQVGSU-UHFFFAOYSA-N 371.378 2.197 0 40 FEAB O=C(Nc1ccc(-n2ccc(O)n2)cc1)[C@@H]1CCc2nnc(C3CC3)n2C1 629380680 UJAAXPZIGXWPIK-CYBMUJFWSA-N 364.409 2.248 0 40 FEAB O=C(COCc1ccccc1)NCCN1CCN(c2ccccc2)CC1 642216654 HEMKWIVVUCFYGO-UHFFFAOYSA-N 353.466 2.142 0 40 FEAB C[C@](NC(=O)c1ccc(N2CCC(O)CC2)cc1)(C(=O)O)c1ccccc1 663140444 DDHFLHMEXAFENB-OAQYLSRUSA-N 368.433 2.378 0 40 FEAB Cc1c(C(=O)NCc2cn(-c3ccncc3)nn2)cnn1-c1ccccc1 390832203 XZRSYMVDVBUCBZ-UHFFFAOYSA-N 359.393 2.086 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)[nH]2)CC1 685941770 IHMPDYXXZQEAEQ-IAGOWNOFSA-N 358.486 2.393 0 40 FEAB CCOc1ccccc1[C@@H](CC(=O)N1CC[C@H](N2CCCC2)C1)NC(C)=O 77326860 VDPYNITTXFIBHT-PKOBYXMFSA-N 373.497 2.349 0 40 FEAB COc1ccc(Cl)cc1NCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 83957421 FKGXTOKZGZXTTA-INIZCTEOSA-N 373.840 2.199 0 40 FEAB CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(I)c1 95426672 SKXNEVSGNXOHIE-KCJUWKMLSA-N 365.236 2.133 0 40 FEAB Cc1cnc(-c2nc(O)c3c(n2)CCN(C(=O)c2ccccc2F)C3)cn1 13227885 LSPHTDXVTBWXEV-UHFFFAOYSA-N 365.368 2.285 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)Cc2ccccc2)Oc2ccccc21 13680242 NTFCFCNCKGHSIN-SFHVURJKSA-N 374.462 2.262 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[nH]2)on1 19452533 UOHZTTANYNMZSE-AWEZNQCLSA-N 360.414 2.186 0 40 FEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN=C1c1ccccc1)C(=O)C2 19619267 FMXXEMOFQNKGKA-KXBFYZLASA-N 360.479 2.474 0 40 FEAB COc1ccc(N2CC[C@@H](NC(=O)c3cccc(N(C)C)c3)C2=O)cc1 169793006 UQKKBFOAEZBQDS-GOSISDBHSA-N 353.422 2.297 0 40 FEAB CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 7254831 RLTPEKUGNTZVBX-JXMROGBWSA-N 372.377 2.261 0 40 FEAB Cc1cccc(CS(=O)(=O)NCC2CCN(C3CCOCC3)CC2)c1 225564126 CJCKKZKZVKAKIT-UHFFFAOYSA-N 366.527 2.305 0 40 FEAB CN(C(=O)c1cnccn1)C1CCC2(CC1)CNCc1ccccc1O2 19586741 LBPJTMKEZGUTLS-UHFFFAOYSA-N 352.438 2.412 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc12 684114854 ODMGWUAJFYHPRR-LBPRGKRZSA-N 359.430 2.079 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N(C)C1CCCCC1 3295657 GEDJFTLOIZHWGX-QGOAFFKASA-N 358.438 2.498 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)CC4(O)CCC4)C[C@H]32)CC1 1565551199 AZTCVXLQJLXAOK-RDJZCZTQSA-N 370.497 2.116 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cscn1 2055745688 UUESMJFKIZJVOE-LLVKDONJSA-N 360.439 2.091 0 40 FEAB COc1cccc(CN2CCc3ncc(CNC(=O)C4CCC4)n3CC2)c1 2055772640 IOQUKDQLJBYICO-UHFFFAOYSA-N 368.481 2.366 0 40 FEAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C)CC3)c(O)n2n1 22458939 JQJMZLWGDMNSTD-AWEZNQCLSA-N 361.446 2.281 0 40 FEAB COCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2C)CC1 22999872 VYQXDRFDAOWYOS-UHFFFAOYSA-N 360.907 2.285 0 40 FEAB O=C([C@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCC(F)(F)CC1 2086887049 SWJJMWKRAHNRPN-OAHLLOKOSA-N 360.351 2.423 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)n1cccn1 575613634 IUJBQJCDUKUXIJ-OAHLLOKOSA-N 372.425 2.106 0 40 FEAB O=C(CN(Cc1ccco1)C(=O)CN1CCSC1=O)Nc1ccccc1 40009947 PSSBPYHPNYTUEI-UHFFFAOYSA-N 373.434 2.416 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(-n3ccnc3)nc2)cc1OC 40043277 NJHRBVJPJKGWKI-UHFFFAOYSA-N 352.394 2.257 0 40 FEAB CC(=O)c1ccccc1OCCOC(=O)c1ccc(N2CCOCC2)nc1 21591174 GBDPGILODAYLGZ-UHFFFAOYSA-N 370.405 2.357 0 40 FEAB CCOc1ncccc1C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 32853765 KZLPZHRSKDCIHA-INIZCTEOSA-N 359.426 2.185 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2)CCC1 102666928 DWURVNCYHAPDFI-STEAMIEHSA-N 364.445 2.032 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 41224365 WVTYIPRRULTSBG-AWEZNQCLSA-N 368.455 2.357 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)N1CCCC1 905144 SSFHASLRKUAAIR-OAHLLOKOSA-N 373.482 2.234 0 40 FEAB COCCN(CCC(=O)OC)C(=O)c1ccc(F)c(C(F)(F)F)c1 78681210 JBSWBFXQKGKZEB-UHFFFAOYSA-N 351.296 2.496 0 40 FEAB Cn1c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cnc1Cl 79108439 FIMNNFSBUFIUEC-GFCCVEGCSA-N 365.846 2.476 0 40 FEAB CC(=O)N(Cc1ccco1)Cc1cc2cc3c(cc2n2nnnc12)OCO3 4879253 HAIORSHQNGHACY-UHFFFAOYSA-N 365.349 2.148 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(CCOc2ccccc2)CC1 23673247 ISHMIPBOTZKZNI-UHFFFAOYSA-N 356.470 2.182 0 40 FEAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCOCC1)c1ccccc1 23991441 TXZBIARDIGQVPB-MRXNPFEDSA-N 367.449 2.448 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24021222 KGOAFSNGVKJPBO-UHFFFAOYSA-N 361.361 2.054 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2c3ccccc3[C@@H]([C@@H]1C(=O)OCC)[n+]1ccccc12 104137602 HXHJZSGLOLVDAU-HCXYKTFWSA-N 352.410 2.381 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)[C@H](Oc1ccccc1)c1ccccc1 56677025 NXQWTKBCLFVEHS-HXUWFJFHSA-N 368.433 2.172 0 40 FEAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486903 MOOKBEFFYDHIQG-UHFFFAOYSA-N 368.393 2.193 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1C 57851994 MYXYXOPWRAPXQL-LLVKDONJSA-N 351.834 2.290 0 40 FEAB O=C(COCc1ccccc1Cl)NC1CCN(c2ncccn2)CC1 44525120 WCDKVALKQNDEPZ-UHFFFAOYSA-N 360.845 2.432 0 40 FEAB CN(C)c1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccn1 48290615 OKXDQMODSQTVJY-KRWDZBQOSA-N 352.438 2.241 0 40 FEAB CCOC(=O)CN(Cc1ccccc1)Cc1cc(=O)n2ccsc2n1 58179657 RJTZONBSRAKWGY-UHFFFAOYSA-N 357.435 2.321 0 40 FEAB C[C@H](NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccn1 58167316 ZYYRLJVLYLTTRE-INIZCTEOSA-N 354.454 2.474 0 40 FEAB CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 58202068 RIJSXEHCVOHSDG-CYBMUJFWSA-N 371.890 2.286 0 40 FEAB COCCNC1=NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S1 3374394 SQPLGPFIJBSGKH-LBPRGKRZSA-N 355.847 2.211 0 40 FEAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)on1 48310230 JTVJCOHOXYZORJ-JSGCOSHPSA-N 350.440 2.206 0 40 FEAB Cc1ncc(CN(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)s1 48364788 HARLIBVPFPKJFV-CQSZACIVSA-N 350.440 2.190 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)CCC2=O)c1 60132114 KTNBEVNHOFOMTF-AWEZNQCLSA-N 372.469 2.206 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 408593061 OQMWIGYBTYSYOX-XNTDXEJSSA-N 352.346 2.243 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C1=O 63465538 INTAXUQRNQFQND-RZQQEMMASA-N 367.380 2.428 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccc(F)cc1 9114935 ZCHKLUGYBWSJOY-UHFFFAOYSA-N 354.385 2.030 0 40 FEAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCCc1ccccn1 9156113 NDPLDWHCFLXXEC-UHFFFAOYSA-N 351.328 2.189 0 40 FEAB CC(=O)c1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1 5066443 NECGNWSKHADCDK-SXGWCWSVSA-N 369.471 2.058 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 39984905 TVXRZAUVSBBHKW-WOSRLPQWSA-N 354.472 2.423 0 40 FEAB COc1cc(-c2noc(CN3CCC[C@@H](O)C3)n2)ccc1OC(F)F 39985815 XWDWXQHHCFBHGS-LLVKDONJSA-N 355.341 2.303 0 40 FEAB CCOC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc(C)c1C 4392480 SCYZXSYMOOTJAI-LLVKDONJSA-N 359.469 2.305 0 40 FEAB COc1cc(OC)cc(C(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 14165574 WCYPWIGZUQOXML-HNNXBMFYSA-N 367.467 2.276 0 40 FEAB CCc1[nH]c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1C(=O)OC 14142174 CYGUVVOKJNOORN-UHFFFAOYSA-N 364.423 2.328 0 40 FEAB C[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 84637360 OSAZRYBQVZHRJV-YGRLFVJLSA-N 359.253 2.485 0 40 FEAB COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 14850903 WIAFWCBXISMSLI-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 7215069 PNXVSQJLRFIROD-UHFFFAOYSA-N 352.500 2.491 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 71768182 CCSBFTOXGPVNKD-UHFFFAOYSA-N 368.481 2.043 0 40 FEAB Cn1nnnc1SCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 19849799 IFPCNVCDPMYBEG-UHFFFAOYSA-N 358.452 2.163 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nnc(NC2CC2)s1 8073903 LTQMUCLGHBYBTI-UHFFFAOYSA-N 355.470 2.004 0 40 FEAB COC(=O)C1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCCC1 71850274 UWCULXHHRVTHQN-QGZVFWFLSA-N 359.470 2.286 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCCC[C@H]3CCCC[C@@H]3O)CC2=O)c1 89470153 VILXMUMVRGNFLM-MDZRGWNJSA-N 374.481 2.496 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)Nc1nc3c(s1)C(=O)CC(C)(C)C3)CC2 89740893 XFWLHUSZGZMUQO-JTQLQIEISA-N 359.455 2.399 0 40 FEAB CCCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1 24820484 DJDZQAYOULFLRP-UHFFFAOYSA-N 372.469 2.185 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408600319 AECGCUOXUSBZLD-SNVBAGLBSA-N 370.377 2.279 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3C[C@@H](O)C[C@@H]3C(N)=O)c2c1C 33010953 UVJOJMKRWKNJJU-WDEREUQCSA-N 374.491 2.462 0 40 FEAB O=C1N[C@@]2(C[C@@H]3CC[C@H]2C[C@@H]3C(=O)NC[C@@H]2CCCO2)Nc2ccccc21 72327030 FTKQZEGZNOQBTM-YEPGPPGOSA-N 369.465 2.270 0 40 FEAB O=C(CCC(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 79298471 BQHSIVRSZDWXTO-UHFFFAOYSA-N 364.389 2.003 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOC[C@H](C2CCC2)C1 564091691 BYNBLBTXIXMZTB-RDTXWAMCSA-N 360.454 2.138 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2c(OC)cccc2OC)c2ccccc2O1 222956900 DAQDTVIPESSLNT-MRXNPFEDSA-N 357.362 2.285 0 40 FEAB COc1ccc(CNC(=O)Nc2cc(N3CCCC3)ncn2)cc1OC 77198365 PWRHLQFSELXZDO-UHFFFAOYSA-N 357.414 2.416 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2 40386761 SYXFYRYBASKHGJ-MRVPVSSYSA-N 354.197 2.490 0 40 FEAB C[C@@H](OCCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 48345439 KMRQPMNBRAPQPM-OAHLLOKOSA-N 373.453 2.135 0 40 FEAB COC(=O)CCNC(=O)CCSc1ncnc2sc(C)c(C)c12 40288186 XKVQSEGPMIUXNP-UHFFFAOYSA-N 353.469 2.470 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCCN1CCOCC1 223167385 SBJJNBOGLWFBNZ-ROUUACIJSA-N 372.494 2.369 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 96048391 CQTTWRJIQFGBQA-DNVCBOLYSA-N 353.426 2.056 0 40 FEAB C[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1 96344659 XXVXFIBDOGYZNN-CXAGYDPISA-N 351.406 2.395 0 40 FEAB COCCN1CC2(CCN(Cc3nc(C)cs3)CC2)C[C@@H]1COC 96208649 OHPHKVITGOIODT-MRXNPFEDSA-N 353.532 2.401 0 40 FEAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cccc4c3CCC4)C2)nn1 583617731 JTUYUXSTMPETGD-FQEVSTJZSA-N 354.454 2.472 0 40 FEAB CN1CCC(CC(=O)N2CCC[C@@H](CN(C)Cc3cccnc3)C2)CC1 585085490 DBKOXRQANJVFGQ-FQEVSTJZSA-N 358.530 2.484 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N[C@@H]2CCCN(C)C2)c1 257267709 MIMJFRYHVYTOHL-GOSISDBHSA-N 366.465 2.209 0 40 FEAB CN(C)c1nc([C@@H]2CCCCN2CC2(O)CCOCC2)cn2cccc12 257259918 LAQYKWZSOVZLDZ-KRWDZBQOSA-N 358.486 2.469 0 40 FEAB CC(C)(C)OC(=O)c1ccc(CNC(=O)C[C@]2(C(=O)O)CCOC2)cc1 594660496 GKSHZPWQBFNRAO-LJQANCHMSA-N 363.410 2.140 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cn2ccccc2n1 617586456 GLAYTKWCZITMGZ-KBXCAEBGSA-N 353.426 2.448 0 40 FEAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCOC[C@@]12CCOC2 282453332 HJWULDDQYHBUNI-NSHDSACASA-N 358.268 2.235 0 40 FEAB FC(F)(F)c1ccnc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 641718546 QMUKRWKLVJIHTI-OAHLLOKOSA-N 358.408 2.309 0 40 FEAB CN(C)C(=O)C[C@]1(O)CCCN(c2nccc(Oc3ccccc3)n2)C1 643719171 UTXJEJLAEJKNQR-LJQANCHMSA-N 356.426 2.079 0 40 FEAB CC(=O)NC(C)(C)c1noc([C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)n1 656750261 IQULWXCIIZMPII-CZUORRHYSA-N 358.442 2.403 0 40 FEAB COCCn1cc(C(=O)NCc2c(F)cccc2N2CCCC2)ccc1=O 672053520 QNWIKUUXVWPSDJ-UHFFFAOYSA-N 373.428 2.164 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)c1 575402409 AHGBCFSEZZAWQL-GOSISDBHSA-N 372.465 2.008 0 40 FEAB CNc1cnc(C(=O)N2CC[C@@](COc3ccc(C)cc3)(OC)C2)nc1 585275387 ADJAUSKWDMALAU-LJQANCHMSA-N 356.426 2.137 0 40 FEAB CC(C)=C(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 75106451 HMQKTLBWGRJKKX-UHFFFAOYSA-N 350.484 2.493 0 40 FEAB COc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1 5268369 AITHTXAHOJDFQU-UHFFFAOYSA-N 353.378 2.443 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(C(=O)c2ccccc2F)CC1 12121368 UERCLWQWGVQWHY-UHFFFAOYSA-N 369.443 2.101 0 40 FEAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCCc1c[nH]c3ccccc13)CS2 12236641 YCNDUOVCRWYXJG-AWEZNQCLSA-N 368.462 2.429 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)c3cnccn3)nn2c1O 12276354 DFXGQRSRVXLZGL-HNNXBMFYSA-N 352.398 2.073 0 40 FEAB O=C1NC(=S)N/C1=C\c1nn(Cc2ccccc2)cc1-c1cccnc1 12550511 PYUBSEDROMSEIY-MFOYZWKCSA-N 361.430 2.339 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccncc1 12613689 PHGJJPWHVOROAH-CHWSQXEVSA-N 359.451 2.283 0 40 FEAB C=Cn1ncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1C 12742425 WGNPUFVTQRQSTF-QFBILLFUSA-N 366.469 2.180 0 40 FEAB O=C([C@H]1CN2CCC1CC2)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19344709 STMDJVPTHZIQMP-KBPBESRZSA-N 374.466 2.040 0 40 FEAB CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1C 19520953 LZHZNGOHXGQSAR-QGZVFWFLSA-N 368.485 2.426 0 40 FEAB CCc1nnsc1C(=O)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19521851 IWPQCCHRYAKSDT-SFHVURJKSA-N 356.451 2.061 0 40 FEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710648 MSPKHUDBHIYACY-MRXNPFEDSA-N 368.416 2.022 0 40 FEAB Cn1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 548336865 JYEBNNQMCGUMTE-HNNXBMFYSA-N 363.439 2.107 0 40 FEAB OCCNc1nc2ccccc2n1CN1CCN(c2ccccc2F)CC1 3348509 QXYVBCXBLMUKCB-UHFFFAOYSA-N 369.444 2.359 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037841138 XQBMFJPJDVWCOX-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB COc1cc(C(=O)OCCNC(=O)c2ccccc2)cc(OC)c1OC 2326153 UHWFNTAGZXSIPU-UHFFFAOYSA-N 359.378 2.299 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 4078360 SIWVSUKAIPDOOF-UHFFFAOYSA-N 367.452 2.383 0 40 FEAB Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)c(C)c1 13700297 MIKNNBLWKFGJBI-UHFFFAOYSA-N 351.414 2.095 0 40 FEAB COc1ccc(CCNC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 17052179 DCNYNRUIHJIYKS-UHFFFAOYSA-N 366.425 2.021 0 40 FEAB COCCN1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@H]21 2055745517 GJZVJKWHWQOPSO-FDRQBBGKSA-N 350.484 2.100 0 40 FEAB CCc1ccc(S(=O)(=O)N2C[C@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)cc1 1775976331 YURQQOJKUHRMTD-IAGOWNOFSA-N 372.494 2.104 0 40 FEAB O=S(=O)(NCc1cccnc1-n1cncn1)C1=Cc2ccccc2CC1 40105121 MUCDGWRSYYACET-UHFFFAOYSA-N 367.434 2.069 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(OC(F)F)c1)CS2 50378955 PHBRRTUYPBMWLD-BLLLJJGKSA-N 356.394 2.358 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 21528517 GKHZEIYWABCFKZ-AWEZNQCLSA-N 354.454 2.403 0 40 FEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(Br)ccc1F 78676920 SJBFBJPCRIXIKS-VIFPVBQESA-N 366.252 2.483 0 40 FEAB NC(=O)CSCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 23083018 KOFLDIJOJFSJEW-AWEZNQCLSA-N 364.467 2.120 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 3180147 UVEPOBWWSDIGIK-OAHLLOKOSA-N 350.484 2.346 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCCc2ccccc21 23702129 VSGPWIBNGHXCJF-IBGZPJMESA-N 350.466 2.397 0 40 FEAB CCOC(=O)c1c(SCC(=O)Nc2cccc(F)c2)nc(=O)[nH]c1C 4317623 ARFHFWGLYMNMAE-UHFFFAOYSA-N 365.386 2.125 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4487856 RNIOLUYSZZRASJ-SGPHBRAGSA-N 367.373 2.161 0 40 FEAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 7130810 NPBDAWJMOHOPBJ-UHFFFAOYSA-N 357.435 2.338 0 40 FEAB COc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)N(C)C 7978592 WMPGMTKUWWVFPK-UHFFFAOYSA-N 366.414 2.266 0 40 FEAB COc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc(Cl)c1OC 25163966 JPIVDHOMVOZHST-UHFFFAOYSA-N 352.818 2.052 0 40 FEAB COC(=O)N1[C@@]23CCC[C@]12[C@@H]1C=C[C@@H]3[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100969062 QGYAHABCWKICOX-GEVUUKNCSA-N 364.401 2.352 0 40 FEAB Cc1cc(C)cc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 1462415 OKHGPNYVZHGOBW-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 25539342 NKMPLQILIZNDMC-LBPRGKRZSA-N 363.373 2.471 0 40 FEAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)NC1CC1 35307714 ZGMLXJZBUHAKBP-UHFFFAOYSA-N 371.268 2.422 0 40 FEAB COc1ccccc1-n1nnnc1SCc1nc2ccccc2c(=O)[nH]1 9355186 PYAOLWOOSCRGAF-UHFFFAOYSA-N 366.406 2.200 0 40 FEAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102087939 QJQAVIAFPDSGTC-UEFGCPDKSA-N 350.418 2.377 0 40 FEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 35709106 DTUFWAHTLFFUCO-FQEVSTJZSA-N 365.477 2.192 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)Nc1nnc(C(F)F)s1 58160113 PWCNFNYGNRWSPL-UHFFFAOYSA-N 356.354 2.243 0 40 FEAB Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 100772365 XIFJNLLNMKCAMA-QGZVFWFLSA-N 371.416 2.230 0 40 FEAB COc1cc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 12758976 NQCCXEXJUXEQDR-IHRRRGAJSA-N 372.421 2.290 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2154596 UTDOUDMTSCJWPW-QGHHPUGFSA-N 361.394 2.268 0 40 FEAB biogenic COc1cc(CNC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)ccc1O 58304882 KTHLJPUELGCHLN-LLVKDONJSA-N 367.398 2.019 0 40 FEAB O=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 102277045 PACJLHBTKOGWEZ-ZDUSSCGKSA-N 352.394 2.286 0 40 FEAB CN1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464370 LZAOBZKWDVPRMQ-STQMWFEESA-N 372.425 2.373 0 40 FEAB biogenic,in-vitro O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306124412 BPEYMVBNGMGNCZ-LSDHHAIUSA-N 369.444 2.004 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1OC 3474056 IRYDCJAWORDJDP-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 12986435 JQCYJBGJNQYJTB-UHFFFAOYSA-N 362.426 2.420 0 40 FEAB CN(C)CCNC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 9049711 JQLUUHCLQMEQQY-UKTHLTGXSA-N 367.858 2.054 0 40 FEAB COc1cc(N2Cc3ccnn3[C@@H](CCOCc3cccnc3)C2)ncn1 306124309 BMMFDAOQOIAPNI-KRWDZBQOSA-N 366.425 2.245 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2cc(Br)ccc2o1 13625874 KPMLINYPZFNXBQ-JTQLQIEISA-N 358.213 2.112 0 40 FEAB CN(CCc1ccccn1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 6046393 RXVKHLXTFULGQO-UHFFFAOYSA-N 354.815 2.296 0 40 FEAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 6392903 NOVLTWIABQSLBK-GOSISDBHSA-N 371.412 2.353 0 40 FEAB O=C(OCC(=O)N1CCCC1=O)c1csc(NCc2ccccc2)n1 6373527 HMGPODZDMRJQFZ-UHFFFAOYSA-N 359.407 2.061 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1OC(F)F 14127262 QTNWBEFGVNETDP-UHFFFAOYSA-N 360.316 2.200 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc3sccc3c2=O)c1 14280893 QDJQASOTSSVBSU-NSHDSACASA-N 373.434 2.353 0 40 FEAB CC(C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6760714 SMQBYUSDWUTOMX-UHFFFAOYSA-N 368.455 2.398 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)c1ccc2c(c1)OCO2 7391180 PSIVVBXITZPBNT-GFCCVEGCSA-N 365.389 2.311 0 40 FEAB CN(C)S(=O)(=O)c1cccc(Cn2c3c(sc2=O)CCCC3)c1 68052443 FLCYITBYZIXTDO-UHFFFAOYSA-N 352.481 2.087 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)c2cccn2C)n1Cc1ccccc1 7778399 MHPSABXGPWKFND-UHFFFAOYSA-N 369.450 2.022 0 40 FEAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 8167523 BSOZWYCGQODDOU-AWEZNQCLSA-N 366.464 2.231 0 40 FEAB COC(=O)[C@@](NC(C)=O)(Nc1nc2c(F)cccc2s1)C(F)(F)F 16977311 FLZVVXPKOSHKAY-GFCCVEGCSA-N 365.308 2.415 0 40 FEAB COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc2cc(OC)ccc2n1 95994178 SFXFETIYDUROSB-PBHICJAKSA-N 358.394 2.036 0 40 FEAB COC[C@](C)(CC(=O)O)NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 95989856 XWMPZZFHGBSHMH-SFHVURJKSA-N 351.399 2.353 0 40 FEAB CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 67364134 WAGOQXQIAGPYJJ-ROUUACIJSA-N 371.481 2.031 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375468 GFOJAQICYFSWDZ-OGPXJPENSA-N 369.465 2.252 0 40 FEAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)cc1 408550551 DHJUIOJFIXXGHH-UHFFFAOYSA-N 355.394 2.087 0 40 FEAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 31811055 SXGRUICSQGRBMA-MRXNPFEDSA-N 362.817 2.283 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ccsc3)C2)cc1C(N)=O 670294662 TXVWPMDIBXKLFV-NSHDSACASA-N 366.464 2.034 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c1C 36390409 OSTFENHMJFITLX-UHFFFAOYSA-N 357.410 2.068 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cnn(C(F)F)c2C)n1 36614479 FALYIKMQXNSDFL-VIFPVBQESA-N 361.418 2.015 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(O)c(Cl)c1)CC(=O)N2 36357935 PHPMNKHOYSKRQJ-JTQLQIEISA-N 371.784 2.097 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 72360349 IHXRQRPFUDGFPR-INIZCTEOSA-N 350.430 2.389 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327611 SHIDHQNHTZUCRD-VBKZILBWSA-N 358.438 2.316 0 40 FEAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2nsc3ccccc23)CC1 225513052 KUBOXIHYJNPQOB-CYBMUJFWSA-N 367.478 2.473 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 225082489 NKJIJMKFECAREC-UHFFFAOYSA-N 366.345 2.419 0 40 FEAB COc1ccc(CN(C)C(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222405258 HTGSVFSDVMYFBG-UHFFFAOYSA-N 362.451 2.363 0 40 FEAB COCCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cn1 225927666 HUQNHEURPORBQA-UHFFFAOYSA-N 351.403 2.103 0 40 FEAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)C(=O)N1C 96261581 OSAZVKDAULCNLN-GQIGUUNPSA-N 354.454 2.257 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)NCc1cccs1 96205921 KVOXTJYKZQNQLY-APWZRJJASA-N 357.479 2.298 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@H](N(C)Cc2cccnc2)C[C@@H]1C(=O)O 96198758 BYPZVGBUHBPZEP-HZPDHXFCSA-N 357.410 2.173 0 40 FEAB O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 247799573 FEIRGXCUOQWQQW-WNRNVDISSA-N 362.360 2.181 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C1 245377377 KHVHJELZPKNVPJ-WMZOPIPTSA-N 371.481 2.207 0 40 FEAB Cc1ccc(C)c(CN2CC3(C2)OCC[C@@H]3CCOCC(=O)N(C)C)c1 248057905 YLONEFMPOMAPGK-IBGZPJMESA-N 360.498 2.389 0 40 FEAB CNc1cc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)nc(C)n1 257304634 SMLRNMVQEZMFOE-QGZVFWFLSA-N 354.458 2.017 0 40 FEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257206917 BFLTUEBTMVDJNS-HLNWXESRSA-N 358.486 2.280 0 40 FEAB CNS(=O)(=O)C[C@@H]1CCCN1CCc1cccc(C(F)(F)F)c1 628187512 SCFIYTHLHUMXML-AWEZNQCLSA-N 350.406 2.262 0 40 FEAB O=C(CS(=O)(=O)C1CCCC1)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 628774982 XZHIVAIPFRAVTF-INIZCTEOSA-N 365.430 2.112 0 40 FEAB O=C1NCCN1c1ccc(F)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c1 665978005 PFUDYOFCVPNOTM-CRAIPNDOSA-N 369.396 2.303 0 40 FEAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1CCCC1(F)F 672494594 DNQWIDCSYMZDLY-LBPRGKRZSA-N 357.748 2.242 0 40 FEAB c1cc(-c2nc(-c3scc4c3OCCO4)no2)nc(-n2cncn2)c1 1776002741 AXDHCXYLMJCKES-UHFFFAOYSA-N 354.351 2.212 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)C3=CCCCC3)CC2)C1 585104412 ZZDGIJCWTLKPPQ-GOSISDBHSA-N 350.503 2.320 0 40 FEAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc[nH]2)CCO1 585274027 YOTUKXXVSSPKNS-SFHVURJKSA-N 363.845 2.194 0 40 FEAB Cn1nccc1C(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21 585112142 JADZYMFLIOMVQY-AWEZNQCLSA-N 370.482 2.055 0 40 FEAB COC(=O)C1(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CCCCC1 55415538 DUQTZQQZAACYBF-GUYCJALGSA-N 371.499 2.177 0 40 FEAB CN(C)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 75106886 IICMVCYWCKFXGA-UHFFFAOYSA-N 361.508 2.048 0 40 FEAB COc1ccc2c(c1)O[C@@]1(CCCN(Cc3ccccn3)C1)CNC2=O 12086788 OGWZWJBAHYZUKQ-FQEVSTJZSA-N 353.422 2.247 0 40 FEAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146634 JFORIOLSMNRHRF-UHFFFAOYSA-N 354.366 2.123 0 40 FEAB O=C(CSCCO)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 18186335 LLAAOOMBLMCYGL-UHFFFAOYSA-N 364.389 2.206 0 40 FEAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 19235817 CEYRVVPAQFRJCG-CYBMUJFWSA-N 365.393 2.473 0 40 FEAB COc1c(C)cccc1C(=O)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 19235818 CEYRVVPAQFRJCG-ZDUSSCGKSA-N 365.393 2.473 0 40 FEAB O=C(c1cc(C2CCN(Cc3cccnc3)CC2)no1)N1CCC[C@H](O)C1 19338943 AWVDDWGOONKNGF-KRWDZBQOSA-N 370.453 2.046 0 40 FEAB Cc1ccc2c(c1)NC(SCC(=O)N1CCC[C@H](C)C1)=NS2(=O)=O 9530186 AXNWZOINUFTNOB-LBPRGKRZSA-N 367.496 2.457 0 40 FEAB Cc1ncsc1CCS(=O)(=O)N1CCN(C2CCC2)C[C@@H](C)C1 583244733 BKJVRCSAOMLZOR-CYBMUJFWSA-N 357.545 2.130 0 40 FEAB O=C(CCc1ccccc1Br)NC1CN(c2cnccn2)C1 1888863724 AZJUPZIQKQWAMN-UHFFFAOYSA-N 361.243 2.177 0 40 FEAB O=C(c1ccc2ncsc2c1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888890325 ZCIQWYPWMSYYRU-KBPBESRZSA-N 351.435 2.295 0 40 FEAB O=C(Cc1ccc(F)cn1)N1CCC2(C=C[C@H](N3CCOCC3)CC2)CC1 1614936099 XEMXZQSNLQQVGT-IBGZPJMESA-N 373.472 2.423 0 40 FEAB O=C(N1CCC2(CC1)COCCN(Cc1ccncc1)C2)C1(F)CCC1 1565553275 RCVZWZRNPGHOHK-UHFFFAOYSA-N 361.461 2.415 0 40 FEAB Cc1nn(CC(=O)n2cc(Cl)cn2)c(C)c1I 1432150 ULROYAVAHNXDQD-UHFFFAOYSA-N 364.574 2.295 0 40 FEAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCC(C)C)CSC3)cc1 4941648 YSANXMVHWVUWGW-UHFFFAOYSA-N 374.466 2.338 0 40 FEAB O=c1c(=O)n2c(nn1Cc1ccccc1Cl)N(c1ccc(F)cc1)CC2 8849066 YJJDHGTWADSLAV-UHFFFAOYSA-N 372.787 2.398 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H](C)Oc4ccccc4F)C[C@H]3C2)ncn1 1889362912 KYOUNFSCYXHKCQ-BZUAXINKSA-N 370.428 2.286 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cc1 19209265 OEJNFAGBFPUBBN-QGZVFWFLSA-N 363.465 2.257 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(C)cc1 31953209 NYSWAXFOEVQXKY-MRXNPFEDSA-N 365.389 2.266 0 40 FEAB Cc1nn2c(=O)c3c(cc(C)n3CC(=O)NC3CCCCC3)nc2s1 51357401 AGZVGLAEPAUQNQ-UHFFFAOYSA-N 359.455 2.171 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)nc1 32923101 JMHLWXCXZRBOGC-UHFFFAOYSA-N 351.366 2.318 0 40 FEAB O=C(c1ccco1)N1CCC(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 102713427 QGHPUGSTHAGPCF-VKFLQFAXSA-N 372.465 2.332 0 40 FEAB NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 22198075 NHDQXRSISSKTTL-UHFFFAOYSA-N 372.238 2.114 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 972025 NCYWADZMZQQGQO-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cc1nnc2c(N(C)S(=O)(=O)c3ccccc3)nc3ccccc3n12 2221868 RXVLFKQTKSVJPE-UHFFFAOYSA-N 353.407 2.411 0 40 FEAB COCCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 2809815 LTRDBBLHZCTRGN-UHFFFAOYSA-N 354.406 2.123 0 40 FEAB Cc1c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 3277472 UFETUQMWVOQZLU-GJZGRUSLSA-N 356.470 2.401 0 40 FEAB COc1ccc(CCNC(=O)COc2ncnc3ccccc23)cc1OC 3322140 CRSYJGVVAKYUAZ-UHFFFAOYSA-N 367.405 2.385 0 40 FEAB COc1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 3594614 FWBDBVPSGCICJY-HXUWFJFHSA-N 352.390 2.468 0 40 FEAB CN(C)CC(C)(C)CNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983960 MWCCQFVIYOTAFD-AQTBWJFISA-N 368.481 2.490 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5060847 QOLFAARMVUNGCO-OAHLLOKOSA-N 354.406 2.373 0 40 FEAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1C(F)(F)F 5559459 GWSRULVBNKOMIK-UHFFFAOYSA-N 351.741 2.395 0 40 FEAB CN(C)[C@H](CNC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 5931578 HFTGZXTWUYOCAD-GOSISDBHSA-N 364.449 2.275 0 40 FEAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 6296295 YFLISESWCHRTTM-XNTDXEJSSA-N 374.418 2.271 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(S(N)(=O)=O)cc1 6586684 HIAKVJLZACZBMI-QMMMGPOBSA-N 373.228 2.181 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCCO2 7718413 MWUOSOORAFOHPO-UHFFFAOYSA-N 367.409 2.474 0 40 FEAB C[C@@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc2c(c1)OCCO2 8723781 YLCLOXBWULQPJG-LLVKDONJSA-N 351.366 2.129 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9236351 SWTGGWBWTOIELD-OAHLLOKOSA-N 351.406 2.033 0 40 FEAB COc1cccc([C@H](NS(=O)(=O)c2ccccc2)c2nccn2C)c1 9317645 YFKLKPKXULPTIP-KRWDZBQOSA-N 357.435 2.497 0 40 FEAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)C(=O)NC1CCCCCC1 9708572 RVCZCVRSAAZTJM-UHFFFAOYSA-N 355.438 2.299 0 40 FEAB Cc1c(C(=O)N2CCOCC2)cnc2nc(-c3cccc(Cl)c3)nn12 10382323 ZRAOZWGHQPSJKV-UHFFFAOYSA-N 357.801 2.226 0 40 FEAB COc1ccc([C@H](NC(=O)[C@@]2(C)CCCO2)c2nccn2C)cc1OC 12147207 WZNNEEYECHUGEG-QFBILLFUSA-N 359.426 2.212 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1C(=O)c1cccs1 12182584 CDKQXILCYNCJKN-ZDUSSCGKSA-N 356.403 2.174 0 40 FEAB COc1ccccc1N1CCN(CC(=O)N2CCc3sccc3C2)CC1 12542360 POAJTIPWNVZVLH-UHFFFAOYSA-N 371.506 2.464 0 40 FEAB Cn1c(=O)c2ccccc2n2c(COC(=O)Cc3cccc(F)c3)nnc12 12636706 QSPKJPZSNBWMHN-UHFFFAOYSA-N 366.352 2.006 0 40 FEAB CC(C)n1ncc2c(C(=O)N3CCC(C(N)=O)CC3)cc(C3CC3)nc21 12791164 JHUXUKTZAAFVAY-UHFFFAOYSA-N 355.442 2.227 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 12872914 JRFPJXQIUPZZFG-LBPRGKRZSA-N 365.455 2.457 0 40 FEAB CN1CCCc2cc(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3C)ccc21 13570307 DXUXQENNAZYJBA-QUCCMNQESA-N 372.490 2.348 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 13672298 PUUFGSMFNXTERZ-HUUCEWRRSA-N 368.499 2.498 0 40 FEAB O=C(Nc1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14076509 RORJCGGNZKQPRI-AWEZNQCLSA-N 369.446 2.486 0 40 FEAB CN(CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 14114238 PJZLRAOAMYUVAW-SFHVURJKSA-N 364.511 2.471 0 40 FEAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 15197750 QWVZSPBFGBUKKW-SJKOYZFVSA-N 361.419 2.107 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 16681762 HHIGIVHDOYUOFM-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCCN1CCCCC1 19576236 XLMGCVDTDBSLHG-CSODHUTKSA-N 369.465 2.066 0 40 FEAB CS[C@@]1(NCCc2ccc(F)cc2)NN=C(c2ccccc2)C(=O)N1 19796793 WZVBIZFWCCVCGP-GOSISDBHSA-N 358.442 2.056 0 40 FEAB CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2 20478151 HIJXACSQKBQRNZ-UHFFFAOYSA-N 351.454 2.360 0 40 FEAB COc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1 20729533 CFOPETXZMAFACH-UHFFFAOYSA-N 366.425 2.296 0 40 FEAB COc1ccc(CCN2C(=O)C=C(Nc3ccc(O)cc3)C2=O)cc1OC 20763728 YUAPEMFTBGIJDD-UHFFFAOYSA-N 368.389 2.317 0 40 FEAB biogenic COc1cc(CN2CCN(C(C)=O)CC2)c(OC)cc1Br 20940191 JKEGJZMPOGJEFC-UHFFFAOYSA-N 357.248 2.130 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 22322822 TXDPJXJBEPDSHF-LBPRGKRZSA-N 354.362 2.259 0 40 FEAB COc1ccccc1NC(=O)CN1CCN(CCOc2ccccc2)CC1 22822183 UZZWYJRZWRKLIS-UHFFFAOYSA-N 369.465 2.330 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccncc2)CC1 23702240 RCJOQWVUELZPKL-DUXPYHPUSA-N 351.406 2.168 0 40 FEAB O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 23718657 SWIFKWCRIUSKQJ-UHFFFAOYSA-N 365.886 2.331 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)CN(C)CC2 24152301 WMAIPJDRGFSONY-AWEZNQCLSA-N 362.455 2.117 0 40 FEAB C[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl 24985838 SUFKYODULPCZDC-SJCJKPOMSA-N 373.840 2.270 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1ccc(CS(C)(=O)=O)cc1 25094705 OJSGCSZOFLISNT-UHFFFAOYSA-N 351.424 2.113 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(F)c1 27591522 GAUVFQVTDGRRQX-QGZVFWFLSA-N 358.417 2.027 0 40 FEAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2ccncc2)c(C)c1 27643498 IBMRFXWYBOFBHL-UHFFFAOYSA-N 355.423 2.303 0 40 FEAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)ccc1C 32768780 LNSZJFLQAQENDT-UHFFFAOYSA-N 364.423 2.438 0 40 FEAB COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)NCc3ccco3)cc2c1OC 36569275 DSKJIDJVSCMMPP-LLVKDONJSA-N 371.393 2.213 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccco2)C1=O 36820902 DPOOKMRZJDPCRG-LJQANCHMSA-N 373.384 2.234 0 40 FEAB O=C1CSc2ccc(C(=O)Nc3ccc(N4CCOCC4)cn3)cc2N1 37151380 SSMRKQANFAZIHY-UHFFFAOYSA-N 370.434 2.215 0 40 FEAB O=C(/C=C/c1ccco1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530682 VSWANFSPBSEUND-VOTSOKGWSA-N 367.453 2.422 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nnc(-c2ccco2)s1 40012275 QEAXNLZQPKNRIA-UHFFFAOYSA-N 353.363 2.216 0 40 FEAB COc1cc(NS(=O)(=O)c2c(F)cccc2F)c(C(=O)O)cc1OC 47214466 SZDKCYRXCYZECD-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CCNC(=O)NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 55868902 WNGNSRFRXIXCHV-UHFFFAOYSA-N 372.400 2.013 0 40 FEAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NCC(=O)NCc1ccco1 58174014 DTSGEMOGTPRKRB-NSHDSACASA-N 351.353 2.104 0 40 FEAB CC(=O)N1CCC(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)CC1 58179644 DNTHIIBVDZVRLU-FQEVSTJZSA-N 355.482 2.265 0 40 FEAB C[C@H](Sc1ncccn1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58251263 PGYMTYWQQLDGEO-AWEZNQCLSA-N 370.478 2.378 0 40 FEAB C[C@H](Sc1nnc(Cc2cccs2)o1)c1nc(N)nc(N(C)C)n1 66261609 OQZIRQPXMLQOQY-QMMMGPOBSA-N 363.472 2.408 0 40 FEAB CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1ccccc1Br 72307400 KNCYXMMIWUYENR-SNVBAGLBSA-N 364.261 2.315 0 40 FEAB CCOC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3C)c21 72336715 IDURITNIQKIXKB-UHFFFAOYSA-N 367.409 2.136 0 40 FEAB Cc1nc2cc([C@H]3CCNC3)nn2c(C)c1CCC(=O)NC1CCCC1 72370832 GFBQKIMTDXKKQM-HNNXBMFYSA-N 355.486 2.414 0 40 FEAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCO2 75156967 OCUMPLGANZUVSA-UHFFFAOYSA-N 356.378 2.291 0 40 FEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 85468228 ZEZDOCFDBYMFPR-CQSZACIVSA-N 351.441 2.453 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(C)ccc1F)n2CCOC 89960694 MJTSLNDNFIMVQO-UHFFFAOYSA-N 360.389 2.057 0 40 FEAB O=S(=O)(Nc1cccc2c1C[C@H](O)C2)c1cnn(Cc2ccccc2)c1 95407632 TWWNXFLZHFQDRX-MRXNPFEDSA-N 369.446 2.192 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@](C)(COc1ccccc1)C(=O)O 95424636 KKRGTWRCILHAOR-BLVKFPJESA-N 359.426 2.179 0 40 FEAB Cn1nc(Br)c2c(N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)ncnc21 95467555 MJMIZJKVGQJATD-ZJUUUORDSA-N 368.279 2.359 0 40 FEAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(-n2cnnn2)ccc1Cl 96117891 JBOUFGWGQDDLFY-UHFFFAOYSA-N 367.800 2.165 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96209483 XDJWHPLRMSFUGR-XLIONFOSSA-N 353.422 2.457 0 40 FEAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(C(=O)NC1CCCC1)CC2 96260427 FBBMQHLURJSKBT-UHFFFAOYSA-N 373.501 2.314 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H](C(=O)N4CCC(O)CC4)[C@@H]31)O2 100124828 QIZZSSZJWRBTRM-HUMBJQDLSA-N 355.434 2.338 0 40 FEAB COc1ccccc1CNC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2 100128464 NQAAWPWFIRCDSB-IAGOWNOFSA-N 370.449 2.419 0 40 FEAB COc1ccc(OC)c(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103351357 XMLBKDHSYYSJFG-HOTGVXAUSA-N 373.405 2.088 0 40 FEAB Cc1cc2ncc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cn2n1 206738646 HLMBTEFZYZADIN-UHFFFAOYSA-N 372.450 2.401 0 40 FEAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223118661 BMFVIMIWVSYUGS-LJQANCHMSA-N 374.868 2.408 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(O[C@H]2CCOC2)nc1 225710512 WDSKWWRTOIKDBZ-KRWDZBQOSA-N 368.437 2.175 0 40 FEAB COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 244220615 VZPRHHWEYZCBBA-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB Cc1ccnc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)c1 247816097 CUGWOLAYNVXJPP-QRFRQXIXSA-N 367.449 2.479 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2c[nH]cn2)CCO1 257202304 ALFCEEVWQMOBRQ-AWEZNQCLSA-N 371.466 2.295 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1cnc(N2CC3(CCCCC3)OC2=O)cn1 257222760 DUPPYTWXRABACY-OAHLLOKOSA-N 374.441 2.446 0 40 FEAB CN(C)c1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)cn2nccc12 257228706 FUXDYCNDZLJDMN-OAHLLOKOSA-N 350.426 2.210 0 40 FEAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1 408556091 ZLEAANGWTSBEFL-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB O=C(C1=CCCC1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 585097046 GWOSPXHXXMYQMK-HNNXBMFYSA-N 350.413 2.435 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)cc1 585112020 HDEKVMFNUCAIHM-SFHVURJKSA-N 374.510 2.220 0 40 FEAB O=C(CN1CCC[C@](O)(COc2ccccc2)C1)NCCc1ccccc1 585274730 YXPIDQMHTZERSB-JOCHJYFZSA-N 368.477 2.251 0 40 FEAB Cc1cc2ncnc(N3CC(Cn4nc(-c5cccnc5)ccc4=O)C3)c2[nH]1 585605544 COQUTZCUSGTCAU-UHFFFAOYSA-N 373.420 2.021 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H](C)O2)o1 619291293 XSHVWEMAFYHNKH-IAQYHMDHSA-N 355.398 2.176 0 40 FEAB O=C(O)CCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC2(F)F)cc1 672775116 SLUWJBKPQWWHBP-CYBMUJFWSA-N 361.366 2.200 0 40 FEAB CC(C)(C)[C@@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1nc(=O)o[nH]1 1162936716 UTULLHFMHURLOH-AWEZNQCLSA-N 355.398 2.125 0 40 FEAB Cc1ncnc(OCC2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 1565519721 YDWAEKLJUUZHSP-UHFFFAOYSA-N 353.430 2.135 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565542478 FVAYKWBTFFRPDR-HBFSDRIKSA-N 371.412 2.133 0 40 FEAB Cc1cccc(OCC(=O)NCC2(N3CCOCC3)CCSCC2)c1 1775975244 DUTBMKSVFOGCBF-UHFFFAOYSA-N 364.511 2.088 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5c(C)noc5C)C[C@H]4C3)n1)CCC2 1888869895 XGRIDBZTXZHJCM-HUUCEWRRSA-N 367.453 2.087 0 40 FEAB NC(=O)c1cc(OC2CN(C(=O)c3ccc(Cl)cc3Cl)C2)ccn1 1889179481 NLRQOAAEQPBLDL-UHFFFAOYSA-N 366.204 2.391 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccc2F)C1 2055747730 QQLOMAYMLDEGRB-HXUWFJFHSA-N 373.403 2.337 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cccc(F)c1 2055772705 RSAFZQYPYKRVPC-AWEZNQCLSA-N 357.385 2.337 0 40 FEAB O=C([C@@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCC(F)(F)CC1 2086886952 IWGYJNNYJVOTAY-HNNXBMFYSA-N 362.380 2.093 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)NC1CCC(C(F)(F)F)CC1 42287935 CJIJNLJTOFOFQB-UHFFFAOYSA-N 370.419 2.441 0 40 FEAB CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(O)cc2)cc1 1634697 MCHUTPWPBRZRBK-GOSISDBHSA-N 371.418 2.270 0 40 FEAB COc1cc(C)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 22904574 ASUJTFLOXFRNFU-UHFFFAOYSA-N 367.405 2.440 0 40 FEAB COc1cccc([C@@H](CNC(=O)c2cccc(C(N)=O)c2)N2CCCC2)c1 23081397 OBGDKGRELDWPHP-LJQANCHMSA-N 367.449 2.361 0 40 FEAB CCn1c(SCC(=O)NCCOC)nnc1-c1ccc(Cl)cc1 3498922 FHACLOBHKKGRAD-UHFFFAOYSA-N 354.863 2.473 0 40 FEAB O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccs1 57024019 YVSZUYGCDKDSBF-UHFFFAOYSA-N 364.492 2.472 0 40 FEAB COc1cccc(CN(C)Cc2nnc3n(C)c(=O)c4sccc4n23)c1 95350404 NXKDJZJRMVPYHZ-UHFFFAOYSA-N 369.450 2.283 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 57478730 YUJOYGFOMNRMIN-UHFFFAOYSA-N 371.418 2.086 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccc3[nH]cnc3c2)cn1)NC1CCCC1 58193792 CDIJQISDXVLEQY-UHFFFAOYSA-N 352.398 2.071 0 40 FEAB COc1ccc(CN2CCN(Cc3nnc(C4CC4)o3)CC2)cc1OC 58209382 NBZNOXBSOUWBNL-UHFFFAOYSA-N 358.442 2.282 0 40 FEAB CCN(CC)c1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cn1 58224839 YBGBAABQLXHIES-UHFFFAOYSA-N 350.426 2.439 0 40 FEAB CCNc1nnc(SC[C@H](O)CN2CCc3ccccc3C2)s1 58225172 YCWOTZGOAGOODG-CQSZACIVSA-N 350.513 2.481 0 40 FEAB CCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccsc2c(=O)[nH]1 12771340 MPJIXXLXHGPHMV-UHFFFAOYSA-N 372.450 2.454 0 40 FEAB Cc1noc(C)c1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C 28943479 XTOPNXYVGXPOCV-KRWDZBQOSA-N 368.393 2.088 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 20820570 IEIMVSNRVKSMKY-MRXNPFEDSA-N 367.405 2.187 0 40 FEAB Cc1cc(=O)n2nc(N3CCCN(Cc4ccccc4)CC3)sc2n1 48325247 USICVCIQDVFBMF-UHFFFAOYSA-N 355.467 2.172 0 40 FEAB COCCNC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 3475041 RJBQLBBMZCQGLZ-UHFFFAOYSA-N 367.405 2.253 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3460516 KXRINOKKHOIEQI-IBGZPJMESA-N 353.378 2.101 0 40 FEAB COc1cc(CNC(=O)c2ccc(-n3cncn3)cc2)cc(OC)c1OC 12986552 SHGCONCPOWVBIC-UHFFFAOYSA-N 368.393 2.223 0 40 FEAB COc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc1OC 48763708 KCSZIDPQCZQSGL-CQSZACIVSA-N 356.378 2.282 0 40 FEAB NC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12 95447939 UDQQBXSYXCUBFO-UHFFFAOYSA-N 350.787 2.116 0 40 FEAB O=C(OCc1csc(Nc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 95469952 NSTHLXVIFXDMEY-LLVKDONJSA-N 352.437 2.365 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OC)c1 28195544 IFJYYVWTSJCUNH-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB O=C1C[C@H](C(=O)NCc2ccc3c(c2)OCCO3)c2ccc(F)cc2N1 14046017 AZIWOUYUMPHSKU-AWEZNQCLSA-N 356.353 2.339 0 40 FEAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccc2nc(C)oc2c1 66221502 WTIKPUSMCRUQFR-UHFFFAOYSA-N 354.366 2.103 0 40 FEAB O=C(NCc1ccco1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421689 JNDPBUQRPXJWSU-UHFFFAOYSA-N 360.805 2.132 0 40 FEAB COc1cc(CCC(=O)OCc2cc(=O)n3ccsc3n2)cc(OC)c1 7271915 BDVAXSXVCXEVRV-UHFFFAOYSA-N 374.418 2.449 0 40 FEAB CCOC(=O)c1cc(C)n(CC(=O)NCc2cn3ccccc3n2)c1C 8054053 KJAONSUGKNZBLT-UHFFFAOYSA-N 354.410 2.246 0 40 FEAB COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 8122997 IHIQSADUAYUBII-UHFFFAOYSA-N 364.423 2.438 0 40 FEAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCC(CO)CC1 69208423 JQLFZOXIEGZEKS-CQSZACIVSA-N 353.413 2.205 0 40 FEAB CN(CCOc1ccc(Cl)cc1)CN1C(=O)C[C@@]2(CCSC2)C1=O 69371690 BRRNLRFPOJNBIB-QGZVFWFLSA-N 368.886 2.490 0 40 FEAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)s1 409220120 YIMOKXPTRBIPRM-HKMIMPICSA-N 366.464 2.388 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 24092852 IIMUQNVRJBHCOD-HNAYVOBHSA-N 366.433 2.450 0 40 FEAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1nc(-c2ccccc2)cs1 8762010 JQTNAYHNVSIDTA-SNVBAGLBSA-N 369.406 2.366 0 40 FEAB Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)nc2ccccc12 18340652 NKEQHBNWWPYKGZ-UHFFFAOYSA-N 364.361 2.253 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NCCCOC(C)C)ccc1OC 408588838 ZKQMBEGMGMFUIX-UHFFFAOYSA-N 374.459 2.357 0 40 FEAB COc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1OC 25279657 JLVMEHBBAPNAIZ-UHFFFAOYSA-N 355.438 2.099 0 40 FEAB CCOc1cccc(C(=O)N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)c1 557100071 BQAUSMNFQJMBRH-INIZCTEOSA-N 365.437 2.763 0 40 FEAB COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1 53084608 LXCQKNOPMINDBU-UHFFFAOYSA-N 369.465 2.256 0 40 FEAB Cn1cc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cn1 306124374 BNRQMXIQKZONKT-NRFANRHFSA-N 360.465 2.374 0 40 FEAB COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc2)cc1 72414509 FYMUUCCUNBJIRA-UHFFFAOYSA-N 374.462 2.248 0 40 FEAB COc1cc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1 30768979 YPMDGIFCARACOZ-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217668599 CQPGFUBWYXRBFZ-NWDGAFQWSA-N 358.460 2.299 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 46017367 YBDVMSGEKFSTSQ-UHFFFAOYSA-N 350.421 2.409 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 195529622 ZOMWSYXRZYXWQI-ZOBUZTSGSA-N 361.486 2.169 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 225756208 VUBBTCFHNMMACA-UHFFFAOYSA-N 351.472 2.342 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1 224692974 ILSNJQMMMFTTCG-UHFFFAOYSA-N 356.429 2.086 0 40 FEAB Cc1cn2c(n1)[C@H](CNC(=O)NCc1c3c(nn1C)CCCC3)CCC2 576162135 GBEIFSHSLZGREB-AWEZNQCLSA-N 356.474 2.181 0 40 FEAB Cn1nccc1-c1ccc(CNC(=O)N2CCC[C@@H](n3ccnn3)C2)cc1 585140126 DBGKOYGGRJVKBF-QGZVFWFLSA-N 365.441 2.225 0 40 FEAB CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@H]1CCOC1 583615951 VPRVEHHDUTZYCI-VXGBXAGGSA-N 360.380 2.142 0 40 FEAB COc1ncccc1CN1CC[C@H]2C[C@@H](C(=O)NC3CCCC3)O[C@@H]2C1 97953820 LEGBPEKSQVYEOV-JCGIZDLHSA-N 359.470 2.128 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)CO)cc1 242687728 USVMYHLLOBQKDQ-BRWVUGGUSA-N 351.855 2.278 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516097 QBSMVEUEHCUFIK-SCTDSRPQSA-N 359.447 2.195 0 40 FEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](Cc3nccn4cccc34)CC2)c1 257329648 XKVLKEKEDBPJMO-OAHLLOKOSA-N 373.482 2.101 0 40 FEAB COc1cncc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1 281833629 LAYNEIKMYFEMPZ-UHFFFAOYSA-N 350.396 2.253 0 40 FEAB C[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H](c2nc(C3CC3)no2)O1 623173575 SBQLJEMXCOXDCJ-TZMCWYRMSA-N 358.446 2.227 0 40 FEAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21 630175038 PJVBRNNMCYCQMV-XJFOESAGSA-N 350.212 2.410 0 40 FEAB O=S(=O)(CCc1noc2ccccc12)N1CCO[C@@H]2CCCC[C@H]21 631767927 XSADMOWLGYVOFD-NVXWUHKLSA-N 350.440 2.344 0 40 FEAB C[C@](NC(=O)c1cc2c(nc1O)CCCC2=O)(C(=O)O)c1ccccc1 663141296 JZKZBXDINOEVEM-LJQANCHMSA-N 354.362 2.036 0 40 FEAB CC[C@H]1CN(C(=O)c2cccc(C(=O)NC)c2)c2cnccc2NC1=O 1775962054 PTJMNWJEPNWWQN-LBPRGKRZSA-N 352.394 2.066 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 25909539 HRIHAXKGOVRYCN-LJQANCHMSA-N 373.478 2.322 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cc(C)ccc3C)C2)OC1 585103907 DPEORISHPCHBNY-KRWDZBQOSA-N 366.527 2.224 0 40 FEAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1ccc(F)cc1 585097337 KHOWAZGUYWDHSU-INIZCTEOSA-N 356.401 2.059 0 40 FEAB O=C(O)c1ccc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cc1 585278160 RBOMPRIYWDTEKZ-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cnn(C)c3)C2)cc1F 681292451 ZXLZAQTYKVPLLT-GFCCVEGCSA-N 353.419 2.136 0 40 FEAB CC[C@H](C(=O)N1CCC(c2ccnc3nnnn23)CC1)c1ccccc1 72341938 NXCVPFWYALBJDI-INIZCTEOSA-N 350.426 2.419 0 40 FEAB O=C(c1cocn1)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615129308 LVYAXMSEPMIRKQ-IBGZPJMESA-N 373.384 2.242 0 40 FEAB O=C(c1cccc2ccccc12)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966712 VHKAXXHBVDDSSV-UHFFFAOYSA-N 350.353 2.258 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146235 YKHQXHVNESJNKA-LESCRADOSA-N 369.465 2.333 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)CC1 13570168 YRDVWVOKORFTHY-UHFFFAOYSA-N 354.435 2.391 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 13960203 AHDKFRVLBWANDH-FZKCQIBNSA-N 357.797 2.252 0 40 FEAB CC(C)(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1)n1cncn1 19080932 YNTAUAQYWYQAQX-KRWDZBQOSA-N 359.449 2.496 0 40 FEAB O=C(NCCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2)c1ccco1 19740651 WDJMVHXILHDWIY-INIZCTEOSA-N 369.469 2.058 0 40 FEAB CN(C[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)O)C1)S(C)(=O)=O 517759433 WTTVZEVBFRYYHT-GFCCVEGCSA-N 374.890 2.142 0 40 FEAB CC(C)N(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 36397001 HHDFSAKDEKJCAD-UHFFFAOYSA-N 367.439 2.492 0 40 FEAB CCOCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888855704 AIXGAIWWAOECJA-CALCHBBNSA-N 352.438 2.075 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@H](C)O1 21056236 PGMQMFMKOAWWLW-KBPBESRZSA-N 358.438 2.411 0 40 FEAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 21631754 KUIMKVRGZCBWQC-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3ncc[nH]3)CC2)CN1c1cccc(F)c1 2037840402 LXWXTPMQWAALCA-IBGZPJMESA-N 358.417 2.337 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1565542215 BPHUYKWDBYLBGO-GHTZIAJQSA-N 367.424 2.238 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc(C)n3)CC2=O)cc1OC 4272718 XDRGQBQCFCSYCU-CYBMUJFWSA-N 370.409 2.334 0 40 FEAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@H]1CCCCC[C@H]1O2 14943617 CNSJAEXOWWTEPV-UFRUDQCGSA-N 358.438 2.224 0 40 FEAB CN(C(=O)[C@H]1CC=CCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594334 YGZFAYUHVVUNMO-HNNXBMFYSA-N 366.469 2.395 0 40 FEAB COc1cc2ncnc(N3CC(c4nnc5ccccn45)C3)c2cc1OC 2298239722 SNXMZIMPMUVDGH-UHFFFAOYSA-N 362.393 2.294 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20548350 IXTCTVMNUPUTKN-ZKNHNOBHSA-N 373.428 2.002 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)cc1 21820286 CLILTORYLAMLJH-UHFFFAOYSA-N 362.407 2.049 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 21972695 FYJCANCZXDNURU-HNNXBMFYSA-N 350.484 2.487 0 40 FEAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)no1 22265406 PUQIFCLQKZZGTG-UHFFFAOYSA-N 374.378 2.137 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(OC)cc2)cc1 6608694 IWKHNNUNUVIJOV-UHFFFAOYSA-N 357.362 2.206 0 40 FEAB Cc1cc(NC(=O)c2cccc(F)c2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422711 VHCIWEVNFGJBLJ-UHFFFAOYSA-N 353.357 2.144 0 40 FEAB C[C@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)c2ccccc21 59897326 LGSGUDGCCWYCBB-ZDUSSCGKSA-N 369.446 2.266 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 56373285 CBCYVBQQDOCFMO-CQSZACIVSA-N 364.446 2.289 0 40 FEAB CCn1c(SCCc2ccncc2)nc2cc(S(N)(=O)=O)ccc21 9156569 ONPCCLRXFADHIP-UHFFFAOYSA-N 362.480 2.433 0 40 FEAB CCOC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1 12557546 AWSMKGZRWQTXFF-UHFFFAOYSA-N 370.457 2.281 0 40 FEAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 9480233 NPZXHWJNSSQUHM-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB COc1ccc(NC(=O)C[C@H]2C(=O)OC[C@H]3CCCCN23)cc1Cl 58160199 IYARUZFATOFYOK-OCCSQVGLSA-N 352.818 2.457 0 40 FEAB COc1cc(NC(=O)c2cc3ccccc3oc2=O)c(C(N)=O)cc1OC 58186214 JSEIMJWRKTYNDB-UHFFFAOYSA-N 368.345 2.161 0 40 FEAB NC(=O)[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 10268153 AFNGQRWDWTWVDZ-HNNXBMFYSA-N 360.797 2.458 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H]2CCN(C(C)C)C2)cs1 58203083 FTHYDKQDWBRGNO-ZDUSSCGKSA-N 352.504 2.127 0 40 FEAB O=C(CSc1nc(O)cc(O)n1)Nc1nnc(-c2ccccc2)s1 12628674 MNETURPTAFNYOV-UHFFFAOYSA-N 361.408 2.137 0 40 FEAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)N2CCCCCC2)nc1N 12633425 DTWBAZHVCFWPDB-NSHDSACASA-N 352.460 2.119 0 40 FEAB O=C(NCCCN1CCOCC1)c1ccccc1C(=O)c1ccccc1 48248950 QVCKFARABOKYKJ-UHFFFAOYSA-N 352.434 2.370 0 40 FEAB Cc1ccc(CN2CCO[C@@H]3C[C@H](COCC(=O)N(C)C)C[C@H]32)s1 107747539 RHUBDYCJYGVWOQ-DJIMGWMZSA-N 352.500 2.141 0 40 FEAB O=C1CNC(=O)N1C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 28297109 UASASOHSIIUGJY-NSHDSACASA-N 361.829 2.086 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 12799438 KHUFIRBHKYTTAW-UHFFFAOYSA-N 371.784 2.419 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 29073306 ULYDTNCVUKIPBX-OAHLLOKOSA-N 370.434 2.110 0 40 FEAB C[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 54363451 DAVSGNBRAYFWCI-RXMQYKEDSA-N 363.060 2.415 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F 24433409 UXDARHFEYMWKRC-UHFFFAOYSA-N 353.327 2.331 0 40 FEAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccc(OC)cc2)cc1 9033576 WKMXTAWBYPGEIJ-UHFFFAOYSA-N 357.406 2.496 0 40 FEAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCc2ccc(F)cc2)c2ccccc21 4045007 BIAUBSXSULNKBW-QFBILLFUSA-N 368.364 2.302 0 40 FEAB biogenic CC(C)C[C@H](NC(=O)CN1CCCCCC1=O)C(=O)NCc1ccccc1 4017581 UQYOUABVKKUQAQ-SFHVURJKSA-N 373.497 2.236 0 40 FEAB COc1ccccc1-n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 5016884 JSMDAECMUGAJIV-NSHDSACASA-N 355.419 2.360 0 40 FEAB CCN(C(=O)CN(C)[C@H](C)C[S@](C)=O)c1nc2ccccc2s1 96012887 RXWQDFYIWHQCET-SFDCACGMSA-N 353.513 2.348 0 40 FEAB Cc1ccc(-c2cc(C(F)(F)F)n(C3=NNC(=N)Cc4ncnn43)n2)cc1 4478234 METOPLNMLBWOPI-UHFFFAOYSA-N 374.330 2.259 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)o1 14023286 RBXCORTVHOINRU-UHFFFAOYSA-N 370.814 2.206 0 40 FEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccc2c(c1)OCO2 14016324 FYQZXVGIUFASKU-UHFFFAOYSA-N 365.389 2.291 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1ccc(=O)c2ccccc21 65513628 XTWFQFHNFFRMIT-HNNXBMFYSA-N 364.401 2.300 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1 5530141 ZFOIRJHAPRYDNM-GEEKYZPCSA-N 360.454 2.185 0 40 FEAB Cc1nc(COCC[C@H]2CCOC23CN(S(=O)(=O)C(C)C)C3)cs1 306123558 AQCMRJVIQHSPQM-AWEZNQCLSA-N 374.528 2.187 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2O1 7735821 KGOBZJZUVBCPSH-IBGZPJMESA-N 350.418 2.387 0 40 FEAB O=C(NCCn1cnc2ccc(F)cc2c1=O)c1ccc2cc[nH]c2c1 95476109 HOYNEGJWVRMHMM-UHFFFAOYSA-N 350.353 2.447 0 40 FEAB CCCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843742 NXSQXALWTDIJKI-SFHVURJKSA-N 374.466 2.297 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cn1 85470819 VKWUXGOUVCLOEE-INIZCTEOSA-N 364.409 2.152 0 40 FEAB Cc1nc(CN2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)no1 95959672 DMBNPWSFJLFFTR-UHFFFAOYSA-N 374.832 2.399 0 40 FEAB COc1cccc(C(=O)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9900323 YEQRBDORTQYPCL-UHFFFAOYSA-N 363.417 2.491 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 20245154 BUVPPWYEBAAMOP-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359545 UJACHHWNPNZLLS-UHFFFAOYSA-N 364.446 2.269 0 40 FEAB O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679702 URWJCZYPGBHPJO-JSGCOSHPSA-N 373.434 2.493 0 40 FEAB CN1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C1 72373901 XXFSQKCEYLIISX-QGZVFWFLSA-N 364.453 2.111 0 40 FEAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218662619 IVOJQXDNJLFQSY-JYJNAYRXSA-N 354.834 2.075 0 40 FEAB CC(C)OCCCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217646561 XEKJLGGSLHPXBF-UHFFFAOYSA-N 370.471 2.078 0 40 FEAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOC[C@@H]1c1ccccc1 329618341 SWBPRSJFZCNNFN-ZWKOTPCHSA-N 354.406 2.463 0 40 FEAB COc1ccc2cc(C(=O)N3CC[C@H](Oc4nccnc4OC)C3)[nH]c2c1 225808347 SKWZYSHTGDHCRW-AWEZNQCLSA-N 368.393 2.269 0 40 FEAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40309846 XXQFFEPEVCXAQY-LJQANCHMSA-N 351.362 2.475 0 40 FEAB biogenic CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96228369 MXBUBNZMPHNGOX-YLJYHZDGSA-N 360.502 2.319 0 40 FEAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(CC3CCCCC3)C2)C1 96225815 MPEDLCLOYLGZNM-FQEVSTJZSA-N 356.470 2.499 0 40 FEAB COCC[C@H]1CCOC2(C1)CN(C(=O)Cc1ccc(F)cc1OC)C2 247890647 MJZFRMICPYMBJZ-AWEZNQCLSA-N 351.418 2.421 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c(F)c1)c1ncon1 585082045 VLLAMIJEVPXYQS-MRXNPFEDSA-N 361.421 2.088 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257235191 GWVPZSVOEDKWLO-CQSZACIVSA-N 353.422 2.002 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4ncccn4)C[C@H]23)cc1 257235833 GZSZJTXHPDDELW-KZNAEPCWSA-N 352.438 2.045 0 40 FEAB Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1Cc1ccccc1)CCCC2=O 39355295 DDVALQVSCXSKFY-AWEZNQCLSA-N 354.450 2.403 0 40 FEAB NC(=O)C[C@]1(O)CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 643746798 VFOKDGAIBKPHDT-GOSISDBHSA-N 351.878 2.143 0 40 FEAB CC(C)c1nnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1C 671563191 BDIJLGTVZRQNKN-MAUKXSAKSA-N 359.522 2.187 0 40 FEAB Cc1cc(C)nc(-n2nc(C(=O)Nc3cnn(CC4CC4)c3)cc2C)n1 677902570 HUIPLSKFWHPCCD-UHFFFAOYSA-N 351.414 2.446 0 40 FEAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccc(Cl)c1 36593158 DQUPRJBSLVYBHD-MRXNPFEDSA-N 371.824 2.487 0 40 FEAB biogenic Cc1ccc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)cc1 585104951 MSQIZCPRCVGVQK-QGZVFWFLSA-N 364.511 2.058 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)N1CCCC1 585111940 DYCKTUROOANRJR-KRWDZBQOSA-N 354.458 2.031 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(N3CCNC3=O)cc2)n1 44654478 HSDXWOQHPBIAAW-ZDUSSCGKSA-N 355.442 2.096 0 40 FEAB CCCc1sc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1CC 5364469 RGCZAIMMXQZCCQ-UHFFFAOYSA-N 366.483 2.144 0 40 FEAB CCCC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(OC)c2)NC(=S)N1 5751176 VYYDRRWZIOJSDX-OAHLLOKOSA-N 350.440 2.450 0 40 FEAB NC(=O)C1CCN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 12118262 UOAGRECQUFXEFT-UHFFFAOYSA-N 368.462 2.489 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407160 SYEZJMUIVYAFMP-GOSISDBHSA-N 362.437 2.359 0 40 FEAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)N1CCOCC1 13266279 IGNKGBFXOKJTHN-UHFFFAOYSA-N 359.451 2.119 0 40 FEAB COc1ccccc1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 19571251 FNDSPPIYEWSLDB-UHFFFAOYSA-N 356.407 2.201 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OC 205815488 VDVQECLJJJOCIJ-MDWZMJQESA-N 351.380 2.303 0 40 FEAB COc1nccnc1O[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 225492533 GDBULNPIRISBIP-AWEZNQCLSA-N 360.414 2.093 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 6370938 VEPFSDFDAYZOLV-UHFFFAOYSA-N 353.334 2.145 0 40 FEAB Cc1cc(CCC(=O)N2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)ccc1F 1888853659 ICJOMHITZIBGNQ-IRXDYDNUSA-N 354.429 2.452 0 40 FEAB CCN=c1nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C)[nH]1 1889128319 PIJSMNALQQBFID-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 36722761 MSQKHUYTZGFMMT-KRWDZBQOSA-N 356.422 2.032 0 40 FEAB CC(C)NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 3906615 DKYVOOLLOHGIRB-UHFFFAOYSA-N 351.406 2.071 0 40 FEAB O=C(CCc1ccccc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251312 DXDZDYXIPXANKM-UHFFFAOYSA-N 359.389 2.285 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(F)cc4)cnc32)cc1 10251446 NJAVVDGITXMFBJ-UHFFFAOYSA-N 363.352 2.414 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883206 ONBMSKNYFPEHME-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB COC(=O)[C@](NC(C)=O)(Nc1nc2ccc(F)cc2s1)C(F)(F)F 16995565 NWAFINYAYXIPQO-LBPRGKRZSA-N 365.308 2.415 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc(Cl)cc1 10254209 OOYOGCBPHGLDIF-UHFFFAOYSA-N 371.780 2.440 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1OC 9357083 KWGHCGLSACSWSS-SJLPKXTDSA-N 366.373 2.305 0 40 FEAB Cc1ccc(CNC(=O)NCC(=O)N[C@H]2CCOc3ccccc32)cc1 40033554 BJXJPIDLCQHUQW-KRWDZBQOSA-N 353.422 2.434 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 40111474 GDWKWVGLLQLJFN-XIKOKIGWSA-N 357.362 2.405 0 40 FEAB CCN(CC)CCn1cc(NC(=O)NC[C@@H](O)c2ccc(C)cc2)cn1 40158648 XUZNHDKEYWDTOD-GOSISDBHSA-N 359.474 2.388 0 40 FEAB CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101913382 XGUCGICGJHWRSH-DFEHZGFQSA-N 352.390 2.025 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c1 32771972 FDVLFNNKSQQHTQ-IBGZPJMESA-N 365.393 2.248 0 40 FEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccncc2)CC1 32882077 NMIUVWPTWHDKSS-KRWDZBQOSA-N 373.840 2.407 0 40 FEAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102725944 UDAVBTNCLNCSAH-YLAIJBQPSA-N 374.387 2.291 0 40 FEAB O=S(=O)(NCc1ccccc1N1CCOCC1)c1ccc(F)cc1 41572285 OHLJUVZMXNZBQR-UHFFFAOYSA-N 350.415 2.141 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)[C@H]2C=C[C@H]1C2 103798535 NKYQIXDVGBMCNG-PYTWLRIVSA-N 355.369 2.151 0 40 FEAB CN1CCN(CCNc2ncnc3ccc(Br)cc23)CC1 22861681 DDKUYDLKKGADFQ-UHFFFAOYSA-N 350.264 2.052 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 23248830 WYVSPPQHXGREDL-INIZCTEOSA-N 374.529 2.108 0 40 FEAB CC(=O)[C@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4278903 RBFZONRYEOTPMK-OPQQBVKSSA-N 368.258 2.098 0 40 FEAB CCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@H]1[S@@](=O)CCCCC 4772733 HBDJWXISPOPUAE-YKLJGAPNSA-N 356.575 2.030 0 40 FEAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCC1 1107692 CNQNAEQPTAGWAC-AWEZNQCLSA-N 354.447 2.239 0 40 FEAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)NCCc1ccccc1 4945710 UTDSACHYGSNTKV-UHFFFAOYSA-N 361.448 2.141 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC[C@@H](c1ccco1)N(C)C)(C3)C2 6083406 QQYANPIIHVTJET-WGWNNVQWSA-N 373.497 2.474 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 105928911 KOYDMSFKNYFJQO-NHULGOKLSA-N 356.513 2.487 0 40 FEAB COc1ccsc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 106011352 BQZXYEQOQZKQBZ-UHFFFAOYSA-N 356.451 2.362 0 40 FEAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1cn2c(n1)CCCC2 97086249 GQNTVFVVBYVEEO-UHFFFAOYSA-N 365.503 2.167 0 40 FEAB C[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl 24985834 SUFKYODULPCZDC-PXAZEXFGSA-N 373.840 2.270 0 40 FEAB O=C(CCNc1ncccn1)NCc1cccc(N2CCCCC2=O)c1 55669706 LWMQGYFKHYLPBK-UHFFFAOYSA-N 353.426 2.112 0 40 FEAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 3244401 IAAHIYPZJUKMHF-XBXARRHUSA-N 357.337 2.427 0 40 FEAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 3278587 ZPCUPFDDIOUAGD-UXBLZVDNSA-N 371.389 2.282 0 40 FEAB Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(C)c(=O)c2[nH]1 57521516 GSDFOXOWHRRIKK-UHFFFAOYSA-N 370.478 2.411 0 40 FEAB O=C(NCc1ccccn1)[C@H]1CCC[C@@H](C(=O)NCc2ccccn2)C1 58174043 ARFJJMVLADEQSW-IYBDPMFKSA-N 352.438 2.216 0 40 FEAB CN(CCOc1ccc(Cl)cc1)CN1C(=O)C[C@]2(CCSC2)C1=O 58204980 BRRNLRFPOJNBIB-KRWDZBQOSA-N 368.886 2.490 0 40 FEAB COc1ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c1 2103803 FQRHUHMCZUITNO-HNNXBMFYSA-N 361.394 2.268 0 40 FEAB biogenic CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58431463 KRWBNFADOZVYAH-SFHVURJKSA-N 360.502 2.066 0 40 FEAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3399667 RPEPAVMHXRWDSP-ZDUSSCGKSA-N 362.451 2.437 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl 45501412 MSADKRFBLQWAAV-CYBMUJFWSA-N 365.282 2.076 0 40 FEAB COc1ccccc1COC[C@@H](O)Cn1c(NCCO)nc2ccccc21 46342380 XMQZPWIMRAEAAF-INIZCTEOSA-N 371.437 2.027 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)c1n[nH]c(=O)c3ccccc13)CC2 2663295 GNQUKICKMUUPRS-UHFFFAOYSA-N 365.389 2.139 0 40 FEAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497770 ZQOUNTKAQZRKOM-QGZVFWFLSA-N 357.362 2.407 0 40 FEAB CCOC(=O)N1CCC(NC(=O)COc2ccccc2OCC)CC1 12948793 XWSRPMRQKAOWTQ-UHFFFAOYSA-N 350.415 2.201 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1 13138272 MONOOZFZVLULMD-SSDOTTSWSA-N 355.420 2.357 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3nnc(C(C)C)s3)n2n1 71284020 WOWUUTQIQQZUGN-UHFFFAOYSA-N 361.431 2.069 0 40 FEAB Cc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 19683312 PZOGCNXSFRNKGD-UHFFFAOYSA-N 365.477 2.491 0 40 FEAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCC1 4723489 QABXHYQYAIEOBI-UHFFFAOYSA-N 358.486 2.349 0 40 FEAB Cc1c(NC(=O)[C@@H](C)OC(=O)C2CCC2)c(=O)n(-c2ccccc2)n1C 6934776 TZSNHZXEDSJYME-CYBMUJFWSA-N 357.410 2.155 0 40 FEAB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1ccccc1N1CCCCC[C@@H]12 9344350 MKJXSGXBUAJDHW-UZLBHIALSA-N 369.490 2.384 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 8263587 LFQXJDVWIRPDHK-GFCCVEGCSA-N 357.797 2.431 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C3CCC3)C[C@H]1C2 306124508 BSANGJCGIMKUFF-CHWSQXEVSA-N 355.417 2.326 0 40 FEAB CCNC(=O)COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OCC 9913425 VUKRCTYXWFTWDT-LJQANCHMSA-N 369.421 2.454 0 40 FEAB O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 21453646 UZAOVOGURDNFEG-UHFFFAOYSA-N 369.208 2.414 0 40 FEAB CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 26441443 GSGPWWXGUNKFLT-UHFFFAOYSA-N 352.847 2.256 0 40 FEAB O=C1C[C@H](c2ccc(OCCOc3ccccc3)cc2)N2NC=NC2=N1 409379659 ZGZKGPNLJCWGSQ-QGZVFWFLSA-N 350.378 2.320 0 40 FEAB COCCN1CCN(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)CC1 512477058 KMGNRPROVMNMTI-OALUTQOASA-N 357.498 2.154 0 40 FEAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C)s1 38535091 ACFYKQPADNMLPA-QMMMGPOBSA-N 361.456 2.156 0 40 FEAB CC(C)CC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980642 FHALRJJVTUUTEF-KRWDZBQOSA-N 360.454 2.337 0 40 FEAB CC(C)[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OCc2ccccc2)C1 79413216 NQHPWUMSCVOGFT-MSOLQXFVSA-N 361.486 2.477 0 40 FEAB CC(=O)N1CC[C@@]1(CCCc1cccc(Br)n1)C(=O)N(C)C 72350893 KZNCELJLXDIKNQ-INIZCTEOSA-N 368.275 2.246 0 40 FEAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225649905 GENBSDIWTKASRL-LJQANCHMSA-N 364.442 2.068 0 40 FEAB COCCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 222716151 ZKMOYXSWXGVINE-UHFFFAOYSA-N 360.501 2.318 0 40 FEAB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2OC)cc1 48663672 JFUCAOAKBXWVHF-UHFFFAOYSA-N 356.378 2.127 0 40 FEAB C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768653 CKUJMBADEHONAC-OAHLLOKOSA-N 374.868 2.408 0 40 FEAB COc1cccc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)c1 96221627 NYJCNNQSIHOPRC-MRXNPFEDSA-N 368.437 2.361 0 40 FEAB Cc1ccc(CN2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)s1 96230487 QPEGPQPKAORAHH-LJQANCHMSA-N 356.495 2.375 0 40 FEAB Cn1cc(CN2CCC3(CC2)CO[C@@H](COCc2cccnc2)C3)cn1 96207587 HXOIYMIYMPYSFN-LJQANCHMSA-N 356.470 2.403 0 40 FEAB COc1ccc(OCC(=O)N2CCC3(CCCN(C(C)=O)C3)CC2)cc1 96156897 AHIJFMAUYVPAIX-UHFFFAOYSA-N 360.454 2.325 0 40 FEAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)C[C@H]1O2 96252872 ICRMYOGOZQCICI-QLFBSQMISA-N 351.834 2.486 0 40 FEAB CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n[nH]1 583619608 GQUQVEGVQKKBHU-KBXCAEBGSA-N 358.490 2.422 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)C1CCCC1)C2 96238011 DAULRVHOTQZUGO-HXUWFJFHSA-N 359.445 2.265 0 40 FEAB CC(C)N1CCN(c2cccc(NC(=O)c3cc4n(n3)CCO4)c2)CC1 580924313 ZFCQLJGBCPHMCG-UHFFFAOYSA-N 355.442 2.058 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 257337960 YVFQEXBCMUQBOV-OAHLLOKOSA-N 350.426 2.394 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257283217 OXGIDUTUPYNZKE-KRWDZBQOSA-N 357.458 2.287 0 40 FEAB Cc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257300107 RSYAWOWOLQDRBL-MRXNPFEDSA-N 358.442 2.226 0 40 FEAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3ccccc3Cl)CC2)n1 253537192 BASWRLICCHYWSP-UHFFFAOYSA-N 360.845 2.472 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)on1 257333041 XZVMBGSVMANKLJ-ZDUSSCGKSA-N 355.398 2.293 0 40 FEAB CCN(CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)C1 284899878 AIQIDNZHHMKDHC-CQSZACIVSA-N 354.472 2.046 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@H](O)Cn2ccc3ccccc32)C1 607737545 IFMBCKPKASNHBO-QRQLOZEOSA-N 363.461 2.283 0 40 FEAB O=S1(=O)CCC2(CC1)C[C@H]2c1nc(Cc2ccc3c(c2)CCO3)no1 1117591633 XWXUDIHRVVJHBG-AWEZNQCLSA-N 360.435 2.278 0 40 FEAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CCc1ccc(F)c(F)c1 1775957124 DSXGIMCBZMOOGP-WFASDCNBSA-N 352.385 2.286 0 40 FEAB Cc1c(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CC3)C2)oc2ccccc12 575402473 ATESFYJXMVPWPN-MRXNPFEDSA-N 364.405 2.413 0 40 FEAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575426071 LVPKLJGSCOFGEH-CQSZACIVSA-N 365.904 2.236 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 47554873 XYAWLRPBMAAYBR-MRXNPFEDSA-N 362.426 2.342 0 40 FEAB CCOc1ccccc1C(=O)NCC1(N2CCOCC2)CCSCC1 1776008400 FZTMAWUTPTYANR-UHFFFAOYSA-N 364.511 2.413 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCn2cnc3ccccc32)C1 58216940 KCSPAQPJVBNNCG-OAHLLOKOSA-N 356.470 2.437 0 40 FEAB Cc1ccc(S(=O)(=O)CCCN2CCOC3(CCOCC3)C2)cc1 91594608 DQXKOOAHZHSBMZ-UHFFFAOYSA-N 353.484 2.040 0 40 FEAB Cc1nn(CC(=O)NC[C@@H](C)c2ccccc2)c(=O)c2cc3occc3n12 5149267 WEVALMHGEXKLAO-CYBMUJFWSA-N 364.405 2.471 0 40 FEAB O=c1[nH]cnc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc12 11535495 YEPCVUTZBWJWHE-UHFFFAOYSA-N 354.391 2.138 0 40 FEAB Cc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 12373978 BGSDVJBAPOOPFW-UHFFFAOYSA-N 371.828 2.254 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1C 19571334 ZXUUIQMTLKCILW-KRWDZBQOSA-N 367.449 2.106 0 40 FEAB COc1ccc(-c2cc(C(=O)NCCc3c(C)nn(C)c3C)nn2C)cc1 19716170 PFCPBRPYFLFWOX-UHFFFAOYSA-N 367.453 2.419 0 40 FEAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 19936651 ACHBBEJMTYDOIV-NSHDSACASA-N 362.407 2.180 0 40 FEAB CCN=c1nc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc[nH]1 1889119547 XSQKHHIJIKINLX-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1noc([C@@H]2CN(C(=O)NC[C@@H]3CCCO3)C[C@@H]2c2ccccc2)n1 238879409 OWMJPXJVHQSODV-GVDBMIGSSA-N 356.426 2.450 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)c1cccnc1O[C@@H]1CCOC1 240068008 SHJCZCOPLSGFKC-CYBMUJFWSA-N 356.378 2.313 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037839972 HDQWMKWACSTEPB-FQEVSTJZSA-N 354.454 2.208 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565552604 OVGUBSSAWBTDGR-OAQYLSRUSA-N 366.465 2.384 0 40 FEAB Cc1ccc2nc(SCC(=O)N3CCc4ccccc43)nc(=O)n2c1 4499818 AOYARMKOUAABIZ-UHFFFAOYSA-N 352.419 2.079 0 40 FEAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccccc1 17178530 MDMBEHJFQPBPQV-IBGZPJMESA-N 367.449 2.205 0 40 FEAB Cc1nc(C(=O)N[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cs1 2055745540 IQAPNDWIUUIXTM-GFCCVEGCSA-N 374.466 2.399 0 40 FEAB Oc1c([C@H](c2ccccc2)N2CCC3(CC2)OCCO3)sc2ncnn12 22609164 JSXDQRCACLGGJY-AWEZNQCLSA-N 372.450 2.425 0 40 FEAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[C@H]1Cc2ccccc2O1 69496503 SGXQAQBMWZYVEP-AZUAARDMSA-N 352.434 2.180 0 40 FEAB COCc1nnc(NC(=O)c2sc(N(C(C)=O)C(C)C)nc2C)s1 40267774 LAWKWZBGQHJTOC-UHFFFAOYSA-N 369.472 2.463 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)O)s2)cc1OC 40312532 GKDIGLZCYBBICR-VIFPVBQESA-N 350.396 2.339 0 40 FEAB biogenic COc1ccc2cnn(CC(=O)N3CCc4ccccc43)c(=O)c2c1OC 32089056 GJROIXNBOLMVDX-UHFFFAOYSA-N 365.389 2.003 0 40 FEAB Cc1ccc(-c2nc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cs2)cc1 32740753 JDCFKGVUCPYDFK-MRXNPFEDSA-N 350.465 2.426 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccs1 32820381 JLASRONZINLHKD-UHFFFAOYSA-N 350.465 2.130 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCN1CCSC1=O)c1ccc(C)cc1 52987367 FFYIVXKWEWEDLP-CQSZACIVSA-N 350.440 2.274 0 40 FEAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)NC[C@@H]1CCOC1)C3 47067514 PXALWHJSKGNSGK-LBPRGKRZSA-N 357.410 2.059 0 40 FEAB CN(C)S(=O)(=O)Oc1ccccc1C(=O)Nc1ccc(F)cc1F 3052224 KGISWHOAGCZFBU-UHFFFAOYSA-N 356.350 2.402 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCCC1 905653 KSXBXWBATQVJDW-AWEZNQCLSA-N 373.478 2.290 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 800660 HAMJODPMVLEWLK-UHFFFAOYSA-N 366.483 2.253 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1 23073571 RFQBBLWBMPWCAO-UHFFFAOYSA-N 366.483 2.232 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3504578 HKMJUMNCBFDOIS-UHFFFAOYSA-N 368.389 2.310 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12 4062933 OPILUJXCVXAIRR-CQSZACIVSA-N 359.378 2.118 0 40 FEAB biogenic Cc1ccc(CNC(=O)[C@H]2CCCN(c3cc(C)nc4ncnn34)C2)cc1 4898200 UQGRNBCHWVMAEU-KRWDZBQOSA-N 364.453 2.274 0 40 FEAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ncccn2)CC1 6935809 XERIUVHSKTWRMV-UHFFFAOYSA-N 372.372 2.006 0 40 FEAB CSc1nc(N2CCCC2)c2cc(C(=O)N3CCOCC3)sc2n1 7604284 MDSWFKIBFTUNRW-UHFFFAOYSA-N 364.496 2.486 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1Cl 7881258 MDSTWPPHGHVQHB-UHFFFAOYSA-N 362.879 2.274 0 40 FEAB C[C@@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 97102676 ZLGXSXDTPFYMRZ-MLGOLLRUSA-N 371.441 2.070 0 40 FEAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 97123976 BKWIKBCCZMPVRA-KRWDZBQOSA-N 374.487 2.340 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)Oc3ccc4c(c3)CCC(=O)N4)cnc12 55254473 CTFUNRKHCSIZAC-UHFFFAOYSA-N 363.373 2.195 0 40 FEAB O=C(NCc1cn2ccccc2n1)[C@H]1CCCN1C(=O)c1cccs1 12506815 NIBRCGUBCVUGKN-CQSZACIVSA-N 354.435 2.317 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCC[C@H](C(F)(F)F)C1 24929053 PSGYWANUILYAMY-RYUDHWBXSA-N 372.343 2.382 0 40 FEAB COc1ccc(-c2nc3cc(N4C[C@@H](C(N)=O)CC4=O)ccc3o2)cc1 57327211 QNWCBCCFRQTWTB-LBPRGKRZSA-N 351.362 2.342 0 40 FEAB COc1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1OC 95348563 POJMTJOKUYEYJL-LLVKDONJSA-N 369.418 2.134 0 40 FEAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 9828090 PLONMQAHAMMZFA-UHFFFAOYSA-N 356.378 2.177 0 40 FEAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2Cl)CC1 12607902 PAWFCQUFDOSTLN-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CCOc1ccc(Br)cc1S(=O)(=O)NCCCOC 27530749 LKVAGKIAUVSWBA-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB Nc1nc(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n[nH]1 58191173 GNQGXLKPWWXKBG-UHFFFAOYSA-N 374.451 2.432 0 40 FEAB Cc1noc2ncc(C(=O)N3CCN(C(=O)Cc4ccccc4)CC3)cc12 48221051 BOKQTYXFWJLGBJ-UHFFFAOYSA-N 364.405 2.058 0 40 FEAB O=C(NCCc1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 58224911 TZYXRPGLOHQQNX-UHFFFAOYSA-N 353.422 2.102 0 40 FEAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)c12 2112955 YDLMELFXYPSBPD-NWDGAFQWSA-N 361.394 2.411 0 40 FEAB biogenic O=C(NC1CCCCCC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48369146 NNVHYHUADYMMCT-UHFFFAOYSA-N 362.451 2.446 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 20768472 WDHNDDVAZKLELZ-UHFFFAOYSA-N 372.368 2.284 0 40 FEAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1cccs1 22076397 WACBTRNTGQDLSB-CQSZACIVSA-N 350.484 2.396 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccoc1 8983301 DBNRTYXQBPMVLT-UHFFFAOYSA-N 354.453 2.446 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059953 HLYHBKSRLBWRAG-GFCCVEGCSA-N 352.398 2.217 0 40 FEAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc2c(c1)ncn2C 95474747 NLWPREBOSQNBRT-UHFFFAOYSA-N 365.368 2.369 0 40 FEAB CN1CCN(C(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1 93173500 VCMARYAMBQAELJ-KRWDZBQOSA-N 365.905 2.266 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)n2N)cc1 6100727 UOLHFXBTQVSMCZ-GFCCVEGCSA-N 361.471 2.018 0 40 FEAB CSc1nc2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2s1 14249524 GQGLGFOLCFALIT-LLVKDONJSA-N 371.509 2.381 0 40 FEAB CCOc1ccc(OCCNC(=O)c2ccccc2SCC(N)=O)cc1 14246329 YZZMBKDMFZHSKR-UHFFFAOYSA-N 374.462 2.472 0 40 FEAB COc1cc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc(OC)c1 4852667 CRSBJYINPRARGQ-UHFFFAOYSA-N 367.409 2.487 0 40 FEAB NC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 67710962 PLKOXOUEDQOGPB-CQSZACIVSA-N 372.494 2.237 0 40 FEAB C[C@@]1(NC(=O)COc2ccccc2Cc2ccccc2)CCS(=O)(=O)C1 7473348 DSXNFDBMAHXPQZ-HXUWFJFHSA-N 373.474 2.350 0 40 FEAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 7619332 FNDASALXKUWQKR-CYBMUJFWSA-N 359.451 2.114 0 40 FEAB C[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc2c(c1)OCO2 7703105 DZWRDKJRYVTYBB-JTQLQIEISA-N 373.390 2.237 0 40 FEAB COc1ccc(-n2nc(C(=O)N3CC[C@@H](N4CCCC4)C3)cc2C)cc1 92390366 IFHUDFAOBBEIDR-QGZVFWFLSA-N 354.454 2.500 0 40 FEAB CN(CCN1CCO[C@H]2CCCC[C@@H]21)CCN1CCO[C@@H]2CCCC[C@@H]21 95972761 MARNIHIDPVBCJS-XSDIEEQYSA-N 365.562 2.205 0 40 FEAB C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc2c(c1)CC(=O)N2 75118078 RQUSDLQFLIAQPA-LLVKDONJSA-N 357.435 2.240 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 23886293 ZRRMZOOUQSWXKK-LBPRGKRZSA-N 350.362 2.458 0 40 FEAB CCOC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 42743394 XUYXTTVVXGQZEW-UHFFFAOYSA-N 358.442 2.273 0 40 FEAB COCCN1CC[C@]2(CN(C3CCC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134268 NHGWILRXXQRKOW-YLJYHZDGSA-N 360.502 2.281 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 72360352 CDKLHJFBAUWJOP-CQSZACIVSA-N 356.459 2.451 0 40 FEAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38753014 YFSPDAUXNUPNRL-QAPCUYQASA-N 374.462 2.481 0 40 FEAB Cc1nnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1C1CC1 571349832 ZEMGDPTZVJJSDO-HNAYVOBHSA-N 357.506 2.170 0 40 FEAB C[C@H]1CN(C[C@@H](O)COc2ccc(C(=O)O)cc2)Cc2ccccc2O1 575936085 KXVOFQFZBLJQHV-WMLDXEAASA-N 357.406 2.408 0 40 FEAB CCOC(=O)C1CCN(C(=O)Cn2ccc(=O)c3cc(C)ccc32)CC1 225746181 HXWIPMKMSHXTAB-UHFFFAOYSA-N 356.422 2.112 0 40 FEAB O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1c(F)cccc1F 225564322 UZUAYXSGXSRKRM-UHFFFAOYSA-N 374.453 2.134 0 40 FEAB Cc1ccc(C)c(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 224000863 XLZNKYONXSCBHP-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CCOc1cc(CN2CCC(C(=O)N[C@@H](C)COC)CC2)ccc1O 199402829 HLOJBNJCPSJCOG-AWEZNQCLSA-N 350.459 2.154 0 40 FEAB Cc1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)Nc3cccnc3)C2)no1 96207548 PIJWZPNVUDTUNS-ZTFGCOKTSA-N 356.426 2.244 0 40 FEAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108768 LBJXHRHQZDUFSE-IEBWSBKVSA-N 350.459 2.183 0 40 FEAB O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@H](N2CCCC2=O)C1 581982824 XQAMHMDLYCTWON-NSHDSACASA-N 360.443 2.152 0 40 FEAB CCn1nnc2c1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H]2COC 96068761 GUZIZMAYAHOFIT-HNNXBMFYSA-N 350.369 2.271 0 40 FEAB c1ccc2oc(-c3nnc4sc(CCN5CCOCC5)nn34)cc2c1 96194082 KNMYYKCLOXMZPX-UHFFFAOYSA-N 355.423 2.474 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2=O)c1 96159605 VMDLUPKJMYTHNL-FQEVSTJZSA-N 350.422 2.050 0 40 FEAB Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 243832181 QZJQCAOJIYRVIZ-UHFFFAOYSA-N 352.843 2.243 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@@H]3COCC2CCOCC2)cs1 248001397 BYGQDVRAPULETR-OAHLLOKOSA-N 366.483 2.126 0 40 FEAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]23)n1 247947382 WWVDSXURHHRAJS-ZOBUZTSGSA-N 357.410 2.243 0 40 FEAB CCOc1ccc([C@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2CC)cc1 257326989 WZJQKXZBBFMFNU-QUCCMNQESA-N 373.497 2.159 0 40 FEAB CN1CCN(C(=O)c2ccncn2)C[C@H](Cc2cncc3ccccc23)C1 257299186 RPAUINSECFMJRS-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 252013402 UIXDPEXXTYQUFB-OAHLLOKOSA-N 369.425 2.458 0 40 FEAB Cc1cc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)nc(C)n1 257303687 SIGUKIRYFRPJSO-GOSISDBHSA-N 352.442 2.326 0 40 FEAB Cc1n[nH]c(C)c1CCNC(=O)c1c(C)nn(Cc2ccccc2)c1N 616025573 ZWMXYRHNKAIQES-UHFFFAOYSA-N 352.442 2.134 0 40 FEAB CSc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 648228145 DRUMVJADXTYEFE-UHFFFAOYSA-N 363.464 2.497 0 40 FEAB COc1cc2cc(C(=O)NCc3csc(O)n3)[nH]c2c(OC)c1OC 677646678 HIZQBPCNVWCLKN-UHFFFAOYSA-N 363.395 2.286 0 40 FEAB C[C@@H]1CCN(C(=O)COC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]2CCCC[C@H]12 89929904 JRUQWKXGNRZIFA-DDUZABMNSA-N 372.465 2.448 0 40 FEAB O=C(OCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 5678424 IPAVMWDXUCJBDU-GOEBONIOSA-N 356.397 2.264 0 40 FEAB biogenic CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCn3ccnc3C)cc2n1 12221284 MXISKFKEIWVCMK-MRXNPFEDSA-N 368.441 2.256 0 40 FEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13362317 OLSKNOUKXOBSPG-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)c(F)c1)CC2 19292984 AHFVMXURUKQTEE-UHFFFAOYSA-N 360.408 2.249 0 40 FEAB Cc1cc(C(=O)NC2=NS(=O)(=O)c3ccccc32)nc2ccccc12 19716869 SFSYHPFYLJUKJL-UHFFFAOYSA-N 351.387 2.422 0 40 FEAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OC 6326360 UVOIRBYNHFHWCV-JYRVWZFOSA-N 351.380 2.303 0 40 FEAB CCCc1cc(C(=O)N2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)no1 19525280 UFLKDWPIOWSDJC-LBPRGKRZSA-N 368.397 2.405 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCc1ccc(C(=O)O)cc1 13443624 BLMJWFUQAZGDQF-UHFFFAOYSA-N 366.417 2.413 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(c3ncnc4cnccc34)CC2)n1 1888891067 TWDRDOSWHCZDFO-UHFFFAOYSA-N 367.482 2.480 0 40 FEAB S=c1oc(-c2cccnc2)nn1CN1CCN(c2ccccn2)CC1 23995250 NDYHQZSBCAACGB-UHFFFAOYSA-N 354.439 2.442 0 40 FEAB Cc1nn(C)cc1CNS(=O)(=O)c1ccc(Br)s1 2771046 RRBWRQHGFNTWHF-UHFFFAOYSA-N 350.263 2.031 0 40 FEAB O=C(CC(F)(F)F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037977926 XWUADPMWZCJZKW-UHFFFAOYSA-N 356.344 2.363 0 40 FEAB COCc1ccc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)cc1 1565556235 ZMLGZBSVQXUBTD-UHFFFAOYSA-N 363.421 2.222 0 40 FEAB O=C(Cn1c(=S)[nH]c2ncccc2c1=O)NCc1cccc(Cl)c1 2959829 IFSDOBCRJGGVKI-UHFFFAOYSA-N 360.826 2.424 0 40 FEAB CNC(=S)N1CCn2cccc2[C@@H]1c1cc(OC)c(OC)c(OC)c1 4088210 IGFBWFFTNDLKNQ-INIZCTEOSA-N 361.467 2.423 0 40 FEAB O=C1C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1 5221818 ZHYXXJKHCGJNDH-GFCCVEGCSA-N 352.362 2.049 0 40 FEAB O=C(Nc1nncs1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 8048360 MVUXCWAXMBVGHY-UHFFFAOYSA-N 352.441 2.011 0 40 FEAB COc1ccc(C(=O)CSc2nnc(-c3cn(C)nc3OC)n2C)cc1 12422589 ZCFAIOYPLGWVAI-UHFFFAOYSA-N 373.438 2.208 0 40 FEAB CCOc1cccc2sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 17315807 UPACLUIDBYXVBZ-JTQLQIEISA-N 369.468 2.058 0 40 FEAB O=C(Cn1cccc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 206753837 KQFVYCICONMEDI-MRXNPFEDSA-N 350.415 2.092 0 40 FEAB O=S(=O)(Cc1noc2ccccc12)NC[C@@H](c1ccco1)n1cccn1 575613940 MLXMGXXIAMTKEN-HNNXBMFYSA-N 372.406 2.326 0 40 FEAB Cn1cnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)cc1=O 585533946 LMHSSVZVSUYFAN-UHFFFAOYSA-N 368.359 2.490 0 40 FEAB c1ccc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)cc1 2298092134 FUKCEIPCGSJFNI-KRWDZBQOSA-N 364.453 2.332 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 5013524 LUTJJOOJXRNPKW-UHFFFAOYSA-N 351.815 2.331 0 40 FEAB COc1cc2ncnc(N3CCN(c4ccccn4)CC3)c2cc1OC 32544288 RYILJMSXZIONRM-UHFFFAOYSA-N 351.410 2.369 0 40 FEAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)[C@@H]1CCS(=O)(=O)C1 32865687 HKHCQUAVYBOOTL-LLVKDONJSA-N 373.496 2.497 0 40 FEAB CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(C)C)c(OC)c1 637883 QSASNKJPEAKUAN-INIZCTEOSA-N 363.483 2.269 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccccc2)c1C 948381 JANZBLWAODPVDE-UHFFFAOYSA-N 371.422 2.369 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3490902 OJGCCAMKZXRHEN-UHFFFAOYSA-N 352.799 2.225 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)ccc1O 3653682 BBRGGYHKFUMBOV-UHFFFAOYSA-N 367.360 2.059 0 40 FEAB CCOC(=O)c1nnn([C@@H](C)C(=O)Nc2ccc(C)cc2)c1C(=O)OCC 4878202 UJDHIYACVQZITF-LBPRGKRZSA-N 374.397 2.140 0 40 FEAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nccs1 5015434 RPNQGLOYGAOXFT-UHFFFAOYSA-N 362.440 2.248 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCCCC2=O)c1 5452823 OONJABNECPKKRY-INIZCTEOSA-N 353.440 2.386 0 40 FEAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 5562478 WQILYYCDLXJYMC-KRWDZBQOSA-N 351.358 2.339 0 40 FEAB COc1cc(/C=C(/Sc2nnc(C)[nH]2)C(=O)O)cc(OC)c1OC 5721320 QUGQBWRIIPLVNZ-KPKJPENVSA-N 351.384 2.357 0 40 FEAB CCCCC(=O)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 7388512 BHHNMRICPVHHBT-SNVBAGLBSA-N 358.489 2.054 0 40 FEAB Cc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 7525881 GUSNQVSUJRFPAC-UHFFFAOYSA-N 364.442 2.259 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2cccs2)cc1NC(C)=O 7687644 YSDDVYLBYAEGNA-UHFFFAOYSA-N 354.453 2.236 0 40 FEAB O=C(OCc1nc(-c2ccsc2)no1)c1ccc(-n2cnnn2)cc1 7834180 RBKBWQWDRBLDBT-UHFFFAOYSA-N 354.351 2.131 0 40 FEAB C[C@]1(C2CCCCC2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 8039675 NOGQWQNLJFRQTR-HXUWFJFHSA-N 355.438 2.467 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc2c(c1)OCCO2 8705980 VDPHHDKSWZKRJZ-UHFFFAOYSA-N 352.350 2.474 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 9468749 LLDFHTKUGMCUKF-UHFFFAOYSA-N 357.841 2.419 0 40 FEAB CCOc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C(=O)NC)cc1 10255906 ARBZLRCLVZYNEO-GOSISDBHSA-N 354.406 2.168 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCc4sccc4C3)ccc21 10923674 POMDZLFEKCUUAR-UHFFFAOYSA-N 362.476 2.269 0 40 FEAB CN(CCCC(=O)Nc1ccccc1O)S(=O)(=O)c1cccs1 11679629 VKJGUDZFIMVJPP-UHFFFAOYSA-N 354.453 2.493 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2cccs2)n1 12123549 QOWIVVBUVSTCNC-UHFFFAOYSA-N 355.423 2.384 0 40 FEAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 12532169 ZZFINTAJYMJNJE-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB O=C(OCc1cc(=O)oc2cc(O)ccc12)[C@H]1COc2ccccc2O1 12824830 NJRMZYSPBNFVSQ-QGZVFWFLSA-N 354.314 2.382 0 40 FEAB Cc1c(CC(=O)N[C@@H](CO)Cc2ccccc2)c(=O)oc2cc(O)ccc12 12892660 BRWFRCYGMYUDBD-OAHLLOKOSA-N 367.401 2.069 0 40 FEAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cnc3ccccc3c2=O)c1C 14112531 MCQNBIKOUUZDOX-UHFFFAOYSA-N 353.378 2.401 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)N1CCc2sccc2C1 14310610 FGIIKAFPXKRFPC-UHFFFAOYSA-N 351.453 2.296 0 40 FEAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 15734109 YODNGCRCGKYTBP-UHFFFAOYSA-N 357.391 2.394 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 15742962 JZBRSOOMQINRII-MDZDMXLPSA-N 374.462 2.275 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CC34CCC4)ncc2C1 19018456 FYRGWTCRPJSEAY-WBVHZDCISA-N 354.454 2.235 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCC2CCOCC2)n1 19457472 RHJVSCBSZDJCKG-NSHDSACASA-N 351.838 2.262 0 40 FEAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19554301 WHVSTVRTIFOSDH-SFHVURJKSA-N 352.438 2.037 0 40 FEAB Cc1nn(CCNC(=O)c2cnc(N3CCC[C@H](C)C3)nc2)c(C)c1C 19557273 UIIOXPJEDAIILH-ZDUSSCGKSA-N 356.474 2.265 0 40 FEAB O=C(N[C@H](CCN1CCCCC1)c1ccccc1)c1cccn2nnnc12 19661950 OUHHSGLJNFMKDQ-GOSISDBHSA-N 364.453 2.471 0 40 FEAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3cc[nH]n3)CC2)c1 19749670 ARKCNPHCTCDUCZ-HNNXBMFYSA-N 356.426 2.185 0 40 FEAB COc1ccc(OCC(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 19842100 PZGPERNXBPZGFO-UHFFFAOYSA-N 370.449 2.427 0 40 FEAB CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929580 KIHZSMQDTPLSGI-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1OC 22413879 LCHVEWMDQNEALG-UHFFFAOYSA-N 363.391 2.356 0 40 FEAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCCN(C(=O)c2ccccc2)CC1 23057797 LDUJZLHIMNQRJC-GOSISDBHSA-N 355.413 2.200 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23686195 IQCROSBKVUVYSS-KSSFIOAISA-N 361.467 2.219 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21 25708769 XSBFVGQPAZVCQW-UHFFFAOYSA-N 363.377 2.147 0 40 FEAB COc1ccccc1NC(=O)C1CCN(CC(=O)NCc2ccco2)CC1 29903565 QJKIANMZBOEYCI-UHFFFAOYSA-N 371.437 2.255 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccco1 30757601 AQGHJGIZQXDDRH-UHFFFAOYSA-N 350.396 2.325 0 40 FEAB O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H]1CCS(=O)(=O)C1 31611931 VAOPQURYAHCOIS-NSHDSACASA-N 366.266 2.456 0 40 FEAB O=C1CCc2ccc(OCc3noc(C(=O)N4CCCCC4)n3)cc2N1 32101609 KNBPUVNINFIXDP-UHFFFAOYSA-N 356.382 2.159 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@H](CO)Cc3ccsc3)CC2=O)cc1 32803183 OVTSFQJHNHWWPM-IAGOWNOFSA-N 372.490 2.377 0 40 FEAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 35289648 UTQKHYBZWQIRBS-UHFFFAOYSA-N 371.418 2.083 0 40 FEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35307593 YVNYVIYUUIYAPA-ZDUSSCGKSA-N 368.412 2.199 0 40 FEAB COc1cccc(-c2cc3nc(C)cc(NCCN4CCOCC4)n3n2)c1 35314445 DPUNRXHWVPLPGK-UHFFFAOYSA-N 367.453 2.457 0 40 FEAB Cc1nn2c(nnc3c(=O)n(CCCO)ccc32)c1-c1ccc(Cl)cc1 40395970 PUBHJRCUHVSSBV-UHFFFAOYSA-N 369.812 2.450 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 45496034 JDYBXYFHBPFJNH-ZBFHGGJFSA-N 361.467 2.109 0 40 FEAB C[C@H](NC(=O)Cn1c(NCCO)nc2ccccc21)c1ccc(F)cc1 49874858 ATDNFOFJTYJWNY-ZDUSSCGKSA-N 356.401 2.457 0 40 FEAB CN(C)[C@@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1 50029666 YSUQQAKULMZUHV-NSHDSACASA-N 367.393 2.146 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)N(Cc1ccco1)C1CC1 52470596 JTQKSCODQHHXGA-UHFFFAOYSA-N 366.414 2.278 0 40 FEAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc(CN3CCOC3=O)cc2)c1 57119427 DRUURDKSWVNJKY-UHFFFAOYSA-N 362.407 2.454 0 40 FEAB CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 57501618 UATGTYOOPHVCJK-OAHLLOKOSA-N 364.511 2.444 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@@](O)(c2ccco2)C2CC2)cc1F 75154972 ICFOQIOUJSCYSW-KRWDZBQOSA-N 369.414 2.394 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 75566921 QRSKUGXYZGSRGE-QZTJIDSGSA-N 367.405 2.080 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H]2C(C)(C)O)c1 89904597 NISWIWGUZDURQW-CXAGYDPISA-N 350.459 2.116 0 40 FEAB CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410233 GKEULKRZYDLHRK-ZDUSSCGKSA-N 355.398 2.123 0 40 FEAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2ccnc2)c1 95417395 GAQNKXNYRFFOFZ-KRWDZBQOSA-N 352.438 2.393 0 40 FEAB O=C1CCCN1c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 95482832 TWBYQOWREZHRTG-GOSISDBHSA-N 363.417 2.235 0 40 FEAB CN(C)c1cc(C(F)(F)F)nc(N2CCCN(c3cccnn3)CC2)n1 95952896 DYAUHMOCHDIGDH-UHFFFAOYSA-N 367.379 2.068 0 40 FEAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cn1 96047329 IBTXLRSOEFHJNS-UHFFFAOYSA-N 367.497 2.262 0 40 FEAB Cc1nc(C(=O)N2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)cs1 96107622 SXTMNSZLPIOMNE-YJBOKZPZSA-N 359.451 2.437 0 40 FEAB Cc1ccc(N2CCN(Cc3ccccc3)C3(CCNCC3)C2=O)cn1 96230400 OKKSJYOOMFRMAF-UHFFFAOYSA-N 350.466 2.361 0 40 FEAB O=S1(=O)CC[C@H](c2nn3c(Cc4ccccc4Cl)nnc3s2)C1 96231076 WMMYYONNZKPTBX-JTQLQIEISA-N 368.871 2.332 0 40 FEAB O=S(=O)(NCc1nc(-c2ccncc2)no1)c1cccc(Cl)c1F 97139886 YGQZSPWORVVTOP-UHFFFAOYSA-N 368.777 2.403 0 40 FEAB COc1cc(-c2nc3[nH]c(C(F)(F)F)cc(=O)n3n2)cc(OC)c1OC 100069495 YQQBHLIBABTQJV-UHFFFAOYSA-N 370.287 2.129 0 40 FEAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100427890 CZIQQKVBXUCIGS-NWZZKEMCSA-N 372.465 2.397 0 40 FEAB Cc1csc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)n1 101414469 TZQIQTRLYFWZLN-AWEZNQCLSA-N 372.450 2.291 0 40 FEAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 183307476 CXLKBFCRBWGWQA-HOQBHHMFSA-N 356.513 2.470 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc3sncc3c2)CC1 188221719 SUCTYXNGNBFPQA-UHFFFAOYSA-N 353.469 2.297 0 40 FEAB Cc1n[nH]cc1CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 257214577 CMNDNLUVLBTYBM-UHFFFAOYSA-N 364.457 2.496 0 40 FEAB CC(C)n1nccc1-c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 257260238 LBXNOOHLZFGVAF-UHFFFAOYSA-N 363.487 2.135 0 40 FEAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2ccccc2F)C1 257320541 VXGPSGZSRZHLBW-CYBMUJFWSA-N 351.447 2.407 0 40 FEAB Cc1cc(C)cc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 260761921 FCALCQSAHCPJAX-QGZVFWFLSA-N 368.499 2.145 0 40 FEAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2nccs2)CC1 306126021 DJQJDEDFOJLTKD-UHFFFAOYSA-N 374.514 2.101 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 306133248 MGRMYTMTVZARBT-IRXDYDNUSA-N 374.448 2.230 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306140153 ULXIZVNBHAJOMI-QGZVFWFLSA-N 354.406 2.235 0 40 FEAB COc1ccc(Cl)cc1C(=O)NCC1CCN(C(=O)N(C)C)CC1 390829902 HJSYVBKBVKTJES-UHFFFAOYSA-N 353.850 2.472 0 40 FEAB Cc1cccc(COCC[C@H]2CCOC23CN(S(=O)(=O)C(C)C)C3)n1 575402709 FYDNGZIZMHEKAP-INIZCTEOSA-N 368.499 2.126 0 40 FEAB Cc1nnc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)s1 575413826 RITMJFFKHFAKJX-UHFFFAOYSA-N 352.423 2.378 0 40 FEAB Cc1c(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)cnn1C 585098010 QIJACRORNBPHGG-CQSZACIVSA-N 358.490 2.084 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@H](O)[C@H](Cc3cccc(F)c3)C2)c1C 585276033 LHWJVUXUJIMZSB-QAPCUYQASA-N 359.445 2.496 0 40 FEAB COc1cccc(C[C@@H]2NC(=O)N(CCCc3nc(C(C)C)no3)C2=O)c1 629450804 CFNAOOGGENAIFR-HNNXBMFYSA-N 372.425 2.297 0 40 FEAB Cc1nn(C)c2c1N(C(=O)[C@H](C)n1ccc3ccccc3c1=O)CCO2 631764270 RUJKVRCWWPLXEM-ZDUSSCGKSA-N 352.394 2.030 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1204577273 VLGZARDXVRJNDN-UHFFFAOYSA-N 354.454 2.127 0 40 FEAB COCCO[C@@H]1CCN(C(=O)c2cc(C(C)=O)[nH]n2)[C@H]1Cc1ccccc1 1565555460 AYNOZMMARRWNAG-RBUKOAKNSA-N 371.437 2.101 0 40 FEAB CCn1cc(CN2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)c(C)n1 1615162479 XYRIQYZQQJJIJC-RBUKOAKNSA-N 353.507 2.106 0 40 FEAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615591169 QCDNZXUBBNYWGI-HOCLYGCPSA-N 360.845 2.252 0 40 FEAB O=C([C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CCC1 1772595880 QKQWRCSNFNTCQC-HBFSDRIKSA-N 374.456 2.466 0 40 FEAB CN(C(=O)OC(C)(C)C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775969887 QPWVGWIDZVSEAA-UHFFFAOYSA-N 358.446 2.447 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@@H](Cc2cncc(-c3nccn3C)n2)C1 1848353191 UOTOUGHJLGESCM-ZDUSSCGKSA-N 368.466 2.347 0 40 FEAB O=c1cc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)nc2ccccn12 1888882097 LKAZMVXAOJMSQW-CQSZACIVSA-N 363.421 2.267 0 40 FEAB Cc1ccc(C)c(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 1889122682 OEOWDMFOQWGOHW-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1363263 JFDGMTWIRRTYDW-AWEZNQCLSA-N 364.492 2.465 0 40 FEAB Cc1noc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 104300208 MMCSZOYPLDNVLY-INIZCTEOSA-N 368.359 2.449 0 40 FEAB Cc1c(C(=O)N2CCN(C3CCOCC3)CC2)c(=O)oc2ccccc12 78760335 ATNBNEQPOQUOCA-UHFFFAOYSA-N 356.422 2.038 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 3413407 UYZIRFXOYZYXFT-UHFFFAOYSA-N 358.341 2.283 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1ccccc1Cl 23482432 ZGSRWBDVSCTKJX-VIFPVBQESA-N 358.833 2.397 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)no1 23989981 LSWBXNGTVOGWQV-UHFFFAOYSA-N 369.347 2.158 0 40 FEAB CCn1cc(CN(C)[C@H]2CN(C/C=C/c3ccc(OC)cc3)C[C@@H]2O)cn1 72481586 PYGGPYKINWGQEB-FBGCVXFKSA-N 370.497 2.102 0 40 FEAB O=C(NC1CCC(O)CC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 84587897 OYHYTDNRTZPAGQ-QWQCLYJRSA-N 373.478 2.103 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)C1 106115492 BMEPCEBPVKBFGC-QAPCUYQASA-N 362.495 2.337 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(C)C)c(OC)c1 9536293 WLEFIPGIEYKEAU-GFCCVEGCSA-N 366.414 2.121 0 40 FEAB O=C(c1cn(-c2cccc(F)c2)nn1)N1CCN(c2ccccc2)CC1 44168129 YYSKKCTWDDSXRG-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB O=S1(=O)N[C@H]2N(Cc3ccccc3C23CCOCC3)c2ccccc21 1806957 SUWGOYUFZOHNRE-SFHVURJKSA-N 356.447 2.373 0 40 FEAB Cc1ccccc1OS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12790476 YVIBVMMPVUUSPQ-UHFFFAOYSA-N 367.448 2.203 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(O)cc1 3355240 SXYJCQUDFDYPHK-LLVKDONJSA-N 373.442 2.265 0 40 FEAB CN(CCOc1ccccc1F)CC(=O)Nc1nnc([C@H]2CCCO2)o1 58307059 VQOVUOWAWXJPKZ-CQSZACIVSA-N 364.377 2.010 0 40 FEAB COc1ccccc1OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 23057130 GDHVJTZPARYWSC-OAHLLOKOSA-N 367.467 2.032 0 40 FEAB Cc1cc(C)c(C(=O)COC(=O)CCN2C(=O)NC(C)(C)C2=O)c(C)c1 45383103 SYOODMOFKVKEBI-UHFFFAOYSA-N 360.410 2.058 0 40 FEAB Cc1ccc(F)cc1-n1ccn(CC(=O)N(C)C2CCCCC2)c(=O)c1=O 67320318 FPKROZAQGAARCW-UHFFFAOYSA-N 373.428 2.238 0 40 FEAB COc1ccc(CNC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc1O 179565297 VSRKMAGNLOJMET-LLVKDONJSA-N 361.364 2.179 0 40 FEAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1nc2ncccn2n1 36618745 BWQWSYQSZGMSDQ-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB O=c1oc(-c2ccco2)nn1C[C@H](O)COCc1ccccc1Cl 12805331 VMYMVHZZPKCERJ-LBPRGKRZSA-N 350.758 2.327 0 40 FEAB O=C(CN1CCCC[C@H]1C(=O)N1CCCC1)NCCCc1ccccc1 62581198 QNKFRYFPYWSYKS-IBGZPJMESA-N 357.498 2.212 0 40 FEAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc3c(c2)OCO3)c1 3442711 FEDCENKHJQOGQR-UHFFFAOYSA-N 363.391 2.023 0 40 FEAB CC(C)c1ccc(OCCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 48496688 QIKBLNAZAXLCHZ-MRXNPFEDSA-N 371.524 2.225 0 40 FEAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1 12995143 VMCIHOKJKMKELI-LHSJRXKWSA-N 363.417 2.473 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccco1 13691931 LRXFPMPSVOFEDS-UHFFFAOYSA-N 367.405 2.411 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)c1 5206451 DWHYJLIVRGZYGA-NSHDSACASA-N 354.366 2.008 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)N2CCCC2)C3)cs1 306128319 GXFNDBYMBNEFRJ-HNNXBMFYSA-N 351.472 2.417 0 40 FEAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1ccco1 20725982 CPITXWXEJZERJK-UHFFFAOYSA-N 366.421 2.188 0 40 FEAB biogenic O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9306564 FICMMKXKPZKBMU-NSHDSACASA-N 369.443 2.322 0 40 FEAB COc1ccc(CCNC(=O)CCC(=O)NCc2ccco2)cc1OC 4615581 IUNXUPNCMZZBGJ-UHFFFAOYSA-N 360.410 2.052 0 40 FEAB COc1cccc([C@@H](NS(=O)(=O)c2ccccc2)c2nccn2C)c1 9317642 YFKLKPKXULPTIP-QGZVFWFLSA-N 357.435 2.497 0 40 FEAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1 6736585 UGRJPVMPTMSXQL-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB CCCCn1nnnc1CSCC(=O)Nc1ccc2c(c1)OCCO2 6850490 KPWUJGUFZVMJHE-UHFFFAOYSA-N 363.443 2.116 0 40 FEAB COc1cccc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)c1OC 6945329 DKFSYFNOJWERKC-UHFFFAOYSA-N 369.421 2.121 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 15646293 LRTSYEAVYQXNDF-ONNFQVAWSA-N 351.366 2.331 0 40 FEAB biogenic CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 8315757 XTQFXTBZSVWBMI-UHFFFAOYSA-N 355.394 2.364 0 40 FEAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1c[nH]c2ccccc12 8316674 NLMXUXGIGAINLL-UHFFFAOYSA-N 367.386 2.403 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3ccccc3)[nH]c(=O)c2c1C 8458185 UOZAHZPCIINGIE-UHFFFAOYSA-N 358.375 2.437 0 40 FEAB CC(C)OC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8621426 MOIWJBLPAOAXRK-UHFFFAOYSA-N 352.390 2.434 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609579 YKQMLBKRISLFPX-UHFFFAOYSA-N 356.463 2.284 0 40 FEAB Cc1ccc(CNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F 9652783 WANJJKHCMQBKSC-UHFFFAOYSA-N 361.329 2.098 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C 9690553 OLFNPVIHXBIHMX-UHFFFAOYSA-N 357.345 2.094 0 40 FEAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 408709603 UWLXCEJSTVKJPY-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cnn(CC)c4)C3)nn2)cc1 95998038 WVWVKYCPRBISFQ-UHFFFAOYSA-N 366.425 2.257 0 40 FEAB CC(C)CN1CCN(C(=O)c2ccn(Cc3ccccc3)n2)[C@@H](C)C1=O 548626978 PDPHSYRSPCVFBU-INIZCTEOSA-N 354.454 2.260 0 40 FEAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 519749082 AOCDRCSCMYNMKI-GFCCVEGCSA-N 370.388 2.163 0 40 FEAB O=C(Nc1nnc(SCCN2CCOCC2)s1)c1ccccc1F 35316102 GKOXRVOEVFTQPH-UHFFFAOYSA-N 368.459 2.354 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@H]1c1ccccc1F 72241553 ULVJKPCULSVZQI-QZTJIDSGSA-N 360.360 2.180 0 40 FEAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21 36617241 FRPXJQAWWFYGCI-UHFFFAOYSA-N 357.391 2.466 0 40 FEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217534490 DLFFVNIAXIOIPX-NEPJUHHUSA-N 358.460 2.299 0 40 FEAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218546131 XMOZQAIUUQOTIE-BQFCYCMXSA-N 364.394 2.483 0 40 FEAB CC(C)c1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c2cnn(C)c2n1 72143846 OHHZWVQQHJULCQ-CQSZACIVSA-N 356.474 2.326 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)cn1 72326891 FTAPSSDEJRXDER-KUDFPVQQSA-N 362.433 2.424 0 40 FEAB O=C(Nc1cccc(O)c1)C(=O)NC1CCN(Cc2ccccc2)CC1 40285260 ZBANJDWMANPQIW-UHFFFAOYSA-N 353.422 2.112 0 40 FEAB Cc1ncc2c(SCC(=O)NCc3ccc(F)cc3F)ncnc2n1 49006541 DHLJMPXATMZBIS-UHFFFAOYSA-N 361.377 2.415 0 40 FEAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)c(OC)c1OC 95117708 CWVUNHBUIYIDFY-SECBINFHSA-N 373.361 2.012 0 40 FEAB CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C/c1ccc3c(c1)OCO3)CC2 95393655 KITRPGKTJFGZEL-PXYYCUNGSA-N 354.410 2.275 0 40 FEAB O=C1OCc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 95473610 QYIZYTSLEVGYTQ-CQSZACIVSA-N 350.374 2.344 0 40 FEAB Cn1nnc(-c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)n1 96231107 LYTSWIMNACXDKX-UHFFFAOYSA-N 363.299 2.312 0 40 FEAB C/C(=C\C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 96134089 JCDMMTPFAVTVRT-CCEZHUSRSA-N 360.429 2.326 0 40 FEAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1cccs1 247806932 BTPCCKRSUAOIID-QGZVFWFLSA-N 374.510 2.434 0 40 FEAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260907919 UEKGKLZBDPJPLW-OLZOCXBDSA-N 372.487 2.019 0 40 FEAB Cc1csc([C@@H](C)CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 273283894 LPWADOUZFVTUTO-YVEFUNNKSA-N 363.487 2.246 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 1636207873 IGQBORBTBIKZNE-MRXNPFEDSA-N 355.438 2.475 0 40 FEAB C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCN(c2cnccn2)[C@@H](C)C1 1655145522 YVOLBGCIKWCZOY-KBPBESRZSA-N 350.426 2.135 0 40 FEAB Cn1nc(-c2ccccc2)cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 649140810 YEKDRPVOXXODKC-QGZVFWFLSA-N 354.454 2.070 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1cn(C)c2ccccc12)c1ccccc1 96096528 BNPUKUXFUQMGLT-IFXJQAMLSA-N 365.433 2.205 0 40 FEAB NC(=O)c1cc(NC(=O)c2ccc(Cl)c3ncccc23)cc(C(N)=O)c1 669906204 WQIBUGRFUVRHSG-UHFFFAOYSA-N 368.780 2.338 0 40 FEAB CO[C@@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Cc1ccccc1C 585281512 YIVAVOKASLXGQJ-RTBURBONSA-N 358.482 2.414 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109673 ZFHPYAXAPLTDAF-IKGGRYGDSA-N 356.447 2.294 0 40 FEAB O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280404 HSWZHSLKEXKOAL-TZMCWYRMSA-N 353.344 2.494 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108783 FEHXWEIHKLPVSQ-HRCADAONSA-N 352.381 2.402 0 40 FEAB CC(C)N1CCC(N2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)CC1 1615151916 ACANSEZMTWPRQU-FQEVSTJZSA-N 350.478 2.304 0 40 FEAB CN1CC(=O)N[C@H]2C=CN(Cc3c(Cl)cccc3Cl)C=C2C1=O 5759306 GZJOFOSOZXLQFY-AWEZNQCLSA-N 352.221 2.163 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cnc3ccc(OC)nc3c2O)C1 12222147 XNYYEQCPRLBHOF-LLVKDONJSA-N 374.397 2.151 0 40 FEAB Cc1nc2cc(OCc3cc(C(=O)N4CC[C@H](O)C4)no3)ccc2s1 12714033 DKCYFFHDKCYIAZ-NSHDSACASA-N 359.407 2.379 0 40 FEAB O=C(c1cc(-c2ccncc2)c(N2CCOCC2)s1)N1CCC(O)CC1 13268251 IOKVANBAQBNFNY-UHFFFAOYSA-N 373.478 2.244 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16022129 ZOXZTVVYASKWLB-PMPMRQNWSA-N 369.465 2.170 0 40 FEAB Cc1nc(C2CCN(C(=O)c3nc[nH]n3)CC2)sc1-c1ccncn1 19560762 HDUWHCAJQVBFEJ-UHFFFAOYSA-N 355.427 2.046 0 40 FEAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2nnc3n2CCNC3)C1 19711036 NQPIRIIEBKTRSO-OAHLLOKOSA-N 373.888 2.374 0 40 FEAB Cc1cccn2c(=O)c(C(=O)N[C@@H](CCN(C)C)c3ccccc3)cnc12 19714700 LMZHGORPLCACJH-SFHVURJKSA-N 364.449 2.426 0 40 FEAB Cc1cc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)nc(N2CCCCC2)n1 19718934 KHDAZBMPMDOSOG-UHFFFAOYSA-N 364.409 2.264 0 40 FEAB O=C(CCOc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644071992 OGSARROYWAMYAF-OIISXLGYSA-N 352.862 2.213 0 40 FEAB O=C(NCc1nc(C2CCOCC2)no1)c1ccc(Br)o1 575608985 QRCHZSAUHUKTKV-UHFFFAOYSA-N 356.176 2.249 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)CCF)C3)C2)cc1 1614938604 XERUWEWORIZSNW-SFHVURJKSA-N 363.389 2.131 0 40 FEAB CCCCCn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 4249253 WFGRKFVSSBLOHM-UHFFFAOYSA-N 371.441 2.090 0 40 FEAB O=C(NCc1ccc(Cl)cc1)NCc1nnnn1-c1cccc(F)c1 9616021 CDFSECLXABMYQM-UHFFFAOYSA-N 360.780 2.454 0 40 FEAB Cn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21 100825441 VGUDSSBAIQAOSV-ZCXUNETKSA-N 363.508 2.413 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1OC 103532602 KWGHCGLSACSWSS-FUHWJXTLSA-N 366.373 2.305 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)c1ccc(N2CCOCC2)nc1 40113705 FYRBDSWOHUZQHS-UHFFFAOYSA-N 355.438 2.344 0 40 FEAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1nnc(C2CC2)n1C 40152205 BASQOYSXTRHZSE-SECBINFHSA-N 368.846 2.147 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 100703184 OBJMIXZWDVTHBX-AWEZNQCLSA-N 355.369 2.437 0 40 FEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCC(N)=O)cc1 31668576 KUHINLQDLZKVBR-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB C[C@@]1(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1(Cl)Cl 101219839 AYEYDGYHUVLNJJ-BMIGLBTASA-N 355.221 2.414 0 40 FEAB CN(C)[C@H](CNc1c(NCc2ccncc2)c(=O)c1=O)c1ccccc1 101693087 BMNGMECZQRKHKC-MRXNPFEDSA-N 350.422 2.005 0 40 FEAB CNC(=O)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2F)c1 32433215 JQKXGUYZHXNLFP-UHFFFAOYSA-N 356.806 2.317 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1 22412728 LCRLXNMIBPQCDO-UHFFFAOYSA-N 372.513 2.339 0 40 FEAB COc1cc(-n2c(=O)c3ccccc3n3cnnc23)cc(OC)c1OC 12418853 YFFLHONZXDFFEG-UHFFFAOYSA-N 352.350 2.059 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1C 813968 PENAIAHARRSHFN-UHFFFAOYSA-N 368.499 2.319 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(C)c1ccccc1 3361885 LPIYVKOXCLOOAX-UHFFFAOYSA-N 370.405 2.021 0 40 FEAB Cc1ccc(C)c(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 6472973 DRZKSFBMMJXVJG-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB CC(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CN(C)CC4)ccc21 23609416 ZVCOPPDNRMOXAO-UHFFFAOYSA-N 356.451 2.292 0 40 FEAB CN(C)CCNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1 8623614 MPYXLUCBXLZXMQ-ROUUACIJSA-N 370.497 2.178 0 40 FEAB biogenic,in-vitro COc1cc(/C=C/C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1O 3273920 RWKKKUHADZMGTO-VQHVLOKHSA-N 367.357 2.253 0 40 FEAB O=C(O)CN(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 34926581 RCTCQJFMXIOCQN-UHFFFAOYSA-N 371.412 2.066 0 40 FEAB CCC[C@H](NC(=O)[C@@H]1OCC[C@@H]1C)C(=O)N1CCc2sccc2C1 107365553 HZUAZVRXQJSZJB-DUVNUKRYSA-N 350.484 2.343 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107339437 VANUZJVIWHDTLR-OFQRWUPVSA-N 360.410 2.461 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 57988842 FECFMSBTVJPYIH-KBPBESRZSA-N 363.458 2.323 0 40 FEAB CC(=O)N[C@@H](CC(=O)Nc1cccnc1-n1cncn1)c1ccc(C)cc1 57995169 JZODOWOJVFEETA-KRWDZBQOSA-N 364.409 2.177 0 40 FEAB Cc1csc2nc(CN3CCC[C@H](C(=O)NCC(C)C)C3)cc(=O)n12 48287258 XHBSSPZTFFEPLY-AWEZNQCLSA-N 362.499 2.049 0 40 FEAB Cc1cn2nc(NCc3cccc(OCCN4CCOCC4)c3)sc2n1 58163052 MMPJNOUNJFKCAL-UHFFFAOYSA-N 373.482 2.422 0 40 FEAB O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C1(c2ccccc2)CC1 12789491 NGGNPFHWOUZRBU-UHFFFAOYSA-N 370.474 2.251 0 40 FEAB CN(C)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cn1 58227657 DBWMSKHXJKZKEY-UHFFFAOYSA-N 374.242 2.488 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)on1 58231351 CUJDKQGTBGPGCC-CYBMUJFWSA-N 352.435 2.301 0 40 FEAB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2117878 HNPIQGSCCFRCHL-BDJLRTHQSA-N 373.405 2.419 0 40 FEAB biogenic CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 3367079 RDYHKZQEAZUZAJ-UHFFFAOYSA-N 351.358 2.271 0 40 FEAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(S(=O)(=O)C(F)F)cc1 10951079 JYJWMYZIFOUXDR-UHFFFAOYSA-N 374.390 2.047 0 40 FEAB CCOc1cccc2c(C)nc(NC3=NCN(C[C@H]4CCCO4)CN3)nc12 19330192 NRKQGNUVCXBDKU-CQSZACIVSA-N 370.457 2.104 0 40 FEAB CCn1ncc(CN(C)S(=O)(=O)c2c(C)nn(C(F)F)c2C)c1C 36614927 BZDQNXGBHBTAOB-UHFFFAOYSA-N 361.418 2.241 0 40 FEAB Cc1ccccc1-c1nc2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2n1 2403492 JONCKPYZZPZYHV-NXVVXOECSA-N 374.425 2.021 0 40 FEAB O=S(=O)(N1CCCC1)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1ccc(F)cc1 100113277 FBNRYCJPHOMJAM-UNEWFSDZSA-N 354.447 2.398 0 40 FEAB CCOCCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 36714563 UGSKKBCUABEGST-QGZVFWFLSA-N 356.422 2.390 0 40 FEAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566093 FEOSQHUQPGNWAF-UHFFFAOYSA-N 368.499 2.370 0 40 FEAB Cc1cc(C)c(CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c(=O)[nH]1 12826026 YKSBCGSAOYPPAI-JXMROGBWSA-N 365.433 2.448 0 40 FEAB CCC(=O)Nc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c1 95425568 QVKRGOIUACCPAF-UHFFFAOYSA-N 370.405 2.471 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 27529412 LEALWQJHZLZUMP-ZACQAIPSSA-N 356.422 2.275 0 40 FEAB CN(Cc1ccccc1Cl)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14054573 MOUTYRKDHAANHA-UHFFFAOYSA-N 357.797 2.002 0 40 FEAB NC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1OC(F)F 5340802 ZNFPVSLRMRRSLQ-UHFFFAOYSA-N 364.304 2.182 0 40 FEAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1cncn1 23750339 GQRDFLJKLAYUER-UHFFFAOYSA-N 370.240 2.462 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2C)c1 14164905 BGQUCZHXCCEHPN-UHFFFAOYSA-N 367.449 2.439 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 14237015 FWKOQZJLQDDQFC-QGZVFWFLSA-N 354.406 2.367 0 40 FEAB COCCCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 6589511 GTMQLRCKFQZFDX-JTQLQIEISA-N 355.851 2.482 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)CO)c2)c1 97203433 YFHRPOSYPWQVQR-CQSZACIVSA-N 362.451 2.215 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1 15607229 ONHCPLLXPBFVDY-SFHVURJKSA-N 366.417 2.328 0 40 FEAB Cc1ccc(-c2nc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cs2)cc1 9450633 SJMHMSTWYKJDLK-CYBMUJFWSA-N 350.465 2.378 0 40 FEAB CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)o1 9466498 JWCKFDUXZOABED-JTQLQIEISA-N 355.350 2.220 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 7944975 PHMFZWRLBUXMJV-UHFFFAOYSA-N 372.446 2.465 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1cccs1 7985328 BMVJEBUIEGOSHK-AWEZNQCLSA-N 355.419 2.115 0 40 FEAB CCNC(=O)[C@H]1CN(Cc2ccc(C(=O)OC)cc2)c2ccccc2O1 8163047 JSBTUGPWFZWZAR-GOSISDBHSA-N 354.406 2.377 0 40 FEAB CN(Cc1ccc(Cl)cc1)Cn1nc(CCC(N)=O)n(C)c1=S 16842342 DBAQPGFNIZBNTQ-UHFFFAOYSA-N 353.879 2.112 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-n3cccc3)cc2)cc1 8274499 VRILGDIDQQGIEF-UHFFFAOYSA-N 369.446 2.097 0 40 FEAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCCC1 17356379 ZAEGGCGDZLDKOZ-UHFFFAOYSA-N 365.227 2.448 0 40 FEAB O=C(NOCc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8776617 COWYPOFQAVKNGJ-HNNXBMFYSA-N 368.389 2.059 0 40 FEAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2N2CCCN12 19169983 QXTBICUHPJMWFJ-QRVBRYPASA-N 363.417 2.231 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 9884687 GIBRUVBSKYNILJ-GFCCVEGCSA-N 368.231 2.417 0 40 FEAB O=S1(=O)N=C(NCCc2csc(N3CCCC3)n2)c2ccccc21 95959824 QRPFFBRRNATZHF-UHFFFAOYSA-N 362.480 2.025 0 40 FEAB O=C(NCCOC1CCCCCC1)N1CCC[C@H]1CN1CCOCC1 74316627 ZBUOUUMQTHLXCA-KRWDZBQOSA-N 353.507 2.232 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 89779619 FJNVWGHUYUOZFN-OAHLLOKOSA-N 360.410 2.321 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCC2(CCCCCC2)C1 75968264 RFHCUPSFOHHEGV-JKSUJKDBSA-N 356.532 2.115 0 40 FEAB CN(C(=O)c1ccn(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 76498337 VKPNXVGGJGWXPA-SJORKVTESA-N 361.467 2.300 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)cc1 24051247 FQXQWPRASGATBY-JTQLQIEISA-N 350.371 2.310 0 40 FEAB Cc1nnc([C@]23COC[C@@H]2CN(C(=O)c2ccc(C(C)C)nc2C)C3)o1 1551078674 VMTJYJBICZJBSC-IFXJQAMLSA-N 356.426 2.245 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(F)c1 408555579 BCIINVJBGTVMLL-LBPRGKRZSA-N 366.414 2.448 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 408602789 IXUVMPYTQAVJEM-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB CN1CCc2nnc([C@H]3CCCN3C(=O)CCc3ccccc3)n2CC1 72380123 KLRSMTDPJNZOBO-QGZVFWFLSA-N 353.470 2.062 0 40 FEAB CN(c1cccc(NC(=O)COc2ccc(F)cc2)c1)S(C)(=O)=O 222781227 PHHIKKGSWLEIHP-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB O=C(O)[C@@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCCC2 49467035 BANJIZZIGAOHQU-SFHVURJKSA-N 372.465 2.346 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCSC2CCCCC2)c1 225408391 QLTVWLDXXBPLSA-UHFFFAOYSA-N 356.513 2.390 0 40 FEAB CO[C@@]1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCSC1 96097633 VZCSPUMDWUMKMH-QGZVFWFLSA-N 371.524 2.050 0 40 FEAB CCOC(=O)c1nn(CC(C)(C)C)c(N)c1I 95094680 IBUGLFLUEICPRI-UHFFFAOYSA-N 351.188 2.293 0 40 FEAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCCO1 96057294 GTMBNFSLMCNABJ-LMMKCTJWSA-N 362.445 2.464 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 96159123 HAMOYXRCJAKTLU-UHFFFAOYSA-N 351.406 2.120 0 40 FEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccc(C)cc1 147935696 KYKMDZOUTBGKRB-UHFFFAOYSA-N 359.499 2.140 0 40 FEAB COc1ccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1Cl 248095628 GODXAAXHEDCSHW-CYBMUJFWSA-N 362.861 2.379 0 40 FEAB O=C(COCC[C@H]1CCOC2(C1)CN(Cc1cccnc1)C2)N1CCCC1 247742081 OPXLGNHGCMFJHK-SFHVURJKSA-N 373.497 2.092 0 40 FEAB Cc1csc(C(=O)N2CC[C@H](O)[C@@H](N(C)C3CCOCC3)CC2)c1 257332999 XZPLHTAKRMFARF-HOTGVXAUSA-N 352.500 2.133 0 40 FEAB O=C1CCCN1C[C@@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 628141556 WHQLZPWHNDTYSD-NSHDSACASA-N 367.243 2.239 0 40 FEAB Cc1cc(CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)on1 64230495 YWEBCCOXLIYNIG-UHFFFAOYSA-N 355.398 2.173 0 40 FEAB O=C(O)CC1(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 656762546 FBHKBGLYPPRWOS-OAHLLOKOSA-N 352.456 2.148 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099053 GZOKSHFGHJLXHY-HKUYNNGSSA-N 353.422 2.024 0 40 FEAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106157 SVPVFJHBIZUGRV-UAGQMJEPSA-N 373.497 2.287 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1 43981013 WTWSRABJFANDOJ-AWEZNQCLSA-N 359.451 2.245 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccccc2Br)C1 40068840 ZUXJHRRMEUHZKM-RYUDHWBXSA-N 367.243 2.097 0 40 FEAB O=C(Nc1ccccc1F)N1CCCSC[C@@H]1CN1CCOCC1 90609213 NPHJAQARVBEAJQ-AWEZNQCLSA-N 353.463 2.497 0 40 FEAB Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)c1 5721932 ZCTUUXXPXUVAIW-MRXNPFEDSA-N 358.419 2.427 0 40 FEAB COc1cccc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2c2csnn2)c1 12163076 XBMCKDYYCBVTKB-DLBZAZTESA-N 372.494 2.352 0 40 FEAB COc1ccccc1CNC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O 14001027 KUFSNBJVKKIFMX-UHFFFAOYSA-N 362.389 2.203 0 40 FEAB COc1cc(C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)ccn1 19021008 BMGUXROSMQPEQT-INIZCTEOSA-N 374.466 2.276 0 40 FEAB COc1ccc(-c2csc(CCNC(=O)c3cc(=O)[nH]c(C)n3)n2)cc1 19240927 SJVPDSNARDMZPS-UHFFFAOYSA-N 370.434 2.183 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2N1CCCCC1 19583955 PTTDDYBFLZQIBB-BYICEURKSA-N 366.531 2.004 0 40 FEAB CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@]2(N3CCOCC3)CCC[C@H]12 12984565 SAUJWPGRQPADBG-APWZRJJASA-N 361.417 2.393 0 40 FEAB Cc1ncnc(N(C)CC2CCN(c3ccn4nccc4n3)CC2)c1F 1888890095 OWLMKLNISRROOY-UHFFFAOYSA-N 355.421 2.320 0 40 FEAB Cc1cc(N2CCN(Cc3ccccc3F)CC2)nc(N2CCOCC2)n1 1889119435 HDQWWDUGKBJZJT-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB CCOc1ccccc1-c1noc(CN2CCN(c3ncccn3)CC2)n1 14773425 XTEIGAGZABVPLR-UHFFFAOYSA-N 366.425 2.248 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2cnccn2)CC1 240104322 UPYDFGUGGLRLBM-SHTZXODSSA-N 355.394 2.254 0 40 FEAB O=C(c1cc[nH]n1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1565553978 IHHBLRPSQGNDMJ-UHFFFAOYSA-N 356.401 2.346 0 40 FEAB COc1cccc(OC)c1C(=O)OCCN1C(=O)c2ccccc2C1=O 2484265 QIGKMKGZBKWDME-UHFFFAOYSA-N 355.346 2.157 0 40 FEAB CC[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 4061363 HSCWKCQBUOUGNS-LBPRGKRZSA-N 371.466 2.434 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940812 HHKIKUBCWWOHTL-LBPRGKRZSA-N 374.418 2.175 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccoc2)CC1 2055750947 PYAFUTSXMSTGSU-UHFFFAOYSA-N 357.410 2.121 0 40 FEAB CC1CC(C(=O)N2CC[C@H]3OC[C@@H](C(=O)Nc4cccnc4)C[C@H]3C2)C1 2055729937 GDXIKOHLHQWHDB-PRBAEBOXSA-N 357.454 2.320 0 40 FEAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1 20488853 MVRYWXONBGDSPI-UHFFFAOYSA-N 355.781 2.291 0 40 FEAB O=C(N[C@H]1CCN(c2nccs2)C1)c1cncc(Br)c1 206813632 WMUVPEBPFMATGJ-NSHDSACASA-N 353.245 2.309 0 40 FEAB O=C(NCc1cccc(Cn2cncn2)c1)Nc1nnc(C2CC2)s1 40145462 NEQYKPZLWORIAL-UHFFFAOYSA-N 355.427 2.377 0 40 FEAB COc1cc(NC(=O)c2cc(Cl)ccn2)ccc1NS(C)(=O)=O 32818607 DQLREFNOGBLCFN-UHFFFAOYSA-N 355.803 2.367 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103280621 MLFORHTYVRSPIX-ICWLNENESA-N 369.465 2.395 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F 53677281 TXVZYUPZUIBMMO-UHFFFAOYSA-N 366.389 2.336 0 40 FEAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCCN(c2ncccn2)CC1 12409822 JJDNPIYJZHUTCG-KRWDZBQOSA-N 351.410 2.296 0 40 FEAB C[C@@H]1C[C@H](N2CCN(Cc3ccc(Br)s3)CC2)C(=O)O1 53907085 QQYSCXOTKFXHGX-PWSUYJOCSA-N 359.289 2.332 0 40 FEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 78952556 CJIJWYKCUNUQPM-OLZOCXBDSA-N 352.394 2.382 0 40 FEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 79092484 DIZLVJXQBSTYGE-ZYHUDNBSSA-N 372.874 2.030 0 40 FEAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1 3295737 CSVSQGIFAOAZNY-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 4141485 RJSUGZOZPBJUMJ-UHFFFAOYSA-N 368.426 2.117 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]cn3)c(Cl)cc12 6665252 CSKQMQCRGGJJPS-UHFFFAOYSA-N 361.785 2.216 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@H](NCc2ccccc2)C(=O)O)cc1 6857045 NJDPKMRDWVEPGR-KRWDZBQOSA-N 355.394 2.217 0 40 FEAB Cc1c(NC(=O)c2ccccc2C(=O)O)c(=O)n(-c2ccccc2)n1C 1086137 ATUXXANSRULJIN-UHFFFAOYSA-N 351.362 2.435 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 8324288 KGCNUISNMBQJKP-SNVBAGLBSA-N 374.871 2.027 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)cc1 12530436 PCFBDANZKMZHIN-AWEZNQCLSA-N 364.858 2.448 0 40 FEAB Cc1cc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)c2c(C)nn(C)c2n1 55348124 OASZFXIHVDEVHS-CQSZACIVSA-N 365.437 2.020 0 40 FEAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1 9939492 IXLZLXWOKSJALX-CVEARBPZSA-N 372.446 2.332 0 40 FEAB COCCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 29630679 VCHRHJCAWVGGGS-UHFFFAOYSA-N 369.343 2.326 0 40 FEAB CC(C)C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccs1 58266210 WQTHMRPIAFWDLX-ZIAGYGMSSA-N 358.529 2.070 0 40 FEAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1ccccc1 44900670 DUXMYHFJRWHSDV-UHFFFAOYSA-N 356.422 2.321 0 40 FEAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 10366647 MBWRMXKIABVINJ-UHFFFAOYSA-N 352.350 2.490 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)N3CCc4ccccc4C3)nc2n1 3356321 JATWKHIEERMVOZ-UHFFFAOYSA-N 353.451 2.418 0 40 FEAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN4CCC[C@H]4C3)c12 36616167 XBMRLBGQIULMKX-AWEZNQCLSA-N 365.437 2.457 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 57477435 HUWSKSIOKLLCKB-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1F 3484505 ICYGBBLPQCEZEH-UHFFFAOYSA-N 362.332 2.185 0 40 FEAB C[C@@H](CNC(=O)c1ccoc1)OC(=O)C1CCN(C(=O)c2ccoc2)CC1 95451346 WVZHIMMQCBUINX-ZDUSSCGKSA-N 374.393 2.087 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(N(C)c3cccnn3)CC2)cc1C 95462095 BPPOADADWCSFGN-UHFFFAOYSA-N 360.483 2.383 0 40 FEAB Cc1cc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n2ncnc2n1 96002412 ZZIHWRQHYUPYET-AWEZNQCLSA-N 364.388 2.257 0 40 FEAB CN(C)c1ccc(NC(=O)c2ccc(Br)o2)c(C(N)=O)c1 95454792 BNVMHQUEWQCMFT-UHFFFAOYSA-N 352.188 2.459 0 40 FEAB CCn1cc(CN2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)cn1 306130209 IZDYXIYXONRTNM-QGZVFWFLSA-N 356.474 2.095 0 40 FEAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2nnc3ccccn23)cc1 14188520 YKDFEBRQOSXASF-UHFFFAOYSA-N 365.437 2.073 0 40 FEAB COc1cc2oc(=O)c(CC(=O)N3CCC[C@@H]3CO)c(C)c2cc1Cl 6760464 OGDDXXWFAKBPDZ-LLVKDONJSA-N 365.813 2.289 0 40 FEAB CCN(CC)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 5794333 SBBZEYWBDJOYLC-UHFFFAOYSA-N 363.277 2.084 0 40 FEAB CCN(CC)C(=O)c1sc(NC(=O)CCC(=O)O)c(C(=O)OC)c1C 5952356 AYBASYHLUYEANK-UHFFFAOYSA-N 370.427 2.128 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)o1 7277036 XEWHYVCIOKMDQE-SFHVURJKSA-N 358.350 2.042 0 40 FEAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1F 7358771 ZAUNTUQSCFQLBI-UHFFFAOYSA-N 365.355 2.291 0 40 FEAB CCc1ccc2c(COC(=O)C[C@H]3C=CS(=O)(=O)C3)cc(=O)oc2c1 16418244 RKQLYIXVJDQMGG-CYBMUJFWSA-N 362.403 2.347 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCC1 8165702 REMDSAQLZIPRBA-UHFFFAOYSA-N 356.426 2.090 0 40 FEAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1S[C@@H](C)C(N)=O 8344732 XYDJMNLVSHYWTN-MNOVXSKESA-N 368.434 2.170 0 40 FEAB Cc1c(CC(=O)N(C)CCc2ccccn2)c(=O)oc2cc(O)ccc12 8765362 IZQFFEIFNXXJFG-UHFFFAOYSA-N 352.390 2.446 0 40 FEAB biogenic Cc1ccc2c(c1Br)[C@@]1(NC(=O)c3cccnc3N1)C(=O)N2 95965577 FQJMYRSLLWEZOX-OAHLLOKOSA-N 359.183 2.113 0 40 FEAB Cc1cccn2cc(COc3ccccc3C(=O)NCc3cn[nH]n3)nc12 72311719 HHWCXXXEMSOGKS-UHFFFAOYSA-N 362.393 2.270 0 40 FEAB Cc1cccc(OC[C@@H](O)CNC(=O)c2cc(-c3ccccn3)no2)c1 75092769 XARSESPHFBQDKZ-AWEZNQCLSA-N 353.378 2.215 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980030 GMHKQWTZHTYNJV-QGZVFWFLSA-N 354.406 2.187 0 40 FEAB Cc1ccnc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)n1 35314685 HZKMYNNLGDJKRJ-OAHLLOKOSA-N 354.410 2.047 0 40 FEAB COc1ccc(CCNC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1 32889501 YURAYTHHCVRGAC-IYBDPMFKSA-N 363.502 2.425 0 40 FEAB COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)cc1 72404353 JPQPSLAZFFAGMI-UHFFFAOYSA-N 363.373 2.336 0 40 FEAB CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@@](C)(C(=O)O)C1 71979433 XAJIJWKEEUMYKS-CQSZACIVSA-N 355.188 2.422 0 40 FEAB O=C(Nc1cccs1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170996 YMMPJABBEQJOQU-UHFFFAOYSA-N 355.423 2.386 0 40 FEAB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1OC 226263709 STWNVJSTYLYMHQ-UHFFFAOYSA-N 370.453 2.290 0 40 FEAB O=C(NC[C@@](O)(c1ccco1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 77099478 KEDKGHLLVDNOFT-KRWDZBQOSA-N 366.776 2.425 0 40 FEAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1cccc3cccnc13)CS2 85473762 OCSYCZPAJDUWEP-ZDUSSCGKSA-N 352.419 2.461 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)c1ccc(F)cc1 225880017 SOXSHTCBMBTZOE-UHFFFAOYSA-N 357.432 2.263 0 40 FEAB COC(=O)[C@@]12CC[C@@]34CCCN5C[C@@H](C(=O)C3)[C@]1(c1ccccc1N2)[C@H]54 1078028184 DQJVZFCMYXOSQZ-XPVMQVPNSA-N 352.434 2.109 0 40 FEAB biogenic CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96111071 XDBNDSNMQRUPEN-OTWHNJEPSA-N 355.438 2.345 0 40 FEAB CC(C)S(=O)(=O)N1CCc2cc(I)ccc21 256055045 YWXDCZAXWYFDQI-UHFFFAOYSA-N 351.209 2.392 0 40 FEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)c1cn(C)nc1C 257341073 ZISVMHSHTIBHEV-INIZCTEOSA-N 351.410 2.331 0 40 FEAB Cc1ccc(Nc2nccc(C3CCN(C(=O)CN(C)C)CC3)n2)nc1 257255099 KGCNLZCLWHELJS-UHFFFAOYSA-N 354.458 2.191 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccccc1OC 257323491 WKLBYMPAXXYBRF-XLIONFOSSA-N 373.497 2.207 0 40 FEAB C[C@@]1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1 257340959 ZIGMYAMIWOGIAT-NRFANRHFSA-N 374.481 2.381 0 40 FEAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc1C 257294010 QSBDAZHZMSVOLX-MRXNPFEDSA-N 358.486 2.278 0 40 FEAB Cc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)s1 257247080 IXIIZWRLSODLIB-IIDMSEBBSA-N 351.516 2.187 0 40 FEAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(COc3ccc(F)cc3)on2)[C@H]1O 257249034 JGKCKMXCDFMDRP-BRWVUGGUSA-N 364.373 2.003 0 40 FEAB Cn1cc(CN2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)c2ccccc21 257330876 XQJPPSATVPTGOX-ZDUSSCGKSA-N 358.467 2.294 0 40 FEAB CNc1cccc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257207146 BGNMKYQQEDSVJD-CQSZACIVSA-N 359.430 2.162 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)c1nnc2n1CCCC2 623774596 CUNUSUFRCVFRBX-CJNGLKHVSA-N 355.442 2.116 0 40 FEAB COc1cccc2c(N3CCC[C@@](O)(CC(=O)N(C)C)C3)c(C)cnc12 643718945 MOGJQMDUUJIESQ-HXUWFJFHSA-N 357.454 2.361 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1 680538690 OXQOXOPGCWVLSN-ZACQAIPSSA-N 355.456 2.090 0 40 FEAB COCCN1CC[C@]2(CN(Cc3ncccc3C)CC(F)(F)C2)C1=O 585093287 NJXBARNVNNWCEX-KRWDZBQOSA-N 353.413 2.096 0 40 FEAB C[C@@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)C1=CCCC1 585098440 YLCXELAAUQJYQD-GFCCVEGCSA-N 357.389 2.405 0 40 FEAB COc1cc2c(cc1OC)[C@H](NC(=O)CN1Cc3ccccc3C1=O)CC2 583652475 BMPIKGCZNKRZPB-QGZVFWFLSA-N 366.417 2.463 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)[C@H]2C1 585106198 BQPZBJBRTRYIPM-MOPGFXCFSA-N 369.509 2.448 0 40 FEAB O=S(=O)(C1CC1)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776000733 HPPXANMHVLSXDO-UHFFFAOYSA-N 351.472 2.327 0 40 FEAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccc(F)cc1Cl 55601834 JJXPZHRXXFVGNW-UHFFFAOYSA-N 353.766 2.256 0 40 FEAB CCNC(=O)NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 55853061 KHIXRRJXLWUSFK-UHFFFAOYSA-N 364.789 2.443 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC(C)(C)C)cc1 13688619 BQDQCDPAPAWZPS-UHFFFAOYSA-N 358.529 2.263 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1OC 15564272 XQTPPIMUWGWFIK-UHFFFAOYSA-N 356.350 2.134 0 40 FEAB O=c1cc(CCCN2CCOCC2)nc(NCc2ccc(Cl)cc2)[nH]1 19334732 KZCUVGHXIVNYOB-UHFFFAOYSA-N 362.861 2.300 0 40 FEAB O=C(CCc1ccccc1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19370856 RRSVBQXBYVEJPC-QGZVFWFLSA-N 350.466 2.461 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 5528477 JMIAZDVHNCCPDM-FTHPTINMSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro Cc1ccc(N2CCn3c2nnc(C(=O)N[C@H]2CCCC[C@H]2C)c3=O)cc1 12233741 OWELIXUELXKIQB-ZBFHGGJFSA-N 367.453 2.407 0 40 FEAB COc1ccc(S(=O)(=O)N2CC(Cn3cc(Cl)cn3)C2)cc1C 1848698001 CTASOWIUADSTQD-UHFFFAOYSA-N 355.847 2.174 0 40 FEAB c1ccc2nc(N3CCN(c4ccnc(N5CCCC5)n4)CC3)cnc2c1 1889186633 FHSHLYIVCQWFLN-UHFFFAOYSA-N 361.453 2.347 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)C3CC(C)C3)CC2)[C@@]2(CCNC2=O)C1 1614929375 YZASMVQNKJSREI-BPZDKFOGSA-N 361.530 2.119 0 40 FEAB CCc1ccc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cn1 1565546701 IMDKLFCEAXRDDE-UHFFFAOYSA-N 365.437 2.093 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(F)cccc3s2)CC1 13704962 DXRXPMZMTJQBAJ-UHFFFAOYSA-N 357.432 2.046 0 40 FEAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 40154419 XYEXYDMGCADAMF-GOEBONIOSA-N 370.540 2.096 0 40 FEAB CCOC(=O)N[C@@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)CC(C)C 32584727 FCZMHSXHCRDPEX-KWWJGWKXSA-N 359.426 2.048 0 40 FEAB COC(=O)c1cccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 21679090 XAERJRBTABLXML-UHFFFAOYSA-N 370.405 2.327 0 40 FEAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)C[C@@H](C)O1 22301123 ATPMZKMEISONEJ-PHIMTYICSA-N 372.454 2.276 0 40 FEAB Cc1ccccc1N1CCN(CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 633304 UAFQQJVDGPMBPO-IBGZPJMESA-N 370.497 2.324 0 40 FEAB O=C(CN1CCN(C(=O)NCCC2=CCCCC2)CC1)N1CCCCC1 53518313 WPPIASGYVVUORL-UHFFFAOYSA-N 362.518 2.217 0 40 FEAB Nc1nc(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)n[nH]1 2890746 HJANQXUVUDIBKS-UHFFFAOYSA-N 367.847 2.290 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)c(OC)c1 24091001 FTQXKYGAHFROJM-AZUGHTJHSA-N 362.426 2.189 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 4888608 UXWQRCRPKFUGOZ-UHFFFAOYSA-N 367.490 2.321 0 40 FEAB COc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 4981961 KSRRBWZPCMMZMR-UHFFFAOYSA-N 361.442 2.378 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1S(C)(=O)=O 24804994 CTETWIMJDKTJGV-UHFFFAOYSA-N 374.462 2.418 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C2=NO[C@H](c3ccccc3)C2)c1 55997818 CTOOIISUAYSKKD-KRWDZBQOSA-N 373.434 2.359 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)NC3CCN(c4ccccn4)CC3)cc12 48094940 AOJCMSBQCHOADQ-UHFFFAOYSA-N 365.441 2.462 0 40 FEAB C[C@]12CC3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)(C1)C[C@](C)(C3)C2 100796039 RHDGCNLBBCEGNE-FZBQFSLMSA-N 354.516 2.087 0 40 FEAB O=C([C@H]1CCCN1c1ncnc2sccc12)N1CCc2cncnc2C1 95396060 WPRHZECJUNOTET-OAHLLOKOSA-N 366.450 2.035 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1)n1cccn1 58246399 HARGOGOARZKQDA-YJBOKZPZSA-N 372.444 2.275 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 58297957 SOUJRWYSFQBJMK-OAHLLOKOSA-N 362.451 2.419 0 40 FEAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 101418224 VVAAFHKRFOZNTI-AWEZNQCLSA-N 351.424 2.001 0 40 FEAB CC(C)[C@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 58074150 UQUXIPRBCHEZCW-KRWDZBQOSA-N 372.469 2.259 0 40 FEAB Cc1cc(CN2CCN(CCC(=O)N3CCc4ccccc43)CC2)on1 28892679 IIWUJAYFKMOFHK-UHFFFAOYSA-N 354.454 2.080 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 11615689 KLFFBWHXLKKNQA-UHFFFAOYSA-N 370.456 2.429 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207596 KTDALTPMMIUERE-AWEZNQCLSA-N 356.488 2.319 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NCCNC(=O)Cc1ccccc1 62582610 LRTOELONNLYJRM-UHFFFAOYSA-N 352.434 2.029 0 40 FEAB Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1 3478115 DFVSCNMDHJSIFY-UHFFFAOYSA-N 353.451 2.422 0 40 FEAB CC1CCN(C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 13012805 SREHHZBRNGHJII-INIZCTEOSA-N 363.483 2.008 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc2onc(C)c12 71328781 SQXHEMMLVIATFA-OAHLLOKOSA-N 353.378 2.354 0 40 FEAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 13629541 HBUYVHDWUDHFLQ-HXUWFJFHSA-N 363.373 2.335 0 40 FEAB COCc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 5085941 PMSZNOFEYXBHCE-UHFFFAOYSA-N 370.405 2.330 0 40 FEAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1F 4370426 KPZFARKCGIZODA-UHFFFAOYSA-N 369.400 2.242 0 40 FEAB C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)NC(N)=O 14093673 GGZPVBUQVXWADY-TZMCWYRMSA-N 374.466 2.405 0 40 FEAB C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14139080 HZVDPIQLBZMDNK-TZMCWYRMSA-N 361.467 2.433 0 40 FEAB Cc1cc(I)ccc1NC(=O)CSc1ncn[nH]1 6404289 ACZSNEKNBYNJEX-UHFFFAOYSA-N 374.207 2.449 0 40 FEAB COc1cccc(C(=O)C[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1 9305617 BUJMYFNAKLWKRB-FQEVSTJZSA-N 352.390 2.276 0 40 FEAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)c1ccccc1 5586025 XYDUIXBWMNZEJN-ZDUSSCGKSA-N 361.419 2.298 0 40 FEAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5633582 OWLZCHMUFQIHES-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB Cc1ccccc1OCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 6810397 YHDIXRPKKIYGRH-HNNXBMFYSA-N 363.435 2.183 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F 15694119 WZORBXDXKZLPEO-SNVBAGLBSA-N 362.332 2.301 0 40 FEAB C[C@H](OC(=O)CCc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7455210 ZYHNPGADDGGOPQ-LBPRGKRZSA-N 358.369 2.428 0 40 FEAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1SCc1ccccc1 15824974 AWWUNMQXUOLFSC-UHFFFAOYSA-N 367.430 2.468 0 40 FEAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 71846912 ZMUIUMJFKSVECP-JNDILOIQSA-N 350.396 2.030 0 40 FEAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 7931072 SBGPRHOQTMPFHX-LLVKDONJSA-N 357.366 2.076 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(CN2CCCC2=O)c1 8157152 LSNHMFQSDLWTMS-UHFFFAOYSA-N 362.393 2.037 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c1C 9689808 IROOGIWOIKJDGC-UHFFFAOYSA-N 357.345 2.094 0 40 FEAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc2c1OCO2 96635058 PIVUSWABGNZAGS-UUILKARUSA-N 367.313 2.497 0 40 FEAB COc1cccc(CN(C)C(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)c1 84200417 BKDGQFGBXWHAAW-MRXNPFEDSA-N 364.442 2.290 0 40 FEAB C[C@@H](CCN1C(=O)c2ccccc2C1=O)N[C@@H](C)c1nnc2n1CCCC2 97162459 MXLJRKVHTYZNHD-KBPBESRZSA-N 367.453 2.340 0 40 FEAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccsc1 89967766 LLSLCJLTBKDMOH-ZBFHGGJFSA-N 361.515 2.410 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN1c1nccs1 75556357 LQKJYHIZCLRVAA-AWEZNQCLSA-N 354.439 2.009 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@H](CNC(=O)c3ccccc3)C2)cn1 306130063 IVMRQJGDKJIUON-LJQANCHMSA-N 364.453 2.086 0 40 FEAB COc1ccccc1NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 20760820 FVHTUJSJEGNUTA-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB biogenic Cc1cccc(CO[C@@H]2CN(Cc3cc(C)on3)Cc3ccnn3C2)n1 306128694 HILIGFUNBCKXIQ-LJQANCHMSA-N 353.426 2.484 0 40 FEAB O=C(C1CC1)N1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O 306123952 BBGLXMBEBGERTR-UHFFFAOYSA-N 360.479 2.474 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)cc2)ccc1OC 20104284 AVZVPQKKCIBFLF-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB CCCNC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 35312695 JRPVTYVHUDMNMX-LBPRGKRZSA-N 350.444 2.335 0 40 FEAB Cn1cc(C(=O)N2CC3(C[C@H](COCC4CC4)CCN3CC3CC3)C2)cn1 306144919 ZSENMVRAASBQJH-GOSISDBHSA-N 372.513 2.163 0 40 FEAB CC(C)(C)C(=O)Nc1nc(O)c2c(I)c[nH]c2n1 38543542 SKELVGFJANPXER-UHFFFAOYSA-N 360.155 2.253 0 40 FEAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1nc2ncccn2n1 36752476 JRHZHLSEOKYCOS-UHFFFAOYSA-N 371.813 2.472 0 40 FEAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nc2c(s1)CCCC2 72401384 INSNNSRZBINRBM-UHFFFAOYSA-N 370.434 2.385 0 40 FEAB COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1 75166104 PBYULXNXXIJLPI-UHFFFAOYSA-N 355.350 2.107 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCc1cnn(-c2ccccc2)c1 45750013 BSPXIUXPZGRASO-SFHVURJKSA-N 352.438 2.075 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223563909 LEDMFKNZNVBKGP-ZWKOTPCHSA-N 365.462 2.232 0 40 FEAB CN(c1ccccc1C(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 45901088 PNMCOVAYGMAPMQ-UHFFFAOYSA-N 366.414 2.030 0 40 FEAB CC[C@@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(C)cc1 222629213 DOGLQYNCLZNNSL-GFCCVEGCSA-N 354.457 2.235 0 40 FEAB CC(=O)NC(C)(C)c1noc(-c2cc(S(C)(=O)=O)cc(C)c2C)n1 136491301 UDCAQOCBPAZCOW-UHFFFAOYSA-N 351.428 2.128 0 40 FEAB COc1cccc(N(C)C(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c1 225880042 NDYWVLCPNCOMPT-UHFFFAOYSA-N 369.468 2.133 0 40 FEAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)c2ccncc2)n1 96056644 JVMUOYDSMNWHFO-ROUUACIJSA-N 350.422 2.191 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96073752 MEWUPKFFARRCPN-KUHUBIRLSA-N 358.417 2.435 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)NCc1cccs1 96206402 MJSDIJBAEXKPIY-BEFAXECRSA-N 357.479 2.298 0 40 FEAB O=C(c1cocn1)N1CC2(C[C@@H](CCOCc3ccncc3)CCO2)C1 247852413 JHEKTPSMURBKJS-HNNXBMFYSA-N 357.410 2.298 0 40 FEAB Cc1ccccc1CN1C[C@@H]2OC[C@H](CCOCC(=O)N3CCCC3)[C@@H]2C1 248158743 NMAXEMNBEUAQSZ-ACRUOGEOSA-N 372.509 2.471 0 40 FEAB N[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495562 GJRVVXVSWMWEFA-ARFHVFGLSA-N 355.818 2.109 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(-c2cncnc2)n1 257247748 JAHPIZNWMIGGIT-HNNXBMFYSA-N 362.389 2.451 0 40 FEAB COCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257284583 PDGGGBGDFJLMGX-QGZVFWFLSA-N 371.441 2.087 0 40 FEAB Cc1c(C(=O)NCc2cc(-c3cnccn3)nn2C)cnn1-c1ccccc1 253472164 JWMQNYBFKOZIMC-UHFFFAOYSA-N 373.420 2.301 0 40 FEAB CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)ncn1 257302013 SAZGSLDVMXYEIB-FQEVSTJZSA-N 353.470 2.466 0 40 FEAB Cc1noc(C)c1-c1nc(N2CC[C@@H](O)[C@@H](C)C2)ncc1-c1cnccn1 257320636 VXRLHJMDNYOEKT-MEDUHNTESA-N 366.425 2.413 0 40 FEAB CCN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@H](C)Cc1ccsc1 681761511 KVYSFQQIYDHQCI-LVIIFESRSA-N 363.483 2.296 0 40 FEAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575406676 ZQMFLFVGXYXAMX-OAHLLOKOSA-N 358.438 2.026 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cc(C)ccc3C)C2)OC1 585103909 DPEORISHPCHBNY-QGZVFWFLSA-N 366.527 2.224 0 40 FEAB Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c2c(C)noc2n1 11144875 GZTZDPYYQZSXRF-UHFFFAOYSA-N 360.395 2.463 0 40 FEAB COc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(OC)n1 11765034 QNMLYDDRYLICLE-UHFFFAOYSA-N 362.817 2.110 0 40 FEAB CCCn1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)c1C 12089268 QLUVGQYWIZSVRZ-HXUWFJFHSA-N 367.453 2.389 0 40 FEAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)Cc1nonc1C 12228813 OJZHXSBDQUIJDU-HNNXBMFYSA-N 358.423 2.486 0 40 FEAB COCC(=O)N1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 13225743 PLWFFMXMJFXPSJ-UHFFFAOYSA-N 356.348 2.409 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)Cn3cc(C)cn3)s2)cc1OC 19239965 FAINVEHLPWTPKZ-UHFFFAOYSA-N 373.438 2.290 0 40 FEAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1cc(F)ccc1F)CC2 19293050 BZIWTXJJZHHOPE-UHFFFAOYSA-N 369.375 2.106 0 40 FEAB OCC[C@H]1CN2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 19403959 PJFXLIOZGZBDSV-GJZGRUSLSA-N 360.483 2.252 0 40 FEAB O=S(=O)(CCC(F)(F)F)N[C@H](c1cccnc1)C1CCOCC1 225625711 YOHQKHNDLGYFJN-ZDUSSCGKSA-N 352.378 2.421 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CCc3c(cccc3C(=O)O)C2)NC1=O 621578196 COPOSYQAXUPJOV-NSHDSACASA-N 366.373 2.303 0 40 FEAB COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc2c(c1)OCO2 5473361 RWMMOYYYDPBVSB-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)OCO2 5864522 SKKOWCRMXYNCLB-UHFFFAOYSA-N 362.407 2.226 0 40 FEAB Cc1nc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 7140140 LLQGWJDKMFEEHE-ZDUSSCGKSA-N 371.528 2.010 0 40 FEAB CSc1nc(C)cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889109013 QFHUQPNGXCVJIE-ZDUSSCGKSA-N 352.529 2.299 0 40 FEAB CC(C)c1ncnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1F 1889116539 CMKDRPXXWMYEGY-HUUCEWRRSA-N 368.412 2.361 0 40 FEAB O=C(CCF)N1CC[C@]2(CCCc3sc(N4CCOCC4)nc32)C1 1614940679 IRHKJAZFJOGDOR-QGZVFWFLSA-N 353.463 2.146 0 40 FEAB Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@]1(C)CC=CCC1)CCC2 1565543402 PIQPHCZWFIRXFK-LJQANCHMSA-N 354.458 2.310 0 40 FEAB COc1ccccc1NCCN[C@H](CC(=O)Nc1cccc(C)c1)C(=O)O 5257691 XFANRKLBKHQOIO-QGZVFWFLSA-N 371.437 2.487 0 40 FEAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055747737 RSZIKBKTIORFLT-PJHKVULZSA-N 373.478 2.478 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055717905 DYFMVFZRPQSVQF-CYBMUJFWSA-N 372.494 2.496 0 40 FEAB COCCOc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 19593730 YHBFCZGJVZQSIN-HXUWFJFHSA-N 368.481 2.485 0 40 FEAB COC(=O)c1cc(OC)c(O)c(-c2cc(C(=O)OC)cc(OC)c2O)c1 29339189 DBUKZZKLTUXIQM-UHFFFAOYSA-N 362.334 2.355 0 40 FEAB CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)[C@H](c2ccccc2)C1 30029212 LAMPCIXWYRDSLQ-SFHVURJKSA-N 362.433 2.062 0 40 FEAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 40145005 QJOBBJPNAQJBRA-INIZCTEOSA-N 363.389 2.056 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 31599386 HBNWCIHJIPXEPQ-UHFFFAOYSA-N 350.484 2.109 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cnc3ccccc3c2)c1=O 21137377 FHBTXRIROXVXOP-UHFFFAOYSA-N 374.400 2.370 0 40 FEAB Cc1noc(C)c1COc1ccc(C(=O)NCCCS(C)(=O)=O)cc1 47696004 UAWPWWSVLOQZBR-UHFFFAOYSA-N 366.439 2.035 0 40 FEAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1 2687348 BERBNYIRLHAJHE-UHFFFAOYSA-N 364.409 2.368 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)n1 6593081 PRTWUGKMOQSOPV-UHFFFAOYSA-N 368.850 2.262 0 40 FEAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cs1 56090211 LIGRXASROHXCLZ-UHFFFAOYSA-N 351.453 2.205 0 40 FEAB Cc1cc(C)n(-c2ccc(CCNC(=O)CCCn3cncn3)cc2)n1 54794414 QDKOOMNSRRZHMP-UHFFFAOYSA-N 352.442 2.220 0 40 FEAB CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(OC(F)F)cc2)s1 102964766 VUVHIZISVHMTDY-RXAUVDRZSA-N 353.390 2.262 0 40 FEAB NCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 1295221 ULYWEZOJEYXQPA-UHFFFAOYSA-N 357.233 2.064 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 106164828 XNSQNNSIBAQRAN-IIDMSEBBSA-N 360.454 2.187 0 40 FEAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OC)c2)cn1 62062063 AOHINBQSJXLKGO-UHFFFAOYSA-N 356.426 2.191 0 40 FEAB Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 25139209 SLEOAYLIKODPCV-UHFFFAOYSA-N 371.437 2.259 0 40 FEAB COC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCC2 3245663 QSPCOJAQQQHJIP-UHFFFAOYSA-N 360.391 2.214 0 40 FEAB COc1cccc(NC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1 9616363 SDZNHSZPTGWJIF-UHFFFAOYSA-N 360.324 2.271 0 40 FEAB COc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cn1 25100407 SMOWZYSWKFPMFU-UHFFFAOYSA-N 361.320 2.440 0 40 FEAB CCOc1ccc(NC(=O)C[C@H](C)OC)cc1S(=O)(=O)N(CC)CC 58163443 CZAXWCWLFYYGFN-ZDUSSCGKSA-N 372.487 2.479 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccnc3)c2)c(C)c1 58209190 BFHFTLGSLAJPDO-UHFFFAOYSA-N 358.423 2.444 0 40 FEAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1Cl 10507959 LKBWJURERLLEQP-UHFFFAOYSA-N 370.221 2.436 0 40 FEAB O=C(OCc1cc(F)cc2c1OCOC2)[C@@H]1CCCN1c1ncccn1 28115801 KWAKSLMSRSBTBD-HNNXBMFYSA-N 359.357 2.194 0 40 FEAB COc1ccccc1CNC(=O)N1CCN(Cc2c(C)noc2C)CC1 36397093 XUCYGERCPOSUTK-UHFFFAOYSA-N 358.442 2.327 0 40 FEAB COc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1 100128194 KVGZUYFJZVMKIR-HUUCEWRRSA-N 356.426 2.475 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 11276695 IMHVRQKSQQCMHZ-RNODOKPDSA-N 367.405 2.415 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c(C)o1 108530136 VZVHCAJGPIPLNO-OALUTQOASA-N 355.438 2.407 0 40 FEAB C[C@H]1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCO1 11500398 TXHNRBJIXCDOEO-JTQLQIEISA-N 355.316 2.458 0 40 FEAB COC(=O)c1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1 25438893 FNZPULGSTOYXOE-UHFFFAOYSA-N 367.449 2.230 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2F)cc1 24418933 WCPKUUBREHAAMH-UHFFFAOYSA-N 367.398 2.312 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCCCC2)cc1 67896282 LIZKGMBCNOZVJL-IEBWSBKVSA-N 360.454 2.486 0 40 FEAB biogenic,in-vitro Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccc2nccnc2c1)C3 9157263 MWMBGWGKTNBCDN-UHFFFAOYSA-N 362.418 2.415 0 40 FEAB COC(=O)/C=C1/N=C(Nc2nc(C)cc(C)n2)N(c2cccc(C)c2)C1=O 9122147 BFIVCHGIBSGOQY-XNTDXEJSSA-N 365.393 2.273 0 40 FEAB CC[C@@H](OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C(=O)Nc1cc(C)on1 14022052 LOFUMOBCKLMCTH-LLVKDONJSA-N 363.370 2.289 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1 14050351 BAJJZBCBRRXYTI-CQSZACIVSA-N 367.810 2.127 0 40 FEAB CCc1ccc2nc(Nc3nc(C)c(C(=O)OC)c(=O)[nH]3)nc(C)c2c1 9303817 CGJJYPDJZGJEPY-UHFFFAOYSA-N 353.382 2.423 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 6563003 IRKZGAXXOIUTBU-UHFFFAOYSA-N 362.407 2.257 0 40 FEAB O=C(CSc1ccccn1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6830439 QVUMXVLEJOGQJR-CQSZACIVSA-N 354.497 2.132 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 7350891 BRLASWPFEQTFHK-LBPRGKRZSA-N 353.831 2.379 0 40 FEAB COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842592 SQJFOIGCJBIFSU-UHFFFAOYSA-N 374.418 2.322 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc2c(c1)OCO2 7912137 DSJSZBZTLJIVLB-UHFFFAOYSA-N 352.390 2.401 0 40 FEAB Cc1c(C(N)=O)sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 7994968 PTJSMUDCUSILGE-SECBINFHSA-N 374.397 2.204 0 40 FEAB COc1cc(NC(=O)CSCC(=O)N2CCCCC2)cc(OC)c1 7969763 ZRWBJWMAGOSCPH-UHFFFAOYSA-N 352.456 2.388 0 40 FEAB O=C(COC(=O)c1ccc(Br)cc1F)NC[C@@H]1CCCO1 8260932 CPJNVARHRQLLST-JTQLQIEISA-N 360.179 2.040 0 40 FEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cnn(C)c1 18012604 QMARIGFRUNNPEL-UHFFFAOYSA-N 356.304 2.029 0 40 FEAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)o1)S(C)(=O)=O 20449897 PXEYMYSDSWOVTG-MDZDMXLPSA-N 352.387 2.462 0 40 FEAB CCCCn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 9825487 VJIQPIFHCUNLGF-UHFFFAOYSA-N 353.378 2.135 0 40 FEAB Cc1nc(CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)no1 95959670 HSTXHDHMIMRJAO-ZDUSSCGKSA-N 354.414 2.307 0 40 FEAB COC(=O)CCN(C(=O)c1cccc(NC(=O)OC)c1)C1CCOCC1 72303824 UYRXPUBJDMTHBG-UHFFFAOYSA-N 364.398 2.049 0 40 FEAB O=C1[C@H](N2CCN(CCc3ccccc3)CC2)CCCN1C1CCOCC1 95999655 XPAUWDSHSXKQRM-OAQYLSRUSA-N 371.525 2.017 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1OC 408708167 VLORDRDWQPMTFJ-HNNXBMFYSA-N 370.449 2.282 0 40 FEAB O=C(CNC(=O)c1ccoc1)Nc1cccc(I)c1 31480811 FNCDPVKHOXRFGJ-UHFFFAOYSA-N 370.146 2.253 0 40 FEAB O=C(NCc1ccccc1Cl)[C@@H]1COCC(=O)N1Cc1ccccc1 70641342 PGFYZASMSMTPTQ-KRWDZBQOSA-N 358.825 2.384 0 40 FEAB CO[C@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@H](C)O4 13374244 NOAOQFJXKUUYHO-FFVOIRBGSA-N 372.373 2.332 0 40 FEAB biogenic COc1ccc2nnc(CCC(=O)Nc3cc(Cl)ccc3OC)n2n1 71284864 KXFLIPQBJDFRAX-UHFFFAOYSA-N 361.789 2.366 0 40 FEAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 30854921 LDHPLYNBTYRPMK-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB C[C@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@@]2(CCO[C@H](C)C2)O1 570918617 ISMMYHMJZSNXIS-SIFCLUCFSA-N 357.454 2.301 0 40 FEAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CCN2CCCCC2)CO1 40266780 HIIYNBWAHQUTOL-UHFFFAOYSA-N 362.499 2.377 0 40 FEAB CN(c1cccc(C(=O)NCCSC2CCCC2)c1)S(C)(=O)=O 225722215 WZNPJNUOVHKLPG-UHFFFAOYSA-N 356.513 2.488 0 40 FEAB O=C1CO[C@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccccc1 96051273 SZHZDERATCHMSG-NRFANRHFSA-N 370.424 2.460 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccoc1)C2)NCCc1ccccc1 96206634 LVIQOUKZHMAXCI-CTNGQTDRSA-N 354.450 2.477 0 40 FEAB O=C(C1CC1)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244235 MKLHCYRPXOQOEN-IBGZPJMESA-N 354.410 2.092 0 40 FEAB O=C1N(CC2CC2)c2ccccc2C12CCN(S(=O)(=O)C1CC1)CC2 96241396 ACRLQAJTMIQOFF-UHFFFAOYSA-N 360.479 2.269 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96229757 YPSGLSPUKNONKI-SFHVURJKSA-N 350.484 2.415 0 40 FEAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)Cc1cccs1 257264283 LTSDAWYZDRZXBE-INIZCTEOSA-N 358.467 2.389 0 40 FEAB CNc1cc(C)nc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)c1 257339922 ZDTCZZJHYYJJOI-CQSZACIVSA-N 350.426 2.193 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccc(OC)cc1 257318073 VMJZBJIHCSXWHT-QAPCUYQASA-N 372.425 2.003 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 257212517 CDUITSRZIKCFRH-QGZVFWFLSA-N 355.486 2.352 0 40 FEAB CC1CCN([C@H](C)CNC(=O)[C@H](C)N2C(=O)[C@H](C)Oc3ccccc32)CC1 253371427 BFTNPJQMTMGDSF-IKGGRYGDSA-N 373.497 2.426 0 40 FEAB Cc1c([C@@H]2[C@@H](CNC(=O)C3(C(F)F)CCCC3)CC(=O)N2C)cnn1C 1615592016 QLORJKBGZNAUDC-DOMZBBRYSA-N 368.428 2.190 0 40 FEAB Cc1ccccc1[C@H]1CN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CCO1 654638761 IPHWNMWHNJLWLL-JKSUJKDBSA-N 371.441 2.248 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)c1ccccc1N1CCC(=O)NC1=O 67965946 CJGZBEKVCSGRKS-ZDUSSCGKSA-N 352.394 2.151 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)C[C@]12C[C@@H](c1ccccc1)CO2 585293911 BICVLFASCJUMCW-ASJVDEDQSA-N 367.449 2.233 0 40 FEAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cc1 670438205 ZIEONDMLGNPJCN-CQSZACIVSA-N 353.382 2.289 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)nc1Cl 1309672078 ZUFSTOAYTZYNQA-AWEZNQCLSA-N 365.842 2.239 0 40 FEAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)S1 12686063 ZJWRGPPCISSOHW-CQSZACIVSA-N 365.455 2.372 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267457 LXJRMQGILGSJSL-INIZCTEOSA-N 367.449 2.106 0 40 FEAB CC[C@H](C(=O)NCCCOC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713653 MFRAMKZMBVSWJB-QGZVFWFLSA-N 370.515 2.471 0 40 FEAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 16089438 VWSNLTRQKCWWDI-UHFFFAOYSA-N 350.348 2.012 0 40 FEAB CCS(=O)(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 17316692 MCSFHTUSRGKDIS-UHFFFAOYSA-N 354.432 2.079 0 40 FEAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CC(C)(C)C)c3ncccc23)C1 19016496 SDYYYJBLFMJDCB-OAHLLOKOSA-N 371.485 2.320 0 40 FEAB O=C(N[C@@H]1CCN(CC(F)F)C1)N1Cc2cnn(-c3ccccc3)c2C1 668416462 XLMRDIIEUQQMLQ-CQSZACIVSA-N 361.396 2.237 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C)n3)cc2)C1 589291202 XOVZQKDMJGQEAW-ZDUSSCGKSA-N 362.455 2.093 0 40 FEAB COc1cccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1OC 6794184 XZSSAPCIALJNBG-ZDUSSCGKSA-N 350.396 2.408 0 40 FEAB Cc1ccc(-n2cnnc2SCc2nc(N)nc(N(C)C)n2)c(C)c1 10534832 BJJZYQSYAZUORF-UHFFFAOYSA-N 356.459 2.010 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4cc(C)nc5ccnn45)C[C@H]3C2)c1F 1888897587 HGIUANCFLZASQA-OKILXGFUSA-N 367.432 2.102 0 40 FEAB CCc1ncnc(N(C)CC2CCN(c3ncnc4[nH]cnc34)CC2)c1F 1888909445 AWBPUALSDDZWNC-UHFFFAOYSA-N 370.436 2.197 0 40 FEAB Cc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc(N(C)C)n1 1889096033 KSXUGUBEMBFKRY-UHFFFAOYSA-N 353.474 2.235 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(C[C@@H]4CCCO4)CC3)cnc2c1 1849465616 CPYYBANXTPVFNZ-KRWDZBQOSA-N 357.454 2.296 0 40 FEAB Cc1noc(C)c1Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O 21042470 DRIVKANGIWOJMT-UHFFFAOYSA-N 373.457 2.325 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)CCc3ccc[nH]3)C1)CC2 1565554211 UHGSTLUEKNUYJX-HXUWFJFHSA-N 354.454 2.068 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 5221919 YTYBPDDCPMIUNJ-OAHLLOKOSA-N 374.462 2.396 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(C)=O)CC3)cc1 8976878 YMVUZACGRGPDQF-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB O=C(NC[C@H](c1ccsc1)n1cccn1)[C@@H]1COc2ccccc2O1 575614508 VFZHAKYHHTVCQV-PBHICJAKSA-N 355.419 2.490 0 40 FEAB Cc1cnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)nc1 2298047597 HOEBRZOAYHEVNO-UHFFFAOYSA-N 354.458 2.491 0 40 FEAB O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(-c2ccn[nH]2)cc1 40115630 IZSRHHPXKLKIKG-UHFFFAOYSA-N 362.433 2.442 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)nc1 40122105 TYTDZXFQFWFDRR-NVXWUHKLSA-N 358.486 2.241 0 40 FEAB O=C1O[C@@H](c2c(O)[nH]c(=O)n(-c3ccccc3Cl)c2=O)c2ccccc21 101376237 YQYBXCYUMXUXFO-CQSZACIVSA-N 370.748 2.145 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2=O)cc1 101593117 PCOFFVXKZRABOG-DOTOQJQBSA-N 368.320 2.044 0 40 FEAB O=C(O)CCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101993531 TZIBNPSGYMRVPR-YDOWWZDFSA-N 370.405 2.416 0 40 FEAB COc1cc(N2CCN(C3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CC2)ccc1N 1857794641 GDSOTCABMWLRTH-GWMKHDQUSA-N 357.498 2.339 0 40 FEAB Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 12374364 OHVATCQMFHNEEB-UHFFFAOYSA-N 360.439 2.130 0 40 FEAB CCc1nnc(S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)O)o1 7508501 GTVWTBDHQKTWSZ-WQLSENKSSA-N 360.395 2.040 0 40 FEAB CC(C)CCn1c(N2CCc3ccccc3C2)nc2c1c(=O)[nH]c(=O)n2C 1256413 FRENVLYWQCRTRD-UHFFFAOYSA-N 367.453 2.032 0 40 FEAB CC(=O)O[C@@H](C(=O)Nc1ccccc1)[C@@H](C)S(=O)(=O)c1ccccc1 1277467 GPJGVXURDZKZNZ-CXAGYDPISA-N 361.419 2.419 0 40 FEAB O=C(c1ccc(-n2cnnn2)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 25528203 JWQMHHWHNLVSCR-UHFFFAOYSA-N 362.368 2.481 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1 58217459 WYHIIUDFUJRESE-UHFFFAOYSA-N 373.428 2.238 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c2oc1=O 2146312 DRNIMTGBZBIVJQ-INIZCTEOSA-N 361.394 2.322 0 40 FEAB biogenic CN1CCN(CCCN(C)C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 72308465 LKMXHFAHFIXCAW-GOSISDBHSA-N 373.463 2.482 0 40 FEAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)cc1 20153653 ZUBQGAWDASOAAJ-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB COC(=O)c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 36396322 UIJGIGJADPRFNO-UHFFFAOYSA-N 364.449 2.439 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 26991357 WVOSGMMLLMNESX-OFQRWUPVSA-N 350.484 2.174 0 40 FEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497772 ZQOUNTKAQZRKOM-KRWDZBQOSA-N 357.362 2.407 0 40 FEAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3cccs3)cc21 20178449 OATLSPBSRYFIBX-UHFFFAOYSA-N 372.450 2.027 0 40 FEAB COCCn1cnnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 3428874 IDNRTTXOIVFZCR-UHFFFAOYSA-N 356.835 2.317 0 40 FEAB Cc1nc(CN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)no1 114450172 CDYGMZFFIQWVDB-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCN1CCc2ccccc2C1 37170965 YWPRDCZPCGPPJL-FOIQADDNSA-N 352.434 2.389 0 40 FEAB O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1occc1-c1ccccc1 83014192 MBZTUWQGCFZZOY-KRWDZBQOSA-N 354.406 2.456 0 40 FEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)Nc1ccccc1F 5326982 DSWSZPMJGZTBBT-UHFFFAOYSA-N 374.763 2.481 0 40 FEAB C[C@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N1CCOCC1 14159529 DZYCEDWUGHQUMM-ZWNMCFTASA-N 350.469 2.376 0 40 FEAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598385 ZRNFYCIPODZPBF-GOSISDBHSA-N 360.479 2.493 0 40 FEAB COc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1N1CCCCC1 6994186 QXUXLQCLSBAUDQ-LBPRGKRZSA-N 361.471 2.232 0 40 FEAB NC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2O1 7735820 KGOBZJZUVBCPSH-LJQANCHMSA-N 350.418 2.387 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7805438 MXMRQMZETMFUKS-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB CC(=O)N[C@H](CC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 84752810 XTWNGZCESBNMAG-IEBWSBKVSA-N 365.433 2.176 0 40 FEAB O=S(=O)(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(F)cc1 17076533 FKIFGLVBXGYXBF-UHFFFAOYSA-N 373.862 2.337 0 40 FEAB Cc1cc(N)nc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)n1 95465688 XWHZCDNBDZSCMT-LLVKDONJSA-N 357.468 2.287 0 40 FEAB COc1cncc(CCC(=O)N2CCC(c3nnc4ccccn34)CC2)c1 95469038 XGTGKDFUODQJFJ-UHFFFAOYSA-N 365.437 2.472 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)cccc2c1 97012925 WEKPLSXJJDTBIN-INIZCTEOSA-N 372.450 2.039 0 40 FEAB COc1ccc(C(=O)Cc2nc3c(OC)ccc(OC)c3[nH]c2=O)cc1 5349419 VDDWDJXKPODSMN-UHFFFAOYSA-N 354.362 2.374 0 40 FEAB c1cnc(OC[C@@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn32)nc1 306127978 GMTLPYBXTHGLRR-INIZCTEOSA-N 365.393 2.038 0 40 FEAB O=C(NCc1cnn2ccccc12)N1CCN(CCc2ccccc2)CC1 553917227 PCDWJOZWOVKLLA-UHFFFAOYSA-N 363.465 2.404 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 32957462 YRVGLJLAGQLFDY-UHFFFAOYSA-N 358.394 2.243 0 40 FEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217534746 DLFFVNIAXIOIPX-NWDGAFQWSA-N 358.460 2.299 0 40 FEAB CC(C)[C@@H]1CN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 537608267 QIENWUHQTSGUFX-MSOLQXFVSA-N 359.470 2.102 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1CC(C)(C)CN1CCOCC1 72336960 NVFWKHDXSYVDRY-FUHWJXTLSA-N 369.513 2.458 0 40 FEAB O=C1Cc2ccc(CC(=O)N3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)cc2N1 183873266 ZPBCXBWBCPGOBT-KBXCAEBGSA-N 372.371 2.336 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCC2)c(Cl)c1 30848334 AOEGSQFMLRLGKH-UHFFFAOYSA-N 373.906 2.317 0 40 FEAB O=C(NC[C@H]1COCCO1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 570350661 SERLACOKHISDHH-IBGZPJMESA-N 373.497 2.100 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)ccc21 192728028 FSIHIGACXUUDBL-UHFFFAOYSA-N 365.436 2.268 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1F 225603107 HCWUVDHJNNRJAG-UHFFFAOYSA-N 372.443 2.331 0 40 FEAB CO[C@@](C)(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1F 96123613 CYHZKCZLMIJDKF-INIZCTEOSA-N 355.435 2.016 0 40 FEAB Fc1ccccc1OC[C@H]1CO[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@@H]21 96218557 YEZZKSNBAWONJB-YWPYICTPSA-N 355.373 2.022 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1=CCCCC1)C2 96039589 LENVXRIJQVSSEP-AZUAARDMSA-N 350.503 2.463 0 40 FEAB COc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cc1 247917521 NFASBWOVIKAUHR-INIZCTEOSA-N 367.467 2.044 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)CN(CC1CCOCC1)C2 248052447 RQIGWPADNBPRPL-INIZCTEOSA-N 374.510 2.124 0 40 FEAB Cc1cccc(COC[C@H]2CCOC23CN(C(=O)c2cc(C)on2)C3)n1 247870973 LALHICBAEAATAD-OAHLLOKOSA-N 357.410 2.134 0 40 FEAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)c1 248111915 HOHJDAUGNRCTOI-SFHVURJKSA-N 368.481 2.140 0 40 FEAB Cn1cnc(CN2CCC[C@H](c3nccnc3Nc3cnccn3)C2)c1 257219376 DGOJHEPDXVMCLA-AWEZNQCLSA-N 350.430 2.123 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)Nc3cnn(Cc4ccccn4)c3)C2)n1 607721311 MNSFRYILZUQMSS-AWEZNQCLSA-N 367.413 2.429 0 40 FEAB CC[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)CCO1 665171456 XTQFGGMUBUEMBV-YFHUEUNASA-N 362.474 2.380 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1 679915288 STHFGCLMBBTAMM-AWEZNQCLSA-N 374.462 2.408 0 40 FEAB COc1ccc(CC(=O)N2CCc3c(ncn3C)C23CCOCC3)c(F)c1 1615588787 HPLBXDRWFUTAIK-UHFFFAOYSA-N 373.428 2.201 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@](CO)(Cc2ccccc2F)C1 585278551 UMOVNDSXWMGLPR-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB CCC(CC)NC[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O 585284459 LCWOTRKOGKMMKD-FUHWJXTLSA-N 354.878 2.056 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CC(=O)N(C)C)C[C@H]23)o1 585109702 JEJSEJAOTXLHNJ-ABSDTBQOSA-N 367.449 2.176 0 40 FEAB CC(C)S(=O)(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1776001274 JBGPLIDDVCOYQO-UHFFFAOYSA-N 364.446 2.143 0 40 FEAB C[C@H](CO)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 97020697 VJWLYEPRHPZGAS-ZCFIWIBFSA-N 362.167 2.127 0 40 FEAB O=C(Nc1ccccc1F)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188835 ZLIXRQXNDWTTLW-NSHDSACASA-N 363.414 2.123 0 40 FEAB O=C(c1cscn1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585581965 JYVFGJDFIBHXGO-UHFFFAOYSA-N 354.439 2.478 0 40 FEAB CCn1c(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cccnc21 12117595 YKZKSIXJSZPOSK-UHFFFAOYSA-N 354.454 2.303 0 40 FEAB Cc1ccc(=O)n(CC(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 12229538 JGQUBRMIRPMLNT-MRXNPFEDSA-N 368.462 2.417 0 40 FEAB CCN(CC)CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12274897 ZTGVPPBLXLFNQW-UHFFFAOYSA-N 368.481 2.382 0 40 FEAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)c4ccccc4C)C3)c2n1 12337292 SOAARYUIGKIYMH-AWEZNQCLSA-N 366.425 2.096 0 40 FEAB CCOc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nn1 12440288 HOHFJAKEDOZPIQ-UHFFFAOYSA-N 360.845 2.420 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12647705 UUKSFGLPZRKMKQ-GFCCVEGCSA-N 371.416 2.234 0 40 FEAB Cc1ccnc2nc(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)nn12 12820382 OJIZPOULCFQUPG-INIZCTEOSA-N 367.409 2.331 0 40 FEAB COCCN(CCOC)c1nc(C)nc2c1CCN(Cc1ccccc1)C2 19286155 YFTYSUHSTSSSGS-UHFFFAOYSA-N 370.497 2.443 0 40 FEAB CNc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CCN(C(C)=O)C2 19707308 HRJWQSJIFKLAPT-KRWDZBQOSA-N 371.485 2.277 0 40 FEAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)CC3)C1 19709471 LHYYFQUKGLASMQ-KRWDZBQOSA-N 359.518 2.442 0 40 FEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 169298161 UMRYQUBZRNBMRO-ISUXXVKOSA-N 366.461 2.367 0 40 FEAB CCNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 29633991 SFDJMODBMCGMIH-UHFFFAOYSA-N 350.772 2.012 0 40 FEAB CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 22683127 JZBQOEAKNHFYIH-QZTJIDSGSA-N 356.397 2.326 0 40 FEAB Cc1ccnn1CCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913049 MVDRZDLVRMBMBA-LJQANCHMSA-N 361.417 2.153 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565542692 VUQGVWOTTGYTEV-QFBILLFUSA-N 356.447 2.215 0 40 FEAB Cc1ccccc1Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 8848978 GANPMNRTZZHSJD-UHFFFAOYSA-N 352.369 2.053 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccccn2)C1 2055746456 HYCLIGLEDQRXBH-HXUWFJFHSA-N 372.444 2.040 0 40 FEAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cc(C3CC3)on1)C2 2055773130 ZSPTVVOMRFCZDI-OAHLLOKOSA-N 356.426 2.452 0 40 FEAB Cc1nnc2ccc(N3CCN(c4cc(-c5ccccc5)ncn4)CC3)nn12 1775973590 ORHUDJYZIXWIOR-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB Cn1nc(-c2ccncc2)cc1CNC(=O)c1ccc2nsnc2c1 1775966452 FOSIBGTWVLBCOV-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 100173545 RFMPETSDZRKPCC-OGNFBWPZSA-N 365.470 2.317 0 40 FEAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1nc(-c2cccnc2)cs1 575620293 PNPXXTRJXWHKCO-UHFFFAOYSA-N 353.407 2.278 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2C)n1 40106331 CKSKHUQPGZPLAS-CHWSQXEVSA-N 357.476 2.022 0 40 FEAB CCn1cnnc1SCc1cc(=O)[nH]c2sc(C(=O)O)c(C)c12 32874011 XNGAZMGHNAPQEF-UHFFFAOYSA-N 350.425 2.500 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C(C)=O)cn1C 32823608 XXXOXIYIYNVMID-UHFFFAOYSA-N 360.366 2.284 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c1 8968991 BQJISUIYTQHAEA-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)cc1 22934121 IJIDWNRRTFQIHC-UHFFFAOYSA-N 372.513 2.000 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 807168 BBJOZBMXEXYNNI-UHFFFAOYSA-N 366.439 2.052 0 40 FEAB Cc1ccc(C(=O)CCC(=O)N2CCN(C[C@H]3CCCO3)CC2)s1 23641031 IDSVYGKSBDMTBA-OAHLLOKOSA-N 350.484 2.343 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1nnc2ccccn12 23644909 KWDCDZSZQJPPSO-KRWDZBQOSA-N 361.405 2.310 0 40 FEAB Cc1c(CC(=O)NCCCO)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4090077 BEOQTSQTCBUXJP-UHFFFAOYSA-N 359.422 2.246 0 40 FEAB biogenic COc1ccc(C(=O)NC2CCN(CC(=O)NC3CCCCC3)CC2)cc1 4909312 RRWWCXXTUZNZMF-UHFFFAOYSA-N 373.497 2.338 0 40 FEAB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1Cl 6101181 RIRLBDAGZRLKJG-UHFFFAOYSA-N 364.810 2.122 0 40 FEAB COc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1Cl 10328796 JJNQKTHFRQQSCT-UHFFFAOYSA-N 360.863 2.173 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC 8239107 LLOPLOQVIUFZFQ-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1OC 8508708 JXFYDVPZBUASFI-UHFFFAOYSA-N 351.424 2.370 0 40 FEAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 8762745 UFILWUZEROAZIQ-ZDUSSCGKSA-N 365.437 2.477 0 40 FEAB CN1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(C(C)(C)C)cc1)C2=O 8939808 PYSKQIVPXMCSAA-UHFFFAOYSA-N 372.513 2.390 0 40 FEAB O=C(NCc1ccccc1OC(F)F)[C@@H](Cc1ccccc1)n1cnnn1 26714150 DRIBOUGCODINRC-OAHLLOKOSA-N 373.363 2.375 0 40 FEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCNC(=O)c1cccnc1 58004763 GMWGRRBSFOBFMP-KBAYOESNSA-N 361.486 2.405 0 40 FEAB CCNC(=O)NC(=O)CN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 58172077 ZJGXYMYHAHXSJQ-UHFFFAOYSA-N 358.442 2.202 0 40 FEAB CCN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccccc1C 58163481 FQNGINFCZQKTPV-UHFFFAOYSA-N 371.466 2.401 0 40 FEAB CC1CCN([C@@H](C)CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 58170919 YINUSISLSHQFCK-HNNXBMFYSA-N 372.444 2.222 0 40 FEAB Cc1cc(NC(=O)CNC(=O)Nc2cn[nH]c2)ccc1Br 58209039 RDPJWPBLJRYENH-UHFFFAOYSA-N 352.192 2.241 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(Oc2ncccn2)c1 48324719 ZDXIAAARWKWKRH-CYBMUJFWSA-N 355.398 2.401 0 40 FEAB COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCCC4 2221531 DWSDHKVSJJQJEY-UHFFFAOYSA-N 359.455 2.293 0 40 FEAB O=C(Nc1ccc2c(c1)C(=O)OC2)c1coc(=O)c(Br)c1 2255933 PNWBTDFNAANJQX-UHFFFAOYSA-N 350.124 2.325 0 40 FEAB CC(C)(C)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1 55975119 AMQIVBKQLCKDRK-UHFFFAOYSA-N 358.423 2.460 0 40 FEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1F 28512596 BQTVFAHKWVJDJT-LLVKDONJSA-N 360.341 2.193 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1cnc2ccsc2c1=O 12884428 WNPVHALCBIMECZ-UHFFFAOYSA-N 372.406 2.064 0 40 FEAB Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=O)C2=O)c1 102941337 VOJIXMPUEWRUGI-UHFFFAOYSA-N 362.341 2.240 0 40 FEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 46429663 MQPDEWNIXNOUDT-SFHVURJKSA-N 372.465 2.259 0 40 FEAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 20152480 JCQMXPNHOAIZJI-UHFFFAOYSA-N 358.375 2.169 0 40 FEAB O=C(NC[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCCN(c2cnccn2)C1 46689706 VXYYOMJRISSZNG-GDBMZVCRSA-N 360.845 2.196 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 12932928 XVQZFDKUADAPJG-LJQANCHMSA-N 367.449 2.272 0 40 FEAB CCc1c(C)sc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1C(=O)OC 13320176 JHNSFEBUHGNGSR-GHMZBOCLSA-N 354.472 2.453 0 40 FEAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCC(N)=O 409015749 FATHMVAHRCMKLL-NTUHNPAUSA-N 350.396 2.004 0 40 FEAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nccs2)cc1 5033970 JIKPWWYQXLPTJF-SECBINFHSA-N 362.440 2.247 0 40 FEAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349577 ISPSADXAEWNFEC-GOEBONIOSA-N 358.438 2.500 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3cc(F)ccc3C)n2)cc1OC 14109486 NUWMOXVIVNPZAV-UHFFFAOYSA-N 371.372 2.444 0 40 FEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)n1 5530800 PXHLWYQHIOQFOP-UHFFFAOYSA-N 373.390 2.135 0 40 FEAB COc1ccc(NC(C)=O)cc1N[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 6831725 XAJBMAQEHQRSRI-QGZVFWFLSA-N 367.405 2.393 0 40 FEAB CNc1nnc(SCC(=O)Nc2cc(C(=O)OC)ccc2C)s1 7101951 FJYPWTNCCUBOHK-UHFFFAOYSA-N 352.441 2.406 0 40 FEAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 7216463 OYBQEFVWLDEHKS-HNNXBMFYSA-N 359.513 2.118 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842588 HGXKGBACGVXYCX-UHFFFAOYSA-N 374.418 2.404 0 40 FEAB Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1S(N)(=O)=O 15817270 YEMXTEPSYUCDQO-CQSZACIVSA-N 366.826 2.238 0 40 FEAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(Br)cc2F)C1=O 7735550 SRWGPBYHRMEPIU-UHFFFAOYSA-N 372.194 2.247 0 40 FEAB Cc1csc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)n1 61717609 UEMDYYUPCUQVKQ-AWEZNQCLSA-N 373.482 2.310 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccccc2O)CC1 16481454 DNHVHCKJXNFBSP-INIZCTEOSA-N 351.450 2.492 0 40 FEAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)NCCCc1ccccc1 9484583 QZSBJOABSKNEBN-KRWDZBQOSA-N 369.421 2.434 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCSc2ccccc21 8230687 SWCKHMIDVPLSID-ZDUSSCGKSA-N 359.451 2.204 0 40 FEAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 28011729 PWQLOIXXBGKKFZ-CQSZACIVSA-N 351.406 2.428 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cccc(F)c2)cc1 18080698 BCNSQBNEUHXFOU-UHFFFAOYSA-N 364.442 2.325 0 40 FEAB C[S@@](=O)CCNC(=O)c1c(-n2cccc2)sc2c1CCSC2 83990129 YQLFHXUSZIMTCB-QFIPXVFZSA-N 354.522 2.436 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)c2ccn(-c3ccccc3F)n2)cc1 96998291 RAIOQHPBKBVZLN-UHFFFAOYSA-N 373.409 2.345 0 40 FEAB CC(C)[C@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCC1 97088882 ZFSHKMNTNIGEOJ-AWEZNQCLSA-N 364.475 2.275 0 40 FEAB CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)NCC(=O)N1CCCC1 75092480 ICJNCPZSQXLUSX-UHFFFAOYSA-N 355.479 2.055 0 40 FEAB O=C(Nc1nncs1)C1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 89794166 YQOYYPIQBCDBQT-UHFFFAOYSA-N 371.466 2.303 0 40 FEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C[C@H](C)O[C@H](C)C2)c1 20962891 PLUSFJMDSFBZIR-RVKKMQEKSA-N 362.470 2.477 0 40 FEAB O=C(c1cncc(Br)c1)N1CCCN([C@H]2CCSC2)CC1 1565522178 UVJXUDHDOFTOLG-AWEZNQCLSA-N 370.316 2.498 0 40 FEAB CC(C)c1noc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 65944792 IEUPFTAXZPZXKK-UHFFFAOYSA-N 356.352 2.324 0 40 FEAB COCC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 72360284 CNOHGOSDFBGTLZ-HNNXBMFYSA-N 370.457 2.288 0 40 FEAB Nn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(O)cc1 409197781 OTCNFVPWGBZQON-UHFFFAOYSA-N 356.407 2.252 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCC1=CCCCC1 72406076 WQGNEMOPMAILRJ-MRXNPFEDSA-N 365.499 2.480 0 40 FEAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccs2)CC3)C[C@@H](C)O1 72335450 MSYXQYXYEJABPD-CHWSQXEVSA-N 360.483 2.416 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327609 SHIDHQNHTZUCRD-XOBRGWDASA-N 358.438 2.316 0 40 FEAB COCCN(C(C)=O)c1nc(C)c(C(=O)N=c2[nH]c3ccccc3[nH]2)s1 44921230 VHKQKJXAGRLVPB-UHFFFAOYSA-N 373.438 2.001 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)CC1(CN)CC1 570443831 FKEZZVACQMAONC-CYBMUJFWSA-N 374.407 2.091 0 40 FEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H](c1ccccc1)n1cnnn1 80332362 GXJIOVUXBOJBSR-OAHLLOKOSA-N 363.406 2.420 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)NCC2([S@@](C)=O)CCC2)s[nH]1 573641213 FFPAHXNKZCFBEI-HSZRJFAPSA-N 370.525 2.420 0 40 FEAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)o1 96206409 GMVHFGMLFDBQTG-XLIONFOSSA-N 355.438 2.138 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCCC1)CN(C(=O)c1cnccn1)C2 96044956 OGAPRWWKQNBOGM-HNNXBMFYSA-N 355.442 2.157 0 40 FEAB c1csc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)n1 96062425 UMYWWYKIOJTAKX-INIZCTEOSA-N 350.513 2.324 0 40 FEAB COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)c1ccoc1 96044545 CSXQIYGVPZKVPN-KRWDZBQOSA-N 359.426 2.289 0 40 FEAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(CCOc1ccc(Cl)cc1)C2 248035269 MMTLUMPFLUGFFY-MRXNPFEDSA-N 374.872 2.284 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 247805322 ANORTFLMSJOWBP-KRWDZBQOSA-N 367.449 2.496 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257222009 DRNGWKFTCHUHRK-UYAOXDASSA-N 357.454 2.390 0 40 FEAB O=C(CNC(=O)c1cccnc1O[C@@H]1CCSC1)OCc1ccccc1 252494327 NSCKNMCSTFMNSD-OAHLLOKOSA-N 372.446 2.439 0 40 FEAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)n1 257213147 CGIRQZGKWITBOJ-HNNXBMFYSA-N 354.458 2.126 0 40 FEAB O=C([C@@H](c1ccccc1)S(=O)(=O)[C@H]1CCCOC1)N1CCCCC1 272466967 YRWAQAKBDPVGTP-DLBZAZTESA-N 351.468 2.334 0 40 FEAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 623268101 FMMAMXDAUAYLID-IFXJQAMLSA-N 371.481 2.291 0 40 FEAB COc1cc(C(=O)N2CCc3ccccc3[C@H]2CO)cc2c1OCCO2 677647607 OIUIPDWYNRYYSV-MRXNPFEDSA-N 355.390 2.198 0 40 FEAB CC(C)CCN1C(=O)c2ccc(-c3nc(O)c4nc[nH]c4n3)cc2C1=O 1772715176 PTUUXOSRBCNYSW-UHFFFAOYSA-N 351.366 2.368 0 40 FEAB O=C(c1ccnc(F)c1)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 585108237 AVBDMWYRUOXKDA-KBAYOESNSA-N 371.412 2.452 0 40 FEAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c(F)c1 585104987 XJMIXCYWAFOPFM-LJQANCHMSA-N 350.434 2.294 0 40 FEAB Cc1nn(C)c2c1N(C(=O)[C@@H](C)n1ccc3ccccc3c1=O)CCO2 631764269 RUJKVRCWWPLXEM-CYBMUJFWSA-N 352.394 2.030 0 40 FEAB CCC(CC)NC(=O)[C@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 98065767 DXOONGZPWJIZIG-HNNXBMFYSA-N 365.499 2.445 0 40 FEAB O=C(CCc1ccco1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615117246 AZNOFQWLNUMYPY-HXUWFJFHSA-N 354.406 2.247 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O 12648501 ZPDUEFCWDPJFBV-ZIAGYGMSSA-N 364.398 2.233 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(O)c2)N1CCO 5343656 VZQGXXUAZYPCHX-GOSISDBHSA-N 351.362 2.025 0 40 FEAB Cc1cc(-c2snnc2C2CCN(Cc3cnc(N)nc3)CC2)on1 12224013 YVUYFRJJRISGJL-UHFFFAOYSA-N 357.443 2.253 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cn1 12225360 RANSWIIHHKCAGS-UHFFFAOYSA-N 351.406 2.187 0 40 FEAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 12231206 SXOPPAXEBRGDEX-MLGOLLRUSA-N 352.438 2.426 0 40 FEAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2o1 12536367 PWKDAZYFPCMNTJ-JTQLQIEISA-N 374.422 2.223 0 40 FEAB Cc1nc2ncc3c(=O)n(CCc4cn(C)c5ccccc45)ccc3n2n1 13638754 SSJKNACYGDPGQI-UHFFFAOYSA-N 358.405 2.482 0 40 FEAB COc1ccc(C(=O)N2CCC(O)(c3cccnc3F)CC2)cc1OC 19559815 PONOHFWWBYXSLJ-UHFFFAOYSA-N 360.385 2.362 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@@H](c2ccncc2)c2cccs2)c(=O)n1 19572381 XVEVEMRXRIUBER-KRWDZBQOSA-N 354.435 2.222 0 40 FEAB C[C@@H](c1cc(=O)[nH]c(NCc2ccccn2)n1)n1ncc2ccccc2c1=O 19717512 IYHQWRBNVXXJLY-ZDUSSCGKSA-N 374.404 2.096 0 40 FEAB CC(C)CC(=O)N1CCC2(CCCCCn3cc(nn3)CNC2=O)CC1 643589707 YCVSYTUQOFWVTF-UHFFFAOYSA-N 361.490 2.123 0 40 FEAB CC[C@@H](Sc1ncnc2c1nnn2-c1ccc(OC)cc1)C(=O)OC 4166792 HCWNHTMVKXFNDO-GFCCVEGCSA-N 359.411 2.263 0 40 FEAB CCN(CC)C(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479285 RIZNACZZXMBVSJ-UHFFFAOYSA-N 353.426 2.067 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccccc3)c2C)n1 16849656 UJWWDNYKVVXKCL-UHFFFAOYSA-N 365.437 2.130 0 40 FEAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)c1 2055745617 OBQCGSYAFQCFAT-OAHLLOKOSA-N 368.437 2.338 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccc(F)cc2)C1 2055747259 QJLDCWDRYOAKPX-HXUWFJFHSA-N 373.403 2.337 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)cn1 206703310 KGHBTOPGJSIDGD-IBGZPJMESA-N 371.462 2.273 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(Cc2ccc(Br)cc2)CC1 549404384 PSWDOXLEMAIMPQ-UHFFFAOYSA-N 373.316 2.449 0 40 FEAB COc1ccccc1C1(C(=O)NCC2CCN(C(=O)N(C)C)CC2)CC1 390830361 KNZXMMCJQKKZHI-UHFFFAOYSA-N 359.470 2.237 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@H]1C[C@H]3CC[C@H]1C3)NC(=O)CO2 103545337 MFCNMKJOPZSIQM-RWMBFGLXSA-N 350.440 2.040 0 40 FEAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc(OC)c1OC 40156245 QHQFHXIRMBWQRG-GFCCVEGCSA-N 361.398 2.424 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nc(C)cs1 40309610 FFYRPXFITVLXRG-GOSISDBHSA-N 370.434 2.389 0 40 FEAB biogenic Cc1nn(CC(=O)NC[C@@H](c2cccs2)N(C)C)c(=O)c2ccccc12 21302499 HCFHTDMOZXLVKU-INIZCTEOSA-N 370.478 2.186 0 40 FEAB COCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 52639611 KTHFNNCUKNYGFD-SFHVURJKSA-N 368.433 2.460 0 40 FEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002023 FXPNOCUKGZTHGL-WFASDCNBSA-N 352.866 2.072 0 40 FEAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCc1cccs1 103117335 DXDCDGKWNWCRID-CXTCDGGRSA-N 363.479 2.281 0 40 FEAB CN(C)C(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 53140625 PTPKXIUINIUSIR-UHFFFAOYSA-N 364.799 2.354 0 40 FEAB CCOc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1 778509 OOGYMRFMIHIGMT-UHFFFAOYSA-N 355.419 2.362 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 47406825 UODCXAQURKLXRW-GASCZTMLSA-N 352.500 2.268 0 40 FEAB O=S(=O)(O)c1ccc2c(c1)Sc1cc(S(=O)(=O)O)ccc1O2 1668319 DBWKNWLAUXFTHJ-UHFFFAOYSA-N 360.390 2.437 0 40 FEAB CCCNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681723 XGHQMCCPEUJUCJ-UHFFFAOYSA-N 368.436 2.387 0 40 FEAB O=C1NC(=O)C2(CCN(C(=O)c3sccc3-c3ccccc3)CC2)N1 54705113 YPJRUQNGLSQVCT-UHFFFAOYSA-N 355.419 2.229 0 40 FEAB COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1 100128182 KVGZUYFJZVMKIR-GJZGRUSLSA-N 356.426 2.475 0 40 FEAB CCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 1462412 KHJPIYZZWHBIKS-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)c2ccccc21 1811413 TVHQLEDUJLRMMC-AQTBWJFISA-N 363.417 2.058 0 40 FEAB biogenic Cc1ccc(S(=O)(=O)c2c(N)n(N)c3nc4ccccc4nc23)cc1 1965147 JMGURHSJMGJIOS-UHFFFAOYSA-N 353.407 2.022 0 40 FEAB c1cnnc(N2CCC[C@@H](NCc3ccccc3N3CCOCC3)C2)c1 109070708 KHFYVWQTVBXMDX-GOSISDBHSA-N 353.470 2.072 0 40 FEAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 108524354 GQWYZJGXFPOVHF-OAHLLOKOSA-N 372.918 2.403 0 40 FEAB CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1cc(C)on1)C(F)(F)F 2241109 FUUDJZSCPFEYRE-CYBMUJFWSA-N 351.325 2.379 0 40 FEAB O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)OCCO2 45743756 KUKGTKNDLGGSDW-HNNXBMFYSA-N 374.462 2.263 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 3332635 MPYQJIKQIODOPT-UHFFFAOYSA-N 372.377 2.416 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(C3OCCO3)cc2)cc1 48366729 NOMCZBWJNNMPMV-UHFFFAOYSA-N 354.406 2.087 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2ccccc21 2637383 HBNGSLBONMWJOI-SFHVURJKSA-N 370.405 2.167 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 12891927 SMFIHSZIPFRGKN-INIZCTEOSA-N 370.405 2.235 0 40 FEAB C[C@H](SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)O 12813867 IGQUVCLTMUCYKD-WCQYABFASA-N 351.424 2.328 0 40 FEAB COc1ccc(CCNC(=O)COc2cccc(C(=O)O)c2)cc1OC 13080024 DYPHTCWKHDKASV-UHFFFAOYSA-N 359.378 2.140 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)N(CCN(C)C)Cc1ccccc1 96968740 RUYQIQUCBDMZOS-UHFFFAOYSA-N 353.466 2.315 0 40 FEAB COc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N(C)OC 14140437 JQDRNSFGYBNAGR-UHFFFAOYSA-N 370.471 2.282 0 40 FEAB C[C@H]1C[C@@H]1COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 65655445 NTAMBVVMVCSLQB-WDEREUQCSA-N 361.510 2.298 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512389 AXTKAGPZCJURIB-IBRGLHJFSA-N 363.797 2.328 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)CO[C@H]1CCCc2ccccc21 14254156 CSBRXWABBOBIAP-RDJZCZTQSA-N 358.438 2.306 0 40 FEAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCOCC2)n1 6679188 IAENDBNSLBZBHB-UHFFFAOYSA-N 368.846 2.085 0 40 FEAB COc1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 4839611 OTJCBSZQMNXEJU-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc2cccnc12 97013974 TVHYGFRLZXBZRA-HNNXBMFYSA-N 371.466 2.343 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@H](C)c2ccccc2)CC1 19823068 OFOXPQYAVOUJGD-OAHLLOKOSA-N 360.454 2.446 0 40 FEAB CCCCNC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 27973394 HTQKNXHSCSGHIF-UHFFFAOYSA-N 354.252 2.495 0 40 FEAB O=C(CSc1nnc2n1CCCCC2)NC[C@@H]1COc2ccccc2O1 7215255 LBZREQPIYZTQFB-CYBMUJFWSA-N 374.466 2.053 0 40 FEAB CN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858491 PQMXHYFXJJRXCQ-UHFFFAOYSA-N 358.419 2.025 0 40 FEAB NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)ccc1F 68396206 OMTUKHCUSMUEOE-ZIAGYGMSSA-N 361.417 2.292 0 40 FEAB CC1=NN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C(=O)C1 7987804 JTHRPZWZBAPAKH-UHFFFAOYSA-N 351.362 2.458 0 40 FEAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1 83881859 VPNBYJSPEGDFHC-INIZCTEOSA-N 373.384 2.245 0 40 FEAB CCNC(=O)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 72230509 AIADXXRCZRWTHY-UHFFFAOYSA-N 367.858 2.104 0 40 FEAB C[C@H]1CO[C@@H](CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95421448 ZSZOGTCVAAPLBZ-CMPLNLGQSA-N 354.332 2.143 0 40 FEAB Cc1cc(C)cc(NS(=O)(=O)c2[nH]ncc2C(=O)n2nc(C)cc2C)c1 98212028 SNOTZHCEFODEQL-UHFFFAOYSA-N 373.438 2.329 0 40 FEAB Cc1c(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cnn1CCO 89544799 GFFBVIFLTVTKIT-ZIAGYGMSSA-N 373.457 2.441 0 40 FEAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 89553120 LTHILNBXNCAKAS-LXKVQUBZSA-N 374.418 2.333 0 40 FEAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccco4)CC3)nc(C(C)C)nc12 28557695 AUVVFONJQODWFK-UHFFFAOYSA-N 368.441 2.351 0 40 FEAB COc1ccc(OC[C@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 24098469 FMPUOCAXPACOPC-CQSZACIVSA-N 362.426 2.032 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306125409 CPJSXQAGZDNBGG-JJRVBVJISA-N 354.410 2.146 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375104 DQHVGKHKMKJZNQ-HAUMXSRVSA-N 373.428 2.001 0 40 FEAB Cc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccc(F)cc2)c1=O 408888470 VSRIGQRLRBEBMC-UHFFFAOYSA-N 365.430 2.392 0 40 FEAB COc1c(C)cc(C)cc1S(=O)(=O)N[C@H](C(=O)O)c1cccs1 554703327 FQUCCMCAGXKLQF-ZDUSSCGKSA-N 355.437 2.478 0 40 FEAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218586581 CPCIUZYFGZHWEX-IIDMSEBBSA-N 368.499 2.118 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225197981 GORTWZDAIGXZGC-SNVBAGLBSA-N 350.843 2.406 0 40 FEAB CCN(C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1)C1CC1 40120472 WXOCGBCEEBVIQK-UHFFFAOYSA-N 357.498 2.211 0 40 FEAB CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 514289647 XTQCGXLERFMVDI-STQMWFEESA-N 358.442 2.486 0 40 FEAB biogenic,in-vitro O=C1NCCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1CC1CCCCC1 578616721 IDWFDAFPWYRPNZ-GOSISDBHSA-N 367.453 2.178 0 40 FEAB Cc1cnc(N2CCC3(CC2)CN(Cc2csc(C)n2)CCO3)nc1 96158813 ZIUYPUMRAFATEX-UHFFFAOYSA-N 359.499 2.421 0 40 FEAB Cc1ccsc1CN1CC[C@]2(CCC[C@H](CNS(C)(=O)=O)O2)C1 96208484 IVIZPLLJEWTIDZ-GDBMZVCRSA-N 358.529 2.119 0 40 FEAB O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 96050780 CYLYVVAGTRHAQB-HXUWFJFHSA-N 351.406 2.439 0 40 FEAB Cc1ccc2oc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)cc2c1 257336345 YOAJRPYBCJMQTL-MBOZVWFJSA-N 372.465 2.427 0 40 FEAB CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)CC1 521395823 GNJGHGVFVKEINC-OAQYLSRUSA-N 373.497 2.213 0 40 FEAB Cc1cccc2nc(C(=O)NCc3ccnc([C@H]4CCCOC4)n3)cn12 257276264 NTARWJLXJSOCDL-AWEZNQCLSA-N 351.410 2.257 0 40 FEAB Cc1ccccc1OCc1noc(C2CCN(S(C)(=O)=O)CC2)n1 273925102 WMAQBJKMFOVURQ-UHFFFAOYSA-N 351.428 2.096 0 40 FEAB O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 647585451 QSVJKLMKBHKWBX-YVSFHVDLSA-N 358.438 2.199 0 40 FEAB NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@H]3COC4(CCC4)C3)c2)C1 657876742 MWSIFZRNTISLRJ-RTBURBONSA-N 357.498 2.185 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)[C@H]1n1cccn1 664969809 JDRSIGUPNLXPNJ-RWLNFDPSSA-N 370.428 2.378 0 40 FEAB Cc1cc(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c(N(C)C)nn1 667477129 URPAIABWBRNUBF-ZYHUDNBSSA-N 361.368 2.473 0 40 FEAB COc1cc2c(cc1OC)CN(CC(=O)N1CCc3ncccc3C1)CC2 676827056 DURPYOCLYKHSNW-UHFFFAOYSA-N 367.449 2.042 0 40 FEAB CC(C)c1ncc(S(=O)(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)[nH]1 678802381 PUEUKHLPMJZVOF-CYBMUJFWSA-N 366.491 2.274 0 40 FEAB Cc1ccnc(F)c1-c1cccc(N2C[C@H](N3CCNCC3)CC2=O)c1 1772715235 DEUUZBQSQYJQIS-QGZVFWFLSA-N 354.429 2.207 0 40 FEAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)OC)c1 1775964813 FDAYIBWMIAHSBA-GFCCVEGCSA-N 352.387 2.421 0 40 FEAB NC(=O)c1ccc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)cc1 390828041 NVZSPXNNOLHWHK-UHFFFAOYSA-N 373.416 2.317 0 40 FEAB COc1ncc(CN2CCC[C@H](NC(C)=O)[C@@H]2Cc2ccccc2)cn1 585269294 OJPXFUVHRQEYNQ-OALUTQOASA-N 354.454 2.197 0 40 FEAB CSc1ncccc1C(=O)NCc1ccccc1NS(C)(=O)=O 36391182 PZBLTCJZPHZDGV-UHFFFAOYSA-N 351.453 2.105 0 40 FEAB CC(C)NC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963799 CZRQPUAUYIEAGS-AWEZNQCLSA-N 357.414 2.141 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCN(C)C)c1ccccc1 58014608 DFAMVAQANBPLJD-UHFFFAOYSA-N 356.879 2.139 0 40 FEAB O=C1NC(=S)N/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 13546661 QXVRTLXUYOKUKO-NTEUORMPSA-N 354.387 2.309 0 40 FEAB Cn1c(SCC(=O)NC(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 14092835 GLCLBGCNINQZBF-ZDUSSCGKSA-N 362.455 2.334 0 40 FEAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)C[C@@H](C)O1 19497606 ZSWSHDIFVDAKBP-OKILXGFUSA-N 372.444 2.081 0 40 FEAB CCOC(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19529450 VEIGSMDGGYKDCV-OAHLLOKOSA-N 360.454 2.246 0 40 FEAB C[C@@H]1CC[C@@H](NC(=O)NCC2C3CC4CC(C3)CC2C4)CS1(=O)=O 664551785 GLERRXYGVMBKNT-NNKSGKNISA-N 354.516 2.324 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)c1F 253471531 DAVZUFUKXZBKTG-LLVKDONJSA-N 360.389 2.338 0 40 FEAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1 3373122 UASZHDUPSYECMK-UHFFFAOYSA-N 371.780 2.232 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c1C 5212071 GFRDZOKCGPMLTI-CYBMUJFWSA-N 358.394 2.280 0 40 FEAB COc1cnc(OC2CCN(C(=O)c3onc4c3CCCC4)CC2)nc1 1889139822 CWDLXTVZVGGLPH-UHFFFAOYSA-N 358.398 2.036 0 40 FEAB Cc1cc(CN2C[C@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)n[nH]1 1565541720 PPEMQMRLSNGQFN-QGZVFWFLSA-N 362.518 2.499 0 40 FEAB O=C(COc1ccc(F)cc1)Nc1cccc(N2CCCS2(=O)=O)c1 5339234 GBBGEVRXTWXEBY-UHFFFAOYSA-N 364.398 2.383 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCc3cccs3)C2)o1 2055759347 NRVSVSKAWUFEPE-FZKQIMNGSA-N 360.435 2.055 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 2086867349 MZOPPBDNEIQWHO-AWEZNQCLSA-N 368.319 2.480 0 40 FEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccc(F)c(F)c3)C2)n(C)n1 2332241503 BALOOJZGBBNDFX-COLVAYQJSA-N 365.384 2.220 0 40 FEAB Cn1c(-c2ccccc2)c(C(=O)N2CCO[C@@H](C(N)=O)C2)c2ccccc21 50853042 SPSCSXZGFKEWSF-QGZVFWFLSA-N 363.417 2.172 0 40 FEAB CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101402625 YZSGGGOTGPUVBM-TUAOUCFPSA-N 367.496 2.379 0 40 FEAB COCc1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 32707871 FIBUOTATSCBBSN-UHFFFAOYSA-N 368.433 2.487 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 807169 BWAUZLCVKVDAOL-OAHLLOKOSA-N 368.499 2.401 0 40 FEAB Cc1csc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)n1 24173463 ALFUCQGBFZXBLM-UHFFFAOYSA-N 359.407 2.374 0 40 FEAB COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C)c1 54979549 UZDGFVDHISNDCE-QGZVFWFLSA-N 374.462 2.256 0 40 FEAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 8155576 UYGRTKSSFWXISK-CYBMUJFWSA-N 352.456 2.164 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NOCc1ccccc1 25286497 QKQYWQLOCMFVIV-SFHVURJKSA-N 374.462 2.011 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](CCC(=O)O)C(F)(F)F)cc1 8492471 TYQRSHIVHFQDNS-VIFPVBQESA-N 355.334 2.017 0 40 FEAB C[C@H]1CN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 25413264 CBIYNIISAKDDAK-FGTMMUONSA-N 359.514 2.265 0 40 FEAB C[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccc2c(c1)CCC(=O)N2 56086709 AKZIIBXXYGVLFF-CYBMUJFWSA-N 351.472 2.343 0 40 FEAB Cc1nc(C(=O)NCc2ccc3c(c2)OCO3)nn1-c1ccc(F)cc1 10023640 VKBLKEPGXIGRGV-UHFFFAOYSA-N 354.341 2.374 0 40 FEAB CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)C1CC1 58203541 INLCDANAYBQJPL-UHFFFAOYSA-N 371.403 2.122 0 40 FEAB CCc1nnsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 58268597 AJTIWSKRNRJJPU-RYUDHWBXSA-N 361.471 2.039 0 40 FEAB CC(C)N1CCC[C@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 58209967 YOTJHRZQFFLCJN-OAHLLOKOSA-N 357.458 2.301 0 40 FEAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)cc1Cl 36389613 BFCQOPYZAMAORB-GOSISDBHSA-N 373.840 2.460 0 40 FEAB NC(=O)c1ccc(NC(=O)CSCc2nc(N)c3ccccc3n2)cc1 36394505 ZPZCBAFGAOYMJO-UHFFFAOYSA-N 367.434 2.183 0 40 FEAB CC[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(C)cc1 12870731 JYTCGFYDPBGLSA-KRWDZBQOSA-N 351.410 2.005 0 40 FEAB CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21 101485901 WTEMHUNGHRHHAV-PQEBFOHHSA-N 364.426 2.494 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NCCc1ccc2c(c1)OCO2 24381645 UCWWNVSTSMUOBY-UHFFFAOYSA-N 354.362 2.072 0 40 FEAB CCOC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1CC(C)C 2785968 LPOKCKLVNYAADR-VGOFMYFVSA-N 364.471 2.220 0 40 FEAB CCn1cc(Cl)c(C(=O)Nn2c(C)nc3sc(C)cc3c2=O)n1 2780513 UTLUYUBFGSGVRQ-UHFFFAOYSA-N 351.819 2.329 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(Cl)c1)C2=O 3457903 HNJQXUCQFYOQRW-UHFFFAOYSA-N 363.845 2.457 0 40 FEAB CCCCN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3528553 PEVGSPKAPJKWSF-UHFFFAOYSA-N 370.453 2.100 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1nc2ccc(F)cc2s1 27794137 JLCFXZOJSLGBBI-UHFFFAOYSA-N 370.369 2.429 0 40 FEAB COc1cc(NS(=O)(=O)c2ccc(F)cc2F)c(C(=O)O)cc1OC 13263131 GNJXWWUYOGWPFP-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CNC(=O)NC2CC2)cc1 65498959 XHVWOZBMINRXSK-CYBMUJFWSA-N 358.442 2.101 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 4487848 MJFQMQCKFRMQEL-XGYYKPKNSA-N 363.410 2.330 0 40 FEAB O=C(/C=C/c1ccco1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20033627 SCOCDTAUKMCTQO-JXMROGBWSA-N 360.435 2.394 0 40 FEAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cn1nnc2ccccc2c1=O 14677089 GGLBUZIWAXYADH-UHFFFAOYSA-N 374.187 2.314 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1csc(-c2cccc(Cl)c2)n1 7106964 FLKJMFFJSPHLAA-UHFFFAOYSA-N 365.798 2.172 0 40 FEAB CC(C)N(C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)C(C)C 7190625 MGTRUMPSAPLCAD-CYBMUJFWSA-N 373.544 2.458 0 40 FEAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 9501638 YGUNLTZFZKCGIH-CQSZACIVSA-N 354.472 2.355 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 15797374 VRQVNWDRKGLZGI-YOEHRIQHSA-N 368.499 2.449 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(OC)c1 16313854 UBOHWNFIDMJLQJ-UHFFFAOYSA-N 361.350 2.069 0 40 FEAB CN(Cc1ccc(Br)o1)c1nccc(N2CCOCC2)n1 83862644 FEFFEVNZRWIQHT-UHFFFAOYSA-N 353.220 2.305 0 40 FEAB Cc1n[nH]c(C)c1CNC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 69424428 DAOUZVPMNVBPCI-QGZVFWFLSA-N 371.441 2.143 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1c[nH]c2ccccc12 9638387 ZPFVLHOLAFZPOK-UHFFFAOYSA-N 368.437 2.081 0 40 FEAB COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccn4)CC3)n2)cc1 18149010 YGTBKQXSAJRXGL-UHFFFAOYSA-N 363.421 2.167 0 40 FEAB CN(C)CCCNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 27969838 OAABXYJXWXKNNR-UHFFFAOYSA-N 365.275 2.375 0 40 FEAB CN1CC(=O)N(CCCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 8744990 JNSQKEDEJVKNLE-UHFFFAOYSA-N 373.409 2.341 0 40 FEAB COc1cc2c(cc1OC)-c1nc3cc(C(=O)O)ccc3c(=O)n1CC2 98212116 GZXOKRUNKOBHKA-UHFFFAOYSA-N 352.346 2.335 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2CCOCC1CC1 306136121 PJXSNLNYRDQKJX-MJGOQNOKSA-N 357.450 2.424 0 40 FEAB CC(C)NC(=O)N1CCO[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306127920 GKRPFZMNSINKRP-MRXNPFEDSA-N 366.425 2.283 0 40 FEAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 408555327 WMQXIXXVYDYDHE-UHFFFAOYSA-N 355.394 2.005 0 40 FEAB CSc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 32944950 WIHBCZRBZICJJB-UHFFFAOYSA-N 353.454 2.160 0 40 FEAB COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 32124431 OGDMPWIUSPYXAT-GOSISDBHSA-N 372.425 2.029 0 40 FEAB biogenic CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 30361252 DUCIUAFFXJMPEJ-UHFFFAOYSA-N 368.499 2.402 0 40 FEAB Cn1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nn1 70641624 SZRLECQMTMZZKD-UHFFFAOYSA-N 356.361 2.024 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2cccs2)cc1 31520895 ZGDIOGDUHOSCRH-UHFFFAOYSA-N 352.481 2.384 0 40 FEAB C[C@H](N)c1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 1576164358 INJQHNPEGVPKRS-LBPRGKRZSA-N 352.394 2.010 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 40161002 AMHCIYZUMNKTAK-NWDGAFQWSA-N 368.480 2.301 0 40 FEAB CC(=O)Nc1ccc(C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 41089811 MRXYHRYOCJNMQJ-UHFFFAOYSA-N 355.398 2.318 0 40 FEAB CSc1cccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 223298164 BRKAMDFKFYEZLH-UHFFFAOYSA-N 352.437 2.073 0 40 FEAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240904 NEJNDRJWFQTSHC-SFHVURJKSA-N 356.466 2.486 0 40 FEAB CC(C)CN1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 514289928 PZXLGGXRYDOKPJ-GOSISDBHSA-N 359.514 2.328 0 40 FEAB biogenic,in-vitro CN(Cc1cccnc1)Cc1cn2c(n1)CN(Cc1nccs1)CC2 96059544 VDRZRUCWLUQMLG-UHFFFAOYSA-N 354.483 2.382 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96229114 PQXLHSJRCGKXLU-LJQANCHMSA-N 357.458 2.200 0 40 FEAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccccc1 96520798 NDROAWJKTICFHD-MRVPVSSYSA-N 358.051 2.208 0 40 FEAB COc1cccc(C2(C(=O)N3CCO[C@@H](Cn4nc(C)cc4C)C3)CC2)c1 585081898 WTUNDGJBJYOKEY-LJQANCHMSA-N 369.465 2.468 0 40 FEAB Cc1ccc(CNC(=O)N2CC(O)(c3ccccc3)C2)c(N2CCCC2)n1 585085315 OMWLZFUPKQUPPZ-UHFFFAOYSA-N 366.465 2.403 0 40 FEAB COCCN1C(=O)N[C@@H]2CN(c3c(C)c(C)nc4ccccc34)CC[C@@H]21 585655467 KCEYZJGJAROBTM-MSOLQXFVSA-N 354.454 2.471 0 40 FEAB COCC[C@@H]1CCOC2(C1)CN(C(=O)Cc1ccc(F)cc1OC)C2 247890650 MJZFRMICPYMBJZ-CQSZACIVSA-N 351.418 2.421 0 40 FEAB Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)n1 257246381 ITXGQCWKZLIJOE-HNNXBMFYSA-N 354.414 2.084 0 40 FEAB O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cn(-c2cccc(Cl)c2F)nn1 619078144 OSMMRRFKQOPSFL-QWHCGFSZSA-N 350.781 2.093 0 40 FEAB Cc1cnccc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644438459 FIFKYTACZYLARG-OAQYLSRUSA-N 353.466 2.423 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCc2ncncc2C1 648230521 JYEKVCMSIUCVNM-OAHLLOKOSA-N 350.422 2.456 0 40 FEAB CS(=O)(=O)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1 1776001620 CDBFDHQUFAGKFI-UHFFFAOYSA-N 354.863 2.367 0 40 FEAB Cc1cc(C)n(-c2cc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)ncn2)n1 90614263 UBHFYMFZSDVYDY-UGSOOPFHSA-N 365.393 2.446 0 40 FEAB O=C(COc1ccccc1F)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365538 UZTPGTPROOZWBS-OAHLLOKOSA-N 363.410 2.279 0 40 FEAB O=C(CCc1cccnc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585284218 GGAUITZGLNTYIU-XFQXTVEOSA-N 358.413 2.488 0 40 FEAB Cc1cc(OCC2CCN(c3nc(C)nc4c3cnn4C)CC2)ncn1 1565520729 JSKQIRZZDFRTDQ-UHFFFAOYSA-N 353.430 2.066 0 40 FEAB CN(Cc1cccc(O)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O 83864154 LVDCLADNICIXMZ-QGZVFWFLSA-N 354.406 2.361 0 40 FEAB CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1n[nH]c2ccccc12 188144674 RRIAQSLGPVNLNE-NRFANRHFSA-N 364.449 2.272 0 40 FEAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C4CCCCC4)C3)c2n1 12085024 OWRABZFHXKDTMZ-CYBMUJFWSA-N 358.446 2.054 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 12365053 WUKYJJPCXSNRTA-CQSZACIVSA-N 351.410 2.310 0 40 FEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)NCc1ccccc1 13012643 CIFCJOONRBJPFW-UHFFFAOYSA-N 359.813 2.020 0 40 FEAB Fc1ccc(-n2ncc3c(SCCN4CCOCC4)ncnc32)cc1 13295524 OSZVXIDAYSAJSH-UHFFFAOYSA-N 359.430 2.379 0 40 FEAB CCN1CCN(C(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)CC1 14607670 YNHQBYMNDZFQCJ-UHFFFAOYSA-N 364.453 2.186 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@H]2OCCc3ccccc32)c(OC)c1 16857392 BZGHICLIGDQSKP-GOSISDBHSA-N 370.405 2.073 0 40 FEAB CCc1c(C)nc([C@H]2CCCN2C(=O)c2ccc(C(C)C)[nH]c2=O)[nH]c1=O 19521597 VXPATPXZRHCDHM-MRXNPFEDSA-N 370.453 2.430 0 40 FEAB CCN1CCN(Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)CC1 19528216 QOSJKOCPQIHPGW-UHFFFAOYSA-N 369.444 2.299 0 40 FEAB COc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)cc1 19554911 DYVIRBBQLXKODE-INIZCTEOSA-N 354.454 2.368 0 40 FEAB COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 19571202 HJVWBJGDYVJFAT-IBGZPJMESA-N 354.450 2.486 0 40 FEAB Cc1ccccc1N1C[C@H](C(=O)N2CCC(N3CCCC3)CC2)CC1=O 19661683 KIYBVIIPEPLMEU-QGZVFWFLSA-N 355.482 2.435 0 40 FEAB CC(=O)N[C@H]1CN(Cc2ccnc3ccccc23)C2(CCN(C)CC2)C1 19704048 OUKMDLAENQXRID-GOSISDBHSA-N 352.482 2.410 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cs1 19705551 FVKWFLUHNFYTLW-HNNXBMFYSA-N 372.494 2.497 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 19356878 YFZBJVGRKBSUSK-ZIAGYGMSSA-N 363.483 2.152 0 40 FEAB Cc1ccc(NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 36390179 KMFULCMMOSAZTG-UHFFFAOYSA-N 366.465 2.461 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4ccn5nccc5n4)C[C@@H]3C2)nn1 1888897341 HOHHKDJNRVEKFD-GASCZTMLSA-N 363.469 2.389 0 40 FEAB CC(C)n1cnc(S(=O)(=O)NCCn2cc(-c3ccccc3)cn2)c1 244975215 IGUSTTXLKLKOEU-UHFFFAOYSA-N 359.455 2.306 0 40 FEAB COC(=O)n1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 1440387 VFWRHTRIEZPIJV-UHFFFAOYSA-N 362.363 2.318 0 40 FEAB biogenic COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 4479580 NKDGOSDMESQBRE-OAHLLOKOSA-N 369.421 2.309 0 40 FEAB CNC(=O)Cn1c(CO)cnc1SCc1ccc(C(F)(F)F)cc1 9827372 XZUGGZFMLYBEGW-UHFFFAOYSA-N 359.373 2.433 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(C)nn2)C1 585234375 MZTGRCLKRCDSGV-CQSZACIVSA-N 354.410 2.427 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCc2nccnc2-c2ccncc2)cc1 585150665 VAQPWICVSJRBKW-UHFFFAOYSA-N 368.418 2.220 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 50994794 WKSDGLVWKVCYPG-QGZVFWFLSA-N 357.498 2.420 0 40 FEAB CC(C)C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 20733041 YKAGJVYPYWDXCG-UHFFFAOYSA-N 374.510 2.178 0 40 FEAB CCn1cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)ccc1=O 47181316 YMHAMBYNZSQOFJ-UHFFFAOYSA-N 368.368 2.114 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(=O)[nH]cnc21 12413705 KLFHAKGAIOXEQF-UHFFFAOYSA-N 357.439 2.487 0 40 FEAB biogenic,in-vitro COCCn1c(O)cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C 12408175 DZZMPHSMSHYKKR-UHFFFAOYSA-N 356.407 2.409 0 40 FEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(C(=O)N2CCCC2)CC1 22991673 NJLZUAAFLVVPQM-UHFFFAOYSA-N 353.422 2.003 0 40 FEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)cc1 913276 AHOKXPDKGLOQIZ-HNNXBMFYSA-N 356.334 2.300 0 40 FEAB C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 4984967 DBKIYMMKUVZIGI-WMLDXEAASA-N 355.438 2.039 0 40 FEAB COc1cccc(-n2cnnc2SCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 6039921 UJEGLYWBIQOMBF-STQMWFEESA-N 362.455 2.004 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC(Cc2ccccc2)CC1 6360197 AEHCDOSRWMLSRQ-OALUTQOASA-N 366.461 2.419 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 6654956 AFKQYUZTEHPDFB-UHFFFAOYSA-N 354.472 2.121 0 40 FEAB COc1cc(CNC(=O)NCc2cccc(NC(=O)C3CC3)c2)ccn1 12545747 JLGWKDGRYNBUOF-UHFFFAOYSA-N 354.410 2.438 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)[C@@H]1Cc2ccccc2O1 24660472 ZVYYFKZCDUAFAA-WMZOPIPTSA-N 368.458 2.208 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CNC(=O)NCc2ccccc2)c1 8328099 NSXMKQJXNUPZIK-UHFFFAOYSA-N 355.394 2.220 0 40 FEAB COC(=O)c1cccc(C(=O)NCc2cccnc2OCC(F)(F)F)n1 56892339 QZCURNSXXTUJQA-UHFFFAOYSA-N 369.299 2.134 0 40 FEAB CN(C(=O)CNc1ccccc1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 57861370 MIGLEZBZNDGCEQ-GOSISDBHSA-N 372.490 2.335 0 40 FEAB O=C(NCc1ccccc1Cn1cncn1)c1cc(-c2cccnc2)on1 48263882 FOPUYNRUBUZPAC-UHFFFAOYSA-N 360.377 2.306 0 40 FEAB O=C(NCC1CC1)[C@@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48289173 HOHLKDCPPQCSCC-CYBMUJFWSA-N 363.845 2.444 0 40 FEAB CN(C(=O)CN1CCCS1(=O)=O)c1ccc(Oc2ccccc2)cc1 58298531 LHHAICKCCNPUEC-UHFFFAOYSA-N 360.435 2.477 0 40 FEAB CN1CCc2nc(NC(=O)c3cn(Cc4ccccc4)nn3)sc2C1 27989121 QODZNYMMINCRSP-UHFFFAOYSA-N 354.439 2.023 0 40 FEAB Cn1ccs/c1=N\C(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 102841173 YICQHKNKHOJGDX-ICFOKQHNSA-N 350.465 2.301 0 40 FEAB CCn1ncc(-c2cc(C(F)F)nc(N3CCC(C(N)=O)CC3)n2)c1C 36618628 LQKKJMVXCGQKCU-UHFFFAOYSA-N 364.400 2.308 0 40 FEAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)noc3C)n2)cc1 61112645 PUNSPZHBZMRCHQ-UHFFFAOYSA-N 362.411 2.471 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NCc3ccccc3Cn3ccnc3)cc12 29992199 AIRGKZJWNLZEPG-UHFFFAOYSA-N 360.421 2.452 0 40 FEAB Cc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)o1 10207524 FBFCHKQMGQCUAE-FNORWQNLSA-N 371.389 2.275 0 40 FEAB COCCNC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 12138471 IUGBEQWWJPAHDX-UHFFFAOYSA-N 358.394 2.089 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 12857221 VQTIYGNOXIEUQQ-UHFFFAOYSA-N 372.418 2.173 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3523408 PJECDMSQYICLDC-CQSZACIVSA-N 370.380 2.266 0 40 FEAB C[C@]1(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC1(Cl)Cl 3517956 RUVBNFACVDQWRX-CQSZACIVSA-N 357.193 2.099 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12933363 NQVZAHMERLOBMO-SNVBAGLBSA-N 360.439 2.058 0 40 FEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NC[C@@H](c1ccco1)N1CCCC1 12974479 WCWCOAFGXMEQGC-YJBOKZPZSA-N 369.421 2.323 0 40 FEAB COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc1 48765201 ILSRSTYQCLUDLD-QGZVFWFLSA-N 370.405 2.290 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 13013003 LSZSDLOFYIOHFW-KBPBESRZSA-N 352.456 2.295 0 40 FEAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCCc2ccccc2)c2ccccc21 4046517 MWSJJLKAEKRAGV-FXAWDEMLSA-N 364.401 2.206 0 40 FEAB biogenic CCN1CCN(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)CC1 21128684 ZLWLUNKFFYENCJ-OAHLLOKOSA-N 373.526 2.280 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4noc(C)n4)C3)[nH]n2)cc1 96000742 PLXXHYXJVIQEIB-MRXNPFEDSA-N 353.382 2.290 0 40 FEAB O=C(/C=C/c1ccc(I)o1)N1C[C@H]2[C@H](O)CC[C@H]2C1 96010775 GQBYMNKBDCYDIR-VQZBQPHQSA-N 373.190 2.127 0 40 FEAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)N1CCCC1 64814409 VGXAEANSMKJZFG-UHFFFAOYSA-N 355.316 2.449 0 40 FEAB O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@H]1CCS(=O)(=O)C1 14139576 OCRQZZIUVZTMSG-QMMMGPOBSA-N 372.657 2.329 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 66842595 VFNJQLOLYNXPHN-UHFFFAOYSA-N 374.890 2.235 0 40 FEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C 4912551 SCJNOSJTMHUFIX-UHFFFAOYSA-N 371.828 2.005 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(N)=O 4937904 RYYDHLGRLIJQTM-UHFFFAOYSA-N 360.435 2.001 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(C)cc3c2=O)CC1 22234697 YGCAVLADWHYSSP-UHFFFAOYSA-N 371.437 2.244 0 40 FEAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 17074301 ATNLBJXISDCFIW-CHWSQXEVSA-N 360.501 2.115 0 40 FEAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=c1\sc2nc3ccccc3n2c1=O 408903402 SVZMCBCDFLKDRG-FMNVXAMXSA-N 374.425 2.448 0 40 FEAB CCn1cc(C(=O)O[C@@H]2C[C@@H](OC(=O)c3cnn(CC)c3)C2(C)C)cn1 95997350 KGCLSKAQROWSSW-HUUCEWRRSA-N 360.414 2.300 0 40 FEAB CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 95945002 RATOKPKWLFCMRI-VIFPVBQESA-N 357.336 2.454 0 40 FEAB COc1ccc2nnc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2n1 72404362 KLJIMFLLQXCESU-AWEZNQCLSA-N 353.426 2.203 0 40 FEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113966894 YODUYDBVSPSCAQ-LBPRGKRZSA-N 368.405 2.436 0 40 FEAB COc1cc2c(cc1OC)-c1[nH]nc(C(=O)NCCn3cccc3)c1C2 524734305 RLHSKFCMLYUTKQ-UHFFFAOYSA-N 352.394 2.230 0 40 FEAB O=C(NC[C@H]1CN(C2CCCC2)Cc2ccnn2C1)C1CC(F)(F)C1 306130065 IVMUXXWBTLMHGZ-ZDUSSCGKSA-N 352.429 2.419 0 40 FEAB COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1 35999867 ZTQHGXIQPAFBEB-UHFFFAOYSA-N 367.405 2.410 0 40 FEAB O=C(CN1CCC(c2nccnc2Oc2cccnc2)CC1)N1CCCC1 72383626 GDPVFWAZYRMOGN-UHFFFAOYSA-N 367.453 2.466 0 40 FEAB Cc1cc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)no1 62022977 VFHJMKDFCQBBQV-NSHDSACASA-N 353.338 2.139 0 40 FEAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217444455 IEWKVDWMEPYALC-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB COCC(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342938 VBYUNCJSMPTIJV-AWEZNQCLSA-N 369.425 2.354 0 40 FEAB CCOC[C@@H]1CN(C(=O)NCc2ccccc2-n2ccc(C)n2)CCO1 527821774 NNXUGLDQXJZKQU-KRWDZBQOSA-N 358.442 2.128 0 40 FEAB CN1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 225580341 GJRCENJSINOCGZ-UHFFFAOYSA-N 353.869 2.465 0 40 FEAB COc1ccc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)c(OC)c1 96231856 URNZKUVVWVAIHW-ZDUSSCGKSA-N 352.346 2.153 0 40 FEAB c1cnc2ncc(CN(Cc3nccs3)[C@@H]3CC34CCNCC4)n2c1 583623069 LCQAOONIHYFBOI-OAHLLOKOSA-N 354.483 2.330 0 40 FEAB O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCn2ncnc2C1 333499119 KCNRMEMLRAGMAZ-UHFFFAOYSA-N 363.219 2.361 0 40 FEAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccsc1)CC2)c1cnccn1 96051513 JEECRWMZCRPHLL-OAHLLOKOSA-N 356.451 2.353 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccn3)CC[C@@H]12)NCc1cccs1 96220183 RUSMXGJLNXZMBQ-BMFZPTHFSA-N 358.467 2.086 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](OCc3cccnc3)C2)cn1 248122220 VQBQUGKXNNVIGZ-LJQANCHMSA-N 363.421 2.223 0 40 FEAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 604383326 WKNMENDZUSXRCK-ABSDTBQOSA-N 359.470 2.199 0 40 FEAB biogenic,in-vitro CCc1[nH]nc(C(=O)N=c2nc(CC3CC3)[nH]s2)c1Br 585114229 FWQPFRPVYNHIBX-UHFFFAOYSA-N 356.249 2.213 0 40 FEAB COCc1c(C(=O)N2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)noc1C 257224898 FDWBLINHBCYPLR-OAHLLOKOSA-N 359.430 2.271 0 40 FEAB O=C(NCc1ccc2occc2c1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 666788888 BLDQZKRDOAKXAT-CQSZACIVSA-N 374.422 2.311 0 40 FEAB CCn1nc2c(cc1=O)CN(C(=O)Cc1ccc(-n3cccc3)cc1)CC2 674532738 JARUNTOJPVQRTG-UHFFFAOYSA-N 362.433 2.181 0 40 FEAB C=CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 1776002209 XHMZPQQLAGCMRN-DIFFPNOSSA-N 368.836 2.442 0 40 FEAB COC(=O)c1cn(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)c2ccccc12 609509009 DJTUTTZGTLOTEB-HNNXBMFYSA-N 355.438 2.123 0 40 FEAB CC(C)c1ccc(OCC(=O)NCc2cn(-c3cccnc3)nn2)cc1 575617451 BCWICGFOMGPTGL-UHFFFAOYSA-N 351.410 2.481 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575402456 APIBZVBWGVNMRF-INIZCTEOSA-N 360.483 2.233 0 40 FEAB Cc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1-c1cccc2cccnc12 67136585 ZLQKYOIVRSCSFG-AWEZNQCLSA-N 364.453 2.338 0 40 FEAB NC(=O)COc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 97001586 JMLNUSKRNQCTOD-UHFFFAOYSA-N 374.404 2.292 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(CC)cc2)n(C)c1=O 5159320 WAIYSQVUNKASHI-UHFFFAOYSA-N 367.453 2.411 0 40 FEAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 16637348 OAPCWJGZYJRVJV-AWEZNQCLSA-N 356.488 2.319 0 40 FEAB CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C 19523986 QFMYVARFZYXRAY-QHAWAJNXSA-N 354.498 2.074 0 40 FEAB Cc1nc(C2CCN(CCOc3ccc(F)cc3)CC2)ncc1C(N)=O 19766610 ZXNWAHCDLLVIGG-UHFFFAOYSA-N 358.417 2.281 0 40 FEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccc(C)cc3)nc(N(C)C)n2)C1 12235835 JCMMUWMYCHSFHK-MRXNPFEDSA-N 354.454 2.480 0 40 FEAB Cc1ccc(OCCOC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 7171333 DSUCQZUBZIWZKY-UHFFFAOYSA-N 360.410 2.172 0 40 FEAB Cc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)n2nc(C)cc2n1 1888879490 PQABSIYJBQDFIS-UHFFFAOYSA-N 363.469 2.342 0 40 FEAB O=S(=O)(NC[C@]1(O)CSCc2ccccc21)c1c(F)cccc1F 2087165806 TWQDZOJVZLRDIK-INIZCTEOSA-N 371.430 2.378 0 40 FEAB CCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940632 LXMKFCXCARGGIC-UHFFFAOYSA-N 358.419 2.422 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC 8895982 OQWKZEFTFIAAHZ-AWEZNQCLSA-N 370.496 2.347 0 40 FEAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)NC(C)C)c(=O)c32)cc1C 13971180 NMOMFTRMQYZSAA-UHFFFAOYSA-N 353.426 2.032 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)cn1 2055729809 OYNVTYWTRPBHJR-QGZVFWFLSA-N 350.422 2.064 0 40 FEAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1ccccc1Cl)CC2 2055732409 IHUDGWSXMRFDON-NSHDSACASA-N 369.874 2.225 0 40 FEAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2nccc(C(F)(F)F)n2)C1 2086861232 WQFCQGVPFPCLOB-CQSZACIVSA-N 355.295 2.448 0 40 FEAB CC(=O)c1ccc(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)s1 32810588 MWHONCCKZLGEBV-CQSZACIVSA-N 358.419 2.447 0 40 FEAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(F)c(F)c1)C1CCCCC1 32916515 QEULVZYEXHCMSK-UHFFFAOYSA-N 360.426 2.376 0 40 FEAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 52774067 CWEZFFPUYLEAEY-GUYCJALGSA-N 350.484 2.011 0 40 FEAB CC(=O)Nc1cccc(-c2nnc([C@@H]3CCC[C@H](NC(C)=O)C3)nn2)c1 1704360 QXEAYYWBHBNGPE-ZBFHGGJFSA-N 354.414 2.054 0 40 FEAB CC(C)[C@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(=O)O 2036466 XKZMCDYOEUCOIS-HNNXBMFYSA-N 362.426 2.451 0 40 FEAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 994046 BWCASPOOVOJDCA-UHFFFAOYSA-N 362.407 2.162 0 40 FEAB CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CSC2 4941645 HILGYPAHRAYXSX-UHFFFAOYSA-N 360.439 2.092 0 40 FEAB O=C(NCCc1cccs1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986726 MPKHZKXUMNPYQN-GDBMZVCRSA-N 359.451 2.074 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818283 CPMAWPWXMLDYMZ-UHFFFAOYSA-N 364.408 2.209 0 40 FEAB CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)c3cccs3)N2c2ccccc21 103461256 WTEMHUNGHRHHAV-ORQFMDKSSA-N 364.426 2.494 0 40 FEAB COc1ccc(NC(=O)c2cccc3cccnc23)cc1S(N)(=O)=O 8074179 NXOLWXKHKNYFHM-UHFFFAOYSA-N 357.391 2.143 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(O)c(OC)c1)n2CCC 12547394 NPSVSDYSQSGSPJ-UHFFFAOYSA-N 372.425 2.478 0 40 FEAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC[C@H]1CCCO1 25079586 CARVHDQYRDMJMF-LLVKDONJSA-N 361.467 2.091 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccccn3)ccc2N1 57013164 BLTIAZXICBVXAC-KRWDZBQOSA-N 357.435 2.492 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccn2)cc1 9321967 JFSDYCGYUIZGKE-UHFFFAOYSA-N 363.439 2.096 0 40 FEAB COC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 35308077 LZAIMMPSQCIKSG-UHFFFAOYSA-N 369.421 2.291 0 40 FEAB CCOc1ccccc1NC(=O)[C@H](NCC(=O)N(C)C)c1ccccc1 57335778 DHXJKSRMOIHYFU-LJQANCHMSA-N 355.438 2.443 0 40 FEAB COCCn1cc(C(=O)N2CCC(CNC(C)=O)CC2)c2ccccc21 57433864 QRIYBICUZQLMAX-UHFFFAOYSA-N 357.454 2.276 0 40 FEAB CCN(CC)[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1 58251134 LQNSASNFVCZISG-KRWDZBQOSA-N 371.485 2.485 0 40 FEAB Cc1ccc([C@@H]2Nc3ncnn3[C@@](O)(C(=O)O)[C@H]2c2ccccc2)cc1 72332360 NIWGPNKZBWIVQQ-BXWFABGCSA-N 350.378 2.267 0 40 FEAB Cc1nc2cc(F)cc(C(=O)NCc3ccc(C(N)=O)cc3)c2nc1C 48368292 GCPFTSVKKHHCJL-UHFFFAOYSA-N 352.369 2.415 0 40 FEAB COc1ccc(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1OC 2689585 GOTSTXCNSPTSLD-UHFFFAOYSA-N 362.359 2.349 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)CO2 49779769 LYPKUTWOIPBMSJ-UHFFFAOYSA-N 373.796 2.430 0 40 FEAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 6218254 BGSRZJVAJYXWIM-HNNXBMFYSA-N 368.231 2.417 0 40 FEAB CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 66290930 TWJPATRPISRPMS-ZDUSSCGKSA-N 360.863 2.491 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)O)c2)c1 96968409 LHMYQYJGAODIJX-CQSZACIVSA-N 362.451 2.215 0 40 FEAB CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 6852159 UWSQDXZUZWTIDV-UHFFFAOYSA-N 364.389 2.242 0 40 FEAB COc1ccc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 6810274 LPTKIQCUNBBGRG-OAHLLOKOSA-N 363.435 2.426 0 40 FEAB C[C@@H](C(=O)NCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 9356124 KLNGLYSYQAHWKM-NSHDSACASA-N 356.831 2.404 0 40 FEAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 80329927 OHVZWRXTWHYQKQ-PXAZEXFGSA-N 361.833 2.083 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCCCC2)c1 7780889 XEVZNUOHLHSCKA-UHFFFAOYSA-N 367.515 2.450 0 40 FEAB Cc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)c(C)c1 7982370 GZHXMZSGWPTPCS-UHFFFAOYSA-N 350.411 2.406 0 40 FEAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1C 8291571 IYPCDXZSZHSDCE-UHFFFAOYSA-N 357.435 2.371 0 40 FEAB COC(=O)c1ccc(OC(=O)CCn2c(=O)oc3ccccc32)c(OC)c1 18119942 HLXMEFZPLBMAIJ-UHFFFAOYSA-N 371.345 2.385 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24209216 WDZTWLYSNRAZRA-IBGZPJMESA-N 360.479 2.347 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(C)n[nH]4)C3)nn2)cc1 95998028 NSUWZHGEBILMBC-UHFFFAOYSA-N 352.398 2.072 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)N(CC2CC2)CC(F)(F)F)cc1 75093898 ZNOMTQYSEDRZEF-UHFFFAOYSA-N 364.389 2.351 0 40 FEAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CCN1CCOCC1 89573837 HFLLNUYGJAGXMC-ZDUSSCGKSA-N 359.392 2.296 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)cc2)Oc2ccccc21 38849317 ZJQWBYRBXAAVEC-INIZCTEOSA-N 364.398 2.382 0 40 FEAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1 32074502 UITWOULGESAPGT-UHFFFAOYSA-N 354.435 2.276 0 40 FEAB Cc1ccccc1CN1CCCN(CC(=O)NC(=O)NC2CCCC2)CC1 30153851 USMMBGZBEJYPGV-UHFFFAOYSA-N 372.513 2.271 0 40 FEAB CC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(=O)[nH]c(C)nc3n2)C1 72350870 HQRKSCXZQBJDEC-JTQLQIEISA-N 354.332 2.371 0 40 FEAB O=c1c2ccccc2nc(O)n1Cc1ccncc1OCC(F)(F)F 537313450 BLCLLTJCWINVFR-UHFFFAOYSA-N 351.284 2.487 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)c1cc2ccccc2oc1=O 70930484 ZTGMNIDHCMEUAR-UHFFFAOYSA-N 364.405 2.229 0 40 FEAB Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)n1 72380565 MCNXAXNSTDEBOR-KRWDZBQOSA-N 370.457 2.183 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218601577 AUAADPZMOFNVLH-LMMKCTJWSA-N 359.447 2.218 0 40 FEAB CN1CCC(N(Cc2cccnc2)C(=O)c2cc(Cl)c[nH]c2=O)CC1 72429963 CPKSOTUTDVENSB-UHFFFAOYSA-N 360.845 2.160 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)ccc1OC 223876122 YXGYEHCALRXXIK-UHFFFAOYSA-N 368.842 2.187 0 40 FEAB COc1cccc(Cn2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)c1 49409983 OKAVZHRKWAIFOQ-UHFFFAOYSA-N 366.402 2.265 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C 223797072 QBWBBKSXJXBSFC-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)c(OC)c1OC 140166735 YAKXSUHZCAZJMH-PKNBQFBNSA-N 356.378 2.463 0 40 FEAB CN(C)C(=O)c1nc2c(s1)CCN(Cc1ccc3c(c1)OCO3)CC2 96187576 YZCMICHDWXJQLC-UHFFFAOYSA-N 359.451 2.174 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cnccn1)c1ccccc1O2 96156912 VINCKOJMXYQBOA-INIZCTEOSA-N 366.421 2.111 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc(OC)nn3)C2)cc1 95474602 SSFOWGRDPRSDJU-MRXNPFEDSA-N 370.453 2.069 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)c(C)o1 96230289 UIYNXBPWUMHBAK-UHFFFAOYSA-N 359.470 2.055 0 40 FEAB Cc1cc(CN2CC3(CC[C@H](CN(C)Cc4cccnc4)CO3)C2)no1 248126915 PAZQXPCEEIBSPJ-GOSISDBHSA-N 356.470 2.491 0 40 FEAB O=C(Cc1ccccc1)N1Cc2cncn2[C@H](COCC2CCOCC2)C1 247805222 AKWNCMZPSPIENJ-FQEVSTJZSA-N 369.465 2.452 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)C(=O)O)cc1 242547711 KTHITLFOFMQOCQ-ZMSDIMECSA-N 365.838 2.370 0 40 FEAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257214508 CMFNVXZAGVSBAA-SFHLNBCPSA-N 352.434 2.200 0 40 FEAB C[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 253594166 QKHKWMJAMUKHBI-LBTNJELSSA-N 352.500 2.163 0 40 FEAB O=C(NC1CCN(c2cccnn2)CC1)[C@H]1CC[C@@H](c2ccccc2)O1 585083621 QUYYRWHZZSHDOG-ZWKOTPCHSA-N 352.438 2.482 0 40 FEAB C[C@H]1CCO[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 585081219 JEMFMUIEWJIWIV-BBRMVZONSA-N 350.846 2.326 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1nccnc1C)CC2 634691982 RPBCLNNWQHSHES-INIZCTEOSA-N 357.410 2.376 0 40 FEAB COCCOc1ccccc1N1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 662795414 AIAKNTZFVAUQLK-UHFFFAOYSA-N 373.497 2.022 0 40 FEAB Cc1cc(C(=O)Nc2nncn2-c2ccccc2)ccc1N1CCNC1=O 678936587 FPPUZOLSMSVICA-UHFFFAOYSA-N 362.393 2.358 0 40 FEAB O=C1CN(C(=O)c2ncc3ccccc3c2O)CN1CCC(F)(F)F 615737676 FXRZKIGDTDVLSB-UHFFFAOYSA-N 353.300 2.135 0 40 FEAB Cc1ccccc1C[C@]1(CO)CN(Cc2ccccc2C(=O)O)CCO1 585279447 ZHBZWXCDORMHKB-OAQYLSRUSA-N 355.434 2.499 0 40 FEAB CC(=O)Nc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)ccn1 585273370 SYEOWBGSKUBORK-ROUUACIJSA-N 353.422 2.248 0 40 FEAB Cc1cc(NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)ncn1 599523358 IVIVGAPHGVLAOY-AWEZNQCLSA-N 360.483 2.818 0 40 FEAB O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 56978793 DMXRPVBEYFRQDN-OCCSQVGLSA-N 370.236 2.271 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(Cc2cccc(Br)c2)CC1 96536882 MRCIOZGSEBITRO-UHFFFAOYSA-N 368.319 2.481 0 40 FEAB Cc1nc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cs1 585610896 FVNQZMJOMVEXRH-ZIAGYGMSSA-N 355.467 2.327 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)cn1 665142566 BMNYXTYGRHMUQY-PYOKUCOHSA-N 350.463 2.407 0 40 FEAB COc1c(N2C[C](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 1560406117 VHTVBKDVBAOFJF-LBPRGKRZSA-N 370.429 2.175 0 40 FEAB COc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1 14796075 CASBDOMFCQFFJW-UHFFFAOYSA-N 354.406 2.170 0 40 FEAB O=C(NCc1ccccc1)C1CCN(c2nnnn2-c2ccccc2)CC1 18062655 DQGBHZNXQSGLGA-UHFFFAOYSA-N 362.437 2.195 0 40 FEAB Cc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)on1 19119682 RZXALFPNVIRJQK-UHFFFAOYSA-N 369.377 2.049 0 40 FEAB Cc1nn(CC(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)c(C)c1C 19556419 UXGFRIDIDNCNNK-HNNXBMFYSA-N 352.398 2.227 0 40 FEAB CC(C)c1nnc2n1N=C(CCN1C(=O)c3ccccc3C1=O)CS2 19772700 ITDMUSRSEQQBSH-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB Cc1nc(C2CCN(C3CCCC3)CC2)ncc1C(=O)N1CCOCC1 19766538 XKBCRPZTOQLXTO-UHFFFAOYSA-N 358.486 2.379 0 40 FEAB CCn1ccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)n1 652068866 QZUNGBCJXHXULY-JKSUJKDBSA-N 361.829 2.426 0 40 FEAB Cc1nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)c2cnn(C)c2n1 1888876178 ZJVHQPPXXKTXBF-UHFFFAOYSA-N 364.457 2.056 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2cccnc23)cc1F 1565555190 ADSXKDHQSKWMRP-UHFFFAOYSA-N 369.396 2.033 0 40 FEAB COc1ccc(N2C[C@H](CNC(=O)c3ccccc3OC)CC2=O)cc1 8925245 CITJYVZMJKIAEA-AWEZNQCLSA-N 354.406 2.487 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)on3)n2)cc1 44391262 MAGQLYRTTMDUKX-GFCCVEGCSA-N 354.366 2.415 0 40 FEAB O=C(c1cc(O)nc2ccccc12)N1CCC[C@@H](Oc2cnccn2)C1 225473487 AKCJZKKNRYLYGK-CYBMUJFWSA-N 350.378 2.414 0 40 FEAB CC(C)Cn1nc(N2CCN(Cc3cc(C4CC4)on3)CC2)ccc1=O 2298032360 GOVRJGMIGJQCJW-UHFFFAOYSA-N 357.458 2.087 0 40 FEAB CCCN1C(=O)c2cccc3c(S(=O)(=O)N4CCOCC4)ccc1c23 28580284 VAQWGYKNVYXWGS-UHFFFAOYSA-N 360.435 2.231 0 40 FEAB CCOc1cc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 32784441 LIGMNQFUSBRIEI-ITKZLYELSA-N 373.858 2.064 0 40 FEAB CC1(C)[C@H]2CC=C(COC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)[C@@H]1C2 102382266 HJAYXBUEHLIYJT-DWEGKCPBSA-N 355.434 2.329 0 40 FEAB Cc1cc(CS(=O)(=O)CC(=O)N(C)[C@@H]2CCCc3ccccc32)no1 52435624 SZUFBJVDCVWVPI-QGZVFWFLSA-N 362.451 2.434 0 40 FEAB S=c1n(CN2CCN(c3ncccn3)CC2)nc(C2CC2)n1C1CC1 52569333 FYKJIDLFSIETDY-UHFFFAOYSA-N 357.487 2.196 0 40 FEAB Cc1ccc([C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc2)cc1C 32904977 XWYLOJUXKXKBLA-PKOBYXMFSA-N 365.433 2.497 0 40 FEAB COc1ccc(OC)c(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)c1 32956134 HLHKKQORASLTHF-UHFFFAOYSA-N 373.800 2.263 0 40 FEAB NC(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 22688914 SJNZRKWWJWMPHU-UHFFFAOYSA-N 355.438 2.057 0 40 FEAB COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 12406173 CMLOIRPBYJGYNM-UHFFFAOYSA-N 368.389 2.198 0 40 FEAB COc1ccccc1CCC(=O)NCCn1cnc2ccccc2c1=O 61717501 MMMCUEFQISAFAQ-UHFFFAOYSA-N 351.406 2.154 0 40 FEAB CC1=C(C(N)=O)[C@H](c2ccncc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940668 NRZJXKJSIJFPMI-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB C[C@@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCOCC1 47857341 HOUDSXWLDHJFAY-INIZCTEOSA-N 374.481 2.107 0 40 FEAB Cn1nc(Br)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O 4964126 BMUAAGJRSZOPBV-UHFFFAOYSA-N 372.222 2.342 0 40 FEAB N#CCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 6896907 ZPERQHUIILTXKH-MHWRWJLKSA-N 374.356 2.420 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(Cc1cc(=O)n3ccc(C)cc3n1)C2=O 12568058 DSWTWBSNMYKZRU-UHFFFAOYSA-N 368.437 2.394 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 24817360 LTJIDDSHSRAQSX-QGZVFWFLSA-N 372.490 2.488 0 40 FEAB CC(=O)Nc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1 25339925 SHQMYIGEUJKYHD-UHFFFAOYSA-N 364.405 2.061 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1 3260111 VMLMHSQBPOWOCM-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB Cc1ccc2c(CC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)coc2c1C 58143394 WSYDFNIHTUBJBI-OAHLLOKOSA-N 364.467 2.132 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100487009 FRVHIMILJVKLLT-JKSUJKDBSA-N 359.422 2.009 0 40 FEAB CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 58218768 BBDBIDFHQMKVLK-GOEBONIOSA-N 360.458 2.104 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(F)c(F)c1 58278687 MWGSSGIEUDULFN-UHFFFAOYSA-N 352.362 2.076 0 40 FEAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)(C)C)c2=O)c1 57490211 LKFCZCWQQAVLPK-UHFFFAOYSA-N 371.462 2.437 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)n(C)n1 58210946 ZXHXDKFRVXZRFT-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB CCOCCCN1C(=O)/C(=C/c2cccc3c2OCCCO3)NC1=S 103263035 SRGMKEDKUJLQOV-OWBHPGMISA-N 362.451 2.332 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 12790696 PCMIBDDJHULDEZ-CYBMUJFWSA-N 368.430 2.177 0 40 FEAB COc1ccc(CC2CCN(C(=O)CN(C)c3cnccn3)CC2)cc1 58393659 HCGHCGAGMFCLMI-UHFFFAOYSA-N 354.454 2.403 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1nc2ccccc2n1-c1ccccc1 84572827 IBXJWQXRGJWDDK-SUMWQHHRSA-N 367.430 2.175 0 40 FEAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(SC(F)F)cc1 3337997 SFDRKBLFNCRUOJ-UHFFFAOYSA-N 354.334 2.430 0 40 FEAB Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n(N)c1=O 3310261 LEAKCUVUQTWNHY-INIZCTEOSA-N 352.419 2.377 0 40 FEAB Cc1ccc2[nH]cc(CCNC(=O)CN3C(=O)c4ccccc4C3=O)c2c1 2359641 KDIHRYDOYBDETF-UHFFFAOYSA-N 361.401 2.431 0 40 FEAB Cc1cc2cc(NC(=O)CCC3C(=O)NC(=O)NC3=O)cc(Cl)c2o1 100781838 VMSDWDFSPSRHMO-UHFFFAOYSA-N 363.757 2.096 0 40 FEAB CCCOc1cc(S(=O)(=O)N[C@@H](CC)CO)ccc1Br 11566177 FNRAXSQGVGSTEG-JTQLQIEISA-N 366.277 2.287 0 40 FEAB CCC(C)(C)C1CCC(NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 12862132 HUJBJQDMOCICRN-UHFFFAOYSA-N 359.474 2.241 0 40 FEAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 8982493 OAIYNSQDPLDWHC-UHFFFAOYSA-N 359.304 2.244 0 40 FEAB O=C(OCc1nnsc1Cl)C1CCN(C(=O)c2ccco2)CC1 24212860 UPHRPCLVRZZQEI-UHFFFAOYSA-N 355.803 2.380 0 40 FEAB COc1ccc(CNC(=O)C2CCN(c3ccc(OC)nn3)CC2)cc1 95479368 KPLDENUTKMTKJZ-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCC1CCCCC1 3520056 WIXXKTRMUANCNW-NRFANRHFSA-N 369.465 2.467 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)C2CC2)CC1 12997064 UUELZBUITSMDCF-NSHDSACASA-N 353.825 2.360 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(O)cc1)CC(O)=N2 71279815 GPVAVIOBNBIZDJ-GXTWGEPZSA-N 361.423 2.380 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1Cl 71284104 WPBKAIVPKRLXPC-OLZOCXBDSA-N 354.790 2.220 0 40 FEAB Cc1c(NC(=O)[C@H](C)OC(=O)C2CCC2)c(=O)n(-c2ccccc2)n1C 6934781 TZSNHZXEDSJYME-ZDUSSCGKSA-N 357.410 2.155 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CSC3=N[C@H]4CCCC[C@@H]4N3)nc2c1 9478034 SQDSGKHIVOCLCR-STQMWFEESA-N 372.450 2.213 0 40 FEAB CCc1nnc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)s1 7921370 DTDKXFVYEIZKTH-NSHDSACASA-N 373.438 2.205 0 40 FEAB O=C(NCCCN1CCOCC1)c1ccc(Cn2cc(Cl)cn2)cc1 27969725 JMOXEIUWIMDYOX-UHFFFAOYSA-N 362.861 2.037 0 40 FEAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306132626 LOBCSSATWOCYEZ-PZJWPPBQSA-N 367.449 2.282 0 40 FEAB C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 8884204 BELWJGWOMIYVKN-ZDUSSCGKSA-N 359.430 2.359 0 40 FEAB CS(=O)(=O)Nc1nc(CC(=O)NC2(c3ccccc3)CCC2)cs1 73524039 UCBMOJQRFXOLIJ-UHFFFAOYSA-N 365.480 2.253 0 40 FEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cn1 89333141 UYYSGQGXMSTDOY-FUHWJXTLSA-N 359.401 2.247 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]([C@@H](C)O)C2)nnn1-c1cccc2ncccc12 89556330 GSXWWRZIYCTKLK-CABCVRRESA-N 365.437 2.357 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cccc3c2OCO3)C1 548673440 RSCKAMVXSFAGBN-SFHVURJKSA-N 359.451 2.418 0 40 FEAB Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(Cc2ccco2)CCO3)cn1 306141463 VWXMRALJQUVWAV-AZUAARDMSA-N 370.453 2.322 0 40 FEAB CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C 79393306 CGCULLCINDBKGO-MSOLQXFVSA-N 361.486 2.477 0 40 FEAB COc1ccc(N2CCN(C(=O)NCc3noc4ccccc34)CC2)nc1 563374667 UUXFUFGZLUEVKP-UHFFFAOYSA-N 367.409 2.263 0 40 FEAB COC(=O)CSc1nnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 224666413 APSIFPYEDXKNCO-VMPITWQZSA-N 365.436 2.464 0 40 FEAB NC(=O)C1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1 225771061 OXPJECDKHSUFCO-UHFFFAOYSA-N 350.831 2.196 0 40 FEAB Cc1cccc(CN2CCC(NC(=O)CNC(=O)C3CCCC3)CC2)c1 48375230 XMDSFNQSJYGSHK-UHFFFAOYSA-N 357.498 2.382 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@H](N)[C@H]3C2)nnn1-c1ccc(F)c(F)c1 573566117 XHFKNGSXQBHIOT-RBOXIYTFSA-N 361.396 2.053 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CN(C)C(=O)c2cccs2)C1 48271048 SWJRAYWFSKQFQU-GJZGRUSLSA-N 351.516 2.304 0 40 FEAB CCOc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 225431857 CBWFDOKPOXFHDH-CQSZACIVSA-N 363.439 2.026 0 40 FEAB CCn1ncc(NC(=O)N2CCC(n3cnnc3O)CC2)c1C(F)(F)F 579016859 HNUZPSVNSIVXPE-UHFFFAOYSA-N 373.339 2.088 0 40 FEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1ccco1)C=C2 96221768 HHYMGDBIXDSLNT-UHFFFAOYSA-N 370.405 2.011 0 40 FEAB biogenic Cc1nc(C2CC2)oc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583621187 PNCOWSQRAXNDNW-GOEBONIOSA-N 357.458 2.407 0 40 FEAB Cc1cccc(COC[C@H]2CCOC23CN(C(=O)c2ccncc2)C3)n1 247879481 QSPRWDOTGZQAGU-QGZVFWFLSA-N 353.422 2.233 0 40 FEAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cccn1C)C2 248114235 IFQHUISPHXEZNU-MRXNPFEDSA-N 354.454 2.036 0 40 FEAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ncccc1C 257266073 MBLLSTMQAPPHAR-DGQTTZFYSA-N 373.497 2.441 0 40 FEAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257328623 XGLMNYBYZQSHEL-ZDUSSCGKSA-N 360.487 2.219 0 40 FEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)CN1CCCCC1 257278642 ODARSUTUMVGCKV-KRWDZBQOSA-N 354.454 2.461 0 40 FEAB COCC(=O)N1CC[C@@H](c2cc(-c3cccc(C(=O)O)c3)nc(C)n2)C1 257210940 BWUINNQGFJIVQR-OAHLLOKOSA-N 355.394 2.113 0 40 FEAB O=C(c1cccnn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257285738 PIOVQFYHCHHGFA-AUUYWEPGSA-N 357.385 2.458 0 40 FEAB CCn1cc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c(C)n1 624561660 MICXAEUQEPVGMK-UHFFFAOYSA-N 350.422 2.351 0 40 FEAB O=C1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)N1 652745786 JXPYZKXTDQKUDU-CYBMUJFWSA-N 356.253 2.311 0 40 FEAB C[C@@]1(C(F)F)CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 661327589 OKGGUYDFYQORBG-GUYCJALGSA-N 357.376 2.470 0 40 FEAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1c(C)noc1C 96098359 KFJJSIODIABSMI-UHFFFAOYSA-N 363.439 2.321 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575402562 CIVFFKJZVGTSFQ-OAHLLOKOSA-N 356.513 2.205 0 40 FEAB Cc1cccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)c1 585188819 WGDFJSOWHNUHFI-AWEZNQCLSA-N 359.451 2.292 0 40 FEAB Cc1nccc(N2CCN(C(=O)[C@H]3CCN(C)c4ccccc43)CC2)n1 680601704 DOQXWWSCLYQKTO-KRWDZBQOSA-N 351.454 2.057 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C 5001446 KWVPCEYTUUHIGH-SOUVJXGZSA-N 365.547 2.411 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@H](CC)c2ccccc2)NC(=O)N[C@@H]1C 5837944 PYDQGLRIIKLBND-TZMCWYRMSA-N 360.410 2.242 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)c2c(c1)OCCCO2 11214925 FPZOGPYVYFWSNI-CYBMUJFWSA-N 368.842 2.467 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)nc12 12117671 FDWVGJLZKXMPGV-KBPBESRZSA-N 355.442 2.260 0 40 FEAB O=C1N[C@@]2(Cc3ccccc31)CN(Cc1ccc(F)c(F)c1)C[C@@H]2CO 19375600 NZGORLCKXRBLQO-QRWLVFNGSA-N 358.388 2.114 0 40 FEAB CCc1ncc(CN2CCN(c3cc(C)nc([C@@H]4CCCN4)c3)CC2)cn1 19697954 WXSSHYFLVCPZPJ-IBGZPJMESA-N 366.513 2.489 0 40 FEAB CC1(C)Cc2cc(CN3CCC[C@@H]3c3nnc4n3CCNCC4)ccc2O1 19710664 JSMQVCJEJZULJG-QGZVFWFLSA-N 367.497 2.474 0 40 FEAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1Br 225632593 MHOIZEZUTWQICW-OCCSQVGLSA-N 370.243 2.171 0 40 FEAB CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)C4CCC4)CC3)c2c1 19022763 BMYTYFBGMAZIQY-UHFFFAOYSA-N 370.453 2.148 0 40 FEAB C[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1 14086303 WXXHLLJPXVPSGV-TXEJJXNPSA-N 362.289 2.332 0 40 FEAB CCc1ncnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c1F 2086988575 ZUKWMCYWWDSQLI-UHFFFAOYSA-N 365.416 2.357 0 40 FEAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2087136691 QFSPPCXRRLQNMY-MRXNPFEDSA-N 354.397 2.154 0 40 FEAB Cc1ccc2nc(SCC(=O)NCc3ccccc3Cl)nc(=O)n2c1 4503737 YDDSQRNWWYDHDC-UHFFFAOYSA-N 374.853 2.460 0 40 FEAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 11988632 RZHZWERMJHPNGT-UHFFFAOYSA-N 356.353 2.341 0 40 FEAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccs1 17170094 DGOYHJUDTNUOPY-UHFFFAOYSA-N 357.479 2.323 0 40 FEAB COC1(CNS(=O)(=O)Cc2noc3ccccc23)Cc2ccccc2C1 225721832 HYCXARMMLLZXGD-UHFFFAOYSA-N 372.446 2.431 0 40 FEAB O=C(NCCc1ccccc1F)c1cccc(N2CCCS2(=O)=O)c1 10429353 LNFZJNPDWVCIPN-UHFFFAOYSA-N 362.426 2.338 0 40 FEAB COC(=O)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 101713123 GCLOKOKNDQPUBP-CQSZACIVSA-N 353.378 2.104 0 40 FEAB CS(=O)(=O)Cc1ccc(Oc2ccc(NS(C)(=O)=O)cc2)cc1 1082628 YLBKLOPMDQPYIL-UHFFFAOYSA-N 355.437 2.395 0 40 FEAB CC(=O)OCC[C@H](C)OC(=O)CCCCC(=O)O[C@@H](C)CCOC(C)=O 4803563 DFTILXVMSQZFGY-KBPBESRZSA-N 374.430 2.317 0 40 FEAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc2ccccc2c1 24096893 ZIMGNVNXICGASN-DNVCBOLYSA-N 372.446 2.007 0 40 FEAB CCOc1ccc(N2C[C@H](C(=O)Nc3nnc(CC)s3)CC2=O)cc1 4943351 AUCIFPOBZYVEOP-LLVKDONJSA-N 360.439 2.491 0 40 FEAB Cc1ccccc1CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 7401155 JUUYZKNOYDCVSP-UHFFFAOYSA-N 357.454 2.251 0 40 FEAB C[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 106796014 DOMBBNVORIYUJO-MADCSZMMSA-N 364.204 2.089 0 40 FEAB CN(C(=O)c1cc2cc(Br)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 25676708 DFBIRJNQGQZQMX-NSHDSACASA-N 371.256 2.190 0 40 FEAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2nncs2)n1 9114206 LHHSIRHPSRKONH-UHFFFAOYSA-N 361.456 2.170 0 40 FEAB Cc1c(C(=O)N2CCN(C3CC3)CC2)nnn1-c1ccc(F)c(Cl)c1 108788725 MATCJZHJISAKJF-UHFFFAOYSA-N 363.824 2.288 0 40 FEAB Cc1nnc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 48289048 BKQYXJIESXTHRA-UHFFFAOYSA-N 372.497 2.335 0 40 FEAB O=C(CCC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F)c1ccccc1 58224162 QTIWVVMKQLQAFF-ZDUSSCGKSA-N 356.344 2.319 0 40 FEAB CCc1cc2c(=O)n(NC(=O)CCc3ccc4c(c3)OCO4)cnc2s1 10743536 NAFRITMJKSVJJN-UHFFFAOYSA-N 371.418 2.452 0 40 FEAB COc1ccc(CNC(=O)COC(=O)COc2ccc(C)cc2)cc1OC 28614209 ONGRLXQAOHBKDI-UHFFFAOYSA-N 373.405 2.251 0 40 FEAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccn2)C3)c(OC)n1 100728441 JXQGDZYMGGCTLY-GJZGRUSLSA-N 370.453 2.009 0 40 FEAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C 45521319 JTOHQJMCFAFYHB-MGPUTAFESA-N 372.421 2.412 0 40 FEAB Nn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1C(F)(F)F 2659099 JLADDGBRVGZWQV-NSHDSACASA-N 371.388 2.297 0 40 FEAB Cc1ccccc1CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 12875275 SIDANQKVDIJYMF-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB O=C(Cc1noc2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1 49251031 CCYYBLNFCPXVRU-UHFFFAOYSA-N 365.389 2.481 0 40 FEAB Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2cc(O)ccc12 4085419 VDTNAIZDHHJYFI-UHFFFAOYSA-N 367.357 2.395 0 40 FEAB biogenic CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 49679975 OKOMCCQCLQHWGP-HNNXBMFYSA-N 373.478 2.010 0 40 FEAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NC(=O)CCC(=O)NC(C)(C)C 6298358 RCUZSMLWNNYPKW-UHFFFAOYSA-N 372.425 2.449 0 40 FEAB CSCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 13985586 WCCMCQPUDWNDMH-WQLSENKSSA-N 354.428 2.341 0 40 FEAB CCc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 14267028 KPWUKQWAOIHFHW-UHFFFAOYSA-N 370.453 2.049 0 40 FEAB CC(C)(C)OC(=O)[C@@H](O)CNC(=O)c1cc(Br)ccc1F 95456537 ZWHLVQXVZVELPF-NSHDSACASA-N 362.195 2.021 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1 6882394 YWIQXKXVSXCGBV-UHFFFAOYSA-N 374.462 2.223 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2cc(OC)cc(OC)c2)c1 7184806 FHCQGKZTEOUJRV-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 7216462 OYBQEFVWLDEHKS-OAHLLOKOSA-N 359.513 2.118 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O 15842882 HBEFEPVDVHDYBI-LLVKDONJSA-N 362.382 2.391 0 40 FEAB Nc1nc(CN2C(=O)CC3(CCCCC3)C2=O)nc(Nc2ccccc2)n1 8192996 GPRWXKLUSIJICU-UHFFFAOYSA-N 366.425 2.407 0 40 FEAB Cc1ccc(NC(=O)CSc2ccccn2)cc1S(=O)(=O)N(C)C 8727290 BGCUILBLQQDGHE-UHFFFAOYSA-N 365.480 2.371 0 40 FEAB CCc1ccc(CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)s1 83825499 ZUHYOPRMRDIUSM-UHFFFAOYSA-N 357.435 2.399 0 40 FEAB O=C(/C=C/c1cccs1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 306132637 LODFGKRCWJKTRR-ISZGNANSSA-N 357.435 2.390 0 40 FEAB Cn1ncc(N2C[C@@H](O)C[C@@H]2C2CCCCC2)c(Br)c1=O 74278031 GMSGUXZJKJQVPV-NWDGAFQWSA-N 356.264 2.063 0 40 FEAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3[nH]c(=O)sc3c2)c1 72306282 PKMDVCVYMKAFQC-UHFFFAOYSA-N 356.406 2.150 0 40 FEAB O=S(=O)(c1ccccn1)N(Cc1cccc(O)c1)C1CCC(O)CC1 95975989 FKVLQJNVTIDBHP-UHFFFAOYSA-N 362.451 2.282 0 40 FEAB O=C(Cn1cnccc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 75104939 UKRMJOXOUCLFLY-ZDUSSCGKSA-N 354.391 2.276 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(Br)cc1 409376430 XZHUSBQKIZRHBB-ZAZJYDDPSA-N 352.184 2.432 0 40 FEAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 408551892 JLQSMJCHTPITKD-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB C[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 36741223 HSRVVQUOOKUHQL-KDOFPFPSSA-N 352.500 2.164 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccccc1F 72241551 SPTSVDGJFKVJMX-MSOLQXFVSA-N 360.360 2.180 0 40 FEAB CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc2n1 32069792 VPEDMSNYWVQTIS-UHFFFAOYSA-N 361.467 2.076 0 40 FEAB COCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 72378206 CGCZWIVCNPWMDJ-INIZCTEOSA-N 355.442 2.433 0 40 FEAB CCCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217629673 WKIHINFDHQWNPB-LBPRGKRZSA-N 356.444 2.054 0 40 FEAB Cc1nc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)cs1 292544002 WTYGXAMSHSJZIX-UHFFFAOYSA-N 355.471 2.248 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)c1C 223921162 LOQNOTSQHVSDLF-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C 223799238 KSBHTHCLTKYRDK-UHFFFAOYSA-N 363.391 2.354 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 44681949 KDYQSOQRMQXNII-UHFFFAOYSA-N 372.324 2.331 0 40 FEAB Cc1noc(C)c1CN1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237881 RVWUPYBTLPOLGI-FQEVSTJZSA-N 354.454 2.215 0 40 FEAB COCC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2csc(C)n2)C1 96040156 NPXLNQUAROLIAI-WBVHZDCISA-N 354.472 2.012 0 40 FEAB Cc1cc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c(C)o1 96240838 UEUHIUHHUVPWEM-KRWDZBQOSA-N 360.454 2.291 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3ccco3)C2)C1 96100152 GVRGMMWQEYLLRT-HXUWFJFHSA-N 353.422 2.372 0 40 FEAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2cncn21)c1ccccc1 247483099 JUGYMUQSHLMZDV-IBGZPJMESA-N 354.454 2.096 0 40 FEAB Cc1cc(CN2CC3(CC[C@@H](CN(C)Cc4cccnc4)CO3)C2)no1 248126918 PAZQXPCEEIBSPJ-SFHVURJKSA-N 356.470 2.491 0 40 FEAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(Cc1ccc3ccccc3n1)C2 248030584 TVNXPFCXAVXVFB-QGZVFWFLSA-N 371.506 2.400 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1cnccn1 253599829 VDOSXJNGSVPJTO-OAHLLOKOSA-N 372.494 2.258 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1 257244230 IKLPECPQHIKRHW-KRWDZBQOSA-N 354.410 2.099 0 40 FEAB COCc1ccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)cc1 257242336 IBYRETYJKAKFGV-SFHVURJKSA-N 355.438 2.405 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCO2)c1 257231936 GIUACOOHUQYABH-KRWDZBQOSA-N 353.422 2.294 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 260841202 KLBWIRATVLPPGA-RVSPLBMKSA-N 360.479 2.453 0 40 FEAB COc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)c(OC)c1 36589921 MQVKAHLAVYHQCS-OAHLLOKOSA-N 369.377 2.433 0 40 FEAB biogenic CN1C(=O)C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)[C@@H]1c1ccccc1 604419037 OASJJQSFURNHQB-WBMJQRKESA-N 356.451 2.325 0 40 FEAB COc1ccccc1-c1noc([C@H](C)NC(=O)N2C[C@@H]3CC[C@H](C2)O3)n1 608738101 AZNUUYJYPFHLNJ-RWMBFGLXSA-N 358.398 2.379 0 40 FEAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 623268100 FMMAMXDAUAYLID-AUUYWEPGSA-N 371.481 2.291 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(-c3nnc(C)o3)cc2)C1 644119772 DXVVHNJQLBXDPJ-CABCVRRESA-N 353.382 2.370 0 40 FEAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC3(CCc4ccccc4C3)CC2)CN1 657212390 KCBASQRISMKCQK-ROUUACIJSA-N 356.466 2.237 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 659369987 QBCQHZOSTQADBN-GOSISDBHSA-N 374.462 2.312 0 40 FEAB Cc1ccc(CNC(=O)Cn2nc(C)c([C@@H]3CCCC(=O)N3)c2C)cc1 664097854 YGEWHVBDYWBNDP-KRWDZBQOSA-N 354.454 2.466 0 40 FEAB Cc1ccc(N2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)nn1 67965554 IDNWWCZKPFPMKE-UHFFFAOYSA-N 364.453 2.129 0 40 FEAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCC2(CC1)OCCO2 96122604 FDYOQRSNWUCFGT-HNNXBMFYSA-N 357.410 2.162 0 40 FEAB O=C(c1ccc2nc[nH]c2c1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585273710 XQJLVYPQMURDPM-LJQANCHMSA-N 355.369 2.358 0 40 FEAB C[C@@H]1Cc2nnc(COCC3CCC3)n2CCN1C(=O)c1ccncc1 585098754 YZDSHXUSKYUXPU-CQSZACIVSA-N 355.442 2.077 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099056 GZOKSHFGHJLXHY-PKOBYXMFSA-N 353.422 2.024 0 40 FEAB CCn1nnc(C)c1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685941711 ACZKIWHPUYOCAO-UGSOOPFHSA-N 356.430 2.061 0 40 FEAB O=C1CC[C@@H](c2nc(CNC3CCOCC3)no2)N1Cc1ccccc1F 1775964119 SJEHKNUXXJYIPE-INIZCTEOSA-N 374.416 2.341 0 40 FEAB biogenic,in-vitro CN(C)c1nccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1 301537538 JEOILAIHGFXBRH-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[C@@H](c2cccs2)NS(=O)(=O)N1C 12129987 BTFMLJBHIORIJA-YIYPIFLZSA-N 371.528 2.117 0 40 FEAB COCCN(C(=O)c1cccnc1)c1nc2c(s1)CCc1c-2cnn1C 12146071 HMEGJGTZUIPFEY-UHFFFAOYSA-N 369.450 2.330 0 40 FEAB O=C1NCC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)Oc2ccccc21 12225347 AEPNNWAXRSLOCJ-UHFFFAOYSA-N 367.405 2.349 0 40 FEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN(C(C)C)C(C)C)c1 12731844 FZEYWAIPQRUHPD-UHFFFAOYSA-N 369.531 2.142 0 40 FEAB COc1cc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 16527423 LFYUHFAKNDSODW-PJQZNRQZSA-N 355.774 2.174 0 40 FEAB CC1CCC(NC(=O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CC1 19496014 LZIFEQAGUUNKLE-UHFFFAOYSA-N 374.481 2.394 0 40 FEAB NC(=O)c1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 679813356 VISBIOSODWQHSO-UHFFFAOYSA-N 357.385 2.141 0 40 FEAB COc1cc(CC(=O)NCC(=O)OCc2ccccc2)cc(OC)c1OC 18233820 XNBKPBCFQQVLKD-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB COc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc(OC)c1OC 7053852 RSIBKDDMAFJMLH-UHFFFAOYSA-N 367.379 2.211 0 40 FEAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 1848356117 LVFWKPRFBYWWRA-KRWDZBQOSA-N 350.426 2.471 0 40 FEAB Cn1nc2c(c1CN1CCC[C@@H](C(=O)N3CCSCC3)C1)CCCC2 1889108757 BIZCUUAXGLICDH-OAHLLOKOSA-N 362.543 2.086 0 40 FEAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4cc(C)nn4C)C3)C2)n1 2056224236 MORWGKPLHXPEIN-HXUWFJFHSA-N 368.485 2.350 0 40 FEAB O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 1614946900 HDXRPDRVLGDDIE-CQSZACIVSA-N 355.442 2.117 0 40 FEAB CCN(C)C(=O)c1cnn2c1CN(C(=O)/C=C/c1cccs1)CCC2 1565544058 BJXAAZYLKAJSFA-BQYQJAHWSA-N 358.467 2.482 0 40 FEAB COc1ccc2cc(CCNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1 8584004 BCEBOCOSEAHAGH-UHFFFAOYSA-N 366.373 2.238 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 2055793286 LDBMMZQKJQCFFB-QGZVFWFLSA-N 369.469 2.390 0 40 FEAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(O)CC3)c(O)n2n1 23157461 WLWTXSXUYFQJLW-AWEZNQCLSA-N 362.430 2.490 0 40 FEAB CCOc1ccc(CN2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 21476147 VXMAJYYUWKUJRQ-UHFFFAOYSA-N 365.437 2.315 0 40 FEAB CSc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3)CC2=O)cc1 40051463 PNZDLFMTOHKITG-OAHLLOKOSA-N 361.511 2.364 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1OC 101362037 GRVYDKKIBNQDHN-DOTOQJQBSA-N 370.336 2.135 0 40 FEAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(-n2cnnn2)cc1 21466280 PRQNSUDVKGOSBY-UHFFFAOYSA-N 352.379 2.309 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1C 32906688 IHGRRCKLQNQWGC-MRXNPFEDSA-N 363.410 2.423 0 40 FEAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc2c(c1)OCCCO2 33087489 JQAHCVJYOCKLIY-UHFFFAOYSA-N 374.466 2.358 0 40 FEAB C[C@H]1C[C@@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C(=O)O1 53020562 BMOJIQKHADVVML-IINYFYTJSA-N 352.818 2.400 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 41815522 AOAVROFOBWFLPK-LBPRGKRZSA-N 359.407 2.158 0 40 FEAB COC(=O)c1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1 933978 RTBBNZQPNCXTLY-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)oc2c1 79044337 IWELZTGGKPDKMI-AWEZNQCLSA-N 351.428 2.279 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccco3)CC2)c1C 23257763 IJFCUBLCTWCZEI-HNNXBMFYSA-N 373.453 2.400 0 40 FEAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC(=O)O 959173 OITDLGFSXSDKJB-LBPRGKRZSA-N 367.357 2.428 0 40 FEAB biogenic O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCO[C@H]2CCC[C@H]21 54449114 AMBXBQOKAPEZOE-MOPGFXCFSA-N 359.470 2.347 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351947 NOPZUOUJLVMSKT-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB O=C(NCc1ccco1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 4544740 ATNQUSLOURRREF-KTVHVWHNSA-N 370.449 2.486 0 40 FEAB Cc1ccc(CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 12535490 TXHQEMOAUVWXKU-UHFFFAOYSA-N 371.462 2.206 0 40 FEAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1C(F)(F)F 8987660 XGYRAJFDLHKRRM-UHFFFAOYSA-N 352.378 2.241 0 40 FEAB CSc1ccc([C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)cc1 57035517 MDWLEUFWRPTWMJ-NSHDSACASA-N 356.455 2.388 0 40 FEAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)NC2CCCCC2)cc1 9926925 IADAUSCDMOQFOK-KRWDZBQOSA-N 372.469 2.166 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 100344140 RLZOQDXGOUUIHZ-OAGGEKHMSA-N 350.484 2.374 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1 57521127 YRQILIPLGMCPPE-UHFFFAOYSA-N 371.422 2.249 0 40 FEAB CN(C(=O)c1cnn2cccnc12)c1nc2c(s1)[C@H]1CC[C@H](C2)N1C 100114666 RKRXRBKIPLIMHS-ZWNOBZJWSA-N 354.439 2.154 0 40 FEAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)NCc1ccco1 58173326 DKWZGOFALUCJRE-CQSZACIVSA-N 351.447 2.275 0 40 FEAB COCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765569 BYLFKPMUXBBUPF-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB O=C(NCc1ccccc1-n1cccn1)C1CCN(c2ncccn2)CC1 58202036 OQPAHOYMNLOPMR-UHFFFAOYSA-N 362.437 2.195 0 40 FEAB CCN(CC)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1 58251143 LQNSASNFVCZISG-QGZVFWFLSA-N 371.485 2.485 0 40 FEAB CCc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12764784 BUQVBSQSBHDXBV-AWEZNQCLSA-N 366.512 2.246 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)C1=COCCO1 12737520 KCFMVACJQIFIGQ-SNVBAGLBSA-N 355.774 2.415 0 40 FEAB Cc1cn2c(=O)c(C(=O)Nc3nnc([C@@H]4CCCO4)s3)cnc2s1 95480219 DBXXRGRPNAXZMX-VIFPVBQESA-N 363.424 2.020 0 40 FEAB CN1CCN(C(=O)NCC(=O)N2CCc3ccccc32)Cc2ccccc21 69309798 DWZVERYMLTXLKO-UHFFFAOYSA-N 364.449 2.237 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)OCC(=O)N4)cn2)n1 24587749 AFGKMGFIRFMEPC-UHFFFAOYSA-N 363.377 2.467 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@H](c2cc3nc(C)c(C)c(O)n3n2)C1 100137692 NJYUXUFLCRJLAP-LBPRGKRZSA-N 372.454 2.231 0 40 FEAB COc1ccccc1OCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 12887491 SZVMOHOZMPQJQZ-UHFFFAOYSA-N 369.377 2.122 0 40 FEAB CCOC(=O)c1cccc(OC[C@H](O)Cn2cnc3sccc3c2=O)c1 12979002 BYPNRJJUMIJCDW-CYBMUJFWSA-N 374.418 2.075 0 40 FEAB COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)O)cc1OC 13263135 MHWUTEGNRHQNQI-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCC1(c2ccccc2)CC1 63241378 CZXSQQVCHUWRQL-UHFFFAOYSA-N 358.463 2.412 0 40 FEAB O=C(O[C@H]1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 6438232 GBQLSBAZEMYALU-LBPRGKRZSA-N 367.404 2.021 0 40 FEAB CCCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCOC3=O)nnc12 4509864 LSBGXABSQYYUGZ-CYBMUJFWSA-N 358.423 2.252 0 40 FEAB CCN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4504978 HQGXGPLMVNPEJV-HNNXBMFYSA-N 353.484 2.399 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9447457 MXZBMDLZLPQRMU-ZDUSSCGKSA-N 370.421 2.154 0 40 FEAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CCOC)C1=O 409136786 VMNSZJVIZHVGCN-GXDHUFHOSA-N 365.407 2.311 0 40 FEAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7494271 XXSGFLGKJVTGHK-AWEZNQCLSA-N 373.478 2.422 0 40 FEAB O=C(COC(=O)c1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 7699037 QMUVHLHFTLCVHH-UHFFFAOYSA-N 362.363 2.024 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1 8028267 SRZOAQOUBREBAU-IBGZPJMESA-N 367.449 2.368 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 69038589 QPETXUYBENCNEO-GOSISDBHSA-N 353.422 2.342 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCc1ccc(N2CCCC2=O)cc1 8217046 XXODZTBVYVCJCO-UHFFFAOYSA-N 354.435 2.382 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2cccnc2)C(C)C)cc1 17168847 VCRKVDUVFNARJP-KRWDZBQOSA-N 361.467 2.009 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cc1 17304923 VIIZVSMCAWJFIE-INIZCTEOSA-N 350.440 2.207 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 8771935 XDQZBXAENXDWFM-KGLIPLIRSA-N 358.442 2.240 0 40 FEAB Cc1c(C(=O)N2CCC(O)CC2)c(=O)oc2ccc(Br)cc12 84067717 AVGXYKPGEWHRQD-UHFFFAOYSA-N 366.211 2.461 0 40 FEAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCC2(CCCCCC2)C1 75968266 RFHCUPSFOHHEGV-HZPDHXFCSA-N 356.532 2.115 0 40 FEAB Cc1ccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)cc1Cl 21718368 OKFVBJDDNYKJJJ-UHFFFAOYSA-N 371.828 2.370 0 40 FEAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)cc(O)n1 506078007 XTEKTBWCMIHLTE-ZFWWWQNUSA-N 364.446 2.203 0 40 FEAB CCOc1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)O)C3=O)o2)cc1 408595919 XTNLIOKWVSWPAJ-NTEUORMPSA-N 356.334 2.323 0 40 FEAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c1OC 39998527 FLYCHJXCDRIEKM-CQSZACIVSA-N 350.440 2.448 0 40 FEAB CNC(=O)c1nn(C)cc1NC(=O)c1sc(Cc2ccccc2)nc1C 32610469 YZZHGWDNNAVCMT-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c1 72595222 QKFYBDVPWRQXHZ-UHFFFAOYSA-N 366.483 2.494 0 40 FEAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2CC(=O)N(C)C)c1 72377014 XITJLNFSAVBURB-KRWDZBQOSA-N 369.469 2.350 0 40 FEAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218653601 LKTKXNZPVNDZGW-OKZBNKHCSA-N 364.898 2.498 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21 30947005 KGFIPXMYKDDPTP-SFHVURJKSA-N 372.446 2.193 0 40 FEAB CC1(C)[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCC3)cc2)[C@H]1C(=O)O 71288562 NOTODOMATRSAND-CVEARBPZSA-N 359.426 2.016 0 40 FEAB Cc1csc(NC2CCN(S(=O)(=O)c3cncc(F)c3)CC2)n1 329893487 ATANKDYBFHATKP-UHFFFAOYSA-N 356.448 2.251 0 40 FEAB C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccc2c(c1)OCO2 75155447 NYCLJXQLMXACCN-KRWDZBQOSA-N 357.391 2.058 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COC)c2)CC1 224688927 KUMLIFPIARREGI-UHFFFAOYSA-N 350.415 2.146 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cnnc2)c1 49548759 BWWIGAOOGZXCIL-UHFFFAOYSA-N 374.404 2.046 0 40 FEAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccc2F)CC1 225707318 LWSYSQFTUUJCFN-MRXNPFEDSA-N 371.412 2.351 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)c1 226263753 JTHAODIZHRASNN-UHFFFAOYSA-N 370.453 2.290 0 40 FEAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108157 HJNYPCKSJCGFLL-QFBILLFUSA-N 358.413 2.321 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCCC1)CN(C(=O)c1ccnnc1)C2 96044959 RSWAYXLWFOMSMK-MRXNPFEDSA-N 355.442 2.157 0 40 FEAB Cc1nc(CN2CCOC[C@]3(CN(Cc4ccoc4)CCO3)C2)cs1 96049807 TWTCRMRBRMMVPS-SFHVURJKSA-N 363.483 2.148 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)NCc1ccccc1)C2 96227034 FFJGSHYIYKVMSM-RXVVDRJESA-N 364.449 2.320 0 40 FEAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)Cc1ccccc1)COC3 96112583 FLANQSKZFFJTFU-HNNXBMFYSA-N 351.406 2.475 0 40 FEAB biogenic,in-vitro CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccoc1)CC2 96199880 RCDDPGUBFZHNNL-INIZCTEOSA-N 356.426 2.024 0 40 FEAB CC1CCN(c2ccc(CNC(=O)N3CCNC[C@@H]3C(C)C)cn2)CC1 529283965 CEXFCPOTYYKOTM-GOSISDBHSA-N 359.518 2.457 0 40 FEAB Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3COc2ccccn2)cc(C)n1 247864493 IAGPRVQGGZYDTF-KRWDZBQOSA-N 353.422 2.404 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)on1 257333040 XZVMBGSVMANKLJ-CYBMUJFWSA-N 355.398 2.293 0 40 FEAB CN(C)C(=O)[C@H](OC(=O)CCNC(=O)c1ccccc1)c1ccccc1 26458977 MVVOIMLKDZZVSK-GOSISDBHSA-N 354.406 2.179 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2nccn2C)C1 257337973 YVGMTEKUCVQRRK-CQSZACIVSA-N 366.425 2.187 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 252516528 TXHSFSZKJDXHRF-BFYDXBDKSA-N 365.838 2.370 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl 257302263 SCEXRSBQTBPXSW-PBHICJAKSA-N 351.878 2.317 0 40 FEAB CCn1cc(-c2ccnc3cc(C(=O)NC[C@]4(C)CCCO4)nn23)c(C)n1 257296850 REQFRURSFRYTIT-IBGZPJMESA-N 368.441 2.220 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 250959433 UIGKKFMCTRZNIE-PGUXBMHVSA-N 358.410 2.036 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(OC(F)F)cn1 623003091 IBPNMYBVMULHSL-CQSZACIVSA-N 368.361 2.083 0 40 FEAB Cc1noc2ncnc(N(C)C[C@@H]3CCCN(C)[C@H]3c3cncn3C)c12 671472204 HQJVJUVYBYQIKR-XJKSGUPXSA-N 355.446 2.179 0 40 FEAB CN1C(=O)CC[C@H](C(=O)N2CCC(O)(C(F)F)CC2)[C@H]1c1ccccc1 681758415 BKUOWEPFMBBEIG-GOEBONIOSA-N 366.408 2.215 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cn(-c2cccnc2)nn1 575619709 XPUYWCQPOGHOPW-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB CCc1oncc1C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575405223 XJBKUOLMSSQBIM-AWEZNQCLSA-N 366.483 2.380 0 40 FEAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(C)nc(O)n2)C1 585277376 SZNXCNQNFSJKPC-IBGZPJMESA-N 357.410 2.109 0 40 FEAB COc1cc(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)on1 585101555 HFJGISXIOZFABT-IBGZPJMESA-N 355.394 2.261 0 40 FEAB CN(C)C(=O)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595832 NERNHTIXPWFSCO-AOIWGVFYSA-N 362.445 2.322 0 40 FEAB CN(C(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)C1CCCCC1 12146226 YFEPHAWFEZPGLJ-GOSISDBHSA-N 369.465 2.429 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 13613062 PKHVGUWBQRCLQE-HNNXBMFYSA-N 373.478 2.277 0 40 FEAB CC(C)(C)C(=O)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19365924 QZUIQRACPQHJJM-RTBURBONSA-N 360.498 2.376 0 40 FEAB in-vitro O=C(C[C@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406948 YRTKBHNEXJIKMG-RFQIPJPRSA-N 369.416 2.076 0 40 FEAB CCOC(=O)[C@@H](NCc1cc(-c2ccccc2)cn2nnnc12)C(C)C 19529446 JEQMTARIPYVQQN-KRWDZBQOSA-N 353.426 2.469 0 40 FEAB O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)C1CCCC1 19696136 VENMUESEAICFLH-UHFFFAOYSA-N 371.485 2.136 0 40 FEAB COc1ccccc1N1CCN(Cc2cccnc2N(C)C)[C@@H](C)C1=O 19715726 YDWVOIREKMFIRD-HNNXBMFYSA-N 354.454 2.394 0 40 FEAB O=C(N[C@H]1CCSC1=O)c1cnc(OC2CCOCC2)c(Cl)c1 238874586 NSPDNEACRGMGPM-LBPRGKRZSA-N 356.831 2.055 0 40 FEAB O=C(CN1CCCC[C@H]2CN(C(=O)CCc3ccccc3)C[C@H]21)NC1CC1 19370871 DTEPBQUBENRMKF-AZUAARDMSA-N 369.509 2.211 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 1848353845 HTUDSGJLMNPBOH-INIZCTEOSA-N 355.394 2.108 0 40 FEAB O=C([C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCSCC1 1889096864 IGQBWVRAEPCCKD-LLVKDONJSA-N 360.405 2.287 0 40 FEAB CN(C)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 1889108755 BEIBAPGYTQLZEV-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3ncc(Br)cc3F)C2)nc1 2086968292 XEQCXLRCPHLGIA-SNVBAGLBSA-N 369.194 2.440 0 40 FEAB O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2 1565550349 ZSUORUGSZHXTPX-UHFFFAOYSA-N 363.421 2.187 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570762 VYNFUESVAHEPOE-GFCCVEGCSA-N 357.801 2.399 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 2055839549 JGIKLCQPHDRGHN-VQIMIIECSA-N 354.410 2.023 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(F)cc1 22767281 OJDMHYXQVOSPKL-INIZCTEOSA-N 370.471 2.239 0 40 FEAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NCc1cccnc1 38498027 HURCETSLDPADCV-UHFFFAOYSA-N 351.362 2.367 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)NCCCc1cnc2ncnn2c1 225645657 YHOVEYMFNGFNLT-UHFFFAOYSA-N 367.438 2.043 0 40 FEAB O=C(NCC[C@@H](CCO)c1cccs1)C(=O)NCc1cccs1 575607385 LDTQELXIQGCXJU-LBPRGKRZSA-N 352.481 2.098 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 23428992 UBLOTQLOBHMJRM-CVEARBPZSA-N 350.484 2.394 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc1 30437571 VUWDXOHAEZZUIB-UHFFFAOYSA-N 371.412 2.289 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)NCCSCc2ccco2)c1 31252835 IUVJVBFMYXIHFK-UHFFFAOYSA-N 353.465 2.487 0 40 FEAB CCN(CCNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1C 40112702 NYFOUBSXSBJYNK-UHFFFAOYSA-N 352.442 2.306 0 40 FEAB O=C(c1ccccc1OC(F)F)N1CCC(CN2CCOCC2)CC1 40117599 VENIOEQATSMIFE-UHFFFAOYSA-N 354.397 2.472 0 40 FEAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(CN2CCCCC2=O)c1 50473552 AFMVZTRFUNLMQT-AWEZNQCLSA-N 366.483 2.351 0 40 FEAB Cc1cccc2nc(C(=O)NCCC(=O)N3CCc4sccc4C3)cn12 52023070 PVPXAYPIOYXCQM-UHFFFAOYSA-N 368.462 2.409 0 40 FEAB C[C@@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102235555 VFZCHUJIRVNHLG-LMOYCYGVSA-N 373.482 2.401 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(C(=O)N3CCCC3)CC2)c1 32894939 QHRXWIXGLAWCBZ-KRWDZBQOSA-N 358.486 2.464 0 40 FEAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc[nH]c1=O 32914732 KGKKPWVKIXEWED-UHFFFAOYSA-N 353.422 2.321 0 40 FEAB O=S1(=O)CC[C@@H](Cc2nnc(SC[C@@H]3CC3(Cl)Cl)o2)C1 22327640 ZOLHRFLKWJPURD-YUMQZZPRSA-N 357.284 2.333 0 40 FEAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@@H]1CCCO1 3006279 QGMUFVOIAATFRP-HNNXBMFYSA-N 361.829 2.249 0 40 FEAB CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 814543 OATWWEBIIGQVOY-UHFFFAOYSA-N 369.446 2.172 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1 809607 AKPVNSLTKAADSE-AWEZNQCLSA-N 354.472 2.011 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 1582842 JFJTYCMSYTVGGW-UHFFFAOYSA-N 366.782 2.443 0 40 FEAB C[C@]12NC(=S)N[C@H](c3ccccc3O1)[C@H]2C(=O)NCc1ccccc1 4103763 XTZQYSHCZWZFLX-FCEWJHQRSA-N 353.447 2.247 0 40 FEAB COc1cc([C@]2(O)c3cc4c(cc3CCN2C)OCO4)cc(OC)c1OC 4782880 RTTXTEBVRWYZRR-FQEVSTJZSA-N 373.405 2.122 0 40 FEAB CCCCOc1cccc(C(=O)NC(=S)Nc2nnn(CCC)n2)c1 6592696 ZJFRWGXIKRQXTD-UHFFFAOYSA-N 362.459 2.389 0 40 FEAB O=C(Nc1ncnc2nc[nH]c12)c1cc(-c2ccc3c(c2)OCCO3)on1 72427635 FGHRHVVARNRXAV-UHFFFAOYSA-N 364.321 2.031 0 40 FEAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OC 6959047 HXRKDROUJIBURM-UXBLZVDNSA-N 355.188 2.379 0 40 FEAB CC[C@@H](CO)NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540578 CZNFMKLNZYRYHI-HNNXBMFYSA-N 361.394 2.380 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 25283262 JPBSORZRWUTSKA-VBKZILBWSA-N 373.453 2.371 0 40 FEAB COc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Cl)cc2)cc1 8476343 AJPWBOYSCZCKOQ-UHFFFAOYSA-N 372.812 2.318 0 40 FEAB C[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 84637357 OSAZRYBQVZHRJV-HZMBPMFUSA-N 359.253 2.485 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O 57485828 SYVLLJNZRAMRAK-UHFFFAOYSA-N 363.483 2.426 0 40 FEAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 10031028 HTNFTWXOJLPFSX-NSHDSACASA-N 366.464 2.236 0 40 FEAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCC2)CC1 10036142 AAUPUKOTSPMKCK-MRXNPFEDSA-N 364.877 2.136 0 40 FEAB CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 27401075 HVBUMCFETUIUQS-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc2[nH]nnc2c1 58216519 IXEQKCBOPZKKQE-LLVKDONJSA-N 357.364 2.492 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCc3ccccc3C2)cc1 58247457 BQRPTROFAPRSMT-GOSISDBHSA-N 370.474 2.166 0 40 FEAB Cc1ccc2nc(COC(=O)c3cccc(C[S@@](C)=O)c3)cc(=O)n2c1 10777928 GUZUOEXZCDPLJU-SANMLTNESA-N 370.430 2.238 0 40 FEAB N=C(NC1=N[C@@H](CC(=O)Nc2ccccc2F)C(O)=N1)Nc1ccccc1 22607366 UUMFREOVIAUSSB-AWEZNQCLSA-N 368.372 2.485 0 40 FEAB O=C1COc2ccc(S(=O)(=O)Oc3cccc4cccnc34)cc2N1 29219951 IQGMNOPTUHWIFE-UHFFFAOYSA-N 356.359 2.333 0 40 FEAB CN(c1cccnn1)C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 95462316 GRIFXENLVNGUMC-UHFFFAOYSA-N 369.425 2.381 0 40 FEAB COc1cccc(COCC(=O)NC[C@@H](CC(C)C)N2CCOCC2)c1 46776812 BTYJOEYBZNASKC-GOSISDBHSA-N 364.486 2.075 0 40 FEAB CN(C)CCOc1cc(CNC(=O)CCc2nc3ccccc3[nH]2)ccn1 95447611 CYDXFRMLFSNZIJ-UHFFFAOYSA-N 367.453 2.147 0 40 FEAB COc1ccc2nc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)ccc2c1 12867050 QBOZLFMPWRQFJZ-LJQANCHMSA-N 361.401 2.296 0 40 FEAB C[C@H](N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(C)(C)C 12947195 XHBKSPUWDISEPX-LBPRGKRZSA-N 351.472 2.008 0 40 FEAB COc1ccc(Br)cc1C1N2CC3(C)CN1CC(C)(C2)C3O 19320167 RSKMYVCCEFEPDP-UHFFFAOYSA-N 367.287 2.475 0 40 FEAB biogenic COc1ccc(/C=C2\NC(=S)N(C[C@H]3CCCO3)C2=O)c(OC)c1C 13119189 MYYDUXJSCGEXLY-CKXDQPNJSA-N 362.451 2.249 0 40 FEAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 13345269 MPBWPGOKNKLPKZ-FPYGCLRLSA-N 361.375 2.356 0 40 FEAB COc1cc(-c2nnc(CSc3nncn3C)o2)cc(OC)c1OC 5118695 NOYPMRRCSWMGDW-UHFFFAOYSA-N 363.399 2.183 0 40 FEAB COc1cc2ncn(CC(=O)NC3CCC(C)CC3)c(=O)c2cc1OC 14094469 QKMRDUAAJVYEQF-UHFFFAOYSA-N 359.426 2.109 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)NCCc3ccccc3)cc2C1=O 5426075 LRAPRZWJCXFYEI-UHFFFAOYSA-N 366.417 2.292 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1OC 6560769 PIUVLQCPQIWTMQ-HNNXBMFYSA-N 363.483 2.365 0 40 FEAB O=C1O[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)Cc2ccccc21 6649377 UFNHSDDJMZBFST-QGZVFWFLSA-N 350.374 2.299 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c(Cl)c1 6679560 NCJSPUKLSJBFEY-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 14709914 NRCLDVOOZVBNGP-UHFFFAOYSA-N 361.423 2.173 0 40 FEAB COc1cccc(CN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)c1 6938866 FVKXKGCJFADNMJ-KRWDZBQOSA-N 359.422 2.433 0 40 FEAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 5925745 DXEITIIDRZFWET-UHFFFAOYSA-N 366.464 2.272 0 40 FEAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)Cc1ccccc1 15335938 ZWGLEEXOIYCSSA-UHFFFAOYSA-N 351.424 2.332 0 40 FEAB C[C@H](C(=O)NC1CCCC1)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046640 IZEOJBQVJDBIEG-SJKOYZFVSA-N 368.437 2.078 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)NCCc3ccccc3)c(=O)c2cc1OC 17823262 INCVKJVTJIVAQL-UHFFFAOYSA-N 368.389 2.223 0 40 FEAB biogenic Cc1nc(C)n(C[C@@H]2CCCN(c3cncc(-n4ccnc4C)n3)C2)n1 89718010 VEEOXJQOKKEIMP-MRXNPFEDSA-N 352.446 2.096 0 40 FEAB Cc1ccnc(CN(C)CC(=O)Nc2ccc(Br)cn2)n1 89701901 ZUZFXIINHQEGBU-UHFFFAOYSA-N 350.220 2.013 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@@H](CNC(=O)c3ccccc3)C2)cn1 306130062 IVMRQJGDKJIUON-IBGZPJMESA-N 364.453 2.086 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCc3ccco3)cn2)cc1 408535100 XWFFLDPWPFELGJ-UHFFFAOYSA-N 372.406 2.109 0 40 FEAB CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O 34164363 QRMYFVCKXAQEDN-UFOPBENGSA-N 372.417 2.418 0 40 FEAB O=C(C[C@@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395690 KIZQGALGNLQHDN-MELADBBJSA-N 369.416 2.076 0 40 FEAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)[nH]n1 72361485 WEVCWGVPYOMIAT-HOCLYGCPSA-N 369.473 2.366 0 40 FEAB COC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2OC)s1 224604243 FVOVKWSXPDBCSU-BQYQJAHWSA-N 365.436 2.464 0 40 FEAB C[C@@H]1C[C@]2(CCO1)CN(S(=O)(=O)CC1CC(F)(F)C1)C[C@@H](C)O2 578293629 DDKUQTZKCSHBBF-YRGRVCCFSA-N 353.431 2.020 0 40 FEAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1ccc(C)cc1)C2 96251097 UOFLRSROXIAZKR-WIYYLYMNSA-N 365.481 2.002 0 40 FEAB c1cncc(CNc2ccnc([C@H]3COCCN3C3CCOCC3)n2)c1 96218036 LDBMFOLJRSWTAU-QGZVFWFLSA-N 355.442 2.036 0 40 FEAB O=C(C1CCSCC1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247858821 LSRKCAIQDTVUBY-KRWDZBQOSA-N 369.527 2.333 0 40 FEAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cc[nH]n2)CC1 257217800 DAQZARPXNACNKN-IBGZPJMESA-N 360.433 2.038 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3Cc3cscn3)ccnc12 257341319 ZJVQVKFWZUUAFF-CQSZACIVSA-N 356.455 2.225 0 40 FEAB Cc1noc(C)c1-c1cnc(C2CCN(C(=O)CCC(=O)O)CC2)cn1 257340773 ZHMXBOBRORYFJJ-UHFFFAOYSA-N 358.398 2.319 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@@H]1CCCS(=O)(=O)C1 629621203 JESGVOXKAUCAEA-LLVKDONJSA-N 372.849 2.444 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)O[C@H]2CCC[C@@H](C)C2)o1 1775957118 DPFWJABCEQRNFZ-QKGCVVFFSA-N 351.447 2.250 0 40 FEAB COC(C)(C)c1noc([C@@H]2CCc3nnn(C4CCN(C)CC4)c3C2)n1 1775960511 PIXDEDHGDQDOJM-GFCCVEGCSA-N 360.462 2.082 0 40 FEAB COc1c(Br)ccc(F)c1CN[C@@H](Cc1cc[nH]n1)C(=O)O 1777250269 NCVRMHOBPJUHTO-LBPRGKRZSA-N 372.194 2.105 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](COCc2cccnc2)C1 575406599 PXMABOUZTNQAJZ-SFHVURJKSA-N 364.405 2.398 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)C3=CCCCC3)CC2)C1 585104437 ZZDGIJCWTLKPPQ-SFHVURJKSA-N 350.503 2.320 0 40 FEAB Cc1nc([C@H]2OCC[C@H]2CNC(=O)Cc2cc(F)c(C)cc2F)n[nH]1 685940119 RVCCNFJENBKCOF-ZBEGNZNMSA-N 350.369 2.136 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160676 SINWPEYBSZTGFZ-LJQANCHMSA-N 373.384 2.160 0 40 FEAB CCn1ncc(C(=O)N2CCC[C@H]2c2nc(-c3ccncc3)n[nH]2)c1C 12144686 ISNORZVUQOJCDX-HNNXBMFYSA-N 351.414 2.369 0 40 FEAB C[C@@H]1CN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@@H]1O 12241284 ZVGKDHDIGHVFJB-DYVFJYSZSA-N 351.410 2.396 0 40 FEAB O=C(CCc1ccccc1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12258145 OMPNMVFAQOADOO-UHFFFAOYSA-N 361.405 2.157 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15568540 DBXXMVAKBYQGTL-UHFFFAOYSA-N 358.785 2.268 0 40 FEAB COc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cn1 16263513 XCUYVOQSFCXMAA-UHFFFAOYSA-N 355.442 2.274 0 40 FEAB CCn1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccs4)no3)C2)n1 19577989 YRLVSYOYSQGBLL-LBPRGKRZSA-N 359.411 2.228 0 40 FEAB O=C(O)c1ccc(OC[C@H](O)CN2CCc3c(F)cc(F)cc3C2)cc1 652435050 KMUIYENTJSNESM-OAHLLOKOSA-N 363.360 2.461 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4sccc34)C[C@@H]2C(=O)N1c1ccccc1 1888890320 XOWUCGFVTGCRFU-OKILXGFUSA-N 350.403 2.317 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223302 FFULDMNLWZCBSU-IBGZPJMESA-N 354.458 2.041 0 40 FEAB O=C([C@@H]1CCOC1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 1614938560 UQFVYKGWEBPVAG-MRXNPFEDSA-N 360.429 2.346 0 40 FEAB Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)no1 4328118 IZLSZAXDXREEHR-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940781 SRLCUYXZKXWYJU-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB COc1ccc(CCS(=O)(=O)NCC2CCN(C(C)C)CC2)cc1 11693590 ADCDHOGWKMKPIR-UHFFFAOYSA-N 354.516 2.278 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CCCNS(=O)(=O)c1ccccc1 11738457 WSZMHGWGXZEBBT-UHFFFAOYSA-N 369.446 2.279 0 40 FEAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccccc1F)N1CCCC1 11846860 PLZWCAWNGVFUDH-MRXNPFEDSA-N 351.447 2.280 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccoc2)C1 2055751152 NARHCMOXJBYYLU-HXUWFJFHSA-N 371.437 2.129 0 40 FEAB COc1cccc(CN2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)c1 2055814249 XYOQAPAZGMHURM-OAQYLSRUSA-N 366.465 2.013 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)N[C@H](c3ccccc3)C(C)(C)C)cnc21 40090453 BKNWLUPVQPMOHL-QGZVFWFLSA-N 367.453 2.424 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(N3CCNC3=O)c2)n1 40120445 DJVHSEIYYYLREV-CYBMUJFWSA-N 370.457 2.487 0 40 FEAB COc1ccc(CCN(C)C(=O)CNC(=O)C2CCCCC2)cc1OC 30780848 MXERUAQMGDLPJB-UHFFFAOYSA-N 362.470 2.401 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 40563535 UYXGSIUAYLKXES-UHFFFAOYSA-N 350.378 2.453 0 40 FEAB COc1ccc([C@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)N(C)C)cc1 32200449 YYHJRAWFDIILMB-SFHVURJKSA-N 367.453 2.318 0 40 FEAB Cc1cccn2c(=O)cc(CN3CCN(c4ccc(O)cc4)CC3)nc12 32510442 QAYLSARKEYHFGG-UHFFFAOYSA-N 350.422 2.031 0 40 FEAB CCCOc1ccc(OCCOC(=O)c2nc3nccc(C)n3n2)cc1 21233010 HJZCLNOLJYKRPE-UHFFFAOYSA-N 356.382 2.457 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc(Cl)cc21 32776711 RSDCFGLELMLILJ-INIZCTEOSA-N 371.824 2.378 0 40 FEAB Cc1cc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)no1 32893413 ZPLNIEJVAQNJHI-UHFFFAOYSA-N 373.438 2.475 0 40 FEAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1nnc2n1CCCCC2 32902614 QMDVBQOMCVYUDC-UHFFFAOYSA-N 350.426 2.049 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCCOc1ccccc1)C2=O 22581586 YECICGAZZLFCEY-UHFFFAOYSA-N 352.390 2.176 0 40 FEAB O=C(O)Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 2801276 MVNBHBGXTKBLMX-UHFFFAOYSA-N 369.406 2.020 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 798698 LAPTYCGWWJYMAN-UHFFFAOYSA-N 360.435 2.489 0 40 FEAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)Nc1ccc(F)cc1 22912688 GIPLPFAIHULBCV-IBGZPJMESA-N 357.429 2.115 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)c1 22916611 IOVHWSOJMFYLAW-OAHLLOKOSA-N 373.453 2.442 0 40 FEAB COc1cc(CNC[C@H]2CN(C)CCO2)ccc1OCc1ccncc1 105471332 AIBRWMIDHXEICP-SFHVURJKSA-N 357.454 2.089 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 4931842 CIUOPXGIDIXDQG-UHFFFAOYSA-N 370.192 2.284 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1 12521069 GCNFXSDUPHAHCQ-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB O=C(NC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1)C1CC1 57170806 VJBDLSSZWMDXNV-IBGZPJMESA-N 355.482 2.168 0 40 FEAB CCN(CC)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426608 GXXKUGZMXXSSON-UHFFFAOYSA-N 351.472 2.139 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)sc1C 57621554 ZVAYEZFDRHBEJY-UHFFFAOYSA-N 350.444 2.295 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1 58223688 PRMUYQNAUBOYTN-QMMMGPOBSA-N 363.365 2.090 0 40 FEAB CCOc1cccc([C@@H](C)NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 58277548 WBIJDAGAMGEXLD-DOMZBBRYSA-N 357.497 2.183 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O 57478863 PNJXWBOLJOLMNY-CHWSQXEVSA-N 363.483 2.139 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cc(F)cc(F)c1 10507208 OJZQLQNPSVSJGL-ZDUSSCGKSA-N 355.362 2.425 0 40 FEAB O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2cccs2)cc1 28254634 HOZAYVGNXBXGOM-UHFFFAOYSA-N 350.421 2.198 0 40 FEAB C[C@@H](NC(=O)COc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 10967929 HFJNAECQAHEMDG-GFCCVEGCSA-N 351.399 2.485 0 40 FEAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)CN2CSCC2=O)cc1 48375070 WAAUPIRDGDKHSV-AWEZNQCLSA-N 350.484 2.444 0 40 FEAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)Nc1ccccc1F 11666350 VKRZCSZQNDZJCT-UHFFFAOYSA-N 363.352 2.336 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cs1 46495292 BONAQWRBNIYLDE-KGLIPLIRSA-N 351.472 2.450 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 12870255 KHGFCZSYMRHYOC-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 46743325 FBBBIVRDVNLQTC-UHFFFAOYSA-N 357.458 2.255 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NCC(C)C)o2)cc1 3524559 RYYHNYKUCSMYBZ-UHFFFAOYSA-N 364.427 2.319 0 40 FEAB C[C@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 12975903 BHHYODMOLHNQFL-XCLFUZPHSA-N 355.438 2.242 0 40 FEAB CCCN(C(=O)c1ccc(NC(=O)C2CC2)s1)[C@H]1CCS(=O)(=O)C1 12910821 XSTBOCIMVHPEII-LBPRGKRZSA-N 370.496 2.136 0 40 FEAB O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 13436968 NJBPMIXCZZSWLH-QGZVFWFLSA-N 355.346 2.340 0 40 FEAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NC1CCCC1 6114380 MNHRNKLEJRYQQC-AWEZNQCLSA-N 358.438 2.413 0 40 FEAB CC(=O)Nc1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 4350189 MWFRWPWGFJSWOL-LJQANCHMSA-N 354.406 2.340 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4548808 RDCPUXAWLUTMGS-TVNQGELYSA-N 351.380 2.389 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCCc3cccs3)c(Cl)cc21 5429043 CKKQQQVBTDNLFF-UHFFFAOYSA-N 372.855 2.367 0 40 FEAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9314328 NCIGDYMNDBKQJH-UHFFFAOYSA-N 354.428 2.034 0 40 FEAB C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 5603908 SPYJGTPISHWQEL-GFCCVEGCSA-N 373.906 2.261 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc3ccccc3n2)cc1 7196725 QSBYRBZCPHPGMN-UHFFFAOYSA-N 372.402 2.118 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1Cc2ccccc2O1 15581244 JCOJGBJWEBTVLS-QGZVFWFLSA-N 360.435 2.188 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(-n2cccn2)cc1 7254394 WAMRQZLRGXWZGD-UHFFFAOYSA-N 361.357 2.212 0 40 FEAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)c1 306128535 HDBBZHAFYIAGAP-IAGOWNOFSA-N 365.481 2.173 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 7667291 PDDRFNCYRKCVSN-CYBMUJFWSA-N 374.462 2.336 0 40 FEAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 9595732 FHGNOGSUGISTRC-YCRPNKLZSA-N 369.465 2.419 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1NC(C)=O 7700692 AJMIMJUTTHTNBK-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB CCCn1c(N)c(-c2csc(Cc3ccccc3)n2)c(=O)n(C)c1=O 8042400 OISHYFBHDOLAMT-UHFFFAOYSA-N 356.451 2.254 0 40 FEAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)N4CCCC4)C[C@@H]23)n1 306135850 PCRBRMKTYZGAQF-WDSOQIARSA-N 359.470 2.459 0 40 FEAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NC(C)C)C3=O)ccc2c1 8724323 DTXYMJZFLWEGDU-FQEVSTJZSA-N 369.421 2.140 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8769130 MMZPIQMMKGSMIQ-CYBMUJFWSA-N 370.421 2.154 0 40 FEAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCCN(C)CC2)nc1 8755792 PMYXLXGKSDRVDC-UHFFFAOYSA-N 354.520 2.031 0 40 FEAB CCOc1ccc(NC(=O)[C@H](C)N2C[C@H](N(C)C)[C@H](SC)C2)cc1 95446842 ZDPQOUYLMDNDRN-RRQGHBQHSA-N 351.516 2.390 0 40 FEAB O=C(OCc1csc(Nc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 95469953 NSTHLXVIFXDMEY-NSHDSACASA-N 352.437 2.365 0 40 FEAB CNC(=O)Cc1noc(CN2CCCCC[C@@H]2c2ccc(OC)cc2)n1 75104967 QIPRGOCOHLOEDM-MRXNPFEDSA-N 358.442 2.484 0 40 FEAB O=C(Nc1nncc(-c2ccccc2)n1)N[C@@H]1CCCCC12OCCO2 89851271 SBLYGBYRUMDVPC-OAHLLOKOSA-N 355.398 2.346 0 40 FEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCN1CCC[C@@H](C)C1 76280904 SQYWSHIRCJDPTC-OXQOHEQNSA-N 357.498 2.371 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1F 20456505 AZALRBBUAHGHCC-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1C 408558444 JBEUTZVTOJOCBD-GFCCVEGCSA-N 366.414 2.448 0 40 FEAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 1907678 YKWVIQPJNXTICW-VOJFVSQTSA-N 361.394 2.184 0 40 FEAB biogenic CCc1ccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OC)cc1 31618355 VVZVEPCKXKDGPI-UHFFFAOYSA-N 361.423 2.158 0 40 FEAB O=C(NC1CCCCC1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408977777 YBZRXBMVOYFWTI-UHFFFAOYSA-N 350.378 2.340 0 40 FEAB CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn3cc(C)cnc23)CC1 72354295 RETGEKCGCZZZHD-GOSISDBHSA-N 369.469 2.291 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCCc1cnn(-c2ccccc2)c1 40145292 FYPBGCHWEBKHQM-OAHLLOKOSA-N 354.454 2.226 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)CC)s1 225768873 VQMZXIGYDBYCDD-UHFFFAOYSA-N 356.429 2.086 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96073753 MEWUPKFFARRCPN-AUUYWEPGSA-N 358.417 2.435 0 40 FEAB Cc1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)CC3CC3)C2)no1 247884724 CXZYPUBKHZMWBD-MRXNPFEDSA-N 357.458 2.118 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 245333716 ABCMHGZYYZULNK-FHIRATQRSA-N 366.483 2.155 0 40 FEAB CN(CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1ccccn1 257245531 IPYBMVSRNWRNBQ-GOSISDBHSA-N 353.470 2.084 0 40 FEAB CC(=O)NC1(C(=O)OCc2cn3c(C)cc(C)nc3n2)CCC(C)CC1 64263649 SUWJRJWPFMHQTF-UHFFFAOYSA-N 358.442 2.474 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1ncccc1C 257274934 NNGNFXGXACPCGU-MRXNPFEDSA-N 353.426 2.102 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3cccnn3)C2)ncn1 257343666 ZTXRYAZYBLOHEP-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1nonc1CC(=O)N1CCC[C@@H]1c1cncc(-c2c(C)noc2C)n1 257262188 LKMHQAAQBOIMAS-MRXNPFEDSA-N 368.397 2.346 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1 663148627 TXPDIHJXAYKXJY-LJQANCHMSA-N 366.417 2.244 0 40 FEAB CCOc1ccc(CNC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1F 664013609 PEAUPBYGABNAQG-OAHLLOKOSA-N 363.433 2.378 0 40 FEAB CN1C[C@@H](NCc2conc2Cc2ccccc2)[C@H](c2cncn2C)C1 1775960026 NUIAJLGWQFICRI-IEBWSBKVSA-N 351.454 2.186 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1 1633282097 UZRDPTLDZYSJQO-UHFFFAOYSA-N 358.442 2.077 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2nnn(CC3CCCC3)c2C)C1 644121211 BIBIEWFHPXJNOB-CABCVRRESA-N 358.446 2.102 0 40 FEAB COc1ncccc1NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644315018 JDWYDBHUGMZPRX-HXUWFJFHSA-N 355.438 2.446 0 40 FEAB Cc1cccc2nc(CCNC(=O)c3cccn3C3CCNCC3)cn12 647098606 VKVCUBNVNTUVBK-UHFFFAOYSA-N 351.454 2.341 0 40 FEAB CO[C@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Cc1ccc(C)cc1 585280224 CZBHATOAMAUTKM-MOPGFXCFSA-N 358.482 2.414 0 40 FEAB COC(=O)C1=NO[C@H](C(=O)OCc2csc(-c3ccsc3)n2)C1 75607312 HTPOLMXORHREND-NSHDSACASA-N 352.393 2.233 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc([C@H](C)O)cc1)C2=O 95373538 FLYYMVMKEGIGMX-AWEZNQCLSA-N 366.417 2.351 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160579 ZSPZCPDPDKUTFJ-FQEVSTJZSA-N 372.444 2.266 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)CN(S(C)(=O)=O)C(C)(C)C2 1615191800 KQBNNJHIYFJJDQ-UHFFFAOYSA-N 357.545 2.478 0 40 FEAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccccc1)N(C)C 12784148 SICXXMXWVQNCGY-SFHVURJKSA-N 369.465 2.234 0 40 FEAB CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 19533040 VNRINMIPRKXHCR-INIZCTEOSA-N 366.465 2.080 0 40 FEAB CN1C(=O)COc2ccc(NC(=O)[C@@H](c3ccc(F)cc3)N(C)C)cc21 19590973 ZSWZALAZZRVLJK-GOSISDBHSA-N 357.385 2.422 0 40 FEAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(Cc1ccc3[nH]ccc3c1)C2 19707845 AZIOSEWNTZNNRO-SFHVURJKSA-N 364.453 2.459 0 40 FEAB O=C1[C@H]2CN(c3ncnc(C4CC4)c3F)C[C@@H]2C(=O)N1Cc1ccccc1 1888879198 KBQLDWPYUAWCNA-GJZGRUSLSA-N 366.396 2.115 0 40 FEAB Cc1cc(N2CCN(c3ncnc4ccsc34)CC2)nc(N(C)C)n1 1889139256 WRYAJIHYJRZTBC-UHFFFAOYSA-N 355.471 2.182 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](Oc2ccncc2)C1 240122558 WCWFGLZOGJPGFZ-MRXNPFEDSA-N 355.419 2.472 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846766 YGKLHFURZXTQOS-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)o1 1614938746 PYVNQSDZNAGWEW-IBGZPJMESA-N 368.393 2.373 0 40 FEAB CCCCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007601 YDVJHXBVHKPSGK-UHFFFAOYSA-N 355.438 2.363 0 40 FEAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1cccc(S(C)(=O)=O)c1 4770490 UBROCQQHKGHPST-SWLSCSKDSA-N 367.471 2.049 0 40 FEAB C[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)C[C@H](C)O1 5154868 KZJROJHBMUNGHZ-STQMWFEESA-N 359.451 2.165 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)NCc3ccccc3)CC2=O)cc1OC 5202080 DIXKEKAFJVUSSW-OAHLLOKOSA-N 369.421 2.309 0 40 FEAB CCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12010117 XRNQTKBECCXPQL-UHFFFAOYSA-N 353.382 2.443 0 40 FEAB CCc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 50554900 MQKAVHHQBWQJFR-NSHDSACASA-N 367.496 2.495 0 40 FEAB O=C(NCc1nncn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1F 41912333 HJPDHZDEOJANFK-UHFFFAOYSA-N 373.775 2.315 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CN(C)C(=O)c1ccco1 22872643 SYFLIVFNKZDCTI-UHFFFAOYSA-N 366.421 2.255 0 40 FEAB CC(=O)N(C)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 47368455 XLMODPUURWFXKQ-UHFFFAOYSA-N 350.378 2.018 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1nc2ccccc2n1-c1ccccc1 84572832 IBXJWQXRGJWDDK-CXAGYDPISA-N 367.430 2.175 0 40 FEAB CCCOc1ccccc1OCC(=O)Nc1cccc(-n2cnnn2)c1 23681838 OEEQYWDUKOKSIL-UHFFFAOYSA-N 353.382 2.469 0 40 FEAB C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)NC[C@H]4CCCO4)c(O)n1c23 4326520 HCRRRCLFVWQSHL-ZWNOBZJWSA-N 360.385 2.262 0 40 FEAB COc1cccc(NC(=S)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 6822656 UCKZADNMASWBAC-LLVKDONJSA-N 365.480 2.390 0 40 FEAB CCCCn1c(N)c(N(CCC)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O 7723776 HMBRCSULVSSVNI-UHFFFAOYSA-N 358.442 2.284 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C1 25380836 MPWRPZGQOWMCBU-DZGCQCFKSA-N 366.483 2.304 0 40 FEAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCCC1 8560413 JVNQJTYWHCNULI-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)c1)NC[C@@H]1COc2ccccc2O1 26303235 GLVXRTJFDIJINZ-MRXNPFEDSA-N 368.437 2.321 0 40 FEAB Cn1ccnc1[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 12604271 ZYTCPGSVXKCMEY-QZTJIDSGSA-N 361.401 2.407 0 40 FEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cn2)C1=O 58283058 LXDWQPNPFAUJGP-OAHLLOKOSA-N 364.814 2.202 0 40 FEAB NC(=O)[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 58223189 YPKJEAOEEXOCNK-INIZCTEOSA-N 354.797 2.482 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](C)NC(=O)c3ccoc3)cn2)n1 48230748 KFFPXRABFMKEDJ-ZDUSSCGKSA-N 353.382 2.234 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C)c1nc(C3CCCCC3)no1)CC2 89740859 MZYHQAOOABZPLN-FZMZJTMJSA-N 358.446 2.457 0 40 FEAB O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc[nH]c2=O)CCCC1 89836510 ALAUCTGYPZDMPT-UHFFFAOYSA-N 354.410 2.126 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)OC 2415698 LLLPBMAXXYTAJB-CJNGLKHVSA-N 351.422 2.245 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCc1nc2ccccc2s1 2625379 KABMFGKZXJSIHJ-LLVKDONJSA-N 363.439 2.396 0 40 FEAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)NC(N)=O)s1 2619328 FRXYLAFOEWYDKD-QMMMGPOBSA-N 367.456 2.356 0 40 FEAB Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2cccs2)c1 10384202 IPJRQZCPKZGCKQ-CQSZACIVSA-N 357.435 2.026 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 10515275 AVPFDNAIHRPCOA-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)OCCO2 89834876 JERDWRKMGALIND-VQTJNVASSA-N 368.477 2.430 0 40 FEAB COc1cccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12998055 LQOQAPOCNIAEHN-UHFFFAOYSA-N 352.390 2.274 0 40 FEAB CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccccc1 3625927 SZSREAMHDWKYCJ-HXUWFJFHSA-N 359.470 2.383 0 40 FEAB C[C@H](O)c1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 84651533 UNCFANUJQYWXPF-ZDUSSCGKSA-N 356.447 2.495 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3ccccc32)cc1 71280093 GAHUJXUWBQCSTN-UHFFFAOYSA-N 367.405 2.391 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC=C(c2ccc(F)cc2)CC1 9497900 YLYPSCIBOYFLGK-UHFFFAOYSA-N 371.412 2.306 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1OC 7053988 SLKYEDKCIXIQEX-UHFFFAOYSA-N 350.396 2.463 0 40 FEAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)c1 7452648 FAYVKEIOJZXDOK-CYBMUJFWSA-N 355.394 2.399 0 40 FEAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc(F)cc3)c(=O)c12 7552693 GUZRNBSSCNGDCN-UHFFFAOYSA-N 358.325 2.497 0 40 FEAB CC(C)C[C@@H]1C[C@@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC(=O)N1 95468863 NBPYFINBSKRCFL-NUJGCVRESA-N 366.502 2.114 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n1 7654315 XJXAQEZEYAULTN-LLVKDONJSA-N 366.487 2.362 0 40 FEAB CSc1ccccc1NC(=O)CN(C)C(=O)CC[C@]1(C)CCC(=O)N1 95457377 QCPVINPCMXLKSV-SFHVURJKSA-N 363.483 2.254 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 69038591 QPETXUYBENCNEO-SFHVURJKSA-N 353.422 2.342 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccccc1F)C2=O 8272914 KMXGTEHUBDZYOZ-UHFFFAOYSA-N 361.417 2.285 0 40 FEAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)NC1CC1 8776588 MBQVQUQYVDVDNO-QMMMGPOBSA-N 361.452 2.413 0 40 FEAB COc1ccc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1 9883105 PEXAVEPKEBWHLH-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccoc5)CC4)nccn23)cn1 306144816 ZPGXTXXDOPXEEE-UHFFFAOYSA-N 363.425 2.045 0 40 FEAB CCN(CC)[C@H](C(=O)N1CCO[C@@H](CO)C1)c1cccc(C(F)(F)F)c1 532869147 VQHULMKHCADTPC-CVEARBPZSA-N 374.403 2.308 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 62602551 FQKUCGHZTHBEAG-GOSISDBHSA-N 374.462 2.277 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)CC1 222644718 OMQBEMFSJOYLAV-UHFFFAOYSA-N 368.484 2.120 0 40 FEAB Cc1nc(NC2CCN(c3ccccc3)CC2)sc1S(N)(=O)=O 570026748 ZRHAYZXQRNRUEY-UHFFFAOYSA-N 352.485 2.180 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cnccn3)c(C(F)(F)F)c2)CC1 44796591 RPKLIOXDRXKNHX-UHFFFAOYSA-N 365.359 2.500 0 40 FEAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)OC 223705855 RSGWILOTOPCVCS-IRXDYDNUSA-N 358.467 2.439 0 40 FEAB CCc1ccc(OCCNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 225166445 YIFPBNYPHKDCSV-UHFFFAOYSA-N 363.435 2.393 0 40 FEAB Cc1cncc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)c1 96108217 XARPVFLBEPRZBF-ZWKOTPCHSA-N 357.479 2.425 0 40 FEAB C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccncc2)cc1 578039622 FKZMOEQKOATHFB-HNNXBMFYSA-N 374.462 2.310 0 40 FEAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(Cc1ccoc1)C2 96050475 RLJOCZYQVNBDDK-SFHVURJKSA-N 359.451 2.181 0 40 FEAB COCC(=O)NCC[C@H]1CCOC12CN(Cc1ccccc1Cl)C2 247859594 VSAMZUBRIIAWAR-HNNXBMFYSA-N 352.862 2.084 0 40 FEAB COc1cccc2c1OC1(CCN(CCC(N)=O)CC1)[C@H]1CCCO[C@H]21 257335515 YKMLZHANOUSABO-MAUKXSAKSA-N 360.454 2.265 0 40 FEAB Cc1ncsc1-c1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)ccn1 257316238 VESZOGLVGHFIOL-UHFFFAOYSA-N 358.467 2.454 0 40 FEAB CN(C(=O)c1ccc(CCN)cc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257213761 CIZJRYFIKSXDTK-AABGKKOBSA-N 354.450 2.231 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 374154852 AXVWVOSPALBGPQ-WCQYABFASA-N 358.398 2.065 0 40 FEAB CCOC(=O)CCC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678288 WNKVHBAYSQFIGM-UHFFFAOYSA-N 357.410 2.343 0 40 FEAB COc1cccc(OC(F)(F)F)c1NC(=O)N1C[C@H](OC)[C@H](OC)C1 640701311 XTSNAOCFLLBYAO-TXEJJXNPSA-N 364.320 2.471 0 40 FEAB COC[C@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)[C@H]1CCCO1 668302974 VVVSFWSFQOHRPC-QWHCGFSZSA-N 372.215 2.071 0 40 FEAB COCc1nocc1CN1CCC(=O)N(C[C@H]2CCCC2(F)F)C1=O 1775997099 VQHRLGHHKDUNRL-GFCCVEGCSA-N 357.357 2.411 0 40 FEAB C[C@@H](NC(=O)c1ccc(C(=O)O)cn1)C1CCN(CC(F)(F)F)CC1 647741585 VTUUVJYGMVZRCW-SNVBAGLBSA-N 359.348 2.172 0 40 FEAB O=S(=O)(N1CC2(C[C@H](OCc3ccccn3)CS2)C1)C(F)(F)F 575403037 HVKGWEUYTXZSAM-NSHDSACASA-N 368.402 2.008 0 40 FEAB CN(CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1cccnc1 585270743 AKLKAFAXSOTZID-PMACEKPBSA-N 353.466 2.108 0 40 FEAB COc1ncc(C(=O)N2CC[C@@](COc3ccccc3C)(OC)C2)cn1 585275527 CGHCSHWOHQSOOH-LJQANCHMSA-N 357.410 2.104 0 40 FEAB COC(=O)NCC(=O)Nc1nnc(SCc2ccc(C)cc2)s1 54914108 RNYARXXVCOUASG-UHFFFAOYSA-N 352.441 2.433 0 40 FEAB O=C1CCC[C@H](CN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)N1 683938858 TWEOBNUKMJKMHY-LLVKDONJSA-N 351.332 2.060 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCNC3)CCO2)ccc1F 662509805 PFFIJXXRFBYRRA-YOEHRIQHSA-N 358.417 2.148 0 40 FEAB CN(C)c1nccc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)n1 574182429 PGDBNQIMZSIIDU-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCCC3)nc21 12080847 WTOYUAGJCSOGBU-UHFFFAOYSA-N 367.409 2.264 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc21)n1nc(-c2ccco2)cc(N)c1=O 12181507 AHAIYKNMTCJJEN-GFCCVEGCSA-N 350.378 2.236 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3)CC2)c1 14162076 PZPVQAWGGQYTRA-UHFFFAOYSA-N 353.422 2.234 0 40 FEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccnc3)n2)cc1 15674700 ZCXOSZYNQFQWLV-WBVHZDCISA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro CC(C)CNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3503398 RMGJOIKOGNMMBR-UHFFFAOYSA-N 362.213 2.214 0 40 FEAB CC(C)c1nc(N2CCN(C(=O)COc3ccccc3)CC2)nc(O)c1F 1888864470 YYDCFWIGPLGLRD-UHFFFAOYSA-N 374.416 2.172 0 40 FEAB CCn1cnc2c(N3CCN(c4ncnc(C(C)C)c4F)CC3)ncnc21 1888890685 BHPSRODMMJLKGB-UHFFFAOYSA-N 370.436 2.225 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)n1 1888906609 GEUZHVSXIWDGDS-UGSOOPFHSA-N 351.414 2.137 0 40 FEAB O=C1C[C@H](c2nnc(S)n2C[C@@H]2CCCO2)CN1Cc1ccccc1 1889110011 XRDDFFPPXPZVDE-GJZGRUSLSA-N 358.467 2.262 0 40 FEAB CCCCNC(=O)CCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 12415868 KGLQPVBGNYKWDW-UHFFFAOYSA-N 363.439 2.152 0 40 FEAB CCc1ccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cn1 2055796015 KSLNXSCCXUIOKN-SFHVURJKSA-N 371.481 2.039 0 40 FEAB CN1CCN([C@H](CNC(=O)COc2ccccc2)c2ccsc2)CC1 22765428 UVVLQDDYZMOOJO-GOSISDBHSA-N 359.495 2.232 0 40 FEAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3F)C2)n1 585389713 KHAQUOJBISWPAH-GFCCVEGCSA-N 355.410 2.408 0 40 FEAB CCN1CCN(C(=O)Nc2ccccc2I)CC1 40095972 XNVPLMHAVZKZBR-UHFFFAOYSA-N 359.211 2.461 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccncc1 32732251 VJGPRHUSSIBUPS-UHFFFAOYSA-N 373.356 2.408 0 40 FEAB Cc1ccc(-c2cc(CSCc3cc(=O)n(C)c(=O)n3C)on2)cc1 32923834 ZAGDGKUNINTHHH-UHFFFAOYSA-N 357.435 2.481 0 40 FEAB O=C(Cn1nc2ccccn2c1=O)OCc1csc(-c2ccsc2)n1 32908119 HEJJTMUMFKNNBJ-UHFFFAOYSA-N 372.431 2.424 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)Cn1ccnc1 32912134 VQZHAGNBINSSIF-CJNGLKHVSA-N 362.861 2.496 0 40 FEAB COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-n3cccn3)nc2)n1 52778945 FITRYALLYJKHJQ-UHFFFAOYSA-N 361.365 2.313 0 40 FEAB CCOC(=O)c1ccoc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8924715 UBSGNWNPNFPSDS-IBGZPJMESA-N 370.361 2.186 0 40 FEAB O=C(NCCCn1ccccc1=O)NNc1ccc(OC(F)(F)F)cc1 78535159 YBHNJQGZEFXSSP-UHFFFAOYSA-N 370.331 2.463 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cc1 1608628 KMBCGVPVLJYLRE-UHFFFAOYSA-N 358.463 2.203 0 40 FEAB Cc1cc(=O)[nH]cc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 79104580 ZYFLOXHOJHNVAO-MRXNPFEDSA-N 369.465 2.313 0 40 FEAB COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cn1 54218801 MPBDYZOAEXIUQQ-HNNXBMFYSA-N 360.414 2.187 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3514591 XMKXARXIBZLKPZ-UHFFFAOYSA-N 351.457 2.446 0 40 FEAB CC(C)(CNC(=O)Cc1ccc(Br)cc1)N1CCOCC1 23508636 UIKHMAIGKRBKAF-UHFFFAOYSA-N 355.276 2.219 0 40 FEAB COc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccn1 24439179 JBAQFAGUVTZOLD-KRWDZBQOSA-N 365.433 2.248 0 40 FEAB CCc1nn2c(O)cc([C@@H]3CCN(C(=O)c4cscn4)C3)nc2c1C 100147041 IPFCMLMIBBQUPD-LLVKDONJSA-N 357.439 2.392 0 40 FEAB Cc1c(C(=O)NCc2nnc3n2CCC3)cnn1-c1cccc(Cl)c1 24861198 YLDAPSZGSPMWCP-UHFFFAOYSA-N 356.817 2.302 0 40 FEAB Cc1ccccc1OCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 56139324 HIXMNFSATKFQRU-UHFFFAOYSA-N 374.462 2.479 0 40 FEAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccc(C(F)(F)F)nc21 26129271 PIKJNCSSPDYXET-UHFFFAOYSA-N 353.275 2.301 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2O)CC1 57327014 ARTXJMMAQWHTLT-UHFFFAOYSA-N 367.449 2.351 0 40 FEAB CCN1CCN(C(=S)NC(=O)c2cccc(Br)c2)CC1 57683659 MVWRFKCTIHDVHJ-UHFFFAOYSA-N 356.289 2.101 0 40 FEAB COc1cccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 27028089 BXOSNBBJKVUTQI-UHFFFAOYSA-N 373.434 2.228 0 40 FEAB CC(C)c1noc(CCCC(=O)Nc2cccc(-c3nnnn3C)c2)n1 57992835 DVUUKEAVLWUBFW-UHFFFAOYSA-N 355.402 2.345 0 40 FEAB COc1ccc(OC[C@@H](O)CSc2nnc(C(F)(F)F)n2C)cc1 58171148 BVCUBJOBNMEORD-SECBINFHSA-N 363.361 2.375 0 40 FEAB CCCCCNC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252212 JZSBIXXDDLMJOI-UHFFFAOYSA-N 372.487 2.410 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 58341591 JURSYOMDPKBLQH-KDOFPFPSSA-N 370.405 2.101 0 40 FEAB CCc1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1 2247407 DVEKPSJGRWQGCB-YBEGLDIGSA-N 355.488 2.417 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 12887988 DPRXHUMDWAOGHW-GFCCVEGCSA-N 358.369 2.204 0 40 FEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1c(F)cccc1F 12870861 JAGRLKIDJGTCQI-UHFFFAOYSA-N 365.405 2.423 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cnccn1 96999023 NLSFRVHYAOPOAU-LBPRGKRZSA-N 361.243 2.495 0 40 FEAB COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 6153767 UEUQRDKKSGZIMQ-UHFFFAOYSA-N 352.346 2.379 0 40 FEAB Cc1cc(C)n2c(SCc3cc(=O)n4c(C)csc4n3)nnc2n1 5213418 WXTLXVGNLTVBBI-UHFFFAOYSA-N 358.452 2.411 0 40 FEAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-n1cccc1 4518496 VTNUFPAXLQHYQG-UHFFFAOYSA-N 357.395 2.159 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)NCc2cccs2)cc1 6887283 KXRRYZSWEWWFAP-RMKNXTFCSA-N 359.403 2.408 0 40 FEAB COc1ccc(Cl)cc1N1C(=O)/C(=C\NCCO)c2ccccc2C1=O 5894708 PYZRGBGKIRWWKA-PTNGSMBKSA-N 372.808 2.458 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cccs1 15360291 WCGRFSXIYOMKBU-UHFFFAOYSA-N 352.481 2.405 0 40 FEAB CCCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)n[nH]c1=O 7476278 VACFFZSLGASTSK-LLVKDONJSA-N 350.444 2.499 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3=O)cc2)no1 7447820 DSBJQHWQRXIQNU-LBPRGKRZSA-N 357.366 2.294 0 40 FEAB COc1ccccc1C1(CNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CCOCC1 84317754 RZZRTIUCHCSXLA-SJORKVTESA-N 369.465 2.397 0 40 FEAB CN1CCC[C@H](N(C)CC(=O)N[C@@H](c2ccccc2)c2nccs2)C1 95446735 WOIZCILJJSARIQ-WMZOPIPTSA-N 358.511 2.375 0 40 FEAB COc1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c(OC)c1 8485565 XGURMUPAAZFOKZ-UHFFFAOYSA-N 357.341 2.192 0 40 FEAB CC1CCN(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 19909059 VXLVLZQHVDLCFW-UHFFFAOYSA-N 357.907 2.439 0 40 FEAB O=C(CCC(=O)N1CCC[C@H]1CCCO)N1CCC(c2ccccc2)=N1 95444557 KZFWWKULURFGER-KRWDZBQOSA-N 357.454 2.167 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 408602692 ISHRTVSOEPFLOJ-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB CCC[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704849 UIVIFUZBCZBVIC-ZDUSSCGKSA-N 370.471 2.266 0 40 FEAB O=S1(=O)CCC(O)(CN2CCC([C@H](F)c3ccccc3F)CC2)CC1 511127477 VSVPQHIWRYDLTH-KRWDZBQOSA-N 373.465 2.488 0 40 FEAB O=C(NC1CCCCC1)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 35347835 ZPSLHJJMIIQEEF-FQEVSTJZSA-N 369.509 2.388 0 40 FEAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 306136806 QDVWBUHLIMKARX-UHFFFAOYSA-N 369.469 2.240 0 40 FEAB Cc1nc2ccccc2c(=O)n1CCC(=O)NCCN1CCCC[C@@H]1C 32931444 KEOCWNRNFOJZFB-HNNXBMFYSA-N 356.470 2.086 0 40 FEAB C[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373070 UESQDFYMSNYBDQ-SJORKVTESA-N 372.513 2.018 0 40 FEAB Cc1cc(Br)c(C)c(S(=O)(=O)N2CCN(C)CC2)c1C 72414520 GEWWLTRJFWXDEC-UHFFFAOYSA-N 361.305 2.310 0 40 FEAB O=C(NCc1cccs1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225637746 CKCIGGNMLQGARQ-AWEZNQCLSA-N 359.407 2.267 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)Cc1ccccc1Cl 223665766 QLASBWDRIRDIED-XJKCOSOUSA-N 370.902 2.406 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccccc2C)cc1 224343647 KTAISKWAXCSTQK-UHFFFAOYSA-N 363.435 2.280 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1 225404767 ZZMKBLAKBDDPQG-INIZCTEOSA-N 351.410 2.089 0 40 FEAB CC(C)(C)c1cccc(OCCCN2C(=O)N[C@@]3(CCCNC3)C2=O)c1 576751883 QUTPAMYAXYOWOJ-HXUWFJFHSA-N 359.470 2.427 0 40 FEAB O=C(CCOCC(F)F)N(Cc1nccs1)[C@@H]1CC12CCNCC2 577179305 UTADIURCJNSKTF-GFCCVEGCSA-N 359.442 2.286 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 96062449 TXYHWVBLMLBYQZ-GOSISDBHSA-N 361.467 2.409 0 40 FEAB Cc1ccc2ncc(C(=O)N3CCCC[C@H]3c3nnc(CN(C)C)o3)n2c1 583622146 SHTJBZNWSFQDTQ-AWEZNQCLSA-N 368.441 2.455 0 40 FEAB COc1ccc(-c2n[nH]cc2[C@H](CC(=O)O)c2c(O)cc(C)[nH]c2=O)cc1 95472745 IFDJPUWBXCDWBF-ZDUSSCGKSA-N 369.377 2.394 0 40 FEAB O=C(COc1ccccc1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216908 UJAKYXAYFVJTIU-HXUWFJFHSA-N 352.438 2.375 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 245333851 BHNLYGBJMNKDTM-YYXZMQKJSA-N 353.418 2.442 0 40 FEAB COc1ncccc1CN1Cc2cncn2[C@H](COCC2CCOCC2)C1 247825287 FLYSRIOZVZKQAG-IBGZPJMESA-N 372.469 2.287 0 40 FEAB Cn1cc(CN2CCC[C@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 257238497 HLFWLVRVKUENGT-CYBMUJFWSA-N 370.486 2.260 0 40 FEAB Nc1cnc(C[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 257218502 DDJGPFPSERGCBX-ZDUSSCGKSA-N 354.410 2.273 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2nccn2C)C1 257337972 YVGMTEKUCVQRRK-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB Cc1ncc(-c2nccnc2C[C@H]2CCCN(S(C)(=O)=O)C2)s1 257339130 ZAHWLCFRVHGCEN-GFCCVEGCSA-N 352.485 2.123 0 40 FEAB COc1ccc(/C=C/C(=O)Nc2cnc(-n3cccn3)nc2)cc1OC 85555397 RNQMZNCURSMSNU-FNORWQNLSA-N 351.366 2.331 0 40 FEAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)Cc1cccnc1 257276015 NSAKKCVDBCSATC-UKAVVXHISA-N 359.514 2.487 0 40 FEAB CN(Cc1nnc2n1CCOCC2)C(=O)N[C@H]1CCCc2sccc21 1615548086 MTLACOKDERLRFP-ZDUSSCGKSA-N 361.471 2.131 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC=C(c2cnn(C)c2)C1 639794756 SYSCVHSNTWPBLN-CQSZACIVSA-N 368.437 2.308 0 40 FEAB NC(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1F 1666852567 PWGBUUBWUGGYDP-AWEZNQCLSA-N 353.300 2.058 0 40 FEAB C[C@H]1CN(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC(=O)N1C 669643440 RIQPAOOMPDPXRG-AWEZNQCLSA-N 354.410 2.246 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)/C=C/c3cccs3)C2)cc1 96377820 QSSQAXONHATQSA-RMKNXTFCSA-N 363.460 2.455 0 40 FEAB COc1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1F 575609029 RJPZXZVWMQKIKW-UHFFFAOYSA-N 356.401 2.464 0 40 FEAB C[C@H](NC(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccon1 685940017 LURDMOJJLANYAV-KNHMANMVSA-N 350.369 2.459 0 40 FEAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1nc(CC2CC2)no1 685940597 PFZHFEHBNCCFBB-AWEZNQCLSA-N 358.446 2.174 0 40 FEAB C[C@@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)N1CCOCC1 29961129 CJQMOIMLHRVFFW-AWEZNQCLSA-N 362.861 2.035 0 40 FEAB COc1c(C)cnc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1C 173114965 HZSIKTMVXVOJPA-UHFFFAOYSA-N 367.515 2.095 0 40 FEAB Cc1nc(CSCCC(=O)NCC(C)(C)N2CCOCC2)cs1 40090995 JQEOGZHHCPYQCO-UHFFFAOYSA-N 357.545 2.302 0 40 FEAB CCOc1ccc(CCC(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 55288565 SOSITBFNMKNEIT-HOTGVXAUSA-N 362.470 2.160 0 40 FEAB CC(C)N1CCC(N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)CC1 1615160103 YKTQLULKHOTXOZ-FQEVSTJZSA-N 350.478 2.304 0 40 FEAB COc1ccc(CNC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)cc1 12117555 GNGPGSPQRJXEDV-UHFFFAOYSA-N 354.410 2.104 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12145211 SXQZJKFLRBBLKV-CYBMUJFWSA-N 367.496 2.176 0 40 FEAB Cc1noc(C)c1-c1nc(NC[C@H]2COCCO2)ncc1-c1cnccn1 12155889 UEHMTMVNOAQFQH-ZDUSSCGKSA-N 368.397 2.033 0 40 FEAB Nc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 19370532 MWVUJYIFBARAAP-UHFFFAOYSA-N 352.482 2.207 0 40 FEAB Cc1nc2nc(C)c(CCC(=O)N[C@@H](C)Cc3ccccn3)c(C)n2n1 19578476 CNXXYCCEICYAKF-LBPRGKRZSA-N 352.442 2.125 0 40 FEAB CC(C)c1nccn1CC(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1 19710080 QPOVFUYZPCJDRK-QGZVFWFLSA-N 358.490 2.165 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4787652 SFGBDEAOVFZGOP-IBGZPJMESA-N 368.345 2.111 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037841098 WBAPDLRILNHSDH-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CN1c2ccccc2N(CCNC(=O)c2cccc(Cl)c2)S1(=O)=O 253473128 RMVQRVRKPKXNNT-UHFFFAOYSA-N 365.842 2.271 0 40 FEAB CC(C)NC(=O)C[C@@H]1OC[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]12 1565553337 UPPPJMRUCSNRIW-UPJWGTAASA-N 372.391 2.251 0 40 FEAB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1 4087119 MKEBLYJNIJYSBT-UHFFFAOYSA-N 357.435 2.290 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 4249221 GBIROQVPAJJVPJ-AWEZNQCLSA-N 367.453 2.321 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccs4)cnc32)cc1 10251691 UOLXZVBFSUQAOS-UHFFFAOYSA-N 351.391 2.336 0 40 FEAB COc1ccccc1S(=O)(=O)N1CCc2nc3ncccc3cc2C1 1890713675 ORIFTWYLXBCYMV-UHFFFAOYSA-N 355.419 2.385 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncc(F)cn2)CC1 585501237 XTIZCHKKONNVFD-UHFFFAOYSA-N 366.400 2.151 0 40 FEAB C[C@@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 40047543 YHRGIPXDXCHCHS-BLLLJJGKSA-N 355.360 2.480 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 40091957 MKJZKVNZIFNQBG-HNNXBMFYSA-N 370.540 2.347 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccc(C)cc4)[C@H]3C2=O)cc1 101167281 YCXKKZDIAITHHX-IAGOWNOFSA-N 350.378 2.497 0 40 FEAB COC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 101713122 GCLOKOKNDQPUBP-AWEZNQCLSA-N 353.378 2.104 0 40 FEAB O=c1c(NCc2ccco2)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101704296 KLJRMLITWOSQBS-UHFFFAOYSA-N 371.824 2.468 0 40 FEAB C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101840345 CCKDKMSKFQFKFL-MQZXZXQHSA-N 369.446 2.007 0 40 FEAB Cc1ccc2c(c1)CCCN2CCC(=O)N1CCN(c2ncccn2)CC1 32778005 PPVBJVMPFDCNEL-UHFFFAOYSA-N 365.481 2.277 0 40 FEAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1ccccc1-n1cnnn1 61720224 ZURJULNLTWRWOS-UHFFFAOYSA-N 351.366 2.005 0 40 FEAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cnns1 47833208 DDEWPHJALAGWGA-UHFFFAOYSA-N 357.361 2.351 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2oc1=O 3317208 LRKDHUNEOQYOOG-UHFFFAOYSA-N 363.325 2.246 0 40 FEAB Cc1cc(O)nc2nnc(SCC(=O)NCc3ccccc3Cl)n12 4250016 YNNTZHDTWCWFFT-UHFFFAOYSA-N 363.830 2.200 0 40 FEAB Cc1ccn2cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)nc2c1 24502068 SXIBAXKRTUDKJT-UHFFFAOYSA-N 355.442 2.006 0 40 FEAB CC(=O)Nc1ccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 12589642 VPYSGBMYMOLUGW-UHFFFAOYSA-N 363.377 2.119 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)s1 56100078 WFXYCBOLDFIDJK-SNVBAGLBSA-N 358.876 2.139 0 40 FEAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22528726 OHELAFBMQHJDLW-GUYCJALGSA-N 360.435 2.091 0 40 FEAB CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(OC)cc(OC)c1 57028177 GJJHNFLDRVJRJY-UHFFFAOYSA-N 356.422 2.482 0 40 FEAB CCn1nc(C)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 57280228 WAQAACWFESGDHK-UHFFFAOYSA-N 362.455 2.266 0 40 FEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 57955147 DCQFAPKULSXAKI-VIFPVBQESA-N 355.350 2.087 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O 57731306 USTHFCOXSXYPLF-TXEJJXNPSA-N 373.844 2.487 0 40 FEAB CCS(=O)(=O)N1c2ccc(C(=O)NCc3cccnc3)cc2C[C@@H]1C 20448925 LYLSQACFJFUFNC-ZDUSSCGKSA-N 359.451 2.112 0 40 FEAB C[C@@H](SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)O 12813873 IGQUVCLTMUCYKD-YPMHNXCESA-N 351.424 2.328 0 40 FEAB CC(=O)NCCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 2646120 FBPSZWUJMNXSAP-UHFFFAOYSA-N 354.432 2.434 0 40 FEAB O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCOCC1 2705605 HSFJSGILTISKGG-UHFFFAOYSA-N 359.451 2.119 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O 3452278 PBGJYAKYWISRRO-UHFFFAOYSA-N 365.345 2.243 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12994744 ALBLMXXDBBEDED-UHFFFAOYSA-N 367.449 2.407 0 40 FEAB CCOC(=O)CN(CC(=O)Nc1ccccc1Br)C1CC1 49573522 SUZDUCJXZYYAHP-UHFFFAOYSA-N 355.232 2.415 0 40 FEAB COCCCn1c(N)c(C(=O)O[C@@H](C)COC)c2nc3ccccc3nc21 4327475 CBAORSDJTYTFGR-LBPRGKRZSA-N 372.425 2.395 0 40 FEAB CCOCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 13944660 YMUGSCFQOBAGDN-KRWDZBQOSA-N 371.481 2.410 0 40 FEAB biogenic,in-vitro COc1ccc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)ccc2c1 14163597 SZYYRQSCUTYKRV-UHFFFAOYSA-N 369.465 2.131 0 40 FEAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22788418 AZPUXCZEMKCKKM-UHFFFAOYSA-N 361.877 2.436 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 14210740 CZMYMOVAEHMBTJ-NSHDSACASA-N 363.391 2.226 0 40 FEAB COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 9390079 SMNOIYXOXQFHAN-UHFFFAOYSA-N 364.423 2.058 0 40 FEAB O=C(OCC(=O)N1CCOCC1)C1c2ccccc2Oc2ccccc21 6612116 LFLLICVRISBHCF-UHFFFAOYSA-N 353.374 2.326 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(C(C)C)no3)N(C)C2)cc1 20464325 XCGFOOGAIACBQR-ZFWWWQNUSA-N 364.471 2.225 0 40 FEAB biogenic,in-vitro Cc1ccnn1Cc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)o1 6925295 ISDIZIHMEQYYRD-UHFFFAOYSA-N 372.406 2.369 0 40 FEAB COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 4995171 JMIAZDVHNCCPDM-NWQITLLVSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 72400619 OXNWJINOPZPFMP-IAGOWNOFSA-N 373.453 2.406 0 40 FEAB O=C(Nn1c([C@@H]2CCCO2)n[nH]c1=S)c1ccc(-n2cccn2)cc1 9500334 RTUVYCWPWABMKW-ZDUSSCGKSA-N 356.411 2.362 0 40 FEAB Cc1oc(C(=O)N2c3ccccc3OC[C@@H]2C)cc1S(=O)(=O)N(C)C 84795797 PDQGEIZQDFQFRL-NSHDSACASA-N 364.423 2.266 0 40 FEAB Cc1c(C)n(C)c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc12 28226303 WQXOSWDEMRYGDI-UHFFFAOYSA-N 371.462 2.373 0 40 FEAB O=C(CN1C(=O)C2(CCCC2)N=C1O)Nc1nc(-c2ccccn2)cs1 9656923 HFUFLAVMIOJODF-UHFFFAOYSA-N 371.422 2.213 0 40 FEAB Cn1ncc2c(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)ncnc21 69952044 NGNUCDYPGWXTNY-HNNXBMFYSA-N 352.398 2.093 0 40 FEAB C[C@H]1CCc2ccccc2N1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 8710720 RHKDHQSTEMLKOD-IFXJQAMLSA-N 365.433 2.107 0 40 FEAB CC(C)Cc1nc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)no1 95462569 JLGXJFDNZVCZDD-SFHVURJKSA-N 357.502 2.346 0 40 FEAB Cc1ccc(C[C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)C(=O)O)cc1 95970688 VSEPVZYLUCTTFB-KRWDZBQOSA-N 364.405 2.249 0 40 FEAB O=C(O)C[C@H]1CSCCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 95970120 GTZVBZOHVJXHIU-ZWNMCFTASA-N 365.842 2.420 0 40 FEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1C 408045435 ZTOINYIBXIPENG-AWEZNQCLSA-N 353.419 2.236 0 40 FEAB O=C(NCc1ccncc1)NC1CCC(C(=O)N2CCSCC2)CC1 72078890 KFGYNVXHCAODIR-UHFFFAOYSA-N 362.499 2.015 0 40 FEAB CCN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 36633921 VIAIENBZXBYWNZ-CQSZACIVSA-N 356.253 2.263 0 40 FEAB Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)N2CCCCC2=O)no1 85467577 BPTYCHCWAKBCNK-INIZCTEOSA-N 359.401 2.476 0 40 FEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222822467 OPGKIUGFZMQAHK-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB CCOc1ccccc1NC(=O)NCc1cc(C)nc(N2CCOCC2)n1 224230034 QERFPMOFHBRGRR-UHFFFAOYSA-N 371.441 2.342 0 40 FEAB Cc1cccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44912423 BTMFOPNGIQFFBG-SFHVURJKSA-N 374.462 2.147 0 40 FEAB CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 96182910 YFTHWVXJYNSMLV-ZIFCJYIRSA-N 351.454 2.244 0 40 FEAB Cc1ccc(N2CCOC[C@]3(CCCN(Cc4cccnc4)C3)C2)nn1 96229180 KGTZSPJIKCRRGN-FQEVSTJZSA-N 353.470 2.299 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(=O)c3cccs3)C2)C1 96047094 AXRZIYWJXSTRED-GOSISDBHSA-N 356.451 2.307 0 40 FEAB CC(C)CC(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225254 ZLMZDYMLGVFNJO-FQEVSTJZSA-N 372.469 2.224 0 40 FEAB CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ncc(C)s3)=N[C@@H]2S1 94992931 XCRYPPHAVPXVBF-TVQRCGJNSA-N 368.509 2.244 0 40 FEAB Cc1cc2nc([C@H]3CCCCN3S(=O)(=O)c3cccnc3)ccn2n1 257310002 UDHNGUATJPIRLM-MRXNPFEDSA-N 357.439 2.349 0 40 FEAB C[C@]12CCN(C(=O)Cn3cccn3)[C@H]1CCC(=O)N2Cc1ccccc1F 257311448 UJNCHAYSEWNZCM-PXNSSMCTSA-N 370.428 2.204 0 40 FEAB CN1C(=O)CCC[C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CC[C@H]21 257219985 DJBZALNPDZPZMM-DLBZAZTESA-N 356.470 2.155 0 40 FEAB COCc1cccc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)c1 257213644 CIMGRUASOBSPDR-IBGZPJMESA-N 355.438 2.405 0 40 FEAB CO[C@@H]1CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 257320582 VXKPGQZFZHMPAE-QAPCUYQASA-N 370.396 2.496 0 40 FEAB CCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 257213917 CJRRNLUGUNZQKS-KRWDZBQOSA-N 369.469 2.462 0 40 FEAB Cc1cc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)ccc2o1 257207083 BGGHOFVQSWTMTO-ZHALLVOQSA-N 358.438 2.085 0 40 FEAB COc1ccc(-c2noc(-c3nnn([C@@H]4CCNC4)c3C(F)F)n2)cc1 629677190 VOSSARFNKHSTES-SNVBAGLBSA-N 362.340 2.476 0 40 FEAB CC(C)Oc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cn1 630413236 GUXNPTBBMSXWDX-UHFFFAOYSA-N 350.396 2.392 0 40 FEAB CON1CCC(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 630893622 JKEJUZCSNVZQGD-UHFFFAOYSA-N 371.441 2.111 0 40 FEAB CN1CCC(n2cc(NC(=O)Cn3cnc(-c4ccccc4)n3)cn2)CC1 634092739 AFROLDIKJHNODE-UHFFFAOYSA-N 365.441 2.047 0 40 FEAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2n[nH]c3c2CCCC3)c1 653673681 ZDONDTASPJKEAA-LJQANCHMSA-N 357.410 2.417 0 40 FEAB CO[C@@](C)(C(=O)O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 663068746 ASCNZKDZEZREDU-HXUWFJFHSA-N 355.390 2.394 0 40 FEAB O=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2cnccn2)CC1 90678185 PIFCFLLCNOGEAG-UHFFFAOYSA-N 353.831 2.362 0 40 FEAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccoc1 390826807 BZXCBURVUMSUKL-UHFFFAOYSA-N 356.367 2.080 0 40 FEAB Cn1cccc1C(=O)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585111953 FLRZELPCJFSXKN-OAHLLOKOSA-N 353.426 2.192 0 40 FEAB CO[C@@]1(CNS(=O)(=O)c2ccc(Br)s2)CCSC1 96097704 ANVCKZRCJGELIM-SNVBAGLBSA-N 372.331 2.311 0 40 FEAB O=C(NCCc1cccc(F)c1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000144 UAMVSZPMYXPWNS-ZWKOTPCHSA-N 371.412 2.152 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1OC 12365048 PVHYILFWEKLOGS-ZDUSSCGKSA-N 367.409 2.390 0 40 FEAB COc1ccc(CNC(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)cc1 14034917 JIGXSSDZMDNSIF-AWEZNQCLSA-N 359.451 2.222 0 40 FEAB Cc1nc2ccccn2c1CN1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 19555008 HAYJVBORGIDITI-GCJKJVERSA-N 374.444 2.460 0 40 FEAB CNc1cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc(-c2cccnc2)n1 19592215 TUDHFHJWRNRNOF-QGZVFWFLSA-N 367.453 2.465 0 40 FEAB COC(=O)[C@H]1CCn2c(nnc2-c2ccc(OC)c(Br)c2)C1 601044000 FUVBIDJNJLXLPH-JTQLQIEISA-N 366.215 2.452 0 40 FEAB O=C(CCOc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644071993 OGSARROYWAMYAF-UAGQMJEPSA-N 352.862 2.213 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234282 SRSMSTMCVMXCRX-SWLSCSKDSA-N 371.416 2.238 0 40 FEAB Cc1nc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c2cnn(C)c2n1 1888883435 STXOQWYOTBYNLG-ZDUSSCGKSA-N 365.441 2.244 0 40 FEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc2c(c1)OCO2 15029545 LLWLYBXHSRUVPG-LLVKDONJSA-N 368.393 2.044 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840405 LZPDBUDRLAIJDW-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)COc3ccccc3)o2)c1 4585679 RROCPTGYQIWWKD-UHFFFAOYSA-N 373.390 2.158 0 40 FEAB CCCCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 4504491 MSYMCIFCWVVJFH-CQSZACIVSA-N 355.456 2.133 0 40 FEAB COc1cccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)c1OC 9616618 VQHRKOLYJANSPB-UHFFFAOYSA-N 372.360 2.140 0 40 FEAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@H]21 2055746131 PIEYOLYOKSXAOH-QZTJIDSGSA-N 365.905 2.207 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(F)cc1 22767277 OJDMHYXQVOSPKL-MRXNPFEDSA-N 370.471 2.239 0 40 FEAB O=C(c1cc2ccccc2oc1=O)N1CC(c2nc(-c3ccncc3)no2)C1 49481821 QSCHGVBVMKMTMJ-UHFFFAOYSA-N 374.356 2.478 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 20041518 SJFSMZODWWTOEE-KRWDZBQOSA-N 360.435 2.469 0 40 FEAB CSCc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)oc2ccccc12 21604584 WMSGRRTVPOUCQP-SNVBAGLBSA-N 362.407 2.393 0 40 FEAB COc1cc(C(=O)c2cc3c(cc2C(=O)O)OCO3)cc(OC)c1OC 1595953 NKIVYOORVNTNOY-UHFFFAOYSA-N 360.318 2.370 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940666 BZXMRFYVXRPNSZ-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 24771116 CAPGZKQGYWXWLR-AWEZNQCLSA-N 372.425 2.073 0 40 FEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2nccs2)CC1 10672977 GQUKHNUUXLBRFO-UHFFFAOYSA-N 356.451 2.232 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1COc2ccccc2C1 34803567 VCBAJLXZOJWSLR-WOJBJXKFSA-N 366.461 2.255 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)CN3CCc4ccccc43)n2)c[nH]1 58167419 WIYAYCPEQDOYFK-UHFFFAOYSA-N 367.434 2.238 0 40 FEAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1 58173672 NYXWIPKUVAWKMI-MRXNPFEDSA-N 363.435 2.439 0 40 FEAB Cc1cc(S(=O)(=O)NCc2cccnc2N2CCOCC2)c(C)s1 28042250 DVVXTXGINSHKOT-UHFFFAOYSA-N 367.496 2.075 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)/N=c1/sccn1C 103038698 ZEEXCYHDLKULCS-GJEKEPIOSA-N 353.394 2.247 0 40 FEAB Cc1cccc(C(=O)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12766487 IJJRPITZDLHLKQ-UHFFFAOYSA-N 351.406 2.256 0 40 FEAB CN1CCN(c2ncnc3c2oc2nc4c(cc23)COC(C)(C)C4)CC1 2363930 VJNDSQSYWHKCON-UHFFFAOYSA-N 353.426 2.374 0 40 FEAB CC(C)(CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)N1CCCCC1 48356677 MLQIBKHOLCWHDU-UHFFFAOYSA-N 368.481 2.291 0 40 FEAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCN2CCOCC2)cc1 29411291 KFLKZUIRWVDARC-UHFFFAOYSA-N 352.434 2.288 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 3561320 QLJSRFWPXIGCKK-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(C(=O)C2CCCC2)CC1 46875560 DGGXKUXEEMDXKT-KRWDZBQOSA-N 357.454 2.034 0 40 FEAB O=C(CN1CCN(C(=O)c2ccc3ccccc3c2)CC1)N1CCCC1 13011665 TUAAKIRFRQYEJA-UHFFFAOYSA-N 351.450 2.220 0 40 FEAB COc1ccc(-c2cc3ccc(OCC(N)=O)cc3oc2=O)c(OC)c1 4086519 SWZRFMZTOAHUIX-UHFFFAOYSA-N 355.346 2.341 0 40 FEAB biogenic Cc1cc(=O)oc2c(NC(=O)C(=O)NCCc3ccccc3)c(O)ccc12 49543575 YEISBLIZTGLLSK-UHFFFAOYSA-N 366.373 2.104 0 40 FEAB biogenic C[C@H](OC(=O)CNC(=O)c1ccccc1Cl)C(=O)NC1CCCCC1 6083127 BKDYVDVIPVPCEL-LBPRGKRZSA-N 366.845 2.450 0 40 FEAB COc1ccccc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2ccccc21 71281034 MZBMKNFSPOLZNR-UHFFFAOYSA-N 367.405 2.391 0 40 FEAB O=C(CSc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1 9183662 HYXUWFACMZJXEB-UHFFFAOYSA-N 364.858 2.158 0 40 FEAB COC(=O)CNC(=O)c1cccc(NC(=O)c2ccnc(Cl)c2F)c1 95449067 KLDHMOUUODBIQX-UHFFFAOYSA-N 365.748 2.029 0 40 FEAB Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1=O 14094034 LXJCOABFWWUOMH-UHFFFAOYSA-N 363.299 2.237 0 40 FEAB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)NC(C)C)[nH]c32)cc1 14198833 WHRXYAIRIPLIJK-UHFFFAOYSA-N 357.439 2.034 0 40 FEAB CCOc1ncccc1C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 14518152 LWRCQRXVYXWPEJ-INIZCTEOSA-N 374.462 2.310 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 9386598 KUUMTBDDAYIICP-JLTOFOAXSA-N 373.453 2.154 0 40 FEAB CCc1cccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c1 15191420 HKKFHMBBVWLWQS-UHFFFAOYSA-N 351.406 2.384 0 40 FEAB COc1cccnc1NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 67150314 OQDNYORPUOHFDK-UHFFFAOYSA-N 367.365 2.003 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C2SCCS2)cc1 7783118 FQNUVISTKIGYKK-SECBINFHSA-N 354.453 2.166 0 40 FEAB C[C@@H](C(=O)OCCOc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 7806772 ZAECEMOIJGYLPY-LBPRGKRZSA-N 357.337 2.432 0 40 FEAB CC(=O)c1c[nH]c(C(=O)NCC(=O)Nc2ccccc2Br)c1 7962748 PGURQDZHJGUBOA-UHFFFAOYSA-N 364.199 2.348 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CCC(=O)N1CCOCC1 8285984 RMGCTDHCLWPBNS-UHFFFAOYSA-N 355.232 2.335 0 40 FEAB CC(C)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[nH]n1 115876058 OOEVGLLYOFIFLW-LBPRGKRZSA-N 370.409 2.296 0 40 FEAB COc1cc(C(=O)OCc2nc(N)c3ccccc3n2)cc2c1OCCO2 8720987 QBJAOWYRRLZDIY-UHFFFAOYSA-N 367.361 2.349 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 83957244 GDZTUQPEGFPRAW-MRXNPFEDSA-N 373.453 2.304 0 40 FEAB Cc1cc(N[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)n2ncnc2n1 95999437 LPZANSGCTXKHIS-OAHLLOKOSA-N 360.425 2.042 0 40 FEAB Cc1noc(CCNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 97212395 PISDGKMOAXTBRV-UHFFFAOYSA-N 367.287 2.419 0 40 FEAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12)c1ccccc1 3849210 RDYMIHWYFYTXOE-CJNGLKHVSA-N 354.749 2.467 0 40 FEAB biogenic Cc1oc(C(C)C)cc1C(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527580751 SIAXSWFFBCLNFM-CVEARBPZSA-N 358.442 2.094 0 40 FEAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 25989469 RRXOOECVBKKPNL-SJORKVTESA-N 370.380 2.471 0 40 FEAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 70040781 DZNURKBEDVNUNB-KUHUBIRLSA-N 358.438 2.282 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 48278363 FODOBFAOZUXPNC-UZLBHIALSA-N 372.396 2.170 0 40 FEAB O=C(O)c1cn(C2CCN(CCCOCCc3ccccc3)CC2)nn1 569989500 CQEHDEDUJIXLQC-UHFFFAOYSA-N 358.442 2.263 0 40 FEAB Cc1nnc(C)n1-n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387714 AUFRMUWBSLRJQC-UHFFFAOYSA-N 357.377 2.231 0 40 FEAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)NCCc2cccc(F)c2)C1=O 97531557 LHHQQCMSLCESDD-CYBMUJFWSA-N 369.396 2.224 0 40 FEAB biogenic Cc1cc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c(C)o1 96259353 TZYZBXDLYQHWNH-UHFFFAOYSA-N 356.426 2.261 0 40 FEAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 96245439 YTPNYQLNUVYSTH-HUUCEWRRSA-N 350.846 2.183 0 40 FEAB COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CN1Cc1ccccn1 96051790 OQQBMHCZVQHOGJ-HXUWFJFHSA-N 369.513 2.318 0 40 FEAB O=C(c1ccncc1)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 96063801 PJCXSQVBLIMRSD-ZWKOTPCHSA-N 355.413 2.336 0 40 FEAB Cc1ccsc1C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 299851565 ZPLBXCMBABFSPM-LLVKDONJSA-N 353.469 2.203 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1C 257287993 PSICPBWYHZELHE-QUCCMNQESA-N 357.498 2.363 0 40 FEAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1Cl 260892605 AEHUJSYFKVDQOQ-LLVKDONJSA-N 362.879 2.275 0 40 FEAB CCOC(=O)c1c(CN2CCC[C@H](c3nnc4ccccn34)C2)n[nH]c1C 590605466 LCUIGKLAWYLFRQ-AWEZNQCLSA-N 368.441 2.317 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)cc1 1627494710 IABLAHXQSPRDRG-ZDUSSCGKSA-N 371.466 2.248 0 40 FEAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1C[C@H](O)[C@@H](O)C1 628522689 HJKQLWKUSBNXDT-OALUTQOASA-N 368.408 2.471 0 40 FEAB CCN1CCO[C@@H](CN=c2cc[nH]c3ccccc23)[C@@H]1c1cnn(C)c1 664313792 XXDZZOISHDBMCW-PMACEKPBSA-N 351.454 2.264 0 40 FEAB O=C1NCCN1c1ccc(F)c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c1 665978008 PFUDYOFCVPNOTM-MAUKXSAKSA-N 369.396 2.303 0 40 FEAB CN1C(=O)CC[C@@H](C(=O)N2CCC(O)(C(F)F)CC2)[C@@H]1c1ccccc1 681758417 BKUOWEPFMBBEIG-ZBFHGGJFSA-N 366.408 2.215 0 40 FEAB O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCO[C@@H](C(F)F)C1 606442459 DLGIMHKHDBAFHT-CYBMUJFWSA-N 365.373 2.269 0 40 FEAB CC1CCC(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)CC1 585105247 RMEIZHBSGJINSC-YPHMPPRQSA-N 371.481 2.251 0 40 FEAB CO[C@@]1(COc2cccc(C)c2)CCCN(C(=O)c2cncnc2O)C1 585275490 CXLVMJYZGIUYJZ-IBGZPJMESA-N 357.410 2.191 0 40 FEAB CCc1cc(Sc2nnnn2C[C@H]2CCCO2)nc(-c2ccccn2)n1 78604133 XTADOBWHMCTFHC-CYBMUJFWSA-N 369.454 2.418 0 40 FEAB CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O 59923946 DGWGDKXVXULTHL-NVXWUHKLSA-N 354.454 2.251 0 40 FEAB CCC(C)(C)n1nnnc1CN1CCC(n2cnc3cccnc32)CC1 12114674 VWAQNJIPZVUUOK-UHFFFAOYSA-N 354.462 2.400 0 40 FEAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)CCn1ncc2ccccc21 12188652 HAJRQBXLIMZDEE-UHFFFAOYSA-N 364.405 2.459 0 40 FEAB O=C(c1ccccn1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407969 MZELQCKKHJTALZ-UHFFFAOYSA-N 351.366 2.252 0 40 FEAB CCOC(=O)C1=C(COc2ccccc2Br)NC(=O)N[C@H]1C 14070773 WBGXZZOUBUXSJB-VIFPVBQESA-N 369.215 2.346 0 40 FEAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)c1 15831853 APZAZHMIIYKTTC-GOSISDBHSA-N 358.438 2.465 0 40 FEAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cn(C)nc2C)n1 19573781 QYXGNYIWARSJNR-SFHVURJKSA-N 357.458 2.198 0 40 FEAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)nc(O)c2C1 19590218 XKWJJBLKOGPMKN-GJZGRUSLSA-N 356.470 2.232 0 40 FEAB COc1ccc(OCC2CCN(CC(=O)Nc3ccn(C)n3)CC2)cc1 19658896 WTLCDVJZONWJHC-UHFFFAOYSA-N 358.442 2.158 0 40 FEAB C[C@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)C1CC1 19750789 BLNITWBULWCLGF-LBPRGKRZSA-N 357.385 2.154 0 40 FEAB Cc1nnc2ccc(N3CC[C@H](COc4ccc(C(C)(C)C)nn4)C3)nn12 1888873356 MLYFKUUUWIWLOF-AWEZNQCLSA-N 367.457 2.426 0 40 FEAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1ccc2nsnc2c1 244909707 ASHIYMFKNXFEJJ-UHFFFAOYSA-N 371.447 2.201 0 40 FEAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@]1(C)CC=CCC1)CC2 1565554615 CKGNLDKWVDBKLE-HXUWFJFHSA-N 358.486 2.172 0 40 FEAB C[C@]1(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)CC=CCC1 1565546116 UKCYTWJDOFPERK-LJCCNALRSA-N 362.470 2.293 0 40 FEAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 3906811 IJQCEZMAKOYDIJ-HNNXBMFYSA-N 365.433 2.126 0 40 FEAB Cn1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccccc3s2)n1 12444347 XWLVDRCSGNKLEB-UHFFFAOYSA-N 371.466 2.009 0 40 FEAB CN(C(=O)Cc1cccnc1)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975809 OMAMGIRIYXQQSB-UHFFFAOYSA-N 359.433 2.428 0 40 FEAB O=C1NCCC[C@@H]1N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585534213 XSIQEWVHFZPQHL-ZDUSSCGKSA-N 357.376 2.470 0 40 FEAB CCc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773702 KGMQERXLWVPSDI-ZWKOTPCHSA-N 364.511 2.109 0 40 FEAB COc1ccccc1CNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 32123762 RDHLIXLHBBXTAN-HNNXBMFYSA-N 353.378 2.102 0 40 FEAB biogenic COC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCCC3)n2)cc1 21360588 YPCHQUMFRDUODD-UHFFFAOYSA-N 370.409 2.189 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 32787505 REWFOZBFLMYAKS-GFCCVEGCSA-N 353.469 2.439 0 40 FEAB O=C(CCNC(=O)c1ccncc1)NCc1ccc(OC(F)(F)F)cc1 32916126 LRFYUCVLPVQILK-UHFFFAOYSA-N 367.327 2.417 0 40 FEAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 651154 GOAWJKJHFGLDFE-UHFFFAOYSA-N 351.497 2.444 0 40 FEAB Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1 870635 WEHGPLOFTLLPLF-UHFFFAOYSA-N 374.462 2.049 0 40 FEAB COC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc2c1CCCC2 23224687 GKHZIYMXMPZPDD-VXGBXAGGSA-N 366.483 2.461 0 40 FEAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2)C1=O 104669954 DDORCRDFKWIPOF-ORIJERBGSA-N 369.421 2.241 0 40 FEAB COc1ccccc1CNC(=O)CSc1nnc(-c2ccco2)n1C 3555311 SUJJJBWEBDQQOW-UHFFFAOYSA-N 358.423 2.492 0 40 FEAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccco1 4538433 IJYUJKRZTZIIRN-UHFFFAOYSA-N 363.830 2.314 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6563948 BDPYIHCQLFSSMX-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCC[C@H]1Cc1ccccc1 55456408 FAHOAVQLMVYWLM-OKZBNKHCSA-N 352.434 2.171 0 40 FEAB COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 34853956 IHOXNOQMRZISPV-YJYMSZOUSA-N 368.433 2.497 0 40 FEAB investigational CN(C)C(=O)COc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 25993667 ZKPSXERVTKYRGM-UHFFFAOYSA-N 365.389 2.247 0 40 FEAB COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cn1 25314971 NOPFINLKXGEUQS-UHFFFAOYSA-N 367.452 2.189 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22230012 USSXMQLLBKDZMT-HNNXBMFYSA-N 354.472 2.025 0 40 FEAB Cc1ccc(N2N=C(C(=O)NCCSC3CCCC3)NCC2=O)cc1 58184394 YDXYRQRUHAXHSO-UHFFFAOYSA-N 360.483 2.037 0 40 FEAB O=C(Cn1cccnc1=O)N[C@@H](COc1ccccc1F)c1ccccc1 58203276 RLIFTYSFNKWZQH-KRWDZBQOSA-N 367.380 2.319 0 40 FEAB O=C(NCc1ccco1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58209155 YGTXKSSRAFDXMR-IAGOWNOFSA-N 365.389 2.170 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2158148 PYBJBBDDKVNUQD-ABKXIKBNSA-N 361.394 2.273 0 40 FEAB biogenic CCOC(=O)N[C@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C(C)C 58366615 XPNWEGUJJYMFSF-INIZCTEOSA-N 367.421 2.372 0 40 FEAB Cc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CCC2 12798863 LMOYLFFKDKACHN-UHFFFAOYSA-N 358.419 2.467 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2C[C@H]1C 11174905 UNZNZNMLQXOYKC-LLVKDONJSA-N 374.418 2.483 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 68561859 GZVHHTJNFKBYDQ-QZTJIDSGSA-N 365.462 2.232 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 28236916 UYQMOOCDHJYWIR-UHFFFAOYSA-N 350.825 2.479 0 40 FEAB Cc1ccc2oc(N3CCN(C(=O)CCc4cnn(C)c4)CC3)nc2c1 112264836 TUXJHIDXZSAFOE-UHFFFAOYSA-N 353.426 2.151 0 40 FEAB COCCNC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 3439379 QOPIDAQHCDUKCI-UHFFFAOYSA-N 354.457 2.145 0 40 FEAB COC(=O)c1cccc2c1CCCN2Cc1cccc(OCC(N)=O)c1 63994646 UXKRFCOPJAHHFV-UHFFFAOYSA-N 354.406 2.290 0 40 FEAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 84068184 IZMVDHLGUANCPC-WMLDXEAASA-N 359.426 2.387 0 40 FEAB Cc1nn(CN2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2ccccc12 14141027 DCGXJBWNPGGPEX-UHFFFAOYSA-N 358.442 2.215 0 40 FEAB O=C1S/C(=C\c2ccco2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660551 SKBWAMVSZOHMAL-GVIGZQTCSA-N 364.423 2.079 0 40 FEAB CC(C)CCNC(=O)NC(=O)COc1ncnc2sc3c(c12)CCC3 5943720 GISGOQJDZGXITN-UHFFFAOYSA-N 362.455 2.431 0 40 FEAB Cc1c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)oc2ccc(F)cc12 24680553 XXNQPAKUSZKJPO-ZDUSSCGKSA-N 368.430 2.424 0 40 FEAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NC[C@@H]1CCCO1 9833704 DJLDVXCVKAJHCF-JTQLQIEISA-N 361.225 2.244 0 40 FEAB O=C(c1ccoc1)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306132685 LPGHILACWZDYDA-HXUWFJFHSA-N 362.389 2.086 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2Cl)c2ccccc2O1 7826083 ZLIOJCVSUQXEOJ-INIZCTEOSA-N 360.797 2.259 0 40 FEAB CCSc1nnc(NC(=O)c2nn(-c3ccccc3)ccc2=O)s1 17043583 SSNPIIBIITXOEB-UHFFFAOYSA-N 359.436 2.448 0 40 FEAB COCC(=O)N1CCCCC[C@@H]1C1CCN(c2nccc(OC)n2)CC1 69952104 MAISJNIHPHOCDL-MRXNPFEDSA-N 362.474 2.119 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 73693556 WTNLWDZILDKINW-RUZDIDTESA-N 358.463 2.233 0 40 FEAB C[C@@H](CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nnn[nH]1 95941774 CXVGSYIPZIZJPM-VIFPVBQESA-N 364.335 2.310 0 40 FEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@H]1c1ncon1 95981358 LBXIMUYBNTUTQZ-HNNXBMFYSA-N 373.800 2.431 0 40 FEAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428657 XIHCLCRTZLATCX-YESZJQIVSA-N 351.855 2.217 0 40 FEAB CCC1(c2ccccc2)CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 566841125 DVDNDIOXZQINGQ-OAHLLOKOSA-N 350.484 2.184 0 40 FEAB Cc1cc(C)cc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 31773645 WCFFCJNGFUHQBP-ZWKOTPCHSA-N 364.511 2.164 0 40 FEAB Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)O)C[C@@]3(C)C(=O)CCCC[C@@H]23)cc1 212415563 AWKQSOBJXCGMOA-IIDMSEBBSA-N 365.451 2.361 0 40 FEAB biogenic CC(C)[C@@H]1N(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC12CCC2 563832111 ASUJULCVJGHUFG-KRWDZBQOSA-N 361.490 2.258 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1F 226686815 ZRWJLKYOGLNXRS-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)ccc1-n1cccn1 574391302 QNELMEJCCLZUAH-CQSZACIVSA-N 352.398 2.024 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(C)cs2)CC1 192920905 FWHIWOZZDJOWSH-UHFFFAOYSA-N 367.496 2.279 0 40 FEAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)Cc1cccs1)C2 96227526 PYVVCLTUKZPRIV-APWZRJJASA-N 355.463 2.241 0 40 FEAB COCCO[C@H]1CCN(Cc2ccc(OC)cc2)[C@H]1Cc1cnn(C)c1 96061642 XHINSQSDJPBBIH-PMACEKPBSA-N 359.470 2.277 0 40 FEAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)c1 257287362 PPPCNODXEAEJJB-DLBZAZTESA-N 350.484 2.300 0 40 FEAB Cc1n[nH]cc1CN1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 257296698 RDZXDIIHBVFMFU-HNNXBMFYSA-N 364.457 2.496 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1Cl 257264715 LVTRNEXDXRYZIF-PBHICJAKSA-N 350.846 2.498 0 40 FEAB Cn1nc(C(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)cc1C(F)(F)F 257333928 YDRVRKHSGGINOE-NHYWBVRUSA-N 358.364 2.102 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 257299849 RRWFSWTUAPCLJF-HNNXBMFYSA-N 357.385 2.261 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257284688 PDUYKJXHOGHXAR-CYBMUJFWSA-N 354.410 2.258 0 40 FEAB O=C1NC[C@H](C(=O)NC[C@H]2CSc3ccccc3O2)c2ccccc21 627907242 RSLYUFUZVOSAFJ-WFASDCNBSA-N 354.431 2.183 0 40 FEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)c1 652384805 ODCAAKIRQZNYJS-FVQBIDKESA-N 356.463 2.184 0 40 FEAB COc1c(F)cc(F)cc1NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C 671520997 HYEICXOISQLURS-KGLIPLIRSA-N 368.384 2.382 0 40 FEAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3CCCO3)CCSCC2)o1 1776111951 ZFSHHXRRHREBPF-CYBMUJFWSA-N 367.467 2.104 0 40 FEAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 37187824 FLIVXUILOLGTSV-LJQANCHMSA-N 366.465 2.396 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCc1c[nH]c2cc(F)ccc12 50767218 NGQFGVJZGNOPKG-UHFFFAOYSA-N 364.380 2.376 0 40 FEAB CCOC(=O)CN(Cc1ccccc1)Cc1cc(=O)n2nc(C)sc2n1 57265307 MPYCFTFGRBQHIA-UHFFFAOYSA-N 372.450 2.025 0 40 FEAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 61649068 IRWHDSMPCUYEBU-JKSUJKDBSA-N 359.401 2.382 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615126943 BHNJTUNLTQMRTL-FQEVSTJZSA-N 372.444 2.266 0 40 FEAB O=C(CNC(=O)c1cccs1)OCC(=O)N1CCCc2ccccc21 5812408 AVRYZQGSIZUTSH-UHFFFAOYSA-N 358.419 2.001 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)NC(C)C)C2)on1 12118496 BQKALZRVPOAARU-HNNXBMFYSA-N 357.458 2.452 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cn1 12885325 CMBFZHDRWLVDQY-UHFFFAOYSA-N 366.465 2.403 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1OC 15593195 ZVKNQPISCWNEEX-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)(C)CN1CCC[C@H](C)C1 19578535 KGPLTCFNRLFXCY-AWEZNQCLSA-N 372.517 2.300 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)n3)C[C@@H](C)O2)o1 619282337 ULYRXXKJQVINLY-LDYMZIIASA-N 356.304 2.394 0 40 FEAB CCOc1c(Cl)cccc1CC(=O)N1CCC[C@]1(COC)C(=O)O 643854064 RFUWFATYNIYRAB-KRWDZBQOSA-N 355.818 2.373 0 40 FEAB CCOc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(C)n1 12223655 LFINCGSRJZWHEX-UHFFFAOYSA-N 356.426 2.155 0 40 FEAB O=C(CSc1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O 4564125 CLKHRPIAYPACCI-UHFFFAOYSA-N 351.403 2.204 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1c2c(nc3ccccc13)CCCCC2 4601861 LGGOEWVVFZPUEJ-UHFFFAOYSA-N 367.405 2.212 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(F)cc1 5062591 TXVJIYQSRUWDSY-UHFFFAOYSA-N 369.190 2.270 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)cc1 7845645 SYJZECJAPYOOMX-UHFFFAOYSA-N 350.374 2.425 0 40 FEAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)NC(C)(C)C)cnc12 12637536 DITMGZUTTPNDGR-CQSZACIVSA-N 373.453 2.332 0 40 FEAB CSc1ncc(C)c(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1 1888890979 DLTQLOHEVBRMSU-UHFFFAOYSA-N 369.498 2.493 0 40 FEAB Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O 3979001 IEVVSJFLBYOUCJ-GOSISDBHSA-N 372.285 2.013 0 40 FEAB biogenic,in-vitro O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 17835631 HSZNSVLYPJLCRF-XXHBBNRNSA-N 351.189 2.445 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055747853 YDJINVQIUZOPNI-ZGQVYYGYSA-N 355.463 2.268 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@@]1(CC2)CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 2055794354 OVUUVAAEQQTSDB-AVYPCKFXSA-N 373.501 2.116 0 40 FEAB Cc1nn(CCNC(=O)c2cccn(C)c2=O)c(C)c1-c1ccsc1 575614817 JJDPDFJMVPMFIT-UHFFFAOYSA-N 356.451 2.357 0 40 FEAB O=C(NCc1nc(-c2cccnc2O)no1)c1ccc(Br)o1 575616230 JAHFWLXNOOWUIF-UHFFFAOYSA-N 365.143 2.123 0 40 FEAB COc1ccccc1CCN1C[C@@H](C(=O)Nc2c(C)nn(C)c2C)CC1=O 218430902 PJNNJFVAITXUOO-INIZCTEOSA-N 370.453 2.075 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)C3CC3)cc(C3CC3)nc21 30126293 XGPQVGZVVLUCTM-NSHDSACASA-N 370.453 2.147 0 40 FEAB Cc1cc(CN2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)on1 40107266 KNYLPYYXPJINOP-UHFFFAOYSA-N 365.437 2.056 0 40 FEAB CCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1C 52876410 QUZHJEAIKHZWTL-UHFFFAOYSA-N 372.469 2.353 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1n[nH]c2ccccc12 22687396 SKQVYYYWMZENKJ-MRXNPFEDSA-N 350.422 2.194 0 40 FEAB CCOC(=O)c1c(NC(=O)CN2CCO[C@@H](C)C2)sc(C)c1CC 12344015 GYBKINHWYCPWEV-NSHDSACASA-N 354.472 2.455 0 40 FEAB CN(C)C(=O)Cc1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1 79501786 GMUDAPYOYUZKQA-UHFFFAOYSA-N 351.410 2.160 0 40 FEAB Cn1c(COc2ccccc2Cl)nn(CN2CCOCC2)c1=S 23995800 LGXXYTYYMZOVHO-UHFFFAOYSA-N 354.863 2.473 0 40 FEAB CCCCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1ccco1 4161440 IZPLZCDZKGRGMK-UHFFFAOYSA-N 366.443 2.110 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cncc(Br)c2)CC1 24064322 LRUOHGRJSXTJSO-UHFFFAOYSA-N 356.220 2.195 0 40 FEAB O=C(c1csc2c1CCCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1 55103737 LXCMIIKUQWDGEI-AWEZNQCLSA-N 362.495 2.338 0 40 FEAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(N(C)C)cc1 6961689 YNZPVXDEZCFGIY-GDNBJRDFSA-N 351.410 2.262 0 40 FEAB COc1ccccc1[C@H](NCc1ccc(C(N)=O)cc1)c1nccn1C 55374009 JHQNDFUZIYRSCN-SFHVURJKSA-N 350.422 2.407 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)cc1C(=O)O 55682017 IQRVFTOHMLGLBU-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 8035169 KOCSWQAENKMPPL-UHFFFAOYSA-N 358.341 2.363 0 40 FEAB O=C(CN1CSCC1=O)NCc1cccc(COc2ccccc2)c1 55990969 RULSJKQOMQHPLG-UHFFFAOYSA-N 356.447 2.415 0 40 FEAB CCc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)s1 58225342 LXMVSEOUHURGAY-LBPRGKRZSA-N 352.481 2.294 0 40 FEAB CC(C)CNC(=O)CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 35325959 BLOZFSNJQGIFTN-UHFFFAOYSA-N 368.481 2.007 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 57383824 XHPBVWJYDXXRCR-JTQLQIEISA-N 368.842 2.487 0 40 FEAB CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 26993518 KPORPXZBBCHVRJ-MRXNPFEDSA-N 366.417 2.469 0 40 FEAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(-n2cnnn2)cc1 57777504 IQUNPGQBFJNAIO-UHFFFAOYSA-N 359.336 2.236 0 40 FEAB NC(=O)C1CCN(Cc2nc(N)c3c4c(sc3n2)CCCCC4)CC1 27343477 LZGXKPTWFRJXAW-UHFFFAOYSA-N 359.499 2.240 0 40 FEAB CC(C)COC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccco1 58173475 BJTIWFGNNHXVNJ-INIZCTEOSA-N 370.405 2.406 0 40 FEAB CCNC(=O)NC(=O)CN1CCC[C@H]1[C@@H]1CCCN(Cc2ccccc2)C1 58108434 JTQHDTLCGPXOBN-MOPGFXCFSA-N 372.513 2.209 0 40 FEAB CCCS(=O)(=O)N1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1 58217865 GBNSBKAPKCZTMR-UHFFFAOYSA-N 364.511 2.429 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1CC(C)(C)CN1CCOCC1 100141116 NVFWKHDXSYVDRY-SJLPKXTDSA-N 369.513 2.458 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)[C@H](C)CCC3 2440241 FSEJHXAOIFGERL-RKDXNWHRSA-N 359.455 2.198 0 40 FEAB COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1C 3341680 FMYMRBIALHQGEN-UHFFFAOYSA-N 361.442 2.189 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CNC[C@@H]2COc3ccccc3O2)c1 2639313 KVZPZSCYPJCPEG-FUHWJXTLSA-N 357.406 2.059 0 40 FEAB Cc1nn(C)cc1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 2778311 OCIRJLZOLZUSMO-VIFPVBQESA-N 371.466 2.317 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(OC)ccc2OC)c1 63147384 PKLDQDMIRYYIDZ-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)c1 12917012 MFQSMMMAJLHJMW-ZDUSSCGKSA-N 362.451 2.403 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccsc3c2=O)s1 9112654 KJMRUTQAJDWTGR-UHFFFAOYSA-N 361.448 2.081 0 40 FEAB O=C(O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 13261814 ZPUSJNHISLMBKB-GFCCVEGCSA-N 350.802 2.016 0 40 FEAB O=C1N[C@H](c2ccncc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140100 LOIPLWAYKJCXIZ-XJKCOSOUSA-N 365.311 2.186 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12 5206952 ZCODWDVDQBQRJG-UHFFFAOYSA-N 355.394 2.137 0 40 FEAB C[C@H]1CCCN(CCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65497342 WIHQJLBTFILOND-ZDUSSCGKSA-N 353.413 2.166 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)Sc2nc([C@H]3CCCO3)n[nH]2)cc1 14085709 CUWJIZDAWIZBQS-SMDDNHRTSA-N 362.455 2.462 0 40 FEAB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2nnnn2C2CC2)o1 65512334 GEKOUVOERUKMPR-HNNXBMFYSA-N 351.414 2.253 0 40 FEAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 5345158 WERHGXLLPKAKLE-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB CCOC(=O)c1cccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)c1 5321608 HCLKTGOCXWCCKI-LBPRGKRZSA-N 366.377 2.168 0 40 FEAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679595 DDMGLHMRHXQVRJ-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 4769966 DFSJGBBBWBPESH-CQSZACIVSA-N 368.389 2.473 0 40 FEAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 6857294 BHRHBTWCIMVZSR-LBPRGKRZSA-N 363.483 2.455 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 4926477 DBTHVGUFPHCUIX-UHFFFAOYSA-N 371.345 2.040 0 40 FEAB O=C(NCCCc1ccccc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858515 DJFWFHVYXRKEGR-UHFFFAOYSA-N 372.446 2.116 0 40 FEAB CC[C@@H](OC(=O)c1ccc2c(c1)nnn2CC)C(=O)Nc1cc(C)on1 16117011 VIHQYLOQXVCGKI-CQSZACIVSA-N 357.370 2.322 0 40 FEAB CN(C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1 9512443 VANSIKQTHCSWKV-MRXNPFEDSA-N 354.410 2.182 0 40 FEAB C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-n2ccnc2)cc1 7983498 CGJVZANXNCADKI-HNNXBMFYSA-N 373.416 2.460 0 40 FEAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cn(CC)nc1C 17075843 PXVKLBWHGJCODB-NSHDSACASA-N 370.335 2.197 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 9724697 UGSCITFKZHFECA-CYBMUJFWSA-N 370.430 2.199 0 40 FEAB Cn1cnnc1C1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 89761924 OIZNGQLVCXDWBK-UHFFFAOYSA-N 365.441 2.471 0 40 FEAB COc1ccccc1CCNC(=O)c1c(-n2cnnn2)sc(C)c1C 36353827 PBKZRZVZHSLBNA-UHFFFAOYSA-N 357.439 2.322 0 40 FEAB Cc1cnc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)s1 72325386 AHPOWTLUIRZZDX-AWEZNQCLSA-N 370.434 2.041 0 40 FEAB biogenic COc1cccc(Oc2cc(C)nc(C3CCN(CC(N)=O)CC3)n2)c1 72361874 CTAFDKXFDRGRNF-UHFFFAOYSA-N 356.426 2.251 0 40 FEAB COc1cc(F)ccc1N1CCN(C(=O)c2cccc3nc(O)[nH]c23)CC1 566806723 VYBDJVXCZOZFQE-UHFFFAOYSA-N 370.384 2.379 0 40 FEAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 218427166 DKHUZSXPMRLOQT-DLBZAZTESA-N 364.898 2.492 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 195528632 TVEPOLWCTGHBLN-ILXRZTDVSA-N 363.458 2.483 0 40 FEAB CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2 96199884 DQVXMOLOSSCTCX-KRWDZBQOSA-N 356.470 2.083 0 40 FEAB O=C(c1ccccn1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050642 ZHOBIBXLLNIDFM-FQEVSTJZSA-N 353.397 2.486 0 40 FEAB O=C(c1cccs1)N1CCOC2(CCN(C[C@@H]3CCOC3)CC2)C1 96158932 DHJGJQKBIUIDFD-HNNXBMFYSA-N 350.484 2.092 0 40 FEAB O=C(c1ccccn1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96049384 KRCBEMSVFUEJNJ-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 96053193 GMAUXULMBMGBBP-OAHLLOKOSA-N 360.454 2.039 0 40 FEAB COc1ncccc1CN1CC2(C[C@H](OCc3ccccn3)CCO2)C1 247845440 MNBYRJTVUWPTTN-GOSISDBHSA-N 355.438 2.435 0 40 FEAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccc(C)s1)CC2 248059352 CQIJDJUGHUGIAQ-OAHLLOKOSA-N 372.556 2.177 0 40 FEAB C[C@H]1c2nc(CC(=O)N(C)C)cn2CCN1CCOCc1ccccc1 247985350 KMJQTXXNTLNOCY-INIZCTEOSA-N 356.470 2.107 0 40 FEAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)CC2)ncn1 257324618 WPMAPCRVVXDFQM-CYBMUJFWSA-N 356.401 2.200 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)ncn1 257215439 CQCNKZZWBDGEKD-LJQANCHMSA-N 355.438 2.414 0 40 FEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1 253479168 PAUUIRUBLOKSAJ-OAHLLOKOSA-N 359.451 2.228 0 40 FEAB C[C@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027913 JLKWMWWDAXZDEJ-SJCJKPOMSA-N 369.373 2.109 0 40 FEAB Cc1ncc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)[nH]1 630140790 NQIUJUWATMYBPS-HNNXBMFYSA-N 356.382 2.050 0 40 FEAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CC2(CCCOC2)C1 644480030 FKJODCZSHIHNTA-NRFANRHFSA-N 358.482 2.043 0 40 FEAB COc1cccc2c1CC[C@@]2(CO)NC(=O)Nc1cc(C)cc(C(N)=O)c1 1218244243 OLKKHEKZTGZQCJ-FQEVSTJZSA-N 369.421 2.058 0 40 FEAB CCc1cc(N2CCC([C@@H](C)NC(=O)c3ccnc(C)n3)CC2)nc(C)n1 1775992942 VGSMOEJVNOINNM-CYBMUJFWSA-N 368.485 2.481 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 47554872 XYAWLRPBMAAYBR-INIZCTEOSA-N 362.426 2.342 0 40 FEAB O=C(NCc1nncn1-c1ccccc1)C(=O)Nc1cccc2cccnc12 41912336 GDVBQJUNBRKXQZ-UHFFFAOYSA-N 372.388 2.070 0 40 FEAB O=C(NCc1cnccn1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595513 CFIHDCDPGNENLP-HBFSDRIKSA-N 364.449 2.185 0 40 FEAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 5367502 ZVXGRFAVMUVJCR-UHFFFAOYSA-N 369.377 2.399 0 40 FEAB COc1ccc(Cc2cnc(NC(=O)Cc3nnn(C(C)C)n3)s2)cc1 19455059 NRQMFSOLZRGSBA-UHFFFAOYSA-N 372.454 2.491 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CCc2ccccc2)CC3)C1 19709529 PNMIBIIPFXHQAQ-LJQANCHMSA-N 367.497 2.105 0 40 FEAB CC(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2644558 AVSOIUJHEYXPKR-UHFFFAOYSA-N 359.348 2.007 0 40 FEAB CCn1c(SCC(=O)C(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 5071579 VWHQPKCQNKGGJM-UHFFFAOYSA-N 355.485 2.411 0 40 FEAB O=C([C@@H]1CN(Cc2ccccc2Br)CCO1)N1CCCC1 1889128478 JSHGEIBRWCJLAY-HNNXBMFYSA-N 353.260 2.272 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 16694611 BVCVUSDHOWXBQC-RHSMWYFYSA-N 363.417 2.127 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)CN(C)C(C)C)C3)C2=O)n1 1565553372 WBZLAFRPALNADU-OAQYLSRUSA-N 372.513 2.071 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952125 HVHRWWKRUNEBCB-HNNXBMFYSA-N 365.433 2.217 0 40 FEAB CCOc1ccccc1NC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 4941386 MNOYOWXMPUCSAT-AWEZNQCLSA-N 362.426 2.216 0 40 FEAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cc1 13854407 MJXVNLLFWSVUPI-UHFFFAOYSA-N 367.449 2.370 0 40 FEAB O=C(NC1CCCC1)c1cnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 2055751076 FXMJGBQDVQVWOW-UHFFFAOYSA-N 369.469 2.249 0 40 FEAB Cc1cc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)nc(C2CC2)n1 2086886935 FZYXXZYPHNMNHM-IRXDYDNUSA-N 362.433 2.284 0 40 FEAB O=C(CSc1ccc(F)cc1)N1CC(c2nc(-c3cnccn3)no2)C1 49485402 OIUDFSJSUBIJTK-UHFFFAOYSA-N 371.397 2.384 0 40 FEAB O=C(CCc1ccccc1Br)N1CC(Nc2cnccn2)C1 675008054 SEAOZNXJEDOEPO-UHFFFAOYSA-N 361.243 2.495 0 40 FEAB CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C1CCCCC1 30475906 YSRDLHQROSEZEK-KRWDZBQOSA-N 360.433 2.427 0 40 FEAB Cn1c(-c2ccccc2)c(C(=O)N2CCO[C@H](C(N)=O)C2)c2ccccc21 50853039 SPSCSXZGFKEWSF-KRWDZBQOSA-N 363.417 2.172 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)N2CCOc3ccc(C)cc32)c1 51356994 YKHJQBSGVBURSL-UHFFFAOYSA-N 369.373 2.364 0 40 FEAB CN1CCN(Cn2cc(CC(=O)N3CCCCC3)c3ccccc32)CC1 20647437 QCSOYXDPCJBMCT-UHFFFAOYSA-N 354.498 2.401 0 40 FEAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3ccc(Cl)cc3C)cnc21 32767459 FAEYTEQPXDBQPV-UHFFFAOYSA-N 359.769 2.286 0 40 FEAB COc1cc(C)c(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1OC 32768217 JPBXPRMDHRXPMN-INIZCTEOSA-N 367.409 2.421 0 40 FEAB COc1ccc([C@@H](CNCC(=O)N2CCc3ccccc32)N(C)C)cc1 22038340 YSGAQWPOUMCEIO-HXUWFJFHSA-N 353.466 2.477 0 40 FEAB O=C(CN1CCOCC1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79486962 HSYVAYBOJMUJQK-UHFFFAOYSA-N 354.366 2.094 0 40 FEAB Nn1cc(-c2ccccc2)nc1SCn1nnc2ccccc2c1=O 4252116 MHRIKNBYGYHURJ-UHFFFAOYSA-N 350.407 2.119 0 40 FEAB CCc1c(C(=O)N(C)Cc2ccc(C)o2)cnn1-c1ccc(OC)nn1 24645216 KTSAFUOVAYKIHF-UHFFFAOYSA-N 355.398 2.407 0 40 FEAB O=C(O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 6473466 ANCRUIZRJBSARJ-GXTWGEPZSA-N 353.378 2.198 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 8218589 ASLKAXMUUPZSRZ-ZDUSSCGKSA-N 366.870 2.366 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]4[C@@H]4[C@@H]([C@@H]53)[C@]41C)C2 104291241 GITSGAOIQHAXTO-FJXFASFPSA-N 353.466 2.436 0 40 FEAB COc1ccccc1CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 27066894 FQUOEBNXRWXSEP-QRTARXTBSA-N 363.483 2.037 0 40 FEAB biogenic O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc2c(cc1O)OCO2 48263017 LPROVTJEQOLSKY-UHFFFAOYSA-N 356.334 2.325 0 40 FEAB Cc1cccc(C)c1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 58181426 JDDIBIDNQXRDFJ-UHFFFAOYSA-N 357.439 2.295 0 40 FEAB CCOC(=O)c1cc(S(C)(=O)=O)ccc1NCc1c(C)noc1C 58228711 JTAAIVMWISRXJA-UHFFFAOYSA-N 352.412 2.484 0 40 FEAB COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 58224381 VPOQYWVDLMUCDH-LJQANCHMSA-N 353.422 2.234 0 40 FEAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 58223920 XBEQUFKYYKIRPM-ZIFCJYIRSA-N 372.513 2.396 0 40 FEAB CN(c1ccccc1C(=O)OCc1cn2ccccc2n1)S(C)(=O)=O 58635489 CZAHWQRGGDZKMU-UHFFFAOYSA-N 359.407 2.087 0 40 FEAB CCc1ccc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)cc1 11086484 QLVWVFDDCFUHQU-UHFFFAOYSA-N 352.438 2.351 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1 45815589 IGAWMUMXCPSHRB-INIZCTEOSA-N 351.449 2.226 0 40 FEAB C[C@@H]1CCc2c(sc3ncnc(NCCCNS(C)(=O)=O)c23)C1 29530400 JQVLGILANUQNDO-SNVBAGLBSA-N 354.501 2.167 0 40 FEAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(N)=O)cc3C2=O)c1 3471816 ZDPRQIITGDZLSA-LBPRGKRZSA-N 366.373 2.135 0 40 FEAB Cc1cc(NC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)no1 12924770 WJTYSYFNZXQTNQ-LLVKDONJSA-N 371.397 2.211 0 40 FEAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(C(=O)O)cc2)C1=O 13272965 KOEMSJCDIVPXJI-CYBMUJFWSA-N 368.389 2.205 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832317 MCDPGRCGVHSCPX-YGRLFVJLSA-N 360.863 2.172 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 9156824 VTFLFHPPNPGPQV-CYBMUJFWSA-N 359.474 2.096 0 40 FEAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5060849 QOLFAARMVUNGCO-HNNXBMFYSA-N 354.406 2.373 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 408589383 HHLROSDWHCSQFT-LLVKDONJSA-N 372.874 2.028 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 5392572 DJFFMYDXBCLUEO-UHFFFAOYSA-N 350.465 2.203 0 40 FEAB CC[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14197614 ONKRFHBTJWQGEU-NSHDSACASA-N 360.863 2.346 0 40 FEAB Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 5443751 FRKNYHATEPTEKI-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 66687388 JXYTZASVEOSKQI-WFASDCNBSA-N 369.824 2.170 0 40 FEAB COC(=O)c1cccc(OCC(=O)NCc2ccc(OC)c(OC)c2)c1 7029670 JUPVJLFXVFIKNJ-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)c1ccncc1 306134419 NMTXFDLPLCORPY-GOSISDBHSA-N 362.437 2.050 0 40 FEAB Cc1cccn2cc(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 16209932 DUYLBNYFRXKHLQ-UHFFFAOYSA-N 373.434 2.250 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1cc(C(=O)NC2CC2)c2ccccc2n1 9501963 XOMYKPDRMIININ-SNVBAGLBSA-N 372.450 2.063 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1F 7975140 VSELAUBGCSABTL-NSHDSACASA-N 352.387 2.318 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)c1 8248739 RAQILRUVDKXHEX-KRWDZBQOSA-N 362.495 2.493 0 40 FEAB Cc1ccc(N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1 75146124 WJJMJOKPZURPAM-UHFFFAOYSA-N 351.516 2.402 0 40 FEAB O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 529466171 HCPYSDDHYRUTGT-RBSFLKMASA-N 371.405 2.265 0 40 FEAB COc1cc2nc(NN)n(-c3cnc4ccccc4c3)c(=O)c2cc1OC 408712850 WWKONVISCSOCFV-UHFFFAOYSA-N 363.377 2.237 0 40 FEAB O=C(c1ccncc1)N1CCC(Nc2ccc3nnc(C(F)F)n3n2)CC1 532639963 DTUFMWSWNLLJHD-UHFFFAOYSA-N 373.367 2.174 0 40 FEAB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccco1)N=2 33736414 OLBMGXBVMDKIMG-UZGISAJGSA-N 360.435 2.252 0 40 FEAB COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225105500 JKPPSAFUESNOIT-UHFFFAOYSA-N 371.361 2.342 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1Cc2ccccc2C(=O)O1 40161996 GVOWBKKZFBOXKQ-GOSISDBHSA-N 353.374 2.198 0 40 FEAB CCOC(=O)COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1 225925463 VGOSMVONYCONCJ-UHFFFAOYSA-N 374.437 2.216 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)nc1 223354088 VPBYIMZTIHPSSC-CQSZACIVSA-N 353.378 2.248 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccsc1C(=O)O 571931288 SOARFNHKCQGHMN-SNVBAGLBSA-N 354.453 2.287 0 40 FEAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1C 572737369 YVTRIJLVIGJRSE-MAZHCROVSA-N 365.451 2.032 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@@H]1C 225879194 KGOLNRAYYMUQFP-JTQLQIEISA-N 365.480 2.439 0 40 FEAB CCOc1ccc(CC(=O)N2CC[C@@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120062 GDZFKMRNANCASY-MRXNPFEDSA-N 353.484 2.442 0 40 FEAB O=C1CO[C@@]2(COCCN(Cc3ccc(F)cc3)C2)CN1c1ccoc1 96240189 FVYQZXMEGKNRGI-LJQANCHMSA-N 360.385 2.053 0 40 FEAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)COc1ccccc1)COC3 96112585 SUUQPXGNWIEJJJ-AWEZNQCLSA-N 367.405 2.311 0 40 FEAB biogenic,in-vitro CC(C)N1CC[C@H](c2nnc3ccc(C(=O)NCc4ccncc4)cn23)C1 96267454 UMKILYFXAKEQKV-INIZCTEOSA-N 364.453 2.252 0 40 FEAB O=C(Nc1c[nH]nc1-c1ccccc1F)c1cn(C[C@@H]2CCOC2)nn1 529205501 WJQDQSNXWCVKAA-NSHDSACASA-N 356.361 2.096 0 40 FEAB C[C@@]1(NC(=O)c2cccc(Cc3cccc(F)c3)n2)CCS(=O)(=O)C1 257237885 HIRPVOPIIGUANE-GOSISDBHSA-N 362.426 2.119 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)c(C)n1 257331271 XSCGQDLQZXXIAD-GFCCVEGCSA-N 353.430 2.085 0 40 FEAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1)c1ccccc1 252492711 MTQDJWIFNCLYCN-AUUYWEPGSA-N 365.433 2.205 0 40 FEAB COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cnc3n[nH]c(C)c3c2)c1 282523645 OWHFAKBZSJKVHK-YOEHRIQHSA-N 352.394 2.223 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)nnn1-c1ccc2ncccc2c1 621689170 DLTBHOKXARLPMP-MGPUTAFESA-N 362.437 2.077 0 40 FEAB CC1(CC(F)F)CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 645817536 GFTPLCNGCKRORD-UHFFFAOYSA-N 358.410 2.245 0 40 FEAB C[C@@](NC(=O)c1ccc(N2CCC(O)CC2)cc1)(C(=O)O)c1ccccc1 663140442 DDHFLHMEXAFENB-NRFANRHFSA-N 368.433 2.378 0 40 FEAB NN1C2=NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)CN2c2ccccc21 675019236 JSVMPFDFWBDWES-NSHDSACASA-N 369.812 2.381 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c(C)c1 96098783 PFKNAFZFVOFJLA-UHFFFAOYSA-N 363.487 2.335 0 40 FEAB CN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCc2ccccc21 26915773 YTMAFFJNZRXANE-IBGZPJMESA-N 365.481 2.135 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cncn2)C3)cc1 820604407 FIPPXIDRMNHPOY-GJZGRUSLSA-N 360.439 2.038 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN(CCn3c(C)csc3=O)C2)n1 54204274 LVWRRJKQKOCXBY-HNNXBMFYSA-N 360.483 2.272 0 40 FEAB CNc1snc(C)c1C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 58182169 PBDSEXDFBZXMJK-UHFFFAOYSA-N 373.482 2.447 0 40 FEAB Cn1ccc(CN2CCC(COc3cc4c(nn3)CCCC4)CC2)cc1=O 1565522454 QJCHONLQOGIIIK-UHFFFAOYSA-N 368.481 2.345 0 40 FEAB CNC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12567694 AKKCXKJVXUXDDS-OAHLLOKOSA-N 352.843 2.496 0 40 FEAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3cncc(N)c3)C2)on1 13226031 VRUUYDZKTLAJTQ-NSHDSACASA-N 370.438 2.499 0 40 FEAB COc1cc(C(=O)OCc2ccc(C)cc2)cc(OC)c1OCC(N)=O 16403441 VOUMZPQRWLDZRF-UHFFFAOYSA-N 359.378 2.233 0 40 FEAB CC(=O)N1CCc2nc(C3CCN(Cc4cccnc4)CC3)ncc2C1 19018903 PVFPJCDUFIMXIF-UHFFFAOYSA-N 351.454 2.156 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CCc2ccccc2)C3)C1 19711102 HUMBEVCHUUJGLO-GOSISDBHSA-N 353.470 2.062 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCC3(N(C)C)CCCC3)C2)c1 19750276 HTUBVZBQRWDJQQ-QGZVFWFLSA-N 373.497 2.148 0 40 FEAB O=C(NCc1nnc2n1CCOC2)N[C@@H]1CCCc2ccc(Cl)cc21 623936743 IGTRMWPJTBDWFB-CQSZACIVSA-N 361.833 2.339 0 40 FEAB CC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)C(=O)[C@@](C)(O)[C@@]2(O)C(=O)OC 253402291 OCPNGNBXODBFSW-RDZWOTEGSA-N 359.422 2.395 0 40 FEAB biogenic,in-vitro CC(=O)N1CCCN(C[C@@H]2CCCN(c3ncnc4ccccc34)C2)CC1 577578135 RSVHIYBNRQZKFB-SFHVURJKSA-N 367.497 2.400 0 40 FEAB O=C(COC(=O)c1cc2ccccc2cc1O)NC(=O)NCc1ccco1 3357770 PKJXLXAGVGVWDN-UHFFFAOYSA-N 368.345 2.321 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(F)cc1 3322834 NFLVNEQWVYCMPP-UHFFFAOYSA-N 361.417 2.477 0 40 FEAB COCCNC(=O)NC(=O)CN(Cc1ccccc1)c1ccc(C)cc1 10504610 ZGRSDNYERMZZBS-UHFFFAOYSA-N 355.438 2.474 0 40 FEAB Fc1cnc(N2CCC(Oc3ncc(Br)cn3)CC2)nc1 1888914082 ZAGTWCJIHQSGDC-UHFFFAOYSA-N 354.183 2.216 0 40 FEAB O=c1c2ccsc2ncn1CCNS(=O)(=O)c1ccccc1Cl 238960120 YJIVAWCJXPYCSF-UHFFFAOYSA-N 369.855 2.090 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cn(C)cn2)C1 2037845555 BMANKPGLCIIWMG-LBPRGKRZSA-N 370.482 2.116 0 40 FEAB Cc1nc2c(c(N3CCN(c4ccc5nc(C)c(C)n5n4)CC3)n1)CCC2 2087043810 XQURIDBFEMNBLK-UHFFFAOYSA-N 363.469 2.260 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1565546176 VFKDLZUAZQPNDO-SFHVURJKSA-N 365.449 2.377 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373808 LEWVPSKCFAMKJD-CQSZACIVSA-N 371.368 2.159 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c(C)c1 4940772 NIERQOHEVZYDRP-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccs1 8954925 REGZZVVDHQNQPK-UHFFFAOYSA-N 367.477 2.012 0 40 FEAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 13139382 MSDLDRZUHBRPKG-OKILXGFUSA-N 352.431 2.101 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(C3CC3)o2)CC1 38904838 NTRDVZQUPDTOII-UHFFFAOYSA-N 352.416 2.120 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)NCCCc2cnc3ncnn3c2)c1C 225646379 XBZCRZCCXGPYET-UHFFFAOYSA-N 373.482 2.269 0 40 FEAB CC(C)c1nc(CC(=O)NCc2ccnc(N3CCOCC3)c2)cs1 32638671 SHVGOROPUKLBQD-UHFFFAOYSA-N 360.483 2.357 0 40 FEAB COc1ccc([C@@H]2NN(C)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 102910341 YCILQXDYTKVXSL-FGTMMUONSA-N 351.406 2.053 0 40 FEAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)ccc2c1=O 103141721 GNGKZLIMCVTUTJ-JTQLQIEISA-N 371.466 2.238 0 40 FEAB COc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)ccc1OC(F)F 41869922 UHMUKWXZYXMKTD-AWEZNQCLSA-N 372.412 2.383 0 40 FEAB CNC(=O)CSC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 12389424 JQYALAGJRIYGFT-UHFFFAOYSA-N 368.466 2.113 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2F)CC1 47533428 OKCVDGCJFHNJLX-UHFFFAOYSA-N 365.449 2.498 0 40 FEAB COc1ccc(C(=O)CC(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 891588 RVDFGEDDZRLGEJ-UHFFFAOYSA-N 362.407 2.278 0 40 FEAB COc1cc(Cc2cnc(NC(C)=O)nc2NC(C)=O)cc(OC)c1OC 1706631 UXRXKBGRKRYPCP-UHFFFAOYSA-N 374.397 2.010 0 40 FEAB CNC(=O)c1cc(C(=O)NC)c[n+](Cc2c(Cl)cccc2Cl)c1 1723651 FGCIKEVZOQOYDW-UHFFFAOYSA-O 353.229 2.048 0 40 FEAB CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2087784 XSPWYPLOZXECSF-INIZCTEOSA-N 373.405 2.420 0 40 FEAB biogenic CCc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350990 SHVCYZKQNDUGHX-UHFFFAOYSA-N 373.482 2.242 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)OCc1nc(-c2ccccc2)no1 23493160 WCRJXXPZIFCWQR-UHFFFAOYSA-N 351.362 2.139 0 40 FEAB CCOC(=O)CNC(=O)CSc1nc(C)nc2sc(C)c(C)c12 4217450 JBUGQOFZQBTLMG-UHFFFAOYSA-N 353.469 2.388 0 40 FEAB CCc1cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)sc1C 23894446 GNJYGEVSPYYWOW-UHFFFAOYSA-N 373.526 2.351 0 40 FEAB CCOC(=O)[C@@](O)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 3138612 YNYLYXMXGHTXBI-NSHDSACASA-N 359.222 2.249 0 40 FEAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4858811 FHZGATSGERGMCC-CQSZACIVSA-N 359.455 2.194 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 6325772 MHEFUTZMGQIAMV-UHFFFAOYSA-N 368.499 2.449 0 40 FEAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cccc(F)c1)OCCO2 12541714 DXIAXMIKMCCCNB-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB CCCCNC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10434116 DVIVUMLEDQOHSA-LLVKDONJSA-N 362.879 2.419 0 40 FEAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1Cl 8346686 NSDGVWQWHFINLE-UHFFFAOYSA-N 372.805 2.405 0 40 FEAB O=C1[C@H]2N=NN(Cc3nc(-c4ccccc4)no3)[C@@H]2C(=O)N1c1ccccc1 101277455 GVWWWFAPIJDUQY-HOTGVXAUSA-N 374.360 2.230 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)CC1 12594307 WQLNJSCZUWACRX-UHFFFAOYSA-N 362.437 2.271 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 3240993 VHWPDHZVMSODCJ-ZMSDIMECSA-N 360.454 2.209 0 40 FEAB CN(C)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)ccn1 56040131 POORKSKTGBLSPB-UHFFFAOYSA-N 354.454 2.275 0 40 FEAB CC(C)CN1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1 84544239 QLGHUPGMYUCMOM-PMACEKPBSA-N 371.525 2.314 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC(F)(F)F)C1CC1 57029038 GKKHGOUEACMBGR-UHFFFAOYSA-N 366.361 2.369 0 40 FEAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(O)c1 9262203 PXBBMXBIVDXEPI-CVEARBPZSA-N 351.362 2.463 0 40 FEAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)NC(=O)NC(C)C)CC1 57358707 YQWMWFYTTQHHAH-CQSZACIVSA-N 366.893 2.393 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 35999878 PETTUSLHKJQRDZ-UPJWGTAASA-N 359.426 2.391 0 40 FEAB Cc1ccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)N(C)C)cc1 58178671 SYBJHVRXWQDZGW-IBGZPJMESA-N 364.449 2.124 0 40 FEAB CNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ncccn2)C1 58203292 DVMFUYBAPCOCRL-GFCCVEGCSA-N 373.844 2.345 0 40 FEAB C[C@@H](NC(=O)NCC(=O)NC(C)(C)C)c1ccc(NC(=O)C2CC2)cc1 58213894 VTYALHZNKBZHRA-GFCCVEGCSA-N 360.458 2.310 0 40 FEAB CC[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(C)on1 12743476 IXTVYNVODPMDSY-AWEZNQCLSA-N 355.350 2.399 0 40 FEAB NC(=O)[C@H]1CC(C(=O)NC2(c3ccccc3)CCC2)=NN1c1ccccc1 58417894 GQKVKODVVSJNDN-GOSISDBHSA-N 362.433 2.302 0 40 FEAB Cc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2cccc(Cl)c2)n1 57526723 NNWBIVQJBSPEAN-OAHLLOKOSA-N 361.829 2.167 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cnnn2)c1 12776201 VBCNQKOPUGDCDO-UHFFFAOYSA-N 361.365 2.109 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3cc(Cl)cc(Cl)c3)cnc21 11327708 FAWILDJCCURHKG-UHFFFAOYSA-N 366.208 2.466 0 40 FEAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@@H]1c1ncon1 175220618 CNPCRTGOZIMYKB-QZTJIDSGSA-N 370.453 2.414 0 40 FEAB COCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 48368997 CIUXGVZBCIGCFT-GFCCVEGCSA-N 369.259 2.297 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)ccc21 12995565 LKUACXRYRSNEKY-GOSISDBHSA-N 350.374 2.316 0 40 FEAB Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8879447 OXJFHPOCYUFVBN-UHFFFAOYSA-N 373.405 2.338 0 40 FEAB biogenic CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(F)c2)Oc2ccccc21 38851094 DZLZDDCTIWOVMS-INIZCTEOSA-N 364.398 2.382 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 13428409 NUSBQDDRAMRLID-BPUTZDHNSA-N 365.451 2.089 0 40 FEAB COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 4090254 UHBPGAZIRSJCPQ-HIFRSBDPSA-N 367.405 2.286 0 40 FEAB biogenic Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)N1CCOCC1 49550876 JPYJBUSRUORXSC-UHFFFAOYSA-N 362.813 2.090 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2cccc(Cl)c2)NC(=O)N[C@H]1C 6052803 NXAPJMZIPSBYIO-VIFPVBQESA-N 352.774 2.015 0 40 FEAB CN(C[C@H]1CCCN(c2ncnc3c2cnn3C)C1)C(=O)OC(C)(C)C 49980167 HMLPFGZYQQQOFM-CYBMUJFWSA-N 360.462 2.447 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1F 71328862 CXZJTVSQPWGVIJ-CQSZACIVSA-N 371.416 2.080 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)NCc1cccc(C(F)(F)F)c1 14016403 GRSRIPDDBFALPL-UHFFFAOYSA-N 362.311 2.127 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 65518046 VUSWHVPFDITZFM-RMRKRWHISA-N 362.499 2.117 0 40 FEAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC(=O)NCc1ccco1 5309919 DZRQDCBSONFCGP-UHFFFAOYSA-N 365.802 2.322 0 40 FEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)OCCO2 6553382 GQELWBOWDJIPNZ-UHFFFAOYSA-N 351.362 2.266 0 40 FEAB COc1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1OC 5577443 BCZDWUHVNCICAT-UHFFFAOYSA-N 369.377 2.212 0 40 FEAB O=C(COn1nnc2ccccc21)N1CCC(Cc2ccccc2)CC1 6601680 DEKCFAZJEPWCCV-UHFFFAOYSA-N 350.422 2.341 0 40 FEAB CCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@](=O)CCCCC 4772734 HBDJWXISPOPUAE-FEBSWUBLSA-N 356.575 2.030 0 40 FEAB NC(=O)c1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 6754839 QGJITQYLINQVBF-UHFFFAOYSA-N 359.451 2.362 0 40 FEAB Cc1ccc(NC(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 5938018 QNTRPASJEXESSG-INIZCTEOSA-N 354.362 2.267 0 40 FEAB CN(C)C(=O)[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 17728284 KIAQBXBBFNXHRL-INIZCTEOSA-N 361.419 2.076 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 8708951 ZFOHCWMDGYNAHQ-UHFFFAOYSA-N 368.480 2.491 0 40 FEAB O=C(CSc1nnnn1Cc1ccco1)Nc1ccnn1C1CCCC1 8704514 MMZPRCYPMRWPLI-UHFFFAOYSA-N 373.442 2.357 0 40 FEAB CCc1cc2c(NCC(=O)N[C@@H](CC(C)C)C(=O)OC)ncnc2s1 95985537 FDMWXBZWHIZFMI-ZDUSSCGKSA-N 364.471 2.370 0 40 FEAB Cc1ccc(F)cc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 9951267 DLWBFMXXDMRIRX-VIFPVBQESA-N 350.371 2.479 0 40 FEAB COc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 65196090 QHXKVSAOJYRFEO-UHFFFAOYSA-N 366.464 2.462 0 40 FEAB O=C(c1cccc(OCC(F)F)n1)N1CCC(C(=O)N2CCCC2)CC1 89646675 OJTPLXWHUYPWNO-UHFFFAOYSA-N 367.396 2.200 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CCn2cnc3c(C)cccc3c2=O)n1 23246902 ITAVPFMDIVMWDP-UHFFFAOYSA-N 367.453 2.115 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1C 408622940 OFFPLYQHEWIQES-OAHLLOKOSA-N 368.499 2.319 0 40 FEAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)CC 217430908 ZQFXYKGMXJHBHX-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(F)cc2)C1(CO)CO 218549897 UFROXKDZTPJNIG-JKSUJKDBSA-N 370.829 2.390 0 40 FEAB Cc1cccc(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1C 225861155 STFCWGRQQXEIOG-INIZCTEOSA-N 368.499 2.145 0 40 FEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)cc1 226389142 VGLRCBKEWISIEM-WVXCVLBUSA-N 350.418 2.359 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96110824 KYCPLWSESMJXLC-QGZVFWFLSA-N 355.438 2.401 0 40 FEAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)C2=CCN(C)CC2)CC1=O 332859493 AVULQLCBFNAUGW-WBVHZDCISA-N 371.481 2.123 0 40 FEAB Cc1cc(CN2CCn3cc(CC(=O)NC4CCCC4)nc3[C@H]2C)no1 247893003 GMGYBVCOAYIXDJ-CQSZACIVSA-N 357.458 2.358 0 40 FEAB C[C@@H]1[C@@H](CC(=O)N2CCOCC2)COCCN1Cc1cccc2[nH]ccc12 249688668 IKHOSLHOEUTRGA-AEFFLSMTSA-N 371.481 2.254 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)/C=C/c1ccc(C(=O)O)cc1 585139527 OVCGCPFSVFZMMJ-MKTWQISGSA-N 369.421 2.416 0 40 FEAB CCn1c(=NC(=O)c2cc(C)n(C)n2)sc2cc(C(=O)OC)ccc21 252463178 ZLGICTPATMYASC-UHFFFAOYSA-N 358.423 2.292 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4cccnn4)C[C@H]23)cc1 257318499 VOFAFXXKPQSVTP-ZHALLVOQSA-N 352.438 2.045 0 40 FEAB CC(C)Cc1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)n(C)n1 257264354 LUARDCJHRDAIQP-CQSZACIVSA-N 357.458 2.233 0 40 FEAB CC(C)(C)c1nc(C(=O)N[C@@H]2CCCN(c3nccnc3O)C2)cs1 275692285 MOYNFGDLCOBPKH-LLVKDONJSA-N 361.471 2.335 0 40 FEAB C[C@H](O)[C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 679585303 BWQQUBVWIMTPBO-DZGCQCFKSA-N 354.406 2.212 0 40 FEAB O=C(c1cnc2ccccc2n1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104255 UELWOPQPLRJHPD-UHFFFAOYSA-N 371.393 2.067 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)cc1 623173631 ZAAOEGURQHCZJN-MLGOLLRUSA-N 357.410 2.487 0 40 FEAB O=C(Nc1ccc(-n2nnnc2O)cc1)[C@@H]1CC[C@H](Cc2ccccc2)O1 1154321607 SNJHFRLNVMCJFG-SJORKVTESA-N 365.393 2.097 0 40 FEAB COc1ccc(C(=O)N2CC(F)(F)C[C@@]3(CCN(C)C3=O)C2)cc1F 585093305 OKYJOVGJTUERPI-INIZCTEOSA-N 356.344 2.164 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(C)CC1 585097589 NAYOETDTTSEXBN-MRXNPFEDSA-N 357.458 2.326 0 40 FEAB COc1ccccc1C1(CNC(=O)Cc2c(C)nn(C)c2C)CCOCC1 56460092 PVOUCPPVTTYZIJ-UHFFFAOYSA-N 371.481 2.453 0 40 FEAB COC(=O)Cc1sccc1C(=O)Nc1ccn(Cc2ccncc2)n1 1542746721 LUVBRNAGYKQZMK-UHFFFAOYSA-N 356.407 2.356 0 40 FEAB O=C1NC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)Oc2ccccc21 12116292 IMBPINSFVLDJBB-UHFFFAOYSA-N 366.421 2.043 0 40 FEAB Cc1ccccc1C1(O)CCN(C(=O)c2cc(-c3cnn(C)c3)[nH]n2)CC1 12116953 SUHZIUNJGNSPNM-UHFFFAOYSA-N 365.437 2.242 0 40 FEAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)nc12 12117782 DABANUPCNCEMJO-GJZGRUSLSA-N 367.453 2.169 0 40 FEAB O=C(NCCCO)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156901 KFZOPZUJRHEUFT-INIZCTEOSA-N 364.417 2.004 0 40 FEAB Cc1nc2cc([C@H]3CCCN3C(=O)Cc3ccccn3)nn2c(O)c1C 12222894 KDHQOANNORRXKX-MRXNPFEDSA-N 351.410 2.353 0 40 FEAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)n1 12231210 SXOPPAXEBRGDEX-BLLLJJGKSA-N 352.438 2.426 0 40 FEAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581266 LPQLUUVTBBDKAT-UHFFFAOYSA-N 360.451 2.151 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)OCc1cc(Cl)cc2c1OCOC2 14167753 RHRNCDLUDYQITM-UHFFFAOYSA-N 364.785 2.483 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 19289361 VUIVEIZREXWONB-ZDUSSCGKSA-N 351.410 2.392 0 40 FEAB CCC(CC)C(=O)NCCn1nc([C@H]2CCN(C(C)=O)C2)c2cccnc21 19500271 VASQOXSHLGYBFZ-INIZCTEOSA-N 371.485 2.320 0 40 FEAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cnccn1)C2 19562504 WNEVNQSZOFQEMX-LJQANCHMSA-N 353.422 2.479 0 40 FEAB Cc1nc(-c2cncnc2[C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)no1 19693848 RYODIEKCKRSUFI-CQSZACIVSA-N 371.441 2.236 0 40 FEAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19718887 BYBALPAOYJAIJN-AWEZNQCLSA-N 374.872 2.402 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)s1 225503879 JDTDUEAJCKRNFX-CYBMUJFWSA-N 361.471 2.300 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298819 MWCFMOFLAHNINA-AWEZNQCLSA-N 350.465 2.218 0 40 FEAB COC(=O)CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 7139877 AJGJMLDPVSJAOV-UHFFFAOYSA-N 354.384 2.418 0 40 FEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3c2ncnc3cc(F)ccc23)OCC1=O 1888870178 OKTCBBOIYLHRLI-FSWDVZBNSA-N 356.401 2.128 0 40 FEAB CN([C@@H]1CCN(c2ccnc(C3CC3)n2)C1)S(=O)(=O)Cc1ccccc1 1888876376 UAVDYPIZOOSJAN-QGZVFWFLSA-N 372.494 2.395 0 40 FEAB Cc1nc2ccc(N3CCN(c4ncnc5cnccc45)CC3)nn2c1C 2087050523 ZXQPNKZKARWIBF-UHFFFAOYSA-N 360.425 2.011 0 40 FEAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@@H]3C2=O)cs1 1565553442 YZMLGCCWUOYQFA-OCCSQVGLSA-N 372.450 2.048 0 40 FEAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1cccnc1 2975987 BKRHFRYXRQJXQD-UHFFFAOYSA-N 354.435 2.339 0 40 FEAB CSc1nnc(C)c(=O)n1COC(=O)c1cccc(Br)c1 4495786 VQBLXQRXEVHKSJ-UHFFFAOYSA-N 370.228 2.246 0 40 FEAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCc1nc2ccccc2[nH]1 49028291 UZBBMNXNSYCGRT-UHFFFAOYSA-N 365.418 2.165 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c(C)c1 30583688 QNZOTNACMHGLBQ-OAGJVSPASA-N 350.484 2.247 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccccn2)CC1 40107264 QLZPYDGOKYNCBQ-UHFFFAOYSA-N 361.449 2.154 0 40 FEAB CCCCn1nc(C(=O)N2CCN(c3ccccc3C)CC2)ccc1=O 40160105 DUBXQUXIDFUYIL-UHFFFAOYSA-N 354.454 2.314 0 40 FEAB COc1c(C)cnc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)c1C 50770592 CMDQKZDGKRNWFN-UHFFFAOYSA-N 351.406 2.407 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)c(OC)c1 20721805 WIONZMFAJQKSGU-CYBMUJFWSA-N 355.394 2.399 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O 51951715 PYXBJXCKGMSJMY-CABCVRRESA-N 350.415 2.283 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 32777575 AVUITPNRLOXUCO-UHFFFAOYSA-N 359.400 2.039 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32741211 WIPNNEZVUCDEFL-SFHVURJKSA-N 366.417 2.047 0 40 FEAB CC(C)NC(=O)Nc1cccc(C(=O)NCCC(=O)Nc2ccccn2)c1 52970062 XWIFLPTVSYSZJX-UHFFFAOYSA-N 369.425 2.370 0 40 FEAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@@H]1CCS(=O)(=O)C1 22611554 NOEQLGAKNNCEDW-LLVKDONJSA-N 365.480 2.270 0 40 FEAB O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 818463 IYOGYSWHPBUXBJ-ZDUSSCGKSA-N 354.447 2.285 0 40 FEAB CSc1nn(C)c2ncnc(NCC[S@@](=O)Cc3ccccc3)c12 97020957 LJRDCZCOVWLSBT-DEOSSOPVSA-N 361.496 2.446 0 40 FEAB COc1cccc(-n2cnnc2SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 6039922 UJEGLYWBIQOMBF-CHWSQXEVSA-N 362.455 2.004 0 40 FEAB Cc1ccn2c(NC(=O)Cn3cnnn3)c(-c3ccc(F)cc3)nc2c1 12547225 CNKFNQXQRHTGBU-UHFFFAOYSA-N 351.345 2.074 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccccc2NS(C)(=O)=O)c1 6553244 VQIJSZVFQRYEHI-UHFFFAOYSA-N 350.396 2.328 0 40 FEAB Cc1cc(N2CCOCC2)nc(SC[C@@H](O)COc2ccccc2)n1 6796869 UCETWXKJMHWMQF-HNNXBMFYSA-N 361.467 2.154 0 40 FEAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7387424 ZQGBLOSDUILZKD-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB Cc1nc2cc([C@H]3CCCN(C(=O)c4n[nH]cc4Cl)C3)nn2c(O)c1C 100137740 VMZYDUOVCAFDNU-NSHDSACASA-N 374.832 2.448 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 8475983 VITXBUULKUIQOF-UHFFFAOYSA-N 368.842 2.187 0 40 FEAB CCCn1c(SCCn2cccn2)nc2cc(S(N)(=O)=O)ccc21 58163702 MFMILTOCJSUBEU-UHFFFAOYSA-N 365.484 2.083 0 40 FEAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)c1 21694402 SEFDGLFRVDOVFW-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB Cn1c(=O)c2sccc2n2c(CN3CCOc4ccccc43)nnc12 58111739 MAQWNOSLUVFROL-UHFFFAOYSA-N 353.407 2.042 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(C(C)C)C2)nn1-c1ccccc1 58203440 IZOOCRSVNYRKSO-KRWDZBQOSA-N 368.481 2.391 0 40 FEAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(C(N)=O)CC1 12791416 ICFPQNWEBFIJPI-SNVBAGLBSA-N 359.348 2.110 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)n2ccsc2n1 10949042 VUVQPTHYTPRKLS-BONVTDFDSA-N 358.375 2.028 0 40 FEAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cn3cccn3)o2)cc1 28562335 DCUMJEXNLOIIMD-UHFFFAOYSA-N 353.378 2.306 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 28922507 DFSUUDVBRHCLSG-HXUWFJFHSA-N 370.449 2.195 0 40 FEAB CCn1nnc2cc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)ccc21 29073157 NJCNJSGQYQQORV-INIZCTEOSA-N 361.409 2.471 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 36773696 WNUAFDROKPQUMB-ZDUSSCGKSA-N 355.369 2.177 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1)NCc1cnn(-c2ccccc2)c1 12895846 HUKOSYWCVYTODS-UHFFFAOYSA-N 352.369 2.058 0 40 FEAB CC(C)C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914253 IJTZOJNDZDENHO-SNVBAGLBSA-N 364.261 2.214 0 40 FEAB Cc1csc(=O)n1CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 29994127 LXCGTRCXBQMFCM-NSHDSACASA-N 361.423 2.357 0 40 FEAB CCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C)c1 62580175 KDECBXSEXYUXQY-UHFFFAOYSA-N 358.442 2.107 0 40 FEAB CCC(CC)[C@H](CNC(=O)[C@H]1COc2ccccc2C1)N1CCOCC1 12937260 ILBOMHRGHXZFIR-MOPGFXCFSA-N 360.498 2.491 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 13056204 IOMDUXRNTWQOQX-OKILXGFUSA-N 367.515 2.162 0 40 FEAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC1CCCCC1 9154340 CLMYPCBFJDLMPQ-UHFFFAOYSA-N 368.503 2.457 0 40 FEAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1 9164696 LWSJQXHIHCQYSI-UHFFFAOYSA-N 370.384 2.000 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2cccc(N(C)C)c2)c1OC 72330032 WOLGLKQWYVEDSH-UHFFFAOYSA-N 372.421 2.243 0 40 FEAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(F)cc1 13722204 QYNQZSMDNQWWKM-UHFFFAOYSA-N 363.352 2.178 0 40 FEAB CC(C)c1nnc(NC(=O)NCc2cccnc2NCCN(C)C)s1 72306008 AWDAFFXNYWLAQT-UHFFFAOYSA-N 363.491 2.352 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 4550978 QPNHSOBPFBSVAQ-LPHOPBHVSA-N 365.433 2.378 0 40 FEAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 5404975 LDMVQYWXIBGCAX-UHFFFAOYSA-N 372.396 2.387 0 40 FEAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 4988559 HPDFRBXUSVSTGR-GFCCVEGCSA-N 355.394 2.292 0 40 FEAB C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCc2ccccc21 7738056 KTVVEYWTEXATKS-UGSOOPFHSA-N 353.374 2.347 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 16199592 IVFYMWTWETVFRG-UHFFFAOYSA-N 354.378 2.309 0 40 FEAB C[C@@H](NC(=O)COc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 8344212 KPIYDBXOHOAIIS-GFCCVEGCSA-N 357.362 2.443 0 40 FEAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1c(Cl)cccc1Cl 9724734 BCALQMGWYSULCF-UHFFFAOYSA-N 364.192 2.375 0 40 FEAB CCOc1cc2c(cc1NC(=O)c1nc3nccc(C)n3n1)O[C@H](C)C2 18238269 QACOSUKMBJIGPV-LLVKDONJSA-N 353.382 2.407 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC(=O)Nc2cccnc21 95956557 SHLMLNYMWZAATE-UHFFFAOYSA-N 350.382 2.315 0 40 FEAB CC(=O)Oc1ccc2occ([C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 74938360 PFFPHYYANJHODY-LSDHHAIUSA-N 363.391 2.285 0 40 FEAB CCn1cc(CN2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1 306136959 QHKXQUCQWPEIFD-LJQANCHMSA-N 352.442 2.096 0 40 FEAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 22540069 WVWKPNCIILOWKO-HZPDHXFCSA-N 352.500 2.461 0 40 FEAB O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1553419684 GWTIRNOWIZJIEC-KKUMJFAQSA-N 366.343 2.349 0 40 FEAB Cc1cccc2c1OC[C@H](NC(=O)N1CCN(c3ccccn3)CC1)C2 521710136 QYZXRDJPJZSRCY-QGZVFWFLSA-N 352.438 2.225 0 40 FEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217501808 AGNXEKCULYRLBY-CQSZACIVSA-N 370.471 2.444 0 40 FEAB O=S(=O)(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccs1 70762591 ASOTVRCFEXXERB-GFCCVEGCSA-N 351.371 2.477 0 40 FEAB Cc1c([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)cnn1C 36619013 UIGDPVWZKXYUMR-LBPRGKRZSA-N 361.409 2.324 0 40 FEAB Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 49026884 MGCIYIJMLDJWKQ-LBPRGKRZSA-N 365.329 2.499 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c(C)o1 75170981 CVGBBEWDSSZLQZ-UHFFFAOYSA-N 352.394 2.142 0 40 FEAB CO[C@H](CS(=O)(=O)N1CCC[C@@H](CC(=O)O)C1)c1ccc(F)cc1 530137038 BKDFRNZGEKTUPD-SWLSCSKDSA-N 359.419 2.030 0 40 FEAB CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2C)CC1 49462011 XKSAUOAZVQCLOA-UHFFFAOYSA-N 352.500 2.106 0 40 FEAB COc1ccc(CN2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 96048781 GMESTKUPVUKHSY-HXUWFJFHSA-N 354.454 2.448 0 40 FEAB COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1C 96207986 YARWJMPAZRWNBA-OAHLLOKOSA-N 356.463 2.090 0 40 FEAB CCN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2 96199995 CYLYJVLAFQVQBO-QGZVFWFLSA-N 353.470 2.186 0 40 FEAB CN1CCC[C@@H](CNC(=O)c2coc(C3CCC3)n2)[C@@H]1c1ccnn1C 583621058 SVVRJRUEXMZYEY-WMLDXEAASA-N 357.458 2.489 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@@H]21 96043509 DQVYHAHQWIXZRT-GUDVDZBRSA-N 352.438 2.342 0 40 FEAB CCc1cnc(N2CCO[C@@H]3CN(Cc4ccccn4)CC[C@@H]3C2)nc1 96249775 LUCNAXNQQKGOJP-IEBWSBKVSA-N 353.470 2.161 0 40 FEAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccs2)[C@@H](C(=O)O)C1 248147924 WHGCNHKZWDOEMO-HUUCEWRRSA-N 359.451 2.333 0 40 FEAB Cc1c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)sc2ncnc(O)c12 257326617 WXXFGIQKNWQOHG-JKCQUFRZSA-N 358.467 2.450 0 40 FEAB CCn1cnc2c(NCc3ccccc3CN3CC[C@@H](O)C3)ncnc21 273045554 AQNFCABQOGOLFE-MRXNPFEDSA-N 352.442 2.025 0 40 FEAB CCN1C(=O)CO[C@H](c2nc([C@@H]3CCC[C@@H]4C[C@H]43)no2)[C@H]1c1nccn1C 624650776 LJSVOCOYUXIONS-UVQHHTHUSA-N 371.441 2.368 0 40 FEAB CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CCc2noc4ccccc24)[C@H]31 632329391 AWCNIIZAEYLUGJ-QHEVRDBASA-N 362.451 2.055 0 40 FEAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)N1CCc2ccccc21 96119130 DOGJKIUIJNTOBN-UHFFFAOYSA-N 350.378 2.229 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cccn2C1 585099106 MOPJUYACDQSMAL-OAHLLOKOSA-N 362.433 2.445 0 40 FEAB COc1ccc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc1Cl 585093425 VWDOMQISYZQDHH-HNNXBMFYSA-N 358.772 2.336 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)cc12 58440791 VIRDPIICEXHDKX-HZPDHXFCSA-N 373.457 2.469 0 40 FEAB CNC(=O)c1cccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 57387523 YOAZDGALDMMXFD-HNNXBMFYSA-N 355.419 2.488 0 40 FEAB CCOc1ccc(NC(=O)CNC(=O)c2n[nH]cc2C(F)(F)F)cc1 630829855 RKNHYDPIULPNDM-UHFFFAOYSA-N 356.304 2.196 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 5133951 DHSCQDGGRCVYBX-UHFFFAOYSA-N 362.407 2.463 0 40 FEAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCCC(=O)O 13382110 NTMSYRJBWHIODD-SSZFMOIBSA-N 368.389 2.057 0 40 FEAB biogenic C[C@@H](CCc1ccccc1)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688919 CHJAOQJZQLRPBT-RYQLBKOJSA-N 354.450 2.465 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2cccs2)cc1 14232495 PRDBVRJGCPOQHP-UHFFFAOYSA-N 352.481 2.036 0 40 FEAB O=c1nc(-c2ccc(F)cc2F)c(-c2nnnn2-c2ccccc2)c[nH]1 16523877 LSVSDLTWHXNBHH-UHFFFAOYSA-N 352.304 2.358 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 19347575 CUDNLIAGXZCUCA-CQSZACIVSA-N 366.400 2.427 0 40 FEAB COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2 19740392 DSORTIDKTYJFEL-HNNXBMFYSA-N 360.458 2.030 0 40 FEAB CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 155435873 CFWUIOFAGVXHEG-LSTHTHJFSA-N 359.514 2.029 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1n[nH]c2ccccc12 12574971 SNKSTQWDLLABPT-HNNXBMFYSA-N 356.451 2.428 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 1888866763 IEFCECHNKUMZSD-LBPRGKRZSA-N 372.450 2.462 0 40 FEAB COc1cnccc1C(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614935826 XIZBOLRFYIGFQC-FQEVSTJZSA-N 366.421 2.145 0 40 FEAB Cn1cnnc1SCc1cc(=O)c(OC(=O)c2cccc(F)c2)co1 4518866 PRGNFFSNNCHVHT-UHFFFAOYSA-N 361.354 2.419 0 40 FEAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1 4916292 YNBTXLATNMHHLA-UHFFFAOYSA-N 369.450 2.322 0 40 FEAB Cc1ccccc1-c1noc(CSc2nc(C)c(CCO)c(=O)[nH]2)n1 12415731 OZTWRWZAOGOLHU-UHFFFAOYSA-N 358.423 2.264 0 40 FEAB Cc1cc(OC[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccn1 1775972286 WIBDUHNLUKRMSS-HNNXBMFYSA-N 365.455 2.475 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)/C=C/c1ccccc1 206734416 FGHRVHFUIRQKIT-CMDGGOBGSA-N 353.426 2.031 0 40 FEAB CCc1nc2sc([C@H](c3ccccc3)N3CCN(C)CC3)c(O)n2n1 22577795 FUOJRCLNSMCZRH-HNNXBMFYSA-N 357.483 2.396 0 40 FEAB O=C(c1cnc(Cc2ccccc2)s1)N1CCN(C(=O)C2CC2)CC1 87002404 FLANWVHLFUIZKN-UHFFFAOYSA-N 355.463 2.428 0 40 FEAB CN(CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 40072642 PYWVRRNPVOHNIK-KRWDZBQOSA-N 366.465 2.073 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2cccnc2N2CCOCC2)cc1 32017524 GHJNAJZTTLPFMG-RMKNXTFCSA-N 353.422 2.256 0 40 FEAB COc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1OC 21056582 IJIVVNMPXTYXQC-KBPBESRZSA-N 350.459 2.321 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](CO)Cc3ccsc3)CC2=O)cc1 32803181 OVTSFQJHNHWWPM-SJORKVTESA-N 372.490 2.377 0 40 FEAB COC(=O)C[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1cccs1 32900783 OHZKGJBAUZNWGN-GXTWGEPZSA-N 374.418 2.258 0 40 FEAB COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1N1CCOC1=O 103798597 KUHJQQPERUOLRU-GREKMHCPSA-N 372.377 2.113 0 40 FEAB Cc1nc2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2nc1C 47122792 LCQDSLRBTGSXMC-UHFFFAOYSA-N 359.393 2.152 0 40 FEAB COc1ccc(CNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 42210386 ILYASJKVWZIPIP-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 47415997 BQNCEJLTGVQCIY-GASCZTMLSA-N 352.500 2.188 0 40 FEAB CC[C@@H]1CN(C)c2ccccc2CN1CCCN1C(=O)NC(C)(C)C1=O 79074077 QMNCFBUIJLBRMH-MRXNPFEDSA-N 358.486 2.438 0 40 FEAB CCCCc1nnc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)s1 23364506 CYPDWWIJTVNSFR-UHFFFAOYSA-N 373.438 2.185 0 40 FEAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)s1 6679606 UMUWDWRDCAFYAC-UHFFFAOYSA-N 372.497 2.253 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cs1 6681647 GRBOFQYIETVWKW-UHFFFAOYSA-N 368.436 2.021 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)C1 106115495 BMEPCEBPVKBFGC-YJBOKZPZSA-N 362.495 2.337 0 40 FEAB Cc1cc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)o1 7736333 UXWVHMQPWSYXGI-UHFFFAOYSA-N 358.394 2.425 0 40 FEAB COc1ccc(Cc2nnc(Nc3ccc4c(c3)OCCO4)[nH]c2=O)cc1 10257257 VWRBMWBPYNIVLU-UHFFFAOYSA-N 366.377 2.279 0 40 FEAB Cc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 10447861 MYXQKSCWOQECKI-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12526001 ZHZVIEWIEHJZLR-INIZCTEOSA-N 360.435 2.396 0 40 FEAB O=C(NOCc1ccccc1)c1ccc(=O)n(CCOc2ccccc2)n1 25038681 DVVSQLKHMXFILJ-UHFFFAOYSA-N 365.389 2.184 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CCN(CC1CCOCC1)C2=O 108525073 JGOSBOSKOZGXLR-FQEVSTJZSA-N 360.502 2.051 0 40 FEAB Cn1ncc2c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)ncnc21 12564556 PBQRXHKMYXHLGM-UHFFFAOYSA-N 360.443 2.184 0 40 FEAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)Cc1ccc(F)cc1 25369349 ASBICWDQRDQRET-UHFFFAOYSA-N 369.414 2.471 0 40 FEAB COc1ccc(CN(Cc2cc(C)on2)[C@H]2CCS(=O)(=O)C2)cc1 27652407 JWBZNQRRLKWRDC-INIZCTEOSA-N 350.440 2.181 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)CCO1 58208678 QHTRURNYEXGAPW-AWEZNQCLSA-N 364.446 2.351 0 40 FEAB CC[C@H](C)[C@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)O 12764561 FHSBFVYPKANALJ-ONGXEEELSA-N 360.505 2.314 0 40 FEAB CCCc1noc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 28262155 BKXDKMKKKVSKSF-UHFFFAOYSA-N 369.425 2.391 0 40 FEAB CC(C)(O)[C@H]1Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2[C@@H]1O 36374961 DMNFLFWDOVOSQV-OALUTQOASA-N 370.357 2.437 0 40 FEAB biogenic COc1cccc(C2(C(=O)N3CC(n4cc([C@@H](C)O)nn4)C3)CCCC2)c1 95998093 ZQDSHSZRHDNFCD-CQSZACIVSA-N 370.453 2.235 0 40 FEAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 46703618 QQNGKADZSUXKNY-GFCCVEGCSA-N 366.414 2.453 0 40 FEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCCC2)c1 22230031 MQNMLRHNVUDQLC-MRXNPFEDSA-N 366.483 2.169 0 40 FEAB C[C@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 22931621 BTOBCYPHUSOXMM-GOSISDBHSA-N 372.513 2.034 0 40 FEAB CS(=O)(=O)NCCNC(=O)N1CC=C(c2cccc3ccccc23)CC1 63786946 ANMFLLHEHFKFSU-UHFFFAOYSA-N 373.478 2.188 0 40 FEAB CN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CCN1CCCCC1)C2=O 4239849 TWQFHMCEYSFRAR-SFHVURJKSA-N 372.444 2.104 0 40 FEAB CC[C@H](CO)NCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13717750 MXHNJSXLZKJPQS-OAHLLOKOSA-N 369.425 2.324 0 40 FEAB CCc1noc(C)c1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 5167465 OWDZVMOLEXGMLA-UHFFFAOYSA-N 356.338 2.391 0 40 FEAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)n1cnc2ccccc2c1=O 5246920 UWEUCTGJKWKYDG-MRXNPFEDSA-N 350.378 2.085 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 9386595 KUUMTBDDAYIICP-XOBRGWDASA-N 373.453 2.154 0 40 FEAB CCCNC(=O)CN(C)C(=O)c1cccc(OCc2c(C)noc2C)c1 14119282 YMLCZARNHRKJPP-UHFFFAOYSA-N 359.426 2.469 0 40 FEAB O=c1[nH]c(CSc2n[nH]c(=O)n2Cc2ccccc2)nc2ccsc12 14108572 OGEBKZBLNALPSU-UHFFFAOYSA-N 371.447 2.210 0 40 FEAB Cc1nc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2s1 6664870 HBUYKROACQBKLK-UHFFFAOYSA-N 352.375 2.387 0 40 FEAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](C)CCc1cccn1C 95466057 WQDOIIPCCSLFII-GFCCVEGCSA-N 368.455 2.267 0 40 FEAB COc1cccc(CN(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c1 6938870 FVKXKGCJFADNMJ-QGZVFWFLSA-N 359.422 2.433 0 40 FEAB CC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 7669229 CVSTXFSZKQLCNB-UHFFFAOYSA-N 354.406 2.322 0 40 FEAB O=C(COC(=O)c1cccnc1N1CCCC1)Nc1ccc2c(c1)OCO2 16289776 CIAFIGKKICQWHR-UHFFFAOYSA-N 369.377 2.206 0 40 FEAB CCO[C@@H]1C[C@@H](OC(=O)Cn2nnc3ccccc3c2=O)C12CCCCC2 84800872 IABWEEQOVBBPKQ-IAGOWNOFSA-N 371.437 2.463 0 40 FEAB COc1cc(C(=O)O)c(NS(=O)(=O)c2cccs2)c(OC)c1OC 8718241 DNJUKHZLOKBIDP-UHFFFAOYSA-N 373.408 2.273 0 40 FEAB Cc1ccc(CCC2CCN(C(=O)CN3CCCS3(=O)=O)CC2)cc1 84148801 ISXSJXWOJYMRJV-UHFFFAOYSA-N 364.511 2.202 0 40 FEAB CC[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1noc(C)n1 72310249 RAUFCPUAQZCNJO-HNNXBMFYSA-N 361.427 2.052 0 40 FEAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O 72325961 XZDIBCIRVAKPNF-AWEZNQCLSA-N 351.406 2.085 0 40 FEAB biogenic Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1cccc(NC(N)=O)c1 72307420 ORPQBMAVALCZAZ-UHFFFAOYSA-N 365.459 2.050 0 40 FEAB C[C@H]1[C@@H](C)Sc2ccccc2N1CC(=O)N1CCN(C(=O)C2CC2)CC1 75106261 GBXBJPRSBYLCBJ-LSDHHAIUSA-N 373.522 2.457 0 40 FEAB CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 22274657 VXQUPRHBQQWYEC-UHFFFAOYSA-N 368.842 2.290 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)cc1 20015375 CEWVYSBCBCSWNL-UHFFFAOYSA-N 368.405 2.043 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1C 408601548 BJLYEQDLUUSSRE-CQSZACIVSA-N 356.488 2.223 0 40 FEAB C[C@@H](CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 32847987 FQKKJJYSLJFNOK-AWEZNQCLSA-N 372.446 2.006 0 40 FEAB CC(C)N1CCO[C@@H](Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)C1 530250997 NOKLHMIKZKNYHS-GOSISDBHSA-N 352.442 2.240 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)n1 72335606 GVTGYXNVTRJXRU-HNNXBMFYSA-N 353.470 2.410 0 40 FEAB CCOC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 72327109 MGRVMCVTHGHDNW-UHFFFAOYSA-N 362.861 2.183 0 40 FEAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224043816 SPIGTMLXTBMPCF-UHFFFAOYSA-N 374.875 2.378 0 40 FEAB Cc1noc(-c2ccn3c(CNC(=O)c4sc(C)nc4C)nnc3c2)n1 225744602 BDPQKLBUAMXMMQ-UHFFFAOYSA-N 369.410 2.091 0 40 FEAB Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 132352202 JSWSMKYIENZTPF-ZDUSSCGKSA-N 356.401 2.483 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2Cl)s1 225226713 IWNYPQWGCBKKEG-UHFFFAOYSA-N 373.843 2.474 0 40 FEAB CCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 223876567 GUMPWWURZQWCLS-UHFFFAOYSA-N 354.457 2.177 0 40 FEAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 91781244 HQMUQRKANCPDFR-NRFANRHFSA-N 367.497 2.262 0 40 FEAB O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524729651 BZJSJZGONMFJRN-WWGRRREGSA-N 354.410 2.143 0 40 FEAB biogenic Cc1ccccc1CN1CC2(C[C@H](CCOCC(=O)N(C)C)CCO2)C1 248017770 QRWZTYJHCYOUJY-GOSISDBHSA-N 360.498 2.471 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 257212059 CBTFXPWLLFFLSX-KRWDZBQOSA-N 353.422 2.122 0 40 FEAB O=C(c1ccccc1-n1ccnn1)N1CCC[C@@H](OCC(F)(F)F)C1 544195145 AUBZOAIESCUXQN-GFCCVEGCSA-N 354.332 2.451 0 40 FEAB C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)Cc1ccsc1 618254687 DBWPFLAMLCHNQD-KRWDZBQOSA-N 367.492 2.022 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@H]2CN3C(=NC2=O)N(N)c2ccccc23)c1 618255871 AVVDKCCAKHEUKA-AWEZNQCLSA-N 363.421 2.345 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(-c3ccccc3CO)cc12 623169982 VIZXYJKWESBRNQ-HNNXBMFYSA-N 357.435 2.259 0 40 FEAB Cc1ccccc1Cc1noc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)n1 643961803 GQJTWJYIRBICHR-KURKYZTESA-N 356.470 2.046 0 40 FEAB C[C@@H](C(=O)N1CCOCC2(CCCC2)C1)n1nnc(-c2ccccc2)n1 681280397 HREDLELJEOUXFR-HNNXBMFYSA-N 355.442 2.320 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)Nc2nnc(CC(C)C)s2)C1 1775957838 PITNETIVPSWEBA-WDEREUQCSA-N 366.447 2.422 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)CC[C@H]1OC 585277355 VHLZGNPVEVDIPB-GDBMZVCRSA-N 352.862 2.272 0 40 FEAB O=C1CCCN1CCCN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585289671 UPWCWBYIHIHIFS-YQVWRLOYSA-N 350.434 2.089 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1csc2c1CCCC2 30583717 HFXVLZHPNDHBPO-LBPRGKRZSA-N 356.513 2.171 0 40 FEAB Cn1nc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)ccc1=O 47371865 WHJVZKLWPHRQRI-UHFFFAOYSA-N 372.388 2.485 0 40 FEAB CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 48367667 QGNKETXRKXPBEU-UHFFFAOYSA-N 354.815 2.347 0 40 FEAB COC(=O)N1CC[C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 76041727 BCAUHGWCDJIKNL-GFCCVEGCSA-N 368.817 2.001 0 40 FEAB C=CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(NC(C)=O)C(=O)NC(C)(C)C 144651443 PSNFRMXIQNDKLS-AUUYWEPGSA-N 367.490 2.219 0 40 FEAB COc1cccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)c1 12158184 HZNVHGKZAFBDSI-UHFFFAOYSA-N 369.446 2.339 0 40 FEAB O=C(c1cc(F)ccc1F)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12407195 NJPUCAOTJLSYPH-AWEZNQCLSA-N 370.363 2.318 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nnc3n2CCCCC3)c1C 13018370 KCWFXTKBHGRZKY-UHFFFAOYSA-N 359.430 2.008 0 40 FEAB CCOC(=O)N1CCN(Cn2nc(C)c3nc4ccccc4nc32)CC1 16682952 MMKSQFWNRZCJKZ-UHFFFAOYSA-N 354.414 2.020 0 40 FEAB CNc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CCN(C(C)=O)C2 19707309 HRJWQSJIFKLAPT-QGZVFWFLSA-N 371.485 2.277 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)n1 169680638 LRWTYMVGOKIRTD-XHSDSOJGSA-N 365.433 2.247 0 40 FEAB COCCNC1=NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S1 3374396 SQPLGPFIJBSGKH-GFCCVEGCSA-N 355.847 2.211 0 40 FEAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2nnc([C@H]3CCOC3)o2)C1 2086939626 NYWTUOWKLHWWCF-KBPBESRZSA-N 350.463 2.042 0 40 FEAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C[C@@H]32)o1 1565552335 ZXNSIPBSXWPWLT-UMVBOHGHSA-N 358.398 2.278 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 5314707 SYRGNPNAKFGUNM-UHFFFAOYSA-N 360.435 2.416 0 40 FEAB Cc1nn2c(=O)[nH]c(SCC(=O)N3CCCC3)nc2c1-c1ccccc1 9107381 GDIWBPZSXWICNQ-UHFFFAOYSA-N 369.450 2.108 0 40 FEAB CC(C)Oc1cccc(C(=O)N2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)c1 2055837457 DFPWLGPFFJUTSF-VQIMIIECSA-N 356.426 2.312 0 40 FEAB COCn1nc(Br)nc1C(=O)CCCO[C@H]1CCCCO1 1772715265 KXORDRHCAXZZNG-NSHDSACASA-N 362.224 2.151 0 40 FEAB Cc1nnc(CN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)o1 1775974543 JABFNHZGKNEUPE-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2 32087904 DUWLOQMNQCWCFS-UHFFFAOYSA-N 360.391 2.379 0 40 FEAB COc1ccc(OC)c(CNC(=O)NC[C@@H]2COc3ccccc3O2)c1 31033899 AMFGINSBHSYIEX-OAHLLOKOSA-N 358.394 2.343 0 40 FEAB COC(=O)c1sccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 100783747 OMIFHJHJQBHXQA-PHIMTYICSA-N 364.423 2.039 0 40 FEAB CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1 31749110 PPKYTXMRVACESQ-UHFFFAOYSA-N 355.419 2.073 0 40 FEAB CCOc1ccccc1C(=O)N1CCN(Cc2nc(C3CC3)no2)CC1 52001318 PYQQSWFYQYPISZ-UHFFFAOYSA-N 356.426 2.304 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 21898630 AAPHJEKJIXDJSD-AWEZNQCLSA-N 372.487 2.150 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 1761389 QIPCYCBWKGPECJ-CABCVRRESA-N 370.515 2.313 0 40 FEAB COC(=O)c1ccc(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 4194902 LOHFZFTVLICTSQ-INIZCTEOSA-N 365.470 2.227 0 40 FEAB CC[C@@H](C)Sc1nnc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975992 JOQNWGLCEGIOKR-AXFHLTTASA-N 372.516 2.251 0 40 FEAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6681445 QESANNXXFJHWLG-UHFFFAOYSA-N 354.453 2.267 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccccc1Cl 6817885 NHJOLDRXULTQFU-UHFFFAOYSA-N 372.859 2.228 0 40 FEAB COc1ccc(NC(=O)CNS(=O)(=O)Cc2ccccc2)cc1Cl 25134855 FEGSTWCNGRBHLZ-UHFFFAOYSA-N 368.842 2.407 0 40 FEAB O=C(CNC(=O)c1ccccc1F)Nc1nnc(-c2ccccn2)s1 95369311 WPSTZIFRORPUGV-UHFFFAOYSA-N 357.370 2.108 0 40 FEAB Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)sc2ncn(C)c(=O)c12 25421404 MHPVMRYPKSICJG-CQSZACIVSA-N 370.478 2.336 0 40 FEAB CC(C)[C@@H](CNC(=O)NCc1ccccc1-n1ccnc1)N1CCOCC1 56895068 SJOVPXYNBCJVBH-LJQANCHMSA-N 371.485 2.028 0 40 FEAB O=C(NC[C@@H]1COCCO1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 57080199 REBPRCKPWQIYSO-SJLPKXTDSA-N 370.453 2.023 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)C1(c2cccc(F)c2)CCOCC1 57193408 ZVRHDGZQNYRGDA-UHFFFAOYSA-N 350.434 2.247 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100599242 RDHSGYGWVJJQLA-IIDMSEBBSA-N 350.484 2.190 0 40 FEAB O=C(NCCNC(=O)C1CC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 58227818 UCWCYMPSPYXRCR-HNNXBMFYSA-N 367.396 2.491 0 40 FEAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12786731 WIRKSGYUNVRDCP-UHFFFAOYSA-N 369.874 2.451 0 40 FEAB O=C(c1n[nH]c2ccccc12)N1CCN(CCCOCC(F)(F)F)CC1 60063201 CRIBAVNDJQBBGP-UHFFFAOYSA-N 370.375 2.290 0 40 FEAB CN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C1CCCCC1 3340571 PWNYTQUJKIFYIP-FQEVSTJZSA-N 371.437 2.007 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 29250022 BRSLNZOGGNANSE-MRXNPFEDSA-N 366.483 2.301 0 40 FEAB COC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O 2571224 WZOJAVFXPYXQQA-UHFFFAOYSA-N 373.205 2.402 0 40 FEAB Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 48302394 ZEZVZBACYWXKNV-SFHVURJKSA-N 361.449 2.486 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(Cl)c1 29863241 IFILFXXVSJWKNJ-LBPRGKRZSA-N 368.865 2.081 0 40 FEAB CCOC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10112263 KNOSQANSEOOFOA-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460411 RVEDBEVQJZTJMS-KSSFIOAISA-N 374.462 2.399 0 40 FEAB CC(=O)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1 12917255 JIJXPDPQYZSFFL-UHFFFAOYSA-N 358.375 2.093 0 40 FEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OC)c(OC)c1 13471451 MTNHKYDMODWZOI-JOYOIKCWSA-N 367.448 2.480 0 40 FEAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3)nc2n1 6057252 DCRQANWMUMSABM-LLVKDONJSA-N 357.345 2.064 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 5061366 IZVYUWRVZTWYJW-SFHVURJKSA-N 366.417 2.153 0 40 FEAB C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-n2cncn2)cc1 5246000 IKWBLLGPXHBZAF-ZDUSSCGKSA-N 374.404 2.005 0 40 FEAB CCS(=O)(=O)c1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 9305852 GZAHMLFEOCOZIY-UHFFFAOYSA-N 369.468 2.473 0 40 FEAB Cn1ccnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6369577 NXDJNRAWJJSIBZ-UHFFFAOYSA-N 350.469 2.190 0 40 FEAB CCCc1sc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1CC 14083515 CMXRZFLBJGAGQK-UHFFFAOYSA-N 363.527 2.299 0 40 FEAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)N1CCOCC1 14141650 YOHMGADYRPVTOB-RPTYSRGTSA-N 362.430 2.454 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1 14230602 OCWFYDBXIIWDOI-UHFFFAOYSA-N 370.434 2.309 0 40 FEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(F)c1 6818904 XRIWXKYBCDXUPC-UHFFFAOYSA-N 351.403 2.201 0 40 FEAB Cc1nc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2s1 15240095 CPBQZQKQMNZINH-UHFFFAOYSA-N 351.391 2.348 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 15329533 ODJMUTHQMFOXDY-JTQLQIEISA-N 374.871 2.027 0 40 FEAB COc1ccc(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 23235166 DZMIXBQOHABRGT-UHFFFAOYSA-N 360.414 2.071 0 40 FEAB C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 7909330 SELGHVUAVWLJAC-OAHLLOKOSA-N 365.433 2.421 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 9690087 KCTIOQVYKCTURD-GPAKFWEMSA-N 351.424 2.026 0 40 FEAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c1OC 8506841 MBVDMQVQRWWGMV-CRAIPNDOSA-N 366.373 2.305 0 40 FEAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 69737560 MKVBPRXNVFUSBF-RTBURBONSA-N 370.474 2.177 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 9846116 ASQHQLKDDYUORN-HNNXBMFYSA-N 368.474 2.435 0 40 FEAB CCCC(=O)N1CCC[C@@H](C(=O)NC2CCN(CCOC(C)C)CC2)C1 75092041 FHHBVEPYFITXKU-QGZVFWFLSA-N 367.534 2.031 0 40 FEAB COC(=O)[C@@H](C(C)C)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 75092800 DVZCDQSNHXFJEK-OAHLLOKOSA-N 356.825 2.435 0 40 FEAB Cn1cc([C@H](O)CNC(=O)c2cc(Br)ccc2Cl)cn1 76088065 CASJDSHFSHBTAD-GFCCVEGCSA-N 358.623 2.299 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccccc2)cc1 28209454 ASRYRZFSBUVQOA-INIZCTEOSA-N 358.419 2.313 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@H]1C2 306124905 CBYLNNKMCSGWQL-CVEARBPZSA-N 374.448 2.230 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408587580 FCALPQQWWULITB-KBPBESRZSA-N 356.488 2.445 0 40 FEAB COc1cccc(-c2cc(C(F)(F)F)n3nc(CC(=O)O)nc3n2)c1 35655512 XUEZJTVYRVAYRO-UHFFFAOYSA-N 352.272 2.446 0 40 FEAB O=C(Nc1cnc(CC2CC2)nc1)N1CCC[C@H](N2CCCC2=O)CC1 518496550 PDTIMWGOPBOLHJ-INIZCTEOSA-N 357.458 2.438 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 33631367 JWCDTXNWQHTUPM-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB Cc1ccnc(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)n1 35314683 HZKMYNNLGDJKRJ-HNNXBMFYSA-N 354.410 2.047 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 33585443 OJJVXOQKRGGSGH-OPOADAIRSA-N 369.465 2.172 0 40 FEAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 32797557 QOGSVLXLVPSZFZ-UHFFFAOYSA-N 366.361 2.003 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058558 XDSNOFOTBQUVAA-YQQAZPJKSA-N 365.838 2.309 0 40 FEAB COc1ccccc1O[C@@H]1CCCN(c2nc(O)c3cnn(C)c3n2)C1 562871961 VJIVMANLOPJQHW-GFCCVEGCSA-N 355.398 2.125 0 40 FEAB Cn1c(CN2CCC(n3cc(C(=O)O)nn3)CC2)nc2cc(Cl)ccc21 570177718 ANHMRXMWDUYIME-UHFFFAOYSA-N 374.832 2.354 0 40 FEAB CCOc1ccccc1NC(=O)c1sc(NS(C)(=O)=O)nc1C 225878066 FZLPYODPUUBUDB-UHFFFAOYSA-N 355.441 2.474 0 40 FEAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223521193 HUDZCUFCXRUDTB-LLVKDONJSA-N 368.484 2.481 0 40 FEAB O=C(NCC1CCN(c2ncccn2)CC1)c1ccc2nsnc2c1 43977170 RACFBJKLRJIGAJ-UHFFFAOYSA-N 354.439 2.128 0 40 FEAB O=C(N1CCOCC1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 96255305 AOPQLIMGVRXFHW-UHFFFAOYSA-N 356.401 2.136 0 40 FEAB O=C(c1cccs1)N1CCOC[C@@]2(C[C@@H](CN3CCCC3)CO2)C1 96052038 YMPUZYUPNBJMOE-MAUKXSAKSA-N 350.484 2.092 0 40 FEAB O=C(N[C@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1ccc[nH]1 96079885 KDXJLHJGYOSELZ-KRWDZBQOSA-N 355.438 2.095 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106834 CCIYUFLRJWZNGT-GOSISDBHSA-N 353.422 2.457 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)no1 96243521 HZGYQHQYLXFSLP-UHFFFAOYSA-N 366.425 2.158 0 40 FEAB Cc1cc(CN2CC3(C[C@H](COCc4cccnc4)CCN3C)C2)no1 248152513 UQMUOASQZAIKDV-QGZVFWFLSA-N 356.470 2.491 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)c(C)n1 257331272 XSCGQDLQZXXIAD-LBPRGKRZSA-N 353.430 2.085 0 40 FEAB COc1cc(C(=O)NCCO)cc2c1O[C@](C)(Cc1ccccc1F)C2 257317814 VLGNQYRMMQUFOD-HXUWFJFHSA-N 359.397 2.493 0 40 FEAB Cc1ccc2nc(C(=O)N3CCC[C@H](Cc4nccnc4N)C3)cn2c1 257294097 QSKJLIUQUBFWPI-CQSZACIVSA-N 350.426 2.110 0 40 FEAB CC[C@H]1OC2(CCN(C(=O)c3ncoc3-c3ccccc3)CC2)NC1=O 1615592736 USKAIGVNMGJVHW-CQSZACIVSA-N 355.394 2.199 0 40 FEAB CCN1C(=O)CO[C@H](c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)[C@H]1c1nccn1C 624650775 LJSVOCOYUXIONS-QPHFJENPSA-N 371.441 2.368 0 40 FEAB COC[C@]1(C)CN(c2nnc(-c3cn(C)c4ccccc34)n2C)CCO1 624803180 RJJCCPVQSBGSKJ-IBGZPJMESA-N 355.442 2.216 0 40 FEAB Cc1noc(COC2CN(Cc3ccccc3N3CCO[C@H](C)C3)C2)n1 643832201 WHVKQASZHBVTLE-CQSZACIVSA-N 358.442 2.004 0 40 FEAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCCC1)C2 585104344 HIDCVSPQNUOOPJ-LJQANCHMSA-N 358.482 2.428 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)[nH]2)CC1 685942766 VMJPKDWPLOUVMX-HNNXBMFYSA-N 356.474 2.176 0 40 FEAB NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)O)cc2F)CC1 681364267 GJZNHSMXNUQXKU-UHFFFAOYSA-N 370.380 2.183 0 40 FEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCOC1 40089197 XJTOBXQRNMRKTA-IUODEOHRSA-N 370.902 2.344 0 40 FEAB COc1cc(CN(C)C)ccc1NC(=O)c1cc(N2CCOCC2)ccn1 633371467 AAVGGWRLCMMKOP-UHFFFAOYSA-N 370.453 2.241 0 40 FEAB COc1cccc([C@H](NC(=O)c2cccnc2)c2nccn2C)c1OC 12221713 QINFFURQGYADFM-INIZCTEOSA-N 352.394 2.352 0 40 FEAB CC(C)NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232933 YBYONQOPNWEOJN-CYBMUJFWSA-N 369.450 2.144 0 40 FEAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cc1 12328980 XLHJQDIGTRPQKF-UHFFFAOYSA-N 367.409 2.399 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 19018345 KSBHSESOJSXORE-SJORKVTESA-N 368.481 2.444 0 40 FEAB Cc1ccc([C@@H](CNC(=O)c2cnc3scc(C)n3c2=O)N(C)C)cc1 19136543 SBNHBTLIFSGWNT-MRXNPFEDSA-N 370.478 2.406 0 40 FEAB O=C(CN1C(=O)CSC1=O)N1CCC(c2cc3ncccc3cn2)CC1 19347394 CRSPBSAGTUIMRB-UHFFFAOYSA-N 370.434 2.031 0 40 FEAB C[C@H](CC(=O)N1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)n1ccnc1 19455275 UFXHMFGXZVQPKL-QRWLVFNGSA-N 368.437 2.018 0 40 FEAB Cc1nnsc1C(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19563673 NTBOSBNMYIDPIM-UHFFFAOYSA-N 372.450 2.080 0 40 FEAB COCC(=O)NCCn1nc(-c2cccnc2)cc1-c1cccc(OC)c1 19593022 LRTSDBYPRGSRRM-UHFFFAOYSA-N 366.421 2.383 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 19821131 TXPNGCSJWXTNHR-JTQLQIEISA-N 355.781 2.188 0 40 FEAB COC(=O)c1cc2c(=O)n(-c3cc(OC)cc(OC)c3)ccc2nc1C 19821642 WWIFFXCGMJCTBF-UHFFFAOYSA-N 354.362 2.498 0 40 FEAB Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 685052116 VTTIBEQVTIYNMR-LAUBAEHRSA-N 364.449 2.174 0 40 FEAB Cc1cc(C)nc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888842858 RTADKGHEMCDGJZ-UHFFFAOYSA-N 354.458 2.104 0 40 FEAB O=C(c1cnccn1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843093 SUEHBEIDBLKZLA-VXGBXAGGSA-N 363.343 2.099 0 40 FEAB Cc1nc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)nc(O)c1F 1888908430 PDBWFQCMJOOYDD-STQMWFEESA-N 366.400 2.146 0 40 FEAB Cc1ncnc(N2C[C@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]3C2)c1C 1889179489 PIVMUDCLWLBFNK-OALUTQOASA-N 365.481 2.414 0 40 FEAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 23191355 BMHVSSFOEQGUKW-UONOGXRCSA-N 353.348 2.442 0 40 FEAB Cc1ccc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 24422364 BUFUWGMHEXTWFU-UHFFFAOYSA-N 370.336 2.377 0 40 FEAB COC(=O)CNC(=O)c1nc(SCc2ccccc2)ncc1Cl 41097731 ZXCIEZFUROVMRJ-UHFFFAOYSA-N 351.815 2.325 0 40 FEAB Cc1cccc(CN2CCC[C@@]23CCN(C(=O)CCc2cncnc2)C3)n1 1565548759 JDLAIAKGOXEVQL-NRFANRHFSA-N 365.481 2.380 0 40 FEAB CCCC[C@@H](CC)CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O 2601718 GTHHDQWYIBOBAK-GFCCVEGCSA-N 351.472 2.474 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)c2ccccc2OC)s1 4078378 UGGSRBWVOFVWJW-UHFFFAOYSA-N 353.425 2.454 0 40 FEAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NC[C@H]1CCCO1 12230582 YCULXYGZUFYLBP-QGZVFWFLSA-N 374.412 2.170 0 40 FEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1C(N)=O 618256150 DMDIMFCXACMRPI-KBPBESRZSA-N 362.451 2.200 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 40113328 JXJURHZILYMWCU-KRWDZBQOSA-N 365.433 2.106 0 40 FEAB CCCn1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O 20757891 LASZFLTWLZDASN-QGZVFWFLSA-N 368.437 2.101 0 40 FEAB biogenic CN(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 32771933 GBEZXFVOTKOSLG-INIZCTEOSA-N 352.390 2.175 0 40 FEAB O=C(NCc1ccco1)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 2952692 KJVIBWFTMZNKQU-UHFFFAOYSA-N 353.378 2.328 0 40 FEAB COc1cccc([C@@H]2NC(=O)N3[C@H](c4cccc(OC)c4)NC(=O)N23)c1 1716079 DPDPGHYGYVIKDZ-HZPDHXFCSA-N 354.366 2.367 0 40 FEAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCOCC1 23680769 XIIZQMZWIAZAEU-UHFFFAOYSA-N 355.316 2.372 0 40 FEAB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C 47651558 XJFABHVFXZICOI-SSDOTTSWSA-N 358.769 2.114 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(F)cc2)cc1C 6881675 RELNSNYFMMITIY-UHFFFAOYSA-N 350.415 2.037 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NC(C(C)C)C(C)C)Oc2ccccc21 10009125 QQPYLPLQXOBUBW-MRXNPFEDSA-N 368.499 2.401 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@@H]3[C@H]6[C@]51C)C2 104289799 KFIOKJOORAWZOI-KOOHBUJXSA-N 353.466 2.436 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 26100579 PXZKZGCTFJCFNR-AATRIKPKSA-N 360.838 2.033 0 40 FEAB CN(C)[C@H](CNC(=O)NCc1ccc(C(N)=O)cc1)c1ccc(F)cc1 56936569 JBUCYFJUMOFBTP-QGZVFWFLSA-N 358.417 2.027 0 40 FEAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 57486013 KGLRHFOAUSYBDB-UHFFFAOYSA-N 363.483 2.330 0 40 FEAB O=c1ccc(-c2ccccc2)nn1CN1CCN(Cc2ccncc2)CC1 57085339 JDNUNTPDNMLLNA-UHFFFAOYSA-N 361.449 2.081 0 40 FEAB CCOC(=O)Cc1cc(O)n2nc(COC)c(-c3ccc(OC)cc3)c2n1 9261089 BQBVLCUSMFWMDE-UHFFFAOYSA-N 371.393 2.363 0 40 FEAB CCOc1ccccc1OCC(=O)N1CCC(c2nnc3n2CCC3)CC1 58266762 BAJUVUJBVHRULF-UHFFFAOYSA-N 370.453 2.408 0 40 FEAB O=C(O)c1cc2c(c(S(=O)(=O)N3CCOc4ccccc43)c1)CCC2 58365541 IRGLKZHJWDJNJK-UHFFFAOYSA-N 359.403 2.461 0 40 FEAB COc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102087911 GJIWHVVCMDEGIT-CGSCVGBMSA-N 366.417 2.075 0 40 FEAB Cc1nc(C)c(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)o1 177515042 MJDLKMKGOOIFBK-AWEZNQCLSA-N 366.414 2.260 0 40 FEAB O=C(CNc1cccc(F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11121766 HZBRKKZTIBAEEB-KRWDZBQOSA-N 362.426 2.458 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCn1nccc1C 100141275 QSLMKTBGBRFLMM-HOCLYGCPSA-N 350.426 2.221 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 172913542 SDCIRNNKYJZVOX-UXLLHSPISA-N 364.401 2.005 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nccs2)c(C)c1 12909665 JKPQZELTVZMFLM-UHFFFAOYSA-N 353.469 2.375 0 40 FEAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 3636504 MTDHAZRDRLQDPB-ZUZCIYMTSA-N 374.418 2.434 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 71283576 BTVHEFNCACUJNV-DYESRHJHSA-N 367.449 2.064 0 40 FEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@@H]1COc2ccccc2O1 9114447 YRVDVHPYPISSBO-QGZVFWFLSA-N 366.417 2.312 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 14098624 LTBRAFNENZDLIN-HZPDHXFCSA-N 354.516 2.470 0 40 FEAB Cc1nc2cc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)ccc2o1 14187974 MAGUJJLRQYLCAZ-UHFFFAOYSA-N 353.334 2.233 0 40 FEAB CC(C)[C@H]1C(=O)NCCN1Cc1csc(-c2ccc3c(c2)OCO3)n1 66498364 XKIRCVHRAZFNBG-INIZCTEOSA-N 359.451 2.495 0 40 FEAB CCOC(=O)c1cnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1N 6721571 YLPYHNBTCNAQEX-UHFFFAOYSA-N 356.382 2.481 0 40 FEAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1C 5778686 PUMFEMFUSARINN-AWEZNQCLSA-N 372.446 2.325 0 40 FEAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC[C@H]1CCCO1 6857295 BHRHBTWCIMVZSR-GFCCVEGCSA-N 363.483 2.455 0 40 FEAB COc1ccc(OC)c(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)c1 9484836 MUMLLMKOTQBOHM-UHFFFAOYSA-N 362.777 2.074 0 40 FEAB C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20245487 ZILWYJAWUFLDEI-CQSZACIVSA-N 361.467 2.420 0 40 FEAB Cc1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)s1 8133800 NXLLAUHFNAAVIM-SFHVURJKSA-N 356.403 2.469 0 40 FEAB CCOc1ccc(OCCNC(=O)c2ccc(-n3cncn3)cc2)cc1 8402793 BTBJWRDQSOSMJS-UHFFFAOYSA-N 352.394 2.475 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)NC[C@H]3CCCO3)n2n1 8704154 ADIMAVYYPXWFSS-DGCLKSJQSA-N 371.466 2.362 0 40 FEAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)cs1 306142101 WPMOWNKTWZIFRD-JGGQBBKZSA-N 363.508 2.390 0 40 FEAB CCCCO[C@H]1C[C@H](N(C)C(=O)CCNC(=O)c2cnccn2)C1(C)C 72310266 HJIUDXMMNMLMNN-HOTGVXAUSA-N 362.474 2.039 0 40 FEAB Cc1nn(Cn2ccc(C(=O)Nc3ccon3)n2)c(C)c1Br 27973689 NHDCNPWKKVFCKM-UHFFFAOYSA-N 365.191 2.205 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C 408626712 WASDZPHCYPUVLE-UHFFFAOYSA-N 362.407 2.161 0 40 FEAB Nn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O 71327502 HZCGRVPAYFIHAL-UHFFFAOYSA-N 362.361 2.119 0 40 FEAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496984 FLGIPDYZGQMYGX-AAEUAGOBSA-N 356.444 2.053 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1cccc(F)c1 72241677 UVWQPNVQHCLISJ-ZWKOTPCHSA-N 360.360 2.180 0 40 FEAB CC(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)Oc2ccccc21 48324899 QGNHXNFHBWWEFS-BLVKFPJESA-N 368.389 2.407 0 40 FEAB COc1ccc([C@H](CC(=O)N2CCCCCC2)NS(C)(=O)=O)cc1 225956822 OXKNMBXZHHFVDZ-INIZCTEOSA-N 354.472 2.078 0 40 FEAB COc1cccc(C[C@@H](C(=O)O)N(c2ccc(F)cc2)S(C)(=O)=O)c1 225162774 PRKQIGCJRPTEAZ-INIZCTEOSA-N 367.398 2.296 0 40 FEAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccccc3)n2)c1 41153693 VTSAQAJUXFAGID-UHFFFAOYSA-N 359.407 2.365 0 40 FEAB O=C(CCc1ccc2c(c1)OCCO2)NC[C@H]1COc2ccccc2O1 225278693 ALVCSWLQYUYMDO-HNNXBMFYSA-N 355.390 2.347 0 40 FEAB CCCCNC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96238029 BUDOLCFKVOKNCM-IBGZPJMESA-N 362.449 2.058 0 40 FEAB O=C(c1ccoc1)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 96217651 JUUHKTSGVJGRJO-AWEZNQCLSA-N 351.366 2.422 0 40 FEAB CCCc1occc1C(=O)N1C[C@H](OC)C[C@H]1c1nnc2cnccn12 583615403 PMWBUJWLVWUBBT-OCCSQVGLSA-N 355.398 2.272 0 40 FEAB COCCC(=O)N1CC[C@@]2(COCc3c(C)nc(-c4ccccc4)nc32)C1 96244699 WFJAGLLVSYOUQA-NRFANRHFSA-N 367.449 2.489 0 40 FEAB Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCC3(CCN3)CC2)s1 333343620 YQVNYNXNIHZFFI-UHFFFAOYSA-N 361.446 3.012 0 40 FEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCNC4)nc32)cc1 257224921 FDYSFGDKULOCRG-OAHLLOKOSA-N 352.438 2.350 0 40 FEAB CN(Cc1ccccn1)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 252494672 OBNLHBWTVSWEIN-UHFFFAOYSA-N 359.451 2.138 0 40 FEAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC(Oc2ncc(F)cn2)CC1 1259310584 ACDICPNSZMNWHX-UHFFFAOYSA-N 373.356 2.126 0 40 FEAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1F 257241156 HWUYAJIAOQJJQX-LJQANCHMSA-N 358.417 2.028 0 40 FEAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ncnc2ccccc12 257331907 XUTZGUFOAUZSSO-PXNSSMCTSA-N 354.454 2.484 0 40 FEAB NC(=O)CNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257327559 XBVGGPHWMIFNFY-UHFFFAOYSA-N 370.424 2.434 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2Cl)C1 1119524335 KWBDHKXEBYGENL-WBMJQRKESA-N 370.840 2.305 0 40 FEAB O=C(Cc1ccc(-n2ccnc2)cc1)N1CCC(N2CCCCC2=O)CC1 631848249 QXQGRWBHJBFSDM-UHFFFAOYSA-N 366.465 2.418 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@H]1c1cnn[nH]1 622170029 IUUDABWXPLWTKP-YVEFUNNKSA-N 356.357 2.458 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 1641515400 AIUARQCVGMODPU-HNNXBMFYSA-N 367.380 2.486 0 40 FEAB COC[C@]1(C(=O)O)CCCN1C(=O)CCc1ccc(OC)c(Cl)c1 643849074 SELDMKUPXWGJTL-KRWDZBQOSA-N 355.818 2.373 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 643994626 KUMUVFMUCCDYAB-HXUWFJFHSA-N 354.406 2.321 0 40 FEAB O=C(Nc1cccc(OCCn2cncn2)c1)c1cc2c(s1)CCNC2 662689354 UYFFZORJUFAVSH-UHFFFAOYSA-N 369.450 2.317 0 40 FEAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 667728093 FUPCFBNLRHRIFL-IPMKNSEASA-N 350.418 2.498 0 40 FEAB CN(Cc1nccn1C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 684292852 QFPOZSXZNPTTEM-UHFFFAOYSA-N 373.423 2.367 0 40 FEAB CN1c2ccc(NC(=O)NCc3cccs3)cc2N(C)S1(=O)=O 390828181 AFLUBQYUYQOJDC-UHFFFAOYSA-N 352.441 2.201 0 40 FEAB COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCO 585262592 YLBNCVNNEIKXLS-KRWDZBQOSA-N 367.486 2.208 0 40 FEAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(C)nc(O)n2)C1 585277377 SZNXCNQNFSJKPC-LJQANCHMSA-N 357.410 2.109 0 40 FEAB COC(=O)[C@@H](C)CN(Cc1ccccc1)S(=O)(=O)c1c(C)noc1C 58282250 CHDGPVCGBNYNCV-LBPRGKRZSA-N 366.439 2.291 0 40 FEAB CCCCCOC(=O)Nc1nc(=O)n([C]2O[C@H](C)C(O)=C2O)cc1F 1560410124 SMHVJEDBKPQISZ-MRVPVSSYSA-N 356.330 2.205 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2ccccc2S(=O)(=O)CC)n1 5240929 AKTMBORBCNQBIL-UHFFFAOYSA-N 368.436 2.366 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)cc1 12255056 IRFHQXCEJSCAIX-OAHLLOKOSA-N 366.421 2.311 0 40 FEAB CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(F)cc1 13425540 XPTOUFMLBJNUNB-UHFFFAOYSA-N 351.403 2.038 0 40 FEAB COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1 19240590 UURDELLDFCUTPC-JOCBIADPSA-N 355.438 2.464 0 40 FEAB CN1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)ncc2C1 19590356 WOZWSYHOAWWLSB-SFHVURJKSA-N 372.494 2.380 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 169678506 JDDJRVAFESPPHC-CPPNMTBBSA-N 364.445 2.076 0 40 FEAB COc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F 225792065 CPMRXJKEXYSUQS-UHFFFAOYSA-N 370.428 2.466 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@H](c2nc(O)n[nH]2)C1 560739433 BSOXPGMOMNVTLP-VIFPVBQESA-N 354.769 2.088 0 40 FEAB C[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 589053622 DOEHRFPFUGMHNU-XLAORIBOSA-N 357.498 2.455 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NCc1cccs1 4581660 ZBXFSSWPXGAIHE-UHFFFAOYSA-N 362.432 2.266 0 40 FEAB O=C([C@@H](Sc1nnc2ccccn12)c1ccccc1)N1CCOCC1 6843080 URAUMDBECWMZDN-INIZCTEOSA-N 354.435 2.422 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 16726863 YDXDTIPKNLGMBD-UHFFFAOYSA-N 352.843 2.221 0 40 FEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCCn2cncn2)C1 2037908846 ABKXXGOXBDJSKA-IBGZPJMESA-N 358.442 2.145 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978176 FWMUMYVROYUUAO-ZBFHGGJFSA-N 371.462 2.346 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4cnccc34)C[C@H]2C)cn1 2087000758 PYAGNXGIKJUTHM-CQSZACIVSA-N 350.426 2.139 0 40 FEAB CCCCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249789 SNQGZTJBZDHVJX-UHFFFAOYSA-N 357.439 2.491 0 40 FEAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3F)CC2=O)cc1 9037041 VYLQGZIVFBSDLO-AWEZNQCLSA-N 362.426 2.466 0 40 FEAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ncccn1 11612539 QXRGZHRJNMBDHK-AWEZNQCLSA-N 360.439 2.049 0 40 FEAB Cc1ncnc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)c1F 1775975469 HOEDOCWNPQXGJX-UHFFFAOYSA-N 353.401 2.228 0 40 FEAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cc(-c2cccs2)n[nH]1 44059481 LOWCGZMCLMXIAQ-UHFFFAOYSA-N 351.391 2.305 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19569694 WIFGNJKDIJMBIP-GOSISDBHSA-N 366.465 2.427 0 40 FEAB COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(C(C)C)cc3)nn2c1=O 101255848 DULGYUDVBXMZBQ-UHFFFAOYSA-N 369.425 2.177 0 40 FEAB Cn1c(SCCCN2C(=O)NC(C)(C)C2=O)nnc1-c1cccs1 40089696 SYUJTSHQFQYOHK-UHFFFAOYSA-N 365.484 2.356 0 40 FEAB COc1cccc2c1ccn2CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 40313093 LISDCLCHWXFYID-INIZCTEOSA-N 352.390 2.462 0 40 FEAB biogenic CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 20820685 QUZCDQSENZJATK-QGZVFWFLSA-N 359.470 2.290 0 40 FEAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/C(=O)N1CCOCC1 32966537 AECODWBYKNORCH-VOTSOKGWSA-N 356.344 2.079 0 40 FEAB CC(C)[C@H](CCO)NC(=O)CCNC(=O)c1ccc(Br)cc1 79096695 JSIDMEIQZQLSEV-AWEZNQCLSA-N 371.275 2.092 0 40 FEAB COCCn1cc(CC(=O)Nc2nnc(COC)s2)c2ccccc21 79495184 YKJUIQNZYWTZEN-UHFFFAOYSA-N 360.439 2.467 0 40 FEAB CCS(=O)(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1 4304095 GQNRSZJLDYZADP-UHFFFAOYSA-N 361.471 2.000 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)OCc2coc(-c3ccccc3)n2)CC1 24119026 PBXWZKNFVBMAMY-UHFFFAOYSA-N 364.423 2.056 0 40 FEAB CN(C)S(=O)(=O)c1csc(C(=O)OCc2ccc3c(c2)OCO3)c1 6680230 VXFLOGJCGVGGQV-UHFFFAOYSA-N 369.420 2.084 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2Cl)CC1 12534491 JPKBXKPIWKHZRC-LBPRGKRZSA-N 361.881 2.056 0 40 FEAB O=C(Nc1ccccc1-n1cncn1)[C@H]1CC(=O)N(c2ccccc2F)C1 25002270 PJBQSGVNUZPMNJ-ZDUSSCGKSA-N 365.368 2.398 0 40 FEAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(-n2cnnn2)c1 26065319 WNGYLLHQBPTQDY-UHFFFAOYSA-N 352.379 2.309 0 40 FEAB CSc1nnc(CCCNC(=O)[C@H](C)n2cncn2)n1C1CCCC1 57209894 PDNZCDFEWBYWGP-LBPRGKRZSA-N 363.491 2.017 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57275824 JHNBLUOZCIEYTK-KRWDZBQOSA-N 369.440 2.127 0 40 FEAB Cc1ccc(-c2nnc3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n23)cc1 9189070 LKJZQUJLESMPQG-CXUHLZMHSA-N 363.398 2.403 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(CCc2ccncc2)CC1 35515158 CBZDGESFZSUQSV-RQZCQDPDSA-N 357.479 2.242 0 40 FEAB CN(c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1)S(C)(=O)=O 22230902 ZQTOTHPCULOVAP-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 55941779 HNXIIWABMGZATH-UHFFFAOYSA-N 366.870 2.497 0 40 FEAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 113941358 ZOUAWHFBGWYCMX-SNVBAGLBSA-N 362.879 2.418 0 40 FEAB O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1ccc(C(=O)O)cc1 2149760 PVMDAMXGKHIMSQ-UMVBOHGHSA-N 363.439 2.049 0 40 FEAB O[C@@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 58381418 USSSGWUGYSCAJT-SFHVURJKSA-N 358.413 2.406 0 40 FEAB C[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 22986900 KCFZTLCQMVXKDI-NSHDSACASA-N 364.243 2.418 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCc2cccc(OC)c2)c1 66920620 DVETXADOBRLMEX-UHFFFAOYSA-N 363.435 2.393 0 40 FEAB Cc1cccc(Cn2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)n2)c1 28236705 UCYVUVUPQFGCMQ-UHFFFAOYSA-N 373.420 2.397 0 40 FEAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCC(F)(F)F 3325071 CSABYBNZFWWOKG-UHFFFAOYSA-N 361.301 2.236 0 40 FEAB CC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3395700 OGZWHOBXUJBCLI-UHFFFAOYSA-N 359.831 2.260 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1)C(=O)C2 104815101 LKOYPGUMWURARQ-DYZYQPBXSA-N 367.423 2.228 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 12811540 FIZMZHFAKWLQRA-AWEZNQCLSA-N 363.435 2.448 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 23039754 AJHLTGUGDQMUDV-QEJZJMRPSA-N 370.405 2.126 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(O)cc1 71284439 LAXQPRNYAFUOKR-UHFFFAOYSA-N 372.400 2.002 0 40 FEAB COc1cc(NC(=O)C2CCN(c3ncccn3)CC2)cc(OC)c1OC 13548767 RLFVXFWJYSCTGQ-UHFFFAOYSA-N 372.425 2.358 0 40 FEAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O 64987518 MGCCJXUBWGTIGC-UHFFFAOYSA-N 364.405 2.326 0 40 FEAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NC1CC1 14084069 PHTVWYHAZBJWHY-UHFFFAOYSA-N 352.419 2.151 0 40 FEAB CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccc(Cl)cc1 5309057 JURYOYAYFLKXKL-UHFFFAOYSA-N 365.846 2.262 0 40 FEAB CNC(=O)c1cccc(NC(=O)CSc2nncn2Cc2ccco2)c1 9316060 MWLRRVXCOHXLJJ-UHFFFAOYSA-N 371.422 2.010 0 40 FEAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1 4777220 DCQIHXAOMGWDHM-LLVKDONJSA-N 352.460 2.194 0 40 FEAB COc1cc(/C=C/C(=O)NCCCC(=O)O)cc(Br)c1OC 62714909 NOELPQIVDDHSEJ-AATRIKPKSA-N 372.215 2.461 0 40 FEAB COc1ccc(OC)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 9482667 NHDZGSQBHNFEQY-UHFFFAOYSA-N 368.311 2.490 0 40 FEAB COc1ccccc1[C@@H]1N=C(NCc2ccco2)Nc2nc(C)cc(=O)n21 9426322 PDXKHIVULZTOQZ-QGZVFWFLSA-N 365.393 2.272 0 40 FEAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 407970685 CQBDNIMVVAQZJG-ZACQAIPSSA-N 366.483 2.044 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)C1 7472504 HIAZVPSYOHNIMW-AWEZNQCLSA-N 374.466 2.366 0 40 FEAB COc1ccccc1C(=O)COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 7806804 LREQXGQBHDOPPV-LBPRGKRZSA-N 367.357 2.106 0 40 FEAB COc1ccc(-c2nc3c4c(C)c(C)n(CCO)c4ncn3n2)cc1OC 9575733 XDDINMMSHHIDJL-UHFFFAOYSA-N 367.409 2.372 0 40 FEAB CC(C)NC(=O)CNC(=O)CCCOc1ccc(Br)cc1 8166553 DDCZOPHHVXUACE-UHFFFAOYSA-N 357.248 2.249 0 40 FEAB O=C(NC(=S)NCCCN1CCOCC1)c1cccc2ccccc12 19913699 ZQCQVRXNOKFAEA-UHFFFAOYSA-N 357.479 2.166 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12 18072460 IPIWLJBMTOVLRI-UHFFFAOYSA-N 354.385 2.481 0 40 FEAB CN(C(=O)COc1ccc(Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 8726095 FPMVAMBJQSSYGL-KRWDZBQOSA-N 374.462 2.455 0 40 FEAB CCOc1ccc(OCC)c(S(=O)(=O)NCCCn2ccnc2)c1 8715627 RHVMKFDMYXWEFO-UHFFFAOYSA-N 353.444 2.049 0 40 FEAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CN3C(=O)CNC3=O)c2)C1 84689670 BFAKFQLFDKGUGI-CZUORRHYSA-N 359.426 2.272 0 40 FEAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 75906140 BNEKRFAESMRGBI-SJKOYZFVSA-N 361.833 2.083 0 40 FEAB C[C@H]1CCCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 20493278 NTBZEHWGSWUQQR-NHYWBVRUSA-N 372.874 2.126 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408533827 QWCPIGXHIOZYHS-UHFFFAOYSA-N 374.890 2.420 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)n2ncnc2n1 35314631 AUPAKRSZEJFBSZ-MRXNPFEDSA-N 356.474 2.346 0 40 FEAB Cc1nn(C)c2nccc(NCC(=O)N[C@H]3CCOc4ccccc43)c12 516860441 QJOJVDDGNNXHCA-AWEZNQCLSA-N 351.410 2.329 0 40 FEAB O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2ccncc2)C1 306131422 KDXMYERBIVJOIR-NRFANRHFSA-N 359.433 2.248 0 40 FEAB O=c1ccc(OCc2nnc(S)o2)nn1Cc1ccc(Cl)cc1 524733483 MXPUSJBOUBNWNI-UHFFFAOYSA-N 350.787 2.196 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2cccc(Cl)c2)C1(CO)CO 218389558 UCSKFHALXUPKEV-JKSUJKDBSA-N 352.839 2.251 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 72390977 UKHDHWZZIFNPTR-ZIAGYGMSSA-N 370.428 2.045 0 40 FEAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 38908226 AKVMQBQYIXRFJE-UHFFFAOYSA-N 367.428 2.458 0 40 FEAB C[C@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 38464373 WTJYDBMHYPQFNJ-SBCFBCRNSA-N 368.470 2.222 0 40 FEAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1 225806199 USIGIKMPKDCESP-HNNXBMFYSA-N 366.421 2.199 0 40 FEAB CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1 225653848 QMNBBIHQEYLBQY-INIZCTEOSA-N 351.424 2.120 0 40 FEAB COCCCNC(=S)Nc1nc(Cl)cc(Sc2ncccn2)n1 225902744 YCNRENKWPSTSCZ-UHFFFAOYSA-N 370.891 2.394 0 40 FEAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cccc(C)c2)c1 223015441 KPANOCPJOYSVMQ-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C(=O)NCC3CCCCC3)C[C@H]1O2 96252983 VHDWZVVHRBJEGH-IXDOHACOSA-N 351.491 2.138 0 40 FEAB O=C(O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 230036282 DKIDUEFGXKKXNI-UTGUJQJDSA-N 354.399 2.316 0 40 FEAB biogenic Cc1ccc(CN2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)s1 96230488 QPEGPQPKAORAHH-IBGZPJMESA-N 356.495 2.375 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106842 TYGGFUBUALAOST-KRWDZBQOSA-N 353.422 2.457 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)C(C)(C)C 96518295 ZUOUVUPYBCFLFZ-QMMMGPOBSA-N 352.621 2.364 0 40 FEAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccoc1)C2 96050134 AKOUPXIHQDLUSE-HXUWFJFHSA-N 353.422 2.119 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)Cc3ccccc3OC)C2)c1F 244933344 CMSJYTZPGPCEQV-AWEZNQCLSA-N 359.401 2.409 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515398 JOUCWNPHJYAEHM-IIAWOOMASA-N 351.811 2.062 0 40 FEAB Cc1ccc2nc(O)cc(C(=O)N3CCC[C@@](O)(CN(C)C)CC3)c2c1 257273583 NHGSOVLSFZIKFZ-FQEVSTJZSA-N 357.454 2.168 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257338360 YXAICEKYNOCFAT-SFHVURJKSA-N 354.454 2.230 0 40 FEAB CCOc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2CC)cc1 257250122 JLCRMVBUJURKGO-MJGOQNOKSA-N 361.486 2.063 0 40 FEAB COC1CCN(Cc2cn(Cc3ccn(-c4ccccc4)n3)nn2)CC1 641003821 BPIYOZDGXGJZMM-UHFFFAOYSA-N 352.442 2.123 0 40 FEAB CC1(C)C(c2cc(NC(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)n[nH]2)C1(C)C 646533593 UFPRVZULCQWLTM-LQGCGHSZSA-N 360.502 3.030 0 40 FEAB Cn1cc(CC(=O)N2C[C@H]3CC[C@@]3(Nc3nc4ccccc4o3)C2)cn1 1615831918 HXEQHZRUILIGFI-AUUYWEPGSA-N 351.410 2.207 0 40 FEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](S(C)(=O)=O)CC1 669697212 QPBBDEJLYHTVRP-DOTOQJQBSA-N 364.511 2.253 0 40 FEAB CO[C@@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1Cc1ccc(C)cc1 585290818 GTVXSDCBEPESQD-ZAOFJCOUSA-N 372.509 2.289 0 40 FEAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc(N2CCCC2)cc1 585277614 JFSYHDJITTUWEM-HXUWFJFHSA-N 359.470 2.044 0 40 FEAB CO[C@@]1(CCC(=O)NCc2cccc(F)c2F)CCCN(C(C)=O)C1 585280857 QMNPCYSYKOJLTA-GOSISDBHSA-N 354.397 2.389 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 52782688 OBZRJYAJOWRHPZ-SNVBAGLBSA-N 374.871 2.027 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)Cc1cccs1 55107684 ZKOVEIWFBIXPNU-HNNXBMFYSA-N 370.434 2.090 0 40 FEAB Cc1sccc1CC(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 682475281 XSRZCVVLFBFOJM-UHFFFAOYSA-N 368.462 2.460 0 40 FEAB C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O 5369573 ZORQMBLUMWNJEQ-QQCJEOGWSA-N 368.451 2.056 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)NCc2cccc(F)c2)c1=O 12146747 XQKMGIXQTGMCBF-UHFFFAOYSA-N 358.398 2.010 0 40 FEAB COc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(Cn1nc(C)ccc1=O)C2 12366060 ZVIUSRGZALYVBV-HTZLVSCSSA-N 369.465 2.118 0 40 FEAB O=C(COc1cccnc1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669379 WIJXSGMIPBQAJF-UHFFFAOYSA-N 365.393 2.312 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 14228951 YDVQARBVTWFQHG-ZDUSSCGKSA-N 367.405 2.391 0 40 FEAB CN(CCOc1ccccc1F)C(=O)Cc1nn(C)c(=O)c2ccccc12 16112842 WWLDMIZWZWPTMA-UHFFFAOYSA-N 369.396 2.153 0 40 FEAB CC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1 16843964 UVHPDCUHZPKNNT-UHFFFAOYSA-N 360.483 2.375 0 40 FEAB Cc1cc(C)cc(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 18023633 CMEAJNMRGYPXGT-UHFFFAOYSA-N 359.426 2.214 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)c1ccccc1 220724280 IGHKQOORAQQBQA-AWEZNQCLSA-N 368.437 2.158 0 40 FEAB CCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCO2 11351562 UCSZCYAITCCMGZ-UHFFFAOYSA-N 361.423 2.036 0 40 FEAB O=C(COc1ccccc1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888866972 KVIMJHABVXAIPZ-IAGOWNOFSA-N 364.449 2.328 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1 14163824 FDXZUGDSBYONEP-UHFFFAOYSA-N 364.449 2.280 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cc1 36615257 OVVCSXOPHRQNIG-UHFFFAOYSA-N 358.261 2.312 0 40 FEAB CN(CC(=O)N1CC[C@@](O)(COc2ccc(F)cc2)C1)C1CCCC1 2037937575 IAEQDWQFDCIGMX-IBGZPJMESA-N 350.434 2.042 0 40 FEAB Cc1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)no1 2037984736 MCVMEJPARNECFS-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 8961787 OPJSPXDTGNOEOZ-UHFFFAOYSA-N 352.799 2.263 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)NC=N3)c1C 12414930 FYBLCRSOQXZKQU-UHFFFAOYSA-N 365.436 2.056 0 40 FEAB O=C(c1ccc(F)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775969316 KTCVBGIQBFZMPJ-UHFFFAOYSA-N 355.413 2.424 0 40 FEAB COc1ccc(C)cc1NC(=O)Cn1c(N2CCCC2)nc(C)cc1=O 49410888 GLXWIKFNLZEZIR-UHFFFAOYSA-N 356.426 2.108 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCC[C@H](CCO)c2ccsc2)cn1C 575622175 XDXALDCOHCWIQL-CYBMUJFWSA-N 371.528 2.440 0 40 FEAB O=C(CONS(=O)(=O)c1ccc(F)cc1)OCc1ccc(Cl)cc1 40047613 MYHQDFIWAIKNIG-UHFFFAOYSA-N 373.789 2.432 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40118616 HYERLUCENHYURI-CYBMUJFWSA-N 366.414 2.063 0 40 FEAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cn1 31483762 VZGOVDGSEHTSEW-UHFFFAOYSA-N 353.400 2.012 0 40 FEAB C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)C(=O)NCC(F)(F)F 20978086 ZCMKTNNXDWICDJ-SECBINFHSA-N 373.356 2.358 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)s2)cs1 32772464 YDGTZOAZKUNZJS-JTQLQIEISA-N 356.494 2.231 0 40 FEAB CC[C@@H](Sc1nc2ccccc2c2nc(C)nn12)C(=O)N1CCOCC1 2969143 CHTUYORVHHTNJG-OAHLLOKOSA-N 371.466 2.315 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)CCO3)C2=O 23102336 SDBICOMOXXPROJ-CWTRNNRKSA-N 357.410 2.061 0 40 FEAB Cc1cc(C)c(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c(C)c1 23350562 BIYYVENMXZVICR-UHFFFAOYSA-N 373.482 2.297 0 40 FEAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 992169 IBPGISKDVKGJNT-UHFFFAOYSA-N 372.450 2.075 0 40 FEAB O=C(c1cccnc1Cl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786776 YNWLOZHYHCHDEV-UHFFFAOYSA-N 373.840 2.464 0 40 FEAB O=c1c(Cl)c(N2CCC(O)CC2)cnn1-c1ccc(C(F)(F)F)cn1 12533372 LWHWAVGDWDHMDF-UHFFFAOYSA-N 374.750 2.261 0 40 FEAB COc1ccc(Br)c(C(=O)NCCCN2CCCC2=O)c1 3277385 HTFPKMQKCPRBEF-UHFFFAOYSA-N 355.232 2.200 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCO[C@H]2CCCC[C@H]21 55423107 IFCWOQDPLDSKOM-MSOLQXFVSA-N 353.422 2.080 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)C1 3296167 RLBVHGHBWXSRPU-GASCZTMLSA-N 358.438 2.475 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 12619966 OZJIWOOCXXPVEG-JOTOCRJQSA-N 355.438 2.075 0 40 FEAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1 9926893 SRDFDFWRNKJKFX-HUUCEWRRSA-N 364.467 2.302 0 40 FEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(Cl)c3)CC2)no1 12744976 FROMVTFEKQYFIZ-UHFFFAOYSA-N 362.817 2.033 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1COc2ccccc2O1 12774405 NRBUEXFIYDRSKC-SFHVURJKSA-N 352.390 2.270 0 40 FEAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)Cc2nonc2C)c1 100112429 KCEOYCYUDAUBKF-DEYYWGMASA-N 357.410 2.388 0 40 FEAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1ccccc1 56068348 LNKCKWZWOCRUDT-ZDUSSCGKSA-N 352.481 2.164 0 40 FEAB CC(C)[C@H](N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 12865913 QAPCXHUSJBARQH-UAGQMJEPSA-N 352.500 2.007 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cn2cncn2)cc1 10816435 LVCYVMPAAIZZSX-UHFFFAOYSA-N 363.421 2.415 0 40 FEAB CN(CC(=O)NC1CCCCCCC1)C1=NS(=O)(=O)c2ccccc21 12973948 XKLIZIISDSXMKG-UHFFFAOYSA-N 363.483 2.296 0 40 FEAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 64987511 HAZGYEOQCRBXSE-UHFFFAOYSA-N 368.368 2.157 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(F)c1 20902104 QWQVJTAHGCZPJG-UHFFFAOYSA-N 370.431 2.104 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1C 5392629 ILFOIGMJZLKYPG-UHFFFAOYSA-N 350.484 2.163 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5517828 CQOFURNXGBDPKW-AWEZNQCLSA-N 370.236 2.480 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2ccc(F)cc2)cc1OC 5633063 RPMVCKBKOHQYIV-UHFFFAOYSA-N 361.369 2.245 0 40 FEAB CC[C@H](C)n1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 6852462 JSJYYRXVJNQYLL-WDEREUQCSA-N 362.455 2.304 0 40 FEAB COc1ccc(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 67206163 JQCKJWZORPLUNX-UHFFFAOYSA-N 368.433 2.424 0 40 FEAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 7468249 OENSVLZSURCQRP-UHFFFAOYSA-N 359.426 2.169 0 40 FEAB O=C1N/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccccc1 409010689 DBERPYRDTFTUIL-VBKFSLOCSA-N 353.378 2.209 0 40 FEAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ncccn2)CC1 7955643 XWQOLMKBIJCEEZ-CQSZACIVSA-N 358.829 2.030 0 40 FEAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3ccccc23)CC1 8072244 FFGKPGBDLVJVTI-UHFFFAOYSA-N 360.464 2.202 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc1 8756764 DHSGDCTVLQPXJH-SNVBAGLBSA-N 373.800 2.499 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCCOc1ccccc1F 8777916 OUFNLOGJGFNBSC-UHFFFAOYSA-N 370.380 2.397 0 40 FEAB CNC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 94870875 ZDCAFSNKHTZQCO-JTQLQIEISA-N 367.334 2.439 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCN(C)CC1 97618050 HFAJYPCQJZVLLK-INIZCTEOSA-N 351.878 2.259 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCCc1ccc(F)cc1 219016051 BZIZTYGHFIAYBY-CALCHBBNSA-N 358.413 2.216 0 40 FEAB COc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc2c1OCCO2 520994239 HZFOJXHIGCNWMI-HNNXBMFYSA-N 374.437 2.084 0 40 FEAB Cc1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)cc1C 44241738 XVQNNAXEDHSFOQ-UHFFFAOYSA-N 370.526 2.202 0 40 FEAB COc1ccc(C)cc1NC(=O)Cn1nc(N(C)C)c2ccccc2c1=O 49007199 MFCNPFRXCHPJER-UHFFFAOYSA-N 366.421 2.418 0 40 FEAB COc1ccn2c(C(=O)N3CCO[C@H](c4nnc(C(C)C)o4)C3)cnc2c1 570795424 ZXTRGWBNBBNLLS-AWEZNQCLSA-N 371.397 2.063 0 40 FEAB NC(=O)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421103 BVTUQHKFPZAHJR-GFCCVEGCSA-N 354.435 2.353 0 40 FEAB Cc1cc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)ccc1Br 137843822 XDBWSPUYZIZFSP-GHMZBOCLSA-N 361.286 2.411 0 40 FEAB CN1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2N)CC1 226262411 UDUXRHOLCVBHDK-UHFFFAOYSA-N 351.665 2.329 0 40 FEAB COc1ccc(NC(=O)c2cn(-c3cc(N(C)C)ncn3)cn2)cc1F 49411342 KXCMYCJHLSRWGQ-UHFFFAOYSA-N 356.361 2.128 0 40 FEAB COc1cccc(OC)c1CNC(=O)c1cnc2sc(C)c(C)n2c1=O 223036682 OGHUKQRYFCUNFH-UHFFFAOYSA-N 373.434 2.320 0 40 FEAB Cc1cccc(CNC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c1 225879331 VYLYWWNPWUXMHO-UHFFFAOYSA-N 353.469 2.086 0 40 FEAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 245482293 CZVBFXHICOMEQP-MISYRCLQSA-N 372.490 2.112 0 40 FEAB CN1CCCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 248155267 VJLNLVUXIAWGDB-FCBIJRMHSA-N 354.450 2.211 0 40 FEAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1 585083158 CVFNHYVPQQEFQE-INIZCTEOSA-N 361.877 2.302 0 40 FEAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(CN)NC(=O)OC(C)(C)C 252514482 CPCIUZYFGZHWEX-RKVPGOIHSA-N 368.499 2.118 0 40 FEAB CC(=O)N1CCN(Cc2ncc[nH]2)C[C@@H](Cc2ccc3ncccc3c2)C1 257233676 GQEYPNVBTKWIEL-GOSISDBHSA-N 363.465 2.481 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(C)=O 257294869 QWARCAUSGVEAOY-ICSRJNTNSA-N 360.454 2.466 0 40 FEAB O=C(NC[C@@]1(O)CCCN(c2ccccn2)C1)c1cc2c(s1)CCC2 257288326 PTTLHOXSHVRYFB-IBGZPJMESA-N 357.479 2.393 0 40 FEAB Cc1ccc2oc(C(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)cc2c1 257312050 UMGLBZGPDOBSDT-HOTGVXAUSA-N 358.438 2.479 0 40 FEAB Nc1ncc(-c2ccc([C@@H]3CCCCN3CC(=O)N3CCCC3)cn2)cn1 257244615 IMCLTWWIWSEOTR-SFHVURJKSA-N 366.469 2.270 0 40 FEAB CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@H](OC3CCC3)C1)CC2 654523279 UAJWQKYJXGGAQK-HOCLYGCPSA-N 361.490 2.459 0 40 FEAB CC1(C)[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)[C@@H]1c1ccccc1 606444810 BEALESWEGLWEBD-XIRDDKMYSA-N 361.467 2.315 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365509 ZQMSDTAHBMHBND-HNNXBMFYSA-N 359.403 2.104 0 40 FEAB Cc1nnc(N(C)C(=O)[C@H](c2ccccc2F)N2CCOCC2)s1 291860915 JYGVEVLBILSWEN-AWEZNQCLSA-N 350.419 2.022 0 40 FEAB CCOc1ccc(CNC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 298154142 YINMAHGQZWFAEF-UHFFFAOYSA-N 358.394 2.357 0 40 FEAB CO[C@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Cc1ccccc1C 585281509 YIVAVOKASLXGQJ-MOPGFXCFSA-N 358.482 2.414 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2ccc(C(C)C)nc2C)C3)o1 685941398 VMTJYJBICZJBSC-LIRRHRJNSA-N 356.426 2.245 0 40 FEAB CCOCC(=O)N1Cc2cnn(C3CCN(C(=O)C=C4CCC4)CC3)c2C1 1775989081 CEEMRDNBFHEYRJ-UHFFFAOYSA-N 372.469 2.036 0 40 FEAB C[C@H](C(=O)Nc1nccs1)N1CCN(C(=O)C2CCCCC2)CC1 58268201 MIRUFCPDHXUZME-CYBMUJFWSA-N 350.488 2.195 0 40 FEAB Cc1nc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cn1C 655642019 PKIWNFHIUUEUAY-UHFFFAOYSA-N 371.466 2.240 0 40 FEAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4cccs4)nn23)CC1 1501040522 VYAIBMWURLYSSC-UHFFFAOYSA-N 369.497 2.053 0 40 FEAB CN(C)c1cccc(C(=O)N2CCC(n3nnc4cccnc43)CC2)c1 12088697 AFYASURTZSKAKT-UHFFFAOYSA-N 350.426 2.370 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 12276537 AXLZFEABHTYEDQ-HNNXBMFYSA-N 354.414 2.017 0 40 FEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16025029 GFOJAQICYFSWDZ-JFHCMYTQSA-N 369.465 2.252 0 40 FEAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CCCCO1)C2 19017313 MDRGVBQKAGQHMV-ZWKOTPCHSA-N 372.469 2.004 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Oc1ccc(N2CCCC2=O)cc1 19211444 HYASINBHRUIRNY-UHFFFAOYSA-N 366.373 2.144 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19579994 CWFNOJGUZQFMJW-CQSZACIVSA-N 355.442 2.089 0 40 FEAB COc1cccc(CCCNC(=O)c2cnc3c(C)cccn3c2=O)c1 19714703 ISNXRCULVQRNKH-UHFFFAOYSA-N 351.406 2.374 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCCCC1 19930661 OWTCXPZOTRVZOT-UHFFFAOYSA-N 350.484 2.463 0 40 FEAB Cn1c(N2CCC(COc3cnccn3)CC2)nc2ccccc2c1=O 1889179577 NEVMSLQYRYRBPL-UHFFFAOYSA-N 351.410 2.019 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C)c3)C2)cc1F 1889214385 IORGILDNVGAYFZ-UHFFFAOYSA-N 366.414 2.380 0 40 FEAB O=C(NCC1(c2ccccc2)CC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14801585 HEZVVNOJMKXFBJ-UHFFFAOYSA-N 373.478 2.261 0 40 FEAB Cc1cccc(CN2CCC3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC3)C2=O)c1 1565551528 GYDHSPGFULVXOY-BWTSREIZSA-N 368.477 2.229 0 40 FEAB COC(=O)[C@@H](C)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165198 XUERLGWMYCUJJB-SNVBAGLBSA-N 374.422 2.462 0 40 FEAB O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 4743025 ONQIRCWMHMURCN-UHFFFAOYSA-N 371.418 2.016 0 40 FEAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(F)c(Cl)c1 206818870 VBEDGJDPAIAXQH-VIFPVBQESA-N 361.851 2.493 0 40 FEAB Cc1ccc(=O)n(CC2CCN(CCc3ccc4c(c3)CCO4)CC2)n1 585502318 RWCARYRDAIDUHV-UHFFFAOYSA-N 353.466 2.441 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 20017575 GZEKSZJPSSAYPQ-UHFFFAOYSA-N 350.362 2.104 0 40 FEAB CC1CCN(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)CC1 40105094 NPJTWFCZOQJZET-HNNXBMFYSA-N 367.519 2.118 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 40144978 FJBXYSJUFMIZFZ-ZETCQYMHSA-N 358.366 2.313 0 40 FEAB CCN(Cc1cccs1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 30859431 KBEBRVHBRXTDLZ-UHFFFAOYSA-N 370.482 2.451 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1C 47229121 NWWWLVJZGCCVIY-OAHLLOKOSA-N 369.421 2.122 0 40 FEAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccnc1N1CCCC1 47226014 KKCXMIQJVFJPLR-UHFFFAOYSA-N 352.438 2.369 0 40 FEAB O=C(CSc1nc(-c2ccccc2)cs1)N[C@@H]1CCS(=O)(=O)C1 4393390 KEBSYJVODULVLO-GFCCVEGCSA-N 368.505 2.206 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)Cn3cccn3)cc2C1=O 24804071 DSBQZANIXBAGTD-ZDUSSCGKSA-N 354.410 2.098 0 40 FEAB COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)cc1OC 35148015 XNIJZVNDDZTSNI-OAHLLOKOSA-N 373.413 2.321 0 40 FEAB Fc1ccccc1-c1nnc2ccc(NCCCN3CCOCC3)nn12 57126675 SYMVYEOXSLVFLD-UHFFFAOYSA-N 356.405 2.065 0 40 FEAB C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1ncc(-c2ccccc2)n1C 57996230 VCAZGCZTRBZMGO-CYBMUJFWSA-N 361.467 2.308 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 44701089 ROEPZDGKTRLPRW-UHFFFAOYSA-N 367.405 2.102 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 12791888 CUJXTBYBDJOZBE-CQSZACIVSA-N 370.280 2.272 0 40 FEAB CCOc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12789903 BBGYZVBQPSMPHY-UHFFFAOYSA-N 353.378 2.117 0 40 FEAB C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 58283094 QCTBDMHICNWLQF-PSVSLLHZSA-N 353.378 2.262 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccs1 3351527 SQQLMWMQAAEWGG-INIZCTEOSA-N 364.492 2.141 0 40 FEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 101694123 XBRXSCVYMVJDQZ-KBUPBQIOSA-N 368.524 2.454 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cnccn2)ccc1Br 3317746 PWRAUTWUNCQLMM-UHFFFAOYSA-N 350.172 2.343 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(Cn3cncn3)cc2)CC1 10655625 LGOJOKJRABLQJL-OAHLLOKOSA-N 356.426 2.130 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Cn3cncn3)cc2)[C@@H]1C 10655160 QZYLHBXMMNHCIS-IIDMSEBBSA-N 370.453 2.424 0 40 FEAB COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12876011 IJVQOMRDZUPCGF-LBPRGKRZSA-N 354.410 2.324 0 40 FEAB CC(C)C[C@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1 12860959 CPHMSTKELRDMDF-OAHLLOKOSA-N 360.907 2.365 0 40 FEAB C[C@@H]1CN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CCO1 11454742 FVIWBQYTDOHADK-CQSZACIVSA-N 364.401 2.344 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C1 45824926 DFURPGGNABWBEY-MRXNPFEDSA-N 372.469 2.389 0 40 FEAB CCOC(=O)c1sc2ncnc(N(C)CC(=O)N(CC)CC)c2c1C 21364057 LNPGVGAQTGMBJH-UHFFFAOYSA-N 364.471 2.481 0 40 FEAB COc1ccc(Cl)cc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1C 12274275 IAGSDCPPSUMRLY-GFCCVEGCSA-N 350.806 2.147 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)CCNC(=O)c2cccs2)ccn1 47013340 WNSZMNSANRKOHP-UHFFFAOYSA-N 369.450 2.074 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 4081000 YHDCULZWYFVDAB-LIRRHRJNSA-N 368.414 2.302 0 40 FEAB biogenic CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6051079 FDTQXBGXSPVAGF-SNVBAGLBSA-N 363.277 2.032 0 40 FEAB CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccncc1 4271595 DGXNRHOAPBHXCX-KRWDZBQOSA-N 367.380 2.434 0 40 FEAB Cc1cccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 13719803 PWMUHPFVEYCKFB-UHFFFAOYSA-N 359.389 2.347 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)n(C)c1 13986535 SVBPZKHMMSZIOL-UHFFFAOYSA-N 351.428 2.014 0 40 FEAB CC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O 5207454 JTVMSWXIZQNJBS-ZDUSSCGKSA-N 362.407 2.186 0 40 FEAB O=C1NCCCC[C@@H]1Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 14183133 RFTBEHQRSOQIDR-NSHDSACASA-N 373.360 2.322 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)on1 14153530 BFAQOPULGGQZMZ-SKDRFNHKSA-N 361.329 2.118 0 40 FEAB C[C@H]1CN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)C[C@H](C)O1 6664679 RUBIFIONJMCKLJ-RYUDHWBXSA-N 373.844 2.386 0 40 FEAB NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 6832236 PGMOCFARULXOEU-OAHLLOKOSA-N 368.418 2.357 0 40 FEAB Cc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCc3ccco3)n2)cc1 5867243 WSKUYDINFYSXCV-UHFFFAOYSA-N 371.422 2.491 0 40 FEAB COCCSc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 4975955 OAFOFDHSHFPPHK-JTQLQIEISA-N 370.500 2.006 0 40 FEAB Cc1cc(N)nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 7049282 WQGLKJUPNXRWLY-LLVKDONJSA-N 360.439 2.108 0 40 FEAB COC(=O)[C@H](OC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)C(C)C 71794786 MQGYNZWAQHLJJI-GFCCVEGCSA-N 364.423 2.067 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)Cn1c(=O)cnc2ccccc21 16147567 RDFDPQUPSNYIGA-UHFFFAOYSA-N 351.406 2.242 0 40 FEAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20483649 XTMHWECKHXLJQA-INIZCTEOSA-N 367.515 2.268 0 40 FEAB C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1 7941985 CSFKVBWGCXIJDX-NSHDSACASA-N 357.797 2.221 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 16555731 BLHFDOIEEYXKCJ-CYBMUJFWSA-N 368.441 2.160 0 40 FEAB NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 8193079 LJUHSGJLJOCQEJ-MRXNPFEDSA-N 358.486 2.203 0 40 FEAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C 20466111 ZFKXNBKKSJPZIT-PMCZWNHSSA-N 352.519 2.475 0 40 FEAB biogenic,in-vitro O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Br 170609903 KAGUJKLJYYBMKS-TUAOUCFPSA-N 374.242 2.367 0 40 FEAB O=C(NCc1cccc(Br)c1)c1sccc1-n1cnnn1 72007785 WSFAETCCGFBVPL-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB COc1ccccc1-c1cc(C(=O)N2CC[C@@H](N)C2)c2c(C)noc2n1 97019427 LIBCZWQTOBJCTB-GFCCVEGCSA-N 352.394 2.380 0 40 FEAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 72241277 ZHIOWDGBTQTQMS-JKSUJKDBSA-N 362.817 2.093 0 40 FEAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)s1 306133585 MQFPOPHUOXDBAV-ZIAGYGMSSA-N 371.510 2.235 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)N(C)C)c1 20457974 YKLPQUXNPMGIQP-UHFFFAOYSA-N 367.515 2.317 0 40 FEAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O 39985677 NOKYUMUFXCJUFF-ZUZCIYMTSA-N 361.225 2.454 0 40 FEAB O=S(=O)(NCCCN1CCOCC1)c1cc(Cl)sc1Cl 38638392 HONIRHRLUNJLQY-UHFFFAOYSA-N 359.300 2.056 0 40 FEAB CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 551522958 FXVQBHBOWOBZJM-LJQANCHMSA-N 353.466 2.025 0 40 FEAB COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 34087015 DPPLEOROVGYKEO-ACJLOTCBSA-N 373.453 2.351 0 40 FEAB CCc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1 62006713 LMIRRBPJIYCLDT-UHFFFAOYSA-N 365.368 2.384 0 40 FEAB COc1ccccc1-c1nccnc1[C@H]1CCCN(CC(=O)N(C)C)C1 72358873 YADMRZRASCOYOI-HNNXBMFYSA-N 354.454 2.420 0 40 FEAB CCOc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1 38773232 RYYDNZVMNOLKHH-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB CC(C)CNC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 225892975 NDLZGXAEDADJFG-UHFFFAOYSA-N 363.409 2.274 0 40 FEAB CNC(=O)CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 223398239 KOUXVZOHVAVFBH-UHFFFAOYSA-N 364.492 2.345 0 40 FEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc21 225479024 KOAKKHBCYDAKQW-WMZOPIPTSA-N 366.417 2.342 0 40 FEAB biogenic,in-vitro Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)C2 225521826 TVMKVINHCUYGFQ-TZMCWYRMSA-N 372.856 2.398 0 40 FEAB COC(=O)[C@](CC1=CC[C@H]2C[C@H]1C2(C)C)(NS(C)(=O)=O)C(F)(F)F 239347218 MLJVFKXWSFYGOJ-WDMOLILDSA-N 369.405 2.392 0 40 FEAB CCN(CC)C(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101023 SXPYVNONYVBLFO-CYBMUJFWSA-N 359.426 2.357 0 40 FEAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 96056953 ANLKBCPSDAQKCA-AEFFLSMTSA-N 352.500 2.224 0 40 FEAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)s1 248122294 VTNUKWBHKKTKNE-KDOFPFPSSA-N 363.483 2.073 0 40 FEAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)CCc2ccn(C)n2)C1 585085653 LOJRLWAVVAOGCR-GOSISDBHSA-N 355.486 2.118 0 40 FEAB C[C@H]1CN(Cc2cccnc2)CCN1C(=O)c1cnc(OCC2CC2)cn1 585081919 AUTGSSPBPOHUJO-HNNXBMFYSA-N 367.453 2.007 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 248044558 PYFBQVIHTXLGLI-CQSZACIVSA-N 352.456 2.126 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)n1 257296680 RDWUIVVZQSPOLT-HNNXBMFYSA-N 366.425 2.036 0 40 FEAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3ccccc3)ccnc12 257282428 OTTDAKRPCDUDLL-INIZCTEOSA-N 363.421 2.456 0 40 FEAB Cc1ccnc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257331896 XUTALOABWTVEQB-MRXNPFEDSA-N 351.410 2.194 0 40 FEAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CNC(C)=O)o2)c1 257237594 HHEKZQNJHMHYDI-GOSISDBHSA-N 371.437 2.464 0 40 FEAB Cc1nccc([C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)CCO2)n1 257338675 YYLOLBDMWGYMFH-SFHVURJKSA-N 351.410 2.043 0 40 FEAB O=C(O)c1ccc(O[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@H]2O)cc1 257221942 DRFYVWOXBKVZJU-RTBURBONSA-N 352.390 2.490 0 40 FEAB O=c1cc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)[nH]c2ccnn12 1775996632 BCOAVHNEIKTKPP-IBGZPJMESA-N 350.422 2.376 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)cn2)C1 1116792675 DQXMPKPJLKJDSI-LLVKDONJSA-N 371.359 2.154 0 40 FEAB CN1CCN([C@@H](C(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc2)CC1 633138264 HXFGSQHTOGHBDU-GOSISDBHSA-N 369.421 2.018 0 40 FEAB C[C@@H](c1ccccc1)n1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)cn1 646442768 WAVBAFRSRQRLTP-WMZOPIPTSA-N 371.485 2.461 0 40 FEAB COc1cc(C)c(S(=O)(=O)N[C@]2(C)CCO[C@H]2C2CC2)cc1OC 680109160 VDIGGGMCBXNJEK-DLBZAZTESA-N 355.456 2.248 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)[C@@H]1CCc2ccccc2O1 575609010 RFLFTHWYFHWTNC-KRWDZBQOSA-N 351.406 2.218 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccccc3Cl)C2)OC1 585104769 MEBVRQXFYWIGKP-CQSZACIVSA-N 372.918 2.260 0 40 FEAB Cc1ccc(C)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1C 585287812 SIZBCFPRJWBWAC-RXVVDRJESA-N 363.498 2.093 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)NCCCOCc2ccco2)c1 43936683 NAQDXXSHIDKKBC-UHFFFAOYSA-N 356.386 2.199 0 40 FEAB Cc1ccc(C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)cc1 12336927 XHHTXDHOQVDZBJ-UHFFFAOYSA-N 352.398 2.021 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)NC2CCCC2)CC1=O 12865260 FPCFAKLYILSLLY-ZIAGYGMSSA-N 374.437 2.039 0 40 FEAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@@H]2CCCOC2)n1 19457467 FOBNWFYHHYXPLZ-NEPJUHHUSA-N 351.838 2.262 0 40 FEAB CCOc1cc2c(cc1CN1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 19532431 VIQMGZUTPQLLEN-ZDUSSCGKSA-N 357.410 2.195 0 40 FEAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3c3ncccc32)cc1 19585001 VMOZXBQBEWULPP-QGZVFWFLSA-N 365.437 2.102 0 40 FEAB CC(C)N1C[C@H](C(=O)Nc2ccc(N3CCCC3)c3nonc23)CC1=O 19656202 DHZMAOFUFLXDDY-GFCCVEGCSA-N 357.414 2.018 0 40 FEAB O=C1CC[C@H](CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)N1 19660254 GKERKBHSHAGQRX-CYBMUJFWSA-N 358.467 2.004 0 40 FEAB CCCCC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 17269798 WNRLUIPZICCXLQ-UHFFFAOYSA-N 373.453 2.169 0 40 FEAB O=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c(=O)c2ccccc12 14141548 ZUCVLYVWNOHWAR-UHFFFAOYSA-N 362.433 2.318 0 40 FEAB O=C(c1cscn1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984758 MQNIIOQJUZJHCN-CJNGLKHVSA-N 357.435 2.037 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)COc2ccccc2)s1 4078354 RWOPILCWGJPVRG-UHFFFAOYSA-N 353.425 2.211 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)c(OC)c1 7595607 QOHKXOAZUCEQSQ-AWEZNQCLSA-N 371.455 2.058 0 40 FEAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)c1 225688419 BDAOUHHQYKTYFL-SFHVURJKSA-N 374.510 2.285 0 40 FEAB O=C(NCc1cnn2c1CCCC2)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 225610455 GAPNFYGJZYUKNP-UHFFFAOYSA-N 365.393 2.268 0 40 FEAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1 45970553 DEBSHGFSMGOMPF-UHFFFAOYSA-N 369.450 2.400 0 40 FEAB O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc2c(c1)CCC2 40146043 SKJZEBOPNCUULT-UHFFFAOYSA-N 355.442 2.082 0 40 FEAB CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 100102714 YHSLGTJWHCAKKW-WDEREUQCSA-N 370.540 2.398 0 40 FEAB CCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1 21294349 PPTNEQYSXJJJMO-UHFFFAOYSA-N 359.451 2.474 0 40 FEAB O=C(Nc1ccccc1C(=O)NCCC(=O)N1CCCC1)c1ccco1 32721350 HWXQIONNNWWVCM-UHFFFAOYSA-N 355.394 2.274 0 40 FEAB Cc1cc(C)nc(SCC(=O)OCC(=O)N(C)Cc2cccs2)n1 21703091 OHBABEYLMYCCHB-UHFFFAOYSA-N 365.480 2.449 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c2)n1 102608166 VMLRCFXKDZKCPG-BRSBDYLESA-N 351.406 2.215 0 40 FEAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)c(OC)c1 61721674 LTORYMONMJUWCD-UHFFFAOYSA-N 357.410 2.168 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCC1 1330874 PFJYWPJSZCADED-UHFFFAOYSA-N 371.828 2.248 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CC 3522044 IGKKKNSWGNFIJM-VIFPVBQESA-N 353.473 2.353 0 40 FEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1COc2ccccc2O1 23717296 MMBLHHIRDNRVEK-KRWDZBQOSA-N 354.362 2.103 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1nc(-c2ccsc2)no1 24726559 PXSSXQUEZDDRBU-LBPRGKRZSA-N 351.428 2.435 0 40 FEAB C[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)NCc1ccccc1 55344873 QNYYUKPJOOBDOH-CYBMUJFWSA-N 350.374 2.228 0 40 FEAB CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@@H]1CCOC1 106845060 OMICZSPBWPBNLD-MRXNPFEDSA-N 363.417 2.306 0 40 FEAB COc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc(OC)c1OC 1426100 ZPHPXFRWMAMNKC-UHFFFAOYSA-N 365.407 2.368 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)OCCO3)C2=O 3271352 VOLXEANWRJZRDT-UHFFFAOYSA-N 358.394 2.141 0 40 FEAB Cc1ccc(N2C(=O)N(C[C@@H](O)COCc3ccco3)C(=O)[C@H]2C)cc1 48234430 YXKDRWFCYBDORH-GDBMZVCRSA-N 358.394 2.323 0 40 FEAB COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2F)N(C)C)c1 10091215 GSUZZVVBMBDEEP-MRXNPFEDSA-N 352.431 2.416 0 40 FEAB COC(=O)[C@@](NC(=O)CC(C)C)(Nc1ncc(C)s1)C(F)(F)F 2050501 FRVSJFDOWKLHBC-GFCCVEGCSA-N 353.366 2.457 0 40 FEAB O=C(NCCCOC1CCCCC1)c1ccccc1CN1C(=O)CNC1=O 10126390 BHISCUSPLSVLNC-UHFFFAOYSA-N 373.453 2.208 0 40 FEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)no1 58168766 XAMZFPWSXXBWNM-UHFFFAOYSA-N 358.427 2.311 0 40 FEAB Cc1ccc(CN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080484 KEMOVWWEJYTSRQ-RBUKOAKNSA-N 370.474 2.009 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2NC1=O 12790659 FENAQTJSRIRLOV-GWCFXTLKSA-N 351.362 2.471 0 40 FEAB C[C@@H]1CN(C(=O)CCNC(=O)CCOc2ccccc2Cl)C[C@@H](C)O1 58378441 BQISQABNLXKMQJ-ZIAGYGMSSA-N 368.861 2.251 0 40 FEAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NC[C@@H](c1ccco1)N(C)C)(C3)C2 103019464 QQYANPIIHVTJET-LWOAXLAHSA-N 373.497 2.474 0 40 FEAB CCc1noc([C@@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 36396370 YIIULLBBZDSGGY-CQSZACIVSA-N 358.442 2.282 0 40 FEAB Cc1cnc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cn1 12806711 OLROYJSUKHFGCD-UHFFFAOYSA-N 366.377 2.256 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCCc3cccs3)CC2=O)cc1OC 28435076 MYZHUOSJUAOCEK-CYBMUJFWSA-N 374.462 2.477 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(=O)n2ccsc2n1 10949029 VUVQPTHYTPRKLS-ZUZCIYMTSA-N 358.375 2.028 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3ccccc3C2=O)c1C 2649967 MHXGNTXMGKDMCY-UHFFFAOYSA-N 354.362 2.287 0 40 FEAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC1CCOCC1 67890105 YZAKEUIXQMQHPL-BEFAXECRSA-N 363.502 2.233 0 40 FEAB biogenic,in-vitro C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCN1CCc2ccccc2C1 37170971 YWPRDCZPCGPPJL-YWZLYKJASA-N 352.434 2.389 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1F 24052238 NWDCFAGRZZAGDJ-UHFFFAOYSA-N 357.428 2.016 0 40 FEAB Cc1cc(C)nc(SCCC(=O)OCN2C(=O)c3ccccc3C2=O)n1 2751119 HSFQMYSRQRTXQP-UHFFFAOYSA-N 371.418 2.373 0 40 FEAB O=C(NCc1ccc(OC(F)F)cc1)[C@H](Cc1ccccc1)n1cnnn1 12982698 QPDJOIRUEZHJNS-INIZCTEOSA-N 373.363 2.375 0 40 FEAB CCCCN(C(=O)c1ccc(C)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O 13004002 RZTXJTJBIBEZID-UHFFFAOYSA-N 362.430 2.267 0 40 FEAB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1ncnc2nc[nH]c12 14196813 LMVTYYUDDUHQPE-VIFPVBQESA-N 351.322 2.283 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@@](C)(O)c1ccc(C)o1 81819356 DVIPPKJIVLIHSZ-QGZVFWFLSA-N 351.424 2.019 0 40 FEAB COc1ccc(C)cc1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 17853041 PIMCMNQJJSAULP-ZDUSSCGKSA-N 362.451 2.071 0 40 FEAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 306134048 NCNXNACJSFWKSR-UHFFFAOYSA-N 368.485 2.042 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccn2)cc1 8728802 ACAWRASQNCSSSD-UHFFFAOYSA-N 368.422 2.193 0 40 FEAB CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 18543955 QNJIHKFNRINZON-STQMWFEESA-N 357.497 2.211 0 40 FEAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O 39985682 NOKYUMUFXCJUFF-BMIGLBTASA-N 361.225 2.454 0 40 FEAB CCc1nc(-c2cc(S(=O)(=O)NCc3ccco3)ccc2OC)no1 64789584 SWGBMPUNDPALHW-UHFFFAOYSA-N 363.395 2.379 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1F 30289513 MAUUVPMYGPXOQY-UHFFFAOYSA-N 369.414 2.373 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353045 YCINPJVDPBJIEG-HNNXBMFYSA-N 365.434 2.303 0 40 FEAB CN1C(=O)c2ccc(C(=O)NCCCN3CCc4ccccc43)cc2C1=O 31254622 NZYDEMQIPWPQFN-UHFFFAOYSA-N 363.417 2.095 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225105664 WCKPGJDTZGQOKJ-JTQLQIEISA-N 354.457 2.176 0 40 FEAB CC(=O)c1cn(CC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)nn1 576550459 PWUSAJIAMAVSDI-CQSZACIVSA-N 360.418 2.131 0 40 FEAB O=C(c1ccc(F)cc1)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159415 HBHCVDKRLASIGY-FQEVSTJZSA-N 353.397 2.486 0 40 FEAB c1ccc(CN2CCOC[C@@]3(C[C@H](CNc4ccccn4)CO3)C2)nc1 96240442 MYCMLSNFVDBMNQ-YLJYHZDGSA-N 354.454 2.196 0 40 FEAB Cc1ccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)s1 96255675 TUSFWHLRTBSUPH-UHFFFAOYSA-N 357.527 2.199 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccccc1)C2 96238093 NQWSEIUAHUDOKH-LJQANCHMSA-N 355.463 2.311 0 40 FEAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)NC(C)C)C1 96244556 CBDOAQROWOYEHX-LJQANCHMSA-N 359.474 2.199 0 40 FEAB Cc1cccc(C(=O)OC(C)(C)C)c1NS(=O)(=O)c1ccnn1C 585138535 ZARDEDRTYBLGBY-UHFFFAOYSA-N 351.428 2.485 0 40 FEAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C2)c1 257210250 BTUJTPRFGHXQHB-HNNXBMFYSA-N 353.426 2.415 0 40 FEAB C[C@@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027912 JLKWMWWDAXZDEJ-PXAZEXFGSA-N 369.373 2.109 0 40 FEAB CC(=O)NCc1cnc(CC2CCN(Cc3scnc3C)CC2)cn1 257251714 JRWKTNARPZOKFO-UHFFFAOYSA-N 359.499 2.332 0 40 FEAB CC(C)n1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257263568 LQPQSXFADCKXTD-AWEZNQCLSA-N 363.487 2.135 0 40 FEAB CC1(C)COC(=O)N1c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 257300280 RTSJCNSHFDDIEO-UHFFFAOYSA-N 367.471 2.031 0 40 FEAB CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Cl)C1 281645297 MOGWJKRMFGVPMR-SNVBAGLBSA-N 351.255 2.283 0 40 FEAB C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC=CCC1 655454531 QQEWYFVYAWFMSH-JLTOFOAXSA-N 356.422 2.426 0 40 FEAB C=CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)cc1 1162846382 MYJMZGXJKYOQGB-SFHVURJKSA-N 363.417 2.124 0 40 FEAB CO[C@](C)(C(=O)O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 663045471 IDBVGEMBYDKLIL-BONVTDFDSA-N 361.225 2.178 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1Cc1nc(-c2ccc(C(F)F)nc2)no1 664960295 VLYXNJPRUPAUEF-UHFFFAOYSA-N 363.324 2.434 0 40 FEAB CCN1C(=O)CO[C@H](c2nc([C@@H]3CCC[C@H]4C[C@@H]43)no2)[C@H]1c1nccn1C 624650773 LJSVOCOYUXIONS-AKIOZOGOSA-N 371.441 2.368 0 40 FEAB Cn1cc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(-c2cccnc2)n1 643820831 BCDHSUGKDOMQRQ-HNAYVOBHSA-N 352.442 2.463 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 643940794 QOSXXEPHKYONCV-MRXNPFEDSA-N 358.360 2.288 0 40 FEAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 44717982 KOGVIPJNDPOYGD-UHFFFAOYSA-N 364.511 2.491 0 40 FEAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)no1 76023147 KHTIDQFRWFEMIR-CHWSQXEVSA-N 353.419 2.171 0 40 FEAB NC(=O)[C@H]1CCCCN1C(=O)CSc1cccc(Br)c1 78461127 PWTVMGKVVHQTKJ-GFCCVEGCSA-N 357.273 2.408 0 40 FEAB CC(=O)N[C@H](CC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 84752814 XTWNGZCESBNMAG-PKOBYXMFSA-N 365.433 2.176 0 40 FEAB COc1cccc(C(=O)N2CCc3c(cnc4cc(C)nn34)C2)c1OC 218843928 MOBUSKSOSUUSFH-UHFFFAOYSA-N 352.394 2.253 0 40 FEAB CC(C)CCN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 1534639770 BYFDZKYBHLFWLY-LTFPLMDUSA-N 357.454 2.212 0 40 FEAB Cc1nn(C)c(C)c1CN1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615131294 SYLOFJRIVGHYCO-HXUWFJFHSA-N 372.444 2.184 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c1n2C 12183588 IWGBOGBGHBUPQM-VXGBXAGGSA-N 356.426 2.294 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 19347571 NTJBZMFOQKCHOY-CYBMUJFWSA-N 352.373 2.179 0 40 FEAB COc1cccc(-n2nnc(C(=O)NCCn3nc(C)c(C)c3C)c2C)c1 19557237 URLVDNMASUINGN-UHFFFAOYSA-N 368.441 2.136 0 40 FEAB CC(=O)N[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C2(CCNCC2)C1 19703781 SZGXETBGXBNWOF-GOSISDBHSA-N 361.461 2.008 0 40 FEAB Cc1ccc(-c2nc(C(=O)N3CCC(n4cnnc4O)CC3)cs2)o1 538832524 SXBVRYORFAUFAG-UHFFFAOYSA-N 359.411 2.486 0 40 FEAB C[C@]1(NC(=O)CSc2ccc3ccccc3n2)CCS(=O)(=O)C1 5626713 GTXATSQUHZQJJN-INIZCTEOSA-N 350.465 2.020 0 40 FEAB CSc1nc(C2CC2)cc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 1888860428 DXYYDBGRDJYDBI-UHFFFAOYSA-N 371.510 2.097 0 40 FEAB c1nc(N2CCCC2)cc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1889102680 LUQOQURXTKLHED-UHFFFAOYSA-N 357.487 2.132 0 40 FEAB CCN=c1nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc[nH]1 1889119552 ZHUHOJHYAFKEMP-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C[C@H]1C=CS(=O)(=O)C1 16446920 SHYCCNDCIHQVMI-VXGBXAGGSA-N 371.842 2.467 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)c4csnn4)CC3)C2)cc1 1565555496 IYSABEBMXDJCID-UHFFFAOYSA-N 372.494 2.354 0 40 FEAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 2711020 CSQQBEMRVOAXTG-ZIAGYGMSSA-N 364.423 2.013 0 40 FEAB Cc1ccc(Cn2ccn(-c3ccc4c(c3)OCCO4)c(=O)c2=O)cc1 4569882 XSJXJDMOUBRAFL-UHFFFAOYSA-N 350.374 2.127 0 40 FEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 5351757 VZAGEXRTYNZYND-AWEZNQCLSA-N 362.426 2.134 0 40 FEAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 10219311 WNFXICJDKBXMHR-UHFFFAOYSA-N 368.436 2.075 0 40 FEAB O=C(NCCCSc1nnnn1-c1ccccc1)Nc1nccs1 10220886 XSCAQTCRZKLQPL-UHFFFAOYSA-N 361.456 2.423 0 40 FEAB O=C(NC1CC1)C1(Nc2cccc(F)c2)CCN(c2ncccn2)CC1 2055738870 WOQSPLOYMMFOGX-UHFFFAOYSA-N 355.417 2.345 0 40 FEAB CCN(CC)CCn1c(S)nc2cc(C(=O)NC(C)C)ccc2c1=O 20645259 HLLUIJMONSZTSB-UHFFFAOYSA-N 362.499 2.165 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)CSc1ccc(F)cc1)C2 618257603 ZAXZNBGZEJKFFD-CQSZACIVSA-N 360.458 2.448 0 40 FEAB O=C(Nc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)cn1)C1CC1 2298052394 WUYWSXTTWFJAKJ-UHFFFAOYSA-N 364.453 2.424 0 40 FEAB O=C(COC(=O)c1ccc(N2CCCCCC2)nc1)NC(=O)c1ccco1 31508753 RJPRYYPXVXMECY-UHFFFAOYSA-N 371.393 2.168 0 40 FEAB C[C@@H]1C=C[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@@H]1C(=O)OCc1cccc2cccnc12 103806784 PTWXEXRXSPWJMT-ZFVVBOAOSA-N 364.401 2.331 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)cc1 47661296 HCLYZZWQQSHTRM-UHFFFAOYSA-N 372.446 2.398 0 40 FEAB O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 78964209 RXRFAOAWURCWEQ-GFCCVEGCSA-N 370.384 2.002 0 40 FEAB O=C1C(=O)N(Cc2ccco2)C(=O)N1Cc1cc(-c2ccccc2)on1 12568011 MGIRFDBOTUBVAF-UHFFFAOYSA-N 351.318 2.426 0 40 FEAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(F)c4)nc32)c1 4274089 RCOMQWQYFHKCCJ-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(F)c1 24014173 POXMPPVACYVGSO-SFHVURJKSA-N 364.442 2.178 0 40 FEAB OC[C@@H](O)[C@@H](O)[C@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4962301 OORRNQJYAWSLHU-DJIMGWMZSA-N 357.233 2.200 0 40 FEAB CCOc1ccccc1C(=O)Nc1cc2c(cc1C)n(C)c(=O)c(=O)n2C 6916745 QUPRJSYSNIGSPL-UHFFFAOYSA-N 367.405 2.197 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 12574449 IDNOCQFGHJHVKL-SFHVURJKSA-N 364.384 2.210 0 40 FEAB CN1C(=O)C(=O)N(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1=O 26618545 LDAOUKJLYPGCJZ-UHFFFAOYSA-N 355.316 2.048 0 40 FEAB NC(=O)COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12624288 BIJACGFRIZPLMV-UHFFFAOYSA-N 352.312 2.500 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)N[C@@H]3CCOc4ccccc43)nc2n1 27112585 NMOLGFNJAYTQKC-CQSZACIVSA-N 369.450 2.473 0 40 FEAB O=S(=O)(CCn1cnc2ccccc21)N[C@@H]1CCOc2ccccc21 12606486 RXMBHZWZDVYKMK-OAHLLOKOSA-N 357.435 2.480 0 40 FEAB NS(=O)(=O)Cc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 58314118 WREYXBOVJBQBRF-UHFFFAOYSA-N 352.843 2.101 0 40 FEAB O=S(=O)(c1ccc(NCC2(c3ccccc3)CC2)nc1)N1CCOCC1 48231348 WTXQSVJCSVNWBD-UHFFFAOYSA-N 373.478 2.246 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@H](C)Cc2ccsc2)nn1)OCC 58264672 ZHFRCANQHZNNDO-GFCCVEGCSA-N 352.460 2.100 0 40 FEAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 12746995 JRDVDWYIXGWGOX-UHFFFAOYSA-N 354.454 2.468 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccco1 58307077 IMRTWKDYDPRLPJ-INIZCTEOSA-N 364.467 2.496 0 40 FEAB Cn1nccc1CN1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108534027 KYMSUBMXFIZDBY-UHFFFAOYSA-N 360.502 2.051 0 40 FEAB CCc1ccc(N2CN=c3s/c(=C\c4ccccc4O)c(=O)n3C2)cc1 2354091 JDCABSFGIIQTPY-WQRHYEAKSA-N 365.458 2.061 0 40 FEAB CS(=O)(=O)NCCNC(=O)c1cc2sc3ccccc3c2s1 29682573 QGMQPQIAFMVHAP-UHFFFAOYSA-N 354.478 2.395 0 40 FEAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cccs2)cc1 12876545 MPYVUKHQNLUWGN-UHFFFAOYSA-N 350.465 2.461 0 40 FEAB CC(C)[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1 12996976 MRXTZQNNSRIZHA-UYAOXDASSA-N 367.449 2.253 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2NC1=O 12921747 BHRAMUAMMAYYGK-VXGBXAGGSA-N 357.410 2.136 0 40 FEAB CC(C)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 12927370 OEAFXAATPFONQO-UHFFFAOYSA-N 353.307 2.225 0 40 FEAB COc1ccc(CCNC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)cc1 13551602 QHVCYIBWAONOOZ-NSHDSACASA-N 357.439 2.201 0 40 FEAB CCCNC(=O)CCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 84756442 ULIPVXBGPHTPKJ-SNVBAGLBSA-N 374.268 2.144 0 40 FEAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1NCCO 5279182 VUQPJOORFCUYGQ-UHFFFAOYSA-N 354.406 2.227 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1NCCO 5278568 UFXRVEANCRMQCB-CYBMUJFWSA-N 358.394 2.283 0 40 FEAB COC(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 4463295 HHEUSNFDKYYMJO-UHFFFAOYSA-N 353.374 2.215 0 40 FEAB O=C(/C=C/c1ccc(Br)o1)N1CCN(c2ncccn2)CC1 14196423 YLEYXDLGSVVXBJ-HWKANZROSA-N 363.215 2.194 0 40 FEAB CCOC(=O)c1oc2ccccc2c1CN(C)[C@@H]1CCS(=O)(=O)C1 14114229 JJZNAVDRXCPFBP-GFCCVEGCSA-N 351.424 2.228 0 40 FEAB CCN(Cc1cc(=O)n2ccsc2n1)Cc1nc(O)c2ccccc2n1 6472862 GAPZEUGGJUYNNV-UHFFFAOYSA-N 367.434 2.427 0 40 FEAB CN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6603034 JWMYKJFTKMYYEO-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)OCCOc2ccccc2F)no1 5786723 DRKJEYUGHXSEFK-UHFFFAOYSA-N 368.386 2.416 0 40 FEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1=O 15842888 ANASSMOPJNJQBG-NSHDSACASA-N 362.382 2.391 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCc3ccccc31)C2=O 9691521 CRZAEWAWUAMJJY-WGAFOPHPSA-N 355.438 2.291 0 40 FEAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 74816485 ZCTNZRHSQQQRJV-GOSISDBHSA-N 367.449 2.467 0 40 FEAB Cn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 8981023 QRJGEEMUVBRPEC-UHFFFAOYSA-N 370.434 2.151 0 40 FEAB Cc1cc(N[C@H](C)CCN2CCCC2=O)n2nc(C(F)(F)F)nc2n1 84109880 MMATZQIHCYLWRF-SECBINFHSA-N 356.352 2.264 0 40 FEAB COC(=O)c1cccc2[nH]/c(=N\C(=O)c3ccc(OC)c(OC)c3)[nH]c12 89459839 SPSGADZPJZQFKY-UHFFFAOYSA-N 355.350 2.041 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(-c3cnn(C)c3)no2)C1=O 545971894 UNRNAWVMZSCOPA-LJQANCHMSA-N 365.393 2.432 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24092848 IIMUQNVRJBHCOD-DNVCBOLYSA-N 366.433 2.450 0 40 FEAB COCCN1CC[C@@]2(CN(CC3CC3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306124971 CDMGYGXZHAUYNB-PXNSSMCTSA-N 360.502 2.138 0 40 FEAB O=C(NC1CCN(c2nccs2)CC1)N1CC[C@@]2(CCCOC2)C1 503905993 DQRZNSCPRYKKCK-KRWDZBQOSA-N 350.488 2.324 0 40 FEAB CCOCC(=O)N1Cc2cn(Cc3cccnc3)nc2-c2ccn(C)c2C1 306123505 AOZKJUQHQZBEEC-UHFFFAOYSA-N 365.437 2.211 0 40 FEAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 74394887 JAFIMHFTDAJVDF-HNNXBMFYSA-N 359.513 2.281 0 40 FEAB O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)NC2CC2)o1 32833165 RYMZGOARSWGWMI-UHFFFAOYSA-N 354.815 2.304 0 40 FEAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327393 CHRUSLUFJDYGSM-UONOGXRCSA-N 364.405 2.231 0 40 FEAB COc1cccc2cc(C(=O)N3CCN(CCn4cccn4)CC3)oc12 62021952 VSLSESCRDDSVBG-UHFFFAOYSA-N 354.410 2.096 0 40 FEAB COCCC(=O)N1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 72384799 OOZVKDVZBDEXEW-AWEZNQCLSA-N 356.430 2.327 0 40 FEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1 78403703 NLUGJZDPMKAGSL-UHFFFAOYSA-N 373.478 2.174 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c2ncccc2c1 573076349 NZLDKARLHAXRBJ-MRXNPFEDSA-N 366.425 2.496 0 40 FEAB CN(C(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(F)cc1 225975617 XUEQEDVKZRQUHG-UHFFFAOYSA-N 350.415 2.427 0 40 FEAB O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)N1CC[C@@]2(CCNC2)C1 578966798 HVBKJWQLIWSTMW-LJQANCHMSA-N 363.425 2.033 0 40 FEAB O=C(c1ccc(F)cc1)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 96159484 WDAWZJGQGJPUNP-HXUWFJFHSA-N 353.397 2.486 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(Cc3cccnc3)C2)C1 96226121 ZKEIIVJXBQLPFI-IBGZPJMESA-N 351.410 2.145 0 40 FEAB COc1cccc([C@H]2c3ccccc3CCN2CC(=O)N2CCNC2=O)c1 141524734 ALYCYYUHFCYYTH-FQEVSTJZSA-N 365.433 2.195 0 40 FEAB COc1cccc(C(=O)N2C[C@@H](C(=O)N3CCCC3)C3(CCOCC3)C2)c1 96240918 YQHIPCKTQMQZMW-SFHVURJKSA-N 372.465 2.186 0 40 FEAB Cc1c(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cccc1N(C)C 585139747 PSQMCJHCKKYPJI-WBVHZDCISA-N 359.474 2.469 0 40 FEAB Cc1cc(CC[C@H]2CN(C(=O)CCOc3ccccc3)CCO2)ncn1 257215438 CQCNKZZWBDGEKD-IBGZPJMESA-N 355.438 2.414 0 40 FEAB COc1ncccc1C(=O)N1CCC(c2ccnc3cc(C)nn23)CC1 257328959 XHTWBICSGKPRMR-UHFFFAOYSA-N 351.410 2.461 0 40 FEAB Cc1cnn(C[C@H]2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)CCO2)c1 270678168 RLFXHIASPGUARJ-RTBURBONSA-N 355.438 2.237 0 40 FEAB Cc1cc(OCC(=O)N[C@@H](CO)C(C)C)c2c3c(c(=O)oc2c1)CCC3 606440452 ONROTPUKAZGEPB-HNNXBMFYSA-N 359.422 2.102 0 40 FEAB biogenic CC(C)(C)N1C[C@@H](CNC(=O)c2cc(-c3cccc(O)c3)on2)CC1=O 636227434 UVEZKQHLCUHIJE-GFCCVEGCSA-N 357.410 2.424 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1=O 585106642 DFBMMWKDNNIINO-UZLBHIALSA-N 353.397 2.309 0 40 FEAB C[C@@H](c1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 882811558 ZDTDFWUMYJFBCT-KRWDZBQOSA-N 353.470 2.196 0 40 FEAB CCNC(=O)N1CCN(c2ncnc(-c3ccc(OC)cc3)c2F)CC1 1776001763 KGYPUYZETSIRKW-UHFFFAOYSA-N 359.405 2.143 0 40 FEAB Cc1nnc([C@@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)o1 750044770 DMPSDMPYLQIYDA-SECBINFHSA-N 353.308 2.219 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1cccs1 5786702 XYYCACUKLGWVKW-UHFFFAOYSA-N 364.398 2.070 0 40 FEAB O=C1c2cccc3cccc(c23)C(=O)N1n1c(-c2ccccc2)n[nH]c1=O 5948114 RPBSUVXUGBKNNH-UHFFFAOYSA-N 356.341 2.324 0 40 FEAB CO[C@H]1CCC[C@@H](C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)C1 12145746 ODNHUVFKCHYSOM-CABCVRRESA-N 357.454 2.366 0 40 FEAB CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 13585071 CRGDNVWEWOLGTA-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB NC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15013435 KZIKIKCDMDDKGW-OVCLIPMQSA-N 371.780 2.301 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 17075894 VCJCQZXLKHQWJE-JFRXWTBNSA-N 370.449 2.285 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)CCCNC(=O)c1ccco1 17902372 VLRFOSKSSVIBTI-UHFFFAOYSA-N 357.410 2.107 0 40 FEAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)Cn3cncn3)C2)c2sccn12 19240725 VZFYAWDPJGQWDT-TZMCWYRMSA-N 358.471 2.338 0 40 FEAB CCN(CC)C(=O)CN1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 19705735 SKMDIDUPLRDNKG-UHFFFAOYSA-N 359.518 2.215 0 40 FEAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2snnc2C)C1 19712294 QEJPKNPVWFIWRX-DOMZBBRYSA-N 360.439 2.455 0 40 FEAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2c(cnn2C)c1=O 19716264 YJXYNQILWUIYSW-MRXNPFEDSA-N 371.416 2.269 0 40 FEAB COc1ccccc1OCC(=O)NCC1CCN(C2CCOCC2)CC1 225563017 JSOCOUHZAVYUJF-UHFFFAOYSA-N 362.470 2.081 0 40 FEAB CSc1nc(C2CCC2)cc(N2CCN(Cc3nnc(C)o3)CC2)n1 1888864224 UWBGBRGIHZVWMP-UHFFFAOYSA-N 360.487 2.480 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccnc(O)c2)C3)nc1 1888866471 OTYGSRQUJYJRNG-BEFAXECRSA-N 354.410 2.207 0 40 FEAB Cc1cccc(CN2CCC[C@]23CCN(C(=O)CCc2cncnc2)C3)n1 1614932069 JDLAIAKGOXEVQL-OAQYLSRUSA-N 365.481 2.380 0 40 FEAB Cc1cccnc1NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4272702 OTMVEMSUGGSLCJ-CYBMUJFWSA-N 368.393 2.088 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)on1 2055806607 XHVCASVOPSCGTO-CQSZACIVSA-N 373.409 2.169 0 40 FEAB Cn1ccnc1-c1cc2nc3c(c(NCCc4c[nH]cn4)n2n1)CCCC3 12087653 YLHVOCBFYBMSMO-UHFFFAOYSA-N 362.441 2.386 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 19572968 YUAQQNHDHZQIGH-MAUKXSAKSA-N 368.485 2.250 0 40 FEAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1 70636530 RMSRUYNFKSOZJB-MRXNPFEDSA-N 352.312 2.191 0 40 FEAB O=C(CNC(=O)C1CCCCC1)NCc1ccc(N2CCCC2=O)cc1 10455722 TYPSUINDRDBUBQ-UHFFFAOYSA-N 357.454 2.126 0 40 FEAB O=C(Nc1nncs1)c1cn(-c2ccc(Br)cc2)nn1 40082220 IAODCXDUOWRUFQ-UHFFFAOYSA-N 351.189 2.134 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2Cl)C[C@@H](C)O1 40039937 JNIIGSGXVCZLTI-BETUJISGSA-N 362.879 2.005 0 40 FEAB CCc1[nH]c(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)c(C)c1C(=O)OC 31298987 FOEYSQAIZGPPKD-AWEZNQCLSA-N 366.364 2.414 0 40 FEAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCCN(c2ncccn2)CC1 20739558 WCIGVTLBUGLGJE-QGZVFWFLSA-N 369.400 2.435 0 40 FEAB COc1ccccc1[C@H](C)NCCOc1ccc(S(N)(=O)=O)cc1 32850949 VYZDSTIFLMRPPE-ZDUSSCGKSA-N 350.440 2.072 0 40 FEAB CC(=O)c1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)n(C)c1 21741388 OHTBUBPKICWGFV-UHFFFAOYSA-N 359.769 2.246 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 41815521 AOAVROFOBWFLPK-GFCCVEGCSA-N 359.407 2.158 0 40 FEAB COc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c(OC)c1 665658 ONXBIKKOLMKPLW-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB COCCN(C(=O)/C=C/c1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 2887054 AOACCKPEUAPHQK-AHKGRUIUSA-N 365.495 2.485 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1 789556 RTRPRTKUPFKKAD-UHFFFAOYSA-N 350.484 2.455 0 40 FEAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccc2c(c1)OCO2 23389522 RBARIQHSLZQDSR-UHFFFAOYSA-N 374.780 2.111 0 40 FEAB CCn1nnnc1SCC(=O)Nc1nc2ccc(OC)cc2s1 1357434 HEYURGPYNWALKT-UHFFFAOYSA-N 350.429 2.042 0 40 FEAB COc1ccnc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)n1 24209261 FNJKWBJBPZFEBQ-UHFFFAOYSA-N 364.352 2.049 0 40 FEAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1 6629656 MNUUABJLBYVJAE-UHFFFAOYSA-N 361.467 2.019 0 40 FEAB O=C(OCc1nc(-c2cccs2)no1)c1ccc(-n2cnnn2)cc1 7294047 JTRFXSGHBUTJAB-UHFFFAOYSA-N 354.351 2.131 0 40 FEAB CCc1c(C(=O)N2CCN(C(C)=O)CC2)cnn1-c1cccc(Cl)c1 24488074 ARPJIGZZDMSPOG-UHFFFAOYSA-N 360.845 2.392 0 40 FEAB COc1ccc(CN(C)[C@H](C(=O)NC(N)=O)c2ccccc2)cc1OC 24810444 BDJPVBGWYLNAMO-KRWDZBQOSA-N 357.410 2.072 0 40 FEAB CN(CC(=O)N1CCC(c2ccccc2)=N1)S(=O)(=O)c1cccs1 25005953 HATNQSXFEWOMHZ-UHFFFAOYSA-N 363.464 2.005 0 40 FEAB O=C(NCc1cccc(OCCN2CCOCC2)c1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 107362450 WEYYNVVNEUZQPF-RAUXBKROSA-N 370.493 2.306 0 40 FEAB COC(=O)N1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 57447118 UMTBNOMHJUKURH-UHFFFAOYSA-N 358.438 2.485 0 40 FEAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCC[C@H](C(F)(F)F)C3)oc(C)c12 57858317 WACYKTWBQWXEEY-JTQLQIEISA-N 372.347 2.346 0 40 FEAB COc1ccc(NC(=O)C[C@H]2C(=O)OC[C@@H]3CCCCN32)cc1Cl 58160201 IYARUZFATOFYOK-JSGCOSHPSA-N 352.818 2.457 0 40 FEAB CCCCN1CCCC[C@H]1CNC(=O)C1CCN(c2ncccn2)CC1 58148428 PJLJGUPLEMXCHI-SFHVURJKSA-N 359.518 2.464 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 58209488 ZDBGRXIFPDGHQP-UHFFFAOYSA-N 373.420 2.272 0 40 FEAB COc1cccc2c(=O)c(C(=O)N3CCN(c4ccccc4)CC3)c[nH]c12 44901740 UTTLQITUUWEDEG-UHFFFAOYSA-N 363.417 2.499 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 20245706 MFOQMUKUPSEJRZ-UHFFFAOYSA-N 369.393 2.460 0 40 FEAB Cc1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1CC(=O)O 20156506 VPOQUYFNSZYDKT-UHFFFAOYSA-N 352.346 2.254 0 40 FEAB CC(C)Cn1c(S[C@H](C)C(=O)NC(C)(C)C)nnc1N1CCOCC1 21621429 UAEBVKYOWAZECS-CYBMUJFWSA-N 369.535 2.166 0 40 FEAB CCN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1C 22063425 GMMWURBAUMXGAA-IBGZPJMESA-N 351.450 2.260 0 40 FEAB O=C1[C@H]2Cc3ccccc3CN2C(=S)N1Cc1ccc2c(c1)OCO2 3357703 OVSLYUIQINKFPD-OAHLLOKOSA-N 352.415 2.469 0 40 FEAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 56290844 BVBHCAKCCOANIY-UHFFFAOYSA-N 353.422 2.335 0 40 FEAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 2402770 JDRAQFXCNZIIPO-CMJVQNDMSA-N 357.406 2.101 0 40 FEAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2C(=O)Cc2nonc2C)c1 100112233 KCEOYCYUDAUBKF-HBUWYVDXSA-N 357.410 2.388 0 40 FEAB Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 29668991 JNFPDXIQEOWOPL-UHFFFAOYSA-N 366.417 2.251 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314919 KGJQGHWKCZXIDA-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB CCOC(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 10454438 PQDKSPSIYZRHQK-UHFFFAOYSA-N 373.453 2.298 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3461903 YOHFOZRTCQAIFU-HXUWFJFHSA-N 369.396 2.299 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(Cl)cc2O)C1 3443257 FTGIHKSKWYFHDE-NSHDSACASA-N 369.801 2.004 0 40 FEAB COc1ccccc1CCNC(=O)CCc1c(C)nn2cnnc2c1C 71286593 LZVHKRVJXAYCQW-UHFFFAOYSA-N 353.426 2.041 0 40 FEAB COc1cccc(-c2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)c1 13729490 CRUHALVRIGGHSS-UHFFFAOYSA-N 359.451 2.085 0 40 FEAB CN1CC(=O)N(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1=O 39985647 UVZBREDOKIMCJQ-AWEZNQCLSA-N 356.378 2.113 0 40 FEAB CC[C@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 22373659 FYSUAMOKQPTVBL-AWEZNQCLSA-N 374.510 2.469 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(F)cc1 14136352 VGVBVPXEFMXDDX-LJQANCHMSA-N 353.353 2.373 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccccn1 6510226 YQNVQOKDHDQISE-UHFFFAOYSA-N 368.437 2.007 0 40 FEAB COc1cc(NC(=O)COc2ccc3c(c2)OCO3)cc(OC)c1OC 14738246 VLEUCDWURBJMPG-UHFFFAOYSA-N 361.350 2.459 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 15617031 CTLNDVREWVUUQM-GOSISDBHSA-N 354.406 2.222 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC=CCC1 7758909 MKGJKIBQZTZUGA-AWEZNQCLSA-N 350.440 2.002 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OC[C@@H]2CCCO2)CC1 81655126 BRRADQSTQSMPGD-ZDUSSCGKSA-N 361.364 2.089 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC(C)CC1 8262817 MCFOZHIHXGKUOO-HNNXBMFYSA-N 367.515 2.304 0 40 FEAB Cc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccco2)c1 8394631 KOFAYEYTSGGQQM-UHFFFAOYSA-N 362.451 2.401 0 40 FEAB Cc1nc(CC(=O)NCCCn2c(=O)c(C)nc3ccccc32)cs1 95456642 NMJJCAFFKQHQEO-UHFFFAOYSA-N 356.451 2.219 0 40 FEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccco1 22227040 OIKFCIJUNYCFRN-UHFFFAOYSA-N 362.451 2.427 0 40 FEAB Cc1cc(C(F)(F)F)nc(NC[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 514725567 OIKWFEDBSMEJGS-SNVBAGLBSA-N 373.356 2.451 0 40 FEAB COc1cc2c(cc1OC)CCN(C[C@H](O)COCc1ccco1)CC2 516745360 FDIFIICWXDKFPC-KRWDZBQOSA-N 361.438 2.275 0 40 FEAB Cc1nc2ccccn2c1C(=O)NC[C@H](c1ccco1)N1CCOCC1 38630266 FQNXMKVZMUJDBV-OAHLLOKOSA-N 354.410 2.039 0 40 FEAB CCC[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)O 35686283 XVENMZYTNOZWKE-AWEZNQCLSA-N 361.394 2.412 0 40 FEAB COc1ccc(OC)c([C@@H](C)Nc2nc3c(C)nn(C)c3c(=O)n2C)c1 32651634 WBHHGMHBWKSZEO-SNVBAGLBSA-N 357.414 2.166 0 40 FEAB Cc1occc1C(=O)NC1CCN(c2nccc3c(O)ncnc23)CC1 569238858 RFCGEQSAIBRNKY-UHFFFAOYSA-N 353.382 2.031 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N[C@H]3CCCC[C@H]3C)nc12 72347031 GHPMUUQHIILPTR-KGLIPLIRSA-N 355.442 2.166 0 40 FEAB O=C(CSc1cn[nH]n1)Nc1ccc(I)cc1 32691905 VZMAGSKXZALDIR-UHFFFAOYSA-N 360.180 2.140 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCC[C@@H](CC(=O)O)C1 562922203 GAWFVUYWILCUBW-LBPRGKRZSA-N 361.364 2.318 0 40 FEAB CCc1nsc(N2CCCN(C(=O)c3cn4ccccc4n3)CC2)n1 75390972 YBALYNCUEBTJNJ-UHFFFAOYSA-N 356.455 2.101 0 40 FEAB O=C(NCCc1ccccc1)NCC1CCN(C(=O)c2ccncc2)CC1 70926301 DGHCRFPJFMQZKY-UHFFFAOYSA-N 366.465 2.476 0 40 FEAB CCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 224100645 ACUPKKUILNPECQ-UHFFFAOYSA-N 354.457 2.177 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 46063198 TVEPOLWCTGHBLN-RBSFLKMASA-N 363.458 2.483 0 40 FEAB COC(=O)Cc1nn(CC(=O)Nc2ccccc2C)c(=O)c2ccccc12 41107421 ZCZRDJSWGGTRQM-UHFFFAOYSA-N 365.389 2.059 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1F 223145054 QMUPMCKOZPAVTC-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1ccccc1Cl 49408768 CFSDKGZCDWFAEO-UHFFFAOYSA-N 352.843 2.335 0 40 FEAB Cc1ccc(CN2CC[C@H]3[C@H](CC(=O)N4CCCO4)OC[C@H]3C2)s1 96207036 ATDQCFVPXCHIPS-OIISXLGYSA-N 350.484 2.447 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](C2CCOCC2)C1 579721711 BMONNEOLOQLPMS-KBXCAEBGSA-N 360.454 2.138 0 40 FEAB O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(Cc3cccnc3)C2)C1 96226074 JQVRBDDKFUQTRW-FQEVSTJZSA-N 368.412 2.258 0 40 FEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2 96045010 XZLYKXLXLXHHLK-KRWDZBQOSA-N 359.470 2.255 0 40 FEAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2ccccc2F)C3)n1 96111016 BCLNAZIBFZDOAA-KUHUBIRLSA-N 357.385 2.092 0 40 FEAB O=C(Cc1cccs1)N1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96110926 UDXIAZLTDAXWMG-FUHWJXTLSA-N 357.479 2.045 0 40 FEAB O=C([C@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1)N1CCOCC1 623829878 XDAOCOUYOCHTQZ-ZDUSSCGKSA-N 360.845 2.358 0 40 FEAB NC(=O)c1cc(O[C@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)ccn1 245015168 LOVOKTAHHTVBHE-HNNXBMFYSA-N 362.389 2.022 0 40 FEAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCCc1cccs1 247886071 XBOJLUHWESGVDX-KRWDZBQOSA-N 374.510 2.229 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cc[nH]n2)CCO1 257217709 DAGUJCXAQMOWLV-AWEZNQCLSA-N 371.466 2.295 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 257326164 WWBNZHUCRAZFPA-GOSISDBHSA-N 355.442 2.220 0 40 FEAB Cc1nccc(N2CCC[C@@H](c3cccc(C(=O)N4CCOCC4)n3)C2)n1 257323847 WMBFIPAQTPATCK-MRXNPFEDSA-N 367.453 2.036 0 40 FEAB CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 257250862 JOIVROSSBMILLQ-AWEZNQCLSA-N 352.504 2.435 0 40 FEAB CC(=O)NCC(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257215184 CPBYJLUOXXDBMW-LFEHRJTNSA-N 358.438 2.041 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CCCC1 257288867 PWAJJQKNLAPVGS-MRXNPFEDSA-N 370.497 2.421 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1)C2 630658729 OMTFYRDDOYHBDC-ZWKOTPCHSA-N 358.438 2.050 0 40 FEAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 648119359 LFYHXJIAWSFFHS-JTQLQIEISA-N 373.356 2.087 0 40 FEAB CN1C(=O)C[C@@H](CNc2ncnc3ccc(F)cc23)[C@@H]1c1nccn1C 671468931 WCAUYLQZVDLHKL-MEDUHNTESA-N 354.389 2.134 0 40 FEAB CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccnn3C(C)C)C2)no1 675833906 WALTUGBAJQRWSS-CQSZACIVSA-N 360.462 2.317 0 40 FEAB CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](N3CCc4ccccc4CC3)C2)[C@H]1C(C)C 1775956866 XMMLRSAECHCBGQ-GXRSIYKFSA-N 356.510 2.484 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccsc3)cc2C1 656877853 WYIZDUKASIIDEK-UHFFFAOYSA-N 356.494 2.193 0 40 FEAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)c1 585276205 DRFFGPYUMOTAGS-FQEVSTJZSA-N 355.438 2.042 0 40 FEAB CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc34)C2)[C@H]1C(C)C 685941601 FSUXYGXJTFXTPF-CIWUYKSXSA-N 356.470 2.163 0 40 FEAB Cn1ccc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)n1 1776000999 TYDLBJIINJKIIM-UHFFFAOYSA-N 355.442 2.409 0 40 FEAB COc1ccc2c(c1)CN(S(=O)(=O)c1csc(C(=O)O)c1)CC2 552183265 NSQAFOXRCKQJEN-UHFFFAOYSA-N 353.421 2.202 0 40 FEAB O=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N1CCOCC1 5770800 IYZZBUSOUWXFCM-UHFFFAOYSA-N 351.617 2.468 0 40 FEAB CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 12291414 DSKBJTGIUKSWGY-GOSISDBHSA-N 352.500 2.164 0 40 FEAB O=C(Cc1ccsc1)N1CCC(n2nnc3ccccc3c2=O)CC1 13267486 KXMHPVHAXNUJCH-UHFFFAOYSA-N 354.435 2.259 0 40 FEAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)C3CCCC3)c3ncccc23)C1 19016468 LOUREFRSMBUBDX-INIZCTEOSA-N 369.469 2.074 0 40 FEAB COc1cccc(OC[C@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)c1 19658870 HIGMRHBTXGRHTB-HNNXBMFYSA-N 358.442 2.158 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3ccc(F)cc3)n2CC1 19710715 OALOIKZUUIWMBI-QGZVFWFLSA-N 357.433 2.159 0 40 FEAB Cc1noc(CCC(=O)Nc2ccc(C(N)=O)c(N3CCC(C)CC3)c2)n1 19719228 VNHLZQRMIJNOLP-UHFFFAOYSA-N 371.441 2.285 0 40 FEAB CSc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC1(C2)CN(C)C(=O)CO1 1888863536 MJQQVDCBVQHNCP-KBPBESRZSA-N 360.479 2.403 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)nc1 1889148747 VJPBMGUHUQFTIW-HNNXBMFYSA-N 368.437 2.297 0 40 FEAB CCCc1noc(CCCC(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)n1 50175705 NHLGLRPPWIJXPX-UHFFFAOYSA-N 355.398 2.463 0 40 FEAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565544070 CSSPFDCJMXTLQX-UHFFFAOYSA-N 368.372 2.044 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3015965 XXIKOUUVUIPTFU-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB COC(=O)c1ccc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 244969109 GYTHXZVJMOOQAR-KRWDZBQOSA-N 350.378 2.236 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C)o1 49026926 HHFOAUZIOITGSU-GFCCVEGCSA-N 352.774 2.038 0 40 FEAB O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31216936 QWBGOTAPPSJWMT-CQSZACIVSA-N 373.840 2.279 0 40 FEAB Cn1c(SCCn2nc3ccccn3c2=O)nnc1-c1ccc(F)cc1 31842578 OGKMHEUXAMONKC-UHFFFAOYSA-N 370.413 2.223 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)c1 32873960 YKEVRZIZLWDTID-CYBMUJFWSA-N 364.427 2.404 0 40 FEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N(C)C)nc1 22420639 MVYKBBAAVHDCJU-ZDUSSCGKSA-N 362.455 2.231 0 40 FEAB C[C@@]1(NC(=O)Cc2csc(-c3cccs3)n2)CCS(=O)(=O)C1 22550313 GTIRCCGTCYTKSX-CQSZACIVSA-N 356.494 2.108 0 40 FEAB CN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nn2cnnc2)n1 779831 GMPPQIKCYQJUMP-UHFFFAOYSA-N 366.216 2.455 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)c2cc(F)ccc2F)cc1 23232465 IRTRJJWLHZJCTA-UHFFFAOYSA-N 369.345 2.376 0 40 FEAB COc1cc(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)on1 79490124 ZECTWMXBMNVXRM-UHFFFAOYSA-N 354.366 2.219 0 40 FEAB CCn1nnc2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)ccc21 23656406 IPILBRDCOWQRSW-IBGZPJMESA-N 367.453 2.493 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccc3ncccc3c2)NC(=O)N[C@]1(O)C(F)(F)F 4057004 JLCFJNZTUINILZ-UMVBOHGHSA-N 353.300 2.045 0 40 FEAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@H]1C(=O)O 4085476 ADLQHGOSJQKJRI-WOSRLPQWSA-N 360.435 2.111 0 40 FEAB biogenic Cc1ccc(OCc2csc3nc4c(c(=O)n(C)c(=O)n4C)n23)cc1C 4629735 VFABVQKHSWGLBN-UHFFFAOYSA-N 370.434 2.142 0 40 FEAB Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1 4910266 IYYCOONXZSEDTI-UHFFFAOYSA-N 368.485 2.491 0 40 FEAB O=C(COC(=O)CCc1ccccc1)NCC(=O)Nc1ccc(F)cc1 6375791 ZYEOBZMGTGEHAJ-UHFFFAOYSA-N 358.369 2.056 0 40 FEAB CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(C)ccc1OC 6416013 XOUKFIGTRBXSQR-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB COc1ccccc1Nc1nc(N)nc(N)c1S(=O)(=O)c1ccccc1 6677876 QBSJZQCEPVPFAX-UHFFFAOYSA-N 371.422 2.226 0 40 FEAB aggregator C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3nncs3)c2)C1 6680870 TVSGTILKAMBYKU-SECBINFHSA-N 372.497 2.273 0 40 FEAB CN(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 106911972 LDQSHDJGXAFOHV-HXUWFJFHSA-N 371.525 2.410 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cc(Cl)ccc1F 35286663 PCUAJUMRNQJVCB-MRXNPFEDSA-N 361.804 2.330 0 40 FEAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)cc1S(N)(=O)=O 9499164 LZHAUGHPFBCKLY-GFCCVEGCSA-N 367.496 2.335 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(CO)cc2)c1C 3280084 BROGOWOIOXNQAJ-UHFFFAOYSA-N 359.378 2.340 0 40 FEAB O=C(NCc1ccc(OCC2CC2)nc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 58185042 IJCQRAAVSMORTL-MRXNPFEDSA-N 369.421 2.128 0 40 FEAB Cc1cccc(OCC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 58200872 XPCJORAZUNTSRQ-IBGZPJMESA-N 367.449 2.462 0 40 FEAB CNS(=O)(=O)Cc1cccc(CNC(=O)N[C@@H](C)c2ccccc2)c1 58203198 QCNLJQORHNJTPX-AWEZNQCLSA-N 361.467 2.296 0 40 FEAB Cn1cc(CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)cn1 27912290 RGVMVEDHCAXLLE-UHFFFAOYSA-N 362.183 2.219 0 40 FEAB Oc1cc(CCc2cccc(Cl)c2)nc2c(CN3CCNCC3)cnn12 100668217 VBTXLUBEGHMTMO-UHFFFAOYSA-N 371.872 2.279 0 40 FEAB CNC(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1 36652391 IUMDYLXVLGTUSO-UHFFFAOYSA-N 353.378 2.373 0 40 FEAB Cc1nn(C(C)C)c(C)c1NC(=O)Cn1c(C)nc2ccc(O)cc2c1=O 72405058 ZSZHWYXVGKCKRS-UHFFFAOYSA-N 369.425 2.443 0 40 FEAB Cc1noc(C)c1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 29933885 VOUQVZPERNCSKG-UHFFFAOYSA-N 367.446 2.373 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)n(C)n1 29990995 MRZXCZWITCHZHG-UHFFFAOYSA-N 357.443 2.052 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12810997 MSWLVIWHIOVPRV-AWEZNQCLSA-N 358.417 2.379 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 3400502 OMKZRULJDJXNDB-UHFFFAOYSA-N 356.378 2.319 0 40 FEAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)c1nc(N)nc(N(C)C)n1 12917868 VEISBRDTESEYTE-VIFPVBQESA-N 369.454 2.020 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3c3noc(C)n3)[nH]n2)cc1 96000920 CBDMJCKAVIQWEP-INIZCTEOSA-N 353.382 2.290 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4082239 MDFGDESDVKWBNI-MIHTYCSTSA-N 350.440 2.188 0 40 FEAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9364087 QEIVHGJESYYXHS-MFKMUULPSA-N 350.440 2.437 0 40 FEAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccccc1-c1ccccc1 4334310 NAZLIQCXDGXLKO-CYBMUJFWSA-N 365.389 2.490 0 40 FEAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(Cl)nc1)CC2 5322314 QDALNUTYALLSJM-UHFFFAOYSA-N 368.842 2.499 0 40 FEAB COc1cc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)ccc1O 5682075 PLUBBLAPBRMNRM-AWEZNQCLSA-N 367.409 2.496 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2c(c1)CCC2 14804296 ZYXUFSKSYADQRC-UHFFFAOYSA-N 358.463 2.356 0 40 FEAB C[C@@H](OC(=O)Cc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026050 JPDGRRLIPHXDSF-LLVKDONJSA-N 367.448 2.477 0 40 FEAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 9547881 DZSCLCSLWPYHEE-BBRMVZONSA-N 352.346 2.155 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nc(N)c2ccccc2n1 18263125 BSJQZTMGWLITHM-UHFFFAOYSA-N 371.418 2.281 0 40 FEAB CN(C)CCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707912 SPLKNOHEPQQCMW-UHFFFAOYSA-N 353.466 2.003 0 40 FEAB CCOc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1I 409190028 UVAIBMCFNZQHPI-JXMROGBWSA-N 372.162 2.212 0 40 FEAB Cc1noc(C)c1CN1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 306140553 UXEHFOPWZJWZAO-INIZCTEOSA-N 362.474 2.078 0 40 FEAB COC(=O)c1nn(CC(=O)NCCOc2ccccc2)c2ccccc12 30952810 NBNSXDVGBZOANS-UHFFFAOYSA-N 353.378 2.018 0 40 FEAB CC(=O)N1CC[C@@](C)(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 520301796 OXYKRHBGBLBFCY-HXUWFJFHSA-N 358.486 2.184 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832320 MCDPGRCGVHSCPX-IINYFYTJSA-N 360.863 2.172 0 40 FEAB COCCNc1c(-c2cc(OC)c(OC)cc2OC)nc2cnccn12 72341944 IGDCQODALUNROU-UHFFFAOYSA-N 358.398 2.480 0 40 FEAB Fc1ccccc1N1CCN(Cc2nnnn2Cc2cccs2)CC1 35291367 FFOIWOFTTHRCKM-UHFFFAOYSA-N 358.446 2.244 0 40 FEAB COc1ccc(S(=O)(=O)CCNC(=O)c2cn(C)c3ccccc23)cc1 79480527 MRJLOKYYQBIGFZ-UHFFFAOYSA-N 372.446 2.391 0 40 FEAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)c1 72358876 FNFAAUIDPJOOES-MRXNPFEDSA-N 354.454 2.420 0 40 FEAB CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(=O)C(C)C 223604860 QGINHUSEEQFDQI-GFCCVEGCSA-N 372.512 2.460 0 40 FEAB COc1cccc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 48400551 NLRAYSFLJNVQTI-CYBMUJFWSA-N 363.435 2.355 0 40 FEAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc3c(c1)OCO3)C2 225494512 GMFITVQDAPQHPH-KRWDZBQOSA-N 355.438 2.322 0 40 FEAB biogenic,in-vitro OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223563964 LEDMFKNZNVBKGP-QZTJIDSGSA-N 365.462 2.232 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)NCc2ccccc2)Oc2ccccc21 225478971 MPDQJWPYJCWDDD-RDJZCZTQSA-N 351.406 2.395 0 40 FEAB biogenic,in-vitro CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1 223374379 MOBBQQFFJOHRIU-UHFFFAOYSA-N 364.492 2.345 0 40 FEAB O=C(C1CCC1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244298 YLYLHYVDOPHZFX-HXUWFJFHSA-N 350.422 2.339 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 97756340 JZAXMDDOPNOSPW-HNNXBMFYSA-N 359.422 2.464 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96078630 HFCXGEUYWWIDEI-LJQANCHMSA-N 370.493 2.319 0 40 FEAB O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109013 ZYTGQSCZVQSBJV-APWZRJJASA-N 358.463 2.377 0 40 FEAB Cc1ccc2c(c1)nc1n2[C@@H](CNS(=O)(=O)c2ccccc2)COC1 96112538 QDPUJMONGRRFHV-AWEZNQCLSA-N 357.435 2.395 0 40 FEAB biogenic,in-vitro O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)N[C@@H]1CCNC12CCC2 529303739 BSZRNTWVRWMECT-CZUORRHYSA-N 350.413 2.127 0 40 FEAB CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccnc2)[C@@H](C(=O)O)C1 248016331 DBLZPJOSUOOSKB-ZWKOTPCHSA-N 353.422 2.271 0 40 FEAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 252515217 HWYPYRVZECPIFU-MCIONIFRSA-N 362.289 2.084 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1OC 260905604 RANLTFDURQKLEX-QWHCGFSZSA-N 372.487 2.019 0 40 FEAB Cc1cc(Cl)cc(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 275553551 GCLSFNWNDWUNQA-OAHLLOKOSA-N 360.845 2.141 0 40 FEAB O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1 618103838 HPIBHVVWOPGKBD-IRXDYDNUSA-N 365.433 2.412 0 40 FEAB COc1cc(C)ccc1NC(=O)N1CCC(N2CCCS2(=O)=O)CC1 668454235 UCUAHPRCYRPZDG-UHFFFAOYSA-N 367.471 2.035 0 40 FEAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)CCOc3ccccc3C)C2)n1 1775958304 PQPWCTPSODORKQ-ARFHVFGLSA-N 359.426 2.126 0 40 FEAB CCc1ccsc1C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 60336079 JZTQBOHNBLHUAQ-UHFFFAOYSA-N 350.465 2.422 0 40 FEAB C[C](Cn1cnc2c(N)ncnc21)OC[P@](=O)(O)Oc1ccccc1 1560407686 RIGWJABMZRNOLJ-UHFFFAOYSA-N 362.306 2.199 0 40 FEAB Cc1cc(=O)oc2ccn(CCCc3nc(-c4cccnc4)no3)c(=O)c12 1772491308 AQKIRLVRKXPGLS-UHFFFAOYSA-N 364.361 2.341 0 40 FEAB CCc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cc3oc(C)cc3n12 12115530 UJMDHJVGPBIFIZ-UHFFFAOYSA-N 356.426 2.372 0 40 FEAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(C)nc2c(Cl)cccc12 12147270 YANAWFGVMXULSG-OAHLLOKOSA-N 372.812 2.434 0 40 FEAB CN(C)c1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cn1 12199296 VTPYQXNOHJTNHR-KRWDZBQOSA-N 357.433 2.249 0 40 FEAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)CCN2CCCCCC2)CCO1 19747619 DJXNRFUGCGCZFB-GOSISDBHSA-N 359.470 2.119 0 40 FEAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC(C)=O 5378912 IAGCDADMKDXICD-JYRVWZFOSA-N 355.302 2.475 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 3323535 JCICERLHOMSMQN-YPMHNXCESA-N 362.492 2.140 0 40 FEAB C[C@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1ccc(F)c(F)c1F 5956430 AXKMXWZCCHALPL-LLVKDONJSA-N 357.376 2.375 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(c5ncc(Cl)cn5)C[C@H]4C3)n1)CCC2 1888865644 HWRUWEKGRFRHFD-CHWSQXEVSA-N 356.861 2.290 0 40 FEAB Cc1cccc(C)c1OC[C@@H](O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 23389394 GFMXQLFUXNISAE-INIZCTEOSA-N 367.449 2.412 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037908872 CESAUGOTMCEWRV-IBGZPJMESA-N 361.417 2.017 0 40 FEAB CC(C)N1C[C@]2(CCN(C(=O)CCc3ccccc3F)C2)COCC1=O 2037985303 FDHDIIKAANZEDU-HXUWFJFHSA-N 362.445 2.244 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)CC1 1565553799 JTCCEYGEVRNFHR-WKILWMFISA-N 358.486 2.008 0 40 FEAB Cn1c(=O)oc2cc(C(=O)CSc3nnnn3-c3ccccc3)ccc21 1436623 YYHCNVPBSXLYLB-UHFFFAOYSA-N 367.390 2.082 0 40 FEAB COC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1 4348227 ZCEJMKGXKXJNSW-UHFFFAOYSA-N 353.421 2.337 0 40 FEAB COc1cccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 4569059 PKOWBNQDZINEPW-INIZCTEOSA-N 374.462 2.278 0 40 FEAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967252 JVBOKTPVFZEODW-MRXNPFEDSA-N 355.438 2.094 0 40 FEAB COCCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19593122 FKVRWAPIWOCNEA-CYBMUJFWSA-N 374.416 2.051 0 40 FEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CCCC3)C2)n(C(C)C)n1 2332241414 BJZAROKDVDVZQV-ARFHVFGLSA-N 364.490 2.309 0 40 FEAB CCOC(=O)c1ccc(OC[C@H](O)Cn2c(=O)cnc3ccccc32)cc1 31560650 TZAPBCUJGCJUPK-OAHLLOKOSA-N 368.389 2.013 0 40 FEAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCCC1 2460258 YQUMBUGGIREQKL-HNNXBMFYSA-N 364.492 2.260 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N21 4450306 BHNLYGBJMNKDTM-KSPYJRTQSA-N 353.418 2.442 0 40 FEAB COc1cc(CNn2nnnc2N)ccc1OCc1ccccc1Cl 7602418 JHWBLRBUQIQZFB-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB COc1cc(NC(=O)CC[C@H]2CCCO2)c(C(=O)N(C)C)cc1OC 25222522 DTMXOVOWVIELOL-GFCCVEGCSA-N 350.415 2.303 0 40 FEAB CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc(OC)cc2)c1C 1426692 IXDOZFQYDJLLQJ-UHFFFAOYSA-N 361.398 2.089 0 40 FEAB NC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1 56325650 UUYPTOUSGVNIBP-QGZVFWFLSA-N 372.469 2.365 0 40 FEAB O=C(COc1coc(CN2CCOCC2)cc1=O)c1ccc(Cl)cc1 72400963 CCWQTKKVHYJQNL-UHFFFAOYSA-N 363.797 2.387 0 40 FEAB CSc1nccn1-c1ccc(C(=O)NCCCCN2CCOCC2)cc1 53450558 BWCCMVPJTDTBDN-UHFFFAOYSA-N 374.510 2.436 0 40 FEAB COc1ccccc1OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 23057131 GDHVJTZPARYWSC-HNNXBMFYSA-N 367.467 2.032 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c1C 3370961 IBAVZOMHSVAXBC-MRXNPFEDSA-N 357.362 2.400 0 40 FEAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(N(C)C)cc1 100433564 NNQGVLAFGABBSC-RTBURBONSA-N 358.486 2.213 0 40 FEAB CN1CCN(CCCNS(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 36390308 ZHTWITVXWDJZMD-FQEVSTJZSA-N 373.522 2.344 0 40 FEAB CCCCNC(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12811452 XSRMNKBJYUVIMY-UHFFFAOYSA-N 361.530 2.263 0 40 FEAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 11070645 PFCCJSKWBXLXBI-SNVBAGLBSA-N 354.863 2.379 0 40 FEAB C[C@@]12CC3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)(C1)C[C@@](C)(C3)C2 100796036 RHDGCNLBBCEGNE-YCHGYYGWSA-N 354.516 2.087 0 40 FEAB Cc1cccc(N2C[C@@H](C(=O)NC3CCN(C4CC4)CC3)CC2=O)c1C 29090728 IBOGZULBINNXTO-INIZCTEOSA-N 355.482 2.399 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236396 IIVFQGGYAJBNKK-UHFFFAOYSA-N 360.385 2.093 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)cc1 2619871 WRINGRGQSNIFJF-LJQANCHMSA-N 361.442 2.058 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 3439210 LDNRXJOGWNGEMN-UHFFFAOYSA-N 364.398 2.288 0 40 FEAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O 3507227 PYBLJZBSGHOAJZ-UHFFFAOYSA-N 369.402 2.393 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12927285 OLJXSIQYTSXHOQ-GFCCVEGCSA-N 363.373 2.471 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCc1ccccc1)C2=O 13061846 GBYCIIGTLBMCSR-FOIQADDNSA-N 357.454 2.236 0 40 FEAB C[C@@H]1CC(=O)NN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 13011358 QENSFGHYFJVNLB-RHSMWYFYSA-N 351.406 2.279 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1C(=O)O)CC2 13411445 UYSSKJRDSDFXFW-UHFFFAOYSA-N 371.389 2.366 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306140187 UMLHPTXXJBOGJC-INIZCTEOSA-N 371.466 2.320 0 40 FEAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 49544591 GPYWDNZVZAHKOA-GFCCVEGCSA-N 372.406 2.451 0 40 FEAB COC(=O)c1cc(CNC(=O)Cc2ccc(OC)c(F)c2)ccc1OC 14187993 DBSRFAAKZNPTFM-UHFFFAOYSA-N 361.369 2.488 0 40 FEAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(F)cc1 9426326 UYJGXFSXIRNNRC-UHFFFAOYSA-N 369.400 2.274 0 40 FEAB Clc1ccc2nc(CSc3nnnn3C[C@@H]3CCCO3)cn2c1 7119111 JXCHHBFBHZPZKT-LBPRGKRZSA-N 350.835 2.446 0 40 FEAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 23143504 ZGQNIUCACATONT-UHFFFAOYSA-N 363.435 2.432 0 40 FEAB COc1ccc2c(CC(=O)N[C@@H](C)C(=O)NCc3ccco3)coc2c1 68018615 VSOVUINLAGIZJS-LBPRGKRZSA-N 356.378 2.398 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nncs2)c1 7779527 NEBKUXHUHFWKCE-UHFFFAOYSA-N 363.873 2.326 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C1=NN=C(NC[C@@H]2CCCO2)SC1 7849081 HVDNWZRIXGDSPG-LBPRGKRZSA-N 364.471 2.384 0 40 FEAB Cc1ccc2c(COC(=O)C[C@H]3C=CS(=O)(=O)C3)cc(=O)oc2c1C 16418277 VZRLIHPIAAAYQN-CYBMUJFWSA-N 362.403 2.401 0 40 FEAB CCNC(=O)NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 68831372 YHYSAXARCRELBN-UHFFFAOYSA-N 362.257 2.024 0 40 FEAB CC(C)N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 8272629 OGMYYHMCRBUJCW-JTQLQIEISA-N 372.206 2.487 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCc1ccc(F)cc1 17113100 VNIXOIXVDOEKBC-UHFFFAOYSA-N 354.385 2.446 0 40 FEAB CC(=O)CCCCCCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 95448451 NUMXRNLXNWTHRF-UHFFFAOYSA-N 365.518 2.073 0 40 FEAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC1(N(C)C)CCC1 97103619 QTURIFSQUVPGAY-UHFFFAOYSA-N 356.536 2.261 0 40 FEAB CCC[C@H](C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 95946560 CZCSDTSTQYVSIC-HNNXBMFYSA-N 366.421 2.155 0 40 FEAB COc1ccc(CNC(=O)COC(=O)C[C@@H]2CSCCS2)cc1 89442464 AVXFAWVGZSINEF-CQSZACIVSA-N 355.481 2.093 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)NC2CCC(N3C(=O)CCC3=O)CC2)n1 89591672 DUQBBRNSYRLTKU-FHERZECASA-N 360.458 2.027 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1C 35876740 IFJRSYFVCMLTAZ-DNVCBOLYSA-N 351.450 2.461 0 40 FEAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 21699799 MUYFTJGXZUBHQU-LLVKDONJSA-N 351.827 2.343 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCC2)cc1Cl 408553178 OSYVJXUUPINLSQ-LLVKDONJSA-N 374.890 2.464 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)C2(CO)CO)cc1 218455549 LYOPLRMOXKFYNR-SJORKVTESA-N 350.411 2.045 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21)C1CC(F)(F)C1 306141166 VMYDGVAXUBGULM-RBSFLKMASA-N 356.438 2.356 0 40 FEAB COc1nn(C)cc1C(=O)N1CC(Oc2nc3c(C)cccc3s2)C1 75166719 LURFGJSOIQYCMH-UHFFFAOYSA-N 358.423 2.250 0 40 FEAB CCc1cc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cnc2s1 39983738 GDXRONDAAYALLD-UHFFFAOYSA-N 371.418 2.430 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccc(Cl)cc1 72241396 PYDAKWOVMHPAAO-CHWSQXEVSA-N 351.815 2.334 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N1C(=O)CCC1=O 224770370 ZMTKQLFZLHPBAF-UHFFFAOYSA-N 360.391 2.149 0 40 FEAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045817 MWRHTNHWMBXRCW-HXUWFJFHSA-N 354.450 2.409 0 40 FEAB COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222772822 HLLXXBSGZUWOTA-QGZVFWFLSA-N 370.449 2.245 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(F)cc1 224188856 MBVSWIUTBWJEAV-UHFFFAOYSA-N 369.462 2.055 0 40 FEAB O=C(Nc1ccccc1)N1CCN2C(=O)N(Cc3cccnc3)C[C@H]2C1 85436063 SCFBJCLNINZKLB-QGZVFWFLSA-N 351.410 2.236 0 40 FEAB biogenic,in-vitro Cc1noc(C)c1CN1CCC[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96216094 FFYREKFTMDSDOQ-QGZVFWFLSA-N 353.488 2.072 0 40 FEAB Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)o1 96060768 ZGBSFIVDYMUAHS-HNNXBMFYSA-N 353.426 2.428 0 40 FEAB COc1ncccc1CN1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C 247843294 LPDNPAGZKUAVEG-HNNXBMFYSA-N 369.469 2.028 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)nc(C)n1 257275280 NOQZEQLYERUSGS-HNNXBMFYSA-N 359.430 2.133 0 40 FEAB Cn1cncc1-c1nccnc1C[C@H]1CCCN(C(=O)c2ccccn2)C1 257280787 OMLOWSHWQCEUPL-OAHLLOKOSA-N 362.437 2.367 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)c(C)n1 257337121 YRMILUYSKRFMDW-SFHVURJKSA-N 355.442 2.220 0 40 FEAB O=S(=O)(c1ccccc1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257255407 KHISCJHZGQXDBJ-HNNXBMFYSA-N 358.423 2.351 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2cnccn2)C1 257280466 OLABXWCVSZRZEE-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CO[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(F)c1 96388586 JMAFONZOMFXOGC-QGZVFWFLSA-N 351.399 2.427 0 40 FEAB COc1cc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1OCCN(C)C 626590671 FCHGZYDXLBDRMZ-JCKWVBRZSA-N 363.458 2.013 0 40 FEAB OC[C@H]1CCCN1Cc1cn(CCOc2cccc3ccccc23)nn1 641004137 CIUUZRUMFFZCKW-GOSISDBHSA-N 352.438 2.467 0 40 FEAB COc1ccc2c(c1)OCCN(C(=O)Cc1ccc(-n3cnnc3)cc1)C2 644716651 ZLJKDYHKGWJZBM-UHFFFAOYSA-N 364.405 2.240 0 40 FEAB CCn1cc([C@@H]2OCCC[C@H]2C(=O)Nc2nc3cccnc3n2C)cn1 665828277 HJLCGICWRWIPMB-HIFRSBDPSA-N 354.414 2.291 0 40 FEAB CC(C)(C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccn1 670413529 YIRUBSFRKULGAM-UHFFFAOYSA-N 355.413 2.483 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccccc2)[C@@H](O)C1 585283117 BZUNYAGFDUGVNO-ICSRJNTNSA-N 374.868 2.068 0 40 FEAB Cc1ncc(C(=O)N2CC(F)(F)C[C@@]3(CCN(CC(C)C)C3=O)C2)[nH]1 585093453 XMGBNFDSPOPCCM-INIZCTEOSA-N 354.401 2.074 0 40 FEAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NC1CCCCCC1 57526237 HTIMJYBJYRFPGR-UHFFFAOYSA-N 372.421 2.336 0 40 FEAB COc1ccc(C(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cc1 1549161150 DTQKALHXUJSVNJ-UHFFFAOYSA-N 352.390 2.254 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5240596 OIIOZTQGOUYZKV-AWEZNQCLSA-N 356.378 2.118 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCCC3 12154129 YJYXECMRQBHJIH-OAHLLOKOSA-N 366.425 2.025 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1O2 12183822 IGDIXRSCIJRISV-HXUWFJFHSA-N 369.421 2.365 0 40 FEAB CC[C@@H](C(=O)NCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 13715394 ZJAOYTPDVUZOIL-HNNXBMFYSA-N 354.403 2.280 0 40 FEAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCc1cnccn1 19376639 QXBHXKHFAFTJBV-UHFFFAOYSA-N 358.405 2.247 0 40 FEAB COc1cc(CCC(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)on1 19550412 LRFOSSIIAJJRLV-UHFFFAOYSA-N 355.398 2.293 0 40 FEAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102725933 UDAVBTNCLNCSAH-RBIGGUAWSA-N 374.387 2.291 0 40 FEAB O=C(CCc1cccnc1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037978404 UYWOXRGUNARGSC-OAQYLSRUSA-N 365.433 2.049 0 40 FEAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3ccc4c(ccn4C)c3)C2)C1 2056214980 IWVKVKPCHWIIPZ-UHFFFAOYSA-N 354.454 2.444 0 40 FEAB COc1cnc(C(=O)N2C[C@H]3CCN(CC4CCCC4)CC[C@H]3C2)cn1 2056223883 GCIOCPFWXDRXCD-CALCHBBNSA-N 358.486 2.459 0 40 FEAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)c2cncnc2)C3)cc1 2056224622 MNNZOPZZEBRWMC-HNNXBMFYSA-N 356.451 2.297 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)cc1F 1565545589 LFLQZVPCAWXODV-QFBILLFUSA-N 364.461 2.335 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1F 4165675 KOWXGKQTFGTCMB-UHFFFAOYSA-N 363.352 2.360 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 4249220 GBIROQVPAJJVPJ-CQSZACIVSA-N 367.453 2.321 0 40 FEAB COc1ccccc1OCC(=O)NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1 9070545 LFYAZBVBSZKRDP-HNNXBMFYSA-N 374.368 2.355 0 40 FEAB c1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c2nc[nH]c2n1 1775966320 YBHCPYPABBAMJJ-UHFFFAOYSA-N 351.414 2.316 0 40 FEAB O=C(OC1CCOCC1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585397359 PGODHGGVEXQDGE-INIZCTEOSA-N 371.430 2.303 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cnc(-c2ccccc2)nc1 40017147 CLVBZSFKODFKHZ-UHFFFAOYSA-N 357.373 2.492 0 40 FEAB COc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 40067702 PBOWWZYTGOCALC-MRXNPFEDSA-N 374.485 2.246 0 40 FEAB CCn1c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 10402294 BMWQNTFIHQGNML-UHFFFAOYSA-N 367.405 2.258 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 40017180 GBWGOJGSKBNXEX-HNNXBMFYSA-N 361.419 2.124 0 40 FEAB C[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1cc2ccccc2o1 40049876 VOXZDHOWKLRGKA-OAHLLOKOSA-N 365.437 2.222 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCn1nnc2ccccc2c1=O 31333657 KATILHXYWSXVBT-OAHLLOKOSA-N 350.422 2.319 0 40 FEAB COCC(=O)NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 20732863 ASVMQEYBURUUSD-UHFFFAOYSA-N 365.433 2.182 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCO1 51712251 HMHMQYMCCOPGKU-HNNXBMFYSA-N 365.861 2.048 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 21348329 KBMAKKMTPFZUEU-ZMSDIMECSA-N 360.454 2.351 0 40 FEAB COc1nc(N)nc2sc(C(=O)NCCCN3CCCCCC3)cc12 32753137 OSXJALCSIFETKB-UHFFFAOYSA-N 363.487 2.278 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 52702780 SFOIVUKTEASEAC-KGLIPLIRSA-N 364.515 2.441 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352346 CDOXMJKVPMJJON-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(F)cc2)cc1 6169186 VAXLQMFRLMCVHP-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB CC[C@H](CO)NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540583 CZNFMKLNZYRYHI-OAHLLOKOSA-N 361.394 2.380 0 40 FEAB O=C(Cc1cccc(F)c1)NCCNS(=O)(=O)c1cccc(Cl)c1 25130875 WEJHSFPUCYBZHU-UHFFFAOYSA-N 370.833 2.116 0 40 FEAB O=C(CN1CSCC1=O)NCC1(c2ccc(Cl)cc2)CCOCC1 55761835 ZTBVNFXZEUIHKH-UHFFFAOYSA-N 368.886 2.037 0 40 FEAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCNC1=O 12535077 UOMONIPZOZESMM-UHFFFAOYSA-N 350.831 2.478 0 40 FEAB Cn1cc(-c2nc(C(=O)N[C@@H](CC(=O)O)c3ccccc3)cs2)cn1 95356862 BPVTXVGFKSHHQS-ZDUSSCGKSA-N 356.407 2.489 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(Cl)c1 56099754 LYUANRAIGBWZNS-CYBMUJFWSA-N 366.874 2.386 0 40 FEAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3245588 XAVNPHQLTYLBMV-UHFFFAOYSA-N 371.345 2.388 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)cn1C 57021840 JHAJGYMRCKMALZ-CQSZACIVSA-N 367.858 2.004 0 40 FEAB Cc1c(Br)c(C(=O)NCc2ccc(C(=O)O)cc2)nn1C 27397415 VFGRGEKCBVHAPU-UHFFFAOYSA-N 352.188 2.119 0 40 FEAB Cc1nc(C)c(CCC(=O)NCCCCOc2ccc(F)cc2)c(=O)[nH]1 12623292 BKRFJBDRPHZITQ-UHFFFAOYSA-N 361.417 2.434 0 40 FEAB COCCOc1ncccc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 58180246 NCCBNNYNPVKWGY-UHFFFAOYSA-N 370.384 2.362 0 40 FEAB COc1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cn1 44836782 UVZXWNYXQIPONL-UHFFFAOYSA-N 355.306 2.226 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 58218179 ZIYIYVJFKMWIST-OAHLLOKOSA-N 370.428 2.419 0 40 FEAB CCN(CC)[C@@H](CNC(=O)C(=O)c1cnn(C)c1)c1ccccc1Cl 58355837 KYHQXRCJDOKOLC-INIZCTEOSA-N 362.861 2.456 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)ccc1OCC(=O)O 58377422 NSHQDJGUQRWULY-UHFFFAOYSA-N 363.391 2.194 0 40 FEAB CCOC(=O)c1cc2cc(NC(=O)NCC(=O)NC3CC3)ccc2s1 48375084 RCOMQXVNLKHJJO-UHFFFAOYSA-N 361.423 2.478 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29632568 HOCLTTVLRWNPDQ-FQEVSTJZSA-N 366.417 2.063 0 40 FEAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 2622020 UYJCFPATOFENHR-GOSISDBHSA-N 356.382 2.169 0 40 FEAB Cn1c(S)nc2cc(C(=O)N3CCc4ccccc4C3)ccc2c1=O 102855781 PTYMVMBHXRAWHT-UHFFFAOYSA-N 351.431 2.421 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2F)c1 2791765 HVLVESDFSUKKPX-UHFFFAOYSA-N 350.375 2.476 0 40 FEAB CCc1ccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12889842 ZXGKEOVKJCXVDY-UHFFFAOYSA-N 365.433 2.301 0 40 FEAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3464033 POFSUPDYLNXAPW-OAHLLOKOSA-N 358.225 2.285 0 40 FEAB COc1cc(C)c(CN2CCN(c3ncccc3C(=O)O)CC2)cc1OC 13192952 NTUIWDWDVZBGKJ-UHFFFAOYSA-N 371.437 2.428 0 40 FEAB C[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 4029837 AQAFOSZWMMKKCF-QWRGUYRKSA-N 359.378 2.028 0 40 FEAB biogenic CSc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 14197578 DGZAMHMGNQNLES-QGZVFWFLSA-N 359.407 2.407 0 40 FEAB COc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 14392862 DTIRWEVVPBGTAW-UHFFFAOYSA-N 353.382 2.251 0 40 FEAB CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)[C@@H]1CCS(=O)(=O)C1 9495080 DGPIGBFVIYMQQF-MRXNPFEDSA-N 361.463 2.500 0 40 FEAB CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc2ccccc2n1 7196306 VQEGLQXFTFFYQE-QGZVFWFLSA-N 370.405 2.336 0 40 FEAB CCCn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)n[nH]c1=O 7483715 FLPVGRFOUJYHRS-UHFFFAOYSA-N 364.446 2.404 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7709026 ZGHGFLPLYIRZSV-UHFFFAOYSA-N 366.420 2.220 0 40 FEAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1CCS(=O)(=O)C1 7960685 SJIMASHCCQDYJR-AWEZNQCLSA-N 374.466 2.045 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8015653 GVFHDUGZTQOJBH-NSHDSACASA-N 374.418 2.370 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 16694608 BVCVUSDHOWXBQC-YOEHRIQHSA-N 363.417 2.127 0 40 FEAB NC(=O)c1ccsc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 8351886 YLIJJBABLCAGEC-UHFFFAOYSA-N 351.771 2.047 0 40 FEAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 71846860 CSWTYMKTCGEGDW-HZPDHXFCSA-N 374.462 2.481 0 40 FEAB Cc1ccccc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@@H]2C1 306139178 SRJZGILOTGNQFC-SJORKVTESA-N 353.470 2.029 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 20768488 NAJVADSCGRFAKB-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1I 72343546 HTUFDDVNHKMNDD-NSHDSACASA-N 374.226 2.221 0 40 FEAB CN(C)c1ccc(CNC(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)cn1 72314260 XIZZRJBUXMPLBF-UHFFFAOYSA-N 366.425 2.083 0 40 FEAB CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4194799 PVMUOTUDLIZEAN-IETPZCKNSA-N 364.394 2.240 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408587340 BOAIVWXIMSPDPF-AWEZNQCLSA-N 366.483 2.369 0 40 FEAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2ccccc2Cl)CC1 20611971 KHUODZMEAFBAOL-CQSZACIVSA-N 350.846 2.487 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 72360351 CDKLHJFBAUWJOP-AWEZNQCLSA-N 356.459 2.451 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc(F)c1)O2 38851082 AIGUCZVLSVOVSH-MRXNPFEDSA-N 364.398 2.300 0 40 FEAB CCCCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704599 QHSLEMFHSNFHAA-UHFFFAOYSA-N 370.471 2.268 0 40 FEAB COc1ccccc1C(=O)NCCN1CCN(c2ccccc2F)CC1 56997444 LORJQKQZBBXJPP-UHFFFAOYSA-N 357.429 2.386 0 40 FEAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 31812721 XNDNVIKHZPNHSZ-ZDUSSCGKSA-N 372.450 2.411 0 40 FEAB C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 36375281 BWDPEGUHIBSSSY-NZMLQMEOSA-N 362.422 2.203 0 40 FEAB biogenic,in-vitro O=C(/C=C/c1cccs1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641098 NJAYJOLJGWZURF-ZZXKWVIFSA-N 366.450 2.086 0 40 FEAB CN(C)Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)[nH]n1 72258558 ZJIQHTVSZYBYAJ-QAPCUYQASA-N 373.432 2.159 0 40 FEAB COc1ccc(C)cc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 75162045 BONIWESYYKSFCL-UHFFFAOYSA-N 356.430 2.189 0 40 FEAB O=C(NCCc1cccs1)C1=C(c2ccccc2)S(=O)(=O)CCO1 35673173 CFPPMZXNQRMBTG-UHFFFAOYSA-N 363.460 2.221 0 40 FEAB CC(C)[C@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3ccccc3c(=O)n21 49181910 CPKFZDMLHUUGSC-LAUBAEHRSA-N 363.417 2.111 0 40 FEAB biogenic,in-vitro CNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SC(C)C)s2)c1 225417781 GBJDRYUVJIODSD-UHFFFAOYSA-N 372.497 2.199 0 40 FEAB CC1CCN(CCCc2nnc(CCCN3CCC(C)CC3)n2N)CC1 225149447 XONZYBSBLBBMAC-UHFFFAOYSA-N 362.566 2.321 0 40 FEAB COC(=O)CSc1nnc(NC(=O)c2cccc(OC)c2OC)s1 225050082 QAFQBQXNNQBOLX-UHFFFAOYSA-N 369.424 2.073 0 40 FEAB Cc1ccc(CN2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)s1 96207129 DNPLATDKGWQLKJ-GOEBONIOSA-N 358.529 2.119 0 40 FEAB CC(=O)c1cn(CC(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 331572590 HSRWNFPXXHJDPI-KSSFIOAISA-N 356.426 2.086 0 40 FEAB COc1cccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1 96147021 PIJLGSDGZUBBMU-UHFFFAOYSA-N 359.451 2.095 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N[C@H]1CCO[C@@]2(CCOC2)C1 332793226 BRVMSFBIHNFMBF-PXNSSMCTSA-N 370.453 2.052 0 40 FEAB O=C(NC1CC1)c1ccc2c(c1)CN(C(=O)c1cc[nH]n1)[C@H]2c1cnco1 96087106 RCPLLONOUXCMAJ-QGZVFWFLSA-N 363.377 2.035 0 40 FEAB Cc1nc(SCC(=O)c2cc(C)n(-c3nc[nH]n3)c2C)nc(O)c1C 537414562 ORXALJPHIWQGIF-UHFFFAOYSA-N 358.427 2.300 0 40 FEAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)Cc3ccsc3)CC2)N1 96199737 WLCPMSFTYVXFKF-INIZCTEOSA-N 355.463 2.351 0 40 FEAB Cc1cnc(N)c(S(=O)(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 331802201 MLARGLZEKCHWGG-UHFFFAOYSA-N 374.466 2.399 0 40 FEAB COc1ccc(CN2C[C@H]3[C@H](CC(=O)NCC4CC4)COC[C@H]3C2)cc1 96057169 WZULYHVLNQYDDR-GGPKGHCWSA-N 358.482 2.306 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 247886305 RUVXEPUYLJAVQG-VOMKJEOTSA-N 358.438 2.094 0 40 FEAB CC1(C)COC(=O)N1c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1 257252326 JUJSLRCAYHNXJW-UHFFFAOYSA-N 367.471 2.031 0 40 FEAB C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 253617455 NTTRGAIOMZIGLW-DASLHKFDSA-N 364.482 2.006 0 40 FEAB O=C(NCCC(c1ccccc1)c1ccccc1)c1nnc(O)nc1O 677947903 BTSUXGNJAJMFQX-UHFFFAOYSA-N 350.378 2.235 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@@H]21 585109458 QVPYHLKDZYCBKE-IXDOHACOSA-N 374.437 2.433 0 40 FEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)C(C)(C)n2cncn2)C1 585275672 FZJMGRZDFVBYHI-IBGZPJMESA-N 358.442 2.018 0 40 FEAB CN(CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1ccncc1 585276134 MKKAPBFEKHAWIT-PMACEKPBSA-N 353.466 2.108 0 40 FEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1F 677995966 CBWBCVGOAIHIKQ-UHFFFAOYSA-N 355.391 2.183 0 40 FEAB COc1ccc(OC[C@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 81603015 ZSBFIJKFEKWFBY-CQSZACIVSA-N 360.385 2.423 0 40 FEAB CCC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1 11695283 FEKGWXKMVJRNAE-UHFFFAOYSA-N 356.426 2.219 0 40 FEAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccc(Cl)c(Cl)c1 13636918 UCZXXVUBFFVERX-VHSXEESVSA-N 363.222 2.007 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 19370807 ZCIBFZDHQPFIRZ-QGZVFWFLSA-N 362.437 2.359 0 40 FEAB Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cncc(Cl)c2)o1 560254574 UYZHZYDYTDTCIC-STQMWFEESA-N 353.785 2.115 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1889110056 VJPIAGLLHLZVHM-UHFFFAOYSA-N 371.514 2.441 0 40 FEAB CN(c1ccccn1)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 1889211951 ITSOMYZFPZQPBV-UHFFFAOYSA-N 362.437 2.403 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1 16756783 PQWKEGKZYQGWCH-UHFFFAOYSA-N 374.249 2.173 0 40 FEAB COc1cc2c(cc1OC)CN(CN1C(=O)CC3(CCCC3)C1=O)CC2 23652624 QYSIYNIIUJUNGB-UHFFFAOYSA-N 358.438 2.339 0 40 FEAB NC(=O)CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12 2964419 UWGWVYMVNWKSSC-OAHLLOKOSA-N 364.430 2.106 0 40 FEAB CCNC(=O)c1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 4580516 XPXXGGKOODUDAW-LJQANCHMSA-N 367.430 2.321 0 40 FEAB COc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153583 ZYMPIVVKWWQQPJ-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB CCCc1cnc2c(c1SCc1ccccn1)c(=O)n(C)c(=O)n2C 10216826 MSJHWCYSXHPNCT-UHFFFAOYSA-N 356.451 2.272 0 40 FEAB C[C@@H]1CN(C(=O)N2CCCC2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055729719 BYXMAGBBFGMJCU-MDYRTPRTSA-N 372.469 2.496 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]c2)CC12CCOCC2 2055795880 MZZGNGIAVTZAKE-INIZCTEOSA-N 373.478 2.261 0 40 FEAB CCc1c(C)nc(C)nc1N1CCN(c2ncnc3c2ccn3C)CC1 2086861413 MPIBHOYRGISMIC-UHFFFAOYSA-N 351.458 2.264 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(CC2(O)CCCC2)CC1 585503441 RLDXMVSLGCROSZ-UHFFFAOYSA-N 368.481 2.322 0 40 FEAB Cc1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298047605 QVQPQUGTOBGSFR-UHFFFAOYSA-N 354.458 2.491 0 40 FEAB COc1cc2ncnc(N3CCC(NC(=O)C4CC4)CC3)c2cc1OC 2298199222 CDXJQULURJMVNZ-UHFFFAOYSA-N 356.426 2.142 0 40 FEAB COc1ccc(CCNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 100621152 QVCOAWWMJVADAP-UHFFFAOYSA-N 352.390 2.225 0 40 FEAB biogenic CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)C3CC3)cc(C3CC3)nc21 30126296 XGPQVGZVVLUCTM-LLVKDONJSA-N 370.453 2.147 0 40 FEAB COc1ccccc1CNC(=O)CN1CC(=O)Oc2ccc(Cl)cc21 31845049 PPASSZBFLCABCM-UHFFFAOYSA-N 360.797 2.390 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccsc1)CC(=O)N2 31809436 FUVGSVXIYYVCAX-SNVBAGLBSA-N 351.395 2.383 0 40 FEAB Cc1ccc(-c2cc(C(=O)NC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325488 VIXCWQXKYBQCEF-HNNXBMFYSA-N 361.467 2.356 0 40 FEAB Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc12 42108189 NWUJGCFTFAIJAW-GJZGRUSLSA-N 363.483 2.394 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NCC(=O)OCc3ccccc3)ccc21 22738958 VRVDOPUEWJDTIP-UHFFFAOYSA-N 352.390 2.069 0 40 FEAB Cc1cc(CN2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)no1 22799816 UBNXTOGSZPNFOD-FQEVSTJZSA-N 368.481 2.464 0 40 FEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 898163 SFMLOBMHASNPRY-UHFFFAOYSA-N 352.799 2.417 0 40 FEAB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C 47651555 XJFABHVFXZICOI-ZETCQYMHSA-N 358.769 2.114 0 40 FEAB Cc1cccc(Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 808480 PAKRAGBAISXQIE-UHFFFAOYSA-N 367.453 2.016 0 40 FEAB CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1 79095137 OVPJRIDZZPCPLK-UHFFFAOYSA-N 354.366 2.010 0 40 FEAB Cc1ccc(NC(=O)N2CCN(C[C@H](O)[C@H]3CCCO3)CC2)cc1Cl 79076152 WACBPIPXXLAMSM-DLBZAZTESA-N 367.877 2.338 0 40 FEAB O=C1C[C@@H](n2nnn(-c3cccc4ccccc34)c2=S)[C@@H]2CO[C@H]1O2 4524384 NIKGNGJPFJMWDQ-KBMXLJTQSA-N 354.391 2.207 0 40 FEAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(F)cc1 6545961 CYUBXXQFWKVBNK-GFCCVEGCSA-N 369.352 2.106 0 40 FEAB O=C(CN1CCCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCC1 97211778 HFFSCNWDSAAFHE-UHFFFAOYSA-N 361.511 2.007 0 40 FEAB Cc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)c2c(C)nn(C)c2n1 55348122 OASZFXIHVDEVHS-AWEZNQCLSA-N 365.437 2.020 0 40 FEAB CCOC(=O)N1CCN(C(=S)NCCSc2ccccc2)CC1 7926168 KJFUIXZOJSTUSM-UHFFFAOYSA-N 353.513 2.427 0 40 FEAB O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1C=C2S(=O)(=O)c1ccccc1 103013287 MNUVVQLLWRCHGX-DLBZAZTESA-N 367.426 2.344 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 8197573 MCIOLKCBAWFALJ-NSHDSACASA-N 362.879 2.320 0 40 FEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1NC(C)=O 43777787 YONVTDLGHRGQAY-CYBMUJFWSA-N 371.393 2.234 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1cccc2ccccc12 57380685 UQWGLZMKGACBJR-SFHVURJKSA-N 370.449 2.202 0 40 FEAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 9329273 GBIJOWBKNCTYBN-AEFFLSMTSA-N 373.497 2.427 0 40 FEAB COCc1ccccc1NC(=O)c1ccccc1CN1C(=O)CNC1=O 44549934 WXSOXEUOIBRLTR-UHFFFAOYSA-N 353.378 2.137 0 40 FEAB Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2cccnc2)N2CCOCC2)o1 57994664 RUQFZRNZCOXJDK-SQNIBIBYSA-N 355.438 2.276 0 40 FEAB CCN(C(=O)[C@@H](C)Oc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 9112415 OUYCRLNZOXKNHO-OLZOCXBDSA-N 357.497 2.211 0 40 FEAB CC(=O)NCCNC(=O)c1oc2ccccc2c1CSc1ncccn1 58265645 CWRRVKFANRUHNQ-UHFFFAOYSA-N 370.434 2.381 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(=O)[nH]c2ccccc12 22185441 UOTBIPFQJQGBAV-UHFFFAOYSA-N 366.402 2.098 0 40 FEAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2c2ccc(F)cc2)c2ccccc21 36360522 WQWXDOVZMMEBJK-QFIPXVFZSA-N 373.387 2.419 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(=O)n2ccsc2n1 10949021 VUVQPTHYTPRKLS-MEBBXXQBSA-N 358.375 2.028 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)C1CCCCC1 3340569 PWNYTQUJKIFYIP-HXUWFJFHSA-N 371.437 2.007 0 40 FEAB CCC(CC)NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2 11138372 XPORDEPFGAMFMP-UHFFFAOYSA-N 363.410 2.269 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CN1CCS(=O)(=O)CC1 45894678 BSNKWFNMDRBNFM-UHFFFAOYSA-N 367.511 2.375 0 40 FEAB O=C(COc1cccc(F)c1)NC[C@@H](c1cccs1)N1CCOCC1 12805598 BPEXOLBYXBGVNI-INIZCTEOSA-N 364.442 2.456 0 40 FEAB NC(=O)C1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 2643569 OERPRFHSUPQHGZ-UHFFFAOYSA-N 351.450 2.090 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3400919 MINRVOKJCWLDIK-UHFFFAOYSA-N 356.378 2.335 0 40 FEAB Fc1ccc([C@H](CNC(=S)NCc2ccco2)N2CCOCC2)cc1 12944424 XJPRMBBJJKECHL-KRWDZBQOSA-N 363.458 2.456 0 40 FEAB COc1ccc(OC)c(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 9154877 SMRNJMNOGRMQEY-HXUWFJFHSA-N 368.389 2.434 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1ccccc1CCc1ccccc1 39483004 NSCKSGOHTVBGSW-UHFFFAOYSA-N 352.390 2.180 0 40 FEAB CN(C)c1nccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 95463048 MKOAGSHLWLLMEY-UHFFFAOYSA-N 361.254 2.328 0 40 FEAB COc1ccccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 5279239 SJMYLGJKAWESFG-CYBMUJFWSA-N 374.462 2.336 0 40 FEAB COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)c1 9456441 SQWJWIOBWNICMK-UHFFFAOYSA-N 354.362 2.375 0 40 FEAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)cc1 4852555 UVYSMZMNILGXIY-UHFFFAOYSA-N 369.356 2.087 0 40 FEAB CN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 20121091 PHVUSCOJWUPTFS-LJQANCHMSA-N 366.444 2.197 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(N3CCCC3=O)c2)no1 7314366 SEUCUWIYPHZKFU-LBPRGKRZSA-N 357.366 2.294 0 40 FEAB CC1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 7447080 IKAXYVDFTPJEAX-UHFFFAOYSA-N 365.499 2.142 0 40 FEAB NC(=O)CN1CCC[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 68464492 RCXIWHDYCVXNSH-MRXNPFEDSA-N 363.889 2.218 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)C1CCN(C(=O)C2CC2)CC1 68536271 NCBYGKRVGCULTC-UHFFFAOYSA-N 355.394 2.119 0 40 FEAB CCn1nnc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)ccc21 7985244 CROFNLAQVQFUDF-UHFFFAOYSA-N 363.421 2.049 0 40 FEAB O=C(NN1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 8137385 YVBIVPBKKTVTKK-UHFFFAOYSA-N 371.890 2.255 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 8923366 IZGHCWXTGUYOHD-LBPRGKRZSA-N 355.847 2.260 0 40 FEAB COCCN1CC[C@]2(CN(CC3CC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306124973 CDMGYGXZHAUYNB-YLJYHZDGSA-N 360.502 2.138 0 40 FEAB C[C@H](C(=O)O)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 95970093 FOVDDRRLYBLYSW-SNVBAGLBSA-N 368.436 2.094 0 40 FEAB O=C1CN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CCN1 42863875 ADGVORCTZIQFOA-UHFFFAOYSA-N 360.417 2.170 0 40 FEAB COc1ccc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 72403855 HFGKKPCSFMIVTF-CQSZACIVSA-N 363.439 2.120 0 40 FEAB CSCC[C@@H](C(=O)NCc1ccco1)n1c(O)nc2ccccc2c1=O 524733785 PBQIJGBIQIUSQJ-HNNXBMFYSA-N 373.434 2.306 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1Cl 33769123 VWBWICIATMUIGU-LLVKDONJSA-N 370.833 2.462 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218547985 YZCITRQNVYXEPP-IXDOHACOSA-N 351.855 2.278 0 40 FEAB C[C@H]1CC(=O)Nc2c1c(NC(=O)c1cc3ccccc3oc1=O)nn2C 35597794 BLUMYDDIVRCEKR-VIFPVBQESA-N 352.350 2.225 0 40 FEAB Cc1nnc(NC(=O)Cc2cc(-c3ccc4c(c3)OCCO4)on2)s1 38498106 HZVSPTNSKJJDCT-UHFFFAOYSA-N 358.379 2.454 0 40 FEAB Cn1nc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1OC(F)F 567227259 DKXKYMBZPOYXDR-CYBMUJFWSA-N 351.357 3.032 0 40 FEAB COCCN(C)CCCNS(=O)(=O)c1c(Cl)cccc1Cl 32923064 BXHNYJHAPRIDGI-UHFFFAOYSA-N 355.287 2.240 0 40 FEAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 75157598 MRDOAQXIZFPWNZ-LBPRGKRZSA-N 357.419 2.488 0 40 FEAB COc1cccc(-c2noc(CNC(=O)COc3ccccc3OC)n2)c1 41153561 FFNCAOBRQNIBLH-UHFFFAOYSA-N 369.377 2.449 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225661460 NAPJQEQRKDBKKI-BMFZPTHFSA-N 356.422 2.214 0 40 FEAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC[C@H]1C(N)=O 225436391 SDBPCTBVNUFDHN-CABZTGNLSA-N 363.801 2.138 0 40 FEAB biogenic,in-vitro COC(=O)CSc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 224988688 MFJLLZBUIPOQNV-UHFFFAOYSA-N 367.452 2.438 0 40 FEAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCCOC 222979895 FTQJZDLLUKUXIE-OAHLLOKOSA-N 350.459 2.365 0 40 FEAB Cc1cccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224147010 FKRGBOBFUVAPQT-UHFFFAOYSA-N 356.430 2.332 0 40 FEAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1CC 223671585 CYZNAYARGAIUGV-IRXDYDNUSA-N 358.467 2.439 0 40 FEAB CC(C)OC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101366 XUDVSBBARMDEJE-OXFYSEKESA-N 373.453 2.188 0 40 FEAB Cn1cc(CN2CCC3(CC2)C[C@H](NC(=O)c2cccs2)CO3)cn1 96221225 ZLBVWXUQZFTCNZ-HNNXBMFYSA-N 360.483 2.035 0 40 FEAB O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(CC3CCOCC3)C[C@@H]12 96061765 VCMHIAICTRNURA-LVCYWYKZSA-N 353.466 2.070 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 247741097 OCWUHEPCUXQOJL-INIZCTEOSA-N 360.454 2.427 0 40 FEAB CN(Cc1ccco1)C[C@@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 248134060 RCKDNTYZQKQPQY-INIZCTEOSA-N 371.485 2.253 0 40 FEAB CC(C)n1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257335738 YLPOIRWIAWOBAK-UHFFFAOYSA-N 363.487 2.135 0 40 FEAB Cc1ccccc1NC(=O)NCCN1c2ccccc2N(C)S1(=O)=O 253471865 GGIWKUKCJHSTTM-UHFFFAOYSA-N 360.439 2.318 0 40 FEAB Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2 675666492 JHPABHCFDALDNH-UHFFFAOYSA-N 352.316 2.292 0 40 FEAB COc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)ncn1 680863057 SBRHEIDOMBMIKO-HOTGVXAUSA-N 356.401 2.077 0 40 FEAB CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)n1 681005377 JZYGYHAKTVYMKY-UHFFFAOYSA-N 352.442 2.230 0 40 FEAB CN1c2ccccc2N(Cc2ccc(OCC(F)(F)F)nn2)S1(=O)=O 606444794 WJXMVGRBMPNYOK-UHFFFAOYSA-N 374.344 2.119 0 40 FEAB COc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)cnn1 96120941 ZRDPCXQSWSJKAR-UHFFFAOYSA-N 356.430 2.319 0 40 FEAB C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1onc2c1CCCC2 613132697 OONOKXXAHTWICC-LBPRGKRZSA-N 352.394 2.082 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1CCCCN(C)C1)c1ncc(Br)cn1 624111733 CTRBBQKMDUPQJW-RYUDHWBXSA-N 370.295 2.331 0 40 FEAB O=C(NCCc1nc(=O)o[nH]1)C1(c2cccc(OC(F)(F)F)c2)CCC1 655037438 NIUZVFPFGMUQBQ-UHFFFAOYSA-N 371.315 2.042 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 661120582 GIECWIIAFUAJSC-CVEARBPZSA-N 373.501 2.278 0 40 FEAB O=S1(=O)CC[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 575421170 HBCFVBOQYNBUMI-OAHLLOKOSA-N 369.439 2.208 0 40 FEAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN2C(=O)c2cn(C)cn2)n1 585182502 LJMMYOPZGNFZEL-HNNXBMFYSA-N 363.425 2.634 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3Cl)C2)OC1 585104765 MEBVRQXFYWIGKP-AWEZNQCLSA-N 372.918 2.260 0 40 FEAB C[C@H](c1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 882811559 ZDTDFWUMYJFBCT-QGZVFWFLSA-N 353.470 2.196 0 40 FEAB Cc1nsc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)n1 1776001591 ADAHZFJSZVNLIB-UHFFFAOYSA-N 370.486 2.268 0 40 FEAB O=c1cc2c(nn1CC1CCN(c3ncc(Cl)cn3)CC1)CCCC2 585500135 BIOGBXPNRWJDKY-UHFFFAOYSA-N 359.861 2.482 0 40 FEAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)n1 8053816 SOCKSYLKXSHHHE-PKNBQFBNSA-N 368.422 2.479 0 40 FEAB CCn1cc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c(C)n1 12225262 HYJKKAHTEYQLBS-UHFFFAOYSA-N 368.437 2.009 0 40 FEAB COC(=O)c1ccccc1NC(=O)COc1cc(OC)ccc1C(=O)O 13084168 XKNSDKYKBAYUFG-UHFFFAOYSA-N 359.334 2.198 0 40 FEAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C 14427742 ZMZMYPLWGXURHG-UHFFFAOYSA-N 352.387 2.337 0 40 FEAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575413 HQEWDYULYPMSDL-AWEZNQCLSA-N 354.472 2.153 0 40 FEAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 17321359 RETMOWDGPOFSGA-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6326290 MIKYMHANAACSDP-NSIKDUERSA-N 362.407 2.224 0 40 FEAB CC[C@H](C)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6784893 WBKGJHOCINBDKK-KBPBESRZSA-N 353.488 2.186 0 40 FEAB Cc1cccc(OCC(=O)N2CC(Cn3cc(Br)cn3)C2)c1 1888890534 CBZQOPWWXZEYNW-UHFFFAOYSA-N 364.243 2.491 0 40 FEAB Cc1ccc(C)c2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2086992553 LVPMFWLKESYDFZ-UHFFFAOYSA-N 355.467 2.333 0 40 FEAB Cc1cccc(CN2CCC3(CCN(C(=O)c4cc[nH]n4)CC3)C2=O)c1 1565550890 HGRLHLRQYBWKGE-UHFFFAOYSA-N 352.438 2.373 0 40 FEAB CCc1nc(SCc2cccc(F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 4138936 SEBHFNNMDSJQMV-UHFFFAOYSA-N 360.414 2.021 0 40 FEAB COc1ccc(-n2nnc3c(=O)n(Cc4ccccc4)cnc32)cc1OC 5057423 UTKSZZASXFZXLY-UHFFFAOYSA-N 363.377 2.043 0 40 FEAB COc1cccc(OCC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 5220618 SXAXMIGXFRLHQP-CQSZACIVSA-N 358.369 2.135 0 40 FEAB CCS(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12 9569563 NNFOGNPXXGWFOK-UHFFFAOYSA-N 354.432 2.079 0 40 FEAB O=C(NCc1nnnn1C1CCCCC1)C(=O)c1c[nH]c2ccccc12 10594287 ZSJKULWBMZLZQZ-UHFFFAOYSA-N 352.398 2.159 0 40 FEAB COc1cc(C(=O)NC[C@@H](c2cccn2C)N(C)C)cc(OC)c1OC 11846413 UKGLXALVXQSFJP-HNNXBMFYSA-N 361.442 2.084 0 40 FEAB CCn1c(O)c(C(=O)NCCCN2CCCCC2)c(=O)c2ccccc21 19229004 LVZMLDIWBXUZPM-UHFFFAOYSA-N 357.454 2.333 0 40 FEAB CN([C@H]1CCCN(c2ccncc2Br)C1)S(=O)(=O)C1CC1 2086865106 LARRQZWYDAPWEB-NSHDSACASA-N 374.304 2.237 0 40 FEAB CCc1ncc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cn1 19523390 IDRMAVZIZRSQPF-HNNXBMFYSA-N 351.458 2.352 0 40 FEAB COc1ccc(CCC(=O)NCc2cc(=O)n(-c3ccccc3)[nH]2)cc1 9137585 LREBKASBANUULC-UHFFFAOYSA-N 351.406 2.423 0 40 FEAB C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(-n2ccnc2)cc1 40009640 FLYZERIMUTZGNB-LBPRGKRZSA-N 365.418 2.433 0 40 FEAB O=C1N[C@@]2(CCSC2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 30543303 UARSHYRNWPVXLI-LJQANCHMSA-N 359.495 2.326 0 40 FEAB CC[C@H](C)n1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 100772509 MYWOOYZAOLXOOB-APPDUMDISA-N 368.437 2.272 0 40 FEAB biogenic O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1cccnc1 102110780 BDZWYPDUAOANJD-IXDOHACOSA-N 355.438 2.310 0 40 FEAB Cc1ccoc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 21899177 OQUYQOUXSYRVGF-UHFFFAOYSA-N 350.396 2.330 0 40 FEAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12393189 QWAOCNKIMKPUQI-UHFFFAOYSA-N 365.355 2.352 0 40 FEAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9049486 UNEBMNNRGKUCLJ-GJZGRUSLSA-N 368.499 2.401 0 40 FEAB COc1ccccc1C1(NC(C)=O)CCN(CC(=O)NC(C)(C)C)CC1 4981569 XYIIITHEVQKPRC-UHFFFAOYSA-N 361.486 2.037 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c1 7000666 NZQWHEFAWRZDRE-UHFFFAOYSA-N 358.369 2.354 0 40 FEAB COC(=O)[C@H](CNc1ccccc1)[C@](O)(c1nccn1C)C(F)(F)F 24927089 WGRAIYRARNLEJO-WFASDCNBSA-N 357.332 2.071 0 40 FEAB COC(=O)COc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 24953315 TXBKBDPPTKPWKA-UHFFFAOYSA-N 366.377 2.380 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 12533496 RTSDITIQQZTYFC-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB COc1cccc(OC)c1NC(=O)CN1CCN(c2ccccc2)CC1 57711263 SXGYCKZOABUSSA-UHFFFAOYSA-N 355.438 2.465 0 40 FEAB CCc1ccc(CCC(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1 56808764 CBEIFNLZHFIYRA-UHFFFAOYSA-N 371.525 2.385 0 40 FEAB CN(C)C(=O)c1cc(NC(=O)CNC(=O)Cc2ccccc2)ccc1Cl 57146648 VYHMFXWDGDOBJA-UHFFFAOYSA-N 373.840 2.339 0 40 FEAB CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 57449769 LAAMZSNEFPLFIP-UHFFFAOYSA-N 351.450 2.328 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)NCC(C)(C)N3CCOCC3)n2)c(C)c1 57485808 FPBACIYFLCCNMQ-UHFFFAOYSA-N 371.485 2.033 0 40 FEAB Cc1cc(=O)n(CC(=O)NC2CCCC2)c(N2CCc3ccccc3C2)n1 57506477 JIDKWWCTXBOZSV-UHFFFAOYSA-N 366.465 2.173 0 40 FEAB COc1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc(OC)c1 58243995 WWLCRENCFBSHPW-MRXNPFEDSA-N 356.378 2.282 0 40 FEAB CC(C)(C)c1nc(CN2CCN(Cc3cn4ccccc4n3)CC2)no1 58265105 DBMZOMLZBKQTTI-UHFFFAOYSA-N 354.458 2.333 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC(C)C 26112190 MLZNMJHFIVFXGI-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3378059 WCYZXMRBARLULR-LHSJRXKWSA-N 363.417 2.431 0 40 FEAB Cn1cc(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)cn1 28287690 KFMVLKQLCQMEFA-UHFFFAOYSA-N 362.183 2.219 0 40 FEAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1C(C)C 20802016 AIAVIKCJSKISMQ-HOTGVXAUSA-N 359.426 2.406 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CC1 11566126 MLSJVTKLWRQNQM-UHFFFAOYSA-N 351.255 2.155 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c2ccccc12 11565985 WBUUCGWQSRXNHW-UHFFFAOYSA-N 362.451 2.091 0 40 FEAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 10383272 ZDUPJAQKHHPVCI-UHFFFAOYSA-N 356.831 2.308 0 40 FEAB O=C(Nc1ccc(SCCN2CCOCC2)nn1)c1cccc(F)c1 23128290 IWQCNUZTLLNNNX-UHFFFAOYSA-N 362.430 2.292 0 40 FEAB COc1cc(OC)c(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1OC 2631502 BMFOZPRUSHXUHN-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)s1 61042141 BPYRZXSFJNCXTH-NSHDSACASA-N 374.532 2.219 0 40 FEAB CN(C)C(=O)CN(CC(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 72494065 YXWGZGKPIJWPKF-UHFFFAOYSA-N 357.429 2.379 0 40 FEAB COC(=O)c1sc(NC(=O)CN2CCC(C)CC2)c(C(=O)OC)c1C 5555045 HAQJCHXMJDKYHA-UHFFFAOYSA-N 368.455 2.300 0 40 FEAB C[C@@H]1CN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)C[C@@H](C)O1 6664683 RUBIFIONJMCKLJ-VXGBXAGGSA-N 373.844 2.386 0 40 FEAB COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccco2)CC1 19841742 RGRNZTOZTCLVQK-UHFFFAOYSA-N 360.410 2.263 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 95459489 NMHSXCQAVWGFFQ-AWEZNQCLSA-N 357.476 2.045 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1 7735362 JXZKMZFIUUSYKZ-SFHVURJKSA-N 361.405 2.152 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 16305779 CXFYXFUZVJPCQZ-UHFFFAOYSA-N 354.378 2.309 0 40 FEAB CN(C)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 408921051 BVRRNMKCKGSHAC-UHFFFAOYSA-N 358.769 2.213 0 40 FEAB C[C@H](NC(=O)C1CCC1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 70018646 PFTGTYHIKVSJGH-AWEZNQCLSA-N 357.454 2.169 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NCC1CCCCC1 8314204 XQRYIQLTRPLEDF-CYBMUJFWSA-N 354.472 2.237 0 40 FEAB C[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H](C(N)=O)O1 92007152 XPRGSDXWZGIHDH-AUUYWEPGSA-N 350.422 2.100 0 40 FEAB CN(C)CCCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 8718918 PAMVUEMPMXGBHH-HNNXBMFYSA-N 373.906 2.313 0 40 FEAB COC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 9954956 FGRJVYMUPPXIQJ-MRXNPFEDSA-N 352.390 2.460 0 40 FEAB CCc1ccccc1NC(=O)CN1CCN(Cc2cccc(OC)n2)CC1 75611021 WQWLHZSJSLHQHI-UHFFFAOYSA-N 368.481 2.409 0 40 FEAB COc1ccccc1CCNC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655733 HMZXVIAYVCJZTG-UHFFFAOYSA-N 374.387 2.404 0 40 FEAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2ccccc2)cc1 67896303 YIQPDQHOHXAHJA-WIYYLYMNSA-N 368.433 2.149 0 40 FEAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38833500 OSLAHQFTKUQZNE-INIZCTEOSA-N 360.435 2.469 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(CC(F)(F)F)CC1 60613336 DXQBDXVCDWICGR-UHFFFAOYSA-N 352.360 2.252 0 40 FEAB COc1cc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc(OC)c1C 531998741 KDWDCYAEUZQIBI-UHFFFAOYSA-N 355.390 2.364 0 40 FEAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 35425980 SDEBFJPYDGLDOG-AWEZNQCLSA-N 366.381 2.144 0 40 FEAB biogenic,in-vitro COc1ccc(OC)c([C@@H](C)NC(=O)c2cnc3ccccn3c2=O)c1 40039692 OSOOVRLGMCOLHR-GFCCVEGCSA-N 353.378 2.203 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223363551 PSNADXRMBZVCDW-KRWDZBQOSA-N 366.417 2.265 0 40 FEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 222869844 ANMBHPAWPZMVCN-AWEZNQCLSA-N 374.412 2.376 0 40 FEAB CCOc1ccc(-c2noc(CNC(=O)COc3ccccc3F)n2)cn1 225815755 HKZRVPLMLJOJRH-UHFFFAOYSA-N 372.356 2.365 0 40 FEAB Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1N(C)S(C)(=O)=O 222461502 QATFYACURISGHS-UHFFFAOYSA-N 350.415 2.460 0 40 FEAB CC[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 191395523 PRQJFHHNSPBWAD-QGZVFWFLSA-N 362.451 2.009 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CCN1CCSC1=O)c1cccc(F)c1 45561310 CUHMKXFLUUAFOU-HNNXBMFYSA-N 362.430 2.324 0 40 FEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@H]1C 225875796 QILYMXPTZULVLW-SECBINFHSA-N 351.453 2.414 0 40 FEAB Cc1nc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)s1 332162659 TZGXSPZTASXXML-YGRLFVJLSA-N 365.480 2.232 0 40 FEAB Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)N2CCNC2=O)c(C)o1 85467716 PSRWYMVUQWTCJW-INIZCTEOSA-N 359.401 2.402 0 40 FEAB CCCCN1CCOC[C@@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1 585083044 YBTQXPFLVYINKP-LJQANCHMSA-N 363.477 2.412 0 40 FEAB CN(Cc1nc[nH]n1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 585081107 SFDQFMDWSIJXLW-UHFFFAOYSA-N 370.862 2.458 0 40 FEAB CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111690 OYYOECYWVPMVBJ-RDJZCZTQSA-N 366.421 2.180 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2cccnc2)C(=O)CO3)s1 96240153 RDLDFPZHYXTVSX-LJQANCHMSA-N 373.478 2.086 0 40 FEAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4ccco4)C3)C2)nn1 96078504 GZABPVMSCJJYNG-QFBILLFUSA-N 358.442 2.098 0 40 FEAB COC[C@H]1CC2(CCN([C@H]3CCOC3)CC2)CN1Cc1nccs1 96240348 QIVFZBMZJJEXBW-JKSUJKDBSA-N 351.516 2.235 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccccc1)CC2 96147197 RBLZRFQUGUFRPE-SFHVURJKSA-N 352.438 2.219 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 248109643 GVHNSRVTDJMXJW-GOSISDBHSA-N 372.469 2.252 0 40 FEAB O=C1CCC[C@]2(CN(C(=O)CCN3CCCC3)C[C@H]2c2ccccc2)N1 257230495 GCODRQIIKIPOQW-GHTZIAJQSA-N 355.482 2.137 0 40 FEAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)Cc1cccs1 257259262 KXNVCKAMXJOPIU-GFCCVEGCSA-N 353.469 2.171 0 40 FEAB CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3nccs3)n2)CC1 257211046 BXIBIMUXCOJHOO-UHFFFAOYSA-N 366.512 2.266 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257289427 PYNUVWNAWSXUGG-VQIMIIECSA-N 357.385 2.458 0 40 FEAB O=C1COC2(CCN(C(=O)NCC3(Cc4ccccc4)CCCC3)CC2)N1 1615592715 ZNIYVKOPFGZZCC-UHFFFAOYSA-N 371.481 2.438 0 40 FEAB Cn1cc(-c2noc(C[C@@]3(O)CCCN(Cc4ccccc4)C3)n2)cn1 643838462 KFPPHJYPWVQVJZ-IBGZPJMESA-N 353.426 2.040 0 40 FEAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cnn2cccc(Cl)c12 659125690 LWSHOXMRVBPOIC-NSHDSACASA-N 351.790 2.084 0 40 FEAB N[C@H](C(=O)NCC1CCN(c2ccncc2)CC1)c1ccc(F)cc1F 662794311 MPDWIVPAFFPDNT-SFHVURJKSA-N 360.408 2.392 0 40 FEAB CCN1C(=O)C[C@H](C(=O)N2CCc3ccccc32)[C@H]1c1cnn(C)c1C 665119881 YKBVWTKCQUELEB-KXBFYZLASA-N 352.438 2.227 0 40 FEAB CCN1C[C@H](CN(C)c2ncnc3c2Cc2ccccc2OC3)CC1=O 97729726 XSUKXLIWWCAUQJ-AWEZNQCLSA-N 352.438 2.264 0 40 FEAB Cc1c(C(=O)Nc2ccc(N3CCNCC3)cn2)nc(O)c2ccccc12 655415370 CJVKYXQNGMEUOU-UHFFFAOYSA-N 363.421 2.306 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 585277088 RZBWUJVIEIDNPJ-HXUWFJFHSA-N 357.454 2.310 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2C)Cc2ccnn21 585112928 YUPCCEINOWSZDY-SFHVURJKSA-N 362.499 2.078 0 40 FEAB CO[C@@H]1CCN(CCCOc2ccccc2F)C[C@H]1CC(=O)N(C)C 585277777 XUTTWFCXVFONSW-NVXWUHKLSA-N 352.450 2.410 0 40 FEAB CC(=O)NCC1CCN(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 56485398 KJUYUKAKTBPXHD-UHFFFAOYSA-N 359.470 2.112 0 40 FEAB C[C@@H](NC(=O)N1CCC[C@H]1CN1CCCC1)C(=O)N1CCc2ccccc21 83927592 LBRPZIHSAFXTEH-AEFFLSMTSA-N 370.497 2.234 0 40 FEAB Cc1nc(C)c(CCC(=O)N[C@H]2CCCOc3ccc(F)cc32)c(=O)[nH]1 84005014 ZRYVALURVHIDIE-INIZCTEOSA-N 359.401 2.489 0 40 FEAB CN1CCCc2cc(C[C@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3C)ccc21 13570308 DXUXQENNAZYJBA-ICSRJNTNSA-N 372.490 2.348 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc21 15329002 NDWVDSQQKJRQOZ-UHFFFAOYSA-N 350.465 2.478 0 40 FEAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 15789890 NYGVHSOEUZRLLV-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB O=C(Cc1ccccn1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19687651 CTHCZTCXYXRXAB-IBGZPJMESA-N 361.405 2.076 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4cccc(F)c4)CC3)n2CC1 19709428 IYCINTNOOOCEAB-UHFFFAOYSA-N 371.460 2.201 0 40 FEAB CNc1cc(CN(C)C(=O)C2CCCC2)nc([C@@H]2CCCN2C(C)=O)n1 19759828 AXDIJOILDLVWHE-INIZCTEOSA-N 359.474 2.350 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 19901543 YYURVCYQHWNCOP-IXDOHACOSA-N 356.507 2.353 0 40 FEAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)NCc2ccco2)c1C 15866622 FEGTZFPCIACLQE-UHFFFAOYSA-N 359.407 2.125 0 40 FEAB CCc1nnc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)s1 681828399 ZWDCPSPARCRHHQ-OAHLLOKOSA-N 351.501 2.103 0 40 FEAB Cn1cncc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888897344 HQHUZGFJKSEPIV-CALCHBBNSA-N 374.448 2.086 0 40 FEAB COCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 6267438 WYAQRFPTOXCANY-GDBMZVCRSA-N 366.458 2.248 0 40 FEAB COc1cccc(S(=O)(=O)N2CCCC[C@H]2c2cc(O)n(C)n2)c1 2037843530 FENGMXJUDXCQIB-HNNXBMFYSA-N 351.428 2.050 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1=O 2037985758 VIPDCCZNCKWFPR-IBGZPJMESA-N 362.474 2.096 0 40 FEAB O=C(O)COC(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 2061000621 AETSJWUOAXYXLJ-UHFFFAOYSA-N 370.357 2.488 0 40 FEAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@@H]3C2)cn1 1565545229 XOFDYFMJANXGLJ-MSOLQXFVSA-N 372.494 2.134 0 40 FEAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1 4061361 JDJUTZIBAZUBRK-UHFFFAOYSA-N 357.439 2.044 0 40 FEAB O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(CCc1ccccc1)CN2 19938923 ISEODWOSWJWOKT-UHFFFAOYSA-N 362.433 2.013 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@H](Oc3nccnc3OC)C2)cc1 225493085 OPFXTFCSXQTPOD-KRWDZBQOSA-N 371.437 2.496 0 40 FEAB O=C(NC[C@]1(OCCO)CCOC1)C1(c2ccc(Cl)cc2)CCCC1 617716647 SVCVOGOSYQUIOI-GOSISDBHSA-N 367.873 2.436 0 40 FEAB Cc1nc2c(c(N3CCN(Cc4n[nH]c5c4CCCC5)CC3)n1)CCC2 2298063526 RSDSEKQCHMLLSU-UHFFFAOYSA-N 352.486 2.198 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cn(Cc2ccccc2)nn1 40040425 UAISCBBOZAZJAM-UHFFFAOYSA-N 364.405 2.370 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1sccc1-n1cnnn1 40093073 XHBYRWDNTTWSEA-CQSZACIVSA-N 372.454 2.274 0 40 FEAB C[S@](=O)c1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1 40069466 ZHGLCJJIINLMOY-AREMUKBSSA-N 370.474 2.476 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H]1COc2ccccc2O1 31242961 AJPGHWJWWVJDKM-HNNXBMFYSA-N 350.378 2.146 0 40 FEAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccccc1F 21872753 KAMQIWFYVURRSN-ACCUITESSA-N 362.426 2.422 0 40 FEAB COC(=O)c1cc(NCC(=O)N2CCCCCCC2)cc(C(=O)OC)c1 52875207 SQGPOCLJNLLALC-UHFFFAOYSA-N 362.426 2.464 0 40 FEAB CC(=O)Nc1ccc2n(c1)cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 633457 NMJKQLNESKDFQX-UHFFFAOYSA-O 353.402 2.450 0 40 FEAB Cc1cc(=O)c(O)c(CN2CCN(Cc3cccc(Cl)c3)CC2)n1C 79482209 HFIRPWPJUNOAMC-UHFFFAOYSA-N 361.873 2.371 0 40 FEAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)ccc12 2116072 YRDDIMAXVMGUKA-SWLSCSKDSA-N 361.394 2.484 0 40 FEAB biogenic Cc1ccc(CCCC(=O)N(C)CC(=O)N(C)C2CCN(C)CC2)cc1 95393615 NFBJLGSVMZAZGZ-UHFFFAOYSA-N 359.514 2.329 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)c1cccc(C(F)(F)F)c1 24226756 UTQZTCGKQXAYKG-CQSZACIVSA-N 358.341 2.316 0 40 FEAB COc1ccccc1CCC(=O)OCCN1C(=O)c2ccccc2C1=O 6081462 DGZBNCLBUFCIDH-UHFFFAOYSA-N 353.374 2.467 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cccc(-n2cccc2)c1)C(=O)OC 7105799 BODOYARQHVEMRZ-KDOFPFPSSA-N 372.421 2.338 0 40 FEAB O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 24701388 PFTITBDHKUBVRM-UHFFFAOYSA-N 353.378 2.301 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8502146 WJJNQEMUJBBNIS-FQEVSTJZSA-N 357.454 2.465 0 40 FEAB OCCN1CCO[C@](O)(c2cc(-c3ccccc3)nc3ccccc23)C1 8581565 VWNMNPOOYFEGIH-NRFANRHFSA-N 350.418 2.371 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CS(C)(=O)=O)c1 25183233 LZLXJKIFFKWZHC-UHFFFAOYSA-N 373.430 2.221 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 25145266 RCSRHRJWAKMVGF-NWDGAFQWSA-N 364.389 2.446 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccsc1 25329717 VRETXSKIEVXHMY-OAHLLOKOSA-N 352.481 2.184 0 40 FEAB CCCn1nc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)ccc1=O 25455239 DQYQSEHPLGJJBJ-UHFFFAOYSA-N 358.427 2.071 0 40 FEAB COc1ccc(CCCNC(=O)NCCc2nnc3n2CCCCC3)cc1 56489009 HNNWRRVJNBFEMR-UHFFFAOYSA-N 371.485 2.488 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccsc3c2=O)c1C 9638001 JHWGZIWOWFBXNB-UHFFFAOYSA-N 359.407 2.463 0 40 FEAB Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3N)c2C)n1 10137793 AQSHHQDJWRDPJT-UHFFFAOYSA-N 371.422 2.271 0 40 FEAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCCc1ccccn1 58192153 VKTNEZCFVPUXLX-UHFFFAOYSA-N 359.451 2.038 0 40 FEAB Cn1c(CCC(N)=O)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 57089819 CKEYTMAHFFJHRH-INIZCTEOSA-N 371.510 2.478 0 40 FEAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccco2)n2nnnc2N3)c1 10297020 UHTRDOXENKHQLY-OAHLLOKOSA-N 363.337 2.132 0 40 FEAB Cc1cccc2nc(C(=O)N3CCC(NC(=O)c4ccncc4)CC3)cn12 58328597 QHEVGSGGSDQNGJ-UHFFFAOYSA-N 363.421 2.072 0 40 FEAB O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1ccccc1)CN=2 2259444 XVEHYJVIOAMJKW-YBEGLDIGSA-N 355.850 2.447 0 40 FEAB Cc1cc(C)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c(Cl)c1 11206428 PNIHVDGSUVPQDF-UHFFFAOYSA-N 363.830 2.399 0 40 FEAB O=C1CC2(CCN(C(=O)c3cccnc3)CC2)CN1Cc1cccnc1 108533555 UEWVLYFIOQGJHB-UHFFFAOYSA-N 350.422 2.132 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2C)n(C)c1=O 13540059 XZXDURPGDCGDHB-GFCCVEGCSA-N 353.426 2.013 0 40 FEAB O=C(O)CCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49545135 GYLRMHSTLMNDRV-UHFFFAOYSA-N 365.389 2.045 0 40 FEAB CCN(C(C)=O)c1nc(CN[C@@H]2CN(c3ccc(F)cc3)C2=O)cs1 96006914 KGXHLQWHDKZQKU-OAHLLOKOSA-N 362.430 2.160 0 40 FEAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)NCC(=O)O)c2)cc1 95425112 ORHLBJGRLRJDQW-UHFFFAOYSA-N 368.389 2.411 0 40 FEAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccnc3)CC2)c1C 14138046 KCSVMOLGXDLJCD-UHFFFAOYSA-N 352.438 2.095 0 40 FEAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CCCCC1 5428844 FFZADFYBIUXXJE-KRWDZBQOSA-N 355.438 2.215 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@H](CNC(=O)N3CCCC3)CO2)C1 306124536 BTDDQGLAUVGZMX-OAHLLOKOSA-N 364.515 2.238 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(C=O)cc1 7091226 CHKXWVXALDZQHT-ZDUSSCGKSA-N 366.373 2.420 0 40 FEAB Cc1ccc(SCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 9495860 KSPQCBCIFASGFC-UHFFFAOYSA-N 354.431 2.500 0 40 FEAB O=C(NCc1ccccc1CN1CCCC1)c1n[nH]c(=O)c2ccccc12 7118869 IQBAEUPSTTZKQH-UHFFFAOYSA-N 362.433 2.449 0 40 FEAB CNc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)s1 7103209 YNUSVTYNQBNLHT-VIFPVBQESA-N 363.468 2.436 0 40 FEAB CCn1c(SCc2nnc(-c3ccc(Br)o3)o2)n[nH]c1=O 9500096 HZXBNXMRBIFZQJ-UHFFFAOYSA-N 372.204 2.289 0 40 FEAB C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc(N2CCOC2=O)c1 68663045 NFEMTGJBRWFBAP-GFCCVEGCSA-N 353.378 2.233 0 40 FEAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C 71841171 GRXJVVDUUNWZHK-MRXNPFEDSA-N 362.474 2.206 0 40 FEAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCNC1=O 8133290 YHICTYIBWJSTAE-UHFFFAOYSA-N 361.402 2.063 0 40 FEAB COc1ccc(CCNC(=O)[C@H](C)n2nnc3ccccc32)cc1OC 16898268 NUWVBVDBFQTGEI-ZDUSSCGKSA-N 354.410 2.368 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCSc2ccccc21 8230686 SWCKHMIDVPLSID-CYBMUJFWSA-N 359.451 2.204 0 40 FEAB O=C([C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1)N1CCOCC1 16964285 KEFLNMQUNRHOMK-SFHVURJKSA-N 370.380 2.092 0 40 FEAB CN1CC[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@@H]1c1ccccc1 89375136 QJWOLSJWGCHULC-AEFFLSMTSA-N 357.479 2.430 0 40 FEAB COC(=O)N[C@H](C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C 97212429 BDBIYMPUJPVYOA-KGLIPLIRSA-N 371.478 2.225 0 40 FEAB O=C(NCCC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O)OCC(F)(F)F 75108930 DCTPSNMRTUBKIT-VXGBXAGGSA-N 364.364 2.415 0 40 FEAB O=C(NCCC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O)OCC(F)(F)F 75108926 DCTPSNMRTUBKIT-NEPJUHHUSA-N 364.364 2.415 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(C)o2)cc1OC 89652366 FMGDALKGRGLWIG-RMKNXTFCSA-N 351.380 2.124 0 40 FEAB CCN(Cc1nonc1C)C(=O)CCn1nc(C)c(Br)c1C 28233190 OMGDQBGBMSINME-UHFFFAOYSA-N 370.251 2.393 0 40 FEAB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NCCc1ccccc1 28911645 ICRSSZKORXTBOV-SFQUDFHCSA-N 350.374 2.416 0 40 FEAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32096626 GMFLQRSASLPACM-QGZVFWFLSA-N 364.453 2.090 0 40 FEAB O=C(C1CC1)N1C[C@@H](c2nccs2)[C@@]2(CCN(CC3CCC3)C2=O)C1 306133210 MFFRKIGWHUZPIO-HNAYVOBHSA-N 359.495 2.498 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@@H](C(=O)NC3CC(F)(F)C3)C2)cs1 306123131 AFJKRKGNZSCEFJ-CQSZACIVSA-N 367.425 2.119 0 40 FEAB CC(C)OCCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223960650 CYRCZEOSZMKZHG-UHFFFAOYSA-N 374.478 2.303 0 40 FEAB Cc1cnc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4ccsc4)C3=O)C2)cn1 96201781 QQQSDMFZQHXWOA-KZULUSFZSA-N 356.451 2.362 0 40 FEAB Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)s1 97952748 JRBSVKQHWIUGTM-LJQANCHMSA-N 363.527 2.205 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)N4CCCC4)C3)C2=O)n1 96048835 WVUDXNMTHNPEDV-HXUWFJFHSA-N 356.470 2.420 0 40 FEAB Cc1ccc(C(=O)N2CCn3cc(CN(C)Cc4cccnc4)nc3C2)o1 96059555 LBXSXJZJVPIYJT-UHFFFAOYSA-N 365.437 2.468 0 40 FEAB C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(Cl)nc3n2)C[C@@H](C)O1 95933222 AJPNZOOJUKYPGV-TXEJJXNPSA-N 363.849 2.128 0 40 FEAB O=C(c1cccc2c1OCCO2)N1Cc2cncn2[C@@H](COCC2CC2)C1 247961787 XWJQGHJPYSUDJO-MRXNPFEDSA-N 369.421 2.278 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 242339224 ZGBHLTFSYAAOKX-UONOGXRCSA-N 373.469 2.357 0 40 FEAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2NC1=O 252511284 ZWLUDVIHLQHYLD-WBMJQRKESA-N 368.455 2.034 0 40 FEAB C[C@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027963 LWVMOIRYCRNZBA-LBPRGKRZSA-N 367.357 2.428 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)CC1 257311379 UJEPZDWYASPGGB-KOMQPUFPSA-N 370.453 2.160 0 40 FEAB CN1C(=O)CC[C@H](C(=O)N2CCC(O)(C(F)F)CC2)[C@@H]1c1ccccc1 681758416 BKUOWEPFMBBEIG-HOCLYGCPSA-N 366.408 2.215 0 40 FEAB CNC(=O)c1cccnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685940331 DTLJISYTHYFCMO-DJJJIMSYSA-N 353.426 2.260 0 40 FEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F 35179469 CKRBCBLGJBGZOW-QMMMGPOBSA-N 350.209 2.352 0 40 FEAB O=C(c1nccs1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615122511 PMAOCIRWIJHRBL-GOSISDBHSA-N 357.435 2.181 0 40 FEAB O=C1CO[C@]2(CCCN(CC3CCOCC3)C2)CN1c1ccc(F)cc1 1615119597 IXSWGUWCXAVNSQ-FQEVSTJZSA-N 362.445 2.450 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=S 8109192 XGVDCAXQEUWZSE-YHYXMXQVSA-N 373.839 2.428 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11859901 MJFQMQCKFRMQEL-GHYKFQNRSA-N 363.410 2.330 0 40 FEAB CC(=O)c1cnc2cc(C(=O)N3CCc4ncc(Cl)cc4C3)nn2c1C 19552920 NQYMGSRJEPODAF-UHFFFAOYSA-N 369.812 2.487 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C 19578328 HCGIOKQEAKPDEJ-CWFSZBLJSA-N 354.498 2.188 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCOc2ccccc2C1 652399172 UMRYBBADWGNMQW-AWEZNQCLSA-N 354.406 2.284 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679888 UXIZEBUOYSDUNY-KPZWWZAWSA-N 361.467 2.233 0 40 FEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(N(C)C)c2)nn1 1888860043 SVIKKBAAWCXDBI-DFNIBXOVSA-N 369.469 2.499 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245231455 CYQBIBRVAZRZGH-NJURLYQPSA-N 367.373 2.161 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)c3ccns3)C2)C1 2056224025 ARSXURJMJFIBHF-GOSISDBHSA-N 359.499 2.395 0 40 FEAB COc1ccc(-c2coc3cc(OC(=O)CO)ccc3c2=O)cc1OC 2060990655 RUDOPNLVDFMCPQ-UHFFFAOYSA-N 356.330 2.375 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 1565548652 HETZCYAGZLHOIE-HZPDHXFCSA-N 357.404 2.493 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565547257 HGVRJWDHXQWOIC-UHFFFAOYSA-N 368.481 2.236 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)c1 1565548135 SZDVELPEVODJRD-UHFFFAOYSA-N 366.465 2.171 0 40 FEAB O=C(Cc1ccc(F)cn1)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1565548217 VCVLKTYHOOAFRI-KRWDZBQOSA-N 355.413 2.009 0 40 FEAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=S)NC(C)(C)C)cc12 13523327 UILSHBSKKFDJSH-UHFFFAOYSA-N 363.483 2.350 0 40 FEAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21 21756731 LPFGJZHJTCSLNS-UHFFFAOYSA-N 366.464 2.475 0 40 FEAB COc1ccc(OC)c(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 19551649 WHSHOUFKIFPPNU-CQSZACIVSA-N 354.454 2.129 0 40 FEAB CCSc1nnc(NC(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)s1 13578848 RNONQDQEOMMWEW-ZCFIWIBFSA-N 367.485 2.436 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 95775473 DDWOAECQYPSHMZ-KBPBESRZSA-N 364.398 2.375 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 40120112 LPMXMVPDFSGFSE-SNVBAGLBSA-N 374.268 2.095 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COCC(F)(F)F 40129044 KSHXLBQTNHBKOZ-UHFFFAOYSA-N 351.277 2.008 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@@]23C=C[C@H]1O3 100886391 OFEIMXRKQMBMPZ-WBOJAVRRSA-N 351.761 2.329 0 40 FEAB aggregator CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 20426917 PDOQSXLVRMRCJP-UHFFFAOYSA-N 372.402 2.280 0 40 FEAB CSc1ncc(Br)c(C(=O)N[C@@H](CC(C)C)C(=O)O)n1 41097686 VMEBFINBKGXJAV-QMMMGPOBSA-N 362.249 2.190 0 40 FEAB C[C@@H](OCC(F)(F)F)C(=O)NCCc1cc(F)cc2c1OCOC2 52901791 PWLRENBFUAUNER-SECBINFHSA-N 351.296 2.318 0 40 FEAB Cc1cccc(NC(=O)COc2ccc(CCNS(C)(=O)=O)cc2)c1 53691634 SLTGPSDYIUKVQC-UHFFFAOYSA-N 362.451 2.104 0 40 FEAB CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)OCc1ccccc1 1576181 BHYPYZSIYBMNIK-KRWDZBQOSA-N 370.405 2.067 0 40 FEAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 79108012 XIFSBSSFCNMMOE-UHFFFAOYSA-N 359.329 2.261 0 40 FEAB CC(=O)NCCc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 23751367 FCSPCJITSMXIPM-UHFFFAOYSA-N 354.406 2.366 0 40 FEAB O=S1(=O)C[C@H]2SC(=S)N(c3cccc(Br)c3)[C@@H]2C1 4883572 NWJUKTDRHCWACL-NXEZZACHSA-N 364.311 2.453 0 40 FEAB CCc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807339 PERQVSGCOZXWKW-QWHCGFSZSA-N 356.426 2.500 0 40 FEAB COC(=O)Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 7029836 SOMPHDMKCYKSKH-JTQLQIEISA-N 371.418 2.330 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)ccc1F 7522927 ULCFUUHGBOXRJN-UHFFFAOYSA-N 356.762 2.435 0 40 FEAB COC[C@@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 7985786 ICQBUDFMBOWORM-CQSZACIVSA-N 372.421 2.477 0 40 FEAB COc1ccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC 101039185 HRDVPEGYZCNYSZ-LSDHHAIUSA-N 365.474 2.303 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 26904588 SVRYITVLPLCSHW-UHFFFAOYSA-N 352.390 2.457 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 12613477 PIXMIASQLILJNX-FOIQADDNSA-N 373.453 2.253 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)c1 58195060 LNPWWDNHCOPWMV-KRWDZBQOSA-N 364.467 2.055 0 40 FEAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)Nc1sccc1C(N)=O 58290474 KVZPQOUCOQANSA-CYBMUJFWSA-N 361.467 2.493 0 40 FEAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H](c1ccccc1)n1cccn1 58267818 JTUQEZQPYBOEIJ-LJQANCHMSA-N 358.405 2.370 0 40 FEAB COc1ccc2[nH]cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1 44901455 LLHZNVYUVYJHPY-UHFFFAOYSA-N 363.417 2.499 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 10391395 CADCZFDGTXZEKU-UHFFFAOYSA-N 372.450 2.146 0 40 FEAB O=C(c1cccnc1Sc1ccc2c(c1)OCCO2)N1CCOCC1 12752456 OKKLNPVWZJIDNB-UHFFFAOYSA-N 358.419 2.476 0 40 FEAB COC(=O)C1=NO[C@@H](C(=O)OCc2csc(-c3ccsc3)n2)C1 75607314 HTPOLMXORHREND-LLVKDONJSA-N 352.393 2.233 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 105331059 FQQHFOVURRVTII-DOTOQJQBSA-N 358.438 2.156 0 40 FEAB Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 3343694 PSKHRJWIYZFUAD-UHFFFAOYSA-N 365.480 2.491 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C1 45824927 DFURPGGNABWBEY-INIZCTEOSA-N 372.469 2.389 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755372 ZEJIRIINQSRTIQ-JTQLQIEISA-N 357.482 2.244 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 29835934 HJLFUWASFISRHP-RDTXWAMCSA-N 357.429 2.363 0 40 FEAB Cc1nnc(SCn2nnc3ccccc3c2=O)n1Cc1ccccc1 2641416 NIILXJOXYBWEGD-UHFFFAOYSA-N 364.434 2.490 0 40 FEAB CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@]2(N3CCOCC3)CCC[C@@H]12 12984561 SAUJWPGRQPADBG-LPHOPBHVSA-N 361.417 2.393 0 40 FEAB CC(C)C[C@H](N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 12915654 XZCQBYIDHKADIL-JQHSSLGASA-N 366.527 2.397 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(=O)[nH]1 12905612 QKLQWKBUEKCBKW-ZDUSSCGKSA-N 373.840 2.314 0 40 FEAB COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)nn1 95478112 HJAZDVLETMAEAN-AWEZNQCLSA-N 369.425 2.299 0 40 FEAB CCCOCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4038336 BHNBFUSMTCKEQF-NRFANRHFSA-N 369.465 2.427 0 40 FEAB biogenic CCc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cc1 306127682 GETASFKCPCGMSS-DLBZAZTESA-N 365.481 2.037 0 40 FEAB CCc1[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1C(=O)OC 14180772 SFCKTHPUESUZPW-JTQLQIEISA-N 363.370 2.153 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 5797631 QXPJCWFUWFVAIS-HXUWFJFHSA-N 373.453 2.255 0 40 FEAB O=C(Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9364393 RREMJJULEJOUQE-UHFFFAOYSA-N 363.414 2.364 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccco1 7185774 ZATUDWRNYUIWAZ-RNODOKPDSA-N 367.405 2.240 0 40 FEAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCNC1=O 7228806 MNVFHYNZWFZLKK-SECBINFHSA-N 357.395 2.250 0 40 FEAB CCOc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1OCC 7927677 JSLYLXMFDRKXKI-UHFFFAOYSA-N 366.443 2.196 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1cccs1 8707181 RVNVKIPILWVLOC-BLVKFPJESA-N 369.446 2.319 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)Nc1ccc(F)c(F)c1 8709171 MAMPIKHBRCJKOS-UHFFFAOYSA-N 362.332 2.033 0 40 FEAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)C1 92569580 XJNXCQFHAHYUAZ-ATZDWAIDSA-N 372.490 2.484 0 40 FEAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20044259 NOQJVUVHBXRDNW-INIZCTEOSA-N 364.511 2.487 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 306124411 BPEYMVBNGMGNCZ-HUUCEWRRSA-N 369.444 2.004 0 40 FEAB CC[C@@H](C)CNC(=O)c1ccc2ncc(N3CCN(C(C)=O)CC3)nc2c1 306140334 UQGKWYRKPLTZPA-CQSZACIVSA-N 369.469 2.074 0 40 FEAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1N1CCCC1=O 20107718 DOZIJNBGHSFCKW-UHFFFAOYSA-N 352.456 2.433 0 40 FEAB CCC(CC)(NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)C(=O)OC 512491231 SHGOSGBRFQYYQM-INIZCTEOSA-N 364.442 2.111 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 79440285 MYVIGGGVAAROKN-BBRMVZONSA-N 362.426 2.342 0 40 FEAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 48340784 NQKTVVGPSUPLOC-UHFFFAOYSA-N 365.407 2.438 0 40 FEAB COc1cc(N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)ncn1 49401970 GXKVNWCXXGFBSQ-UHFFFAOYSA-N 372.425 2.358 0 40 FEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1CCOC 223002018 QBMBWJBRDCLPSF-IRXDYDNUSA-N 360.483 2.148 0 40 FEAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1ccsc1 77154862 OYQWODJHFVSJED-UHFFFAOYSA-N 369.493 2.307 0 40 FEAB CCN1CCN(Cc2ccc(CNC(=O)c3cccc(C)n3)cc2)CC1 40115246 LVBZPGHBHNTSNS-UHFFFAOYSA-N 352.482 2.458 0 40 FEAB CN(Cc1cn2c(n1)CCCC2)C(=O)c1cnc(-c2cnn(C)c2)s1 576638721 WRUVPELDTVOEQE-UHFFFAOYSA-N 356.455 2.349 0 40 FEAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NC[C@H]1CCCO1 96118881 ZYELDRJZKWQGGC-CYBMUJFWSA-N 353.378 2.129 0 40 FEAB Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@H]3COc2ccccn2)s1 96218545 XZBLYHSTMLMEHZ-HNAYVOBHSA-N 357.479 2.469 0 40 FEAB CN1CCN(C[C@@H]2CCC[C@]3(CCN(CCc4ccccc4)C3)O2)CC1 96207212 JFBCGJZIVLJIBP-FCHUYYIVSA-N 357.542 2.490 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96048640 LTVUSTKMZSGSAM-FQEVSTJZSA-N 350.422 2.132 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccco2)cc1 583621829 YNLYZRHYNHDGKA-DOTOQJQBSA-N 351.424 2.349 0 40 FEAB O=C(COc1ccccc1)N1CCc2ncnc(NC3CCC3)c2CC1 96255793 RYRGSLFWZMCSOQ-UHFFFAOYSA-N 352.438 2.447 0 40 FEAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccc4ccccc4n3)CCO2)C1 96076585 GIJMLZBQPJWZPW-OAQYLSRUSA-N 369.465 2.187 0 40 FEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 96043367 DQVYHAHQWIXZRT-CEXWTWQISA-N 352.438 2.342 0 40 FEAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)cs1 248045679 QFGFQEPPKSDLQH-CYBMUJFWSA-N 362.480 2.158 0 40 FEAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3ccccc3)C2)OC1 248157476 WDLNNYMXWVBKKZ-GOSISDBHSA-N 353.466 2.436 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3ccc4oc(=O)n(C)c4c3)CCO2)ccn1 257209225 BPMNNQKDHJUFBN-KRWDZBQOSA-N 353.378 2.049 0 40 FEAB Cc1ncc(CNS(=O)(=O)c2cccs2)c([C@H]2CCCN2C)n1 257258024 KSBRPFIOZBFKHN-CYBMUJFWSA-N 352.485 2.092 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N(CC(=O)O)C3CCC3)cc2)co1 653495272 DMUAKKPIIAVRKH-UHFFFAOYSA-N 350.396 2.278 0 40 FEAB COc1c(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2C2CC2)oc2ccccc12 663227363 QNJUKHGUMQSLLB-KBPBESRZSA-N 358.394 2.138 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCN(Cc2ccccn2)CC1 667491237 HMVAWBPXWMEPLK-FXAWDEMLSA-N 355.486 2.101 0 40 FEAB Cn1cncc1[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1CNC(=O)C1(C)CC1 1775962803 HOXCQPNTKHEFAH-IAGOWNOFSA-N 366.465 2.192 0 40 FEAB Cc1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)OCCO)cc1 96338227 HTZGERFNWWDFEZ-IBGZPJMESA-N 374.481 2.168 0 40 FEAB CCCCOc1ccc(NC(=O)N2CCC3(CC2)OCC(=O)N3C)cn1 1615589319 KMCGRBUBIUPFKD-UHFFFAOYSA-N 362.430 2.073 0 40 FEAB Cc1ccnc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2ccc(C)o2)n1 585094731 JPAZUDTXMHAGEN-HNNXBMFYSA-N 353.426 2.426 0 40 FEAB C[C@H]1c2ncc(CCOCC3CCOCC3)n2CCN1Cc1cn[nH]c1 585097261 HDHRZVKPJBIQRS-HNNXBMFYSA-N 359.474 2.169 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccnc1-n1cccn1 31227479 MTUOZZCENAEUJV-GUYCJALGSA-N 350.378 2.112 0 40 FEAB Cc1ccc2c(CC(=O)NCc3ccc(S(N)(=O)=O)s3)coc2c1 43949059 JVVRSDUPNYMHHO-UHFFFAOYSA-N 364.448 2.309 0 40 FEAB O=C(O)c1nc(-c2ccccc2)oc1CN1CCN(c2cnccn2)CC1 517948426 FTHNFFVXMJWILM-UHFFFAOYSA-N 365.393 2.152 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 12145148 WHTWHAARRPNJRW-GJZGRUSLSA-N 354.454 2.113 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3)n2)o1 12182860 SXQFSJAOCNJXBV-CQSZACIVSA-N 366.421 2.314 0 40 FEAB O=C1CC[C@@H](c2nc(C3CCN(C(=O)Cc4cccs4)CC3)no2)N1 13266449 ZLEAREGNVIKXCI-ZDUSSCGKSA-N 360.439 2.031 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)C2CCCCC2)CC1 13555832 GPUNBVSXFWAYQC-UHFFFAOYSA-N 355.548 2.448 0 40 FEAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccccc1 13639281 BMGSRAYNPOAETF-UHFFFAOYSA-N 364.453 2.050 0 40 FEAB Cc1ccc(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1C 18023638 YYTNXWCROAFFDK-UHFFFAOYSA-N 359.426 2.214 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cnn1C 19553169 KMMFFSWVRWAOOG-GFCCVEGCSA-N 369.450 2.170 0 40 FEAB CN(C)c1nc2ccccc2cc1CN1C[C@H]2CCCN2C[C@@H]1CCO 19584047 BNSCGDLQHLMMGT-MOPGFXCFSA-N 354.498 2.332 0 40 FEAB COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C(=O)O)cc(Br)c1F 601996068 ZDSVWZFHBHLMMS-BQBZGAKWSA-N 360.135 2.034 0 40 FEAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(N3CCOCC3)nc2)on1 19123950 KDHGQOFEIQNBBC-UHFFFAOYSA-N 366.425 2.405 0 40 FEAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncnc3sccc23)CN(C)C1=O 1888918107 PAGPQAOZDXICPD-KYBDBFLBSA-N 358.467 2.438 0 40 FEAB COc1nn(C)cc1C(=O)N1CCC(COc2ccncc2Cl)CC1 1848826211 XFLAUVONQDNDKX-UHFFFAOYSA-N 364.833 2.408 0 40 FEAB CC(C)(F)C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037988690 DUJYJTOYXDPPDA-SFHVURJKSA-N 352.381 2.298 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 4373847 QQSJUAKFOOGLMX-INIZCTEOSA-N 371.412 2.482 0 40 FEAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2S1(=O)=O 4940761 LBZYAJRPGIOYLH-VIFPVBQESA-N 366.345 2.137 0 40 FEAB CC(=O)c1sc(NC(=O)CS(=O)(=O)Cc2ccccc2)nc1C 10619020 DBTOSKQKGAJJTK-UHFFFAOYSA-N 352.437 2.208 0 40 FEAB CCOCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1 12007673 AFNQTJIBZONYRH-UHFFFAOYSA-N 371.397 2.314 0 40 FEAB COC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 12440311 SERWQECAJWUDOF-UHFFFAOYSA-N 360.439 2.213 0 40 FEAB CCOCCCNC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C 51317608 ATILKSDBRGVDSN-UHFFFAOYSA-N 352.822 2.394 0 40 FEAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 32795404 VATWQLVFFSYZHR-LBPRGKRZSA-N 369.259 2.263 0 40 FEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 79102411 GLAWNHMRVCSFJK-HOCLYGCPSA-N 368.437 2.073 0 40 FEAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)c1 2685027 NDHTZOKAIHEIFY-UHFFFAOYSA-N 367.379 2.211 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NCc3ccccc3Cn3cccn3)cc12 23755482 XXXCIHOLOUMHOM-UHFFFAOYSA-N 360.421 2.452 0 40 FEAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3)n2)cc1OC 6677992 AXAUQJKDQGQLQR-UHFFFAOYSA-N 369.377 2.449 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 7077756 NRMGQWJJESJBJO-AWEZNQCLSA-N 356.488 2.305 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCOCC2)c1 24637327 MQLDNQWPTONSMO-UHFFFAOYSA-N 370.471 2.091 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 57440362 NKXOLZWDKAXFEV-UHFFFAOYSA-N 371.412 2.373 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)C1 25380714 MDVGOOQWYTXASE-QZTJIDSGSA-N 360.454 2.364 0 40 FEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 12600351 YNLWSWUBYSGEQR-UHFFFAOYSA-N 371.368 2.330 0 40 FEAB COc1cc(CN2C(=O)[C@H](C)NC2=S)ccc1OCc1ccncc1 55179053 CLNOBOBHCONUTD-LBPRGKRZSA-N 357.435 2.274 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NCCc3cc(F)cc(F)c3)cnc12 58197785 IXZIXODIPALEDN-UHFFFAOYSA-N 357.360 2.342 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CCCN(C(C)C)C3)cnc12 58175576 RNLPFOQLBJHDDD-QGZVFWFLSA-N 370.497 2.332 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1 58210373 KRWQQNBACAPEHI-JTQLQIEISA-N 352.378 2.457 0 40 FEAB CCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2156211 QLIDVPQYNLUXSC-HNNXBMFYSA-N 361.394 2.412 0 40 FEAB biogenic COc1ccc(CCNC(=N)NCc2ccc(OCCN(C)C)cc2)cc1 58342022 GOZABXDUNPMVFH-UHFFFAOYSA-N 370.497 2.492 0 40 FEAB O=C(NCCC(=O)N1CCCCCC1)NCc1ccnc(N2CCCC2)c1 58421007 ASCQHVQUURECMU-UHFFFAOYSA-N 373.501 2.274 0 40 FEAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 21915484 ZVHBLVKWHJSTLP-OAHLLOKOSA-N 356.378 2.456 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@@H]3O)s2)cc1 97165559 KJFUQMRVTDHREN-GJZGRUSLSA-N 360.483 2.170 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 24452246 KHDXCBQMQVQDED-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB COCCCCNC(=O)C1(NC(=O)c2n[nH]c3ccccc23)CCCC1 72301538 BUTJAEYYRQRWON-UHFFFAOYSA-N 358.442 2.148 0 40 FEAB COCCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2429541 WSFBQARXAQKKAT-LBPRGKRZSA-N 370.409 2.149 0 40 FEAB COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1OC(C)C 36733091 ATYUQRIDCJFQDY-UHFFFAOYSA-N 350.459 2.323 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1C 36726397 JDRJOKRFCOBCCQ-ZDUSSCGKSA-N 358.394 2.330 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 28196107 CZKLUZNWZAUYSF-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB O=C(CN1CCc2ccccc21)NCc1ccccc1CN1CCOCC1 24002154 SJQAUNUHEFTXFN-UHFFFAOYSA-N 365.477 2.198 0 40 FEAB CSc1ccc(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)o1 95463347 ONCLKEZOMQFNEF-UHFFFAOYSA-N 360.439 2.036 0 40 FEAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 408653448 JCHFCYAEKNCZNF-UHFFFAOYSA-N 372.377 2.061 0 40 FEAB CCN1CCN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22031271 GHROGGCQUFSVEG-CQSZACIVSA-N 361.446 2.362 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(F)c1)O2 38851084 AIGUCZVLSVOVSH-INIZCTEOSA-N 364.398 2.300 0 40 FEAB COc1cc(C)ccc1OCC(=O)NCc1ccc(OC)c(C(=O)O)c1 13392608 FCDZEZRAQVBETR-UHFFFAOYSA-N 359.378 2.406 0 40 FEAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)nc1 6107224 DGWIQHUWEOYXJF-CQSZACIVSA-N 353.403 2.497 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc2[nH]cnc2c1 39985635 NYPJELCWDDSXEF-KRWDZBQOSA-N 350.422 2.194 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccccc3c2=O)c1C 5316155 AUKKRGDLSISVNO-UHFFFAOYSA-N 353.378 2.401 0 40 FEAB CS(=O)(=O)N1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 14163854 DKXIVPSFYJENFF-UHFFFAOYSA-N 364.492 2.036 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(F)cc1)C2=O 14264753 GRKBKRDLJDUSDX-UHFFFAOYSA-N 361.417 2.285 0 40 FEAB COc1cc2c(cc1OC)[C@@H]1N(CC2)C(=O)CC12C(=O)CC(C)(C)CC2=O 5414983 LLTMLVOHVZYNRZ-IBGZPJMESA-N 371.433 2.478 0 40 FEAB biogenic O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN1C(=O)c1cccs1 6558722 IXJJNDWXRRKJMJ-KGLIPLIRSA-N 372.446 2.309 0 40 FEAB Cc1nnc([C@@H](C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)o1 66884582 LSVOXEVIGVMZMJ-OAHLLOKOSA-N 369.469 2.036 0 40 FEAB CCc1ccc(NC(=O)[C@@H](CC)n2nnc(C(=O)OC)c2C(=O)OC)cc1 4969620 HTVPIMMBOMYQQV-CYBMUJFWSA-N 374.397 2.004 0 40 FEAB O=C(c1ccsc1)N1CCCN(C(=O)c2ccc3nccn3c2)CC1 68291877 UNBNPTGPTMUKNQ-UHFFFAOYSA-N 354.435 2.384 0 40 FEAB C[C@H](NC(=O)NC[C@@H](C)CN1CCCC1=O)c1ccc2c(c1)CCC(=O)N2 84638371 DDCHLIPERPXTQN-KGLIPLIRSA-N 372.469 2.190 0 40 FEAB CCCN1C(=O)[C@](NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1 19939468 QGIFUKRZZPBWQF-INIZCTEOSA-N 353.344 2.470 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2nccn2C)cc1Br 8134584 NFBRYJNVLOJFMX-UHFFFAOYSA-N 374.260 2.012 0 40 FEAB CC1CCN(c2ccc(CNC(=O)NCCC(=O)NC(C)C)cn2)CC1 71925841 VIDPSMVZASQMIY-UHFFFAOYSA-N 361.490 2.032 0 40 FEAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 69260761 ADMNMSGFIBHPRG-SFHVURJKSA-N 362.376 2.265 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)C[C@H]1CCCO1 8314793 HDDDNPUXYSFELJ-CQSZACIVSA-N 369.512 2.468 0 40 FEAB C[C@H]1CO[C@H](CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95421446 ZSZOGTCVAAPLBZ-JQWIXIFHSA-N 354.332 2.143 0 40 FEAB COCCNC(=O)CNC(=O)COc1cc(C)c(Cl)cc1C(C)C 8777216 XTQMSFSZSCQQBY-UHFFFAOYSA-N 356.850 2.029 0 40 FEAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N3CCCC[C@@H]3C)n2)c1 18664721 LCDDPAGSPLYTCI-AWEZNQCLSA-N 371.441 2.306 0 40 FEAB O=C(N[C@H]1CCOC[C@]12CCN(C(=O)c1ccccc1)C2)N1CCCC1 306131771 KPJBINPSWBYEOD-FXAWDEMLSA-N 357.454 2.113 0 40 FEAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cccc(Br)c1 89774386 RMQLHHXXVVSGRJ-ZDUSSCGKSA-N 369.284 2.490 0 40 FEAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1OC 22769574 KEOFCJYRDRYAFS-HNNXBMFYSA-N 360.410 2.100 0 40 FEAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(F)cc1 409220152 UUVRVWJKBFJICX-UHFFFAOYSA-N 368.320 2.051 0 40 FEAB C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 408999395 CQLAYWZXNFVFAW-HFTRVMKXSA-N 354.406 2.498 0 40 FEAB Cn1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306136020 PGTAOGKHBYFQAV-YLJYHZDGSA-N 354.454 2.241 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C2CN(c3ccc(C(=O)O)cc3)C2)CC1 2362803868 WTKJHBDIDDORQB-UHFFFAOYSA-N 361.442 2.126 0 40 FEAB Cc1cc(CCNC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)on1 565469547 XWVVOKCNCHGUSP-IBGZPJMESA-N 355.394 2.345 0 40 FEAB CC(=O)O[C@H]1[C@@H]2C(C)(C)CCC[C@]2(C)[C@H](/C=C/C(=O)O)[C@@](C)(O)[C@@H]1O 72320311 OZESVNMBZAEFCX-IHOXJWEWSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro O=C(c1cnccn1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377789 PQBDPTXYASKEJN-OAHLLOKOSA-N 362.397 2.168 0 40 FEAB O=C(NCc1nc2ncccn2n1)NCC1CCc2ccccc2CC1 528014484 DVAGILSNRKEKSF-UHFFFAOYSA-N 350.426 2.119 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c1 44790225 JERXLLZACYQLLQ-UHFFFAOYSA-N 373.390 2.002 0 40 FEAB COc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(C)(=O)=O 44840535 HCSIZNLKQHGBJB-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1OC 44577480 OSHQAIBQJBAWFJ-OAHLLOKOSA-N 356.426 2.027 0 40 FEAB Cc1c(NC(=O)c2csc(S(N)(=O)=O)c2)cnn1C1CCCC1 192994538 DMRQZFJXVYSATA-UHFFFAOYSA-N 354.457 2.268 0 40 FEAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccn1)CC2 96260549 SRLOQDCBECNYEV-UHFFFAOYSA-N 365.481 2.259 0 40 FEAB Cc1cc(CN2CCOC[C@H]2c2nccc(Nc3ccccn3)n2)no1 96218031 MQAZYRYHVIYVGP-HNNXBMFYSA-N 352.398 2.485 0 40 FEAB CCN1C[C@H]2CCN(C(=O)Nc3ccc(F)cc3)CC[C@H]2S1(=O)=O 96263743 AUFHFUQGABHWJG-IUODEOHRSA-N 355.435 2.104 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CC2(C[C@H](OCC3CC3)CCO2)C1 247961890 YCHMZNCWTCHJNK-OAHLLOKOSA-N 359.422 2.258 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CCO3)C2)on1 247853154 BIZUUZJTEVODIY-MRXNPFEDSA-N 357.410 2.277 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cccc(COC)c2)n1 257220541 DLEFVYMFELGHMD-INIZCTEOSA-N 356.426 2.187 0 40 FEAB Cc1c(C(=O)NCCn2ccc(-c3cnccn3)n2)cnn1-c1ccccc1 253472832 PZWOATZRUDISBR-UHFFFAOYSA-N 373.420 2.264 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 257284001 PAVBMGRXHWNUIW-ZDUSSCGKSA-N 356.430 2.141 0 40 FEAB C[C@@H]1COc2ccccc2CN1C[C@@H](O)COc1ccc(C(=O)O)cc1 652443294 RPSVTCAKUIOGJK-RHSMWYFYSA-N 357.406 2.408 0 40 FEAB CO[C@]1(C(F)(F)F)CCCN(C(=O)C(=O)Nc2cccc(F)c2F)C1 682066048 CWKZNZJWZPXUFJ-CQSZACIVSA-N 366.286 2.473 0 40 FEAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(Br)s2)no1 299629941 KHLKQZWKOPGLFU-UHFFFAOYSA-N 366.262 2.416 0 40 FEAB O=C(Cn1ccc(C2CC2)n1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585281031 RUPJNBLNSUYKOR-VQIMIIECSA-N 357.429 2.352 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccc(=O)oc2)C[C@]12C[C@@H](c1ccccc1)CO2 585287949 JHFLXXSEAIEBQE-MBOZVWFJSA-N 355.390 2.054 0 40 FEAB C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096507 RCHQWHHGLVGBOF-LBPRGKRZSA-N 351.410 2.283 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCNC(=O)c1ccncc1 56217449 SEGBWIQJFYJJTM-UHFFFAOYSA-N 364.405 2.471 0 40 FEAB Cc1cc2ccncc2n1CC1(O)CCN(C(=O)c2ccncc2)CC1 12223107 QQVNBDIWWIMADH-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582708 MKOYGEUXCRRJBM-NSHDSACASA-N 358.460 2.018 0 40 FEAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCCc1cccs1 14001084 FRUZXWJZCHGDLB-UHFFFAOYSA-N 352.419 2.298 0 40 FEAB O=C(CCN1CCOCC1)N[C@H](Cc1ccsc1)c1nccs1 19406488 RCQOEHIWRYEFKV-CQSZACIVSA-N 351.497 2.327 0 40 FEAB COCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1 19592862 CEIPDAHWJXMXAQ-KRWDZBQOSA-N 370.424 2.256 0 40 FEAB COCc1nsc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 1888843476 AJFIIOXLQJOWLV-UHFFFAOYSA-N 374.392 2.128 0 40 FEAB CS(=O)(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888986174 NXAAUSZAMSVFMK-UHFFFAOYSA-N 369.450 2.226 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CCN(Cn2cnc3ccccc32)CC1 22310027 FYIYFGMOTPWHHN-UHFFFAOYSA-N 374.441 2.139 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245318953 YANRWBSULLZYRN-AXVVYFOYSA-N 368.518 2.353 0 40 FEAB CC(C)N1CCO[C@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@@H]2C1 1565546374 ZJZZIPMELLKLCX-KDOFPFPSSA-N 368.424 2.301 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1 1565546978 CSHXVMMOIGXJRY-UHFFFAOYSA-N 350.484 2.237 0 40 FEAB CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 4061360 INAJTNYUDSWRKB-UHFFFAOYSA-N 357.439 2.045 0 40 FEAB COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1 4270398 QWFIPILODUVTBA-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB COCCCn1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 15083275 OHWFHUKXYSFPOQ-UHFFFAOYSA-N 361.829 2.396 0 40 FEAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1 23157343 CATHIDBJMVNXPV-AWEZNQCLSA-N 362.430 2.490 0 40 FEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Oc2ncccn2)C1 575612037 IIKIVYHZELFWCU-GOSISDBHSA-N 363.421 2.405 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)n1cccn1 575613633 IUJBQJCDUKUXIJ-HNNXBMFYSA-N 372.425 2.106 0 40 FEAB O=C(Cn1nnc2ccccc21)NCc1nccnc1-c1cccs1 575620343 MFMPDQMAKHOYFE-UHFFFAOYSA-N 350.407 2.266 0 40 FEAB Cn1cccc1-c1noc(CNC(=O)c2cc(-c3cccs3)n[nH]2)n1 225767288 NQGSBVYZBGJULV-UHFFFAOYSA-N 354.395 2.457 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2F)C1 24381392 HTFLKZIAZPVWGN-CQSZACIVSA-N 370.380 2.266 0 40 FEAB O=C(NCCCn1ccnc1)C1CCN(c2nc3ccccc3o2)CC1 40039579 VSXZDEMSCMXCEH-UHFFFAOYSA-N 353.426 2.447 0 40 FEAB O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N(C[C@H]2CCOC2)C2CC2)C1 40107957 XKTUPNVEMWKVJA-RTBURBONSA-N 370.493 2.495 0 40 FEAB CCOc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 31212781 JAFJEXFXGOATAG-QGZVFWFLSA-N 367.449 2.487 0 40 FEAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(Cl)c1C 32418055 UUFOXBCCUBQHEX-LBPRGKRZSA-N 363.888 2.318 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)CCC(=O)N2 32836593 YCNNCASDQJTRPV-HNNXBMFYSA-N 352.390 2.483 0 40 FEAB Cc1nn(-c2ccccn2)c2ncc(C(=O)/N=c3/sccn3C)cc12 32915789 XOOJAGCHUNAVER-LVZFUZTISA-N 350.407 2.265 0 40 FEAB CN(Cc1ccsc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 22242118 ZLGSNVDHLJRZPZ-UHFFFAOYSA-N 366.508 2.401 0 40 FEAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2nc(C)c3ccccc3c2=O)cc1 42185164 GLLYRMCNFLSSJH-INIZCTEOSA-N 367.405 2.103 0 40 FEAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)C1CC1 705724 LMMKUHMQSOHSEB-BTRQGYIVSA-N 358.397 2.320 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccs4)n(C)c3nc12 2917336 DZEOWXGJJYKXJC-UHFFFAOYSA-N 352.419 2.486 0 40 FEAB CC(=O)NCc1ccc(C(=O)COC(=O)Cc2csc(C)n2)s1 23274318 NTGNAHZMMOCXIB-UHFFFAOYSA-N 352.437 2.118 0 40 FEAB O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCN2CCC[C@H]2C1 2770805 CNTOBWGQXPVWRS-LBPRGKRZSA-N 361.396 2.465 0 40 FEAB CCn1c(Oc2ccc3ccccc3c2)nc2c1c(=O)n(C)c(=O)n2C 4386734 MVAOPLFFBBUKMR-UHFFFAOYSA-N 350.378 2.399 0 40 FEAB COc1ccccc1[C@H]1c2cc3c(cc2O[C@@]2(OC)COC(=O)[C@H]12)OCO3 4571073 WRLLJZYUHKBCFJ-BJLQDIEVSA-N 370.357 2.464 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O 6182190 ZGSRHTKVWCXJOD-UHFFFAOYSA-N 360.863 2.173 0 40 FEAB CCCOc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1OCCC 9468413 FYNUTUFXEKPCJK-UHFFFAOYSA-N 363.439 2.091 0 40 FEAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccn4)CC3)n2)cc1 12759168 IHGSJDQZLUJBSU-UHFFFAOYSA-N 363.421 2.398 0 40 FEAB CC(C)c1noc(CN2CCN(C(=O)c3cc(F)ccc3F)CC2)n1 58194361 NBLBGJXDAHOCKH-UHFFFAOYSA-N 350.369 2.429 0 40 FEAB CCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58200892 NDWQFTTWCJZFLR-CQSZACIVSA-N 366.405 2.018 0 40 FEAB CC(C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 58281670 OEYHMGXLICJPRT-SFHVURJKSA-N 372.513 2.405 0 40 FEAB O=C(Cn1c(C2CC2)nc2ccccc21)NCCC(=O)N1CCCCC1 58314354 ZUFLNLKUVIOTST-UHFFFAOYSA-N 354.454 2.433 0 40 FEAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2OCC)cc1 3379695 RSZRPDRFPCBFKW-UHFFFAOYSA-N 372.377 2.453 0 40 FEAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)s1 10627448 BSSHDRBDMNZPLQ-UHFFFAOYSA-N 359.860 2.412 0 40 FEAB CN(C)c1ccc(-c2nnc([C@H]3CCc4nnc(C5CC5)n4C3)o2)cn1 48303235 KJSIICBSBYDGFK-ZDUSSCGKSA-N 351.414 2.397 0 40 FEAB COc1cccc(NS(=O)(=O)c2cc(CC(=O)O)ccc2OC)c1 48356632 VBYYUFGTJDLZBT-UHFFFAOYSA-N 351.380 2.132 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(Oc2ncccn2)c1 48324718 ZDXIAAARWKWKRH-ZDUSSCGKSA-N 355.398 2.401 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 12893402 ODYDRYZSTPMACB-UHFFFAOYSA-N 358.423 2.180 0 40 FEAB COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCC(C(N)=O)CC2)cc1 12812356 QCPIDGVMTSPZEE-IBGZPJMESA-N 373.497 2.336 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(-n2cccn2)c1 48550710 YKZCASKNMJYRDI-UHFFFAOYSA-N 360.381 2.170 0 40 FEAB Cc1cc(C)n2ncc(C(=O)N(C)Cc3nc(C(F)(F)F)no3)c2n1 95448369 LEAFXENPCAPPDJ-UHFFFAOYSA-N 354.292 2.020 0 40 FEAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](Nc1ccc(C(F)(F)F)nn1)CCC2 96002472 HMERUAARHOBSEE-NSHDSACASA-N 368.363 2.270 0 40 FEAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 6059152 MRICABAPAXKYHG-SSDOTTSWSA-N 354.247 2.138 0 40 FEAB in-vitro CCS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)Cc2ccccc2)cc1 95424486 WVRHAHXCLRNFND-UHFFFAOYSA-N 361.419 2.207 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cccc(Br)c1 409381979 JLJKMQJHDLTDLE-BLTAXRJOSA-N 352.184 2.432 0 40 FEAB COC(=O)c1cc(OC(=O)c2cc(OC)cc(OC)c2)cc(C(=O)OC)c1 6545368 IRLBJTKVTKECEJ-UHFFFAOYSA-N 374.345 2.496 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 14665430 ONBUHLNCKODQST-UHFFFAOYSA-N 351.366 2.481 0 40 FEAB Cc1ccc(OCCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 5814557 UDVJHLYPXUQPCO-CQSZACIVSA-N 352.390 2.175 0 40 FEAB C[C@@H](C(=O)NC1CCCC1)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046641 IZEOJBQVJDBIEG-YVEFUNNKSA-N 368.437 2.078 0 40 FEAB COc1ccc(-n2ccc(C(=O)Nc3ccc(C(N)=O)cc3F)n2)cc1 80916697 NEISQDURJALMTL-UHFFFAOYSA-N 354.341 2.371 0 40 FEAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)c(Cl)c1 7883137 WOBUWVGGEWWBFF-LBPRGKRZSA-N 371.821 2.138 0 40 FEAB CC(=O)N1C[C@H](C(=O)Nc2nnc(CC(C)C)s2)Oc2ccccc21 7989750 KBIHMKDCXPPMNU-CQSZACIVSA-N 360.439 2.489 0 40 FEAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(N2CCCC2)cc1 8194206 BHQPEZVLQWNUJV-UHFFFAOYSA-N 364.409 2.280 0 40 FEAB O=C(NCCOc1ccccc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1 8150647 QVSJZTGHTVOSPV-INIZCTEOSA-N 356.397 2.369 0 40 FEAB O=C1CN(C(=O)CSc2ccc(F)c(F)c2)C2(CCCCC2)C(=O)N1 8251797 XZHRRUHOGBKTSL-UHFFFAOYSA-N 368.405 2.245 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1cccc(C(N)=O)c1 9602951 KQKIXCNTFONNMK-INIZCTEOSA-N 357.385 2.318 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318283 FVYKQEUUOFYYDP-CQSZACIVSA-N 361.442 2.219 0 40 FEAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1 69951128 WSKBQDGUMLNPCF-PBHICJAKSA-N 369.870 2.100 0 40 FEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 8745857 ITCSFQQZMJHCNO-HNNXBMFYSA-N 350.484 2.487 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(=O)NCC[C@H](O)C(F)(F)F)C(C)C)cc1 72288850 MXVFVAQVVWHHLK-UONOGXRCSA-N 360.376 2.179 0 40 FEAB CCC[C@H](C)CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1 172089589 OMWRFZTVEGOVBK-INIZCTEOSA-N 352.500 2.139 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 75566917 QRSKUGXYZGSRGE-MSOLQXFVSA-N 367.405 2.080 0 40 FEAB Cc1ccc([C@H](NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2)cc1 95997657 XUTNZWXHRWIRFF-UIAACRFSSA-N 366.461 2.476 0 40 FEAB CCn1cccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409103861 XEQDQHJLANQSNJ-LFIBNONCSA-N 352.394 2.348 0 40 FEAB CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccsc2)CC1 75097446 USFMJCXYGVREQF-GJZGRUSLSA-N 351.472 2.173 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1C 524733869 WVRDOLXPGVNBBA-UHFFFAOYSA-N 372.439 2.440 0 40 FEAB O=C(NCCN1C(=O)COc2ccccc21)c1ccc(-c2cn[nH]c2)cc1 1544636760 DMCSPGPZDNQHQW-UHFFFAOYSA-N 362.389 2.232 0 40 FEAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccccc1Cl 64871392 CABIIBJJDMMYDW-UHFFFAOYSA-N 353.769 2.336 0 40 FEAB CC[C@@H](C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325321 PCUYKWNEBCKZSD-NEPJUHHUSA-N 367.496 2.500 0 40 FEAB COc1cccc2c1CCN([C@H](C)C(=O)NCc1ccc(C(=O)O)cc1)C2 563282763 MVISZTJGPNKEKT-CQSZACIVSA-N 368.433 2.456 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CO)cc1 218486293 PMOJBOQRGQXDHQ-BBWFWOEESA-N 351.855 2.278 0 40 FEAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1CO 72321136 FYUGUPXSGHXDOR-VQIMIIECSA-N 372.421 2.449 0 40 FEAB biogenic,in-vitro NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218432449 SIKQPQOTOFKFHB-IKGGRYGDSA-N 351.855 2.217 0 40 FEAB NC(=O)C1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 225811316 NUCCPBJBGVKRMP-UHFFFAOYSA-N 362.817 2.047 0 40 FEAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223045733 LXKMTHYIRNHMIZ-HXUWFJFHSA-N 354.450 2.145 0 40 FEAB CC(=O)c1cn(CC(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 331572589 HSRWNFPXXHJDPI-KDOFPFPSSA-N 356.426 2.086 0 40 FEAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)c1ccccc1)CC2 96209179 GLFODPIAZHYUNN-SFHVURJKSA-N 356.466 2.424 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)CCO1 583650570 KTHHNSUNNDJPIK-NSHDSACASA-N 352.799 2.389 0 40 FEAB Cc1ccn(C[C@](C)(O)C(=O)Nc2ccc(-n3ccc(C)n3)cc2)c(=O)c1 585082171 VLCYFJWRKKDDLV-FQEVSTJZSA-N 366.421 2.041 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96065486 NWGSMJSKQZCWBA-SNRMKQJTSA-N 355.438 2.313 0 40 FEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 95480371 ABOYFUCRVXVHAI-CQSZACIVSA-N 356.817 2.212 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(CC(=O)O)cc2)[C@@](C)(O)C1 257300366 RUANIWFIQYIYJF-KXBFYZLASA-N 365.426 2.453 0 40 FEAB Cc1nn(C)c(C)c1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 257342245 ZNTHHBFURLVDJD-UHFFFAOYSA-N 356.518 2.343 0 40 FEAB CC(=O)N1CCCCC[C@@H]2N(CC(N)=O)[C@H](Cc3ccccc3)C[C@@]21C 257332483 XXMPJRCACWIBKF-DYXWJJEUSA-N 357.498 2.339 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N[C@H](C)c1ccccc1 260833599 ZPCDCGMXOZKYDV-SNVBAGLBSA-N 353.469 2.338 0 40 FEAB Cc1c(C(=O)NCc2cccc(N3CCOCC3)n2)cnn1C(C)(C)C 274811111 OWJIASIVQWBQAC-UHFFFAOYSA-N 357.458 2.108 0 40 FEAB Fc1cncnc1N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995838 LBMLYYYKGYAMMO-JTQLQIEISA-N 368.210 2.464 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H](C)O3)nn1C1CCCCC1 1615590563 LHOUOYUBYUJUIK-CQSZACIVSA-N 360.458 2.164 0 40 FEAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1ccoc1 96024202 NPZJPLDQTOFLAD-UHFFFAOYSA-N 366.421 2.015 0 40 FEAB CN(C)c1ccc([C@H]2CCCN2CC(=O)NCc2ccccc2F)nn1 643728736 JFGOVPZSFCJJIG-QGZVFWFLSA-N 357.433 2.135 0 40 FEAB O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(Cc2nc[nH]n2)cc1 1136566116 XPEKJBMKJNJNDG-UHFFFAOYSA-N 359.393 2.288 0 40 FEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(=O)O)ccc1OC 677996524 MZWFURIRXKCFIZ-UHFFFAOYSA-N 367.427 2.053 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnc2c(c1)COCC2 679120700 IKDNAARBVYWIEM-IBGZPJMESA-N 351.406 2.066 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112781 WJJGVXNSCFRBEE-OAHLLOKOSA-N 368.890 2.033 0 40 FEAB COCC[C@@H]1CCOC12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 585104748 LXDDAFKUSXMNMU-QGZVFWFLSA-N 367.511 2.498 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCCc3cc(F)cc(F)c32)CC1 26725823 DSTKQFAAFXUKLF-UHFFFAOYSA-N 352.381 2.129 0 40 FEAB O=C(N[C@H]1COc2ccccc2C1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 678354001 WOXYQTBHMPAGDE-UONOGXRCSA-N 372.371 2.438 0 40 FEAB O=C(c1cnn2cccnc12)N1CCN(CCSc2ccccc2)CC1 56950773 ZANGMCINPRPFAV-UHFFFAOYSA-N 367.478 2.279 0 40 FEAB O=C1C[C@H](Cc2ccc(NC(=O)[C@H]3CCOc4ccccc43)cc2)C(=O)N1 78850226 KTAWTQAEKWAIBN-YOEHRIQHSA-N 364.401 2.397 0 40 FEAB CCC[C@@](C)(NCC(=O)Nc1ccc(Br)cn1)C(=O)OC 84740010 PAEFXEHHEDBTEU-CQSZACIVSA-N 358.236 2.104 0 40 FEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc2nsnc2c1 12141996 LBZJBOXEFUIQGS-SNVBAGLBSA-N 354.391 2.418 0 40 FEAB COc1ccc(CC(=O)N[C@@H](C)Cn2c(=O)oc3ccccc32)cc1OC 12142025 QFUMYUDWRFSOHQ-ZDUSSCGKSA-N 370.405 2.359 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccncc3)CC1)O2 12225570 ORABZMAWOPLSRV-UHFFFAOYSA-N 351.406 2.187 0 40 FEAB Cc1ccc2c(c1)CCCN2CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 12540662 WVQGJZCVCKWBIJ-UHFFFAOYSA-N 373.478 2.424 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)Cc2ccccc2)Oc2ccccc21 13680244 NTFCFCNCKGHSIN-GOSISDBHSA-N 374.462 2.262 0 40 FEAB COc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC 15589232 PREDTORZXFRJSU-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)n1 19573304 WIIUYHUAQYXQKH-UHFFFAOYSA-N 365.437 2.143 0 40 FEAB CN(C)CC(=O)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696240 TUVDPZCSNDTSJB-FQEVSTJZSA-N 369.509 2.392 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CC(Cn2cc(Br)cn2)C1 1888870014 QIKFYARVTQMWQH-UHFFFAOYSA-N 367.247 2.342 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)c4cncc(O)c4)CC3)ccc2n1 1888881800 DTGAQJQOBQYGDD-UHFFFAOYSA-N 367.409 2.070 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC1CCN(CCn2cccn2)CC1 1849483742 LWAKQMRTRAENCQ-UHFFFAOYSA-N 351.454 2.314 0 40 FEAB O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037984946 SPODUYQMTGFEBL-QUCCMNQESA-N 351.450 2.378 0 40 FEAB Cc1ncnc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1C 1147064594 GHHTZNFYHYBUFU-QGZVFWFLSA-N 364.449 2.229 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1CCCN(c2ccc3nncn3n2)CC1 1565519468 PEOVOSBZOUZOEV-UHFFFAOYSA-N 370.844 2.059 0 40 FEAB COc1cnccc1C(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565555234 CGFLFIZINAQRFB-KBXCAEBGSA-N 373.478 2.125 0 40 FEAB O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(F)cc1 10381653 QQTWNYRCJDGBGU-UHFFFAOYSA-N 361.354 2.435 0 40 FEAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NCc1ccco1 16980773 ZVGHGGFLZAISPE-UHFFFAOYSA-N 369.425 2.031 0 40 FEAB CN(C(=O)[C@@H]1CCCCO1)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975906 PZSQHZPPKSNWHD-SFHVURJKSA-N 352.438 2.360 0 40 FEAB Cc1nnsc1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 207999885 SQAPZZKGHCTLGC-GFCCVEGCSA-N 357.395 2.135 0 40 FEAB Cn1cc(-c2ccc(CNC(=O)c3cccc4c3OCCO4)cn2)cn1 575617186 SZTLFBIBSZUFGR-UHFFFAOYSA-N 350.378 2.183 0 40 FEAB O=C(NCCOc1ccccc1)N1CCN(c2ccc(C3CC3)nn2)CC1 575620996 UPGKMMDOBZMHHD-UHFFFAOYSA-N 367.453 2.265 0 40 FEAB Cc1cc(-c2noc(CNS(=O)(=O)c3cccc4cccnc34)n2)no1 585149510 YONJLCYERNVGGT-UHFFFAOYSA-N 371.378 2.060 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cn1 606440597 HEEMGELJQWYGKN-LLVKDONJSA-N 369.493 2.222 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2NC1=O 32421431 VCJKGIJVBPNTLK-GFCCVEGCSA-N 367.409 2.051 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(NC(N)=O)cc1 32772557 KZEDJULBENFAIQ-UHFFFAOYSA-N 368.437 2.286 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NCc3ccc(-n4ccnc4)nc3)ccc21 33043746 UTUUJHOAGIDDRI-UHFFFAOYSA-N 361.405 2.106 0 40 FEAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 53023750 SFXOPQYDYAXVAC-GFCCVEGCSA-N 361.348 2.038 0 40 FEAB CC(C)n1nccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 22290083 GSCXIFOFOSWSMK-GFCCVEGCSA-N 362.455 2.427 0 40 FEAB CCCc1noc(CSc2nnc(COc3ccccc3F)n2N)n1 22761722 AYPSUNLGLJTZQF-UHFFFAOYSA-N 364.406 2.338 0 40 FEAB COc1ccc2c(c1)cc(C(=O)NCCC(=O)Nc1nccs1)n2C 12324940 PNESGJDBYPQCCF-UHFFFAOYSA-N 358.423 2.402 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 900123 KTCIFXORBRJBMX-UHFFFAOYSA-N 364.854 2.487 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(F)cc3)s2)cc1 105630206 ZNWLAARLILRYAR-IWSCKCOWSA-N 355.390 2.076 0 40 FEAB Cc1cccc(N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1 12533749 YVRICSFLWYPAPZ-UHFFFAOYSA-N 351.450 2.003 0 40 FEAB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 1457618 DGLZYEZCXCAJDK-UHFFFAOYSA-N 361.394 2.322 0 40 FEAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@H]1COc2ccccc2C1 43811189 SPEQORQFIATABK-LJQANCHMSA-N 365.477 2.176 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 108150345 CYPQQUHJHXLTMT-CXAGYDPISA-N 372.469 2.286 0 40 FEAB Cn1c(=O)n(CC(=O)OCc2nc(-c3ccsc3)no2)c2ccccc21 9961374 CJMKSNAGTMBDAP-UHFFFAOYSA-N 370.390 2.195 0 40 FEAB CCc1c(C(=O)NCc2c(C)nn(CCOC)c2C)[nH]c(C)c1C(C)=O 58160299 SPXRASQSIXZVNI-UHFFFAOYSA-N 360.458 2.478 0 40 FEAB C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@H](CCO)c1ccccc1 97164809 AUIZEZYAVDXLJZ-XJKSGUPXSA-N 356.426 2.033 0 40 FEAB Cc1c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)ccn1CCO 44919464 IKZPZDWDYGHMIJ-UHFFFAOYSA-N 370.327 2.185 0 40 FEAB CCn1cnnc1CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58343896 DVWKREAYVFZHPZ-KRWDZBQOSA-N 356.474 2.009 0 40 FEAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O)c1cccs1 2391380 RVRBPFFTBVKWAD-ZDUSSCGKSA-N 373.312 2.286 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2C(=O)COc3ccccc32)n1 48333701 RMCZGQUEUXMXLT-AWEZNQCLSA-N 370.453 2.068 0 40 FEAB O=C(Nc1nnc(-c2ccccn2)s1)N(CCCO)Cc1ccncc1 72311304 AWXTUSWHPPCUKC-UHFFFAOYSA-N 370.438 2.412 0 40 FEAB Cn1cccc1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 3532074 WDHRUKOPLBTCJA-UHFFFAOYSA-N 362.183 2.153 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccc(Cl)cc1 3518224 RUHLDNDQRWBDCO-UHFFFAOYSA-N 353.835 2.166 0 40 FEAB CC(C)CCNC(=O)[C@H](C)N1CCn2c(CCc3ccccc3)nnc2C1 72308578 QCZPTWWUPHNDSO-KRWDZBQOSA-N 369.513 2.430 0 40 FEAB CN(C)C1(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCOCC1 72310193 RBPVJSZNIJRQLA-SFHVURJKSA-N 363.477 2.017 0 40 FEAB Cc1nn(C[C@H](C)C(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1Cl 6921015 WVZXQEDYLXQXRX-JVXZTZIISA-N 352.744 2.258 0 40 FEAB O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7264569 SVOVOLLYBJLGON-UHFFFAOYSA-N 366.483 2.160 0 40 FEAB CCOc1ccccc1OCC(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 15617050 OUJVGTXBQYGAHK-GOSISDBHSA-N 370.405 2.004 0 40 FEAB O=C(NCCSc1nncn1CC(F)(F)F)OCC(F)(F)F 68051586 DMPDLARJNVCSEY-UHFFFAOYSA-N 352.260 2.221 0 40 FEAB CC(C)[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(N)=O 7860763 LNLHQGMOLGKXCK-CYBMUJFWSA-N 360.439 2.043 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)no1 8326262 RFEARUXSEOXOKC-VIFPVBQESA-N 355.445 2.156 0 40 FEAB COCCN(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O 8486204 UIYFDERREJXJJW-UHFFFAOYSA-N 369.396 2.211 0 40 FEAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 17304731 JGMCSGOUGGPRIW-UHFFFAOYSA-N 356.378 2.225 0 40 FEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N=c1[nH]c2ccccc2[nH]1 17304478 DRCWDYIBUJGDMA-ZDUSSCGKSA-N 358.423 2.068 0 40 FEAB COCCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8765187 MUJZNGQTVHETEN-MRXNPFEDSA-N 357.454 2.102 0 40 FEAB biogenic CCOc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 8754717 HBEVVJHKFCIZKW-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB CCCNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)c2ccccc2O1 8748925 BZOICBMIIABIIE-KRWDZBQOSA-N 357.410 2.154 0 40 FEAB Cc1cc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)no1 74560627 OVUOVRGRDHVJRO-UHFFFAOYSA-N 353.382 2.377 0 40 FEAB CCOC(=O)C1=CN2C(C)=CC=CC2=C(C(=O)OCC)[C@@H]1C(=O)OCC 25630396 JCZPDXJUNFTQLH-OAHLLOKOSA-N 361.394 2.219 0 40 FEAB Cc1csc(N2CCCN(C(=O)c3cccc(-n4cccn4)n3)CC2)n1 76584200 GRWCLCJKQCGQJB-UHFFFAOYSA-N 368.466 2.385 0 40 FEAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCOCC2)cc1OC 20451908 QRMVOJMVRRUHCP-AWEZNQCLSA-N 368.499 2.023 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493456 WZXDPBVLTSJQTI-ACJLOTCBSA-N 372.446 2.191 0 40 FEAB O=C1CN(C2CCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 63367810 NHHNVIFGYCMSMZ-HZPDHXFCSA-N 368.886 2.097 0 40 FEAB Cc1ccn(C[C@@](C)(O)C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)c1 547736686 YXFVQVIEOGULLK-AMSLAILPSA-N 358.482 2.096 0 40 FEAB CN1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1ccnnc1)C2 306138950 SLJULFWUYDYUJY-QGZVFWFLSA-N 358.486 2.220 0 40 FEAB O=C(O)C[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 550856796 XFZOFWRFKCPARF-KRWDZBQOSA-N 371.418 2.367 0 40 FEAB CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H](/C=C/C(=O)O)[C@@](C)(O)[C@@H]1O 72320313 OZESVNMBZAEFCX-SEYBXVJYSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro COc1ccc2c(ccn2CCNC(=O)c2ccc(-n3cnnn3)cc2)c1 71279460 OPAJHYIGGUCRRI-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)CCC3CCCC3)C[C@H]1CC2 72391360 ADPYBLNTJCFCSZ-MJGOQNOKSA-N 372.513 2.478 0 40 FEAB N[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218637120 GJRVVXVSWMWEFA-PMPSAXMXSA-N 355.818 2.109 0 40 FEAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCOC[C@@H]1c1ccccc1 329618337 SWBPRSJFZCNNFN-QZTJIDSGSA-N 354.406 2.463 0 40 FEAB COc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1 224567221 LLGIOMOODIISAJ-UHFFFAOYSA-N 362.451 2.404 0 40 FEAB CC(=O)Nc1nc(CC(=O)NCc2nc(-c3ccccc3)no2)cs1 44174706 OHGBVCJGECVERF-UHFFFAOYSA-N 357.395 2.010 0 40 FEAB COc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 197797119 AVEPCAMIYFKQAQ-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB C[C@H]1CCCN(Cc2ccc(CNC(=O)N3CC(=O)N(C4CC4)C3)cc2)C1 578602259 HQEUOPIMUKHDMO-INIZCTEOSA-N 370.497 2.392 0 40 FEAB O=C(Cc1ccco1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96215060 VVDJTFQAOQTBSM-VQIMIIECSA-N 356.426 2.264 0 40 FEAB CC1(C)CC(NC(=O)Nc2nnc(C3CCOCC3)s2)CC(C)(C)N1 333625166 GVFUHPIMXTZPTB-UHFFFAOYSA-N 367.519 2.863 0 40 FEAB CCN1CCc2noc(C3CCN(C(=O)[C@H]4C[C@H]5C=C[C@H]4O5)CC3)c2C1 249681563 BOYUYNNQPXPLPI-RVKKMQEKSA-N 357.454 2.102 0 40 FEAB COc1cccc2c(C(=O)N3CCN(Cc4cccnc4)C[C@@H]3C)n[nH]c12 585084691 UGZNGERXTMCVSX-AWEZNQCLSA-N 365.437 2.313 0 40 FEAB Cc1cc(N)cc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257262428 LLJNKHIOKXXHHB-OAHLLOKOSA-N 359.430 2.011 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2c(C)oc3c2CCCC3)n1 257206137 BCAIRPRIOWSESN-OAHLLOKOSA-N 357.410 2.485 0 40 FEAB CO[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@]12CCCO2 257342030 ZMUDNGSEWYTHHJ-QAPCUYQASA-N 370.396 2.496 0 40 FEAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 252014364 UTTOYOQLBGFTNP-HNNXBMFYSA-N 366.425 2.267 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(c3ncccn3)CC2)c1 1123955352 RXUJTPLPEZOPSN-UHFFFAOYSA-N 352.394 2.327 0 40 FEAB C[C@]1(C(F)F)CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 661327590 OKGGUYDFYQORBG-SUMWQHHRSA-N 357.376 2.470 0 40 FEAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(F)cc1F)C2 585112313 OKESXXGDLDXFGY-NSHDSACASA-N 365.380 2.276 0 40 FEAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)CN(Cc1ccco1)C2 585110900 XGMGHASAKJQPEZ-HNNXBMFYSA-N 356.451 2.490 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1Cc2ccccc2O1 30231297 WQYFLUKILIGDTH-HXUWFJFHSA-N 352.434 2.139 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 58194849 JUUDQOMWPGGWPV-SFHVURJKSA-N 357.435 2.174 0 40 FEAB O=C(NCCOC1CCCCCC1)N1CCC[C@@H]1CN1CCOCC1 74316624 ZBUOUUMQTHLXCA-QGZVFWFLSA-N 353.507 2.232 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H]2C[C@H]2c2ccco2)CC1 75106149 OLSVYEFAKPDSGB-CVEARBPZSA-N 361.486 2.126 0 40 FEAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccccc1)C(=O)O 5257656 JRSODNYVRFKHKQ-MRXNPFEDSA-N 357.410 2.179 0 40 FEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCCC2)c(=O)[nH]c1=O 5605531 SBIXAKKWALRDKU-UHFFFAOYSA-N 374.441 2.235 0 40 FEAB Cc1ncc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)c(C)n1 12222881 SOCNYBYQUIIYDE-UHFFFAOYSA-N 365.437 2.110 0 40 FEAB CC[C@H](C(=O)NCCCOC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715701 SAVQVCFUEXLBLJ-MRXNPFEDSA-N 374.478 2.302 0 40 FEAB CCOC(=O)COc1ccc(Br)c(CN2CCOCC2)c1 16844824 HVSWHEKTIYTNQW-UHFFFAOYSA-N 358.232 2.223 0 40 FEAB CNc1cc(CNC(=O)CN2Cc3ccccc3C2)nc(-c2cccnc2)n1 19592242 GGRZMDNHAXPCQI-UHFFFAOYSA-N 374.448 2.212 0 40 FEAB CN1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2cccs2)CC1 19891932 AFSWTMVXFDXKDI-OWBHPGMISA-N 361.492 2.355 0 40 FEAB Cc1cc(S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)ccc1F 225564203 ZUIRYLFADYTEBO-UHFFFAOYSA-N 370.490 2.303 0 40 FEAB O=C(NCCCc1ccco1)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630649675 LLVLTZGRYDCQFW-ZWKOTPCHSA-N 356.422 2.446 0 40 FEAB CCOC(=O)c1c[nH]c2ccc(C)cc2c1=NCCCN1CCOCC1 5958569 RUJDQNUHENFTGQ-UHFFFAOYSA-N 357.454 2.276 0 40 FEAB CO[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@]12C[C@@H](c1ccccc1)CO2 643588461 WVBLWKIMUQNOMV-FQELHTAISA-N 367.449 2.312 0 40 FEAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(Cl)cc2)n1 5782905 CFTLTWAMXIIIDH-UHFFFAOYSA-N 368.798 2.308 0 40 FEAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4cccs4)sc3nc2=O)cc1 6426717 DYWFVYXBWJBUJD-GDNBJRDFSA-N 367.455 2.020 0 40 FEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2OC)nn1 1888864127 UEIQMWBDTHMZEN-XYPWUTKMSA-N 356.426 2.441 0 40 FEAB Cc1cnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)nc1 1888865765 SSANMNNWGOZJCZ-UHFFFAOYSA-N 351.410 2.223 0 40 FEAB COc1ccc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)cn1 2056224113 RSLUDKROUFDLNS-KDURUIRLSA-N 366.465 2.469 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SC)s2)CC1=O 5076865 XVNOCIMXBRDDAD-VIFPVBQESA-N 364.452 2.260 0 40 FEAB COc1ccc(N2C[C@@H](CNC(=O)COc3ccccc3)CC2=O)cc1 8925392 OYHQZBCUHRAPHR-OAHLLOKOSA-N 354.406 2.243 0 40 FEAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c1 9621432 CRXXFIOJMPREOF-UHFFFAOYSA-N 372.402 2.005 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 9828266 SSJCXBALMOGSAL-UHFFFAOYSA-N 362.407 2.389 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)NCCc1ccc(OC)cc1 10256305 SVWMKHYOBBVWON-GOSISDBHSA-N 353.422 2.125 0 40 FEAB CCn1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)n1 11738141 RPUUWNABZJAZIO-UHFFFAOYSA-N 373.369 2.231 0 40 FEAB COCCNC(=O)Cc1csc(SCC(=O)c2cccs2)n1 12444122 YQUWZLOGHPHCIG-UHFFFAOYSA-N 356.494 2.485 0 40 FEAB Cc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 15884262 ILPHWPHWWJYXPW-UHFFFAOYSA-N 362.389 2.443 0 40 FEAB COc1ccccc1OCC(=O)NCc1nnnn1-c1ccc(Cl)cc1 16973951 CAIIDULRTCFDOD-UHFFFAOYSA-N 373.800 2.020 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cc1C 2055732613 UPFXMFPEHPZGIM-KRWDZBQOSA-N 369.465 2.411 0 40 FEAB CCCCN(C)S(=O)(=O)N1CCC(C(=O)Nc2ncccc2C)CC1 40149817 RGBOFRIRBYVIEP-UHFFFAOYSA-N 368.503 2.017 0 40 FEAB COc1cc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc(Cl)c1OC 50447253 FVTUJEZZCZQEMH-NSHDSACASA-N 366.845 2.488 0 40 FEAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@@]23C=C[C@H]1O3 100886395 OFEIMXRKQMBMPZ-OEUWWYETSA-N 351.761 2.329 0 40 FEAB aggregator Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c1 20609895 WWHBUEWQELPWCK-ZDUSSCGKSA-N 361.394 2.273 0 40 FEAB biogenic CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 20731568 UIHQZNMXXSGDLP-LBPRGKRZSA-N 359.407 2.311 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 32904740 TUDVCPTWFZKOMW-AWEZNQCLSA-N 374.462 2.203 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c[nH]1 32901918 CQIQPSYMCZGNGL-CQSZACIVSA-N 370.390 2.016 0 40 FEAB CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2c(C)noc2C)cc1 42289890 PAXDLCYPSSEEGV-JXMROGBWSA-N 350.396 2.208 0 40 FEAB CCC(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)OC)C1 83061219 LIZMDRBDLWEDQM-UWWQBHOKSA-N 360.454 2.302 0 40 FEAB CC(C)N1C(=O)C(=O)N(CN(C)Cc2ccccc2N2CCCCC2)C1=O 23652620 QPDCBUWHULKNLT-UHFFFAOYSA-N 372.469 2.265 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 54530683 YNTFQPITOOJKCW-UHFFFAOYSA-N 353.422 2.356 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)NCc1ccco1 6103866 WAYURXDSPPEEAB-UHFFFAOYSA-N 366.373 2.022 0 40 FEAB CSc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6589370 ZUMPEUXDUMUAMQ-UHFFFAOYSA-N 361.467 2.232 0 40 FEAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 6951176 JCRQYQMTDYICMY-BJMVGYQFSA-N 359.165 2.369 0 40 FEAB Cc1ccc(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 58019128 IQRVXLSKHHOJOZ-UHFFFAOYSA-N 364.833 2.346 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)c4ccno4)CC3)CC2=O)n1 108526321 YOCTVBPAPMFMID-UHFFFAOYSA-N 354.410 2.033 0 40 FEAB CCN1C[C@H](c2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)CC1=O 100665286 HECGFNSSUJIMIH-GFCCVEGCSA-N 365.393 2.023 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 10333094 NAPMZGQTDWKYAV-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB c1ccc(-n2nnnc2NCc2ccccc2CN2CCOCC2)cc1 25105728 BVSLTUOGHAEGDE-UHFFFAOYSA-N 350.426 2.107 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 10783953 GBQXAAOANBJVOQ-YNHQPCIGSA-N 367.430 2.350 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 58014341 ZOTRHWZVIXWDHM-OLZOCXBDSA-N 371.455 2.099 0 40 FEAB COc1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1OC 48285618 UJRKBPSIOUXGLL-UHFFFAOYSA-N 369.421 2.133 0 40 FEAB CC[C@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@@H]31)[C@@H]25 104059170 SLUFFIKFMLYKDM-SUVRQGJPSA-N 352.434 2.024 0 40 FEAB Cc1ccc(S(=O)(=O)c2nc([S@](=O)CCO)sc2Cl)cc1 28051564 XPCQLFIXGRGVHH-FQEVSTJZSA-N 365.885 2.038 0 40 FEAB CC(=O)Nc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 12792570 CFRWAWPEQKUTOT-HXUWFJFHSA-N 367.449 2.448 0 40 FEAB C[C@H]1CCCN(CCNC(=O)NCCNC(=O)c2ccccc2Cl)C1 45570406 AAZSZLKEVRBHLT-AWEZNQCLSA-N 366.893 2.101 0 40 FEAB CCOCn1cc(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)cn1 36619374 ZPQXVZVURONZRL-UHFFFAOYSA-N 363.381 2.234 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1ccccc1Cl 5166066 GRAAIFQYDLWYSN-UHFFFAOYSA-N 371.780 2.050 0 40 FEAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19680405 SGEWQXOZSMPNRF-UHFFFAOYSA-N 361.375 2.126 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 28976787 NJUUIOGECZUZIO-QAPCUYQASA-N 361.461 2.278 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 4497857 DTWUGFWXJCDYAI-AWEZNQCLSA-N 354.472 2.155 0 40 FEAB CCc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)c2c1 5345530 TXHXIQFDYFEQIO-UHFFFAOYSA-N 372.402 2.255 0 40 FEAB CN(C(=O)c1ccc(C2SCCS2)cc1)[C@H]1CCS(=O)(=O)C1 14160600 WOGVDTYNIOIADC-ZDUSSCGKSA-N 357.522 2.424 0 40 FEAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccco1 14120579 DEGVYYVPLKCBIR-GFCCVEGCSA-N 358.423 2.182 0 40 FEAB CC(C)(C)OC(=O)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 14137967 CHEUSVVCPSMBFZ-UHFFFAOYSA-N 363.245 2.060 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 14170661 LGBCXJJPIBATSK-UHFFFAOYSA-N 351.355 2.357 0 40 FEAB COc1cc(C(=O)NCC(=O)N2CCCCCC2)ccc1OC(F)F 28650054 ITHHPFCQPIUCCN-UHFFFAOYSA-N 356.369 2.429 0 40 FEAB O=C(CN1CCc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1F 6552687 QVFXPLAFFJFAAE-UHFFFAOYSA-N 363.339 2.221 0 40 FEAB Cc1nn(C[C@@H](C)C(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1Cl 6921011 WVZXQEDYLXQXRX-KRTXAFLBSA-N 352.744 2.258 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCO)n2CC 6971217 QINBIKAQAOKSAR-UHFFFAOYSA-N 357.501 2.171 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)s2)cc1 4932392 IMACOMXVNWUVOA-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB C[C@H](NC(=O)[C@@H](C)OC(=O)CN1CCCCCC1=O)c1ccc(F)cc1 7007658 SIRYBTOMCZBOSX-UONOGXRCSA-N 364.417 2.337 0 40 FEAB C[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)NCc1ccc(F)cc1 7773218 XQFAJTIEYIDQGA-ZDUSSCGKSA-N 373.380 2.388 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1C=CCC1 8170938 VWANOQHFUIMNPF-INIZCTEOSA-N 357.454 2.276 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)C1=O 70016900 WOUZURFMTRYDOC-QEEYODRMSA-N 367.380 2.428 0 40 FEAB COC(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 8328028 HGZPLZFMOVSWKH-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB Cc1cnc(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3)c2)nc1 91575902 ICMNTWSEFWQWBX-UHFFFAOYSA-N 359.451 2.385 0 40 FEAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@H]1CCCc2occc21 84005119 FGMLYMPRRMWHIR-INIZCTEOSA-N 364.405 2.470 0 40 FEAB Cc1ccc(C)c(C(=O)CCC(=O)NC2CCN([C@H]3CCOC3=O)CC2)c1 89611864 XQCQBSWQKMVEJI-SFHVURJKSA-N 372.465 2.162 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCn2cncc2C1 89904972 XNXSHPKKCTUHII-HOCLYGCPSA-N 350.426 2.246 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccn1 408558066 IIVYWXMQCNMABM-AWEZNQCLSA-N 369.446 2.218 0 40 FEAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)no1 306138015 RMQUQHCBMBMQMW-AWEZNQCLSA-N 369.412 2.126 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)CCc1ccccc1 71980312 TWYLMJYAIVHIDI-QGZVFWFLSA-N 360.454 2.133 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 218575552 IKTCSXCRBBOLAE-ULQDDVLXSA-N 350.871 2.244 0 40 FEAB Cc1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc3n12 64871422 FVWYNIBVEPYCOP-UHFFFAOYSA-N 351.341 2.130 0 40 FEAB CC(C)=CC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980662 QUWMQHAIVOJQQM-KRWDZBQOSA-N 358.438 2.257 0 40 FEAB NCc1cc(I)c(O)c(I)c1 43160264 OJQYCMMFDXSDGB-UHFFFAOYSA-N 374.947 2.060 0 40 FEAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223308820 HPFRAJHHWXKQIF-AWEZNQCLSA-N 374.462 2.294 0 40 FEAB O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 96158832 DVFCYVAYUWHQGH-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB CN(C)C(=O)COC[C@H]1CCC[C@]12CN(Cc1cccs1)CCO2 96159913 IDUSFBRRCPFZHY-QAPCUYQASA-N 352.500 2.224 0 40 FEAB CCN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCOC1)CC2 96199681 AKMWYFSRIPJZSW-ZWKOTPCHSA-N 356.466 2.420 0 40 FEAB O=S1(=O)CC[C@H](COCC2CC2)C12CN(Cc1ccccc1F)C2 247358486 YPMJTWJITNNVSO-MRXNPFEDSA-N 353.459 2.241 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1OC 26527720 YWZSLCACPXKAIS-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)CN)cc1 252515713 MXIPGHGGBRUCGT-GVDBMIGSSA-N 350.871 2.244 0 40 FEAB O=C(CC1CCOCC1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257310215 UEEMSNDUINZMNS-QGZVFWFLSA-N 357.454 2.169 0 40 FEAB Cc1ccnc([C@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257324675 WPRFJFJKFXXKHJ-QGZVFWFLSA-N 351.410 2.125 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3ccnnc3)C2)cn1 257312896 UQCYMJZSFOURRI-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB O=C(NC[C@]1(O)CCCN(c2ccccn2)C1)c1cc2c(s1)CCC2 257288327 PTTLHOXSHVRYFB-LJQANCHMSA-N 357.479 2.393 0 40 FEAB C[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)n1ccc(C(F)(F)F)n1 632079551 VQYHPVKJBYLUBV-VXGBXAGGSA-N 353.348 2.253 0 40 FEAB COCCN(Cc1ccsc1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 96025747 VVIYWRHKHAHUSY-UHFFFAOYSA-N 368.436 2.020 0 40 FEAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 48261874 VENMXYDQANFVHQ-AWEZNQCLSA-N 370.490 2.472 0 40 FEAB Cc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3)CC2)o1 58217447 WCJGZQYRZCEAMK-UHFFFAOYSA-N 355.438 2.099 0 40 FEAB COc1ccc(CCNc2cc(-n3nc(C)cc3N)ncn2)cc1OC 75107035 VOIPJQNVQDBUGK-UHFFFAOYSA-N 354.414 2.225 0 40 FEAB Cc1cc(NCCNc2nnnn2-c2ccccc2)nc(-c2ccncc2)n1 79102814 BSLIUROAXWQXDD-UHFFFAOYSA-N 373.424 2.347 0 40 FEAB CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H](CC(=O)O)C1 91293506 PYDXYMFUILHCDO-NSHDSACASA-N 359.220 2.147 0 40 FEAB CCOC(=O)[C@@H]1[C@@]2(C)NC(=O)[C@]1(Cc1ccccc1)c1ccc(O)cc1O2 5496099 ANVBFJBRQCOSFD-JRGCBEDISA-N 367.401 2.290 0 40 FEAB COc1cccc([C@@H]2c3cc4c(cc3O[C@@H]3COC(=O)[C@@H]32)OCO4)c1OC 5941935 NUCFVLUQYPWOTM-KURKYZTESA-N 370.357 2.498 0 40 FEAB CCc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)c2cc3oc(C)cc3n12 12115534 FNEILZSDSFMUFL-LBPRGKRZSA-N 356.426 2.372 0 40 FEAB COc1ccc(OC)c(CC(=O)N[C@H](C)Cn2nnc3ccccc32)c1 12145031 ZOQDUNLAZFDRFR-CYBMUJFWSA-N 354.410 2.196 0 40 FEAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 12365335 VMDBGKFKXJFKOS-OAQYLSRUSA-N 365.433 2.498 0 40 FEAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 19706185 OGJOFSDZFJGVOB-KRWDZBQOSA-N 371.460 2.201 0 40 FEAB COc1cc(CCC(=O)N2CC[C@@H](c3cc4ncc(C)nc4[nH]3)C2)on1 19717403 PPZBTOQIDCYTEC-GFCCVEGCSA-N 355.398 2.212 0 40 FEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCCCC1)c1cccn2nnnc12 19717616 FIFMAQWFOBLJPZ-QGZVFWFLSA-N 368.416 2.220 0 40 FEAB Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)Nc4ccccc4)C3)nc12 19747600 BVBQOSFNXIJAHA-KRWDZBQOSA-N 364.405 2.122 0 40 FEAB COc1cccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1 225572541 NLVMVZZPUOPZQV-OAHLLOKOSA-N 370.540 2.191 0 40 FEAB COCc1nccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)n1 622955393 BBVDTIBKHKEGOS-UHFFFAOYSA-N 363.727 2.439 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 18147488 BILMZMHIRIXQFD-UHFFFAOYSA-N 366.417 2.453 0 40 FEAB CCn1cc(C(=O)OCC(=O)N2CCCCCC2)c(=O)c2ccc(C)nc21 6634916 MYORFFYYKUZQQP-UHFFFAOYSA-N 371.437 2.284 0 40 FEAB CCc1ncnc(N2CCN(c3nc(O)c(F)c(C(C)C)n3)CC2)c1F 1888859916 QTZJGEFBDPROMP-UHFFFAOYSA-N 364.400 2.263 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4ccnc(C5CC5)n4)C[C@H]3C2)c1F 1888866548 JKMPFHVLHPHDPQ-KBPBESRZSA-N 354.433 2.418 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](COc3ccc(C)nn3)C2)c1 1888881927 SEFBYLBHPOXHIM-MRXNPFEDSA-N 361.467 2.491 0 40 FEAB COc1ccccc1C(=O)N1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037985465 KXOVEFLLJRXOCS-HXUWFJFHSA-N 360.454 2.327 0 40 FEAB Cc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)o1 1614929377 ZFZNJWWGEVESJW-AWEZNQCLSA-N 365.393 2.090 0 40 FEAB COC(=O)c1cc(C(C)C)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850727 CZJIFRCWQVGUTD-LLVKDONJSA-N 351.428 2.009 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 2055713304 XQPWKYSAYFJZCZ-HDMKZQKVSA-N 367.405 2.420 0 40 FEAB CC[C@H](C(=O)N1CCN(c2ccnc(OC)c2)C(=O)C1)c1ccccc1 1775973671 QHAXSXVOAVANDD-KRWDZBQOSA-N 353.422 2.459 0 40 FEAB CCOc1ccccc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19520126 YNQXSUSEXOVRRJ-QGZVFWFLSA-N 352.438 2.498 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1Cc2ccccc2O1 30231295 WQYFLUKILIGDTH-FQEVSTJZSA-N 352.434 2.139 0 40 FEAB CC(C)C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 30427896 HGYZJBGHMCUJFQ-HNNXBMFYSA-N 368.499 2.214 0 40 FEAB Cc1nc2ccccc2nc1N1CCN(c2nnnn2-c2ccccc2)CC1 30520472 NNOKGYZRRPONCN-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)s1 31816185 GYOWIQOTQIQDDL-LLVKDONJSA-N 350.831 2.487 0 40 FEAB O=c1c(NC2CCCCC2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101703238 GHAMVYCRTYJGBE-UHFFFAOYSA-N 353.466 2.349 0 40 FEAB O=C(CCNC(=O)c1cccs1)OCCCn1c(=O)[nH]c2ccccc21 21538194 ZLZRWCBHNORSPR-UHFFFAOYSA-N 373.434 2.145 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccccc2F)cc1 32836467 BXQCKQVOLBAJQI-UHFFFAOYSA-N 351.399 2.274 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccc(F)cc2)cc1 32836486 WNLNWQZDTRKODD-UHFFFAOYSA-N 351.399 2.274 0 40 FEAB COc1cc(CN(C)C(=O)[C@@H](NC(C)=O)C(C)C)ccc1OC(F)F 32962403 OKYYOGWVZQTNER-HNNXBMFYSA-N 358.385 2.416 0 40 FEAB CCCNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325307 USOZXAKVTGUAMZ-LLVKDONJSA-N 353.469 2.111 0 40 FEAB C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccc(F)c(F)c1 103773335 TWCBRTOIDGYLBE-BWZLJEEXSA-N 362.376 2.195 0 40 FEAB O=C1C[C@H](c2ccccc2)N(C(=O)c2cc3ccccc3oc2=O)CCN1 47229232 YIDSTTUVOYLHTQ-QGZVFWFLSA-N 362.385 2.496 0 40 FEAB CCc1cc(Sc2nnnn2C[C@@H]2CCCO2)nc(-c2ccncc2)n1 78551096 JMHPGWXGFCXHQY-AWEZNQCLSA-N 369.454 2.418 0 40 FEAB CN(CC(=O)Nc1cc2c(cc1F)CCC(=O)N2)C(=O)c1cccs1 24448501 PZCSHWSXHYWQLF-UHFFFAOYSA-N 361.398 2.483 0 40 FEAB CC(C)(C)SCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 25135032 RAILPFNCRNDDAW-UHFFFAOYSA-N 364.920 2.266 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 43730159 DEWDBMMNZPWYTG-VCAMNPENSA-N 369.465 2.172 0 40 FEAB O=C(c1ccco1)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 35380144 FRRYTHRXYDQKGF-LJQANCHMSA-N 367.449 2.401 0 40 FEAB COc1ccc(CCNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 57363992 CEUKKILFGDAROB-UHFFFAOYSA-N 371.456 2.315 0 40 FEAB COc1cc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc2c1OCCO2 62001413 HCBHUGFDFNCLMN-QUCCMNQESA-N 352.390 2.391 0 40 FEAB biogenic COCC(=O)Nc1cccc(NCC(=O)N2CCc3ccccc3C2)c1 44759378 SHDZVEMYWTUCRU-UHFFFAOYSA-N 353.422 2.268 0 40 FEAB COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 107728307 GQGJJUPTGWJLGK-VQIMIIECSA-N 358.417 2.470 0 40 FEAB COCCn1c(C)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C 2116161 YTKDEKFGHFJIJK-ZMTLZGASSA-N 366.439 2.349 0 40 FEAB COc1ccc([C@H]2C(c3ccccc3)=C(O)[C@@H](O)N2c2nnn[nH]2)cc1 106105464 XTHASLIJCUNAHN-DOTOQJQBSA-N 351.366 2.057 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1c(C)nc2ccccc2c1=O 10682670 APWMZGCAYJSYSJ-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1Br 36396910 LVMGYYHHDSTXAX-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 20140197 FYMINBFSDHWSQQ-KRWDZBQOSA-N 350.511 2.111 0 40 FEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3300468 MDHSSRSHPZWLKV-UHFFFAOYSA-N 362.304 2.366 0 40 FEAB Cc1nc(N2CCN(C(=O)NC3CCCCC3)CC2)c2c(n1)c(C)nn2C 28557419 BHTHEVYEJLABOQ-UHFFFAOYSA-N 371.489 2.144 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102015277 RCWKFRDWFNFKGV-LUKYLMHMSA-N 369.396 2.354 0 40 FEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(OCCn2cccn2)c1 48342342 KSGBFKKAMFNPTQ-HNNXBMFYSA-N 354.414 2.369 0 40 FEAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCn2cncn2)C1 48373990 XZWNBKXQKRZEMN-CALCHBBNSA-N 355.486 2.463 0 40 FEAB Cc1ccc(NC(=O)CS(=O)(=O)Cc2noc(CC(C)C)n2)cc1F 46163123 UPIFZHVAEMCDDA-UHFFFAOYSA-N 369.418 2.269 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCN(c2cnccn2)C1 29850007 YUFVESMGZUDIKT-CQSZACIVSA-N 354.410 2.493 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 12939733 ZVZYVTAPWAMFSV-IUODEOHRSA-N 362.401 2.442 0 40 FEAB COc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F 13055844 SYAQFDIVHBSXCJ-UHFFFAOYSA-N 368.336 2.344 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1Br 13075146 VSBICZZFBZMZTE-UHFFFAOYSA-N 371.212 2.021 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9447469 GRKHAPNWAMVUHU-AWEZNQCLSA-N 352.431 2.015 0 40 FEAB COCCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 6604455 HFOSJYPZLIMRGT-NSHDSACASA-N 363.443 2.002 0 40 FEAB CCOC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)sc2c1CCC2 6671678 CDCZOSNJZTZBCW-UHFFFAOYSA-N 373.434 2.063 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC2)cc1Cl 7881263 JUWUTGHJFBBFMC-UHFFFAOYSA-N 360.863 2.028 0 40 FEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccc(C(N)=O)cc1 16809424 FDUUUQWUWLBUMT-IBGZPJMESA-N 368.433 2.212 0 40 FEAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C 20466114 ZFKXNBKKSJPZIT-IEBFPQEESA-N 352.519 2.475 0 40 FEAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1F 22531484 CYFRQWGIWQIWDK-UHFFFAOYSA-N 361.398 2.499 0 40 FEAB O=C(CSc1nncn1C1CC1)Nc1ccc(N2CCOCC2)cc1 8720372 HGCZLGRXHAGLQC-UHFFFAOYSA-N 359.455 2.180 0 40 FEAB COc1cccc2c1OCC(C(=O)N[C@H]1CCc3nnc(C(C)C)n3C1)=C2 95958458 MTTVJDUXDZHGLE-HNNXBMFYSA-N 368.437 2.317 0 40 FEAB Cc1cccc(OCC(=O)NC(=S)NCc2ccc(C(=O)O)cc2)c1 20153682 JLDMWCKNXCFHAT-UHFFFAOYSA-N 358.419 2.263 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccnc1 408703588 UBLLFZUYMHLGTI-UHFFFAOYSA-N 361.423 2.127 0 40 FEAB CN1CCN(CC(C)(C)CN2CCC(O)(c3ccc(F)cc3)CC2)CC1 22588777 UJMSAZZOXCCXCQ-UHFFFAOYSA-N 363.521 2.383 0 40 FEAB Cc1cccc(CN2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 22774081 QYRYVBRFZIIGCB-UHFFFAOYSA-N 367.449 2.480 0 40 FEAB CCn1cnc2c(N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)ncnc21 531798176 MIGSJOYPWHUBGX-MRXNPFEDSA-N 364.453 2.492 0 40 FEAB COc1ccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)cc1 32072967 OWWZQGALNJHRAR-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217659920 JVVQFXFSFPVNFU-CHWSQXEVSA-N 370.471 2.443 0 40 FEAB COC(=O)/N=c1/[nH]c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[nH]1 72120008 MOTYAJJUJSKINW-UHFFFAOYSA-N 353.334 2.181 0 40 FEAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 32243205 WOMDEXNBKHBUFA-IZZDOVSWSA-N 369.509 2.420 0 40 FEAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccc(Cl)cc1 71980242 TXKCTBCABIJJOW-HNNXBMFYSA-N 366.845 2.007 0 40 FEAB Cc1ccc(O)c(-c2nc3c(c(=O)[nH]2)Cc2c(CO)cnc(C)c2O3)c1 13362749 YAIXNJXUYYYZCY-UHFFFAOYSA-N 351.362 2.343 0 40 FEAB Cc1cc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 42383544 DXAIXEICBUMZIE-SECBINFHSA-N 372.295 2.015 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)c(C)c1 226054387 QIGFSJRGLZVCIO-UHFFFAOYSA-N 356.488 2.224 0 40 FEAB CC(C)(C)n1cnc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)n1 577223906 LNZOZFJGXONELE-UHFFFAOYSA-N 352.778 2.402 0 40 FEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)C)s1 225870474 PYLXWXQTZBCIEW-UHFFFAOYSA-N 354.457 2.176 0 40 FEAB CS(=O)(=O)c1ccc2c(c1)CCN(c1cccc(-n3ccnc3)n1)CC2 585080370 BJXQSKUPLGVBLP-UHFFFAOYSA-N 368.462 2.276 0 40 FEAB C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[C@H]1CCCO1 583615444 TUMLYAWSTUZPLG-CYGHRXIMSA-N 363.506 2.012 0 40 FEAB N[C@H](Cc1ccccc1)[C@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1 98092078 BBMPHERXUYPXDO-IFMALSPDSA-N 362.477 2.355 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccc3c(c2)OCO3)Oc2ccccc21 96111715 RLPOHCHGJBKMQH-ZFWWWQNUSA-N 366.373 2.054 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)on1 248057815 UUKPFZNJAKQBMW-AWEZNQCLSA-N 363.439 2.338 0 40 FEAB Cc1cccnc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257320349 VWKIEVPRPZHRGP-YOEHRIQHSA-N 371.412 2.314 0 40 FEAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 257294504 QULMIQKZYVNBJQ-OAHLLOKOSA-N 352.398 2.459 0 40 FEAB CC(=O)N1CC2(CCN(Cc3ccc(Cl)cn3)CC2)C[C@@]1(C)CO 257207930 BJYCSIKRHPOXLY-KRWDZBQOSA-N 351.878 2.320 0 40 FEAB C[C@H](c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1)N1CCOCC1 603659366 YWYMCUHNMRJXOE-CYBMUJFWSA-N 355.394 2.425 0 40 FEAB COC(=O)c1ccc(NC(=O)c2coc(NC(=O)c3cc(C)on3)n2)cc1 90583027 PCFQBUWPEUYFKL-UHFFFAOYSA-N 370.321 2.262 0 40 FEAB C[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c(F)cncc1F 296686233 STLCPXUBVZCLGG-FRRDWIJNSA-N 374.391 2.411 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)c(C)o1 676842672 CRKMOBZVIINGIL-HNNXBMFYSA-N 370.453 2.076 0 40 FEAB COCc1cc([C@@H](C)N[C@@H]2CN(C)C[C@H]2c2cncn2C)ccc1OC 1775959891 FJCQSOKAOLCNMI-ZTFGCOKTSA-N 358.486 2.324 0 40 FEAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(Br)s1 77099804 KYSIYNSZTLSYCA-JTQLQIEISA-N 374.347 2.293 0 40 FEAB CC(C)=CC(=O)Nc1nnc(SCC(=O)Nc2cc(C)on2)s1 5000602 VWFSFLDVCWHGQH-UHFFFAOYSA-N 353.429 2.470 0 40 FEAB C[C@@H](O)CNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156908 OAUCJDDAEYYUMY-CJNGLKHVSA-N 364.417 2.003 0 40 FEAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)CCc4ccno4)C3)nc12 12276421 PPWHTINJVWPIPI-CYBMUJFWSA-N 369.425 2.242 0 40 FEAB CC1CCN(c2nc(CNC(=O)c3ccc(N(C)C)cc3)cc(=O)[nH]2)CC1 19497055 NZQXVDWLBFDYGI-UHFFFAOYSA-N 369.469 2.002 0 40 FEAB C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 19497973 ZZNPZZLZZYARCZ-FZKQIMNGSA-N 364.449 2.423 0 40 FEAB Cc1cc2ncn(CCC(=O)Nc3nc(CC(N)=O)cs3)c2cc1C 19661143 JMYKKRIVVXDWOI-UHFFFAOYSA-N 357.439 2.166 0 40 FEAB CCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 19855584 FGFPZCNIBOHCEN-UHFFFAOYSA-N 350.415 2.466 0 40 FEAB COc1ccc(N2CC[C@H](NC(=O)c3cccc(N(C)C)c3)C2=O)cc1 169793007 UQKKBFOAEZBQDS-SFHVURJKSA-N 353.422 2.297 0 40 FEAB O=C(c1cnn(-c2ccccc2Cl)c1)N1CCC(N2CCOCC2)CC1 628126154 FCJFIWWHXSRSKQ-UHFFFAOYSA-N 374.872 2.463 0 40 FEAB CN(C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2F)nn1 643669062 BYZMUOBKHTVXFZ-AWEZNQCLSA-N 350.419 2.208 0 40 FEAB C/C(Cl)=C/Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 12232473 UPGNEMRNGABUST-NTMALXAHSA-N 351.838 2.311 0 40 FEAB O=C(c1cc[nH]n1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849681 INMSOKDLYTXYCC-GHMZBOCLSA-N 351.332 2.032 0 40 FEAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)s1 239611950 FGAKDAIQJXWUOB-ZDUSSCGKSA-N 369.464 2.094 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(Cc4cn[nH]c4)C3)C2)cc1 1203091137 WJQOVVIUOLCQIM-LJQANCHMSA-N 369.425 2.168 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1csc(C)n1)CC2 1614938618 XODVDQUAGGDARH-AWEZNQCLSA-N 365.499 2.189 0 40 FEAB CCN(C)C(=O)c1cnc2n1C[C@@H](NC(=O)/C=C/c1cccs1)CC2 1565555546 CLFQNZXMEJXZCY-XOVSCCBYSA-N 358.467 2.181 0 40 FEAB Cc1cc(C)n(C(=O)Cn2nc(C)c(I)c2C)n1 1430031 BCLKEJPCFJDUDA-UHFFFAOYSA-N 358.183 2.258 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc3c(c2)OCO3)cc1C 9571308 HEZGRESYYIIZQY-UHFFFAOYSA-N 366.381 2.330 0 40 FEAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)N1CCCCC1 12230890 CBKGVWSDMGLHLE-UHFFFAOYSA-N 374.412 2.071 0 40 FEAB CC(C)c1noc(CN2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 1775974046 UVWCORNWYMROJX-UHFFFAOYSA-N 365.441 2.367 0 40 FEAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nccs2)C(=O)C1 1775966630 QDGODRJRQNYOHB-UHFFFAOYSA-N 360.483 2.470 0 40 FEAB COc1ccc(CC(=O)NC[C@]2(O)CCOc3ccccc32)cc1OC 85470326 OTEABRPQGJTNFV-HXUWFJFHSA-N 357.406 2.033 0 40 FEAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 56998170 QPOTZTZDFPWYNX-OALUTQOASA-N 374.506 2.391 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2Cl)C[C@H](C)O1 40039938 JNIIGSGXVCZLTI-STQMWFEESA-N 362.879 2.005 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccc(F)c(C(=O)OC)c3)nc2s1 40061323 YXRZOCJQLKLNER-UHFFFAOYSA-N 362.386 2.251 0 40 FEAB N=C(NC1=N[C@H](CC(=O)Nc2ccccc2)C(O)=N1)Nc1ccccc1 20101136 WGHHFJHDNJTZHF-CQSZACIVSA-N 350.382 2.346 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2SCc2cccs2)CCO1 50857066 IBOHBJDWZXZRTP-AWEZNQCLSA-N 362.476 2.367 0 40 FEAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 20820681 QUZCDQSENZJATK-KRWDZBQOSA-N 359.470 2.290 0 40 FEAB CCCn1nc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)ccc1=O 32483889 ZPJBOEUYLZCYDM-UHFFFAOYSA-N 374.872 2.265 0 40 FEAB COc1ccc(N[C@H](C)C(=O)N2CCC(C)CC2)cc1NS(C)(=O)=O 32771555 XSWSZDWLCAXUCY-CYBMUJFWSA-N 369.487 2.126 0 40 FEAB COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1OC 21790360 XCBPRNXQKVKABJ-GFCCVEGCSA-N 369.373 2.336 0 40 FEAB O=C(CSc1nnnn1C1CC1)NCc1ccnc(OC2CCCC2)c1 41398242 SBAGZWRFCFZYJM-UHFFFAOYSA-N 374.470 2.133 0 40 FEAB Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)N(C)C)c1nnnn12 1376924 JAWKPOWFUVTGQJ-MRXNPFEDSA-N 368.441 2.249 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 819452 NZAHMJMWPJTVMX-NVXWUHKLSA-N 374.824 2.221 0 40 FEAB Cc1cc(C(=O)CSc2nnc(SCC(N)=O)s2)c(C)n1C 6107480 NMARQQVZUPOUAN-UHFFFAOYSA-N 356.498 2.046 0 40 FEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 6817766 RRNPEYMKRCDVLY-UHFFFAOYSA-N 366.468 2.273 0 40 FEAB COc1ccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)c(OC)c1 105779929 MXUNSQZPHCOBQX-MRXNPFEDSA-N 358.394 2.275 0 40 FEAB C[C@H]1CCCCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134245 LMUBFTFQUVPZMS-ZDUSSCGKSA-N 374.466 2.021 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccsc1 25330826 AABIXJWHJZFNDC-INIZCTEOSA-N 366.508 2.325 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 2913843 IXAOXOMBCNECGE-LBPRGKRZSA-N 369.826 2.467 0 40 FEAB CCC[C@H](NC(=O)[C@H]1OCC[C@@H]1C)C(=O)N1CCc2sccc2C1 107365557 HZUAZVRXQJSZJB-NOLJZWGESA-N 350.484 2.343 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)c1 12612809 VLVRNTKYYUVBJT-KRWDZBQOSA-N 368.389 2.442 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O 106742159 YVSCBPXVFSCHKW-QPEQYQDCSA-N 359.359 2.392 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1OC 26538986 KMHZVPBOTZWSEO-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 58645661 OGDLIHFQGNPGGY-UHFFFAOYSA-N 359.856 2.222 0 40 FEAB Cc1cnc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cn1 58182624 NRLNDJKDFWRJKR-SNVBAGLBSA-N 356.209 2.262 0 40 FEAB Cc1nc(C2(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)CCCCC2)no1 58213285 SLSSSKJBQTUAEV-UHFFFAOYSA-N 370.409 2.175 0 40 FEAB COc1ccc(CN(C)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1F 12799112 GKIBPWJCZQFXAF-KRWDZBQOSA-N 371.412 2.387 0 40 FEAB Cc1cc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 3381834 BPPPQJPNPGPHEW-CYBMUJFWSA-N 364.492 2.247 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)sc2C1 11448510 DBJZEMBSTXXZJZ-JTQLQIEISA-N 373.434 2.365 0 40 FEAB CNC(=O)c1ccc(Cl)c(NC(=O)CCS(=O)(=O)C2CCCC2)c1 46023602 RTBIPKWRHBXKSJ-UHFFFAOYSA-N 372.874 2.386 0 40 FEAB COC(=O)[C@]1(SC)[C@@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2[C@@]3(SC)C(=O)OC 104286967 UJCMCFULJLVVQQ-ZMHNUBEXSA-N 366.504 2.400 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 12192047 JUMCOBLOTBHZEE-JXMROGBWSA-N 360.439 2.431 0 40 FEAB Cc1nc(CN2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)no1 95959658 FIJCMMNONKEENW-CYBMUJFWSA-N 353.426 2.248 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3460028 BXQCUGAHDHOKOA-UHFFFAOYSA-N 371.345 2.040 0 40 FEAB CCn1ncc(Br)c1C(=O)NCCCn1nc(C)cc1C 28235354 DQIWARRYLIZCOY-UHFFFAOYSA-N 354.252 2.299 0 40 FEAB Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)n2ncnc2n1 12972670 GTBMZJYNRXEVSK-INIZCTEOSA-N 356.405 2.057 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 13023189 BXVCEHNMQPLNJO-UHFFFAOYSA-N 366.396 2.020 0 40 FEAB C[C@H](NC(=O)COc1ccc(CC(=O)O)cc1)c1ccc2c(c1)OCO2 13421261 YGHRTBGFJSBEDB-LBPRGKRZSA-N 357.362 2.299 0 40 FEAB COc1ccc2[nH]c(=O)c(CN(C)S(=O)(=O)c3ccccc3)cc2c1 9123907 LPFVNJRSZDCUEU-UHFFFAOYSA-N 358.419 2.357 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)c3cn4ccc(C)cc4n3)nc2s1 5117937 FQHIIGCFUACRHN-UHFFFAOYSA-N 369.406 2.027 0 40 FEAB O=C(COCC(=O)N1CCc2ccccc2C1)NCc1ccc(F)cc1 13942262 NPCSRIPZKRGEKW-UHFFFAOYSA-N 356.397 2.043 0 40 FEAB O=C(NCCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccco1 14185995 YSYABQCIDKKJNK-OAHLLOKOSA-N 369.421 2.277 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)Cn2ncc(=O)c3ccccc32)[C@@H]1C 9364715 QXKDSUHDXJMXBO-UMVBOHGHSA-N 356.426 2.047 0 40 FEAB C[C@@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1ccc(F)c(F)c1F 5956405 AXKMXWZCCHALPL-NSHDSACASA-N 357.376 2.375 0 40 FEAB O=C(Nc1cccnc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 15435941 LDSDKGOFPZGLDV-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCCCC2)c1 7780648 FZIXAVDSEOIDQO-UHFFFAOYSA-N 373.906 2.405 0 40 FEAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7848552 DGJXGZGDLJIDLY-CYBMUJFWSA-N 366.421 2.351 0 40 FEAB Cc1ccccc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320278 WBFYQSKOBHCGGM-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cnccn1 8756135 WJOMLHXOYIKGIP-UHFFFAOYSA-N 366.830 2.167 0 40 FEAB Cc1ccc(-n2cnnc2SCC(=O)N2CCCC2=O)cc1Cl 8778184 NEBDLMDPPSZDBP-UHFFFAOYSA-N 350.831 2.470 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 8844935 FLBMGORCCBVIOG-IBGZPJMESA-N 371.368 2.240 0 40 FEAB Cc1ccc(NC(=O)CN2CCC3(CC2)NC(c2ccccn2)=NO3)cc1 67317287 KPFSUHPXVLBYIH-UHFFFAOYSA-N 365.437 2.102 0 40 FEAB Cc1ccc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)o1 67693162 HEVYIEUFSDWEPP-UHFFFAOYSA-N 364.467 2.040 0 40 FEAB O=C([C@H]1Cc2ccccc21)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 1011207450 NGCKUGZVDRLTLF-SLFFLAALSA-N 361.445 2.196 0 40 FEAB Cc1cccc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 72375233 QDZNXFDCJXIQSP-HNNXBMFYSA-N 361.471 2.472 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@]1(C)Sc2ccccc2NC1=O 71195601 KNPAGMGCIWTWAE-XIKOKIGWSA-N 356.451 2.417 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)c1ccc(O)cc1 47545235 RGHZRDCBGJHRHL-UHFFFAOYSA-N 351.406 2.352 0 40 FEAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 225387331 UOFPJYHEMIAOMM-VIFPVBQESA-N 353.300 2.196 0 40 FEAB CCOc1ccc(NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)cc1F 576894893 WGSJTRJRDDTDGC-CYBMUJFWSA-N 374.416 2.372 0 40 FEAB CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96209024 OSCKQEUHDVVKDX-OTWHNJEPSA-N 355.438 2.345 0 40 FEAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc(OC)c1O 96193455 SGGYXRISQJJYNS-UHFFFAOYSA-N 360.370 2.064 0 40 FEAB CNC(=S)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695158 UPJABSRZYXBEMO-UHFFFAOYSA-N 352.813 2.376 0 40 FEAB O=S(=O)(N[C@@H]1CCC12CCN(c1ncccn1)CC2)c1ccccc1 96051642 DYFJDXFGWVWQCF-MRXNPFEDSA-N 358.467 2.204 0 40 FEAB CN(C)C[C@@H]1CCC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)OC1 248107758 JEFLVTGXOLYXRQ-HNNXBMFYSA-N 360.454 2.031 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)COc3cccnc3)CC2)cn1 257266570 MDOWOWOQMKBXOK-HNNXBMFYSA-N 355.442 2.164 0 40 FEAB Nc1n[nH]c2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12 257344714 ZYKBQFJNGUDUHQ-GFCCVEGCSA-N 357.439 2.108 0 40 FEAB Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2cncc(N(C)C)n2)n1 257210833 BWJHECAPHXCRMI-QGZVFWFLSA-N 356.474 2.500 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260901603 MJZNGRFRFIYOEG-NBOOPKSLSA-N 362.495 2.392 0 40 FEAB CCS(=O)(=O)NCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 672578100 REBNZOVFLCAMAW-UHFFFAOYSA-N 353.463 2.426 0 40 FEAB O=C(c1cccc(O)c1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 575406799 TYTJKYLIOUWEJA-VDGAXYAQSA-N 368.433 2.481 0 40 FEAB Cc1ncnc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)c1C 585108611 LWSCWOOHTZXECB-AOIWGVFYSA-N 368.437 2.077 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCc2ccccc2C1 29066183 SQZXZXPIHKMWLF-UHFFFAOYSA-N 374.462 2.286 0 40 FEAB C[C@]1(NC(=O)CSCc2ccc(Cl)s2)CCS(=O)(=O)C1 44516317 DGAWCFRLGLZMIH-LBPRGKRZSA-N 353.918 2.328 0 40 FEAB O=C(NCCS(=O)(=O)c1ccccc1)c1cccnc1N1CCCCC1 58357864 DBCNETJUZICOKB-UHFFFAOYSA-N 373.478 2.276 0 40 FEAB CCCCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 40160752 FKWJPEZNLZVUBW-UHFFFAOYSA-N 362.879 2.185 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)cc1C 56088104 VAHLQKNPHLAYIQ-UHFFFAOYSA-N 356.451 2.422 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 95426539 GLXSFGTXXUVDIC-NHCUHLMSSA-N 372.509 2.438 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157532 KTJAXHDHJOVOLT-FQEVSTJZSA-N 369.421 2.194 0 40 FEAB Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000184 CAHRTQIKFHUOCT-MSOLQXFVSA-N 353.422 2.279 0 40 FEAB O=C(O)COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 12136835 WNFXGQLQAJXBMH-YBEGLDIGSA-N 352.346 2.243 0 40 FEAB COc1ccccc1CC(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228368 QKMAQTFGHIRGSC-UHFFFAOYSA-N 351.410 2.310 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnccn1 12698769 VUYCNNWGUWQOGZ-UHFFFAOYSA-N 360.439 2.294 0 40 FEAB CC(C)Cn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc(O)cc1=O 12856930 VQOQJNDVRCJLQL-STQMWFEESA-N 353.488 2.202 0 40 FEAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1cccc(Cl)c1 13068212 DSXICWNNLFOQMP-CMDGGOBGSA-N 353.802 2.356 0 40 FEAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@H](Cc2ccccn2)C1=O 19695574 LLGXBQRQKRUARZ-KRWDZBQOSA-N 369.440 2.313 0 40 FEAB COCc1cn([C@H]2CCN(C(=O)c3cc(Br)cs3)C2)nn1 585149698 QPQLNBCNHZFGEY-NSHDSACASA-N 371.260 2.336 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCc1cccs1 9977056 XJFQHTHHNZHXSZ-UHFFFAOYSA-N 367.496 2.040 0 40 FEAB CCc1nc(N2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2)nc(O)c1F 1888859282 ILKDWMUAFBAWKW-BETUJISGSA-N 361.421 2.057 0 40 FEAB COc1cc(N2CC[C@H](Oc3ccncc3Br)C2)ncn1 1889102334 UVALKFVSBQCSDA-JTQLQIEISA-N 351.204 2.300 0 40 FEAB Cc1cc(OC2CN(c3ncnc4c3nnn4-c3ccccc3)C2)ccn1 1889237636 KOSIYFGFPTUZNO-UHFFFAOYSA-N 359.393 2.182 0 40 FEAB O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2ccncc2)CC1 23731094 LFHBYURZNZQQNK-UHFFFAOYSA-N 364.449 2.166 0 40 FEAB Cc1nc(C)c(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)o1 2037984991 UNUXCKRAQFZLBL-FQEVSTJZSA-N 369.421 2.187 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c2ccccc2n1 10331136 YLAXCDMLOLRSLL-KRWDZBQOSA-N 366.421 2.494 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H](CC)c2ccccc2)CC1 20807228 FUWGNFQICRJZSI-QZTJIDSGSA-N 350.459 2.289 0 40 FEAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCOCC1 22765963 QTYSVNHEIHQVSM-KRWDZBQOSA-N 364.442 2.456 0 40 FEAB COc1ccc(CCC(=O)N2C[C@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)cc1 1775975376 FTGBNWVLJFILTQ-QZTJIDSGSA-N 366.465 2.321 0 40 FEAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(Cl)cc1Cl 225634386 VTSGVQKJVXDISU-JQWIXIFHSA-N 362.209 2.161 0 40 FEAB O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 22090929 CMFNGXHSVFFZDC-QGZVFWFLSA-N 371.462 2.464 0 40 FEAB C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)CCO1 40024231 XTFNUMCNGIZVOM-ZDUSSCGKSA-N 357.410 2.109 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F 30329514 KALZNPRGYXGWEA-UHFFFAOYSA-N 374.434 2.076 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 50115602 XGOHCWGWUXUARD-UHFFFAOYSA-N 374.391 2.435 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1 51316400 LSSFEXGGRITQHZ-UHFFFAOYSA-N 353.378 2.318 0 40 FEAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)no1 32781041 OTLAJICNBVZWHJ-LBPRGKRZSA-N 367.402 2.162 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 41224364 WVTYIPRRULTSBG-CQSZACIVSA-N 368.455 2.357 0 40 FEAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1F)N(C)C 33047876 ZKRJTFGGDJTVRL-HNNXBMFYSA-N 352.431 2.416 0 40 FEAB O=C1COc2ccc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)cc2N1 33157837 NUACYNUNHPXLCO-MRXNPFEDSA-N 355.325 2.288 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)c1ccccc1 22958760 IGUPCFHQOZMABJ-GOSISDBHSA-N 358.463 2.426 0 40 FEAB CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 991173 SZCHLTWITQOIHH-UHFFFAOYSA-N 351.449 2.232 0 40 FEAB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(c2ccccc2F)C1 23228437 LQGQNGJWLMMOGB-AWEZNQCLSA-N 370.380 2.266 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 3434859 OYNKMQPHCQGKMS-UHFFFAOYSA-N 366.373 2.081 0 40 FEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC(C)C 6202994 PGEUHMSHLPVVRO-UHFFFAOYSA-N 356.488 2.080 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 1101491 GHLRQEIQXZGUMS-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB COCCN1C[C@H](c2cc(O)n3nc(-c4cccs4)c(C)c3n2)CC1=O 100775789 PYZGRROUUZIBNR-GFCCVEGCSA-N 372.450 2.434 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 100570988 LIZZRYDXAJTWFA-GVDBMIGSSA-N 354.406 2.051 0 40 FEAB CC(C)CN1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1 107362910 QLGHUPGMYUCMOM-WOJBJXKFSA-N 371.525 2.314 0 40 FEAB O=C(Cc1ccc(F)c(Br)c1)N1CCC2(CC1)OCCO2 54709681 CSTLSLQJKIYSFN-UHFFFAOYSA-N 358.207 2.496 0 40 FEAB CC(C)NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3294171 FEINHDOGRZRMKB-UHFFFAOYSA-N 366.373 2.169 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nn2C)CC1 35276930 YMFKTBZYFGCHDZ-UHFFFAOYSA-N 372.425 2.010 0 40 FEAB OC[C@H]1CC[C@@H](NC2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 100042123 MBIGCGKIWPYRLM-QAQDUYKDSA-N 363.502 2.113 0 40 FEAB biogenic,in-vitro CCOc1cccc([C@@H](C)NC(=O)CCn2nnc3ccccc3c2=O)c1 58180726 FORMTSSGIZZKFQ-CQSZACIVSA-N 366.421 2.458 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 12731785 BZGPSDWOOUDWIT-UHFFFAOYSA-N 360.845 2.222 0 40 FEAB CN1CCCN(C(=O)Nc2cccc(I)c2)CC1 95460823 RTXORIKOXXGOGF-UHFFFAOYSA-N 359.211 2.461 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2cccc(F)c2)c2ccccc2O1 11202933 ROHSJCXOWDCJRM-SFHVURJKSA-N 372.396 2.225 0 40 FEAB C[C@H](Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc(C(N)=O)cc1 46818864 HMUYXUNGJJYFAI-AWEZNQCLSA-N 363.421 2.469 0 40 FEAB CC(C)N(CCCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O 47042533 WAPIREMRMSLWRD-UHFFFAOYSA-N 350.843 2.269 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)CSc1nnc2ccccn12 12931132 QDCXPNWSMDUWOM-UHFFFAOYSA-N 356.407 2.271 0 40 FEAB CCc1nnc(NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)s1 13015314 JXWGLKQJGWCCOF-JTQLQIEISA-N 353.835 2.492 0 40 FEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1nccs1 9218377 PUIDSFVXARITFB-ZDUSSCGKSA-N 365.480 2.399 0 40 FEAB CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)[C@H](O)c1ccccc1F 72304136 CZLIJJUYAJPIMX-GDBMZVCRSA-N 373.388 2.063 0 40 FEAB Cc1ccc([C@@H]2Nc3ncnn3[C@@](O)(C(=O)O)[C@@H]2c2ccccc2)cc1 72332362 NIWGPNKZBWIVQQ-GJYPPUQNSA-N 350.378 2.267 0 40 FEAB C[S@](=O)c1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 65492627 PENUESAKAAOIEA-CRICUBBOSA-N 356.447 2.127 0 40 FEAB CCOC(=O)NC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14141576 PKMOGMGFWKRMDB-VMPITWQZSA-N 350.375 2.479 0 40 FEAB C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 14227730 QZMAWOZYOXIZQN-AWEZNQCLSA-N 374.462 2.087 0 40 FEAB CCOc1ccccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 4682153 NSNCZOBEZGXIOK-UHFFFAOYSA-N 373.497 2.021 0 40 FEAB CCOc1cc(Br)cc(/C=C2/NC(=O)N(CC)C2=O)c1O 4724072 TTYPCSQSFRDQFT-UXBLZVDNSA-N 355.188 2.466 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(OC(F)F)c1)C2=O 7407973 JMIBVFBOVCIXPN-UHFFFAOYSA-N 367.352 2.434 0 40 FEAB C[C@@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc2c(c1)OCO2 7703112 DZWRDKJRYVTYBB-SNVBAGLBSA-N 373.390 2.237 0 40 FEAB Cc1cccc(OCCNC(=O)CCc2c(C)nc3ncnn3c2C)c1 8074826 TWMVHNJQWNMBBI-UHFFFAOYSA-N 353.426 2.177 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc(OC)c1OC 8234714 XSCIMWXQFDWGCY-GFCCVEGCSA-N 362.426 2.442 0 40 FEAB Cc1cccc(Oc2ncccc2NC(=O)C(=O)N2CCC[C@@H](O)C2)c1C 84219233 NGHUITTYTOIEIE-OAHLLOKOSA-N 369.421 2.413 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 9926548 MRIVEXVONYJRKB-CYBMUJFWSA-N 370.327 2.134 0 40 FEAB Cc1ccccc1Cc1noc(COc2ccc(C(=O)NCCO)cc2)n1 75106461 XKHMLWMNSBIUEE-UHFFFAOYSA-N 367.405 2.270 0 40 FEAB C[C@H](c1ccccc1)N1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 504468668 SCRGRGKCTQTHEU-ATZDWAIDSA-N 370.474 2.262 0 40 FEAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 32797932 NLGQDQZKEQHAPJ-UHFFFAOYSA-N 362.407 2.008 0 40 FEAB CCOc1ccc2nc(-n3ccc4c(cnc5ncnn54)c3=O)sc2c1 38784090 ULDQZLVPFDPUMM-UHFFFAOYSA-N 364.390 2.437 0 40 FEAB CCCc1nc(SCC(=O)Nc2nnc(C)s2)[nH]c(=O)c1CC 35313289 SVBJSKODYJLBQZ-UHFFFAOYSA-N 353.473 2.176 0 40 FEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 46830849 QYNWHWNZZMOTSU-CVEARBPZSA-N 363.458 2.342 0 40 FEAB CCOC(=O)Cc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 223035554 LBHCJSOLESTEDZ-UHFFFAOYSA-N 357.391 2.114 0 40 FEAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(c2nsc3ccccc23)CC1 225513081 KUBOXIHYJNPQOB-ZDUSSCGKSA-N 367.478 2.473 0 40 FEAB C[C@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1cnn(C)c1 96111105 LFEGJEKPWZWSKX-HNNXBMFYSA-N 352.442 2.305 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@]2(CCCN(CC3CCOCC3)C2)C1 96071582 HMOVBUDULONWPN-NRFANRHFSA-N 357.498 2.365 0 40 FEAB Cc1ncsc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257304670 SMQNRHOLRDHZTK-LBPRGKRZSA-N 354.501 2.033 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1OC 257281856 ORGLJSNLUBJUSH-APWZRJJASA-N 353.422 2.316 0 40 FEAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 621424830 HWLWQRAUFNDWSI-FPCVCCKLSA-N 363.408 2.488 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3cc(F)cc4nccnc34)C[C@@H](C)O2)n1 628859097 QYUIVCXBZQBAMG-YMTOWFKASA-N 357.345 2.063 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)c1 664430031 MCDCOAREULSRKD-WCQYABFASA-N 374.890 2.156 0 40 FEAB CCc1ccc(CC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)nc1 667108204 ROKKSTGSIYSBJR-UHFFFAOYSA-N 373.478 2.060 0 40 FEAB O=C(Cc1cn2cc(F)ccc2n1)N1CCN[C@H](Cc2ccccc2)C1 1302181403 CIFRLVUWAQIYBQ-QGZVFWFLSA-N 352.413 2.059 0 40 FEAB CCc1c(C)ncnc1N1CCN(c2ncc(Br)cn2)CC1 1776009310 CWLQIPAWCTVFLK-UHFFFAOYSA-N 363.263 2.227 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCOCC2)C3)cc1 585104912 WXWFPISRUJRYLY-LJQANCHMSA-N 358.482 2.339 0 40 FEAB O=C(NCCN1CCOCC1)c1ccc(N2CCc3ccccc3C2)cc1 58245941 UEMOMOPPCNXFBF-UHFFFAOYSA-N 365.477 2.311 0 40 FEAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccccc1 5233147 WPYGCRWMUMREJK-DARAHFNDSA-N 372.421 2.121 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1ncccc1=O 11856221 VDGTXLVHCXVWRC-SNVBAGLBSA-N 356.209 2.134 0 40 FEAB Cc1ccc(CC(=O)N2CCc3c(O)nc(-c4cnccn4)nc3C2)cc1 13227051 JVWSXUZGLYQKSE-UHFFFAOYSA-N 361.405 2.075 0 40 FEAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)c1 15831855 APZAZHMIIYKTTC-SFHVURJKSA-N 358.438 2.465 0 40 FEAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16687977 QNLIEQNSLQATCR-UHFFFAOYSA-N 364.467 2.003 0 40 FEAB CCc1ccccc1Nc1noc2c1CN(C(=O)Cn1cc(C)nn1)CC2 19523063 JJHQBAYXZKDBCG-UHFFFAOYSA-N 366.425 2.465 0 40 FEAB COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590452 TZWLYBQABWRMCV-MRXNPFEDSA-N 366.465 2.493 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)Cn1cnc2sccc2c1=O 19715403 IMFMNEXLCQRYCX-UHFFFAOYSA-N 361.398 2.135 0 40 FEAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cccn3)CC2)c1 19749913 DWYMBNWYJALINQ-QGZVFWFLSA-N 370.453 2.045 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@H]3C)CC2=O)cc1OC 5201923 YDJFXBAOSXNEIM-KGLIPLIRSA-N 361.442 2.393 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 253389617 SZSNPNCTSHASFJ-RWFNKYGDSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro CSc1ncc(C)c(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 1888864373 YJIBVGABRNLCKF-UHFFFAOYSA-N 374.392 2.231 0 40 FEAB c1cc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nc(C2CC2)n1 1888865735 PSBKHPRJJKLDLD-UHFFFAOYSA-N 351.458 2.071 0 40 FEAB COc1nccnc1N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1889179468 ASEBRBOPDTVPEP-UHFFFAOYSA-N 369.400 2.251 0 40 FEAB O=C1N[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1nccs1)C2 2037873524 SRLXSAVUOHWTJA-HHXXYDBFSA-N 357.479 2.347 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCCn3cncn3)C2)cc1C 2037913061 NKRRPXKRQUZGTD-HXUWFJFHSA-N 372.469 2.108 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565555791 PGXNMMKANJGSJR-DZGCQCFKSA-N 356.438 2.453 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)cc1 4503860 AMKMQOJSYSBLIC-UHFFFAOYSA-N 368.418 2.331 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC 8895985 OQWKZEFTFIAAHZ-CQSZACIVSA-N 370.496 2.347 0 40 FEAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O 9828198 YPDHFPABONOBDX-UHFFFAOYSA-N 364.398 2.481 0 40 FEAB O=C(Cc1ccc(F)cc1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 16847383 BNEHDXVNQOWTTP-GOSISDBHSA-N 356.397 2.085 0 40 FEAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccco2)C1 2055747070 COYOWLMBROQAIY-LJQANCHMSA-N 361.417 2.238 0 40 FEAB CCc1cc(N2CCN(Cc3n[nH]c4c3CCC4)CC2)nc(SC)n1 2086861328 FARXYJFVJPRIJU-UHFFFAOYSA-N 358.515 2.295 0 40 FEAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NC1CC1 55142584 YCIIXMPOOIGEFG-UHFFFAOYSA-N 358.423 2.178 0 40 FEAB CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 40050258 YJOYLVGOMJLOED-UHFFFAOYSA-N 370.428 2.241 0 40 FEAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 21821252 RNKWUNAOJFEDPM-UHFFFAOYSA-N 364.375 2.402 0 40 FEAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 41396247 MWFGYEZNHBKLQZ-UHFFFAOYSA-N 364.854 2.487 0 40 FEAB O=C(OCC(=O)N1CCNC1=O)c1ccc(C2SCCCS2)cc1 23065296 WHVSEPQZCYATIM-UHFFFAOYSA-N 366.464 2.264 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 23014200 QYPFZPGEQTWOSE-OAHLLOKOSA-N 374.824 2.416 0 40 FEAB CC(C)(C)OC(=O)C(=O)N1CCC[C@@H]1COC(=O)c1ccc(F)c(F)c1 79072761 ZUNWGAKUCFEKOJ-GFCCVEGCSA-N 369.364 2.454 0 40 FEAB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C)nc3)CC2)c1 23150122 AJHPLULZRNOQFJ-UHFFFAOYSA-N 355.438 2.365 0 40 FEAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccs2)CC1 3358186 HUSQOJGLUBKESM-UHFFFAOYSA-N 357.482 2.244 0 40 FEAB Cn1c(=O)c2c(nc(C(c3ccccc3)c3ccccc3)n2C)n(C)c1=O 4353616 OSIZLAHFCVQLSN-UHFFFAOYSA-N 360.417 2.151 0 40 FEAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1(c2ccccc2)CCC1 54995904 WJEHUAFGNMBHBB-OAHLLOKOSA-N 353.509 2.145 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)ccc2OC)C1=O 6879597 RKQQQEQBSAEGSH-ZROIWOOFSA-N 364.423 2.266 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccccc1 7295850 YUGGDRDDKTVACN-CYBMUJFWSA-N 356.353 2.361 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(=O)[nH]c2ccccc12 7988822 RZCWWUTVUOTIQL-UHFFFAOYSA-N 368.389 2.484 0 40 FEAB COc1ccc([C@H](C)O)cc1CC(=O)Nc1ccc(N2CCOCC2)nc1 24763830 YFAMJXMFNFYACZ-AWEZNQCLSA-N 371.437 2.161 0 40 FEAB CCOCCCNC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 12556738 YNBDUXSOTJZYNI-HNNXBMFYSA-N 355.504 2.314 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O 10449165 MQEPKQQQQLYIMR-UHFFFAOYSA-N 374.462 2.359 0 40 FEAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCS(=O)(=O)C3)c2cc1Cl 10993068 CGYURNBCKVHARM-SNVBAGLBSA-N 370.810 2.233 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 8961798 HPDIZYJBLUUMSW-UHFFFAOYSA-N 362.407 2.008 0 40 FEAB CC(C)[C@@H](CNC(=O)CNC(=O)c1ccco1)N1CCc2ccccc2C1 25537899 SHZWCIXHMXTLTD-GOSISDBHSA-N 369.465 2.209 0 40 FEAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57481776 RQWVFINTLYGODA-GFCCVEGCSA-N 368.352 2.134 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)/N=c1\sccn1C 51061876 OMSKWINHQXXGEW-BGRJGLOKSA-N 374.285 2.156 0 40 FEAB COc1ccc(C(=O)NCCCN2CCCC2=O)cc1Br 10213362 CNUBLEMVPRWDLR-UHFFFAOYSA-N 355.232 2.200 0 40 FEAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58298823 YAMCZMNOHHBNLT-MJGOQNOKSA-N 355.486 2.483 0 40 FEAB Cc1ccc(N2C(=O)N[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1 2263807 XRNUVCPRPYMOLV-HNNXBMFYSA-N 357.332 2.472 0 40 FEAB CCOC(=O)CN(C(=O)COC(=O)c1cccc(OC)c1)c1ccccc1 3342119 FXOMVONIFHAULO-UHFFFAOYSA-N 371.389 2.448 0 40 FEAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 48301890 HKHHNAVAPVXWCO-IYBDPMFKSA-N 370.497 2.389 0 40 FEAB CCOC(=O)Nc1ccc2c(COC(=O)Cn3cccn3)cc(=O)oc2c1 11117282 YHTWUOZTASPYHQ-UHFFFAOYSA-N 371.349 2.301 0 40 FEAB Cc1ccc(C)c(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 12864701 GDWLKQGLUWPSNA-UHFFFAOYSA-N 363.483 2.415 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 59934733 UBTVNFGFNUZTBS-UHFFFAOYSA-N 370.434 2.375 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1 46744970 TZRKUGDWLNAYRM-MRXNPFEDSA-N 364.490 2.229 0 40 FEAB C[C@]1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1 3423061 PVMHGAWGUHOLNX-IBGZPJMESA-N 359.447 2.426 0 40 FEAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CC1 26971702 HSEHFHKHQNTITC-LBPRGKRZSA-N 374.824 2.374 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OC)c(I)c1 113941916 DZURYWHRSQJNBX-UHFFFAOYSA-N 369.224 2.378 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(C(=O)c2ccco2)CC1 49006243 FEKRTYGWLOXASX-UHFFFAOYSA-N 370.434 2.433 0 40 FEAB CC[C@@H](C)N1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4073708 HGBSRNPBYMTEGJ-ODXCJYRJSA-N 355.438 2.417 0 40 FEAB biogenic C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 408917906 COUNILBNZAVBMB-KNPMLCFXSA-N 354.189 2.189 0 40 FEAB Cc1cc2ncn(-c3ccc(S(=O)(=O)N4CCOCC4)cn3)c2cc1C 6244400 WFQLDNYTBFIEKF-UHFFFAOYSA-N 372.450 2.058 0 40 FEAB Cc1ccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1-n1cnnn1 65361417 OKBMEUVILANKMP-HNNXBMFYSA-N 357.462 2.213 0 40 FEAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14182389 XVTVNVQYGKWBKO-ZDUSSCGKSA-N 369.396 2.439 0 40 FEAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14268409 PFNKFFXTWDSENS-UHFFFAOYSA-N 369.381 2.015 0 40 FEAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1cccnc1 5427754 SAAQZTRIRXLZRP-NRFANRHFSA-N 365.433 2.332 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)c1nnn(-c2cccc3cnccc23)c1C 66619810 DJNMYFHNMPWHAU-MRXNPFEDSA-N 364.453 2.338 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NCC(C)(C)N3CCCCC3)cnc12 9316856 HZNMIOWDVBWHIS-UHFFFAOYSA-N 356.470 2.086 0 40 FEAB COc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)cc1[N+](=O)[O-] 16091894 SYQSVBPYYCFLAZ-UHFFFAOYSA-N 366.351 2.330 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccn1 7719280 SYEPTCSDTWUNLS-ORAYPTAESA-N 350.422 2.488 0 40 FEAB CC(=O)Cc1nsc(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)n1 8021152 FFCGPQNMAJMZOG-LLVKDONJSA-N 365.798 2.043 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(NC(C)=O)n2)c1C 8275164 VATJZPJLLVGOOB-UHFFFAOYSA-N 351.384 2.190 0 40 FEAB Cc1cc(=O)c(C(=O)NCCOc2ccccc2)nn1-c1ccccc1F 17850290 HEASGHABWLRPCD-UHFFFAOYSA-N 367.380 2.489 0 40 FEAB C[C@@H](C(=O)NC[C@](O)(Cc1ccccc1)c1ccccc1)n1cncn1 72304406 ZGAQSHMWIMRSLR-OXJNMPFZSA-N 350.422 2.086 0 40 FEAB O=C(NCc1ccccn1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72402905 TZESXRMGLLSOJO-UHFFFAOYSA-N 371.400 2.165 0 40 FEAB O=C(CN(C[C@H]1CCCO1)C(=O)C1=Cc2ccccc2OC1)N1CCCC1 72533947 PHRCAQDGZAOVBF-GOSISDBHSA-N 370.449 2.092 0 40 FEAB CC(C)(C)OC(=O)[C@H](O)CNC(=O)c1cc(Br)ccc1F 95456536 ZWHLVQXVZVELPF-LLVKDONJSA-N 362.195 2.021 0 40 FEAB COC(=O)c1cc(C(=O)OC)n(Cc2ccc(OC(F)(F)F)cc2)n1 95452302 RWVKRNPWIYHRRT-UHFFFAOYSA-N 358.272 2.403 0 40 FEAB Cn1nccc1-c1ccc2nnc(C3CCN(Cc4ccoc4)CC3)n2n1 306142039 WNMZSFDXAQHUFM-UHFFFAOYSA-N 363.425 2.497 0 40 FEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1 33900111 AWOBNFLQJMXKNX-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1NS(C)(=O)=O 30480892 YQHYCAISRZQJFJ-UHFFFAOYSA-N 366.414 2.314 0 40 FEAB Cc1ccc2nc(CN(C)Cc3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1 533294571 GPWVDHNDOYFAJT-UHFFFAOYSA-N 371.462 2.038 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 35088665 YYURVCYQHWNCOP-BBWFWOEESA-N 356.507 2.353 0 40 FEAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218499836 CGAXNVHIDJRLBD-SOLBZPMBSA-N 363.410 2.026 0 40 FEAB CCS(=O)(=O)N1CCC(n2nc(-c3cc(C)oc3C)ccc2=O)CC1 72342430 QUZLZAFNOFSELT-UHFFFAOYSA-N 365.455 2.107 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1 44841848 CQRIYSHTJCHEAS-UHFFFAOYSA-N 360.797 2.390 0 40 FEAB Cc1nc(-c2ccccc2)sc1CC(=O)NC[C@H]1CCS(=O)(=O)C1 42383873 MYIFDSOPWNBFLI-CYBMUJFWSA-N 364.492 2.212 0 40 FEAB COc1ccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 47227881 OWTYNXIWCWLKRP-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB COc1cc2nc(C)n(CCNC(=O)c3ccccc3)c(=O)c2cc1OC 85875908 YQJOYPYQWBDYDI-UHFFFAOYSA-N 367.405 2.152 0 40 FEAB biogenic O=C(c1ccccn1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96049405 ASBWHDHLAAVIKW-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2cccc3c2n(c1=O)CCC3 95472875 OTEKVWGNRTXUPD-AWEZNQCLSA-N 367.405 2.380 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)C3CCCC3)C2)C1 96074343 OJGNTFPJBPIRLZ-IBGZPJMESA-N 356.426 2.348 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)s1 248026986 JXSJKGGZKYYWTQ-OAHLLOKOSA-N 374.510 2.201 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@H](CCOc4ncccn4)CCO3)C2)cs1 248013984 GWWCBMXREZDHKQ-CQSZACIVSA-N 374.466 2.332 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)s1 247823155 HOUKRSQXPFSKKK-CQSZACIVSA-N 368.466 2.427 0 40 FEAB CN(C)C(=O)COC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 248043476 VYJDWRUFNUGQSP-QGZVFWFLSA-N 367.453 2.026 0 40 FEAB O=C(C1CCOCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 247875203 SPTXACCEVYOYLA-IBGZPJMESA-N 355.438 2.237 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)CC1 257268149 MKLIOWOSAYQRBE-SAABIXHNSA-N 372.513 2.376 0 40 FEAB CCCc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)no1 257310227 UEGOBRKMPBXCBS-UHFFFAOYSA-N 357.458 2.231 0 40 FEAB COCc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1 257228193 FSTIALVZFFNSFJ-SFHVURJKSA-N 355.438 2.405 0 40 FEAB CCN(C[C@H]1CCCN1CC)C(=O)c1cn(CC)nc1-c1cnn(C)c1 585083138 WEBJNRLNKRTYJT-MRXNPFEDSA-N 358.490 2.250 0 40 FEAB C[C@@H](C(=O)NCc1cccc2c1OCCCO2)n1nnnc1C(C)(C)C 272265508 RAYDRJCOCFSQBP-LBPRGKRZSA-N 359.430 2.009 0 40 FEAB CC1CCC(NS(=O)(=O)CC(=O)N2CCC=C(c3ccco3)C2)CC1 672066609 IQEPIJLAMATOKH-UHFFFAOYSA-N 366.483 2.393 0 40 FEAB CC1(C)CCc2nc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)ncc2C1 298826465 ZHAZBUQCBMATEN-LBPRGKRZSA-N 351.472 2.145 0 40 FEAB Cc1nc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cs1 390832371 ZANGIOFGTUYRHP-UHFFFAOYSA-N 361.452 2.095 0 40 FEAB C[C@H]1Cc2nnc(COCC3CCC3)n2CCN1C(=O)c1ccncc1 585098753 YZDSHXUSKYUXPU-AWEZNQCLSA-N 355.442 2.077 0 40 FEAB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)c3ccccc3C2)c(C)[nH]1 677904081 JPBDPQXTTYNINY-UHFFFAOYSA-N 361.467 2.096 0 40 FEAB COCCNC(=O)N1CCN(c2nc3ccc(SC)cc3s2)CC1 44224918 YFSDKQPQHPVFKJ-UHFFFAOYSA-N 366.512 2.496 0 40 FEAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 55245684 DSAKGMPNLUGZLC-QGZVFWFLSA-N 366.483 2.284 0 40 FEAB CN(C)c1nccc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1 301341871 GTDKORFCWNSMJC-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB CN1CCCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595821 MQAIJUPEHJBBOG-DYXWJJEUSA-N 369.509 2.242 0 40 FEAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)NC1CCCC1 12117566 DAMLXXTUHIZCTP-UHFFFAOYSA-N 356.451 2.367 0 40 FEAB Cc1nn2c(nc(N(C)[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c1Cl 14111209 LBIZXMPFWVKGQS-LLVKDONJSA-N 364.858 2.468 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccncc1 14848493 CCLPSJWETKFGKB-UHFFFAOYSA-N 364.331 2.014 0 40 FEAB CN(C)c1cc(CNC(=O)c2cc(C3CC3)on2)nc(-c2cccnc2)n1 19584527 SFQNFQSGVYUQCA-UHFFFAOYSA-N 364.409 2.400 0 40 FEAB O=C(O)CCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 3904532 VKGITFIUIGCQGE-YNHQPCIGSA-N 356.378 2.025 0 40 FEAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)CC1 4107673 SLQIFNRBXIEPQD-LLVKDONJSA-N 353.513 2.168 0 40 FEAB O=C(NC1=NCCS1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2620796 TWRBEOVSETYJJL-CQSZACIVSA-N 355.419 2.066 0 40 FEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC(=O)Nc1ccccc1F 5992433 RSNOOIODLVMWAX-UHFFFAOYSA-N 359.144 2.038 0 40 FEAB COCc1nsc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1 1888844178 UJTMCACLPNVGCJ-UHFFFAOYSA-N 360.487 2.295 0 40 FEAB CC(C)(N)C(=O)N1CCC[C@@H](c2cccc(-c3cnn4cccnc34)n2)C1 2037844238 QBZIMWFKRNVDJD-CQSZACIVSA-N 364.453 2.235 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)c1 1565541675 LVDOWLWYYFWRIC-UXHICEINSA-N 351.450 2.424 0 40 FEAB COCCN1CC[C@@]2(CCCN(C(=O)c3cccc(Cl)n3)CC2)C1=O 1565553954 NFXSSQFJXJGORY-SFHVURJKSA-N 365.861 2.226 0 40 FEAB COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N)c1 4537179 BGJKQDDGSUSARJ-UHFFFAOYSA-N 361.452 2.460 0 40 FEAB O=C(NC[C@@H](c1cccs1)n1cccn1)[C@H]1COc2ccccc2O1 575612620 BKIJJZVDDHGXBJ-XJKSGUPXSA-N 355.419 2.490 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(C[C@@H]2CCOC2)CC1 585501293 YUGMPZRFQFVGLP-KRWDZBQOSA-N 354.454 2.054 0 40 FEAB CN1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1=O 19587355 RZHQSMRAILJILG-BOLBYERCSA-N 373.472 2.131 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccc(C(=O)NC4CC4)cc3)nc2s1 40040201 QGUXGQNCQOLSQB-UHFFFAOYSA-N 369.450 2.218 0 40 FEAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc2c(c1)OCCO2 40162220 LGVSLCFYQUCZLV-SGTLLEGYSA-N 353.374 2.417 0 40 FEAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1ccc(-n2cccn2)nc1 40145981 VHIWCVXQWWQJMW-GFCCVEGCSA-N 368.363 2.273 0 40 FEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccccc21 30938450 NVRJMVWICNJCCY-OAHLLOKOSA-N 368.361 2.131 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(OC)c(C)cc2C)CC1 31903939 UQDBQFAQOVPIBX-UHFFFAOYSA-N 355.456 2.276 0 40 FEAB CN1CCN(Cn2ncc(Cl)c(Cl)c2=O)[C@@H](c2ccccc2)C1 32935377 GGQMVTKLJIEDOX-CQSZACIVSA-N 353.253 2.496 0 40 FEAB CN1CCN(CCCCNC(=O)Cc2ccc(Br)cc2)CC1 41362179 DJDMDKXCXQLCBC-UHFFFAOYSA-N 368.319 2.135 0 40 FEAB CNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2F)cc1Br 32933253 PLPYSOTXNHFSQE-QMMMGPOBSA-N 370.178 2.065 0 40 FEAB O=C(NCc1cccc(N2CCOC2=O)c1)c1cc(=O)[nH]c2ccccc12 47229324 YEFQGSKRWMDMPH-UHFFFAOYSA-N 363.373 2.415 0 40 FEAB Cc1ccc2cc(CN(CCO)C(=S)NCC(C)C)c(=O)[nH]c2c1C 4132268 GZINSWGCCYXKQB-UHFFFAOYSA-N 361.511 2.470 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3cn[nH]c3ncn2n1 6412861 ZDQQCIVKQFMOAT-ZETCQYMHSA-N 350.308 2.328 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 7070691 BZCZHLQZSVHXRJ-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 7323299 HPYFNEBFFNYLSA-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 1263375 NBYQJYQCBYELLK-FOCLMDBBSA-N 369.377 2.325 0 40 FEAB O=C(O)COc1c(Br)cc(C(=O)O)cc1Br 7604131 UNVRYFBQUAPMCI-UHFFFAOYSA-N 353.950 2.373 0 40 FEAB COc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 8169289 ZEVDWYINPKSTKP-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB COc1ccccc1CNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 100217098 IXAHKXVOOZXLBH-XGHQBKJUSA-N 364.401 2.399 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O 108532501 DQGBIINGZJBVBO-HXUWFJFHSA-N 353.470 2.220 0 40 FEAB CCOC(=O)c1ccc(/N=c2/sc(C(=O)OC)cc(=O)n2C2CC2)cc1 100637736 PKGRPJGXPVLJTG-VHEBQXMUSA-N 374.418 2.440 0 40 FEAB COc1cc(OC)cc(C(=O)NCCn2cc(Br)cn2)c1 28242807 MKXONCPAQXLOME-UHFFFAOYSA-N 354.204 2.093 0 40 FEAB NC(=O)Nc1cccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1 95998000 OCEIDGHMWJGZNF-UHFFFAOYSA-N 362.393 2.133 0 40 FEAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051285 DULRQUCFYJFBFL-GFCCVEGCSA-N 369.464 2.138 0 40 FEAB NC(=O)c1ccccc1NCc1cc(=O)n2cc(Br)ccc2n1 10844750 MNVRRTNYCNSMAT-UHFFFAOYSA-N 373.210 2.168 0 40 FEAB CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCO1 12885088 ZNYMPKHAKLOQSV-CQSZACIVSA-N 369.259 2.206 0 40 FEAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1ncc(Cl)c(Cl)c1=O 2619396 OPHIFKWPHODWQF-MRVPVSSYSA-N 370.192 2.156 0 40 FEAB Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1 2769081 DSCQFPVSTRSLER-UHFFFAOYSA-N 371.422 2.150 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CCNC(=O)c1cccs1 12975528 CFRRFCQKVPXFPJ-UHFFFAOYSA-N 361.423 2.474 0 40 FEAB CCOC(=O)c1cccc(OC[C@@H](O)Cn2cnc3sccc3c2=O)c1 12979000 BYPNRJJUMIJCDW-ZDUSSCGKSA-N 374.418 2.075 0 40 FEAB COC(=O)c1sccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 13719383 GXWLNYKJMBSUIV-UHFFFAOYSA-N 371.418 2.313 0 40 FEAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 65250870 KHHVWSBJFBJLPQ-UHFFFAOYSA-N 350.338 2.149 0 40 FEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@@H](O)c1ccccc1 6659125 GWJFSDPDDYMKFZ-SUMWQHHRSA-N 353.374 2.410 0 40 FEAB biogenic C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1sccc1C(N)=O 9322794 HANFNJAKWMXPSF-JTQLQIEISA-N 361.423 2.097 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C 6899496 JTVXAKBJXWAESZ-YRGRVCCFSA-N 360.487 2.087 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)OCC(F)(F)C(F)F 15188353 RDXBMMHFPRBJRS-SDDRHHMPSA-N 367.339 2.308 0 40 FEAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CCCCC1 9419601 YMSVOUUZZZHPNY-KRWDZBQOSA-N 357.454 2.379 0 40 FEAB CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCCCC2)=C1C(=O)OC 67287851 LLUYJQOAPQFMMX-GOSISDBHSA-N 373.453 2.352 0 40 FEAB O=Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 7897589 FWTXTOGDUUNUGH-UHFFFAOYSA-N 370.380 2.144 0 40 FEAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CCNC(=O)C4)sc32)cc1 8314536 VXSAUGHIASGGND-UHFFFAOYSA-N 368.462 2.335 0 40 FEAB CCCOC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@@H](C)C2 17075723 XYVKIYVPZBZVFM-SNVBAGLBSA-N 369.439 2.479 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2[nH]cnc2c1 8628437 MNHAAEWRNSSWEE-UHFFFAOYSA-N 354.385 2.481 0 40 FEAB COC(=O)[C@@H](NC(=O)c1noc(-c2cc(F)cc(F)c2)n1)C(C)(C)C 75091968 KIRUQAZJRNSTGQ-LLVKDONJSA-N 353.325 2.332 0 40 FEAB O=S(=O)(c1cnc2ccsc2c1)N1CC2(CCC2)[C@H]2COC[C@H]21 514848788 PQDWAMNQUKIVGG-GXTWGEPZSA-N 350.465 2.486 0 40 FEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)Cn3cccn3)c12 36612076 BGQQHWNACGQMIR-GFCCVEGCSA-N 352.442 2.417 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCOc3c2c(C)nn3C)cc1C 539419166 YPHUMSVBFVDPHA-UHFFFAOYSA-N 351.428 2.023 0 40 FEAB Cc1ccsc1[C@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 75155250 MWVVFRUVLLHINF-CQSZACIVSA-N 353.465 2.070 0 40 FEAB COc1ccc(Cn2ccn(Cc3cccc(OC)c3)c(=O)c2=O)cc1 6840288 YHZUHZFDURMYSS-UHFFFAOYSA-N 352.390 2.124 0 40 FEAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 35360303 RVCBCMYGHRUFDK-VCBZYWHSSA-N 351.450 2.083 0 40 FEAB CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 30755118 MKYSNKYIKRDUKF-UHFFFAOYSA-N 365.430 2.102 0 40 FEAB O=C(O)[C@@H](c1ccccc1C(F)(F)F)N1CCN(c2ncccn2)CC1 566357670 HTWWLABNIFHXSV-CQSZACIVSA-N 366.343 2.443 0 40 FEAB COc1ccc(CCNC(=O)Cn2sc3ccccc3c2=O)cc1OC 40283805 SIAICHKKASMLGK-UHFFFAOYSA-N 372.446 2.439 0 40 FEAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 43941852 HQTWIOWTWBBDHA-UHFFFAOYSA-N 371.796 2.012 0 40 FEAB Cc1ccc(C(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccccc1 224287341 DKOYXPQLNNVFKO-UHFFFAOYSA-N 374.462 2.293 0 40 FEAB Cc1ccc(C)c(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 224017378 UODAAFSXKCJRCG-CALCHBBNSA-N 370.449 2.140 0 40 FEAB COCc1nc(CNc2nc(C)nc3c2Cc2ccccc2OC3)no1 96148409 JLJDSHNUBAUGTE-UHFFFAOYSA-N 353.382 2.410 0 40 FEAB O=C(c1cccs1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96049649 BLJKUWVWOOXJEJ-SFHVURJKSA-N 358.467 2.297 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccoc2)Cc2cccn2C1 247470608 FISHRAXEOHGRMJ-GOSISDBHSA-N 350.422 2.425 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(S(=O)(=O)C(C)C)C2)cn1 257327545 XBTUMKIHMLUAPP-CQSZACIVSA-N 364.471 2.351 0 40 FEAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2cccn2C1 585095071 CSXXLRVDHHIGRV-AWEZNQCLSA-N 353.513 2.121 0 40 FEAB COc1cccc(C(=O)N2CC=C[C@H]2C(=O)NCCc2ccccc2)c1 12144947 INJXPNASIGMJGH-IBGZPJMESA-N 350.418 2.435 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccc(F)cc1 14399021 CJIUYKAFEABOBF-UHFFFAOYSA-N 354.403 2.281 0 40 FEAB Cn1c(CCNC(=O)c2cnc(N3CCCCC3)nc2)nc2ccccc21 19289922 TZGOUAMFFGDDDA-UHFFFAOYSA-N 364.453 2.326 0 40 FEAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccco1 4890632 ZYOJUNPBVQVGJP-ZDUSSCGKSA-N 356.378 2.268 0 40 FEAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1F 1888906244 SECKZNKDMXOPGM-UHFFFAOYSA-N 370.436 2.215 0 40 FEAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)ncnc21 1888910666 MJRCSSMVIDEYCI-HZPDHXFCSA-N 362.437 2.055 0 40 FEAB COc1nn(C)cc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 238897870 RFDBWPFSOXNHAV-HUUCEWRRSA-N 367.409 2.144 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCn3ccnc3)C2)cc1C 2037913204 ZFWNECUYWXPJSV-FQEVSTJZSA-N 357.454 2.323 0 40 FEAB Cc1csc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 4479724 XYXVVHYVQFPULM-LLVKDONJSA-N 374.422 2.150 0 40 FEAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1 4569529 LTYOFGDYPHLCAY-CQSZACIVSA-N 368.455 2.470 0 40 FEAB O=C(NCC1(N2CCOCC2)CCSCC1)c1ccc(F)c(F)c1 1775976432 ZZPHATUXCQPNPD-UHFFFAOYSA-N 356.438 2.293 0 40 FEAB O=C(Nc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cn1)C1CC1 2298052395 YKLGMGLKDIOWFN-UHFFFAOYSA-N 364.453 2.424 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 40068837 ZNKYMOZSQWDVAB-BXUZGUMPSA-N 367.243 2.097 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)c1nc(N2CCCCC2)ncc1Cl 40141719 HCOIESGVIZRBMV-ZDUSSCGKSA-N 368.865 2.438 0 40 FEAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCOc1ccccc1F 31390015 ZYNNDUBEYQPCIA-UHFFFAOYSA-N 358.369 2.284 0 40 FEAB Cc1[nH]nc2c1[C@@H](c1cccc(Br)c1)c1c([nH]c(=O)[nH]c1=O)N2 31809448 VRTKCPOPDCWTTC-SNVBAGLBSA-N 374.198 2.094 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCNC(=O)C1 21918938 GFCLLLKVTLNVAP-LJQANCHMSA-N 353.422 2.197 0 40 FEAB CC(C)[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 41931176 KDSNVSBAOIAJOV-IRXDYDNUSA-N 352.500 2.214 0 40 FEAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccc(F)cc1F 42309946 BHUZCXBMALHTHX-INIZCTEOSA-N 357.426 2.294 0 40 FEAB COC(=O)[C@@H](C)n1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 958464 MFYROVHOMINIMN-SNVBAGLBSA-N 352.412 2.313 0 40 FEAB O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCN(C2CCCC2)CC1 104840030 NMCOKLKAHIYLMI-NRFANRHFSA-N 371.525 2.271 0 40 FEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(C(=O)OC)cc2)C1=O 1161013 GBKLANZOISYIAF-PEHNMLCRSA-N 363.391 2.461 0 40 FEAB Cc1noc(C)c1COc1cccc(C(=O)NCCNC(=O)C2CC2)c1 25695483 LMFIHGOAVGQQEF-UHFFFAOYSA-N 357.410 2.126 0 40 FEAB COc1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1OC 10030045 SVRPGBAOYXUESM-GOSISDBHSA-N 356.378 2.456 0 40 FEAB Cn1cc(-c2nc(C(=O)NCCc3ccc4c(c3)OCO4)cs2)cn1 48234885 DUKYELFYXMSYAF-UHFFFAOYSA-N 356.407 2.245 0 40 FEAB CCn1c(=O)[nH]c2cc(C(=O)N(CC(C)C)CC(F)(F)F)ccc2c1=O 58191794 XHTPOTYXPWZOPS-UHFFFAOYSA-N 371.359 2.370 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 25594352 PKKJIRYNYZJEBJ-ACJLOTCBSA-N 364.467 2.116 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12 58215242 PDCFYGCTTYZQNN-UHFFFAOYSA-N 362.433 2.247 0 40 FEAB COc1ccc(C(=O)OCC(O)COC(=O)c2ccc(OC)cc2)cc1 2187280 NUHNUMYNLZBTIA-UHFFFAOYSA-N 360.362 2.079 0 40 FEAB CCCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O 101453369 YGLWJFVJFXUNDH-UHFFFAOYSA-N 363.395 2.263 0 40 FEAB CCCCn1nccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 84755584 WIUNJZFUMUXZAG-UHFFFAOYSA-N 354.432 2.087 0 40 FEAB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C 29475467 HRIZZTBKEMRGJC-ZDUSSCGKSA-N 362.451 2.484 0 40 FEAB COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)no2)cc1 11915050 ICCKADFZPPFDRD-UHFFFAOYSA-N 373.390 2.250 0 40 FEAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 2655886 SBCCHSDTXZLVBV-AWEZNQCLSA-N 371.393 2.080 0 40 FEAB O=C(OCc1coc(-c2cccs2)n1)c1cnc2n(c1=O)CCS2 12996435 RVJANVIFLXHEIQ-UHFFFAOYSA-N 361.404 2.423 0 40 FEAB CCn1c(=O)n(CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc21 12917683 LTDFTZOLAIRISU-UHFFFAOYSA-N 364.405 2.198 0 40 FEAB CCn1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)cn1 96001892 UIZQUWGJZIORNZ-HNNXBMFYSA-N 369.429 2.444 0 40 FEAB CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(F)cc3[nH]cnc23)no1 96000956 TXFBBUCDLVHZPR-CYBMUJFWSA-N 359.361 2.422 0 40 FEAB COc1cccc2[nH]c(C(=O)NCC(=O)Nc3ccc4c(c3)OCO4)cc12 13691599 HULBVMYURGITDW-UHFFFAOYSA-N 367.361 2.274 0 40 FEAB O=C(NCCc1cc(F)cc(F)c1)c1ccc2c(=O)[nH]c(S)nc2c1 65515261 KCGZNLTZWSEJPT-UHFFFAOYSA-N 361.373 2.463 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([S@](C)=O)cc1 65518148 WBUNMWMWFNGQFE-RUZDIDTESA-N 360.435 2.387 0 40 FEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@@H](C)CC)c(=O)[nH]c1=O 14250076 WQOKSWVROTZXIV-LBPRGKRZSA-N 362.430 2.091 0 40 FEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1nc2ccccc2[nH]1 96232534 MKCRFDNXEGLELH-INIZCTEOSA-N 350.378 2.011 0 40 FEAB O=C(c1ccc(F)cc1F)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331312 BZDJHJASFCRBJA-UHFFFAOYSA-N 358.344 2.019 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccccc3)o1)CS2 5876087 RBIDYMWRLXVDRA-PXAZEXFGSA-N 359.407 2.234 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 7026713 SSKMJIZLGINARU-UHFFFAOYSA-N 373.390 2.465 0 40 FEAB CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 67523774 KHAOBKUVBLJBDE-KRWDZBQOSA-N 358.417 2.419 0 40 FEAB CC(C)CCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704770 SOQILKYXTLNVIX-UHFFFAOYSA-N 370.471 2.124 0 40 FEAB COC(=O)C1CCN(C(=O)COC(=O)c2csc3c2CCCC3)CC1 7783453 NJDMXVOURLBVKL-UHFFFAOYSA-N 365.451 2.195 0 40 FEAB O=C(C1CCN(c2ncnc3sc4c(c23)CCC4)CC1)N1CCOCC1 9577015 ZYTKJXLXSBYCJP-UHFFFAOYSA-N 372.494 2.255 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F 7991227 JLCFJNZTUINILZ-IPYPFGDCSA-N 353.300 2.045 0 40 FEAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 8263697 MBHLTIQSJKBKBL-CYBMUJFWSA-N 364.829 2.105 0 40 FEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccccc1 8314301 YKOKDDAETFUKOF-UHFFFAOYSA-N 357.385 2.043 0 40 FEAB CSc1nc(COC(=O)c2c(NC(C)=O)sc(C)c2C)cc(=O)[nH]1 8425049 OSTODQBGKINESK-UHFFFAOYSA-N 367.452 2.486 0 40 FEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(O)c(OC)c1 8671074 IRKVTFDZQUAXJS-KWQFWETISA-N 353.421 2.177 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 9667893 RBXLZJMTLKVXJM-UHFFFAOYSA-N 362.407 2.071 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccncc2)ccc1OC 408586147 MBBRXBALQPKERC-UHFFFAOYSA-N 365.411 2.137 0 40 FEAB Cc1cnc(OC2CCN(C(=O)c3cccc4c3OCCO4)CC2)nc1 655259230 FLABEATVQPLZPZ-UHFFFAOYSA-N 355.394 2.240 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC1CC1 409241252 JUJJMFVFGINBHC-UHFFFAOYSA-N 372.490 2.419 0 40 FEAB O=C(Nc1ccccc1N=c1cc[nH]cc1)c1cn(C[C@@H]2CCOC2)nn1 529223671 VSEXZIBIJYJJBI-AWEZNQCLSA-N 364.409 2.127 0 40 FEAB O=C(c1[nH]nc2c1CCCC2)N1CCN(CCOc2ccccc2)CC1 32809669 XFDMYWVWVQLWKS-UHFFFAOYSA-N 354.454 2.125 0 40 FEAB C[C@H](CNC(=O)c1snc(C(=O)N2CCCC2)c1N)c1ccccc1 62006789 NAQGEBGDUVMGHM-GFCCVEGCSA-N 358.467 2.495 0 40 FEAB CCOC(=O)c1ccc(OC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 32994660 GSAFODKTZZOWJY-UHFFFAOYSA-N 374.393 2.023 0 40 FEAB Cc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1 31807018 JUMJSTBLSBTHFJ-UHFFFAOYSA-N 369.453 2.080 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)n2cc(C(=O)OC)c3ccccc32)c1 222650748 AXWCJTLKBVGWCG-UHFFFAOYSA-N 372.402 2.025 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1 225403994 NCYOFHGLHDHKNM-LBPRGKRZSA-N 366.468 2.243 0 40 FEAB CC(C)(C)n1cc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)nn1 191421125 FTTHTUKGENKOJV-QGZVFWFLSA-N 357.458 2.242 0 40 FEAB COc1cccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)c1 223644027 GITOWQTVGPMBEJ-UHFFFAOYSA-N 352.456 2.078 0 40 FEAB Cc1cccc(CN2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 96223425 JBUUJDJXCWRWSU-ICSRJNTNSA-N 353.470 2.440 0 40 FEAB O=C(Cc1ccccn1)N1CCOC[C@H]1c1csc(N2CCCC2)n1 96217875 VJXMXAYYJWDWIX-INIZCTEOSA-N 358.467 2.281 0 40 FEAB c1cc(COC[C@H]2CN(CC3CCOCC3)Cc3cncn3C2)ccn1 96208019 CJJYRXNAYHYUDV-IBGZPJMESA-N 356.470 2.353 0 40 FEAB Cc1cc(C)cc(CN2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)c1 96157800 FRMWRNCVBCOBEX-UHFFFAOYSA-N 357.498 2.206 0 40 FEAB O=C(COc1ccccc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247732845 IMKYJPSURIBHFL-KRWDZBQOSA-N 354.406 2.299 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)ncn1 257278839 ODWCGINWGBPPMP-HNNXBMFYSA-N 366.425 2.036 0 40 FEAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4cc(C)nc(C)n4)C3)cn2c1 257252439 JUTYLZMEFAOKAY-KRWDZBQOSA-N 351.410 2.263 0 40 FEAB Nc1cc(CC[C@H]2CN(C(=O)CCOc3ccccc3)CCO2)ccn1 257262080 LJYRTVFMMOHCMF-SFHVURJKSA-N 355.438 2.293 0 40 FEAB Nc1nc(Cl)cc(NCc2ccc(S(=O)(=O)N3CCCC3)s2)n1 26725009 BJGQLVWFEUNZIK-UHFFFAOYSA-N 373.891 2.170 0 40 FEAB Nc1nccnc1[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 257267291 MGQAVRFXXMSHEI-INIZCTEOSA-N 351.410 2.073 0 40 FEAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(-c2nnnn2C)c1 608021763 LPBBJYAXNUMMPQ-KRWDZBQOSA-N 369.450 2.151 0 40 FEAB COc1cccc2c1CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)CC2 627658244 UBMLWNOICOMANM-UZLBHIALSA-N 365.433 2.195 0 40 FEAB Cn1cc(C(=O)N2CC[C@H](Oc3ccccn3)C2)c(C2CCOCC2)n1 644393745 DRRJQTCARRFRFS-HNNXBMFYSA-N 356.426 2.003 0 40 FEAB CC1(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ccc(F)cn2)CCOCC1 1775996690 DXHKUKGXKMSKII-HIFRSBDPSA-N 363.433 2.052 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cccc(OCCO)c2)C1 585276174 MPYALWKXGXBNMX-OAQYLSRUSA-N 357.450 2.382 0 40 FEAB COc1ccc(CN[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)cc1 585262393 METXEEGPNWPYSH-UAFMIMERSA-N 361.413 2.256 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(c2cccc(F)c2)=NO1 33163793 QFIPHOHCBPJHPC-KRWDZBQOSA-N 370.384 2.189 0 40 FEAB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1C1CC1 656712442 BCSLVXXERARPBA-QWHCGFSZSA-N 361.822 2.352 0 40 FEAB Cn1cnc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615126967 BOTVNMKCGXIECH-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 14095120 ASHBBJSHYFVIFN-GFCCVEGCSA-N 373.434 2.315 0 40 FEAB CNC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(C(=O)OC)C2 5255419 WZQPCURIZYDNCU-UHFFFAOYSA-N 353.444 2.217 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cs2)cc1 10554183 VURRLFPBESURKL-UHFFFAOYSA-N 369.468 2.157 0 40 FEAB CN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 5629006 MCQDDTDHXJGCCB-UHFFFAOYSA-N 361.357 2.438 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3nc4cnccc4s3)CC2)n1 1888900856 WDIUGZWBGUGETA-UHFFFAOYSA-N 364.381 2.451 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(I)cc1 31551415 SQZCFOJYGMNXHH-BXKDBHETSA-N 372.206 2.392 0 40 FEAB Cc1ncnc(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1C 1147064592 GHHTZNFYHYBUFU-KRWDZBQOSA-N 364.449 2.229 0 40 FEAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 4941281 SDPYCRRLGWUGME-HNNXBMFYSA-N 366.845 2.148 0 40 FEAB Cn1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 5265717 SIVHBKMICSJPAY-UHFFFAOYSA-N 372.450 2.190 0 40 FEAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccc(F)cc1 8987130 IOCRWJGBMZWLRO-LBPRGKRZSA-N 356.353 2.337 0 40 FEAB Cc1nn(CC(=O)N2CCCCC2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228195 XJZHLZBMFOWAGG-UHFFFAOYSA-N 369.400 2.042 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3nc4ncccc4cc3C2)cc1 1890742097 ZBPIYASAADOGQO-UHFFFAOYSA-N 355.419 2.385 0 40 FEAB COc1c(F)c(F)cc(C(=O)NC2CCN(c3cnsn3)CC2)c1F 575617090 YAIYDMKXGDHVTB-UHFFFAOYSA-N 372.372 2.363 0 40 FEAB Cc1nc2c(c(N3CC(Cn4nc(-c5cccnc5)ccc4=O)C3)n1)CCC2 585605595 FDHVCRYLISZOGW-UHFFFAOYSA-N 374.448 2.029 0 40 FEAB CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 31323843 HHVAVVCCJHQUOK-CQSZACIVSA-N 357.385 2.289 0 40 FEAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 100549879 ZOFLTUFFHFAUGT-LWWSYDQCSA-N 373.430 2.246 0 40 FEAB CCn1c(SCC(=O)NCc2cccs2)nc2ncccc2c1=O 31614351 KOOLPCMUYKZNLP-UHFFFAOYSA-N 360.464 2.281 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1COc2ccccc2C1 32493430 YSTCPVSGVAGPRW-OAHLLOKOSA-N 363.417 2.154 0 40 FEAB O=C(NCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1cccs1 41224363 HPLPYRJNCAETOL-CQSZACIVSA-N 368.455 2.357 0 40 FEAB Cc1ccc([C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)c2ccccc2)cc1C 32904979 XWYLOJUXKXKBLA-IEBWSBKVSA-N 365.433 2.497 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cccc(Br)c1 33042001 VDANGQMSWDSQTN-CMPLNLGQSA-N 354.248 2.417 0 40 FEAB O=C1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2N1 22064431 YOYBXFOUBQXCJO-GFCCVEGCSA-N 353.353 2.164 0 40 FEAB O=C(c1nc(-c2ccncc2)no1)N1CCN(c2ccc(F)cc2)CC1 12324214 LFJOLDABHQLEHO-UHFFFAOYSA-N 353.357 2.233 0 40 FEAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(=O)n(C)c1 84037349 ZXRKZKDYTCWKHQ-VIFPVBQESA-N 368.220 2.449 0 40 FEAB COC(=O)c1sc2ncn(CC(=O)NC3CCCCC3)c(=O)c2c1C 814787 NPRFZUJAXWAGGA-UHFFFAOYSA-N 363.439 2.002 0 40 FEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 23013271 VMUYFUOCIIRFOD-UHFFFAOYSA-N 362.817 2.191 0 40 FEAB NC(=O)CNC(=O)c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 47799187 NGMRCQKZNGUUKR-UHFFFAOYSA-N 365.355 2.210 0 40 FEAB CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H]3CO)cs2)cc1 104961475 BWWMVDUVMIABNS-AWEZNQCLSA-N 352.481 2.170 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 6761465 YRQJJAMQTSAGEX-UHFFFAOYSA-N 351.362 2.270 0 40 FEAB O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 8081958 GGEMBRMFTAXBJR-UHFFFAOYSA-N 372.874 2.033 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1OC 8476103 PFHMNHJVJHUFHD-UHFFFAOYSA-N 354.472 2.446 0 40 FEAB O=C(Nc1c[nH]ccc1=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 47929306 JIOORRXYTVHBEM-UHFFFAOYSA-N 361.348 2.144 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3[C@H]4CCCC[C@H]34)ncc2C1 100747097 GMYYOBGPTURMBG-BQFCYCMXSA-N 368.481 2.481 0 40 FEAB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 44450462 BCDSQIMJQJLENJ-CYBMUJFWSA-N 361.405 2.193 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 3231848 WAPZZFBFZCRDAB-FPMFFAJLSA-N 366.483 2.270 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 3241481 VBZDTLWMOXHOKS-UHFFFAOYSA-N 372.368 2.325 0 40 FEAB COCCn1c(-c2ccncc2)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S 12618808 ZMHUPUXFGRAUOP-OKILXGFUSA-N 363.487 2.189 0 40 FEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)C[C@@H](C)O1 58325833 FRHCWOVRQSGBTG-MDZRGWNJSA-N 358.482 2.264 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 48253395 VXYNJUBRTRRHIA-INIZCTEOSA-N 368.474 2.178 0 40 FEAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccc(S(C)(=O)=O)cc1 10968350 QDPKPTYRFDWLSJ-CYBMUJFWSA-N 370.434 2.162 0 40 FEAB O=C1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1ccccc1 2634963 DYWCIVMIPVAGPC-IBGZPJMESA-N 363.461 2.384 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(CN(C)C)cc3)cnc12 29952251 DSWBTBKWUASNJS-UHFFFAOYSA-N 350.422 2.405 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1OC 3497887 CPRWTGCBUSCUQO-QGZVFWFLSA-N 373.361 2.026 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccco2)c1 3442099 YWMOHWOVQQAOJA-UHFFFAOYSA-N 371.798 2.223 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1=O 93063224 RUDLEJHLXVMPLO-OAHLLOKOSA-N 361.417 2.430 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 3620983 PNPQXKJPQCLSCB-UHFFFAOYSA-N 360.435 2.268 0 40 FEAB COc1ccc([C@@]2(C)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1OC 13137641 IFPVIAWCIKYSAA-GOSISDBHSA-N 359.382 2.276 0 40 FEAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)S2 9238503 PSAHCCLMHRBHCL-HUUCEWRRSA-N 373.413 2.394 0 40 FEAB Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(=O)n2Cc2ccccc2)on1 14567264 UIPVIXDCSPKFQH-NSHDSACASA-N 359.411 2.035 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)c1 7248136 SPXFDLRKMVZZCF-HNNXBMFYSA-N 361.419 2.350 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCCN2CCCC[C@H]12 96343847 ZLTJJMXOFVRLPO-IAGOWNOFSA-N 369.469 2.445 0 40 FEAB biogenic CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 8231091 SKXODULTXZVXIC-SFHVURJKSA-N 358.463 2.411 0 40 FEAB O=C(CCSc1nnnn1C1CC1)Nc1ccc(N2CCCC2=O)cc1 8325835 QYCRDDXZPNHPSN-UHFFFAOYSA-N 372.454 2.256 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318291 FVYKQEUUOFYYDP-AWEZNQCLSA-N 361.442 2.219 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8634503 PRJCSAYEMUKGSJ-IBGZPJMESA-N 352.346 2.065 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 8710666 QSKKPJSFPUYTEQ-UHFFFAOYSA-N 359.451 2.447 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 8754859 DLRBYOIIDWSFGY-JTQLQIEISA-N 362.332 2.301 0 40 FEAB CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 95940932 YXUKFUDRIICZFB-UHFFFAOYSA-N 363.458 2.005 0 40 FEAB CC(C)n1cc2c(n1)C1(CCN(Cc3ccncc3)CC1)CN(C)C2=O 306128814 HLIBIQWLGGLPOD-UHFFFAOYSA-N 353.470 2.478 0 40 FEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 536909837 NQRNACQCVJIPHF-CYBMUJFWSA-N 363.439 2.164 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCN2C=O)CC1 72216449 IMWHOHDKNARRFM-INIZCTEOSA-N 360.458 2.432 0 40 FEAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217635616 JSPWQBFTYDAXFI-CHWSQXEVSA-N 370.471 2.443 0 40 FEAB COc1c(F)c(F)cc(C(=O)N2CC[C@H](Oc3cnsn3)C2)c1F 670073838 SWFOTZQMQYELQZ-ZETCQYMHSA-N 359.329 2.258 0 40 FEAB CC1CCC(Oc2cc(CNS(=O)(=O)c3cnn(C)c3)ccn2)CC1 72991717 GMEDCWXUUYOJFU-UHFFFAOYSA-N 364.471 2.251 0 40 FEAB Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)ccc1-n1cccn1 565475121 OKGPEZYMXLYQSW-GOSISDBHSA-N 373.478 2.220 0 40 FEAB Cc1cc(-c2cnc(N3CCn4cnnc4C3)nc2-c2ccncc2)on1 72342342 KARYQFYXGGYRLG-UHFFFAOYSA-N 360.381 2.114 0 40 FEAB O=C1CCN(CC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)C(=O)N1 562884615 ZPOBJPIISDUPCG-HXUWFJFHSA-N 363.417 2.103 0 40 FEAB CON(C)C(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Br 227158919 YPDWMJIGPJRFQP-SNVBAGLBSA-N 354.204 2.422 0 40 FEAB Cc1cc(NC(=O)CN2CCC(c3nnc(-c4ccco4)o3)CC2)no1 49372040 OOZNDCLAQQUMNJ-UHFFFAOYSA-N 357.370 2.444 0 40 FEAB COc1ccccc1N1CCN(c2ccc(C(=O)NC3CC3)cc2N)CC1 225442549 ZQVQNWFRAFILRD-UHFFFAOYSA-N 366.465 2.496 0 40 FEAB CCSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 225185866 AWKJRSGDJOOGKO-UHFFFAOYSA-N 372.497 2.298 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 47812139 XHFQZFVFRUXTKT-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)c1cccs1 77114184 XUHWDXVJAKBTOC-AWEZNQCLSA-N 353.465 2.152 0 40 FEAB Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398555 KUGRNRAOHNBRDR-UHFFFAOYSA-N 366.400 2.115 0 40 FEAB Cc1[nH]c2ccc(C(=O)N3CCN([C@@H]4CCNC(=O)CC4)CC3)cc2c1C 333472030 GAAPZAJOZHLMEZ-KRWDZBQOSA-N 368.481 2.211 0 40 FEAB CSCC[C@H](NC(=O)c1ccc2nnnn2c1)c1nc2ccccc2[nH]1 96223741 TUSYICAGQPIMHO-AWEZNQCLSA-N 367.438 2.225 0 40 FEAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(CC(=O)N(C)C)C1 96244678 SRHOSAKTORZUHT-OAQYLSRUSA-N 366.465 2.014 0 40 FEAB c1csc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)c1 96229443 KRAVOCAZNCUHIB-IBGZPJMESA-N 359.495 2.247 0 40 FEAB CS(=O)(=O)NC1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 96228625 DLBHHMLPZVYWMB-UHFFFAOYSA-N 354.447 2.179 0 40 FEAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccoc2)C(=O)CO3)s1 96240182 BOECRJFMWIEGMA-SFHVURJKSA-N 362.451 2.284 0 40 FEAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccsc2)C1 96057718 QCJTZFSYBJYXND-NUEKZKHPSA-N 360.435 2.277 0 40 FEAB Cn1nccc1C(=O)N1Cc2cccn2[C@@H](COCc2ccccn2)C1 248005864 BYNOVFQNGKTAGR-QGZVFWFLSA-N 351.410 2.031 0 40 FEAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379901 OHEYYUJZPXPOOX-QHLBIMPKSA-N 355.442 2.371 0 40 FEAB CN(C)Cc1cccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257242969 IEYVESLIAYXUOH-GOSISDBHSA-N 350.426 2.392 0 40 FEAB C[C@@H]1C(=O)N2[C@H](C[C@@H]3CCC[C@H]32)C(=O)N1[C@@H](CCc1ccccc1)C(=O)O 252514828 DZRWPCCIYKIPJW-QRIFCXAISA-N 370.449 2.073 0 40 FEAB C[C@@H]1C[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)[C@@H](C)O1 665145732 QSGQDINLUUDSQU-PBZZTAOPSA-N 362.474 2.236 0 40 FEAB CCNc1nc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cs1 666234415 SBPJZNDOSNTIQX-UHFFFAOYSA-N 373.482 2.215 0 40 FEAB Brc1cnc(OC[C@H]2CCCN(c3ncccn3)C2)nc1 1775995911 NAFNDTDYNRPALS-NSHDSACASA-N 350.220 2.325 0 40 FEAB CCn1cc(O[C@@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@H]2O)cn1 625619854 OKVHSTXUJDHMGD-IEBWSBKVSA-N 354.410 2.182 0 40 FEAB O=S(=O)(CC[C@@H]1CCCCO1)N1CC[C@]2(C1)OCc1ccccc12 641431556 UOTJYFVZPVNYSE-FUHWJXTLSA-N 351.468 2.407 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)c3cn(CC4CC4)nn3)[nH]nc21 648939754 SJSKKKWPKUTVJS-UHFFFAOYSA-N 362.397 2.217 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 585112380 OMGRJWNEZJFGEL-OAHLLOKOSA-N 374.514 2.400 0 40 FEAB Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O 585098334 WLSGMJOHFPTPLI-MRXNPFEDSA-N 352.438 2.229 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 36096163 GBDVRQHFNIIEOV-UHFFFAOYSA-N 361.423 2.391 0 40 FEAB CC(C)n1ncc2c(C(=O)NC3=NCC(O)=N3)cc(-c3ccco3)nc21 50223281 DUHNKOWJNZQWEO-UHFFFAOYSA-N 352.354 2.328 0 40 FEAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)cc2)c1C 1262788759 NFKQRJDVWBNZII-GOSISDBHSA-N 364.409 2.354 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 1775957498 XTGSHCIEPSESHU-UXLLHSPISA-N 357.410 2.287 0 40 FEAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1cnn(C)c1 11560445 OULQFFMXKPNPRW-OAHLLOKOSA-N 360.414 2.442 0 40 FEAB CN1C(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cccnc2N1C 12145120 VCYYEVXYXOCDBL-UHFFFAOYSA-N 369.469 2.390 0 40 FEAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(C[C@@H]3CCCO3)cc2n(C)c1=O 12409811 VFAPCFDYFCSTGY-AWEZNQCLSA-N 357.385 2.024 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1 19210809 KXFHEWLTVUKEKJ-INIZCTEOSA-N 357.454 2.321 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1F 19214521 XXAURCJPSSOIIH-CQSZACIVSA-N 361.402 2.098 0 40 FEAB CCn1c(C)nc2cc(NC(=O)c3cnc(N4CCOCC4)nc3)ccc21 19657088 XYORNNALRXUABS-UHFFFAOYSA-N 366.425 2.244 0 40 FEAB COC(=O)CN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 8168750 ULWGXGRXXCIBTC-XFFZJAGNSA-N 353.421 2.078 0 40 FEAB Cc1noc(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 240068163 SLJKPFSOERIOQH-UHFFFAOYSA-N 369.347 2.499 0 40 FEAB CN(C[C@@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2)C1)S(C)(=O)=O 567522324 MGGPPQGZZAYWAS-WFASDCNBSA-N 374.890 2.069 0 40 FEAB Cn1cc(C(=O)NCC2CC(c3ccccc3)C2)c(=O)c2cnn(C)c21 575001593 IIDGSCJCWBEKOA-UHFFFAOYSA-N 350.422 2.196 0 40 FEAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@H]1CCCO1 6475117 JBHICYIJCJGRIW-LJQANCHMSA-N 368.433 2.291 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)[C@H]2CCOC2)CC1 1888856505 FJWGIGLNHSQCSQ-HNNXBMFYSA-N 373.428 2.119 0 40 FEAB CCc1cc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)ncn1 1888859571 UKJRSCWRZWAUFC-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB CC(C)c1nc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)nc(O)c1F 1888860426 DHDCGFJABMUVDO-UHFFFAOYSA-N 374.420 2.008 0 40 FEAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888909731 ZZTRGLIHCVZIJP-ZIAGYGMSSA-N 353.451 2.088 0 40 FEAB O=C(CCCc1cn[nH]c1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037908856 BBAHOJNZWMAKMI-IBGZPJMESA-N 361.417 2.304 0 40 FEAB CN1C(=O)COC[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]21 2037984056 ONOKFIUSRNAVOP-ZFWWWQNUSA-N 358.360 2.264 0 40 FEAB Cc1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)on1 2037984647 IFNAURKZOZYFPK-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB O=C(Cc1cccc2ccccc12)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100038690 DRWVSWJWKXPVCN-KBAFEORJSA-N 372.424 2.467 0 40 FEAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2CC(F)(F)C2)cn1 1614929674 QHUGJMSWJJLKOY-JKSUJKDBSA-N 353.413 2.404 0 40 FEAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ncnc(C)c4C)CC3)O2)n1 1614946347 CYPBEMFLVVYZQT-CQSZACIVSA-N 357.414 2.311 0 40 FEAB COCCN1CCCC2(CCN(C(=O)c3ccc(OC)cc3C)CC2)C1=O 1565553512 BLAUNTGKPVJATP-UHFFFAOYSA-N 374.481 2.495 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c(OC)c1 9572740 MKODGNNPTJFIMR-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB C[C@@H]1CN(Cc2cn[nH]c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 2055731745 RCRYAZBTEZTASY-DKSSEZFCSA-N 355.442 2.203 0 40 FEAB Cc1ccccc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782079 ICJIAGALBYGOIH-UHFFFAOYSA-N 366.465 2.349 0 40 FEAB CCCC(=O)/N=c1\sc2cc(C(=O)OCC)ccc2n1CC(=O)OC 100876196 HOUNAARRXHLEKV-ZCXUNETKSA-N 364.423 2.280 0 40 FEAB CCOc1ccccc1NC(=O)CN1CCn2c(nnc2C(F)(F)F)C1 150964006 ZVSJKMRBGQOCKV-UHFFFAOYSA-N 369.347 2.150 0 40 FEAB Cc1nc2ccccc2nc1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 40159004 UPLJGHABNXCHGH-CRAIPNDOSA-N 357.435 2.435 0 40 FEAB COc1cccc(-c2n[nH]cc2CNCc2cccnc2-n2cncn2)c1 40153247 XQBIOCNOLNKJSR-UHFFFAOYSA-N 361.409 2.351 0 40 FEAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 40142055 JFKZJMCBZYENID-AWEZNQCLSA-N 370.478 2.278 0 40 FEAB NC(=O)CSc1ccccc1C(=O)OCCn1c(=O)oc2ccccc21 30745521 HLZGHAPCGOVBFM-UHFFFAOYSA-N 372.402 2.029 0 40 FEAB O=C(O)CCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100580301 TZIBNPSGYMRVPR-BMEPFDOTSA-N 370.405 2.416 0 40 FEAB O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccc(Cl)c4Cl)C(=O)[C@H]13)O2 100745413 RRDTTXDOBVEPKD-YMEQNVIZSA-N 354.189 2.360 0 40 FEAB COc1cccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1OC 21055930 ZMKIZSPQMKEIBS-KBPBESRZSA-N 350.459 2.321 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N(C)Cc1ccsc1 32747232 CTTUGMMRAQTHLB-CYBMUJFWSA-N 360.435 2.068 0 40 FEAB CCCN1C(=O)N[C@H](c2ccc(-n3cncn3)c(F)c2)C(C(=O)OC)=C1C 32903118 SSDXOGOVSJHWNJ-MRXNPFEDSA-N 373.388 2.330 0 40 FEAB CCCn1nc(C(=O)N2CCCN(Cc3ccccc3C)CC2)ccc1=O 32914584 MKSAFIKTQLOVKG-UHFFFAOYSA-N 368.481 2.310 0 40 FEAB COc1ccccc1CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 41647704 HBJXQLRHMYFRPY-UHFFFAOYSA-N 374.462 2.491 0 40 FEAB COc1ccc(Br)cc1CN(C)C(=O)C1=NN(C)C(=O)CC1 23497596 NXSAHGCIHKCTMD-UHFFFAOYSA-N 368.231 2.024 0 40 FEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 7503660 GUHNMCKNAALAKC-CYBMUJFWSA-N 352.394 2.035 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12536030 LDGXYAMUYVAYTP-UHFFFAOYSA-N 374.418 2.166 0 40 FEAB COc1cccc(CNC(=O)CN2C(=O)COc3cc(C)ccc32)c1OC 51316359 LUWPPMYWIOWFMJ-UHFFFAOYSA-N 370.405 2.054 0 40 FEAB CN1CCCN(C(=S)NC(=O)c2ccccc2Br)CC1 3257340 LWMDTTHXBWVBLO-UHFFFAOYSA-N 356.289 2.101 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)no1 9428757 SBFJGOGODOTOPM-SNVBAGLBSA-N 362.773 2.432 0 40 FEAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)Cc1ccccc1F 58044685 IAUJYHKUKIWFOX-IBGZPJMESA-N 370.424 2.384 0 40 FEAB c1cnc(-c2nc(CN[C@H]3CCCN(c4ncccn4)C3)cs2)nc1 58208455 OSKQCDWXRKXFBQ-ZDUSSCGKSA-N 353.455 2.149 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cn2cncn2)cc1 10356109 YGJCXJHAHCVTQY-UHFFFAOYSA-N 360.421 2.415 0 40 FEAB CC1CCN(C(=O)[C@@H](NCc2nnnn2C2CC2)c2ccccc2)CC1 58308698 JVEHQHJOIFMNLC-SFHVURJKSA-N 354.458 2.097 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)Nc1ccn(Cc2ccccc2)n1 48262765 JDFXCRDELYBUOH-UHFFFAOYSA-N 374.408 2.229 0 40 FEAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OC)cc2)cc1 12757515 UKXQMRNXCMJSDK-UHFFFAOYSA-N 374.462 2.408 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)CC)nnc12 3375401 AGNCKJVHWZHYLP-UHFFFAOYSA-N 373.482 2.415 0 40 FEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)[C@@H](C)CCC3 2442854 PTFOHFSEFXGMHH-VIFPVBQESA-N 359.455 2.199 0 40 FEAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)c1 72304691 DPJQWOFQYSAZGW-UHFFFAOYSA-N 355.438 2.469 0 40 FEAB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)c2c(F)cccc2F)c1 72403817 QFFWTHVKCQBHGT-UHFFFAOYSA-N 360.320 2.232 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc1 39998393 VJNSOABPFFNJIN-LBPRGKRZSA-N 366.464 2.044 0 40 FEAB COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1 6381241 WWXXWPRILUCXAK-ZDUSSCGKSA-N 371.372 2.321 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1n[nH]c(=O)c2ccccc12 14139570 FNSPGXQKUGFCKQ-MRXNPFEDSA-N 366.421 2.473 0 40 FEAB Cn1c(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc21 14528617 PFCMJAVJIVYBJK-ZDUSSCGKSA-N 352.369 2.455 0 40 FEAB Cc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)s1 306123942 BBBJPEKLBZDCOR-UONOGXRCSA-N 359.499 2.091 0 40 FEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 4956236 ZCZRIIVNFGJUBA-MANSERQUSA-N 374.396 2.177 0 40 FEAB C[C@@H]1CN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 20680439 HQJPAAJTTQBNHD-NOLZGADQSA-N 363.502 2.279 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCn1c(C)csc1=O 7191761 UBMYUJKYUCPKIC-GFCCVEGCSA-N 364.423 2.187 0 40 FEAB CC(C)NC(=O)NCc1ccc(C(=O)NCc2cn3ccccc3n2)cc1 8053856 BZPAGICWVWKPMY-UHFFFAOYSA-N 365.437 2.472 0 40 FEAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(F)cc1F 8935546 XDKZHLBMOGVEHT-QMMMGPOBSA-N 368.413 2.058 0 40 FEAB CCC[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 8938767 QIUNKYNBHSKMQS-INIZCTEOSA-N 351.406 2.347 0 40 FEAB O=C(O)C[C@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C1CC1 95970302 DCDOXKXYLSTDAG-KRWDZBQOSA-N 358.438 2.476 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NCCS(=O)(=O)NCC2CCC2)C1 88718364 QCOJSBSMRFKYGL-APWZRJJASA-N 365.543 2.131 0 40 FEAB Cc1ccc(C)c(C(=O)CCC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)c1 89611861 XQCQBSWQKMVEJI-GOSISDBHSA-N 372.465 2.162 0 40 FEAB COc1ccc(CCC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 36357016 CWSZZRMLZAONGY-UHFFFAOYSA-N 353.382 2.251 0 40 FEAB COCC(=O)N1CC[C@]2(c3ccccc3)CCN(CC3CC3)C(=O)C[C@@H]12 306134243 NGXBIQLXLUPMRJ-NQIIRXRSSA-N 356.466 2.204 0 40 FEAB Cc1cc(N2CC[C@@H](NC(=O)N(C3CC3)[C@H](C)c3ccco3)C2=O)n(C)n1 122876440 GQZQZFRKODEJJA-UKRRQHHQSA-N 371.441 2.362 0 40 FEAB CC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)[nH]c(C)nc3n2)C1 72350869 HQRKSCXZQBJDEC-SNVBAGLBSA-N 354.332 2.371 0 40 FEAB O=S(=O)(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(F)cc1 72406075 HAXKZAYGIJZRGO-UHFFFAOYSA-N 353.766 2.256 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cccc(-n3nc(C)cc3C)c2)CC1 72402889 PXNFGDJWAMNFER-UHFFFAOYSA-N 356.426 2.403 0 40 FEAB O=C(NCc1cccs1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655979 WRXINCCFDOJFGG-AWEZNQCLSA-N 368.466 2.257 0 40 FEAB Cc1noc(C)c1CC(=O)NCCc1c(C)nn(-c2ccccn2)c1C 225582759 VMIRLJBUIFWYLE-UHFFFAOYSA-N 353.426 2.390 0 40 FEAB CC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 40133695 DOYLSQTVBVLRBH-HNNXBMFYSA-N 360.458 2.157 0 40 FEAB CC(C)CNC(=O)c1nc(CC(=O)Nc2cccc3ncccc23)no1 40286284 NFKUZMNPYJLBAT-UHFFFAOYSA-N 353.382 2.185 0 40 FEAB Cn1ccc(NC(=O)COc2nn(C)c3ccc(Br)cc23)n1 226754588 CKUMRSVTRKMZFU-UHFFFAOYSA-N 364.203 2.087 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)n1 96048939 NDPYOBGSBAHPDP-UHFFFAOYSA-N 366.465 2.292 0 40 FEAB O=C(CC1CCCC1)NC1CCN(c2nccc3c(O)ncnc23)CC1 577650364 OVQNRYMZJDYNCO-UHFFFAOYSA-N 355.442 2.396 0 40 FEAB CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)O 1591453889 XSKXNLKOWLIYLH-CJNGLKHVSA-N 373.453 2.014 0 40 FEAB CCN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@@H]1CCOC1)CC2 96199679 AKMWYFSRIPJZSW-QZTJIDSGSA-N 356.466 2.420 0 40 FEAB Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2nn(C)c3ccccc23)C1 98211959 OFBVOHYOFZUKEA-CQSZACIVSA-N 353.426 2.182 0 40 FEAB Cc1cccc(CN2CCOC[C@@]3(C2)CN(c2ccsc2)C(=O)CO3)n1 96240195 SEETXTXXNFSDPA-LJQANCHMSA-N 373.478 2.086 0 40 FEAB CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21 96045134 GBGYFIFXEXEXCI-INIZCTEOSA-N 354.454 2.393 0 40 FEAB CCN1CCC(C(=O)N2Cc3cccn3C[C@H](Oc3cccnc3)C2)CC1 249692693 MWBNEODZOQGEDY-FQEVSTJZSA-N 368.481 2.405 0 40 FEAB O=S1(=O)CC[C@@H](COc2ncccc2F)C12CN(CC1CCCC1)C2 247291390 BCFVRUMMAIJDRQ-HNNXBMFYSA-N 368.474 2.279 0 40 FEAB CN1CCN(c2ccc(C(=O)NC[C@H]3COc4ccccc43)cc2F)CC1 585084148 VNFPDRFPZCPVOQ-INIZCTEOSA-N 369.440 2.484 0 40 FEAB CCN(C[C@@H]1CCCN1CC)C(=O)c1cn(CC)nc1-c1cnn(C)c1 585083137 WEBJNRLNKRTYJT-INIZCTEOSA-N 358.490 2.250 0 40 FEAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 257290426 QCXHJKPYKDDMHL-IBGZPJMESA-N 352.438 2.409 0 40 FEAB Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257337380 YSOHWJPKGNJLLD-OALUTQOASA-N 367.453 2.156 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(Cl)c1 257210487 BUVYFSLWMDGAFI-WBVHZDCISA-N 350.846 2.498 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1C 257250967 JOUGPFYKVUVKNT-QUCCMNQESA-N 357.498 2.459 0 40 FEAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)ccn1 257344414 ZXCJNWQTEJLCRF-OAHLLOKOSA-N 350.426 2.210 0 40 FEAB O=C(COc1ccccc1)NCc1cccc(C(=O)N=c2cc[nH]cc2)c1 604265154 UKEQHSDWRQADBI-UHFFFAOYSA-N 361.401 2.451 0 40 FEAB Cc1cc(=O)oc2ccn(CCn3c([C@H](C)O)nc4ccccc43)c(=O)c12 1772491417 YSOKLPTUAZKQLB-ZDUSSCGKSA-N 365.389 2.366 0 40 FEAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 100354737 UPKLGNZIGILXLA-QAPCUYQASA-N 364.357 2.131 0 40 FEAB biogenic CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1F 390829001 VTNZHEHWIIZJPS-CYBMUJFWSA-N 373.384 2.129 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1C)C2 585103428 WFXYQGCIIOYBDL-MRXNPFEDSA-N 352.500 2.116 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)n1nnnc1C(C)(C)C 680940219 PZVSSXTZRNLQKF-HLLBOEOZSA-N 370.501 2.168 0 40 FEAB CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc2ccccc2c1 60657037 KUGYPPPEJHZXQK-UHFFFAOYSA-N 367.430 2.300 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CCS(=O)(=O)C3)s2)o1 40090279 QPPWKLPOGCFWIF-LLVKDONJSA-N 354.453 2.184 0 40 FEAB CS(=O)(=O)c1snnc1C1CCN(C(=O)CC2CCCC2)CC1 12121410 GUUWBPIMWIUURR-UHFFFAOYSA-N 357.501 2.228 0 40 FEAB CSc1nc2nc(C)c(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)n2n1 14201803 SGQCAIJYNMCKCP-QWRGUYRKSA-N 363.487 2.031 0 40 FEAB CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14685916 DALSKOBLRSANAJ-ZDUSSCGKSA-N 356.463 2.387 0 40 FEAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CCCCO1)C2 19017309 MDRGVBQKAGQHMV-ROUUACIJSA-N 372.469 2.004 0 40 FEAB COc1ccc([C@@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 19446997 ZZXKUPZNILVVBB-SFHVURJKSA-N 358.490 2.065 0 40 FEAB Cc1c(-c2cc(C(=O)N3CCC(Oc4cccnc4)CC3)no2)cnn1C 19554040 NYTBJTHXQNUMJC-UHFFFAOYSA-N 367.409 2.462 0 40 FEAB CCn1cccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 8091012 ALQMMLDUIHBCOL-XNTDXEJSSA-N 356.357 2.179 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1 209746034 PJWKWBUUBHIHFM-CQSZACIVSA-N 366.483 2.369 0 40 FEAB O=C(c1cccc(Cl)c1)N1CCN(Cc2cnc3ccnn3c2)CC1 624186798 GFQVDQOBPLVXIZ-UHFFFAOYSA-N 355.829 2.341 0 40 FEAB COC[C@@H](NC(=O)Nc1c(C(=O)OC)cnn1C)c1ccc(Cl)cc1 590606747 ATEPQVSNHTUBPS-CYBMUJFWSA-N 366.805 2.369 0 40 FEAB COc1ncccc1C(=O)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888876206 GVMPXEQYIZGKEO-DJJJIMSYSA-N 372.400 2.341 0 40 FEAB CC(=O)OC(C)(C)C(=O)N1CC[C@@H](Oc2ncccc2Br)C1 238894460 QXMJNFJQRMPAAY-LLVKDONJSA-N 371.231 2.166 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 2037937572 BTHOPUHBTZONHX-OAQYLSRUSA-N 371.481 2.320 0 40 FEAB CC[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@@H]2CC)cc(C(=O)N2C[C@H]2CC)c1 95850907 WTGFSHHTVSYGMF-HJSKRGOHSA-N 369.465 2.390 0 40 FEAB COC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccc(C)cc1 4911390 LFVJFNFQVQZVOJ-OAHLLOKOSA-N 372.450 2.302 0 40 FEAB O=C(Nc1ccc(F)cc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 12342435 GSJDXUZIWHITSF-UHFFFAOYSA-N 353.353 2.238 0 40 FEAB CC(C)CCNC(=O)Cn1c(=O)n2nc(C(C)C)nc2c2ccccc21 40139310 UDXVXCKVTCYWQM-UHFFFAOYSA-N 355.442 2.330 0 40 FEAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 32770520 AEABDPRFQVURSU-UHFFFAOYSA-N 371.411 2.034 0 40 FEAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(Cn2cncn2)cc1 32889870 RXELRLLQGSYHOG-GOSISDBHSA-N 362.389 2.244 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)c1csc2c1CCCC2 102609494 ZAXVJMCAJYSASA-DPDCMNJDSA-N 356.447 2.469 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)[C@@H]1C[C@H]3CC[C@H]1C3)C2=O 103434376 RUTXBEPHCXLYSC-BKCPRERJSA-N 361.486 2.428 0 40 FEAB COc1ccc(C(=O)C2=NON3O[C@]23C(=O)c2ccc(OC)cc2)cc1 1592116 FVQGMXXUZFHDKN-LROBGIAVSA-N 354.318 2.014 0 40 FEAB Cc1noc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)n1 23374067 JBHLLWCDSHLZKE-KRWDZBQOSA-N 365.389 2.463 0 40 FEAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccco1 3556148 YVEOKAIVSBGMPS-UHFFFAOYSA-N 365.385 2.375 0 40 FEAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 4307778 OZTHCOJOTJCBSS-MRXNPFEDSA-N 352.822 2.420 0 40 FEAB COc1cccc([C@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1 6424651 YTYRHJIDNMHEKD-QGZVFWFLSA-N 356.330 2.279 0 40 FEAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1cccc(C(F)(F)F)c1 7051820 UDGZCXAABPRKLC-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB CCOc1ccc(CCC(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 55288564 SOSITBFNMKNEIT-HZPDHXFCSA-N 362.470 2.160 0 40 FEAB CN(CC(=O)N(C)Cc1ccsc1)Cc1nc2ccccc2c(=O)[nH]1 24809022 KSSGDEBBMWFMLO-UHFFFAOYSA-N 356.451 2.075 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1cc(S(C)(=O)=O)ccc1C 25094554 DTUIOJOPGRKKSN-UHFFFAOYSA-N 351.424 2.280 0 40 FEAB O=C(NCc1ccc(O)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 43484975 KOTPUTCUQKASRI-GOSISDBHSA-N 374.462 2.252 0 40 FEAB O=C(CN1CCS(=O)(=O)CC1)Nc1cc(C(F)(F)F)ccc1Cl 59850788 ULCOOKHYGDVALS-UHFFFAOYSA-N 370.780 2.028 0 40 FEAB NC(=O)NCc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1 24418996 JTMJZVQJAYCUDZ-UHFFFAOYSA-N 350.378 2.398 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1nnc2ccccc2c1=O 54914509 UJZFWLOPEBZUMX-GFCCVEGCSA-N 366.377 2.153 0 40 FEAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 58230119 URRBJSYAINWECW-INIZCTEOSA-N 365.441 2.421 0 40 FEAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN(C)C)cc1OC 10312695 WIJPVYRAPPIEEG-UHFFFAOYSA-N 371.437 2.248 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)on1 100137750 RQXDRMZDDLCLPP-ZDUSSCGKSA-N 355.398 2.368 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CC)nnc12 3376362 QXFHXUVWWZLLME-GFCCVEGCSA-N 373.482 2.461 0 40 FEAB COc1ccc(-c2nn3c(O)cc([C@@H]4CC(=O)N(C)C4)nc3c2C)cc1 100775734 DGRYHXPJDDDPII-CYBMUJFWSA-N 352.394 2.365 0 40 FEAB O=C(NCCNc1cnccn1)c1cccc(NC(=O)c2ccco2)c1 48300710 VVSDXFVGSMWEJY-UHFFFAOYSA-N 351.366 2.164 0 40 FEAB CCOC(=O)c1sc(NC(=O)CSc2nnc(N)s2)cc1C 10790034 DXWDIFKEQVSDAD-UHFFFAOYSA-N 358.470 2.398 0 40 FEAB CC(=O)c1c(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]c1C 10913773 MZYPTPPVGVHPTM-UHFFFAOYSA-N 365.842 2.343 0 40 FEAB Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1Cc1ccccc1 3411389 MHWWBRGJIPDWJS-UHFFFAOYSA-N 373.482 2.495 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 3484144 NAJYVDBQDLQROJ-UHFFFAOYSA-N 374.372 2.355 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1csnn1 11914889 YHBUTONXCIVEFG-UHFFFAOYSA-N 367.437 2.048 0 40 FEAB O=C1CCc2cc(C(=O)Nc3cnccc3N3CCOCC3)ccc2N1 96011814 UJPPLVCBXLBWID-UHFFFAOYSA-N 352.394 2.055 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cc1 6290052 RWFKCCFMWVZLCG-UHFFFAOYSA-N 356.378 2.370 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 5336066 FLLRZSYHAJRADV-UHFFFAOYSA-N 370.434 2.498 0 40 FEAB COCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2C)c(N2CCCC2)n1 67256912 KAYMYAHYPGYTOD-UHFFFAOYSA-N 370.453 2.245 0 40 FEAB COCCC(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 95998488 ZMAHRMMLZUWUNW-GOSISDBHSA-N 357.454 2.485 0 40 FEAB CC(C)n1nnnc1SCC(=O)N1CCN([C@H](C)c2ccccc2)CC1 22025341 ILFCEXWBZCHMIY-OAHLLOKOSA-N 374.514 2.252 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccccc1F 8942925 FSJNPPJXJKATDS-UHFFFAOYSA-N 359.357 2.161 0 40 FEAB O=C(NCCCN1CCOC1=O)c1cc2ccccc2nc1N1CCCC1 95957381 JARMLHLGXFPROR-UHFFFAOYSA-N 368.437 2.407 0 40 FEAB O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 84528953 OFWYRMASLYGIOW-KRWDZBQOSA-N 366.417 2.379 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3OC[C@H](CCOc4nccc(C)n4)[C@@H]3C2)cn1 306129439 IDJCSDPFDIXNOU-BZSNNMDCSA-N 368.437 2.045 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408552646 MHVGWIOCJZHRIJ-WDEREUQCSA-N 362.879 2.320 0 40 FEAB COc1ccc(OCCC(=O)OCC(=O)NCc2ccccc2OC)cc1 24764162 XIYNFRXBPQUNBO-UHFFFAOYSA-N 373.405 2.332 0 40 FEAB CC(C)C[C@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 20140380 HFRJCHREFRERKH-OAHLLOKOSA-N 360.462 2.392 0 40 FEAB Cc1nnsc1C(=O)N[C@@H]1CCCC[C@@]12CN(CC(C)C)CCO2 306138012 RMPBTZSXHQRNAO-RHSMWYFYSA-N 352.504 2.246 0 40 FEAB Cc1cccc(NC(=O)CN2CCC3(CC2)NC(c2ccccn2)=NO3)c1 67317285 IPOTUPGPOUAZGO-UHFFFAOYSA-N 365.437 2.102 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCCCCc2ccccc2)cc1 408710328 XLMVOHPOEALCSR-UHFFFAOYSA-N 354.450 2.493 0 40 FEAB O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1)c1cc2ccccc2s1 77261783 SGBOHKMOXFTOJZ-DTTOXWODSA-N 354.431 2.304 0 40 FEAB biogenic,in-vitro COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(C)s1 27756987 NPTTVSLKYMFUFL-UHFFFAOYSA-N 364.246 2.418 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC 225045947 YWWRQXSKYTVQOC-UHFFFAOYSA-N 358.394 2.332 0 40 FEAB Cc1nn(CCC(=O)N2CCC(C(=O)NC(C)C)CC2)c2ccccc12 223208294 HEPRXQUZLXQYKK-UHFFFAOYSA-N 356.470 2.498 0 40 FEAB CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C(=O)O)cc3Cl)C2)C1 578976409 CXMOTERTVZVHIY-INIZCTEOSA-N 372.874 2.145 0 40 FEAB COc1ccc(C(=O)N2C[C@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240919 NUIUPUYDXJBDCC-GOSISDBHSA-N 372.465 2.186 0 40 FEAB O=C(NC1CCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)O1 96186962 UCBKYYBFIXOWGZ-NUJGCVRESA-N 358.438 2.206 0 40 FEAB COc1cc(N2CCC[C@@]3(C[C@H](CNc4nccs4)CO3)C2)ncn1 96075732 FDHOONYRFZNJHH-CXAGYDPISA-N 361.471 2.429 0 40 FEAB Cn1nc(-c2ccc(C(N)=O)cc2)nc1[C@H](c1cccnc1)N1CCCC1 95522664 KDEIFAZXJRVBQF-KRWDZBQOSA-N 362.437 2.161 0 40 FEAB Cc1nn(C)c2n[nH]c(NC(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)c12 585139759 YNZWENDESYGVAC-XJKSGUPXSA-N 366.425 2.153 0 40 FEAB Cc1nc(COC[C@@H]2CCOC23CN(C(=O)c2cccnc2)C3)cs1 248061545 VYEBKFUVXRFXHW-HNNXBMFYSA-N 359.451 2.294 0 40 FEAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(CC(N)=O)CC[C@@H]3O[C@H]21 257243556 IHNHBBMJPXIFJH-XXHPDZBISA-N 360.454 2.120 0 40 FEAB CO[C@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 257342029 ZMUDNGSEWYTHHJ-MAUKXSAKSA-N 370.396 2.496 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ncc[nH]2)CCO1 257303125 SFWGXAXHPQLHIZ-ZDUSSCGKSA-N 371.466 2.295 0 40 FEAB CCc1cc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)on1 257303777 SIRHJCKNTIYMLX-MRXNPFEDSA-N 358.442 2.172 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)Nc3cncc(N(C)C)c3)cn2)C[C@@H](C)O1 633863974 DZWKAHPQTTYFGO-ZIAGYGMSSA-N 355.442 2.409 0 40 FEAB COc1ccccc1CCCN1C[C@@H](c2cncn2C)[C@H](CNC(C)=O)C1 1615553088 PRHDZWBWMSFVKS-RTBURBONSA-N 370.497 2.213 0 40 FEAB CO[C@@H](c1noc(COC2CN(C(C)=O)C2)n1)c1ccccc1Cl 643958668 OYAWOYLMXYAZRF-OAHLLOKOSA-N 351.790 2.206 0 40 FEAB Cc1cc(C(F)(F)F)ccc1CNC(=O)CN1CCCC[C@@H](O)C1=O 644445890 LTIXOAMXCRRTPM-CQSZACIVSA-N 358.360 2.003 0 40 FEAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3(c4cccc(F)c4)CC3)C2)n1 1775958175 IPWJDKGKKACNIE-WOSRLPQWSA-N 359.401 2.220 0 40 FEAB COc1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)N2C2CC2)ccc1Cl 1775960285 DAYNVPYSTJLEJJ-UONOGXRCSA-N 352.818 2.045 0 40 FEAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCO[C@@]4(CCCOC4)C3)cnc21 606446281 MIKHZXKVBQZLIP-FQEVSTJZSA-N 372.469 2.287 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N3CCCCO3)C2)c1 585095774 JYNSOTNTXJORHG-GOSISDBHSA-N 368.437 2.333 0 40 FEAB CCc1noc(C2(NC(=O)[C@@H]3CCc4cccc(OC)c43)CCOCC2)n1 585141532 CAFVIZOOYCQEQP-CQSZACIVSA-N 371.437 2.493 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCCc1ccc(-n2cccn2)cc1 58100993 DTSIOWLURYXBOO-OAHLLOKOSA-N 354.454 2.226 0 40 FEAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2csnn2)C1 58515044 PSXADSGJHCMFDE-SECBINFHSA-N 351.819 2.077 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 61551710 NSUCYTYXCZICCR-UHFFFAOYSA-N 358.398 2.169 0 40 FEAB O=C(NCc1cccc(F)c1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 5000176 ZFOWSYJYWSSKJF-IRXDYDNUSA-N 357.385 2.109 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1coc(=O)c(Br)c1 5054546 PJLVEHOIXINWJG-UHFFFAOYSA-N 352.140 2.441 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cccn2)cc1 14059371 MDLUBEIGZZYSIZ-IBGZPJMESA-N 363.417 2.446 0 40 FEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCC1 14238539 KQMUPJYIJLUMLR-UHFFFAOYSA-N 358.847 2.100 0 40 FEAB COCCNC(=O)CN1CCC(c2nnc(-c3ccc(C)s3)o2)CC1 19217818 DKPOYDLJSJUVJD-UHFFFAOYSA-N 364.471 2.049 0 40 FEAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2ccncc2)cnn1-c1ccccc1 19374443 VWVNQJSERQDRBH-QGZVFWFLSA-N 361.405 2.337 0 40 FEAB O=C(CSc1nnc(CN2CCCC2)o1)NC(=O)Nc1ccccc1 19897546 SSIRYBYXPRKFIZ-UHFFFAOYSA-N 361.427 2.106 0 40 FEAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCCCn1ccnc1 19937712 XVLWAIWAFUBQSJ-UHFFFAOYSA-N 371.828 2.036 0 40 FEAB Cc1cc(C)cc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 19947142 ZGUQQGLLHKJBAC-UHFFFAOYSA-N 360.479 2.428 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 3563724 HAHVCUWLLKVXKZ-DYZYQPBXSA-N 351.353 2.404 0 40 FEAB CN(C)c1cc(NC(=O)N2[C@H]3CCNC[C@H]2CC3)ncc1Br 667664937 MBSRAALIBZITAB-GHMZBOCLSA-N 368.279 2.268 0 40 FEAB Cc1ccn(CCC(=O)NCc2nnc(-c3nccc4ccccc34)o2)n1 19238112 WYQBYRDIXXPUSX-UHFFFAOYSA-N 362.393 2.496 0 40 FEAB COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(OC)c1 2633784 SFPMCHXQRSHTFQ-UHFFFAOYSA-N 358.181 2.206 0 40 FEAB COc1ccc(CCN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 1889197919 FCXZHFCWWUEIKG-UHFFFAOYSA-N 364.453 2.036 0 40 FEAB O=C(Cc1ccc(F)cn1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565548469 CPJZQUKNMARBNI-HBFSDRIKSA-N 371.412 2.133 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C 4497709 WOHAUXCDWDJIMC-CQSZACIVSA-N 360.435 2.087 0 40 FEAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 4698171 RFMPETSDZRKPCC-PDOICOKGSA-N 365.470 2.317 0 40 FEAB O=C(Cc1ccccc1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987460 QOCUPEQTPPILGS-HNNXBMFYSA-N 352.390 2.127 0 40 FEAB O=C(/C=C/c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 17178065 XXQICWBBHGYZNJ-ZHACJKMWSA-N 370.474 2.204 0 40 FEAB O=C(NCC1CCN(C2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 225566361 OBIACOICIURIGV-UHFFFAOYSA-N 361.442 2.428 0 40 FEAB CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(OC)cc3)C2)c(C)n1 12181368 JRWAMYBOQDJCBD-DLBZAZTESA-N 357.410 2.160 0 40 FEAB CSc1ccc(N2C[C@@H](C(=O)NCCCN3CCCC3)CC2=O)cc1 40051464 PNZDLFMTOHKITG-HNNXBMFYSA-N 361.511 2.364 0 40 FEAB CCN(CC)C(=O)N1CCN(Cn2nc(C(C)(C)C)[nH]c2=S)CC1 40091187 XURKXFSRSYMPOG-UHFFFAOYSA-N 354.524 2.275 0 40 FEAB COc1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1 40120776 KJFQBLOYYJOTNY-UHFFFAOYSA-N 369.469 2.030 0 40 FEAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20332598 PQQJTQJWKHFMCQ-BMRADRMJSA-N 372.469 2.173 0 40 FEAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(C1CCCCC1)CN2 20522295 QTFLBYYTHHWNCZ-UHFFFAOYSA-N 354.454 2.297 0 40 FEAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1 32071488 PUYNLPRCXWOGLO-MRXNPFEDSA-N 373.434 2.248 0 40 FEAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 22835846 KOVXRLUUUZXTMG-INIZCTEOSA-N 368.499 2.406 0 40 FEAB Cc1cccc2c(CC(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)c[nH]c12 78113681 SZHLUATXOWVEFQ-ZDUSSCGKSA-N 353.344 2.298 0 40 FEAB Cc1ccc2c(c1)nnn2C1CCN(C(=S)NC[C@H]2CCCO2)CC1 1380678 CPZWBGRVNJOIKP-OAHLLOKOSA-N 359.499 2.430 0 40 FEAB C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)Cn1ncn2nccc2c1=O 79061272 RPTDMHISPLWHBZ-GDBMZVCRSA-N 351.410 2.033 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 23014204 QYPFZPGEQTWOSE-HNNXBMFYSA-N 374.824 2.416 0 40 FEAB COCCNS(=O)(=O)c1c[nH]c(C(=O)OC2CCCCCCC2)c1 79110439 IZDHCCPJHBPARZ-UHFFFAOYSA-N 358.460 2.209 0 40 FEAB CC1(C)C[C@H](NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CCO1 79190368 PYKWQTVARNTDKH-IUODEOHRSA-N 359.426 2.241 0 40 FEAB biogenic NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2CCc2ccccc2)C1=O 2152188 HLQPGBVLKOXMMG-MOPGFXCFSA-N 374.444 2.311 0 40 FEAB biogenic NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC(F)F)cc2)cc1 3495559 NKOOSGDSJOWCCA-UHFFFAOYSA-N 364.304 2.182 0 40 FEAB CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1 24032708 KWCXEQVSCKDZFH-UHFFFAOYSA-N 366.405 2.095 0 40 FEAB O=C(c1ccc(CNS(=O)(=O)N2CCCCCC2)cc1)N1CCCC1 25373533 PZOPGRUOVZQGHM-UHFFFAOYSA-N 365.499 2.133 0 40 FEAB CC(C)C[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26304437 XJFWAJUOKAIPEX-HXUWFJFHSA-N 374.529 2.265 0 40 FEAB C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57482934 PGYHDKRAKXXXAW-SECBINFHSA-N 368.352 2.134 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCC(=O)N1CCOCC1 58194055 ZAPZMRLVIXTELJ-HNNXBMFYSA-N 359.470 2.138 0 40 FEAB Cc1nc2c(cc(OCC(=O)N3CCNC(=O)C3)c3ccsc32)s1 48290851 SOOFIJYZUJXLQA-UHFFFAOYSA-N 361.448 2.157 0 40 FEAB C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22432044 INMAUOWVELUOKC-CYBMUJFWSA-N 350.415 2.469 0 40 FEAB COc1ccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(C)=O)cc1 2372655 JTJOJPNAEILTCE-UHFFFAOYSA-N 352.346 2.436 0 40 FEAB COc1ccc(OC)c(CCN2C(=O)[C@@H](CCSC)NC2=S)c1 58174032 DMYRAVUZXWOBTC-CYBMUJFWSA-N 354.497 2.085 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102082020 OUINHSIMBCNMMJ-RFHIVJSQSA-N 350.418 2.375 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(F)c1 46171625 VJDYYOCQJODWGI-QGZVFWFLSA-N 364.442 2.342 0 40 FEAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]1 12826142 KPYFUTBIOQRYNN-INIZCTEOSA-N 367.449 2.278 0 40 FEAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3S(C)(=O)=O)cc2NC1=O 29994006 LEMDHTONJJESPT-SNVBAGLBSA-N 360.391 2.062 0 40 FEAB O=C(COC(=O)c1cc2c(s1)CCCC2)NC(=O)NCc1ccco1 3498802 INQVFAQDJSSOPY-UHFFFAOYSA-N 362.407 2.403 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cc1 13388658 UJRZSQNGOVNVMB-LBPRGKRZSA-N 353.421 2.097 0 40 FEAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 13555332 RNSSLAJPOYTQGI-GFCCVEGCSA-N 359.407 2.445 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078956 XUIWVCFZTBMYSG-FNXXIHLHSA-N 369.465 2.161 0 40 FEAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=S)Nc1ccccc1 5215521 NNJKRZBHSBAUTK-SOUVJXGZSA-N 361.467 2.058 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 14093644 FCEYTKNRKFVZCG-UHFFFAOYSA-N 352.387 2.003 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)CCO2 65548200 WSFRZKKPCLPHTQ-UHFFFAOYSA-N 363.391 2.058 0 40 FEAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)C1CC(F)(F)C1 306123489 AOTMVPQOQYUENS-NWANDNLSSA-N 356.438 2.356 0 40 FEAB Cc1nnc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)o1 7073425 NEZGRAXNNDCILY-UHFFFAOYSA-N 372.454 2.147 0 40 FEAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2cc(=O)n3ccccc3n2)cc1 15748364 OEJCZRVFJSPSSK-CQSZACIVSA-N 366.373 2.408 0 40 FEAB C[C@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@H](c2ccccc2)O1 67828913 YUTGNHKYNQAUEL-KBXCAEBGSA-N 354.406 2.153 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)c1 16023191 BNHQNTAAMJLJOC-UHFFFAOYSA-N 367.810 2.402 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 16313997 MDLIULGKRVVLPF-JTQLQIEISA-N 350.758 2.489 0 40 FEAB CCc1ccc2c(COC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc(=O)oc2c1 16418246 RKQLYIXVJDQMGG-ZDUSSCGKSA-N 362.403 2.347 0 40 FEAB NC(=O)[C@@H](CNC(=O)NCc1cc(F)ccc1F)Cc1ccc(F)cc1 69441215 CAHLNPOBAYGKAX-CYBMUJFWSA-N 365.355 2.247 0 40 FEAB COc1ccccc1CNC(=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 18149089 YHBQTIJYAVVCQL-IYBDPMFKSA-N 356.422 2.043 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(OC)nc1)c1ccc(OC)c(OC)c1 8752487 XMDKSIJTNTYBKZ-CQSZACIVSA-N 374.393 2.142 0 40 FEAB CN(C)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1F 548173264 QSBDHVUOOUCFGU-UHFFFAOYSA-N 358.417 2.053 0 40 FEAB COc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc(C)n1 61971819 MNFWJOUMZJCRMP-UHFFFAOYSA-N 365.437 2.166 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21)C1CC(F)(F)C1 306128243 GVBOJYNJOKNULC-BFYDXBDKSA-N 368.399 2.434 0 40 FEAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123405543 SENSDRYGCFGXOG-YXLNJTPFSA-N 352.515 2.473 0 40 FEAB CC[C@H](CCNS(=O)(=O)c1c(C)nn(C(F)F)c1C)n1cccn1 36614866 QARGZKRNQMNJSH-GFCCVEGCSA-N 361.418 2.411 0 40 FEAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 306145084 ZXLCQSUBUZSMSD-INIZCTEOSA-N 367.449 2.403 0 40 FEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@H]1c1ccccc1 31853540 LXBWUMGVJIPBIQ-RBUKOAKNSA-N 371.433 2.279 0 40 FEAB COc1cccc(-c2noc(-c3ccc(S(=O)(=O)NC4CC4)o3)n2)c1 36360101 BSDLISIQQZLLNK-UHFFFAOYSA-N 361.379 2.446 0 40 FEAB O=C(Cc1noc2ccccc12)NCCn1cnc(-c2ccccc2)cc1=O 70655816 XCBYLCORIQVZMI-UHFFFAOYSA-N 374.400 2.410 0 40 FEAB O=C(c1cc(Br)cs1)N1CCCN([C@@H]2CCOC2)CC1 1565522274 WXOMIYHCEBPSGQ-GFCCVEGCSA-N 359.289 2.447 0 40 FEAB CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 39985468 RZKYMOQVAFNGMM-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@]2(CCS(=O)(=O)C2)C1 560428708 SKWOEBICARJSRC-SFHVURJKSA-N 363.483 2.393 0 40 FEAB NCC1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218058020 LKQRYSGABRKABZ-JKSUJKDBSA-N 350.871 2.184 0 40 FEAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@]32NC(=O)c3ccccc3N2)cn1 72327507 HWDUBZMWNHPPPV-LIVBEALHSA-N 365.437 2.393 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21 219440558 XFSBYCZWXXYLBH-UHFFFAOYSA-N 370.430 2.201 0 40 FEAB CN(C)S(=O)(=O)c1cccc2c1CCN([C@H](C(=O)O)c1ccccc1)C2 563892162 DRVZNIASWIORJI-SFHVURJKSA-N 374.462 2.121 0 40 FEAB C[C@H](CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1 84838955 VEAMHVBDSQATMY-CYBMUJFWSA-N 368.474 2.392 0 40 FEAB COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)NS(C)(=O)=O)cc1 225955555 ZKIGGIFQOXKEFS-MRXNPFEDSA-N 366.414 2.453 0 40 FEAB Cc1ccccc1CNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224297049 DIPBBQXYWPWGPZ-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB Cc1cc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)ccc1-n1cccn1 574391300 QNELMEJCCLZUAH-AWEZNQCLSA-N 352.398 2.024 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106763 CIQBDRUYBKXKCA-QGZVFWFLSA-N 353.422 2.457 0 40 FEAB COc1cc(N2CCC3(CC2)CO[C@H](COc2cccnc2)C3)ncn1 96217883 XLTMVRFMCOAUKP-INIZCTEOSA-N 356.426 2.335 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)n1 96062444 RYSBGJJNJDEUGW-IBGZPJMESA-N 372.494 2.211 0 40 FEAB CC(C)OC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101369 XUDVSBBARMDEJE-XAUMDUMWSA-N 373.453 2.188 0 40 FEAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1C(=O)C1CCOCC1 96206454 QSVMVPSLVAAGCO-CQSZACIVSA-N 356.426 2.187 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96158339 PLVNPBDNPQRFNP-LJQANCHMSA-N 355.417 2.452 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccccn3)C2)C1 96215833 GLQIOVBMKAAFSQ-WIYYLYMNSA-N 352.482 2.447 0 40 FEAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1cccs1 244942741 CXNWGMVNBDQLLO-HAQNSBGRSA-N 357.432 2.346 0 40 FEAB O=C(Cc1ccccn1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 247808597 CVWPOPWIZMTIIB-QGZVFWFLSA-N 366.396 2.450 0 40 FEAB O=S(=O)(C1CC1)N1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 247296828 CSIFBDHTZGXUSJ-KRWDZBQOSA-N 368.499 2.170 0 40 FEAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 257288395 PUANWTVOCBTMBH-QGZVFWFLSA-N 365.441 2.286 0 40 FEAB C[C@H]1Cc2cc(S(=O)(=O)NCc3ccccc3CC(=O)O)ccc2O1 275278331 NYGRBFHWCAYZKD-LBPRGKRZSA-N 361.419 2.116 0 40 FEAB C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)NC(=O)NC(C)(C)C 602920256 UIZRVIHWCWOJBP-KMUNFCNLSA-N 369.412 2.397 0 40 FEAB CN1CCCC[C@@H]1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112242 NGOUDZWVDVFEPT-RTBURBONSA-N 368.481 2.146 0 40 FEAB Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)n(C)n1 585099102 MEBBVLWBOAGVSG-QGZVFWFLSA-N 355.486 2.078 0 40 FEAB CN(C1CN(c2ncnc(-c3ccccc3)c2F)C1)[C@H]1CCCCNC1=O 1776001820 MVYUNWRLYBGLQK-INIZCTEOSA-N 369.444 2.072 0 40 FEAB Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 57199122 LHPLRVPORUKRPI-UHFFFAOYSA-N 353.426 2.481 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)Cc2coc3cc(C)ccc23)no1 96000996 CXARYQBRBZUZAT-HNNXBMFYSA-N 371.393 2.413 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 11327261 WJXLOGNIXYNQTR-UHFFFAOYSA-N 363.391 2.321 0 40 FEAB Cc1cccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 12199456 OIJIPDZSDZCCTJ-UHFFFAOYSA-N 358.419 2.127 0 40 FEAB Cc1ccc2oc(=O)n(CC(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)c2c1 12204910 DIXHSLIABYZPGX-HOTGVXAUSA-N 359.470 2.387 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)c3ccnn3C)nn2c1O 12276352 DQHXIMUUVOOVIE-AWEZNQCLSA-N 354.414 2.017 0 40 FEAB COCCOc1ccc(CN2[C@H]3CC[C@@H]2Cc2c(nc(C)[nH]c2=O)C3)cc1 19286361 XDKZWSBMFJVAFE-SJORKVTESA-N 369.465 2.235 0 40 FEAB CN1CCc2nc([C@@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 19590516 AFFXMRILAVUPDC-SFHVURJKSA-N 352.438 2.207 0 40 FEAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(C(C)C)c4nncn4n3)C2)cc1 19716284 UIYCHMKYUGAUAX-FQEVSTJZSA-N 365.437 2.290 0 40 FEAB CCCOc1ccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)nn1 12444109 YYXYEMGOPCEAKG-UHFFFAOYSA-N 370.453 2.301 0 40 FEAB CC(C)Oc1cncc(NS(=O)(=O)c2cccc3c2OCCCO3)n1 656186487 CEOJMDPTYUXPLO-UHFFFAOYSA-N 365.411 2.226 0 40 FEAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cncc(Br)c1 575605419 FKNYPZZYAAOPHU-HNNXBMFYSA-N 368.275 2.075 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Cl)nc2n1 5021425 BQYIJHOZBQBKTR-UHFFFAOYSA-N 359.773 2.190 0 40 FEAB O=C1[C@H]2CN(c3ncnc4ccc(F)cc34)C[C@@H]2C(=O)N1c1ccccc1 1888930483 VWAFHTQBCQRCPS-HOTGVXAUSA-N 362.364 2.395 0 40 FEAB Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)C2(F)CCC2)C3)cs1 1565543192 OWZNTPWOWYFFJG-CJNGLKHVSA-N 354.447 2.335 0 40 FEAB CCCCC(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 7388502 BHHNMRICPVHHBT-JTQLQIEISA-N 358.489 2.054 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c2ccccc2n1 10331140 YLAXCDMLOLRSLL-QGZVFWFLSA-N 366.421 2.494 0 40 FEAB Cc1ccc2c(c1)N[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)NS2(=O)=O 12414552 UCCPBZJSCKZIFX-CQSZACIVSA-N 369.805 2.456 0 40 FEAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]21 2055746133 PIEYOLYOKSXAOH-ZWKOTPCHSA-N 365.905 2.207 0 40 FEAB CN(C1CCN(c2cccc(C(F)(F)F)n2)CC1)S(=O)(=O)C1CC1 2086889373 PNUHAKMONMQJFF-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 225632334 XSUGCSPMSLYGFA-KGLIPLIRSA-N 355.818 2.286 0 40 FEAB O=C(Cn1ccc2ccccc21)N1CC(c2nc(-c3ncccn3)no2)C1 49482791 RNBFFUDRBPCNFE-UHFFFAOYSA-N 360.377 2.107 0 40 FEAB CCN1CCN(c2nc(Nc3ccc(OC)cc3)c3nccnc3n2)CC1 9074311 BLSBEZVIWFPIQD-UHFFFAOYSA-N 365.441 2.314 0 40 FEAB CCCNC(=O)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 40134399 BALDXQKPDBGRTD-KSSFIOAISA-N 361.467 2.219 0 40 FEAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 32777645 VJIDWHPAYIFUMG-LLVKDONJSA-N 358.419 2.340 0 40 FEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 32870648 PBWYRNGRWUBWDI-UHFFFAOYSA-N 363.391 2.070 0 40 FEAB CCN(CC)Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O 32900153 ZEDGUFGFYXDJMM-UHFFFAOYSA-N 364.449 2.466 0 40 FEAB CCCCN(C(=O)NC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 103242616 PJSNJNZAGNXJHS-ZOBORPQBSA-N 359.492 2.292 0 40 FEAB Cc1ccc2nc(CN3CCN(Cc4ccccc4F)CC3)cc(=O)n2c1 22780772 QPXSDGIPEOZCOT-UHFFFAOYSA-N 366.440 2.460 0 40 FEAB CC(C)(C)OC(=O)NCCCN(C[C@H]1CNC(=O)C1)C(=O)OC(C)(C)C 1857794849 NJTCSPWQKQGEHT-CYBMUJFWSA-N 371.478 2.274 0 40 FEAB CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1O 12411475 QNTFNQZGQHHYPX-HNNXBMFYSA-N 359.386 2.018 0 40 FEAB CC(C)[C@@H](CNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1 42482243 RXNXXHPVCKKGLT-QGZVFWFLSA-N 364.511 2.134 0 40 FEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1sccc1Br 42524330 HQTUMLJHRGQOBY-ZETCQYMHSA-N 356.263 2.384 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4487861 CYQBIBRVAZRZGH-YTBGYOSVSA-N 367.373 2.161 0 40 FEAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc2ccccc2c1 24096894 ZIMGNVNXICGASN-HNAYVOBHSA-N 372.446 2.007 0 40 FEAB COc1ccc(OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 24002067 UHTZQNAMFCIACW-HXUWFJFHSA-N 370.449 2.091 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 6766389 UWXYMULOFICNES-UHFFFAOYSA-N 374.418 2.048 0 40 FEAB NC(=O)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 7473662 KBTRVLYUCVJKTG-UHFFFAOYSA-N 369.465 2.447 0 40 FEAB Cc1sc2nc(CC(=O)NCCCN3CCCCC3)[nH]c(=O)c2c1C 24715996 ATJAMZRCGAEQPL-UHFFFAOYSA-N 362.499 2.136 0 40 FEAB CC(C)COC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 55910989 YOAQQEKBKGPVIC-UHFFFAOYSA-N 371.275 2.274 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 9194539 VMNJHKZIKWZPHP-UHFFFAOYSA-N 374.462 2.261 0 40 FEAB Nc1nc(COC(=O)c2ccc(F)cc2N)nc(Nc2ccccc2)n1 12539817 BXLVHKIIYVTBIK-UHFFFAOYSA-N 354.345 2.276 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101297597 IECSLZSBCQQMEJ-MJBXVCDLSA-N 354.447 2.393 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(Cl)c1 100604052 AFTFDPFRMWTSGR-JMSVASOKSA-N 356.875 2.411 0 40 FEAB O=C(NC(=S)N1CCCC[C@H]1CO)c1ccccc1Br 3281426 QVDXXDBDQAQCTN-JTQLQIEISA-N 357.273 2.311 0 40 FEAB O=C(c1cscn1)N1CCOC2(CCN(Cc3cccnc3)CC2)C1 107193099 IHYLAMCLFVOFTK-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2117884 HNPIQGSCCFRCHL-MEDUHNTESA-N 373.405 2.419 0 40 FEAB biogenic Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc3c(c1)OCO3)CCO2 57471824 UWMOGIZUDDYDPG-UHFFFAOYSA-N 355.346 2.306 0 40 FEAB COc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(OC)c(OC)c1)C(=O)N2 2440473 HIJAZIUDZVFUKZ-LJQANCHMSA-N 357.362 2.125 0 40 FEAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(C(=O)NCCO)nc4c23)C1 2442215 BCAOFZPPUFNAIH-JTQLQIEISA-N 373.482 2.212 0 40 FEAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)NC(=O)NC1CC1 12884444 KOTMHFHOWPHPJU-PMDBQALLSA-N 353.378 2.168 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ncn(Cc2ccccc2Cl)n1 2804382 YQQYEAZDJYRFDD-UHFFFAOYSA-N 366.834 2.121 0 40 FEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3459285 ANQPBVDAZBTRMM-JLTOFOAXSA-N 357.454 2.440 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3460621 DHKRUVKTMCKGMN-FQEVSTJZSA-N 365.389 2.295 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1cccc2cccnc12 8982431 GVRUIFHQYIUNOP-UHFFFAOYSA-N 374.422 2.147 0 40 FEAB CN(C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O)C1CCCCC1 3596828 IZFDZPOKVWUZKM-QGZVFWFLSA-N 357.454 2.331 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)C2CC2)CC1 12997062 UUELZBUITSMDCF-LLVKDONJSA-N 353.825 2.360 0 40 FEAB CCC(=O)c1cccc(S(=O)(=O)NCc2nnc(C(C)C)n2C)c1 96012540 TYLVMYPBYCXKMY-UHFFFAOYSA-N 350.444 2.010 0 40 FEAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 71415948 QFVXLYSFDYBKTI-JTQLQIEISA-N 362.245 2.023 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(-n2cnnn2)c1 5483288 WLEUZSQIKNFFNO-KRWDZBQOSA-N 364.409 2.055 0 40 FEAB C[C@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 14795679 RFCVVFSKNBXBPZ-NSHDSACASA-N 364.492 2.450 0 40 FEAB CCN1C(=O)C[C@@H](N2CCC(CCc3ccc(OC)c(OC)c3)CC2)C1=O 4753438 RUOAPPDBLRATTI-QGZVFWFLSA-N 374.481 2.496 0 40 FEAB Cn1cccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409102708 FAZFKKCUECSEOF-ZROIWOOFSA-N 358.785 2.210 0 40 FEAB O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccccc2F)C1 67386189 GDXCNHFBYVJMFB-CRAIPNDOSA-N 366.433 2.494 0 40 FEAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc(C(C)=O)cc1 7164431 WFLJWGWXGUVHFT-IBGZPJMESA-N 367.401 2.395 0 40 FEAB COCc1nc2cc(N[C@H]3CCCN(c4cnn(C)c4)C3=O)ccc2o1 80298244 ZYLZVHIWUJJTMS-AWEZNQCLSA-N 355.398 2.315 0 40 FEAB COC[C@@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccc(C)o1 90600319 AISCZTZEJODFRC-OAHLLOKOSA-N 362.405 2.341 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2C1=O 7895075 HZJGGTABPVRKBC-UHFFFAOYSA-N 366.373 2.060 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 9515690 GSOSHQQCMAQRFO-LJQANCHMSA-N 353.466 2.452 0 40 FEAB COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 8427723 ZDYVIXDEKZOVOH-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB NC(=O)C1CCN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC1 69607282 NKVJVEMVMBYYTA-UHFFFAOYSA-N 353.831 2.297 0 40 FEAB O=C1[C@@H](N2CCN(c3ccccc3Cl)CC2)CCN1C1CCOCC1 75092123 ZHYSUKAVNNVOSU-SFHVURJKSA-N 363.889 2.242 0 40 FEAB COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 89914338 AUJCVDUQZUCPBR-LJQANCHMSA-N 371.368 2.240 0 40 FEAB Cc1ccc(CN2C[C@@H](c3ccnn3C(C)C)[C@]3(C2)OCCNC3=O)cc1 306127385 FXHIXNCQFKPSSU-RXVVDRJESA-N 368.481 2.257 0 40 FEAB C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 408709438 SXPGBIBKZMJBRQ-ZDUSSCGKSA-N 351.406 2.395 0 40 FEAB Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)nn1[C@@H](C)C1CC1 529057179 PZVVOXBABMCGDO-CFVMTHIKSA-N 366.487 2.346 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)COCC2 75166207 QTIBCTUMVWZDKO-UHFFFAOYSA-N 352.437 2.018 0 40 FEAB O=C(Cc1nnc(-c2cccc(F)c2)o1)NCc1ccc2c(c1)OCO2 62007244 GMAVNUOLKOAHQI-UHFFFAOYSA-N 355.325 2.463 0 40 FEAB O=C(O)C1(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 567987489 DJLKDZUWJRLNJP-JTQLQIEISA-N 358.316 2.145 0 40 FEAB C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395606 RPUJNRRFWIVLKF-XYJRDEOASA-N 357.380 2.460 0 40 FEAB CC1(C)C(=O)N(Cc2ccccc2)CCN1CC(=O)Nc1nccs1 566955624 SRSVRCQXUOGHNK-UHFFFAOYSA-N 358.467 2.205 0 40 FEAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 329103441 NPZVVTNBHANBIM-RRFJBIMHSA-N 367.478 2.916 0 40 FEAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCOCC3)n2)o1 225916665 DYIALKSOLZONOM-UHFFFAOYSA-N 367.862 2.355 0 40 FEAB Cc1cnn(C)c1S(=O)(=O)N(CCC(=O)O)Cc1cccc(Cl)c1 570873060 HUSOVSQWFOQXLT-UHFFFAOYSA-N 371.846 2.048 0 40 FEAB O=C(Cc1ccc(NS(=O)(=O)c2cccnc2)cc1)NCC(F)(F)F 44037945 WYJRMASHCCVXJF-UHFFFAOYSA-N 373.356 2.103 0 40 FEAB O=S(=O)(c1ccc(N2CCC3(CC2)OCCO3)cc1)C(F)(F)F 47510758 GVURUGUEGZNMCR-UHFFFAOYSA-N 351.346 2.323 0 40 FEAB CCc1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 224282852 LJFFGCGNVPTXBY-HDICACEKSA-N 370.449 2.085 0 40 FEAB CC(=O)N1C[C@H](NC(=O)c2cncnc2C(C)C)CC[C@H]1C(F)(F)F 583621131 AJASHLPKUZJCNJ-YPMHNXCESA-N 358.364 2.272 0 40 FEAB c1csc(CN2CCOC3(CCN(CC4CCOCC4)CC3)C2)n1 96048992 HXMVXOILOCYMSO-UHFFFAOYSA-N 351.516 2.237 0 40 FEAB COC(=O)C[C@@H](c1c(O)nc2ccc(Br)cn2c1=O)C(C)C 96232448 NQISRQDSTURICL-SNVBAGLBSA-N 369.215 2.465 0 40 FEAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NCc2cnc(C3CC3)o2)c1 580048893 MDDFLJAKWVVTCG-UHFFFAOYSA-N 354.359 2.176 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107510 FCRJBGQZSSVTOB-PXNSSMCTSA-N 353.422 2.457 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(C(C)=O)C2 96056006 JBMNTDOANKNDGT-PXNSSMCTSA-N 362.445 2.449 0 40 FEAB CN(Cc1ccco1)C[C@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 248134066 RCKDNTYZQKQPQY-MRXNPFEDSA-N 371.485 2.253 0 40 FEAB O=C(C1CCCCC1)N1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 257203895 ASCXGXFENFMVEY-INIZCTEOSA-N 368.441 2.490 0 40 FEAB COc1cccc2c1CN(C(=O)NCc1cccc(N3CCOCC3)n1)C2 637059480 HLWMODUNVDLFOZ-UHFFFAOYSA-N 368.437 2.152 0 40 FEAB O=C(CCc1ccccc1)N1CCC(NC(=O)N2CCC3(COC3)C2)CC1 663722510 HQLQXCITFQCBSC-UHFFFAOYSA-N 371.481 2.042 0 40 FEAB CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2nn(C)cc2Cl)cn1 665922442 PINNUYFHMFNFDR-DOMZBBRYSA-N 351.838 2.074 0 40 FEAB Cc1cccc(N2CCN(CCC(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)CC2)c1 91486395 VKEPGZQPJAUUFQ-TZIWHRDSSA-N 370.541 2.060 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H](O)C1)C2 585103477 GQQNMEYXRSGOGW-RBUKOAKNSA-N 358.482 2.155 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685941925 DIRGWEBVJPWSPY-LIRRHRJNSA-N 355.442 2.491 0 40 FEAB CC(C)c1nc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cn1C 1565522538 JZFBZQCTDOLMMH-KBPBESRZSA-N 363.487 2.297 0 40 FEAB Cc1ccn2c(=O)c(C(=O)Nc3cccc(-c4nncn4C)c3)cnc2c1 76360602 SCKJAXURVLJYND-UHFFFAOYSA-N 360.377 2.051 0 40 FEAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5920472 VREJMCQQECSVGS-CZUORRHYSA-N 355.394 2.009 0 40 FEAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145231 QXKWCKHQAWNXJX-ZBFHGGJFSA-N 370.453 2.160 0 40 FEAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(C)(=O)=O)C3)cc2n1 12257572 HRZRHTOPWZIEEG-SNVBAGLBSA-N 362.377 2.196 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12336980 NVSPNHVEIUCCCE-LBPRGKRZSA-N 358.427 2.189 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13683479 OOPFFGMKWWRUMS-CJNGLKHVSA-N 355.438 2.416 0 40 FEAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(C)(C)C)CC1 14257845 UKQLXJKKKRUEQF-UHFFFAOYSA-N 362.499 2.214 0 40 FEAB C[C@H]1CN(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)C[C@@H](C)O1 19497452 YSTNBDSYUCVTHX-JTDSTZFVSA-N 363.477 2.188 0 40 FEAB CCN1CCC[C@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 19527240 GFMVUCUSHZBMLJ-KRWDZBQOSA-N 367.497 2.377 0 40 FEAB COc1ccc(C(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)cn1 19746093 ATYPZKZXPVVBLR-UHFFFAOYSA-N 369.356 2.317 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 3563726 HAHVCUWLLKVXKZ-BMLIUANNSA-N 351.353 2.404 0 40 FEAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccon1 8893116 WYGQQMSKLPPTCI-AWEZNQCLSA-N 362.455 2.408 0 40 FEAB O=C([C@@H]1CCOC1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888860104 CGSKUXGMTBKDDD-SQNIBIBYSA-N 364.449 2.075 0 40 FEAB Cc1cc(C)nc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888883410 GNFZWYHKBVKKHQ-CQSZACIVSA-N 365.441 2.314 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)[nH]1 1889102959 QDYHNOAJFLDEBY-UHFFFAOYSA-N 355.490 2.053 0 40 FEAB O=C1[C@@H](N2CC[C@@H](Oc3ccncc3Br)C2)CCN1C1CC1 1849482382 NZGQWOINKLGTGX-OCCSQVGLSA-N 366.259 2.061 0 40 FEAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 4941488 WTZJKTZZMNOMGW-LLVKDONJSA-N 356.781 2.220 0 40 FEAB Cc1cccc(Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1 9001666 ISCMBFYEFPMGFZ-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)C1 13789914 URJGJAXUBGZCCI-SECBINFHSA-N 357.432 2.046 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(Cc4ncc(-c5cnn(C)c5)n4C3)C2)o1 503734383 LYOVVLALNDCESM-FQEVSTJZSA-N 367.453 2.260 0 40 FEAB O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 31030606 XZLQOAVBHDXECE-UHFFFAOYSA-N 353.348 2.285 0 40 FEAB COC(=O)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(C)cc1 31953211 NYSWAXFOEVQXKY-INIZCTEOSA-N 365.389 2.266 0 40 FEAB COc1ccc(N2Cc3nc(=O)n(Cc4ccccc4C)n3C2=O)cc1 32100954 TYVHVIDDBSSZAS-UHFFFAOYSA-N 350.378 2.398 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1cc(C)ccc1C(N)=O 32866079 ZTSGFCNJVNMWJV-UHFFFAOYSA-N 358.394 2.477 0 40 FEAB COC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)sc2c1CCCC2 103155307 HKGFAMQWXBOYHV-DMTCVQMQSA-N 361.419 2.080 0 40 FEAB Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O 639017 FTKPXCYPAIODGW-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)C)c1c(C)cc(C)cc12 806628 QJFUGDJBJXOWTA-SFHVURJKSA-N 374.466 2.214 0 40 FEAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCCC1 801244 FFTJIQLBZDTGMJ-UHFFFAOYSA-N 366.483 2.299 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 1381571 ADPPSTOCYBRXMH-AOOOYVTPSA-N 358.489 2.005 0 40 FEAB COC(=O)[C@H]1CCc2cnn(Cc3nnc(-c4cccc(OC)c4)o3)c2C1 78991457 USJBKSWSFAPKMK-ZDUSSCGKSA-N 368.393 2.268 0 40 FEAB COc1ccc(C(C)(C)C(=O)NCc2nnc3ccccn23)cc1OC 79098538 QLAXROPLACJHQY-UHFFFAOYSA-N 354.410 2.341 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)NCCCn3nc(C)cc3C)CC2=O)cc1 23245984 MTAZUCCRRLIGIZ-LJQANCHMSA-N 368.481 2.363 0 40 FEAB CCNC(=O)C1(NC(=O)Cc2cnn(-c3ccccc3)c2)CCCCC1 42572841 IZZGFABDOOGXBB-UHFFFAOYSA-N 354.454 2.370 0 40 FEAB CC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 23652361 BKCOYTYTHZHQST-UHFFFAOYSA-N 352.500 2.270 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 24098306 BNMCRUMCEQEQSV-MRXNPFEDSA-N 374.437 2.226 0 40 FEAB Cc1cc(F)ccc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859779 PRULPKJYTSPTTQ-UHFFFAOYSA-N 353.400 2.313 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)OCCCC(=O)c2ccccc2)c1 6947174 OFEJCKHJEHLLHJ-UHFFFAOYSA-N 361.419 2.415 0 40 FEAB CN(C)Cc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102802863 NLRVXJZZJFAIDL-HZPDHXFCSA-N 357.454 2.252 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621290 ZHUBBYREOBUIBW-UHFFFAOYSA-N 364.357 2.302 0 40 FEAB biogenic CC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 35343726 WQYOVLLZNQYXJL-CYBMUJFWSA-N 352.866 2.086 0 40 FEAB Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(C)c(=O)c2[nH]1 57521671 FHLLMAPZIVUASL-CQSZACIVSA-N 368.462 2.466 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NCCc1ccc2c(c1)OCO2 57836026 HXSKYGQKUNTEBF-UHFFFAOYSA-N 370.430 2.213 0 40 FEAB O=C1CN(c2ccc(NC(=O)COC3CCCC3)cc2Cl)CCN1 44520023 WNYGGRNVMHOYOC-UHFFFAOYSA-N 351.834 2.174 0 40 FEAB Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1NS(C)(=O)=O 10112878 MNKJMAPUIJLQHE-UHFFFAOYSA-N 373.478 2.329 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1C 12786885 AYGBIPPDPDCUCY-UHFFFAOYSA-N 361.467 2.014 0 40 FEAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COc1ccc2c(c1)OCO2 58177837 XKTHYVZYHRSLBL-LBPRGKRZSA-N 374.780 2.219 0 40 FEAB O=C(CC1CCCCC1)NCCNC(=O)NCc1ccc2c(c1)OCO2 58249832 NJXTYJQRDKZVJF-UHFFFAOYSA-N 361.442 2.301 0 40 FEAB Cc1cccc(-n2ccnc2SCC(=O)N(C)CC(=O)NC2CC2)c1C 10348045 AOEFHIOAYYPEOY-UHFFFAOYSA-N 372.494 2.318 0 40 FEAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 20021488 DASRNEKLVMRFHN-UHFFFAOYSA-N 366.414 2.402 0 40 FEAB O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 95461208 DGRAJKFNKVUMHZ-CVEARBPZSA-N 370.405 2.268 0 40 FEAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc[n+]([O-])c1 10770780 IVKLEZHTQOJHCP-UHFFFAOYSA-N 354.406 2.333 0 40 FEAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 103021582 MGTKHQAUNWVZTJ-ZACQAIPSSA-N 362.495 2.346 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1OCC 102015895 JFSDGUHUVNAULE-LAQRGFTBSA-N 359.422 2.189 0 40 FEAB COc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cn1 10991354 HZZLUDOSHCNEHM-IBGZPJMESA-N 355.438 2.090 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2 46398240 LODCGYOFCOVZRP-GOSISDBHSA-N 364.511 2.038 0 40 FEAB COc1ccccc1CNC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 2631737 MVSAMNWLXAYMMB-UHFFFAOYSA-N 373.453 2.346 0 40 FEAB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@H]1CCCO1 3505661 SBBOMCFVKGTSLD-OAHLLOKOSA-N 373.453 2.331 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 3555968 LOAHONXSUQUYIE-UHFFFAOYSA-N 366.373 2.406 0 40 FEAB C[C@@H]1CN(CCCNC(=O)[C@@H]2CCN(C3CCCCC3)C2)C[C@@H](C)O1 72312743 CFVLQHHLWALZAP-KZNAEPCWSA-N 351.535 2.257 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4085326 KFPISKGRZHKJSV-ZENOOKHLSA-N 362.451 2.260 0 40 FEAB biogenic O=C(Nc1ccncc1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 49548447 ULUWVLKOEXYUTP-KRWDZBQOSA-N 370.478 2.390 0 40 FEAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)C(C)(C)C)ccc21 13722549 CQRWIIIKUDOUAE-HNNXBMFYSA-N 358.442 2.353 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(CC)c2n1 9321962 PRAAGYUUZQUKND-SNVBAGLBSA-N 372.454 2.326 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4ccccn4)nc3[C@H]2C)no1 306131842 KQSFPBMVSPPXRQ-CQSZACIVSA-N 366.425 2.081 0 40 FEAB C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@H](c2cccs2)NC(=O)N1 6206012 PQZXOUJFISJLLN-ZRFDWSJLSA-N 350.396 2.039 0 40 FEAB Cc1ccc(C2=CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1 9481990 JXVBHRLBAYGSGZ-NRFANRHFSA-N 367.449 2.331 0 40 FEAB O=C(O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 4777895 MAHHBZFQFMZIKP-XNTDXEJSSA-N 352.346 2.243 0 40 FEAB OC1(CN2CCOCC2)CCN(Cc2ccccc2Br)CC1 95459751 PJBJJFSSCJWBDS-UHFFFAOYSA-N 369.303 2.108 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccccn3)CC2)cc1 6881291 DAVJFWBKLPWFCY-HNNXBMFYSA-N 352.438 2.433 0 40 FEAB O=C1COc2cc(C(=O)NCCCn3cnc4ccccc43)ccc2N1 15137753 UELNGAOYPXUFKU-UHFFFAOYSA-N 350.378 2.187 0 40 FEAB CCn1c(=O)n(CC)c2cc(NC3=NS(=O)(=O)c4ccccc43)ccc21 4973289 WDQXGHZFJKJRJD-UHFFFAOYSA-N 370.434 2.404 0 40 FEAB COc1ccc(OC)c(NC(=O)CN(CCC(N)=O)Cc2ccccc2)c1 9513579 WCEFCCRLAIRYQG-UHFFFAOYSA-N 371.437 2.020 0 40 FEAB CN1CC(=O)N(CCCC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 7667222 VUUSRLHTGJIRIL-UHFFFAOYSA-N 359.304 2.198 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccs1 7723441 JYNWIBBMVGMIEW-UHFFFAOYSA-N 354.453 2.188 0 40 FEAB COc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1OC 7776230 LALOOCRZWZPKKN-VIFPVBQESA-N 364.427 2.043 0 40 FEAB COc1ccc(-c2noc(CSc3nnc(N)s3)n2)cc1OC 8273528 BVILPHZZFBSOKE-UHFFFAOYSA-N 351.413 2.480 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 69343144 TUNFZCXEHAKJDN-CABCVRRESA-N 355.456 2.083 0 40 FEAB COCCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 95998535 XWVPVLANKYJFFO-SFHVURJKSA-N 373.453 2.434 0 40 FEAB O=C(Nc1cccc2cccnc12)N(CCC(F)(F)F)C[C@H](O)CO 75108827 ACSVGLMCEBDEDW-LBPRGKRZSA-N 357.332 2.374 0 40 FEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1 78794776 AGJHCCULPJJTEQ-CYBMUJFWSA-N 371.437 2.288 0 40 FEAB CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccncc2)n(C)n1 71195714 CMCLITPFDLAPLD-INIZCTEOSA-N 350.426 2.371 0 40 FEAB COc1ccc(-c2noc(CCC(=O)NCc3ccncc3)n2)cc1OC 79481840 YKDFPCKSNBDAOD-UHFFFAOYSA-N 368.393 2.398 0 40 FEAB COc1cccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)c1 72241558 PTDKBTOBOZIFAS-RBUKOAKNSA-N 372.396 2.049 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)n1 71195634 MCUHTGVWZWKKKF-INIZCTEOSA-N 350.426 2.274 0 40 FEAB Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 48374592 AGLKVYZFQKVQMB-UHFFFAOYSA-N 358.463 2.295 0 40 FEAB CN(C(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)C1CCCCC1 44850492 ZIDHFAMKJHYFSR-UHFFFAOYSA-N 368.499 2.248 0 40 FEAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1C[C@H]1CCCO1 40398317 ISPRJYPYFDLWIY-CQSZACIVSA-N 365.368 2.424 0 40 FEAB COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 224130421 HOVRLGYTALGNGH-UHFFFAOYSA-N 362.451 2.404 0 40 FEAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223124807 FPZYWZWHVMIAGE-ZWKOTPCHSA-N 372.494 2.288 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCCN1CCOCC1 223169282 NYQSGGRTISJJTH-MSOLQXFVSA-N 371.510 2.105 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2=O)n1 96048816 NIMAEEKYHVMOSU-NRFANRHFSA-N 364.449 2.440 0 40 FEAB O=C(NCC1CC1)[C@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96240841 ZMTSRPUTPPHYKX-MRXNPFEDSA-N 362.495 2.072 0 40 FEAB Cc1occc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 96039535 GBBGCHHUUPUUDK-HKUYNNGSSA-N 350.459 2.178 0 40 FEAB COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1cccnc1 96044541 HPVFHRRSWKFIRU-IBGZPJMESA-N 356.470 2.451 0 40 FEAB O=C1NCC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 96080083 JXLZHFMFQHJADJ-UHFFFAOYSA-N 362.476 2.214 0 40 FEAB CN(C)CCNC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96266964 AMFRYKCMAMGPMB-UHFFFAOYSA-N 374.448 2.478 0 40 FEAB CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 249697444 USAKOEDSHJJLBU-IRXDYDNUSA-N 354.472 2.071 0 40 FEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C1CCN(C(C)=O)CC1 257218537 DDMGVQUHYUHTKY-SFHVURJKSA-N 354.454 2.460 0 40 FEAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)cs1 257240849 HVKSAFOUJDOPEP-CQSZACIVSA-N 357.439 2.496 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3ncccc3C)CC2)C[C@@H](O)C1(C)C 257219730 DHXGTMGHFOMTEC-MRXNPFEDSA-N 359.470 2.004 0 40 FEAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2Br)C1 643754565 AARHZYUDBKTTBD-INIZCTEOSA-N 355.276 2.254 0 40 FEAB O=C(Cc1ccn(-c2ccccc2)n1)Nc1cnn(C[C@H]2CCCO2)c1 674919537 XZPBXFUYGSAVFR-GOSISDBHSA-N 351.410 2.429 0 40 FEAB O=S(=O)(c1ccccc1F)N1CC[C@](O)(COc2ccccc2)C1 585275846 KGLFKYYDJVFDTF-QGZVFWFLSA-N 351.399 2.030 0 40 FEAB COc1ccc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)cc1 585112116 LOKKVTJKXPXRJI-GOSISDBHSA-N 369.469 2.254 0 40 FEAB O=C(O)c1cccc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 585277136 KKEPHESWCHIFFS-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 585108256 HZKXWBCCEZLPQU-HRCADAONSA-N 374.466 2.078 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cc1 585273369 SVEWBALNJVQRBH-OAQYLSRUSA-N 355.434 2.279 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCC(Oc2nncs2)CC1 825600115 DTKNAXPGTRCBKG-UHFFFAOYSA-N 359.860 2.424 0 40 FEAB O=C([C@H]1CN(Cc2ccccc2F)c2ccccc2O1)N1CCOCC1 29141367 LSHUOUDQJTZMOH-LJQANCHMSA-N 356.397 2.452 0 40 FEAB CC(C)(CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOCC1 44014534 VOGAXOWUCNTKHR-UHFFFAOYSA-N 374.485 2.155 0 40 FEAB COc1ccnc(N2CC[C@@H](Oc3ccncc3Br)C2)n1 1776008671 LRLOEXHOFPESIK-SNVBAGLBSA-N 351.204 2.300 0 40 FEAB Cc1sc2ncnc(SCCC(=O)N[C@H]3CCCNC3=O)c2c1C 50634269 VPJRTYRJOFGXFF-NSHDSACASA-N 364.496 2.185 0 40 FEAB CCOCCO[C@H](C)C(=O)NCc1cn2cc(Br)ccc2n1 58377666 ZEEHMUMVQIQEQV-LLVKDONJSA-N 370.247 2.155 0 40 FEAB O=C1COc2cccc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)c2N1 636370442 OMIBEXKWTKOFQV-LBPRGKRZSA-N 357.410 2.137 0 40 FEAB O=C(N/C(=C/c1ccccc1F)C(=O)N1CCOCC1)c1ccccc1 824956 NORLGEGIPLRCKI-NBVRZTHBSA-N 354.381 2.455 0 40 FEAB CC[C@@H]1CN(C(=O)c2ccccc2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595120 ZOFPMLSDUXXLDV-DJIMGWMZSA-N 352.425 2.487 0 40 FEAB CCc1cc(N2CCC[C@@H](C(N)=O)C2)n2nc3nc(C)cc(C)c3c2n1 12184396 VQHLJRLMDFLUKG-CYBMUJFWSA-N 352.442 2.158 0 40 FEAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)CC2CCCC2)CC3)cn1 13227853 BHEFVKLWLCGKPP-UHFFFAOYSA-N 353.426 2.413 0 40 FEAB COc1cc(CN2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc(OC)c1OC 19117921 QGDKCMLZYZNIHZ-OAHLLOKOSA-N 373.453 2.484 0 40 FEAB Cn1cc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2N)c2ccncc21 19290467 RKCGAKNDIUYWJX-ZWKOTPCHSA-N 364.449 2.271 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19406659 IOMAFVJJODWVKW-GFCCVEGCSA-N 367.434 2.308 0 40 FEAB C[C@H]1CN(CC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H](C)O1 19497488 MRLZZNRWWRLQTO-RYUDHWBXSA-N 364.446 2.316 0 40 FEAB COc1ccccc1C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19568862 CGZFSOYHCMWDBG-AWEZNQCLSA-N 352.438 2.151 0 40 FEAB CC(C)CC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694100 VFZDFJHNBTZZJD-UHFFFAOYSA-N 373.453 2.025 0 40 FEAB CC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 16891394 DLAIYMNETWVZKI-UHFFFAOYSA-N 357.454 2.188 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)n1nc(C(F)(F)F)ccc1=O 1888951550 QYJLJDJGAKJYCL-QMMMGPOBSA-N 351.288 2.338 0 40 FEAB Clc1cnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 2086968366 KMXIRWWKIQOEAZ-UHFFFAOYSA-N 353.817 2.309 0 40 FEAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cnn3ccccc13)C2 1565546052 RQOJUEUWLQZJNO-UHFFFAOYSA-N 364.453 2.210 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565550264 WVDWXRVAMYPRRW-HBFSDRIKSA-N 355.438 2.318 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)o1 1565554287 MYARTZHIMNPELK-SFHVURJKSA-N 359.451 2.213 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1OC 9828268 REMFTWQMCKBSIO-UHFFFAOYSA-N 362.407 2.389 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c(C)c1 10063773 KCXBJBCHQHLCKU-UHFFFAOYSA-N 373.434 2.273 0 40 FEAB Cn1cc(CN2CCC(Nc3cccc(F)c3)(C(=O)NC3CC3)CC2)cn1 2055738785 QJSXLJRGYBXGDD-UHFFFAOYSA-N 371.460 2.285 0 40 FEAB O=C(NCCS(=O)(=O)c1ccccc1)Nc1cccnc1N1CCCC1 40151157 VVDWRWOMWBFSRE-UHFFFAOYSA-N 374.466 2.277 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1Cc1ccccc1 30763087 ZMNOLVCYKLHXHG-INIZCTEOSA-N 355.438 2.085 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 40287848 ROUFOXRSWAYJOC-LLVKDONJSA-N 370.331 2.051 0 40 FEAB CN(C(=O)CN1CCC(C(N)=O)CC1)C(c1ccccc1)c1ccccc1 20940595 FQGJFSROIQOHMB-UHFFFAOYSA-N 365.477 2.432 0 40 FEAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c1OC 102896284 MBVDMQVQRWWGMV-YJBOKZPZSA-N 366.373 2.305 0 40 FEAB O=C([C@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)C1)N1CCOCC1 42011181 MOJDISAMQXKCEM-KRWDZBQOSA-N 356.466 2.206 0 40 FEAB CCCCc1nnc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)s1 78461606 ZXPQLBYPCRHMBU-ZDUSSCGKSA-N 353.492 2.067 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)OCC(F)(F)F 47843676 FRFQTASFAWKKMH-UHFFFAOYSA-N 356.322 2.056 0 40 FEAB in-vitro COc1cc(O)nc(S[C@@H](C)C(=O)Nc2nnc(C(C)C)s2)n1 4999460 PNARHADHWNGQEP-ZETCQYMHSA-N 355.445 2.285 0 40 FEAB Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1Br 6533387 JOBMKKONSZFJTC-UHFFFAOYSA-N 368.260 2.443 0 40 FEAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1noc(-c2ccco2)n1 23946574 LXECLNXMNYCLEM-UHFFFAOYSA-N 363.351 2.058 0 40 FEAB C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24799671 YPTHTYQDWZLJOE-UONOGXRCSA-N 367.405 2.173 0 40 FEAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 24991338 NQDKSWIAUMEXJW-CYBMUJFWSA-N 359.813 2.157 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccs1 25010459 ZQDYWZSQCXIDAU-GFCCVEGCSA-N 350.465 2.346 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H]3C[C@@H]4C=C[C@@H]3O4)nn2c1O 100139262 KLKSFMQPWISPJW-SDNTUTLCSA-N 368.437 2.313 0 40 FEAB CCN1C[C@H](CN(C)Cc2cc(=O)n3ccsc3n2)Oc2ccccc21 21672428 USPKHYDSXBOOHW-HNNXBMFYSA-N 370.478 2.475 0 40 FEAB Cc1cc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)no1 57525859 UYPULIHOWOSXEI-UHFFFAOYSA-N 370.409 2.144 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c1 9926473 LYONUWXMOQGQPY-HNNXBMFYSA-N 362.393 2.479 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)CCO1 58191977 OWNDGFSHTMRZQS-CYBMUJFWSA-N 367.862 2.045 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128793 PRDGNQMJFHRNEA-GVDBMIGSSA-N 360.502 2.026 0 40 FEAB CN(Cc1ccccc1F)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 52738264 TVJDJOHWFFIMCI-UHFFFAOYSA-N 361.417 2.429 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2ccccc12 3359536 FHTGKGLOPUIEKH-UHFFFAOYSA-N 368.368 2.245 0 40 FEAB CCCNC(=O)CN1CCN(CCOc2ccc3ccccc3c2)CC1 29173170 FMDZRICLCJAHEK-UHFFFAOYSA-N 355.482 2.362 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CCO1 11504094 XYLZHSQMJJXQQY-GFCCVEGCSA-N 366.464 2.410 0 40 FEAB CSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccccc2F)n1 46086059 NBBKTTXVKIYCCK-UHFFFAOYSA-N 354.794 2.360 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 29837620 KZDBHQOAXVOYQS-KRWDZBQOSA-N 365.477 2.370 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc(O)cc1 2646781 ARUNZUYZBOWYLR-GFCCVEGCSA-N 367.434 2.438 0 40 FEAB CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146333 RLXFJLAFBHRVGP-CYBMUJFWSA-N 366.414 2.127 0 40 FEAB O=C(OCC(=O)N1CCc2sccc2C1)c1cnc2ccccc2n1 14141680 GBQUTZWUMVOLGU-UHFFFAOYSA-N 353.403 2.433 0 40 FEAB Cc1ccc(CSCCNC(=O)c2cnc3n(c2=O)CCS3)cc1 14137033 HODXSQFYKVZOGC-UHFFFAOYSA-N 361.492 2.321 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)OC)cc1 14139273 BRRJZPATSLFVEH-UHFFFAOYSA-N 363.391 2.085 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1cc(Br)c[nH]1 14201792 VJRAJMYDMXKJCW-UHFFFAOYSA-N 367.199 2.259 0 40 FEAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(O)cc1O 6841047 WHIMUPKSSZDNDS-UHFFFAOYSA-N 372.406 2.447 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9496935 UTLREIPYEZCOEV-AWEZNQCLSA-N 371.462 2.162 0 40 FEAB CCc1ccc(-n2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 67262079 APMIWWXVXDOMLE-UHFFFAOYSA-N 350.378 2.488 0 40 FEAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@H]2CO)cc1 95452975 XOFBESJGEXYINV-WMZOPIPTSA-N 362.470 2.263 0 40 FEAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccccc1OC(F)F 8718451 AOALEEJUXUPZNO-UHFFFAOYSA-N 373.363 2.300 0 40 FEAB CONC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 8919866 MDQSHQPVJPPMGL-UHFFFAOYSA-N 367.254 2.072 0 40 FEAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CCO)CC1 96983417 ZJEUTGQBJAAOIZ-GFCCVEGCSA-N 370.375 2.426 0 40 FEAB COC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(NS(C)(=O)=O)cc1 97103814 GPNVLHHHWBGIJF-INIZCTEOSA-N 366.414 2.393 0 40 FEAB O=C(NOCc1ccccc1)C(=O)Nc1cccnc1N1CCCCC1 95954144 YTKHPTCCDITISG-UHFFFAOYSA-N 354.410 2.258 0 40 FEAB NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 89764425 PPKDOXUSNALAGR-ZDUSSCGKSA-N 350.850 2.205 0 40 FEAB CCOc1cc(NC2CCN(C(=O)NCc3cc(CC)no3)CC2)ncn1 546636761 SMPPMUUMSSIFRW-UHFFFAOYSA-N 374.445 2.212 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1)C1CC(F)(F)C1 306138759 SGMMYGMYDXABKJ-CQSZACIVSA-N 364.396 2.270 0 40 FEAB COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nccs3)cc2c1OC 36585345 KFUKOXJVOPOSGA-SECBINFHSA-N 374.422 2.399 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(OCCO)cc1 524733876 YCENERROEFOVOB-UHFFFAOYSA-N 359.430 2.024 0 40 FEAB O=C1C[C@H](CNC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CN1 521995108 QTTJLBKRFRYANV-LBPRGKRZSA-N 362.499 2.047 0 40 FEAB C[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 72400511 ZCUNWDGZMQIQBI-AWEZNQCLSA-N 361.405 2.309 0 40 FEAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2C2CCOCC2)n1 35425015 LTGUAHZVZXLCCY-INIZCTEOSA-N 374.441 2.473 0 40 FEAB biogenic,in-vitro COC(=O)CSc1nnc(NS(=O)(=O)c2cc(C)ccc2C)s1 223694020 YETJXWJGEYYEEW-UHFFFAOYSA-N 373.481 2.221 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223571807 QZLKYTUGVFDKMN-ZWKOTPCHSA-N 368.462 2.489 0 40 FEAB CC(C)(C)SCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O 225852937 XOHINUCMTPVFFB-UHFFFAOYSA-N 358.529 2.096 0 40 FEAB COc1cnccc1N1CCN(C(=O)c2ccc(NC3CC3)nc2)CC1 530316317 SIOOYOMYAOCUHO-UHFFFAOYSA-N 353.426 2.022 0 40 FEAB O=c1c2nn(Cc3cccc(Cl)c3)c(=O)n2ccn1-c1ccccc1 225546945 JVKWMRAIKKQZRK-UHFFFAOYSA-N 352.781 2.349 0 40 FEAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4ccoc4C)CC[C@@H]3C2)nn1 96249799 KRORNPMBJBAPAG-NVXWUHKLSA-N 356.426 2.054 0 40 FEAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 96219342 RCBPEIORHAFLJM-YLJYHZDGSA-N 358.486 2.068 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96110857 QFWIDKUHAQDCCT-LIRRHRJNSA-N 359.401 2.402 0 40 FEAB O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 97953812 OTZSPAKYSQVFAO-QXAKKESOSA-N 355.438 2.013 0 40 FEAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1cccs1 247885212 WUEAVKQPEIGSAP-MRXNPFEDSA-N 360.483 2.187 0 40 FEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cscn2)C3)cs1 248017590 IDVSBNNYMPKVBK-CYBMUJFWSA-N 365.480 2.498 0 40 FEAB O=C(Cc1ccccc1)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1 247805226 AKWNCMZPSPIENJ-HXUWFJFHSA-N 369.465 2.452 0 40 FEAB Cn1nc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cc1C1CC1 607791699 HHYRLLGPONXEPO-UHFFFAOYSA-N 359.451 2.294 0 40 FEAB CC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)cc1 257236407 HBZWEPRIJLFPSW-FTEYMNFISA-N 359.470 2.047 0 40 FEAB Cc1cc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)nc(C)n1 257275281 NOQZEQLYERUSGS-OAHLLOKOSA-N 359.430 2.133 0 40 FEAB C[C@@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1c1ncccn1 253591319 MCWOEWHHTGJSFJ-CYBMUJFWSA-N 368.466 2.288 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC2(C1)OCC[C@H]2COc1ccccn1 253615590 DLURSLIFJWEBIU-INIZCTEOSA-N 356.397 2.460 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 1626277128 NAAKILCFWVTEIN-UHFFFAOYSA-N 369.446 2.471 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1)C2 630658725 OMTFYRDDOYHBDC-QZTJIDSGSA-N 358.438 2.050 0 40 FEAB CN(CCC(=O)O)S(=O)(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 645993429 ZZFIJZVAOFZCPK-GOSISDBHSA-N 374.462 2.437 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(c2nncn2C)CC1 667530372 XHMXCDWHZDTGEB-FUHWJXTLSA-N 358.490 2.379 0 40 FEAB COC(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1186940118 TXNVLENTARQQCW-UHFFFAOYSA-N 374.418 2.385 0 40 FEAB COc1cccc2cc(C(=O)Nc3cnn([C@@H]4CCOC4)c3)c(=O)oc12 96123146 YQTZHAHZJBWTCL-CYBMUJFWSA-N 355.350 2.212 0 40 FEAB O=C(NCCn1nnc2ccccc2c1=O)c1ccccc1C(F)(F)F 575617791 WVXMOEONBJFXIW-UHFFFAOYSA-N 362.311 2.240 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@](CO)(Cc2ccccc2F)C1 585279476 ZMCKOQBNCKBMJW-HXUWFJFHSA-N 359.397 2.330 0 40 FEAB O=C(C[C@@H]1CN(CCc2ccccc2)Cc2cccn2C1)N1CCOCC1 585099264 ZLZCEZBDMCCMIG-HXUWFJFHSA-N 367.493 2.412 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)c1ccncc1 585112598 UCWYCHMEFKQATA-SFHVURJKSA-N 362.437 2.050 0 40 FEAB CC(C)NC(=O)Nc1cccc(C(=O)NCCC(=O)N2CCCCC2)c1 48356518 FKJMVMWFANKEGD-UHFFFAOYSA-N 360.458 2.349 0 40 FEAB Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)N2CCNC2=O)ccc1F 56154871 MCGBUYLHYQMNNJ-SNVBAGLBSA-N 374.372 2.332 0 40 FEAB O=C(NC1CCOCC1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585581911 JDNHXYJXBQDEIN-UHFFFAOYSA-N 370.457 2.070 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2cccs2)CCOCC1 96025720 PMSPGVZUZZTJGI-UHFFFAOYSA-N 369.512 2.125 0 40 FEAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NC1CC1 5797115 ZSYZPMCSRHZGFH-QMMMGPOBSA-N 373.360 2.320 0 40 FEAB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC 11610531 IPPVFQNHAIZJNP-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)C1 12146283 WEFVFOWXMRGFKE-RKVPGOIHSA-N 369.465 2.142 0 40 FEAB O=C(CCn1ccnc1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12221953 UPEIFOPCRXBVBH-UHFFFAOYSA-N 352.398 2.124 0 40 FEAB Cc1nc(C)c(C(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)o1 12290892 XQUCAEFEEWXTFG-UHFFFAOYSA-N 361.417 2.144 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 13585085 UVPUJGXFWDIAOQ-UHFFFAOYSA-N 374.462 2.478 0 40 FEAB O=C(O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 16042230 ONHACSZYTRSPKH-GXTWGEPZSA-N 353.378 2.198 0 40 FEAB O=C(Nc1ccc(F)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850886 UXWHENGZRMWEGK-ZDUSSCGKSA-N 363.414 2.123 0 40 FEAB COc1ncc(CN(CCCN2CCOCC2)Cc2ccc(C)o2)cn1 19216457 ODZIFNAXINIWKI-UHFFFAOYSA-N 360.458 2.111 0 40 FEAB C[C@@H](Cc1ccc(F)cc1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19456806 RXNVLQCVSUCOOY-HOCLYGCPSA-N 368.460 2.263 0 40 FEAB O=C(c1ccco1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 4583326 KVGHQIJDBKZNJO-UHFFFAOYSA-N 355.442 2.412 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)nn1 1888856485 CGXDLBUCOJAZHS-HUUCEWRRSA-N 351.454 2.378 0 40 FEAB CCc1cc(OCC2CCN(c3ncnc4n[nH]cc34)CC2)nnc1C 1888900817 KFDVYDNGTNGJQF-UHFFFAOYSA-N 353.430 2.309 0 40 FEAB Cn1cncc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840375 LJJULUCXLJHWES-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB CC(=O)N1[C@@H](CNC(=O)c2cccc(F)c2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 2037844064 MUSQCFAXFNVNOM-FTEYMNFISA-N 362.445 2.486 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 1565541752 UCCIZKNUOFJJNK-SIKLNZKXSA-N 364.445 2.049 0 40 FEAB CO[C@H]1CC2(CCN(C(=O)CCS(C)(=O)=O)CC2)c2cc(C)ccc21 2055812454 BPIWMNLGFFGXRB-KRWDZBQOSA-N 365.495 2.381 0 40 FEAB NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1N 1775937669 CMCOEZJZJZCHTH-UHFFFAOYSA-N 364.171 2.444 0 40 FEAB O=C(Cn1ccc2ccccc21)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967143 HBRPXYSSTXHQBC-UHFFFAOYSA-N 362.433 2.234 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 31545519 PUSXRXZBOQLTGI-UHFFFAOYSA-N 367.375 2.263 0 40 FEAB Cn1cc([C@H]2CN(S(=O)(=O)c3cccnc3)Cc3ccccc32)cn1 575620312 SNGBMQHFWOOMSC-GOSISDBHSA-N 354.435 2.152 0 40 FEAB COc1ccccc1C1(C(=O)NCc2nccnc2-c2cnn(C)c2)CC1 575619187 IKSGAWBJKXPMER-UHFFFAOYSA-N 363.421 2.234 0 40 FEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828832 URXOTIDOIUZAHO-JSGCOSHPSA-N 352.435 2.304 0 40 FEAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)cc1 4271827 PDXKOQYTRDYXDF-UHFFFAOYSA-N 371.422 2.150 0 40 FEAB COC(=O)Nc1nc(CC(=O)NCCOc2ccc(F)cc2)cs1 38488579 IKJMTWWKVKOGAJ-UHFFFAOYSA-N 353.375 2.198 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)c(C)c1 85560342 LACNPOMHKCPMGP-LJQANCHMSA-N 361.463 2.202 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 40017421 XZSAEJHGKRLOOD-UHFFFAOYSA-N 372.490 2.438 0 40 FEAB C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2 40025702 BEJDBYBOKCEBNS-AWEZNQCLSA-N 369.421 2.180 0 40 FEAB CC/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20290510 PHTIISQROPSPCW-YZGLPLCXSA-N 357.410 2.011 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CCO1 50853148 LTOVNICUHVZIAV-YDHLFZDLSA-N 371.462 2.059 0 40 FEAB COc1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 32247968 ITLJZJLLBCKQEI-FQEVSTJZSA-N 354.450 2.255 0 40 FEAB C[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCc2sccc2C1 32428620 HFRWKBMMVHBKJJ-GFCCVEGCSA-N 371.462 2.256 0 40 FEAB COc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1OC 32768216 JPBXPRMDHRXPMN-MRXNPFEDSA-N 367.409 2.421 0 40 FEAB CC[C@@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1C)N1CCCC1 32916558 XTVVRHVPVZPZCC-AWEZNQCLSA-N 356.488 2.165 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nnc2ccccn12 22422280 NVZYMAZPPRIACC-ZWNOBZJWSA-N 353.357 2.172 0 40 FEAB CC[C@H]1C(=O)NCCN1C(=O)Cc1csc(COc2ccc(C)cc2)n1 78607802 MBLYBFVKQWAXPT-INIZCTEOSA-N 373.478 2.310 0 40 FEAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(N2CCOCC2)C1=O 939169 CQLUOZCQAZHMEB-UHFFFAOYSA-N 357.193 2.004 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(F)c1 3594582 INSDLMRAOQWUKL-LJQANCHMSA-N 353.353 2.158 0 40 FEAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 42869011 YXCIINODAOZGKU-HNNXBMFYSA-N 366.483 2.043 0 40 FEAB C[C@@H](c1ccccc1)n1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1 4986252 IHWBXVFYMUQQNG-GOEBONIOSA-N 364.405 2.457 0 40 FEAB COc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 6486731 KAFKUICIZVEOMN-LBPRGKRZSA-N 357.362 2.286 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1 12552615 OYWIPTAAGGRFBG-UHFFFAOYSA-N 360.391 2.312 0 40 FEAB CCOC(=O)[C@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1ccc(OC)cc1 1404419 ZWIOIWVFOWRXQL-IAGOWNOFSA-N 352.390 2.492 0 40 FEAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(N2CCOCC2)nc1 48070452 OLXSMKBJONBIEI-MRXNPFEDSA-N 354.410 2.043 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)NC2CCCCC2)cc1 9926924 IADAUSCDMOQFOK-QGZVFWFLSA-N 372.469 2.166 0 40 FEAB CC[C@H](c1nnc(SCC(=O)NC)n1-c1ccc(OC)cc1)N(C)C 58165597 SQRMMIBRTSUVCB-CQSZACIVSA-N 363.487 2.127 0 40 FEAB CCOC(Cn1cc(C(=O)N[C@@H](C)Cc2ccsc2)nn1)OCC 58264671 ZHFRCANQHZNNDO-LBPRGKRZSA-N 352.460 2.100 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC(C)C)NC2=O 100181577 FLWPITKDAWGKND-MEGQDDJESA-N 358.438 2.475 0 40 FEAB Cc1csc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1 10555547 OALDSCBYDHLRPD-UHFFFAOYSA-N 359.860 2.412 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)NCCOc2ccc(F)cc2)c1 29300478 XLEDPUPZPDPBSX-UHFFFAOYSA-N 352.387 2.006 0 40 FEAB CCc1nnc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)o1 29877258 IQBFHQRRXWKORX-UHFFFAOYSA-N 368.440 2.316 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1Cc2ccccc2O1 29844918 DQIWXURTHVIVDU-RDJZCZTQSA-N 358.463 2.241 0 40 FEAB COc1cc(CC(=O)NC[C@@H]2COc3ccccc3O2)cc(OC)c1OC 2662961 QKDHBAXGEUWCAE-CQSZACIVSA-N 373.405 2.211 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)c2cccc(C[S@@](C)=O)c2)ccn1 47014627 XBPFOMCYLDQXME-SANMLTNESA-N 368.462 2.384 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)Nc1cccc(N2CCOC2=O)c1 62648649 JEKSTDXEWIVRKO-UHFFFAOYSA-N 364.402 2.289 0 40 FEAB COc1cc(CN2CC[C@H](NC(=O)CC[C@@H]3CCCO3)C2)cc(OC)c1 87502844 INCDMKNFJZOWRM-IRXDYDNUSA-N 362.470 2.354 0 40 FEAB COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1N1CCOC1=O 63640241 KOQZDZIFCMMAAC-QWHCGFSZSA-N 360.366 2.257 0 40 FEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2N1 13570947 CWWUAEZGCSTWAO-SECBINFHSA-N 359.695 2.472 0 40 FEAB CN(C)S(=O)(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96000631 DODLOPLQTIVJJG-CQSZACIVSA-N 350.444 2.460 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)[C@H]2C1 408678586 FTDCJYFOKWQFQZ-VYDXJSESSA-N 368.433 2.441 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1cccc(Cl)c1 5184689 IWMDJPMKBXTQEK-UHFFFAOYSA-N 371.780 2.050 0 40 FEAB O=C(COc1ccc(Br)cc1)Nc1ccc(-n2cnnn2)cc1 6287615 KHWZTQWANBMTMV-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 14014407 DPZKECZVQVSOFU-GFCCVEGCSA-N 350.362 2.458 0 40 FEAB COc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cc1OC 14183968 TVWOAYXXYAQJPD-UHFFFAOYSA-N 370.405 2.136 0 40 FEAB CCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1OCC 5451454 UGVSJCPQHZGMBV-UHFFFAOYSA-N 354.410 2.499 0 40 FEAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CC(=O)Nc2ccccc21 9336345 DQLBSGOUFCDBRX-GFCCVEGCSA-N 371.466 2.470 0 40 FEAB COCCCn1c(S[C@@H](C)C(N)=O)nc2cc(Cl)ccc2c1=O 5785887 BNYWPFAJUGUUMU-VIFPVBQESA-N 355.847 2.052 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CCCc2ccccc21 6880170 YJNJWQUPXHPZIN-UHFFFAOYSA-N 362.426 2.474 0 40 FEAB O=C(NCCc1ccc(OC(F)F)cc1)c1n[nH]c(=O)c2ccccc12 15098326 KNMZPDGJYWQNHL-UHFFFAOYSA-N 359.332 2.497 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 7917378 OULDFQCEVDLAKZ-NSHDSACASA-N 352.387 2.140 0 40 FEAB CCC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 8165985 DARWKJAHSUYLAC-UHFFFAOYSA-N 361.895 2.307 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CC1 8502110 VPINOVUMVSJBGC-RNODOKPDSA-N 355.438 2.075 0 40 FEAB CONC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 8746691 NYXAIZRWFOGXCB-UHFFFAOYSA-N 350.396 2.096 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](CO)c3ccccc3)CC2=O)cc1 75104858 PMHWRROBQQGFEO-ZWKOTPCHSA-N 352.434 2.240 0 40 FEAB CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O 60298272 KOGXVYVSMWRGLG-QGZVFWFLSA-N 365.861 2.384 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1F 409126669 MJRLQQTUOXFUFD-LBPRGKRZSA-N 374.343 2.500 0 40 FEAB Cc1c(C(=O)Nc2cn(Cc3ccccc3)nn2)nnn1-c1ccccc1 549731997 WAEJBWPDQRGDON-UHFFFAOYSA-N 359.393 2.468 0 40 FEAB Cc1nc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2C)sc1C 49032488 GTYUJAVCINBIQU-UHFFFAOYSA-N 371.422 2.308 0 40 FEAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 183307437 CXLKBFCRBWGWQA-NPUYYSGSSA-N 356.513 2.470 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@H]2CCSC2)c1 225724198 VHKOYGCBDIXJQK-LBPRGKRZSA-N 356.407 2.388 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1 224898179 QGPLZMPAUPQEBA-UHFFFAOYSA-N 362.407 2.241 0 40 FEAB C[C@@H]1c2ncc(COCC3CCOCC3)n2CCN1Cc1cnn(C)c1 96206022 OOOZFJJDJTZOAL-OAHLLOKOSA-N 359.474 2.137 0 40 FEAB COC[C@H]1CC2(CCN(c3ncccn3)CC2)CN1Cc1nccs1 96240338 IFANSIZZQNAHCL-OAHLLOKOSA-N 359.499 2.441 0 40 FEAB Cn1ccc(CCC(=O)N2CCOC[C@H]2c2nc(-c3ccccc3)no2)n1 585085809 RZJRUIVYOOOCQX-INIZCTEOSA-N 367.409 2.003 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1F 96229761 JINTVKCDXXCNGQ-KRWDZBQOSA-N 354.447 2.300 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3ccoc3)C2)C1 96047127 DMUIFJWHFHFPQK-FQEVSTJZSA-N 353.422 2.372 0 40 FEAB CC(C)C(=O)NCC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248160816 LDPBFAZFDPTTOQ-INIZCTEOSA-N 370.453 2.331 0 40 FEAB Cc1cc(C(=O)N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)cc(C)n1 247856462 CVBJXRRJIIQZLP-MRXNPFEDSA-N 367.453 2.222 0 40 FEAB COC[C@@H]1CN(Cc2ccccn2)CC12CCN(C(=O)c1cocn1)CC2 247839821 KKVJWXHENSMRMZ-INIZCTEOSA-N 370.453 2.070 0 40 FEAB Cn1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 257327248 XAQSXRCNSNGVFA-ICSRJNTNSA-N 355.438 2.401 0 40 FEAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1 257322162 WEUXXXHYEYGYOY-UHFFFAOYSA-N 356.401 2.272 0 40 FEAB C[C@@H]1CN(c2ccnc(C(=O)N[C@H](C(=O)O)c3ccccc3)c2)C[C@@H](C)O1 263464210 WHMSZPHZGGBLEX-LBTNJELSSA-N 369.421 2.251 0 40 FEAB Cc1nc(-c2ccc(C)c(NC(=O)NC3(CCO)CCOCC3)c2)n[nH]1 676444339 DIYBIFMBSNBNIW-UHFFFAOYSA-N 359.430 2.142 0 40 FEAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1cncc2ncnn12 679931968 PGURISCCPOLPTA-SJPCQFCGSA-N 362.437 2.396 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)[C@H]2C1 585106324 UUTXPZXALWUEDY-CABCVRRESA-N 361.511 2.201 0 40 FEAB Cn1nccc1C(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 585108389 DJMVGJWCQSHNNP-UYAOXDASSA-N 370.453 2.043 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccco3)nn12)NCc1ccco1 5187625 MQGDPGXGGPHNJU-UHFFFAOYSA-N 355.379 2.386 0 40 FEAB O=C(c1ccc(Cn2cccn2)cc1)N1CCN(C(=O)c2ccco2)CC1 11332689 RQWVSIGMFIUVJV-UHFFFAOYSA-N 364.405 2.123 0 40 FEAB COc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)cc1CO 12113861 OQNNAIMNOGCEJF-OAHLLOKOSA-N 354.410 2.488 0 40 FEAB O=C1NCC2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)Oc2ccccc21 12126517 NGBJGNHFODJQAL-UHFFFAOYSA-N 366.421 2.084 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)Cc3ccccn3)c2C2CC2)on1 12223071 UPRPKXCYAVQTDS-UHFFFAOYSA-N 351.410 2.478 0 40 FEAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346401 AFIDILLIPWIVSX-KRWDZBQOSA-N 353.378 2.329 0 40 FEAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 13625220 GWTWKJGMTNILML-HZSPNIEDSA-N 371.359 2.313 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC=C(c2ccccc2)CC1 14227287 OPYVJBMHOQILFM-UHFFFAOYSA-N 372.446 2.272 0 40 FEAB Cc1ccnn1CCC(=O)N1CCc2nc([C@H]3CCCCN3C)ncc2C1 19238484 YMGCXWZTRCHGNY-GOSISDBHSA-N 368.485 2.113 0 40 FEAB CN(C)Cc1cc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nn1C 19709024 UASZQQNVRHTBLV-INIZCTEOSA-N 362.518 2.273 0 40 FEAB COc1ccc(-c2ccnc3c(C(=O)NCC4(C)COC4)cnn23)cc1 19719033 AWKJBCRBUUVNLH-UHFFFAOYSA-N 352.394 2.171 0 40 FEAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccn1 19937588 LTAHXXUXRVBMNE-UHFFFAOYSA-N 354.797 2.344 0 40 FEAB Cc1ccc(C)c(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 5870923 YJYOVLOZRNBZNT-UHFFFAOYSA-N 350.374 2.477 0 40 FEAB CCCN1C(=O)C(=O)N(CN2CCC[C@H]2c2ccc(OCC)cc2)C1=O 23642230 XANKOWIUHXVUNG-INIZCTEOSA-N 359.426 2.381 0 40 FEAB COc1cnc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)nc1 1565546981 CURNLHJAPLWONL-UHFFFAOYSA-N 354.410 2.005 0 40 FEAB Cc1csc(C(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1 1565522933 BYNJGANCHYVMPP-UHFFFAOYSA-N 368.466 2.332 0 40 FEAB CC(C)CNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007603 UXYBTCQNAGMACK-UHFFFAOYSA-N 355.438 2.219 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)c2c(F)cccc2F)cc1 9570469 VPELDFGNWFRDMS-UHFFFAOYSA-N 359.336 2.269 0 40 FEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(=O)NC)cc1 10253181 OAGRNBLJGDNYNF-UHFFFAOYSA-N 366.464 2.083 0 40 FEAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)CCCC3)cc1 10219268 DDUMQDZOVDLGST-UHFFFAOYSA-N 366.464 2.443 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)cc1OC 11693730 IQLUACWJBGOYJR-UHFFFAOYSA-N 371.437 2.067 0 40 FEAB Cc1nc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)cs1 2055731800 XNYCGHXEFHIJOO-HNNXBMFYSA-N 363.483 2.228 0 40 FEAB Cc1cccc(NC(=O)C[C@@H](NCCNCc2ccccc2)C(=O)O)c1 22823015 SVUMEIXLTPMYHZ-GOSISDBHSA-N 355.438 2.156 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2nccs2)C1 208033453 JVPSQJNWWSYKPZ-UHFFFAOYSA-N 360.844 2.257 0 40 FEAB O=C(c1cccs1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11612477 YNRFOBZHHGMUIC-UHFFFAOYSA-N 369.446 2.475 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 40121585 CHRQMGKSTHJZHH-WMLDXEAASA-N 372.469 2.398 0 40 FEAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 102144283 FBCMKFWBKKWECU-XJIUQZFPSA-N 350.484 2.491 0 40 FEAB CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 32770856 PJLNRQSBRCAJIV-INIZCTEOSA-N 356.451 2.217 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc(-c2nnco2)cc1 102436697 ZKHFHYYLAFURLU-HUUCEWRRSA-N 369.377 2.207 0 40 FEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-c2nncn2C)cc1 32833702 OSQMCUWYGVQPCD-UHFFFAOYSA-N 372.406 2.290 0 40 FEAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@H](C)O1 21870018 LQHXOQCTDUYPBU-ISEXYEMMSA-N 352.500 2.465 0 40 FEAB CCCc1nnc(S)n1CC(=O)NCc1ccc(N2CCCCC2)nc1 53508427 SIAAMSPTYAVUDJ-UHFFFAOYSA-N 374.514 2.221 0 40 FEAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2)s1)NC1CC1 1371481 ANYRJVUYHIRRBG-UHFFFAOYSA-N 352.416 2.300 0 40 FEAB CN(C)CCn1cc(C(=O)N[C@@H]2CCCn3ncnc32)c2ccccc21 79053921 FYSRITLJKLPPDD-MRXNPFEDSA-N 352.442 2.059 0 40 FEAB O=C(C1CCN(c2ncccn2)CC1)N1CCO[C@@H](c2ccccc2)C1 79486181 CKYKHDHTFLXBSR-GOSISDBHSA-N 352.438 2.293 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCCc3ccc(O)cc3)ccc2N1S(C)(=O)=O 54632409 JURKRBSCPQDWNP-CYBMUJFWSA-N 374.462 2.075 0 40 FEAB COc1ccc(Br)c(C(=O)N[C@@]2(C(=O)O)CCSC2)c1 43508497 WHRIFPBNJVSKMM-ZDUSSCGKSA-N 360.229 2.148 0 40 FEAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 107333558 LKUXCSJDFMFEKQ-SGMGOOAPSA-N 351.424 2.089 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(-n3ccnc3)c(F)c2)s1 58209031 UXGMVSGGJAFUNM-UHFFFAOYSA-N 372.425 2.428 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccco1 58245363 BXQJDQQSWKMHSQ-INIZCTEOSA-N 371.437 2.300 0 40 FEAB CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)c1 58419426 FDYFKGZJUUYIPM-HNNXBMFYSA-N 365.499 2.024 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@@H]3[C@H]6[C@]51C)C2 104289795 KFIOKJOORAWZOI-BYSGSJDHSA-N 353.466 2.436 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCCO2)CC1 36383873 HDWZTXHAYPIKIH-HNNXBMFYSA-N 358.891 2.215 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Cl)cc3Cl)cnc21 11327634 SARFYOBIVBFZJL-UHFFFAOYSA-N 366.208 2.466 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)OCCOc3ccccc3)ccc21 21490075 XVZLGUISMOXZIE-UHFFFAOYSA-N 361.419 2.245 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C)C(C)C 2601586 WDMFVKPDPNGPPO-CKUJCDMFSA-N 354.491 2.267 0 40 FEAB Cc1ccc(C)c(OCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)c1 27984680 BJBUGGXHMQZGOB-CQSZACIVSA-N 363.435 2.392 0 40 FEAB COCCNc1nnc(SCC(=O)c2ccc3c(c2)OCO3)s1 3428894 HROSWOVLLCPIGP-UHFFFAOYSA-N 353.425 2.300 0 40 FEAB CCOc1ccc(OC[C@H](O)CN2C(=O)CCN([C@@H](C)CC)C2=O)cc1 12943789 CDYWYMHZDKKUNG-LSDHHAIUSA-N 364.442 2.278 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393142 VOFOBMJMGYIYJB-CQSZACIVSA-N 354.472 2.073 0 40 FEAB O=C(CNC(=O)Cc1ccccc1)NCc1ccccc1CN1CCCC1 9254928 HSTWUFAPPKTOAK-UHFFFAOYSA-N 365.477 2.258 0 40 FEAB Cc1c(CC(=O)NCCc2ccncc2)c(=O)oc2c(C)c(O)ccc12 96125519 GMAHLAOZWXTFNZ-UHFFFAOYSA-N 352.390 2.412 0 40 FEAB Cc1cccc(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 5215440 NTBZIQFPASEZLD-OAHLLOKOSA-N 363.435 2.183 0 40 FEAB COC(=O)c1c(CC(=O)NCc2ccc(OC)cc2)[nH]c(C(C)=O)c1C 14198755 QIMICUNQKVUIKV-UHFFFAOYSA-N 358.394 2.180 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)Nc1ccccc1Cl 14227176 PEWLRPYVKDAJKU-NSHDSACASA-N 363.801 2.148 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)N1CCCC1 14239203 MDODVZHGIIQBBH-XJKSGUPXSA-N 364.417 2.134 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCn2c(C)csc2=O)c1C 6651301 ZSKMYGAYZRONFU-UHFFFAOYSA-N 364.423 2.182 0 40 FEAB COc1cccc(CNC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 6850583 CAFXMOMXYOYKAV-UHFFFAOYSA-N 363.373 2.468 0 40 FEAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(=O)n(C)n2)n1 15637523 UGTOJLVXECJFAD-UHFFFAOYSA-N 356.407 2.473 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)N(Cc1cnn(-c3ccccc3)c1)CCC2 81015046 WQMMZMVURINEJS-UHFFFAOYSA-N 368.462 2.473 0 40 FEAB CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 7803995 FDXFTJKIHVOBSW-KFWWJZLASA-N 368.499 2.259 0 40 FEAB COCCNS(=O)(=O)c1c[nH]c(C(=O)Oc2cc(C)cc(C)c2C)c1 84074978 HDFYAQSGSVEPEV-UHFFFAOYSA-N 366.439 2.084 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@H]2CC23CCOCC3)C1 75093989 BEGIAGPAQKIKDO-HZPDHXFCSA-N 361.417 2.365 0 40 FEAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCCN(c2nccs2)CC1 89893841 AAQXPYRUSFPHGT-AWEZNQCLSA-N 362.503 2.460 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 20024440 JTZZJJAPQMCBPK-UHFFFAOYSA-N 364.442 2.325 0 40 FEAB CN(C)CCN(C)CC[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CC(=O)O 20462923 MRLFRHFSIOSYRC-IRXDYDNUSA-N 369.550 2.246 0 40 FEAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1C 408622937 OFFPLYQHEWIQES-HNNXBMFYSA-N 368.499 2.319 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 36390886 VWIGJZUTGIGOEB-UHFFFAOYSA-N 373.434 2.203 0 40 FEAB O=C(C1CC(F)(F)C1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 306142150 WRMPUXDXWFXOPF-QEJZJMRPSA-N 352.381 2.369 0 40 FEAB COc1c[nH]c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1=O 524733012 LFLLHEDHALYQFE-UHFFFAOYSA-N 352.394 2.280 0 40 FEAB COc1ccc(NC(=O)COc2c(OC)cc(C(=O)O)cc2OC)cc1 217733215 HBVWWBGOVLRCHK-UHFFFAOYSA-N 361.350 2.428 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832608 KLJJQGYKOGDFSS-AWEZNQCLSA-N 360.863 2.126 0 40 FEAB Cc1cnn([C@@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)C2)c1 558620500 OAECCGRUIZBJQT-QGZVFWFLSA-N 374.416 2.396 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35360195 CWQLKWUYLMVUJI-CCKFTAQKSA-N 369.465 2.141 0 40 FEAB CCOC(=O)Nc1cccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1 32828501 LVYRPGSSDHNXAU-SOUVJXGZSA-N 363.458 2.483 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980388 MZDYOCIGVIIIAU-OAHLLOKOSA-N 368.380 2.093 0 40 FEAB O=C1CCCN1CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2SCCN12 40266194 OXIKVWCCSQRTRI-UHFFFAOYSA-N 374.310 2.247 0 40 FEAB C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 223857920 SLKNANGDDMNZAN-GFCCVEGCSA-N 371.455 2.410 0 40 FEAB COc1ccc2cc(C(=O)N3CC[C@H](Oc4cncc(OC)n4)C3)[nH]c2c1 225394703 KWROTTSXKFFBCZ-AWEZNQCLSA-N 368.393 2.269 0 40 FEAB COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1C 191444602 WIWPYEROGVRIAT-NXEZZACHSA-N 370.247 2.049 0 40 FEAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCc2ccccc2C1 96231355 VHLUXJOFIIOTOX-KRWDZBQOSA-N 367.405 2.065 0 40 FEAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@H]12 96056306 ISHKPDAYAFMDMY-YTQUADARSA-N 355.438 2.284 0 40 FEAB Cc1noc(C)c1C(=O)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96220646 PRIYCEUFCMNVBC-BEFAXECRSA-N 357.410 2.387 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCc2ncnc(N3CCCC3)c2CC1 96255466 SPEPEAUGLYKBGR-UHFFFAOYSA-N 354.429 2.386 0 40 FEAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1cccc(F)c1)C2)N1CCCC1 247741057 NZTRGWLRLGSMHJ-GOSISDBHSA-N 362.445 2.198 0 40 FEAB Oc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c1 248005632 STBQQPLFGCXRNQ-KNBMTAEXSA-N 366.465 2.405 0 40 FEAB Cc1ccccc1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257339577 ZCJGDCVUSKWNJX-OAQYLSRUSA-N 353.466 2.422 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cncnc3)C2)n1 257320758 VYMDTEWDQINGNA-CQSZACIVSA-N 364.409 2.243 0 40 FEAB N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(N3CCCC3=O)cc2)C1 622761375 DOSLGHFKZHIPNI-TZMCWYRMSA-N 355.360 2.308 0 40 FEAB O=C(O)c1cnn(C2CCN(C(=O)[C@H]3[C@H]4c5ccccc5C[C@H]43)CC2)c1 630192331 NHYTWWKLGZMUED-FGTMMUONSA-N 351.406 2.331 0 40 FEAB O=C(Nc1ccc(-c2ccon2)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1120931935 LXQFSSRZAXQRKC-UAGQMJEPSA-N 367.405 2.354 0 40 FEAB CC(C)[C@@H]1N(C(=O)NCc2ccccc2S(N)(=O)=O)CC12CC=CC2 645504228 HGUJXAFLUJZXAO-INIZCTEOSA-N 363.483 2.220 0 40 FEAB Cc1c(C(=O)O)sc2[nH]cnc(=NC3CCN(CC(F)F)CC3)c12 649387483 HZPGVNDGCZDCRY-UHFFFAOYSA-N 356.398 2.261 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 599835383 DAUKPUYUFKUUSC-ZBFHGGJFSA-N 370.902 2.470 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnn1[C@@H]1CCNC1 662545030 KTTDNTWCFJGMMH-VXGBXAGGSA-N 359.396 2.172 0 40 FEAB COCn1nc(C)c(S(=O)(=O)Nc2cc(C)cc(F)c2C(=O)O)c1C 663267373 RBOQOZVBLSTETG-UHFFFAOYSA-N 371.390 2.050 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C(C)C 683944847 APYPCNRZAZLHNX-UHFFFAOYSA-N 366.483 2.122 0 40 FEAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575422332 BGGAGSSZCMWSTB-HUUCEWRRSA-N 359.513 2.280 0 40 FEAB O=C(NCc1ccc(O)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 43484976 KOTPUTCUQKASRI-SFHVURJKSA-N 374.462 2.252 0 40 FEAB COc1nccnc1N(C)CC1CCN(C(=O)C2CC(F)(F)C2)CC1 1776008728 OAHSGDANFPUZAV-UHFFFAOYSA-N 354.401 2.205 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c1 56088103 MPXOOOBMRZGFRO-UHFFFAOYSA-N 356.451 2.422 0 40 FEAB C[C@@]1(C2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)NC(=O)NC1=O 673941075 CXQNCKUOLUTREQ-SFHVURJKSA-N 374.828 2.272 0 40 FEAB Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2Br)no1 95465328 BITUUWPTVNTJIN-UHFFFAOYSA-N 364.196 2.100 0 40 FEAB O=C(c1cocn1)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615129311 LVYAXMSEPMIRKQ-LJQANCHMSA-N 373.384 2.242 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 11362523 PNLCKBFNMQCIOE-UHFFFAOYSA-N 370.228 2.468 0 40 FEAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)N3CCCC3)C2)on1 12118370 RBCALXXSVZGVLR-HNNXBMFYSA-N 355.442 2.242 0 40 FEAB CCOc1ccc2c(c1)cc(CN1CCSCC1)c1nn(C)c(=O)n12 12188756 IWVQOAHBYJQIES-UHFFFAOYSA-N 358.467 2.134 0 40 FEAB CCN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 14093271 FVXYLHBIPIGMBK-UHFFFAOYSA-N 354.520 2.031 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4ccc(C)s4)C3)ncc2C1 19216858 CUCKHGOSXLNIKP-AWEZNQCLSA-N 370.478 2.381 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)cn1 19239074 AUOOSWGCQUNQQB-UHFFFAOYSA-N 351.385 2.233 0 40 FEAB Nc1cc2ccccc2nc1C1CCN(C(=O)CCN2CCOCC2)CC1 19376231 HNFHWZDQQCOUIQ-UHFFFAOYSA-N 368.481 2.245 0 40 FEAB COc1ccccc1OCC(=O)N1CCCC[C@H]1c1ccnc2ncnn12 19571411 ANNRVCUSRAGDLV-AWEZNQCLSA-N 367.409 2.266 0 40 FEAB COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccccc1 19592516 APQXFKDCXQUFHC-ROUUACIJSA-N 359.447 2.134 0 40 FEAB Cc1nonc1NC(=O)CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 19654526 JTNZTCNVYPQFJA-ZDUSSCGKSA-N 354.414 2.148 0 40 FEAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc(-n2ccnc2)cc1 19657993 REOYDLOKTGHXRQ-SFHVURJKSA-N 350.426 2.172 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2C)CC3)C1 19709481 ZUOHMHIISLYWNH-IBGZPJMESA-N 367.497 2.371 0 40 FEAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(C)=O)C3)nc2C)cc1 19766135 VRPLRAZFDWPYQD-AWEZNQCLSA-N 354.410 2.382 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 169687008 VIYGZWZQNVZGJZ-OXIQGZBJSA-N 373.714 2.164 0 40 FEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1 5266638 WLRHWEQPQZOMRN-UHFFFAOYSA-N 370.434 2.022 0 40 FEAB COc1cc(OC)nc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1889114200 XXPXYBRKNITIMW-UHFFFAOYSA-N 369.347 2.234 0 40 FEAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1Cl 4263349 SIFCFWRDCDISBQ-LBPRGKRZSA-N 361.785 2.111 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373953 HADZEPDPQVWEOE-ZDUSSCGKSA-N 357.341 2.481 0 40 FEAB CCOc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 4941262 MOWMYDNLFOCTDM-HNNXBMFYSA-N 355.456 2.439 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1F 8896323 VWZFQZVLBKDXEW-CQSZACIVSA-N 358.460 2.477 0 40 FEAB COc1ccc(CC(=O)NCc2nnnn2C2CCCCC2)cc1OC 10594253 PXEOPWYAJDIWLC-UHFFFAOYSA-N 359.430 2.054 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N(C)C1CCCCC1 40061721 TXYYHWRTCDAOET-OAHLLOKOSA-N 354.472 2.268 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099576 FYZWAGMEDSCFNS-OKILXGFUSA-N 370.405 2.143 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(-c2nnnn2C)c1 30684220 KBISIJRDDCLQFI-UHFFFAOYSA-N 360.377 2.488 0 40 FEAB COc1c(C)cnc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C 50448923 JVIPDCCIWDTMGS-UHFFFAOYSA-N 371.437 2.469 0 40 FEAB O=C1N(CN2CCOCC2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 20533190 MOCXQFVQVUKMHM-NRFANRHFSA-N 363.417 2.040 0 40 FEAB CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1=O 101888367 DITVAIKMFBTXTR-GWCFXTLKSA-N 367.243 2.205 0 40 FEAB O=C(NCCCN1CCOCC1)c1ccnc(OCc2ccccc2)c1 52979391 OWJZCIZFCVVHTP-UHFFFAOYSA-N 355.438 2.113 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)NCCN1CCCc2ccccc21 53188982 GPYNRCFDHIEVLK-UHFFFAOYSA-N 368.462 2.027 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1(O)CCCC1 103203084 NCFHVFSQODFZDZ-CYBMUJFWSA-N 353.260 2.449 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 47700042 BNTLCJLXSXBYDD-MRXNPFEDSA-N 366.527 2.327 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)c(Cl)c1 35334262 LAUKINANLRXBHN-MRXNPFEDSA-N 361.804 2.330 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc([C@@H](C)O)cc1)C2=O 95373537 FLYYMVMKEGIGMX-CQSZACIVSA-N 366.417 2.351 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnc(NCc3ccco3)s2)CCO1 58192219 GWNYCGDOJSUJFQ-LLVKDONJSA-N 368.484 2.473 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)no1 58216633 QMDAQFNSOBWWJU-ZDUSSCGKSA-N 352.435 2.301 0 40 FEAB CN1CCN([C@H]2CCCCN(CC(=O)N(C3CCCC3)C3CC3)C2)CC1 95405707 WRWJJKZWBICWJV-FQEVSTJZSA-N 362.562 2.022 0 40 FEAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@H](C)C3)nc2c1 58305947 GUBJWXWPJFIAJX-BRWVUGGUSA-N 356.470 2.357 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccccc1-n1cccn1 58316658 NDJBQJJCDGFLNA-UHFFFAOYSA-N 361.467 2.236 0 40 FEAB COc1cc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC 24032592 ABQCPRPVVYHSAS-UHFFFAOYSA-N 370.409 2.484 0 40 FEAB Cn1cnc2c1c(=O)n(CCCSC/C=C/c1ccccc1)c(=O)n2C 36395637 OVDQVFIQFPGNQS-UXBLZVDNSA-N 370.478 2.270 0 40 FEAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(CC(N)=O)C(C)C 3336646 RNKFJJTWTTYLHQ-LRDDRELGSA-N 367.877 2.207 0 40 FEAB COC(=O)c1ccc(NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)cc1 48354427 XJCQKETWPFZJAP-QGZVFWFLSA-N 363.458 2.342 0 40 FEAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)CN2CSCC2=O)cc1 48375069 WAAUPIRDGDKHSV-CQSZACIVSA-N 350.484 2.444 0 40 FEAB CCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)nc3ncnn23)s1 36619072 AHWPYKDFWMOQNK-UHFFFAOYSA-N 359.411 2.486 0 40 FEAB CCOc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1OC 48331980 HFBIXBMABQAYNS-UHFFFAOYSA-N 358.442 2.384 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccn(C)n1 22467144 HTBXFVAFHAYYAH-UHFFFAOYSA-N 367.335 2.065 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)CCc3c(C)nn(C)c3C)cn2)n1 46311945 YCWHTQJCMRVRMV-UHFFFAOYSA-N 366.469 2.483 0 40 FEAB CN(C)c1ncccc1C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 46452499 VVKGXOYBKIQDPS-UHFFFAOYSA-N 356.378 2.349 0 40 FEAB CC(=O)C(C)(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 62580472 YHYTZDQDGPZOMQ-UHFFFAOYSA-N 371.430 2.137 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCOc2ccccc2)c1 12919190 RBKJCDOYULLAFM-UHFFFAOYSA-N 362.451 2.102 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CCCC1 71284454 HZZJTPBHFDOVEV-UHFFFAOYSA-N 364.877 2.230 0 40 FEAB COc1cccc(NC(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002653 WSNWGTJDQFUQPF-INIZCTEOSA-N 371.441 2.179 0 40 FEAB COc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(C)(=O)=O 4193208 BVQFVYWMLGHHBC-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CCc1ccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)s1 14152888 YDFHHSSLOXNKBT-UHFFFAOYSA-N 358.341 2.473 0 40 FEAB O=C(COC(=O)c1cccs1)Nc1ccc(CN2CCOCC2)cc1 14161517 YXLRYVYCQOUESF-UHFFFAOYSA-N 360.435 2.376 0 40 FEAB CCN(Cn1nc(-c2ccco2)n(CC)c1=S)[C@H]1CCS(=O)(=O)C1 14121757 FTTFENORFIUKJE-LBPRGKRZSA-N 370.500 2.160 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4592819 ANFAOSQMAXJMSD-FTUNRGFVSA-N 369.417 2.060 0 40 FEAB C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5626002 RKXCVQDBGBJXPX-DTQAZKPQSA-N 350.378 2.037 0 40 FEAB COCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6797033 JBUCWJMXGSIQEP-UHFFFAOYSA-N 357.435 2.346 0 40 FEAB COC(=O)c1cc(CNC[C@@H](O)COc2ccccc2C)ccc1OC 7059012 FOZYIUKTNZMRLV-MRXNPFEDSA-N 359.422 2.320 0 40 FEAB Cn1c(CCC(=O)OCC(=O)c2ccccc2)nc2ccccc2c1=O 7268941 WAIVHGDLQJBVEQ-UHFFFAOYSA-N 350.374 2.292 0 40 FEAB C[C@]1(NC(=O)COc2ccccc2Cc2ccccc2)CCS(=O)(=O)C1 7473344 DSXNFDBMAHXPQZ-FQEVSTJZSA-N 373.474 2.350 0 40 FEAB COc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1O 9512688 KCMXQGTVIGTHTL-UHFFFAOYSA-N 354.362 2.194 0 40 FEAB Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(F)c1 16261090 OTRMJWMSIUCHMH-UHFFFAOYSA-N 350.415 2.478 0 40 FEAB CN(Cc1nc(-c2cccnc2)no1)C(=O)CN1CCc2sccc2C1 83867774 PEBLMZGFVYYZGH-UHFFFAOYSA-N 369.450 2.210 0 40 FEAB Cc1ccn2c(=O)cc(CN3C(=O)NC4(CCC(C)CC4)C3=O)nc2c1 9603697 VAZZTGLYMPIKIA-UHFFFAOYSA-N 354.410 2.004 0 40 FEAB CC[C@H](C)n1ncc2c(C(=O)N3CC[C@@](F)(C(=O)OC)C3)cc(C)nc21 74502224 BDQBWNFJJGHGPQ-SGTLLEGYSA-N 362.405 2.438 0 40 FEAB CC[C@@H](C)n1ncc2c(C(=O)N3CC[C@](F)(C(=O)OC)C3)cc(C)nc21 74502210 BDQBWNFJJGHGPQ-KZULUSFZSA-N 362.405 2.438 0 40 FEAB Cc1ccc(C(=O)N(C)CC[C@@H](C)O)cc1S(=O)(=O)N1CCCCC1 75092855 WRIVUUCBFOKVBI-OAHLLOKOSA-N 368.499 2.013 0 40 FEAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306142490 XAPOHTHTIMCNER-UHFFFAOYSA-N 357.458 2.238 0 40 FEAB Cc1ccc(OCCNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 22577480 WYKHQSULVGVQNT-UHFFFAOYSA-N 366.417 2.485 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1F 409126668 MJRLQQTUOXFUFD-GFCCVEGCSA-N 374.343 2.500 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc2cc(O)ncc12 1517648937 UALZGSSOAVXSPB-ZDUSSCGKSA-N 352.369 2.483 0 40 FEAB CCC(=O)N1CC[C@@H](Nc2ccc3nnc(-c4cccc(F)c4)n3n2)C1 527934712 WZOCWNPYPWHYOI-CQSZACIVSA-N 354.389 2.353 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980386 YFIXVDGEUJCNQS-OAHLLOKOSA-N 368.380 2.093 0 40 FEAB C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccc(F)cc1 72324999 HQKRZUMQYRUHPL-AWEZNQCLSA-N 357.429 2.399 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1cnn(C)c1 72405529 MWTNPZRVWFBMGD-UHFFFAOYSA-N 352.394 2.108 0 40 FEAB CCOC(=O)c1nn(CCO)c2c1CN(CCCc1ccccc1)CC2 14539754 QMJNKMWHVICWNE-UHFFFAOYSA-N 357.454 2.043 0 40 FEAB Cc1ccc2c(c1)C1(CCN([C@@H]3CCOC3)CC1)CN2C(=O)CN(C)C 96160994 JMYCTKOCGCXLSA-QGZVFWFLSA-N 357.498 2.026 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 96051493 HMPYWRPAPBBOLQ-QGZVFWFLSA-N 355.442 2.256 0 40 FEAB O=C(c1cccs1)N1CCOC2(CCN(C3CCOCC3)CC2)C1 96158936 YLWUVVCQYVUBKP-UHFFFAOYSA-N 350.484 2.234 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 583616843 XEFHEIMQDBSVAU-SECBINFHSA-N 351.336 2.489 0 40 FEAB C[C@H](Sc1cccc(C(N)=O)c1)C(=O)NC(=O)NCc1ccccc1 581636355 VAHGUOHGKVBBEJ-LBPRGKRZSA-N 357.435 2.292 0 40 FEAB C[C@@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1cnn(C)c1 96111104 LFEGJEKPWZWSKX-OAHLLOKOSA-N 352.442 2.305 0 40 FEAB Cc1csc(=O)n1CCCC(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 26585151 KNPUQURDFBHHIX-GXTWGEPZSA-N 354.472 2.237 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1coc2c(C)c(C)ccc12 643953501 TXURZHXJIBRAFQ-HXUWFJFHSA-N 358.438 2.346 0 40 FEAB O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 650216652 JXHABGNKZOQTIT-LJQANCHMSA-N 350.418 2.298 0 40 FEAB O=C(Cc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1)NC1CC1 96025687 ARVDIOQGDCVRFD-UHFFFAOYSA-N 374.462 2.328 0 40 FEAB O=C(OC1CCOCC1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 585395922 SGCALERUDQIZGA-INIZCTEOSA-N 353.440 2.164 0 40 FEAB O=C(CC1(O)CCCCC1)N1CC[C@](O)(COc2cccc(F)c2)C1 585278001 ZLZWFUUVCQFMQL-LJQANCHMSA-N 351.418 2.253 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1 824159285 KOGGGTKVUASNQV-UHFFFAOYSA-N 367.471 2.114 0 40 FEAB Cc1ncnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1C 1776008858 PMOICMRVPXKQSO-UHFFFAOYSA-N 351.332 2.360 0 40 FEAB Clc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1 1776009361 XFLXVALKBHBAJB-UHFFFAOYSA-N 353.817 2.309 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccn3)ccc2N1 57013165 BLTIAZXICBVXAC-QGZVFWFLSA-N 357.435 2.492 0 40 FEAB Cc1nccnc1N1CCN(C(=O)[C@@H]2CCN(c3ccccc3F)C2)CC1 685796406 PPOMHSUBRVAWQL-MRXNPFEDSA-N 369.444 2.099 0 40 FEAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5241536 SKBNZBHAEAWQTP-GDBMZVCRSA-N 370.405 2.049 0 40 FEAB Cc1ncsc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222936 ZMRPDXYZLQVODC-UHFFFAOYSA-N 356.451 2.469 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cn1 12256057 QIVRYLRUCFPFNO-AWEZNQCLSA-N 363.421 2.087 0 40 FEAB Cc1ccsc1CN(C)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 14136926 DYSBNNKOGPWTME-UHFFFAOYSA-N 367.496 2.165 0 40 FEAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)o2)cn1 19239146 YMBQSCHABQMCIA-KGLIPLIRSA-N 357.414 2.110 0 40 FEAB COc1cccc(CCc2nnc(NC(=O)Cn3nc(C)nc3C)s2)c1 19285820 WNJKSVDGQUJCPL-UHFFFAOYSA-N 372.454 2.179 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 19348030 FNBCIOCRBZQVDU-OAHLLOKOSA-N 367.428 2.088 0 40 FEAB Cc1ccc(COc2ccc(/C=c3\sc4n(c3=O)CCN=4)cc2)cc1 5553007 CGHMDXMGXFRWMV-PDGQHHTCSA-N 350.443 2.259 0 40 FEAB COC(=O)[C@@H]1CCc2nnc(-c3ccc(OC)c(Br)c3)n2C1 601044224 KDDBOFZSSDUUTE-SNVBAGLBSA-N 366.215 2.452 0 40 FEAB CN(CC(=O)O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1 516181657 PRDHBCVRYAQQBF-UHFFFAOYSA-N 366.408 2.394 0 40 FEAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 225504783 IJYBPJVBSYLLOT-CYBMUJFWSA-N 357.414 2.092 0 40 FEAB COC[C@]1(C)CN([C@@H](C(=O)O)c2cccc(Br)c2)CCO1 629378686 IAKGYKRUJHPCLG-HIFRSBDPSA-N 358.232 2.312 0 40 FEAB O=C(NCc1nnc(-c2cnccn2)o1)c1cccc(N2CCCCC2)c1 19294390 CQWLBSOCCIUODB-UHFFFAOYSA-N 364.409 2.447 0 40 FEAB Cc1nnsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 252523097 BWPCVMADXIHENX-UHFFFAOYSA-N 372.376 2.054 0 40 FEAB COc1cc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)ncn1 1889151726 JICHKVFVUWDADZ-UHFFFAOYSA-N 351.410 2.112 0 40 FEAB COc1ccc(-c2nn(CN3CCN(C)CC3)c(=S)o2)cc1OC 22038490 YJVKWBSSFBWTEM-UHFFFAOYSA-N 350.444 2.095 0 40 FEAB O=C1CO[C@]2(CCCN(C[C@H]3CCOC3)CC2)CN1c1cccc(F)c1 2037989059 SVKNUYIHZADHSV-UZLBHIALSA-N 362.445 2.450 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 1565542615 RJNYQWFNVCZPJC-SIKLNZKXSA-N 364.445 2.428 0 40 FEAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)COc2ccccc2)o1 4585651 WCVZVMSVOUSRIW-UHFFFAOYSA-N 373.390 2.158 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1 9570637 NTEIDPHUDQGZHQ-UHFFFAOYSA-N 361.361 2.007 0 40 FEAB COc1ccc2nc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)sc2c1 13792223 GYLHDKKLQMMNED-LBPRGKRZSA-N 369.468 2.058 0 40 FEAB O=C(NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 13854744 QDZJSEXHIACCDQ-UHFFFAOYSA-N 369.396 2.334 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cc1C 2055732614 UPFXMFPEHPZGIM-QGZVFWFLSA-N 369.465 2.411 0 40 FEAB c1coc(-c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)nn2)c1 1775979006 XMGSHNSCZHUJIT-UHFFFAOYSA-N 352.398 2.319 0 40 FEAB CN1c2cc(F)c(NC(=O)/C=C/c3ccco3)cc2N(C)S1(=O)=O 575611563 GCIJCIBPPPLGOM-AATRIKPKSA-N 351.359 2.201 0 40 FEAB CCOC(=O)CCC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983148 WYWYBEQWRIWABJ-UHFFFAOYSA-N 362.426 2.357 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c1 40040333 WMNZPRCJMSCLBV-NSHDSACASA-N 351.346 2.436 0 40 FEAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 30661515 VLACRBFSKCIPCT-UHFFFAOYSA-N 353.422 2.056 0 40 FEAB Cc1ccc(C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)s1 50954861 ZWCCKKJEEKBHLD-UHFFFAOYSA-N 368.466 2.431 0 40 FEAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)n1 32759966 MGNYMLPHWWBFDR-HNNXBMFYSA-N 357.458 2.258 0 40 FEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 32731362 AIYLUOUMMYDEDV-ZBFHGGJFSA-N 370.405 2.258 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102323647 VSYSIDYSTAJIJK-WSMBLCCSSA-N 368.474 2.387 0 40 FEAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cccnc1N1CCCC1 32868961 BBRQWWBHKABKFH-UHFFFAOYSA-N 362.437 2.252 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32830670 UXIJEYJUZBUJTC-QGZVFWFLSA-N 363.421 2.108 0 40 FEAB CCN(Cc1cccs1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32908908 WCNKUTQDIJBDEH-UHFFFAOYSA-N 359.494 2.362 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccccc3CC)cnc21 32908280 YRRBYJAEUJCZKQ-UHFFFAOYSA-N 352.394 2.310 0 40 FEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1 32960729 AEHRWRGRUDWFQQ-LLVKDONJSA-N 370.800 2.073 0 40 FEAB O=CN1CCN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)CC1 12391912 ILIVUGQPBPLQAG-AWEZNQCLSA-N 370.840 2.321 0 40 FEAB CCOC(=O)c1c(SC)nn(-c2cc(=O)n(C)c3ccccc23)c1N 1092295 LEOHXUKWPOZBMW-UHFFFAOYSA-N 358.423 2.205 0 40 FEAB COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 79066791 UJHRNVYEFHJETL-MOPGFXCFSA-N 368.433 2.088 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1 4518485 DQCBMGOVLASWDI-UHFFFAOYSA-N 371.422 2.217 0 40 FEAB COc1cccc2sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)nc12 23805009 UMHZUZDATMYMRM-UHFFFAOYSA-N 374.422 2.108 0 40 FEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1n[nH]c2ccccc12 23958712 HYGQHSOGCCTOSQ-UHFFFAOYSA-N 350.422 2.325 0 40 FEAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)Cc2cccs2)[nH]c1=O 7422185 CKMKZLIWRUKKEY-UHFFFAOYSA-N 357.439 2.378 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccn2)s1 95369310 GURBXKBGPXMUML-UHFFFAOYSA-N 357.370 2.108 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c2ccccc21 8328002 JMNUWTIWKZYVBE-UHFFFAOYSA-N 353.378 2.248 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(OC)c1 1361736 LSWMLXNDWUHWEC-LBPRGKRZSA-N 356.378 2.456 0 40 FEAB CN1CCN(c2ncc(CN3CCN(c4ccccc4)CC3)s2)CC1 1399125 XSTWDUCEXOGDBG-UHFFFAOYSA-N 357.527 2.217 0 40 FEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nc2ccccc2s1 3222118 JQPBEBCQHCHQFE-UHFFFAOYSA-N 373.415 2.080 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)NCc1ccc(Cl)cc1 34863008 YQSLRQUEUGCFQG-UHFFFAOYSA-N 350.875 2.235 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)c(Cl)c1 25374086 WYQOOSOHGKJTFJ-OAHLLOKOSA-N 360.907 2.284 0 40 FEAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1 56835748 PHZUYHTXVURVPH-LLVKDONJSA-N 373.375 2.380 0 40 FEAB CCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768066 PINAGSQUVIKCQE-UHFFFAOYSA-N 369.400 2.125 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2C1 57621991 BORQTSGKHIJKGT-SNVBAGLBSA-N 362.455 2.071 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 58014344 ZOTRHWZVIXWDHM-QWHCGFSZSA-N 371.455 2.099 0 40 FEAB O=C(CN1CCC[C@H]1Cc1ccccc1Cl)NCC(=O)N1CCCC1 58175163 RZFVDIKUSFWJGE-INIZCTEOSA-N 363.889 2.086 0 40 FEAB COc1ccccc1OCC(=O)N(CCN1CCOCC1)c1ccccc1 58161533 PPRGCTSALQPUAR-UHFFFAOYSA-N 370.449 2.439 0 40 FEAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 12746764 KRBXWGFOXCRWSF-CXAGYDPISA-N 353.374 2.016 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2C)CCO1 58210744 YKEWEMQDAJDADI-LLVKDONJSA-N 352.485 2.273 0 40 FEAB Cc1sc2ncn(C[C@H](O)CN3CCc4ccccc4C3)c(=O)c2c1C 58160937 HRXSEVSFHJKIDZ-QGZVFWFLSA-N 369.490 2.494 0 40 FEAB C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)CCO1 95457577 WDTGOMSNTKCRCD-OLZOCXBDSA-N 353.419 2.105 0 40 FEAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 56841888 MPYDBJDJDOOJGA-YJBOKZPZSA-N 367.405 2.153 0 40 FEAB CCCc1nnc(S)n1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 29837484 ALJVQKKVCSTCHA-AWEZNQCLSA-N 365.478 2.078 0 40 FEAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N1CCOCC1 12977788 DESANMNRRIKFPV-UHFFFAOYSA-N 373.478 2.162 0 40 FEAB Cc1nn(C)c2c1[C@@H](c1cccc(F)c1)[C@@H](NC(=O)c1ccco1)C(=O)N2 12982017 LTDKOWUIUPUECX-HZPDHXFCSA-N 368.368 2.343 0 40 FEAB CC[C@@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9313483 JFUBINVJSYNTKW-LLVKDONJSA-N 357.439 2.116 0 40 FEAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 14160222 OQXUBPZWNDNUIT-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB COc1ccc(CNc2nnc(Sc3ccc4nnnn4n3)s2)cc1 14142052 JKEBFSAJIZGISN-UHFFFAOYSA-N 372.439 2.143 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 14246937 NLOMLMGUXHGARQ-UHFFFAOYSA-N 372.425 2.228 0 40 FEAB Cc1ccc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1C 6590139 KJTNDOCMZGMFAE-UHFFFAOYSA-N 357.801 2.338 0 40 FEAB O=C(CN1CSCC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 6879686 PNIWMBVHXAGVKX-UHFFFAOYSA-N 363.420 2.010 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 6911781 WWQJNAUSGYAHPP-MRVPVSSYSA-N 367.456 2.227 0 40 FEAB CCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1N 121405634 XQOFPDIOASCLFK-UHFFFAOYSA-N 360.468 2.409 0 40 FEAB COc1ccccc1CNC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 7061559 KNACQVFHWZQXHK-UHFFFAOYSA-N 369.446 2.272 0 40 FEAB COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 15842946 ASVCHHDNUCPATO-GFCCVEGCSA-N 374.418 2.260 0 40 FEAB CCCn1nnnc1CSc1nnc(-c2ccc(OC)cc2OC)o1 7545907 OISUCOKPGAKKDV-UHFFFAOYSA-N 362.415 2.443 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(F)cc2F)cc1 7721793 ZPXAOZIDJNWNCQ-UHFFFAOYSA-N 358.391 2.343 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 7910393 ALDVRSGHQHTOGG-UHFFFAOYSA-N 363.458 2.259 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 20634591 NQLWYFZDXOVUAU-QGZVFWFLSA-N 358.438 2.210 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8015657 GVFHDUGZTQOJBH-LLVKDONJSA-N 374.418 2.370 0 40 FEAB O=C1c2nn(Cc3ccc(F)cc3)c(=O)n2CCN1Cc1cccc(F)c1 98213178 XFLIOYQBGHYTGW-UHFFFAOYSA-N 370.359 2.027 0 40 FEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)no1 9953253 GEGIMYYHODZEBQ-NSHDSACASA-N 357.370 2.493 0 40 FEAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1cc(F)c(F)c(F)c1 72401845 YHFGBWOKPVIQKK-UHFFFAOYSA-N 363.295 2.467 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cccc2ncccc12 32879145 RQEZLSNEYFXNDR-LJQANCHMSA-N 360.417 2.086 0 40 FEAB COc1ccc(C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)c(OC)c1 72393768 WITSQXHWFXNWDQ-UHFFFAOYSA-N 367.409 2.390 0 40 FEAB COCCNC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 32909777 IWIIKHNDGHNDRT-QPJJXVBHSA-N 350.846 2.354 0 40 FEAB CN(C)C(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72377012 QODPDDLWRNWLOA-INIZCTEOSA-N 357.433 2.480 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccnn1C1CCCC1 36752872 PQNRFKXWIJUACQ-UHFFFAOYSA-N 360.487 2.215 0 40 FEAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1 36700248 VAHVFCKVAMGJDK-LJQANCHMSA-N 360.479 2.429 0 40 FEAB O=C(COc1ccc(F)cc1)NCc1cccc(CN2CCOCC2)c1 47276305 QANJOVZKWSDQMB-UHFFFAOYSA-N 358.413 2.353 0 40 FEAB CC(C)(C)n1cnc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)n1 569107392 TUNYTRVCHAVEDS-UHFFFAOYSA-N 350.806 2.414 0 40 FEAB Cc1ccc(CN(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 223919157 FLHCABCVSCOHTD-UHFFFAOYSA-N 360.479 2.381 0 40 FEAB CN(C)C(=O)COC[C@@H]1CCC[C@]12CN(Cc1cccs1)CCO2 96160898 IDUSFBRRCPFZHY-YJBOKZPZSA-N 352.500 2.224 0 40 FEAB Cc1cccc(N2CCOC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 96240126 LHZZXUURNPGINT-FQEVSTJZSA-N 371.412 2.168 0 40 FEAB CN1CCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc43)cc2F)CC1 585084149 VNFPDRFPZCPVOQ-MRXNPFEDSA-N 369.440 2.484 0 40 FEAB CC1(C(=O)N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)CC1 96143010 QBRHQUALCJDKSL-LJQANCHMSA-N 360.479 2.329 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccncc4)C3)OCC2=O)s1 96051471 FEVUDBBPPKDKLE-IBGZPJMESA-N 373.478 2.086 0 40 FEAB Fc1ccc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)cc1 96049506 WBLMMAMIMMZBIJ-IBGZPJMESA-N 359.449 2.058 0 40 FEAB CNc1cccc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257331500 XTCRTFSXTUCQKQ-CQSZACIVSA-N 359.430 2.162 0 40 FEAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@H]1C(N)=O 253399504 JONKFVJKJNMMEM-CABZTGNLSA-N 363.801 2.138 0 40 FEAB biogenic,in-vitro Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(-c3ccccc3CO)cc12 623169983 VIZXYJKWESBRNQ-OAHLLOKOSA-N 357.435 2.259 0 40 FEAB O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1ccnc2cc(Cl)ccc12 1122198180 DSFODGRZIGFAHD-ZDUSSCGKSA-N 373.840 2.303 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cccc(CN3CCOCC3)c2)C1 643855270 XAANBQWGCDZIMT-MOPGFXCFSA-N 356.470 2.204 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)CC12CC=CC2 645508279 JNYUKGHGIRFHOG-AHCXZYCDSA-N 361.486 2.199 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC2(CCOCC2)C[C@H]1C 652449900 UNPJHOAETCHYKS-CABCVRRESA-N 360.454 2.281 0 40 FEAB Nc1ccccc1S(=O)(=O)N1CCC(N2CCc3ccccc3C2)CC1 681027944 NBKCKHSRFYWBIS-UHFFFAOYSA-N 371.506 2.480 0 40 FEAB CN1CCc2ccc(S(=O)(=O)N[C@@H](CC(=O)O)c3cccs3)cc21 681556678 CREHVZLMBIWQHA-ZDUSSCGKSA-N 366.464 2.235 0 40 FEAB CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 681947533 RLIUIKJDSZOSCG-NSHDSACASA-N 373.374 2.178 0 40 FEAB COCc1noc(C2(NC(=O)[C@@H]3CCc4ccccc43)CCOCC2)n1 585141869 HDUHKNLKIRGAPS-OAHLLOKOSA-N 357.410 2.068 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)C(C)C)CC1 27182357 NANDONWNBDCTHT-ZDUSSCGKSA-N 371.503 2.195 0 40 FEAB CCCc1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(F)cc3)C2)on1 1615083135 WKXYPIOUXPHAJD-LJQANCHMSA-N 362.401 2.212 0 40 FEAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(Br)cc3)C2)n1 1775966982 AHDPBGZHLCBFBN-UHFFFAOYSA-N 362.227 2.086 0 40 FEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 5001319 HRPREGBLPLQEIQ-CYBMUJFWSA-N 360.439 2.292 0 40 FEAB CCOC(=O)c1ccc[n+](CCCC[n+]2cccc(C(=O)OCC)c2)c1 5461897 CLLOIASQOITQAP-UHFFFAOYSA-N 358.438 2.095 0 40 FEAB COc1ccc(CN2CCC(c3noc([C@H]4CCC(=O)N4)n3)CC2)cc1 12328596 QJSRPALDALGDEK-MRXNPFEDSA-N 356.426 2.409 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)c2nccnc21 12365142 ZTVPNALSJDKPFU-ZDUSSCGKSA-N 369.400 2.287 0 40 FEAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12676701 RGVNYLIKRRJNIM-UGSOOPFHSA-N 373.478 2.402 0 40 FEAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 14225272 YOOHMCUNWGNRHS-UHFFFAOYSA-N 368.480 2.402 0 40 FEAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15334701 WBVBVFAPTKWSIN-WMLDXEAASA-N 359.447 2.424 0 40 FEAB Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 16314323 QBPYXZCHVBYBCC-CVEARBPZSA-N 368.524 2.360 0 40 FEAB CC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17056446 JHYNDFCHZRYIPO-KBPBESRZSA-N 356.463 2.387 0 40 FEAB COc1cc(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1C 18658499 YYOANUWDEGWVFV-UHFFFAOYSA-N 362.403 2.447 0 40 FEAB CCCn1c(C)cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc21 19525990 JQPGYQSEUCFVCI-UHFFFAOYSA-N 354.410 2.009 0 40 FEAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)CC3)C1 19709548 GTLLAZKYEQCRJO-KRWDZBQOSA-N 359.518 2.442 0 40 FEAB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)c(C)c1 8336565 HZMVTADDPMGPKM-WQLSENKSSA-N 353.334 2.144 0 40 FEAB CC1CCN(C(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)CC1 9761949 ZDGUREFTBNJQBP-UHFFFAOYSA-N 371.459 2.288 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021311 PEMVNFBPPVVLNC-CYBMUJFWSA-N 353.382 2.234 0 40 FEAB COc1cc(NC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)ncn1 1888863849 KFRQFEVXQXRBPP-UHFFFAOYSA-N 362.380 2.409 0 40 FEAB C[C@@H]1COCCN1CCN1C(=O)N[C@@H](c2cccc3ccccc23)C1=O 1262199572 SNYLHDJDNXNSFZ-KDOFPFPSSA-N 353.422 2.153 0 40 FEAB COc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2C)cc1OC 16755669 DWZUDPNWIHUHSQ-UHFFFAOYSA-N 371.422 2.264 0 40 FEAB O=C(CSCc1ccccc1)NCCN1Cc2ccccc2OCC1=O 238881057 PGMLXOKCJROEDZ-UHFFFAOYSA-N 370.474 2.457 0 40 FEAB Cc1nc2ccc(N3CCN(c4ncnc5ncccc45)CC3)nn2c1C 2087050522 WQBDTIFJLLIWML-UHFFFAOYSA-N 360.425 2.011 0 40 FEAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccnc1OC 206800383 MNHYNRVMKNCMTA-DOMZBBRYSA-N 374.368 2.064 0 40 FEAB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(Br)cc1 4495787 WERSWLWJTKVWJK-UHFFFAOYSA-N 370.228 2.246 0 40 FEAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cc(OC)c2c(c1)OCO2 40039058 ZHMWZMBWJPLTHP-MRXNPFEDSA-N 374.393 2.490 0 40 FEAB Cc1ccccc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 32680441 FLHGYEPBGSHMPZ-HNNXBMFYSA-N 350.422 2.292 0 40 FEAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 32736197 VSUIJDVHYVQNQW-UHFFFAOYSA-N 364.449 2.166 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccccc1 21586736 HVLQPVDPNXCIAD-AWEZNQCLSA-N 350.396 2.050 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1 32873835 DSWMVCANEFZWHS-CYBMUJFWSA-N 366.487 2.191 0 40 FEAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]1CCS(=O)(=O)C1 22611556 NOEQLGAKNNCEDW-NSHDSACASA-N 365.480 2.270 0 40 FEAB Cc1c(CN2CCN(CC(=O)NC3CC3)CC2)noc1-c1ccc(F)cc1 22805373 VOJTXXNEOHILPF-UHFFFAOYSA-N 372.444 2.185 0 40 FEAB CCCCn1nc(C(=O)NCCn2c(C)nc3ccccc32)ccc1=O 24382093 GRUWBXRZGXOMNK-UHFFFAOYSA-N 353.426 2.132 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 6647075 HNQLMPWRHBNMFO-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 6784620 ROUVWYPXBITHLI-UHFFFAOYSA-N 365.436 2.264 0 40 FEAB Cc1ccccc1OC[C@H](O)CN1CCCN(C(=O)c2ccoc2)CC1 55059964 KZQLIUDOBOHUKC-GOSISDBHSA-N 358.438 2.176 0 40 FEAB C[C@H](NC(=O)Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 55828727 DGELIKMIVFEPBV-LBPRGKRZSA-N 352.481 2.418 0 40 FEAB Cc1cc(C)n(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 27982539 HYQLKBDTQVLYBI-UHFFFAOYSA-N 364.452 2.152 0 40 FEAB CCOc1cc(S(=O)(=O)NCCCOC)ccc1Br 27530754 YLXCZQBDVHBMSA-UHFFFAOYSA-N 352.250 2.163 0 40 FEAB O=C(CNS(=O)(=O)c1ccccc1F)Nc1cccc2cccnc12 58119754 JODUHDOZOWISCA-UHFFFAOYSA-N 359.382 2.291 0 40 FEAB O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCC2(CC1)OCCO2 58217540 MZXOUGGCAVCQGR-QGZVFWFLSA-N 362.495 2.142 0 40 FEAB Cc1csc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)n1 12621367 ZQXXPXNOWVJHII-UHFFFAOYSA-N 356.407 2.340 0 40 FEAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C1=O 101129018 CLTZTJKBOIWMHI-KSZLIROESA-N 370.380 2.319 0 40 FEAB CCn1c(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)nc2ccccc21 48235422 KOFLJIHZCASGEA-UHFFFAOYSA-N 351.366 2.124 0 40 FEAB Cn1cc(-c2nc(C(=O)NCc3cccnc3-n3cccn3)cs2)cn1 48235890 MCAORQFCAFCKJI-UHFFFAOYSA-N 365.422 2.054 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 102139341 GXSRITXPICVVHD-SCMJLYPYSA-N 374.396 2.193 0 40 FEAB CNC(=O)CCNC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 58412294 QXJGGSMHZPXMRI-UHFFFAOYSA-N 356.357 2.203 0 40 FEAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccc2ccccc12 10508233 PJBAQRQXUVEWTB-UHFFFAOYSA-N 351.391 2.282 0 40 FEAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccc2cccnc12 2222528 XKTUUHUXDFOLTA-QGZVFWFLSA-N 368.418 2.266 0 40 FEAB COc1ccc([C@H]2SCCN2S(C)(=O)=O)cc1Br 2203084 NYRMYQYVPVHNLD-LLVKDONJSA-N 352.275 2.465 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 22258702 MYMTWXIOMSTTGU-HNNXBMFYSA-N 359.451 2.429 0 40 FEAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2C1 10923614 JLQZEBSZBBYDCP-UHFFFAOYSA-N 362.476 2.387 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 28672243 XJTNDGAHERSCMM-MRXNPFEDSA-N 368.433 2.315 0 40 FEAB CCCCOc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 11565854 MMZVRZXOQMFGQL-UHFFFAOYSA-N 354.472 2.060 0 40 FEAB CCCN1CCc2c(sc3nc(SCC(=O)OC)nc(N)c23)C1 20841044 HESAKWGNCSKHJF-UHFFFAOYSA-N 352.485 2.307 0 40 FEAB Cc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)Nc2cc(C)on2)C(C)C)cc1 3392888 UPLFFGVLYYNTCH-QGZVFWFLSA-N 373.409 2.228 0 40 FEAB CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 10130212 XRCWADMRLREHST-QMMMGPOBSA-N 368.842 2.440 0 40 FEAB C[C@@H](C(=O)NCc1ccco1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956765 CSGRJGFVYZDTPK-JTQLQIEISA-N 358.366 2.029 0 40 FEAB NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 3563499 MNGHJFGDTZYPJO-UHFFFAOYSA-N 368.418 2.300 0 40 FEAB COc1cc(SC)ccc1C(=O)OCC(=O)NC(=O)NCC(C)C 3524501 SEVPNBHYXYSEKW-UHFFFAOYSA-N 354.428 2.056 0 40 FEAB Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)nc(C(C)C)n1 12998340 JZBPIIUCCHJLCG-UHFFFAOYSA-N 364.457 2.211 0 40 FEAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 26455891 RAJUCPPXTNDBFL-SFHVURJKSA-N 373.453 2.352 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)c3ccc(Cl)cc3)cnc12 12919617 HRKHMSXIALODFX-MRXNPFEDSA-N 371.824 2.208 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)[C@@H]2C1 408682687 LFCVIVHXZVPPRV-OKZBNKHCSA-N 368.433 2.441 0 40 FEAB CCCCC[S@@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCC 6397390 HBDJWXISPOPUAE-GOFCXKROSA-N 356.575 2.030 0 40 FEAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccc(F)cc1 5349951 PPNBHTPANJSLLH-WQVCFCJDSA-N 373.380 2.281 0 40 FEAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 14142216 CCVDQULAWKJXCP-QGZVFWFLSA-N 361.467 2.204 0 40 FEAB CSc1ncccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 14125921 YHUNCQMYYITGLM-LBPRGKRZSA-N 366.464 2.226 0 40 FEAB CCOC(=O)C(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)OCC 14232493 FBSYSNGIYFCENH-UHFFFAOYSA-N 362.209 2.147 0 40 FEAB Clc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2nc[nH]c2n1 9420178 HXDNMWOUDAMPCF-UHFFFAOYSA-N 372.816 2.057 0 40 FEAB CCN(CC)C(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 66325359 LMBVIGAOSPAVKY-CQSZACIVSA-N 351.472 2.008 0 40 FEAB COc1ccc(COC[C@H](O)CN(C)Cc2ccc3c(c2)OCCO3)cc1 7015504 LATBZKAKWBWNKB-GOSISDBHSA-N 373.449 2.476 0 40 FEAB CN(C)[C@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)c1cnn(C)c1 90582449 JCEHHIKXRMOEIT-QGZVFWFLSA-N 361.877 2.444 0 40 FEAB Cc1cc(NC(=O)COC(=O)CCc2cnn(-c3ccccc3)c2)no1 16257734 UVXYVYSVQXZFQQ-UHFFFAOYSA-N 354.366 2.283 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2C(C)C)n(-c2ccccc2)n1 16453285 YZXOIRBSLFCXAO-UHFFFAOYSA-N 357.443 2.479 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCC(CO)CC1 69208424 JQLFZOXIEGZEKS-AWEZNQCLSA-N 353.413 2.205 0 40 FEAB COc1ccccc1C1(C(=O)NS(=O)(=O)N2CCc3ccccc32)CC1 69419102 LWMBHKALRGVMLY-UHFFFAOYSA-N 372.446 2.151 0 40 FEAB Cn1cc(C(=O)NS(=O)(=O)CC(F)(F)F)c(C2CCCCC2)n1 408484750 FUMGCVDVRAMLGV-UHFFFAOYSA-N 353.366 2.090 0 40 FEAB CCCCS(=O)(=O)N1C[C@H]2c3nc(Nc4cccnc4)ncc3C[C@H]2C1 306123638 ASSOPGBLTSTQKJ-GOEBONIOSA-N 373.482 2.317 0 40 FEAB O=C(OCc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 97124597 UYWPXVMXNRXUAJ-INIZCTEOSA-N 363.460 2.494 0 40 FEAB COc1ccc([C@H](CO)N(C)S(=O)(=O)c2ccc(C)c(F)c2)cc1 95972881 XUCGAXKZIYLAGA-KRWDZBQOSA-N 353.415 2.497 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)Nc1nc3c(s1)C(=O)CC(C)(C)C3)CC2 89740892 XFWLHUSZGZMUQO-SNVBAGLBSA-N 359.455 2.399 0 40 FEAB Cc1cccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)c1 306140611 UYUSTCCNVWRFOD-LJQANCHMSA-N 357.479 2.313 0 40 FEAB CC[C@](C)(CNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)[C@@H](C)O 89942061 DZYXWHLXDCDRCX-CFLQYTFWSA-N 364.486 2.363 0 40 FEAB O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 152364739 UIHLOZZQSACYRG-NEPJUHHUSA-N 371.340 2.104 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)[C@H]2C1 408686732 SRCKDNNRWPUCEM-IRXDYDNUSA-N 354.406 2.005 0 40 FEAB O=C(OCc1ccccc1)[C@H]1CNC(=O)N1C(=O)OCc1ccccc1 34068118 GTXUCGKIYMDLJP-MRXNPFEDSA-N 354.362 2.460 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccncc2)cc1F 62018206 YVIXGBSZFQXIKH-UHFFFAOYSA-N 368.430 2.457 0 40 FEAB CN1CCc2cc3c(cc2[C@@H](O)Cc2ccc4c(c2C1)OCO4)OCO3 14681296 VVKPTQWGSHLYGL-INIZCTEOSA-N 355.390 2.408 0 40 FEAB biogenic O=C(NCc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCNCC1(F)F 566101481 SXSHUTNDUNAULO-CQSZACIVSA-N 373.831 2.038 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71980276 NFZKRCUIPDMYJN-HNNXBMFYSA-N 366.845 2.468 0 40 FEAB CCOC(=O)C1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1 225756662 NODFEWWJHBUBHD-UHFFFAOYSA-N 370.449 2.420 0 40 FEAB O=C(Nc1cccc(CS(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 223219491 ZDUQLEXSVDIJSX-INIZCTEOSA-N 352.456 2.120 0 40 FEAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 96245440 YTPNYQLNUVYSTH-GJZGRUSLSA-N 350.846 2.183 0 40 FEAB Cc1cccc(NC[C@H]2CO[C@@]3(COCCN(Cc4cnn(C)c4)C3)C2)c1 96100644 CNISFFCDPXAEIM-RXVVDRJESA-N 370.497 2.448 0 40 FEAB Cn1cc(CN2CC3(C[C@@H](CCOCC4CCOCC4)CCO3)C2)cn1 248138124 PMXGGANAQQYISB-KRWDZBQOSA-N 363.502 2.234 0 40 FEAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2cccs2)cn1 257331218 XRWGHBBFICSKAX-UHFFFAOYSA-N 354.435 2.500 0 40 FEAB c1cc2nncn2nc1N1CC2(C1)OCC[C@@H]2CCOCC1CCCC1 253595984 LRGINYZYTVVWSY-INIZCTEOSA-N 357.458 2.317 0 40 FEAB O=C([C@H](c1ccccc1)S(=O)(=O)[C@@H]1CCCOC1)N1CCCCC1 272466970 YRWAQAKBDPVGTP-SJORKVTESA-N 351.468 2.334 0 40 FEAB CC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1 625677385 FWQJSLDPZBYNEO-KRWDZBQOSA-N 371.547 2.268 0 40 FEAB CO[C@H](CS(=O)(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C1CC1 629331471 RWZKPQKBFJVDBB-BDJLRTHQSA-N 352.456 2.323 0 40 FEAB CC(C)c1cccc(NC(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)c1 639730376 KTTMWGXPQOICPN-AWEZNQCLSA-N 356.426 2.439 0 40 FEAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425708 HLUJSQBGJSEQRY-CABCVRRESA-N 359.513 2.280 0 40 FEAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@H](CN2CCOCC2)C3)c1 585103507 HBESAQHVMWYNNL-KRWDZBQOSA-N 374.481 2.044 0 40 FEAB CCC[C@H](NC(=O)COc1cc2oc(=O)cc(C)c2cc1CC)C(=O)O 5235506 WACMUGJDTAAJLS-AWEZNQCLSA-N 361.394 2.412 0 40 FEAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2CCOCC2)nc1 11103060 YONBDOHUBRXGFU-UHFFFAOYSA-N 372.450 2.134 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 12185983 IJVJZZSTTOIFMJ-XJKCOSOUSA-N 371.485 2.326 0 40 FEAB N[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 12647950 IRRZNNXALININJ-SJLPKXTDSA-N 352.390 2.279 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(C)CC2)cc1 13633341 OOLSJHMNPKCFOJ-UHFFFAOYSA-N 368.499 2.354 0 40 FEAB Cc1ccc(CC(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)cc1 19210009 AEDPKXDJXZLWQE-QGZVFWFLSA-N 363.465 2.176 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3CCc3ccccc3)n2CC1 19710744 HWGITLNXSXFBKW-SFHVURJKSA-N 353.470 2.062 0 40 FEAB Cn1ccnc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5359465 ACFDVWNNLRFLTH-UHFFFAOYSA-N 359.860 2.208 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)OCn1nnc2ccccc2c1=O 6425297 HXFRROSRMRSBQS-UHFFFAOYSA-N 359.769 2.333 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 6586330 TWZWSOLYILKIIM-MNVSYLFESA-N 371.437 2.006 0 40 FEAB COc1ncccc1C(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888876208 GVMPXEQYIZGKEO-YJYMSZOUSA-N 372.400 2.341 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4c2ncn4C)C3)n1 1888904027 STGWTRGPOTYTIL-KUHUBIRLSA-N 365.441 2.147 0 40 FEAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 2952312 OHHRLXIPOPOVHH-UHFFFAOYSA-N 365.433 2.219 0 40 FEAB COc1cccc(N2C[C@@H](NC(=O)NCCc3ccccc3)CC2=O)c1 5189457 SFVLBDYJEWEODH-INIZCTEOSA-N 353.422 2.342 0 40 FEAB CNC(=O)Cn1c(CO)cnc1SCc1ccc(Br)cc1 9827383 BSQOJZPPXNUNNF-UHFFFAOYSA-N 370.272 2.176 0 40 FEAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1nccs1 12440208 KPDFLXDBYGZQBX-UHFFFAOYSA-N 366.406 2.068 0 40 FEAB CCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccccc3)ccc21 22732629 GESNYJXLOJNESZ-UHFFFAOYSA-N 365.477 2.434 0 40 FEAB O=C(NC[C@H](c1ccco1)n1cccn1)C(=O)Nc1ccccc1Cl 575614640 ZMUUTFXDJPAUOS-CQSZACIVSA-N 358.785 2.474 0 40 FEAB CN(C)c1ccc(C(=O)N2CCc3nc(C4CCNCC4)ncc3C2)cc1 19584801 WFOVLQDQJPIYET-UHFFFAOYSA-N 365.481 2.208 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc(F)c1 32613477 DHHXTNCTBACDTM-MRXNPFEDSA-N 350.357 2.350 0 40 FEAB Cc1cccc(C)c1OCC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 40081956 NDQNXEADOWTCKE-HXUWFJFHSA-N 367.405 2.376 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(=O)Cc1ccccc1 31448411 JPXKEFGQXJYFCA-UHFFFAOYSA-N 373.840 2.096 0 40 FEAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc2c(c1)CCC2 31790991 DDGNVYIFMWAADJ-UHFFFAOYSA-N 354.797 2.454 0 40 FEAB CN1C(=O)[C@@](O)([C@H]2C(=O)Nc3ccc(Br)cc32)c2ccccc21 101090996 CCYAZZILOKJIMM-PBHICJAKSA-N 373.206 2.349 0 40 FEAB CCn1c(S)nc2cc(C(=O)NC[C@@H](O)c3ccccc3)ccc2c1=O 102375762 SIFZQMZQCSSRQX-MRXNPFEDSA-N 369.446 2.169 0 40 FEAB CC(C)N(C)C(=O)C1CCN(C(=O)COCCOc2ccccc2)CC1 41167542 CAIZELTZANPVCE-UHFFFAOYSA-N 362.470 2.187 0 40 FEAB CCCn1nc(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)ccc1=O 32817236 DPMOOGQOMKKVJK-SFHVURJKSA-N 368.481 2.220 0 40 FEAB Cc1cccc(-n2c(SCc3noc(C)n3)nnc2N2CCOCC2)c1 53224812 MAZPOMMJNBGJBA-UHFFFAOYSA-N 372.454 2.396 0 40 FEAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(C(N)=O)cc1 12557419 WIQDWXJGGRCUIZ-GFCCVEGCSA-N 355.394 2.386 0 40 FEAB CCOC(=O)[C@H](C(C)=O)C(c1ccc(O)cc1)[C@@H](C(C)=O)C(=O)OCC 1705738 OSTMROMJURSELQ-HZPDHXFCSA-N 364.394 2.012 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12544773 JBYCPXCEEYAVSO-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CC(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681726 CSHWTIFLHJNLEL-UHFFFAOYSA-N 368.436 2.385 0 40 FEAB Cc1nc2ccc(N[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2s1 12517071 PNKIIPXCEVLTNA-MFKMUULPSA-N 367.496 2.051 0 40 FEAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O 106763466 CKIGDHICCBWVCZ-LCYFTJDESA-N 362.407 2.060 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCCC2CCCCC2)cc1OC 8164167 WBZBQADAWDFEAZ-UHFFFAOYSA-N 362.470 2.449 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3cccs3)C2=O)cc1 8643850 SEIXSLMTDBXBKN-LJQANCHMSA-N 371.462 2.482 0 40 FEAB CCn1ncc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C 8782547 VVHVAUSWDYGUNK-UHFFFAOYSA-N 362.455 2.222 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)C(C)(C)c2ccccc2)cc1 28003902 PVBKWAZGILIDMI-UHFFFAOYSA-N 360.479 2.367 0 40 FEAB CC(C)(C)c1noc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)n1 107421062 JHPNWPXELNJUNL-UHFFFAOYSA-N 355.416 2.324 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 58105242 AMCNCNYCIQPMIP-JTQLQIEISA-N 355.232 2.143 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 57008184 JQLVIFKGRPVSRC-UHFFFAOYSA-N 357.334 2.497 0 40 FEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)n1 9140154 XGHDLMDGENIHLJ-UHFFFAOYSA-N 362.459 2.243 0 40 FEAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1nnc2n1CCC2 95461087 HPVADJWJGWVWSS-AWEZNQCLSA-N 357.462 2.391 0 40 FEAB C[C@H]1CCCN([C@H](C)CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 109049286 YVFIXMDIGIYEDR-LSDHHAIUSA-N 372.444 2.222 0 40 FEAB COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1OCC(N)=O 29515778 PVJVVZIAVABZJV-QWRGUYRKSA-N 354.834 2.331 0 40 FEAB NC(=O)[C@H]1CCCN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 36389955 HDAAJYPXRASPLV-MSOLQXFVSA-N 365.433 2.103 0 40 FEAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 36392573 GHXRZXPBAPBMQE-UHFFFAOYSA-N 350.396 2.325 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(Cn2ccnc2)cc1 28695262 FUHMEKJSGDOQAH-UHFFFAOYSA-N 366.396 2.117 0 40 FEAB O=C(Cn1cc(Br)cn1)Nc1ccc(N2CCOCC2)cc1 59352427 MTPJJSFPGYDODO-UHFFFAOYSA-N 365.231 2.121 0 40 FEAB O=C(COc1ccccc1F)NC[C@@H](c1cccs1)N1CCOCC1 12945106 ROZCEUSUUTZZJV-HNNXBMFYSA-N 364.442 2.456 0 40 FEAB COc1cccc(-c2cnc3n2C[C@]2(CCN(C(=O)C4CC4)C2)OC3)c1 306138699 SEQHQCARSBVSSX-HXUWFJFHSA-N 353.422 2.470 0 40 FEAB C[C@@H](NC(=O)NCCSCc1ccnc(Cl)c1)c1nncn1C 95468912 YZNVFBKXYDYJAO-SNVBAGLBSA-N 354.867 2.157 0 40 FEAB CCOc1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccccc3)N2)cc1 13692849 ZTYBLSCSKAWYJQ-INIZCTEOSA-N 352.394 2.380 0 40 FEAB CC(=O)N1CCn2nc(C(=O)N[C@H](C)c3nc4c(s3)CCCC4)cc2C1 65457441 BODPBCLKTJCLNN-LLVKDONJSA-N 373.482 2.072 0 40 FEAB CCOC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c(=O)n2CC 14077091 RBNXUOSQMTWSOB-UHFFFAOYSA-N 352.390 2.408 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c1C 9337858 XMLKSWVRBOEVKE-UHFFFAOYSA-N 373.800 2.113 0 40 FEAB COc1ccc2nc(COC(=O)c3ccccc3)c(C(C)=O)[n+]([O-])c2c1 5500455 FJYKTXQDVNZCNL-UHFFFAOYSA-N 352.346 2.436 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4F)[C@H]3C2=O)cc1 6770495 CGUCNCOMZOPFPP-JKSUJKDBSA-N 354.341 2.328 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1 9426034 SGNZRIZPRHSHIP-AWEZNQCLSA-N 354.472 2.155 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc21 15324706 PSOBMJDAXKLMQD-UHFFFAOYSA-N 362.426 2.256 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(N2CCCC2)cc1 7207329 BCMZWMZTBBBFRB-UHFFFAOYSA-N 364.409 2.280 0 40 FEAB Cn1nc(CC(=O)OCc2cc(-c3ccco3)on2)c2ccccc2c1=O 7529428 NGZVJYNGRANEPH-UHFFFAOYSA-N 365.345 2.467 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1ccccc1F 7831187 GJYHTKZOEIAQEW-UHFFFAOYSA-N 366.396 2.400 0 40 FEAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 70040784 DZNURKBEDVNUNB-IFXJQAMLSA-N 358.438 2.282 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(N2CCCCC2=O)c1 69629881 IQIYOTGJHOBQEM-AWEZNQCLSA-N 358.442 2.336 0 40 FEAB Cc1ccc(Cn2ncc([C@@](O)(c3nccn3C)C(F)(F)F)c2N)s1 8725310 KQYJLBCWXYPGBF-CQSZACIVSA-N 371.388 2.415 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)s1 8878822 GMNALWMPFMYAQL-UHFFFAOYSA-N 355.419 2.020 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc(Cl)cc1 9898401 QODGXJHBBOUXFP-UHFFFAOYSA-N 366.870 2.449 0 40 FEAB COCCOc1ccc(NC(=O)NCC(=O)OC2CCCCC2)cn1 75092404 FSPYWECVUCJFGH-UHFFFAOYSA-N 351.403 2.104 0 40 FEAB CN(C(=O)Cc1noc2ccccc12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 76500946 ORLWOGQBUKGSEC-ZBFHGGJFSA-N 350.440 2.185 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408593625 MUYFXEXHIMPSPQ-UHFFFAOYSA-N 357.476 2.169 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)cc1 408582545 DDBJXKQJGYWUAT-UHFFFAOYSA-N 354.815 2.313 0 40 FEAB Cc1sc(-n2cnnn2)c(C(=O)N(C(=O)NC(C)C)C(C)C)c1C 526052552 MZJPDOGFBDKHDQ-UHFFFAOYSA-N 350.448 2.309 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218666568 QYYFDYJFNAXTSX-IJEWVQPXSA-N 369.801 2.201 0 40 FEAB CC(C)(C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217630584 NGAHSMCTAJTLPZ-LLVKDONJSA-N 356.444 2.053 0 40 FEAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CNC(C)=O)n2)s1 72375385 WIDJBQGGAPKDPY-ZDUSSCGKSA-N 374.470 2.039 0 40 FEAB O=C(COc1ccccc1F)N1CCC(c2n[nH]c3nccnc23)CC1 72393777 RGVFSRUTPRLGPF-UHFFFAOYSA-N 355.373 2.277 0 40 FEAB COc1cccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)c1 224751282 QDHYORPIMCCHLS-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2ccnc(N3CCCC3)n2)cc1OC 224199572 HPZJVSMXEVGROS-SOFGYWHQSA-N 368.437 2.424 0 40 FEAB C[C@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC(c2ccccc2F)=NO1 226747057 CEVDYHMZGBYXQV-ZUOKHONESA-N 373.428 2.226 0 40 FEAB Cc1cccc(CNC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c1 226062357 WGLVSVBWMLTXRR-UHFFFAOYSA-N 364.442 2.212 0 40 FEAB CC(C)c1nnc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)s1 96232160 VORDMVOBVVPYQV-LBPRGKRZSA-N 373.438 2.111 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cc1F 96071529 INIGLNXSMYCJDR-QGZVFWFLSA-N 354.447 2.164 0 40 FEAB CN1C(=O)CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1cncn1C 583619178 MWNMKBUTAMYZLV-VQIMIIECSA-N 352.438 2.001 0 40 FEAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1 96050680 IYPIZERUSKAJBQ-NRFANRHFSA-N 365.433 2.355 0 40 FEAB CCn1nccc1S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1 585083788 MXAHMTRJDQPAQQ-UHFFFAOYSA-N 368.890 2.376 0 40 FEAB CSc1nnc([C@@H]2CCCN(CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C 245230062 KWVPCEYTUUHIGH-RBSFLKMASA-N 365.547 2.411 0 40 FEAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257260490 LDCXMHCHDWAFLV-KRWDZBQOSA-N 352.438 2.150 0 40 FEAB CN[C@H]1CC2(CCN(C(=O)c3ccccc3Cl)CC2)OC[C@]1(C)O 257233642 GQBZEIYHKXRLJB-RDJZCZTQSA-N 352.862 2.074 0 40 FEAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)c3nccn3C)CC2)C1 257238124 HJRMOBYCDJBIMD-KRWDZBQOSA-N 354.454 2.320 0 40 FEAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257336170 YNLVYWAVQNPZON-AWEZNQCLSA-N 363.487 2.368 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NCC2CCCCC2)Oc2ccccc21 260853319 WRIQFMFVBAODFS-QGZVFWFLSA-N 366.483 2.300 0 40 FEAB O=C(c1ccc(Cn2cncn2)cc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681677137 IGLUHGRJHPDLBF-NRFANRHFSA-N 373.416 2.062 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2ccn(C3CCCC3)n2)C1 1775957089 CDBJXCLSOAUIKO-SJORKVTESA-N 356.474 2.498 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@@H](Oc2ccncc2Br)C1 1776001758 JVYXDQDJFSWIEF-CYBMUJFWSA-N 362.227 2.462 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@H](C)O3)nn1C1CCCCC1 1615590544 LHOUOYUBYUJUIK-AWEZNQCLSA-N 360.458 2.164 0 40 FEAB O=C(NCc1cccs1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377666 BQTZUDDISLSGMM-UHFFFAOYSA-N 354.428 2.255 0 40 FEAB COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)c1ccccc1)OC 96385142 AMOTYTYCXBJDND-KDOFPFPSSA-N 356.422 2.376 0 40 FEAB CN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3ccccc3Cl)ccc21 96362917 BPYAGTQCGYMSIA-KRWDZBQOSA-N 373.840 2.121 0 40 FEAB C[C@@H](CNC(=O)[C@@H]1COCCO1)Sc1ccc(Br)cc1 68568310 ZWEBBIUSDZRAAO-GWCFXTLKSA-N 360.273 2.461 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)O 58519331 XDLYJGZECKPGLI-UHFFFAOYSA-N 363.391 2.371 0 40 FEAB COc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1OC 57530633 BJJLICLBXDEPNI-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCNc2ccc(C)nn2)cc1 57887518 LBLYLUGBELJFDQ-CYBMUJFWSA-N 373.482 2.452 0 40 FEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 79102417 GLAWNHMRVCSFJK-ZBFHGGJFSA-N 368.437 2.073 0 40 FEAB Nn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccco1 5335868 ZNRSMCJILFPZOE-UHFFFAOYSA-N 363.830 2.314 0 40 FEAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCCC1 5452174 KCFDEHUJFJKLQS-UHFFFAOYSA-N 354.435 2.079 0 40 FEAB O=C(Cc1ccsc1)N1CCC[C@@H](Cn2nnc(-c3ccccn3)n2)C1 13268047 IRKPTRSZCSUJMU-OAHLLOKOSA-N 368.466 2.278 0 40 FEAB COc1ccccc1N(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O 13668437 ICEGIMAWHPSYCY-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 16740481 YFBOLMBQVRGJJD-UHFFFAOYSA-N 353.488 2.188 0 40 FEAB CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)[nH]n1 19451895 XBYLRLJYUSDECW-AWEZNQCLSA-N 368.485 2.331 0 40 FEAB CCn1cc(CN2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)c(C)n1 19524575 JDUVMDMGTNQNNY-UHFFFAOYSA-N 372.517 2.101 0 40 FEAB C[C@@H]1Cc2cc(CN3CCC(c4nnc5n4CCNCC5)CC3)ccc2O1 19709409 UCLKIWNFFAIONF-OAHLLOKOSA-N 367.497 2.127 0 40 FEAB Cc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1C(=O)N1CCOCC1 572454299 GIUAESXHWMYEEU-UHFFFAOYSA-N 366.421 2.387 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 257330213 XNKAKURCZZUUHJ-MRXNPFEDSA-N 353.382 2.290 0 40 FEAB CN1C(=O)C[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1nccn1C 583396617 FBCSEQMITVYKPC-SUMWQHHRSA-N 352.394 2.116 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O 32098869 ZPDUEFCWDPJFBV-UONOGXRCSA-N 364.398 2.233 0 40 FEAB Cc1cc(C)cc(OCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 4979131 UNUGCKXZTPHNCR-UHFFFAOYSA-N 368.389 2.211 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 20671120 BBOMSGMOQWFDEW-CYBMUJFWSA-N 355.369 2.299 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245318954 YANRWBSULLZYRN-NHAYFPRASA-N 368.518 2.353 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)c3cncnc3C)CC2)cc1C 2037913168 XMHZIGJOJCRMCL-UHFFFAOYSA-N 355.438 2.448 0 40 FEAB O=C(N1CCC2(CC1)COCCN(c1nccs1)C2)C1(F)CCC1 1565549490 SGFZWROLICGHFB-UHFFFAOYSA-N 353.463 2.481 0 40 FEAB O=C([C@@H]1CN(c2ccc(Br)cn2)CCO1)N1CCCCC1 2086856792 NMVXFSGOULPPNT-ZDUSSCGKSA-N 354.248 2.062 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1cncc(-c2ccco2)c1 575618821 PHRSJTOZNZBUNB-UHFFFAOYSA-N 360.373 2.368 0 40 FEAB COc1cccc(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)c1 19564229 AKUUMRZGEAASCZ-OAHLLOKOSA-N 365.437 2.028 0 40 FEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 40088727 VMNGCHFMIRLASN-SJKOYZFVSA-N 351.406 2.310 0 40 FEAB Cc1cnc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)s1 20006739 OTIOZMMVWUEWCN-VIFPVBQESA-N 351.453 2.414 0 40 FEAB C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 32074832 SRTDBAOXXADUJC-CQSZACIVSA-N 372.856 2.202 0 40 FEAB CCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102126316 QGECGJQPJRBLPU-VDQHWBOFSA-N 356.850 2.343 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 32975820 ZOJRANZZKQMHKK-INIZCTEOSA-N 364.401 2.392 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2c(F)cccc2F)C1=O 47355993 FGFCIHAURVXMMZ-QGZVFWFLSA-N 353.369 2.037 0 40 FEAB C[C@@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@H](O)/C=C/C(=O)O1 6488183 ZZWKZQDOSJAGGF-MAQMSOENSA-N 365.470 2.075 0 40 FEAB in-vitro CC(C)OCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606896 XHEIYFIEJRVWHC-AWEZNQCLSA-N 374.528 2.080 0 40 FEAB CC[C@H](C)N(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@@H](C)CC 25047523 UTBRKHQQVMXWDP-STQMWFEESA-N 374.437 2.495 0 40 FEAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N3CCOCC3)C(=O)[C@H]2C1 8473349 QVQXZXTWLWIOAL-ZBFHGGJFSA-N 354.406 2.005 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCNC(=O)[C@H]2c2ccccc2)n1 58173112 PSDWXTWBRYDAQL-QGZVFWFLSA-N 356.426 2.215 0 40 FEAB CCN1C[C@@H](CN(C)Cc2cc(=O)n3ccccc3n2)Oc2ccccc21 58289086 BVENDTPDJZCPOT-QGZVFWFLSA-N 364.449 2.414 0 40 FEAB COc1ccc(CCC(=O)NC[C@H](O)COCc2ccc(OC)cc2)cc1 58310794 LXQIWYFTNJNZRP-SFHVURJKSA-N 373.449 2.330 0 40 FEAB Cc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 36389623 OAICYVADBBHNIJ-UHFFFAOYSA-N 351.450 2.069 0 40 FEAB CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc21 84791058 DAJLRIAOCKBMAD-CQSZACIVSA-N 353.426 2.176 0 40 FEAB O=C([C@@H]1[C@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F)C(F)(F)F 103338370 KLEHINJTODMJFT-DKCNOQQISA-N 372.290 2.204 0 40 FEAB O=C1CO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1c1ccccc1 67897057 FISYLUPKCMKBIE-APWZRJJASA-N 352.390 2.032 0 40 FEAB biogenic,in-vitro NC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 3301274 APSOEGKOPQDCGN-UHFFFAOYSA-N 365.433 2.053 0 40 FEAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(CC)ccc21 2427980 JQEWNHYACITYAF-GOSISDBHSA-N 374.466 2.161 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 101061861 WSEBHFKFUDUPGM-GZXFCSGKSA-N 366.417 2.077 0 40 FEAB Cc1cnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 28223550 PDDBEPMIWOKINJ-ZDUSSCGKSA-N 365.480 2.491 0 40 FEAB CC(C)Cn1c(SCC(=O)NCCc2ccccc2)nc(O)cc1=O 3532746 UOZASDYWAMJAEO-UHFFFAOYSA-N 361.467 2.056 0 40 FEAB CC(=O)N1C[C@@H](C(=O)N[C@H]2CCOc3ccccc32)Oc2ccccc21 12979025 BBSLLCHBSPHCNM-KXBFYZLASA-N 352.390 2.441 0 40 FEAB Cc1ccc(F)c(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 12980839 NKEDUCJDTVKGJJ-UHFFFAOYSA-N 361.398 2.201 0 40 FEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccccc1)C=C2 96116546 YHRZJPDKMMSVJY-UHFFFAOYSA-N 366.417 2.376 0 40 FEAB biogenic Cc1cccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)n1 5972699 AQDLJMNLPDXWDH-UHFFFAOYSA-N 366.446 2.460 0 40 FEAB Cc1nc(-c2cccc(NC(=O)C3CCN(c4cnccn4)CC3)c2)n[nH]1 80410628 AWFOPLTWCMZBDK-UHFFFAOYSA-N 363.425 2.425 0 40 FEAB O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(Cl)cc1Cl 7676723 LDICLJCCDXTPEE-UHFFFAOYSA-N 355.177 2.155 0 40 FEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)OC(C)(C)C 8394491 NMMGFWSDMWJARU-UHFFFAOYSA-N 357.476 2.122 0 40 FEAB C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 18249988 NEKVNPTYJSACMM-QGZVFWFLSA-N 366.465 2.388 0 40 FEAB COc1ccc(CCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 8726564 ACLQABKQQVVZDI-UHFFFAOYSA-N 359.426 2.160 0 40 FEAB Cc1cccc(CN(C)[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)n1 72308490 FMFHMFTYMKLQCP-KRWDZBQOSA-N 368.481 2.265 0 40 FEAB Cc1cc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc2ccccc12 9911680 CFWCPUDFAFJQLW-QGZVFWFLSA-N 364.492 2.329 0 40 FEAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1ccccc1F 22075280 LVEJKBOZERGZDY-OAHLLOKOSA-N 362.445 2.473 0 40 FEAB COc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)on1 548034818 GHQNENHTIUAABZ-RYUDHWBXSA-N 368.434 2.133 0 40 FEAB C[C@H]1CN(c2nc(C3CCCC3)ns2)CCN1C(=O)c1cnn(C)c1 566790060 QBOWLQYZAJZEAL-LBPRGKRZSA-N 360.487 2.280 0 40 FEAB CC(C)OCCCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217573638 IIIPXKMMFMHHNL-UHFFFAOYSA-N 356.444 2.053 0 40 FEAB CC(C)(C)C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980562 NLRZTWFWKHYCTE-INIZCTEOSA-N 360.454 2.337 0 40 FEAB Cc1cccc(CNC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 226039775 ISWCMJCOLQNLKU-UHFFFAOYSA-N 360.479 2.116 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 40120594 QDBCSVHQDFLMTQ-DZGCQCFKSA-N 357.462 2.213 0 40 FEAB CCOC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)Cc1ccccc1)C2 96039384 ZZVCHSPHACEVHK-ROUUACIJSA-N 353.484 2.424 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)Cc2ccccc2)C1 96244413 BGVUWZKCYJZLIZ-NRFANRHFSA-N 366.465 2.094 0 40 FEAB COCCC(=O)N1CC[C@]2(COCc3c(C)nc(-c4ccccc4)nc32)C1 96244698 WFJAGLLVSYOUQA-OAQYLSRUSA-N 367.449 2.489 0 40 FEAB CS(=O)(=O)N1C[C@@H]2CN(Cc3ccco3)CC[C@]2(c2ccccc2)C1 96083383 LQAHJYLESBGUBN-PKOBYXMFSA-N 360.479 2.315 0 40 FEAB Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)sc1C 96182869 YJGHYMYWFSEMTL-HUUCEWRRSA-N 363.414 2.436 0 40 FEAB Cc1c(CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cnn1C 257310712 UGFDYSMXHAVQJZ-SFTDATJTSA-N 354.498 2.330 0 40 FEAB O=S(=O)(N[C@H]1CCc2ccccc2OC1)c1cccc(-c2nnco2)c1 585079972 BLBBSJKVAXJNMY-HNNXBMFYSA-N 371.418 2.409 0 40 FEAB CO[C@H]1CN(CC(=O)N2CCSc3ccccc32)CC[C@@]12CCCO2 257268544 MMESZNAZQIFSRD-HKUYNNGSSA-N 362.495 2.395 0 40 FEAB C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1Oc1ccccc1 257225871 FIFBKMPJGIJREX-UYAOXDASSA-N 355.390 2.460 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)CSc2ccccc2)C1 100151211 AWTOWIPJXQJRGL-YESZJQIVSA-N 356.491 2.421 0 40 FEAB biogenic CC(=O)Nc1cccc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)c1 36589920 GPKKQDPQIOLIKJ-MRXNPFEDSA-N 366.377 2.374 0 40 FEAB biogenic O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cccc2nccnc12 617703101 AVVNOZJYSHLZFM-KRWDZBQOSA-N 362.433 2.126 0 40 FEAB Cc1ncoc1C(=O)N1CC(F)(F)C[C@]2(CCN(CC(C)C)C2=O)C1 585093178 HOUHKGWKXMQLJU-MRXNPFEDSA-N 355.385 2.339 0 40 FEAB O=C(c1cnc(C2CCNCC2)[nH]1)N1CC[C@H](Oc2cccc(F)c2)C1 685942103 LEVSHHAWMZJCNO-INIZCTEOSA-N 358.417 2.309 0 40 FEAB CC(C)NC(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775963789 CNZVFJHONXCIHC-HNNXBMFYSA-N 371.441 2.183 0 40 FEAB biogenic,in-vitro O=C(O)c1cc(S(=O)(=O)Nc2cccc3c2OCCO3)ccc1F 55685715 AAJGZKSNMQQNTD-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 5251009 YQBVDQBBFTZUFR-UHFFFAOYSA-N 365.389 2.237 0 40 FEAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)CC1 12252323 YXNAUFJXGZZLGG-UHFFFAOYSA-N 353.382 2.369 0 40 FEAB CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 13545952 KFGOFTHODYBSGM-MXJUQKIHSA-N 370.486 2.446 0 40 FEAB Cc1nnc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)s1 14120586 MEBHDASTUDJSKY-UHFFFAOYSA-N 351.413 2.024 0 40 FEAB O=S(=O)(c1ccccc1)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 19373596 SOAFPUNFQIPLFQ-CQSZACIVSA-N 356.407 2.310 0 40 FEAB Cc1[nH]c2nc(CC(=O)N[C@@H](C)CCCc3ccccc3)nn2c(=O)c1C 19576967 KFLXMCMCBRKZSN-ZDUSSCGKSA-N 367.453 2.105 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19577642 ZMIBZYFBZYLWTR-BXUZGUMPSA-N 358.417 2.406 0 40 FEAB C[C@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 19933887 WYALPEWNSQIADL-HNNXBMFYSA-N 350.484 2.484 0 40 FEAB CCn1nccc1C(=O)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223952 ITMGQPXJZLTXSM-LJQANCHMSA-N 354.458 2.216 0 40 FEAB C[C@@]1(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)CC=CCC1 1565545385 HLOZITVTUBPRFG-ZFCANOHDSA-N 370.453 2.168 0 40 FEAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908653 HIAPGXAUQMULBX-UHFFFAOYSA-N 367.449 2.459 0 40 FEAB Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)no1 4327164 ZZTOBJZJCFAUNW-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)C1(c2ccc(F)cc2)CC1 244986324 JQGABWJNDWYMEE-MRXNPFEDSA-N 357.381 2.478 0 40 FEAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1 4971830 BTRBOYNCMPFRNH-UHFFFAOYSA-N 368.372 2.199 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(-n2cnnn2)cc1 30479709 QODBQELXNYDENX-UHFFFAOYSA-N 362.393 2.151 0 40 FEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 40118615 SDSVGDBOXWQEDO-LBPRGKRZSA-N 356.220 2.195 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cc(-n3cnnn3)ccc2C)n1 40120598 BODNWJFKSJLNSV-LBPRGKRZSA-N 368.445 2.242 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1ccnc(N2CCOCC2)c1 20624465 UYSPISRVSSDXAK-UHFFFAOYSA-N 350.422 2.372 0 40 FEAB C[C@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1 32594131 LFOJNGIROQSJIA-MRXNPFEDSA-N 360.479 2.353 0 40 FEAB CCN1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 32815754 RDEAZPFQJATPCK-VIFPVBQESA-N 358.179 2.098 0 40 FEAB O=C1N=C(NOCCc2ccccc2)C[C@H](NOCCc2ccccc2)N1 2033591 XEKOJJQJGVAFJN-SFHVURJKSA-N 368.437 2.352 0 40 FEAB CC(C)N1C(=O)C(=O)N(CN(C)Cc2ccc(Br)cc2)C1=O 23641252 IBDAAWRWFRYWOC-UHFFFAOYSA-N 368.231 2.038 0 40 FEAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3459742 LQGNPDMCTKLTEV-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB O=S(=O)(c1ccc(N2CCN(c3ccccc3)CC2)nc1)N1CCCC1 12546975 BSWGGAVMJPOKGS-UHFFFAOYSA-N 372.494 2.193 0 40 FEAB NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCC2 6883751 QSRFVMFVNYASKJ-VOTSOKGWSA-N 361.448 2.455 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cc(Br)cs2)s1 6943070 DIVVVEQYUXYLAV-NPPOFJFTSA-N 372.309 2.485 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1C(F)(F)F 106173950 YWARXHPSMHYCMT-GHMZBOCLSA-N 364.389 2.288 0 40 FEAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8571326 KUWSNGBAIWBAEY-UHFFFAOYSA-N 364.357 2.220 0 40 FEAB COc1cccc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 25227590 FRHPAWFXDZIVNR-UHFFFAOYSA-N 356.397 2.361 0 40 FEAB Cc1nc(C)c([C@H](C)NC(=O)NCCNC(=O)c2ccccc2O)s1 56744635 QYBDABZCFZZDOB-NSHDSACASA-N 362.455 2.256 0 40 FEAB O=C(NCCOc1ccc(Cl)cc1)[C@H](Cc1ccccc1)n1cnnn1 26052958 OHGVZUKNOVHKJP-KRWDZBQOSA-N 371.828 2.306 0 40 FEAB O=C([C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1)N1CCOCC1 108057075 BDBDPFAYWDBJTF-FPXQBCRKSA-N 370.449 2.076 0 40 FEAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCC[C@H]1CCc1ccccc1 57324047 QSFGFCTXOGSCIR-HNNXBMFYSA-N 364.405 2.261 0 40 FEAB CCCn1c(SCC(=O)N(C)Cc2ccc(OCC)cc2)n[nH]c1=O 9054161 WBZZSKKXGYEWSO-UHFFFAOYSA-N 364.471 2.131 0 40 FEAB C[C@H]1CN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@@H](C)O1 12635948 XUFNUSDPUIGUQX-ZNMIVQPWSA-N 373.449 2.131 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 9878678 SFKGLQXZBMZKDH-SFHVURJKSA-N 373.478 2.327 0 40 FEAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)NCc3ccco3)CC2)c(F)c1 95401340 VODKGMJNFWOTPB-AWEZNQCLSA-N 373.428 2.448 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 20949744 NIABAEUERYYATP-INIZCTEOSA-N 366.845 2.030 0 40 FEAB Cc1nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)nn1-c1ccc(Cl)cc1 10268626 JCQVKWVYNTUEFA-OAHLLOKOSA-N 369.812 2.186 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N1CCc2ccccc2C1 58358208 BMEMXZYQBKRAIM-KRWDZBQOSA-N 374.462 2.061 0 40 FEAB CS(=O)(=O)c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccn12 58367448 OZEOGAREMASOSZ-UHFFFAOYSA-N 373.478 2.436 0 40 FEAB COc1cc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)ccc1C 50821643 NJHWTGAKBCANGZ-AWEZNQCLSA-N 363.439 2.120 0 40 FEAB CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 107955158 DLHBPAMJOQLLGR-UHFFFAOYSA-N 352.387 2.385 0 40 FEAB COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)cc1Cl 12808237 KOEJECAJQRGTCV-LBPRGKRZSA-N 365.861 2.230 0 40 FEAB COc1cccc(CC(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)c1 11708447 QIROQCSVPKGYLL-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccnn1C)CC[C@H](C)C3 2778753 OBAHMAUYRUAHIR-VIFPVBQESA-N 357.439 2.009 0 40 FEAB O=C(O)C[C@@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(F)cc1 13182961 QIEPSVCBRWDWPA-RYUDHWBXSA-N 362.386 2.470 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38848799 PVCKZKLDNRLSKJ-SFHVURJKSA-N 374.462 2.229 0 40 FEAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1 4301685 TUZISPYXVRGKAU-UHFFFAOYSA-N 360.417 2.457 0 40 FEAB CC(=O)Nc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 4350193 MWFRWPWGFJSWOL-IBGZPJMESA-N 354.406 2.340 0 40 FEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cn1 6349107 OFWOISOTIMZBIJ-UHFFFAOYSA-N 368.162 2.482 0 40 FEAB CCCN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 14141672 HHXVNTBMWPKAIA-CQSZACIVSA-N 366.512 2.464 0 40 FEAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 14180604 DAMOEZBLXZDEBL-OXJNMPFZSA-N 372.396 2.341 0 40 FEAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)cc1 6899869 GXCJMDTXKMLXPQ-CYBMUJFWSA-N 369.450 2.468 0 40 FEAB CCCn1nnnc1COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 7021852 OLXGQEMQGNZACL-UHFFFAOYSA-N 372.429 2.070 0 40 FEAB COc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1S(=O)(=O)N(C)C 67504222 OQNRSQWLMWUTFS-CVEARBPZSA-N 374.462 2.231 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2O1 7254123 TXFWYIQQBIOQAZ-LJQANCHMSA-N 365.433 2.127 0 40 FEAB O=S(=O)(Cc1ccccc1CNCc1cccs1)N1CCOCC1 67693176 XWVMWSGXBGKFPM-UHFFFAOYSA-N 366.508 2.200 0 40 FEAB CCOc1ccccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858552 NRSJUXMRBHOYLI-UHFFFAOYSA-N 374.418 2.404 0 40 FEAB CCn1c(SCC(=O)N2CCN(c3ccccn3)CC2)nnc1C1CC1 7533896 MVFNQGWRTMXYRG-UHFFFAOYSA-N 372.498 2.011 0 40 FEAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)c1 7757625 VIGFVZLGRZMTQO-UHFFFAOYSA-N 372.406 2.173 0 40 FEAB Nc1c(C(=O)COc2ccc(Cl)cc2Cl)c(=O)[nH]c(=O)n1C1CC1 8536814 FPUIGMJMPMNNLV-UHFFFAOYSA-N 370.192 2.022 0 40 FEAB CC(=O)N1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 21822541 UTPXULZEYCWQBQ-UHFFFAOYSA-N 368.462 2.087 0 40 FEAB COC(=O)[C@H](C(C)C)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 75092799 DVZCDQSNHXFJEK-HNNXBMFYSA-N 356.825 2.435 0 40 FEAB Cc1ccn(-c2ccccc2CNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)n1 556574744 ZNNYIQNORXHSFR-RNIPGJKVSA-N 350.422 2.276 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C(=O)O)c1cccs1 548197972 RWFUOTBRQBDHHR-GFCCVEGCSA-N 357.457 2.247 0 40 FEAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H]3CCn4ccnc4C3)n2)n1 548310589 CXLNEBKNZYGYLT-CYBMUJFWSA-N 370.844 2.479 0 40 FEAB CCc1ccc(CN(C2CC2)S(=O)(=O)c2c(C(=O)O)cnn2C)cc1 530150347 SCUTVJPMADASFR-UHFFFAOYSA-N 363.439 2.034 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217526029 BFTSIOPTFTZDCP-OCCSQVGLSA-N 370.471 2.443 0 40 FEAB COc1ccc(Cc2nc([C@@H]3CCS(=O)(=O)C3)no2)cc1OC(F)F 528097086 JVOFMHDPOVKLIA-SNVBAGLBSA-N 374.365 2.173 0 40 FEAB Cc1nn2c(nnc3c(=O)n([C@H](C)C(=O)O)ccc32)c1-c1ccc(F)cc1 40391952 WSTGZQJPCUKXCC-SNVBAGLBSA-N 367.340 2.199 0 40 FEAB CC(C)C(NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(C)C 225078086 FTWIMGIKYBIIHN-UHFFFAOYSA-N 352.456 2.299 0 40 FEAB CC(C)Nc1nc(-c2cnn(C)c2)nc2c1CN(C(=O)c1ccco1)CC2 96254307 QYRIRDPJRDJAOV-UHFFFAOYSA-N 366.425 2.489 0 40 FEAB CC[C@@H](C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)N1CCO[C@H](CC)C1 332274564 IBYDMPHMYBCMMO-QYZOEREBSA-N 373.497 2.140 0 40 FEAB COC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1c1ncccn1 96240388 KSNRNIPGIDCPFV-OAHLLOKOSA-N 359.499 2.441 0 40 FEAB COc1ncccc1C(=O)N1Cc2ncn(C)c2[C@H](COCC(C)C)C1 96044856 IQJUNFWERCIBJX-AWEZNQCLSA-N 358.442 2.236 0 40 FEAB Cc1nc(NC(=O)CN2CCCC[C@@H](O)C2=O)sc1Cc1ccccc1 585088637 RPGJISDTBRXFCT-OAHLLOKOSA-N 373.478 2.354 0 40 FEAB CN(C)S(=O)(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257339765 ZDBWYAWQAAGNAV-SRABZTEZSA-N 366.483 2.185 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257296706 REAMULLVOIYWNM-CQSZACIVSA-N 367.446 2.390 0 40 FEAB CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2S(=O)(=O)c1cn[nH]c1 257200435 ADIAWPNGYPAPIJ-OKZBNKHCSA-N 360.483 2.398 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257343126 ZROKARCOFBPYGP-ROUUACIJSA-N 359.426 2.050 0 40 FEAB CNc1cc(CC[C@@H]2CN(C(=O)c3cccnc3OC)CCO2)ccn1 257314337 UWNMOPXDZPEHCY-OAHLLOKOSA-N 356.426 2.001 0 40 FEAB Cc1cncc([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257285762 PISOFZCQNZOCLF-AWEZNQCLSA-N 352.394 2.250 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H](c2cccs2)C1 268494570 QUEKTEHFJMCMHS-LBPRGKRZSA-N 361.448 2.120 0 40 FEAB O=C(O)c1cnc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 263237698 DHTNAOZFIRVUKG-CQSZACIVSA-N 359.357 2.135 0 40 FEAB CCn1cnnc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 285570707 AGIKAPOJQNAJBY-UHFFFAOYSA-N 367.409 2.479 0 40 FEAB COc1cccc2c1CN(C(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1)C2 624209168 RVFVBCDMXVTRQY-SCLBCKFNSA-N 356.426 2.232 0 40 FEAB c1cnc(-c2ccnc(NCC3CCN(C4CCOCC4)CC3)n2)cn1 664152313 CPPAYZWIOYOHQS-UHFFFAOYSA-N 354.458 2.237 0 40 FEAB C[C@@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1nnc2n1CCC2 1252024682 IDTDRWDOOLYPPC-CYBMUJFWSA-N 372.448 2.393 0 40 FEAB Cc1ccc(C(=O)CCC(=O)N2[C@H]3CCO[C@H]3C[C@@H]2C(=O)N(C)C)cc1C 1775960964 JXRWXBGTVRMNLR-SCTDSRPQSA-N 372.465 2.113 0 40 FEAB O=C(CSCc1ccccc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122063 PIJUTZMIOZYRIP-UHFFFAOYSA-N 365.476 2.339 0 40 FEAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 575404163 QDFXADGHXGQCDG-HNNXBMFYSA-N 360.483 2.233 0 40 FEAB Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)c1 585275795 HGFDLODDQKDREL-FQEVSTJZSA-N 353.422 2.318 0 40 FEAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 585101056 ADFVIUDOWRNASY-UHFFFAOYSA-N 373.428 2.174 0 40 FEAB O=C(CNc1ccccc1N1CCCCCC1)NCC(=O)N1CCCC1 58216192 NGRQVQPJCKXTBG-UHFFFAOYSA-N 358.486 2.218 0 40 FEAB O=C(Cn1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1)NC1CC1 59886490 RCZKQNATDMVMPB-UHFFFAOYSA-N 358.829 2.485 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CN2CCC3(CCCCCC3)C2)c1 75105997 TWJPDORJAPOQBR-UHFFFAOYSA-N 365.499 2.319 0 40 FEAB CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120104 DBXPANMIHDFFLP-MRXNPFEDSA-N 366.483 2.002 0 40 FEAB O=C(Cc1cccs1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615127515 QNXZTBBIQPVSFZ-LJQANCHMSA-N 356.447 2.325 0 40 FEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 5649963 OOFARBRHWMUVAB-NBMJBFSESA-N 354.450 2.290 0 40 FEAB C[C@H](OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1ccc(F)cc1 5876836 ZNOWNILSWVUJDV-GDKCJGSASA-N 366.414 2.150 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)Cn3nnc4ccccc4c3=O)sc2C1 11448791 DMKWOELRPOZBCD-SNVBAGLBSA-N 355.423 2.012 0 40 FEAB COc1cc(C(=O)N2CCC(O)(c3ccccn3)CC2)cc(OC)c1OC 12114455 FNWQMDQLXGBYDZ-UHFFFAOYSA-N 372.421 2.231 0 40 FEAB O=C(c1cccs1)N1CCC2(CC1)C[C@](O)(c1nccs1)CO2 12119039 BLMZYRIOQCYCSW-MRXNPFEDSA-N 350.465 2.488 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CC)cc1Cl 16610203 DEBPSWOJTIJGMP-LLVKDONJSA-N 362.879 2.274 0 40 FEAB CSc1nnc([C@H]2CCCN2C(=O)[C@@H](C)Cn2cc(Cl)cn2)n1C 19457328 SYDCIOSZKVUUOK-CMPLNLGQSA-N 368.894 2.387 0 40 FEAB O=C(c1cscn1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888843185 YHIZTUBWCKQWKQ-UWVGGRQHSA-N 369.372 2.160 0 40 FEAB COC1CN(c2ccc(NS(=O)(=O)CCOc3ccccc3)cc2)C1 240178558 ZAAPKWMRXRXMHI-UHFFFAOYSA-N 362.451 2.342 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@]2(CCN(C(=O)c4csnn4)C2)CO3)cn1 1565554075 JIYNJRGIQLCRDZ-SFHVURJKSA-N 367.434 2.115 0 40 FEAB CCOC(=O)[C@](NC(=O)Nc1cccnc1Cl)(OC)C(F)(F)F 2613143 JZVCAJIZOJEWBC-NSHDSACASA-N 355.700 2.325 0 40 FEAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccc(F)cc1 12440676 ZWFUMPNJPVFNRF-UHFFFAOYSA-N 367.398 2.443 0 40 FEAB Cc1cc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n2nccc2n1 1775974176 XRCKTYQAVDUTHL-UHFFFAOYSA-N 351.458 2.452 0 40 FEAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cccnc2)cnn1-c1ccccc1 19374441 SJYVEWYNLAIKKX-QGZVFWFLSA-N 361.405 2.337 0 40 FEAB COc1ccc(CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C2CC2)c(OC)c1 40074073 BSDFKQYTKJSPPM-HNNXBMFYSA-N 360.454 2.452 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1C 40110867 DWGVKHWVHRMWJK-IBGZPJMESA-N 368.393 2.141 0 40 FEAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102043455 VCQPJDVXBKOSTO-AAEUAGOBSA-N 361.467 2.300 0 40 FEAB CCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)cc1 32891627 QVVHCDNFKSEMSL-MRXNPFEDSA-N 369.469 2.020 0 40 FEAB COCCN(CCCN(C)C)S(=O)(=O)c1ccc2ccccc2c1 32916536 WDOBQAILNXPGRV-UHFFFAOYSA-N 350.484 2.429 0 40 FEAB Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 22557222 IXJWHUOHKDQRJQ-KGLIPLIRSA-N 370.405 2.432 0 40 FEAB CC(C)S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 53645884 CQOFIGKLSIGMRS-UHFFFAOYSA-N 350.484 2.022 0 40 FEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 797055 RFACFTLCBHJGOX-ZDUSSCGKSA-N 354.472 2.011 0 40 FEAB CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccc(F)c1 79112634 QSWSMFXFLXIFEN-UHFFFAOYSA-N 358.435 2.456 0 40 FEAB COc1cc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)on1 79485008 OACYBURMQHJKKZ-UHFFFAOYSA-N 354.366 2.219 0 40 FEAB CCOC(=O)C(CCCCC(C(=O)OCC)C(=O)OCC)C(=O)OCC 4240893 NABJDVPVORXWSY-UHFFFAOYSA-N 374.430 2.032 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 56073254 TXUAZBSGTIARKT-SECBINFHSA-N 366.361 2.003 0 40 FEAB OCCN(CCO)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc12 8581566 KLZVGZMQXSTUEZ-OAQYLSRUSA-N 352.434 2.222 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Br)c[nH]2)c1 25239207 JYUSYASRTVKCFP-UHFFFAOYSA-N 372.244 2.079 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2nc(C3CC3)no2)C1 55706270 PXKCMPIORKZKNQ-LBPRGKRZSA-N 350.419 2.210 0 40 FEAB CNC(=O)c1cccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1 25321105 DZPWBZKPRQRZIC-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)no4)CC3)n2)cc1 12764061 HEXDNSUYXDWAQU-UHFFFAOYSA-N 367.409 2.299 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)CCCc2cccs2)cc1 27568051 KFMIJRUZNOHZIS-UHFFFAOYSA-N 369.464 2.340 0 40 FEAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccccc1F 27672985 GGIUCUBJMOTQBQ-UHFFFAOYSA-N 374.397 2.220 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2cccs2)c1 27625606 WCEPMWRZXBLLTG-UHFFFAOYSA-N 352.481 2.350 0 40 FEAB CN(C)CCn1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cn1 58268128 IQYPBTGKHHQSGV-GOSISDBHSA-N 358.442 2.255 0 40 FEAB CCCn1c(=O)n(CC(=O)NCCCN2CCC(C)CC2)c2ccccc21 28069551 KNJRUBVTGDHUKD-UHFFFAOYSA-N 372.513 2.451 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2nncn2C2CC2)[C@@H]1C 10648965 SWWCSHAIKPAPFQ-NQBHXWOUSA-N 351.476 2.356 0 40 FEAB CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cn1 48362859 UHZBXUCKWNGWSN-CQSZACIVSA-N 372.856 2.470 0 40 FEAB O=C(NCc1cccnc1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36359280 KYLNGXMLTUCYPU-UHFFFAOYSA-N 360.373 2.363 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3CC)C2=O)CC1 104278554 HBKIQLFZSSQYKL-KRWDZBQOSA-N 358.438 2.156 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(C)nc2ccccc21 21303719 JRBYMRQNQUJCFN-KRWDZBQOSA-N 351.406 2.245 0 40 FEAB O=C(C1CC1)N1C[C@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 306132461 LJYGKHLWJIPYFA-ZWKOTPCHSA-N 353.397 2.445 0 40 FEAB Cc1coc2cc3oc(=O)c(CC(=O)N4CCN(C)CC4)c(C)c3cc12 13692959 AFUWOCICEVCPKJ-UHFFFAOYSA-N 354.406 2.473 0 40 FEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(C)c1 13843135 PAIPWHIFNKDBKG-UHFFFAOYSA-N 354.472 2.121 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 4592932 UDMZIZQOKPBLNY-IKGGRYGDSA-N 356.422 2.275 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1 9338381 HSIASBSDWWPDHM-UHFFFAOYSA-N 355.393 2.122 0 40 FEAB COC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 14675078 MGHVMBZKMFUGFX-UHFFFAOYSA-N 373.748 2.470 0 40 FEAB Cc1cc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)n2ncnc2n1 66387982 UJMITKFPFJZRNR-LBPRGKRZSA-N 367.331 2.303 0 40 FEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCC[C@H](C)C2)C1=O 5797807 RGIPEQUGHAEXDM-XOBRGWDASA-N 373.453 2.111 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 16015375 XDBXYTXRYQVHLF-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCNC3=O)c2C1 8007966 GOIIKNXWRIAQDX-GFCCVEGCSA-N 367.405 2.068 0 40 FEAB O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCCCCC1 8339948 NYAVDKOQEWKLFH-UHFFFAOYSA-N 354.458 2.281 0 40 FEAB 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 21983619 PIDANAQULIKBQS-OZCCCYNHSA-N 372.461 2.012 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(F)ccc1F 9899034 GYKNVBCCLCQDMA-UHFFFAOYSA-N 354.378 2.145 0 40 FEAB CC(C)[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 68682547 FRMSMMBUEPOYJZ-LBPRGKRZSA-N 374.890 2.135 0 40 FEAB COc1cccc(Nc2nnc(CC(=O)N3CCSCC3)s2)c1 62007178 MXHQBPQSCCNKTH-UHFFFAOYSA-N 350.469 2.408 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 306137913 RJYUXWCFTXIZMT-QGZVFWFLSA-N 359.470 2.255 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1 216406710 WZSFRMZFHVCKHT-OAHLLOKOSA-N 361.467 2.297 0 40 FEAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610373 TWXYLOLRFBUGNO-KGLIPLIRSA-N 356.488 2.365 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 72373840 XJEMLOOEGQWWKS-HNNXBMFYSA-N 368.485 2.229 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32123878 QOGPHNDDALQCOS-INIZCTEOSA-N 366.377 2.374 0 40 FEAB biogenic CCS(=O)(=O)N1C[C@H](C(=O)N(C)C2CCCCC2)Oc2ccccc21 30858180 GYMZJAJDSVZIDL-QGZVFWFLSA-N 366.483 2.395 0 40 FEAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 224195166 VKJJXPSQDNHXKY-UHFFFAOYSA-N 361.254 2.328 0 40 FEAB COC(=O)c1ccc(Cl)c(NC(=S)NCCN2CCCC2=O)c1 225812274 LDAFEYRDEFISKS-UHFFFAOYSA-N 355.847 2.035 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 231644020 JMAYTTKKIKIUGQ-MMQJMDILSA-N 364.467 2.116 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCc2cnn(C)c2)cc1 583616175 RWMACCQHLPWPJB-AZUAARDMSA-N 357.454 2.260 0 40 FEAB Cc1nc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cs1 96049008 QTVRMQKXMCBGBN-UHFFFAOYSA-N 363.462 2.252 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95480443 SLKGIOZANGTQDS-AWEZNQCLSA-N 366.396 2.414 0 40 FEAB O=C(/C=C\c1cccs1)NCc1nnc2ccc(N3CCCC3)nn12 253474180 CNRKWBUCABMPQV-YVMONPNESA-N 354.439 2.116 0 40 FEAB Cc1ccc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)cn1 257342292 ZOABRSGOPXXAKE-NRFANRHFSA-N 351.450 2.025 0 40 FEAB COCC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2cncc(C(=O)O)c2)n1 257242697 IDSKTJRHWIYELB-INIZCTEOSA-N 370.409 2.245 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3C(=O)C3CCCC3)ccnc12 257332626 XYBSBQCQMKKIKK-HNNXBMFYSA-N 355.442 2.285 0 40 FEAB O=C(c1cccc(OC(F)(F)F)c1)N1CCC(N2C(=O)COC2=O)CC1 253401912 NSAXZLYKHLUYJU-UHFFFAOYSA-N 372.299 2.169 0 40 FEAB COc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 260793245 LYXXOVREFLBQHB-CQSZACIVSA-N 366.483 2.466 0 40 FEAB Cc1oc(-c2ccsc2)nc1CN1Cc2nnc(C)n2C[C@@H]1C(=O)O 455634164 HAHVUNDLWUECEV-CYBMUJFWSA-N 359.411 2.080 0 40 FEAB C[C@@H](N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)c1cncc(F)c1 1775959211 LWOAOUDAHNHKKQ-XHBKTUGNSA-N 357.433 2.500 0 40 FEAB COc1ccc(CCNC(=O)NCCn2ccc(-c3ccccn3)n2)cc1 96098944 VFNUTHXXJZBUGI-UHFFFAOYSA-N 365.437 2.496 0 40 FEAB Cn1ccc2c(C(=O)N3CCCC[C@H]3c3n[nH]cc3C(N)=O)cccc21 685941408 BDCXVXZRBRKTOJ-INIZCTEOSA-N 351.410 2.368 0 40 FEAB CCN(C1CC1)S(=O)(=O)c1cc(C(=O)O)sc1Br 37079555 LMABXUDWXCETFL-UHFFFAOYSA-N 354.247 2.382 0 40 FEAB COc1ccccc1OCC(=O)N1CCN(Cc2c(C)noc2C)CC1 44448781 IZGAKSUDJQEZOK-UHFFFAOYSA-N 359.426 2.023 0 40 FEAB O=C(c1ccc(O)nc1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565522339 NBAXJINDVVEUCC-UHFFFAOYSA-N 354.410 2.386 0 40 FEAB COc1ccc2nccc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1 891666119 MOJYRNGXTIBLEA-OAHLLOKOSA-N 355.438 2.319 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(C[C@H]3CC=CCC3)C2)c2nccnc21 19021548 HORUMCVFBISZSI-IRXDYDNUSA-N 368.485 2.108 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3C(=O)CC3CCCCC3)n2CC1 19706382 NPOXPVLKGDGQTE-KRWDZBQOSA-N 373.501 2.317 0 40 FEAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 19936649 ACHBBEJMTYDOIV-LLVKDONJSA-N 362.407 2.180 0 40 FEAB Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)cnn1-c1ccccc1 101117264 FYVNAUFMJBGVKG-HOTGVXAUSA-N 373.478 2.361 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1 28201286 SSXAMLMMAMPIID-UHFFFAOYSA-N 372.469 2.389 0 40 FEAB O=C(c1cscn1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888843184 YHIZTUBWCKQWKQ-NXEZZACHSA-N 369.372 2.160 0 40 FEAB CN(Cc1nc2ccccc2s1)Cn1nnn(-c2cccs2)c1=O 23851470 DXCHTQYWIBFHOU-UHFFFAOYSA-N 358.452 2.190 0 40 FEAB CCn1cc(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037981152 WZXJEBITXHJKRW-FQEVSTJZSA-N 354.454 2.159 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)c3csc(C)n3)C1)CC2 1565555159 UVLOKNOIIIYPRK-GOSISDBHSA-N 358.467 2.185 0 40 FEAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 4166242 WLVRUPMGGWTCTQ-UHFFFAOYSA-N 369.425 2.385 0 40 FEAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccccc3)o2)cc1 5240654 NVKCZXYGRIXIKQ-UHFFFAOYSA-N 357.391 2.321 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 5250705 KNYLRHBHRBRCDN-UHFFFAOYSA-N 372.493 2.479 0 40 FEAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccco1 11693870 UOHYIQIAXXJOTF-UHFFFAOYSA-N 367.340 2.332 0 40 FEAB CCCn1c(S)nc2cc(C(=O)NCCN(CC)CC)ccc2c1=O 20645260 OPXLNLIEYIQNKP-UHFFFAOYSA-N 362.499 2.167 0 40 FEAB COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(F)cc(F)c21 101337888 FTHKFEBIMSWXRV-SDXDJHTJSA-N 352.366 2.102 0 40 FEAB Cn1cc(-c2ccc(CNC(=O)c3cc(-c4cccnc4)on3)cn2)cn1 575617183 SZSIVXSNIFJZMS-UHFFFAOYSA-N 360.377 2.462 0 40 FEAB Cc1noc(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 40106808 QMODRGLKCMQPPB-BETUJISGSA-N 358.442 2.159 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 40143131 JEUHYNGDMMZQFP-LBPRGKRZSA-N 367.380 2.274 0 40 FEAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 32095856 VZTDDUDXCHUNKJ-SFHVURJKSA-N 369.425 2.111 0 40 FEAB O=C(NCCCn1ccnc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612507 PEPSHQGNRHWMCO-UHFFFAOYSA-N 358.417 2.081 0 40 FEAB Cc1cccc2sc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12 101587586 AWCQWAIIMKDLAK-VXGBXAGGSA-N 355.419 2.494 0 40 FEAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(c2nccs2)CC1 21472657 VXIKEFOIZIDKPW-UHFFFAOYSA-N 369.450 2.475 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102429143 UQSDRBXQJZPBMZ-BETUJISGSA-N 360.410 2.166 0 40 FEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c2cccnc12 53513481 MYTIVHKPLTVSLT-RYUDHWBXSA-N 361.829 2.379 0 40 FEAB Cn1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1=O 79307833 XIVJSJLJTGJJSV-UHFFFAOYSA-N 364.757 2.441 0 40 FEAB CCc1nnsc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 54573933 WGUSIVGLKBJSIX-UHFFFAOYSA-N 373.526 2.433 0 40 FEAB Cc1ccc(CNC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1 4945365 ODVCZUDAWATLKQ-UHFFFAOYSA-N 361.448 2.407 0 40 FEAB CCCCn1c(S[C@H](C)C(=O)OC)nc2cc(S(N)(=O)=O)ccc21 7807392 PEZXPSFJIMIBCX-SNVBAGLBSA-N 371.484 2.137 0 40 FEAB Cc1ccc(C(N)=O)c(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 24879374 ODPPNZBGVYVADN-UHFFFAOYSA-N 367.405 2.238 0 40 FEAB Cc1ncccc1C(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119210 ZUDUTHMORXJNFY-GJZGRUSLSA-N 360.417 2.329 0 40 FEAB CC(C)Cn1nccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 8427853 XDMGGLMAQFACAT-UHFFFAOYSA-N 350.444 2.042 0 40 FEAB CCc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 8497467 ATQRELOMVBJUFJ-HNNXBMFYSA-N 359.513 2.083 0 40 FEAB Cc1ccc(NC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 8747458 JTRWIHVFNCUIPC-CYBMUJFWSA-N 359.451 2.032 0 40 FEAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 44121199 ALJGSLLYRYYUQU-QGZVFWFLSA-N 368.437 2.248 0 40 FEAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 100690709 PBJPAKOPDJDHSZ-MKXGPGLRSA-N 373.412 2.263 0 40 FEAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 107738716 GDCUUKRFJQTSOK-CRAIPNDOSA-N 352.500 2.336 0 40 FEAB C[C@H](NS(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 58154412 ZXJDOWIJHDDIMT-MEDUHNTESA-N 369.439 2.335 0 40 FEAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 12777842 MMVLVHMNYMAZMC-QGZVFWFLSA-N 368.481 2.336 0 40 FEAB CC[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2113038 HWZFRSHCTCVURL-GFCCVEGCSA-N 367.785 2.372 0 40 FEAB biogenic Nc1nc(COC(=O)c2ccc(N3CCOCC3)cc2)nc2ccccc12 58386103 ZBKXVKWQLXOVTH-UHFFFAOYSA-N 364.405 2.406 0 40 FEAB Cc1ccc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c(O)c1 45293897 VMBJPIJACNRHAP-UHFFFAOYSA-N 353.378 2.405 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c1 36384569 QKQOEFZKCVWCMU-UHFFFAOYSA-N 359.495 2.247 0 40 FEAB CC(C)(C)c1nnc(NC(=O)CCCn2nnc3ccccc3c2=O)s1 36354651 CXZWPUKPJSEZLB-UHFFFAOYSA-N 372.454 2.359 0 40 FEAB COC(=O)[C@](O)(c1ccc(N(C)C(=O)c2ccco2)cc1)C(F)(F)F 2311519 FRBNLYWPQRQFRP-OAHLLOKOSA-N 357.284 2.479 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)/N=c1/sccn1C 102782179 OMSKWINHQXXGEW-SLPQINIESA-N 374.285 2.156 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(C)C)C2)cc1 53272944 LMPRZNLROYOGNI-HUUCEWRRSA-N 368.499 2.257 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)NCCc2c(F)cccc2F)C1=O 46732086 FEWXJYCDEXTLLH-GFCCVEGCSA-N 360.360 2.438 0 40 FEAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 22271873 PCASVYSCWVVPLP-AWEZNQCLSA-N 362.451 2.193 0 40 FEAB Cc1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 12949142 MVBNOYWGBTYAHL-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn3cccnc23)c1 12942057 NKPJQLLTDWZEFI-UHFFFAOYSA-N 373.438 2.012 0 40 FEAB NC(=O)c1ccccc1COC(=O)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 96013419 PCTVIWPXLRJTAC-SNVBAGLBSA-N 367.327 2.307 0 40 FEAB COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 6055845 YZMOJYKHMZRRMQ-UHFFFAOYSA-N 370.405 2.224 0 40 FEAB CCOc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NC(C)C 408701220 UNCHKJUYUJONGJ-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB O=C(COCCOc1ccccc1)NC1CCN(c2ccccn2)CC1 49766969 AJOROLKLYVSWRL-UHFFFAOYSA-N 355.438 2.262 0 40 FEAB CCOC(=O)Cc1ccc(CC(C)(C(=O)OCC)C(=O)OCC)cc1 22056973 AIAVVZYCFNHAQF-UHFFFAOYSA-N 350.411 2.467 0 40 FEAB in-vitro COc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c(OC)c1OC 6381682 OYKARKOLEWGYHH-UHFFFAOYSA-N 371.345 2.123 0 40 FEAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2ccccc2c1 14060938 DOWXALRFIGCZKN-ZDUSSCGKSA-N 361.405 2.161 0 40 FEAB O=C(Cn1c(=O)c2ccccc2n2nncc12)NCc1ccccc1Cl 4569865 JSOLKLJFONNOIO-UHFFFAOYSA-N 367.796 2.014 0 40 FEAB COc1ccc2nc(C)c(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2c1 9336275 NZOYLTIPXREEBS-HNNXBMFYSA-N 358.394 2.004 0 40 FEAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 6790884 PUKKPBVGLLIPFT-UHFFFAOYSA-N 351.410 2.103 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1OC 15444118 WTFUBLVYTIBXQS-SNVBAGLBSA-N 372.263 2.124 0 40 FEAB Cn1nnnc1S[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 19926752 VTYIXFRTDVZDPR-OAHLLOKOSA-N 357.414 2.499 0 40 FEAB COc1ccc(OC)c(CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 69568297 JSGJLSWWMZISKD-UHFFFAOYSA-N 369.421 2.466 0 40 FEAB COc1cccc(CC(=O)N2CCc3c(sc4ncnc(N)c34)C2)c1 8720792 HABTUBGCZIEVPZ-UHFFFAOYSA-N 354.435 2.410 0 40 FEAB NC(=O)CC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 92660701 DUFOIEYSSYRKAN-CQSZACIVSA-N 370.453 2.325 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9957823 OBACKABKQMHCOF-UHFFFAOYSA-N 351.414 2.207 0 40 FEAB Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1 20244546 QAVRFTJDALYLGU-UHFFFAOYSA-N 367.515 2.365 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](C(=O)O)c1cccs1 548197973 RWFUOTBRQBDHHR-LBPRGKRZSA-N 357.457 2.247 0 40 FEAB CC(C)n1nc(O)c2c(-c3ccc(C(=O)O)cc3)c3c(nc21)[nH]c(=O)n3C 79479854 XCNOKPVKTWPRDO-UHFFFAOYSA-N 367.365 2.263 0 40 FEAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(CCCc1ccccc1)C2 72380180 CWCFWQDEANFKQT-GOSISDBHSA-N 353.470 2.410 0 40 FEAB N[C@@H]1CC[C@@H]2CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]21 564570915 HXOOJMKJTKILSU-MPESAESLSA-N 353.388 2.480 0 40 FEAB C[C@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@]2(CCO[C@H](C)C2)O1 570918616 ISMMYHMJZSNXIS-QEEYODRMSA-N 357.454 2.301 0 40 FEAB CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)[C@@H]2C(=O)CCC[C@]21O 229978642 JEPGYGKYYADGQF-VBQJREDUSA-N 354.353 2.432 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225105630 WCKPGJDTZGQOKJ-SNVBAGLBSA-N 354.457 2.176 0 40 FEAB O=C(CSC1CCCC1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225636705 WDCJDADHMQUDPL-HNNXBMFYSA-N 362.451 2.499 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96208794 QZBDSERUBSABBI-GOSISDBHSA-N 353.422 2.457 0 40 FEAB Cc1ccc(-c2nc(CC3CCN(C)CC3)no2)cc1N1CCNC1=O 95376393 COYXPNDXYWCSCA-UHFFFAOYSA-N 355.442 2.459 0 40 FEAB Cc1[nH]nc(C(C)C)c1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 583618967 NQPHEQIERXBPET-CYBMUJFWSA-N 358.446 2.231 0 40 FEAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)C(C)(C)C 96520196 DFXHIKFYLOSYII-HTRCEHHLSA-N 354.637 2.156 0 40 FEAB O=C(c1cccc(F)c1)N1CCn2nnc(COc3ccccn3)c2C1 96255988 MXHFBEFJHOWGKJ-UHFFFAOYSA-N 353.357 2.047 0 40 FEAB Cc1cnc(C(=O)N2CC[C@@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96215402 TZHZQZMWNSAPKZ-HXUWFJFHSA-N 358.486 2.140 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253589980 ARUMTAYSTDBRDZ-CPUXHMLJSA-N 372.465 2.484 0 40 FEAB Cc1ncsc1-c1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cn1 257315648 VCGSTMSLFRGBSD-UHFFFAOYSA-N 358.467 2.454 0 40 FEAB NC(=O)c1coc(CNC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)n1 1640268579 XPOSCKNZMZMJRX-UHFFFAOYSA-N 361.361 2.247 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(Cl)c3c(c2)OCO3)C1 1775957186 HTVIEJFTWNDDDU-CMPLNLGQSA-N 365.773 2.362 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c(C)c1 1775959040 ATIIDYNSGYTJPE-MFKMUULPSA-N 352.378 2.046 0 40 FEAB O=C(CN1CCC[C@](O)(COc2ccccc2)C1)NCc1ccccc1 585274564 WPMUCIGZMQWKFX-OAQYLSRUSA-N 354.450 2.209 0 40 FEAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585098011 QJKHUZBFQUUTOV-CYBMUJFWSA-N 356.426 2.213 0 40 FEAB Cc1cnc(C(=O)N2CCC[C@H]2c2cn3cccc3c(N(C)C)n2)cn1 585178755 HRODNCQYAXXMAV-INIZCTEOSA-N 350.426 2.476 0 40 FEAB CO[C@@]1(C(F)(F)F)CCCN(C(=O)C(=O)Nc2cccc(F)c2F)C1 682066047 CWKZNZJWZPXUFJ-AWEZNQCLSA-N 366.286 2.473 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)OCc2ccccc2)C1 83749804 KKRRFIHAVBPQQX-LSDHHAIUSA-N 350.415 2.141 0 40 FEAB Cc1ccc(NC(=O)c2cncnc2C2CC2)cc1C(=O)N1CCOCC1 582470413 OLLSPBGQLKNATQ-UHFFFAOYSA-N 366.421 2.387 0 40 FEAB Cc1c(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cnn1C 1615127720 GOERNFBABCRYSN-HXUWFJFHSA-N 372.444 2.266 0 40 FEAB CC[C@@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 5593274 VDOYQVVEAVPUFH-SNVBAGLBSA-N 352.378 2.386 0 40 FEAB Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)CN(C(=O)c1ccccc1)C2 19701383 QYHXUQBBVUEAJA-AWEZNQCLSA-N 367.434 2.255 0 40 FEAB Cc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1C(N)=O 19766631 UTHYWNKLSBGBSS-UHFFFAOYSA-N 352.438 2.223 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCc3[nH]c(C)nc3C1)CC2 163485393 OBLLVMKEMNEFLC-CQSZACIVSA-N 355.438 2.425 0 40 FEAB O=S(=O)(N1CCCC1)N1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 253614861 MBOAAEAOTDXYST-QYZOEREBSA-N 364.511 2.479 0 40 FEAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3cccnc3O)C2)nn1 1888849467 TYAYGQRSXMVPKG-ZDUSSCGKSA-N 356.426 2.416 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Br)cc1F 5781856 BTVLSFJXXAZCJP-SNVBAGLBSA-N 364.240 2.317 0 40 FEAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)nn1 1614948451 WOFLMJWMLCNFCG-SFHVURJKSA-N 362.449 2.123 0 40 FEAB COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC 4121543 ZWJSBLZCEJULON-UHFFFAOYSA-N 370.405 2.361 0 40 FEAB CN1CCOc2ccc(NS(=O)(=O)c3ccccc3F)cc2C1=O 8961538 ITHDERPEILYTKK-UHFFFAOYSA-N 350.371 2.091 0 40 FEAB CCOc1ccc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1OCC 16689595 XIYHAILXIOQFRD-AWEZNQCLSA-N 355.456 2.133 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H](CC)c2ccccc2)CC1 20807230 FUWGNFQICRJZSI-ZWKOTPCHSA-N 350.459 2.289 0 40 FEAB Cc1cc2ncc(CCCNC(=O)c3cc(-c4ccco4)[nH]n3)cn2n1 206823602 FBZYSVTVIRMENI-UHFFFAOYSA-N 350.382 2.383 0 40 FEAB O=S(=O)(NC[C@@H](OCCO)c1ccsc1)c1ccc(Cl)s1 575621676 QTTZBIQQTAYTSE-SNVBAGLBSA-N 367.901 2.492 0 40 FEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)o1 40088754 YBAQWULJUMDLBR-UHFFFAOYSA-N 350.440 2.329 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 40023703 VHBIOHUSRVXRIV-UHFFFAOYSA-N 367.453 2.406 0 40 FEAB C[C@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102235558 VFZCHUJIRVNHLG-WFGGJUAMSA-N 373.482 2.401 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 32907603 VXFKOPWXEOUXQR-UHFFFAOYSA-N 364.389 2.249 0 40 FEAB CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1 665515 VYSGYRDWWAWMAU-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB CN1CCN([C@@H](CNc2nnnn2-c2ccccc2)c2cccs2)CC1 22804235 CGBLSHZHYLMMOT-INIZCTEOSA-N 369.498 2.124 0 40 FEAB COC(=O)c1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 61719988 ZFNUSMMNVKJKEL-UHFFFAOYSA-N 357.391 2.412 0 40 FEAB CCCN1CC[C@H](CNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 54509862 LYRILWHIAXXQEA-QGZVFWFLSA-N 372.513 2.322 0 40 FEAB COc1ccc(CN(C)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F 23734776 IRLRRSZPNWSPIZ-UHFFFAOYSA-N 369.396 2.282 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 6326739 VRBIFTZGXHVIGU-UHFFFAOYSA-N 368.499 2.449 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 6714263 ZOMSVVAPTYEMCO-UHFFFAOYSA-N 354.863 2.191 0 40 FEAB Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(=O)n(-c2ccccc2)n1C 6742598 URXLWLQJDLUYMP-CLWVCHIJSA-N 369.421 2.170 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1Cl 6679655 JOYCJAAFRAKXME-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 7985897 AINIUAHSIKFNMT-UHFFFAOYSA-N 353.421 2.094 0 40 FEAB C[C@](NS(=O)(=O)c1ccc2c(c1)CCCC2)(C(N)=O)c1ccccc1 58139597 JKVCUXQXCIMDQF-LJQANCHMSA-N 358.463 2.244 0 40 FEAB COc1ccccc1N1CCN(C[C@@H](O)COCc2cccs2)CC1 25330370 UERWNQFOMHNDAG-MRXNPFEDSA-N 362.495 2.456 0 40 FEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(N(C)C)cc1 10432922 XSJAEPBQOPWISH-UHFFFAOYSA-N 360.483 2.398 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(C)n3)CC2)c1 25908959 VBUKVQKMLSKHCO-UHFFFAOYSA-N 369.421 2.005 0 40 FEAB O[C@@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F 26898042 GCMZZRKITHCFMD-SFHVURJKSA-N 358.413 2.406 0 40 FEAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1 44782763 KGBJAHXLNOUIMA-GOSISDBHSA-N 364.442 2.178 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 58182117 GFVBQNDZVYIXPN-BEFAXECRSA-N 368.433 2.414 0 40 FEAB CC(C)[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NCc1cccnc1 58202546 HVMGIXWQFQWPOE-MRXNPFEDSA-N 368.466 2.490 0 40 FEAB NC(=O)NC(=O)CN1C[C@H](c2ccc(F)cc2)O[C@H](c2ccccc2)C1 58209528 FEDMIJCTNXGCQC-DLBZAZTESA-N 357.385 2.135 0 40 FEAB CCONC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 10893257 RGRKDKQZTPADMU-UHFFFAOYSA-N 355.232 2.369 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccs1 3351529 SQQLMWMQAAEWGG-MRXNPFEDSA-N 364.492 2.141 0 40 FEAB C[C@H](OC(=O)c1ccncc1)C(=O)Nc1ccc(N2CCOCC2)cc1 3328764 TWAHSXDLRVOMQD-AWEZNQCLSA-N 355.394 2.102 0 40 FEAB Nn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O 11519104 SWICOSRIMGUICT-UHFFFAOYSA-N 366.446 2.182 0 40 FEAB COCCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100178418 WNGAUFNQWOMJDC-RVFRGNJDSA-N 358.438 2.094 0 40 FEAB O=C1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)N1 60415455 YNEZMZHLQGMPIV-ZDUSSCGKSA-N 351.244 2.266 0 40 FEAB COCCCN1CN(c2ccccc2OC)c2nc(C)c(C)c(=O)n2C1 95481441 BLXLDSNDKRHCHW-UHFFFAOYSA-N 358.442 2.274 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccncc1 49550355 BZWWZZRLKRUSJK-UHFFFAOYSA-N 373.844 2.205 0 40 FEAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O 4695949 BKMJTCIGXAPLAI-CEITULEQSA-N 364.423 2.394 0 40 FEAB COC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 7030084 BCHLFNLVFZWWIA-GFCCVEGCSA-N 357.362 2.286 0 40 FEAB CCCNC(=O)[C@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2O1 7276452 JFVFUFAEGOORCE-GOSISDBHSA-N 359.470 2.229 0 40 FEAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 7250516 FEKWFTGZPZEPJW-AWEZNQCLSA-N 365.393 2.261 0 40 FEAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3)c(=O)c12 7552739 MAAVUBHHCMOCPV-UHFFFAOYSA-N 355.350 2.113 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)c1 67331834 NOEBFPNVABURRX-AWEZNQCLSA-N 362.451 2.100 0 40 FEAB O=C(/C=C/c1cc(Br)ccc1F)OCC(=O)N1CCOCC1 7979198 SORNMOVKKGEUOS-DAFODLJHSA-N 372.190 2.003 0 40 FEAB COc1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc2c1OCCO2 7939186 BESLXYMNYCYNLI-UHFFFAOYSA-N 351.399 2.269 0 40 FEAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(N)(=O)=O 8009911 IPQOKIGREYSEAT-UHFFFAOYSA-N 352.437 2.306 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3cn4ccccc4n3)ccc21 8279024 GTHJMTKEWKSVFR-UHFFFAOYSA-N 361.405 2.303 0 40 FEAB O=C(NCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 8390679 FAVBGENPHQUPJG-UHFFFAOYSA-N 370.780 2.417 0 40 FEAB O=C(CSc1ncnc2sccc12)NCc1nnc2ccccn12 8344867 GSTVSSNGBWMMQM-UHFFFAOYSA-N 356.436 2.143 0 40 FEAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)c1ccc[nH]1 8512442 BARANCWDKAIDNF-UHFFFAOYSA-N 358.438 2.463 0 40 FEAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2CC(C)C)CC1 8710116 PUGMWGKLIRDSKR-UHFFFAOYSA-N 374.510 2.475 0 40 FEAB Cc1cc(C)n(C[C@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 84102254 UNYCXXXSLPQXQW-HOCLYGCPSA-N 370.453 2.209 0 40 FEAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCN(C)C2=O)o1 97002367 FZOODEIAOQVUKU-INIZCTEOSA-N 364.405 2.401 0 40 FEAB Cc1cnc(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)s1 84264955 HDCGCEOEOZKLQV-UHFFFAOYSA-N 354.476 2.379 0 40 FEAB COc1cc(N2CCN(C(=O)NCc3ncccc3F)CC2)ccc1F 555183123 GFKXRXAZRFFJRF-UHFFFAOYSA-N 362.380 2.400 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306135549 OUOUWZYCCPZNEV-LSDHHAIUSA-N 369.444 2.004 0 40 FEAB Cc1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)CCN(Cc1ccccc1)C2 72335706 XKPREGHBAQYBTH-KRWDZBQOSA-N 365.481 2.045 0 40 FEAB O=C(COc1ccc(Br)cc1C(=O)O)NCc1ccco1 217717702 BYIAVUJZLMOIIE-UHFFFAOYSA-N 354.156 2.436 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217414610 AUHAKJMWFCGRFQ-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504247 AIYHUHUOFRKZPS-RYRKJORJSA-N 363.410 2.026 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47363130 MTFFWCYILQAGIU-AWEZNQCLSA-N 374.462 2.439 0 40 FEAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CCCC2 49550888 HFDRXCXTYJRGNZ-SFHVURJKSA-N 372.465 2.044 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(OC)c1 5985883 QHBBCDGLGKDRIK-UHFFFAOYSA-N 357.362 2.206 0 40 FEAB Cc1occc1C(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044402 WXWSBEJXVMTGMY-QGZVFWFLSA-N 359.426 2.255 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOc2ccccc2C)C1 583618755 DHYWFJOWHRDPDT-CVEARBPZSA-N 353.426 2.274 0 40 FEAB Cn1c(=O)n(C)c2cc([C@@H]3CC(=O)Oc4ccc5nsnc5c43)ccc21 96224142 PQMVENVFHQIRMT-JTQLQIEISA-N 366.402 2.323 0 40 FEAB Cn1cc(CN2CCC3(CC2)C[C@@H](NC(=O)c2cccs2)CO3)cn1 96221228 ZLBVWXUQZFTCNZ-OAHLLOKOSA-N 360.483 2.035 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)ncn1 257221854 DQUSUQCNIBNGRP-OAHLLOKOSA-N 351.410 2.135 0 40 FEAB CNC(=O)c1cnn2c(C3CCN(C(=O)CC(C)(C)C)CC3)ccnc12 257298107 RKEFIDDWDKEJFT-UHFFFAOYSA-N 357.458 2.231 0 40 FEAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253595978 LQNLFZZVNGUMCJ-CLUDHOEWSA-N 371.481 2.009 0 40 FEAB CNc1cc([C@@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)ccn1 257285596 PHXFLYDACKRCFW-OAHLLOKOSA-N 350.426 2.274 0 40 FEAB O=C(COc1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539265 VKCOZWVWYFGPQL-UHFFFAOYSA-N 372.396 2.278 0 40 FEAB Cc1cn(C)c([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257229035 FWKLUAJKHPNHTF-MRXNPFEDSA-N 353.426 2.138 0 40 FEAB CNc1cccc([C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)n1 257333438 YBNKQMOECZXMAY-OAHLLOKOSA-N 351.403 2.025 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(N2C(=O)CNC2=O)CC1 253472199 KBWYOBBQKXEKTC-UHFFFAOYSA-N 370.331 2.254 0 40 FEAB O=C(O)CN(CC(=O)N1CCCCC1)Cc1cccc(Br)c1 629364534 MYZLRPDZKVLMRM-UHFFFAOYSA-N 369.259 2.348 0 40 FEAB COc1cccc(C[C@H](NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)C(=O)O)c1 630241896 CSBUZBZSSRUJKR-CADBVGFASA-N 351.402 2.393 0 40 FEAB O[C@H]1CCN(Cc2ccccc2CNCc2ccccc2-n2cncn2)C1 1656071232 LVOLMWNMYUJYCD-FQEVSTJZSA-N 363.465 2.124 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095707 DZQHKCXWIHABCD-SNPRPXQTSA-N 366.412 2.070 0 40 FEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cccc(C)c1 36822333 TVPJUBLMJFTVDQ-UHFFFAOYSA-N 373.405 2.152 0 40 FEAB COc1ccc(CC(=O)N2CCC(Cn3nc(C)ccc3=O)CC2)cc1 1565522358 GOLPBLOEUUWREC-UHFFFAOYSA-N 355.438 2.042 0 40 FEAB CCOC(=O)C1CCN(C(=O)Nc2cnc3ccc(OC)nc3c2O)CC1 12117880 ZEQYOIUHWKGOCX-UHFFFAOYSA-N 374.397 2.151 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 12535335 RKVHHMJFLNBDTF-UHFFFAOYSA-N 374.397 2.172 0 40 FEAB CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O 15962657 CYGNWMPJDONMFY-OAHLLOKOSA-N 372.469 2.093 0 40 FEAB COc1cc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC 19285200 HYARLXJZWVTECV-CQSZACIVSA-N 359.426 2.094 0 40 FEAB O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cccn2nnnc12 19654949 MEHFSQAAGJPYFK-KRWDZBQOSA-N 350.426 2.081 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1Cc1c(F)cccc1Br 643829236 TXINROGMNAVNML-OAHLLOKOSA-N 359.239 2.315 0 40 FEAB Cc1csc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1 575606212 FMTZXGPJBATMJQ-UHFFFAOYSA-N 374.388 2.448 0 40 FEAB NC(=O)c1c(NC(=O)COc2ncnc3sccc23)sc2c1CCC2 6078944 SBAANXHJWMQHMM-UHFFFAOYSA-N 374.447 2.358 0 40 FEAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1cn2ccccc2n1 7138192 OATXAVFMEYIHMC-INIZCTEOSA-N 356.451 2.467 0 40 FEAB Cc1ncsc1C(=O)N1CCN(c2nc(O)c(F)c(C(C)C)n2)CC1 1888844405 ZXQQBCGGBRXGGH-UHFFFAOYSA-N 365.434 2.172 0 40 FEAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)ncnc21 1888910667 MJRCSSMVIDEYCI-IYBDPMFKSA-N 362.437 2.055 0 40 FEAB Nc1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc12 25139283 DFYMLYBDCDHHEY-UHFFFAOYSA-N 365.412 2.309 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3cccnc3)C2)C1 238884174 PTGGZGCDYWSSIW-CQSZACIVSA-N 361.442 2.318 0 40 FEAB O=C(NCc1cccs1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065678 RRIIYZTVQVDNOO-GFCCVEGCSA-N 373.434 2.329 0 40 FEAB O=C(CN1CCC(C(=O)NCc2ccco2)CC1)Nc1ccc(F)cc1 9067944 YTZLAMYKRCNMHW-UHFFFAOYSA-N 359.401 2.386 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1 13701143 GNNZYSAXITXABW-UHFFFAOYSA-N 360.373 2.415 0 40 FEAB CCCCCNC(=O)Cn1c(O)nc2c(-c3ccccc3)c[nH]c2c1=O 33037961 CMSBUQLZNXMXER-UHFFFAOYSA-N 354.410 2.404 0 40 FEAB CC1CCN(C(=O)CN2CCC(N(C)c3ncc(Cl)cn3)CC2)CC1 2086854470 FQMJPTCZTBMYOJ-UHFFFAOYSA-N 365.909 2.289 0 40 FEAB COCCOc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1 40146638 YYOZCSYRSQEVAF-UHFFFAOYSA-N 374.422 2.093 0 40 FEAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 40159683 DBKVBZKSBNOELS-CYBMUJFWSA-N 351.878 2.397 0 40 FEAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 40154423 XYEXYDMGCADAMF-ZBFHGGJFSA-N 370.540 2.096 0 40 FEAB COC(=O)c1ccc(OCc2noc(C(=O)NC3CCCCC3)n2)cc1 32104508 LVSSOUYGVLCLQZ-UHFFFAOYSA-N 359.382 2.498 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2nc(C(F)(F)F)sc2c1 20729034 HKICRBSCPWCMKZ-MRVPVSSYSA-N 364.370 2.232 0 40 FEAB CCOc1ncccc1CNC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 32787242 QZXXEUIORZJDHR-UHFFFAOYSA-N 366.421 2.449 0 40 FEAB NC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccn3)no2)c1 32914436 VAPYHCCCYUDNPW-UHFFFAOYSA-N 352.354 2.194 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc4c3O[C@@H](C)C(=O)N4)C2)n1 104291070 ZTLDHNKCVYKSOO-CMPLNLGQSA-N 356.382 2.117 0 40 FEAB CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1 1014248 RYOGLUJKNXVFKZ-ZBFHGGJFSA-N 350.415 2.252 0 40 FEAB biogenic COc1ccc([C@@H]2N(c3ccc(NC(C)=O)cc3)C(=O)CS2(=O)=O)cc1 1088745 XPDQWUXGEJTGCJ-GOSISDBHSA-N 374.418 2.114 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](C(F)(F)F)SCC(O)=N2 79477314 ARJHBRUAFIVUHP-GMSGAONNSA-N 369.390 2.489 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 956952 HSMJYLZRWNTLPA-UHFFFAOYSA-N 353.488 2.233 0 40 FEAB CC(=O)c1nnn(-c2cnn(-c3ccccc3)c(=O)c2Br)c1C 3172095 TWBXENNNVJEWPG-UHFFFAOYSA-N 374.198 2.087 0 40 FEAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)c1 4384824 NPUJFXOCRFAFRN-UHFFFAOYSA-N 367.409 2.399 0 40 FEAB COc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 24292956 DJLYARZXBLDJRW-UHFFFAOYSA-N 364.449 2.250 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986762 ZRKSEOASSKFEFB-DLBZAZTESA-N 357.385 2.109 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2O)C1=O 6879674 LUXAWLQPSMZWIW-LCYFTJDESA-N 364.423 2.353 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccn(C)n1 25076761 NLTGHUDSHRDJTJ-CYBMUJFWSA-N 362.817 2.325 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NC1CCCCCC1 25045235 BLGCLVHXACYVNC-UHFFFAOYSA-N 357.458 2.217 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(OC)cc2)n1 57316492 HDFDRIQZXBDQAV-JXMROGBWSA-N 360.443 2.008 0 40 FEAB CCOc1ccc(Oc2cc(CNC(=O)Cn3cncn3)ccn2)cc1 55770825 QHUCYHVWFBVSCU-UHFFFAOYSA-N 353.382 2.181 0 40 FEAB CN(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 8244484 OQUGWDJOQRNQAQ-UHFFFAOYSA-N 368.405 2.244 0 40 FEAB O=C(NC1CCN(C[C@H](O)COc2ccccc2)CC1)c1ccccc1 25304920 XQWKSROUERATQO-IBGZPJMESA-N 354.450 2.321 0 40 FEAB CCCOc1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 107619804 OKKFQGOVCOTDQE-ZDUSSCGKSA-N 362.455 2.348 0 40 FEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccsc2C(=O)OC)c1 9338449 PNCUNZFOEKNGKH-UHFFFAOYSA-N 369.420 2.431 0 40 FEAB COc1cccc([C@H](CNS(=O)(=O)c2ccccc2F)N(C)C)c1 10091207 GSUZZVVBMBDEEP-INIZCTEOSA-N 352.431 2.416 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C1CCCCC1 10031866 YMIWQETYXNLEAH-QGZVFWFLSA-N 357.454 2.331 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)cc1 58182111 GFVBQNDZVYIXPN-DNVCBOLYSA-N 368.433 2.414 0 40 FEAB C[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2270550 TVVKFADETYGQFE-COOUDCDJSA-N 356.353 2.186 0 40 FEAB COC(=O)[C@@]1(SC)[C@H]2C=C[C@@H]3C2C2[C@H](C=C[C@H]21)[C@]3(SC)C(=O)OC 104286962 UJCMCFULJLVVQQ-WVAGOBGGSA-N 366.504 2.400 0 40 FEAB COC(=O)Cn1c(SCCN2CCCCC2)nc2ccccc2c1=O 36612114 BBGISOMSMJTCCQ-UHFFFAOYSA-N 361.467 2.148 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)c1ccc(F)c(F)c1 12848129 PFMWIIWNBQQYSY-SNVBAGLBSA-N 358.304 2.369 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1 11615627 CKDRCRUOEZNUTD-UHFFFAOYSA-N 374.422 2.008 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2c(c1)OCO2 22465595 VRLVGRXTYKEPGT-AWEZNQCLSA-N 360.435 2.280 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9157485 SNOUVSMWTSSYIW-MRXNPFEDSA-N 365.389 2.266 0 40 FEAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3ccccc3Cl)no2)cn1 96001757 GSXTYQJAMFUGCZ-AWEZNQCLSA-N 373.800 2.337 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1 13856232 SGNZRIZPRHSHIP-CQSZACIVSA-N 354.472 2.155 0 40 FEAB COc1cc(OC)c(OC)cc1CNCCNC(=O)c1cccs1 4498138 ZYUOWMDHWLCKOR-UHFFFAOYSA-N 350.440 2.294 0 40 FEAB Cn1nc(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O 14169896 ZOVHKFUHGWIEIU-UHFFFAOYSA-N 360.417 2.316 0 40 FEAB Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1C 6547798 PGXPYHQHVFXVCU-UHFFFAOYSA-N 365.389 2.195 0 40 FEAB CC[C@@H](C)c1ccccc1NC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 9479752 WLXITXJIUPIYGO-GFCCVEGCSA-N 360.439 2.108 0 40 FEAB CN(CC(=O)Nc1cc(F)ccc1F)Cc1nc(=O)c2ccccc2[nH]1 15351152 HQTGALQOKFJFEI-UHFFFAOYSA-N 358.348 2.272 0 40 FEAB Cc1cc(C)c2c(c1)CN(C(=O)CNS(=O)(=O)c1cccs1)CC2 189245570 FBJUXVKMZCSBRQ-UHFFFAOYSA-N 364.492 2.228 0 40 FEAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 7195266 HKLJPPBGWKPYCU-IERDGZPVSA-N 366.417 2.128 0 40 FEAB CCN(Cc1ccncc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7364560 YTLWSZAFBYTTCP-UHFFFAOYSA-N 363.439 2.259 0 40 FEAB C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2NC1=O 7729251 YDZUSVWDZVCOHB-MRVPVSSYSA-N 354.334 2.485 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8130534 DGTUNYSEOQSFQE-MRXNPFEDSA-N 366.483 2.160 0 40 FEAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(=O)[nH]c1 9691953 HVLUKLURRKIHHK-UHFFFAOYSA-N 351.156 2.161 0 40 FEAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1cccnc1-n1cc(Cl)cn1 72404323 ZDFJWCYBKDKGHM-UHFFFAOYSA-N 357.801 2.489 0 40 FEAB O=C(CN1C(=O)N/C(=C/c2cccc(F)c2)C1=O)Nc1ccccc1F 409211352 IURGJGWQHMRZLY-OQLLNIDSSA-N 357.316 2.496 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 25713068 OXLNRJBJSUQCQQ-HNNXBMFYSA-N 368.455 2.357 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccc(OC(F)F)nc2)c2ccccc21 549015292 RLMRNGFVGVMWJE-UHFFFAOYSA-N 362.336 2.458 0 40 FEAB O=C(Nc1nncn1C1CC1)c1cn(-c2ccccc2C(F)(F)F)nn1 557108638 MUFZONKCJSJXEY-UHFFFAOYSA-N 363.303 2.465 0 40 FEAB CNc1nc2c(s1)[C@@H](c1cc(OC)c3c(c1OC)OCO3)CC(=O)N2 66091372 AEMVPRKKJSFAMB-MRVPVSSYSA-N 363.395 2.405 0 40 FEAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(I)c2)C1 216873742 BFOOLPZRRGWJOQ-SECBINFHSA-N 359.163 2.207 0 40 FEAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44903945 DDCYOOOQJHNLMK-MRXNPFEDSA-N 367.515 2.486 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)NCCSC(F)(F)F)cnc12 40119035 XLYGQYKBXFQTAU-UHFFFAOYSA-N 359.373 2.464 0 40 FEAB CCOC(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O 49411403 PUYNHIUUKXGSRC-UHFFFAOYSA-N 361.423 2.053 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)N(C)C)c1 44949999 OKYPTYALPISGFK-HNNXBMFYSA-N 367.515 2.175 0 40 FEAB CCn1c(=O)n(C[C@@H](O)COc2cccc(C(C)=O)c2)c2ccccc21 44348851 AKUUIMOAPFANDG-MRXNPFEDSA-N 354.406 2.465 0 40 FEAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)c3ccccc3F)C[C@H]21 514289995 QSXDWOZETZNMJQ-WBVHZDCISA-N 358.344 2.322 0 40 FEAB biogenic,in-vitro COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)c1OC 45896083 XYHLSSAHIIBLIO-AWEZNQCLSA-N 373.413 2.321 0 40 FEAB O=C(CCc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 96245492 GWIQLGCTBPQKSN-IYBDPMFKSA-N 355.463 2.306 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(C(C)=O)C2 96055999 SFYJDNHMCLTKMA-YJBOKZPZSA-N 350.484 2.372 0 40 FEAB CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@@H]3O2)CC1 96043244 ZUGPTNIVYPXXDB-OTWHNJEPSA-N 350.503 2.151 0 40 FEAB O=C(Cc1cccnc1)N1CCC2(CCN(C[C@H]3CCOC3)CC2)CC1 96063011 XBHIIQSFKLTHRW-LJQANCHMSA-N 357.498 2.365 0 40 FEAB Cc1nocc1C(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224471 XDVSGJYGBKQRPR-LJQANCHMSA-N 354.410 2.033 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 245238678 YMLVJQDQZDAEFW-BOSXTWCSSA-N 368.518 2.353 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@@H](CNC(=O)c3cccn3C)CO2)C1 248082571 APVRFWOQQBNDCO-INIZCTEOSA-N 372.469 2.041 0 40 FEAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cnn(C)c3)CC2)nn1C 257259066 KWSJXZWTUWKKPV-WKILWMFISA-N 372.517 2.261 0 40 FEAB NC(=O)c1cccc(C(=O)Nc2ccc(I)cc2)n1 542870601 KGZQXSHEBUWUGY-UHFFFAOYSA-N 367.146 2.037 0 40 FEAB CO[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@]12CCCO2 257243087 IFKGOHMQYBOOFV-YJBOKZPZSA-N 370.396 2.496 0 40 FEAB CN(C)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 585084613 PGJFDLPWGBEDTP-QGZVFWFLSA-N 356.470 2.384 0 40 FEAB CCOc1ncnc2c1CN(C(=O)c1ccc(Cn3cccn3)cc1)CC2 674600110 ZRYCMGQXWLLKMZ-UHFFFAOYSA-N 363.421 2.319 0 40 FEAB Cc1noc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)c1C 1775959774 WGKGIAQMVZDPQS-ZFWWWQNUSA-N 357.414 2.106 0 40 FEAB O=S1(=O)CC[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 575425927 JEYLCEPRAYVZLT-INIZCTEOSA-N 365.476 2.065 0 40 FEAB CCn1nc(C)c([C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)c1C 670416147 RNASZDKVMKQMCN-CYBMUJFWSA-N 370.457 2.480 0 40 FEAB Cc1cc(CN2CCC(CNC(=O)c3cccn(C)c3=O)CC2)c(C)o1 43972450 UDWJAJOVQQPBRF-UHFFFAOYSA-N 357.454 2.237 0 40 FEAB C[C@H](NCCNC(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 75094260 NMJXZMZLPRGMEP-RXVVDRJESA-N 367.493 2.468 0 40 FEAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccccc3F)CC1)CC(=O)N2C 1772596226 YJFLXYWGSQXXPE-UHFFFAOYSA-N 356.401 2.329 0 40 FEAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)N2C=C1 12203303 METCUPCESNKADG-IIBYNOLFSA-N 372.513 2.476 0 40 FEAB CC[C@H](C(=O)NCCCOC(C)C)N(c1ccccc1)S(C)(=O)=O 13711513 YHCUPMAKFQYXAM-MRXNPFEDSA-N 356.488 2.163 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 16090738 SDMZLMQFPSEJJX-NSHDSACASA-N 374.509 2.038 0 40 FEAB CCc1cc(NCCN2CCOCC2)n2nc3nc(C)cc(C)c3c2n1 19522194 ZXENJGAPSRHTQP-UHFFFAOYSA-N 354.458 2.201 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)c1 19551032 ZKWQVHIFFGMYQV-GFCCVEGCSA-N 367.409 2.390 0 40 FEAB COC[C@@]1(C)CN([C@@H](C(=O)O)c2cccc(Br)c2)CCO1 629378689 IAKGYKRUJHPCLG-UKRRQHHQSA-N 358.232 2.312 0 40 FEAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)NC(C)(C)C)n1C 12422694 APNDBDUWTQBHNB-UHFFFAOYSA-N 366.491 2.104 0 40 FEAB CN1C(=O)N(C)C2(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 16849893 UBZQOHVGVWQITB-UHFFFAOYSA-N 369.343 2.204 0 40 FEAB O=C([C@H]1CCCO1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888863550 OKAGVFXEVSJXEP-ZIFCJYIRSA-N 364.449 2.217 0 40 FEAB Cc1ncnc(OC[C@]23CCC[C@H]2CN(c2ccc4nncn4n2)C3)c1C 1888904032 XPJPINNPNNXPLQ-HNAYVOBHSA-N 365.441 2.217 0 40 FEAB Cc1cc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)no1 1614940822 WCLFBHKQTOYBGW-QGZVFWFLSA-N 352.394 2.272 0 40 FEAB Cc1nc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cs1 1614931433 FZTMGTJJTYCZBI-KZULUSFZSA-N 356.451 2.362 0 40 FEAB O=C1C[C@@]2(CCCCN2C(=O)c2csnn2)CN1Cc1ccccc1 1565554496 SVBLOBNSXQHVDO-SFHVURJKSA-N 356.451 2.336 0 40 FEAB O=C(NCc1cccs1)[C@H]1CN(C(=O)C2(F)CC2)CC12CCOCC2 1565551411 PZAYMCXTFAKGHE-CQSZACIVSA-N 366.458 2.122 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)NCCc3ccccc3)CC2=O)cc1 4373508 IHOSCIPEZGNMNC-MRXNPFEDSA-N 353.422 2.342 0 40 FEAB O=C1C[C@H](NS(=O)(=O)c2ccccc2F)CN1c1ccc(F)cc1 5222222 ONSXGUUMXGOEGZ-LBPRGKRZSA-N 352.362 2.049 0 40 FEAB O=c1c2ncccc2n(Cc2ccccc2F)c(=O)n1Cc1ccncc1 9001674 YCYXSTWQPXCAKK-UHFFFAOYSA-N 362.364 2.189 0 40 FEAB CCc1nccn1CC1CN(C(=O)c2ccc(N3CCOCC3)cc2)C1 1848989635 APAVODREQALNSG-UHFFFAOYSA-N 354.454 2.054 0 40 FEAB CCn1cc(CN2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@H]3C2)cn1 2055772362 BXCRREKISBPDPN-HKUYNNGSSA-N 354.454 2.002 0 40 FEAB COC1(CC(=O)N2CCC[C@@]3(COCCN(c4cccnc4)C3)C2)CCC1 2055816029 DVDVCFWHDXZXOJ-FQEVSTJZSA-N 373.497 2.486 0 40 FEAB Cc1csc(C(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)c1 206638405 MBGIKNUPQLZYJK-UHFFFAOYSA-N 369.450 2.242 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1ccccc1F 49410366 BEQRIKHZUMJUCV-UHFFFAOYSA-N 350.415 2.210 0 40 FEAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccnc1OC 206800339 MNHYNRVMKNCMTA-SWLSCSKDSA-N 374.368 2.064 0 40 FEAB CCOC(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 40013008 FOXQUTHNCXPZNS-GOSISDBHSA-N 359.470 2.370 0 40 FEAB COC(=O)COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 40111471 GDWKWVGLLQLJFN-KZULUSFZSA-N 357.362 2.405 0 40 FEAB COc1ccc(Oc2ccc(CNC(=O)[C@H](C)n3cncn3)cn2)cc1 40142411 IEFBWFPTAGSWLS-ZDUSSCGKSA-N 353.382 2.351 0 40 FEAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(O)c3)CC2=O)c(OC)c1 32095795 KBYZWSUNYPJHCD-GFCCVEGCSA-N 356.378 2.401 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3s2)C1 21636619 KJPKIXSAUTWDRF-QWHCGFSZSA-N 364.492 2.437 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1 52619254 YXLPYCDCPXQHIH-UHFFFAOYSA-N 361.467 2.260 0 40 FEAB NC(=O)CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2459551 SITWMBIJNBQFDI-UHFFFAOYSA-N 353.856 2.112 0 40 FEAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c(OC)c1 54838254 MCQCHWKJEVVRMX-UHFFFAOYSA-N 356.426 2.073 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)nc2n1 6057375 RQMUSNOSOZLRRZ-UHFFFAOYSA-N 359.773 2.190 0 40 FEAB Cc1cc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)ccc1Br 7278187 XDBWSPUYZIZFSP-QWRGUYRKSA-N 361.286 2.411 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccccc2)c(=O)[nH]c1=O 7803651 CUYJJLSNGGSZBT-UHFFFAOYSA-N 358.442 2.222 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Br)c1 3294191 SHWUXAKIADZILV-UHFFFAOYSA-N 365.183 2.186 0 40 FEAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCOCC1 12601732 MNODWLPMTVKYDU-LBPRGKRZSA-N 360.357 2.367 0 40 FEAB Cc1ccc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)s1 108530698 RNEFIXIVPYGFAI-CQSZACIVSA-N 358.529 2.119 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(F)c1 27591517 GAUVFQVTDGRRQX-KRWDZBQOSA-N 358.417 2.027 0 40 FEAB CC[C@@H](C)NC(=O)CCNC(=O)CCc1c(C)nc2cc(C)nn2c1C 58182803 KNBZYLGDVGNYBT-GFCCVEGCSA-N 359.474 2.008 0 40 FEAB CCc1c(C)nc2cc(C3CCN(C(=O)c4ccnn4C)CC3)nn2c1O 100137561 JRMVREZSLPNYAT-UHFFFAOYSA-N 368.441 2.059 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)NCc1cccc(CS(C)(=O)=O)c1 58282458 MFFUXZJAMAPTBB-UHFFFAOYSA-N 371.455 2.157 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1)C(=O)C2 104815095 LKOYPGUMWURARQ-QGHHPUGFSA-N 367.423 2.228 0 40 FEAB Cc1csc([C@@](O)(CC(=O)NCc2ccnc(C)n2)C(F)(F)F)n1 58332591 ROVMBFWKDDYKJH-ZDUSSCGKSA-N 360.361 2.006 0 40 FEAB COC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 58330273 LHGQTYKBSMWNRV-WBMJQRKESA-N 359.426 2.443 0 40 FEAB O=C(NCc1ccccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12 58417153 IMUDVGNOYUAIAJ-UHFFFAOYSA-N 363.417 2.295 0 40 FEAB CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cc1 3347025 NBQMRWVVPYBGQF-UHFFFAOYSA-N 364.398 2.335 0 40 FEAB CNC(=O)c1ccc(CN(C)Cc2cc(=O)n3c(C)csc3n2)cc1 29930132 XZNSIFTYQICBNG-UHFFFAOYSA-N 356.451 2.056 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(CNc2ccc3nccnc3n2)c1 58228687 UNZUUUBQNXBGQD-UHFFFAOYSA-N 357.439 2.324 0 40 FEAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 12808770 XFQOXIMPAXQSNL-CQSZACIVSA-N 354.406 2.455 0 40 FEAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 20003834 PVONZBGSHCIUMZ-UHFFFAOYSA-N 370.780 2.258 0 40 FEAB O=c1n(-c2ccccc2)c(=O)n2n1C1[C@]34CCC[C@]35C3C4[C@]14CCC[C@@]34C25 101048492 GPXAUEMRXXBCJL-HBFJPWKLSA-N 359.429 2.497 0 40 FEAB CCCc1nnc(NC(=O)[C@H](CC)n2nnc3ccccc3c2=O)s1 9025721 FPLRZXHNFWAOPY-LBPRGKRZSA-N 358.427 2.185 0 40 FEAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 3451488 BISHHJGDVQRBLD-UHFFFAOYSA-N 356.494 2.265 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 2784584 NZBPKZXWAYMJLI-UHFFFAOYSA-N 362.426 2.281 0 40 FEAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1OC 22769571 KEOFCJYRDRYAFS-OAHLLOKOSA-N 360.410 2.100 0 40 FEAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 13040222 FVJMTBVHWKDEQU-UHFFFAOYSA-N 364.826 2.378 0 40 FEAB CC1(C)[C@@H](C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)[C@H]1C(=O)O 72400622 OXNWJINOPZPFMP-SJORKVTESA-N 373.453 2.406 0 40 FEAB Fc1ccccc1-n1nc(-c2nc([C@@H]3COCCN3)no2)c2c1CCC2 96001440 ZASAXNUEUMHNAK-ZDUSSCGKSA-N 355.373 2.211 0 40 FEAB Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc12 39555110 LLWCGGDTNZZWSB-UHFFFAOYSA-N 356.329 2.495 0 40 FEAB O=C1CSc2ccc(C(=O)NCCCOC[C@@H]3CCCO3)cc2N1 13986135 IOSMSEPSIWPBGW-ZDUSSCGKSA-N 350.440 2.046 0 40 FEAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 14197156 MAMAPBWZZDWPFZ-UHFFFAOYSA-N 360.391 2.271 0 40 FEAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 14180602 DAMOEZBLXZDEBL-UZLBHIALSA-N 372.396 2.341 0 40 FEAB CN(C)C(=O)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 5400173 IQOSLOXYRXFZRZ-JTQLQIEISA-N 356.448 2.322 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1 5530208 ZFOIRJHAPRYDNM-FPCVCCKLSA-N 360.454 2.185 0 40 FEAB Cc1c(O[C@H](C)C(=O)NCCCO)ccc2c3c(c(=O)oc12)CCCC3 6814104 JOXXSYRCYVIMOH-CYBMUJFWSA-N 359.422 2.246 0 40 FEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1F 6818903 YISZSPNPVUVNAM-UHFFFAOYSA-N 351.403 2.201 0 40 FEAB CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(F)cc2)n2ncnc2N1 4987271 WCYJMJPDFSJWLV-ZBFHGGJFSA-N 358.373 2.428 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCCc2ccccc2)n1 4968143 DRCRHLIEACGMLK-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB Cc1ccc(N([C@H](C)C(=O)NCc2ccncc2)S(C)(=O)=O)cc1C 4933169 AHJQGTIAMLKJHJ-OAHLLOKOSA-N 361.467 2.169 0 40 FEAB Fc1ccc(-c2nnn(CN3CCN(Cc4cccs4)CC3)n2)cc1 22024808 LGGJJWBEVKDXAC-UHFFFAOYSA-N 358.446 2.316 0 40 FEAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(C)c2N)cc1 9512223 ZCJVBKLXOOHDKJ-UHFFFAOYSA-N 357.366 2.091 0 40 FEAB CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)cs2)cc1 7872452 KLFXLKRSYXBTDB-LLVKDONJSA-N 373.434 2.470 0 40 FEAB CCOC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 8939760 LXBVHUHIFAQINA-CQSZACIVSA-N 371.441 2.313 0 40 FEAB COc1ccc(CCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8996469 MTPPSMKDQIBEPU-UHFFFAOYSA-N 354.454 2.015 0 40 FEAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(F)cccc1Cl 97147130 QJNBZKJQCDVEFT-LLVKDONJSA-N 374.825 2.030 0 40 FEAB Cn1c(=O)c([C@@H]2CC(=O)Nc3cc(O)c(C(=O)O)cc32)cc2ccccc21 65460104 WTXXJPAFXYYKLU-LLVKDONJSA-N 364.357 2.416 0 40 FEAB COc1cccc([C@@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc3O2)c1 531749439 HQQURSRKXHAICI-PBHICJAKSA-N 357.362 2.167 0 40 FEAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCN(C(C)=O)CC1 72396614 BJWXPEPKGZSDDU-UHFFFAOYSA-N 368.441 2.232 0 40 FEAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc1 73391342 MFAQRALUOKQDAT-BYYRLHKVSA-N 357.406 2.492 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 35311577 AKJGDQIQAZUPKQ-HNNXBMFYSA-N 367.515 2.434 0 40 FEAB COc1cccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 34193882 WZROVLRWRZEOFR-UHFFFAOYSA-N 364.442 2.341 0 40 FEAB CN(C[C@@H]1CCCN(c2ncnc3c2cnn3C)C1)C(=O)OC(C)(C)C 49980166 HMLPFGZYQQQOFM-ZDUSSCGKSA-N 360.462 2.447 0 40 FEAB CN1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1 40158596 UOWTZBNUTMCFFK-UHFFFAOYSA-N 360.483 2.413 0 40 FEAB COc1ccc(OC)c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1 223318990 YENRGLJJRPSQBQ-UHFFFAOYSA-N 364.379 2.248 0 40 FEAB C[C@@H]1CN(C[C@@H](O)COc2ccc(C(=O)O)cc2)Cc2ccccc2O1 575936084 KXVOFQFZBLJQHV-RHSMWYFYSA-N 357.406 2.408 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)on1 96106794 XRYWEWFUUIGRBQ-INIZCTEOSA-N 357.410 2.359 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257263507 LQFHXYFYUBRXPI-SFHVURJKSA-N 353.422 2.145 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 252022130 ZCSCSILPCUBJTL-OAHLLOKOSA-N 372.425 2.172 0 40 FEAB Cc1ncsc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccn1 257209930 BSLQBMVJFOTDGO-UHFFFAOYSA-N 366.450 2.266 0 40 FEAB CN(CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccc1F 257243801 IIPGJULEWPLFMF-PXNSSMCTSA-N 361.461 2.307 0 40 FEAB CCc1cnc(O)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 665997939 BSBHVIOBMRISPK-UHFFFAOYSA-N 357.385 2.087 0 40 FEAB CCCC(=O)N[C@H]1CN(C(=O)c2cccc(NC(=O)NC)c2)CC1(C)C 1775989549 PASNYWXLJASZHH-HNNXBMFYSA-N 360.458 2.205 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2ccc3c(c2)ncn3C)C1 1775957431 ULYZEUKKRLAYEV-PBHICJAKSA-N 352.442 2.073 0 40 FEAB CN1CCCC[C@H](CNC(=O)NCc2nc(Cc3ccccc3)no2)C1 1119943099 ZAOWEKXZQAURSV-MRXNPFEDSA-N 357.458 2.192 0 40 FEAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccccc2Br)C1 643754566 AARHZYUDBKTTBD-MRXNPFEDSA-N 355.276 2.254 0 40 FEAB O=C(NCc1cnn(CC(F)(F)F)c1)N1CCO[C@H](CC(F)(F)F)C1 660913115 OYULNOXPALZSQC-SNVBAGLBSA-N 374.285 2.308 0 40 FEAB O=C(CCc1ccccc1F)NCC1CCN(S(=O)(=O)C2CC2)CC1 96120429 QEDYZWGUYRRXNB-UHFFFAOYSA-N 368.474 2.079 0 40 FEAB CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095698 CQMZMNNHROCZEM-KRWDZBQOSA-N 355.442 2.058 0 40 FEAB CCc1ccc(CN2CC3(CC[C@H](CNS(=O)(=O)CC)CO3)C2)cc1 585103687 CXASQLUVYBBKGA-GOSISDBHSA-N 366.527 2.169 0 40 FEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cccc3nccn23)C1 548673012 LTNIMGKBNQCITM-GOSISDBHSA-N 355.467 2.337 0 40 FEAB COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)OC 5045972 NELYYDTWONKCAR-UHFFFAOYSA-N 371.846 2.422 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCn3ccnc3)c12 5207811 CTIHQZLQNDQVIN-UHFFFAOYSA-N 369.421 2.446 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)CCn3cccn3)c2C2CC2)on1 13226718 DEKXQQOMJHYLIR-UHFFFAOYSA-N 354.414 2.127 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 14015785 ZYQIPMPCJDSASI-UHFFFAOYSA-N 370.862 2.193 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCO1)c1nc2cc(-c3ccccc3F)ncn2n1 19574495 BTCGRJUSYGGPNP-XHDPSFHLSA-N 355.373 2.287 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2cccs2)CC1 19867501 XNMFPDOOEUNTDZ-CFVMTHIKSA-N 368.524 2.454 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 1361740 GAHCXUTYBLAJTP-LBPRGKRZSA-N 356.378 2.456 0 40 FEAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC 3565529 KPIZIJPHXLQJNF-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CCCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 3536768 NGHRXOSCFBBZID-UHFFFAOYSA-N 369.468 2.260 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)C2CN(c3ccccn3)C2)cc1F 1888882079 ADDZYROUCHOQLT-UHFFFAOYSA-N 365.430 2.129 0 40 FEAB COc1ccc2sc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc2c1 1889149056 NZCPUNMLUHILBA-NSHDSACASA-N 367.496 2.356 0 40 FEAB O=C(c1ccnc(OCC2CC2)c1)N1CCN(Cc2cccnc2)CC1 244909789 AVLUHKGAAOKHOP-UHFFFAOYSA-N 352.438 2.223 0 40 FEAB O=S(=O)(c1cccnc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245026638 NEFKETPPAHOTDK-OAHLLOKOSA-N 355.419 2.472 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)cc1 4165836 DHSZXZKZAFSEHG-UHFFFAOYSA-N 373.416 2.207 0 40 FEAB CC[C@@H](C)NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 6732966 PTQQJMLUFTUIIG-CQSZACIVSA-N 365.433 2.461 0 40 FEAB O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccccc1Cl 575621570 POYJJVKECUADAU-GFCCVEGCSA-N 361.872 2.430 0 40 FEAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)cc1 70998941 JCWXGTVGXCXIAH-UHFFFAOYSA-N 364.409 2.311 0 40 FEAB CN(C)/C=C(/C(=O)N1CCCCC1)S(=O)(=O)c1ccc(F)cc1F 101954119 MAWDDTJHUANZQS-PTNGSMBKSA-N 358.410 2.154 0 40 FEAB COc1ccc(N[C@@H](C)C(=O)N2CCC(C)CC2)cc1NS(C)(=O)=O 32771553 XSWSZDWLCAXUCY-ZDUSSCGKSA-N 369.487 2.126 0 40 FEAB COc1ccc([C@@H](O)CNC(=O)NCCCn2cnc3ccccc32)cc1 41448080 AYBMXBULINJJNW-IBGZPJMESA-N 368.437 2.468 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 22843730 ULCQOPUROIOHGN-UHFFFAOYSA-N 374.418 2.422 0 40 FEAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 47202319 WRDGGRPYASKFNC-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB CCNC(=O)c1ccc(Sc2nnnn2-c2ccc(Cl)cc2)nn1 79092073 FUBZDMCSAKJSFH-UHFFFAOYSA-N 361.818 2.007 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2c(F)cccc2F)CCN1c1ccccc1F 79028082 GVRLZXOWGCJOPZ-CYBMUJFWSA-N 370.352 2.188 0 40 FEAB CC(=O)N[C@@H](ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl 1625457 ABRCGZKQANLGTM-NSHDSACASA-N 353.589 2.176 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 2752285 VSUQKKOSJVKIKA-FZKCQIBNSA-N 359.378 2.236 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 2809205 AHDKFRVLBWANDH-GEEKYZPCSA-N 357.797 2.252 0 40 FEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccncc2)CC1 23800900 IWCCNMNJGPCLHN-UHFFFAOYSA-N 364.449 2.166 0 40 FEAB O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCCc2ccccc21 43077895 FWKASPPROHOZSX-UHFFFAOYSA-N 362.389 2.013 0 40 FEAB CCOCCCNC(=S)N1CCC(NC(=O)NC2CCCCC2)CC1 4909942 HQHFQVBYECUBJF-UHFFFAOYSA-N 370.563 2.384 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 24573432 CLJDUACSFZSVRD-QGZVFWFLSA-N 372.421 2.178 0 40 FEAB COc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 10543445 AVXOAPVNWHZVAF-UHFFFAOYSA-N 363.435 2.378 0 40 FEAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccccc1OC(F)F 3352371 YLDOUIQGJCTURW-UHFFFAOYSA-N 361.308 2.281 0 40 FEAB C[C@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1 58245176 HBFDUHCPKPCGFY-JKSUJKDBSA-N 358.486 2.310 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NCc2cccnc2N(C)C)cs1 48356354 YSDBTPQYCZXFNO-UHFFFAOYSA-N 361.471 2.058 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 12853500 NLCVMCDCHGAMDO-UHFFFAOYSA-N 370.780 2.212 0 40 FEAB Cc1cc([C@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)no1 45384086 PNRFSSVRGPRPRS-OAHLLOKOSA-N 358.446 2.390 0 40 FEAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl 12863920 QWAHMWTVBDCOQS-QGZVFWFLSA-N 373.840 2.051 0 40 FEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 29882849 KPHFJQNXNDSUDB-UHFFFAOYSA-N 368.433 2.220 0 40 FEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(F)cc1 28914918 UQJFDCNLAIRKFX-AWEZNQCLSA-N 370.428 2.327 0 40 FEAB CCN(CC)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl 22681885 OWTMIGVTUIXTFG-MRXNPFEDSA-N 364.877 2.447 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 29835953 HJLFUWASFISRHP-KSSFIOAISA-N 357.429 2.363 0 40 FEAB C[C@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 12989124 YRYVNBWNEMTNEP-YVEFUNNKSA-N 373.840 2.270 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1COc2ccccc2O1 6055291 JGQWYEHERUSFLN-SJCJKPOMSA-N 357.362 2.405 0 40 FEAB CC(=O)Nc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 5036516 KZLFPVNVVODPAP-UHFFFAOYSA-N 350.382 2.246 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1n[nH]c2nc3ccccc3n12 4267071 VRBJEESZOWZWGB-UHFFFAOYSA-N 372.435 2.102 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CC[C@@H]3CCCC[C@@H]3C1)n2C 49972402 ZTCWNAJGRKEFRZ-LSDHHAIUSA-N 373.501 2.236 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1 14094036 MIGGBMFNRAZABZ-UHFFFAOYSA-N 374.462 2.295 0 40 FEAB Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)NCc1ccco1)S2 9236482 ZBYDWVZZGTUGKG-CABCVRRESA-N 355.423 2.255 0 40 FEAB Cc1ccc(-c2nnn(CN3CCN(C(=O)c4ccccc4)CC3)n2)cc1 14248690 AHZVIILGDJIADC-UHFFFAOYSA-N 362.437 2.064 0 40 FEAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CC1 14244676 FUHLOIKPSSZTKV-CYBMUJFWSA-N 372.494 2.221 0 40 FEAB CCOc1ccc(CN(C)C[C@@H](O)COC[C@@H]2CCCO2)cc1OC 6939297 BKQWMVSPNUAXKC-SJORKVTESA-N 353.459 2.082 0 40 FEAB Cc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 7417115 YTNKBWQYELKYGS-UHFFFAOYSA-N 372.446 2.198 0 40 FEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 16553448 MATJLDANUHDGTA-SNVBAGLBSA-N 374.422 2.024 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)nc1 92005635 FELGQPIMQFXHDS-CYBMUJFWSA-N 358.467 2.401 0 40 FEAB C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(-n2ccnc2)cc1 18047605 LBWUGALYTMGXNL-HNNXBMFYSA-N 373.416 2.460 0 40 FEAB O=C(Cc1ccc(F)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 72331079 FQOKTEWLZZAHOG-UHFFFAOYSA-N 374.387 2.399 0 40 FEAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@H]1CN1CCOCC1 73819000 RHGGGIWFGJDUIK-FQEVSTJZSA-N 372.513 2.162 0 40 FEAB O=C(NCCc1cc(F)cc2c1OCOC2)N[C@H]1c2ccccc2C[C@@H]1O 84579422 RBVNRBIENVGCTA-ROUUACIJSA-N 372.396 2.192 0 40 FEAB CCNC(=O)CN(CC)C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 89977400 FNYOBLJJVDJQGB-UHFFFAOYSA-N 355.479 2.008 0 40 FEAB Cc1ccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)s1 306141307 VREJLQUQXXZLPS-QGZVFWFLSA-N 363.508 2.375 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(F)cc1 111880923 LRMQPIXQUBACGK-LBPRGKRZSA-N 374.343 2.500 0 40 FEAB CCOc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1 408696889 FTEFYMFGQTZTRH-UHFFFAOYSA-N 352.456 2.106 0 40 FEAB CN1CCC(Oc2ccc(CNC(=O)c3ccn4ncnc4c3)cc2)CC1 1553930577 FYBIUFRTDGOXQQ-UHFFFAOYSA-N 365.437 2.132 0 40 FEAB C[C@@H]1Cc2ccc(-c3cc(COC(=O)c4ccc(=O)n(C)n4)no3)cc2O1 38769235 QNQZIKVWIKNQGN-LLVKDONJSA-N 367.361 2.116 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCCCc2ccccc2)cc1OC 73743394 ZSJOWOJFDWDLKU-UHFFFAOYSA-N 370.449 2.112 0 40 FEAB C[C@H](N)C(=O)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 79393214 MVDZQNSMUMSWJI-RDJZCZTQSA-N 359.470 2.373 0 40 FEAB O=C(NCCc1cccs1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 40070141 MEPUSWXAFKWBRD-UHFFFAOYSA-N 368.455 2.300 0 40 FEAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225881790 LDOXZSCUJHKMHJ-UHFFFAOYSA-N 361.500 2.324 0 40 FEAB O=C(NCc1cccs1)N1CCN(C[C@@H](O)c2cccs2)CC1 85466951 BJMVPUBCUATUOU-CQSZACIVSA-N 351.497 2.370 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccnc1 40625602 WYJZAYJYDXADHF-UHFFFAOYSA-N 361.423 2.127 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCC1CCCCC1 224555863 CWTZUOCMJURMFO-UHFFFAOYSA-N 364.467 2.308 0 40 FEAB CN1CCN(Cc2cccnc2)[C@@]2(CCN(Cc3ccsc3)C2)C1=O 96229605 UTKVTQWUSKNFKT-LJQANCHMSA-N 356.495 2.062 0 40 FEAB COCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)C[C@@H]1COC 96206530 SFYUJIHVLGFXJJ-GOSISDBHSA-N 350.503 2.463 0 40 FEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(OCCn3cccn3)cc1)CC(=O)O2 95477776 CVPPSIMWANETER-MRXNPFEDSA-N 365.389 2.400 0 40 FEAB CCOC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648571 RBAFYCGFHZOGBJ-OTWHNJEPSA-N 361.463 2.369 0 40 FEAB O=C(COc1ccccc1Cl)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257329259 XJCNNLXNHZPVKC-IIDMSEBBSA-N 352.862 2.213 0 40 FEAB C[C@]1(c2ncc(CNS(=O)(=O)c3cccs3)cn2)CCCCO1 257320998 VZQRYBIXQQJJQW-OAHLLOKOSA-N 353.469 2.432 0 40 FEAB C[C@@H](C(=O)N1Cc2ccccc2OC(C)(C)C1)n1cnc2c(N)ncnc21 614944949 NAUSQSYFOKHHIO-LBPRGKRZSA-N 366.425 2.169 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 643714629 XMHXCMMSCUATAV-INIZCTEOSA-N 353.344 2.460 0 40 FEAB COc1ccc(C[C@@H](C)CNC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1OC 664551472 TUBNVVZQCWSQHU-MLGOLLRUSA-N 372.412 2.294 0 40 FEAB Cc1ccoc1C(=O)N1CC2(C[C@@H](COCc3ccccn3)CN2C)C1 585093907 OOOUEIYGCGFYFS-MRXNPFEDSA-N 355.438 2.346 0 40 FEAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cncn1 76041747 DUHJWSFYPOCSQL-GJZGRUSLSA-N 365.478 2.258 0 40 FEAB Cn1nc2c(cc1=O)CN(C(=O)N[C@H](c1ccccc1)C(F)(F)F)CC2 548498775 NMDASECOPSFIIG-OAHLLOKOSA-N 366.343 2.152 0 40 FEAB COCc1ncc2c(n1)CCN(C(=O)N[C@H](C)c1ccccc1OC)C2 632824861 PQKFUYBJBVSMKS-CYBMUJFWSA-N 356.426 2.461 0 40 FEAB O=C(NCCc1ccccc1F)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000147 URPPOASFZHRJQI-SJLPKXTDSA-N 371.412 2.152 0 40 FEAB COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 12648130 YNXDAUACWMTLKX-INIZCTEOSA-N 356.378 2.483 0 40 FEAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(=O)OC)c3ccccc32)cc1 17083437 IUIHDIHOAPXGAZ-OAQYLSRUSA-N 367.401 2.229 0 40 FEAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)CC[C@@H]2CCCO2)n1 19585340 CXNDHSZOXICPLB-INIZCTEOSA-N 369.469 2.223 0 40 FEAB COc1cccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1OC 21055934 ZMKIZSPQMKEIBS-ZIAGYGMSSA-N 350.459 2.321 0 40 FEAB COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 7736799 UWQMAXHJKRVKPA-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB Cn1ncc2c(N3CCN(c4nsc5ccccc45)CC3)ncnc21 1888921819 SBXGBNIIRBQAHZ-UHFFFAOYSA-N 351.439 2.300 0 40 FEAB CCOC(=O)c1ccc(O[C@H]2CCC[C@@H](N(C)Cc3ncc[nH]3)[C@@H]2O)cc1 2037888054 PMXPUUNFDBHOQS-AOIWGVFYSA-N 373.453 2.379 0 40 FEAB CC(F)(F)CNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 579447879 GGEIFRWFUJVRPG-UHFFFAOYSA-N 358.160 2.081 0 40 FEAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 10383270 BHUIHDMKOCIELD-UHFFFAOYSA-N 367.858 2.110 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(NC(C)=O)nn2)c1 11738649 VXDRKTPQDMIPSP-UHFFFAOYSA-N 359.411 2.124 0 40 FEAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(CCc1ccccc1)CN2 19938911 LGNLMYNVNKOLIJ-UHFFFAOYSA-N 366.396 2.093 0 40 FEAB CCc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C)ncn4)C[C@H]3C2)cc1 1775976332 YURQQOJKUHRMTD-IRXDYDNUSA-N 372.494 2.104 0 40 FEAB Cc1nsc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 2298049583 FWMLBDKFQBXUQY-UHFFFAOYSA-N 357.439 2.284 0 40 FEAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1sc2ccccc2c1Cl 955992 HDYGFENINIRPHY-SNVBAGLBSA-N 366.826 2.058 0 40 FEAB COC(=O)Cc1csc(NC(=O)CCc2nc(C(C)(C)C)no2)n1 40091851 ABRFCPDGPXEHPB-UHFFFAOYSA-N 352.416 2.110 0 40 FEAB CC(=O)N1CCc2cc(N[C@@H]3CC(=O)N(Cc4ccccc4)C3=O)ccc21 32771789 KMNITZZTEWMVFT-GOSISDBHSA-N 363.417 2.335 0 40 FEAB O=C(NCc1ccccc1Cn1cncn1)c1ccccc1-n1cccn1 52614815 TUGVWCJJBZKQQL-UHFFFAOYSA-N 358.405 2.442 0 40 FEAB CCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1C 52876178 BVVHKWQDWAKIJB-UHFFFAOYSA-N 358.442 2.107 0 40 FEAB COc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 22697943 HXUWRPPFJXOHJT-SFHVURJKSA-N 358.438 2.329 0 40 FEAB CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2)CC1 77152548 HOENHQLJHFJTEU-ICSRJNTNSA-N 359.514 2.498 0 40 FEAB CCN(CC)[C@@H](CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1 23196893 AWJHYEMMZZPQGZ-GOSISDBHSA-N 371.481 2.469 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 78720281 LFHGIHIBVZPEMC-MRXNPFEDSA-N 352.843 2.327 0 40 FEAB COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CSC(=O)C1 4898556 UOZWJLOCHMBJTH-LBPRGKRZSA-N 364.467 2.223 0 40 FEAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680304 YCDXWKSIZLZYES-UHFFFAOYSA-N 368.436 2.257 0 40 FEAB CCOc1cccc(/C=N/n2cnc3ccccc3c2=O)c1OCC(=O)O 6965017 PUABDHTYPUSQHL-UFFVCSGVSA-N 367.361 2.141 0 40 FEAB COc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 8169209 QTAJLNXYKOBAID-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB Cn1/c(=N\C(=O)Cn2ncc3ccccc3c2=O)sc2ccccc21 24830309 IXGCAJWGHLAWNK-CZIZESTLSA-N 350.403 2.077 0 40 FEAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@@H]1COCCO1 55844754 BBYSMKGPPYMWGV-MVGZEHJDSA-N 361.829 2.379 0 40 FEAB c1ccc(-n2nnnc2CNc2cccc(-c3nnnn3C3CC3)c2)cc1 55833205 BVRQZNOJJSNRSS-UHFFFAOYSA-N 359.397 2.263 0 40 FEAB CC(=O)NCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 12567758 QKOSWMGPTHTVCL-UHFFFAOYSA-N 361.785 2.167 0 40 FEAB O=C1OCC[C@H]1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 25390259 JPMFMELTFQRYHE-LJQANCHMSA-N 364.445 2.278 0 40 FEAB CC[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1OCC(=O)NC 56114977 WORSNUXRXYFLRM-CYBMUJFWSA-N 368.480 2.303 0 40 FEAB COc1ccc([C@@H]2CCCCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57373558 VLSYWIROWHABRO-SFHVURJKSA-N 357.454 2.210 0 40 FEAB CNC(=O)NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 58172614 KDGJTIQHIFBQMV-LBPRGKRZSA-N 358.442 2.200 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58190876 UTYZAIWYMIOKAT-GTNSWQLSSA-N 353.378 2.044 0 40 FEAB CCn1c(CCC(N)=O)nnc1SCc1ccn(-c2ccccc2)n1 58224736 PTSZNCBARMQGQK-UHFFFAOYSA-N 356.455 2.194 0 40 FEAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cn1cnc2c(cnn2C)c1=O 58201957 WWRXSALATOONEF-AWEZNQCLSA-N 367.453 2.003 0 40 FEAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNS(C)(=O)=O 58229085 BYRUCWWGWPMIMZ-SECBINFHSA-N 353.271 2.452 0 40 FEAB Cc1ncc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cn1 108526221 UUAKZWFJHFAATR-KRWDZBQOSA-N 354.458 2.201 0 40 FEAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)CCOc1ccccc1F 29141283 ALHSUYVXMTYYPP-NSHDSACASA-N 365.430 2.324 0 40 FEAB CNC(=O)CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 60847323 AHNLEJFIHLJGAI-UHFFFAOYSA-N 367.478 2.226 0 40 FEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 12986655 VAEIRYYESAZETE-CYBMUJFWSA-N 365.282 2.424 0 40 FEAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c1 9157098 BTTNGXPBRAJWHU-HNNXBMFYSA-N 372.494 2.305 0 40 FEAB COc1cccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1OC 4118997 GWSIIJMTHPMFRI-LCYFTJDESA-N 371.443 2.444 0 40 FEAB O=C(Nc1ccccc1C(=O)NCc1ccccn1)C(=O)NC1CCCC1 13733383 IYVNCNZWDIAAOZ-UHFFFAOYSA-N 366.421 2.009 0 40 FEAB COCc1nc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)no1 96002293 IORLRNVJSZKAJQ-UHFFFAOYSA-N 357.313 2.178 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14140703 FQKIPROECVQBJF-SFHVURJKSA-N 361.461 2.278 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc2c(c1)OCO2 14117401 IAOOHTAJRZPLDS-VQHVLOKHSA-N 363.373 2.324 0 40 FEAB CCCCNC(=O)CN1CCN(c2ncnc3cc(Cl)ccc23)CC1 14200281 IXKPAXSIQIBMPC-UHFFFAOYSA-N 361.877 2.322 0 40 FEAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccccc1Br 5415555 BDMKEVBGRZDPGD-BQYQJAHWSA-N 356.172 2.050 0 40 FEAB COC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 7030075 BCHLFNLVFZWWIA-LBPRGKRZSA-N 357.362 2.286 0 40 FEAB O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1C(F)(F)F 9483989 XBTXGKRBJMABOG-MJBXVCDLSA-N 355.360 2.433 0 40 FEAB COc1ccccc1[C@H]1N=C(NCc2ccco2)Nc2nc(C)cc(=O)n21 9426321 PDXKHIVULZTOQZ-KRWDZBQOSA-N 365.393 2.272 0 40 FEAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 7305018 XVMIUEUQSANZCT-MRVPVSSYSA-N 370.780 2.245 0 40 FEAB C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 9516834 JASSBSPBSFFUAY-GFCCVEGCSA-N 360.435 2.433 0 40 FEAB CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 81322861 JSPFSDGIRNLZMY-IBGZPJMESA-N 373.497 2.390 0 40 FEAB C[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)c1ccc2c(c1)OCCO2 8036405 ADCYVRNNIJYZEH-GFCCVEGCSA-N 354.362 2.243 0 40 FEAB CCCCn1c(-c2ccc(OC)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 16839388 UHENAVPTMRLSED-UHFFFAOYSA-N 367.409 2.152 0 40 FEAB Cc1ncc(S(=O)(=O)Nc2ccc(I)cc2)[nH]1 70069396 WRCPXJAWHPNFOF-UHFFFAOYSA-N 363.180 2.124 0 40 FEAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cnn(-c2ccc(F)cc2)n1 95983613 SSHRFKMJYLZDEH-KBXCAEBGSA-N 360.389 2.258 0 40 FEAB Cc1c(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cnn1CCO 89544802 GFFBVIFLTVTKIT-KBPBESRZSA-N 373.457 2.441 0 40 FEAB Cc1nnc2n1C[C@@H](C(=O)N1CCC[C@H]1c1ccc3c(c1)OCO3)CC2 89740843 XOUUOLCXWJFOHU-GJZGRUSLSA-N 354.410 2.241 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 409393094 VHAOYYWVBMIFGZ-OAHLLOKOSA-N 366.483 2.027 0 40 FEAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2nc(O)[nH]c2c1 408599457 HLZBUELNXQWHGW-UHFFFAOYSA-N 355.350 2.497 0 40 FEAB CCCc1nnc(SCC(=O)Nc2cc(C)on2)n1C[C@H]1CCCO1 35312424 YQAAUTJXJPTCSW-GFCCVEGCSA-N 365.459 2.437 0 40 FEAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]32)c1 33274064 KHHFFONFXRHVRC-CVEARBPZSA-N 370.340 2.341 0 40 FEAB O=C(C1=COCCO1)N1CC(Oc2nc3c(Cl)cccc3s2)C1 75166709 MJDVZOHIFBETEM-UHFFFAOYSA-N 352.799 2.428 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 44388894 ZXJHYWDRXMJZHE-RDTXWAMCSA-N 364.511 2.414 0 40 FEAB COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1C 191444617 WIWPYEROGVRIAT-ZJUUUORDSA-N 370.247 2.049 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1sccc1-n1cnnn1 40093131 DPUZQHMYLUUUAS-CYBMUJFWSA-N 374.495 2.352 0 40 FEAB Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1[C@H](C)C1CC1 529911610 VNINXLAUOLDPQI-MRXNPFEDSA-N 360.502 2.489 0 40 FEAB Cc1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 222759531 NWBBLZOWUSQJSE-UHFFFAOYSA-N 374.462 2.213 0 40 FEAB Cc1nc(N2CCN(C(=O)Cc3cccnc3)CC2)cc(C(F)(F)F)n1 225733535 ZVPAGLXLVYEXRA-UHFFFAOYSA-N 365.359 2.090 0 40 FEAB COC(=O)c1cc(NC(=S)NCCN2CCCC2=O)ccc1Cl 225812251 COUYHFKTIJYXSL-UHFFFAOYSA-N 355.847 2.035 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96084737 NJCDJJLWFJNPMW-UHFFFAOYSA-N 371.460 2.378 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223005 JPTWRRGPARKDFH-KXBFYZLASA-N 356.401 2.492 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCCC1)CN(C(=O)c1ccncn1)C2 96044961 DWDNLGJQWLBSJZ-OAHLLOKOSA-N 355.442 2.157 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)C1 96100153 FOZDWTVFSMIZGG-NRFANRHFSA-N 364.449 2.174 0 40 FEAB CSCC[C@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 230213683 JQEDMXSCAMJPJC-CYBMUJFWSA-N 365.503 2.315 0 40 FEAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2cccc3c2n(c1=O)CCC3 95472876 OTEKVWGNRTXUPD-CQSZACIVSA-N 367.405 2.380 0 40 FEAB COc1ccc(-c2nn(CC(=O)N3CCCCCC3)c(=O)cc2OC)cc1 96183156 DAFKEBWGXJBPGE-UHFFFAOYSA-N 371.437 2.330 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 242339225 ZGBHLTFSYAAOKX-ZIAGYGMSSA-N 373.469 2.357 0 40 FEAB CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2cncn21 253380505 AVOPEBLQDKDARY-MRXNPFEDSA-N 357.410 2.278 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1Cl 257250022 JKRSYAUEZGAEBS-PBHICJAKSA-N 360.845 2.299 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1 585986794 DMIZRTRGJOSZFH-UHFFFAOYSA-N 356.378 2.081 0 40 FEAB C[C@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 253603371 KJIXZEHJTYWXJD-CGHHPOIWSA-N 360.502 2.216 0 40 FEAB COc1ncccc1C(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257326665 WYDBUMDZKWBUOS-DZIWXPPMSA-N 357.454 2.484 0 40 FEAB CO[C@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)[C@@H]1CCOC1 666562924 YNFAFTBCHWINGF-PXAZEXFGSA-N 373.384 2.463 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 630222266 FUDPRQFHNAAATM-FRRDWIJNSA-N 350.381 2.363 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 585103350 ATINHBYLJBRXCF-HRAATJIYSA-N 365.433 2.047 0 40 FEAB CC(=O)N1CCC(N2CCC(O)(COc3ccccc3F)CC2)CC1 585281719 QDKYAPPLNPLGEZ-UHFFFAOYSA-N 350.434 2.042 0 40 FEAB COCCN1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 585101770 FKTVEOGKDNMTAW-INIZCTEOSA-N 357.376 2.427 0 40 FEAB CN(C)C[C@H](CNC(=O)Nc1ccc(N(C)C)nc1)[C@@H](O)c1ccccc1 48091795 CMMLMPAXAPOANN-LPHOPBHVSA-N 371.485 2.181 0 40 FEAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 58161581 XZRKHJCWWIEJEY-SNVBAGLBSA-N 351.346 2.210 0 40 FEAB CN(C(=O)c1cocn1)[C@@H](CNC(=O)c1cocn1)c1ccc(F)cc1 673842046 BCFCOAIMTONHHU-HNNXBMFYSA-N 358.329 2.045 0 40 FEAB CNc1cc(N2CCC[C@H]2CNc2nc3cc(OC)ccc3o2)ncn1 582901450 ILXGZSKBRSZGGN-LBPRGKRZSA-N 354.414 2.749 0 40 FEAB Cc1nnc([C@H]2CN(CC(=O)N3CCCc4ccccc43)C[C@@H](C)O2)o1 661932930 JFNKDGICNAZPNC-CXAGYDPISA-N 356.426 2.119 0 40 FEAB Cc1c(C(=O)NC(=S)NCCCN2CCOCC2)oc2ccccc12 19913695 OBGMFOPFNKISQM-UHFFFAOYSA-N 361.467 2.068 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)c1ccc2c(c1)nnn2CC 17864107 FSBSIGWWPIAQMF-UHFFFAOYSA-N 351.410 2.382 0 40 FEAB COCC(=O)NCCn1cc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 19291550 LLZGJPMOOZDGHG-UHFFFAOYSA-N 373.844 2.367 0 40 FEAB Cc1cc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)ncn1 1888865767 TYXBZMDCZFFISZ-UHFFFAOYSA-N 351.410 2.223 0 40 FEAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(F)c3)CC2)n1 1889119431 DKZRRYJMIKSKCX-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)ccc1C 837440 XTDVPISSYATFGJ-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB COc1ccccc1N1CCN(c2ncnc3c2nc(O)n3C2CC2)CC1 2086868891 XBGBYGSVXKATGT-UHFFFAOYSA-N 366.425 2.202 0 40 FEAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)O)n1C 72328124 FWHHUNQLPXOYNX-MRVPVSSYSA-N 354.819 2.136 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCCC2)nc1 30299185 UTEFKUIDFAXAPA-HNNXBMFYSA-N 352.438 2.117 0 40 FEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CC=C(c2ccc(F)cc2)CC1 101745531 WCQZXBOYFRNQRH-HDICACEKSA-N 368.408 2.393 0 40 FEAB COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)cc1OC 101868876 JSWWQQKNSHJRFE-JKSUJKDBSA-N 360.454 2.296 0 40 FEAB O=C(NC[C@H]1CCCO1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 32975821 ZOJRANZZKQMHKK-MRXNPFEDSA-N 364.401 2.392 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H]1COc2ccccc2C1 53042490 OPGSXXNTIWYADX-HNNXBMFYSA-N 351.358 2.292 0 40 FEAB Cc1ccccc1N1CCN(CCCN2C(=O)[C@H]3CCCCN3C2=O)CC1 633302 UAFQQJVDGPMBPO-LJQANCHMSA-N 370.497 2.324 0 40 FEAB C[C@@H](c1ccccc1)n1cnnc1SCc1nc(N)nc(N(C)C)n1 53840508 ROZDRLOATZERME-NSHDSACASA-N 356.459 2.013 0 40 FEAB C/C(Cl)=C/Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 801665 UKTQUJYTMUHQNO-LUAWRHEFSA-N 365.865 2.321 0 40 FEAB O=C1N[C@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 915108 SMLKJICDHLUSRA-MISXGVKJSA-N 371.340 2.247 0 40 FEAB Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23561588 LXROLNUXAURRDK-SFHVURJKSA-N 361.417 2.163 0 40 FEAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 3379586 DPILANPKWXRLGO-LLVKDONJSA-N 358.350 2.393 0 40 FEAB Cc1ccn2c(=O)nc(SCC(=O)N3CCCc4ccccc43)nc2c1 4503769 BUKRDBGRYJHYTH-UHFFFAOYSA-N 366.446 2.469 0 40 FEAB CC(C)Cc1nnc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)s1 24103743 QYJHWSMOGVMCHU-UHFFFAOYSA-N 357.439 2.165 0 40 FEAB COc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1OC 8091340 RYJZFEYVUCNXRJ-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB Cc1sc2ncn(CCC(=O)N[C@@H](C)c3cnn(C)c3C)c(=O)c2c1C 25002929 ULWPKBYLOKWFBH-NSHDSACASA-N 373.482 2.384 0 40 FEAB C[C@@H](COc1ccccc1F)NC(=O)Cn1cnc2ccccc2c1=O 55673984 CQNQOAZMFSVEEN-ZDUSSCGKSA-N 355.369 2.119 0 40 FEAB CCc1ccc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1 26143109 OQUSUTWJYNXATG-UHFFFAOYSA-N 355.438 2.030 0 40 FEAB CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 57088589 OHKMAFWVMCOEGZ-LLVKDONJSA-N 363.476 2.427 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)c(Cl)c1 35334264 LAUKINANLRXBHN-INIZCTEOSA-N 361.804 2.330 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 9236916 LBESSFUJFKBCBV-CQSZACIVSA-N 368.389 2.093 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 20021482 ODXCHIVYVTZGRE-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB CC(C)[C@H](CNC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 27631407 YTMLQLRNMCVQCM-INIZCTEOSA-N 367.453 2.076 0 40 FEAB O=C(NCC(=O)N1CCCC1)NCc1cc(F)ccc1Br 57036144 RIGOHOMYDACZGZ-UHFFFAOYSA-N 358.211 2.010 0 40 FEAB Oc1cccc([C@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)c1 10232564 DQCXJOOFUDXXKT-INIZCTEOSA-N 359.349 2.236 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)ccn1 48374087 APMMERSZPALAMG-UHFFFAOYSA-N 373.416 2.276 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1F 11283559 ZXHCIUOPVUKPTO-UHFFFAOYSA-N 361.417 2.251 0 40 FEAB COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1OCC(N)=O 29515776 PVJVVZIAVABZJV-GHMZBOCLSA-N 354.834 2.331 0 40 FEAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108531074 LSFQFOHLKCPYJP-NVXWUHKLSA-N 352.429 2.326 0 40 FEAB CCOc1ccc(OCCNC(=O)CSc2nncn2C2CC2)cc1 10649425 RRHFNTOVFNRART-UHFFFAOYSA-N 362.455 2.299 0 40 FEAB CCCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24548614 TXUGLDBZOIGOJF-UHFFFAOYSA-N 352.481 2.409 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1cccs1 12912733 MMIPCYFJUPSXPD-UHFFFAOYSA-N 366.464 2.219 0 40 FEAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@@H]4C2=O)no1 9184039 QHAUMDGSWYJDRN-PSFFPDNBSA-N 369.352 2.047 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)c1 9486008 JRCNDAPJZPLZMF-UHFFFAOYSA-N 374.788 2.234 0 40 FEAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 7305015 XVMIUEUQSANZCT-QMMMGPOBSA-N 370.780 2.245 0 40 FEAB CC(C)(C)OC(=O)N1CC(OCC(=O)N(Cc2ccncc2)C2CC2)C1 72311884 UXFCYJLJMUMGNC-UHFFFAOYSA-N 361.442 2.209 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(C)c1 16446858 QMLADOGOQZYONO-KGLIPLIRSA-N 351.424 2.122 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1CCCO1)c1cccc(Cl)c1 8498689 NRUHQWIYKFPZPG-HNNXBMFYSA-N 374.890 2.181 0 40 FEAB Cc1nnc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)n1Cc1ccccc1 17819535 OOYNJCSNNLWBOY-OKILXGFUSA-N 360.483 2.363 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8769927 YZNQPEJYNZRURM-CYBMUJFWSA-N 370.421 2.154 0 40 FEAB NC(=O)c1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 8943155 JMQDMGHMPTZGHD-UHFFFAOYSA-N 358.195 2.306 0 40 FEAB CC(C)CN1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1 84544240 QLGHUPGMYUCMOM-UXHICEINSA-N 371.525 2.314 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCCC1 408588706 DRMYSZKFIKXDCT-AWEZNQCLSA-N 354.472 2.073 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc[nH]n1 95998438 DHQBQKRYFLUOPC-QGZVFWFLSA-N 351.410 2.426 0 40 FEAB C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 22230447 YJXMBCLISMKEPP-AWEZNQCLSA-N 362.451 2.339 0 40 FEAB Cc1ccc(OCC(=O)NC(=S)NCc2ccc(C(=O)O)cc2)cc1 20153648 UMSLFYILTASVHU-UHFFFAOYSA-N 358.419 2.263 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)c1ccc(F)cc1 4577469 RUVOWUNOEXTAMB-INIZCTEOSA-N 365.286 2.391 0 40 FEAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1nc2ncccn2n1 36618803 XORRSXZEKSTRPS-UHFFFAOYSA-N 365.372 2.377 0 40 FEAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)c1 35425104 XPWANJCFCJXZQG-KRWDZBQOSA-N 374.441 2.473 0 40 FEAB biogenic,in-vitro CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217445809 IDRMIYFPNUKBKJ-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@H]1C(C)C 30880300 NKCPVLNVIPRTEW-BZSNNMDCSA-N 366.550 2.228 0 40 FEAB biogenic,in-vitro COc1ccc(OC)c([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 38541249 OQIIVSXXNYALGJ-CZUORRHYSA-N 365.474 2.303 0 40 FEAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)C1 72374041 CVHBRNGYMBASNW-MRXNPFEDSA-N 357.433 2.159 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(SC)s2)cc1 225688398 LRFMKVXQZZDUOZ-UHFFFAOYSA-N 358.470 2.274 0 40 FEAB COc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 95101352 HVZJRELUYWVPSK-URLQWDBASA-N 360.410 2.131 0 40 FEAB CC(C)(C)c1nnc(CNS(=O)(=O)c2cccc3c2OCC3)s1 583557936 DECDFJZJZXFPPB-UHFFFAOYSA-N 353.469 2.249 0 40 FEAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccccn2)cs1 96056591 ZTDVUOMWUBMOQQ-HZPDHXFCSA-N 356.451 2.252 0 40 FEAB Cc1cc(N2CCC(N(C)C(=O)c3cn(C)nc3C3CC3)CC2)nc(C)n1 585085510 SEXOVOMIPGOXEA-UHFFFAOYSA-N 368.485 2.445 0 40 FEAB Cc1nc(CN2CCC[C@@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1 96226706 TZSCEFGDUNFSLO-QGZVFWFLSA-N 352.504 2.236 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247891242 YSJHDTNGZNDANW-CYBMUJFWSA-N 354.497 2.286 0 40 FEAB Cc1ncsc1CN1CCCC[C@@H]1c1ccnc2c(C(N)=O)cnn12 257251206 JPWFQABUPQLIBD-CYBMUJFWSA-N 356.455 2.320 0 40 FEAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257288551 PUQLYKIUEPSLJI-INIZCTEOSA-N 354.458 2.117 0 40 FEAB CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cs1 257344870 ZYZPFXQKJBPZRJ-BFYDXBDKSA-N 352.500 2.216 0 40 FEAB c1cnc(Nc2cc(CC3CCN(Cc4c[nH]cn4)CC3)ncn2)cn1 257265324 LYFDIHMNMQDRAI-UHFFFAOYSA-N 350.430 2.188 0 40 FEAB CC(C)c1ncc(Cl)c(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)n1 273988049 LGQWCVXQZVGMKL-UHFFFAOYSA-N 364.793 2.134 0 40 FEAB C[C@@H]1Oc2c(cccc2C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)NC1=O 630271077 DRBUDVKAKBYNFX-JUFZMCDQSA-N 358.394 2.121 0 40 FEAB C[C@H](c1ccccc1)n1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)cn1 646442765 WAVBAFRSRQRLTP-AEFFLSMTSA-N 371.485 2.461 0 40 FEAB Cc1cnc(OC2CCN(c3nccc(N[C@@H]4CCCOC4)n3)CC2)nc1 656214380 UFJMSWOBZSYCQD-OAHLLOKOSA-N 370.457 2.214 0 40 FEAB CO[C@@H](CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C)c1ccccc1 1775959621 KXJGDDQCARTLLO-ZOBUZTSGSA-N 357.410 2.172 0 40 FEAB O=C1C[C@@]2(COCCN(Cc3ccccc3)C2)CN1Cc1cncs1 585103595 DZCNLGHXCBYCQJ-IBGZPJMESA-N 357.479 2.394 0 40 FEAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc(C)c(C(=O)O)s1)C2 679400867 WWZHMFHXIVPKHU-NSHDSACASA-N 362.407 2.026 0 40 FEAB NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)Cn1ccc2ccccc21 685941806 IRCIPDYCBLPMKY-MRXNPFEDSA-N 351.410 2.217 0 40 FEAB CC1CCN(C(=O)c2ccc(NC(=O)Nc3cnn(CCO)c3)cc2)CC1 69294377 OQQZUKWOLCEDHH-UHFFFAOYSA-N 371.441 2.392 0 40 FEAB Cc1cc(Br)oc1C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 76042512 BTJNZHUELCXLGI-ZJUUUORDSA-N 364.261 2.388 0 40 FEAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN1S(C)(=O)=O 5001614 SYGZPCVFNPTSDV-CYBMUJFWSA-N 352.485 2.204 0 40 FEAB COc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 5078889 LOIPUKGFBPADKK-UHFFFAOYSA-N 374.418 2.140 0 40 FEAB CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 5761922 HFKNJQYMAGMXTR-LQKMLEOGSA-N 368.470 2.222 0 40 FEAB Cc1ccnc2nc(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)nn12 12820376 OJIZPOULCFQUPG-MRXNPFEDSA-N 367.409 2.331 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC[C@H](c1ccco1)N(C)C)(C3)C2 13129125 QQYANPIIHVTJET-LNYVXCIOSA-N 373.497 2.474 0 40 FEAB CCN(CC)C(=O)CSc1nc(O)c(Cc2ccc(F)cc2)c(=O)[nH]1 13454005 CIIPQDOYASWIMZ-UHFFFAOYSA-N 365.430 2.166 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)[C@H](C)Cn3cncn3)C2)c2sccn12 19240727 VZFYAWDPJGQWDT-OCCSQVGLSA-N 358.471 2.338 0 40 FEAB COc1ccc2nc(NC3=NCN(Cc4ccccn4)CN3)nc(C)c2c1 19330686 YMGDWBZDNZIILN-UHFFFAOYSA-N 363.425 2.130 0 40 FEAB O=c1ccc(-c2ccccc2)nn1C1CN(S(=O)(=O)C2CCCCC2)C1 19374090 IBWAMNURAGQLOR-UHFFFAOYSA-N 373.478 2.430 0 40 FEAB O=C(Nc1cc(F)ccc1N1CCCC1)[C@H]1CN(c2ncccn2)CCO1 19747269 PQPWAZRJIJVECO-QGZVFWFLSA-N 371.416 2.060 0 40 FEAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 8091538 KFIAIKKJQWDNOH-BJMVGYQFSA-N 359.165 2.068 0 40 FEAB O=C(NCCc1ccccc1)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 12229764 KKPXRHXXNOQICO-MRXNPFEDSA-N 373.478 2.093 0 40 FEAB C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F 554613240 UDXWGLTYOUOAJU-LRDDRELGSA-N 357.385 2.197 0 40 FEAB Cc1nc(N2CCN(c3ncnc4ncn(C)c34)CC2)cc(C(C)(C)C)n1 1888869488 DEBAVMYDTLBWCE-UHFFFAOYSA-N 366.473 2.086 0 40 FEAB Cn1nc(N2CCN(c3nc4c(Cl)cccc4s3)CC2)ccc1=O 2086992588 WDQFMIRXDZVYJZ-UHFFFAOYSA-N 361.858 2.370 0 40 FEAB CCn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)CCc1cncnc1)C2 1565545921 OSMWLOHCXNFFTR-GOSISDBHSA-N 369.469 2.178 0 40 FEAB CCCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)cn23)n(C)c1=O 4370422 ZZUSPUXOJUVKAH-UHFFFAOYSA-N 369.400 2.386 0 40 FEAB CCN1CCOc2ccc(NS(=O)(=O)c3ccccc3F)cc2C1=O 8961602 JYFWRZQPSSGXFF-UHFFFAOYSA-N 364.398 2.481 0 40 FEAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)no1 1775979020 XUVZNOZOTJSHLR-CQSZACIVSA-N 371.418 2.500 0 40 FEAB CC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)CC1 585410230 YBVJJXAVFPRHPG-FQEVSTJZSA-N 366.465 2.153 0 40 FEAB Cc1cc2ncc(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)c(N)n2n1 19664241 RSUOFVMIOGSBOA-OAHLLOKOSA-N 372.860 2.306 0 40 FEAB COc1ccc(C[C@](C)(O)CNC(=O)NCCOc2ccccc2)cc1 75170270 WXEOVAGTJIGAQR-FQEVSTJZSA-N 358.438 2.367 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 31436185 DXXZANKYWZJJFB-CQSZACIVSA-N 356.488 2.308 0 40 FEAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3ccc(C)cc3)n2)cc1 21172963 VCSTYQOSNVCLBL-UHFFFAOYSA-N 366.421 2.397 0 40 FEAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1C 32631923 PGNRBDNRUYQZEU-UHFFFAOYSA-N 362.407 2.162 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1 32869425 FIPHBXPCWZTGFV-UHFFFAOYSA-N 360.483 2.095 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 32854935 ACFQXFQNKFDMLT-UHFFFAOYSA-N 369.420 2.497 0 40 FEAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 32869269 BUQRTPDWKNBTPG-MRXNPFEDSA-N 367.405 2.415 0 40 FEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 940923 DYNAFPOGURXFNM-LLVKDONJSA-N 352.346 2.096 0 40 FEAB COCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 2880627 VAGCJPGMJPXOQM-JXAWBTAJSA-N 354.406 2.229 0 40 FEAB O=C(COc1ccc(Oc2ccccc2)cc1)N[C@H]1CCS(=O)(=O)C1 3181181 BZRMVXHGCADQFR-AWEZNQCLSA-N 361.419 2.161 0 40 FEAB Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)c(C)c1C(=O)NC[C@H]1CCCO1 3214664 AUWCTYRHLWMLHQ-IAGOWNOFSA-N 374.481 2.429 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2cccc(N(C)C)c2)cc1OC 3399952 YGCWJDAWHTWEMH-UHFFFAOYSA-N 372.421 2.243 0 40 FEAB O=C(O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 4538807 DKIDUEFGXKKXNI-YTBGYOSVSA-N 354.399 2.316 0 40 FEAB COC(=O)[C@H]1CN(C(=O)COc2ccccc2OC)c2ccccc2O1 6810822 IDMGLQNZAVCAKP-QGZVFWFLSA-N 357.362 2.041 0 40 FEAB O=C(CSc1nc2ncc(Br)cc2[nH]1)NC[C@H]1CCCO1 6909122 MWGGGPHTLZIZDI-SECBINFHSA-N 371.260 2.108 0 40 FEAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCc2ccccc21 7280994 MRMXLFHRRZKLFM-CQSZACIVSA-N 362.389 2.402 0 40 FEAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCOCC1 7576931 UISHYTPDJKEDMG-UHFFFAOYSA-N 354.432 2.372 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccn1 7719286 SYEPTCSDTWUNLS-DJJJIMSYSA-N 350.422 2.488 0 40 FEAB CC(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801687 WPHIHSFQSKXHIJ-UHFFFAOYSA-N 362.470 2.419 0 40 FEAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)c1 8261389 KEQFAUYBYRPHAP-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB COC(=O)c1cccc(NC(=O)CCNC(=O)C(C)(C)Br)c1 8733070 PNPVGOOGBHOPCI-UHFFFAOYSA-N 371.231 2.092 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(C(=O)C2CC2)CC1 8734331 BVKMHPCFPDYVJL-UHFFFAOYSA-N 366.465 2.112 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)NCCCCCC(=O)O)CC2 8764419 OIFMSEITKXMPJM-UHFFFAOYSA-N 350.415 2.417 0 40 FEAB biogenic CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC(C)C)c1c(C)cccc12 8843736 VCFOHFKWUHPYGO-SFHVURJKSA-N 374.466 2.153 0 40 FEAB NC(=O)Nc1cccc(C(=O)OCC(=O)NCCSc2ccccc2)c1 9337069 WEHFEUUEMBGBFG-UHFFFAOYSA-N 373.434 2.243 0 40 FEAB CCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccco1 9867185 SINKETXQOATMHA-SECBINFHSA-N 360.447 2.245 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2cccc(F)c2)c1 10549009 GQPWPUANUHFYKK-UHFFFAOYSA-N 350.415 2.446 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C3CCCCC3)nc12 12117669 CNXVBPPEQZIBMH-UHFFFAOYSA-N 355.442 2.262 0 40 FEAB O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ncccc1O 12644838 KHNAZVUFLKGDAZ-UHFFFAOYSA-N 364.199 2.308 0 40 FEAB CSc1nc(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n1C 13212179 DAXZZHLSMWMTDW-UHFFFAOYSA-N 358.464 2.411 0 40 FEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)NC1CCCC1 14202229 FOLOJAPCRGIUNK-WFASDCNBSA-N 350.415 2.025 0 40 FEAB O=S(=O)(c1ccc(CNCc2ccsc2)cc1)N1CCOCC1 17317413 OLQAHQLCYUGJEZ-UHFFFAOYSA-N 352.481 2.059 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCc3ccco3)n2)s1 19217475 JLEASGYSKOFALG-LLVKDONJSA-N 358.423 2.333 0 40 FEAB CCOc1nc(N(C)C)sc1-c1cncn1[C@H](C)CN1CCOCC1 19720031 QVMZFJVCTLAXKD-CYBMUJFWSA-N 365.503 2.365 0 40 FEAB CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc12 20220220 PNUKEGAUKMLQDY-UHFFFAOYSA-N 353.353 2.139 0 40 FEAB CCOc1ccccc1N1C[C@H](C(=O)NCCc2ccccn2)CC1=O 21773153 UWPLFXZIZGIISQ-OAHLLOKOSA-N 353.422 2.192 0 40 FEAB O=C(Cn1nc2cnc3ccccc3n2c1=O)Nc1ccccc1Cl 21774665 LBZAGKYZOFQXES-UHFFFAOYSA-N 353.769 2.336 0 40 FEAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 22531935 CWWBKNIJTGQWDP-LBPRGKRZSA-N 359.879 2.105 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CC1 22908123 QYRXKHQSXNERMB-KRWDZBQOSA-N 369.490 2.242 0 40 FEAB C[C@@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 22986899 KCFZTLCQMVXKDI-LLVKDONJSA-N 364.243 2.418 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1F)N1CCN(Cc2ccccn2)CC1 23732844 LHUZDGPMUFTLNL-UHFFFAOYSA-N 369.849 2.381 0 40 FEAB CCOc1ccc(CN(C)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1OC 24045625 DJCBKRNAMLCHKD-IBGZPJMESA-N 361.442 2.204 0 40 FEAB CCOc1ccc(Sc2cc(C)nc(Oc3ccc(=O)n(C)n3)n2)nn1 27532526 QLUNQJKKGIKIGY-UHFFFAOYSA-N 372.410 2.011 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCOCC1 27755050 UDRICTDDZSELBZ-ZDUSSCGKSA-N 352.696 2.369 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)c2cccnc2N2CCCC2)c1 29164469 VNYROXHHQGJPDX-UHFFFAOYSA-N 360.439 2.306 0 40 FEAB COc1ccc(Nc2nc(N3CCOCC3)c3nccnc3n2)c(OC)c1 32101271 VJVZMHOGLRABJW-UHFFFAOYSA-N 368.397 2.017 0 40 FEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 32795990 KRXXOVFWKCEMLX-SFHVURJKSA-N 356.447 2.429 0 40 FEAB COc1ccccc1COC[C@H](O)Cn1c(NCCO)nc2ccccc21 46342379 XMQZPWIMRAEAAF-MRXNPFEDSA-N 371.437 2.027 0 40 FEAB O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@@H]1c1ccsc1 46915454 HRPMBOTYVWXRLR-OAHLLOKOSA-N 365.480 2.175 0 40 FEAB C[C@@H](NC(=O)CSC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 55830036 JHCWNTVROGPQAG-SECBINFHSA-N 370.418 2.367 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3cc(F)ccc32)s1 56839196 UVJMZFCQKKAJCV-ZDUSSCGKSA-N 369.443 2.021 0 40 FEAB CCCCNC(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506424 RVDKMLIFJWODRH-UHFFFAOYSA-N 354.454 2.031 0 40 FEAB CCN(CC)C(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C1 57523205 KHVHJELZPKNVPJ-FUHWJXTLSA-N 371.481 2.207 0 40 FEAB COc1cccc(-c2n[nH]cc2CNCc2ccc(-n3cncn3)nc2)c1 57992867 MKRBOIHSMBQKAA-UHFFFAOYSA-N 361.409 2.351 0 40 FEAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)CC(=O)N4)CC2=O)cc1 58151038 LDGUEDUBPLYHBF-INIZCTEOSA-N 363.417 2.159 0 40 FEAB CCOc1ccc(CNC(=O)NC2CCN(C(=O)OC)CC2)cc1OC 58172300 NSCQHJNGHOWPQG-UHFFFAOYSA-N 365.430 2.124 0 40 FEAB O=C(NCCc1cccc(O)c1)Nc1cccc(Cn2cccnc2=O)c1 58192543 YOUGSMBDJXOYLI-UHFFFAOYSA-N 364.405 2.361 0 40 FEAB Cc1cc(Br)c(O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1 58393421 JJEVRIIVYZUYRV-UHFFFAOYSA-N 357.248 2.450 0 40 FEAB Cc1cccc(N2CCN(CCCNc3cn[nH]c(=O)c3Cl)CC2)c1 72277277 LOQIXBQZUUFMMB-UHFFFAOYSA-N 361.877 2.356 0 40 FEAB CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cnccn1 72347365 DRQVPJANNQOIBO-QGZVFWFLSA-N 360.377 2.002 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 72390978 UKHDHWZZIFNPTR-KBPBESRZSA-N 370.428 2.045 0 40 FEAB Cn1cc([C@H]2CN(C(=O)c3ccc(Br)s3)CCO2)cn1 75107466 LKSRTHNNJNZVIN-SNVBAGLBSA-N 356.245 2.458 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCCn3cccn3)nnc12 75358113 YAAZAUDZMXIIED-UHFFFAOYSA-N 354.439 2.443 0 40 FEAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C)CO 80350728 OWMFCNSHRAKQRP-UZLBHIALSA-N 368.477 2.456 0 40 FEAB CCOC(=O)C1=C(CSc2cnccn2)NC(=O)N[C@@H]1c1ccccc1 84792444 BMJDWUHPYFPYOO-MRXNPFEDSA-N 370.434 2.440 0 40 FEAB CNC(=O)c1cccc(C(=O)O[C@@H]2CCS(=O)(=O)c3ccccc32)c1 89391932 BADVRFWHBKREIW-OAHLLOKOSA-N 359.403 2.122 0 40 FEAB CC(C)(C)C(=O)NCC(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 89621305 DBQQRYZBDPLDRS-GOSISDBHSA-N 352.862 2.008 0 40 FEAB C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 95463363 LPSOYRIUAGMHOM-HNNXBMFYSA-N 369.469 2.425 0 40 FEAB CCOC(=O)C[C@@H](NC(=O)CSc1cn[nH]n1)c1ccccc1Cl 95471386 UQMHXKKOROGDLO-GFCCVEGCSA-N 368.846 2.361 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@@H]1OC 95942082 WYQCQMUFVKEPPF-MLHJIOFPSA-N 362.470 2.058 0 40 FEAB Cc1c(Br)cccc1C(=O)N1CCOC[C@@H]1c1ncon1 95981416 BQBHDCBVWASVJI-GFCCVEGCSA-N 352.188 2.354 0 40 FEAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCCC1)C2 96039586 LENVXRIJQVSSEP-QUCCMNQESA-N 350.503 2.463 0 40 FEAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)[C@@H]1CC=CCC1 96044459 GWKSRSNZKHIFJX-SJLPKXTDSA-N 359.470 2.396 0 40 FEAB O=C(c1c[nH]cn1)N1CCC2(CC1)C[C@@H](N1CCOCC1)c1ccccc12 96079235 XBVZIMWMMVQMPC-LJQANCHMSA-N 366.465 2.361 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 96108124 RTWLLPCHTOJXKY-PZJWPPBQSA-N 353.466 2.423 0 40 FEAB O=C(c1ccno1)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244328 UJEUFLDRYMZCAW-HXUWFJFHSA-N 362.389 2.446 0 40 FEAB CCOc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 96344797 CYZHIAQDNHNSLF-MRXNPFEDSA-N 353.378 2.165 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1Cl 100646800 QDSLCHJCYYXTEW-CEJCXVNZSA-N 363.797 2.328 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](c1ccc(F)cc1)C1CC1 101018673 VQXCOUROKWWXJG-CJBAZIHXSA-N 368.408 2.200 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(F)cc1 101113668 IATJNQPGUVJTFO-CJLVFECKSA-N 356.357 2.248 0 40 FEAB CCn1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1=O 108697265 IUAWGEZULNARSE-INIZCTEOSA-N 353.422 2.359 0 40 FEAB NC[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242722742 XTHXNLHYCFLGNL-UXLLHSPISA-N 365.838 2.309 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)cn1 248065432 DXPGMIXGIBVDJO-GOSISDBHSA-N 353.422 2.375 0 40 FEAB Cc1cccc(N2CCC[C@H](NC(=O)c3cc4c(nc3O)CCC4)C2)n1 257200091 ABYMKDKYOSLXRP-HNNXBMFYSA-N 352.438 2.378 0 40 FEAB CCn1nc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)cc1C 257200519 ADQYHZFUSLDKPL-SFHVURJKSA-N 355.442 2.220 0 40 FEAB O=C(CC1CCCC1)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257214313 CLNXMQCOIHIJIN-PSBWJHGTSA-N 351.418 2.154 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc[nH]n2)C1 257227520 FPSTUUQOCNIPGK-NSHDSACASA-N 369.450 2.351 0 40 FEAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 257249967 JKLBXMQMZPPMOA-OAHLLOKOSA-N 355.442 2.382 0 40 FEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 257290520 QDHBPIDDUABVBI-HNNXBMFYSA-N 350.426 2.394 0 40 FEAB Cc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 257322534 WGJKBTNNXSWDCG-HXUWFJFHSA-N 374.460 2.207 0 40 FEAB Cc1ccccc1S(=O)(=O)N1C[C@@H]2OC[C@H](CCOCC3CC3)[C@@H]2C1 306124481 BQUYOAVFAMBXNT-BZSNNMDCSA-N 365.495 2.447 0 40 FEAB O=C(Cc1cccc(F)c1)N1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 306142219 WTPMXYUYKMZXHY-KBAYOESNSA-N 355.413 2.349 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1cccc(Br)c1 409381980 JLJKMQJHDLTDLE-FJJYHAOUSA-N 352.184 2.432 0 40 FEAB CC(C)Cn1c([C@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 524735526 HWBSNNKWHGNGCQ-QGZVFWFLSA-N 367.457 2.433 0 40 FEAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2n[nH]cc2C(=O)O)cc1 554529117 SGLVSKNJWYACGV-AWEZNQCLSA-N 365.411 2.032 0 40 FEAB Cn1ccnc1N1CCC(NS(=O)(=O)c2sccc2Cl)CC1 569545424 NOHQATOCDKRYGX-UHFFFAOYSA-N 360.892 2.082 0 40 FEAB Cc1cc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)ncc1I 584277897 ZMZVFHJRMFWWNY-GGZOMVNGSA-N 358.179 2.358 0 40 FEAB Cc1ccc(OCc2nnc3n2CCN(CC2CCOCC2)[C@H]3C)cn1 585097598 NHVTWPFKJNXYTE-HNNXBMFYSA-N 357.458 2.364 0 40 FEAB O=C(Cc1ccccc1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585103030 OEGAZEPIDSEBFX-WIYYLYMNSA-N 356.466 2.107 0 40 FEAB Cc1cc(C)cc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)c1 585111914 IZHJNRKBXJFKML-SFHVURJKSA-N 374.510 2.139 0 40 FEAB CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1C 643551262 UBXVYWPSGYLGFW-WRWLIDTKSA-N 355.438 2.040 0 40 FEAB O=C(O)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 656241486 CVFCKPXHHRMNRY-JKSUJKDBSA-N 361.419 2.049 0 40 FEAB COC[C@H]1CNCCN1S(=O)(=O)c1cc2cc(Cl)ccc2s1 1124056127 FWUMBFJSJPPEQP-GFCCVEGCSA-N 360.888 2.164 0 40 FEAB Brc1cnc(NC[C@@H](c2ccco2)N2CCOCC2)nc1 1775970015 XFVSQRWQTNPMMF-LBPRGKRZSA-N 353.220 2.318 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4n[nH]cc24)C3)n1 1888906730 BYCCELUVFUDSDD-FZKQIMNGSA-N 351.414 2.137 0 40 FEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 2037908946 IBZIINIUVALJLY-FQEVSTJZSA-N 357.454 2.439 0 40 FEAB CN([C@@H]1CCCN(c2ccc(Br)cn2)C1)S(=O)(=O)C1CC1 2086865099 JYLAOCSLMSGSBN-GFCCVEGCSA-N 374.304 2.237 0 40 FEAB CN=c1c(NC(=O)c2cccc(/C=C/C(=O)NC)c2)c[nH]c2ccoc12 2362804732 JYECLFHSEOZMLV-VOTSOKGWSA-N 350.378 2.303 0 40 FEAB CN(C)Cc1nnc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1C 77319064 FGIIBBHIJRIUOQ-CQSZACIVSA-N 351.458 2.204 0 40 FEAB Cc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)no1 23657644 PKJVMZWPJZMDEH-UHFFFAOYSA-N 352.188 2.422 0 40 FEAB Cc1ccc2nc(N3CCN(CC(=O)NC(C)C)CC3)c(C=O)cc2c1 24631235 LWECYYMAZKNGJV-UHFFFAOYSA-N 354.454 2.002 0 40 FEAB O=S(=O)(NCCCN1CCc2ccccc21)c1ccc2c(c1)OCCO2 10113781 FUKVGZGSYYYZSO-UHFFFAOYSA-N 374.462 2.189 0 40 FEAB COc1ccccc1C[C@H]1CCCN1C(=O)N[C@H](C)CN1CCN(C)CC1 106582338 QOINUUCYWHBQCH-IEBWSBKVSA-N 374.529 2.048 0 40 FEAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2nccs2)CC1 10672834 STQDQHKATVWDRL-AWEZNQCLSA-N 374.491 2.295 0 40 FEAB CCCc1cc(=O)oc2c3c(ccc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 57135554 YRTQNLPWJNVCGP-CYBMUJFWSA-N 363.435 2.085 0 40 FEAB Cc1cc(NC(=O)C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)no1 57259265 ITSFZFDWZJUTGW-KRWDZBQOSA-N 350.378 2.355 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(O)cc2)CC1 57406113 HBOYFHCPZRIQRR-AWEZNQCLSA-N 369.421 2.270 0 40 FEAB CCOc1ccc(OCCNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 27381796 YQHCBURAFXTIAA-UHFFFAOYSA-N 357.366 2.032 0 40 FEAB Cc1ccnc2nc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)nn12 58172664 RVVNSDHRSRINHU-CYBMUJFWSA-N 357.439 2.316 0 40 FEAB COc1cccc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)c1OC 44841282 HBXAVISUFWDJFO-UHFFFAOYSA-N 367.405 2.039 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)c3cccc(O)c3)c(C)c12 58225480 ZIROLJDJGGPKAY-LBPRGKRZSA-N 368.437 2.394 0 40 FEAB COc1cc([C@@H]2NCCc3c2[nH]c2ccccc32)ccc1OCC(N)=O 2151348 IHIBEVCEOJFSGU-IBGZPJMESA-N 351.406 2.276 0 40 FEAB biogenic O=C(O)CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 2107000 FSVZIQVNCHFFSF-UHFFFAOYSA-N 359.378 2.032 0 40 FEAB biogenic Cn1cc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1C(N)=O 58357598 QLJQVUOMKDYBLB-UHFFFAOYSA-N 367.858 2.135 0 40 FEAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1 48355707 GADZMBSUMCQERR-LBPRGKRZSA-N 350.415 2.283 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccco2)n(C)c1 12848364 IUXZSZQHYZYQBI-GFCCVEGCSA-N 353.444 2.140 0 40 FEAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12892560 KHLUZDWZFOYFIY-UHFFFAOYSA-N 367.467 2.313 0 40 FEAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 177562006 CDVPAYVMSLAGLO-UHFFFAOYSA-N 364.442 2.246 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@H](N(C)Cc3cn(C)nc3C)C2=O)cc1 20477433 HYTAMUXYFIWXJB-SFHVURJKSA-N 370.453 2.281 0 40 FEAB CC(C)C[C@@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 20140383 HFRJCHREFRERKH-HNNXBMFYSA-N 360.462 2.392 0 40 FEAB CC(C)c1noc(CCCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n1 46744969 TZRKUGDWLNAYRM-INIZCTEOSA-N 364.490 2.229 0 40 FEAB COCc1cc(N[C@@H](Cc2ccccc2)Cc2c[nH]cn2)n2ncnc2n1 95443216 NZXBHBFGDRQFCI-HNNXBMFYSA-N 363.425 2.260 0 40 FEAB CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 13079218 AFOLZGYYQVMTHY-UHFFFAOYSA-N 362.407 2.162 0 40 FEAB O=C(COC(=O)c1ccccc1NCCO)N[C@H]1CCCc2ccccc21 9162538 ISEORWQMNQLUBY-IBGZPJMESA-N 368.433 2.441 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 13126445 FYZWAGMEDSCFNS-ZIAGYGMSSA-N 370.405 2.143 0 40 FEAB CNC(=O)c1cccc(CCNC(=O)c2cn(C)nc2-c2ccccc2)c1 93238801 ILXXNODELQQCCD-UHFFFAOYSA-N 362.433 2.419 0 40 FEAB COCc1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)o1 97261200 PNXPSMUVZJEMKL-UHFFFAOYSA-N 361.417 2.117 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NCCO)c1C 5278013 PXYXMCLBNFFLAM-UHFFFAOYSA-N 358.394 2.278 0 40 FEAB COc1cc(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1C 14255129 STAGZFJIBBPLFI-ZDUSSCGKSA-N 362.451 2.071 0 40 FEAB COc1cc2oc(=O)c(CC(=O)N3CCC(O)CC3)c(C)c2cc1Cl 6760589 YLKSSNAYLVKGHW-UHFFFAOYSA-N 365.813 2.289 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(-n2cccc2)cc1 9313897 HJSYPBMPLUEHKJ-UHFFFAOYSA-N 369.402 2.433 0 40 FEAB CCOC(=O)c1sc2ncn(CC(=O)NC(C)(C)CC)c(=O)c2c1C 7695868 AYTJIMVCODBEPM-UHFFFAOYSA-N 365.455 2.248 0 40 FEAB O=c1cc(Cn2nnn(-c3ccccc3)c2=O)c2cc3c(cc2o1)CCC3 16362286 QPERHTNXXDAGAH-UHFFFAOYSA-N 360.373 2.072 0 40 FEAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 8667872 IXJGBRUJIREABI-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(Cl)cc1 8767896 DQISFNWQVYGZNF-UHFFFAOYSA-N 358.785 2.447 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCC1 8938425 PPFNNJVMSKBTKD-UHFFFAOYSA-N 350.484 2.463 0 40 FEAB Cc1ccc(OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc1 75077171 WJCBIAATDMNGQS-MRXNPFEDSA-N 366.483 2.117 0 40 FEAB COC[C@H](O)CN1CCC(NCc2cccc(-c3ccccn3)c2)CC1 89801012 UOGPGRSCRIJQIX-HXUWFJFHSA-N 355.482 2.310 0 40 FEAB CCC[C@]1(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CCOC1 557615110 LVGWMLUJMMNQCK-HNNXBMFYSA-N 369.347 2.370 0 40 FEAB COc1ccc(NC(=O)c2cc(=O)c(OC)c[nH]2)cc1-c1nnc(C)o1 524732685 INIGVDDZEHUQLT-UHFFFAOYSA-N 356.338 2.003 0 40 FEAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408606457 MBUZNSVAOQCFHW-QWRGUYRKSA-N 362.879 2.320 0 40 FEAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1 408989439 KSQMLQMOUXIDJJ-WMLDXEAASA-N 359.426 2.120 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]1CO 39160150 WPPIPCNSRTXZPI-LSDHHAIUSA-N 350.415 2.283 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1C(=O)N1CCCC1 30873556 CTLIPEZAIDJPLH-UHFFFAOYSA-N 366.483 2.494 0 40 FEAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NC1CCCCC1 35315632 ODERUYIRAQOYGO-UHFFFAOYSA-N 369.421 2.130 0 40 FEAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cscn1 72324276 NGCYYSCLKRGTKX-VIFPVBQESA-N 350.425 2.230 0 40 FEAB NCC1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218549491 RSMHNGGAKPYTCE-HZPDHXFCSA-N 368.861 2.323 0 40 FEAB CCN(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1 226056189 CUKONZTZQCVWKQ-UHFFFAOYSA-N 364.442 2.461 0 40 FEAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223299341 SOKQXOLVXJSDJT-UHFFFAOYSA-N 362.451 2.476 0 40 FEAB CCN(CC)C(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225100619 NRKXWFLOQSXSLQ-UHFFFAOYSA-N 368.499 2.281 0 40 FEAB CCN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1cnn(C)c1)CC2 96199993 UCGZUGHCSCTBTG-GOSISDBHSA-N 353.470 2.186 0 40 FEAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCc2ccccc2C1 96222288 VMKUBIJQUBYXNS-SFHVURJKSA-N 363.417 2.082 0 40 FEAB biogenic Cc1cccc(CN2CC[C@]3(CCN(C(=O)c4cnccn4)C3)C2=O)c1 96159604 VMDLUPKJMYTHNL-HXUWFJFHSA-N 350.422 2.050 0 40 FEAB O=C(COc1ccccc1)N1C[C@H](OCc2nc3ncccc3[nH]2)[C@H](F)C1 96112018 QYFQIVGGJUDPPF-ZBFHGGJFSA-N 370.384 2.102 0 40 FEAB biogenic,in-vitro Cc1ccc(C(=O)N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)cn1 248126751 MAHLNAYXFKDRTP-KRWDZBQOSA-N 366.465 2.400 0 40 FEAB Cc1cc(Nc2nc(C(C)C)nc(N(C)C)n2)ccc1N1CCOCC1=O 1651473549 GBARIBCULGEDLW-UHFFFAOYSA-N 370.457 2.476 0 40 FEAB C[C@H]1CN([C@H](C)C(=O)c2c[nH]c3ncccc23)CCN1c1cnccn1 1655145524 YVOLBGCIKWCZOY-UONOGXRCSA-N 350.426 2.135 0 40 FEAB CO[C@@](C)(C(=O)O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 663045473 IDBVGEMBYDKLIL-ZUZCIYMTSA-N 361.225 2.178 0 40 FEAB CN(C)c1cc(C(F)(F)F)nc(N2CCOC3(CCOCC3)CC2)n1 681094337 MEWKNCANUPSKFJ-UHFFFAOYSA-N 360.380 2.337 0 40 FEAB Cc1nccnc1N1CCN(C(=O)[C@H]2CCN(c3ccccc3F)C2)CC1 685796405 PPOMHSUBRVAWQL-INIZCTEOSA-N 369.444 2.099 0 40 FEAB CN([C@@H]1Cc2cccnc2C1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 1776005911 PUHAVJAKTNFSMM-OAHLLOKOSA-N 371.462 2.144 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCCO3)c2)cc1 390826534 AFIIDDJUQKITMV-MRXNPFEDSA-N 363.439 2.456 0 40 FEAB O=S1(=O)C[C@@H](N(Cc2ccccc2Cl)c2cccc(O)c2)[C@@H](O)C1 575420717 JJZOASRDNAJKDI-SJORKVTESA-N 367.854 2.210 0 40 FEAB Cc1cc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)ccc1F 585284244 WAFYVXYSYKEKNC-ICSRJNTNSA-N 367.461 2.006 0 40 FEAB CCc1cnc(OC2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 1776009114 IJYAGIRKCWEYIW-CQSZACIVSA-N 372.391 2.045 0 40 FEAB CCO[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 58305457 JAJUAXCZYHFIKY-CQSZACIVSA-N 374.890 2.036 0 40 FEAB O=C(NC1=NCCS1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 39976086 RSNUXZDJTJNNHL-UHFFFAOYSA-N 353.394 2.036 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1 5721933 BQBDQDNQNFHEFK-MRXNPFEDSA-N 358.419 2.427 0 40 FEAB CCS(=O)(=O)N1CCC(c2nc(C)c(C)c(N3CCCC3)n2)CC1 12276085 XBHDFTMYDUGQSY-UHFFFAOYSA-N 352.504 2.223 0 40 FEAB CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 15583719 YRMHVCIMAYZEHG-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2N2CCCN12 19169986 QXTBICUHPJMWFJ-QYZOEREBSA-N 363.417 2.231 0 40 FEAB COc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)ccc1O 19550077 WMKGVOXAEFZVEK-HNNXBMFYSA-N 366.425 2.114 0 40 FEAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1OCCc2ccccc21 19661076 KSJDKRJBTIPLIK-KRWDZBQOSA-N 363.410 2.030 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(C[C@H]4CC=CCC4)CC3)n2CC1 19709399 NFTMFDWJEPZSDH-KRWDZBQOSA-N 357.502 2.218 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc(O)c1F 1888908440 RLDNBLURKKJNIA-PHIMTYICSA-N 372.429 2.207 0 40 FEAB OC1(CN2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)CCOCC1 1889082728 KVIFMVQYUOBRIL-HIFRSBDPSA-N 371.403 2.152 0 40 FEAB Cn1nc(-c2cccnc2)cc1CNS(=O)(=O)c1c(F)cccc1F 240122660 WFNBZHNFQZANRC-UHFFFAOYSA-N 364.377 2.239 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(I)c1 640418 PUTXJFMTAVBBKI-UHFFFAOYSA-N 369.224 2.330 0 40 FEAB CC(C)N1CC[C@@]2(CN(C(=O)CCF)C[C@H]2c2ccnn2C(C)C)C1=O 1565556115 NCGDCLGFLGAZOZ-KXBFYZLASA-N 364.465 2.377 0 40 FEAB CCN(CC)CCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5187792 CQHLAIQITKHEBC-QGZVFWFLSA-N 360.502 2.440 0 40 FEAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 10063801 DNLONAHZSBMJGQ-UHFFFAOYSA-N 360.435 2.199 0 40 FEAB CCCNC(=O)Cn1nc(C)c2cnn(-c3cccc(Cl)c3)c2c1=O 13970698 ABCNRSORAUDTMM-UHFFFAOYSA-N 359.817 2.070 0 40 FEAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1 17179146 CPLYFJUADGQLOO-UHFFFAOYSA-N 351.450 2.262 0 40 FEAB CCN(CC)C(=O)CN1CCN(Cc2cc(Cl)ccc2OC)CC1 40013693 QBCUJGXZBORJJR-UHFFFAOYSA-N 353.894 2.335 0 40 FEAB Cc1cc(C)n(CC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)n1 31529938 VZIWZJJGQFPJBL-UHFFFAOYSA-N 354.454 2.442 0 40 FEAB CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 102094831 NVALCGNAJQNXPI-OGNFBWPZSA-N 357.406 2.325 0 40 FEAB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)N4CCNC4=O)cc3c2C1 22042487 VLEVTJXTLISRAY-NWDGAFQWSA-N 369.421 2.390 0 40 FEAB CCc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C 806623 FNUHPSWAQKJWBO-GOSISDBHSA-N 374.466 2.159 0 40 FEAB CC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccnc3)C2)cc1 23190971 DFXVJZVSTHDLMF-KRWDZBQOSA-N 358.423 2.151 0 40 FEAB O=C(NCCCn1nc2ccccn2c1=O)c1cc2c(s1)CCCC2 54323096 VFZNUTWGQNUPHJ-UHFFFAOYSA-N 356.451 2.256 0 40 FEAB Cc1ccn(CCCNC(=O)[C@@H](C)n2cc(Br)c(C)n2)n1 2786409 GHHCKGYJIAJJDP-GFCCVEGCSA-N 354.252 2.226 0 40 FEAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849308 KNLVRMWYBGUFFX-UHFFFAOYSA-N 370.434 2.213 0 40 FEAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1csnn1)C1CC1 4858815 BJTOHTFXXCZTFT-INIZCTEOSA-N 371.466 2.338 0 40 FEAB COc1ccc(NC(=O)[C@H]2CCCN(c3cc(C)nc4ncnn34)C2)cc1 4898129 CJNVUCPBAUWJME-AWEZNQCLSA-N 366.425 2.296 0 40 FEAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccc(F)cc1 8732503 YDOUBEHFROFBHU-LBPRGKRZSA-N 372.352 2.281 0 40 FEAB C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCc2ccccc2C1 25410529 DGNQPKUSTXOUAX-KRWDZBQOSA-N 365.477 2.488 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(OC)c1 56026877 NWALHCYSYFNYLJ-HNNXBMFYSA-N 358.438 2.345 0 40 FEAB Cc1ccsc1CN(C)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 35286999 HKRXAXRNUOISMS-UHFFFAOYSA-N 371.506 2.473 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccco2)cc1 57577983 MRGMLRYJIFZOTI-CQSZACIVSA-N 364.467 2.258 0 40 FEAB COC(=O)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 102015446 HKGFAMQWXBOYHV-TXFQPVFDSA-N 361.419 2.080 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 12766863 IHXBOHSDWJRVOG-LLVKDONJSA-N 372.468 2.077 0 40 FEAB CC(=O)Nc1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 12765580 FXUYZISLFNDONL-UHFFFAOYSA-N 350.371 2.440 0 40 FEAB COc1ccccc1-c1cc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)[nH]n1 58218217 HXYFXKVSGAICTF-LLVKDONJSA-N 354.366 2.435 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)c(C)c2)CCO1 58208531 WFAIRTCPDFRSLW-OAHLLOKOSA-N 361.471 2.009 0 40 FEAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCCc2ccccc2)CC1 58296258 GCZLMIPKXSPBQF-UHFFFAOYSA-N 374.481 2.269 0 40 FEAB O=C(COC(c1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 58263408 DFTMYAKKEZKFBO-KRWDZBQOSA-N 359.447 2.096 0 40 FEAB COc1ccc(N(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cn1 58270906 NJGYFOAGHLOCLX-UHFFFAOYSA-N 354.815 2.424 0 40 FEAB O=C(CNc1ccc(F)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11116111 MNMAPNCSYGGZGN-QGZVFWFLSA-N 362.426 2.458 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)c(OC)c1 12865934 KDIPHNGPBFDCAV-UJAVWCLSSA-N 367.405 2.273 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)c2ccccc2O1 12913201 PQPPOIFBDDNABE-KBXCAEBGSA-N 354.406 2.303 0 40 FEAB O=C1C[C@@H](c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1 13127779 DXJSVHBWMQCQDD-AWEZNQCLSA-N 369.406 2.011 0 40 FEAB CCOC(=O)C1CCN(Cc2cc(=O)oc3cc4c(cc23)OCO4)CC1 4082291 FIPOCCMKBUCHFA-UHFFFAOYSA-N 359.378 2.297 0 40 FEAB biogenic COc1ccc(OC)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 6112653 SVTZGILOAYUWMD-UHFFFAOYSA-N 372.406 2.360 0 40 FEAB CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1 4458520 IOYPGEIIGHZKHO-UHFFFAOYSA-N 369.446 2.172 0 40 FEAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)c2ccco2)CC1 14139877 AZBWXGJCBIJGLJ-GFCCVEGCSA-N 363.364 2.343 0 40 FEAB Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCc2ccccc21 4727384 CFECRYBCIATKNZ-UHFFFAOYSA-N 355.423 2.031 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)cc1 4815422 DOWXMQNALDMPSO-LBPRGKRZSA-N 366.414 2.448 0 40 FEAB CSc1cccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 7127961 QEQUORUPQQAHSA-UHFFFAOYSA-N 355.419 2.441 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3)nc2n1 7654471 XEAYLSCEAJDMJJ-UHFFFAOYSA-N 359.773 2.190 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)O)c2)cc1 7779351 PEPLNXXIYPNBKI-UHFFFAOYSA-N 350.348 2.329 0 40 FEAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2ccccc2CC1 7987082 GHQANFNXUSBNRW-INIZCTEOSA-N 369.508 2.203 0 40 FEAB COc1ccccc1N1CCN(C(=O)COC(=O)c2cccs2)CC1 8066540 YAAXRVRXNOMDMY-UHFFFAOYSA-N 360.435 2.262 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 16639743 IIFKPBZDFNKVQZ-UHFFFAOYSA-N 350.484 2.102 0 40 FEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1CCO 8574858 MLPARDZBUQTNIU-SFHVURJKSA-N 353.353 2.459 0 40 FEAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2Cl)nc1CO 20869303 BTQVJISEQAGDDA-UHFFFAOYSA-N 360.776 2.482 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)CCn3cccn3)CC2)Nc2ccccc21 72327191 INJWQRDPTBKOER-UHFFFAOYSA-N 367.453 2.113 0 40 FEAB O=C(Cc1ccc(Cl)cc1)NCCNc1cc(-n2cccn2)ncn1 35597291 CNNQHFASWJHFSZ-UHFFFAOYSA-N 356.817 2.087 0 40 FEAB Cc1cccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)c1C 70898260 YASOQOQIUCADLK-UHFFFAOYSA-N 367.453 2.065 0 40 FEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCSCC2)c2ccc(F)cc21 36353613 BIFFTAREHYIFSF-HNNXBMFYSA-N 352.387 2.040 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1F 223368934 QNQOPSTWBCTSOK-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB COCCn1ccc2nc3nc(C)nn3c(-c3ccc(F)cc3)c2c1=O 40398540 ITNCIUWATKODDW-UHFFFAOYSA-N 353.357 2.200 0 40 FEAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 40309361 ZUAUDZMGJCSQEF-QGZVFWFLSA-N 356.407 2.081 0 40 FEAB biogenic Cc1nc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 332162652 TZGXSPZTASXXML-HZMBPMFUSA-N 365.480 2.232 0 40 FEAB COCCN1CC2(CCN(Cc3cccs3)CC2)[C@H](COC)C1=O 96209082 DTQOTOODVWICLG-MRXNPFEDSA-N 352.500 2.082 0 40 FEAB CCOc1ccc(-c2noc(CNC(=O)c3n[nH]c4c3CCCC4)n2)cn1 253395136 ZVIUVAMAHSBTRP-UHFFFAOYSA-N 368.397 2.062 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cncnc3)C2)n1 257320757 VYMDTEWDQINGNA-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)n(C2CCOCC2)n1 638157446 XSTDSDRVLFRJIP-AWEZNQCLSA-N 355.442 2.006 0 40 FEAB O=C(O)CC1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CCCCC1 663118987 BFVGEAHOHOMWGL-INIZCTEOSA-N 373.453 2.228 0 40 FEAB Cc1cc(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(N(C)C)nn1 667477127 URPAIABWBRNUBF-JQWIXIFHSA-N 361.368 2.473 0 40 FEAB O=C(NC1CC2(CCN(C(=O)Cc3ccccc3)CC2)C1)c1ccnnc1 585104970 WTHWAHSSCUFKMF-UHFFFAOYSA-N 364.449 2.220 0 40 FEAB C[C@@H]1CC[C@H](C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)O1 585112180 MNNSYKIHVCYBLW-OLMNPRSZSA-N 355.438 2.229 0 40 FEAB O=S(=O)(N1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 36741438 MBOAAEAOTDXYST-FHWLQOOXSA-N 364.511 2.479 0 40 FEAB COCCn1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cn1 47003772 OAXHBGXYTMXXGS-OAHLLOKOSA-N 357.458 2.098 0 40 FEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2c(F)cccc2F)CC1 85468221 NXFFABQXAAICDN-CQSZACIVSA-N 351.441 2.453 0 40 FEAB COc1ccc2nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2c1 193755397 JGFDHMNVCFZRIG-MRXNPFEDSA-N 355.438 2.319 0 40 FEAB C[C@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)O 2076529 GCNMWPSHBPUACZ-YAFRSCOQSA-N 366.398 2.309 0 40 FEAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2cccs2)c(=O)[nH]c1=O 3334473 CBAJUNXGCLDKMV-CMDGGOBGSA-N 362.455 2.047 0 40 FEAB Cc1cc(=O)[nH]c(NC2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 12113710 TWXGAIGCNSASSP-UHFFFAOYSA-N 369.469 2.210 0 40 FEAB Cc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2cc3ccsc3n12 12114232 BQPJDWWNONMNTO-UHFFFAOYSA-N 370.409 2.475 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 12145146 WHTWHAARRPNJRW-LSDHHAIUSA-N 354.454 2.113 0 40 FEAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CCCCO1)C2 19017311 MDRGVBQKAGQHMV-QZTJIDSGSA-N 372.469 2.004 0 40 FEAB CCc1nn2c(nnc3c(=O)n(-c4nnc(C)[nH]4)ccc32)c1-c1ccccc1 19821510 RPMMJEIBOAKZAH-UHFFFAOYSA-N 372.392 2.084 0 40 FEAB Cc1noc([C@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sccc23)n1 590671677 REMIRQBOYLHHFO-JOYOIKCWSA-N 358.427 2.229 0 40 FEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3ccncc3)C2)n1 1888897066 HXFREGAZICWSMI-UHFFFAOYSA-N 362.389 2.011 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCCC1 1889136093 DMYVJMLHRLCCQU-HNNXBMFYSA-N 358.360 2.408 0 40 FEAB COCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C 4341784 GSOJWJBYUDFCJY-UHFFFAOYSA-N 371.466 2.287 0 40 FEAB CCOC(=O)[C@@](NC(=O)NC(C)=O)(Nc1ccccc1C)C(F)(F)F 5736926 VTOJSCXOEWKIKU-AWEZNQCLSA-N 361.320 2.074 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2OC)cc1 9571407 BRZTVMLHLSRVAO-UHFFFAOYSA-N 368.397 2.391 0 40 FEAB O=C(Cc1cccnc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414946 SYWXZZOZHLHXFN-KRWDZBQOSA-N 362.426 2.152 0 40 FEAB COCCc1nsc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298196408 HVWPAKILBKNSEA-LBPRGKRZSA-N 374.457 2.201 0 40 FEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(c2ccc(F)cc2)CC1 40043281 RRTMSXIKBPJYDP-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB O=C(CCNC(=O)c1ccco1)NCc1cccnc1OC1CCCC1 40089468 XVJPDTJPIBTKKA-UHFFFAOYSA-N 357.410 2.432 0 40 FEAB O=C(CCn1ncc(=O)c2ccccc21)NCc1cnn(-c2ccccc2)c1 40037604 PHWMQDAWQDRTOX-UHFFFAOYSA-N 373.416 2.289 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2nnc(-c3ccccn3)s2)cc1 50004835 OLXFRMDEGBVLJT-UHFFFAOYSA-N 353.407 2.277 0 40 FEAB C=CCn1nnnc1SCC(=O)NC[C@H](C)c1nc2ccccc2s1 50248368 KSZIFSUVGAPTQA-NSHDSACASA-N 374.495 2.481 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1ccc(-n2cccn2)cc1 32173459 SITWVFMTLTWBOV-IRXDYDNUSA-N 367.405 2.091 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 32818253 GHPUWACBFQNHLK-CYBMUJFWSA-N 353.378 2.144 0 40 FEAB COc1ccc(CN2CCN(C(=O)NCc3cccnc3OC)CC2)cc1 32803356 OUHWGJNERPUOGU-UHFFFAOYSA-N 370.453 2.126 0 40 FEAB O=C1C[C@@H](Nc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1F 103627378 ALHCFEAMPVCRKX-OAHLLOKOSA-N 356.353 2.337 0 40 FEAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)C(=O)NCc3ccco3)cnc21 22887170 MMHGDEOHJWWMBR-LBPRGKRZSA-N 356.382 2.467 0 40 FEAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 1325807 VCDFDGZAWRNQRA-UHFFFAOYSA-N 372.512 2.128 0 40 FEAB C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc(Cl)c2O1 95960473 DELZYRYZBZBGPP-UWVGGRQHSA-N 374.890 2.245 0 40 FEAB CCCN1CC[C@@H](CNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 54509863 LYRILWHIAXXQEA-KRWDZBQOSA-N 372.513 2.322 0 40 FEAB COc1ccccc1[C@H]1C(C(=O)O)=C(CO)Oc2cc3c(cc21)OCO3 6424887 ITSICKZMPBTGLW-QGZVFWFLSA-N 356.330 2.279 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680305 CXQBMQGFTDJSMO-UHFFFAOYSA-N 368.436 2.037 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3nncs3)c2)C1 6680871 TVSGTILKAMBYKU-VIFPVBQESA-N 372.497 2.273 0 40 FEAB CCCN1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 55171364 CTVPYMKXVLPXAS-UHFFFAOYSA-N 353.413 2.029 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 10112706 MJWBGLCQVZFGIY-UHFFFAOYSA-N 373.478 2.016 0 40 FEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(CNC(N)=O)cc1 12599265 JGYQCPZRRDEEIM-GFCCVEGCSA-N 371.393 2.048 0 40 FEAB O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1400006 WQFLYULBZVRJPV-UHFFFAOYSA-N 356.265 2.371 0 40 FEAB CCOc1ccc(NC(=O)C[C@@H](C)OC)cc1S(=O)(=O)N(CC)CC 58163442 CZAXWCWLFYYGFN-CYBMUJFWSA-N 372.487 2.479 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Cl)cc1Cl 12790477 QRPQUJRZRFYYEA-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB O=C(NCc1nccs1)c1ccc(C(=O)NCc2nccs2)cc1 58358272 XCAXQPLFRNOTTF-UHFFFAOYSA-N 358.448 2.460 0 40 FEAB COC(=O)c1cc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)oc1C 3362293 DNDGAXGOXDBESL-UHFFFAOYSA-N 370.361 2.287 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 22235395 SMQTYSHMTOETLI-UHFFFAOYSA-N 368.433 2.363 0 40 FEAB Cc1cc(NC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)no1 48356286 YENJPVYBAFZACC-UHFFFAOYSA-N 367.409 2.383 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCC2 53389806 ARYMQVOOXVKYFB-GUYCJALGSA-N 350.484 2.024 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12856222 SKLQRAMXEIWAPG-OAHLLOKOSA-N 370.405 2.118 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 107621661 OABLEZZAULYUKW-LLVKDONJSA-N 352.387 2.140 0 40 FEAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(C(F)(F)F)cc1 13041021 KYYAZGWBONOXPP-UHFFFAOYSA-N 365.359 2.256 0 40 FEAB COc1ccc([C@@H](CC(=O)O)NC(=O)Cc2csc(C)n2)cc1OC 49547260 VPBNFGCUQDTGGA-CYBMUJFWSA-N 364.423 2.343 0 40 FEAB COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1 5094471 DLURFWIIGNLAAB-UHFFFAOYSA-N 363.417 2.499 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1F 23878307 YDYGNDKJNOSRGZ-SWHYSGLUSA-N 350.365 2.317 0 40 FEAB C[C@H]1C(=O)N(CC(=O)NCCc2ccccc2)C(=O)N1c1ccccc1 14160502 JVFIFWSITTZYDZ-HNNXBMFYSA-N 351.406 2.203 0 40 FEAB CCNC(=O)c1cccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)c1 14241145 GDFRUFJNVTYROZ-UHFFFAOYSA-N 356.378 2.468 0 40 FEAB CCOc1ncccc1C(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 14251492 QSHKZOHKNMCBBW-CQSZACIVSA-N 352.456 2.052 0 40 FEAB COCCCn1c(SCC(=O)Nc2ccc3ccccc3c2)n[nH]c1=O 7348487 IRIFRTPLSIDGSY-UHFFFAOYSA-N 372.450 2.492 0 40 FEAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 7307194 DTIXRQDURBNSOH-GOSISDBHSA-N 368.414 2.281 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)/C=C/c1ccccc1 8135497 IOOQHULYRVHERU-VAWYXSNFSA-N 362.433 2.291 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)nnn3C)C1 409140460 DUNWGRVVYOZQEG-CYBMUJFWSA-N 358.446 2.081 0 40 FEAB COc1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)cc(OC)c1OC 18235121 DGHXIEZROGAVBT-UHFFFAOYSA-N 372.421 2.230 0 40 FEAB O=C(c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1)N1CCCC1 72328368 CLSLRKNZHNGUOC-UHFFFAOYSA-N 355.419 2.036 0 40 FEAB CCOc1c(Br)cc(CNCCN2CCOCC2)cc1OC 22076009 DHOCNYVPPZZWFD-UHFFFAOYSA-N 373.291 2.278 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@@H]4CCCO4)c3)C(=O)[C@H]21 408673217 QICFCSVZIFAVFZ-QCSYZSNVSA-N 368.433 2.297 0 40 FEAB CCN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 36633919 XASQARINWRETJM-CYBMUJFWSA-N 356.253 2.263 0 40 FEAB CCc1ccc(-n2c(O)nc3nc(NCc4cccnc4)ncc3c2=O)cc1 67263598 VWTUFSLDKLIVLE-UHFFFAOYSA-N 374.404 2.451 0 40 FEAB O[C@H](COCc1ccc2c(c1)OCO2)Cn1nccc1-c1ccncc1 152347911 CCANRXPDYYFPRU-INIZCTEOSA-N 353.378 2.252 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 30755891 CUEYYQXAGISLCO-UHFFFAOYSA-N 363.391 2.186 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(C)cc2)C1 72362733 XMHUSBDWGGVHHV-MRXNPFEDSA-N 368.437 2.419 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)n2ncnc2n1 35311000 HYSQKKMJPVONJO-OAHLLOKOSA-N 368.416 2.105 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217658272 SWIUNTYYMDZEKN-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCCC2)Oc2ccccc21 38852369 LULANHFRBMTDOP-KRWDZBQOSA-N 366.483 2.443 0 40 FEAB COc1ccc(N2Cc3nc(=O)n(Cc4ccccc4F)n3C2=O)cc1 32095693 MRXVDMKYLGZLDG-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)N3CCCC3)c1)CS2 30479287 YGXIIAOZMIJZCH-HNAYVOBHSA-N 373.478 2.315 0 40 FEAB C[C@H](N[C@H](C)c1nnnn1C)c1cc2c(cc1Br)OCCO2 189833785 YAIJQJXHGSLTPF-DTWKUNHWSA-N 368.235 2.156 0 40 FEAB COc1ccc(C[C@]2(c3ccc(Br)cc3)NC(N)=NC2=O)cc1 71974991 ONHSLAWXZDCERC-QGZVFWFLSA-N 374.238 2.340 0 40 FEAB O=C(c1ccco1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544004 NEXJYXJNPUVIAN-UHFFFAOYSA-N 370.384 2.388 0 40 FEAB Cc1ccc(-c2ccsc2C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 531382828 HGPQJSIALUOWRP-CQSZACIVSA-N 355.419 2.100 0 40 FEAB CC1CCC(N(C(=O)CN2CCC[C@@H](S(C)(=O)=O)CC2)C2CC2)CC1 328655860 NESHQNZZQXSFMY-LEOMRAHMSA-N 370.559 2.455 0 40 FEAB CCc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 223928448 WTRUOXQUKFTVNB-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB Cn1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c1=O 77100077 DWHLNVBSBBYETD-UHFFFAOYSA-N 363.299 2.237 0 40 FEAB CC(C)(C)n1ncc2c(O)nc(NC[C@@H](CO)c3ccc(F)cc3)nc21 576089201 OECCAXQMLFLYMT-LBPRGKRZSA-N 359.405 2.614 0 40 FEAB COCCOc1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 46820927 XUJNIXFJKBVCTO-UHFFFAOYSA-N 373.409 2.177 0 40 FEAB Cc1cc(C)cc(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 224973316 FCALCQSAHCPJAX-KRWDZBQOSA-N 368.499 2.145 0 40 FEAB O=C(N[C@H]1COC2(CCN(C3CCOCC3)CC2)C1)c1cccs1 96221268 XPFQFSVMUBSLPT-CQSZACIVSA-N 350.484 2.280 0 40 FEAB CC(C)C(=O)N1CCC(NC(=O)c2ccc3oc(N(C)C)nc3c2)CC1 585084976 RWILRVRIHRIJAU-UHFFFAOYSA-N 358.442 2.271 0 40 FEAB CS(=O)(=O)CC1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 333291680 AXTTZWCNAKMIPA-UHFFFAOYSA-N 351.472 2.249 0 40 FEAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)COC1CCCC1)C2 96209873 MAAIUAHOIMTURM-YLJYHZDGSA-N 350.503 2.153 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)no1 96106900 BJYVIARBPKNBDH-INIZCTEOSA-N 357.410 2.359 0 40 FEAB CN(C)C(=O)N1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96078858 HYHWRVKZZKAFOS-UHFFFAOYSA-N 363.483 2.014 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2 96159133 HUHWKGMJADSUSY-UHFFFAOYSA-N 355.394 2.021 0 40 FEAB COCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596856 WNGAUFNQWOMJDC-NIJZUDBWSA-N 358.438 2.094 0 40 FEAB Cc1ccsc1C(=O)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 253598903 VZYNGXHVLYNYOR-OAHLLOKOSA-N 350.484 2.010 0 40 FEAB O=C(O)c1cccc(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)n1 263404991 KGXJVWMVINLMGZ-GFCCVEGCSA-N 350.758 2.350 0 40 FEAB CN(C)Cc1cc(O[C@@H]2CCN(Cc3nnsc3Cl)C2)ccn1 1775959351 XGSYKABIXCPUPN-CYBMUJFWSA-N 353.879 2.301 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1ccccc1C(F)(F)F 643950761 OXLXCFVYMFVPGQ-INIZCTEOSA-N 358.360 2.002 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2 585102805 IGWPSYCQZJXARN-AWEZNQCLSA-N 372.918 2.461 0 40 FEAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NCc3ccco3)C2)c1 585096102 RJOBJCWBZVAJEU-GOSISDBHSA-N 364.405 2.298 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2ccccc2)C1)NCc1ccccc1 585274563 WPMUCIGZMQWKFX-NRFANRHFSA-N 354.450 2.209 0 40 FEAB C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111476 BEVLEBHAUXDDBG-JCGIZDLHSA-N 355.438 2.086 0 40 FEAB COc1cccc(N2Cc3nn(Cc4ccc(F)cc4)c(=O)n3C2=O)c1 1547201135 LXQBXBIBKGACQZ-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB CCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC(=O)O)cc1 2296642 XNSUWBKFOMBADR-SFQUDFHCSA-N 368.389 2.057 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)N[C@@H](C)c4ccccn4)nc(C)n32)o1 12115508 YTIBRVRKKRVGAQ-LBPRGKRZSA-N 365.393 2.131 0 40 FEAB Cc1nccn1CC1(O)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 12221651 RQNFOWYQMJADDL-UHFFFAOYSA-N 352.438 2.269 0 40 FEAB CC(=O)N1C(=O)[C@]2(N=C(N)N=C3Sc4ccccc4N32)c2ccccc21 17074729 QOFXXCGSXHCQBY-SFHVURJKSA-N 363.402 2.029 0 40 FEAB C[C@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)N1CCOCC1 19078211 HMOWVXJCARTLMR-HZPDHXFCSA-N 350.434 2.164 0 40 FEAB c1ccc(OCCN2CCN(Cc3ccnc(N4CCCC4)n3)CC2)cc1 19373527 DEBYYQSHRTXPME-UHFFFAOYSA-N 367.497 2.273 0 40 FEAB Cc1ccc2oc(=O)n(CCC(=O)N3CCCC[C@@H]4[C@H]3CCN4C)c2c1 19712359 VNCADRRXPUIQIC-HZPDHXFCSA-N 357.454 2.378 0 40 FEAB Cn1cc(CNC(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)cn1 156534278 YGNYZLPSUJVXSZ-CABCVRRESA-N 368.359 2.456 0 40 FEAB O=C(NCCc1ccccc1)C(=O)NCC1CCN(C2CCCC2)CC1 23127399 VHVWAWULUVNSCL-UHFFFAOYSA-N 357.498 2.116 0 40 FEAB COc1ccc(CCN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)cc1 583615102 VPANNLZTFRUTHK-SJORKVTESA-N 353.426 2.137 0 40 FEAB Cn1ccc([C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 390830482 LIUQXZYCTPTNPW-KRWDZBQOSA-N 354.454 2.277 0 40 FEAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888897500 KRQGOYRTLKNTKV-UHFFFAOYSA-N 367.457 2.374 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 2037937571 BTHOPUHBTZONHX-NRFANRHFSA-N 371.481 2.320 0 40 FEAB Cc1cc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)ccn1 2037978357 RNLJVKBULYRODE-NRFANRHFSA-N 365.433 2.286 0 40 FEAB O=C(COc1ccc(Oc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1 4071047 BZRMVXHGCADQFR-CQSZACIVSA-N 361.419 2.161 0 40 FEAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)NC1CCCC1 12231104 UWSYYBZFBIUDOC-UHFFFAOYSA-N 374.412 2.118 0 40 FEAB Cn1ccc(=NC(=O)C2(Nc3ccccc3)CCN(CC3CC3)CC2)[nH]1 2055754635 LKAKFBQERXCDDN-UHFFFAOYSA-N 353.470 2.137 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713519 ZNWLADJWJPRYBK-CYBMUJFWSA-N 358.467 2.059 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2cc(C)on2)CC1 2055759331 MEUDKSBQPOQPTR-UHFFFAOYSA-N 372.469 2.192 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 2055839548 JGIKLCQPHDRGHN-QFBILLFUSA-N 354.410 2.023 0 40 FEAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(n2cc(C3CC3)nn2)C1 585149186 RPKQZVKDSVMSRW-UHFFFAOYSA-N 372.372 2.420 0 40 FEAB Oc1c([C@@H](c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12 22610070 JRAVLTMEUUWOEH-GFCCVEGCSA-N 362.411 2.018 0 40 FEAB Cn1cnc2c1c(=O)n(CCCSCCCc1ccccc1)c(=O)n2C 40067139 WTTPCLZOKYNNDK-UHFFFAOYSA-N 372.494 2.190 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NC[C@@H](C)Cn3nc(C)cc3C)ccc21 40121522 ZRMCOBCZYLHBRH-CYBMUJFWSA-N 354.454 2.475 0 40 FEAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCOCC1 32666176 NDIFDUGLYLGMFL-AWEZNQCLSA-N 356.378 2.278 0 40 FEAB NC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 32824909 OEMZLAAKGJQQQH-UHFFFAOYSA-N 352.354 2.194 0 40 FEAB O=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 41246636 TUTXPRVPLNYQLK-SFHVURJKSA-N 353.422 2.278 0 40 FEAB COCc1nc(N2CCN(c3ccccn3)CC2)[nH]c(=O)c1CCC(C)C 22448901 XISOPVNFDWTBJB-UHFFFAOYSA-N 371.485 2.227 0 40 FEAB CCCCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 53646294 XFIAPKUDIADIAP-UHFFFAOYSA-N 350.440 2.321 0 40 FEAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 47412792 KJBVLMIVQOIJPQ-HZPDHXFCSA-N 366.483 2.221 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O 814341 GIGBJGXMBLJKEO-OUCADQQQSA-N 351.834 2.076 0 40 FEAB COCCNC(=O)CSc1ccccc1C(=O)OCc1cc(C)on1 23326865 YOBAEZXIYPYHCG-UHFFFAOYSA-N 364.423 2.195 0 40 FEAB CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NC(=O)NC)nc21 12537582 XOPJSXNDVLFLLF-JTQLQIEISA-N 372.454 2.326 0 40 FEAB COc1cccc(-n2cnnc2SCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 6039920 UJEGLYWBIQOMBF-BETUJISGSA-N 362.455 2.004 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)cs1 6681657 GDCNGGHRSDDZJG-UHFFFAOYSA-N 368.436 2.085 0 40 FEAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Br)cc1F 12555323 URSHCIPTJHMGMB-UHFFFAOYSA-N 358.192 2.402 0 40 FEAB Cc1ccc2c(CC(=O)N3CCCN(S(C)(=O)=O)CC3)coc2c1C 25574879 XKGXTRJHRDGQBY-UHFFFAOYSA-N 364.467 2.086 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 75106143 OLSVYEFAKPDSGB-JKSUJKDBSA-N 361.486 2.126 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc(C)on1 58289515 BYPMOMIHPLRALI-ZDUSSCGKSA-N 360.414 2.279 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1 57551870 XNSQNNSIBAQRAN-DAYGRLMNSA-N 360.454 2.187 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2cnc3sccc3c2=O)cc1F 23297845 HTAHZZOAUHJCTO-UHFFFAOYSA-N 361.398 2.264 0 40 FEAB Cc1nc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cs1 9367335 BKTVEBNMSLWJIM-CQSZACIVSA-N 356.411 2.059 0 40 FEAB Cc1cccc(C)c1-n1nnnc1SC[C@H](O)CN1CCC(C)CC1 58421454 UBAOGQCJCCHDFG-MRXNPFEDSA-N 361.515 2.464 0 40 FEAB CCOc1ccc(NC(=O)CN2CCC3(CC2)SCC(=O)N3C)cc1 95469398 VWBOXIPHBHXNRA-UHFFFAOYSA-N 363.483 2.021 0 40 FEAB NC(=O)NCc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 45651924 RRTTUBTXITZEPT-IBGZPJMESA-N 367.449 2.441 0 40 FEAB COCCNC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1 11481170 WOGPFNLZZMMTJZ-UHFFFAOYSA-N 372.377 2.108 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 11566086 QVPCMKRERKSMRR-UHFFFAOYSA-N 371.673 2.500 0 40 FEAB CN(C)C1(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)CCCCCC1 29782823 MWLQNRRXOGGBQT-QGZVFWFLSA-N 359.518 2.464 0 40 FEAB CC(C)CNC(=O)NC(=O)COC(=O)C1(c2ccc(F)cc2)CCC1 12878555 BFVBUKGIURRGOR-UHFFFAOYSA-N 350.390 2.272 0 40 FEAB Cc1cccnc1CN1CCC2(CC1)CC(NC(=O)c1cnn(C)c1)C2 108533188 AVZILIWMLBFOTQ-UHFFFAOYSA-N 353.470 2.298 0 40 FEAB Cc1cccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 10447858 XDYNLYZNYUCZFS-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)ccc21 12925565 TXXPRGKFQBDFRQ-HNNXBMFYSA-N 355.438 2.325 0 40 FEAB CC(C)c1ccccc1NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O 12974588 LDDKFUJKJOYSIN-HNNXBMFYSA-N 367.515 2.152 0 40 FEAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)c1ccc(F)c(F)c1 12914415 NVIPOLKMVLCPTH-LLVKDONJSA-N 372.327 2.489 0 40 FEAB COc1ccc(-c2nnc3s/c(=C\c4ccccc4)c(=O)n23)cc1OC 3639095 CCTOZZLIZXBWRJ-YBEGLDIGSA-N 365.414 2.383 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCCn1ccnc1 95427839 SDYWERSFNQLEIP-QGZVFWFLSA-N 371.485 2.069 0 40 FEAB O=C(NC1CC1)c1cccc(NS(=O)(=O)N2CCc3ccccc3C2)c1 65563735 RPHOMKSUHNRMCL-UHFFFAOYSA-N 371.462 2.294 0 40 FEAB COC(=O)Cc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1 14351176 LVKYUGOLXZORJB-UHFFFAOYSA-N 359.378 2.437 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccccc2C)c1C 9315072 NPMIXNUEWPQSRR-UHFFFAOYSA-N 372.421 2.242 0 40 FEAB CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1 4975984 ABQWWDQYHLPSSF-SDDRHHMPSA-N 354.476 2.264 0 40 FEAB O=C(COC(=O)c1ccc(Cl)cc1O)NCc1ccc2c(c1)OCO2 7200190 BSVSFYDATBBEOW-UHFFFAOYSA-N 363.753 2.248 0 40 FEAB CN(C)C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 7818230 OHXPQTJKTHBCQQ-INIZCTEOSA-N 353.422 2.404 0 40 FEAB CCn1cc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1=O 68626544 ZWBJMEGFWWCEPT-QGZVFWFLSA-N 368.437 2.353 0 40 FEAB O=C(/C=C/c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9544698 CBZGXCNFMDPIAD-QQQVMXRDSA-N 367.442 2.034 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408591736 KAWHSGDMROATBB-AWEZNQCLSA-N 368.499 2.371 0 40 FEAB CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)NC2CC2)s1 8428994 ZSTBWDQXVNFAKD-SECBINFHSA-N 374.557 2.258 0 40 FEAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(-n2cncn2)nc1 24888811 ZMDJOXOMQGPQQX-UHFFFAOYSA-N 359.393 2.419 0 40 FEAB Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1C(=O)O 76016763 VZBLTBIEWCIEJV-UHFFFAOYSA-N 359.354 2.264 0 40 FEAB O=C(c1cc(CC2(NCc3ccccc3)COC2)no1)N1CCCCC1 67898478 SNCXQZQGUMRZBY-UHFFFAOYSA-N 355.438 2.402 0 40 FEAB biogenic,in-vitro CCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408564448 YHLCNHPXVMASFF-UHFFFAOYSA-N 374.462 2.261 0 40 FEAB Cc1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C)c2ccccc2n1 548932595 BEXSHTNATDFNEK-CYBMUJFWSA-N 350.426 2.040 0 40 FEAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc(C)on3)cc2C1 38678255 SLUAWJNYSLBWQF-UHFFFAOYSA-N 363.439 2.333 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21)c1cnccn1 306143425 YCBBDXBRHOBAQH-CQSZACIVSA-N 368.466 2.112 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CO)cc1 218486374 PMOJBOQRGQXDHQ-ULQDDVLXSA-N 351.855 2.278 0 40 FEAB COc1cccc([C@H]2[C@H](C(=O)Nc3nccs3)[C@@H](C)Nc3ncnn32)c1 36621315 CRQDODVQDBSDOA-HONMWMINSA-N 370.438 2.402 0 40 FEAB CS(=O)(=O)NCCSc1nc2ccccc2c(=O)n1C1CCCC1 78552713 JPUMZVLWRCIYGQ-UHFFFAOYSA-N 367.496 2.153 0 40 FEAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 223656121 IRQXPBVTQUVSGC-UHFFFAOYSA-N 368.386 2.003 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 46464068 IIVXCNQTCYTQEM-CYBMUJFWSA-N 362.426 2.077 0 40 FEAB COc1cc(OC)c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1OC 49776184 DPIFMRFSVDDBNG-UHFFFAOYSA-N 358.350 2.296 0 40 FEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222873115 YUJULPOYRNNGTM-MRXNPFEDSA-N 370.449 2.280 0 40 FEAB COc1ccc(-c2nn(CCCC(=O)NCC(C)C)c(=O)cc2OC)cc1 96100935 DWOOTODJNNTSCX-UHFFFAOYSA-N 373.453 2.480 0 40 FEAB Cc1ccccc1[C@@H](O)[C@](Cl)(I)S(C)(=O)=O 96520023 PJKNVAONEPAJCX-ZJUUUORDSA-N 374.627 2.401 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)c4cccn4C)C3)C2=O)c1 96050675 XBSGRFBJIGUBAC-OAQYLSRUSA-N 367.449 2.299 0 40 FEAB CC(=O)N1CCC(N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)CC1 257208109 BKURTHNZESCUOW-HKUYNNGSSA-N 350.434 2.041 0 40 FEAB CN([C@H](C(=O)NCCCOC1CCCC1)c1ccccc1)S(C)(=O)=O 260845628 VECVXZKGBWMRMS-KRWDZBQOSA-N 368.499 2.085 0 40 FEAB O=C(Cc1cccnc1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 630142279 WGIPHYIYCIBQID-QGZVFWFLSA-N 367.405 2.342 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2ccnc(C(F)(F)F)c2)C1 643692698 NGZCWDWWFXHFMN-AWEZNQCLSA-N 355.320 2.034 0 40 FEAB CC(C)[C@@H]1N(C(=O)NCc2cccc(OCC(N)=O)c2)CC12CC=CC2 645329629 DHRHZHGPJAHFRR-SFHVURJKSA-N 357.454 2.437 0 40 FEAB O=C(NCc1cnn(CC(F)(F)F)c1)N1CCO[C@@H](CC(F)(F)F)C1 660913113 OYULNOXPALZSQC-JTQLQIEISA-N 374.285 2.308 0 40 FEAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCN(C2CC2)C1=O 669085799 CSTFZMCQTQPWJF-QGZVFWFLSA-N 370.497 2.009 0 40 FEAB C[C@@H](O)[C@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 679585304 BWQQUBVWIMTPBO-HIFRSBDPSA-N 354.406 2.212 0 40 FEAB CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 681947532 RLIUIKJDSZOSCG-LLVKDONJSA-N 373.374 2.178 0 40 FEAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575421419 IAMDXGOVXXPUHC-OAHLLOKOSA-N 359.513 2.200 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4ccsc4)CC3)C2)cn1 585103753 FYUFOSQXUYIMFJ-UHFFFAOYSA-N 358.467 2.296 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCCCN3CCC[C@H](C)C3)CC2=O)c1 36390357 YEDRDEYZDJTZDM-DLBZAZTESA-N 373.497 2.286 0 40 FEAB COc1ccc(CNC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1OC 58894226 WOXVXSRTFZTXBX-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB CCc1nn(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3occc3n12 5149334 WTGFHZJBXDAVLK-STQMWFEESA-N 356.426 2.309 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)[C@@H]3CCCO3)CC1)O2 19219143 QLJOMNUFNCXRLK-WSGJVKOYSA-N 358.438 2.094 0 40 FEAB Cc1c(CN2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)cnn1C 19553656 ZZWTVDRCQFGATG-HNNXBMFYSA-N 357.458 2.332 0 40 FEAB Cc1nc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)no1 1888879360 FLLNWVBWODOJRO-UHFFFAOYSA-N 371.416 2.448 0 40 FEAB O=C([C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCSCC1 1888913373 BDHKRVDEFIPHCB-OAHLLOKOSA-N 374.428 2.482 0 40 FEAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)OCO2 1889061965 LPSQGJULHYQESG-INIZCTEOSA-N 366.377 2.456 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2nc3cc(Cl)ccc3o2)CC1 1889180538 ZGRMSXVXODIUMZ-UHFFFAOYSA-N 355.847 2.486 0 40 FEAB CC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)s3)c(F)c2)C(=O)O1 4394011 FGUCVLMMGZZQBB-NSHDSACASA-N 360.370 2.282 0 40 FEAB CCc1ccc(C(=O)N2CCCn3cnc(C(=O)NCC(C)C)c3C2)cn1 1565547103 NMBOJZUGRHEAAO-UHFFFAOYSA-N 369.469 2.272 0 40 FEAB Cc1ncnc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)c1C 1565555832 QONYHWDRCIRJQT-DOTOQJQBSA-N 372.494 2.128 0 40 FEAB COc1cc(C(=O)NCCc2cn3ccccc3n2)cc(OC)c1OC 4248436 UPLNATLAARSUFJ-UHFFFAOYSA-N 355.394 2.333 0 40 FEAB Cc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1 5143429 RVIIRBHMQDDTEJ-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB O=S(=O)(NCCNc1ccc(Nc2ccccn2)nn1)c1ccccc1 11697417 URKFWOXHTQKEQC-UHFFFAOYSA-N 370.438 2.006 0 40 FEAB COc1ccccc1C(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 22765563 DEMAVGPJNDWOMW-QGZVFWFLSA-N 359.495 2.475 0 40 FEAB Cc1cc(N2C[C@@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@H]3C2)ncn1 1775976182 VPXPABWDDXUZPS-QZTJIDSGSA-N 374.448 2.179 0 40 FEAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19078838 OHJRNECISALXGE-SUMWQHHRSA-N 370.428 2.392 0 40 FEAB Nc1c(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cnn1-c1ccc(F)cc1 19337007 YNRTVISBGZJMOL-CYBMUJFWSA-N 356.401 2.425 0 40 FEAB CCOC(=O)c1cccc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c1 21110606 RQKBEUJUZKPCLQ-ZDUSSCGKSA-N 369.421 2.184 0 40 FEAB CN(Cc1ccccc1Cl)C(=O)CCn1nnc2ccccc2c1=O 31336004 BDTFBTQHXQJDKX-UHFFFAOYSA-N 356.813 2.494 0 40 FEAB NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 31679616 FYTGBSXLZHFBAV-QGZVFWFLSA-N 366.417 2.020 0 40 FEAB COc1ccccc1CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 21624568 OUYFMJQJTOYYQC-LLVKDONJSA-N 354.453 2.348 0 40 FEAB CN(Cc1ccco1)C(=O)COC(=O)c1cncc(Br)c1 22703783 MAHPDNFNZVNTPD-UHFFFAOYSA-N 353.172 2.253 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1 800886 KCURUOSTGMPPAR-UHFFFAOYSA-N 371.422 2.031 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 3008215 KQRJFUDEFPDJHS-AWEZNQCLSA-N 358.891 2.408 0 40 FEAB NC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCC2 3404963 KBPWTOLLJGACSX-UHFFFAOYSA-N 362.382 2.270 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 3411682 GNJQTAQYUMHNGE-KPZWWZAWSA-N 363.845 2.457 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 3459545 ZKKZAJBZKFPZKQ-IBGZPJMESA-N 371.824 2.423 0 40 FEAB O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 4272448 KJMNAMYSEJRJLR-UHFFFAOYSA-N 373.420 2.104 0 40 FEAB CN(C1CCCCC1)S(=O)(=O)c1ccc(S[C@H]2CCOC2=O)nc1 5088904 OTOQCBACUKOFNI-AWEZNQCLSA-N 370.496 2.442 0 40 FEAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc2ccccc2[nH]1 5492374 XNXSKAHQTFWIDN-UHFFFAOYSA-N 370.386 2.169 0 40 FEAB O=C1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)=NN1 6565737 CHMZGYJDBPHXIC-KRWDZBQOSA-N 361.405 2.229 0 40 FEAB CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1OCC(=O)O 6965003 GXAXQNZPYYIILN-VXLYETTFSA-N 358.350 2.018 0 40 FEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046889 HQEFRFZXWVKLER-QGZVFWFLSA-N 370.449 2.012 0 40 FEAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(S(N)(=O)=O)cc1 7494422 AWPIMEONSRXXPO-UHFFFAOYSA-N 359.451 2.034 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC(C(N)=O)CC1 8193207 DAZKNGWCVJHDNN-OAHLLOKOSA-N 358.486 2.201 0 40 FEAB COc1ccccc1C(=O)NCC(=O)OCc1cn2cc(C)ccc2n1 8481921 FCYNQZXXXSLNIG-UHFFFAOYSA-N 353.378 2.125 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(-n2cccn2)cc1 8981794 KSXAEVOTZZBUCF-UHFFFAOYSA-N 363.421 2.034 0 40 FEAB NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC2 10518779 PDXGELHQDXRGHG-UHFFFAOYSA-N 358.463 2.242 0 40 FEAB CCCCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071510 SSCDYINJBNQXLP-UHFFFAOYSA-N 371.416 2.087 0 40 FEAB CCCc1nc(O)c2nnn(C3CCN(C(=O)c4cccs4)CC3)c2n1 12242171 BFUCKRCKPLJPOU-UHFFFAOYSA-N 372.454 2.418 0 40 FEAB O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)NCc1cccs1 12538344 NVCUKXSCMAPWDF-UHFFFAOYSA-N 354.439 2.465 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 13013004 LSZSDLOFYIOHFW-ZIAGYGMSSA-N 352.456 2.295 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1C(=O)Cc1cccs1 13266448 DOBSOGFKOBARFA-HNNXBMFYSA-N 370.430 2.103 0 40 FEAB COc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714537 RNXLMJCMAWLWQM-UHFFFAOYSA-N 354.406 2.349 0 40 FEAB CN(Cc1cccc(Cl)c1Cl)CN1C(=O)C(=O)N(C2CC2)C1=O 14021434 OWQKMCXTFBRXNR-UHFFFAOYSA-N 356.209 2.336 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cn3cccn3)cc2)c1 14519439 CQRMPMSIZIMAHM-UHFFFAOYSA-N 359.393 2.374 0 40 FEAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19078825 LCSSFCCCGUEILS-SCLBCKFNSA-N 370.428 2.392 0 40 FEAB COc1cc(CCC(=O)N2C[C@H]3Cc4c(n[nH]c4C(F)(F)F)[C@H]3C2)on1 19550458 YBWQPJDZZUDCCD-KCJUWKMLSA-N 370.331 2.156 0 40 FEAB CN(C)Cc1cc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH]n1 19708944 RPBILLWJWLIMIA-UHFFFAOYSA-N 370.453 2.262 0 40 FEAB Cc1sc(NS(C)(=O)=O)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19951944 DXPRCNAVFWGHKG-ZETCQYMHSA-N 353.425 2.209 0 40 FEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(Cc2ccccc2)CC1 20649989 GZQNKSQMIBDSTM-LJQANCHMSA-N 365.481 2.037 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCCCCC2)cc1 21090008 UKLVMADMUHRNRP-MRXNPFEDSA-N 364.467 2.077 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(SC)cc2)CC1 23787851 IPSFGHCOGQUZIG-UHFFFAOYSA-N 370.540 2.429 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136675 MMSDSGLRGFMODT-UHFFFAOYSA-N 355.438 2.113 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)CC)cc1OCC 32740496 MZCXTBKSCMAPPR-LRDDRELGSA-N 373.471 2.350 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)cc1 32999948 UMVGFARVWRSLNK-HXUWFJFHSA-N 352.434 2.327 0 40 FEAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 40135550 LYVRVGVNRSKZEP-RKDXNWHRSA-N 351.255 2.268 0 40 FEAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccccc1 40268251 OCDWUMBBUYQUQS-UHFFFAOYSA-N 360.435 2.206 0 40 FEAB COC(=O)[C@@H](NC(=O)c1cc(=O)c(OCc2ccccc2)co1)C(C)C 40310163 ZWTKKUUWMOBPPH-KRWDZBQOSA-N 359.378 2.146 0 40 FEAB biogenic O=C(NCCc1ccccn1)C(=O)Nc1ccc(Br)cc1F 42645891 IXYXKYUBLPVVQW-UHFFFAOYSA-N 366.190 2.281 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)n2)cc1 44804162 NDRLHAPFPRQDAK-UHFFFAOYSA-N 372.331 2.231 0 40 FEAB CCCn1nnnc1CS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl 45338116 NERIVOWUGJGEQA-UHFFFAOYSA-N 369.756 2.124 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cn1nnc2ccccc21)c1cccc(F)c1 48252940 QBWYREHRXBSRHN-GOSISDBHSA-N 364.384 2.210 0 40 FEAB CC(C)CN1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 55168464 IXQSSVKASMXBLB-UHFFFAOYSA-N 367.440 2.275 0 40 FEAB Cc1sc2[nH]c(CCC(=O)NC[C@@H](O)c3ccccc3)nc(=O)c2c1C 58216240 HHKGAVXCAANRSF-CQSZACIVSA-N 371.462 2.384 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(F)cc3)C2=O)o1 58223797 OJSMCJHALNPTTF-BLVKFPJESA-N 373.384 2.372 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCN(Cc2ccccc2F)CC1 58331584 DQNFVKMDWZLMIP-WBVHZDCISA-N 361.461 2.022 0 40 FEAB CCOCCO[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2n1 58377665 ZEEHMUMVQIQEQV-NSHDSACASA-N 370.247 2.155 0 40 FEAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 63676690 IZMVDHLGUANCPC-PBHICJAKSA-N 359.426 2.387 0 40 FEAB CC(C)(C)N1C[C@@H](NC(=O)COc2ccc(Br)cc2)CC1=O 72309349 DQVSGUGEHROACI-LBPRGKRZSA-N 369.259 2.344 0 40 FEAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1ccc2c(c1)OCO2 72324324 BTJCJIONOJCEDB-LBPRGKRZSA-N 354.362 2.071 0 40 FEAB O=C(C1CCCCC1)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337608 LVGQZRLFXUQWNP-UHFFFAOYSA-N 361.471 2.234 0 40 FEAB Cc1cc(C)n2nc(C(=O)N3CCC(O)(c4cccnc4F)CC3)cc2n1 72340022 IZBJMHRYMXYSTC-UHFFFAOYSA-N 369.400 2.004 0 40 FEAB Cn1nnc(-c2cccc(NC(=O)C[C@H]3CC(=O)Oc4ccccc43)c2)n1 79480390 GHIYJXNSXNKPOA-ZDUSSCGKSA-N 363.377 2.299 0 40 FEAB CN(CC1CC1)C(=O)CN1C[C@H](CCN2CCCC2=O)c2ccccc21 83403995 GGJHUELKOFZUEE-KRWDZBQOSA-N 355.482 2.471 0 40 FEAB Cc1nc(CCNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cs1 95408287 NQUBGRSZFKSQNY-AWEZNQCLSA-N 353.513 2.202 0 40 FEAB Cn1cc([C@H](CO)NC(=O)/C=C/c2cc(Br)ccc2F)cn1 95444633 XBRHAISHGOYJEM-IWZWCOEHSA-N 368.206 2.185 0 40 FEAB NC(=O)c1ccccc1COC(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1 96013420 PCTVIWPXLRJTAC-JTQLQIEISA-N 367.327 2.307 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C)c1 100396260 SRQKXODYLGHJSE-UPGMHYFXSA-N 350.418 2.359 0 40 FEAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(OC)cc1 101113670 XJAUQKCLGVLFIF-OQKWZONESA-N 368.393 2.117 0 40 FEAB CC[C@H](C)NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941353 ZWTZVKJNSUHECV-QWRGUYRKSA-N 362.879 2.418 0 40 FEAB COc1ccc2c(c1)N[C@@H]([S@@](=O)Cc1c(C)c(OC)c(C)c[n+]1[O-])N2 216646959 BBMDUQNTLINGKU-GKVSMKOHSA-N 363.439 2.024 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(SCC(N)=O)cc1 223398155 ITTNTZCURWSSHW-UHFFFAOYSA-N 350.465 2.085 0 40 FEAB Cn1cc(C(=O)N2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 248121686 KHRAYNKSJBQZAN-IBGZPJMESA-N 372.469 2.252 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@@H]1COc2ccccc2O1 252538966 NNVBONDUQBZYSM-ZQIUZPCESA-N 373.384 2.262 0 40 FEAB CN(C(=O)c1cncc(Cc2cccc(F)c2)c1)[C@@H]1CCS(=O)(=O)C1 257274625 NLXOTGVGUWOELB-QGZVFWFLSA-N 362.426 2.071 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 257276486 NTXOIYAPSHZCRA-SFHVURJKSA-N 353.422 2.122 0 40 FEAB CCc1cc(C(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)[nH]n1 266192160 URMYSKWTAMVMGI-LLVKDONJSA-N 360.380 2.235 0 40 FEAB O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(CC3CCCC3)C[C@H]1C2 306128461 HAWXMLVUIRMLAH-CVEARBPZSA-N 357.502 2.245 0 40 FEAB COc1ccc(-c2n[nH]c3c2C[C@H](C(=O)NCCN2CCCC2)CC3)cc1 306128821 HLLPYRYLJKUMCM-MRXNPFEDSA-N 368.481 2.402 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409374924 BRBISIWUVKSVML-GJZGRUSLSA-N 368.499 2.319 0 40 FEAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 409383985 TXCCTGWHWGTDDU-UHFFFAOYSA-N 362.451 2.480 0 40 FEAB CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cn3ccccc3n2)C1 502496141 QXFKBAXEZOTSPT-AAEUAGOBSA-N 354.332 2.006 0 40 FEAB NC(=O)N1CCC[C@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 564020561 LOROCAPPQNRRPR-SECBINFHSA-N 351.357 2.021 0 40 FEAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc(-c2cccs2)[nH]n1 575618012 GMXUDCAMDHNUSC-UHFFFAOYSA-N 351.395 2.044 0 40 FEAB Cc1ccoc1C(=O)N1CCn2c(COc3cccnc3)nnc2[C@H]1C 585096754 CGHCOZUUCRSENH-CYBMUJFWSA-N 353.382 2.371 0 40 FEAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585289466 HLSJFAZEIGLZEH-MBKDTXBISA-N 355.438 2.253 0 40 FEAB Cc1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)oc2ccc(F)cc12 588699544 AMBIVCWKVTULAW-INIZCTEOSA-N 373.428 2.435 0 40 FEAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccn3)no2)c1=O 1775966356 ZVQBOBONWIXWTH-UHFFFAOYSA-N 363.377 2.067 0 40 FEAB Brc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1 1775973730 RXZWWKZNZFZXGI-UHFFFAOYSA-N 361.247 2.233 0 40 FEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4nccs4)CC3)n2)n1 1775996134 WSOXLUYDGQTBKP-UHFFFAOYSA-N 356.455 2.344 0 40 FEAB CC(C)(C)c1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1 1888843518 KEGPUEKILIXGLP-UHFFFAOYSA-N 370.379 2.498 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc1 1888928915 YJCVQEROZCTRHB-HNNXBMFYSA-N 357.433 2.463 0 40 FEAB Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCSCC3)C2)cc1 1888930507 NWOCDCNYMMWHJY-MRXNPFEDSA-N 361.511 2.221 0 40 FEAB Cn1nc([C@@H]2CCCCN2C(=O)c2ccnc(N3CCCC3)c2)cc1O 2037844059 MRRNLOASUJSEFU-INIZCTEOSA-N 355.442 2.488 0 40 FEAB CC1CC(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)C1 2055717899 DLDVCRCMGXQULQ-OFLIJSTPSA-N 357.454 2.320 0 40 FEAB c1ccc(-c2ccnc(N3CCN(c4ncnc5c4CCC5)CC3)n2)nc1 2086992576 NPHRJSJYNVCYQC-UHFFFAOYSA-N 359.437 2.144 0 40 FEAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(CC2CCCCC2)nn1 2298041226 AIPGNYPOOGNOQY-UHFFFAOYSA-N 363.487 2.176 0 40 FEAB CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1C 113510 KQSYOBQZSYZSAI-RCWTZXSCSA-N 350.396 2.090 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1 2140870 VMPLQZDGNIIOIG-STQMWFEESA-N 350.415 2.370 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c1 6416112 UEOBQYNYMGKLAN-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 7029839 SOMPHDMKCYKSKH-SNVBAGLBSA-N 371.418 2.330 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 7940218 HHQLJMZPPXFHMK-CQSZACIVSA-N 374.437 2.358 0 40 FEAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2[nH]1 24979048 FPJCSNGJYSJHKH-LLVKDONJSA-N 358.423 2.425 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 12569244 WPUQSAULGPJAPW-ZDUSSCGKSA-N 368.231 2.272 0 40 FEAB COc1ccc(C(C)=O)cc1CN1CCc2cc(S(N)(=O)=O)ccc21 12517452 QALQACHDUURCEA-UHFFFAOYSA-N 360.435 2.108 0 40 FEAB CCOc1cccc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 106922816 JVNWXOPRSBQAMO-UHFFFAOYSA-N 351.410 2.319 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3ccsc3c2=O)c1 26018292 JJKGZHIUTBTRTK-UHFFFAOYSA-N 357.391 2.192 0 40 FEAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cccc(F)c2)N1)OCCCO4 12630179 MAKKWRBPBLUKKS-INIZCTEOSA-N 353.357 2.433 0 40 FEAB Cc1cc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)c(C)o1 21980865 BNKFCXUMAHJPMR-UHFFFAOYSA-N 352.350 2.148 0 40 FEAB C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)s2)C1 58192467 HVIYGYZXAJOVBF-SNVBAGLBSA-N 350.893 2.328 0 40 FEAB Cc1ccc(C)c(N(C)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 58173537 QULLBBRCBZRRAK-UHFFFAOYSA-N 371.466 2.319 0 40 FEAB CC[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(Cl)c1 58264616 RTSWANSXHRAMSF-HNNXBMFYSA-N 370.902 2.499 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 58224190 PYZCTXAAFFQDKE-OKILXGFUSA-N 357.410 2.097 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102084332 AJQFNZOUZGKTMC-AUTURXRWSA-N 350.418 2.377 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 55946510 XEQXVCWNZINLPL-UHFFFAOYSA-N 369.826 2.370 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 3379815 YHLONRMRGYURMG-UHFFFAOYSA-N 353.378 2.225 0 40 FEAB C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CCO1 11501391 FEYFHOAWVPKGCK-CQSZACIVSA-N 360.435 2.348 0 40 FEAB Cc1cnc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1 101323031 ZMOFJWJPVDBMGM-HUUCEWRRSA-N 371.462 2.395 0 40 FEAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC[C@@H]1CCCO1 3367287 IHACNIVTQCZNEO-ZETCQYMHSA-N 367.616 2.494 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@H](c1ccccc1)C1CC1 46764747 REAWIEQYNZKJAN-MRXNPFEDSA-N 356.451 2.483 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496632 RTCQSRGGBVBMCI-UHFFFAOYSA-N 359.382 2.283 0 40 FEAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 3408568 LPKYJLVADSLLON-SNVBAGLBSA-N 371.349 2.090 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccccc1Cl 12938791 MOBKLAVWRLUYKF-UHFFFAOYSA-N 358.833 2.226 0 40 FEAB CCOC(=O)c1ccoc1CSc1nnc(SCC(N)=O)s1 12940017 UQPIJLPWSFTILP-UHFFFAOYSA-N 359.454 2.178 0 40 FEAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCc3ccco3)cc2s1 13683331 KIDODDXPKKJTFK-UHFFFAOYSA-N 365.436 2.233 0 40 FEAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1CCCO1)n2C 13690557 BJKWOYJINBUEER-QGZVFWFLSA-N 372.469 2.396 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)NC2CCCC2)cc1 4285440 SITYNORHDSHQLA-CQSZACIVSA-N 367.467 2.149 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 14097454 VIGAUXBRIZQVDB-UHFFFAOYSA-N 373.434 2.196 0 40 FEAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)s1 14134644 NPRDWIJOYHCBJF-UHFFFAOYSA-N 365.436 2.334 0 40 FEAB CCN(Cc1ccccc1)Cn1nc(C(=O)NC)c2ccccc2c1=O 14114482 OYBVFCXGBQQHJM-UHFFFAOYSA-N 350.422 2.236 0 40 FEAB CC(C)NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 23236875 BGSGFCHPZHYAAN-UHFFFAOYSA-N 353.469 2.357 0 40 FEAB CC(C)C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 6626583 URZVGLSCVJBUOJ-MRXNPFEDSA-N 371.359 2.158 0 40 FEAB O=C(Nc1ccc2[nH]ncc2c1)c1cccc(S(=O)(=O)NC2CC2)c1 71794620 KMOOWMNTCADFJG-UHFFFAOYSA-N 356.407 2.256 0 40 FEAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccc2c(c1)OCCCO2 8000287 NEKZHZBYYCDXQH-UHFFFAOYSA-N 357.395 2.202 0 40 FEAB CC(=O)c1ccc(OCCCC(=O)NCc2nnc3ccccn23)cc1 8428248 UWNRWTMCIVGGEZ-UHFFFAOYSA-N 352.394 2.407 0 40 FEAB COc1cc(C2(C(=O)N3CCO[C@@H](c4noc(C)n4)C3)CC2)ccc1C 95468251 SGRPVVNKPJORGS-MRXNPFEDSA-N 357.410 2.327 0 40 FEAB COC(=O)C1=C(C)O[C@H](CSc2nnc(-c3ccc(C)cc3)n2N)C1 95444448 OSKNIEZQWJGEFH-ZDUSSCGKSA-N 360.439 2.295 0 40 FEAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC1CCOCC1 89851143 KQOPKNCJEHZUCL-UHFFFAOYSA-N 369.446 2.420 0 40 FEAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccs3)CC2)C1 306133121 MCSCUPZAODBYAV-UHFFFAOYSA-N 361.471 2.221 0 40 FEAB CCOc1ccc(C(=O)N(CC)CC)cc1S(=O)(=O)N1CCCC1 408698062 NEUBIHJDGHWSNP-UHFFFAOYSA-N 354.472 2.352 0 40 FEAB COc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409136596 XRRRJWUTUDMFAU-NYYWCZLTSA-N 357.771 2.478 0 40 FEAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1CCc1c[nH]cn1 30822922 OPGKXFXKZXGXLQ-UHFFFAOYSA-N 369.812 2.408 0 40 FEAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2cc[nH]n2)cc1 72354869 APCCPVCWSCAQEZ-MRXNPFEDSA-N 364.409 2.435 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 38679322 QVEDLVKMOKDGAB-UHFFFAOYSA-N 356.382 2.497 0 40 FEAB O=C(O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 35587877 ZMGOTCOTABWBMY-SNVBAGLBSA-N 362.798 2.357 0 40 FEAB Cc1cccc(Nc2cccc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 72375234 QDZNXFDCJXIQSP-OAHLLOKOSA-N 361.471 2.472 0 40 FEAB C[C@@H]1Oc2ccc(S(=O)(=O)N(C)Cc3cccs3)cc2NC1=O 227168419 AQWVGOOKCSWIBK-JTQLQIEISA-N 352.437 2.288 0 40 FEAB O=C(NCCN1Cc2ccccc2OCC1=O)c1nccc2ccccc12 225770489 XDOJPVUXAHJODB-UHFFFAOYSA-N 361.401 2.386 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC2CCCC2)cc1 225322996 ZPZQYBBDVSGABR-UHFFFAOYSA-N 368.499 2.081 0 40 FEAB COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1 40266332 DEPADLYTZDNFHQ-HNNXBMFYSA-N 366.780 2.032 0 40 FEAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cc(C2CC2)n[nH]1 225807865 FRSKRZLBXNYWKE-UHFFFAOYSA-N 350.304 2.279 0 40 FEAB Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1 96259349 OYVIMDVDZCFHLM-UHFFFAOYSA-N 352.438 2.360 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cs1 96108900 AHFRYNSJMNZPOZ-CRAIPNDOSA-N 359.451 2.152 0 40 FEAB Cc1ccsc1CN1CCC2(CC1)C[C@@H](OCC(=O)N(C)C)CO2 96106603 DHZOZTOGFWEFQD-OAHLLOKOSA-N 352.500 2.285 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333302171 QGEFGPVOVNMMCH-NALNUFGESA-N 356.397 2.307 0 40 FEAB O=C(NCCn1cnc2ccccc2c1=O)c1cc(-c2ccccc2)n[nH]1 96117223 BSWKSDXTZBORFT-UHFFFAOYSA-N 359.389 2.217 0 40 FEAB O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1ccc2c(c1)OCO2 96239028 UHJJWYBQRBSQQG-HXUWFJFHSA-N 351.406 2.439 0 40 FEAB Cc1ccc2nc(C(=O)N3CCC[C@@H](Cc4nccnc4N)C3)cn2c1 257294096 QSKJLIUQUBFWPI-AWEZNQCLSA-N 350.426 2.110 0 40 FEAB Cc1ncncc1C(=O)N1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1 257263370 LPOQLLPFZJGSAE-AWEZNQCLSA-N 350.426 2.395 0 40 FEAB CCc1nn2c(=O)cc(CNc3cccc(C(=O)OC)c3C)nc2s1 26792612 XWZWQOABQUOEDT-UHFFFAOYSA-N 358.423 2.421 0 40 FEAB CCc1nocc1C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 612197665 YJVIFRQNYNHQJY-CQSZACIVSA-N 359.426 2.259 0 40 FEAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cc2occc2s1)N1CCCC1 1615546813 IBNJJUJCEYINCJ-AVGNSLFASA-N 360.435 2.489 0 40 FEAB COc1nccc2cc(NC(=O)N3CC[C@H](N4CCOCC4)C3)ccc12 653580121 WCKGUCSMMNKTBG-INIZCTEOSA-N 356.426 2.182 0 40 FEAB CCC[C@@H](O)[C@@H](CO)NC(=O)CCCc1cccc(Br)c1 665642864 ONDXFHHLVYWHPX-HUUCEWRRSA-N 358.276 2.410 0 40 FEAB Cc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)C2)n(C)n1 683495517 PMHXQJVUSFIDHV-CQSZACIVSA-N 368.441 2.419 0 40 FEAB O=C(c1cccc(O)c1)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575403431 IDTGWKDAFYUBBN-SFHVURJKSA-N 354.406 2.378 0 40 FEAB O=C1C[C@H](c2ccccc2)N(C[C@H](O)COc2ccc(F)cc2)CCN1 52835130 BCSPZAAVPTZKOL-PKOBYXMFSA-N 358.413 2.129 0 40 FEAB O=C1N[C@]2(Nc3cc(Cl)ccc31)C(=O)Nc1cc3c(cc12)OCCO3 40155844 YSPNNIJXQATLPA-KRWDZBQOSA-N 357.753 2.072 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4ccsc34)C[C@@H]2C(=O)N1Cc1ccccc1 664186439 XUYAYYDXUUFVBI-OKILXGFUSA-N 364.430 2.313 0 40 FEAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3ccncc3)CC2)C1 12365453 DNXRIMMXAZGYNH-UHFFFAOYSA-N 365.433 2.498 0 40 FEAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccco1 13010404 SUNVKRPPESUHEP-UHFFFAOYSA-N 360.443 2.393 0 40 FEAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680863 FIQZHROTWOBLOL-SFHVURJKSA-N 374.462 2.310 0 40 FEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2cccs2)CC1 14116711 UQJUSARVCGSKAB-OAHLLOKOSA-N 369.490 2.484 0 40 FEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnc2sccn2c1=O 16104414 ZVJJAPRIISZTBD-UHFFFAOYSA-N 351.290 2.330 0 40 FEAB Cc1ccnn1C[C@@H](C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19238345 IUGKWVYTIVIBGM-MRXNPFEDSA-N 372.469 2.177 0 40 FEAB CN1CCN(C(=O)c2ccc(Cn3cncn3)cc2)[C@@H](c2ccccc2)C1 19589366 NSCSFVMIRSOLJL-HXUWFJFHSA-N 361.449 2.455 0 40 FEAB CC(C)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700883 XTAUYJCLZJRXQI-OAQYLSRUSA-N 353.466 2.420 0 40 FEAB COCc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cc1 1565555562 CTJJULBXTWJSBG-VQTJNVASSA-N 370.449 2.399 0 40 FEAB COc1ccccc1CCNC(=O)CSc1nc(=O)[nH]c2c1CCCC2 4316949 RNXZWWSTTHJNIL-UHFFFAOYSA-N 373.478 2.108 0 40 FEAB COc1c(C)cnc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1C 4626521 MQWKAXVEPPAFCN-UHFFFAOYSA-N 360.502 2.013 0 40 FEAB O=C1[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@H]2C(=O)N1Cc1ccccc1 2086889209 QBGQLEIMZJJDGW-IAGOWNOFSA-N 362.433 2.366 0 40 FEAB Cc1cc(N2CCCN(c3ccc4nccn4n3)CC2)n2nc(C)cc2n1 2086868902 YULSLCSGBZELPO-UHFFFAOYSA-N 362.441 2.106 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H](Oc3cncc(OC)n3)C2)cc1 225497879 TUWNGQVHTQBWEJ-QGZVFWFLSA-N 371.437 2.496 0 40 FEAB Cc1cccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c1C 49403956 NTVZTAOPLQPKLU-UHFFFAOYSA-N 370.434 2.210 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CC1 40157446 SGTVDVIGJVKDRK-HNNXBMFYSA-N 358.463 2.201 0 40 FEAB O=c1oc(-c2cccs2)nn1Cc1cc(=O)n2cc(Cl)ccc2n1 32865445 NVZJCKBKRWEEPF-UHFFFAOYSA-N 360.782 2.274 0 40 FEAB O=C(NCCc1cccs1)c1ccc(=O)n(CCOc2ccccc2)n1 21703838 ZKKFAZHSWJNZOU-UHFFFAOYSA-N 369.446 2.356 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 53115259 XNRPWOZERRMSPU-RDJZCZTQSA-N 357.458 2.360 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nncs2)c1 837443 FQZNUEUUTYFYLH-UHFFFAOYSA-N 374.875 2.474 0 40 FEAB Cc1cccc2cc(CN(CCO)C(=S)NCc3ccco3)c(=O)[nH]c12 1224302 YVPIFWXXHAOOCF-UHFFFAOYSA-N 371.462 2.299 0 40 FEAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 4340569 FNYKDVUQEJSHCJ-LBPRGKRZSA-N 354.362 2.210 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 106213334 HYHFZHBMZVGEHY-KWBADKCTSA-N 366.723 2.124 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)NCC(F)(F)F)c2O1 8193624 DMHAWNCUUPJYJV-UHFFFAOYSA-N 361.316 2.001 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 8288707 ORZOXGLQCAYQBC-UHFFFAOYSA-N 372.805 2.405 0 40 FEAB COc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1F 8494134 FPWKXZRVONWLKO-UHFFFAOYSA-N 369.414 2.373 0 40 FEAB Cc1cccc2c1ccn2CCNC(=O)Cn1cnc2ccccc2c1=O 72402584 QUYCTOAIJJWSRA-UHFFFAOYSA-N 360.417 2.476 0 40 FEAB CC(=O)N1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 34802349 YDVBIBMLAQHFHT-UHFFFAOYSA-N 351.450 2.056 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCc3cc(Cl)ccc32)cn1C 57021841 JHAJGYMRCKMALZ-AWEZNQCLSA-N 367.858 2.004 0 40 FEAB CCC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35308093 KCYGYMWYDGWJSG-UHFFFAOYSA-N 359.348 2.078 0 40 FEAB COc1ccccc1-n1cnnc1SCC(=O)N1C[C@H](C)O[C@H](C)C1 12621101 WBOVJMHQWUVBMS-BETUJISGSA-N 362.455 2.004 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccc2c(c1)OCCO2 57703433 UTUCWBFEGUDTHB-UHFFFAOYSA-N 370.430 2.213 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)c[nH]1 58192197 WBQYDSXGKNSDSZ-UHFFFAOYSA-N 370.390 2.147 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](c1cccs1)C1CCCC1 58109319 VUTQHHYIFKHRDD-MRXNPFEDSA-N 361.467 2.413 0 40 FEAB COc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc(OC)c1 44841268 YYIKVPLXXDVSKB-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB O=C(Nc1ccccn1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58208927 DEILYURBYOCFFO-CVEARBPZSA-N 362.389 2.294 0 40 FEAB Cc1ccc(-c2ncc(C(=O)NC3CCN(CC(N)=O)CC3)s2)c(C)c1 58218078 BAICKGNAVVEAFV-UHFFFAOYSA-N 372.494 2.106 0 40 FEAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 58321246 QOAIPPXMXNYXHR-HXUWFJFHSA-N 369.421 2.484 0 40 FEAB O=C1Nc2ccccc2[C@]12N=c1ccccc1=C(O)N2CCc1ccccc1 36352583 OQYCYRXKRMQQEG-HSZRJFAPSA-N 369.424 2.293 0 40 FEAB C[C@@H](NC(=O)CN1CCN(C(=O)C2CC2)CC1)c1cc2ccccc2o1 36389692 SVOQMCGMVOZKGU-CQSZACIVSA-N 355.438 2.164 0 40 FEAB CN(Cn1nc(-c2ccccc2F)oc1=S)[C@@H]1CCS(=O)(=O)C1 12813296 XZLUUVAHBMQNSU-SNVBAGLBSA-N 357.432 2.088 0 40 FEAB COC(=O)c1ccc(OCc2cc(=O)n3c(C)csc3n2)c(OC)c1 11392803 JCHWXBYFHADXOE-UHFFFAOYSA-N 360.391 2.439 0 40 FEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1Br 3506804 DEFMZGJTGKCEJX-UHFFFAOYSA-N 357.204 2.230 0 40 FEAB CCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 12972493 AIXPLJXPHPZOFG-ITKZLYELSA-N 373.858 2.064 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3cccc(CS(C)(=O)=O)c3)ccc21 12975061 MVFPHOAEPDFFAG-UHFFFAOYSA-N 372.446 2.393 0 40 FEAB Cc1ccc(C(N)=O)c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12919835 WYMFDJQNLXDAIV-UHFFFAOYSA-N 367.405 2.004 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 12948051 REDYMCFZXXILPX-OAHLLOKOSA-N 350.396 2.295 0 40 FEAB CCc1ccccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9117865 ZKANOIUKKYWQFO-ZDUSSCGKSA-N 373.478 2.286 0 40 FEAB CCc1nnc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)s1 13015311 JXWGLKQJGWCCOF-SNVBAGLBSA-N 353.835 2.492 0 40 FEAB COc1ccc(CCC(=O)Nc2nc(CC(=O)O)cs2)cc1OC 13404955 PEODRHYVHILKLY-UHFFFAOYSA-N 350.396 2.359 0 40 FEAB COc1ccc(CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 4483881 LCIFZKASHJLZJJ-HZPDHXFCSA-N 354.341 2.328 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 14016139 FKUDXUJAKWOJFK-CWTRNNRKSA-N 371.368 2.091 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 4998935 LVKHKRDBVKXITH-KRWDZBQOSA-N 372.465 2.458 0 40 FEAB CC(C)CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542611 XCPMVTQIIKRXIS-UHFFFAOYSA-N 364.511 2.444 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 9500353 NGHNVQUEQPPXNX-BTDLBPIBSA-N 351.353 2.404 0 40 FEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 7736838 VEUPKHQBGJBABI-ZMZPIMSZSA-N 374.466 2.393 0 40 FEAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCC(F)(F)F 7781631 GATAZKQCQRJSBR-ZETCQYMHSA-N 365.768 2.475 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 24095470 JGXCYJCEEBJRSK-VIRKOWFMSA-N 371.433 2.419 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709505 VMRUNTQBVDNNJP-NSHDSACASA-N 366.381 2.025 0 40 FEAB Cc1occc1C(=O)NCC(=O)N1CCC2(CC1)C[C@@H]2CN1CCCC1 95982771 YGVFCHGXMLXIFU-MRXNPFEDSA-N 359.470 2.042 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccsc3)C2)cc1C(N)=O 670294661 TXVWPMDIBXKLFV-LLVKDONJSA-N 366.464 2.034 0 40 FEAB Cc1nnc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c3ccccc3n12 64871479 CSAJGFAMVJNKRK-UHFFFAOYSA-N 369.331 2.270 0 40 FEAB CC(C)Cc1noc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 500406819 POICMQFZSAIRGG-BEFAXECRSA-N 355.442 2.257 0 40 FEAB Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 38771499 RGUVVKZEPDTJDY-UHFFFAOYSA-N 365.430 2.386 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1 71195646 HFYUNSLGDDDSIG-HNNXBMFYSA-N 350.426 2.425 0 40 FEAB COc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cn1 225779070 UYMFXZNPIIKOHG-UHFFFAOYSA-N 372.494 2.409 0 40 FEAB COc1ccc(OC)c(NC(=O)c2sc(NS(C)(=O)=O)nc2C)c1 225878151 HHAKNTRQVHGUAA-UHFFFAOYSA-N 371.440 2.093 0 40 FEAB Cc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224195477 IBUQDUCNOYIDOV-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB O=C(N[C@H]1CCCc2occc21)N1CCN(C(=O)c2ccccn2)CC1 194051122 FVDHVWRLBPIEJH-HNNXBMFYSA-N 354.410 2.220 0 40 FEAB O=C(c1ccc[nH]1)N1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1 96076781 OITDLVXARVSFDG-IBGZPJMESA-N 358.417 2.308 0 40 FEAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1C(=O)C1CCOCC1 96206455 QSVMVPSLVAAGCO-AWEZNQCLSA-N 356.426 2.187 0 40 FEAB CCCCCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000174 WSCPWCOQYQZGGU-JKSUJKDBSA-N 370.902 2.344 0 40 FEAB COc1ncccc1C(=O)N1CCn2c(COCC3CC3)cnc2[C@H]1C 96109772 NWVZCXJYEATJEO-CYBMUJFWSA-N 356.426 2.430 0 40 FEAB Cc1cccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ncccc2F)n1 96058066 ZERAFAQNMGAGSQ-GVDBMIGSSA-N 357.385 2.375 0 40 FEAB O=C(Cc1ccsc1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247869986 QFHZPZZXZNBUPH-HNNXBMFYSA-N 358.467 2.200 0 40 FEAB COc1cc([C@@H](C)NC(=O)c2cc(F)ccc2N2CCN(C)CC2)ccn1 585083270 KJUNERUVOWPVJX-CQSZACIVSA-N 372.444 2.472 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)c3nccn3C)CC2)C1 257238125 HJRMOBYCDJBIMD-QGZVFWFLSA-N 354.454 2.320 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257298738 RNCAPOGUKHBFEW-KSSFIOAISA-N 371.412 2.314 0 40 FEAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)[C@H]1O 257335461 YKFZKMKCNROGRB-MBOZVWFJSA-N 367.453 2.271 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257212870 CFGRFUYEJOAEMV-KRWDZBQOSA-N 355.394 2.090 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602917476 DEDZQHXSAFNNSH-FZQKWOKYSA-N 357.813 2.133 0 40 FEAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 630654245 AGGIRKOHVBBNTP-ROUUACIJSA-N 355.438 2.215 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNc2cc(-n3cccc3)ncn2)c(C)c1 90607837 TVMZWKRCSONJSL-UHFFFAOYSA-N 371.466 2.275 0 40 FEAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575406005 WNUAFBFQDORHCZ-AWEZNQCLSA-N 372.425 2.178 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1=O 585106641 DFBMMWKDNNIINO-OXQOHEQNSA-N 353.397 2.309 0 40 FEAB COc1ccccc1[C@H]1CCCN1CC(=O)NC(=O)NCC(F)(F)F 69085746 GTVVLNNJGKELHB-GFCCVEGCSA-N 359.348 2.220 0 40 FEAB Nc1nc2[nH]cc(-c3ccc(I)cc3)c2c(=O)[nH]1 44832048 PCDOICLRIVXYQF-UHFFFAOYSA-N 352.135 2.105 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 47031456 LDOSZHARRQTMBC-AWEZNQCLSA-N 366.439 2.022 0 40 FEAB O=C(CNc1ccc(SC(F)(F)F)cc1)NCC(=O)N1CCCC1 50783708 YFMVTPDIYPLKAX-UHFFFAOYSA-N 361.389 2.449 0 40 FEAB CN1CC[C@@H](C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)CC1=O 75569160 VYOHILZQGTZPAV-GFCCVEGCSA-N 358.423 2.202 0 40 FEAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)SCCN(C)C 83827751 DDHBRATUCFZOPA-AWEZNQCLSA-N 351.516 2.329 0 40 FEAB O=C(NCc1cccs1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 11026043 QQMRTSXSSDWILA-UHFFFAOYSA-N 369.446 2.228 0 40 FEAB CCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCC[C@H](CO)C1 12087646 RPBFQCDLJMEUIJ-AWEZNQCLSA-N 354.458 2.209 0 40 FEAB O=C(CCc1ccccc1)N[C@H]1CCCc2nc(N3CCOCC3)ncc21 13267097 OWLILIHUFUPCKQ-SFHVURJKSA-N 366.465 2.440 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(O)c2ccc(Cl)cc2n1 14184470 YWPARXQZIUJLGC-MRXNPFEDSA-N 368.824 2.401 0 40 FEAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 19498968 FWRGKSCKUZFGIG-OAQYLSRUSA-N 352.434 2.389 0 40 FEAB COc1ccc(CNC(=O)N[C@@H]2CCN(c3nccs3)C2)cc1OC 206816699 OOKCETOTBLBCCD-CYBMUJFWSA-N 362.455 2.238 0 40 FEAB Cc1cc2c(N3CCN(C(=O)c4ccnnc4C)CC3)ncnc2s1 548078750 HEWAHGRPXGVHFZ-UHFFFAOYSA-N 354.439 2.061 0 40 FEAB CC(C)CN1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 7151109 MSFMYAMVWLVCQA-UHFFFAOYSA-N 366.801 2.448 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCCCn2cnc3ccccc32)c1 12489855 OOEMFUXJMUUNAV-UHFFFAOYSA-N 357.435 2.260 0 40 FEAB CSc1nc(N2CCN(Cc3noc(C)n3)CC2)cc(C(F)(F)F)n1 1888864331 QBRRBZQUBHMXFZ-UHFFFAOYSA-N 374.392 2.231 0 40 FEAB c1cnn(CCN2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)c1 1889148870 BYJHGFAWBDTWOG-UHFFFAOYSA-N 350.426 2.279 0 40 FEAB O=C(c1csnn1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542765 PWMOPDDBBLGION-AEFFLSMTSA-N 374.466 2.161 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O 4249165 YPRAXOFWUMFHLI-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4370471 REPQGDDEHJAGFM-UHFFFAOYSA-N 365.437 2.281 0 40 FEAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C 4304849 QAYGYHAQAVRMQD-UHFFFAOYSA-N 351.472 2.475 0 40 FEAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccn2)cc1 4623141 NGONCCQSKOPUIZ-UHFFFAOYSA-N 362.389 2.099 0 40 FEAB CCC(CC)CN1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055745919 QBNSPQYTZUYXBT-UHFFFAOYSA-N 361.534 2.147 0 40 FEAB COc1ncccc1CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 30041792 FIWZRIXZEUHQOR-ZIAGYGMSSA-N 356.426 2.029 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c1 20556269 WDXZXMKQYQUENO-UHFFFAOYSA-N 365.477 2.459 0 40 FEAB NC(=O)Cc1ccc(OCc2noc(C(=O)NC3CCCCCC3)n2)cc1 20718184 LYWSCPLVWDZMAD-UHFFFAOYSA-N 372.425 2.129 0 40 FEAB CC(C)(C)c1ccc(O)c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 21006709 SNCPXSXLBUCQGE-IBGZPJMESA-N 359.426 2.349 0 40 FEAB CC(C)C[C@H](C(=O)NCc1cccc(O)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102135596 XYSDEZYGTDBZJN-FGTMMUONSA-N 370.449 2.374 0 40 FEAB CN(C)C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 52555297 NBFBHFAZRKYZHV-KRWDZBQOSA-N 361.467 2.091 0 40 FEAB CCCNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 33040375 OFZKTTAIBHXFKQ-BETUJISGSA-N 355.460 2.016 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2nc(-c3cccc4[nH]ccc34)no2)n1 12389733 WHVIQGAHSNNMNG-UHFFFAOYSA-N 350.382 2.461 0 40 FEAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 810950 VPWPEAAWIZYTQC-CQSZACIVSA-N 368.499 2.401 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)o2)cc1 23865875 MSBDKPJRYZPZSU-GOSISDBHSA-N 368.349 2.305 0 40 FEAB O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(C(=O)C2CC2)CC1 24030304 XFBGTOZSVDMZQJ-UHFFFAOYSA-N 352.438 2.137 0 40 FEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(CC(=O)N2CCCCCC2)CC1 105766260 PMQOZBLTJWSCMR-FHWLQOOXSA-N 361.530 2.360 0 40 FEAB CC(C)C[C@@H](c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1 4873219 HZJXQLCZOVYAIR-KRWDZBQOSA-N 356.474 2.006 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)CCn2c(C)csc2=O)c1 6648385 QPDSARKYQHQGCM-UHFFFAOYSA-N 365.407 2.052 0 40 FEAB COc1cc(C(=O)NCC(=O)Nc2cc(C)ccn2)ccc1OC(F)F 12532691 VXTMIIMSTXWVJK-UHFFFAOYSA-N 365.336 2.369 0 40 FEAB CNC(=O)c1ccc(NC(=O)CCc2nc3ccccc3oc2=O)cc1 25049341 UNJYCYGUQKPVPL-UHFFFAOYSA-N 351.362 2.119 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)C1CCN(C(=O)C2CC2)CC1 12544636 PAZBKCLZEOOOJI-UHFFFAOYSA-N 354.454 2.260 0 40 FEAB COc1ccc(OC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2C)c1 55856141 KCCGNDHYSLEPIT-UHFFFAOYSA-N 368.397 2.039 0 40 FEAB Cc1sc2ncnc(N3CCN(CC(=O)NC(C)(C)C)CC3)c2c1C 57363103 ZQQOIVNDOIKROF-UHFFFAOYSA-N 361.515 2.345 0 40 FEAB CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 100643186 BJLOPVKFECOISX-RYLXDESZSA-N 355.434 2.354 0 40 FEAB CCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)O 2094505 LGRLFDAKTSTCQD-CQSZACIVSA-N 361.394 2.412 0 40 FEAB biogenic C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)CCO1 48287413 LRNAGHMXJOUVOO-ZDUSSCGKSA-N 367.409 2.220 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCN(c2ncc(Br)cn2)CC1 36395829 WGHGRDZXIIDMKK-GFCCVEGCSA-N 351.248 2.244 0 40 FEAB O=C(COC(=O)C1=COCCO1)Nc1ncc(C(F)(F)F)cc1Cl 3317298 FCCPWRMCEXEZTF-UHFFFAOYSA-N 366.679 2.124 0 40 FEAB O=C(CN1CCC[C@@H]1CO)Nc1nc(-c2ccc(F)c(F)c2)cs1 63512514 CMYKNLZKEMGCLQ-LLVKDONJSA-N 353.394 2.484 0 40 FEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC2CCCCC2)cc1 4285613 UEEMWOITGFOMGH-UHFFFAOYSA-N 367.467 2.151 0 40 FEAB CCOC(=O)[C@@H](C)N1CC(=O)N(c2ccc(Br)cc2)C1=O 13839425 CXBJINCYGHFHPQ-SECBINFHSA-N 355.188 2.169 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)Oc2ccc(-n3cnnn3)cc2)CC1 39980506 SCEUUBSMLVSJIA-UHFFFAOYSA-N 373.413 2.215 0 40 FEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)CCC2 6605924 NHBNQGRRAWKJSB-UHFFFAOYSA-N 363.373 2.207 0 40 FEAB CCS(=O)(=O)Nc1cc2c3c(n(S(=O)(=O)CC)c2cc1C)CCC3 4945024 UDUWDAWNAMCAAC-UHFFFAOYSA-N 370.496 2.398 0 40 FEAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cnn(-c2ccccc2)n1 71837489 VGIHLZLRJMFLSC-UHFFFAOYSA-N 372.388 2.176 0 40 FEAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC1CCCC1 8519221 IGKGMRIVDMLOGI-UHFFFAOYSA-N 369.450 2.260 0 40 FEAB COc1cccc(NC(=O)[C@H](NCCN2CCOCC2)c2ccccc2)c1 83973590 CLLBWBVWZSXESY-HXUWFJFHSA-N 369.465 2.297 0 40 FEAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1 95969514 BQLYBJYWDIDOGK-NWDGAFQWSA-N 368.430 2.209 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)c3ccccc3)CC2=O)cc1 75104853 PMHWRROBQQGFEO-MSOLQXFVSA-N 352.434 2.240 0 40 FEAB O=C1c2cccn2[C@@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccccn1 306138509 RZDQRXIPWIIBLZ-WOJBJXKFSA-N 359.433 2.360 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1 408558875 UGWPZOBSKLUESO-AWEZNQCLSA-N 368.499 2.401 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 524733264 JYOUOFKZYIEYGT-VQIMIIECSA-N 361.490 2.167 0 40 FEAB O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@]2(F)CNC(=O)[C@]2(F)C1 306132590 LNACBDXCUYCBEP-CHWSQXEVSA-N 366.311 2.301 0 40 FEAB CC(=O)Oc1ccc2occ([C@H]3N[C@@H](C(=O)O)C(C)(C)S3)c(=O)c2c1 74938362 PFFPHYYANJHODY-GJZGRUSLSA-N 363.391 2.285 0 40 FEAB Cc1c(C(=O)O)sc2ncnc(NCC3(N(C)C)CCOCC3)c12 567979259 FHORBFXSMTWIRS-UHFFFAOYSA-N 350.444 2.221 0 40 FEAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225224115 UEKGKLZBDPJPLW-STQMWFEESA-N 372.487 2.019 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 223023706 RGLTUXYUPJDEJK-UHFFFAOYSA-N 368.484 2.044 0 40 FEAB COc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1OC 47227722 LODRKVXYLPDZJD-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCN1C(=O)OC(C)(C)C 85340210 SBYBWPWXYIGEND-CJNGLKHVSA-N 362.426 2.294 0 40 FEAB O=C(c1ccccn1)N1CC[C@H]2OCC[C@@]2(COCc2ccccn2)C1 96111175 ZFRLGGPZWXZMPL-QUCCMNQESA-N 353.422 2.315 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2 96045021 ILKOIMGGYROQRZ-QGZVFWFLSA-N 359.470 2.399 0 40 FEAB Cc1ncsc1CN1CC[C@H]2C(=O)N(c3cccnc3)CCO[C@H]2C1 96209785 JMERWKKCLHAUEL-CVEARBPZSA-N 358.467 2.100 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccc(Br)c1 50197870 BRXFHOUCIUHTHT-UHFFFAOYSA-N 358.261 2.278 0 40 FEAB Cc1cncc(C(=O)N2CCc3nc(NC(C)C)nc(N(C)C)c3C2)c1 96254048 WGHQZTQXSKKTNX-UHFFFAOYSA-N 354.458 2.265 0 40 FEAB CC(C)CC(=O)N1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 96254305 MLQFCWVWVFBIDA-UHFFFAOYSA-N 361.490 2.064 0 40 FEAB O=C(NCc1nccc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 96120870 WDLZABHUNCHXAO-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)n[nH]2)cc1OC 95472704 KOAFUAAQOXRXPN-UHFFFAOYSA-N 352.394 2.461 0 40 FEAB O=C(COCC[C@@H]1CCOC2(C1)CN(Cc1cccnc1)C2)N1CCCC1 247742078 OPXLGNHGCMFJHK-GOSISDBHSA-N 373.497 2.092 0 40 FEAB Cn1nccc1C(=O)N1CC2(C[C@H](CCOCc3ccncc3)CCO2)C1 248019591 HLRRRRVPLPGCRB-MRXNPFEDSA-N 370.453 2.043 0 40 FEAB CN(C)C[C@H]1CCC2(CN(S(=O)(=O)c3ccccc3Cl)C2)OC1 248106281 ITCPGNQQJFGPDW-CYBMUJFWSA-N 358.891 2.071 0 40 FEAB O=C(Cc1ccsc1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247854483 KAMBAYQIBWRBBI-HNNXBMFYSA-N 368.466 2.048 0 40 FEAB CN1CCN(C(=O)c2cncnc2)C[C@H](Cc2cccc3cccnc23)C1 257256812 KNABAFVJTSILPN-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB O=C(Cn1c2c(c3cc(F)ccc31)CCCC2)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257332386 XXCGVRJCCZIGNW-XFQXTVEOSA-N 360.429 2.050 0 40 FEAB Cc1cc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)nc(C)n1 257303688 SIGUKIRYFRPJSO-SFHVURJKSA-N 352.442 2.326 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257273150 NFLUIOSOVRPQKP-HNNXBMFYSA-N 359.401 2.247 0 40 FEAB CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 64119055 OPHXHMCQRYUNBX-GFCCVEGCSA-N 368.389 2.485 0 40 FEAB CNc1nc([C@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12 257314184 UVRAKBQPEBWJDN-LJQANCHMSA-N 350.426 2.360 0 40 FEAB CCc1nc(C)cc(N2C[C@@H]3CN(Cc4ccn(C)c(=O)c4)C[C@]3(C)C2)n1 1615831933 QIHMBEWUQYVZBB-LAUBAEHRSA-N 367.497 2.004 0 40 FEAB Cc1cc(C(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)co2)no1 90583033 DCTMTAOKXVVMTP-UHFFFAOYSA-N 370.321 2.247 0 40 FEAB Cc1nn(C)c2ncnc(NCCn3nc(-c4ccccc4)ccc3=O)c12 72476887 KBABCJAKBGHBOA-UHFFFAOYSA-N 361.409 2.008 0 40 FEAB O=C(NCCn1ccnc1-c1ncccn1)c1nc2ccccc2s1 96099064 RISXEOJJSUNEDI-UHFFFAOYSA-N 350.407 2.380 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccnc3ccccc13)[C@@H](C)C2 585098269 STCKHDWBICFCOI-ZDUSSCGKSA-N 351.410 2.060 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](O)C2)C3)cc1 585105159 ZTMWIZONVWKJIH-VQTJNVASSA-N 372.509 2.463 0 40 FEAB CO[C@H]1CN(C(=O)c2cc(C)nc(O)n2)CC[C@@H]1Cc1ccc(F)cc1 585278883 IFDIVELMOAYZEK-PBHICJAKSA-N 359.401 2.350 0 40 FEAB Cc1ccccc1C(=O)N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1 685942261 JGYMARPKHSMBRG-LXZKKBNFSA-N 354.410 2.298 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(I)c1 49452296 LBYFPNSATGJQLQ-VHSXEESVSA-N 374.222 2.324 0 40 FEAB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 5866206 YRYCOVYDMKNSOG-UKTHLTGXSA-N 355.281 2.400 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2cccnc21 12117491 KQBWMRVNXUYTEV-UHFFFAOYSA-N 368.393 2.364 0 40 FEAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(C)=O 12380027 ZEGIWLHZEZJMJU-YVLHZVERSA-N 366.398 2.391 0 40 FEAB CCn1c(S)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 13534773 AEALVECHDSLFAH-UHFFFAOYSA-N 352.485 2.428 0 40 FEAB COc1c(C(=O)Nc2nnn(C)n2)cc2ccccc2c1Br 14258558 CHJNANSLBVSHHK-UHFFFAOYSA-N 362.187 2.387 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 14663561 CBDQQAHZKANDMG-GASCZTMLSA-N 370.405 2.061 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(C[C@H]3CC=CCC3)C2)c2nccnc21 19021546 HORUMCVFBISZSI-DLBZAZTESA-N 368.485 2.108 0 40 FEAB COc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1 19240588 UURDELLDFCUTPC-CYGHRXIMSA-N 355.438 2.464 0 40 FEAB Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)cn1 19290662 ZBMMVBJHYHFCOK-UHFFFAOYSA-N 350.470 2.290 0 40 FEAB CCn1nc(C)c(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CO2)c1C 225791418 XBVHZBILCWPBFH-KRWDZBQOSA-N 363.483 2.282 0 40 FEAB O=C(Cc1ccccc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583270 UZITXCJQCUDYTM-UHFFFAOYSA-N 365.481 2.358 0 40 FEAB CO[C@H](c1noc(COC2CN(C(C)=O)C2)n1)c1ccccc1Cl 643958667 OYAWOYLMXYAZRF-HNNXBMFYSA-N 351.790 2.206 0 40 FEAB O=C1[C@@H]2CN(c3ncnc(C4CC4)c3F)C[C@H]2C(=O)N1c1ccccc1 1888854231 MNTDBLDWZBSNBL-ZIAGYGMSSA-N 352.369 2.119 0 40 FEAB COc1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2=O)ccn1 1889101155 DGAJHLVNDHRACJ-UHFFFAOYSA-N 352.316 2.357 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccccc1Br 23886239 GXGAPQYUDSBPFK-LBPRGKRZSA-N 361.261 2.202 0 40 FEAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(Cc1cn[nH]c1)CC2 1203090399 LFQAYYLHLSZUIW-UHFFFAOYSA-N 367.478 2.397 0 40 FEAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)nc(=O)n2c1 4499836 BOCSPYFUBPRGRD-UHFFFAOYSA-N 362.361 2.407 0 40 FEAB CCOc1c(CC)cnc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 9571779 MSIHYGDEUUXPLT-UHFFFAOYSA-N 357.385 2.244 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40005740 GIEFWYMBMGUSCZ-NSHDSACASA-N 351.346 2.436 0 40 FEAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 32869262 VYUBWWMDDHAIOD-KRWDZBQOSA-N 350.374 2.299 0 40 FEAB COc1ccc([C@H](CNCC(=O)N2CCc3ccccc32)N(C)C)cc1 22038336 YSGAQWPOUMCEIO-FQEVSTJZSA-N 353.466 2.477 0 40 FEAB Cn1c(S)nc2cc(C(=O)NCCOc3cccc(F)c3)ccc2c1=O 103156276 HVCWDAQPVMRDPZ-UHFFFAOYSA-N 373.409 2.170 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1F)OCc1nnc(-c2ccccc2)o1 22438590 NAXVXGZXHDIJBB-UHFFFAOYSA-N 373.315 2.488 0 40 FEAB COc1cc(CC(=O)Nc2cccnc2-n2cccn2)cc(OC)c1OC 23170680 OKELHNAQDBZXDL-UHFFFAOYSA-N 368.393 2.474 0 40 FEAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 3016005 TYBTUKRHWZNMMX-UHFFFAOYSA-N 367.453 2.321 0 40 FEAB C[C@H]1CN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)C[C@H](C)O1 1105196 ZPKFRJKNKHKHAV-GJZGRUSLSA-N 362.495 2.473 0 40 FEAB COC(=O)CC1(NCC(=O)Nc2cccc(Cl)c2C)CCOCC1 79109472 BJMNVRYXPNGIGQ-UHFFFAOYSA-N 354.834 2.289 0 40 FEAB CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)C(C)C 79814638 HMJMJAMUUPMEFC-MRXNPFEDSA-N 358.446 2.003 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 2752673 SHFFDPCSBXJBFC-BTXSVYSASA-N 374.462 2.433 0 40 FEAB Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccc(F)cc1 6969536 AGJUDHZIHKAEOC-AWEZNQCLSA-N 350.419 2.102 0 40 FEAB COC(=O)[C@]1(SC)[C@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2[C@@]3(SC)C(=O)OC 101037119 UJCMCFULJLVVQQ-CEYCLLSQSA-N 366.504 2.400 0 40 FEAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCN(c2ccccc2)CC1 12538068 NTWYFUJCHMBIPK-AWEZNQCLSA-N 365.437 2.005 0 40 FEAB CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2F)C1=O 1406510 XRWBYGPMIPXHBK-IBGZPJMESA-N 354.337 2.392 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)cc2F)CC1 47967527 REIBUDGQAKVLIW-UHFFFAOYSA-N 361.414 2.291 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccsc1 25329716 VRETXSKIEVXHMY-HNNXBMFYSA-N 352.481 2.184 0 40 FEAB COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102593337 RLFDPEJNHPEXOW-DQBAKGKISA-N 366.417 2.077 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2c(F)cccc2Cl)NC(=O)NC1 25788982 LLSLNCHIJJWFTE-UHFFFAOYSA-N 355.797 2.041 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCn3c2nc2ccccc23)c1 26817921 AXBNCAXPHOOQKF-UHFFFAOYSA-N 357.391 2.032 0 40 FEAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2[nH]nnc2c1 12604061 RJJMUTHZKJMEIA-UHFFFAOYSA-N 364.409 2.384 0 40 FEAB C[C@@H]1CC(C)(C)N(C(=O)CNC(=S)N2CCN(C)CC2)c2ccccc21 9939204 OJDRMJCPFOQCFQ-OAHLLOKOSA-N 374.554 2.427 0 40 FEAB CS(=O)(=O)NCCCNC(=O)Nc1ccccc1N1CCCCCC1 57940712 FGPTVLYCCNJECT-UHFFFAOYSA-N 368.503 2.128 0 40 FEAB CSc1ncc(Cl)c(C(=O)NCCNC(=O)c2cccs2)n1 48285995 RUESVGBXEFKDHY-UHFFFAOYSA-N 356.860 2.073 0 40 FEAB Cc1nc2sc(C(=O)OCC(=O)NC3CCCCC3)c(C)c2c(=O)[nH]1 10146894 SWURLHGTRUCVMD-UHFFFAOYSA-N 363.439 2.207 0 40 FEAB CCc1n[nH]c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 12777439 JIWKJOIVJDOGNY-CQSZACIVSA-N 359.499 2.365 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@H]1C[C@@H]2CC[C@@H]1C2 102795328 OGJORKYMDLSCNA-REWJHTLYSA-N 356.513 2.310 0 40 FEAB O=C(NCc1ccc(OCC2CC2)nc1)[C@@H]1CCCN(c2ncccn2)C1 58193094 MHZQXTQTKLFPKU-QGZVFWFLSA-N 367.453 2.193 0 40 FEAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CC)[C@@]1(C)Oc1ccc(OC)cc12 104785024 JBSLWVQWZUIFCE-KEYYUXOJSA-N 350.440 2.234 0 40 FEAB COCCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12786524 SRMHIDMOGQBRQP-UHFFFAOYSA-N 358.360 2.320 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 3376668 KVIPXCHLLRZOJD-UHFFFAOYSA-N 354.406 2.201 0 40 FEAB CCCCn1nnnc1CN1Cc2ccccc2C[C@@H]1c1nnc(C)o1 58430131 NRHNZYNTOYSAHC-MRXNPFEDSA-N 353.430 2.464 0 40 FEAB CC(=O)NCC1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)CC1 48302406 IGUFEFNAEWGRLH-LJQANCHMSA-N 373.497 2.124 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)NCc1ccc2c(c1)OCO2 3511695 ZDTVEGWPZQXQOY-SNVBAGLBSA-N 362.769 2.325 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccc(C)cc3)nc2c1 71327515 JVXKMHZSAJSIDH-UHFFFAOYSA-N 355.419 2.498 0 40 FEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 63843628 KYJQQZVZCYNIHJ-BIZURNDZSA-N 350.802 2.194 0 40 FEAB CN(CCOc1ccccc1F)C(=O)Cn1ncc(=O)c2ccccc21 39998490 SWAPTMHGLWUPJO-UHFFFAOYSA-N 355.369 2.073 0 40 FEAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12 5206252 AJKKVGFLGBDMOQ-UHFFFAOYSA-N 369.421 2.446 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC(N)=O 4400219 SWLOOAVCENHYBA-OAHLLOKOSA-N 359.382 2.268 0 40 FEAB COc1ccc(OC)c(NC(=O)Cn2nc3c(cc2=O)CCCCC3)c1 61718801 OZNMATPWZKCJHG-UHFFFAOYSA-N 357.410 2.168 0 40 FEAB CN(C)C(=O)CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 14245281 KLTPCPLUNBLDMA-UHFFFAOYSA-N 365.477 2.129 0 40 FEAB COC(=O)Cn1cnc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O 9422120 CHRIVGLHNSZLQG-UHFFFAOYSA-N 373.434 2.339 0 40 FEAB O=C(NCc1nnc2n1CCC2)N[C@H](Cc1ccccc1)C(F)(F)F 95419093 NDCCFALTJOYMQU-GFCCVEGCSA-N 353.348 2.197 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 71768170 AYXZRAJJDIRJCG-UHFFFAOYSA-N 354.454 2.114 0 40 FEAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 9515906 OPNDOLGPCBESKF-LLVKDONJSA-N 351.255 2.235 0 40 FEAB CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)OC)CC3)CC2=O)cc1 8262299 RRQJQQUOKQZGFF-INIZCTEOSA-N 358.438 2.014 0 40 FEAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc(CN2C(=O)CSC2=O)c1 70014756 STINEQGIKPJKKJ-AWEZNQCLSA-N 373.478 2.096 0 40 FEAB O=C(CCc1nc(-c2ccncc2)no1)NCc1ccc2c(c1)OCO2 8708649 KSHODTGPBMIGQW-UHFFFAOYSA-N 352.350 2.109 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1O 8726114 RWAQZLWQJIYEGR-LBPRGKRZSA-N 357.362 2.291 0 40 FEAB C[C@H]1CCCN(C[C@@H](C)NC(=O)NCc2ccnc(-n3cccn3)c2)C1 98030390 YCHNKCQNPQJYSD-JKSUJKDBSA-N 356.474 2.187 0 40 FEAB C[C@H](Nc1ccn(CC(N)=O)n1)C(=O)Nc1cccc(Cl)c1Cl 95945100 GCNLCIZHIGWCOK-QMMMGPOBSA-N 356.213 2.114 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCOCC1 23181800 KMYYBAQGVMPUSS-PBHICJAKSA-N 366.508 2.488 0 40 FEAB Cc1cc(CN2Cc3cncn3[C@H](COCc3ccccn3)C2)n(C)n1 306141334 VSFNKHFNSHDBTL-IBGZPJMESA-N 352.442 2.094 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 408549138 PRQNRKJFBCFALH-GZTJUZNOSA-N 366.373 2.331 0 40 FEAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23CN(Cc2ccco2)CCO3)cn1 306141466 VWXMRALJQUVWAV-UYAOXDASSA-N 370.453 2.322 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 409063523 BUXIKPBXVZMRTO-OPYOOOJUSA-N 365.363 2.022 0 40 FEAB CCN(c1ccccc1)c1noc(C2CCC3(CC2)NC(=O)NC3=O)n1 528220440 CIDBEGPTBFVKOP-UHFFFAOYSA-N 355.398 2.463 0 40 FEAB CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 408620093 JYECLGGRUHFQRB-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NC2CCCCCC2)c1 217451037 XPOVCRDPEPRHSR-UHFFFAOYSA-N 370.471 2.180 0 40 FEAB Cc1c(CC(=O)NC[C@H]2CC[C@@H](C(=O)O)CC2)c(=O)oc2cc(O)ccc12 217456226 HYVLYSMWAYMBEH-JOCQHMNTSA-N 373.405 2.357 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222423453 VGZWJHVJWKHDOQ-HDEZJCGLSA-N 354.406 2.384 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1 48020462 ZLBBBSPZBFGIIN-GJZGRUSLSA-N 363.458 2.484 0 40 FEAB CCN(CC)C(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101024 SXPYVNONYVBLFO-ZDUSSCGKSA-N 359.426 2.357 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)C(C)(C)C 96520198 DFXHIKFYLOSYII-XPUUQOCRSA-N 354.637 2.156 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4[C@@H]5CCCC[C@@H]45)C3)ncc2C1 247951386 QQQRHZSGJRICLF-DJIMGWMZSA-N 368.481 2.133 0 40 FEAB O=C(c1cc(-n2ccnc2)ccn1)N1CCN(CCc2ccccc2)CC1 85472863 KYSPAHAPWSXEOU-UHFFFAOYSA-N 361.449 2.268 0 40 FEAB O=C(O)CCNC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1 256028232 ZKVVJJMJCFCHPV-KRWDZBQOSA-N 369.373 2.111 0 40 FEAB COc1ncccc1C(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257289038 PWSJDCIAZYIEFW-AWEZNQCLSA-N 353.382 2.206 0 40 FEAB Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCOc4ccccc43)CCO2)cn1 267550137 CBDAJLWCTKFIGK-RDTXWAMCSA-N 356.426 2.069 0 40 FEAB C[C@@H](NC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1)c1ccccc1 283116769 CUCRJXHBILEFKH-CYBMUJFWSA-N 371.403 2.254 0 40 FEAB CC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)C(=O)NCc1cccs1 648555568 PRTUPKXOXSGCOG-IFIJOSMWSA-N 374.462 2.488 0 40 FEAB Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1[nH]nc2c1c(-c1ccccc1)nn2C 668823193 FOCDZRXZSLFYLX-CHWSQXEVSA-N 361.409 2.439 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCN(C(=O)c4cccs4)C3)ccnc12 585182406 KJHGNABRLINTTJ-LBPRGKRZSA-N 369.450 2.122 0 40 FEAB c1ccc(CN2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nc1 1775995044 QQFOLAAMNFUJBQ-UHFFFAOYSA-N 363.469 2.499 0 40 FEAB Cc1ccncc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1188232993 MFNIOGZWNDFTBT-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB COc1cc(C)c(S(=O)(=O)N(C)C2CCC(CO)CC2)cc1OC 84077426 ALIQIFCAANAIQG-UHFFFAOYSA-N 357.472 2.184 0 40 FEAB Cc1ccn2ncc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)c2c1 77926633 ICCPRROUFMIZJC-ZDUSSCGKSA-N 355.423 2.343 0 40 FEAB O=C([C@@H]1CCCS1(=O)=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 653509643 QAKHLFFHXJBARL-KRWDZBQOSA-N 365.451 2.264 0 40 FEAB CCO[C@@H]1C[C@@](O)(CNc2ncc(C(=O)N(C)C)cc2Cl)C1(C)C 682722602 FZKWOMPYCKBTLD-CXAGYDPISA-N 355.866 2.415 0 40 FEAB O=C(NC1CC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772595826 MWNOPGGOLXYKOY-HBFSDRIKSA-N 356.466 2.373 0 40 FEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)N3CCCC3)C2)on1 12118369 RBCALXXSVZGVLR-OAHLLOKOSA-N 355.442 2.242 0 40 FEAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2S(=O)(=O)N2CCCC2)cc1 12328746 OJRGDWGEMBDFRA-HDMKZQKVSA-N 366.483 2.268 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)c1 14733917 DPZGNBLMPXHPPO-ZDUSSCGKSA-N 351.366 2.271 0 40 FEAB COc1ncc([C@]2(O)CC[C@H]3CN(C[C@@H]4CC=CCC4)C[C@H]32)c(OC)n1 19594858 ZNXFENIQWHURQG-DOHHPOSVSA-N 359.470 2.380 0 40 FEAB COc1ccccc1N1CCN(Cc2cccnc2N(C)C)[C@H](C)C1=O 19715727 YDWVOIREKMFIRD-OAHLLOKOSA-N 354.454 2.394 0 40 FEAB O=C(Nc1cccn(CC(F)(F)F)c1=O)N[C@@H]1c2ccccc2C[C@H]1O 162337824 KQJBQLBZZZIDCD-ZIAGYGMSSA-N 367.327 2.190 0 40 FEAB O=C(O)[C@H]1CCN(C(=O)CCOc2ccc(Br)cc2F)C1 583652282 PDUYBPMLECSNBT-VIFPVBQESA-N 360.179 2.290 0 40 FEAB FC(F)(F)c1cc(N2CCN(Cc3ncon3)CC2)nc(C2CC2)n1 1888844059 FNYRSQCFRHHFGT-UHFFFAOYSA-N 354.336 2.078 0 40 FEAB CCn1nnnc1SCC(=O)c1ccc(I)cc1 14095171 WRDKYLSGPXDOLT-UHFFFAOYSA-N 374.207 2.273 0 40 FEAB Cc1ccccc1NC(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 2087061342 MJYDSPNKZBFYNY-GASCZTMLSA-N 363.425 2.033 0 40 FEAB O=C(Cc1cccs1)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121032 OWESDXWPBJLADN-LBPRGKRZSA-N 360.391 2.161 0 40 FEAB Cn1ccc(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1=O 1775978548 TXEXXHKBVBHRFL-UHFFFAOYSA-N 367.478 2.226 0 40 FEAB O=C(COc1coc(C(=O)Nc2ccncc2)cc1=O)Nc1ccccc1 23141405 PKDQRPPDSMSXFY-UHFFFAOYSA-N 365.345 2.305 0 40 FEAB Cc1cc(=O)c(C(=O)NCCCn2cccn2)nn1-c1ccccc1Cl 30169656 ICYYQZGGHSMINR-UHFFFAOYSA-N 371.828 2.211 0 40 FEAB Cc1ccc(NC(=O)c2ccoc2C)cc1S(=O)(=O)N1CCOCC1 20011530 YUGCYRZCVPAVJW-UHFFFAOYSA-N 364.423 2.170 0 40 FEAB COc1c(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)cc2c(c1OC)OCO2 100257070 ZFJPELRJTWSFRX-VZUCSPMQSA-N 357.318 2.098 0 40 FEAB CC(=O)c1ccccc1NC(=O)CCn1nc(O)c2ccccc2c1=O 32738049 XULNHZRSODTRSF-UHFFFAOYSA-N 351.362 2.334 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1 32816997 MLNLUIJVPASQHY-OAHLLOKOSA-N 352.390 2.127 0 40 FEAB NC(=O)C1CCN(C(=O)c2nccnc2-c2nc3ccccc3s2)CC1 32819396 YLTVMPSGKKQQJR-UHFFFAOYSA-N 367.434 2.091 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C1 102705179 YVPMPGVUUVTGBF-SDDRHHMPSA-N 361.467 2.382 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccnn1C(C)C 104371584 JHGZSRVYLZMRPB-LFIBNONCSA-N 370.409 2.123 0 40 FEAB O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccc(Cl)cc1 882266 AUTSLYKJGIFYFX-UHFFFAOYSA-N 359.765 2.492 0 40 FEAB CN(CC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C)S(C)(=O)=O 79022500 ZZENCEXFTBRWDV-INIZCTEOSA-N 352.500 2.485 0 40 FEAB CN(C)C(=O)c1cccc(S(=O)(=O)N2CCOc3cccc(F)c32)c1 79103862 SKLPNTKRNXYXOQ-UHFFFAOYSA-N 364.398 2.115 0 40 FEAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 12520955 DXQSURSMEGAVFY-UHFFFAOYSA-N 362.379 2.137 0 40 FEAB COC(=O)c1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 1134947 PBYDWJYYODZWTN-UKTHLTGXSA-N 369.427 2.214 0 40 FEAB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCS(=O)(=O)O 6884329 NOFQQKCTJRWUSQ-JXMROGBWSA-N 363.869 2.429 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(F)cc2)c1 24768477 LJJPWTXCMIKLIN-UHFFFAOYSA-N 350.415 2.314 0 40 FEAB O=c1c2ccccc2nnn1Cc1cc2c(cc1Br)OCCO2 7779258 FHBFVYMQGKQCRY-UHFFFAOYSA-N 374.194 2.374 0 40 FEAB COC(=O)c1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)s1 24894597 SGVYDSJHYVZUPP-UHFFFAOYSA-N 354.409 2.159 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3cccnc3)C2)nc1 56358959 LTTXBPFDGIIPCN-MRXNPFEDSA-N 353.426 2.345 0 40 FEAB O=C(Nc1cccc2c1CCCC2)C1=CC=CN2CCS(=O)(=O)N=C12 9609543 FXQQCBUUTBRSBH-UHFFFAOYSA-N 357.435 2.002 0 40 FEAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051286 DULRQUCFYJFBFL-LBPRGKRZSA-N 369.464 2.138 0 40 FEAB COc1ccccc1CN1CN(n2cnnc2)c2nc3ccccc3n2C1 20637312 LUSZJIRORCLKSP-UHFFFAOYSA-N 361.409 2.337 0 40 FEAB CN1CCc2nc(NC(=O)Cc3cnn(-c4ccccc4)c3)sc2C1 27989095 YJVMGVPZDYHDKT-UHFFFAOYSA-N 353.451 2.498 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCc3ccccc32)cc1 45041552 NSGGZBYDCNRDSL-INIZCTEOSA-N 373.478 2.253 0 40 FEAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1 72301373 IOEAHMJSYBIAKG-OAHLLOKOSA-N 362.426 2.311 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N/N=c2/sc3ccccc3n2C)c1 3320662 IHITXJQUWVHWGQ-WUKNDPDISA-N 361.448 2.237 0 40 FEAB O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)nc1 11129211 AKRGNEGXVOZFCU-UHFFFAOYSA-N 361.442 2.466 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nnn(-c2ccccc2Cl)c1=O 11100937 JOTNAZXIHLZZKD-LBPRGKRZSA-N 369.812 2.060 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 36646221 LIQLYMNAOKQYLH-UHFFFAOYSA-N 374.470 2.393 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 37185720 BXWDXGGGNJPHDJ-OLZOCXBDSA-N 369.387 2.444 0 40 FEAB Cc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 3463801 ZALHYLWGSRWMFS-NRFANRHFSA-N 363.417 2.005 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(F)c(F)c1 3563570 GMCXYOZGOZCLSL-IBGZPJMESA-N 371.343 2.297 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC 113946251 UDPAQSOURUVSJJ-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB Cc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 4279271 CJWNRZVRQCFWAU-JGFGOLAASA-N 363.410 2.330 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(C)(C)C 9313681 SDVTXOJSKFEFSW-UHFFFAOYSA-N 367.515 2.496 0 40 FEAB C[C@@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N1CCNC1=O 9478469 UDPQBFSFABFRHV-MRVPVSSYSA-N 362.329 2.396 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6522351 VOZRRPISIXYRAI-ZBFHGGJFSA-N 371.437 2.408 0 40 FEAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCC(=O)N(C)C)cc12 7243322 KIVDXOSFKDDBKX-UHFFFAOYSA-N 356.451 2.273 0 40 FEAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N(C)C1CCCCC1 7779137 QVWICYKGRAMFFJ-MRVPVSSYSA-N 351.398 2.282 0 40 FEAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(S(C)(=O)=O)cc1 16108709 DJBDSOAFBQLKOP-LLVKDONJSA-N 363.464 2.219 0 40 FEAB COC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1ccccn1)C(F)(F)F 19944082 VLEROJCNYZCJJU-HNNXBMFYSA-N 371.290 2.494 0 40 FEAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 16553446 MATJLDANUHDGTA-JTQLQIEISA-N 374.422 2.024 0 40 FEAB CCn1cc(CN2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1 306136958 QHKXQUCQWPEIFD-IBGZPJMESA-N 352.442 2.096 0 40 FEAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc1 8346029 PUGATSHYKSIKOV-SFHVURJKSA-N 367.380 2.485 0 40 FEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCOC)CC2)cc1 72088205 MHPUHGRNWJCHQP-OAHLLOKOSA-N 368.499 2.070 0 40 FEAB COc1ccc(Cl)cc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 8708843 QOKYCWHKLMKIRR-UHFFFAOYSA-N 365.817 2.494 0 40 FEAB COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 55065518 GKARZXJQIAYBQK-SFHVURJKSA-N 373.453 2.399 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)c1 306135101 OHYSGRFLDFDZPS-GOSISDBHSA-N 353.422 2.233 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 36390288 NXCHVFFVTCLFRT-KGLIPLIRSA-N 354.472 2.014 0 40 FEAB Cc1ccc(C)c([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 30763433 ZNYSYCUQQPSPIA-AWEZNQCLSA-N 372.446 2.325 0 40 FEAB Cc1cc(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)cc(Br)c1F 408492422 JVOGGXDQCNVYHB-SSDOTTSWSA-N 372.162 2.357 0 40 FEAB Cc1cocc1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)c2ccccc2)C[C@H]1O 1025117342 XOFNXCGIDCPWIY-MORSLUCNSA-N 356.422 2.083 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1F 225105307 YOJPRKPIVZOBFW-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB COC(=O)CSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 224727150 FUQWVQVCLWQEIL-UHFFFAOYSA-N 369.424 2.073 0 40 FEAB Cc1ccc(OCCN(C)C(=O)Cn2ncc(=O)c3ccccc32)cc1 40001086 ITNKWVGFDQXWCV-UHFFFAOYSA-N 351.406 2.242 0 40 FEAB CC(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225586695 KSSBIAKWWXPQPY-UHFFFAOYSA-N 360.848 2.131 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccncc4)C3)OCC2=O)cc1 96240096 FMBKTJFRNVCNSZ-NRFANRHFSA-N 367.449 2.024 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4ccco4)C3)OCC2=O)s1 96051451 JLTVNJZSFGTCAP-SFHVURJKSA-N 362.451 2.284 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)c(C)o1 96230273 BYRLJLKHCPNHTK-UHFFFAOYSA-N 361.486 2.301 0 40 FEAB COc1ncccc1C(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 247821001 DAGBMGNOTZTUCT-MRXNPFEDSA-N 369.421 2.076 0 40 FEAB O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 247852487 JIWGNGLRYFWMNM-GOSISDBHSA-N 353.422 2.315 0 40 FEAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc1 257277288 NXFRQODQGFJZIK-HNNXBMFYSA-N 364.471 2.339 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1cccc(OC)c1 257330620 XPCZSSLRCLIZNU-QUCCMNQESA-N 373.497 2.159 0 40 FEAB Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 257219590 DHILPYLQIGGKFE-KRWDZBQOSA-N 367.409 2.301 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cncc(-c2cncnc2)c1 257204508 AUYCZVUFYMDFJO-KRWDZBQOSA-N 362.389 2.451 0 40 FEAB CN1CCN(CC2CN(C(=O)c3ccc(Nc4cccnc4)cc3)C2)CC1 615279349 OTKHQEXBBLISBD-UHFFFAOYSA-N 365.481 2.145 0 40 FEAB COc1ccc(COCC(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cn1 627547458 DQNVYSJOUZXKLC-HDICACEKSA-N 367.449 2.202 0 40 FEAB C[C@@H]1COCCN1CCN1C(=O)N[C@H](c2cccc3ccccc23)C1=O 1262199574 SNYLHDJDNXNSFZ-RDTXWAMCSA-N 353.422 2.153 0 40 FEAB O=C(c1cnc2ccccn12)N1Cc2ccnn2[C@H](COc2ccccn2)C1 575403565 HARYYDGQNKFCCL-INIZCTEOSA-N 374.404 2.202 0 40 FEAB Cn1ccnc1CN1CC[C@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 585177162 KCSZPUFMOVRWCR-ZDUSSCGKSA-N 353.405 2.477 0 40 FEAB Cn1cc(N2C[C@@]3(CCCN(CCc4ccccc4)C3)C2=O)ccc1=O 585099461 LMBBVDVUXWUPSV-NRFANRHFSA-N 351.450 2.057 0 40 FEAB OCCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 585273575 WTHJXIZZULTIDM-NRFANRHFSA-N 357.450 2.464 0 40 FEAB CCc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)CCc3ccccc3C)C2)n[nH]1 685942658 KTFVEJIRWLPIIQ-GVDBMIGSSA-N 356.470 2.279 0 40 FEAB O=C(O)[C@H]1CC[C@H](C(=O)NCC2CC(F)(F)C2)N1Cc1ccccc1 630648020 CVMXBFGUEOWMOY-HUUCEWRRSA-N 352.381 2.266 0 40 FEAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)N3CCCCC3)c2=O)n1 12117404 YTGNFXDNPHNCEU-UHFFFAOYSA-N 367.409 2.010 0 40 FEAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc2c(c1)OCCO2 12142024 LWOMRVRWAPMHJH-LBPRGKRZSA-N 354.362 2.184 0 40 FEAB O=C(c1ccccc1F)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 12142832 LMPLFMGXUHCLGD-UHFFFAOYSA-N 367.384 2.045 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)o1 12146788 OYUBAXRJDHUDQO-UHFFFAOYSA-N 356.357 2.480 0 40 FEAB O=C(CNc1ccc(Cl)cc1)NN1C(=O)NC2(CCCCC2)C1=O 16313212 GYAIDYOANOSOGO-UHFFFAOYSA-N 350.806 2.038 0 40 FEAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccnn1C 19017742 RJTNUDJCXFCQMR-ZHALLVOQSA-N 370.428 2.178 0 40 FEAB CN1CCC(c2nnc3n2CCN(C(=O)CCc2ccccc2)CC3)CC1 19708891 UOFQFGIQKCOBBY-UHFFFAOYSA-N 367.497 2.105 0 40 FEAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccncc1 19937590 ZIQZDGUVBDLBNF-UHFFFAOYSA-N 354.797 2.344 0 40 FEAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)S[C@H](C)C2 4077214 TZHNNEUPLVCPSF-SECBINFHSA-N 366.468 2.327 0 40 FEAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850031 VROYZWMZUAQFBY-OKILXGFUSA-N 353.401 2.097 0 40 FEAB O=C1[C@H]2CN(c3ncnc(C4CC4)c3F)C[C@@H]2C(=O)N1c1ccccc1 1888854229 MNTDBLDWZBSNBL-KBPBESRZSA-N 352.369 2.119 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cc5ccccc5)C[C@H]4C3)n1)CCC2 1888885464 KIMOPTUFXHIWPK-HDICACEKSA-N 362.477 2.411 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 2037985398 IQAALAHHSUEFTB-FQEVSTJZSA-N 362.445 2.387 0 40 FEAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@]1(C)CC=CCC1)CC2 1614936574 CKGNLDKWVDBKLE-FQEVSTJZSA-N 358.486 2.172 0 40 FEAB COC1(CC(=O)N2CC[C@@]3(CCc4nc(C)cc(=O)n4CC3)C2)CCC1 1565555116 SKOSYAHHSJXQOZ-LJQANCHMSA-N 359.470 2.066 0 40 FEAB COc1cccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1 5240518 DIDCXKYHMYZXEE-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB COc1cccc(NC(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 11694484 GQOVIOVSGKBRSJ-UHFFFAOYSA-N 354.366 2.334 0 40 FEAB Cc1ncnc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)c1F 1775976006 SXLAMCUZLWFAON-UHFFFAOYSA-N 366.400 2.072 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)Cn2ccc3ccccc32)C1 3999815 IFMBCKPKASNHBO-UHOSZYNNSA-N 363.461 2.283 0 40 FEAB biogenic Cc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 40012896 IPGNYTQPCVARPW-FQEVSTJZSA-N 364.405 2.112 0 40 FEAB CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C1 103477610 SVHVJXOOEUNPDJ-GJZGRUSLSA-N 359.478 2.282 0 40 FEAB Cc1cc(N)nc(SCC(=O)NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 103417144 XOJDWBCLVJLPMZ-CYDGBPFRSA-N 363.487 2.110 0 40 FEAB CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC(=O)O 12437263 QICMKDHDUXOYJU-FOWTUZBSSA-N 368.389 2.057 0 40 FEAB COCCOCCCNC(=O)c1ccccc1SCc1noc(C)n1 47630846 KBESHISNGROXDX-UHFFFAOYSA-N 365.455 2.453 0 40 FEAB CCc1ccccc1NC1=NN/C(=c2\ccc3c(c2)[C@@H](C)C(=O)N=3)CS1 104980775 LOCFALXTPCGOIH-FNFFHQHPSA-N 364.474 2.340 0 40 FEAB COC(=O)c1ccc(COC(=O)CCS(=O)(=O)c2ccc(C)cc2)o1 4285420 WWENMGLPHQMZMQ-UHFFFAOYSA-N 366.391 2.282 0 40 FEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 4308617 ZYAWWPOHXFCIAU-KRWDZBQOSA-N 363.320 2.266 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 6742362 XULZDKXICHYGDJ-FZCLSBEQSA-N 360.429 2.217 0 40 FEAB COC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10362227 BZFDHAHWCBFRSR-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC(Cc2ccccc2)CC1 103066262 AEHCDOSRWMLSRQ-RTBURBONSA-N 366.461 2.419 0 40 FEAB Cc1cccnc1CN1C[C@H](C(=O)NCc2cccs2)[C@H]2OCC[C@H]21 108536145 CGLZIUMXWBVVAT-CGTJXYLNSA-N 357.479 2.357 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)C1 58176716 VJLQDEYWLKFFEH-GJZGRUSLSA-N 367.519 2.118 0 40 FEAB Cc1ccc(-n2nnnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 58209768 HOXFFSVRNPYDQD-OAHLLOKOSA-N 356.474 2.348 0 40 FEAB O=C(CNc1nccc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1 58200842 XUJVWIPRAITRPT-UHFFFAOYSA-N 365.359 2.256 0 40 FEAB O=C(c1ccoc1)N1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1 45086348 BUVMSHYKDVEEOM-UHFFFAOYSA-N 359.470 2.219 0 40 FEAB O=C(CN1CCCCCCC1=O)NCc1ccnc(OCC(F)(F)F)c1 48221602 DERKFXFLNBIHOF-UHFFFAOYSA-N 373.375 2.432 0 40 FEAB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@@H](O)c1ccccc1 12762122 UHOHWZIYMXJVIX-QGZVFWFLSA-N 350.353 2.455 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=S)NC2CCCCC2)c1 45708799 FAQFUXYMKCFIAO-UHFFFAOYSA-N 369.556 2.379 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2622096 HBEPZSVFWDPFTH-NRFANRHFSA-N 363.417 2.433 0 40 FEAB NC(=O)C1CCN(C(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)CC1 29980310 MDWSQMNLBLWYAB-UHFFFAOYSA-N 363.767 2.495 0 40 FEAB C[C@@H](SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)O 12814123 SKYOBMGKUYKJRS-GFCCVEGCSA-N 350.440 2.070 0 40 FEAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9049476 UNEBMNNRGKUCLJ-HUUCEWRRSA-N 368.499 2.401 0 40 FEAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NCCc1ccccc1F 9254017 SQBJWIYFOXLOQF-UHFFFAOYSA-N 371.437 2.445 0 40 FEAB O=C(NCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc2ccccc2c1 49992554 SNXZPASXWVFKMK-LJQANCHMSA-N 351.450 2.266 0 40 FEAB COc1ccccc1C1=NN(c2cc(C)nc(N)n2)[C@@](O)(C(F)(F)F)C1 4478251 PKIMKAKUYBFDEC-HNNXBMFYSA-N 367.331 2.241 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1 5314609 SXVJEOYGGUMVSI-UHFFFAOYSA-N 370.427 2.166 0 40 FEAB COc1ccc(CC(=O)OCC(=O)N2CCc3ccccc32)cc1OC 6424438 XHOJRIXLJKPXJC-UHFFFAOYSA-N 355.390 2.379 0 40 FEAB O=C(/C=C/c1ccc(Br)o1)NCCc1nnc2ccccn12 5489329 KKXCOWDAXGTTSR-FNORWQNLSA-N 361.199 2.457 0 40 FEAB O=C(NCc1nnc2ccccn12)c1ccccc1CSc1ncn[nH]1 6589416 ICKBHDXFANIHNG-UHFFFAOYSA-N 365.422 2.070 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccccc1 5680844 BFYDEONLVBYCBU-GOSISDBHSA-N 355.419 2.470 0 40 FEAB NC(=O)[C@H](CNC(=O)c1c(Cl)nc2ccccn12)Cc1ccc(F)cc1 66456513 QBANPEMKEHNRAW-LBPRGKRZSA-N 374.803 2.201 0 40 FEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 6880070 VRYCFZBTRGHQLM-BEFAXECRSA-N 367.401 2.457 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)ccc12 15324742 QWVJXTBAEBEGLA-UGSOOPFHSA-N 358.419 2.494 0 40 FEAB CC(C)=CC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 7651823 WCMPQQHAENGHID-ZDUSSCGKSA-N 368.455 2.210 0 40 FEAB COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)C 17303862 SYYAWOIYARIXJO-UHFFFAOYSA-N 374.422 2.074 0 40 FEAB CCOC(=O)c1[nH]nc2c1C(=O)N(c1ccc(Br)cc1)C2=O 18085270 DWQXEFWBRPBBLX-UHFFFAOYSA-N 364.155 2.150 0 40 FEAB CC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CC1 72074554 DBKHFWVMLRFCNG-UHFFFAOYSA-N 370.478 2.359 0 40 FEAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C2CCOCC2)cc1 72341010 UPIFXTWRBWBJMT-QGZVFWFLSA-N 366.421 2.325 0 40 FEAB O=C(CN(Cc1ccco1)C(=O)c1csnn1)NCc1ccc(F)cc1 35315042 YYAUXEBZAYWROK-UHFFFAOYSA-N 374.397 2.229 0 40 FEAB CCOC(=O)C1=NN(c2ccccc2F)[C@]2(N3CCOCC3)CCC[C@@H]12 32912775 OGKHVMWUNALZGM-IFXJQAMLSA-N 361.417 2.393 0 40 FEAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCc1ccccc1 38187908 SDDSXZZMSUONCO-OAHLLOKOSA-N 350.378 2.450 0 40 FEAB Cc1ccn(C[C@H](C)CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 36615044 BDILRFWNPVQOSJ-SECBINFHSA-N 361.418 2.015 0 40 FEAB COc1cccc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(C)cc2C)c1 62931410 HVMHVOCXOLHSDG-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB CCc1nnc2ccc(SCC(=O)Nc3cc(OC)ccc3OC)nn12 44902845 ZMSBLKSFJJTIPY-UHFFFAOYSA-N 373.438 2.435 0 40 FEAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(CC(N)=O)cc2)cc1 225887615 MEHRULGIAHNVAC-UHFFFAOYSA-N 368.418 2.494 0 40 FEAB Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)s1 96225599 VTNUKWBHKKTKNE-KBXCAEBGSA-N 363.483 2.073 0 40 FEAB CN1CCN(c2ccc3ccc(C(=O)N(C)Cc4ccccn4)cn23)CC1 96267344 YOMMPERXOSNHBS-UHFFFAOYSA-N 363.465 2.358 0 40 FEAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)c4ccsc4)CCO3)C2)nn1 96226559 DRUFIOKVZDWYLC-SFHVURJKSA-N 358.467 2.358 0 40 FEAB CCCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 96239599 XIEMGUVCEPIHCO-OAHLLOKOSA-N 359.442 2.359 0 40 FEAB COc1ccccc1NCC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 581357064 NPFNTMGEYYUVJQ-UZLBHIALSA-N 353.422 2.243 0 40 FEAB CCOCC[C@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1OC)C2 248002261 DPPMWRLWJSFCKZ-HNNXBMFYSA-N 369.483 2.210 0 40 FEAB Cc1ccc(N(C)[C@H]2COC3(CCN(C(=O)Cn4ccnc4)CC3)C2)cc1 257286556 PLZUZYTWIXGKTK-LJQANCHMSA-N 368.481 2.478 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2nn[nH]c2c1 617586445 FVZCFGHPVHPXQD-SUMWQHHRSA-N 354.414 2.072 0 40 FEAB COCc1ccccc1S(=O)(=O)N1c2cccc(C)c2C[C@H]1C(=O)O 630433546 RHZPPJVHRBTYJK-INIZCTEOSA-N 361.419 2.346 0 40 FEAB O=C(NCC1CC(F)(F)C1)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630648021 CVMXBFGUEOWMOY-LSDHHAIUSA-N 352.381 2.266 0 40 FEAB C[C@@H]1CN(C(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C[C@@H](C)O1 660852854 JQCAAKVQRLKSEU-HZPDHXFCSA-N 370.497 2.453 0 40 FEAB CCn1ccnc1[C@@H]1OCC[C@H]1CNc1nccc(-c2cnccn2)n1 664380163 OFKFAPGRMCEQBJ-XJKSGUPXSA-N 351.414 2.340 0 40 FEAB COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](C)C2)C1 1697213384 ROEZVUHOQARMRF-CABCVRRESA-N 361.490 2.175 0 40 FEAB Cn1cc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c2ccccc2c1=O 683217468 GIKGMHGVMUWOTM-JOCHJYFZSA-N 373.412 2.275 0 40 FEAB CNc1cccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 585276846 OZAPABXLJNYMMV-IBGZPJMESA-N 359.401 2.309 0 40 FEAB COc1c(I)cncc1I 67172000 GPDULJDJQYKQJF-UHFFFAOYSA-N 360.920 2.299 0 40 FEAB O=C(CCSc1nnnn1Cc1ccco1)NCCc1ccccc1 58208607 HKAAQBANDOQZCO-UHFFFAOYSA-N 357.439 2.156 0 40 FEAB C[C@@H](C(=O)Nc1ccc(NC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 56343451 ALPWTQPGTCUSGM-JTQLQIEISA-N 365.386 2.117 0 40 FEAB COC(=O)c1c(CC(=O)N(C)Cc2ccc(O)cc2)[nH]c(C(C)=O)c1C 75109841 NKRCKHREUFVMLE-UHFFFAOYSA-N 358.394 2.219 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@H]1CCC2(CCCCC2)O1 682962414 KHKXSFDUIPCDNQ-ZDUSSCGKSA-N 370.471 2.156 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C)nc2n1 5021301 MSMYAZMNYQYJPU-UHFFFAOYSA-N 373.800 2.498 0 40 FEAB O=C(Cc1ccccc1F)N1CCC(n2nnc3ccccc3c2=O)CC1 12182279 KMQGLKDGZPJKJY-UHFFFAOYSA-N 366.396 2.337 0 40 FEAB Cc1ccc2oc(=O)n(CC(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)c2c1 12204902 DIXHSLIABYZPGX-IYBDPMFKSA-N 359.470 2.387 0 40 FEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)CCc2cccnc2)on1 12223045 FOHNDFMIDOHFLN-UHFFFAOYSA-N 351.410 2.435 0 40 FEAB O=C(COc1ccccc1/C=C1\NC(=O)NC1=O)Nc1ccc(F)cc1 12338891 NFANZIKEJYUCLM-ZROIWOOFSA-N 355.325 2.024 0 40 FEAB Cc1c(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)C3N2CCCCC2)cnn1C 12742317 CMTFKAWPYDKTAU-BYICEURKSA-N 366.531 2.004 0 40 FEAB COc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16030579 VJRKCCARQPBJAQ-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)cc1 19168968 VMPLOLLWEOXXKB-QRVBRYPASA-N 363.417 2.231 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)n2)c1 169680735 UURGZRGMLCCRKB-UXLLHSPISA-N 365.433 2.247 0 40 FEAB Cc1ccccc1CN(C)C(=O)Cc1csc(NS(C)(=O)=O)n1 12785228 PLODYAZLBXGXNB-UHFFFAOYSA-N 353.469 2.024 0 40 FEAB Cn1nccc1C(=O)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888899173 RTQQMDFQPBCTLR-HNNXBMFYSA-N 363.421 2.418 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4c2ncn4C)C3)n1 1888904025 STGWTRGPOTYTIL-AUUYWEPGSA-N 365.441 2.147 0 40 FEAB COC(=O)c1sc(S(=O)(=O)Nc2ccccc2)c(C(=O)OC)c1C 16099995 WKBGCXFDGZAQQK-UHFFFAOYSA-N 369.420 2.431 0 40 FEAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 585146946 XQUSEXQUEVTWPH-KRWDZBQOSA-N 352.500 2.428 0 40 FEAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1ccc(F)c(Cl)c1 77099985 MHCKPRFSOXJBGT-INIZCTEOSA-N 371.817 2.428 0 40 FEAB CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 40046898 OHFLBBGETQTIKT-UHFFFAOYSA-N 352.437 2.290 0 40 FEAB COc1ccc(Nc2nc(N3CCOCC3)c3nccnc3n2)cc1OC 32102808 WCCMYNXNKTUEDI-UHFFFAOYSA-N 368.397 2.017 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102129951 XMQSCAGQNHTEKI-HOTGVXAUSA-N 355.390 2.062 0 40 FEAB CCCn1nc(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)ccc1=O 32817235 DPMOOGQOMKKVJK-GOSISDBHSA-N 368.481 2.220 0 40 FEAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(CC)s3)n2)cc1 21783426 BFEQTKHIRWQZMY-UHFFFAOYSA-N 355.423 2.461 0 40 FEAB CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(C(N)=O)cc2)c1 32913862 HPWRYDYGOYUBBC-UHFFFAOYSA-N 354.410 2.245 0 40 FEAB COCCNc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12 71283737 PSZSGLFANLNPFV-UHFFFAOYSA-N 359.455 2.443 0 40 FEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 922544 FXNHDGVNGTVCJA-AWEZNQCLSA-N 372.512 2.034 0 40 FEAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2F)s1)NC1CC1 1371488 UUUCQOVCDMZXKQ-UHFFFAOYSA-N 370.406 2.439 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 12530614 QVRBHLFRCWYWQB-KRWDZBQOSA-N 369.446 2.343 0 40 FEAB CCc1nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807340 PERQVSGCOZXWKW-STQMWFEESA-N 356.426 2.500 0 40 FEAB O=C(Oc1cc(Cl)ccc1Cl)C1=CC=CN2CCS(=O)(=O)N=C12 7688597 QQSXQUIEQDZIEE-UHFFFAOYSA-N 373.217 2.396 0 40 FEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1ccccn1 12539834 ZGVYYAZJYZFZIJ-UHFFFAOYSA-N 361.467 2.397 0 40 FEAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1 1458420 KLMPYPTZCHNFBZ-KRWDZBQOSA-N 350.484 2.241 0 40 FEAB CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc[nH]n1 84744674 LGFYNHRJKXTWPQ-UHFFFAOYSA-N 365.459 2.124 0 40 FEAB CC(C)c1nnc(S[C@H](C)C(=O)N2CCNC2=O)n1Cc1ccco1 12613469 RYDCRDBCDPXQAW-LLVKDONJSA-N 363.443 2.075 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 9752629 UTCBQWUOSZRQIL-RULNRJAQSA-N 350.415 2.015 0 40 FEAB CC(C)NC(=O)N1CCC(C(=O)/N=c2/sc3ccccc3n2C)CC1 48237566 HBMAWSZZUZOKDB-CZIZESTLSA-N 360.483 2.497 0 40 FEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cn3ccc(C)cc3n2)c1 12785857 ONETZKXLPQLEBL-UHFFFAOYSA-N 359.407 2.394 0 40 FEAB O=S(=O)(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 58177865 BHGYZCLOBVGGBN-GOSISDBHSA-N 364.442 2.178 0 40 FEAB CC(C)c1nc2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2s1 58208478 DSNMCVKRRJHFQC-UHFFFAOYSA-N 367.496 2.089 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NCc1nc(-c2cccs2)no1 58244085 PHEHDKKQBMFBBF-UHFFFAOYSA-N 370.390 2.413 0 40 FEAB CCCNC(=O)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12753484 KCOKUGCKDJGHGN-AATRIKPKSA-N 351.457 2.365 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1F)Nc1cccnc1 58315127 KUJINWKDQKZMJD-UHFFFAOYSA-N 357.794 2.181 0 40 FEAB Cc1ccn2cc(C(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)nc2c1 58305943 GUBJWXWPJFIAJX-BBWFWOEESA-N 356.470 2.357 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)COc2ccc(F)cc2)C1 57994231 FZOMNYJCMSRRTD-UONOGXRCSA-N 351.422 2.151 0 40 FEAB Cc1nc(CS(=O)(=O)c2nc(C)c(C)n2C[C@H]2CCCO2)cs1 48368114 AEODLAXJQIWJSV-CQSZACIVSA-N 355.485 2.418 0 40 FEAB COC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 12892437 JEYQVKOGJSUVRV-UHFFFAOYSA-N 360.483 2.174 0 40 FEAB CCN(C(=O)CN(C)[C@@H](C)C[S@](C)=O)c1nc2ccccc2s1 96012886 RXWQDFYIWHQCET-DAOPMYJZSA-N 353.513 2.348 0 40 FEAB CCOc1ccc(S(=O)(=O)Nc2cnccc2N2CCOCC2)cc1 96013501 HORLNRDSBSQZJT-UHFFFAOYSA-N 363.439 2.118 0 40 FEAB CC/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9334913 DLUNLBQXKCNYRC-FOCLMDBBSA-N 356.426 2.232 0 40 FEAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc2c(c1)OCCO2 9356039 DYEGKEYVDUNBOH-UHFFFAOYSA-N 374.466 2.358 0 40 FEAB CC(C)Cc1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1CCCC2 13728765 COOQERPTOXSDEE-UHFFFAOYSA-N 354.410 2.100 0 40 FEAB CN1CCC2(CC1)OCCN2C(=O)c1cc(=O)c2cc(Cl)ccc2o1 13723404 ROALCELCFZXVKF-UHFFFAOYSA-N 362.813 2.341 0 40 FEAB CS(=O)(=O)c1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1Cl 14052765 PMGNLYRHPYCWGX-AWEZNQCLSA-N 367.810 2.127 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2=O)c2cccnc12 65575529 RHIORAFIHCTKGN-ZDUSSCGKSA-N 361.467 2.080 0 40 FEAB Cc1ccc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 4504971 BKIPZIVVCJKLAC-INIZCTEOSA-N 353.484 2.354 0 40 FEAB O=C(O)CCNC(=O)C1(c2cccc(Br)c2)CCOCC1 95405747 NRFSRECMKRABJP-UHFFFAOYSA-N 356.216 2.088 0 40 FEAB CC(C)Cc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 28248715 YDGUHBLMMOSGIM-UHFFFAOYSA-N 355.441 2.309 0 40 FEAB Cc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 5873863 PEMBNLRYKFMVNP-UHFFFAOYSA-N 372.421 2.202 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccc2c(c1)OCO2 7641232 DCLIXUDKHKGQPW-ZDUSSCGKSA-N 361.442 2.394 0 40 FEAB CC(C)=CC(=O)OCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 7651277 PUWLRAQPZLSNMF-CQSZACIVSA-N 353.440 2.157 0 40 FEAB CS[C@@H](CO)[C@H](C)NC(=O)c1cccc(I)c1 95426671 SKXNEVSGNXOHIE-KWQFWETISA-N 365.236 2.133 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NCC1CCCCC1 8314203 XQRYIQLTRPLEDF-ZDUSSCGKSA-N 354.472 2.237 0 40 FEAB O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 17073300 GEPIJSOBKPDQKK-LCSXWQTCSA-N 354.410 2.402 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(C)cs1 8505606 IMVVFVXFVVMJJW-CYBMUJFWSA-N 350.465 2.444 0 40 FEAB COCCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 113966816 XOMVTJRWGGGTKY-UHFFFAOYSA-N 356.488 2.002 0 40 FEAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc2cccnc12 97013975 TVHYGFRLZXBZRA-OAHLLOKOSA-N 371.466 2.343 0 40 FEAB CCC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704848 UIVIFUZBCZBVIC-CYBMUJFWSA-N 370.471 2.266 0 40 FEAB Cn1c(=O)cc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c2ccccc21 524734379 ZLUSJKCNKMGWHA-CYBMUJFWSA-N 356.407 2.494 0 40 FEAB C[C@@H]1CN(C)C[C@H](c2nc(CN(C(=O)c3ccccc3)C3CC3)no2)O1 527544415 DUYKAMCTQBAXHW-CZUORRHYSA-N 356.426 2.266 0 40 FEAB Cc1cc(C(=O)N2CCOCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271950 JLNQIHFOQHPDFT-UHFFFAOYSA-N 372.446 2.273 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 71863836 MSEZMIUXSKNYKZ-LBPRGKRZSA-N 358.435 2.406 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1Cl 71980268 KPMKXFSLKAQEMC-HNNXBMFYSA-N 366.845 2.468 0 40 FEAB CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)C1 72390894 SPJIOKCVKAZVEA-KRWDZBQOSA-N 364.449 2.401 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCN3C=O)cn2)CC1 72216390 JLZMNXXCEBOVFX-MRXNPFEDSA-N 360.458 2.432 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1ncc2c(F)cccn12 528334466 CERIMNMTFFFLOQ-MRXNPFEDSA-N 366.396 2.093 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 222777974 UWZNQMAITCEVCA-OAHLLOKOSA-N 356.422 2.237 0 40 FEAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 225734445 SHAODSUYEMRPIZ-VIFPVBQESA-N 353.425 2.209 0 40 FEAB COc1ccc([C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 136081218 DAXXKGAJEDPNIN-HRCADAONSA-N 358.781 2.483 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2nc(C)cc(N(C)C)n2)cc1OC 224187227 BUZJQXCXEJQJEQ-VQHVLOKHSA-N 356.426 2.198 0 40 FEAB CC(C)(C)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 143160899 HALVQHTYSGMMGS-AWEZNQCLSA-N 351.422 2.376 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccn3)nc21)[C@H]1CC=CCC1 96044473 JXKPQKXDFDUYKE-MAUKXSAKSA-N 352.438 2.413 0 40 FEAB NC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12 96161062 VZCOFPOQOAWURJ-UHFFFAOYSA-N 354.385 2.293 0 40 FEAB COCCN1CCc2cc(C(=O)NCC3CC3)c(NC(C)C)nc2CC1 96260467 BLWRFWZCRHIWLF-UHFFFAOYSA-N 360.502 2.089 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(Cc3c[nH]cn3)C2)n1 257310247 UEJJLVBCALWGDY-CQSZACIVSA-N 350.430 2.421 0 40 FEAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2S(=O)(=O)Cc2ccccc2)C1 257316961 VHSKLGMVCSGWHD-ZWKOTPCHSA-N 350.484 2.239 0 40 FEAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2C)CC1 257332433 XXHMHBWJJJUWGP-QUCCMNQESA-N 357.498 2.459 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252572045 YVUAAADTVNFMOW-SHTZXODSSA-N 370.409 2.395 0 40 FEAB COCC(=O)N1CCC(Cc2cncc(-c3ccccc3C(=O)O)n2)CC1 257216305 CTXNAWBSFLJWTI-UHFFFAOYSA-N 369.421 2.269 0 40 FEAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cnccn1 257277458 NYBLRGGPYADKJL-IHPCNDPISA-N 364.449 2.486 0 40 FEAB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NCCCc1nnc2n1CCCC2 270946734 OFCCFJBJDXSMHW-UHFFFAOYSA-N 372.473 2.079 0 40 FEAB COc1ccccc1[C@@H]1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 654639924 XYYVSUOQHPABAR-CZUORRHYSA-N 371.441 2.364 0 40 FEAB CCN1C[C@@H](CN(C)c2ncnc3c2Cc2ccccc2OC3)CC1=O 97729727 XSUKXLIWWCAUQJ-CQSZACIVSA-N 352.438 2.264 0 40 FEAB COC(=O)[C@@H]1CCc2nnc(-c3cc(OC)ccc3Br)n2C1 601045825 YNEFNGCWXLDMND-SECBINFHSA-N 366.215 2.452 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCC(Oc2cccnn2)CC1 96119366 BNIGCCIKVWVXRD-UHFFFAOYSA-N 370.434 2.257 0 40 FEAB COCCN1CC[C@@]2(CN(Cc3cccc(C)n3)CC(F)(F)C2)C1=O 585093292 NTORLPHTOLQLQY-QGZVFWFLSA-N 353.413 2.096 0 40 FEAB O=C1NCCC[C@H]1N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585534212 XSIQEWVHFZPQHL-CYBMUJFWSA-N 357.376 2.470 0 40 FEAB C[C@H]1c2ncc(CCOCc3cccnc3)n2CCN1Cc1cn[nH]c1 585096792 AUHDABIYNAILTK-HNNXBMFYSA-N 352.442 2.337 0 40 FEAB COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1OC 162681287 ZBGKGFXBPFHLAP-OAHLLOKOSA-N 356.426 2.177 0 40 FEAB CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1 74971354 BAJJCXUZZQYCGE-HNNXBMFYSA-N 354.472 2.458 0 40 FEAB O=C(COC(=O)C1(O)CCCC1)N1c2ccccc2NC(=O)C12CCCC2 58502175 JALUJFQLZUPBAL-UHFFFAOYSA-N 372.421 2.133 0 40 FEAB Cc1nn(CC(=O)NCCc2cccc(F)c2)c(=O)c2cc3occc3n12 12115450 SAHUMHQIAHIEGD-UHFFFAOYSA-N 368.368 2.049 0 40 FEAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200364 BQXIDUQOLMUKND-CYBMUJFWSA-N 370.430 2.480 0 40 FEAB C[C@@H](Cc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13686477 AVJKRCUPCIWRIZ-ZDUSSCGKSA-N 367.405 2.062 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2)c1 13960166 PZOLHLTWVGDAPM-FZKCQIBNSA-N 357.797 2.252 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NCc3cccc(OC)c3)CC2=O)cc1 13999378 QNXOQYVZTBNUJX-OAHLLOKOSA-N 354.406 2.373 0 40 FEAB COC(=O)[C@](NC(C)=O)(Nc1nc2c(s1)CCCC2)C(F)(F)F 17029048 ZOXYLXQHVJITPM-LBPRGKRZSA-N 351.350 2.002 0 40 FEAB O=C(c1cc(C2CCN(Cc3ccncc3)CC2)no1)N1CCC[C@@H](O)C1 19405171 VGEAVNRVQJGFCL-QGZVFWFLSA-N 370.453 2.046 0 40 FEAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)n(C)n1 19452244 DDTSMZPXXHIRQR-CQSZACIVSA-N 369.469 2.066 0 40 FEAB C[C@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 19455331 STXWLTPUALOHSZ-QAPCUYQASA-N 368.485 2.366 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCOc3ccccc31)C2=O 19664810 QIAICENHIJOYBY-KLSXAPCHSA-N 371.437 2.127 0 40 FEAB CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C(C)=C1C(=O)OC 19819122 QQIIWCBLTGVYQW-CYBMUJFWSA-N 350.802 2.276 0 40 FEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868768 XBRXSCVYMVJDQZ-GBJTYRQASA-N 368.524 2.454 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 19936890 AQCHHTIKAHFKPA-UHFFFAOYSA-N 350.371 2.232 0 40 FEAB CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710156 QIUDXWXBRKSEGN-UHFFFAOYSA-N 353.422 2.122 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791818 VBYFRPLNOIBSSM-UHFFFAOYSA-N 354.429 2.386 0 40 FEAB CCc1[nH]nc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)c1Br 647140051 RDBWZOLVDBDBBU-CQSZACIVSA-N 368.235 2.481 0 40 FEAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cncc(Br)c1 575605424 FKNYPZZYAAOPHU-OAHLLOKOSA-N 368.275 2.075 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 12977407 TVHBBBDUVHJGCS-MRVPVSSYSA-N 365.149 2.481 0 40 FEAB CCc1nc(N2C[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]3C2)nc(O)c1F 1888875697 FIECHJPEKWKVEK-HUUCEWRRSA-N 370.428 2.021 0 40 FEAB CC(C)(C)c1ccc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nn1 1889091505 DJAJJMDFXUASTA-UHFFFAOYSA-N 367.501 2.491 0 40 FEAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2ccnc2)C1 1889191439 QVXBIGBBQOPSPH-UHFFFAOYSA-N 361.345 2.102 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565556658 PAMUDAPOVYPNNN-MAUKXSAKSA-N 359.495 2.368 0 40 FEAB CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 4101009 WWCWSLDFKQSHIN-UHFFFAOYSA-N 356.407 2.406 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 4270419 DRBVAWUJLZNQTF-UHFFFAOYSA-N 358.419 2.331 0 40 FEAB Cc1csc(NC(=O)c2ncn3c2CC[C@@H](C(=O)N2CCCC2)C3)n1 2055713615 NZIKZEQOHGKYFY-GFCCVEGCSA-N 359.455 2.085 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cccc(F)c1 2055739394 UWEJZQVGRUZOCL-AWEZNQCLSA-N 357.385 2.241 0 40 FEAB Oc1c([C@H](c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12 22610066 JRAVLTMEUUWOEH-LBPRGKRZSA-N 362.411 2.018 0 40 FEAB COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)c1 20723570 IIHFBKDTKUZJPU-HNNXBMFYSA-N 363.377 2.476 0 40 FEAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 32598941 XSRNWWBAANJKTN-UHFFFAOYSA-N 365.798 2.197 0 40 FEAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)n1 21450383 MVDBWXPKNNALIU-CMPLNLGQSA-N 358.485 2.025 0 40 FEAB CS(=O)(=O)CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 52610006 FLKGLGAMSFAWFU-ZDUSSCGKSA-N 365.282 2.441 0 40 FEAB CCCc1noc(CCC(=O)Nc2ccc(S(=O)(=O)CC)cc2)n1 22828606 KRJKDYWHZNITAM-UHFFFAOYSA-N 351.428 2.387 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccnc1-n1cccn1 23170997 BATXGNHGXHKKIY-UHFFFAOYSA-N 371.347 2.304 0 40 FEAB Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)NC(C)(C)C 1325477 QLOFAWPTINVFRT-UHFFFAOYSA-N 362.455 2.141 0 40 FEAB CCOCCCn1c(SCC(N)=O)nc2c(oc3ccccc32)c1=O 2713547 IBXCSOHEZKXBPD-UHFFFAOYSA-N 361.423 2.147 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)[C@@H]1Cc2ccccc2O1 24660479 ZVYYFKZCDUAFAA-AEFFLSMTSA-N 368.458 2.208 0 40 FEAB Cc1ccc(OCC(=O)O[C@@H](C)C(=O)NC2CC2)c(Br)c1 7935762 QJAPHPNMGYPTLP-JTQLQIEISA-N 356.216 2.347 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 59338508 ZGZCDLPPASRPHK-QCBUCWTNSA-N 368.389 2.052 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1 71281924 RZUNKQDOONECFE-NSHDSACASA-N 372.450 2.167 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106529531 TUTJQOUDMUIHAH-INMHGKMJSA-N 352.500 2.150 0 40 FEAB O=C(CN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)NC1CCCCC1 57389500 SFVOGPVGGGKKIA-OAHLLOKOSA-N 370.540 2.186 0 40 FEAB O=C(CCN1CCC[C@@H]1c1ccsc1)N1CCN(c2ncccn2)CC1 48288324 HFDRNEDFKZYGPF-QGZVFWFLSA-N 371.510 2.414 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102593575 KSEOEMAANVXKNP-SCMJLYPYSA-N 350.418 2.295 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccnc1N1CCOCC1 12774695 RCJHVOBFGQNIPB-UHFFFAOYSA-N 355.394 2.332 0 40 FEAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 12737624 ZLHKAOGIKILWQY-OKILXGFUSA-N 367.515 2.396 0 40 FEAB O=C(Cn1c(-c2cccs2)noc1=O)N[C@H]1CCOc2ccccc21 58208934 RTUNWSRWEDDRMO-LBPRGKRZSA-N 357.391 2.205 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 28223581 FJJQQKCBVXHQDG-HZPDHXFCSA-N 350.484 2.346 0 40 FEAB CN(C)[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 58307857 QXSICNFVDCBQAD-OAQYLSRUSA-N 367.493 2.438 0 40 FEAB Cc1csc([C@@](O)(CC(=O)N2C[C@H](C)O[C@H](C)C2)C(F)(F)F)n1 58413811 PIEWQOBYERQTLG-CWSCBRNRSA-N 352.378 2.227 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)c1 10894989 JUFITWALNHVUAG-UHFFFAOYSA-N 364.398 2.335 0 40 FEAB O=C(Cc1cnn(-c2ccccc2)c1)NCCNC(=O)c1cccs1 48310173 JTDNXIXLZCKEDT-UHFFFAOYSA-N 354.435 2.023 0 40 FEAB O=C(Nc1nc(CN2CCOCC2)cs1)C1=Cc2ccccc2OC1 48340204 UPDAVZMKGCZBQW-UHFFFAOYSA-N 357.435 2.390 0 40 FEAB COc1cc(OC)cc(C(=O)Nn2cnc3ccc(Cl)cc3c2=O)c1 12814079 TUSHZJUAEUMJKJ-UHFFFAOYSA-N 359.769 2.451 0 40 FEAB C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1nncn1C 84714590 MBFDFDVKADJVMK-BQFCYCMXSA-N 370.501 2.428 0 40 FEAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1 11779015 ANKQOYXPZZIUTR-LSDHHAIUSA-N 360.454 2.494 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@H]1CC[C@@H]2C(=O)O 118924260 CJYUFWOVLMFZOX-MGZQEYBHSA-N 366.454 2.270 0 40 FEAB COc1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 13006555 WHWWGGNTWCTXQR-UHFFFAOYSA-N 353.422 2.397 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4168902 UMRYQUBZRNBMRO-RUYKILAVSA-N 366.461 2.367 0 40 FEAB COc1cccc([C@@H]2[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC(=O)N2C)c1 72405129 CBYOHLFGLIRGGZ-RDTXWAMCSA-N 364.405 2.152 0 40 FEAB CCN(C[C@H](C)C(N)=O)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 65626110 JPXYMIWBCLHIJL-VIFPVBQESA-N 371.821 2.110 0 40 FEAB CCn1c2ccccc2c2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc21 4509961 KRBTYYKVWXPWBT-CYBMUJFWSA-N 372.454 2.311 0 40 FEAB COCc1nnc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)s1 96231436 HACKWUMDNDCMKL-UHFFFAOYSA-N 359.415 2.171 0 40 FEAB CCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)cc(OC)c2)C1=O 6788159 BVAMWTDGLPERKE-GOSISDBHSA-N 363.414 2.143 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 4968847 COCVUSYJIKABQC-UHFFFAOYSA-N 369.487 2.141 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 4928444 WAPZZFBFZCRDAB-KWCYVHTRSA-N 366.483 2.270 0 40 FEAB CCc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 8252669 UXDJSTPYRAENDS-UHFFFAOYSA-N 363.377 2.116 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)NCc3ccccc3F)c(=O)c2cc1OC 17042508 SLMWYJRFTQLAJA-UHFFFAOYSA-N 372.352 2.320 0 40 FEAB Cc1cc(NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)no1 17747360 BAWLBVSSPZVIIA-UHFFFAOYSA-N 350.400 2.091 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C(=O)CCC1=O 69962638 IVROGSPAYZCCON-IINYFYTJSA-N 366.364 2.319 0 40 FEAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 70666304 PBWCYOHYYMLSNC-RYUDHWBXSA-N 360.366 2.258 0 40 FEAB biogenic COC(=O)c1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)cc1 8708644 VOCINUZEQHMHHN-UHFFFAOYSA-N 366.377 2.167 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H](C(=O)O)C3)cc2oc1=O 8764448 BSLFBXWCUALIAR-ZDUSSCGKSA-N 359.378 2.112 0 40 FEAB biogenic COCCOC1CN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 76094624 LDRGUWSCRCHONQ-LJQANCHMSA-N 368.433 2.032 0 40 FEAB CN1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 32963987 URVNTGCCDUBUKA-CMDGGOBGSA-N 355.482 2.103 0 40 FEAB Cc1nc2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CCN(C)CC1 306144951 ZTAVCXYIBVCVIA-UHFFFAOYSA-N 356.518 2.485 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(C)ccc2F)nc1N 408545397 YMGLIIFKCDCXNA-UHFFFAOYSA-N 364.402 2.414 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OCC 408696542 CBZOKQQRMHRYMI-UHFFFAOYSA-N 362.451 2.314 0 40 FEAB CC[C@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 72397262 KWAUXDRUIIMFQG-WMZOPIPTSA-N 371.529 2.093 0 40 FEAB NC(=O)CN1N=C(c2ccc(F)cc2)Cn2c(cc3sccc32)C1=O 72334551 QRFWAEIDLRJVME-UHFFFAOYSA-N 356.382 2.187 0 40 FEAB C[C@]12C[C@H](c3ccccc3O1)n1c(s/c(=C\c3cccc(O)c3)c1=O)=N2 71785060 IVAZWLLTTJQLBN-YBBBUGGBSA-N 364.426 2.166 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NC[C@](O)(c1ccccc1)C1CC1 70966839 YMKZRESQNMVMIM-FQEVSTJZSA-N 352.390 2.009 0 40 FEAB CC(=O)NCC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72362716 MDMNKUKKJIZEPE-UHFFFAOYSA-N 372.400 2.250 0 40 FEAB Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1 36106024 AHCVVGLSKFJYGG-UHFFFAOYSA-N 352.843 2.243 0 40 FEAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC[C@H]1CN1CCCC1 38394495 JWJIFXKTIDOFGJ-AWEZNQCLSA-N 356.297 2.432 0 40 FEAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)[nH]n1 72361486 WEVCWGVPYOMIAT-GOEBONIOSA-N 369.473 2.366 0 40 FEAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(SC)cc1 72408091 MGJSSQWPDSBCNV-HNNXBMFYSA-N 360.439 2.479 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71980082 BTROXNLECNKJIW-CYBMUJFWSA-N 372.343 2.053 0 40 FEAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 226036631 FWOYFPMFQBCHBD-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 40288311 ZEJNZVAKHQAOSB-QLFBSQMISA-N 353.397 2.378 0 40 FEAB CCc1nc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cs1 63199472 HSSKGEXEUOJQMS-UHFFFAOYSA-N 354.453 2.297 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(OC)cc2)cc1 222879366 VQRWAFDEKVRNPP-UHFFFAOYSA-N 362.451 2.199 0 40 FEAB Cc1nc(CN2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)cs1 96199844 USAAPSXUERQMPS-MRXNPFEDSA-N 359.499 2.166 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3ccncn3)C2)n1 257275655 NQHPWFICPPEITH-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB CNc1cccc([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257332864 XZBRTXQUJMSFGU-INIZCTEOSA-N 351.410 2.293 0 40 FEAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)c3ccncc3)CC2)s1 257276513 NUBLPTHWVVCQFQ-UHFFFAOYSA-N 358.467 2.434 0 40 FEAB CCN1CCN(c2nc(C)c3c(n2)N(C)N=C(c2ccccc2)O3)CC1 257173038 AZKGVJHKIFEUCD-UHFFFAOYSA-N 352.442 2.117 0 40 FEAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1ccc2[nH]cnc2c1 253472216 KIZZTBQLGYRPKJ-UHFFFAOYSA-N 353.407 2.073 0 40 FEAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCOC[C@]12CCOC2 282453326 HJWULDDQYHBUNI-LLVKDONJSA-N 358.268 2.235 0 40 FEAB CS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 1642039944 DTLZCCGBOJZFFI-UHFFFAOYSA-N 374.388 2.167 0 40 FEAB Cc1nn(C)c2ncc(CN3CCC(C(N)=O)(c4ccccc4)CC3)cc12 604392875 ZGESBJZQFIYACZ-UHFFFAOYSA-N 363.465 2.296 0 40 FEAB O=C(NCCc1nc(=O)o[nH]1)c1cnn(C2CCCC2)c1-c1ccccc1 643351458 ZBVXSUMWJHKOHQ-UHFFFAOYSA-N 367.409 2.314 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(F)cc1Br 643764657 AIAGNOYMTJGUGJ-HNNXBMFYSA-N 359.239 2.315 0 40 FEAB CN(C(=O)C1CC2(CCC2)C1)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)CC1 1775996844 KHRDQJTUDMDRBZ-QGZVFWFLSA-N 358.486 2.372 0 40 FEAB COc1cc(OC)c(NC(=O)CN2CCc3c(ncn3C)C2)cc1Cl 600732912 CZEYDGCKPVXOND-UHFFFAOYSA-N 364.833 2.088 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365508 ZQMSDTAHBMHBND-OAHLLOKOSA-N 359.403 2.104 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NCc3ccco3)C2)c1 575403290 GUOUEKKAIODCOP-SFHVURJKSA-N 364.405 2.298 0 40 FEAB COc1ccc(C(=O)N2CCO[C@](CO)(Cc3cccc(F)c3)C2)cc1 585276802 JGDINGMDAJHROK-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1cn(C)c3ccccc13)[C@H](C)C2 585097693 MRPFMXNNGKVFRE-CYBMUJFWSA-N 353.426 2.003 0 40 FEAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C1 585277067 RTFJXPVZMURGTR-FQEVSTJZSA-N 353.422 2.318 0 40 FEAB CCc1cnc(OC2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 1776009112 IJYAGIRKCWEYIW-AWEZNQCLSA-N 372.391 2.045 0 40 FEAB O=C1NCCCC[C@@H]1Sc1nnc(S[C@H]2CCCCNC2=O)s1 48279167 NZRRVIJBPYONJJ-UWVGGRQHSA-N 372.541 2.060 0 40 FEAB CC(C)c1nc2ccccc2c2nn(CC(=O)NCc3ccco3)c(=O)n12 12145091 LZBVWVSKCGILSK-UHFFFAOYSA-N 365.393 2.077 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)C3CC3)ccc2N1 12238853 OEQRLHVQCWPKEY-UHFFFAOYSA-N 357.435 2.320 0 40 FEAB CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3F)cs2)C1=O 19460079 CXFUHYLIALZDSE-UHFFFAOYSA-N 362.386 2.218 0 40 FEAB CC(=O)N[C@@]12CNCC[C@@H]1CN(C(=O)C1(c3ccc(C)cc3)CCCC1)C2 19713752 XAGOUDIFTYQHDI-DENIHFKCSA-N 369.509 2.133 0 40 FEAB Cc1cc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc(Cl)c2o1 19716141 NCJBYXWCSSECPN-UHFFFAOYSA-N 371.784 2.477 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4c2cnn4C)C3)n1 1888904127 XMCIISJQVSPXCH-LIRRHRJNSA-N 365.441 2.147 0 40 FEAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24148916 ITUQOVDWMDEJLI-UHFFFAOYSA-N 359.451 2.479 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(Br)c1 14197994 RVIQCMKZPOTLQK-LBPRGKRZSA-N 361.261 2.120 0 40 FEAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nc1 238931718 VDJQPWGODSNKLQ-HNNXBMFYSA-N 360.435 2.167 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(OC)CCSCC2)cc1 245187622 ZRGOVJZOMOKKAX-UHFFFAOYSA-N 374.484 2.055 0 40 FEAB COC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 5251259 LUSAGVNSUHQDCQ-UHFFFAOYSA-N 360.797 2.424 0 40 FEAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC1CCCCC1 9040621 MXOYLGHYLQNHEK-CYBMUJFWSA-N 359.426 2.400 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cc1F 2055734562 JRYGZRIFSDEKCS-HNNXBMFYSA-N 373.428 2.242 0 40 FEAB Cc1cc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)no1 1775972499 IKUIWPFGTXZGIZ-UHFFFAOYSA-N 352.394 2.245 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1F 40013278 DTIBNWOOGCWFGH-SFHVURJKSA-N 364.384 2.210 0 40 FEAB COc1ccc(OC[C@@H](O)Cn2c(CCCO)nc3ccccc32)cc1 40115595 ZXHACTTZOYIWNR-HNNXBMFYSA-N 356.422 2.410 0 40 FEAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1cccc(-n2cnnn2)c1 40287816 KZGWOAYUXSAPJC-UHFFFAOYSA-N 351.366 2.005 0 40 FEAB COc1ccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 101357629 OQJOKWUSXSJMEZ-HDICACEKSA-N 370.449 2.085 0 40 FEAB O=C1C[C@@H](Nc2ccc3c(c2)OCCO3)C(=O)N1CCc1ccccc1F 102140090 XXDIPGCRIMHOKS-MRXNPFEDSA-N 370.380 2.379 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 32814382 OVIDTSSWIXNUTI-UHFFFAOYSA-N 371.418 2.294 0 40 FEAB COc1cccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)c1OC 21914210 ITNXWRYZRYBJGQ-UHFFFAOYSA-N 363.435 2.380 0 40 FEAB CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(F)c1 22754695 JTZORTHRQAHRFE-QGZVFWFLSA-N 368.412 2.105 0 40 FEAB Cc1ccc(SCCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 23198179 VHCXXBOFAGDJOC-QGZVFWFLSA-N 357.479 2.483 0 40 FEAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 78820739 QSOBLMLOKJQYDS-BMIGLBTASA-N 367.373 2.377 0 40 FEAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccc(C)c3)cc2c1 1366735 WJQYZULWYSHCNS-UHFFFAOYSA-N 366.417 2.480 0 40 FEAB O=C(/N=c1/sccn1Cc1ccccc1)c1cnc2sccn2c1=O 104886480 VCWWSUNQGWZHSK-HTXNQAPBSA-N 368.443 2.408 0 40 FEAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1 2631684 UVNKGGGHQLLTDY-CYBMUJFWSA-N 361.423 2.197 0 40 FEAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 24267231 WQEUPGQNINNBDB-GFCCVEGCSA-N 360.366 2.176 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 102016655 YOMSUTUJJXGCQM-DARAHFNDSA-N 357.797 2.252 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 8285466 WZYXKQZZPLRZJV-LBPRGKRZSA-N 368.405 2.463 0 40 FEAB CCNC(=O)CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 12537991 QNJIVNSWASDERE-UHFFFAOYSA-N 351.457 2.468 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1 56970155 CSXUVHHSNPEEHD-UHFFFAOYSA-N 363.421 2.209 0 40 FEAB Cc1sc2nc(CN3CCN(c4ncccn4)CC3)nc(N)c2c1C 12597426 FCPMVHRWEMVOEV-UHFFFAOYSA-N 355.471 2.003 0 40 FEAB NC(=O)COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 9479713 OAROTIYRYRMNQA-UHFFFAOYSA-N 352.312 2.500 0 40 FEAB CCOC(=O)c1c(NC(C)=O)n(CCOC)c2nc3ccccc3nc12 3205323 OPZKWTOKOVPAFE-UHFFFAOYSA-N 356.382 2.366 0 40 FEAB CCn1c(Cn2ccnc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 10809674 NTSMOIAQVKUMEL-UHFFFAOYSA-N 373.482 2.476 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 36727532 KKCZZSNAZUCAMS-UHFFFAOYSA-N 355.232 2.095 0 40 FEAB CC(C)Cn1c(=O)[nH]c(=O)c2c(S)nc(C[C@@H]3C[C@@H]4CC[C@@H]3C4)nc21 100576930 AOZDGYAUXZAFJW-UTUOFQBUSA-N 360.483 2.403 0 40 FEAB O=C(CCc1nc(-c2ccco2)no1)NCc1cccnc1-n1ccnc1 29909549 HSONTYLUOXMYIK-UHFFFAOYSA-N 364.365 2.159 0 40 FEAB COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206517 TUOJPXFGSZJCAT-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB C[C@H]1C[C@H](N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C(=O)O1 12803872 UYSJZWLQQJLALW-BBRMVZONSA-N 350.374 2.186 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 13003850 HCKZEGBXYVWCGS-QWRGUYRKSA-N 363.366 2.096 0 40 FEAB C[S@@](=O)c1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 65492628 PENUESAKAAOIEA-GKVSMKOHSA-N 356.447 2.127 0 40 FEAB O=C(Cc1cn2ccsc2n1)N[C@@H](CN1CCOCC1)c1ccccc1 14084212 UGODVGGOCDJIRX-KRWDZBQOSA-N 370.478 2.128 0 40 FEAB CCN(CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 5372343 WETQMQHLUVWWKI-CABCVRRESA-N 353.513 2.495 0 40 FEAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OC(C)C 14159805 HZPVUUKJVUJGDQ-UHFFFAOYSA-N 356.426 2.235 0 40 FEAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 4505381 ZJKMWNYHMCGXAH-OAHLLOKOSA-N 359.513 2.281 0 40 FEAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 6559755 GKMLOJLWRVDONK-UHFFFAOYSA-N 357.410 2.208 0 40 FEAB CO[C@H](C)c1nc(CS(=O)(=O)c2nnc3n2CCCCC3)cs1 176941984 RTDVFLPNHPPFIP-SNVBAGLBSA-N 356.473 2.142 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 15806151 OKFALOSOTXHZHR-MRVPVSSYSA-N 353.762 2.411 0 40 FEAB O=C(CN1C(=O)CCNC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 8132637 YOKHNCDHRHZRSN-KRWDZBQOSA-N 351.406 2.029 0 40 FEAB C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nnn[nH]1 95942098 FEKLGIOLWKCLOO-JTQLQIEISA-N 356.411 2.047 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1 8941925 AZGPLGODSVBENB-UHFFFAOYSA-N 362.426 2.474 0 40 FEAB O=C(O)c1ccc(N2CN(CCc3ccccc3)CC([N+](=O)[O-])=N2)cc1 20522110 GCHOOBQNGUQWIA-UHFFFAOYSA-N 354.366 2.297 0 40 FEAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)c1cccnc1 306143589 YGKBZXSXFMUQIJ-BHIYHBOVSA-N 355.413 2.098 0 40 FEAB Cc1cccc(CSCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 222603059 MCTDDEOPKIMVKG-MRXNPFEDSA-N 370.540 2.016 0 40 FEAB CCCN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2O)C1=O 409221378 PMMKOYICWDKQON-UXBLZVDNSA-N 355.188 2.466 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc([N+](=O)[O-])cc1 33777331 WAIDPEZWNIHHMO-AWEZNQCLSA-N 361.379 2.418 0 40 FEAB COc1cc(NC(=O)c2cn3nccc3nc2C)ccc1N1CCCC1=O 567838385 OHQZXSHGZDHBBI-UHFFFAOYSA-N 365.393 2.425 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217661945 SPEIZRGCNCFVQA-RYUDHWBXSA-N 358.460 2.299 0 40 FEAB COCC(=O)N1CCN(C(=O)NCC2(Cc3ccccc3)CCCC2)CC1 182154601 SGNBZXJCZDWJLQ-UHFFFAOYSA-N 373.497 2.290 0 40 FEAB Cc1nnnn1-c1cccc(C(=O)NCCn2ccc3ccc(F)cc32)c1 72400937 DXXJLABPTOVQSO-UHFFFAOYSA-N 364.384 2.495 0 40 FEAB CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]21 514290150 SUTDLXFXUFPAQR-AEFFLSMTSA-N 351.406 2.114 0 40 FEAB biogenic,in-vitro COc1nccnc1O[C@H]1CCN(C(=O)c2ccc(Br)o2)C1 225807508 ZMGVVIJDUAEMCO-VIFPVBQESA-N 368.187 2.134 0 40 FEAB Fc1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048531 OBMSIIRJZUVDBG-FUHWJXTLSA-N 350.438 2.078 0 40 FEAB O=C(c1ccc(F)cc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240871 ZJZPKGFILMYWPE-QGZVFWFLSA-N 360.429 2.317 0 40 FEAB COC[C@H]1CC2(CCN(C(=O)c3ccccn3)CC2)CN1c1ncccn1 96051825 KBVOXTCERRGEOL-MRXNPFEDSA-N 367.453 2.019 0 40 FEAB Cc1occc1C(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C 96237684 BQCNWZIBFTYRCP-GOSISDBHSA-N 359.451 2.213 0 40 FEAB Cc1nc(COC[C@@H]2CN(C)C[C@@]23CCN(c2ncccn2)C3)cs1 96220010 BCEVBQOGFGBJAZ-MAUKXSAKSA-N 359.499 2.216 0 40 FEAB CS(=O)(=O)c1ccc([C@@H](O)Cn2cncc(-c3ccccc3)c2=O)cc1 585079892 CYKWARYCGWNKJV-SFHVURJKSA-N 370.430 2.047 0 40 FEAB O=C(CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1)NC1CC1 97162095 FCRMXZLWOSAIDN-UHFFFAOYSA-N 362.373 2.228 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(c2ncc(F)cn2)C3)cs1 248075270 ZPCHHQAKGBAGJM-AWEZNQCLSA-N 350.419 2.335 0 40 FEAB Cc1csc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1 252507767 WTPJNFMKUPMGTC-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB COc1ccc2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C)cc4)C3)n2n1 634457888 KAGHACNVJOYZTO-INIZCTEOSA-N 365.437 2.051 0 40 FEAB Brc1ccc2nccc(N3CCN(Cc4nc[nH]n4)CC3)c2c1 651456097 KDLXGAXVPHKGPX-UHFFFAOYSA-N 373.258 2.438 0 40 FEAB O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653330484 GDBSLEGKCSIKJK-IAGOWNOFSA-N 364.401 2.395 0 40 FEAB Cn1c(CCNC(=O)c2nn(C)c3ccccc23)nnc1-c1ccccc1 1153964383 MFYGRYNJZZDPEW-UHFFFAOYSA-N 360.421 2.341 0 40 FEAB CCCc1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n(C)n1 585283717 CXEBHKTUWMYYAO-NIKGAXFTSA-N 357.454 2.321 0 40 FEAB CN1C(=O)N[C@@](C)(c2ccc(NC(=O)c3ccncc3Cl)cc2)C1=O 1530438048 XPEHNVDWAOVMKE-KRWDZBQOSA-N 358.785 2.384 0 40 FEAB O=S(=O)(N1CCCC1)N1CCN(c2cccc(Cl)c2Cl)CC1 75146128 UZROZDOBHGCDIR-UHFFFAOYSA-N 364.298 2.456 0 40 FEAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCCC1 58202463 LETDFUOZQAHAJY-HNNXBMFYSA-N 358.410 2.130 0 40 FEAB CN1C(=O)CC[C@H](C(=O)OCc2cccnc2Cl)[C@H]1c1cnn(C)c1 78755973 LCYYABNQWRNXII-DZGCQCFKSA-N 362.817 2.121 0 40 FEAB CC(=O)N1CCc2cc(N[C@H]3CC(=O)N(Cc4ccccc4)C3=O)ccc21 103022393 KMNITZZTEWMVFT-SFHVURJKSA-N 363.417 2.335 0 40 FEAB C[C@@H](NC(=O)NC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106522154 BOABYMUYASKSGQ-HOSILWTGSA-N 368.437 2.047 0 40 FEAB Cn1ccnc1CN(CCNC(=O)c1cccs1)Cc1ccccn1 12116553 JXUDWBACZHHRDJ-UHFFFAOYSA-N 355.467 2.309 0 40 FEAB Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c2sccn12 19240815 KDTVBNALCVKDER-UHFFFAOYSA-N 356.451 2.423 0 40 FEAB COc1cc([C@H]2CC(=O)c3cn4ncnc4nc3C2)cc(OC)c1OC 19816599 DYOROSAGHQNCSG-SNVBAGLBSA-N 354.366 2.063 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 585083169 AUHGKVKYLIVKRG-HNNXBMFYSA-N 358.829 2.488 0 40 FEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 4926247 XIHAWZWKOKKGNZ-UHFFFAOYSA-N 373.361 2.271 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9671845 ZXUKKYBTKJZWOR-UHFFFAOYSA-N 372.437 2.378 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2ccc(O)nc2)C3)nc1 1888847465 HMOLCOCNPAUAGA-DNVCBOLYSA-N 354.410 2.207 0 40 FEAB Cc1nc2ncnn2c(N2CCC(Oc3ncc(Cl)cn3)CC2)c1C 1888869917 DTXSBMFNFPVWMB-UHFFFAOYSA-N 359.821 2.232 0 40 FEAB CSc1nccc(N2CCN(c3cc(C)nc4cc(C)nn34)CC2)n1 1888888528 YGCQRDHKMLTMFS-UHFFFAOYSA-N 355.471 2.185 0 40 FEAB Fc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1F 1889184634 XXPPPNCWUISMNL-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB COCCN1CCC(CNC(=O)Nc2cccc(OC)c2OC)CC1 38489562 NZWWDTUATBBPBS-UHFFFAOYSA-N 351.447 2.184 0 40 FEAB Cc1nnnn1-c1cccc(NCC(=O)N[C@@H]2CCOc3ccccc32)c1 50783358 KLQHXQGBXNKKHS-QGZVFWFLSA-N 364.409 2.023 0 40 FEAB COc1ccccc1C(=O)NCCNC(=O)c1cc2ccccc2n1C 20722453 WICWDLLMRVRNEQ-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1cccc2c1ccn2C 101411824 ZUMFJKKGYLGLHO-UHFFFAOYSA-N 350.382 2.201 0 40 FEAB CCc1cccc(NC(=O)C(=O)NCc2ccccc2Cn2cncn2)c1 32937385 DDRTXDMMJIXFLO-UHFFFAOYSA-N 363.421 2.144 0 40 FEAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc2ccccc2[nH]1 103114727 MVBPLMAOEQFSSJ-MCIONIFRSA-N 368.437 2.305 0 40 FEAB Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl 22351834 NRRCRRGIUNPLKB-GFCCVEGCSA-N 359.875 2.454 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]23)cc1OC 103518481 PUIUPDBRYKRYQZ-NVXWUHKLSA-N 370.336 2.135 0 40 FEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)cc(O)c1 939725 GIBUVYGIKCADMO-KRWDZBQOSA-N 354.362 2.093 0 40 FEAB O=C(c1ccc(Cl)cc1Cl)C(Cn1cnnc1)Cn1cnnc1 1277627 RAUANEIFAKKPRS-UHFFFAOYSA-N 351.197 2.376 0 40 FEAB CC[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2374005 BPRPINMGYKXNTP-INIZCTEOSA-N 365.389 2.087 0 40 FEAB CSCC[C@@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl 2726280 GMYRAWDJINRXPT-GFCCVEGCSA-N 364.298 2.442 0 40 FEAB CCSc1nnc(C(F)F)n1NC(=O)c1cc(C(F)(F)F)nn1C 2791830 FBJJWHZTBKLKTN-UHFFFAOYSA-N 370.307 2.464 0 40 FEAB O=C(c1cccs1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 4002625 AFLGAHUIOCVVQA-UHFFFAOYSA-N 366.446 2.461 0 40 FEAB CC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 4033834 WPRUIBNDCOQGIA-UHFFFAOYSA-N 367.336 2.120 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(OC)cc2)CC1 4691284 DBSKEBIRMXGYPM-UHFFFAOYSA-N 362.426 2.216 0 40 FEAB O=C(NCc1cccnc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 4767609 IDEQEDYEBZMQRA-UHFFFAOYSA-N 372.384 2.004 0 40 FEAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCc1ccc2c(c1)OCO2 5388044 JYYLYVYAJNKQAB-UHFFFAOYSA-N 369.402 2.017 0 40 FEAB CC(=O)c1ccc(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 6297258 KUKBVFOXOIWUSX-UHFFFAOYSA-N 363.464 2.023 0 40 FEAB Cc1cc(C)n2c(SCC(=O)Nc3ccccc3C(=O)O)nnc2n1 6558710 GKAJSUFEKMFHDO-UHFFFAOYSA-N 357.395 2.170 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)C(=O)OC 6640885 OPKXPDLKLJWDGG-VBNZEHGJSA-N 366.433 2.284 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)c(F)c1 7248102 BNIQJJALGRVNTE-LLVKDONJSA-N 355.362 2.425 0 40 FEAB COc1ccc(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)c(OC)c1 7280808 CXZPWACKDQOYQS-UHFFFAOYSA-N 367.361 2.324 0 40 FEAB COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)n[nH]c1=O 7301242 ZYWTUZGZBRNGQV-ZDUSSCGKSA-N 364.471 2.344 0 40 FEAB CC(C)(C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1 7469829 YRXPCTSHNQTFNA-UHFFFAOYSA-N 363.435 2.234 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3ccsc3)[nH]c(=O)c2c1C 8252124 YVLKVCKOAKJFJC-UHFFFAOYSA-N 364.404 2.498 0 40 FEAB O=C(CCn1cnnn1)Nc1nc2cc(OC(F)(F)F)ccc2s1 8306621 URQMBPWIWPCCID-UHFFFAOYSA-N 358.305 2.210 0 40 FEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)NCc1ccc(F)cc1 8775448 HVNRIRINFBTEGW-SNVBAGLBSA-N 351.403 2.494 0 40 FEAB CC/C(NN1CCCCC1)=C1/C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 8969326 AESJNZVXICECOS-FOCLMDBBSA-N 372.425 2.137 0 40 FEAB O=C(COC(=O)c1cccc(Br)c1)NC(=O)c1ccco1 9112753 IBHLNCRQEPRJRE-UHFFFAOYSA-N 352.140 2.156 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 9762782 BTLRXEVJFACBFG-SECBINFHSA-N 351.350 2.140 0 40 FEAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1nnc[nH]1 10028464 YBABISCJZHIQGN-UHFFFAOYSA-N 357.443 2.422 0 40 FEAB Oc1cccc([C@@H]2c3c(-c4ccccc4)nnc(O)c3Nc3nnnn32)c1 10232563 DQCXJOOFUDXXKT-MRXNPFEDSA-N 359.349 2.236 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 10334567 RHYRAWYKEUBKJD-INIZCTEOSA-N 362.451 2.039 0 40 FEAB Cn1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccccc21 10548560 HKZGTDUWCSLJLU-UHFFFAOYSA-N 357.435 2.480 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)c1 12365051 UYVNCTMHLLJPJW-CQSZACIVSA-N 351.410 2.310 0 40 FEAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CCCC2 12377634 GKHZIYMXMPZPDD-TXEJJXNPSA-N 366.483 2.461 0 40 FEAB Cn1c(=O)c2ccccc2n2c(COc3ccc4ccc(=O)oc4c3)nnc12 12534083 UGHAZIRWGWFXBJ-UHFFFAOYSA-N 374.356 2.267 0 40 FEAB CCn1c(SCC(=O)NCC(F)(F)F)nc2ccsc2c1=O 12910969 IBXRJOLVXUAYEU-UHFFFAOYSA-N 351.375 2.249 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 13266842 IOUNEFZHTCHXTL-CQSZACIVSA-N 366.400 2.427 0 40 FEAB COC(=O)c1c(COC(=O)c2nccnc2N)nc2ccccc2c1C 14060182 UYAATVVWCOYJAH-UHFFFAOYSA-N 352.350 2.059 0 40 FEAB CCOC(=O)C1=C(COc2ccccc2Br)NC(=O)N[C@@H]1C 14070770 WBGXZZOUBUXSJB-SECBINFHSA-N 369.215 2.346 0 40 FEAB Cc1cccc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1 14093453 SJZCCDVWRCGJEV-UHFFFAOYSA-N 373.482 2.489 0 40 FEAB O=C(COc1cccc(F)c1)NCc1ccc(CN2CCOCC2)cc1 14181287 OUQZRSCNPZRVDU-UHFFFAOYSA-N 358.413 2.353 0 40 FEAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)c2ccsc2)n1 14251196 QBLDSIZWKWSYOH-UHFFFAOYSA-N 371.422 2.445 0 40 FEAB O=C(NCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1 24442856 FINWIGBPABHPRX-UHFFFAOYSA-N 363.222 2.295 0 40 FEAB COc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(OC)c1 24593161 GYNHGPVUQQFMPV-UHFFFAOYSA-N 353.371 2.499 0 40 FEAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(Nc2ncccn2)c1 24785930 VSOSWALQYCMKAZ-UHFFFAOYSA-N 358.365 2.448 0 40 FEAB COc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1 29086154 MWETUUVGGZBFBW-UHFFFAOYSA-N 368.842 2.057 0 40 FEAB Cn1cc(/C=C/C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c(=O)n(C)c1=O 32380900 LVLFGIPCOIVULF-FLVLSHQESA-N 369.465 2.391 0 40 FEAB CC(=O)c1cc(F)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32623374 ROOBCHLNQNJSCP-UHFFFAOYSA-N 372.761 2.094 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1ccc2c(c1)OCO2 32754013 NHAFAOICSBBJBJ-UHFFFAOYSA-N 370.405 2.420 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)s2)cs1 32772463 YDGTZOAZKUNZJS-SNVBAGLBSA-N 356.494 2.231 0 40 FEAB Cc1c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C 40087732 ZFFYGRZJMZFBPZ-GJZGRUSLSA-N 356.470 2.268 0 40 FEAB O=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCCCC1 40162243 LJSTVZDOAAIDGG-UHFFFAOYSA-N 365.905 2.349 0 40 FEAB CCOC(=O)Cc1cccc(-c2nn3c(CC(=O)OCC)nnc3s2)c1 41127002 BYBHTIDWZMGTCX-UHFFFAOYSA-N 374.422 2.064 0 40 FEAB CCN1CCN(CCCNC(=O)c2cc(F)ccc2Br)CC1 41442667 BBRBNIOLTKXWHJ-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB O=S(=O)(NCC1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 43955487 JMUIGESYAWNHDZ-UHFFFAOYSA-N 372.903 2.386 0 40 FEAB Cc1ccc(C)c(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)N(C)C)c1 44950003 OKYPTYALPISGFK-OAHLLOKOSA-N 367.515 2.175 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 48194218 QDWFBLVTWFJPDW-HZPDHXFCSA-N 371.441 2.459 0 40 FEAB Cc1ncsc1C(=O)NC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 50804991 OKNKHEXFOXXKIS-UHFFFAOYSA-N 369.450 2.362 0 40 FEAB C[C@@H](Cc1c(F)cccc1F)NC(=O)Cn1c(=O)n(C)c2ccccc21 55496154 ZARKFVIMYNBRLL-LBPRGKRZSA-N 359.376 2.366 0 40 FEAB CO[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1 56468873 OODUEIIOFVJYQW-SFHVURJKSA-N 367.380 2.489 0 40 FEAB C[C@H](C(=O)Nc1nnc(SCc2cccs2)s1)S(C)(=O)=O 58209751 CKPTWSNKEZSBHI-SSDOTTSWSA-N 363.511 2.264 0 40 FEAB O=S(=O)(NCc1ccccc1N1CCOCC1)c1c(F)cccc1F 58379861 VXRGCAUNNGVWAH-UHFFFAOYSA-N 368.405 2.280 0 40 FEAB C[C@@H]1CCN(C(=O)COC(=O)c2cc3c([nH]c2=O)CCC3)[C@H]2CCCC[C@@H]21 61449068 JRUQWKXGNRZIFA-SIIHOXLZSA-N 372.465 2.448 0 40 FEAB O=C(c1ccc(=O)[nH]c1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637086 CHLFYMKXKLMKLJ-UHFFFAOYSA-N 356.769 2.318 0 40 FEAB CCOc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)nn1C 71195541 RSKVHXAVIZZWNO-CQSZACIVSA-N 366.425 2.207 0 40 FEAB Cc1n[nH]c(Cc2ccc(-n3ccnc3-c3cnc(N(C)C)nc3)cc2)n1 71756819 FPLPHMACHBXMDU-UHFFFAOYSA-N 360.425 2.413 0 40 FEAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241271 UUTACKJWLPUQIZ-IRXDYDNUSA-N 362.813 2.490 0 40 FEAB COc1ccc(C2(CNC(=O)c3cc(=O)c(OC)co3)CCOCC2)cc1 72326015 WFDUMCOHOCAZHX-UHFFFAOYSA-N 373.405 2.135 0 40 FEAB biogenic CN1CCN(c2ncc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 75161856 BDUHVKRJRKKLKL-UHFFFAOYSA-N 365.359 2.500 0 40 FEAB Cn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n(C2CC2)c1=O 77148605 CZPISIVDJCTTDT-UHFFFAOYSA-N 358.417 2.005 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1CO)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 79096714 RYZCJWPAZOOCMB-KZNAEPCWSA-N 368.433 2.124 0 40 FEAB O=C(NCCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O 79489465 FPEYMXRAVMTGAF-UHFFFAOYSA-N 367.796 2.197 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)C[C@@H](C)O1 84706144 NXRKTRXVHNBHFY-NBMJBFSESA-N 366.477 2.139 0 40 FEAB CCN(C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 89960844 QIRJBVMORQZHHD-VXGBXAGGSA-N 358.408 2.334 0 40 FEAB CSc1ccccc1NC(=O)CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1 95457376 QCPVINPCMXLKSV-GOSISDBHSA-N 363.483 2.254 0 40 FEAB CC[C@H](C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H](C)CC 95992956 XDBXTZRDBHFNIV-AJNGGQMLSA-N 369.506 2.299 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cnn(C)c4C)C3)nn2)cc1 95998036 LZQCJQLYIDBHJO-UHFFFAOYSA-N 366.425 2.083 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2 96045011 XZLYKXLXLXHHLK-QGZVFWFLSA-N 359.470 2.255 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)cc1 108527500 BFIJEAOUXPENMM-MRXNPFEDSA-N 352.500 2.259 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1ccccc1)O2 219398339 KUVLXWYJDCNTKK-RDTXWAMCSA-N 374.462 2.399 0 40 FEAB COc1ccc(OCCNC(=O)COc2cc(OC)cc(OC)c2)cc1 224254931 XVYOMLNWKHXLDU-UHFFFAOYSA-N 361.394 2.286 0 40 FEAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1C 224386740 RTAPUFVYYGEKAA-UHFFFAOYSA-N 359.454 2.156 0 40 FEAB Cc1ccc2c(c1)O[C@H](C(=O)NCC1=CCCCC1)CN2S(C)(=O)=O 224486061 APVHWDXKECOBJN-KRWDZBQOSA-N 364.467 2.139 0 40 FEAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc2c(c1)CCO2 225625165 LVZDTDPXVRKFBE-IBGZPJMESA-N 374.462 2.463 0 40 FEAB C[n+]1cc(Br)cc(-c2nn3c(C(F)(F)F)nnc3s2)c1 226774097 MJGIZAAGZOKOAD-UHFFFAOYSA-N 365.158 2.459 0 40 FEAB CCN(CC)C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn2C1 247865024 AHEMPBSGMBTUQG-GOSISDBHSA-N 370.497 2.435 0 40 FEAB Cn1cc(C(=O)N2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)cn1 248121883 KMMQPQUONXPNLX-KRWDZBQOSA-N 370.453 2.296 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248141197 TZRBXQWYADTCCI-QGZVFWFLSA-N 369.469 2.201 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cccnc2)C1 257274306 NKKVIVLCSFQPLL-ZDUSSCGKSA-N 353.451 2.435 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257276372 NTKGMEIHMWGBHV-GOSISDBHSA-N 359.470 2.467 0 40 FEAB Cc1noc(C)c1CCC(=O)NCc1nccnc1C1CCN(C)CC1 257302451 SCZMCHBFZPZJDB-UHFFFAOYSA-N 357.458 2.140 0 40 FEAB Cc1nnsc1C(=O)N[C@@H]1CCCC[C@]12CN(CC(C)C)CCO2 306138011 RMPBTZSXHQRNAO-PBHICJAKSA-N 352.504 2.246 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408600640 BOXPWPZHHQEJFP-NSHDSACASA-N 352.387 2.140 0 40 FEAB COc1ccc(Br)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 409279279 HEJKORORQDHTDR-NFFDBFGFSA-N 364.195 2.291 0 40 FEAB O=C(C[S@](=O)Cc1cnc(-c2ccccc2)nc1)NCC(F)(F)F 517247523 NXXSFTQBJIZLAE-XMMPIXPASA-N 357.357 2.071 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2cnc(CC3CC3)nc2)c2ccccc21 560142883 VXKPICMCAWHVDW-UHFFFAOYSA-N 351.410 2.204 0 40 FEAB COc1cc2c(cc1OC)CCN(C(=O)c1cn3nccc3nc1C)CC2 572210138 LKGOMVLGZVLBLF-UHFFFAOYSA-N 366.421 2.296 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NCc1ccc(-c2ccco2)o1 575611806 XNYPXMPDTKRYGF-UHFFFAOYSA-N 354.362 2.481 0 40 FEAB Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583619012 ULORGOLQSHQKIJ-SFHVURJKSA-N 359.430 2.157 0 40 FEAB CN(C)C(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585099039 FJXXOZHRVPMGEY-INIZCTEOSA-N 355.438 2.327 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)Cc3ccc(C)cc3)CC2)C1 585104021 VGEAVTZKDVZFPU-FQEVSTJZSA-N 374.525 2.371 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)C1CCOCC1 585111326 OONWXCYNFCWBKY-GOSISDBHSA-N 355.438 2.088 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Cc1ccc(F)cc1 585275421 ANNIZZZHIXETSK-SJLPKXTDSA-N 358.413 2.244 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C1 585277071 RTFJXPVZMURGTR-HXUWFJFHSA-N 353.422 2.318 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2CCCc3scnc32)CC(=O)N1C 623970570 UKIMMKQPXNPYOB-VEVIJQCQSA-N 359.499 2.432 0 40 FEAB O=C(C[C@H]1OCCc2ccccc21)N1CCN(CCc2ccncc2)CC1 636296699 IYTYSTNJOKCQNG-OAQYLSRUSA-N 365.477 2.472 0 40 FEAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCC[C@@H]1CO 677573465 GVLJKBUKYJKUMV-GRIAEXQCSA-N 362.514 2.376 0 40 FEAB CN(C)c1cccnc1CNC(=O)c1ccc(N2CCOCC2)c(F)c1 685896190 KUOJYCZGYIUPHH-UHFFFAOYSA-N 358.417 2.053 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)nc1Cl 1309672079 ZUFSTOAYTZYNQA-CQSZACIVSA-N 365.842 2.239 0 40 FEAB CO[C@@H]1CCN([C@H]2CCC[C@H]2NCCC(=O)N2CCc3ccccc32)C1 1775959552 FZDFACDOTVLLSX-GGPKGHCWSA-N 357.498 2.197 0 40 FEAB Cc1cc(C(=O)NCC2(NC(=O)c3c(C)noc3C)CCCCC2)n(C)n1 1775997048 SFSXHNKTGCBSRO-UHFFFAOYSA-N 373.457 2.196 0 40 FEAB CCc1ncnc(OCC2CCN(c3ncnc4c3ncn4C)CC2)c1F 1888897673 ZTNFACZAAUEURU-UHFFFAOYSA-N 371.420 2.150 0 40 FEAB CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3ccncc3)C2)nc1C 1889179478 KFAGUIIJZCRDNI-OAHLLOKOSA-N 364.471 2.086 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3ccsc3)CC2)cc1 23254147 FPLREKDDPMNSJE-UHFFFAOYSA-N 372.494 2.463 0 40 FEAB Cc1noc(C)c1COc1cccc(C(=O)NCCCS(C)(=O)=O)c1 47696007 DIYVUYRUIHXDMA-UHFFFAOYSA-N 366.439 2.035 0 40 FEAB COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 1052310 PNHMUFAURHIVMW-OAHLLOKOSA-N 353.827 2.403 0 40 FEAB CCN(Cn1nc(-c2ccccc2F)oc1=S)[C@@H]1CCS(=O)(=O)C1 24177577 ITYWUTALRYEAKE-LLVKDONJSA-N 371.459 2.478 0 40 FEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213557 UPUJMJBKVKKHFS-ZOWXZIJZSA-N 360.332 2.121 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCCN(C)CC(F)(F)F)cc1C 95364790 QTWOFKGISXVBJB-UHFFFAOYSA-N 368.421 2.475 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 8158279 CELKCVQDPOODPF-UHFFFAOYSA-N 372.805 2.405 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1nc(C4CC4)no1)(C3)C2 55705050 DBGCOOIFSHCMJA-NFAYLAGKSA-N 358.442 2.038 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)o1 56276779 IFIBEZFIDPIYRL-LBPRGKRZSA-N 368.842 2.428 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 25619226 YSPGNMNBAGULJC-GOSISDBHSA-N 371.437 2.364 0 40 FEAB COC(=O)c1cccc(C(=O)NCc2cccc(N3CCOC3=O)c2)c1 56964694 HSKBOSYPKNWCFM-UHFFFAOYSA-N 354.362 2.360 0 40 FEAB CC(=O)NCC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 57172579 XSARXJNZHJXDLR-UHFFFAOYSA-N 357.498 2.273 0 40 FEAB Cc1cc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)no1 58311827 QQDZIWHKRGNZJY-UHFFFAOYSA-N 356.470 2.311 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@H]3C1=O 102094906 YCNSXBIJSKDORK-PFRQMTDMSA-N 357.406 2.181 0 40 FEAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 12858655 CKJIWRWCYXTPDH-OXQOHEQNSA-N 372.396 2.341 0 40 FEAB Cc1ccc2c(COC(=O)c3ccc(-n4cnnn4)cc3)cc(=O)oc2c1 3416526 OPBMWFPKTRXKKH-UHFFFAOYSA-N 362.345 2.434 0 40 FEAB CC(=O)c1ccc(N2CCN(CCn3c(C)csc3=O)CC2)c(F)c1 52686882 GAUOQHJOTKUJDG-UHFFFAOYSA-N 363.458 2.382 0 40 FEAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(N2CCOCC2)cc1 3507957 GVCHRJWDTKRWGN-UHFFFAOYSA-N 356.378 2.024 0 40 FEAB Cc1cc(CN2Cc3cncn3[C@@H](COCc3ccccn3)C2)n(C)n1 306141335 VSFNKHFNSHDBTL-LJQANCHMSA-N 352.442 2.094 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccccc2OC(F)F)s1 5156175 ZEONVWSSPMTPSI-MXOVAJDFSA-N 353.390 2.262 0 40 FEAB Nc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 6360227 QAGFEQDEBFTTPI-UHFFFAOYSA-N 373.840 2.428 0 40 FEAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2ccco2)n1N 5335538 BMWGREMLQBWLDE-UHFFFAOYSA-N 351.476 2.485 0 40 FEAB CSCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 6433444 FKZVVNHEVYXCJF-UHFFFAOYSA-N 364.492 2.170 0 40 FEAB COC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1OC 4526200 ABBGVXDXNYREEP-ZROIWOOFSA-N 355.346 2.368 0 40 FEAB NC(=O)c1ccc(OCC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 66042694 QDWOJDITCGZSFU-UHFFFAOYSA-N 352.390 2.186 0 40 FEAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 4942560 IXLGEITXVHHXKK-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 4975952 OAFOFDHSHFPPHK-SNVBAGLBSA-N 370.500 2.006 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(C)c3)nc2c1 71768704 BZRIJNRZDNKRNT-UHFFFAOYSA-N 355.419 2.498 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2s1 7471351 GQDNLBKUQMYXFT-KRWDZBQOSA-N 358.423 2.264 0 40 FEAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OCC(=O)O)cc1 71823910 WOLQFJLROGUXCO-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB O=C(NC1CCCCC1)c1nc(-n2cnnc2)ccc1Br 21721311 RISUQNGZOIUPPN-UHFFFAOYSA-N 350.220 2.487 0 40 FEAB CC(C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 8707867 FNDLJKVYNHEJQN-UHFFFAOYSA-N 365.282 2.482 0 40 FEAB CON(C)C[C@H](O)Cn1cc(NCc2cnc(C(C)(C)C)s2)cn1 95462152 CUUOTEAPSDXARG-ZDUSSCGKSA-N 353.492 2.103 0 40 FEAB Cc1noc([C@H](NCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)n1 95463375 ORBOXIBUZKMODG-NJZAAPMLSA-N 351.451 2.069 0 40 FEAB O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cccc(-n2ccnn2)c1 89780895 YQLYECRVIBVAIP-CQSZACIVSA-N 368.828 2.324 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1ccn(Cc2cccc(F)c2)n1 28304630 OIDSOWHSJLCJLT-UHFFFAOYSA-N 350.357 2.454 0 40 FEAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 306125029 CFARSWXRIPCXLJ-PXNSSMCTSA-N 369.444 2.281 0 40 FEAB COc1ccc(CCCNS(=O)(=O)c2c(C)noc2C)cc1OC 64938481 MWKHATFQIYNQMB-UHFFFAOYSA-N 354.428 2.220 0 40 FEAB Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)cc1C 56327901 JXLMIDNBJMWROU-UHFFFAOYSA-N 373.522 2.404 0 40 FEAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 529779201 AMRWZUXRSMXMDO-MGPUTAFESA-N 355.438 2.087 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCN(Cc2ccsc2)CC1 533809515 UMNQQGOGVYCZIY-UHFFFAOYSA-N 369.454 2.074 0 40 FEAB O=C(NCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 73743376 UHZYWFAMNALMQQ-UHFFFAOYSA-N 365.433 2.266 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1 70968618 TZLTWYVTTMZCEW-HXUWFJFHSA-N 354.406 2.048 0 40 FEAB COc1cccc(NC(=O)COc2c(OC)cc(C(=O)O)cc2OC)c1 217733101 YORINQKLXYBJJQ-UHFFFAOYSA-N 361.350 2.428 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1O 72210871 STYMILWPRHLWIS-UHFFFAOYSA-N 357.229 2.370 0 40 FEAB Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1569822874 QJOKLFQWQCWUIQ-UHFFFAOYSA-N 351.410 2.406 0 40 FEAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 45866006 PLDQMVJPONDZKE-LBPRGKRZSA-N 351.449 2.230 0 40 FEAB O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cnc2n1CCCC2 575850207 BPWLPIUBMMBFIX-UHFFFAOYSA-N 370.428 2.393 0 40 FEAB O=S(=O)(Nc1n[nH]c2cccc(F)c12)c1cnn(C2CCOCC2)c1 137182275 OBZYNHAIRGBESK-UHFFFAOYSA-N 365.390 2.051 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(F)cc2)cc1 224344492 RFUKSBKWPUMWGR-UHFFFAOYSA-N 367.398 2.111 0 40 FEAB COc1ccccc1NC(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49483216 WWXYLGNQYKGKCY-UHFFFAOYSA-N 352.354 2.167 0 40 FEAB O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cc[nH]n1 85470787 RSGFTOULYUUQPB-GFCCVEGCSA-N 352.373 2.015 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)C)cc2)cc1 224436076 QZOCAPRDMTZJNL-UHFFFAOYSA-N 362.451 2.218 0 40 FEAB CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@@H]1CCCO1 583623757 HNVAMJXOCCCKED-NEPJUHHUSA-N 360.380 2.285 0 40 FEAB COCC1CCN(C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)CC1 578195220 VBPLRDBBIIELLU-UHFFFAOYSA-N 350.369 2.353 0 40 FEAB Cn1cccc1C(=O)N1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254116 NQXYTLZKQJEZML-UHFFFAOYSA-N 366.469 2.188 0 40 FEAB Cn1cc(CN2CC[C@]23CCN(c2nccc(C(F)(F)F)n2)C3)cn1 96076112 QHERZIJIIKPGLC-HNNXBMFYSA-N 352.364 2.084 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)c1cccs1 96059794 NPXISCLCDUDLBB-HNNXBMFYSA-N 354.435 2.432 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccccn2)C1 257231608 GHLDVQMKQOFHCI-LLVKDONJSA-N 367.434 2.076 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@@H](CCOc4nccc(C)n4)CCO3)C2)on1 253600610 UMPYRKMGYCEPBH-HNNXBMFYSA-N 372.425 2.172 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)CCc3ccnn3C)CC2)cn1 257287732 PRGWWPVRLDVWIE-HNNXBMFYSA-N 356.474 2.056 0 40 FEAB COc1ccc(-c2nc(CN3C[C@@H](OC)[C@H](c4cnn[nH]4)C3)co2)cc1 621320845 CBPHYFHUCLDWEQ-DOTOQJQBSA-N 355.398 2.083 0 40 FEAB NCc1ncc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cn1 638472301 DMIXFMXOSZCMHK-UHFFFAOYSA-N 365.206 2.035 0 40 FEAB O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CSCN1 638535026 ZXTNACQWGXBADE-ROUUACIJSA-N 367.474 2.162 0 40 FEAB CCn1cnnc1[C@@H]1CN(C(=O)Cc2nsc3ccccc23)CCO1 643828144 UUNCGHSCNWKEBN-AWEZNQCLSA-N 357.439 2.050 0 40 FEAB COc1cc(-c2noc([C@H]3CCc4nnn(C5CCC5)c4C3)n2)ncn1 1775960245 AQFIBOCWTQNQGX-JTQLQIEISA-N 353.386 2.124 0 40 FEAB COc1ccc(CN2CCC(C[C@H]3OCC[C@H]3C(N)=O)CC2)c(F)c1 1775960485 OJXOIWJOHRBORN-SJLPKXTDSA-N 350.434 2.327 0 40 FEAB C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096506 RCHQWHHGLVGBOF-GFCCVEGCSA-N 351.410 2.283 0 40 FEAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(C)CC1 585097588 NAYOETDTTSEXBN-INIZCTEOSA-N 357.458 2.326 0 40 FEAB CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 55822373 UDVSEEHCGTWUBD-UHFFFAOYSA-N 370.430 2.003 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 41782132 RWPKOXXLZXJXRV-IAQYHMDHSA-N 360.426 2.328 0 40 FEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 5001320 HRPREGBLPLQEIQ-ZDUSSCGKSA-N 360.439 2.292 0 40 FEAB Cc1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 5986971 PUECYMQLBBFVBG-UHFFFAOYSA-N 370.405 2.333 0 40 FEAB C[C@H](C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)N1CCCC1=O 12086975 MLYRQQWXHALFOW-ZBFHGGJFSA-N 358.438 2.187 0 40 FEAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3cnccn3)C2)on1 12251801 UGSCEIXVSFVSES-NSHDSACASA-N 356.411 2.311 0 40 FEAB CC(C)CNC(=O)NC(=O)COC(=O)/C=C/c1cccc2cccnc12 14811978 JLBHQZPLZGIBDI-CMDGGOBGSA-N 355.394 2.273 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)cn1 19239063 GCNRSBMKIQUNEJ-UHFFFAOYSA-N 351.385 2.233 0 40 FEAB CN(C)CCn1nc([C@H]2CCN(C(=O)c3ccccn3)C2)c2cccnc21 19583271 VNXFTKFDEPBMJP-HNNXBMFYSA-N 364.453 2.018 0 40 FEAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@H]1COc2ccc(Cl)cc2C1 529818815 DJHYMXFCFALXKL-FOIQADDNSA-N 373.836 2.374 0 40 FEAB CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2ccn(C)n2)c1C 12365971 USFXBLRYYMIHJB-HNNXBMFYSA-N 351.476 2.251 0 40 FEAB CCc1nc(N2C[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]3C2)nc(O)c1F 1888875694 FIECHJPEKWKVEK-GASCZTMLSA-N 370.428 2.021 0 40 FEAB CSc1nc(C)cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888875772 HVTAOTNLKNTWKU-HUUCEWRRSA-N 368.462 2.128 0 40 FEAB CCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 4033827 GZWQMMLLCKMLFL-UHFFFAOYSA-N 369.352 2.316 0 40 FEAB O=C(Cc1ccc(F)cc1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 16847387 BNEHDXVNQOWTTP-SFHVURJKSA-N 356.397 2.085 0 40 FEAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)c1 17075029 IQSFZUBNNLWGSZ-UHFFFAOYSA-N 365.341 2.164 0 40 FEAB CN(Cc1ccccc1F)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 23484258 YWIPRHRNDAOKIW-UHFFFAOYSA-N 361.417 2.381 0 40 FEAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)cs1 40005440 SWHBYFYZHSVWMC-HNNXBMFYSA-N 364.492 2.212 0 40 FEAB CN(C)C1(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCCC1 40159457 MSZBUDXOSDOSDM-UHFFFAOYSA-N 352.500 2.226 0 40 FEAB Cc1occc(=O)c1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 40287068 HMYZPVATAPTOPU-UHFFFAOYSA-N 362.813 2.329 0 40 FEAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCCN(C(N)=O)C1 32954218 UHLZHSKUTNVLKI-LBPRGKRZSA-N 359.348 2.334 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cnc3[nH]nc(C)c3c2)CC1 47476988 RIOWOBKSPXCQSN-UHFFFAOYSA-N 351.410 2.237 0 40 FEAB CN(C)C(=O)CSc1nnc(Cc2ccccc2)n1C[C@H]1CCCO1 904447 WJAPAWGFPQYZHA-OAHLLOKOSA-N 360.483 2.228 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3ccc(F)cc3)=NC2=N1 940736 IBDNNSYYEVLJLT-AWEZNQCLSA-N 355.398 2.324 0 40 FEAB CCCCn1c(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc(C)c1C 12520309 NVQCQJQWACOQLD-INIZCTEOSA-N 373.544 2.086 0 40 FEAB C[C@@H]1[C@@H](NC(=O)NC(=O)CSc2nncn2C2CC2)CCC[C@H]1C 105657169 SWWCSHAIKPAPFQ-MDZLAQPJSA-N 351.476 2.356 0 40 FEAB CC(=O)OCC[C@@H](C)OC(=O)CCCCC(=O)O[C@H](C)CCOC(C)=O 4803570 DFTILXVMSQZFGY-ZIAGYGMSSA-N 374.430 2.317 0 40 FEAB C[C@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12553498 UGWVGDNNOSEVGD-AWEZNQCLSA-N 368.437 2.061 0 40 FEAB Cc1cc(NC(=S)NC(=O)/C=C/c2cnn(C)c2)n(-c2ccccc2)n1 8782454 KCLYGNRMOSGCSG-CMDGGOBGSA-N 366.450 2.441 0 40 FEAB Cc1cccc(C(=O)NCCNC(=O)c2cccc(N3CCCC3=O)c2)c1 56032078 OCKXJMHWCNFVFN-UHFFFAOYSA-N 365.433 2.282 0 40 FEAB Cc1c(O)ccc2c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cc(=O)oc12 2098978 NVUSCGNULWDBOO-GOSISDBHSA-N 367.357 2.292 0 40 FEAB biogenic CCOc1ccc2c(c1)CN(C(=O)Cn1cnc3ccccc3c1=O)CC2 58192722 LYRXNEMXWJXUSL-UHFFFAOYSA-N 363.417 2.380 0 40 FEAB C[C@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(F)cc1 58224470 QCSDLAQDCNDQNI-CYBMUJFWSA-N 356.463 2.202 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2cc(OC)ccc2OC)c1 24452629 XFLAJNPLIGNUMD-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 59291052 WMNZULIKZWZYFI-AWEZNQCLSA-N 355.460 2.018 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102530496 RIHYVLZKOCDPCH-QBXQWZBTSA-N 350.418 2.295 0 40 FEAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccn1)C2=O 29517195 KDJZOLQDSBMPDD-UHFFFAOYSA-N 372.469 2.225 0 40 FEAB COC(=O)c1cccc(NC(=O)CN2CCCN(c3nccs3)CC2)c1 60099727 XOKJZOBPPGLMQH-UHFFFAOYSA-N 374.466 2.081 0 40 FEAB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2 2661659 UTJXOSCWJKVLAS-UHFFFAOYSA-N 369.373 2.465 0 40 FEAB COCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 59472911 BWSDIMIDJMTJJB-UHFFFAOYSA-N 362.451 2.029 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1c2ccccc2CC[C@@H]1C 10811661 DQHLJTDAJPGLFX-ZDUSSCGKSA-N 355.438 2.491 0 40 FEAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 3593957 WZUJZVCRENDHCF-QGZVFWFLSA-N 351.834 2.313 0 40 FEAB CCCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)n[nH]c1=O 3534895 DASYAGLOBQNBJS-UHFFFAOYSA-N 362.242 2.414 0 40 FEAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3557304 FNEJMNOWECBJGD-OFZPYADDSA-N 372.446 2.438 0 40 FEAB O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@H](O)[C@H](N2CCCC2)C1 72306032 OAESIMMNXNGIEP-KGLIPLIRSA-N 365.503 2.259 0 40 FEAB COc1ccc(C[C@H](CO)CNC(=O)Nc2nc(C)c(C)s2)cc1O 72304714 KYJGZPBRELTLDS-ZDUSSCGKSA-N 365.455 2.447 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H](CO)Cc1ccc(F)cc1 49351762 UPSLSENWHMFPMW-YOEHRIQHSA-N 360.433 2.087 0 40 FEAB O=C(CSc1nnnn1C1CC1)Nc1ccc(CN2CCCC2)cc1 9218534 HLWUQKVDHWUGMR-UHFFFAOYSA-N 358.471 2.335 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 49961415 JCYDJTNZXMSLSE-UHFFFAOYSA-N 368.436 2.117 0 40 FEAB CCOC(=O)NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 6373541 YVENJPPKCCBHDQ-UHFFFAOYSA-N 363.395 2.185 0 40 FEAB COc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@@](O)(C(F)(F)F)C2)cc1 4478247 QYPHUBOSHWRCGQ-HNNXBMFYSA-N 367.331 2.241 0 40 FEAB CCCOC(=O)CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 72313099 GEEUENHQQVQPSF-UHFFFAOYSA-N 355.334 2.207 0 40 FEAB CCOC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 19604038 BBGQSYHMWLAUOU-UHFFFAOYSA-N 363.439 2.415 0 40 FEAB COc1ccc(NC(=O)[C@@H](N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 14167877 QPWUDXKYPIGMFV-AEFFLSMTSA-N 374.462 2.152 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccccc2OC)n1 6466009 PWSOERIZQHKYQY-UHFFFAOYSA-N 361.467 2.482 0 40 FEAB C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@@H](C)O1 6598741 HJFDSTNLZRCRPS-GYSYKLTISA-N 367.243 2.190 0 40 FEAB CCOCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 9327968 LROLDPWYRSNIRA-UHFFFAOYSA-N 367.427 2.395 0 40 FEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@H]2C=CCC2)c(=O)[nH]c1=O 14633425 BXBKUHHLINAROQ-AWEZNQCLSA-N 362.474 2.264 0 40 FEAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC(C)(C)C)C3=C2C(=O)OC3)c1 67288861 QBECAIKRDWUXAA-QGZVFWFLSA-N 371.437 2.095 0 40 FEAB COc1cc(OC)nc(NC(=O)COC(=O)c2c(C)cc(C)cc2C)n1 9414722 IODCKYIUHVGLMC-UHFFFAOYSA-N 359.382 2.215 0 40 FEAB CCOc1ccccc1-n1nnc(C(=O)NCc2cccc(OC)c2)c1N 9575877 USYSTNCFRRMREA-UHFFFAOYSA-N 367.409 2.187 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1Br 8212520 QKBAATUTBJUSDP-UHFFFAOYSA-N 369.244 2.400 0 40 FEAB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)NCc3nnc4ccccn34)CC2=O)[C@@H]1C 8389276 IURXCPBXOBBIJT-FPCVCCKLSA-N 369.469 2.019 0 40 FEAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1CCS(=O)(=O)C1 8547527 JVVGLIHMJNDRLP-LLVKDONJSA-N 366.391 2.087 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCCCCC1 23404176 ZOGYTAPPRSYZCZ-UHFFFAOYSA-N 362.499 2.484 0 40 FEAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@H]1Cc2ccccc2O1 69496502 SGXQAQBMWZYVEP-UYAOXDASSA-N 352.434 2.180 0 40 FEAB O=C(CCCC1CCCCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 39985492 NHEDJJSNLWLHSP-KRWDZBQOSA-N 356.532 2.068 0 40 FEAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cc2cccnc2)CC1 72338383 XLKMDLPHWMRIDG-UHFFFAOYSA-N 360.417 2.416 0 40 FEAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CN(C)C)C2)cc1 72346183 FLYKOPKCBLEEGI-OAHLLOKOSA-N 369.469 2.002 0 40 FEAB O=C(COc1ccc(F)cc1)NCC1CCN(C(=O)c2ccncc2)CC1 70925843 GWBCRAFXKIVLFR-UHFFFAOYSA-N 371.412 2.268 0 40 FEAB CCn1ccc(-c2cc(C(=O)OC)c3c(=O)[nH]c(=S)n(CC)c3n2)n1 36617297 AFJHRRIWDKPKPK-UHFFFAOYSA-N 359.411 2.144 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3O)C2=O)cc1 210838777 HKFVPBKVLLPISE-XNTDXEJSSA-N 351.362 2.232 0 40 FEAB COc1cc(NC(=O)NCc2nccc(N3CCCC3)n2)cc(OC)c1 224152999 DQCKGSOBDWEIDF-UHFFFAOYSA-N 357.414 2.416 0 40 FEAB CCOc1ccc(C(=O)NC)cc1CN(C)S(=O)(=O)c1ccccc1 224808741 ACIQIWRCKFGILN-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCCSC[C@H]1CN1CCOCC1 85473354 OADLFTACZPOKNK-QGZVFWFLSA-N 352.475 2.035 0 40 FEAB COCCN1C(=O)C2(CCC(C(=O)Nc3cccc(OC)c3)CC2)N=C1C 96261372 OQGRSCRILYGDTM-UHFFFAOYSA-N 373.453 2.470 0 40 FEAB CN1CCN(c2ncc(CN3Cc4ccccc4OC(C)(C)C3)cn2)CC1 585084668 LGFLTCVFQZAHJC-UHFFFAOYSA-N 367.497 2.402 0 40 FEAB CN(C)[C@H]1CC2(CCN(C(=O)/C=C/c3ccccc3)CC2)OC[C@]1(C)O 257299113 ROUBWKBTFQORIU-SQBFZWKISA-N 358.482 2.163 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(CN)C(=O)O)cc1 252513877 ANFAEMZBMOTOPN-JZXOWHBKSA-N 363.410 2.104 0 40 FEAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 260720714 SWIUEZPLOPDMIP-STQMWFEESA-N 365.503 2.187 0 40 FEAB C[C@@H](N)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1 659525426 GKRAKEFUVKSXMO-CXAGYDPISA-N 352.438 2.093 0 40 FEAB Cc1sc2nc(-c3cccnc3)nc(N3CCO[C@H](C(N)=O)C3)c2c1C 1167074714 DFNOIYUEBSYBRH-ZDUSSCGKSA-N 369.450 2.061 0 40 FEAB O=C(CCc1cccs1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 685834692 RYMZRULUPPGESV-OAHLLOKOSA-N 364.492 2.292 0 40 FEAB CC(C)O[C@@]1(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CCOC1 1616037382 AGEZATGKMCZACF-KRWDZBQOSA-N 352.435 2.069 0 40 FEAB Cc1cc2cc(NC(=O)N3CCC[C@H](n4ccnn4)C3)ccc2n(C)c1=O 645010242 HGUDLKQALBGYHT-INIZCTEOSA-N 366.425 2.307 0 40 FEAB CNC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3Cl)CC2)cn1 646192456 VLQMAMDENYQOMG-UHFFFAOYSA-N 372.856 2.447 0 40 FEAB Cn1cc(C(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)nn1 96119699 IYTUQTQHRJSEHL-UHFFFAOYSA-N 350.338 2.301 0 40 FEAB CCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1 585270527 LTYXXXHNSTVGRX-NRFANRHFSA-N 371.481 2.228 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@@H]32)cc1 585109271 FUCWRMZCHPTPMD-CMKODMSKSA-N 368.433 2.063 0 40 FEAB O=C(CNC1(CO)CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 69247000 GXKIMUYTXSYLTQ-HXUWFJFHSA-N 368.477 2.218 0 40 FEAB Cc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)c2c1 5347801 XSVSOEAUNHTAIW-UHFFFAOYSA-N 358.375 2.001 0 40 FEAB COCCNCc1c(Cl)nc2ccc(OC)cc2c1N1CCOCC1 12186143 VZUUETHCNOUHHD-UHFFFAOYSA-N 365.861 2.469 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C(=O)OC 12615534 LKBFHCPWHVDKIP-OAHLLOKOSA-N 361.467 2.134 0 40 FEAB CC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 12787570 PXNBOTWBYUCNBB-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1C(=O)Cc1cccs1 13266446 DOBSOGFKOBARFA-OAHLLOKOSA-N 370.430 2.103 0 40 FEAB CCc1ccc(C(=O)N2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1 19522867 MADFAIXRPRTPTE-UHFFFAOYSA-N 352.438 2.131 0 40 FEAB CN1CCN([C@@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 19589915 RNOQCEXAALXXRZ-FQEVSTJZSA-N 362.481 2.253 0 40 FEAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)n1 19594320 ACESBYBCWNQSTQ-HNNXBMFYSA-N 373.453 2.313 0 40 FEAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 162351309 AVJCCYHTXBEUCD-YVEFUNNKSA-N 356.426 2.105 0 40 FEAB NC(=O)[C@H](Sc1nnc(COc2ccccc2F)n1N)c1ccccc1 10420520 PXAGSWBOAPQZKH-OAHLLOKOSA-N 373.413 2.029 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 4476934 YBJUFWQQLJAPHA-NBQZKYEYSA-N 357.454 2.457 0 40 FEAB O=C(c1ccncc1F)N1CCC(COc2ccc3nccn3n2)CC1 1888879201 MFAGSVFPYPNFDZ-UHFFFAOYSA-N 355.373 2.195 0 40 FEAB Cc1cc(CN2CCN(c3cc(O)nnc3-c3ccccc3)CC2)on1 1852129502 LSIZLNXSWKQDCI-UHFFFAOYSA-N 351.410 2.468 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(-c2nnco2)c1 24696215 KHCIZIINFSCYJX-HUUCEWRRSA-N 368.393 2.240 0 40 FEAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909263 JPAWNGINYFLTGW-FQEVSTJZSA-N 373.428 2.474 0 40 FEAB Cc1nc2ccc(N3CCN(Cc4cn5ccccc5n4)CC3)nn2c1C 2087048805 MICXMHLQLDGAEA-UHFFFAOYSA-N 361.453 2.316 0 40 FEAB Cc1c(Cl)cccc1C(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCC2CC2)C1 1565554906 JXUCOOZCEDYVRR-FRFSOERESA-N 362.857 2.404 0 40 FEAB Cc1oncc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565542992 SUVYEMWLFIPFFU-KRWDZBQOSA-N 352.394 2.272 0 40 FEAB Cc1ncnc(OCC2CCN(c3ncnc4c3cnn4C)CC2)c1C 1565520675 DEHXODWSQNHRSF-UHFFFAOYSA-N 353.430 2.066 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)N3CCC(C)CC3)CC2=O)cc1OC 5201934 JLTZOSUYDIFMSN-CQSZACIVSA-N 361.442 2.251 0 40 FEAB O=C(NCc1cccs1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9065672 RRIIYZTVQVDNOO-LBPRGKRZSA-N 373.434 2.329 0 40 FEAB COCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613141 WUGMCXVOBORDOS-UHFFFAOYSA-N 360.435 2.019 0 40 FEAB O=C(NCCCn1nc(-c2cccnc2)ccc1=O)c1ccc(F)c(F)c1 11745430 JJYWVDUJZHUYBS-UHFFFAOYSA-N 370.359 2.404 0 40 FEAB Cc1ccsc1-c1nnc(S)n1-c1ccc(S(N)(=O)=O)cc1 12323423 NTIIEMUSHBUFKU-UHFFFAOYSA-N 352.466 2.240 0 40 FEAB Cc1cccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772382 DRWOKPNFMKJBEY-UHFFFAOYSA-N 352.438 2.055 0 40 FEAB CCOc1ncccc1CNC(=O)c1coc(NC(=O)c2ccncc2)n1 211072834 BDKZSVNMWCPDLJ-UHFFFAOYSA-N 367.365 2.046 0 40 FEAB O=C(CSCc1ccccc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217782545 HZGBEQPUWQTHGU-CYBMUJFWSA-N 350.465 2.216 0 40 FEAB Cc1nn(CCNC(=O)c2cccn(C)c2=O)c(C)c1-c1cccs1 575613283 ZACZHMPXTZUBQU-UHFFFAOYSA-N 356.451 2.357 0 40 FEAB CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19533026 GZODYSKOYQJXTE-IBGZPJMESA-N 366.465 2.427 0 40 FEAB Cn1cc(-c2nc(C(=O)NCCc3cn4ccccc4n3)cs2)cn1 40144480 GIGZJIIJURUNQI-UHFFFAOYSA-N 352.423 2.164 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 102243989 MKJSABMEFJYXED-OKILXGFUSA-N 368.389 2.069 0 40 FEAB O=C(Cc1ccccc1)NCC(=O)N1CCC(CN2CCCCCC2)CC1 32928008 MLHOYFOUUIWLIO-UHFFFAOYSA-N 371.525 2.460 0 40 FEAB CCOC(=O)N1CCN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 22087457 NGDGDCGGEUGHIB-NSHDSACASA-N 364.471 2.437 0 40 FEAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)cc1 22280980 SSLVFAJXTAWWPB-UHFFFAOYSA-N 373.359 2.460 0 40 FEAB COC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22787325 USMRZZIKAHMWJO-FQEVSTJZSA-N 368.433 2.447 0 40 FEAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(N2CCOCC2)nc1 47420253 BPDOBRNNVQHDCG-UHFFFAOYSA-N 367.384 2.495 0 40 FEAB CC(C)[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 1642745 RVGUTUVGUGJBBY-MRXNPFEDSA-N 364.442 2.395 0 40 FEAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccccc2F)CC1 24165559 DSBAUIZWBQGZFC-AWEZNQCLSA-N 370.428 2.074 0 40 FEAB OC[C@@H](O)[C@@H](O)[C@@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4962298 OORRNQJYAWSLHU-OIISXLGYSA-N 357.233 2.200 0 40 FEAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 4965757 GCYCJSJRZHOEKF-UHFFFAOYSA-N 374.437 2.426 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 7184315 ZVWGIAKDPIGYCA-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB COC(=O)COc1cccc(NC(=O)CN(C)C(=O)c2cccs2)c1 25468767 VJYDOAHLXPCBGI-UHFFFAOYSA-N 362.407 2.011 0 40 FEAB COCc1nn2c(O)cc([C@@H]3CC(=O)N(C)C3)nc2c1-c1ccccc1 100775648 BPJOBJPFTAIWOL-CYBMUJFWSA-N 352.394 2.194 0 40 FEAB COCCN(C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)[C@H](C)COC 107089805 NMUKMCSWBPJXPG-JFIYKMOQSA-N 362.470 2.106 0 40 FEAB COc1c(Cl)cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 25676185 LFJKMFJHSVURKO-SECBINFHSA-N 352.239 2.261 0 40 FEAB O=S(=O)(c1ccc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)nc1)N1CCOCC1 107335831 BCXSQMKQGLHQDX-HRCADAONSA-N 365.499 2.341 0 40 FEAB O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCC2(CC1)OCCO2 56637017 HORFXPNMVWYKJH-NSHDSACASA-N 356.831 2.260 0 40 FEAB O=C(NCc1ccco1)[C@H]1CCCN1CCC(=O)N1CCc2ccccc21 26135007 KKUHKZLHVLMMBK-LJQANCHMSA-N 367.449 2.340 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 12567960 NYUNTTJDBRUQAI-UXLLHSPISA-N 357.454 2.329 0 40 FEAB COc1ccccc1N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 57363847 OSPWMZUOCBQVFY-UHFFFAOYSA-N 365.477 2.402 0 40 FEAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)Cc2nonc2C)c1 100112242 KCEOYCYUDAUBKF-SUNYJGFJSA-N 357.410 2.388 0 40 FEAB Cc1csc2nc(CNc3ccccc3CS(C)(=O)=O)cc(=O)n12 58192354 AVQCNWBBJWTQNT-UHFFFAOYSA-N 363.464 2.221 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)N(CCOC)[C@@H]2CCSC2)cc1 58214953 OIJGNQGFGRPERD-CQSZACIVSA-N 372.512 2.178 0 40 FEAB Cn1cc(/C=C/C(=O)NCc2cn3cc(Br)ccc3n2)cn1 58225744 XPCIUXSUVBTMOR-GORDUTHDSA-N 360.215 2.160 0 40 FEAB COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)NC(C)C 10627418 ZKNXTYPURKNSBN-UHFFFAOYSA-N 369.468 2.399 0 40 FEAB O=C(NCCCOCCc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 54594418 BRTZDKHRRYGYOU-LJQANCHMSA-N 368.481 2.459 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 28276555 SHRYTCVKHMQLAR-ZDUSSCGKSA-N 360.863 2.491 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(N(C)C)nc1 28877384 MNJJJDFMYFBHFN-UHFFFAOYSA-N 353.470 2.460 0 40 FEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 59291054 WMNZULIKZWZYFI-CQSZACIVSA-N 355.460 2.018 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCOc4ccccc43)ccc21 36763860 SHMTUJBIXOVNRK-UHFFFAOYSA-N 358.419 2.048 0 40 FEAB COC(=O)C1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 3344045 JXVVFBRQCDGMGB-UHFFFAOYSA-N 361.467 2.248 0 40 FEAB COc1cccc(CN(C)C(=O)Cn2c(-c3cccs3)noc2=O)c1 60212799 RGIGOLJYFFPVFT-UHFFFAOYSA-N 359.407 2.232 0 40 FEAB C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 29987193 SAUVAMJFSRFSGX-WFASDCNBSA-N 360.433 2.316 0 40 FEAB CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1 28243319 GOOBHVNXYIZDPH-UHFFFAOYSA-N 357.370 2.043 0 40 FEAB COc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1C(=O)O 13393258 AZCUPBUTZIIHOZ-UHFFFAOYSA-N 357.362 2.485 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 13865735 CXRSFBQIKMGEJL-OKILXGFUSA-N 371.437 2.188 0 40 FEAB COc1ccc(-n2cnnc2SCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 6622947 VYSGVECBPIZTNM-CHWSQXEVSA-N 362.455 2.004 0 40 FEAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 4743064 XPRPQLOYGOBESH-IZZDOVSWSA-N 368.773 2.115 0 40 FEAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1C1CC1 6842798 FVSDSUJLWQXQAN-OAHLLOKOSA-N 358.467 2.385 0 40 FEAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc(N)cc(N)n1 9338673 TVYUKYXTLXJPCF-UHFFFAOYSA-N 358.471 2.280 0 40 FEAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(F)(F)F 6947377 IOBXCJIHJSIQBL-UHFFFAOYSA-N 374.344 2.336 0 40 FEAB O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCCO2 20035225 JNVWIQBJLQIHOJ-UHFFFAOYSA-N 371.418 2.122 0 40 FEAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1c2ccccc2C[C@H]1O 67645859 CMJZPAANCJHAQJ-RTBURBONSA-N 366.396 2.469 0 40 FEAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 8132001 MGYGPXIFJUHKJG-LBPRGKRZSA-N 354.472 2.444 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2C2CC2)n(-c2ccccc2)n1 8313847 IWCSGDKKXGYJIE-UHFFFAOYSA-N 355.427 2.233 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 8791908 YEGNXXVWGXINLJ-DZGCQCFKSA-N 350.426 2.447 0 40 FEAB biogenic CCONC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 8746765 KQSLBDFEQYVAAE-UHFFFAOYSA-N 350.396 2.177 0 40 FEAB O=C(NCCc1cccs1)C(=O)NCc1ncc(-c2ccccc2)o1 8944836 FLMFYIPUDQAYAI-UHFFFAOYSA-N 355.419 2.378 0 40 FEAB C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 74217471 DNLBDAVWUUAPJB-QWHCGFSZSA-N 373.906 2.041 0 40 FEAB O=C(COc1ccc2c(c1)OCO2)NCc1cccc(NC(=O)C2CC2)c1 21357921 ZRHDLLDESXWESH-UHFFFAOYSA-N 368.389 2.459 0 40 FEAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(Cc1ccsc1)C2)C1CC1 306124850 CAUDVRRODXLDCL-YJBOKZPZSA-N 357.483 2.203 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306132269 LDHSKHYEMIABFR-LPHOPBHVSA-N 366.417 2.082 0 40 FEAB Cn1nccc1-c1ccccc1CN1CCc2cc(S(N)(=O)=O)ccc21 506821688 QNVBGDOOVSPJLP-UHFFFAOYSA-N 368.462 2.297 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(N[C@H](C)CC)c(C(=O)O)c1 217640497 QSTRPNDWMRNBJA-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB Cc1c(CN2CCc3c(nc4cc(C(C)(C)C)nn4c3O)C2)cnn1C 72339325 XQFDJSBLLREAIN-UHFFFAOYSA-N 354.458 2.333 0 40 FEAB N[C@@H]1CCC[C@H]2CN(Cc3nc(O)c4cnn(-c5ccccc5)c4n3)C[C@@H]12 566244462 XENKQMXUCZITPQ-IAOVAPTHSA-N 364.453 2.080 0 40 FEAB CNC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O 69896626 DDYFRMNRAFXIRL-UHFFFAOYSA-N 362.389 2.153 0 40 FEAB O=C1COc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc2N1 48288393 JLWAPLMHKNWITH-MRXNPFEDSA-N 351.406 2.022 0 40 FEAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]1Cn1ccnn1 329028184 OTXKDXVCJSDARQ-NZSAHSFTSA-N 353.470 2.037 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 224111407 JCQYOXQTQJZUPR-UHFFFAOYSA-N 366.414 2.396 0 40 FEAB COCCN1C[C@@H]2CN(Cc3ccc(C)s3)CCC[C@]2(C(=O)O)C1 96185175 ZSLVGSUNZDOVST-YJBOKZPZSA-N 352.500 2.302 0 40 FEAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(C(C)C)c2ccccc23)cn1 96144463 KLVRFZQKDAVGRA-FPOVZHCZSA-N 366.465 2.357 0 40 FEAB COCC(=O)N1CCC2(CC1)CN(Cc1ccsc1)C[C@H]2COC 247823468 DSQZOTNEQYHLGM-INIZCTEOSA-N 352.500 2.082 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247801395 FZBBRGDQCIAIPN-OAHLLOKOSA-N 368.389 2.263 0 40 FEAB COc1cccc(CC(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1 257225302 FFRLTMXQVSLBLU-KRWDZBQOSA-N 355.438 2.196 0 40 FEAB C[C@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1c1ncccn1 253591320 MCWOEWHHTGJSFJ-ZDUSSCGKSA-N 368.466 2.288 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257344000 ZVJNEKBULNARHK-QGZVFWFLSA-N 351.410 2.238 0 40 FEAB O=C(CN1CCOCC1)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257325292 WSHWWDXFYNALPW-UXLLHSPISA-N 364.873 2.288 0 40 FEAB O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1ccc(F)c(F)c1F 26539649 HMWIIHVXQFZWNW-UHFFFAOYSA-N 354.313 2.485 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1OC 260905602 RANLTFDURQKLEX-CHWSQXEVSA-N 372.487 2.019 0 40 FEAB Cn1c(C(F)(F)F)nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 90591325 VWWMKNIVRUHPOT-UHFFFAOYSA-N 368.237 2.258 0 40 FEAB Cc1nnsc1C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1 96121645 PVJROKNAGLJPMR-UHFFFAOYSA-N 354.439 2.412 0 40 FEAB O=C(NCCn1ccnc1-c1cnccn1)c1ccc(C(F)(F)F)nc1 575607349 BOHWXCRAMMWHMF-UHFFFAOYSA-N 362.315 2.184 0 40 FEAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2ccn(C)c(=O)c2)C1 585275445 AWRBDIQMYMRGHD-HXUWFJFHSA-N 356.422 2.004 0 40 FEAB O=C(c1ccnc(F)c1)N1CCOC[C@@H]1c1nccc(N2CCCCC2)n1 585113129 GHPLWGHZLHXPDV-OAHLLOKOSA-N 371.416 2.215 0 40 FEAB O=C(CCc1ccccc1)N1CCOC[C@](O)(COc2ccccc2)C1 585274073 ZUXLFPINVPCEPD-NRFANRHFSA-N 355.434 2.288 0 40 FEAB CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 585282115 XXKYIQLIENCBMF-FQEVSTJZSA-N 364.461 2.351 0 40 FEAB CNC(=O)COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1OC 44024504 XBPXKVACIPDGES-XNTDXEJSSA-N 352.390 2.337 0 40 FEAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 58209078 JYYOSJIJOQFEHM-QGZVFWFLSA-N 356.313 2.436 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)N3CCn4c(nnc4C4CC4)C3)cc12 12158648 UZJZHRSSSKEYBG-UHFFFAOYSA-N 367.409 2.310 0 40 FEAB CC(C)NC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232935 YBYONQOPNWEOJN-ZDUSSCGKSA-N 369.450 2.144 0 40 FEAB COCCNc1ncc(-c2cc(OC)nc(OC)n2)c(-c2ccco2)n1 12327278 RFZHAIFUHIBLKN-UHFFFAOYSA-N 357.370 2.269 0 40 FEAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)C1 19016687 YZXSCYZBLHLDKD-MRXNPFEDSA-N 350.422 2.011 0 40 FEAB CCc1cc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)on1 19522832 ZVXQJQSUDQSUQF-UHFFFAOYSA-N 363.439 2.015 0 40 FEAB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)nc(OC)n1 19550353 MFZQWSFBQKAGKN-UHFFFAOYSA-N 370.453 2.410 0 40 FEAB CCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C1CCN(C)CC1 19664961 PGUPFCCQAJYNOX-MRXNPFEDSA-N 373.497 2.299 0 40 FEAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCCCO4)n2)cc1 6589083 WQUXCOJQIGIWCL-UHFFFAOYSA-N 365.393 2.449 0 40 FEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2nnc(C(F)(F)F)o2)nn1 1888849406 KRTHEZZGINHSSP-FOSCPWQOSA-N 372.351 2.194 0 40 FEAB Cc1nc(N2CCN(Cc3ccc(F)cc3)CC2)cc(-n2cccn2)n1 1889186301 OKGUFSHOZKWRBS-UHFFFAOYSA-N 352.417 2.432 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)s1 2037985631 QDUMJPIYZXEWET-GOSISDBHSA-N 365.499 2.392 0 40 FEAB Cc1ccc(NC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)c(C)c1 4483659 GJCWLNKWMVMSHG-UHFFFAOYSA-N 367.380 2.394 0 40 FEAB CCCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)NC(C)C)CC1 2055756443 NOJGLSBYBDUSBM-UHFFFAOYSA-N 367.515 2.198 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](C)(O)Cc1ccco1 206621603 IUSLHWHWCOCMQT-KRWDZBQOSA-N 350.802 2.290 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1C 40110865 DWGVKHWVHRMWJK-LJQANCHMSA-N 368.393 2.141 0 40 FEAB O=C(NC[C@@H](O)c1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 31316483 YNNUFCMTWBTFKJ-MSOLQXFVSA-N 372.396 2.407 0 40 FEAB COC(=O)NCC(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 52012143 BUXHKRXVQISKJL-UHFFFAOYSA-N 368.389 2.349 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 32842298 HDPFMDCLQOLTOD-WBMJQRKESA-N 370.384 2.176 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cc(N2CCOC2=O)ccc1F 103767844 ZJUPDNXLBXLTMR-MISXLKTNSA-N 360.341 2.244 0 40 FEAB Cc1ccccc1CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 22818797 ZCEVHZBNEXTWIS-UHFFFAOYSA-N 367.449 2.480 0 40 FEAB Cc1ccccc1CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 640124 LDJJYNNILNDMGR-UHFFFAOYSA-N 350.415 2.217 0 40 FEAB CCOC(=O)Nc1ccc2c(CN3CCN(CC)CC3)cc(=O)oc2c1 23991147 DQRSQPFKZVRJLK-UHFFFAOYSA-N 359.426 2.499 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O 4999896 UMTWQPKBORFTRT-UHFFFAOYSA-N 351.406 2.439 0 40 FEAB CCCCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 6397743 CXQJUXUIQVOTMV-HNNXBMFYSA-N 369.483 2.410 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1OCC 6554553 JFSDGUHUVNAULE-LVYXFOGZSA-N 359.422 2.189 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)C1CCN(C(=O)c2ccoc2)CC1 24994891 OZGSFCKMOVBNGW-MRXNPFEDSA-N 356.426 2.059 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)Nc1ccc(N2CCOCC2)nc1 48079780 FHCQAPZOULBSRI-UHFFFAOYSA-N 369.469 2.302 0 40 FEAB O=C(NCCCOCc1ccco1)Nc1ccc(N2CCOCC2)nc1 48080603 IPZIOWQKWPKEMR-UHFFFAOYSA-N 360.414 2.240 0 40 FEAB O=C(CN1CCN(C(=O)c2sccc2-c2ccccc2)CC1)NC1CC1 35310623 VJSRLZVRWLTROC-UHFFFAOYSA-N 369.490 2.452 0 40 FEAB NS(=O)(=O)CCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 95365021 WZBZOFVUXWTXFY-UHFFFAOYSA-N 353.375 2.028 0 40 FEAB CNC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 27399465 JNXFWYQYIIBVJX-UHFFFAOYSA-N 350.378 2.168 0 40 FEAB COc1cc(C(=O)N2CCN(c3nccs3)CC2)cc(OC)c1OC 2017861 KGVWLYQGSGWMFD-UHFFFAOYSA-N 363.439 2.131 0 40 FEAB CN1CCN(c2ccc(NC(=O)CCNc3ncccn3)cc2Cl)CC1 58227350 UKQMXDDXKXXKGM-UHFFFAOYSA-N 374.876 2.323 0 40 FEAB COc1c2c(cc3c1[C@@H](C1=C(O)OC(C)(C)OC1=O)N(C)CC3)OCO2 2117491 LNUFPDIUXMKJKQ-ZDUSSCGKSA-N 363.366 2.032 0 40 FEAB biogenic C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@H](C(N)=O)Cc2ccccc21 58404093 DQSYFEPEGSMXAA-CRAIPNDOSA-N 351.450 2.370 0 40 FEAB CCCn1c(=O)n(CC(=O)NC2CCC3(CC2)OCCO3)c2ccccc21 46191599 UMKMDWSUWRWVJQ-UHFFFAOYSA-N 373.453 2.015 0 40 FEAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(CC(N)=O)cs1 24499530 BMWZCKTVNFRZJY-UHFFFAOYSA-N 362.436 2.377 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2N)cc1 3406347 BUJOJMRCJCWZSA-UHFFFAOYSA-N 361.471 2.209 0 40 FEAB CC(C)NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 3502690 FILXBSLRLJCPJZ-UHFFFAOYSA-N 374.491 2.456 0 40 FEAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1F 12931143 HXLYEHFJJMMIAT-CYBMUJFWSA-N 366.414 2.047 0 40 FEAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc2oc(=O)ccc2c1 4084338 JVAOBYKGIUAGFP-LBPRGKRZSA-N 350.396 2.209 0 40 FEAB biogenic COC(=O)c1ccccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 6008038 GQNHKCSVUKETMU-UHFFFAOYSA-N 353.334 2.145 0 40 FEAB CCn1c2ccccc2c2nnc(SCC(=O)N3CCCC3=O)nc21 5490614 SEBLFUNELPWGQM-UHFFFAOYSA-N 355.423 2.241 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 14519526 PYWLQHMECQIFSM-BDJLRTHQSA-N 351.366 2.044 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC1CCCCC1 6779020 UCQWQFQZBQXJLE-LBPRGKRZSA-N 366.845 2.450 0 40 FEAB O=C1CN(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c2ccccc2N1 4836249 LHJKLUDYHFVAEN-JXMROGBWSA-N 354.337 2.367 0 40 FEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 6880074 VRYCFZBTRGHQLM-DNVCBOLYSA-N 367.401 2.457 0 40 FEAB O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccccn2)cs1 6969786 REULCAPXWJLJSX-UHFFFAOYSA-N 368.418 2.339 0 40 FEAB COc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1OC 67240059 CFIISUACSJMILO-UHFFFAOYSA-N 353.382 2.178 0 40 FEAB Cc1noc(C(C)C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7412186 XTCXGCZEOSCCNF-LLVKDONJSA-N 359.382 2.389 0 40 FEAB Cc1[nH]c(C(=O)NCc2nnc3ccccn23)c(C)c1C(=O)OC(C)C 9513069 IQMSDCCZMNHZDF-UHFFFAOYSA-N 355.398 2.169 0 40 FEAB Cc1cccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 8116402 RNYOQXLXPUTYOT-LJQANCHMSA-N 366.417 2.262 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(N2CCCC2)nc1 71818828 OOUWWCORBGOBJC-UHFFFAOYSA-N 371.466 2.446 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCCCOCc3ccccc3)ccc2N1 8778209 MMLZVSFDFXBCPH-UHFFFAOYSA-N 374.462 2.457 0 40 FEAB CCn1c(=O)n(CCC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 9743975 UYUKCMYLUMJRPD-UHFFFAOYSA-N 363.421 2.406 0 40 FEAB Cc1nc(/C=C/C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cs1 9899668 ATUQRRDASXMJHD-CMDGGOBGSA-N 365.480 2.031 0 40 FEAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306135044 OFVJCIBJKSYYDR-QZTJIDSGSA-N 367.497 2.337 0 40 FEAB CN(C)C(=O)NCCN(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 95456127 QYJBTGIFHNFJEW-UHFFFAOYSA-N 362.430 2.463 0 40 FEAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 33024157 SLYUFBDSHOQHHZ-AWEZNQCLSA-N 357.237 2.457 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCCC2)Oc2ccc(Cl)cc21 38832716 IHYQDRDJECNBTD-HNNXBMFYSA-N 372.874 2.270 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 218575481 IKTCSXCRBBOLAE-BBWFWOEESA-N 350.871 2.244 0 40 FEAB Cc1cc(Sc2ncccn2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909804 SLDMRBIWWFEISZ-NSHDSACASA-N 362.484 2.192 0 40 FEAB CCc1cc(Br)cc(C)c1NC(=O)CN(C)S(C)(=O)=O 226098475 KDEGCMVRRAQSEQ-UHFFFAOYSA-N 363.277 2.150 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1CCCN1CCOCC1 223167438 SBJJNBOGLWFBNZ-MSOLQXFVSA-N 372.494 2.369 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106881 SIIZFRYNEOYWOI-MRXNPFEDSA-N 357.410 2.359 0 40 FEAB O=C(c1cccnc1)N1CCC2(CC1)CCN(C(=O)c1cccnc1)C2 96046577 XYABJIMIDDATHA-UHFFFAOYSA-N 350.422 2.245 0 40 FEAB COCC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2csc(C)n2)C1 96040158 NPXLNQUAROLIAI-RDJZCZTQSA-N 354.472 2.012 0 40 FEAB Cc1nnc(N2Cc3ncn(C)c3[C@@H](COCc3cccnc3)C2)s1 96045029 IEFPWNJJHJLCOM-CQSZACIVSA-N 356.455 2.296 0 40 FEAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(F)c2)n1 604382400 QPJSGGISRHAMEB-UAFMIMERSA-N 373.472 2.429 0 40 FEAB biogenic,in-vitro COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cccc(C(=O)O)c2)n1 257291965 QJKZAWCGIXPNEM-INIZCTEOSA-N 355.394 2.460 0 40 FEAB CN1CCC(c2nccnc2CNC(=O)COc2ccc(F)cc2)CC1 257337233 YRYXUNDURPGJPY-UHFFFAOYSA-N 358.417 2.120 0 40 FEAB CC(C)(C)[C@@H](CO)NC(=O)Nc1ccncc1I 273936982 WOHWOJGWFUFSMP-SNVBAGLBSA-N 363.199 2.215 0 40 FEAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1ccc(N2CCCCCC2)nc1 655601862 TYOYUXVIWWSTDA-KRWDZBQOSA-N 368.437 2.283 0 40 FEAB COCCn1nc(C)c(NS(=O)(=O)C[C@@H](OC)C2CCCC2)c1C 656624623 QPSCORUYAZPVIX-OAHLLOKOSA-N 359.492 2.093 0 40 FEAB Cc1ccnc([C@@H](C)NS(=O)(=O)c2ccnn2CCc2ccccc2)n1 585114177 GCSFOEHMZTZNGK-OAHLLOKOSA-N 371.466 2.264 0 40 FEAB O=C(COc1ccccc1F)N1CCO[C@@](CO)(Cc2ccccc2)C1 585272322 NCOOEUITHBEJIO-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CC(=O)N(C)O2)C1 1549166471 FEEBTIVRZOSZNV-UHFFFAOYSA-N 361.785 2.292 0 40 FEAB Cn1cc(CNC(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)cn1 1772595559 FWKDDIKIMQUQOG-HBFSDRIKSA-N 366.465 2.128 0 40 FEAB Cn1nccc1C(=O)C1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 12337217 FUFSFPZWSNHAHL-UHFFFAOYSA-N 354.366 2.403 0 40 FEAB CNC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12567695 AKKCXKJVXUXDDS-HNNXBMFYSA-N 352.843 2.496 0 40 FEAB O=C(C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)N1CCCC1 12766511 CNPPCCMLHWEDJM-UHFFFAOYSA-N 374.872 2.182 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(Cl)ccc2C)CC1 14094519 NWZPHSGREISCKM-CYBMUJFWSA-N 352.866 2.005 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 15245395 UDEMCNALHYJLIQ-UHFFFAOYSA-N 374.418 2.183 0 40 FEAB CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19500827 CSSBPZDYBJWQFO-ULMVMLMRSA-N 368.389 2.052 0 40 FEAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CC2)C1 19703523 CHXUCIPXYARGOO-HXUWFJFHSA-N 353.422 2.259 0 40 FEAB CCc1nnc(S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)O)[nH]1 7342499 MPOSNMRCBOUDIG-LUAWRHEFSA-N 350.400 2.015 0 40 FEAB O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834354 PNAHVVIXJUMYSQ-SCRDCRAPSA-N 355.360 2.174 0 40 FEAB Cc1cc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)c(C)o1 1888864130 UWPRJWPEJSXNRY-UHFFFAOYSA-N 360.389 2.371 0 40 FEAB Cc1noc(CN(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)n1 1888890269 AEXMFARPYJRWLI-UHFFFAOYSA-N 354.389 2.295 0 40 FEAB COC1(CC(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CCC1 1565550359 AIKMHWWPSGGWSJ-HXUWFJFHSA-N 371.481 2.382 0 40 FEAB CCCn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)cn23)n(C)c1=O 4250710 HLAVQLOCJTYPPD-UHFFFAOYSA-N 365.437 2.111 0 40 FEAB COc1ccc(Cl)cc1C(=O)OCn1c(SC)nnc(C)c1=O 4495792 LNCSVVNKBXRCFA-UHFFFAOYSA-N 355.803 2.145 0 40 FEAB CCCS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)CC)nn2)c1 7428154 BIMXDLZOGWFTGL-UHFFFAOYSA-N 369.468 2.089 0 40 FEAB CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 11693748 MTIBCFILQGXWNP-UHFFFAOYSA-N 369.421 2.169 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127501 DKZPWYVUILDTRX-UHFFFAOYSA-N 371.437 2.255 0 40 FEAB CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 22466299 VKZRATRVJOEJLV-LJQANCHMSA-N 364.530 2.378 0 40 FEAB Fc1ccc(-c2n[nH]cc2CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 40091407 DXZHCRDPTLZNMY-APWZRJJASA-N 374.460 2.043 0 40 FEAB Cc1cccnc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 30557238 XKANGUYMBVYXCG-UHFFFAOYSA-N 359.451 2.402 0 40 FEAB O=C(C1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1)N1CCCCC1 41775533 JQBXVPCNIYOTQN-IBGZPJMESA-N 369.465 2.431 0 40 FEAB CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)cc1 892395 CRGOTHMRGCHBGL-HNNXBMFYSA-N 354.362 2.313 0 40 FEAB COC1CCC(N(C)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 78115238 FHHRKLDVRCCTHC-GTPINHCMSA-N 353.507 2.480 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc3c(c1)OCCO3)C2=O 23652734 PCESZMRMYPAYMT-VLIAUNLRSA-N 373.453 2.348 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(CCC(=O)c2ccc(F)cc2)CC1 95454787 ILSRIVFYNSCKGH-UHFFFAOYSA-N 356.463 2.144 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)CSc2nnnn2C2CC2)cc1 23884890 CVKQCDZHDKHBPB-HNNXBMFYSA-N 359.455 2.472 0 40 FEAB COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)c2csnn2)c1 4964898 BJWFEQFANXFMDC-UHFFFAOYSA-N 374.466 2.248 0 40 FEAB Nc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2c(c1)OCCO2 4985054 DTTQMQQILNEQGU-UHFFFAOYSA-N 355.329 2.012 0 40 FEAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(C)c2)c1=O 6679063 WPPXVWXOKYKEKJ-UHFFFAOYSA-N 361.398 2.331 0 40 FEAB Cc1cc(N2CCOCC2)nc(SC[C@H](O)COc2ccccc2)n1 6796867 UCETWXKJMHWMQF-OAHLLOKOSA-N 361.467 2.154 0 40 FEAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 6954745 DYACFBIPNLGVPH-IZZDOVSWSA-N 373.192 2.458 0 40 FEAB Cc1cccc(NCCN[C@H](CC(=O)Nc2cccc(O)c2)C(=O)O)c1 8414805 VSKFKGBPDALIJI-QGZVFWFLSA-N 357.410 2.184 0 40 FEAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1NCCO 8710680 PJLIGIDYAMBFQH-CYBMUJFWSA-N 360.414 2.052 0 40 FEAB CCn1c(SCC(=O)NC(=O)c2cccn2C)nnc1-c1ccccc1 8851144 LNUHVEXZAUYVDR-UHFFFAOYSA-N 369.450 2.352 0 40 FEAB O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCSc2c(F)cccc21 61945378 UWBGSDHXVLEEQO-HNNXBMFYSA-N 374.441 2.487 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc2ccccn2c1=O 25603548 NOVAGPMFBUXZRW-AWEZNQCLSA-N 374.404 2.108 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2c(s1)CCCC2 12694079 AIVSMPIDCUDRFV-VXGBXAGGSA-N 359.451 2.302 0 40 FEAB COc1ccccc1[C@@H](NC(=O)Cc1c(C)noc1C)c1nccn1C 48287770 WPXYEDPODREVPQ-GOSISDBHSA-N 354.410 2.482 0 40 FEAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 44403803 WWALFUSZGQLOBW-MJGOQNOKSA-N 356.466 2.204 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC(C)(C)C 12735202 LSUGPIQPDZAIOQ-UHFFFAOYSA-N 354.472 2.391 0 40 FEAB CNc1snc(C)c1C(=O)N1CCN(C(=O)CCc2ccccc2)CC1 58215247 YJGCMXBHTWKEIG-UHFFFAOYSA-N 372.494 2.410 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nn1 26347452 IBOHUKARQWZRHF-UHFFFAOYSA-N 350.378 2.028 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)c2ccccc2O1 58356933 YEMKITIGVMOUMN-GOSISDBHSA-N 362.389 2.026 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccnn1C)C(=O)N[C@H]1CCOc2ccccc21 95385642 YGGRYGJOXJHZRV-WMLDXEAASA-N 357.410 2.242 0 40 FEAB O=C1CN(c2ccc(NC(=O)c3ccc(CO)cc3)cc2Cl)CCN1 48314133 WGNKJGVQFANLLW-UHFFFAOYSA-N 359.813 2.021 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 12811054 RTGCJHTUHAJWDF-WMLDXEAASA-N 369.421 2.145 0 40 FEAB COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1cccc2ccccc12 72297733 NGFIEFPFORJUDB-ZDUSSCGKSA-N 350.440 2.230 0 40 FEAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1 11318200 DUCDGWYLOXEJRB-GFCCVEGCSA-N 353.440 2.084 0 40 FEAB CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)CCC2 10157637 RDHOXNRNIBEXET-UHFFFAOYSA-N 367.453 2.373 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9114510 XXNKITQDLQZTBC-UHFFFAOYSA-N 368.359 2.142 0 40 FEAB COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2cccc(F)c2)cc1 13195913 ISGIMSLAVWDOIB-OAHLLOKOSA-N 353.371 2.329 0 40 FEAB CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCCOC 4241884 YNLPRMGGYAZZHL-UHFFFAOYSA-N 354.863 2.473 0 40 FEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2C(=O)OC)c1 6317127 FHGHFEXNTOMILJ-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)s1 9426567 KUDYKTWMWWFJRY-QWRGUYRKSA-N 354.476 2.048 0 40 FEAB Cc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9483635 AVCGWPDFSGYIHB-CQSZACIVSA-N 350.802 2.077 0 40 FEAB Cc1csc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72325672 QDVWNTZXFARNLV-AWEZNQCLSA-N 370.434 2.041 0 40 FEAB biogenic NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 68536283 YJDDZCFIQIVADS-NSHDSACASA-N 355.394 2.261 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1C 69343178 PWDUAUVWWGAAGG-HUUCEWRRSA-N 355.456 2.083 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022707 FJJYJZVDLMKXIW-OAHLLOKOSA-N 354.458 2.328 0 40 FEAB COc1cc(C)ccc1OCC(=O)NS(=O)(=O)c1ccc(C)s1 69571748 DWXGCAJUZPOIOJ-UHFFFAOYSA-N 355.437 2.257 0 40 FEAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 9690098 MRYFDDUPMQZXDB-LLVKDONJSA-N 351.255 2.235 0 40 FEAB CC(=O)N1CCN(c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)CC1 8996892 QQCACSRZLJEXLO-UHFFFAOYSA-N 367.453 2.209 0 40 FEAB Cc1cccc(-n2c(=O)[nH]c(O)c([C@H]3OC(=O)c4ccccc43)c2=O)c1C 8995023 WQEOUNPTIRGLJL-INIZCTEOSA-N 364.357 2.108 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 9726171 BNGSSKASPATHOH-IBGZPJMESA-N 370.457 2.348 0 40 FEAB CN1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccoc3)CC2)C1 306139641 TWMFLKUKLJCMIV-UHFFFAOYSA-N 364.453 2.370 0 40 FEAB CO[C@@H](C)c1noc(CCC(=O)NCCc2nc3c(s2)CCCC3)n1 89913695 YWFUOSXVCUCFMT-NSHDSACASA-N 364.471 2.404 0 40 FEAB CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252966 FXXVKELMBLVXAY-GFCCVEGCSA-N 372.487 2.408 0 40 FEAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409387995 BTFUZVOYFZTQDQ-AWEZNQCLSA-N 356.488 2.365 0 40 FEAB O=C(N[C@]1(CO)COc2ccccc2C1)c1ccc(C(F)(F)F)nc1 529818893 GDXNGCAWPBZFBX-MRXNPFEDSA-N 352.312 2.196 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 219668812 JDQHDIYQJVRRBH-CQSZACIVSA-N 372.446 2.407 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 36844535 FSHVVNBFJAPEJO-QGZVFWFLSA-N 365.433 2.076 0 40 FEAB CC[C@H](C)C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980667 WBFQITNXZKBFHC-DOTOQJQBSA-N 360.454 2.337 0 40 FEAB CN(C)C[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 85435931 NXQGYHSPCDAGKY-SESVDKBCSA-N 373.497 2.319 0 40 FEAB biogenic,in-vitro Cc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 222760644 AGNVETFEUVOGSU-UHFFFAOYSA-N 360.479 2.365 0 40 FEAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 95868074 CQRHDJNAPDZBCN-KRFNRFTJSA-N 352.515 2.473 0 40 FEAB Cc1cnc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 96239019 ZLEDHFVPJRHOJL-IBGZPJMESA-N 352.394 2.147 0 40 FEAB Cn1cc(CN2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)cn1 96240419 ILWYDAACRFFTRI-UZLBHIALSA-N 374.460 2.279 0 40 FEAB O=C(C1CCC1)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244237 WWFYJWKUZBBXOF-FQEVSTJZSA-N 368.437 2.482 0 40 FEAB CSc1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)nc1 585138623 PJENIHMCHBBDBB-MRXNPFEDSA-N 369.454 2.440 0 40 FEAB CC(=O)N1CCCC[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@H]21 257314238 UVZNDXCDHAXKDJ-FUHWJXTLSA-N 350.484 2.407 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516096 QBSMVEUEHCUFIK-LMMKCTJWSA-N 359.447 2.195 0 40 FEAB COc1ccccc1[C@H]1Cn2ccnc2CN1C1CCN(C(C)=O)CC1 257218536 DDMGVQUHYUHTKY-GOSISDBHSA-N 354.454 2.460 0 40 FEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 257260749 LEDYQDGFZFOAGQ-CYBMUJFWSA-N 354.458 2.215 0 40 FEAB CN([C@H](C(=O)NCCCc1ccccc1)c1ccccc1)S(C)(=O)=O 260767768 PBTMCTRKCZAOMJ-SFHVURJKSA-N 360.479 2.368 0 40 FEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)O 629314618 STEBSRRYMWYRDS-UONOGXRCSA-N 357.476 2.393 0 40 FEAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccc2nnc(O)n2c1 670416512 YFFMPDUQGFZYAT-UHFFFAOYSA-N 364.409 2.454 0 40 FEAB CCc1nccc(CN2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)n1 72169600 AOPVITHHNISJMN-UHFFFAOYSA-N 366.391 2.478 0 40 FEAB C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)CCN(C2CC2)C1 297686817 XKLCEZVQCIAUGG-IEZWGBDMSA-N 358.486 2.427 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099055 GZOKSHFGHJLXHY-MJGOQNOKSA-N 353.422 2.024 0 40 FEAB O=C1[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2C(=O)N1Cc1ccccc1 852337076 WSLPFRMBBXMHRX-IYBDPMFKSA-N 360.417 2.180 0 40 FEAB Cn1ccc(CN2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1=O 1775995218 IVWUSXSZQVWEOG-UHFFFAOYSA-N 356.470 2.077 0 40 FEAB O=C(Cc1c(F)cccc1Cl)N1CCN(c2nccs2)C(=O)C1 1565522211 DGLOBEMBEMUCRN-UHFFFAOYSA-N 353.806 2.354 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2ccc[nH]2)cc1 75148666 NEKXCJCLGWGVEA-QGZVFWFLSA-N 363.483 2.333 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1 79496122 APMMTILMKAFGJW-JTQLQIEISA-N 360.277 2.321 0 40 FEAB COc1cccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)c1 2388630 RXXJPVOZYCTXRM-LFIBNONCSA-N 365.414 2.383 0 40 FEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 13078316 QTODDGWTOJDYMK-UHFFFAOYSA-N 363.391 2.291 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCC3)nc(O)c2C1 19018056 NJSRYXQEVMFZEB-KRWDZBQOSA-N 372.469 2.331 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)N1CCOCC1 19078222 HMOWVXJCARTLMR-HOTGVXAUSA-N 350.434 2.164 0 40 FEAB Cc1ccc(-c2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)no2)cn1 19215059 ICFDIHIMDBRNRQ-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)Cn3cncn3)C2)c2sccn12 19240726 VZFYAWDPJGQWDT-JSGCOSHPSA-N 358.471 2.338 0 40 FEAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2ncccn2)CCO1 19702670 VXLXEGLETNFMTK-LBPRGKRZSA-N 355.423 2.024 0 40 FEAB CNc1cc(CN(C)CC(=O)NC2CCCCC2)nc([C@H]2CCCCN2)n1 19709921 CAUSVPOUHQZCRM-QGZVFWFLSA-N 374.533 2.214 0 40 FEAB COC(=O)[C@H]1CCn2c(COc3ccc(Br)cc3)nnc2C1 601045520 XXPIRCDRKXWNAX-JTQLQIEISA-N 366.215 2.355 0 40 FEAB COc1ccc(-c2ccc(N3CCN(C(=O)C(C)C)CC3)nn2)cc1OC 11695285 REEZNAGXOFNWFD-UHFFFAOYSA-N 370.453 2.465 0 40 FEAB Cc1cc(C(F)(F)F)nc(N2CCN(c3nccn4nccc34)CC2)n1 1888888122 QZNMRZBWDGEUPR-UHFFFAOYSA-N 363.347 2.173 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940754 DQRCZIIKQSRKMQ-LLVKDONJSA-N 372.402 2.061 0 40 FEAB CCOC(=O)c1c(NC(=O)c2ccn(C)n2)sc2c1CCN(CC)C2 11695496 CBXXQZQJBJLYBP-UHFFFAOYSA-N 362.455 2.289 0 40 FEAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)N2CCCCC2)C3)CC1 2055713862 SCPYVXMPLIPCHT-INIZCTEOSA-N 358.486 2.330 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccc2F)C1 2055747729 QQLOMAYMLDEGRB-FQEVSTJZSA-N 373.403 2.337 0 40 FEAB CCCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 7991009 SQUYPKGDEOMNSQ-CYBMUJFWSA-N 350.216 2.309 0 40 FEAB Cc1cccc(Cc2cnc(NC(=O)CN3CCC(C(N)=O)CC3)s2)c1 40007934 FQFYZIBRQSGGJH-UHFFFAOYSA-N 372.494 2.178 0 40 FEAB O=C(NCc1nnc2ccccn12)c1cnn(-c2ccc(Cl)cc2)c1 40143922 NGBPDKXDIIUMOZ-UHFFFAOYSA-N 352.785 2.498 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CCCn1cncn1)c1ccc(Cl)cc1 40151823 GTDLEPXXMWTXOD-INIZCTEOSA-N 358.833 2.351 0 40 FEAB CCN(CCNC(=O)c1cccc(OCC(N)=O)c1)c1ccccc1C 40108171 PZATUXAHWXRLLI-UHFFFAOYSA-N 355.438 2.115 0 40 FEAB Cn1c(=O)n(CCOc2ccccc2)c(=O)c2ccc(C(F)(F)F)nc21 31451500 FGMJLIFACZKQAX-UHFFFAOYSA-N 365.311 2.193 0 40 FEAB Cc1cc(N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n2ncnc2n1 32779258 QSOYWWLCIYCVNO-UHFFFAOYSA-N 362.437 2.494 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(-n2ccnc2)nc1 33044077 BOHSPEZTVNAUAL-SCLBCKFNSA-N 350.378 2.112 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N(C)C 21768293 OZMNXDOMIZDSLJ-LLVKDONJSA-N 353.271 2.385 0 40 FEAB COc1ccc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1F 32934905 ZQIXENQNAXHHMH-QQOXCAACSA-N 350.434 2.321 0 40 FEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002017 FXPNOCUKGZTHGL-IUODEOHRSA-N 352.866 2.072 0 40 FEAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc23)CC1 22476747 GIBIBYVKKOIUSV-OAHLLOKOSA-N 368.433 2.005 0 40 FEAB COCc1n[nH]c(-c2ccc(NC(=O)CCc3cc(OC)no3)cc2)n1 79486603 IUJBSUGYNBCUNG-UHFFFAOYSA-N 357.370 2.186 0 40 FEAB CCOC(=O)CNC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 4898823 DLTYFSLGKCJSHY-UHFFFAOYSA-N 370.434 2.396 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 106104565 RZMLBADBMFOAHA-BZUAXINKSA-N 374.485 2.433 0 40 FEAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c(C)c1 8368968 KOASFXZZFCHXTG-UHFFFAOYSA-N 356.488 2.001 0 40 FEAB COc1cccc(CNC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccco2)C3)c1 100128477 RJWGNSIQYUNLCM-IAGOWNOFSA-N 370.449 2.419 0 40 FEAB Cc1nn(C)cc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 108532048 RUZRTZXNRVMUPY-DOTOQJQBSA-N 352.429 2.198 0 40 FEAB CC(C)[C@H](CNC(=O)CNC(=O)c1ccco1)N1CCc2ccccc2C1 25537904 SHZWCIXHMXTLTD-SFHVURJKSA-N 369.465 2.209 0 40 FEAB CCOc1c(CC)cnc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 9571784 ZGQSVIPQUVGUAH-UHFFFAOYSA-N 357.385 2.244 0 40 FEAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCN(c2nccs2)CC1 27133919 MFTZUWVJCSFZBO-HNNXBMFYSA-N 370.478 2.383 0 40 FEAB O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2cnccn2)CC1 27634658 RWXAPHNQNBNHFA-IBGZPJMESA-N 364.449 2.192 0 40 FEAB CNc1cc(CNC(=O)[C@H]2CC[C@H](OC)CC2)nc(-c2cccnc2)n1 100224045 TWEDQXKQIYCKJA-AKAXFMLLSA-N 355.442 2.402 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC2CCCCC2)C1=O 44942807 CFKDOOOTTRFIST-LJQANCHMSA-N 359.426 2.224 0 40 FEAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCC[C@H]4C 2211859 OLJFHVXWQAEZJP-NXEZZACHSA-N 359.455 2.280 0 40 FEAB CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 45368327 FHQJJYHKXMGVKK-UHFFFAOYSA-N 366.483 2.112 0 40 FEAB O=C(CN1CCN(c2nccs2)CC1)NCc1cccc(Cl)c1 36403721 JYUZODHOCSUJDG-UHFFFAOYSA-N 350.875 2.235 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C 100094360 VYDWXIRVRDOPGR-IOASZLSFSA-N 366.483 2.300 0 40 FEAB Cn1cncc1CN1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108534423 GDHXTKMEKTXKEV-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB COC(=O)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 72294671 ASHWZIBUOWCGSX-LLVKDONJSA-N 352.818 2.151 0 40 FEAB CS(=O)(=O)/N=C(\O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 48479269 MLRBVIXPBIRPQS-UONOGXRCSA-N 350.440 2.298 0 40 FEAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3551679 BSIWLOIUHRTMGV-UHFFFAOYSA-N 365.393 2.329 0 40 FEAB Cn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccncc1 3578099 XZUPFBLOZZEZGH-UHFFFAOYSA-N 365.418 2.265 0 40 FEAB O=C1CCc2cc(C(=O)NCc3ccnc(N4CCCC4)c3)ccc2N1 13001737 RTISUHSMKOTYFN-UHFFFAOYSA-N 350.422 2.497 0 40 FEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 13005293 MCSWJZPUYLPVAK-GJZGRUSLSA-N 353.382 2.281 0 40 FEAB CCOc1ccc([C@H](C)NC(=O)CCCNCN2CCC(=O)CC2)cc1 96009243 FUYYQRWGLJVNFO-INIZCTEOSA-N 361.486 2.255 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 25081344 VCQLQRCAKQMWPQ-ZDUSSCGKSA-N 367.448 2.186 0 40 FEAB CCn1cc(C2=NO[C@H](C(=O)Nc3ccccc3C(=O)OC)C2)c(C)n1 4099227 MEAHRPUDLXWXHN-INIZCTEOSA-N 356.382 2.130 0 40 FEAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5094323 PVYSEKFHNJJIAK-UHFFFAOYSA-N 351.328 2.356 0 40 FEAB CC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 4469376 NGQFMANOMPMAMB-UHFFFAOYSA-N 357.410 2.328 0 40 FEAB CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 409057354 KXUYOUYKPAZCBF-UHFFFAOYSA-N 350.415 2.071 0 40 FEAB O=C(CNc1ccccc1N1CCCC1=O)NCc1ccc2c(c1)OCO2 15361637 GVUPFQNNKRVFLU-UHFFFAOYSA-N 367.405 2.270 0 40 FEAB O=c1c2sc3ncccc3c2nc(O)n1-c1ccc2c(c1)OCCO2 67349626 DFILDYUFVVKCPJ-UHFFFAOYSA-N 353.359 2.472 0 40 FEAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccn1 7597458 RVMTUVAWIUQECU-CQSZACIVSA-N 359.451 2.357 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)CNC(=O)c2ccccc2F)c1 8355370 SLRPXJWACNREQR-LBPRGKRZSA-N 360.385 2.450 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CNC(=O)Cc2ccccc2)c1 8358316 URIZAGYMBUAPRZ-UHFFFAOYSA-N 367.449 2.059 0 40 FEAB COc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1OC 8327531 HXULIWSVKVSANY-UHFFFAOYSA-N 356.422 2.183 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCSc1ccccc1 8361364 CETCSPICVSBIQN-UHFFFAOYSA-N 361.467 2.150 0 40 FEAB O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 19229201 AQWUBYMQCHAICF-QGZVFWFLSA-N 359.389 2.291 0 40 FEAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Cl 408548981 OSQGJASQOJEJIK-IZZDOVSWSA-N 373.192 2.458 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cccn4C)C3)nn2)cc1 95998043 FFKZJDVPMXZNDB-UHFFFAOYSA-N 351.410 2.379 0 40 FEAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 95998060 DIFZDIQEEHWSKU-LLVKDONJSA-N 364.833 2.469 0 40 FEAB CC1CCC2(CC1)OC[C@H](CNC(=O)c1cccc3c1OCC(=O)N3)O2 95991667 VISXZRJFDRGWQH-MLZJXEJWSA-N 360.410 2.069 0 40 FEAB CC[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 74645101 WSMOVLHFGZBFRG-SFHVURJKSA-N 363.417 2.226 0 40 FEAB C[C@H](C(=O)NC1CC(C)(C)NC(C)(C)C1)N1C(=O)c2ccccc2C1=O 75241253 VVYQGMHYNFHDTR-GFCCVEGCSA-N 357.454 2.097 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208035 AHHSFHZCBHZWQL-UHFFFAOYSA-N 362.879 2.131 0 40 FEAB O=C(NCCc1ccccc1)c1nc(COc2ccc3c(c2)OCO3)no1 20738862 OSSQIYYRKVLQPW-UHFFFAOYSA-N 367.361 2.350 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1F)O2 38849268 UHKJYUYGUVYDQG-MRXNPFEDSA-N 364.398 2.300 0 40 FEAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 219427273 UDLUTVAJVADJFV-CQSZACIVSA-N 372.446 2.489 0 40 FEAB CSc1nc(OC[C@@H]2CCCCN2)cc(OC[C@@H]2CCCCN2)n1 72203281 JZOZFXCIMFTPFG-KBPBESRZSA-N 352.504 2.240 0 40 FEAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980028 PJJDWVHQJQIXRW-QGZVFWFLSA-N 354.406 2.187 0 40 FEAB Cc1cc(CNC(=O)Nc2ccc(F)cc2F)nc(N2CCOCC2)n1 224230255 NPBDYHVWQRRIJZ-UHFFFAOYSA-N 363.368 2.222 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1CCN1CCOCC1 223124997 BRYSDDHTHPJCEF-IAGOWNOFSA-N 374.535 2.448 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 45671253 FRUHJIHTDQFGNT-HOTGVXAUSA-N 360.479 2.491 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)s1 223601687 BBWAFOBQDVEHGT-SNVBAGLBSA-N 354.457 2.153 0 40 FEAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)C[C@@H]1COc2ccccc2O1 333698405 NMFFREJMBAHNPQ-OAHLLOKOSA-N 358.438 2.076 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 96039555 UNVCUNIJZAQXAC-LPHOPBHVSA-N 350.459 2.178 0 40 FEAB CC(C)CN1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2C(=O)c1ccccc1 96251618 XZQYARDSEKMCLE-ZWKOTPCHSA-N 364.511 2.046 0 40 FEAB CCN1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@H](COC)C1=O 96208192 ZHQRRJSYEPZTLS-GOSISDBHSA-N 358.482 2.353 0 40 FEAB O=C(CC1CC1)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244301 WNWZKRCMUZADHR-FQEVSTJZSA-N 350.422 2.339 0 40 FEAB c1ccc(CN2Cc3cncn3C[C@@H](COCC3CCOCC3)C2)nc1 96217293 GNKUTRZDVBSYBX-SFHVURJKSA-N 356.470 2.353 0 40 FEAB C[C@H]1CN(C(=O)c2cscn2)C[C@@]12CCN(Cc1cccnc1)C2=O 96201726 YVUOHXVVGBAQAF-UGSOOPFHSA-N 356.451 2.049 0 40 FEAB Cc1ccc(OCC(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)cc1 248019333 LVGLOGIMDUGYRW-LJQANCHMSA-N 355.438 2.408 0 40 FEAB CCOc1ccccc1CN1CCN(c2ccc(C(=O)O)nn2)[C@@H](C)C1 520411652 ASQVZHHDCJABBR-AWEZNQCLSA-N 356.426 2.284 0 40 FEAB O=C(O)CCC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]2CNCC[C@H]21 257307293 SYBJOLQOXKYBAG-RBSFLKMASA-N 370.371 2.474 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 260905714 RVWNVNICSWRJKY-ZVZYQTTQSA-N 362.495 2.392 0 40 FEAB Cc1cc(O)cc(=O)n1CCCC(=O)NCCCc1nc2ccccc2[nH]1 604418705 MXINKZQYUCTSPT-UHFFFAOYSA-N 368.437 2.268 0 40 FEAB CC(C)c1nc(CCNC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)n(C)n1 1123939664 RQCGECKLSJCSND-JTQLQIEISA-N 358.368 2.074 0 40 FEAB CNC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCC1 629998212 PVIXYFKNWDCCHX-UHFFFAOYSA-N 373.478 2.359 0 40 FEAB Cc1cccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)n1 585110858 RAPDFKTXSXSKRL-KRWDZBQOSA-N 353.470 2.139 0 40 FEAB Cc1ccc(C[C@@]2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)cc1 585277556 MYHLIKREGRXAOV-FQEVSTJZSA-N 355.438 2.042 0 40 FEAB Cc1cc(C)nc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)n1 272882587 VWGJLQBBOZAFAU-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CCCOC2)C1 585082118 JQVFRABKPYYXAU-INIZCTEOSA-N 372.874 2.354 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615123567 TXJASXGJGPVXES-UHFFFAOYSA-N 373.384 2.160 0 40 FEAB COc1cccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 5223490 RPNQSHJHPHIGPC-KRWDZBQOSA-N 374.393 2.225 0 40 FEAB Cc1cccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)n1 12121314 DYWQEYOGQHUOPH-UHFFFAOYSA-N 352.485 2.025 0 40 FEAB O=C(CCN1Cc2ccccc2C1=O)NCc1noc(-c2ccccc2)n1 12202841 MUDQUZAMNMOPOJ-UHFFFAOYSA-N 362.389 2.399 0 40 FEAB CN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21 13006788 XYXTTWKAKHORLM-UHFFFAOYSA-N 357.479 2.106 0 40 FEAB CCc1cccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 14226826 VDDRWCQHLMURJH-UHFFFAOYSA-N 357.435 2.316 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(CC)c2)CC1 16780563 FMRGXLDQLYQEHK-UHFFFAOYSA-N 355.456 2.221 0 40 FEAB C[C@@H](c1cc(=O)[nH]c(NCc2cccnc2)n1)n1ncc2ccccc2c1=O 19717498 SELXXVMDSXHORL-ZDUSSCGKSA-N 374.404 2.096 0 40 FEAB Cc1nc(C)c(CC(=O)Nc2ccc(Br)cc2F)c(=O)[nH]1 19937434 VZNGORYTRCSNMX-UHFFFAOYSA-N 354.179 2.470 0 40 FEAB Cc1cc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)c(C)o1 126432475 XVOFHOSFVYTDIU-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB COc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 19588820 OFPJAEZSDYTWCZ-KRWDZBQOSA-N 352.438 2.450 0 40 FEAB CCOc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)cc1 21152357 LZYQUXYQMNYNRY-IBGZPJMESA-N 357.454 2.227 0 40 FEAB O=C1CO[C@]2(CCCN(C[C@@H]3CCOC3)CC2)CN1c1ccc(F)cc1 2037988885 MOXCIHDVTHPWNM-JXFKEZNVSA-N 362.445 2.450 0 40 FEAB O=C(c1csnn1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542768 PWMOPDDBBLGION-WMZOPIPTSA-N 374.466 2.161 0 40 FEAB NC(=O)c1nn(-c2ccccc2)nc1NC(=O)COc1ccccc1Cl 720105 TUEMEEKKMLPKQU-UHFFFAOYSA-N 371.784 2.037 0 40 FEAB CC(C)CC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745852 IANCMUMWAHPYIR-UHFFFAOYSA-N 350.488 2.241 0 40 FEAB Cc1ccc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)s1 2055746462 IPNMHRZONXJRFG-UHFFFAOYSA-N 361.515 2.325 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1ccccc1F 2055739245 ORTUOXIKPDQNEZ-GFCCVEGCSA-N 357.385 2.241 0 40 FEAB O=C(c1cnccn1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974957 YKQAVJCYHDOPBW-UHFFFAOYSA-N 367.796 2.051 0 40 FEAB Cc1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n2nccc2n1 1775978911 VLVWIYLVPYAURQ-UHFFFAOYSA-N 361.409 2.414 0 40 FEAB Cc1nc(C)c(-c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)o2)s1 49029331 LGWOYYQHOMKAHR-UHFFFAOYSA-N 371.378 2.357 0 40 FEAB O=c1cc2c(nn1CC1CN(c3ncnc4sccc34)C1)CCCC2 585604308 HCHOMWXOUMIOQN-UHFFFAOYSA-N 353.451 2.263 0 40 FEAB COc1ccc(C[C@@](C)(O)CNC(=O)c2ccc3nsnc3c2)cc1 75155548 VOXVTQRBCVVEDG-GOSISDBHSA-N 357.435 2.423 0 40 FEAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 21325452 FVROKTDRKUHRKO-UHFFFAOYSA-N 364.375 2.402 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 41648182 IQEBXANAFYDGAU-UHFFFAOYSA-N 374.462 2.491 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 47343126 WHRFSIGECUOVMC-UHFFFAOYSA-N 361.365 2.313 0 40 FEAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 77676001 GSVYBDTVYNSMMO-LLVKDONJSA-N 365.373 2.270 0 40 FEAB C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 97250768 QJNSEEWRALTBPE-JQWIXIFHSA-N 359.253 2.343 0 40 FEAB CC(=O)N1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 79008262 DRTOHWCLOCERAO-LJQANCHMSA-N 358.486 2.087 0 40 FEAB CC[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1cc(C)on1 23628557 RHUMADQJXCIDAR-ZDUSSCGKSA-N 352.416 2.184 0 40 FEAB CCC[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC(C)(C)C 4898651 FNJHVSBXLUSCAD-HNNXBMFYSA-N 362.426 2.039 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)c(C)n23)n(C)c1=O 4912299 FZIXSRUOYUUJJD-UHFFFAOYSA-N 371.828 2.429 0 40 FEAB O=C1N[C@H](c2ccccn2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 106213519 GYLRWBUJBMENNA-MISXGVKJSA-N 371.340 2.247 0 40 FEAB Cc1cccc(NCC(=O)NC(=O)NCC(C)C)c1C(=O)N1CCCC1 55846821 BKZNEVMXXHWPQT-UHFFFAOYSA-N 360.458 2.125 0 40 FEAB Cc1ccccc1N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CC1=O 8217133 OMXZDTMSMBWVIS-HNNXBMFYSA-N 352.390 2.393 0 40 FEAB CCCNC(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 12596877 CQAWHMZPAVYKQA-SFHVURJKSA-N 353.422 2.079 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC1 57186128 MTKMVTIMULQCTO-UHFFFAOYSA-N 362.445 2.201 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@H](C(=O)C(F)(F)F)[C@@](O)(C(F)(F)F)N1 12699505 RZHJVSSVXQYSRJ-SOCHQFKDSA-N 356.222 2.039 0 40 FEAB COc1ccc(S(=O)(=O)NCc2nc(Cc3ccccc3)no2)cc1 58178160 LGWIBOBPSGASKE-UHFFFAOYSA-N 359.407 2.148 0 40 FEAB COc1ccc(CCC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1 58201468 KOCMAKRNBLTTTJ-UHFFFAOYSA-N 354.454 2.383 0 40 FEAB CCc1[nH]c(C(=O)N(CCOC)Cc2ccccn2)c(C)c1C(=O)OC 58245667 NULHXCUIMDLQAV-UHFFFAOYSA-N 359.426 2.356 0 40 FEAB CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229574 DZFZJCLDWOJGMF-OAHLLOKOSA-N 354.472 2.073 0 40 FEAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCCC(=O)O)c(C)c2oc1=O 2155004 HDHZUYKCECICBX-ZDUSSCGKSA-N 361.394 2.467 0 40 FEAB biogenic C[C@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)NC1CCCC1 12774876 WZKYKBPLVBFGCW-DOTOQJQBSA-N 372.465 2.068 0 40 FEAB CCCc1nnc(SCc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)[nH]1 102621361 AYZBOLRCZSQAKL-UHFFFAOYSA-N 367.438 2.448 0 40 FEAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1Cc2ccccc2O1 69496498 SGXQAQBMWZYVEP-ICSRJNTNSA-N 352.434 2.180 0 40 FEAB CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[nH]n1 58159828 ROOLYUHEBZVOSU-UHFFFAOYSA-N 362.455 2.400 0 40 FEAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 84734435 PWTQVCRACDLREC-IRXDYDNUSA-N 350.484 2.207 0 40 FEAB Cn1cc(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)cn1 2777672 YPOJLIBLWXCFMV-UHFFFAOYSA-N 361.755 2.483 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(N)=O)c1C 9112602 HGMDAMKYPLTENR-UHFFFAOYSA-N 358.394 2.477 0 40 FEAB Cc1cc(C)n(C(=O)Cc2nnc(O)c3cc(-c4cccs4)nn23)n1 71328562 ZECZTNNVFGCDDR-UHFFFAOYSA-N 354.395 2.255 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)cc1Cl 13943497 CUOUIBQGLVFBHN-LLVKDONJSA-N 360.863 2.028 0 40 FEAB C[C@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc[nH]n1 95405470 XTVWCJXRZQWEML-VIFPVBQESA-N 357.395 2.077 0 40 FEAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 14098606 UIOBHIICNLTHNE-TXEJJXNPSA-N 362.442 2.131 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)ccc1Br 9366487 NSJPIPCKXNAYTN-ZDUSSCGKSA-N 354.248 2.036 0 40 FEAB CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1 4694822 CZLIZDPHPGKJCG-UHFFFAOYSA-N 352.843 2.277 0 40 FEAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(OC(F)(F)F)cc1 7677093 UAVRKOOCTRSJPG-UHFFFAOYSA-N 356.256 2.069 0 40 FEAB COc1cccc(CC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 7682175 PTXGMXKOKSOQMA-UHFFFAOYSA-N 367.361 2.470 0 40 FEAB COCc1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 7936640 LXNQJERMQMKOSI-UHFFFAOYSA-N 357.362 2.035 0 40 FEAB CCOc1ccccc1N1C[C@H](C(=O)N(C)Cc2cccnc2)CC1=O 8394214 DEAXNLHDWJRFFZ-MRXNPFEDSA-N 353.422 2.492 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1n[nH]c(=O)c2ccccc12 18154885 ZKLKUBNZXLBMRX-UHFFFAOYSA-N 365.389 2.243 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1 95969453 SDRAAOJFXNSXOD-OAHLLOKOSA-N 366.845 2.418 0 40 FEAB C[C@@H]1CCN(C(=O)Nc2nncs2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 72315980 OHJVTMZYPQOWPS-PWSUYJOCSA-N 372.458 2.188 0 40 FEAB in-vitro CC(=O)N1CCOC[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)O2)C1 306137038 QJSSKPFIDCHXEL-ZBFHGGJFSA-N 373.375 2.309 0 40 FEAB COc1ccc([C@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 20013274 IDPNHUJMAUWIDQ-AWEZNQCLSA-N 368.499 2.467 0 40 FEAB O=C(NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC[C@@H]2C[C@@H]2C1 408499744 MMKYGKUKVCMCJM-OPRDCNLKSA-N 359.245 2.085 0 40 FEAB Cc1nc(COC[C@@H]2CCOC23CN(C(=O)N2CCCC2)C3)cs1 306140593 UYKOWTQKIVWKDP-AWEZNQCLSA-N 351.472 2.275 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408592463 KPPWPTACAPFOHW-AWEZNQCLSA-N 356.488 2.257 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nn2c(N)nc(-c3ccccc3)c21 409417574 JDEZRGUTJISAQU-CQSZACIVSA-N 361.405 2.637 0 40 FEAB CN1C(=O)C(=O)N2c3ccc(Cl)cc3[C@]3(c4ccccc4)N=C[C@]12O3 31759994 ARVGAFIPEMEJTK-ZWKOTPCHSA-N 353.765 2.115 0 40 FEAB COc1ccc(CN2CCC[C@H]2c2nc(-c3cncnc3N)no2)cc1 35425964 WSBNUOVGHXYMBY-HNNXBMFYSA-N 352.398 2.455 0 40 FEAB biogenic,in-vitro CN(C[C@@H]1CCCN(Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 36740645 VJPLICXXVQSGRV-RBUKOAKNSA-N 350.528 2.408 0 40 FEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217502380 GNRJBCWHGDABQC-GXTWGEPZSA-N 370.471 2.443 0 40 FEAB Cc1c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)ccn1CCO 44900512 QAJXGEKYEPMXSM-UHFFFAOYSA-N 371.220 2.473 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2cc(F)ccc2OC)c1 223752947 MCOHQOPVPZGVOX-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB COc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1OC 85879356 PLQNCHDDFUVREM-ZBFHGGJFSA-N 368.433 2.168 0 40 FEAB biogenic Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C 223977334 ZYTOFRRKXPEUDC-UHFFFAOYSA-N 363.435 2.432 0 40 FEAB CC(C)C(NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)C(C)C 224765164 OREDBYREYSTKLK-UHFFFAOYSA-N 362.521 2.482 0 40 FEAB CCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)cc3)c2)n1 49007532 GVKQWFCSTBZCHK-UHFFFAOYSA-N 354.366 2.108 0 40 FEAB C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 224652790 HZQNQSVAUCZVLD-CQSZACIVSA-N 364.442 2.465 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96237750 WKBJJXHKCPYYFW-NRFANRHFSA-N 367.424 2.389 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)o1 96078649 NQAWNWUAVRJGEU-INIZCTEOSA-N 369.421 2.491 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4cccnc4)C3)OCC2=O)s1 96051468 UNKGVKSQFIPKSO-LJQANCHMSA-N 373.478 2.086 0 40 FEAB CCn1cc(CN2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)cn1 249688277 IGBSYYRZDFITAI-IBGZPJMESA-N 356.470 2.496 0 40 FEAB COc1ccccc1CC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257274391 NKXBITVSDABAJF-KRWDZBQOSA-N 355.438 2.075 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)cc1 252501340 UEKWMQCOKQZZFS-SFHVURJKSA-N 352.390 2.428 0 40 FEAB O=C(O)CCNC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1 256028236 ZTOUPNXMXIFZAA-UHFFFAOYSA-N 367.357 2.430 0 40 FEAB Nc1cccc([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257231404 GGOFVEYFRBTSIH-KRWDZBQOSA-N 351.410 2.004 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)CCn3nnc4ccccc43)CCO2)ccn1 257317386 VJOQNIIFUHZTCZ-SFHVURJKSA-N 351.410 2.125 0 40 FEAB CNCC(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257335763 YLTHDAUKUMUYTQ-XYYCENQHSA-N 360.498 2.205 0 40 FEAB CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)[C@@H]1COc2ccccc2C1 281073910 AGDNDQMZOCNMSQ-ULQDDVLXSA-N 370.428 2.103 0 40 FEAB Cc1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)nc(O)n4C3CC3)C2)n[nH]1 616295644 DGSLNPBKRKNMKX-GFCCVEGCSA-N 352.398 2.133 0 40 FEAB C[C@@H](c1ccccc1)n1cc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cn1 646442766 WAVBAFRSRQRLTP-FUHWJXTLSA-N 371.485 2.461 0 40 FEAB CCCn1c(C)nnc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 671563802 HSISAHDVDUOMMH-QFBILLFUSA-N 359.522 2.245 0 40 FEAB CC1(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(F)cn2)CCOCC1 1775996689 DXHKUKGXKMSKII-DZGCQCFKSA-N 363.433 2.052 0 40 FEAB CCc1ccc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)cc1OC 585088719 MEUJOZZPVMEUHH-IBGZPJMESA-N 363.458 2.095 0 40 FEAB CNC(=O)[C@@]1(C)CCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 585282256 CFASPODMPSOTQZ-IBGZPJMESA-N 363.477 2.005 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)c1 585273404 UMVNQTWRTYGEAO-NRFANRHFSA-N 355.434 2.070 0 40 FEAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(C(=O)OCC)C2)n1 44598454 CNVIBGKXGKEQDF-JTQLQIEISA-N 355.416 2.127 0 40 FEAB CCc1ccc(O)c(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 58227133 REIAPLGWBTXRJE-INIZCTEOSA-N 371.359 2.258 0 40 FEAB COc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)c(OC)c1 5432852 LYKMEDIGKQYMNV-GOSISDBHSA-N 362.470 2.211 0 40 FEAB Cc1cc2nc(C[C@@H](NC(=O)c3cnccn3)c3ccccc3)cc(O)n2n1 19130063 DYLCESBEAVCSKT-MRXNPFEDSA-N 374.404 2.247 0 40 FEAB CC1CCN(c2nc(CNC(=O)c3cccc(F)c3F)cc(=O)[nH]2)CC1 19497058 CCUQBEJJCSXMIX-UHFFFAOYSA-N 362.380 2.214 0 40 FEAB CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1 19501844 GQDCJKWYQHJARC-CQSZACIVSA-N 360.462 2.320 0 40 FEAB CN1CCc2c(O)nc(C3CCN(C(=O)CC4CCCC4)CC3)nc2C1 19590731 OIXPEAZPWKGIOG-UHFFFAOYSA-N 358.486 2.456 0 40 FEAB O=C1CC[C@H](CCC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)N1 19717317 KCFBFHHFACLNSA-CYBMUJFWSA-N 369.387 2.413 0 40 FEAB Cc1cnc2c(C(=O)N3CCC[C@](C)(C(=O)NC4CCCC4)C3)cnn2c1 19746681 GBGAFQOCKQUDBF-FQEVSTJZSA-N 369.469 2.339 0 40 FEAB CN=c1cc([C@@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)cc[nH]1 607854418 SDYHLFJCQLFRKU-SFHVURJKSA-N 353.470 2.126 0 40 FEAB O=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2nsnc2c1 225562917 GKTGWHZBDKREEV-UHFFFAOYSA-N 360.483 2.312 0 40 FEAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCCN2CCOC2=O)c1C 29391406 KBFRSPTUPZVDTR-UHFFFAOYSA-N 352.412 2.322 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1 21694316 CFANUVXROXHADB-UHFFFAOYSA-N 360.435 2.369 0 40 FEAB CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)c1 6579835 ODLSGFXLUWGKKS-MRXNPFEDSA-N 352.346 2.331 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(-c2ccccc2)[nH]n1 7028236 JULXIMWLUYRKGH-UHFFFAOYSA-N 370.390 2.033 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 7941023 CUZJIUIUBIGITB-UHFFFAOYSA-N 363.826 2.359 0 40 FEAB Cc1nc(C)c(F)c(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 1888854191 GVGUOQUYGUEFPO-UHFFFAOYSA-N 356.327 2.368 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(c3cc(C)nc4ccnn34)CC2)n1 1888896981 UWRRDDJCVLQNFF-UHFFFAOYSA-N 369.498 2.493 0 40 FEAB Cc1cccc(NC(=O)NCC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 25147973 XGLPIUNQOXTYIZ-UHFFFAOYSA-N 365.397 2.039 0 40 FEAB Cc1nccc(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037980937 NNWTVYQPHGQSEF-HXUWFJFHSA-N 352.438 2.041 0 40 FEAB O=C1C[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1ccc(F)cc1 1614939724 WWTPFOBCKWJJIN-FQEVSTJZSA-N 355.413 2.476 0 40 FEAB CCS(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 4585902 JOIONCQVHYEEFM-UHFFFAOYSA-N 352.437 2.154 0 40 FEAB Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421241 BWCZNPKGERLPEB-UHFFFAOYSA-N 367.409 2.207 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC 8924588 LZEYBRIIZRFQIF-AWEZNQCLSA-N 354.406 2.487 0 40 FEAB CN(C)S(=O)(=O)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 2055822702 IMUSEFWTSAKHMQ-UHFFFAOYSA-N 371.547 2.078 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7641215 VVFYPQKVNNYPAD-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](C)C(=O)O 33929424 QVZGIXXEDINKGE-MLDYKZIASA-N 368.389 2.055 0 40 FEAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40058434 RVABICWWYZAZCW-MRXNPFEDSA-N 361.829 2.285 0 40 FEAB CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1OC(F)F 40090590 WEDYLGKRHDVHQL-NSHDSACASA-N 369.368 2.186 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1C 40087124 MJGZAOSZORVQRZ-MRVPVSSYSA-N 373.638 2.315 0 40 FEAB CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20267469 KKEZGTMWHNCESU-FOCLMDBBSA-N 353.378 2.312 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccco2)CC1 32744515 IIQSUPKRPOXMSO-OAHLLOKOSA-N 370.405 2.088 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)N[C@@H]2CCCc3c2cnn3C)cs1 52577921 ZKMJTEBNVMGOIR-CYBMUJFWSA-N 361.471 2.207 0 40 FEAB CSc1ccccc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422779 KENGZHMMIDPWTP-UHFFFAOYSA-N 361.448 2.273 0 40 FEAB O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 818461 IYOGYSWHPBUXBJ-CYBMUJFWSA-N 354.447 2.285 0 40 FEAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1=Cc2ccccc2CC1 97015122 QDVVPPODFWTJFR-INIZCTEOSA-N 374.466 2.166 0 40 FEAB O=S(=O)(Cc1nc(-c2ccco2)no1)Cc1cccc2c1OCCO2 105520219 VWCPDYFBPNATQI-UHFFFAOYSA-N 362.363 2.216 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1F 97015818 RNRSNHGTBXJVNG-ZDUSSCGKSA-N 352.387 2.071 0 40 FEAB Cc1csc(=O)n1CCSc1nnc(Cc2ccccc2F)n1N 8724169 HDRGDVIOBCAOSS-UHFFFAOYSA-N 365.459 2.046 0 40 FEAB CC(=O)N1CCN(C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 25057962 VRUZGCVWYBIYFU-UHFFFAOYSA-N 360.454 2.076 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccnc2)c(OC)c1 48080997 FECWESQNBLVQNX-QGZVFWFLSA-N 369.421 2.020 0 40 FEAB Cc1cccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cnc(N(C)C)nc1)C2 100149203 MEDGYCJCUKUPNU-QZTJIDSGSA-N 367.497 2.366 0 40 FEAB COc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)cc1OC 56181965 DGSQEVWAADAFCI-CHWSQXEVSA-N 351.447 2.225 0 40 FEAB C[C@H](NC(=O)COC(=O)c1ccc(-n2cccn2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2 107329421 GPKAYWUQKAGXSG-JKQORVJESA-N 368.437 2.365 0 40 FEAB CCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)cc1 57392254 JRMGVNSUQXGQOD-OAHLLOKOSA-N 355.442 2.025 0 40 FEAB Cn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)ccc1=O 23323877 NXZDPPSOYXBYIJ-UHFFFAOYSA-N 351.391 2.409 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 95349481 XNPNGOGNMOUXCX-JOQOYGCGSA-N 370.405 2.115 0 40 FEAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2237760 LZOLPEHHJXDGFP-UHFFFAOYSA-N 372.498 2.208 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48311505 PFTDGKCWYYRXJW-GFCCVEGCSA-N 353.806 2.416 0 40 FEAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C(=O)Nc2cc(C)on2)cc1 45877499 LXNSNGAUBVLVLF-HNNXBMFYSA-N 373.409 2.429 0 40 FEAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 11779012 ANKQOYXPZZIUTR-GJZGRUSLSA-N 360.454 2.494 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1 175400918 NJHCGIMBNCFJJG-UHFFFAOYSA-N 374.462 2.309 0 40 FEAB COc1ccccc1-c1nnc(SCC(=O)N(C(C)C)C(C)C)n1N 3597507 HWUKKVFAATXOHM-UHFFFAOYSA-N 363.487 2.405 0 40 FEAB COc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 4158926 KZRUEWQPSFDTAX-DLBZAZTESA-N 361.419 2.130 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCC[C@H](c2nnc3ccccn23)C1 13686061 DCDNCRVXWMNCGR-ZDUSSCGKSA-N 360.414 2.437 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)c1cccs1 14166143 IXJJNDWXRRKJMJ-UONOGXRCSA-N 372.446 2.309 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCCCCC2)cc1 408701646 BMYILVAEVZUPMR-UHFFFAOYSA-N 353.488 2.054 0 40 FEAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 7307196 DTIXRQDURBNSOH-SFHVURJKSA-N 368.414 2.281 0 40 FEAB Cc1cccc(CN2C[C@H]3OC[C@H](CNC(=O)c4csc(C)n4)[C@H]3C2)n1 306141195 VOBHBADLSYCZAN-YXJHDRRASA-N 372.494 2.032 0 40 FEAB COc1ccc(C(=O)COC(=O)CCn2c(C)csc2=O)c(OC)c1 7735659 MBRCFFNZKMXYOW-UHFFFAOYSA-N 365.407 2.052 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H]1CCCc2ccccc21 8519460 HROSXNWIWFAUAM-MRXNPFEDSA-N 355.438 2.435 0 40 FEAB CCOc1ncccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 18046704 JYKOFCRHZFJVHJ-GOSISDBHSA-N 373.428 2.423 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 8768287 LNMJUJIHHTZGEB-JLZSUIFSSA-N 361.486 2.428 0 40 FEAB Cc1nn2c(/C=C/N(C)C)c(S(C)(=O)=O)nnc2c1-c1ccccc1 1548338235 NQNCPWUETCRUPI-ZHACJKMWSA-N 357.439 2.036 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 408614565 DSSZSHFCZOFAEV-AWEZNQCLSA-N 351.406 2.346 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 39986578 SOXFUSCHNBDHMD-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB COC(=O)c1cc(C(=O)OC)c2cc(I)ccc2n1 36463910 ZNWXXDFLQQSSOD-UHFFFAOYSA-N 371.130 2.413 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 72393903 YVETUKJPRSHEGU-HNNXBMFYSA-N 365.437 2.321 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCCC1 43466924 GVBDUJTZFBUZRW-UHFFFAOYSA-N 367.471 2.162 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCc2ccc(OC)cc2)c1 225748584 UVTWJAAGKOXTJB-UHFFFAOYSA-N 363.435 2.393 0 40 FEAB COCc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 227168478 UJVOFVIWKQQPFH-NSHDSACASA-N 362.407 2.353 0 40 FEAB COc1ccc2occ([C@@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)c2c1 85879494 CDLOEXZQTDHZOC-NSHDSACASA-N 353.330 2.239 0 40 FEAB biogenic COc1cc(OC)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 143549657 HBVVRDUKXQTZSV-UHFFFAOYSA-N 370.449 2.427 0 40 FEAB Cc1nnc(N2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)s1 96217920 AVDOLQALRLWQCP-PBHICJAKSA-N 350.488 2.092 0 40 FEAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)c1ccccc1F)CC2 96254794 IWXLWXBEWAYMJD-UHFFFAOYSA-N 370.428 2.002 0 40 FEAB Cn1nccc1-c1ccc(CNC(=O)N2CCC[C@H](n3ccnn3)C2)cc1 585140124 DBGKOYGGRJVKBF-KRWDZBQOSA-N 365.441 2.225 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](CCOc3cnccn3)CCO2)C1 247894892 UQXJXYAAGGZUMJ-INIZCTEOSA-N 370.453 2.330 0 40 FEAB Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2ocnc2C)C3)cs1 248071848 YTJWNGBOFMOSFO-CYBMUJFWSA-N 363.439 2.196 0 40 FEAB Cc1c(CCC(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cnn1C 257242898 IEQKMGFYCKYVHW-LJQANCHMSA-N 357.458 2.183 0 40 FEAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 257279269 OFVQFNDMGKDSNN-HNNXBMFYSA-N 356.474 2.250 0 40 FEAB C[C@@]1(NC(=O)c2ccnc(Cc3cccc(F)c3)c2)CCS(=O)(=O)C1 257237777 HIDKWOWBMVGVMV-GOSISDBHSA-N 362.426 2.119 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2ccncn2)C1 257213949 CJUSJILOBNNBSV-CQSZACIVSA-N 364.409 2.243 0 40 FEAB O=C(COc1ccc(Cl)cc1Cl)N1CC(Nc2cccnn2)C1 618255257 AJMSNRYOQMJFBD-UHFFFAOYSA-N 353.209 2.485 0 40 FEAB CC[C@H](CO)N(CC(=O)Nc1ccc2nc(O)[nH]c2c1)Cc1ccccc1 1659865644 OXFSTEOSQFPGAI-MRXNPFEDSA-N 368.437 2.480 0 40 FEAB CCN1CCN(c2ccccc2NC(=O)c2ccc(C(=O)O)nc2)CC1 640285666 RTDBKPNQYYFXPB-UHFFFAOYSA-N 354.410 2.174 0 40 FEAB CN(C)Cc1ccnc(NC(=O)NC2CCN(c3nccs3)CC2)c1 640568691 DBMPAYPYDVVTCR-UHFFFAOYSA-N 360.487 2.390 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 643994306 BTLGHMFFSSNQJS-FQEVSTJZSA-N 354.406 2.321 0 40 FEAB Cc1cc(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)on1 1621694999 YPLJRNFUDUTWIZ-UHFFFAOYSA-N 369.830 2.390 0 40 FEAB Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cccc(S(C)(=O)=O)c1)O2 650975379 QXMHQZYBGVPUPQ-GOSISDBHSA-N 359.447 2.409 0 40 FEAB O=C(CNS(=O)(=O)c1cccs1)N1CC(c2ccc(Cl)cc2)C1 665556596 IYCSLSZKTGYBQB-UHFFFAOYSA-N 370.883 2.306 0 40 FEAB COc1cc2c3c(c1)[C@](O)([C@@H]1COCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816499 JCSNJPRMWGCWQI-QRWLVFNGSA-N 357.406 2.031 0 40 FEAB CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(C(=O)c1cscn1)C2 1775994874 MVBYUJOTOROZSM-LBPRGKRZSA-N 359.451 2.340 0 40 FEAB COCC[C@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1 585095485 SWIUQSQTCKJFQG-OAHLLOKOSA-N 364.467 2.354 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(C(C)=O)c2)s1 32549661 HLEGUKLAXSFGNP-UHFFFAOYSA-N 353.421 2.355 0 40 FEAB Cc1ccccc1C[C@H](C)NC(=O)c1cnn(-c2ccc(O)nn2)c1C 58213199 HEEVQXLJOHNTPR-ZDUSSCGKSA-N 351.410 2.346 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)cs1 585610894 FVNQZMJOMVEXRH-KBPBESRZSA-N 355.467 2.327 0 40 FEAB Cc1cccc(-c2cc(CNCCCN3CCCC3=O)c3nnnn3c2)c1 12224410 DDNQCGVTQCRHPY-UHFFFAOYSA-N 364.453 2.202 0 40 FEAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580516 VSBMFEHKPNCYFH-CHWSQXEVSA-N 372.462 2.150 0 40 FEAB COc1ccc(CCNC(=O)Cc2ccc3c(c2)OCCO3)cc1OC 15652269 DUZPIWNIWORIEQ-UHFFFAOYSA-N 357.406 2.376 0 40 FEAB COc1ccc([C@H]2NN(C)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 19171813 YCILQXDYTKVXSL-KURKYZTESA-N 351.406 2.053 0 40 FEAB Cc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19234626 PZPPUCRQOJDJDK-KRWDZBQOSA-N 350.466 2.332 0 40 FEAB O=C(NCc1nnc(-c2cnccn2)o1)c1cccc(N2CCCC2)c1 19294380 BCDYPQLHQMOWBC-UHFFFAOYSA-N 350.382 2.057 0 40 FEAB CN1CCc2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 19590492 FBDTYZIPLSQJLM-OAHLLOKOSA-N 372.494 2.033 0 40 FEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccn2)C3)cc1 100162106 JLMJMSKKRMSZPL-GJZGRUSLSA-N 374.462 2.294 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3(c4ccsc4)CC3)cc21 1888962968 GVBHDFMQAYGZJB-UHFFFAOYSA-N 364.448 2.203 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)c1F 2086968273 MDFMKAGUYQEXJR-KBPBESRZSA-N 368.460 2.338 0 40 FEAB O=C(NC[C@@]1(OCCO)CCSC1)c1cccc(Br)c1 1565520435 TZCOUBILAMFCAN-AWEZNQCLSA-N 360.273 2.064 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2720189 CCQCIDNJPJZYFV-UHFFFAOYSA-N 364.427 2.230 0 40 FEAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 2711022 CSQQBEMRVOAXTG-KBPBESRZSA-N 364.423 2.013 0 40 FEAB COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 5193723 WRCJZHDJUKOFJF-OAHLLOKOSA-N 357.385 2.439 0 40 FEAB COc1ccc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1 10217685 FSAZJGAWINATOP-UHFFFAOYSA-N 368.389 2.280 0 40 FEAB Cc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)on1 11739325 NWWUDRGBBNYVPH-UHFFFAOYSA-N 359.367 2.349 0 40 FEAB COc1ccc(CC(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1 16953635 JXSMQOLOTLWGGX-UHFFFAOYSA-N 357.801 2.183 0 40 FEAB CCn1nc(C)c(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3CO2)c1C 225791388 XBVHZBILCWPBFH-QGZVFWFLSA-N 363.483 2.282 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)N(C)C)cc1 32200444 YYHJRAWFDIILMB-GOSISDBHSA-N 367.453 2.318 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3F)CC2)no1 32472719 OLFCNEZHKXMBNJ-UHFFFAOYSA-N 361.373 2.378 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 22319898 QHHFSEBFZQPBKT-UHFFFAOYSA-N 363.845 2.363 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O 61721508 QTMMIKPZGDWPHG-NSHDSACASA-N 372.450 2.167 0 40 FEAB COc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)cc1 902381 KSXDUTOXWRJLNU-UHFFFAOYSA-N 362.440 2.073 0 40 FEAB C[C@@]1(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1(Cl)Cl 78774277 NQCJJZNVKIIIJY-HNNXBMFYSA-N 356.253 2.018 0 40 FEAB CC(=O)c1ccc(N2CCN(C[C@H](O)COCc3ccco3)CC2)cc1 23389263 IHNUULJQWQCEBL-IBGZPJMESA-N 358.438 2.182 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 941601 VEWLOHQLVSVDKY-CYBMUJFWSA-N 366.373 2.161 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1 54591633 NXJXVFSMBXMXOO-UHFFFAOYSA-N 373.840 2.407 0 40 FEAB CCN1C[C@@H](CN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)Oc2ccccc21 24574219 BEPFEKNPDYGUKS-ZACQAIPSSA-N 369.465 2.114 0 40 FEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC(C)C)ccc21 4969161 ZQBVEOBFMRRUPT-UHFFFAOYSA-N 354.472 2.079 0 40 FEAB CNC(=O)[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 97025438 LDGBUVVVOKBHSY-HNNXBMFYSA-N 352.312 2.330 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1ccc2c(c1)CCC2 56008577 LPGKANBPGCYOCQ-UHFFFAOYSA-N 363.417 2.080 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 26000145 WQLYFJVOKFOAIG-CYBMUJFWSA-N 357.410 2.198 0 40 FEAB COc1cccc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)c1 57331793 URLOSPPWXRRCNZ-UHFFFAOYSA-N 357.429 2.273 0 40 FEAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1 59019803 PBUMTMRFCLGOGR-UHFFFAOYSA-N 367.430 2.046 0 40 FEAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCO[C@H](Cc2ccccc2)C1 179672799 SXWIDEKSPBVCRT-RTBURBONSA-N 366.465 2.313 0 40 FEAB O=C1NCCCC[C@@H]1Sc1nnc(S[C@@H]2CCCCNC2=O)s1 48279164 NZRRVIJBPYONJJ-AOOOYVTPSA-N 372.541 2.060 0 40 FEAB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@H](O)c1ccccc1 12762115 UHOHWZIYMXJVIX-KRWDZBQOSA-N 350.353 2.455 0 40 FEAB Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12786430 WZEFOGIDMKPDEV-KRWDZBQOSA-N 359.451 2.436 0 40 FEAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 26836555 OPSPHDSEBPMNJF-UHFFFAOYSA-N 367.423 2.070 0 40 FEAB O=C(COC(c1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 58263406 DFTMYAKKEZKFBO-QGZVFWFLSA-N 359.447 2.096 0 40 FEAB CN(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(O)c(Cl)c2)c1 58218705 AKLIMGODKSBUMP-UHFFFAOYSA-N 361.829 2.476 0 40 FEAB C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)NC(=O)NC1CC1 21976363 IJUCAEFDLMKAFS-JTQLQIEISA-N 370.858 2.493 0 40 FEAB CC(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cccs1 58210902 GLDPLNITXFDYLL-LBPRGKRZSA-N 355.485 2.251 0 40 FEAB COc1ccc(N2CN(C[C@H]3CCCO3)Cn3c2nc(C)c(C)c3=O)cc1 36125678 LDUXTSPXXJRCQJ-GOSISDBHSA-N 370.453 2.416 0 40 FEAB C[C@H](Sc1nnnn1CCc1cccs1)C(=O)NCc1ccco1 48302072 KILCOMLMRXUFOD-NSHDSACASA-N 363.468 2.367 0 40 FEAB O=C(Cc1cn2ccsc2n1)NCCc1cc(F)cc2c1OCOC2 58357044 MHIOJFRCNFYHKP-UHFFFAOYSA-N 361.398 2.303 0 40 FEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccco2)n1 10668789 AACWBNGEQGZKAU-UHFFFAOYSA-N 357.322 2.209 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)c1 72287767 CDLVHXXHFPKXJP-LJQANCHMSA-N 365.437 2.433 0 40 FEAB CCN(CC)C(=O)N1CCC(C(=O)NCCN(C(C)C)C(C)C)CC1 36396593 PXIDSTYQUQRXFC-UHFFFAOYSA-N 354.539 2.395 0 40 FEAB CCc1cccc(CC)c1NC(=O)CCn1cnc2c(cnn2C)c1=O 11470471 GZFNPMHCPYXCSL-UHFFFAOYSA-N 353.426 2.284 0 40 FEAB CN(Cc1ccnn1C)C(=O)CCS(=O)(=O)c1ccc2ccccc2c1 2809524 FCMOXAPHWZZJKQ-UHFFFAOYSA-N 371.462 2.396 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1 12984827 IBZCGKSFDXIPSK-UHFFFAOYSA-N 369.440 2.460 0 40 FEAB COc1cc(C(=O)NCCc2nnc3ccccn23)ccc1OC(F)F 12976640 UUBLZUTXVCJVLC-UHFFFAOYSA-N 362.336 2.312 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12941766 HNDPZYBJUTXOPA-LLVKDONJSA-N 353.378 2.024 0 40 FEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C[C@@H](C)O1 13126610 ODOFIDABCJUYLF-BETUJISGSA-N 352.456 2.223 0 40 FEAB CCn1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C(N)=O)n1 28236197 JTPVQTDKCOIAKX-UHFFFAOYSA-N 352.398 2.057 0 40 FEAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cn1 13655151 IPTCXMYSNSPWCR-UHFFFAOYSA-N 358.785 2.157 0 40 FEAB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1NCCO 39565009 FBSMIEXQSVPHQU-UHFFFAOYSA-N 374.349 2.223 0 40 FEAB CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1 4295977 BILZJVFHIDZUSG-UHFFFAOYSA-N 356.334 2.420 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1cccnc1)c1ccccc1F 113966361 MLZFWGSGRSLJOR-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 14086234 CYBLQKAJJGAVSR-ZNMIVQPWSA-N 367.515 2.242 0 40 FEAB CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(N)(=O)=O)c1 14251118 VQSWJPLFIGEGDB-UHFFFAOYSA-N 354.453 2.066 0 40 FEAB CC(C)NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5423127 DQCJQCBEHVYZIG-KRWDZBQOSA-N 357.454 2.461 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 84388005 URSDALBLGHJDSF-OAHLLOKOSA-N 364.398 2.117 0 40 FEAB Cc1cc(OC[C@@H](O)CN2C(=O)CN(C)C2=O)c(C(C)C)cc1Cl 66237347 CBFZKRMTPYYAKB-LBPRGKRZSA-N 354.834 2.406 0 40 FEAB COc1ccc(C(=O)Nc2cc3c(cc2C(=O)O)OCCO3)c(OC)c1 6937488 JIWDVWNNFIFSEH-UHFFFAOYSA-N 359.334 2.426 0 40 FEAB COc1ccc2cc(CN3CCC(C(=O)N4CCCC4)CC3)c(=O)[nH]c2c1 67674449 URYCJCJIRNXPEK-UHFFFAOYSA-N 369.465 2.371 0 40 FEAB Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)c1C 15831863 UQPIVWOUTSGFAI-KRWDZBQOSA-N 358.438 2.465 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(F)c1 7675947 MYMLNQXGLUWKOJ-UHFFFAOYSA-N 355.325 2.166 0 40 FEAB C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2NC1=O 7729254 YDZUSVWDZVCOHB-QMMMGPOBSA-N 354.334 2.485 0 40 FEAB CCOC(=O)CCCC[C@@H](C(=O)OC)C(=O)[C@H](C)NC(=O)OC(C)(C)C 22052612 QJOWBWKFPGEJSO-QWHCGFSZSA-N 373.446 2.381 0 40 FEAB in-vitro Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 8116361 VBPJPBQYIQWVMJ-LJQANCHMSA-N 366.417 2.262 0 40 FEAB CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OC 16735393 VRGRUFYRJVBGCX-GDNBJRDFSA-N 369.402 2.366 0 40 FEAB COC(=O)C1(N[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 95452676 NJYYWSNPHQGFIT-SNVBAGLBSA-N 355.232 2.380 0 40 FEAB COc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2F)cc2c1OCCO2 95989766 UJWJKUSBKQYROU-OAHLLOKOSA-N 361.325 2.161 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1 63146709 CDQCOEUUNZSZRB-UHFFFAOYSA-N 367.354 2.200 0 40 FEAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306133244 MGMDLMODXNFSRF-UHFFFAOYSA-N 357.433 2.005 0 40 FEAB Cc1nc(CN2Cc3ccnn3[C@H](C(=O)NC3CC(F)(F)C3)C2)cs1 306123130 AFJKRKGNZSCEFJ-AWEZNQCLSA-N 367.425 2.119 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1cccc2ccccc12 70636196 IOMLDKATEUFWDJ-LJQANCHMSA-N 366.392 2.445 0 40 FEAB COc1ccc2nnc(CCCC(=O)Nc3c(C)nn(C(C)C)c3C)n2n1 79495515 KVOYXKJWZALIGC-UHFFFAOYSA-N 371.445 2.489 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218577965 MXIPGHGGBRUCGT-IKGGRYGDSA-N 350.871 2.244 0 40 FEAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218641746 VMUCPUKAESXWIB-HRCADAONSA-N 355.818 2.109 0 40 FEAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217446466 BBEZHKQNDSBTHK-NSHDSACASA-N 356.444 2.053 0 40 FEAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218046896 WUDWCYMAKWHYLQ-LNLFQRSKSA-N 359.447 2.195 0 40 FEAB CN1CCN(C(=O)CC2CCCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355181 GUUKWQPGZKKJOJ-QGZVFWFLSA-N 359.518 2.056 0 40 FEAB CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC(=O)CC3)nc2N)cc1 71771711 RURROBZFDFLCTC-UHFFFAOYSA-N 374.466 2.184 0 40 FEAB O=C(O)[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218432787 HHBOGWJEQVAYCR-HLLBOEOZSA-N 366.822 2.343 0 40 FEAB CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 74658848 NJZFJTNJQWGUHS-ICSRJNTNSA-N 374.529 2.123 0 40 FEAB CCCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44787012 MOKYFTZAALINOE-CQSZACIVSA-N 360.863 2.173 0 40 FEAB CCOC(=O)c1cccc(NC(=S)NCCCN2CCOCC2)c1C 225585727 FLQZIDXYLWALNM-UHFFFAOYSA-N 365.499 2.180 0 40 FEAB O=C(O)c1ccc(CN2CCOC[C@@]23CCOC3)c(Br)c1 570689688 RVXWINICQLXMGB-HNNXBMFYSA-N 356.216 2.139 0 40 FEAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c1 49403982 WZPMUJYWJXDWCR-UHFFFAOYSA-N 370.434 2.210 0 40 FEAB CCN1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C(=O)OC)CC1 226277977 AIIGXWQWUFQPQD-UHFFFAOYSA-N 373.375 2.140 0 40 FEAB COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222984557 HVKHZEUEKLXRJB-HNNXBMFYSA-N 350.459 2.221 0 40 FEAB O=C(CO[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 96107748 FDDYCVFBORDOSY-AEFFLSMTSA-N 350.484 2.121 0 40 FEAB COc1cccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1 95101319 IXQNTJCICKWGPJ-IDHHARJASA-N 360.410 2.131 0 40 FEAB COc1ncccc1CN1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 96063215 WXGBOHMTLWIAMZ-HXUWFJFHSA-N 352.438 2.110 0 40 FEAB CN1C(=O)CC[C@H](C(=O)NCCCn2cccn2)[C@@H]1c1ccc(F)cc1 96181827 BIQMPFVSPYGWNE-WMZOPIPTSA-N 358.417 2.138 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3ccco3)C2)c1 96227108 XIGAIMSLZNFZSP-MJGOQNOKSA-N 374.462 2.305 0 40 FEAB O=C(c1cccnc1)N1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)C1 96047057 GSZCTAAQFHCHNW-FQEVSTJZSA-N 350.422 2.245 0 40 FEAB Cc1ccc(O[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CCN3C2)cc1 96183526 OHQYBJNYBBQRHS-AZUAARDMSA-N 351.450 2.297 0 40 FEAB CCn1ccnc1[C@@H](Nc1nc(C)nc2c1cnn2C)C1CCOCC1 583617516 KLLSPURHPODEEL-HNNXBMFYSA-N 355.446 2.468 0 40 FEAB COc1ccc(N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)nn1 95478718 NXILWDCQCCKIAD-UHFFFAOYSA-N 369.425 2.299 0 40 FEAB Cc1nc2cc(CCC(=O)N[C@@H]3CCC[C@@H](n4ccnc4)[C@@H]3O)ccc2[nH]1 257258170 KSQZGQCGANYSQQ-YVWKXTFCSA-N 367.453 2.271 0 40 FEAB COCC(=O)NCC[C@@H]1CN(Cc2sccc2C)Cc2ccnn2C1 253599049 KJNBDAXFEVVBGP-OAHLLOKOSA-N 362.499 2.038 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2ccccc2F)C(=O)O)cc1 260679632 TZRPWEHHONALKR-MRXNPFEDSA-N 351.399 2.451 0 40 FEAB O=C1CC(c2cccc(NC(=O)Cc3n[nH]c4ccccc34)c2)CC(=O)N1 1298287687 ASIKUSUVNYGRKO-UHFFFAOYSA-N 362.389 2.264 0 40 FEAB COC[C@@](C)(N)CN=c1cc(C)[nH]c(-c2ccc(Br)cc2)n1 1162536147 BNASLANMYMXSMH-INIZCTEOSA-N 365.275 2.412 0 40 FEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCc2ncncc2C1 96122877 NGDKPXCRZJFHRG-UHFFFAOYSA-N 357.357 2.384 0 40 FEAB CN(CC(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1)C1CCCC1 585277413 UJMLLFMQNIITKV-IBGZPJMESA-N 350.434 2.042 0 40 FEAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1)C[C@]1(CCCN(C)CC1)O2 12365631 PLKTWAMSIWBKKL-GHTZIAJQSA-N 373.497 2.023 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(Nc2ncnc3c2cnn3C)ccc1C 12550341 RCSRHOGNACPVQI-UHFFFAOYSA-N 374.470 2.446 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)c1cc(Cl)c2c(c1)OCO2 17744824 OKRGRHBXTUPBRG-UHFFFAOYSA-N 358.741 2.401 0 40 FEAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)NC[C@H](C)O)CCOCC2)C1 19236958 PLORORJDYQVXAH-HOTGVXAUSA-N 360.454 2.172 0 40 FEAB COc1ccc(C2(CN3CCC(NC(=O)[C@H]4CCCO4)CC3)CC2)cc1 19553640 IITARMMNHWNTGG-LJQANCHMSA-N 358.482 2.486 0 40 FEAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nnc3n2CCNCC3)C1 19709225 MMXKTJCVJKZSLP-HNNXBMFYSA-N 365.437 2.190 0 40 FEAB CCc1cc(C(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCCN3)n2)on1 19709851 IWGOPTLMBBPXKI-HNNXBMFYSA-N 372.473 2.180 0 40 FEAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 205815510 MARFFBVDMKUXMJ-MDWZMJQESA-N 351.380 2.303 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8769922 YZNQPEJYNZRURM-ZDUSSCGKSA-N 370.421 2.154 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccccc1OC(F)F 10114168 JBHBNKCSJVGMOT-CHWSQXEVSA-N 366.364 2.079 0 40 FEAB CC(C)N(C)CC(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 1565544639 PDTJIBIYKRLZHU-UHFFFAOYSA-N 372.513 2.153 0 40 FEAB COCC(=O)Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1 5169070 XNUVRPRZTXNIDE-UHFFFAOYSA-N 360.377 2.438 0 40 FEAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)C(F)(F)F 5259362 SRDAUWNSWKXSIO-UHFFFAOYSA-N 352.316 2.481 0 40 FEAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1ccc(Cl)cc1)CC2 2055731574 GOEGKABXJXHCAN-ZDUSSCGKSA-N 369.874 2.024 0 40 FEAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCOCC3)c(O)n2n1 22854268 GRQASOANQBSIRV-HNNXBMFYSA-N 374.466 2.489 0 40 FEAB C[C@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC1 1784706274 QXODSUBKNRRZIV-CBGDNZLLSA-N 371.481 2.351 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1ccc(C(F)(F)F)nc1 225775665 LRVOUOITKVPUPK-UHFFFAOYSA-N 368.340 2.302 0 40 FEAB O=C(N1CCN(S(=O)(=O)C2CC2)CC1)C1(c2cccs2)CCCC1 44227340 OAKJBWCTBNSZDW-UHFFFAOYSA-N 368.524 2.196 0 40 FEAB O=C(c1cc[nH]n1)N1CCc2nc3ncc(Br)cc3cc2C1 2298136088 ADDAJBIBSBSSBD-UHFFFAOYSA-N 358.199 2.314 0 40 FEAB NC(=O)CN(c1ccccc1)[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112974 KAUPAYYQYYBGET-MRXNPFEDSA-N 359.382 2.344 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19293735 JMCHQEVWHMBVHZ-OAHLLOKOSA-N 354.429 2.210 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CC3)c2N)cc1 19558711 XTFCJOPRVQGQSG-INIZCTEOSA-N 354.410 2.047 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCOc1cccc(Cl)c1 40113666 RCIXQNTZCHAROH-UHFFFAOYSA-N 357.797 2.314 0 40 FEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646837 VPRFJIZEFDHWAX-HITLURFISA-N 371.433 2.491 0 40 FEAB O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3cccc(Cl)c3Cl)C[C@@]23C=C[C@H]1O3 100745410 RRDTTXDOBVEPKD-QHSOUUPTSA-N 354.189 2.360 0 40 FEAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)NC2CCCC2)c1 32035123 SXQDGMWLDOJGCA-UHFFFAOYSA-N 359.451 2.233 0 40 FEAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2)C(=O)N3)cc1 20745878 UUSYDYDRYRJBJW-HNNXBMFYSA-N 363.377 2.476 0 40 FEAB O=C1CCc2cc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)ccc2N1 32841143 LALGRPVWCLRUPL-UHFFFAOYSA-N 365.389 2.461 0 40 FEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccco1 32873756 PAUJLJPNNUGWFP-ROUUACIJSA-N 367.449 2.275 0 40 FEAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccn1 41254631 OBJISGZRGWUAHG-UHFFFAOYSA-N 352.369 2.151 0 40 FEAB COc1cc(C(=O)N(CC(=O)O)C2CC2)cc(OC)c1Br 37589006 PXRCVBBUKJKSMS-UHFFFAOYSA-N 358.188 2.156 0 40 FEAB CCOC(=O)N1CCN(C(=O)Nc2cccc(COCCOC)c2)CC1 47589974 ZVQSQSPNALECCL-UHFFFAOYSA-N 365.430 2.156 0 40 FEAB CC(C)OCCCNC(=O)C1CCN([C@H](C)C(=O)NC2CCCC2)CC1 47769223 ACQFNTUMMBVCBH-MRXNPFEDSA-N 367.534 2.077 0 40 FEAB COc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1-n1cnnn1 1342109 HAAURPOVCIMRCS-UHFFFAOYSA-N 363.333 2.030 0 40 FEAB CC(C)n1[nH]cc/c1=N\C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C 104797324 OJNNCSDCDSUWNA-JITPHZTJSA-N 371.470 2.196 0 40 FEAB CCN(CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2226046 WHMHVBLCJZVDRJ-UHFFFAOYSA-N 372.498 2.289 0 40 FEAB CCn1ncc(CNC(=O)CCn2cc(Br)c(C)n2)c1C 2805153 VJPJHTSWRLBDST-UHFFFAOYSA-N 354.252 2.185 0 40 FEAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-n2cnnn2)cc1 24395240 ZLSJRIVANSVBKL-UHFFFAOYSA-N 373.420 2.179 0 40 FEAB COc1ccc(NC(=O)C(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)cc1 4568634 CYUXMFZLEXGGTG-OAHLLOKOSA-N 373.331 2.129 0 40 FEAB Cn1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 6335620 JSMXUJMMMNOHRI-MRXNPFEDSA-N 366.421 2.093 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)NC(=O)Nc3ccccc3F)nc2n1 6580102 KPUOHGFRVLGVOM-UHFFFAOYSA-N 374.401 2.321 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)n1 6593890 WWOCDUWIKXAFCW-NSHDSACASA-N 362.459 2.387 0 40 FEAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 12535996 FYBIJFIOCTUJDH-OUKQBFOZSA-N 366.464 2.397 0 40 FEAB CC(=O)c1cccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c1 6784596 QKFYADKSIVUJDA-UHFFFAOYSA-N 363.420 2.068 0 40 FEAB CC(C)[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N1C[C@@H](C)O[C@H](C)C1 106530341 BRJKSODYLXEQFL-IIDMSEBBSA-N 372.469 2.487 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)ccc1O 3230351 UOLZRGPAPDEZEM-XVNBXDOJSA-N 371.345 2.325 0 40 FEAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525686 FMCQZZHYOXHPMY-UHFFFAOYSA-N 357.797 2.301 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)s1 12620307 OIRZLXZMLMVVQQ-CQSZACIVSA-N 354.497 2.246 0 40 FEAB CCOC(Cn1cc(C(=O)NCCc2cccc(Cl)c2)nn1)OCC 58174245 VCLNAZGGEKHSNZ-UHFFFAOYSA-N 366.849 2.303 0 40 FEAB O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1 58176694 CUBNDYPAFCQLRI-QGZVFWFLSA-N 371.506 2.406 0 40 FEAB CN1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@H](c2ccccc2)C1 48263242 HLKRIWOXJSSEOV-SFHVURJKSA-N 358.486 2.134 0 40 FEAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 58244938 XHHHRWIKQUVLJA-UHFFFAOYSA-N 368.437 2.281 0 40 FEAB Cc1cc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)n(C)n1 58441542 BXYIHDXQJWXNFW-UHFFFAOYSA-N 362.478 2.357 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCN(C2Cc3ccccc3C2)CC1 54992140 ROEQYFNGGNZIJR-UHFFFAOYSA-N 360.454 2.299 0 40 FEAB Cn1cncc1CN1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 108526061 VZEFMDZEVIRQPR-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccncc1 2263689 AMGHTVWTMSBCJG-UHFFFAOYSA-N 362.365 2.063 0 40 FEAB O=C(NCCCN1CCCC1=O)c1cccc(I)c1 36684375 OCUXWGPIXXGJFY-UHFFFAOYSA-N 372.206 2.034 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O 12005978 WHNSBLFYTMECAR-LLVKDONJSA-N 362.382 2.391 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 46652570 VGGZESXXBIWMFK-UHFFFAOYSA-N 370.814 2.257 0 40 FEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 12996125 DZBMWUMZVMJGGV-LLVKDONJSA-N 374.418 2.176 0 40 FEAB O=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc(=O)[nH]n1 13020689 WMSIGZIPQQUTSI-UHFFFAOYSA-N 359.411 2.024 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 13031880 UPRNSKMNKYFRGY-BPUTZDHNSA-N 351.424 2.296 0 40 FEAB O=C(O)C[C@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(F)cc1 13182970 QIEPSVCBRWDWPA-VXGBXAGGSA-N 362.386 2.470 0 40 FEAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 5088267 CNMALENCZAENLG-UHFFFAOYSA-N 371.784 2.403 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 14184701 BAUBDIVAGGAHCC-WGAFOPHPSA-N 374.437 2.130 0 40 FEAB Cc1cnc(N2CCC(OCc3cccnc3)CC2)nc1-c1ncnn1C 19791310 ZTOXWOLENPEFJH-UHFFFAOYSA-N 365.441 2.161 0 40 FEAB O=C(C[C@@H]1C=CCC1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 7938117 KPGXOBOKELVFOF-OAHLLOKOSA-N 365.451 2.107 0 40 FEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC1CCCC1 8082280 INYFUTZOFUEZKX-MRXNPFEDSA-N 350.484 2.362 0 40 FEAB O=C(O)C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 91292619 VEQDLHLMMZBTRY-ZDUSSCGKSA-N 356.216 2.084 0 40 FEAB O=C(OC[C@@H]1CO[C@@H](COC(=O)c2ccccc2)CO1)c1ccccc1 17185361 IUGQYFOYHIEZQN-HDICACEKSA-N 356.374 2.484 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc2nonc12 83867660 IIPDXQMCVIZRGM-UHFFFAOYSA-N 369.406 2.229 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 32611233 NKUOHVMZLKEOTE-JTQLQIEISA-N 358.236 2.008 0 40 FEAB Cc1cc(C)cc(OCCN(C)CC(=O)Nc2ccccc2C(N)=O)c1 8852065 UCKHYINBUBXBMN-UHFFFAOYSA-N 355.438 2.352 0 40 FEAB Cc1ccc(CNC(=O)c2nnc(CN[C@@H]3CCCC[C@H]3O)s2)cc1 97165560 KJFUQMRVTDHREN-HUUCEWRRSA-N 360.483 2.170 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccsc2)C1=O 409223958 GTVNVEMOPHMFBZ-MDWZMJQESA-N 357.391 2.288 0 40 FEAB COc1ccc(N2C(=O)C[C@H](Nc3ccccc3OC)C2=O)c(OC)c1 36635648 ODRHLRPBBSMUET-AWEZNQCLSA-N 356.378 2.456 0 40 FEAB CCN(C1CC1)S(=O)(=O)c1cc(C(=O)OC)sc1Br 30359717 ROHBRWUTISNQQK-UHFFFAOYSA-N 368.274 2.470 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 30361219 MNBHAZZTKMJNEH-UHFFFAOYSA-N 368.499 2.321 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CN1CCC[C@H](C)C1 72337462 DGTDSTOXWANLNV-LXZKKBNFSA-N 353.470 2.358 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 72390955 ZRLIYCYJNCLMIU-KGLIPLIRSA-N 370.428 2.045 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)nn3cnnc3c2C)c1 71284891 YFYBFOWCUYQKGM-UHFFFAOYSA-N 352.398 2.271 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCCSC(F)(F)F)CC2=O)cc1 40119038 DUEHLZRYUMOJPO-JTQLQIEISA-N 362.373 2.417 0 40 FEAB CN(c1cc(C(=O)NCc2cccnc2)ccc1Cl)S(C)(=O)=O 225972890 NWGFCZJIJUXOSN-UHFFFAOYSA-N 353.831 2.061 0 40 FEAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3)n2)cc1 41153863 NORFNRLXZSRNNQ-UHFFFAOYSA-N 359.407 2.365 0 40 FEAB COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCNC(=O)[C@H]1C 191444572 WIWPYEROGVRIAT-VHSXEESVSA-N 370.247 2.049 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)COc2ccccc2)Oc2ccccc21 96111719 ATJVNCAJTICVRD-RDJZCZTQSA-N 352.390 2.090 0 40 FEAB biogenic,in-vitro Cc1noc(C)c1CN1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 98211927 RKQNNNLJRQTVHD-OAHLLOKOSA-N 357.410 2.415 0 40 FEAB COc1cccc(-c2nn(C)c3c2[C@H]2CN(C(=O)c4ccno4)C[C@H]2C3)c1 96263811 RJINVNXGNXNKGN-HIFRSBDPSA-N 364.405 2.496 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)c(OC)c1 95471744 MGDLHQLFADLNFW-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB O=C1CS[C@@H](c2cccc(O)c2)c2c(O)nn(C3CCOCC3)c2N1 96117302 SQFPDPZGCVZJQL-HNNXBMFYSA-N 361.423 2.421 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)s1 247823153 HOUKRSQXPFSKKK-AWEZNQCLSA-N 368.466 2.427 0 40 FEAB Cc1nn(C)c2nc([C@@]3(C)CCCN(C(=O)c4cncnc4)C3)ccc12 257329490 XKEQZFUHIZSEMP-IBGZPJMESA-N 350.426 2.261 0 40 FEAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(Cc2ccccc2)CC1 252549506 RJSOYWJGDXEXAR-IBGZPJMESA-N 367.449 2.207 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 257233197 GOFMKAJWYRSORI-CYBMUJFWSA-N 356.430 2.141 0 40 FEAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2ccnn2C(C)C)n1 257229842 FZRGFKJOOJGXFE-QGZVFWFLSA-N 355.442 2.472 0 40 FEAB C[C@H](C(=O)NCc1cccc2c1OCCCO2)n1nnnc1C(C)(C)C 272265501 RAYDRJCOCFSQBP-GFCCVEGCSA-N 359.430 2.009 0 40 FEAB CC(C)N1C(=O)CN(S(=O)(=O)CCCc2ccccc2)CC1(C)C 1621855659 IIFVYBXEYMOQQE-UHFFFAOYSA-N 352.500 2.280 0 40 FEAB O=C1C[C@@]2(CCN(C(=O)c3ccc4oc(O)nc4n3)C2)Oc2ccccc21 616281349 ISQUQWSDIRCDJE-LJQANCHMSA-N 365.345 2.179 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@H]2[C@H]3c4cccc(Cl)c4C[C@H]32)CC1 630221310 XKSSDDBTORNSSR-PZLGEANOSA-N 362.857 2.233 0 40 FEAB COCCc1ncc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)s1 639208665 ZZIGOELUMJWOBF-QGZVFWFLSA-N 359.495 2.265 0 40 FEAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640873904 HVPSQKVPXKJODK-WDYCEAGBSA-N 357.429 2.400 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NCc3ccco3)C2)c1 575403289 GUOUEKKAIODCOP-GOSISDBHSA-N 364.405 2.298 0 40 FEAB Cn1cnc(N2CCC(COc3cc(C4CCC4)ncn3)CC2)cc1=O 1565522753 ZSRJPSCEVGORMR-UHFFFAOYSA-N 355.442 2.133 0 40 FEAB COCCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)NC1CC1 5861177 OHDBGFABTUORFA-ZDUSSCGKSA-N 360.483 2.275 0 40 FEAB Cc1cc(C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2n1 12160501 ISKVBMNQBKYHCY-UHFFFAOYSA-N 362.377 2.196 0 40 FEAB COC(=O)c1cc(O[C@@H](C(N)=O)c2ccc(F)cc2)cc(C(=O)OC)c1 12259935 GRMROTUIXLFULI-OAHLLOKOSA-N 361.325 2.004 0 40 FEAB COc1ccc([C@@H](CNC(=O)CN2CCSC2=O)N2CCCC2)cc1 14701049 YADMHSQZLWJCKA-MRXNPFEDSA-N 363.483 2.117 0 40 FEAB CCN1CCO[C@@H](CNC(=O)c2cnc(O)cc2C)[C@@H]1c1ccccc1 501594019 XFQLOCKNNJEVLN-HKUYNNGSSA-N 355.438 2.287 0 40 FEAB Cc1nnnn1-c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 19660883 HNBCPZYCKHVZCF-GFCCVEGCSA-N 365.393 2.233 0 40 FEAB Cc1nc(O)nc(O)c1CN1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@H]2C1 257366560 QXVOYZVKASRLFL-QKMWGZLOSA-N 373.428 2.455 0 40 FEAB COc1ccc(Cc2nnc(C3CCN(S(C)(=O)=O)CC3)s2)cc1 35597018 DYZHMVCJOOLQMB-UHFFFAOYSA-N 367.496 2.277 0 40 FEAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888879165 ATHDSVIMJUIYGM-IYBDPMFKSA-N 370.478 2.004 0 40 FEAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3nn(C)c4ccccc34)C2)nn1 1888890875 MFFXPMDOYTXFJM-CQSZACIVSA-N 351.410 2.213 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4ccsc34)C[C@H]2C(=O)N1Cc1ccccc1 1888890913 XUYAYYDXUUFVBI-ZIAGYGMSSA-N 364.430 2.313 0 40 FEAB O=C(c1cc(-c2ccccc2)on1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888897879 XSBFDHQVNOFOIG-HOTGVXAUSA-N 361.405 2.340 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 14519523 PYWLQHMECQIFSM-ZBEGNZNMSA-N 351.366 2.044 0 40 FEAB COc1ccc(-c2cc(N=c3ccnc(N4CCOCC4)[nH]3)on2)cc1 1857523561 WRCGBYNVBFVRTN-UHFFFAOYSA-N 353.382 2.142 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 12846771 OBAFYPCEVGIVCZ-UHFFFAOYSA-N 360.414 2.442 0 40 FEAB Cn1ccc(CC(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)n1 1614947983 RMZCSZRYFNANGJ-SFHVURJKSA-N 358.467 2.070 0 40 FEAB CC(C)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccsc1 1565520540 XQCADBMWMYUFIP-UHFFFAOYSA-N 360.435 2.187 0 40 FEAB CCCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1CCOC 5106620 BVINIBHVQLKCDE-UHFFFAOYSA-N 374.466 2.143 0 40 FEAB Cc1cccc(Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c1 9001441 FLYNQLHXFMGANW-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc1 22458904 GYCNRLLRNNBFEY-HNNXBMFYSA-N 373.482 2.150 0 40 FEAB Cc1cnc(OC2CCN(c3nc4ccccc4c(=O)n3C)CC2)nc1 1775972550 KJQJIVHIUYZOPN-UHFFFAOYSA-N 351.410 2.080 0 40 FEAB Cc1cnc(OC2CCN(c3ncc(Br)cn3)CC2)nc1 656214119 OBRZGCJTWDMNFW-UHFFFAOYSA-N 350.220 2.385 0 40 FEAB C[C@@H]1CCc2sc3nc(NCCN4CCOCC4)n4ncnc4c3c2C1 20502453 VYZCACUIXDRLRZ-GFCCVEGCSA-N 372.498 2.208 0 40 FEAB Cc1cc(CN2CCN(CCC(=O)N3CCc4ccccc43)CC2)no1 32870870 XKKLHQUPWZACTR-UHFFFAOYSA-N 354.454 2.080 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3occc3C)CC2)cc1 23041113 PHERLNVVTGKYOV-UHFFFAOYSA-N 362.451 2.433 0 40 FEAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1 780989 KIVGBGKWZJHAIO-UHFFFAOYSA-N 362.440 2.248 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 3184337 DBIJIZDXKXLXDU-UHFFFAOYSA-N 369.406 2.180 0 40 FEAB O=S(=O)(c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)nc1)N1CCOCC1 23654317 DTLARXLPWRXREG-HZPDHXFCSA-N 365.499 2.119 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2ccccc2)n1 23718478 DWVPOUNUOSGVCX-UHFFFAOYSA-N 369.469 2.032 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 24029833 AVFHXBPBYLUNCM-UHFFFAOYSA-N 350.415 2.397 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 12598875 MDDRTXRBBVIKII-STQMWFEESA-N 360.410 2.166 0 40 FEAB Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1 4063308 QHINZRLGOWBIBL-CYBMUJFWSA-N 359.378 2.173 0 40 FEAB biogenic Cn1ccnc1[C@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1F 12541471 OPRBKCKRHVYSEN-MRXNPFEDSA-N 366.462 2.359 0 40 FEAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1Cl 7736008 JBXROAYSOQQSQS-AUWJEWJLSA-N 354.815 2.258 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2Cl)CC1 12534490 JPKBXKPIWKHZRC-GFCCVEGCSA-N 361.881 2.056 0 40 FEAB Cc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccccc3[nH]c2=O)cc1 1421851 QXXISURJDMXSTG-UHFFFAOYSA-N 372.446 2.020 0 40 FEAB O=C1CCCN1CCOc1ccc(CN2CCOCC2)c2cccnc12 59474723 CDOLMMULFYVJLZ-UHFFFAOYSA-N 355.438 2.068 0 40 FEAB O=C(COc1ccc(Br)cc1)OCC(=O)N1CCCCC1 3240643 BHXUXJDSBLERRT-UHFFFAOYSA-N 356.216 2.384 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)C1 57731334 IFZXSPTWBOKJQQ-TXEJJXNPSA-N 373.844 2.202 0 40 FEAB COC(=O)[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1cccnc1 108169788 JSBSUUVKRDHJRP-JCURWCKSSA-N 367.405 2.320 0 40 FEAB COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H](C(=O)O)C1 62117863 MRTBNVZYWBXSHL-DGXRNCNBSA-N 354.200 2.404 0 40 FEAB COc1ccc(CCC(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1 58180638 KFPUQCYXADSITD-UHFFFAOYSA-N 370.453 2.233 0 40 FEAB Cc1nccn1-c1cc(CNC(=O)Cc2cn3ccsc3n2)ccn1 58161508 ONDDNNSDIIQDNS-UHFFFAOYSA-N 352.423 2.144 0 40 FEAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCCCc1ccccc1 58167460 YVDQZWALIXLLQE-UHFFFAOYSA-N 362.433 2.432 0 40 FEAB O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1cccs1 102468349 WBYPXLYZASERMC-UHFFFAOYSA-N 367.390 2.310 0 40 FEAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1ccc(F)cc1 10297466 WUKXNEXFDYSZIC-CQSZACIVSA-N 351.301 2.263 0 40 FEAB Cc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N(C)C)cc1 58203536 XQSRAXYAKSTXRE-LJQANCHMSA-N 357.498 2.363 0 40 FEAB CN(Cc1cccnc1)C(=O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1 58217933 WVSPEAFVCGPENS-UHFFFAOYSA-N 371.824 2.286 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1 12751501 KSYBXYFNAMEVHW-UHFFFAOYSA-N 364.471 2.220 0 40 FEAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2N2CCCN12 100937646 QXTBICUHPJMWFJ-FHWLQOOXSA-N 363.417 2.231 0 40 FEAB CC(C)Cc1nc2oc3c(N(CCO)CCO)ncnc3c2c2c1CCC2 2215172 NLVMWHRKVJKJLP-UHFFFAOYSA-N 370.453 2.249 0 40 FEAB CCCNC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11241079 MMHAHIPCXCCTKQ-GFCCVEGCSA-N 358.417 2.145 0 40 FEAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)cc1 2619870 WRINGRGQSNIFJF-IBGZPJMESA-N 361.442 2.058 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3459284 ANQPBVDAZBTRMM-VBKZILBWSA-N 357.454 2.440 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O)n2CC 3886652 ZFXCTCCKWQDCIC-UHFFFAOYSA-N 353.444 2.104 0 40 FEAB O=C(CNc1ccc(Br)cc1)NC(=O)NCc1ccco1 5090115 NWIICXGYFHVFNE-UHFFFAOYSA-N 352.188 2.480 0 40 FEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCc1ccncc1 5205460 HBXRACKSGHVZEI-UHFFFAOYSA-N 350.374 2.372 0 40 FEAB Cn1nc(C(C)(C)C)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 14183268 MMGZUKAPDJZPQD-CHWSQXEVSA-N 360.458 2.221 0 40 FEAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14235883 JSGLZQDRZXPXHZ-HNNXBMFYSA-N 359.422 2.338 0 40 FEAB C[C@@H]1OCC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br 95449009 FROLOMDGRUOZIC-ZANVPECISA-N 373.222 2.002 0 40 FEAB C[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 6670137 GINKILKVQXJDMA-GFCCVEGCSA-N 367.357 2.090 0 40 FEAB CC1CCN(C(=S)c2ccc(OCC(=O)N3CCOCC3)cc2)CC1 4705210 MOYNHHYOUKATAW-UHFFFAOYSA-N 362.495 2.332 0 40 FEAB CCN1C(=O)C2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N(CC)C1=S 5689820 JFHMLMUMELKBLC-OAHLLOKOSA-N 357.479 2.193 0 40 FEAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1N 4949260 AXYSGPLKGFPYAG-UHFFFAOYSA-N 370.434 2.158 0 40 FEAB CC1CCC(N(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 7240412 IWYHGADFGLSWSH-UHFFFAOYSA-N 363.483 2.152 0 40 FEAB O=C(CNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccco1 7951873 JHUOSZQXUNQZLJ-UHFFFAOYSA-N 357.193 2.398 0 40 FEAB CCCn1c2c(c(O)c(C(=O)NCCCN(CC)CC)c1=O)CCCC2 19929022 FIKGANRWQNKLDW-UHFFFAOYSA-N 363.502 2.304 0 40 FEAB CCOc1ncccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 18217511 YORUAXMVYLXNGQ-UHFFFAOYSA-N 355.438 2.243 0 40 FEAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 8726991 KURYDKSHFOPIOT-IRXDYDNUSA-N 361.486 2.166 0 40 FEAB CC(C)NC(=O)CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 8879780 MCPPDPJUTKTTCH-INIZCTEOSA-N 356.426 2.140 0 40 FEAB biogenic Cc1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)[nH]n1 8970177 SZTRRQVFDFFXJL-UHFFFAOYSA-N 363.834 2.075 0 40 FEAB COc1ccc(-c2cc(C(=O)NC(C)(CO)CO)c3ccccc3n2)cc1 8991144 PPFGVFWSNWRXIT-UHFFFAOYSA-N 366.417 2.384 0 40 FEAB O=C(NC[C@H]1CCCO1)Nc1cc(-c2cccc(Cl)c2)nn1CCO 72057878 HEAKTFGGGIKGQO-CQSZACIVSA-N 364.833 2.496 0 40 FEAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@H]1C2 408549369 YIYZWFWNEVEOQG-XYJFISCASA-N 356.466 2.410 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 62147268 AJVUBVSCQFUOTD-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB CSCC[C@H]1NC(=S)N(Cc2ccnc(N3CCCC3)c2)C1=O 32778518 WIXZYLFXIMXUIQ-CYBMUJFWSA-N 350.513 2.020 0 40 FEAB Cc1cc2c(o1)c1cnn([C@@H](C)C(=O)NCc3ccncc3)c(=O)c1n2C 72335341 GWUPLIOGJIQBSK-LBPRGKRZSA-N 365.393 2.062 0 40 FEAB CC(=O)N1CC[C@]1(CCCc1cccc(Br)n1)C(=O)N(C)C 72350894 KZNCELJLXDIKNQ-MRXNPFEDSA-N 368.275 2.246 0 40 FEAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218457067 DULAXBPYVIQRRT-BJLQDIEVSA-N 373.474 2.449 0 40 FEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 78876980 DUWSZXODIHFZMO-CYZMBNFOSA-N 371.264 2.460 0 40 FEAB CC(C)c1noc(CCC(=O)N2CCN([C@@H](C)c3nccs3)CC2)n1 185751636 FBUCYIWYPFEDPB-ZDUSSCGKSA-N 363.487 2.488 0 40 FEAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCCc3ccccc3)cc2o1 80633227 ITYPXHOHFDWZGR-UHFFFAOYSA-N 352.799 2.296 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCC1 225672649 GJPAJSHNXSLICJ-ZDUSSCGKSA-N 354.472 2.299 0 40 FEAB Cc1ccc(CN(CC(=O)NCCCc2ccco2)S(C)(=O)=O)cc1 223258281 RFDWFJVYXYQPFW-UHFFFAOYSA-N 364.467 2.099 0 40 FEAB Cc1cc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2C)n(C)n1 227158693 SUJOUVYJJSFADM-OAHLLOKOSA-N 353.426 2.306 0 40 FEAB NC(=O)c1cc([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2)n[nH]1 225555128 HEXBEYJXHZSNGW-OAHLLOKOSA-N 362.430 2.494 0 40 FEAB Cc1cc(CNC(=O)Cc2ccc(Cl)cc2)nc(N2CCOCC2)n1 224226845 ZXZINWVSBLKYNS-UHFFFAOYSA-N 360.845 2.134 0 40 FEAB O=C(Nc1cccc(F)c1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147322 FDVRAJKAKIBXRL-UHFFFAOYSA-N 372.381 2.056 0 40 FEAB CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1cnccn1)CC2 96199438 BQYXSSJGPMNZFH-MRXNPFEDSA-N 350.422 2.097 0 40 FEAB CN1CCN(C(=O)c2ccc3nn[nH]c3n2)C[C@@H]1c1ccccc1Cl 585140116 MSPZZTMDBHXPTJ-OAHLLOKOSA-N 356.817 2.135 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)CN)cc1 252515712 MXIPGHGGBRUCGT-BRWVUGGUSA-N 350.871 2.244 0 40 FEAB CCc1noc(C)c1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257304613 SMJNNDMJYPETDN-UHFFFAOYSA-N 355.442 2.467 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)n1 257229841 FZRGFKJOOJGXFE-KRWDZBQOSA-N 355.442 2.472 0 40 FEAB Cc1cc2nccc(C3CCN(C(=O)COc4cccnc4)CC3)n2n1 257227777 FQVPYYWWJGVPPB-UHFFFAOYSA-N 351.410 2.218 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cc[nH]n2)c2ccccn2)CC1 257239040 HNQYKAKMJGOINT-IIDMSEBBSA-N 355.442 2.218 0 40 FEAB CN([C@H](C(=O)NCCSC1CCCC1)c1ccccc1)S(C)(=O)=O 260841297 MGGLMZWKOPBPRL-INIZCTEOSA-N 370.540 2.411 0 40 FEAB C[C@]1(CNC(=O)c2ccc(OCC(=O)O)cc2)OCCc2sccc21 621539497 PLSKXHIEOHVJTQ-GOSISDBHSA-N 361.419 2.429 0 40 FEAB C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2n1C 605553512 RESHYDPDQMYLAE-SNVBAGLBSA-N 353.407 2.134 0 40 FEAB O=c1c2cccn2cnn1CCCN1CCN(c2cccc(Cl)c2)CC1 95370161 OBHHXERWBPWFSM-UHFFFAOYSA-N 371.872 2.362 0 40 FEAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cn([C@@H]2CCCNC2)nn1 646280019 PMBODHKMGDMMKX-MVIFTORASA-N 371.426 2.070 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nn2cnc3ccccc32)c1 27041269 CJSVHTBYNUPWDU-UHFFFAOYSA-N 351.366 2.337 0 40 FEAB CN(C(=O)[C@@H]1CCCO1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1776008107 YXPKDEGEQVMWPL-HNNXBMFYSA-N 356.401 2.109 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)C1CCN(C(=O)NCc2ccco2)CC1 40088507 MRHVEFRCBYSKOL-UHFFFAOYSA-N 359.430 2.190 0 40 FEAB O=C(NCCCN1CCc2ccccc21)N1CCN(c2nccs2)CC1 40069098 YCFMKQQEDAEUSF-UHFFFAOYSA-N 371.510 2.428 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 15245347 RNLQTKTZAVXACV-UHFFFAOYSA-N 374.418 2.183 0 40 FEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccncc3)n2)cc1 15674702 NYDARBBLFOSPRM-WBVHZDCISA-N 352.394 2.448 0 40 FEAB biogenic,in-vitro CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)C1 19016688 YZXSCYZBLHLDKD-INIZCTEOSA-N 350.422 2.011 0 40 FEAB CC(C)(C)n1cc2c(n1)[C@H]1CN(C(=O)CCCn3cncn3)C[C@H]1CC2 19084867 XLMAILXSRLROBD-ZBFHGGJFSA-N 356.474 2.198 0 40 FEAB C[C@H](CC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)n1ccnc1 19455271 UFXHMFGXZVQPKL-FOIQADDNSA-N 368.437 2.018 0 40 FEAB CCc1nc(NC(=O)CN2CCN(c3nccs3)CC2)sc1C 19521805 ISXVNPTZPOWRNI-UHFFFAOYSA-N 351.501 2.231 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3CCCC[C@@H]3C)c(=O)n12 19523249 VELODNRTGUWBTP-ZDUSSCGKSA-N 353.426 2.008 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3cccc(C)c3)n2CC1 19710734 RBULTADAANYTHO-SFHVURJKSA-N 353.470 2.328 0 40 FEAB O=C(N[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1)c1cnccn1 19749200 PAGJQOLTWIZZFL-CQSZACIVSA-N 350.426 2.137 0 40 FEAB COCC(=O)N1CCC[C@@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 19765250 YEDMRCPZKPJPMU-OAHLLOKOSA-N 368.437 2.390 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 8734519 CQMCGIYQHXSTHS-KRWDZBQOSA-N 360.435 2.316 0 40 FEAB Cc1nc(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cs1 21244762 DECBQAKCACQOPO-JTQLQIEISA-N 362.407 2.336 0 40 FEAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)C3CC(F)(F)C3)C1)CC2 1565554932 LEDQNRYROXMLLL-QGZVFWFLSA-N 351.397 2.152 0 40 FEAB C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10233779 UCHAXOOTHYWJFB-AATRIKPKSA-N 365.437 2.241 0 40 FEAB COC(=O)c1ccc(Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)o1 12228044 ZIKRPSMRPWTCHZ-UHFFFAOYSA-N 364.361 2.319 0 40 FEAB COc1cc(C(=O)N2CCC[C@@]3(COCCN(c4ccccc4)C3)C2)on1 2055815393 GDXYMEHFQMAOOD-FQEVSTJZSA-N 371.437 2.442 0 40 FEAB CSc1ncc(Br)c(N2CCC(C(=O)NC3CC3)CC2)n1 2086875497 LSUWWDYUTWYQMB-UHFFFAOYSA-N 371.304 2.456 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 108701775 KFTSHBPELVAEMA-GJZGRUSLSA-N 368.389 2.096 0 40 FEAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1C(F)(F)F 575617329 VPCHIBBYKLDZDC-LBPRGKRZSA-N 362.377 2.300 0 40 FEAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)NCCC2=CCCCC2)cc1 75155581 MDBZHKUGKHHEOT-NRFANRHFSA-N 374.481 2.112 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 7053649 LTYFMNXMFYEYSN-UHFFFAOYSA-N 368.480 2.432 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 7052275 YYGQCFRBGJXGDB-UHFFFAOYSA-N 368.480 2.432 0 40 FEAB O=C(NC1CCN(c2ncccn2)CC1)c1cccnc1N1CCCCC1 40134386 ONLXIBFPHOOWKG-UHFFFAOYSA-N 366.469 2.261 0 40 FEAB c1ccc(Cn2cc(CNCc3ccnc(N4CCOCC4)c3)cn2)cc1 30900487 JOCFWNBNJRVZQM-UHFFFAOYSA-N 363.465 2.453 0 40 FEAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3208392 ZNKXOTSPFNZLAG-UHFFFAOYSA-N 361.467 2.169 0 40 FEAB Cc1cc(=O)n2nc(NCCc3cnn(-c4ccccc4)c3)sc2n1 48278815 IVOTVBWYRDSUTP-UHFFFAOYSA-N 352.423 2.300 0 40 FEAB CCOC(=O)CCC(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1 9689813 FFNGBCZCLMSHPX-UHFFFAOYSA-N 365.382 2.322 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)ccc1OC 22516539 ASDLDEFKRRPJRO-KRWDZBQOSA-N 374.462 2.411 0 40 FEAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)c1 20153509 DYOXOJYWGHYNSG-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB Cc1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1C 2253050 NJDGFTDZPZNAAL-SXGWCWSVSA-N 355.488 2.472 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 103029685 GBQXAAOANBJVOQ-BHWMQLMCSA-N 367.430 2.350 0 40 FEAB CCCCNC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 29927181 IMBOQKWYCMIZTI-UHFFFAOYSA-N 362.499 2.193 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1nnc2ccccn12 61225998 VLAXJQLAGLOZQU-UHFFFAOYSA-N 374.448 2.433 0 40 FEAB Cc1ccc(CN(C(=O)CN2CCOC[C@H]2c2c(C)n[nH]c2C)C2CC2)o1 95452027 RFEKECIYYIRYDP-SFHVURJKSA-N 372.469 2.492 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1F 12908824 QHGYNJGLNFZINE-UHFFFAOYSA-N 371.368 2.310 0 40 FEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C)C1 13000070 RDWJNBWHBAQPDL-XJKSGUPXSA-N 363.483 2.008 0 40 FEAB CC[C@H](C)N1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4073710 HGBSRNPBYMTEGJ-YUNKPMOVSA-N 355.438 2.417 0 40 FEAB biogenic CN(Cc1ccccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005305 CIIAMGAXYQWTTD-QGZVFWFLSA-N 365.499 2.024 0 40 FEAB CN(Cc1ccc(OCC(=O)NC2CCCCCC2)cc1)S(C)(=O)=O 408705755 MVUGCZSHLONEMU-UHFFFAOYSA-N 368.499 2.296 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(C)C 6206020 NECDJFWTXAEQNU-UHFFFAOYSA-N 353.488 2.106 0 40 FEAB C[C@@H]1CN(Cc2nnc(-c3cccs3)o2)CCN1C1CCN(C)CC1 95456057 YJKPMKMWIVSZFD-CQSZACIVSA-N 361.515 2.398 0 40 FEAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccccc1 9426325 TVTCMFZUCZYEEK-UHFFFAOYSA-N 351.410 2.135 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 7003494 GPJJPRMDGUDLRO-LBPRGKRZSA-N 361.847 2.061 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)cc1OC 16227550 YSFHLMNRYQBXNJ-UHFFFAOYSA-N 369.370 2.123 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCC1 8560326 TXWJWNHVEVSBRF-UHFFFAOYSA-N 366.483 2.496 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cnccn2)c1 18092629 HSPSJYFTAQWYDH-UHFFFAOYSA-N 362.455 2.376 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H](C(=O)O)C3)cc2oc1=O 8764449 BSLFBXWCUALIAR-CYBMUJFWSA-N 359.378 2.112 0 40 FEAB biogenic Cc1cc(=O)c(C(=O)NC[C@H]2CCO[C@@H](C)C2)nn1-c1ccccc1F 95457827 JSIZRIFUMOUNFG-KBPBESRZSA-N 359.401 2.225 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cc2ccccc2[nH]1 95957079 BTWVAHSKKMOEOU-IYBDPMFKSA-N 353.422 2.349 0 40 FEAB Cc1cccc(CN2CCN(CCn3c(=O)oc4cccnc43)CC2)c1 89424006 CXVGVKJCCIJRDX-UHFFFAOYSA-N 352.438 2.116 0 40 FEAB COC1CCN(CCNC(=O)c2cc(F)ccc2Br)CC1 75106157 BLUIGRSPHTYCNY-UHFFFAOYSA-N 359.239 2.429 0 40 FEAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 409057500 PJOVPFWVSQVINQ-KHSSZTOVSA-N 361.781 2.350 0 40 FEAB Cc1ncsc1CN1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306144137 YXBWSYIMJMGGFO-AWEZNQCLSA-N 355.471 2.182 0 40 FEAB Cc1cc(C(F)(F)F)nc(NC[C@H]2CS(=O)(=O)c3ccccc3O2)n1 514725564 OIKWFEDBSMEJGS-JTQLQIEISA-N 373.356 2.451 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 35876476 RVQBBAGREXBPOQ-AUUYWEPGSA-N 351.450 2.407 0 40 FEAB CN(C[C@@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2)C1)S(C)(=O)=O 567522323 MGGPPQGZZAYWAS-SWLSCSKDSA-N 374.890 2.069 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 71768168 ZODGRWBLYWIKIT-UHFFFAOYSA-N 367.852 2.425 0 40 FEAB CC(C)c1ccc([C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)C)cc1 47207882 NHQDFSMPZNACDU-LJQANCHMSA-N 366.527 2.354 0 40 FEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(F)ccc2OC)c1 223694846 SHWWSIUTQJUMKW-UHFFFAOYSA-N 369.370 2.430 0 40 FEAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCOC(C)C)ccc21 225691033 BIWBCZVELSYSNI-UHFFFAOYSA-N 358.485 2.176 0 40 FEAB COc1ccc(-n2nc(C(=O)C(C)(C)C)cc(C(=O)O)c2=O)cc1OC 225968560 WKLLAXUXWXSTJU-UHFFFAOYSA-N 360.366 2.177 0 40 FEAB COC[C@H]1CN(C(=O)c2ccoc2)Cc2cnn(CC3CCOCC3)c21 96198452 NWDDVMPPKJBXCM-QGZVFWFLSA-N 359.426 2.289 0 40 FEAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)COc1ccccc1)C2 96219909 HFFHJXBKEHADHP-WIYYLYMNSA-N 358.482 2.272 0 40 FEAB CCc1cc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)nc(C)n1 579705901 PATQWRSFCGSUPM-YWZLYKJASA-N 351.454 2.907 0 40 FEAB COC[C@@H]1CCCCN(C(=O)c2cnc3cnc(Br)cn23)C1 583650873 IRCOVCLTNWJCGT-LLVKDONJSA-N 367.247 2.381 0 40 FEAB Cc1nc(CN2CCOC[C@@]3(C2)CN(Cc2ccco2)CCO3)cs1 96049803 YVWPNLVJLLFZGK-GOSISDBHSA-N 363.483 2.148 0 40 FEAB CNC(=O)c1sc2nc([C@@H]3CCCN3C3CCN(C)CC3)ccc2c1N 257294559 QURUKGAQRKBZRK-HNNXBMFYSA-N 373.526 2.469 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)ncn1 257312192 UMUMBMPCFCADJR-CQSZACIVSA-N 366.425 2.187 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)n1 257205513 AZLMYPNFKHJGAE-HNNXBMFYSA-N 356.426 2.171 0 40 FEAB CCc1nnsc1C(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257275998 NRXXYMRPSBYQGR-LBPRGKRZSA-N 358.427 2.216 0 40 FEAB O=C(O)c1ccc(=O)n(C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 257228802 FVIDUENFUQQZBZ-INIZCTEOSA-N 362.813 2.273 0 40 FEAB Cc1ccc(C2(NC(=O)c3cc(N4CCNC(=O)C4)ccn3)CCC2)cc1 648660211 YGRKWNXYXHUFDZ-UHFFFAOYSA-N 364.449 2.135 0 40 FEAB CC(=O)Nc1ccccc1CC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 683452230 JJGCEFQADFVFHE-OAQYLSRUSA-N 363.417 2.310 0 40 FEAB C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685943574 XEASIQZCJAQDSY-MGPUTAFESA-N 352.438 2.192 0 40 FEAB O=C(c1ccc(OC(F)F)cc1)N1CCC(CN2CCOCC2)CC1 40118556 FRONRTGDJFKAQI-UHFFFAOYSA-N 354.397 2.472 0 40 FEAB CN(C)[C@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 95408056 QECIBAMOIHSKIB-CABCVRRESA-N 367.440 2.464 0 40 FEAB CCOC(=O)[C@@]12CCCC1=NN=C2C1=NN=C2CCC[C@]21C(=O)OCC 5567304 VXLVKVZHYLVHQC-ROUUACIJSA-N 358.398 2.074 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC1CCCCC1 11356277 QVFUYDDJDAGDOM-UHFFFAOYSA-N 354.472 2.112 0 40 FEAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)Cc2ccsc2)CC1 12222719 CQFGNQZMJIXNFK-UHFFFAOYSA-N 364.492 2.495 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)c(OC)c1 12337204 UAGLTLGALBEWIW-UHFFFAOYSA-N 357.410 2.172 0 40 FEAB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 17851286 ASOXRKCYXYKCPU-NSHDSACASA-N 352.843 2.407 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCC[C@@H](CO)C2)C1 19016970 YMXXAECNNWJCNA-SJORKVTESA-N 370.497 2.493 0 40 FEAB C[C@H](Cc1ccccn1)NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 19457000 IJXIDQSZAXJZTQ-UALYNUFXSA-N 366.469 2.111 0 40 FEAB C[C@@H](c1cc(=O)[nH]c(N2CCCCCC2)n1)n1ncc2ccccc2c1=O 19717684 SLDRUSSELIAQDO-AWEZNQCLSA-N 365.437 2.470 0 40 FEAB CN(CC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)C(=O)c1ccnc(O)c1 643586254 PDYCNXCZCRIUOG-LSBZLQRGSA-N 356.422 2.468 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3)ncc2C1 19018545 XCPLOXYAGNQZBY-IBGZPJMESA-N 364.449 2.287 0 40 FEAB CCOC(=O)NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 3489090 YLVZDSDUHUHXTE-UHFFFAOYSA-N 355.346 2.347 0 40 FEAB O=C([C@H]1CCOC1)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888864420 MPMFOUJIDNALPW-RDJZCZTQSA-N 353.422 2.407 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cc3c(nn2)CCCC3)CC1 1888875727 SSSDLVKDJXGEBB-UHFFFAOYSA-N 352.438 2.326 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cncn2C)C1 2037845947 IGWQBVFLCKTXDT-LBPRGKRZSA-N 370.482 2.116 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1083905468 XBVZJENHGDCBDH-HUUCEWRRSA-N 365.437 2.354 0 40 FEAB NC(=O)c1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374382 FVOLHKKORMURSP-LBPRGKRZSA-N 372.812 2.366 0 40 FEAB NC(=O)c1nc(-c2ccc(F)cc2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518710 NYFHMPRBULEGLV-UHFFFAOYSA-N 367.315 2.153 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cccn2C)C1 2055751299 GQRMXHKRPQMAIC-HXUWFJFHSA-N 354.454 2.200 0 40 FEAB O=C(CCSc1ccccc1)N[C@H]1CCN(c2nccn3cnnc23)C1 575615987 ILVUTQRIZAHJQD-AWEZNQCLSA-N 368.466 2.002 0 40 FEAB O=C(CCc1ccccc1)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19370952 WWTPWAASYGQPEG-QGZVFWFLSA-N 363.465 2.257 0 40 FEAB CC(=O)OC[C@](C)(C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 2274393 PTPWFSVPFBGKGL-GOSISDBHSA-N 361.419 2.421 0 40 FEAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 40094286 PVEBGHYQSQGICJ-ZDUSSCGKSA-N 364.398 2.064 0 40 FEAB CC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCOCC2)nc1)c1cccs1 21590005 UJJANLHRMRPEQQ-HNNXBMFYSA-N 374.466 2.186 0 40 FEAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1 32907243 ADJNMEDPYHDVRX-HNNXBMFYSA-N 365.311 2.319 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 627898 OKJMYJBJHZLQDP-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB CCOc1ccc2nc(NC(=O)CSc3nnnn3CC)sc2c1 9048495 ODKBLIZJFTVPLH-UHFFFAOYSA-N 364.456 2.432 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1 3232867 NCGCIJCIWYOAGH-UHFFFAOYSA-N 364.304 2.182 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1 6057342 CIKXXVNALBFXHH-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cn2)n1 24786872 PQRONKMTFOYCMR-UHFFFAOYSA-N 374.404 2.302 0 40 FEAB O=C(NCCCOCCc1ccccc1)[C@H]1CCCN(c2cnccn2)C1 54594421 BRTZDKHRRYGYOU-IBGZPJMESA-N 368.481 2.459 0 40 FEAB Cc1nc2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O 12545469 GPYVDADTFOLGEH-UHFFFAOYSA-N 362.433 2.054 0 40 FEAB CC(=O)NCc1ccc(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)cc1 12569427 KTDOLQURVTWYOI-UHFFFAOYSA-N 365.389 2.225 0 40 FEAB NC(=O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 12525819 KWDSPZNAGAQLCH-UHFFFAOYSA-N 358.778 2.144 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(CCn3c(C)ccc3C)CC2)cc1 25140157 JRMJLEZJNBLHMW-UHFFFAOYSA-N 361.511 2.420 0 40 FEAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 58171954 CIJFPZXOPBTORY-UHFFFAOYSA-N 368.402 2.198 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CCCc2ccccc21 44364220 NXTJZRYMBDDHNS-OAHLLOKOSA-N 360.435 2.401 0 40 FEAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1 9926894 SRDFDFWRNKJKFX-GJZGRUSLSA-N 364.467 2.302 0 40 FEAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CC1 10083083 MUHLWSBMVXIGRI-GFCCVEGCSA-N 371.890 2.154 0 40 FEAB CC1CCN([C@H](C)CNC(=O)CCn2cnc3ccccc3c2=O)CC1 58245812 GQRXYIXHARGGDK-MRXNPFEDSA-N 356.470 2.023 0 40 FEAB NC(=O)[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 27771412 YGSNEDDWVYQGCX-DLBZAZTESA-N 368.389 2.188 0 40 FEAB CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10360334 FIGCPUFNGPPMTJ-UHFFFAOYSA-N 367.515 2.268 0 40 FEAB O=C(c1ccoc1)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 24440401 XGQODQSKRLWFSP-UHFFFAOYSA-N 366.414 2.143 0 40 FEAB CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cn1 48362862 UHZBXUCKWNGWSN-AWEZNQCLSA-N 372.856 2.470 0 40 FEAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NCC(=O)OCc1ccccc1 29554652 FSGIEGVHBLIBKW-DBTPVHCXSA-N 366.417 2.064 0 40 FEAB CCOC(=O)CCCNC(=O)CSc1nnc(C(C)C)n1C1CC1 12944161 FTCKGRZOTTVSEL-UHFFFAOYSA-N 354.476 2.288 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 38833501 OSLAHQFTKUQZNE-MRXNPFEDSA-N 360.435 2.469 0 40 FEAB CCC(=O)N1C(=S)NC(C)=C(C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 4100930 MOKCMKIEINIZMH-OAHLLOKOSA-N 362.407 2.030 0 40 FEAB COc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)cc1Cl 13684666 RUKNHNLDCQJVCL-UHFFFAOYSA-N 361.789 2.372 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O 4514051 LDEBQQRVCGORJR-ORAYPTAESA-N 361.417 2.384 0 40 FEAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)C[C@H](C)O1 14202438 XAMXRKONEHGVPC-QWRGUYRKSA-N 367.298 2.480 0 40 FEAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 14249518 YGMCDKXZADHTCI-OAQYLSRUSA-N 365.433 2.469 0 40 FEAB Cc1sc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCOCC1 4614412 GUIMKDNTFAWJDH-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB O=C(CCc1ccco1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6800773 CUSGFXWGBALLAR-UHFFFAOYSA-N 372.406 2.442 0 40 FEAB CCN(CC)CCCNC(=O)c1sccc1NC(=O)c1cnccn1 67335664 IUPCLIYYIVLLLL-UHFFFAOYSA-N 361.471 2.252 0 40 FEAB COC(=O)[C@@](NC(C)=O)(Nc1nc2c(s1)CCCC2)C(F)(F)F 17029046 ZOXYLXQHVJITPM-GFCCVEGCSA-N 351.350 2.002 0 40 FEAB O=C1O[C@@H](C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)Cc2ccccc21 69528618 JFXFOJWIFYJZSP-QGZVFWFLSA-N 361.357 2.157 0 40 FEAB C[C@H](NC(=O)CCn1ccnc1)c1cc(F)ccc1N1CCN(C)CC1 69583014 HUJTVJKGUDJTEE-HNNXBMFYSA-N 359.449 2.042 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(Cl)cc1)n2CCOC 8710105 USIAXSRBBQFBRV-UHFFFAOYSA-N 362.817 2.263 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)c1cc(OC)c(Br)c(OC)c1 8884233 GFMQXQRUBMKPOI-VIFPVBQESA-N 373.247 2.111 0 40 FEAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccoc1 8987293 JXYIPPJIOONQQX-UHFFFAOYSA-N 350.396 2.412 0 40 FEAB CNC(=O)Cn1cc(N[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)cn1 546534835 GMIPIAPTZSNRAN-CQSZACIVSA-N 371.224 2.262 0 40 FEAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)s1 548537281 QAERERXTIKCEBK-WDEREUQCSA-N 361.485 2.204 0 40 FEAB CC1CCC(N2CCN(C(=O)Cn3c(O)nc4ccccc43)CC2)CC1 523721250 TUEKVOWPMOBBDL-UHFFFAOYSA-N 356.470 2.465 0 40 FEAB C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccn1 61984089 KIZQODFAIUMMRV-CYBMUJFWSA-N 354.435 2.319 0 40 FEAB O=S(=O)(CC1CC(F)(F)C1)c1n[nH]c(-c2ccc3c(c2)OCCO3)n1 562776467 FVVAHXTXHJKCSK-UHFFFAOYSA-N 371.365 2.062 0 40 FEAB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224637264 DHWHASTZVZJENC-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB O=C(O)c1cnc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cn1 569003341 MCIFKRRZUIELAJ-UHFFFAOYSA-N 365.393 2.146 0 40 FEAB CC(C)c1ccccc1S(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 571633912 FUCFKKDWTWWDLP-HNNXBMFYSA-N 355.456 2.216 0 40 FEAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2)n[nH]1 225555159 HEXBEYJXHZSNGW-HNNXBMFYSA-N 362.430 2.494 0 40 FEAB Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)N1CCOCC1 49002346 IWWNJJWSRKLEGG-UHFFFAOYSA-N 369.450 2.480 0 40 FEAB CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 44949483 VGBIXDOZROJYKO-HNNXBMFYSA-N 358.419 2.099 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108578 ZFDGZQSOKNIIEA-XUVXKRRUSA-N 351.450 2.443 0 40 FEAB O=C(N[C@@H]1COC2(CCN(Cc3ccccn3)CC2)C1)c1ccccn1 96221080 PIPZGOWKNWNVEQ-KRWDZBQOSA-N 352.438 2.030 0 40 FEAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cnccn1 98212901 PKSAHOYWAXKBSK-UHFFFAOYSA-N 366.400 2.405 0 40 FEAB CN1C[C@H]2C3(CCN(Cc4nccs4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96062582 FCJQSTUBKGFAJU-HNAYVOBHSA-N 362.543 2.155 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344884 JKRBBPKLSQQEJN-LLVKDONJSA-N 364.361 2.283 0 40 FEAB COc1cc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cc(OC)c1 247874376 GFEALVKJPUDSGE-INIZCTEOSA-N 371.437 2.306 0 40 FEAB COc1ccc2c(c1)CN(C(=O)N[C@H]1CCc3nnc(C(C)C)n3C1)C2 654522948 PYCGHFXAFWSGLG-HNNXBMFYSA-N 355.442 2.450 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](c1cccnc1)c1ncc[nH]1 658272540 PRQFXULAPSFMCW-RYQLBKOJSA-N 352.442 2.385 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)c2cn(C)c3ccccc23)ccc1O 673129634 VFOGWGZMLZUBGN-UHFFFAOYSA-N 359.407 2.044 0 40 FEAB COCC(=O)N1CCN(C(=O)[C@@H](C)C2CCCC2)CCC12CCOCC2 1775962833 MJPNTMPXZSATHQ-INIZCTEOSA-N 366.502 2.069 0 40 FEAB CCn1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)cn1 74974802 SQVDIBOENZHQDB-CYBMUJFWSA-N 357.439 2.400 0 40 FEAB COc1ccc(NC(=O)CNc2cc(-n3cnnn3)ccc2C)c(OC)c1 55856222 KVFJJUSVFJOBAJ-UHFFFAOYSA-N 368.397 2.039 0 40 FEAB Cc1c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cnn1C 12086110 NTWVGHJEIHBXEM-UHFFFAOYSA-N 350.470 2.209 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 12180967 YRZSGKKPOBJZAB-QCUYGVNKSA-N 366.527 2.409 0 40 FEAB COc1cccc(NC(=O)NCC(=O)Nc2cc(OC)ccc2OC)c1 12930379 MWGWJEQDFIYSIK-UHFFFAOYSA-N 359.382 2.473 0 40 FEAB Cc1ccn(C[C@H](C)C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1 19237904 VCMLHDDDQORFBA-ZFWWWQNUSA-N 365.437 2.080 0 40 FEAB O=C(NCc1cc(=O)[nH]c(-c2cccnc2)n1)c1cccc2ncccc12 19293248 RWNGIOHQOLPUOL-UHFFFAOYSA-N 357.373 2.310 0 40 FEAB C[C@@H]1CN(C(=O)Cn2c([C@@H]3CCCNC3)cc3cccnc32)C[C@@H](C)O1 19497263 UMFXJWAIKOWEPY-BFYDXBDKSA-N 356.470 2.139 0 40 FEAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)Cn3cccn3)CC2)c1 19749914 DWYMBNWYJALINQ-KRWDZBQOSA-N 370.453 2.045 0 40 FEAB COc1ccc(-c2nnc3n(C)c(=O)c4cc(OC)c(OC)cc4n23)cc1 19894271 PKLFSLKJPPGLDS-UHFFFAOYSA-N 366.377 2.274 0 40 FEAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1cccnc1 19937589 XRCIGJOYKBNQIS-UHFFFAOYSA-N 354.797 2.344 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 169296135 KHWMYTSEJQOBMD-KURKYZTESA-N 356.466 2.430 0 40 FEAB COCC(=O)N1CC[C@H](c2cc(-c3ccc(C)cc3)nc(N(C)C)n2)C1 12235838 JCMMUWMYCHSFHK-INIZCTEOSA-N 354.454 2.480 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 5938934 RWGSDGKLIBWIDV-UHFFFAOYSA-N 366.414 2.484 0 40 FEAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1noc2c1CCCC2 1888890176 PWHOTJNEXJQENN-INIZCTEOSA-N 352.394 2.203 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(CC)C2=O)c(OC)c1 24090999 FTQXKYGAHFROJM-PIVMMCRMSA-N 362.426 2.189 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909153 YWXWHEIOJUYEIT-LJQANCHMSA-N 361.417 2.304 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)CC3CCOCC3)C2)C1 2056224765 UXENFJUJCZXRCY-NRFANRHFSA-N 374.529 2.441 0 40 FEAB COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2)n1N 3368373 COLOMSYUWBIILT-UHFFFAOYSA-N 369.450 2.076 0 40 FEAB CC(C)NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908665 OEBZYYYLSKLJMW-UHFFFAOYSA-N 355.438 2.361 0 40 FEAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC(C)C)C(=O)[C@H]13)O2 4698172 RFMPETSDZRKPCC-NHAYFPRASA-N 365.470 2.317 0 40 FEAB O=C(NCc1ccco1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 6918903 GHEZJPUOYZJBDB-UHFFFAOYSA-N 360.373 2.363 0 40 FEAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1ccc(Cl)cc1 10594643 XLSCXFRRFBITIF-UHFFFAOYSA-N 355.851 2.310 0 40 FEAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3ccc(F)c(F)c3)[C@@H]2C1 2055713680 XSPRQGLERNSZFR-BMGDILEWSA-N 350.409 2.470 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cccnc2)CC1 2055734922 ZNHIHQCPCBWZLP-UHFFFAOYSA-N 356.401 2.054 0 40 FEAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cn2)cc1C 35483522 DQLAWROUONBHOV-UHFFFAOYSA-N 360.435 2.004 0 40 FEAB CCn1ccnc1N1CCN(C(=O)c2ccc(Br)o2)CC1 13693715 GVLHKQXRHAGZOH-UHFFFAOYSA-N 353.220 2.221 0 40 FEAB O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc2c(c1)OCCO2 21122830 QEYNMJYHNFQAQJ-UHFFFAOYSA-N 352.350 2.474 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)c1c[nH]nc1-c1ccc(F)cc1 40108929 CCRHCPVUIUUYKU-UHFFFAOYSA-N 363.356 2.122 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1 40161475 VYPHSRDKMCSXLS-UHFFFAOYSA-N 358.482 2.353 0 40 FEAB C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@@H](C)O1 20411636 AGRFRTKLCPEWTJ-XHJFGODYSA-N 363.498 2.381 0 40 FEAB biogenic CN(C(=O)CCCc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 31611454 QERJMURKGABBAQ-LBPRGKRZSA-N 352.481 2.265 0 40 FEAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccc(C)s3)CC2)on1 51098510 ZIHXAZLQAAGMPF-UHFFFAOYSA-N 362.455 2.186 0 40 FEAB COc1ccc(CNC(=O)c2nn(-c3ccccc3Cl)nc2CO)cc1 21149020 QZWMUSJNPXWVHQ-UHFFFAOYSA-N 372.812 2.352 0 40 FEAB CSCc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2ccccc12 21473234 XCAGNRXMFZYGBN-UHFFFAOYSA-N 373.434 2.110 0 40 FEAB Cn1ccnc1SCCNC(=O)Cc1csc(-c2ccccn2)n1 32823465 FWKQNNFJUFLSOU-UHFFFAOYSA-N 359.480 2.390 0 40 FEAB CC1(C)CC(NC(=O)NCc2ccc(-n3cccn3)nc2)CC(C)(C)N1 32801796 RPJKFNGIHPPRAY-UHFFFAOYSA-N 356.474 2.376 0 40 FEAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 33117497 MYIQVNJHQASVAI-MOPGFXCFSA-N 364.445 2.198 0 40 FEAB CCOC(=O)C(=CN[C@H](C)C(=O)Nc1c(C)cccc1C)C(=O)OCC 103550321 PQTNNGGIEZEKFV-CQSZACIVSA-N 362.426 2.230 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 638116 MNBYYGNKCIXGGT-UHFFFAOYSA-N 361.423 2.050 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)NC[C@H](O)c3ccccc3)cn2)C[C@@H](C)O1 47527639 IWCROYXWDHIQEU-RKVPGOIHSA-N 355.438 2.159 0 40 FEAB O=C(CCn1cnc2sccc2c1=O)Nc1cccnc1-n1cccn1 23171000 QOMJJOSRFQOWOC-UHFFFAOYSA-N 366.406 2.068 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1105937 SBMYLBFZMNUKCR-GFCCVEGCSA-N 355.369 2.177 0 40 FEAB CCOC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958739 BMZOLKHFHAGQOO-JTQLQIEISA-N 352.412 2.456 0 40 FEAB Cn1ccnc1COc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 42743718 XVOGPSHZANOECI-UHFFFAOYSA-N 368.481 2.490 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)C1 54777185 ZBGZXQRRCVNSHN-GFCCVEGCSA-N 365.861 2.139 0 40 FEAB O=C(C1=COCCO1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 4583498 LPWKPJIJDCUFBR-UHFFFAOYSA-N 365.842 2.487 0 40 FEAB Cc1nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 12547919 SVMVCLQEQRAACF-OAHLLOKOSA-N 369.446 2.251 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 24816067 SQJUJOJFUKRJFK-HNNXBMFYSA-N 357.479 2.429 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 25054209 LWRHLGXCEJYTPO-CYBMUJFWSA-N 372.425 2.366 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 1425985 WYOVKLLKYSYADM-UHFFFAOYSA-N 362.451 2.483 0 40 FEAB Cc1nnc([C@@H](C)NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 95940057 FYLOHZIGFWAHNI-MLGOLLRUSA-N 360.483 2.407 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1 8327674 WIMGLGWMYMFGBC-UHFFFAOYSA-N 366.483 2.397 0 40 FEAB CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 56974774 PNPDVZVYYYJBQQ-UHFFFAOYSA-N 363.483 2.106 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)s1 57019454 CGEOAXVPXFNXMA-OAHLLOKOSA-N 368.455 2.489 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c1 58180512 JJQZQNALDGUDCF-UHFFFAOYSA-N 374.422 2.144 0 40 FEAB Cc1ccc(OC[C@H](O)Cn2nc(N3CCOCC3)sc2=S)cc1 58109585 RYRFFNQSJVVCDK-CYBMUJFWSA-N 367.496 2.259 0 40 FEAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 27617237 XPJHHVPQZNYJFB-QGZVFWFLSA-N 370.453 2.244 0 40 FEAB CNC(=O)c1ccc(Cl)c(NC(=O)NCCCN(C(C)=O)C(C)C)c1 58268705 REFMIJWDCPWOOD-UHFFFAOYSA-N 368.865 2.468 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)OCc2nc3ccccc3s2)C1=O 3369144 OCZOJZHUYSHDKA-UHFFFAOYSA-N 361.423 2.450 0 40 FEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2ccn(C)n2)CC1 100750119 QNDYJLNDBAZIKQ-JTDSTZFVSA-N 369.469 2.229 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nnc(-c2ccco2)s1 102862830 VCAIGDZIQLWSQO-PHIMTYICSA-N 374.422 2.302 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12856229 SKLQRAMXEIWAPG-HNNXBMFYSA-N 370.405 2.118 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 3563543 BDGAINWSZKGKED-HXUWFJFHSA-N 350.374 2.367 0 40 FEAB CCCC1(CCC)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O 12948161 IHSBPNBMGINTTM-UHFFFAOYSA-N 356.426 2.394 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccccc2F)C1=O)c1ccco1 9183965 IBDQLCIEJHGWOC-CQSZACIVSA-N 371.246 2.368 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13629446 RKACIEQFDZAEHF-LBPRGKRZSA-N 351.453 2.183 0 40 FEAB CCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 6006695 XCOISCZPCQLQFJ-UHFFFAOYSA-N 367.409 2.410 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)NCc2cccnc2)C1 65589160 MYICGRPMYPBNJE-MRXNPFEDSA-N 357.389 2.326 0 40 FEAB CCCCNC(=O)CN1CCN(C(=O)c2cc(C)n(C3CC3)c2C)CC1 14171558 PDSMQDHOSNXAQL-UHFFFAOYSA-N 360.502 2.114 0 40 FEAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14128733 FLJDIHHLPOQSLL-SECBINFHSA-N 373.442 2.077 0 40 FEAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)N[C@@H]1CCCCNC1=O 65789586 ODMQJMGSIBITPE-MRXNPFEDSA-N 353.426 2.151 0 40 FEAB O=C(CSCCN1C(=O)c2ccccc2C1=O)NCc1cccs1 6549586 VUVPUVDCHKRXOQ-UHFFFAOYSA-N 360.460 2.394 0 40 FEAB Nn1c(SCC(=O)NCc2ccccc2Cl)nnc1C(F)(F)F 6582165 IBMZWQXSMWCZFM-UHFFFAOYSA-N 365.768 2.073 0 40 FEAB COc1ccc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 6810275 LPTKIQCUNBBGRG-HNNXBMFYSA-N 363.435 2.426 0 40 FEAB O=C(Cc1cccs1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819760 LFJRNNJJVTTZDO-INIZCTEOSA-N 374.462 2.209 0 40 FEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)ccc21 7320459 DGNAPIIWNHQYTM-UHFFFAOYSA-N 356.407 2.273 0 40 FEAB O=C(CN1CCc2ccccc21)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 7347919 HMOKSCXJYMXRIP-GOSISDBHSA-N 370.474 2.269 0 40 FEAB C[C@@H]1Cc2cc(C(=O)CSc3ncccn3)ccc2N1S(C)(=O)=O 7417011 JHGJOJSUHZYJBP-LLVKDONJSA-N 363.464 2.162 0 40 FEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(F)c1 16681248 DNVBBUVBEIAVNW-UHFFFAOYSA-N 373.384 2.377 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)Nc3cccnc3N3CCOCC3)C2)n1 69036769 PNHHFYRZXTVDMR-AWEZNQCLSA-N 372.429 2.021 0 40 FEAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17584107 LUHUQYROFSHIHJ-UHFFFAOYSA-N 363.414 2.260 0 40 FEAB COc1ccc(NC(=O)c2nccnc2C(=O)O)cc1NC(=O)C1CCC1 72402020 OAVPIYNAJMJCRH-UHFFFAOYSA-N 370.365 2.174 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N1CC[C@@H](OCCCc3ccccc3)C1)CC2 89740838 DVHZZNDKMVXRKJ-RTBURBONSA-N 368.481 2.399 0 40 FEAB O=C1CCc2cc(OCC(=O)OCc3noc(-c4ccco4)n3)ccc2N1 24049364 CILQVVJJBDKMQU-UHFFFAOYSA-N 369.333 2.337 0 40 FEAB O=C(c1ncccn1)N1CC2(C[C@H](COCC3CC3)CCN2CC2CC2)C1 306132040 KWHUPRBUOFXJFR-GOSISDBHSA-N 370.497 2.220 0 40 FEAB COc1cccc(CN2CCc3nnc([C@H]4CCCN4C(C)=O)n3CC2)c1 72372766 VZFHFMUUQRQQOH-GOSISDBHSA-N 369.469 2.028 0 40 FEAB COc1ccc(NC(=O)Cn2c(=O)nc(N)c3c4c(sc32)CCC4)cc1 71281590 UZHRKZFVECKEFA-UHFFFAOYSA-N 370.434 2.176 0 40 FEAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449919 YEGOSVJYPNLOMJ-LBPRGKRZSA-N 370.471 2.443 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 72390816 MCTMSMYSOVNEBQ-SCLBCKFNSA-N 370.428 2.392 0 40 FEAB Cc1nc2c(C(=O)O)nc(-c3ccco3)cc2n1[C@@H]1CCS(=O)(=O)C1 35682603 APIKYEJOFMEHDC-SNVBAGLBSA-N 361.379 2.058 0 40 FEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968850 LDZPVDVBDFOLMP-HXUWFJFHSA-N 372.852 2.370 0 40 FEAB C[C@]1(C(=O)NCc2ccccc2NS(C)(=O)=O)CC1(Cl)Cl 36392288 UIIWGJIRFZLXTA-GFCCVEGCSA-N 351.255 2.258 0 40 FEAB NC(=O)CCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72363232 ZIFSRZAZRNLBFE-CQSZACIVSA-N 354.410 2.240 0 40 FEAB CN1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355182 GUUKWQPGZKKJOJ-KRWDZBQOSA-N 359.518 2.056 0 40 FEAB COC(=O)c1cn(C(=O)c2ccccc2NS(C)(=O)=O)c2ccccc12 222593301 PRJPHXCMPNGHEE-UHFFFAOYSA-N 372.402 2.488 0 40 FEAB Cc1nn2c(ncc3c(=O)n(C(N)=S)ccc32)c1-c1ccc(F)cc1 40397017 BDINPNBWLLCITE-UHFFFAOYSA-N 353.382 2.250 0 40 FEAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3nnc(C)s3)nc2s1 44893104 VMIMEUFVXSUEQG-UHFFFAOYSA-N 367.481 2.325 0 40 FEAB CCOc1cccc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1 96219738 QLBPECDPCKYFHG-BHYGNILZSA-N 357.410 2.249 0 40 FEAB Cc1cccc(CN2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)n1 96238227 WPGOXQUXARBGDF-IBGZPJMESA-N 356.495 2.375 0 40 FEAB O=C(C1CCOCC1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050648 NIDDUMWHULVKFE-FQEVSTJZSA-N 360.429 2.203 0 40 FEAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(C(=O)NC(C)C)CC2 96086815 BVSODAIQYPZKNY-UHFFFAOYSA-N 361.490 2.028 0 40 FEAB C[C@@H](Sc1cccc(C(N)=O)c1)C(=O)NC(=O)NCc1ccccc1 581636354 VAHGUOHGKVBBEJ-GFCCVEGCSA-N 357.435 2.292 0 40 FEAB C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCc1cnccc1C(C)(C)C 332307823 IEMHTIJKFIPYHP-CYBMUJFWSA-N 353.488 2.098 0 40 FEAB Cc1cccc2c1O[C@H](C(=O)Nc1cccc(N3C(=O)CCNC3=O)c1)C2 585140303 IKSJEKYSONSIBQ-INIZCTEOSA-N 365.389 2.384 0 40 FEAB CN(C)c1cc(N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)ncn1 248086304 DPPODWIUGAZSDM-OAHLLOKOSA-N 357.483 2.219 0 40 FEAB CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)ccn1 257263312 LPHCLCDHAWXIMJ-INIZCTEOSA-N 353.426 2.142 0 40 FEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257249255 JHMRAKMLOISQRK-AWEZNQCLSA-N 354.410 2.193 0 40 FEAB O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)c1coc2c1C(=O)CCC2 1610680071 SZUWUKCVFGCQAA-KRWDZBQOSA-N 355.346 2.289 0 40 FEAB C[C@H]1C[C@H](NC(=O)c2cc(F)cnc2O)c2ccsc2S1(=O)=O 622059388 OYWXMBLXQSPCDV-CPCISQLKSA-N 356.400 2.025 0 40 FEAB CC[C@@H]1OC2(CCN(C(=O)c3ccc(-n4cccc4)c(F)c3)CC2)NC1=O 1615590531 LDGWSOLKOBVUGT-KRWDZBQOSA-N 371.412 2.474 0 40 FEAB O=C(O)CC1(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)CCOCC1 663123000 GVDYADWEDYXHFS-UHFFFAOYSA-N 371.315 2.107 0 40 FEAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3)C2)cc1 585112402 PAVLHKQRZORSGF-GOSISDBHSA-N 374.510 2.423 0 40 FEAB O=C(c1cocn1)N1CC(F)(F)C[C@]2(CCN(CC3CCC3)C2=O)C1 585093064 KIQXXCBWFYKXCX-MRXNPFEDSA-N 353.369 2.175 0 40 FEAB COCC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585095032 ANCKSFKGWJVAOW-MRXNPFEDSA-N 356.422 2.454 0 40 FEAB COc1ccc(S(=O)(=O)N2CCc3c(C)cccc32)cc1CC(=O)O 678716808 PIXVHIAAFOOVLZ-UHFFFAOYSA-N 361.419 2.382 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Nc1ccnn1Cc1cccs1 40160120 NZWBDFKNFVUPIG-UHFFFAOYSA-N 368.418 2.357 0 40 FEAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cn2)c[nH]1 78967462 ZWFJORONRWVNBX-UHFFFAOYSA-N 374.216 2.150 0 40 FEAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@@H]1CCCC[C@H]1C 5416108 BPKWXPILWZNTSW-XJKCOSOUSA-N 371.437 2.174 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 12188787 ZZPVLROVWXSSAB-CQSZACIVSA-N 352.398 2.193 0 40 FEAB Cn1ncc2c1CCc1sc(NC(=O)COC[C@@H]3CCCCO3)nc1-2 12327392 SLKBUWBVFYBRQD-NSHDSACASA-N 362.455 2.166 0 40 FEAB O=C(O)COc1ccc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cc1 13864255 HEXJPMBYSPGFTM-UHFFFAOYSA-N 370.313 2.387 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 16099449 YWZIXKANBPWTPY-UHFFFAOYSA-N 364.379 2.183 0 40 FEAB Cc1nc(C[C@H](NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1 19285390 CJQLRWRHFVEAAP-KRWDZBQOSA-N 352.369 2.326 0 40 FEAB COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 19553089 RSGUGSJKEBHYIH-UHFFFAOYSA-N 366.417 2.492 0 40 FEAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 19585035 PEOZMUUXYPPODH-INIZCTEOSA-N 365.481 2.208 0 40 FEAB Cc1nc(CCc2nc3ccccc3[nH]2)cc(NCCN2CCCC2=O)n1 19719602 UWYTVGQOYXIJQM-UHFFFAOYSA-N 364.453 2.481 0 40 FEAB C[C@@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 19933884 WYALPEWNSQIADL-OAHLLOKOSA-N 350.484 2.484 0 40 FEAB CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C 12374354 SMTUNVAKPQEBNE-UHFFFAOYSA-N 352.485 2.379 0 40 FEAB O=C1CN(CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CCN1 19718728 ZSTWMRDNCCZBEI-UHFFFAOYSA-N 366.446 2.334 0 40 FEAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCN)CC2)on1 257284528 PDAXZVUGCWFZNE-SHTZXODSSA-N 357.458 2.487 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3465836 ZSLGQVJCHKOZMY-UHFFFAOYSA-N 371.422 2.134 0 40 FEAB O=C(N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1)C1(c2ccc(F)cc2)CC1 1888859996 KUOFFPHVOYKBPT-GJZGRUSLSA-N 352.413 2.242 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(S(=O)(=O)c2cccnc2)C3)nc1 1888869556 WNLUZWYVDJRUOU-CRAIPNDOSA-N 374.466 2.050 0 40 FEAB Cc1nc2ncnn2c(N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1C 1889139037 XOOAWQFYACFNJW-UHFFFAOYSA-N 372.864 2.290 0 40 FEAB CCn1cc(S(=O)(=O)N2CCC[C@H](COc3ccncc3)C2)nc1C 1889179477 KFAGUIIJZCRDNI-HNNXBMFYSA-N 364.471 2.086 0 40 FEAB Cc1csc2nc(CN3CCN(c4ccc(O)cc4)CC3)cc(=O)n12 24165233 JVDZZWDLZYMLKR-UHFFFAOYSA-N 356.451 2.092 0 40 FEAB CCOc1cccc2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2086992650 MJRBZOZMKRTNLA-UHFFFAOYSA-N 371.466 2.115 0 40 FEAB O=C(N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1ccc(F)cc1 2055738720 MLOOYMMYJKDYCN-AWEZNQCLSA-N 357.385 2.241 0 40 FEAB O=C(NCCc1ccccc1)C(=O)NCC1(c2cccs2)CCOCC1 21690639 WFROTBHYRJEJPD-UHFFFAOYSA-N 372.490 2.271 0 40 FEAB COc1ccc2cc(C(=O)NCc3nc(-c4cc(C)on4)no3)[nH]c2c1 575618100 ZFYIADVBXDKIBS-UHFFFAOYSA-N 353.338 2.453 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 40090544 GTGZIXDXMFUTRT-HUUCEWRRSA-N 362.445 2.243 0 40 FEAB CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1 40094829 LWKGYLDRPHOJLE-UHFFFAOYSA-N 359.813 2.345 0 40 FEAB Cn1cc(C(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cn1 40057362 NSACVIAAXPNFGV-UHFFFAOYSA-N 365.393 2.279 0 40 FEAB CCN(CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 102186494 LLXMAQLGJXCUMA-HDICACEKSA-N 371.481 2.194 0 40 FEAB COCCCn1cnnc1SCC(=O)N[C@H](C)c1ccc(F)cc1 32738723 STVDWSHOUDQQPF-GFCCVEGCSA-N 352.435 2.423 0 40 FEAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 102328806 XLHSIAZYPMTQSO-ZZCKCESHSA-N 358.438 2.091 0 40 FEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 41130859 XOJYUJUQSSQLEW-LLVKDONJSA-N 351.244 2.205 0 40 FEAB CNC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 32873584 FTLPPFMEDXXMHD-UHFFFAOYSA-N 357.395 2.155 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1N1CCCC1 102709075 CSEARLFKFCODBJ-HUUCEWRRSA-N 353.422 2.177 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)s1 22287237 GEEHMHVMFKPHSE-UHFFFAOYSA-N 364.492 2.394 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 23157120 QIOWAMYYTUXEAA-DOMZBBRYSA-N 362.451 2.291 0 40 FEAB NC(=O)CCN(C(=O)CSc1ncc2ccccn12)c1ccc(F)cc1 12540773 VAZUMOUWOAJOAU-UHFFFAOYSA-N 372.425 2.474 0 40 FEAB Cn1/c(=N\C(=O)CN2C(=O)COc3ccccc32)sc2ccccc21 104992293 INDNQDPGHOHPFK-VHEBQXMUSA-N 353.403 2.093 0 40 FEAB COc1cccc([C@H](NC(=O)/C=C/c2cnn(C)c2)c2nccn2C)c1 24019729 UHTLBFJGBDCFGZ-DVBCCOPCSA-N 351.410 2.081 0 40 FEAB CC1=NN(C(=O)c2ccc(O)cc2)[C@@](O)(C(F)(F)OC(F)(F)F)C1 6395382 JKICZIUPCPDZMQ-NSHDSACASA-N 354.231 2.432 0 40 FEAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 7882629 XEXDMUJORRSKJJ-GFCCVEGCSA-N 369.333 2.285 0 40 FEAB C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc2C1 43750407 NYIUIAMEABYUIE-HNNXBMFYSA-N 372.490 2.267 0 40 FEAB C[C@@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@H](O)/C=C\C(=O)O1 8582216 ZZWKZQDOSJAGGF-JTAUQEGKSA-N 365.470 2.075 0 40 FEAB in-vitro Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1Cc1ccco1 57362736 PGTDNGBNAIQZEZ-UHFFFAOYSA-N 357.454 2.483 0 40 FEAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N2CCCCC2)c1=O 57426681 OLTNYPJSWMQIPU-UHFFFAOYSA-N 363.483 2.283 0 40 FEAB O=C(CCNC(=O)c1ccco1)NCc1ccc(N2CCCCCC2)nc1 48263132 SEBVETMVEVQOKV-UHFFFAOYSA-N 370.453 2.491 0 40 FEAB O=C(CNc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCc2ccccc21 57818757 FKAFJODEOMUURE-UHFFFAOYSA-N 360.417 2.344 0 40 FEAB CCc1c(O)nc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O 10060474 NBDBFJAZLAOXAY-SNVBAGLBSA-N 361.423 2.360 0 40 FEAB Cc1nc(CSc2nnc(CCC(N)=O)n2Cc2ccco2)oc1C 58246555 NEIFOYWWXIWYFZ-UHFFFAOYSA-N 361.427 2.234 0 40 FEAB CC(C)[C@@H](C(=O)Nc1cccc(Cn2cncn2)c1)N1C[C@H](C)O[C@H](C)C1 58363793 UUHVFYIWNVANBO-FCEWJHQRSA-N 371.485 2.399 0 40 FEAB Cc1nn(-c2ccccc2)c2sc(C(=O)NN3CCN(C)CC3)cc12 3336515 SIRFTJYNWXFLTB-UHFFFAOYSA-N 355.467 2.288 0 40 FEAB C[C@@H](O)CNS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3 54363627 RUFGYINKGKFAFG-SECBINFHSA-N 370.268 2.360 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccc(F)cc1 48326363 GRFLPBTXJLGDQU-INIZCTEOSA-N 366.414 2.105 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cccs2)cc1 22227120 RKVHWXFEXSKQJR-UHFFFAOYSA-N 352.481 2.407 0 40 FEAB CCOc1ccccc1CNC(=O)c1cn(CC(OCC)OCC)nn1 58281571 VJVHNCOMDJSNJH-UHFFFAOYSA-N 362.430 2.006 0 40 FEAB CCOC(=O)CN(C(=O)CN(C)Cc1c(C)noc1C)c1ccccc1 46060588 REVYWSWLWAOYLU-UHFFFAOYSA-N 359.426 2.320 0 40 FEAB COc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1 20098333 YZQBURZFBBFMNN-UHFFFAOYSA-N 370.501 2.180 0 40 FEAB O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCN2CCC[C@@H]2C1 2791001 WYLJAASOSNQFBG-MRXNPFEDSA-N 365.412 2.456 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCCCCC2)cc1 21090011 UKLVMADMUHRNRP-INIZCTEOSA-N 364.467 2.077 0 40 FEAB CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@H](c2ccccc2)C1 12925507 JIFIDFIFRLTAHO-FQEVSTJZSA-N 361.449 2.455 0 40 FEAB COCc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 12984807 CJALTXMURWSFQE-CYBMUJFWSA-N 362.451 2.314 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1=O 13004578 ZGFHMRRQIHDBDE-OFQRWUPVSA-N 357.454 2.124 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 13117914 QPVDJBPHHAXGSN-HIFRSBDPSA-N 367.515 2.304 0 40 FEAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)N1CCNC1=O 95469957 HYHKXOFKCUEQDW-WCQGTBRESA-N 370.327 2.292 0 40 FEAB COc1ccc2nc(SCC(=O)Nc3sccc3C(N)=O)[nH]c2c1 4252321 RWWWBYCDCWJAJI-UHFFFAOYSA-N 362.436 2.463 0 40 FEAB COc1ccc(CCNC(=O)COc2ccc3c(c2)OCO3)cc1OC 6128809 FASMUSRRHUIMBF-UHFFFAOYSA-N 359.378 2.170 0 40 FEAB NC[C@H]1Cc2c(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc3n2C1 13982578 VCGDMSXJUNSZGP-CYBMUJFWSA-N 372.428 2.252 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218809 SXJYYCDYRBYVQJ-ADLMAVQZSA-N 365.380 2.133 0 40 FEAB C[S@](=O)c1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 65492631 PENUESAKAAOIEA-SSOJOUAXSA-N 356.447 2.127 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 4487850 MJFQMQCKFRMQEL-YCCFLXJFSA-N 363.410 2.330 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 14098626 LTBRAFNENZDLIN-IYBDPMFKSA-N 354.516 2.470 0 40 FEAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 65674575 KBOSIPKOOZNNNK-CABCVRRESA-N 356.470 2.092 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(F)c1 6587762 LUXVYCDPOABTLU-HXUWFJFHSA-N 367.380 2.466 0 40 FEAB O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(c2ccccn2)CC1 67283456 FRULKTREJUYZFE-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc12 15542427 WRBSFXCVJGBKFM-UHFFFAOYSA-N 365.345 2.289 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408587583 FCALPQQWWULITB-UONOGXRCSA-N 356.488 2.445 0 40 FEAB CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 8217057 MXAQZRDJKSIDKZ-LBPRGKRZSA-N 365.389 2.477 0 40 FEAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 20726891 QPFYTXSOJNHARL-BONVTDFDSA-N 362.817 2.282 0 40 FEAB COc1cc(C(=O)NCc2ccc3c(c2)OCCO3)cc(OC)c1OC 17859500 DIMZJVZPNVTNOL-UHFFFAOYSA-N 359.378 2.414 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 8772175 FTMQSBFKPPCABO-LLVKDONJSA-N 359.810 2.091 0 40 FEAB CCOc1ccc(CNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 20050000 HMQKHXQLKLZHJB-UHFFFAOYSA-N 363.435 2.492 0 40 FEAB CCOC(=O)CN(C)C(=O)c1ccc(F)cc1I 72075662 LONJSVPMDFJQGM-UHFFFAOYSA-N 365.142 2.065 0 40 FEAB O=C(Nc1cccc(NC(=O)c2ccccc2)c1)NN1CCCNC1=O 97117600 YLOREBZENUAUDT-UHFFFAOYSA-N 353.382 2.391 0 40 FEAB COc1cc(NC(=O)CCc2cc3n(n2)CCNC3)ccc1N1CCCC1 72468223 TTZQWXVZZXAUOS-UHFFFAOYSA-N 369.469 2.166 0 40 FEAB O=C(c1ccccn1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999102 OKMJWULKBNADRA-MRXNPFEDSA-N 371.462 2.079 0 40 FEAB O=[S@](Cc1nnnn1Cc1ccccc1)c1ccc2c(c1)OCCCO2 517430359 ATCSLEHGRDEZCT-AREMUKBSSA-N 370.434 2.191 0 40 FEAB C[C@H](CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccco1 527795893 DXNVTDXGJGDGQY-CQSZACIVSA-N 370.405 2.487 0 40 FEAB COc1ccc2sc(N3CC(C(=O)NCc4ccccn4)C3)nc2c1 75172320 GBQGLCXDTZIVHZ-UHFFFAOYSA-N 354.435 2.453 0 40 FEAB COc1c(C)cc(S(=O)(=O)NC[C@@](O)(c2ccco2)C2CC2)cc1C 75154968 FQZBHQDHASJBOX-SFHVURJKSA-N 365.451 2.481 0 40 FEAB CCc1nn(C)c2n[nH]c(NC(=O)[C@@H](C)N3CCc4ccccc4C3)c12 329762332 SNGWNIYOGNHHHP-GFCCVEGCSA-N 352.442 2.244 0 40 FEAB O=C(O)C[C@@H]1CCN(C2CCOCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 514288381 BVLNEEDOQSEPEC-KBPBESRZSA-N 358.442 2.092 0 40 FEAB biogenic,in-vitro O=C1NCCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@H]1CC1CCCCC1 578616722 IDWFDAFPWYRPNZ-SFHVURJKSA-N 367.453 2.178 0 40 FEAB COc1cccc(CN2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 96108128 ZBXGEPHGWDSXHY-PZJWPPBQSA-N 353.466 2.423 0 40 FEAB COc1cc(C)c([C@@H](C)NC(=O)N[C@@]2(C(=O)O)CCSC2)cc1OC 581287652 HLILOMYVRYMNQC-DIFFPNOSSA-N 368.455 2.333 0 40 FEAB COc1ccc(CN2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cc1 96057675 PGMOZKQNDBSGOA-QXAKKESOSA-N 360.454 2.229 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)C(=O)O)cc1 242498654 HMHPTOJAENQHEU-ZHALLVOQSA-N 359.447 2.273 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)ccc21 249685411 FSPNHVZNMKCFNL-RWMBFGLXSA-N 350.440 2.329 0 40 FEAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cnn(C)c2)C3)cs1 248112978 HUBLEMOULKCXCY-AWEZNQCLSA-N 364.496 2.102 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257216983 CWZKSJXCECGTQL-SFHVURJKSA-N 353.422 2.122 0 40 FEAB Fc1cccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)c1 257261046 LFMYXNSPLVAAAR-SFHVURJKSA-N 371.416 2.467 0 40 FEAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](C)CC2)c1 63274002 JZCWBGULLMDZHJ-CQSZACIVSA-N 368.499 2.182 0 40 FEAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257295617 QZEBHCZXWTUQQZ-SFHVURJKSA-N 350.426 2.392 0 40 FEAB Cc1nc2ccc(C(=O)N3CCC[C@@](O)(CN4CCCC4)CC3)cc2[nH]1 257274540 NLMNKTBIYCQELJ-FQEVSTJZSA-N 356.470 2.324 0 40 FEAB COc1ccc2c(c1)OCCN(C(=O)[C@@H]1Cc3ccccc3N1C(C)=O)C2 670141410 IBHLHCCSVCYXLY-IBGZPJMESA-N 366.417 2.394 0 40 FEAB O=C(O)Cc1csc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 675945354 UMAGACBUPPDBOJ-VXGBXAGGSA-N 360.391 2.284 0 40 FEAB CC(C)CN(C)Cc1cc2n(n1)CCN(C(=O)c1cnn3c1CCCC3)C2 72432304 WDNJNLQLUFNGDH-UHFFFAOYSA-N 370.501 2.160 0 40 FEAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3)C2)cc1 585112403 PAVLHKQRZORSGF-SFHVURJKSA-N 374.510 2.423 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585111469 BAVJWKWXJKDOIJ-MRXNPFEDSA-N 368.890 2.033 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72360401 YVAVXVQWAIXWON-AWEZNQCLSA-N 374.470 2.470 0 40 FEAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 58392489 ORHALQNEZPCFOR-AWEZNQCLSA-N 359.209 2.112 0 40 FEAB Cc1occc1C(=O)NN1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 5051318 DHVBNRVYPCRXFK-UHFFFAOYSA-N 357.410 2.466 0 40 FEAB COc1ccc2cc(C)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 12181523 FSEPKBSDPUEBLG-UHFFFAOYSA-N 368.437 2.415 0 40 FEAB O=C(c1cccnc1)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19340343 FYXXXXWSHNYTNR-UHFFFAOYSA-N 361.405 2.247 0 40 FEAB CC(C)C(=O)N1CCO[C@@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 19692546 DVELILVNYVIDTF-GOSISDBHSA-N 353.422 2.403 0 40 FEAB NCC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 19703050 VMRQYSUTTHLPME-UHFFFAOYSA-N 353.330 2.095 0 40 FEAB biogenic CC(C)(C)c1cn2nc(N3CCN(c4ncncc4F)CC3)ccc2n1 1888883432 QIUMNVAACBOBDL-UHFFFAOYSA-N 355.421 2.283 0 40 FEAB O=C([C@@H]1CN(c2nc3c(F)cc(F)cc3s2)CCO1)N1CCCC1 1889136327 NMNDYRWHSWQDMR-LBPRGKRZSA-N 353.394 2.402 0 40 FEAB Cc1nocc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984771 NKWNOEQEYZLQTK-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(=O)OCC)C2 4280323 BULORICKFBSTGI-UHFFFAOYSA-N 353.444 2.490 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 8954749 GPTRDCZYYKZZEN-UHFFFAOYSA-N 373.434 2.099 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccsc1)n1cccn1 575614426 SLPXQLYURRBPRO-AWEZNQCLSA-N 360.464 2.028 0 40 FEAB O=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc2c(c1)CCO2 390828719 TVNKPAGXLJYSMO-HNNXBMFYSA-N 363.439 2.188 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cnn(CC(F)(F)F)c3)C2)o1 96101443 BNGFRWLGMWBOQA-LLVKDONJSA-N 370.331 2.016 0 40 FEAB COc1cc(CNC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)N(C)C 40106847 HCLUCVHIOKBVDR-UHFFFAOYSA-N 374.412 2.160 0 40 FEAB CC(C)(C)c1nc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)no1 40105778 YRKWCDJHARGKFC-UHFFFAOYSA-N 373.505 2.003 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116789 GQMSAGJOBQTIKD-INIZCTEOSA-N 371.359 2.389 0 40 FEAB Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)c1c([nH]c(=O)[nH]c1=O)N2 31808966 HKMCTILOJQKLMD-SNVBAGLBSA-N 374.198 2.094 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 41883585 HYPFNSLQQNFMRS-GASCZTMLSA-N 362.445 2.243 0 40 FEAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1ccc2c(c1)OCCO2 22544624 BGFIOOSWCJFLCQ-LBPRGKRZSA-N 362.411 2.158 0 40 FEAB Fc1cccc(-c2nnc3sc(-c4cccn5nnnc45)nn23)c1F 12408099 HBHCLMNFVQNRCF-UHFFFAOYSA-N 356.321 2.236 0 40 FEAB O=C(NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccncc1 54389108 LQGNQGJFRBTTDY-UHFFFAOYSA-N 351.332 2.289 0 40 FEAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@@H](C(N)=O)C1 54456560 LGGDWDFJVTXMSF-LLVKDONJSA-N 351.472 2.379 0 40 FEAB CNC(=O)c1ccccc1NCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12527777 RMZTVUOKVOGUGC-UHFFFAOYSA-N 366.421 2.006 0 40 FEAB C[C@H](Cc1c(F)cccc1F)NC(=O)Cn1c(=O)n(C)c2ccccc21 55496155 ZARKFVIMYNBRLL-GFCCVEGCSA-N 359.376 2.366 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1OC 12699722 ZTMOJGPRDDTRDJ-SFHVURJKSA-N 374.418 2.415 0 40 FEAB Cc1nc(CN2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)cs1 48191542 WTOYQLRFDSWEJZ-UHFFFAOYSA-N 357.439 2.254 0 40 FEAB C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1ncc(-c2ccccc2)n1C 57996229 VCAZGCZTRBZMGO-ZDUSSCGKSA-N 361.467 2.308 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CNC2(c3noc(C)n3)CCCC2)c1 58084925 HSOQGAZQCJSLMA-UHFFFAOYSA-N 371.441 2.125 0 40 FEAB O=C(CNC(=O)c1ccco1)NCc1ccc(OCC(F)(F)F)cc1 12731528 HCKJXQBEIPPTIN-UHFFFAOYSA-N 356.300 2.267 0 40 FEAB CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2094784 IEVAAFNZGJRNGJ-INIZCTEOSA-N 373.405 2.420 0 40 FEAB biogenic CCNC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399839 PYXVREDESTWJIS-ZDUSSCGKSA-N 371.528 2.263 0 40 FEAB O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccccc2)CC1 2183624 WWAPNQKWAZMCKH-SFHVURJKSA-N 356.470 2.015 0 40 FEAB Cn1ccnc1[C@](O)(CC(=O)N[C@H]1CCc2ccccc21)C(F)(F)F 48366736 VAHSAMSHHZGGEE-XJKSGUPXSA-N 353.344 2.364 0 40 FEAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 36386899 FLIVXUILOLGTSV-IBGZPJMESA-N 366.465 2.396 0 40 FEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COc1ccc(F)cc1 12807619 PEYUDDFQNXALNN-HNNXBMFYSA-N 371.412 2.324 0 40 FEAB CCOc1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 3497909 CESYVYRVHJVCSL-QGZVFWFLSA-N 357.362 2.407 0 40 FEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ccccc2O)CC1 24615568 IVNFKHKGUVDCLZ-UHFFFAOYSA-N 354.406 2.402 0 40 FEAB CCOC(=O)Cc1nc(CCNc2cccc(Br)c2)n[nH]1 64873677 TUMJRDSZFWCPRZ-UHFFFAOYSA-N 353.220 2.327 0 40 FEAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC(n2cncn2)CC1 60293939 CGXGAGJXYVHQOX-VMPITWQZSA-N 365.437 2.282 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2621772 DWZQQTMYZSALPM-INIZCTEOSA-N 363.417 2.354 0 40 FEAB C[C@H](NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1F 22012174 IOHHJHHFBQRFSG-HNNXBMFYSA-N 374.435 2.355 0 40 FEAB Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12258683 SPQCBFNBNVDGGI-UHFFFAOYSA-N 363.439 2.403 0 40 FEAB O=C1COc2ccc(C(=O)Cn3cnc4cc(Cl)ccc4c3=O)cc2N1 12909819 RPMPYQWKDIXFRB-UHFFFAOYSA-N 369.764 2.264 0 40 FEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1Cl 12983133 NORBDESAJINNSH-UHFFFAOYSA-N 363.826 2.407 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249170 BFLQTOYIZLRGDW-CYBMUJFWSA-N 353.426 2.095 0 40 FEAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1nnc2ccccc2c1=O 5267355 GRSNMJKYFJBCLI-QGZVFWFLSA-N 365.393 2.340 0 40 FEAB CCC(=O)c1ccc(OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 14117661 DMXCDUMTMSMLLO-GOSISDBHSA-N 362.470 2.131 0 40 FEAB CN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O 14238601 ALJQITGTFVPDFR-OAHLLOKOSA-N 355.419 2.074 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 6539492 HMTKTJOGOMYCJR-ZDUSSCGKSA-N 357.410 2.485 0 40 FEAB COc1ccc(/C=C(\C(=O)N2CCCC2)n2ccccc2=O)cc1OC 4670435 XXXDUBKSSODSLZ-DTQAZKPQSA-N 354.406 2.486 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCn2cccc2[C@@H]1C 7007679 FCZBMLBWQKKRLV-LBPRGKRZSA-N 363.439 2.221 0 40 FEAB COC(=O)c1cc(NC(=O)/C=C/c2c(C)nn(C)c2C)cc(C(=O)OC)c1 15589528 ZYNDZLKSWKNNQY-VOTSOKGWSA-N 371.393 2.262 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 7212452 GZECETLROKOANZ-CYBMUJFWSA-N 362.517 2.040 0 40 FEAB NC(=O)[C@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 67710960 PLKOXOUEDQOGPB-AWEZNQCLSA-N 372.494 2.237 0 40 FEAB CCCn1cnc2c1CN(C(=O)c1ccccc1OC)[C@H](C(=O)OC)C2 15707000 CXKCPIMEAABMEN-HNNXBMFYSA-N 357.410 2.042 0 40 FEAB biogenic,in-vitro Cn1c(SCC(=O)NCCOc2ccccc2)nnc1C(F)(F)F 7442727 OUCWAHNYMQPQIS-UHFFFAOYSA-N 360.361 2.121 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCc3ccc(F)cc3)ccc2N1S(C)(=O)=O 7667577 NHPXHQJSDXSGKT-LBPRGKRZSA-N 362.426 2.466 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc2c1OCCO2 8016656 YACHQDFEEDLDOK-SNVBAGLBSA-N 370.361 2.438 0 40 FEAB COC(=O)c1cc(CNC(=O)c2cccc(OC)c2OC)ccc1OC 18060808 ANYWEZUWYKRSRL-UHFFFAOYSA-N 359.378 2.429 0 40 FEAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8746846 MGQBRRDPNLXINI-UKRRQHHQSA-N 350.484 2.011 0 40 FEAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C 22539829 KTFSIUSFFGHVLM-HNNXBMFYSA-N 352.500 2.461 0 40 FEAB CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)C(C)C)CC1 35291313 VBSSWRZILQWLAY-GOSISDBHSA-N 358.490 2.065 0 40 FEAB CC(=O)N(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 72371020 WECJYTHOXLNYIR-UHFFFAOYSA-N 356.401 2.382 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 36389564 HVXWXKTXPUSNJR-QFBVAWSSSA-N 374.824 2.403 0 40 FEAB CCCCN1C(C(=O)Nc2ncccn2)=C(O)c2ccccc2S1(=O)=O 38145190 RRPQQFDRCHCXEU-UHFFFAOYSA-N 374.422 2.146 0 40 FEAB Cc1ccc(-c2cc(C(=O)N3CCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325501 NILULGZXFHTYRA-MRXNPFEDSA-N 373.478 2.454 0 40 FEAB O=C(NCc1n[nH]cc1Br)[C@@H]1CCN(c2ccccc2F)C1 564463122 SUKJMJDLENHRFD-SNVBAGLBSA-N 367.222 2.454 0 40 FEAB Cc1ccc2c(cnn2CCC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1 223189742 TZSJDQPSSMTISB-MRXNPFEDSA-N 356.470 2.498 0 40 FEAB CC(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccco4)ccc3=O)ccc21 40286413 XDFYIGRWFBOUSK-UHFFFAOYSA-N 363.373 2.295 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccccc1F 223460691 ADTFUZGBKDQIAF-UHFFFAOYSA-N 374.503 2.384 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)NCc1ccnc(-c2ccsc2)c1 225756901 FTZYHFLCLFVJIS-UHFFFAOYSA-N 355.419 2.447 0 40 FEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCSCC1 95477753 ZDKJQWMAJACGKM-ZDUSSCGKSA-N 351.863 2.076 0 40 FEAB CC(=O)NCC(=O)N[C@H]1CC2(CCN(CC(C)C)CC2)Oc2ccccc21 96093987 DBSZCVFEMLWPPD-SFHVURJKSA-N 373.497 2.253 0 40 FEAB Cc1ncc(S(C)(=O)=O)c(N[C@H](Cn2cccn2)c2ccccc2)n1 95382651 DYEGWBDZNLGGKL-OAHLLOKOSA-N 357.439 2.238 0 40 FEAB COc1cc(N2CC3(C[C@@H](CCOCc4ccccn4)CCO3)C2)ncn1 247892253 NESJGKUWZKZNHN-INIZCTEOSA-N 370.453 2.473 0 40 FEAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 247966189 XELUVIZDYSIINF-MRXNPFEDSA-N 362.445 2.481 0 40 FEAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)Cc1ccc(F)cc1OC)C2 248152680 UUJBPDSHYGNOFX-HNNXBMFYSA-N 364.461 2.336 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc2c(c1)CCC2 245227198 FOUAYSBWKIMSHD-WDYSCTGBSA-N 362.429 2.167 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2Cc2ccc3c(c2)OCCO3)n1 257205514 AZLMYPNFKHJGAE-OAHLLOKOSA-N 356.426 2.171 0 40 FEAB O=C([C@@H]1CN(c2ccc(F)cc2)CCN1)N(Cc1ccccn1)C1CC1 257270691 MVGOZYNTRCMEQL-IBGZPJMESA-N 354.429 2.190 0 40 FEAB CN(C)c1nccnc1[C@@H]1CN(Cc2nc3ccccc3n2C)CCO1 257307992 TUZXPEQHAWXOLJ-INIZCTEOSA-N 352.442 2.003 0 40 FEAB COc1ccc2c(c1)N(C(=O)Cn1cc(Br)cn1)C[C@H](C)O2 266040426 KWDBNXQPMGMVEE-JTQLQIEISA-N 366.215 2.468 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 643745643 OGCHTTHFFYFRKG-NRFANRHFSA-N 354.450 2.468 0 40 FEAB CCc1ncc(CNC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)o1 645443264 FGRFBMWIKAQWBY-OAHLLOKOSA-N 356.426 2.085 0 40 FEAB O=C(CN1C(=O)CCc2ccccc21)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653330486 GDBSLEGKCSIKJK-SJORKVTESA-N 364.401 2.395 0 40 FEAB Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)c(C(C)C)n1 685941285 FUPMKXNWOMIHOJ-LIRRHRJNSA-N 356.426 2.245 0 40 FEAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 75148540 HOZHIHNJDPFADW-CZUORRHYSA-N 362.426 2.122 0 40 FEAB O=C(Cn1cc(NC(=O)c2c[nH]c3ncccc23)cn1)NC1CCCC1 61562991 RTDOOGXDELBCJB-UHFFFAOYSA-N 352.398 2.071 0 40 FEAB CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(C)c(-c3cnn(C)c3)c2)C1 632102884 NUXHVTSLTNSNER-MRXNPFEDSA-N 354.454 2.336 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1 12938831 VLNNJBQJCMPOEV-ZDUSSCGKSA-N 352.442 2.476 0 40 FEAB CC(=O)O[C@@H]1OCCO[C@H]1NC(=S)Nc1cccc(C(F)(F)F)c1 13685870 RSMCQGMWTWXNOG-NEPJUHHUSA-N 364.345 2.254 0 40 FEAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575411 HQEWDYULYPMSDL-CQSZACIVSA-N 354.472 2.153 0 40 FEAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(C(=O)c3cnccn3)CC[C@@H]21 19235207 LALGUXRKGPIASO-BJLQDIEVSA-N 364.449 2.262 0 40 FEAB CCCn1cc(S(=O)(=O)NCc2nc3ccccc3n2CC)c(C)n1 19526066 ISDAGXZDWDZEHM-UHFFFAOYSA-N 361.471 2.450 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccnc3ncnn23)c(OC)c1 19551928 SVIGEKFFOZZTGC-CQSZACIVSA-N 353.382 2.119 0 40 FEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(C)=O)C2)nc1C 19766085 WJOKZSUDGNTUMM-CQSZACIVSA-N 354.410 2.382 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)n2)cc1 169680738 ZZCZHLMJVAXOGW-DJIMGWMZSA-N 365.433 2.247 0 40 FEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 16899999 VLTBLBWCLUYPMJ-LLVKDONJSA-N 372.240 2.377 0 40 FEAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccc1 13268687 VYLZRNSVEHBCHU-MRXNPFEDSA-N 371.418 2.186 0 40 FEAB Cc1ccc(OCC2(O)CCN(C(=O)CCc3cnn(C)c3)CC2)cc1C 2037915976 FLXCAQDQGAJLPF-UHFFFAOYSA-N 371.481 2.402 0 40 FEAB COC(=O)[C@@](NNc1ccccc1C)(NC(=O)c1ccco1)C(F)(F)F 3616609 OASUIQLQICIDLV-HNNXBMFYSA-N 371.315 2.366 0 40 FEAB Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)C)nn3c2=O)c1 16844330 IBRPZIQPHIASAL-UHFFFAOYSA-N 357.439 2.339 0 40 FEAB CCC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 32210631 XRCZZVVWVGSUGJ-CQSZACIVSA-N 350.440 2.437 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CCS(=O)(=O)C3)s2)o1 40090278 QPPWKLPOGCFWIF-NSHDSACASA-N 354.453 2.184 0 40 FEAB C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)n1nnc(-c2cccc(F)c2)n1 31734522 FBOVRDODNSCNHR-SNVBAGLBSA-N 367.340 2.254 0 40 FEAB COc1ccccc1C(=O)NCCNC(=O)c1cn(C)c2ccccc12 32124160 BPQHKGMFNYVEHI-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB biogenic CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc3cccnc23)cc1 32755025 ITLVSJZTDPJEOQ-UHFFFAOYSA-N 363.416 2.406 0 40 FEAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3nncn3C)c12 32778168 YHMAHMOFNXCFSP-UHFFFAOYSA-N 354.395 2.318 0 40 FEAB COc1ccc(-n2c(C)nnc2SCC(=O)NCc2ccccn2)cc1 22927581 ZAUJFKJQQFLHLN-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB CCCS(=O)(=O)N1CCC(NCc2nc3ccccc3n2CC)CC1 54041211 YWBRQPFJIADILB-UHFFFAOYSA-N 364.515 2.350 0 40 FEAB C[C@@H]1CN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)C[C@@H](C)O1 1105195 ZPKFRJKNKHKHAV-HUUCEWRRSA-N 362.495 2.473 0 40 FEAB NC(=O)C(=CNc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(N)=O 1637206 NYUREPFBBIUCSR-UHFFFAOYSA-N 357.222 2.383 0 40 FEAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@H]1C(=O)O 4085474 ADLQHGOSJQKJRI-ZENOOKHLSA-N 360.435 2.111 0 40 FEAB biogenic COC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392547 SOMKOWDPYPRCPI-SNVBAGLBSA-N 371.480 2.177 0 40 FEAB Cc1ccc(CN2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 6725597 JUGLFZZRRPEIIX-HCXYKTFWSA-N 356.466 2.386 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCc2ccccc21 7990040 XPFFRAVIFRIMPI-INIZCTEOSA-N 360.435 2.150 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCC(C(=O)NC2CC2)CC1 55915187 HGFIOPMPVQGHCF-SNVBAGLBSA-N 369.387 2.422 0 40 FEAB COCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 8091330 KPCSMZWCKNFQJQ-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1 43981008 WTWSRABJFANDOJ-CQSZACIVSA-N 359.451 2.245 0 40 FEAB CCN(C)[C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 57834206 LZVXIPIFSGLYMM-MSOLQXFVSA-N 353.470 2.255 0 40 FEAB COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccco3)n2)c(OC)c1 58225063 UOBCRNBUPAUJOR-UHFFFAOYSA-N 374.422 2.490 0 40 FEAB C[C@@H]1CN(CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 58210701 QXBJAKQAYXHJHU-IAGOWNOFSA-N 371.485 2.171 0 40 FEAB COc1ccc(OC)c(CCC(=O)NCCC(=O)Nc2cccc(C)n2)c1 58245954 FLQPUXDBZPYCEX-UHFFFAOYSA-N 371.437 2.485 0 40 FEAB Cc1cccc(N2N=C(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CCC2=O)c1 12755479 AULFUAWLTTXKDT-UHFFFAOYSA-N 363.377 2.286 0 40 FEAB CCCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2c1=O 3318165 PNLFORQKYGUMRA-UHFFFAOYSA-N 365.389 2.465 0 40 FEAB Cc1ccc(C)c(-n2cnnc2SCc2nc(N)nc(N(C)C)n2)c1 10534627 JHISEHLISMZFGV-UHFFFAOYSA-N 356.459 2.010 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C=O)cc1 3387004 GNNVCXIKOCEZRG-UHFFFAOYSA-N 355.346 2.471 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 48332887 UMIWLDKSHOALRQ-RBUKOAKNSA-N 358.482 2.495 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 101413039 LEALWQJHZLZUMP-YESZJQIVSA-N 356.422 2.275 0 40 FEAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)/N=c1/sccn1C 102782174 OMSKWINHQXXGEW-SMROEBSISA-N 374.285 2.156 0 40 FEAB Cc1nn(C)c2ncc(C(=O)O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc12 36713374 PARBFLQEUAGTHN-AWEZNQCLSA-N 366.421 2.481 0 40 FEAB COc1cc(S(=O)(=O)N(C)c2ccccc2)cc(C(=O)O)c1OC 45945822 AOFIWNZXOPNSTE-UHFFFAOYSA-N 351.380 2.227 0 40 FEAB CCOC(=O)c1sc2ncn3nc(Cn4ccc(C)n4)nc3c2c1C 2791641 GFJNESYFDZPZAM-UHFFFAOYSA-N 356.411 2.377 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O)c1ccccc1 3596776 FQUSTWWAEZNMGT-CRAIPNDOSA-N 365.433 2.417 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)nn1-c1ccccc1 46954300 YASCAWYKOWWRIG-RDJZCZTQSA-N 368.481 2.391 0 40 FEAB CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2ccccn2)C1 12314444 KQVRANNAFJLGSE-MRXNPFEDSA-N 367.453 2.152 0 40 FEAB S=c1n(CN2CCOCC2)nc(-c2cccnc2)n1Cc1ccco1 12984355 PPJCXMZMRVBRRR-UHFFFAOYSA-N 357.439 2.407 0 40 FEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2N2CCOCC2)C1 95392578 YKFCBOOOKGUKKU-HZPDHXFCSA-N 360.454 2.185 0 40 FEAB COc1ccc(C2=NC(C)(C)N(CC(=O)NCc3ccccc3)C2=O)cc1 71327800 RCLKRZNXUHAETQ-UHFFFAOYSA-N 365.433 2.379 0 40 FEAB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)o1 4078779 UFERNFZALOKWME-UHFFFAOYSA-N 368.324 2.149 0 40 FEAB O=C1Cc2cc(Cl)ccc2N1C(=O)NS(=O)(=O)c1ccccc1 96191035 MSCNGXKSVDVJRW-UHFFFAOYSA-N 350.783 2.328 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 49613414 FSUWWMIHSNAVGQ-HNNXBMFYSA-N 350.378 2.493 0 40 FEAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H](C(=O)O)C3)ccc12 13623799 SWLDTKKVCXKXIK-CYBMUJFWSA-N 359.378 2.112 0 40 FEAB CCS(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O 64827348 BQIKYQRFRMUGIM-UHFFFAOYSA-N 352.334 2.037 0 40 FEAB O=C(COc1ccccc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714399 CEKAUCYTUPCUIO-UHFFFAOYSA-N 354.406 2.105 0 40 FEAB O=C1NC2(CCCCCC2)C(=O)N1CCCS(=O)(=O)c1ccccc1 65565803 KQDQGWHARFCGMW-UHFFFAOYSA-N 364.467 2.495 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)OCc2nc3ccccc3s2)CC1 14172042 UVUUUDWQGDPGFM-UHFFFAOYSA-N 354.453 2.011 0 40 FEAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)C[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 5914924 WJXZXBZHONCJPI-ZKNHNOBHSA-N 366.502 2.162 0 40 FEAB Cc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 96544291 XLYRBFCKCNKEHZ-MDWZMJQESA-N 372.406 2.153 0 40 FEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1 15832027 BPRRISKTWVWFHA-NSHDSACASA-N 366.468 2.354 0 40 FEAB COc1cccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)c1 28535690 BOQAFEUSYZGSSN-UHFFFAOYSA-N 355.423 2.397 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1cccc(F)c1 7810822 NDQDEBQUJOZSBA-UHFFFAOYSA-N 355.369 2.490 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 81532708 WVKAJTHSIKXJPZ-APHBUQMISA-N 354.447 2.159 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC12CC3CC(CC(C3)C1)C2 9721232 MDJXSROTUQAPTA-UHFFFAOYSA-N 359.470 2.326 0 40 FEAB COc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(N)=O)C3)cs2)cc1 8267854 CKRPUJPXZFYQAN-CYBMUJFWSA-N 359.451 2.085 0 40 FEAB CC(C)Sc1nnc(SCC(=O)NCCCN2CCCC2=O)s1 8428870 ZGBPKJVQPUOFAB-UHFFFAOYSA-N 374.557 2.259 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl 23080311 XTICIEWTKADCJS-QGZVFWFLSA-N 370.844 2.348 0 40 FEAB CC(=O)NC(C)(C)c1noc(C[C@](O)(c2ccc(C)o2)C(F)(F)F)n1 97102705 JMZVGOBGUUQHKD-AWEZNQCLSA-N 361.320 2.335 0 40 FEAB CCS(=O)(=O)c1ccc2oc(CN3CCCC[C@@H]3C(=O)OC)nc2c1 84811664 FISWDUTYEMOTAT-CQSZACIVSA-N 366.439 2.149 0 40 FEAB COc1cc(C(=O)OCC(=O)N(C)Cc2cccs2)c(F)cc1N 89363725 SRWIHRNDZNJJJA-UHFFFAOYSA-N 352.387 2.293 0 40 FEAB COC(=O)C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)CCO1 75104460 FZDMUANULNYDSW-HNNXBMFYSA-N 360.435 2.143 0 40 FEAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2c([nH]c3ccccc23)C1 89916729 OAKUKHJXLJXMHI-SFHVURJKSA-N 362.433 2.332 0 40 FEAB CNC(=O)Cn1cc(N[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)cn1 546534834 GMIPIAPTZSNRAN-AWEZNQCLSA-N 371.224 2.262 0 40 FEAB CC(C)CNC(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1 36382475 FYVSBEXVQYBHBC-UHFFFAOYSA-N 369.465 2.075 0 40 FEAB CC(C)c1csc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 524735249 LBWYUISOFUQMOO-INIZCTEOSA-N 370.482 2.396 0 40 FEAB COCCn1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1=O 31534274 MHFMUZWWYHCHOU-UHFFFAOYSA-N 358.419 2.449 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1CCCC1 30751176 AXLKKEJWMHKNAR-UHFFFAOYSA-N 366.483 2.031 0 40 FEAB CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 30583901 ABPJVWNFGRCZMI-ONOODXEBSA-N 366.483 2.029 0 40 FEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@H](c2cccnc2)C1 566357522 ATYFRZNJZDTVPK-KSSFIOAISA-N 353.422 2.274 0 40 FEAB COCCN1C(=O)c2ccccc2NC12CCC(CS(C)(=O)=O)CC2 563346998 IGGJPPCWGLZMTO-UHFFFAOYSA-N 366.483 2.132 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223571606 KVJPKIBSQBCJES-BMGDILEWSA-N 372.494 2.027 0 40 FEAB CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccccc2)CC1 226260087 DTQNWFSXPNEFMV-UHFFFAOYSA-N 354.454 2.428 0 40 FEAB Cn1nnn(-c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)c1=O 77100102 IZJYVQRCXZRSNM-UHFFFAOYSA-N 374.404 2.441 0 40 FEAB C[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)O)cc2)Cc2ccccc2O1 575936083 KXVOFQFZBLJQHV-PBHICJAKSA-N 357.406 2.408 0 40 FEAB CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(C)=O 225818928 NQWLIFORMHDSNH-UHFFFAOYSA-N 351.453 2.240 0 40 FEAB CCOc1ccc(CC(=O)N2CC[C@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120061 GDZFKMRNANCASY-INIZCTEOSA-N 353.484 2.442 0 40 FEAB CN(C)c1nccc(N2CCN(CCCN(C)c3ccccc3)CC2)n1 580890315 JHAGVAOCBIAEJE-UHFFFAOYSA-N 354.502 2.191 0 40 FEAB Cc1cccc(N2CCOC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)n1 96240125 LHZZXUURNPGINT-HXUWFJFHSA-N 371.412 2.168 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(CCc3ccccc3)C2)C1 96226034 OFENGHPEAZUZNK-FQEVSTJZSA-N 350.422 2.484 0 40 FEAB CCN1CCC[C@H]1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 95478864 TYLLTWLVJJKBNN-HNNXBMFYSA-N 356.470 2.120 0 40 FEAB CN1[C@@H](COCC2CC2)CCC12CCN(C(=O)C1CCOCC1)CC2 96208741 CKDYIBNPCIJBRZ-GOSISDBHSA-N 350.503 2.295 0 40 FEAB O=C(Cc1cc(F)c(F)cc1F)N1CCN(CCc2ccncc2)CC1 95480384 SGXDDBUVMDWREB-UHFFFAOYSA-N 363.383 2.428 0 40 FEAB O=C(c1cnccn1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211722 WPBSCDPJKYMFMF-UHFFFAOYSA-N 368.828 2.483 0 40 FEAB COC(=O)C[C@@H](c1ccccc1OC)c1c(O)nc2ccccn2c1=O 96116978 ZPYONFHYQIPJIO-ZDUSSCGKSA-N 354.362 2.104 0 40 FEAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2ccccn2)CC3)c1 96051723 YNUJRLZTKTWESH-KRWDZBQOSA-N 352.438 2.235 0 40 FEAB Nc1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ccn1 257282456 OTVCKCNPXCWJAB-KRWDZBQOSA-N 355.438 2.269 0 40 FEAB Cc1cnn(C[C@@H]2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)CCO2)c1 270678162 RLFXHIASPGUARJ-MOPGFXCFSA-N 355.438 2.237 0 40 FEAB CNS(=O)(=O)C[C@H]1CCCN1CCc1cccc(C(F)(F)F)c1 628187513 SCFIYTHLHUMXML-CQSZACIVSA-N 350.406 2.262 0 40 FEAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cccc(Br)c2)C1 643755812 DHTWIYIJJMFXHM-INIZCTEOSA-N 355.276 2.254 0 40 FEAB CC(C)Cn1ccc2c(C(=O)N3CCC[C@](O)(CC(N)=O)C3)cccc21 644000840 XZCKFQKQXWKYBH-FQEVSTJZSA-N 357.454 2.140 0 40 FEAB CCc1noc(COC2CN(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)C2)n1 644287208 IYXQZUWNMLAOJG-NSHDSACASA-N 374.397 2.032 0 40 FEAB O=C(NCCc1ccnc2ccccc12)N[C@H]1C[C@H]2CCCCN2C1=O 661299926 GFBPTBIBTAUBIY-QAPCUYQASA-N 352.438 2.230 0 40 FEAB CCCCc1nnc(NC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)s1 668421543 GRSWZDVYUJJEST-UHFFFAOYSA-N 372.516 2.456 0 40 FEAB C[C@@]12C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1CCC1=C[C@@](C)([C@@H](O)CO)CC[C@H]12 138437869 UWBQESXNYLGFQE-MHAIDTMBSA-N 352.471 2.344 0 40 FEAB biogenic,in-vitro COc1cccc([C@@H](NS(=O)(=O)c2cnc(C3CC3)s2)C(=O)O)c1 585098025 GZAWCGRDDSTJDR-CYBMUJFWSA-N 368.436 2.133 0 40 FEAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1COCC(C)C 585097600 NJDBWZJREAKTMM-INIZCTEOSA-N 358.442 2.374 0 40 FEAB Cc1ccc(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1 47277543 XWXLGPCSAJSNRC-UHFFFAOYSA-N 360.435 2.422 0 40 FEAB COc1ccc(OC)c(CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 54264227 GWLSQZPRBHDZOI-MRXNPFEDSA-N 370.453 2.069 0 40 FEAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 12614763 BFDKMBXMZKPUMT-HXUWFJFHSA-N 368.364 2.411 0 40 FEAB CCCCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 16710489 WYGVCGRYYNBSHP-UHFFFAOYSA-N 353.728 2.146 0 40 FEAB COCc1ccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)o1 19594488 VZXZBEOARRKLEL-NSHDSACASA-N 371.484 2.061 0 40 FEAB COCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19589422 ZURQUYBNWBRILV-FQEVSTJZSA-N 366.461 2.459 0 40 FEAB CN([C@@H]1CCCN(c2nc3ccc(F)cc3o2)C1)S(=O)(=O)C1CC1 1888869377 CRKCNWDWBKWDFY-GFCCVEGCSA-N 353.419 2.360 0 40 FEAB CCN(C(=O)CNC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1 1133574333 WPPTVPRWGAIACC-MRXNPFEDSA-N 351.406 2.282 0 40 FEAB O=C1COc2cc(C(=O)OCc3nc(-c4cccs4)no3)ccc2N1 24971731 DJDSOKIPGPWRHZ-UHFFFAOYSA-N 357.347 2.486 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245231456 CYQBIBRVAZRZGH-SRTKAIALSA-N 367.373 2.161 0 40 FEAB COc1cc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)on1 1565553313 SYHQCUFPFOFLAL-UHFFFAOYSA-N 356.407 2.443 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565552650 RDXNNCMIYGXSDJ-ROUUACIJSA-N 368.437 2.063 0 40 FEAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccccc2F)C1=O)c1ccco1 9183966 IBDQLCIEJHGWOC-AWEZNQCLSA-N 371.246 2.368 0 40 FEAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccccn2)C1 2055746455 HYCLIGLEDQRXBH-FQEVSTJZSA-N 372.444 2.040 0 40 FEAB CCC(CC)CN1CC[C@H]2C[C@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 2055731775 UQMHIRVTUBDKJK-IPMKNSEASA-N 352.519 2.445 0 40 FEAB CNC(=O)[C@@]12CCC3(CCN(Cc4cccc(OC)c4)CC3)[C@@H]1CN(C)C2 2055796035 NXECEMWJWHMYCA-SIKLNZKXSA-N 371.525 2.365 0 40 FEAB O=C(NCC1CCN(c2ncccn2)CC1)c1cc(-c2ccco2)on1 43977146 ANTZZHZEBCHDNH-UHFFFAOYSA-N 353.382 2.371 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 126177551 TUEMGQZRGVSYNO-UHFFFAOYSA-N 374.391 2.096 0 40 FEAB Cc1cc2ncc3c(n2n1)CC[C@H](NC(=O)c1cc2ccccc2oc1=O)C3 618256708 LCVLMQKEDNVFFJ-HNNXBMFYSA-N 374.400 2.431 0 40 FEAB COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2ccccc21 100876340 PYDXRQJSPPJMNI-HNENSFHCSA-N 356.403 2.382 0 40 FEAB Cc1ccc(CC(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 40090564 QIDUFUQKJZFXTA-IAGOWNOFSA-N 358.482 2.412 0 40 FEAB Cn1cnc(S(=O)(=O)Nc2ccc(Oc3ncccn3)cc2)c1Cl 40152634 QMOMJFLCCKZHNB-UHFFFAOYSA-N 365.802 2.457 0 40 FEAB CCOC(=O)N1CCC(NC(=O)NCc2ncc(C)c(OC)c2C)CC1 51335466 LLLHRPXLZQOUPM-UHFFFAOYSA-N 364.446 2.127 0 40 FEAB O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 32092863 IJTSCEUCVXBTMG-MRXNPFEDSA-N 373.434 2.248 0 40 FEAB C[C@H](OC(=O)Cc1csc(-c2ccccn2)n1)C(=O)NCC(F)(F)F 20978092 ZCMKTNNXDWICDJ-VIFPVBQESA-N 373.356 2.358 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)c1csc2c1CCCC2 102220979 ZAXVJMCAJYSASA-GREKMHCPSA-N 356.447 2.469 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 102361887 AZILDUUYUIDGLK-ZZCKCESHSA-N 358.413 2.387 0 40 FEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 12567703 ODGCQCFSLZKGTN-HUUCEWRRSA-N 370.405 2.128 0 40 FEAB CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3cccc(O)c3)C2=O)cc1 892399 ZKJXFXLDQWATDV-INIZCTEOSA-N 354.362 2.313 0 40 FEAB CCc1cc(=O)[nH]c(CN2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)n1 79102160 KXLVVBDRTDODJD-INIZCTEOSA-N 368.481 2.170 0 40 FEAB COc1cc(Br)c2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CCNC2 34033246 AFUUXYKUROZLEN-UOWOHEGISA-N 352.228 2.271 0 40 FEAB CCn1cc(CN(C)C(=O)c2nn(CC)cc2Br)c(C)n1 2778202 NQFCRSKTEYWTOS-UHFFFAOYSA-N 354.252 2.463 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc2c1CCCC2 4076307 URKJSKVDJFPMFH-FTUNRGFVSA-N 350.418 2.311 0 40 FEAB O=C1CCCN2N=C(SCC(=O)Nc3ccc(F)cc3)SC2=N1 4088858 KXUOYILZRZRGRX-UHFFFAOYSA-N 352.416 2.494 0 40 FEAB CCOc1ccc(OCC)c(NC(=O)CSc2nc(N)cc(N)n2)c1 4126916 GWUZYMCRSWFVTR-UHFFFAOYSA-N 363.443 2.169 0 40 FEAB COc1ccc(NC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 4981999 RZWNMRXTTOURHR-UHFFFAOYSA-N 361.442 2.378 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1 7379549 ACWUNSIMANUIRD-UHFFFAOYSA-N 356.378 2.335 0 40 FEAB COc1ccc(C)cc1CN(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O 25231489 CETPYVIIBOMENH-INIZCTEOSA-N 368.433 2.093 0 40 FEAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)c1 8474657 AZZHNKBQNLKHQH-UHFFFAOYSA-N 362.411 2.056 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2n[nH]c(-c3ccncc3)c2C)cc1 89547768 RHSBAISYLHZHDM-UHFFFAOYSA-N 372.406 2.368 0 40 FEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(F)c2)c1=O 57485860 WFRWYZZDIBUXFO-UHFFFAOYSA-N 361.398 2.413 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 57416771 MOBWDFYXDLGCHM-UHFFFAOYSA-N 352.438 2.454 0 40 FEAB CCN(CC)C(=O)CSc1nc(O)c(C)c(=O)n1-c1ccc(F)cc1 59203225 SJMQBOWQFREVAI-UHFFFAOYSA-N 365.430 2.346 0 40 FEAB O=C(Nc1ncccc1O)[C@H]1CCC[C@@H](C(=O)Nc2ncccc2O)C1 58401969 IKKHAYJDLDGKNA-TXEJJXNPSA-N 356.382 2.271 0 40 FEAB COc1cc(OC)c(C(=O)OCC(=O)NC2CCCCC2)cc1OC 3316910 KXNLBNQGVIGTIX-UHFFFAOYSA-N 351.399 2.318 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 3311870 PAPVBWMLCBGBMD-UHFFFAOYSA-N 350.758 2.086 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)on1 100137754 RQXDRMZDDLCLPP-CYBMUJFWSA-N 355.398 2.368 0 40 FEAB O=C(COc1c(CO)cc(F)cc1CO)NCCc1cccc(Cl)c1 12897877 MKWBFQSIBOZEIO-UHFFFAOYSA-N 367.804 2.201 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 3455954 LTGOOHBHKPVBFG-ZDUSSCGKSA-N 361.829 2.400 0 40 FEAB COCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 12113446 NSLPGMLWMLULOT-ZDUSSCGKSA-N 356.209 2.090 0 40 FEAB Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)O 2727624 SPQJISBEHAFMNZ-UHFFFAOYSA-N 371.319 2.240 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)c3nc4ccccc4c(=O)[nH]3)c2c1 12296353 OCLRPCMEVRHGDO-UHFFFAOYSA-N 362.389 2.386 0 40 FEAB biogenic CCn1ccc([C@@H](C)NC(=O)c2cc3ncc(Br)cn3n2)n1 2808802 DHKAKVGZUGPJBN-SECBINFHSA-N 363.219 2.199 0 40 FEAB C[C@H](NC(=O)CSc1ccccc1)c1ccc(S(N)(=O)=O)cc1 3452204 BODARHYKWNNKCM-LBPRGKRZSA-N 350.465 2.304 0 40 FEAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCN(C)C 9315213 MODPEWUNQYZUBN-FQEVSTJZSA-N 355.482 2.201 0 40 FEAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1C 14116888 IMOOVLUKUCNHGM-KRWDZBQOSA-N 353.422 2.471 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)OCC(=O)c1ccc[nH]1 9314188 DNTQVRSETCQCBW-UHFFFAOYSA-N 351.362 2.426 0 40 FEAB CCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(OC)cc1 5718933 IACRYYBXRHPUBV-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(C(N)=O)cc1 7198306 HXVZWRPAYLOSRQ-ZETCQYMHSA-N 373.360 2.052 0 40 FEAB Cc1ccc(NC(=O)NC(=O)CN2CC(=O)Nc3ccccc32)c(C)c1 8394100 BHXQAWFSRHSXGX-UHFFFAOYSA-N 352.394 2.410 0 40 FEAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 8327919 KKPHFAHPEFHHOS-MLGOLLRUSA-N 373.482 2.460 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)OC 8315325 NJJUOZMDQLAEEV-ABAIWWIYSA-N 359.426 2.042 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8376798 CZKOLWVJFFVOKM-GFCCVEGCSA-N 366.414 2.482 0 40 FEAB Clc1ncccc1-c1noc(CN2CCN(C[C@H]3CCCO3)CC2)n1 23247798 QWVVEHPQPBIOEK-CYBMUJFWSA-N 363.849 2.082 0 40 FEAB Oc1nc(CN2CCN(C[C@H]3CCCO3)CC2)nc2cc(Cl)ccc12 96791934 ZJDUUYTYPFOITG-CQSZACIVSA-N 362.861 2.285 0 40 FEAB CCOC(=O)N1CCC(NC(=O)Nc2cnn(Cc3cccnc3)c2)CC1 72309676 MRMYTGQBWOXZJS-UHFFFAOYSA-N 372.429 2.069 0 40 FEAB C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 97203782 UZOJUKOJGTUASH-GFCCVEGCSA-N 374.890 2.015 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccc3c(c2)OCO3)C[C@@H](C)O1 21063546 QLIRZTFMDMNKQS-GASCZTMLSA-N 362.470 2.352 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)c1 25890538 KTLDIRJEYNNYLQ-UHFFFAOYSA-N 372.402 2.145 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2cncnc2)nc1 67872508 WRBVKGTYNNAKDL-INIZCTEOSA-N 362.389 2.451 0 40 FEAB COCCOc1ccccc1CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C 509538725 DZDCGZPDACEKOC-CQSZACIVSA-N 350.459 2.269 0 40 FEAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 36579968 IUTQILASXHKARJ-MEBBXXQBSA-N 362.817 2.282 0 40 FEAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCc1ccccn1 32998069 PVGFJJGURIRRLY-MRXNPFEDSA-N 373.478 2.258 0 40 FEAB CC[C@@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 72397261 KWAUXDRUIIMFQG-FUHWJXTLSA-N 371.529 2.093 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 72353349 ICNVMVVCCSDYAG-INIZCTEOSA-N 367.453 2.371 0 40 FEAB O=C(O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)CC1 575442762 XFBCZXZPQYPTLE-HOMQSWHASA-N 362.245 2.371 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2cccc(C)c2C)c1 223964555 DBMYQMGJXOVDHM-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1cccnc1 43944346 ZNSCWOFSLBTHTR-UHFFFAOYSA-N 351.497 2.334 0 40 FEAB CCn1cc(CN(C)S(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)cn1 575284237 IBSRETUBYLSHRL-UHFFFAOYSA-N 357.819 2.075 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 96106247 ZJHZPQWGZWHQTO-HNNXBMFYSA-N 357.410 2.468 0 40 FEAB CCNC(=O)N1CCC(n2cc(Cn3c(C)nc4ccccc43)nn2)CC1 23231962 APDWPEJSYCNTIE-UHFFFAOYSA-N 367.457 2.351 0 40 FEAB Cc1cccc(C(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)n1 96057562 ZBKIEVPEPFCRMB-KZNAEPCWSA-N 369.421 2.062 0 40 FEAB N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 91301930 MNMPQDIVOLKXTL-NSHDSACASA-N 359.401 2.491 0 40 FEAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c2c1CCCCC2 96223185 ZZUHMGDYBGQHTD-UHFFFAOYSA-N 365.430 2.021 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)cs1 248071402 YKKRZBHNEMOMPR-HNNXBMFYSA-N 359.451 2.437 0 40 FEAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccccc1C)CC2 248170294 VPLDWVXRJTUXGY-GOSISDBHSA-N 366.527 2.115 0 40 FEAB O=C(c1cccc(Cl)c1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247961764 XTIJIKMNNCCBGH-HNNXBMFYSA-N 364.873 2.293 0 40 FEAB NCC(=O)N1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F 257237444 HGMNMVSSYVUVEF-GJZGRUSLSA-N 369.387 2.146 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260918053 KVJPKIBSQBCJES-OLMNPRSZSA-N 372.494 2.027 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc(C5CC5)n4n2)CC3)C1 631489161 RJHWZWUZZMYRJZ-UHFFFAOYSA-N 350.430 2.127 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccc(C)o3)CC2)C1 585102908 HQYUECORJAUCOI-INIZCTEOSA-N 350.459 2.035 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@@H]1C 585097256 HAHIFYVIIXOZIY-AWEZNQCLSA-N 358.442 2.428 0 40 FEAB Cc1ccc(N2CCCN(Cc3ccccc3N3CCOCC3)CC2)nn1 93272177 XXGWILZHKTXAPH-UHFFFAOYSA-N 367.497 2.334 0 40 FEAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC(C)C 5018845 MZUMIEHMBJEXLK-VZUCSPMQSA-N 368.773 2.113 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 14352302 HKGZXIMFKCIJIF-ZDUSSCGKSA-N 351.366 2.271 0 40 FEAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC(C)C)CC1(CCN(C)CC1)O2 19218391 ZFJYDZFOVMNCBA-INIZCTEOSA-N 373.497 2.207 0 40 FEAB O=C1C[C@H](c2cc(=O)[nH]c(NCc3ccccn3)n2)CN1C1CCCCC1 19401967 VMVLULRCARHKEI-AWEZNQCLSA-N 367.453 2.426 0 40 FEAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1 19585037 AWOBJCHRUNJUQG-GOSISDBHSA-N 351.454 2.166 0 40 FEAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 19709224 MMXKTJCVJKZSLP-OAHLLOKOSA-N 365.437 2.190 0 40 FEAB Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)no1 548354606 FSUFJZIGPTUVHF-JSGCOSHPSA-N 352.435 2.433 0 40 FEAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 664736135 DDGPTAHTUXTQQO-KCQAQPDRSA-N 352.456 2.084 0 40 FEAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888914263 QAGZOJZTWADHLZ-KKUMJFAQSA-N 358.438 2.125 0 40 FEAB Fc1cc(F)cc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1889184597 MCZQSHJGGIIQFH-UHFFFAOYSA-N 356.380 2.263 0 40 FEAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Oc2cccnc2)C1 238819285 CFVRWYWAGYYOLA-UHFFFAOYSA-N 374.340 2.432 0 40 FEAB CN(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)S(=O)(=O)C1CC1 2087139489 BJFBCTHKTUAGAE-UHFFFAOYSA-N 363.405 2.493 0 40 FEAB Cn1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)c1=O 1565545264 CMBHQWSJYWBZNV-UHFFFAOYSA-N 366.396 2.156 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)c(C)n23)n(C)c1=O 4250741 WIBWAIWMISILOM-UHFFFAOYSA-N 365.437 2.474 0 40 FEAB O=C(CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12)NC1CCCCC1 16843765 FFJLWROANWBIIM-UHFFFAOYSA-N 373.438 2.219 0 40 FEAB COc1cccc(NC2(C(=O)NC3CC3)CCN(C(=O)C(C)C)CC2)c1 2055750641 LMFLMWSDIVLALR-UHFFFAOYSA-N 359.470 2.403 0 40 FEAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cccnc2)CC1 2055730240 PAUZJVCFZOJINM-UHFFFAOYSA-N 370.428 2.396 0 40 FEAB Cc1cccc(NC(=O)Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)c1 20489084 OGFKREVIWPUAIP-UHFFFAOYSA-N 371.343 2.225 0 40 FEAB CCOCCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21 100825274 BMMCUSRZIUBGGH-MSUUIHNZSA-N 368.480 2.455 0 40 FEAB O=C(NC[C@H](c1cccs1)n1cccn1)[C@H]1COc2ccccc2O1 575612618 BKIJJZVDDHGXBJ-CZUORRHYSA-N 355.419 2.490 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C[C@H](O)c2ccccc2Cl)CC1 40105767 WBQLOTFGUDSQBR-KRWDZBQOSA-N 367.921 2.296 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)CN(C)Cc1cnc(C)s1)OCO2 40149555 LTAZFLVPVHCPBS-UHFFFAOYSA-N 361.423 2.453 0 40 FEAB CN(C)c1ccc(-c2noc(C(=O)NC[C@@H](O)c3ccccc3)n2)cc1 20720374 FOKIWSOCAXFXBH-MRXNPFEDSA-N 352.394 2.266 0 40 FEAB O=C(CNC(=O)c1cccc(Cl)c1)N[C@H]1CCN(Cc2ccccc2)C1 32732056 YTMBOOYJFKAMDL-SFHVURJKSA-N 371.868 2.461 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 9002283 DHEIQQHTXGTAQS-UHFFFAOYSA-N 354.409 2.294 0 40 FEAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n1 23246090 MSKHTGRJFCPQHR-IBGZPJMESA-N 368.481 2.097 0 40 FEAB COc1cc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)ccn1 78671493 WMSDFACTNCWINJ-GOSISDBHSA-N 353.422 2.242 0 40 FEAB CCC[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1 1328713 YWBJCOHEBDEQDR-QGZVFWFLSA-N 374.437 2.183 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H](Cc2cccs2)C(=O)O)c(C)c1 97101859 PZCFWHUAWNMBPA-LBPRGKRZSA-N 369.464 2.287 0 40 FEAB COc1ccc(OCCNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 25263370 XOMIKGBJMJZTMP-UHFFFAOYSA-N 354.410 2.403 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@@H](NCCNC(C)=O)c1ccccc1 57273981 XIOOFVLJGVWDMB-IBGZPJMESA-N 355.438 2.409 0 40 FEAB CC(=O)c1cc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)n(C)c1 57293980 SICJKDDIOUDYHD-LLVKDONJSA-N 363.439 2.090 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC=CO1)c1ccco1 97103220 MGVWILSTXBOTJB-SJORKVTESA-N 354.406 2.430 0 40 FEAB O=C1OCC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@H]12 108138735 CDTBRXKVWYUOED-UFBFGSQYSA-N 350.223 2.320 0 40 FEAB COc1ccc(OC)c(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 25439833 UDOUWXCSTLSTDR-UHFFFAOYSA-N 369.377 2.008 0 40 FEAB CC(C)CCNC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486034 ZUOAVUNYQIVURU-UHFFFAOYSA-N 351.472 2.043 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1 26839667 HLLHPUKZRPCGJQ-CYBMUJFWSA-N 366.508 2.482 0 40 FEAB NC(=O)Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 24488095 CIRVTVDXYXQLJM-UHFFFAOYSA-N 368.368 2.475 0 40 FEAB O=C(NC1CCN(CN2C[C@H](c3cccc(F)c3)CC2=O)CC1)C1CC1 58173020 ARWUVXLWKZZCKP-MRXNPFEDSA-N 359.445 2.090 0 40 FEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 58182228 BQWGZCZLDBNLIN-IBGZPJMESA-N 369.446 2.100 0 40 FEAB C[C@H](C(=O)Nc1nccs1)N1CCC(C(=O)NCc2ccco2)CC1 58182669 WWZKSHSBGVIWBV-GFCCVEGCSA-N 362.455 2.092 0 40 FEAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 9113322 ZVZYCBIQHOMQMK-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB O=C(c1ccc(Cn2cncn2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58393281 BMBTUQXEYCNAGE-RTBURBONSA-N 370.453 2.127 0 40 FEAB COc1ccccc1CN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 108526487 HFLQOXLAPLAQKX-ICSRJNTNSA-N 367.449 2.206 0 40 FEAB Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 3378848 QLDXVWXOTLHNEC-UHFFFAOYSA-N 371.491 2.397 0 40 FEAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 108524350 GQWYZJGXFPOVHF-HNNXBMFYSA-N 372.918 2.403 0 40 FEAB CCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 113932949 SECAXRJZASONHV-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(OCC(N)=O)cc1 29300386 MWLSKVKFRZYGRK-CYBMUJFWSA-N 365.389 2.004 0 40 FEAB C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCc2sccc2C1 29879299 DZROEJGLLSKPIE-GFCCVEGCSA-N 368.462 2.161 0 40 FEAB Cc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)nc2n1 9314545 BSFQYUHTJCVARK-UHFFFAOYSA-N 372.816 2.105 0 40 FEAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13804980 VTTDXXOGGVIDDA-BETUJISGSA-N 359.426 2.311 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1cccs1 14084182 YIMHRCVAAKZDRP-KPZWWZAWSA-N 357.435 2.393 0 40 FEAB Cc1cc(C)n2c(SCC(=O)N3CCc4sccc4C3)nnc2n1 14141671 IFRGHHALMNJZHL-UHFFFAOYSA-N 359.480 2.480 0 40 FEAB Cc1ccc(OCCSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 14199365 DXLXZKQAGCPZMM-ZDUSSCGKSA-N 367.496 2.197 0 40 FEAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 14161109 VHVCYYLDFLHFAQ-QGZVFWFLSA-N 361.467 2.204 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](CCSC)NC(=O)c1ccco1 14113608 IVMQPHUWXXLLMS-CQSZACIVSA-N 362.451 2.456 0 40 FEAB COCCn1cnnc1S[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 6604459 HFOSJYPZLIMRGT-LLVKDONJSA-N 363.443 2.002 0 40 FEAB COc1ccccc1CNC(=O)c1nnn(Cc2cc(C)ccc2C)c1N 4852603 JQECJLBYVLNLKV-UHFFFAOYSA-N 365.437 2.464 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)N(C)C 7501564 JVSINVRBFZDMES-LBPRGKRZSA-N 372.421 2.249 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H]2C=CS(=O)(=O)C2)c(C)c1 16446856 QMLADOGOQZYONO-ZIAGYGMSSA-N 351.424 2.122 0 40 FEAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2OC)cc1 8395107 RYRUBYGESGVGGC-UHFFFAOYSA-N 356.378 2.240 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8628430 KGUGBLQHUHGVRC-CQSZACIVSA-N 367.453 2.403 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccccc2NS(C)(=O)=O)cc1 18263295 HSCJLWHZGUEGEE-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB COC(=O)C1=C(C)O[C@@H](CSc2nnc(-c3ccc(C)cc3)n2N)C1 95444449 OSKNIEZQWJGEFH-CYBMUJFWSA-N 360.439 2.295 0 40 FEAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2cc(F)ccc2O1 95424583 AKFVSYOOFDDOOG-SJLPKXTDSA-N 368.364 2.423 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2F)C1=O 408593420 PNWHGWKNROSOFK-OQLLNIDSSA-N 370.336 2.382 0 40 FEAB CNC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231471 PJLRVNXUHZJXJU-UHFFFAOYSA-N 362.451 2.086 0 40 FEAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709554 TYSNHHHPYCRUDC-UHFFFAOYSA-N 357.410 2.455 0 40 FEAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)s1 409220122 YIMOKXPTRBIPRM-NUBYWOLOSA-N 366.464 2.388 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 408620087 JYBVEVKPUZKBCD-UHFFFAOYSA-N 368.842 2.025 0 40 FEAB CCOc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CCCC1 408698873 SLIAYCGRCBAGTE-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 408705435 FSSGYUSPQQHAMF-UHFFFAOYSA-N 362.407 2.454 0 40 FEAB Cc1cn2nnc(C(=O)Nc3cccc(CCN4CCCC4)c3)c2c(O)n1 1545841366 DVMPOMGFPWSDDQ-UHFFFAOYSA-N 366.425 2.029 0 40 FEAB CC(C)CCNC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71285120 LZIKEYWPBPZEDP-UHFFFAOYSA-N 356.382 2.203 0 40 FEAB CNc1nc2c(s1)[C@H](c1cc(OC)c3c(c1OC)OCO3)CC(=O)N2 66091371 AEMVPRKKJSFAMB-QMMMGPOBSA-N 363.395 2.405 0 40 FEAB CC(C)(C)OC(=O)N[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218000906 FMUNLIWMPFARMS-IUODEOHRSA-N 360.863 2.108 0 40 FEAB Cc1cccc(N(C)C(=O)CSc2nc3ccccc3c(=O)n2N)c1 71327507 FHDZJXIMGBWZBZ-UHFFFAOYSA-N 354.435 2.174 0 40 FEAB Cn1cc(NC(=O)COc2nn(C)c3ccc(Br)cc23)cn1 226754606 YZWJBACMLDLHKJ-UHFFFAOYSA-N 364.203 2.087 0 40 FEAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)OCCO2 224831611 ZQBIYSKGEGSCJN-UHFFFAOYSA-N 363.391 2.402 0 40 FEAB CCOc1ccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224181148 PWFBGOYMARCYFL-UHFFFAOYSA-N 371.441 2.342 0 40 FEAB Cc1cccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44912452 URCDDFNDNJQOGB-GOSISDBHSA-N 374.462 2.229 0 40 FEAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCO 223058129 ZFMJFFXNEPQSHQ-HXUWFJFHSA-N 368.477 2.391 0 40 FEAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)cc1 583622149 SKLYDMNSOPTCTI-ICSRJNTNSA-N 357.454 2.476 0 40 FEAB Cn1nccc1CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257333348 YBFSOLFXDWTHEF-SFTDATJTSA-N 354.498 2.064 0 40 FEAB CN1CCN(C(=O)c2ccnnc2)C[C@H](Cc2cccc3cccnc23)C1 257245285 IOVFRVDICRJHOY-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB Cc1csc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)c1 257320238 VVWWZHVMJQROPT-NSHDSACASA-N 353.469 2.203 0 40 FEAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1F 257250067 JKVVKGPMQXLOSQ-LJQANCHMSA-N 358.417 2.028 0 40 FEAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cccc(Br)c2)C1 643755813 DHTWIYIJJMFXHM-MRXNPFEDSA-N 355.276 2.254 0 40 FEAB O=C(CN1CC[C@@H](c2ccccc2)NC1=O)Nc1cnc2[nH]ncc2c1 1157085724 KYJMFFYZKXCYSP-HNNXBMFYSA-N 350.382 2.053 0 40 FEAB CCc1nn(C)c(CC)c1CN1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1775957096 CGXNQERRLNMELJ-DYVFJYSZSA-N 358.490 2.045 0 40 FEAB O=S(=O)(NCc1nc(C2CCOCC2)no1)c1ccccc1Cl 575609049 XYIWFMVPKYEHIQ-UHFFFAOYSA-N 357.819 2.096 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CCC(O)CC1)C2 585104098 LONILBWYEXVKEL-IBGZPJMESA-N 358.482 2.155 0 40 FEAB CCOC(=O)c1c[nH]c2c(I)cc(F)cc2c1=O 122658315 QNCVKLMASOMFAZ-UHFFFAOYSA-N 361.110 2.449 0 40 FEAB CC(C)CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 14154509 CSSZHUKEPSSESW-UHFFFAOYSA-N 350.843 2.407 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CCC(=O)N1 19589060 MZTMRIVKDLSQLA-XFKSJGNHSA-N 355.482 2.134 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C=C/c3ccccc3)nc2c1 7133301 KDNJWKZXHRSLOA-JXMROGBWSA-N 364.357 2.466 0 40 FEAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 1576105 ABVHKUUPJNVPLM-BPUTZDHNSA-N 362.426 2.403 0 40 FEAB in-vitro Cc1ccnc2nc(C(=O)OCC(=O)Nc3cccc4ccccc34)nn12 3355135 HODKCSMHSYIEDO-UHFFFAOYSA-N 361.361 2.381 0 40 FEAB O=C(COC(=O)c1cc(Cl)ccc1O)NC(=O)NCc1ccccc1 4808568 CCQRGNDIOGGNOJ-UHFFFAOYSA-N 362.769 2.228 0 40 FEAB Cc1nnsc1C(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1 1848741337 NLPMFRPJMXZKKW-UHFFFAOYSA-N 352.851 2.031 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)NC4CCOCC4)CC3)ccc2n1 1888863905 CYVJWKGRQVZZQA-UHFFFAOYSA-N 373.457 2.017 0 40 FEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4ccn5nccc5n4)C[C@H]3C2)nn1 1888897342 HOHHKDJNRVEKFD-GJZGRUSLSA-N 363.469 2.389 0 40 FEAB FC(F)c1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(C2CC2)n1 1888913536 WBITWIIDPSPUSD-UHFFFAOYSA-N 372.383 2.285 0 40 FEAB O=S(=O)(c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)nc1)N1CCOCC1 23654315 DTLARXLPWRXREG-JKSUJKDBSA-N 365.499 2.119 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)ccn1 2037978278 MXUOPQKUSSSILH-MJGOQNOKSA-N 365.433 2.284 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2nccs2)C1 2055751236 YKMHDVDOLAGZEX-IBGZPJMESA-N 374.510 2.352 0 40 FEAB Cc1cc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)n[nH]1 2055751075 FWKUDRJYICFRAF-UHFFFAOYSA-N 353.470 2.397 0 40 FEAB O=C(Cc1c[nH]c2ccccc12)N1CC(c2nc(-c3ncccn3)no2)C1 49482840 CXOYXYLMQNZEAE-UHFFFAOYSA-N 360.377 2.176 0 40 FEAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 779268 LRQXNDMSLIWIIS-UHFFFAOYSA-N 353.451 2.328 0 40 FEAB CS(=O)(=O)c1cccc(OC(=O)c2ccc3c(c2)NC(=O)CS3)c1 40142728 IBTLYENOJBYZAQ-UHFFFAOYSA-N 363.416 2.354 0 40 FEAB COC(=O)c1cnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)s1 32494446 YNMBQECIMKXAAO-VIFPVBQESA-N 363.370 2.060 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)NCCOc1cccc2c1OC(C)(C)C2 32817688 WJPDAWWNVGAZDE-UHFFFAOYSA-N 357.454 2.488 0 40 FEAB CCCNC(=O)NC(=O)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 32911841 XDSTWQOGHSPQBY-ZFWWWQNUSA-N 374.268 2.119 0 40 FEAB O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1nc(Cc2ccccc2)no1 104112706 DFJWTZQDFMKEMA-OAHLLOKOSA-N 362.389 2.403 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccco2)cc1 22978262 ADDRLCRPBBTRKU-UHFFFAOYSA-N 366.439 2.005 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)NCc1ccccc1 104371371 PJPRVAIANQQOMV-DQPIFXJKSA-N 366.417 2.412 0 40 FEAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 4340568 FNYKDVUQEJSHCJ-GFCCVEGCSA-N 354.362 2.210 0 40 FEAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)O1 105874271 HWOHYMHVFQYIDJ-MJBXVCDLSA-N 357.410 2.258 0 40 FEAB CN(C)CC(C)(C)CNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984184 XZDNXAWMSIBQDI-PTNGSMBKSA-N 358.442 2.083 0 40 FEAB CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 6948058 VNLQVZCWVXSOPE-AWEZNQCLSA-N 361.471 2.137 0 40 FEAB O=C(c1cscn1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119272 ROIVYTJEOHVUFP-RYUDHWBXSA-N 352.419 2.083 0 40 FEAB CNC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC)ccc2ccc(OC)cc12 101182894 RFYIHVWIVWJBPC-QGZVFWFLSA-N 371.462 2.396 0 40 FEAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(OC)cc3OC)nc2s1 24810977 FOOQWPSJTDHKFO-UHFFFAOYSA-N 374.466 2.363 0 40 FEAB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 44450461 BCDSQIMJQJLENJ-ZDUSSCGKSA-N 361.405 2.193 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCCC1 58194913 XZJWSBJRSPISAM-VIFPVBQESA-N 368.352 2.134 0 40 FEAB C[C@@H](NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccn1 58167317 ZYYRLJVLYLTTRE-MRXNPFEDSA-N 354.454 2.474 0 40 FEAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2c(C)cccc2C)CCO1 58209755 FCEOMSWETADERS-CQSZACIVSA-N 361.471 2.009 0 40 FEAB COc1ccc(C)cc1C(=O)CSc1nnc(CCC(N)=O)n1C1CC1 58218147 SMLHPXCYKCNTNG-UHFFFAOYSA-N 374.466 2.323 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](C)N1CCC(C)CC1 58229193 OWPCBLHCIPNWQB-HNNXBMFYSA-N 352.500 2.330 0 40 FEAB COc1ccccc1N(CCCC(=O)NCc1ccco1)S(C)(=O)=O 113968171 PGMJALODHRTDMO-UHFFFAOYSA-N 366.439 2.151 0 40 FEAB Cc1cc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)n(C)n1 23135875 QJAIUABOEOUCKC-UHFFFAOYSA-N 370.482 2.342 0 40 FEAB COCCn1cc(NC(=O)N[C@H](c2ccccc2)c2nc(C)no2)cn1 58325926 ROFODAYCVJSAPR-OAHLLOKOSA-N 356.386 2.132 0 40 FEAB COc1ccc(COC[C@@H](O)CNC(=O)COc2ccccc2C)cc1 58312847 NUJAHESTJXUALK-KRWDZBQOSA-N 359.422 2.076 0 40 FEAB C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(OCCn2cccn2)c1 48342344 KSGBFKKAMFNPTQ-OAHLLOKOSA-N 354.414 2.369 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 12814835 PZMICNGADUFVFB-ZDUSSCGKSA-N 367.446 2.498 0 40 FEAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(c2ccccc2)=N1 11114536 FZNDSBCWUNYVRL-UHFFFAOYSA-N 357.797 2.454 0 40 FEAB CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 11779842 OKGQVOGBTWOVKD-UHFFFAOYSA-N 363.487 2.384 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCC[C@@H]2C)c1C 2646231 NLITVJJUFRKYOO-NSHDSACASA-N 350.415 2.366 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 2654868 NVJAWQBHBQTEPV-ZDUSSCGKSA-N 351.453 2.325 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 28255555 QYMWQWNHVCUYLS-LBPRGKRZSA-N 355.369 2.177 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)c2ccccc2OC)CC1 25109677 UNPKOQWNAKZDCI-CQSZACIVSA-N 368.499 2.276 0 40 FEAB C[C@H](NC(=O)NC[C@@H](O)C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 48743565 GENARUJSHZQSJZ-TVQRCGJNSA-N 374.363 2.254 0 40 FEAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 13096436 SMPCXMGSPOYDOL-UHFFFAOYSA-N 357.841 2.419 0 40 FEAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nncn1C 13141531 OPHOSIXHQYGTFV-UHFFFAOYSA-N 370.456 2.105 0 40 FEAB CC(C)C(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@@H]1CCCO1)n2C 13691955 LWGGBCVETSMHQL-KRWDZBQOSA-N 372.469 2.396 0 40 FEAB CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 22246192 CGHQTEDOYXBCFF-SFHVURJKSA-N 360.479 2.445 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 4375099 KBTOROCNNAVOAC-UHFFFAOYSA-N 361.847 2.312 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1nnc2ccccc2c1=O 5267352 GRSNMJKYFJBCLI-KRWDZBQOSA-N 365.393 2.340 0 40 FEAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1C 14233878 QBOYPKDEQXGWMH-UHFFFAOYSA-N 351.428 2.167 0 40 FEAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccco1 4676839 LMJXZHHDZPCOIB-UHFFFAOYSA-N 359.401 2.164 0 40 FEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccccc2)CC1 4858891 ZNTVJVWQDDVFME-QGZVFWFLSA-N 351.454 2.042 0 40 FEAB Cn1nnnc1SCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7735190 ZYAABNNSNFNHID-UHFFFAOYSA-N 356.436 2.467 0 40 FEAB Cc1ccc(C)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 8007111 HFZFSGDYYHSQPS-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2)cc1 8115463 WNGORXWQBKSQPC-UHFFFAOYSA-N 362.451 2.136 0 40 FEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc3ccccc32)c1 8186856 YKBFPKUPQDTLJB-UHFFFAOYSA-N 364.814 2.127 0 40 FEAB COc1cc2[nH]c(O)c(C(=O)Nc3ncccc3C)c(=O)c2cc1OC 18046882 HARWISFGYMRQIA-UHFFFAOYSA-N 355.350 2.207 0 40 FEAB Cc1sc2ncnc(SCC(=O)N3CCC[C@H](C(N)=O)C3)c2c1C 8767808 LQZNOWQYGFIKRM-NSHDSACASA-N 364.496 2.124 0 40 FEAB CN(C[C@H](O)CO)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 95455765 VURCFVFNUAHLHW-HNNXBMFYSA-N 353.438 2.412 0 40 FEAB COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2c2ncon2)c1 95981420 HPWXMRFZKALNCM-GFCCVEGCSA-N 368.187 2.054 0 40 FEAB C[C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)[C@@H]1CNC(=O)OC(C)(C)C 75092432 AQFPKBBUBHAHLN-OWCLPIDISA-N 370.490 2.334 0 40 FEAB CCOC(=O)COc1ccc(OCCSc2nnc(N)s2)cc1 76083543 PXSJGSWRGFKLLE-UHFFFAOYSA-N 355.441 2.233 0 40 FEAB O=C(O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409141521 IFRHHELOYOTFCS-MDWZMJQESA-N 372.358 2.296 0 40 FEAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217521358 VHWUQCPKGVSWQP-GFCCVEGCSA-N 358.460 2.156 0 40 FEAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4nonc4C)CC3)c2c1 32091839 ZJWYHHFCNDTBRW-GOSISDBHSA-N 369.425 2.111 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(CN)C(=O)O)cc1 218627642 ANFAEMZBMOTOPN-LZLYRXPVSA-N 363.410 2.104 0 40 FEAB NS(=O)(=O)c1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1 32818943 BUPZCJDMCLGQOM-UHFFFAOYSA-N 350.465 2.204 0 40 FEAB Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72354364 MODBMFRQTBEDTL-OAHLLOKOSA-N 354.458 2.191 0 40 FEAB CN(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 38261223 NUMDEYQLSDIROG-QGZVFWFLSA-N 374.485 2.282 0 40 FEAB COc1cc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc(OC)c1 36357201 WLDICTGSMICPNT-UHFFFAOYSA-N 371.422 2.482 0 40 FEAB CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(COC)s3)cc2C1=O 31808150 LIMKFTCZKKRACG-VIFPVBQESA-N 374.422 2.331 0 40 FEAB C[C@@H]1C[C@@H](O)[C@@]23CO[C@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 31157132 FPNYZEUDIBOJQA-ZUSSQXFJSA-N 362.422 2.406 0 40 FEAB biogenic,in-vitro CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 72394371 RVECWGIETMACCR-UHFFFAOYSA-N 368.437 2.134 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 40074043 UWZREAVRQHPBSC-NSHDSACASA-N 351.834 2.272 0 40 FEAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)n1 225398708 OBQQNKHLUYNPLB-CYBMUJFWSA-N 369.450 2.446 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCC(Nc2ncccc2F)CC1 84486427 UOPCVZJSLVBNNG-KRWDZBQOSA-N 357.385 2.464 0 40 FEAB COc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 225946350 XXWPOEQSQBCWKS-MRXNPFEDSA-N 366.414 2.453 0 40 FEAB CN(C)CC(=O)N1CCc2sc(C(=O)NCc3cccc(F)c3)cc21 96264518 ZIOOXANCVUFTIL-UHFFFAOYSA-N 361.442 2.268 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](Oc1ncccc1F)CO2 96107038 JCLSXLNGPLMOOZ-AWEZNQCLSA-N 359.401 2.402 0 40 FEAB Cn1ccnc1CN1CCOC[C@]2(C[C@H](CNc3ccccc3)CO2)C1 96240413 OWJVHMMTWBUSTI-XLIONFOSSA-N 356.470 2.140 0 40 FEAB COc1cccc(C(=O)N2C[C@H](C(=O)NC(C)C)C3(CCOCC3)C2)c1 96240786 FTKKYTYNONPJPI-QGZVFWFLSA-N 360.454 2.089 0 40 FEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)OCCS3)C(=O)C2 96120482 KQAICMLBJSJTMI-CZUORRHYSA-N 373.540 2.267 0 40 FEAB O=C(CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1)N1CCCCC1 257254882 KFCWNNCBCIXFNR-ROUUACIJSA-N 350.434 2.042 0 40 FEAB COc1cccc(Cc2cccc([C@H]3CN(C(=O)CN(C)C)CCO3)n2)c1 257222537 DTRHAAVVUMUKGM-HXUWFJFHSA-N 369.465 2.143 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257296400 RCQCNLABMDMCAC-MRXNPFEDSA-N 356.426 2.228 0 40 FEAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc2nsnc2c1 253400299 LDJCNMOHLQCOBG-INIZCTEOSA-N 350.407 2.454 0 40 FEAB COc1ccccc1CN(C)[C@H]1[C@H](N)C[C@@H](Oc2ccccc2F)[C@@H]1O 257341115 ZIWNLDYXMZBCKI-XCLNPWKQSA-N 360.429 2.174 0 40 FEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCc1ccccn1 1772500838 MSIIOMDQPJJYBP-UHFFFAOYSA-N 365.433 2.293 0 40 FEAB O=C(CCCc1nnc2ccc(Cl)nn12)N[C@H](C(=O)O)c1ccccc1 1775968457 HVWVSXOGNGYXHB-INIZCTEOSA-N 373.800 2.043 0 40 FEAB Cc1noc(CN2CCC(COc3ncc(Br)cn3)CC2)n1 1775995907 MVSSBHQTTCWXJX-UHFFFAOYSA-N 368.235 2.222 0 40 FEAB C=CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 1776002208 XHMZPQQLAGCMRN-APPDUMDISA-N 368.836 2.442 0 40 FEAB COc1ccccc1OCC(=O)N1CC[C@@H](Oc2nc(C)cc(C)n2)C1 390829048 WEULEZYQEQDGGP-OAHLLOKOSA-N 357.410 2.161 0 40 FEAB Cc1cnc([C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C2CC2)s1 664221709 GONQAUWZMVBWCL-CYZMBNFOSA-N 357.501 2.168 0 40 FEAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cn3nc(C)cc3C)C2)cc1 585272790 QUOXRBSYJHSCDX-FQEVSTJZSA-N 357.454 2.241 0 40 FEAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1C 75166219 TUHGPYRUXWVMJR-INIZCTEOSA-N 369.469 2.251 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-n3cccn3)cc1)C2=O 14701152 MDSLYFHBSPAAMX-UHFFFAOYSA-N 367.409 2.018 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccoc3)ccc21 16158619 MEOSSRGRRWKFDR-UHFFFAOYSA-N 363.391 2.032 0 40 FEAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2 19017223 FEHLMPOVRXBJRE-IBGZPJMESA-N 364.449 2.287 0 40 FEAB Cc1nc(C2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)c2sccn12 19240795 DGJIGGGFJKHBPO-LBPRGKRZSA-N 358.471 2.338 0 40 FEAB O=c1c(CN2C[C@@H]3CCCN3C[C@@H]2CCO)coc2ccc(Cl)cc12 19345964 BYJHPQROYMJSIS-HOTGVXAUSA-N 362.857 2.477 0 40 FEAB O=C(CCCN1C(=O)CCC1=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19375772 RXGKFPKHBMCVCH-CQSZACIVSA-N 368.437 2.198 0 40 FEAB C[C@H](CC(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1)n1cccn1 19455371 MVTKYVNRLAWGNE-QAPCUYQASA-N 368.485 2.366 0 40 FEAB CCc1cc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)n(C)n1 19522145 LRUDFIMYYOOVTF-UHFFFAOYSA-N 365.437 2.239 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 19934608 CHGXZGBXJKLUFZ-NSHDSACASA-N 366.414 2.233 0 40 FEAB C[C@H]1CN(CC(=O)Nc2cccc(I)c2)C[C@H](C)O1 21821926 KUDGIQBHOCMLON-QWRGUYRKSA-N 374.222 2.339 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1 676457170 VGSMKCSYOTZJMQ-GBESFXJTSA-N 370.474 2.395 0 40 FEAB Cc1nc(C(=O)N2CCN(c3nc(O)c(F)c(C(C)C)n3)CC2)cs1 1888844266 NRLNHMFLUCLKCK-UHFFFAOYSA-N 365.434 2.172 0 40 FEAB CCOCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888855708 AIXGAIWWAOECJA-IRXDYDNUSA-N 352.438 2.075 0 40 FEAB Cc1cc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)nc(C2CC2)n1 1888860459 JYTJGMPAQKHCKQ-UHFFFAOYSA-N 353.474 2.153 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2cc(-c3cccnc3)nn2C)cc1 245174470 YNZSXBYTMRNPMW-UHFFFAOYSA-N 350.378 2.199 0 40 FEAB O=C(c1cn[nH]c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087138888 PRSGMTRQAOWHBA-GXFFZTMASA-N 351.332 2.174 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)cnc21 4166230 JZRINKGNTHIRAL-UHFFFAOYSA-N 361.352 2.265 0 40 FEAB Cc1cccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)n1 16849614 IOFCXBOMDJCOFC-UHFFFAOYSA-N 366.425 2.156 0 40 FEAB O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(C1CCCC1)CN2 19939422 HEHKGVZWRYYQRY-UHFFFAOYSA-N 360.845 2.366 0 40 FEAB CN1CCN([C@H](CNC(=O)C2CCCCC2)c2ccc3c(c2)OCO3)CC1 22577249 RKGPRZVZHOXWHU-GOSISDBHSA-N 373.497 2.400 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(O)c2ccc(Cl)cc2n1 24045319 YWPARXQZIUJLGC-INIZCTEOSA-N 368.824 2.401 0 40 FEAB CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 40033555 PVTZWHOTLGXEJV-CQSZACIVSA-N 366.414 2.059 0 40 FEAB COc1ccccc1OCCNC(=O)c1cc(C)nc2c1c(C)nn2C 31246691 YWFGXJZTURVSEW-UHFFFAOYSA-N 354.410 2.403 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 20491580 ATMGSNWPYUREDY-HNNXBMFYSA-N 368.361 2.131 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2NC1=O 32421430 VCJKGIJVBPNTLK-LBPRGKRZSA-N 367.409 2.051 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1F 32973883 NYCZOPHODPXYQL-UHFFFAOYSA-N 354.403 2.379 0 40 FEAB Cc1c(C(=O)N(C)C[C@H](O)CN2CCOCC2)sc2ccc(F)cc12 82985409 XUHJNYVLBDILIH-AWEZNQCLSA-N 366.458 2.114 0 40 FEAB Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1 932406 RNZKADUQXCJGHE-UHFFFAOYSA-N 369.406 2.430 0 40 FEAB CC1(C)N=C(N)N=C(N)N1c1cccc(CC(=O)Nc2ccccc2)c1 1723221 JXPRDUBHFIPHBZ-UHFFFAOYSA-N 350.426 2.053 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccncc2)CC1 23718925 NPAXITDINKISPP-UHFFFAOYSA-N 351.859 2.242 0 40 FEAB CCCCNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3319317 ACDQDAIIVVQRBA-UHFFFAOYSA-N 361.225 2.183 0 40 FEAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4487860 CYQBIBRVAZRZGH-SGPHBRAGSA-N 367.373 2.161 0 40 FEAB CC(=O)NCc1ccc(C(=O)COC(=O)c2cn3c(C)cccc3n2)s1 24839800 DBUBQILVZBASRT-UHFFFAOYSA-N 371.418 2.380 0 40 FEAB COc1ccc(COC[C@@H](O)CSc2cccc[n+]2[O-])cc1OC 24827387 VFUBXRDKBZVKIV-CQSZACIVSA-N 351.424 2.007 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(O[C@@H](C)CC)c1 6462643 ARRGTAALRWMSDH-NSHDSACASA-N 362.459 2.387 0 40 FEAB CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc2c(c1)OCCCO2 12544624 ZKNSIVFAGAGVKX-UHFFFAOYSA-N 373.381 2.260 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 3271775 YVSALVLRJZUJKE-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(O)c1 9262208 PXBBMXBIVDXEPI-HZPDHXFCSA-N 351.362 2.463 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2ccccc2Cl)CC1 35946796 WEALJAGIKPYJHH-UHFFFAOYSA-N 361.877 2.451 0 40 FEAB CC1=NN(c2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2)CC1 48234574 XZYINTNQURKJCX-UHFFFAOYSA-N 361.409 2.178 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1ccccc1O 44821474 NBNLWFMBBYDLHQ-AWEZNQCLSA-N 354.362 2.364 0 40 FEAB CCOC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 58341117 DNARQBXOVLQOCS-CYBMUJFWSA-N 362.455 2.148 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2cccnc2S)N2CCOCC2)cc1 12731618 XWOXHMLQWOAYRD-QGZVFWFLSA-N 373.478 2.182 0 40 FEAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 3412240 XWVYXHXEYNGYRJ-UHFFFAOYSA-N 356.378 2.045 0 40 FEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)O)CC2)cc1 3443680 LGMCGWLSDVQJAE-HUUCEWRRSA-N 368.499 2.370 0 40 FEAB CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)n1 2792667 DHJNTIDLJKUAMF-UHFFFAOYSA-N 363.418 2.396 0 40 FEAB O=C(NC1CCN(c2ccccn2)CC1)N1CCN(c2nccs2)CC1 46943158 YTGOCQYXSXPWRH-UHFFFAOYSA-N 372.498 2.039 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 3595767 HLVMUALABYTKFR-BUXKBTBVSA-N 357.410 2.328 0 40 FEAB O=C(NCCc1ccc(Cl)s1)N1CCN(c2cnccn2)CC1 47143508 RFIYXLLCYXNZSP-UHFFFAOYSA-N 351.863 2.266 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2C)c1C 13297382 WGZAIUVJAOWDQM-GFCCVEGCSA-N 361.398 2.278 0 40 FEAB CC1=NN(CCC(C)C)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 4316656 YOVPVZVZKUBIPJ-UHFFFAOYSA-N 374.489 2.185 0 40 FEAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1 4661316 YKSIULRLUCEKBV-UHFFFAOYSA-N 363.222 2.497 0 40 FEAB COc1cc(CN(C)CC(C)(C)CN)ccc1OCC(=O)N1CCCC1 97102807 LGNGBKBOJAFUNM-UHFFFAOYSA-N 363.502 2.113 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1 6913591 VNIIBUZXBONRBT-UHFFFAOYSA-N 371.216 2.047 0 40 FEAB O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1cnccn1 4985355 QCFYQAUSSVXTFB-UHFFFAOYSA-N 353.209 2.333 0 40 FEAB Cc1n[nH]c2nc3c(c(-c4ccc(Cl)cc4)c12)c(=O)n(C)c(=O)n3C 72332777 BBIHTXVJJOVHKS-UHFFFAOYSA-N 355.785 2.137 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCOc1ccc(F)cc1 16173753 PDXBXRXRRYAVRB-UHFFFAOYSA-N 371.416 2.350 0 40 FEAB Nc1nc(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)n[nH]1 7897232 IAJUKZSQSHXXSC-JTQLQIEISA-N 374.495 2.495 0 40 FEAB CC(=O)NCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1 8075217 JKJKMAPWYLXHCV-UHFFFAOYSA-N 365.484 2.461 0 40 FEAB Cn1c(=O)n(C)c2cc(-c3nc4sc5c(c4c(=O)[nH]3)CCC5)ccc21 17029126 AWQPFKROWVUBCP-UHFFFAOYSA-N 352.419 2.331 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 19134770 UDMZIZQOKPBLNY-YESZJQIVSA-N 356.422 2.275 0 40 FEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 19169747 BRXKNXSYHGLEKD-UHFFFAOYSA-N 358.463 2.112 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2cccnc2)C1 97082825 AJAMVIUHAJIDJE-GFCCVEGCSA-N 373.356 2.337 0 40 FEAB C[C@@H](C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1 89420155 KFCSUMDOQBLCJL-LBPRGKRZSA-N 355.431 2.087 0 40 FEAB CNC(=O)C1(NCC(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 75105616 XIVPNALQTKFYNL-UHFFFAOYSA-N 355.385 2.265 0 40 FEAB COC(=O)C1(N(C)CCS(=O)(=O)c2cc(C)ccc2C)CCCC1 89623975 KXTMXARFPZANSU-UHFFFAOYSA-N 353.484 2.495 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(C)C)C2)cc1 25976327 LMPRZNLROYOGNI-GJZGRUSLSA-N 368.499 2.257 0 40 FEAB NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCc3sccc32)cc1 545957587 FYDVDQBMODCMEE-AWEZNQCLSA-N 350.465 2.132 0 40 FEAB COCCN1C(=O)S/C(=C\c2ccc(OC(C)=O)c(OC)c2)C1=O 409312569 MGLKPMJJCWPOEA-ZROIWOOFSA-N 351.380 2.303 0 40 FEAB Cc1ccn(-c2ccccc2CNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)n1 556574736 ZNNYIQNORXHSFR-PSBWJHGTSA-N 350.422 2.276 0 40 FEAB COc1ccc(C(=O)NC(=O)CSc2nnc(SC)s2)cc1 36817881 PPTYRPNIUVYHPG-UHFFFAOYSA-N 355.466 2.317 0 40 FEAB CN(Cc1ccccc1)C(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38832928 SRXAJARGOYRXBE-GOSISDBHSA-N 374.462 2.262 0 40 FEAB COCCn1c(C(=O)NCCc2ccccc2)nc2ccccc2c1=O 32092728 AIWYBPNKUIIBIB-UHFFFAOYSA-N 351.406 2.015 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 306129750 ILQSNCWFNJGINY-IRXDYDNUSA-N 374.448 2.230 0 40 FEAB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@H]23)C[C@@H](C)O1 36369527 AGRFRTKLCPEWTJ-RVQWPIJOSA-N 363.498 2.381 0 40 FEAB COC(=O)C1=C(C)N[C@@H](c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 31816556 UGZHJKWYIZILBA-KRWDZBQOSA-N 361.394 2.285 0 40 FEAB CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2)s1 35291015 GSEJPARFPUZMGL-CYBMUJFWSA-N 359.455 2.413 0 40 FEAB Cn1cc(-c2ccccc2CNC(=O)N2CC[C@@H](n3cccn3)C2)cn1 564765328 HTKCZYJBDOAAQD-QGZVFWFLSA-N 350.426 2.440 0 40 FEAB COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O 42979808 CSBNARACKKPFQO-IBGZPJMESA-N 361.442 2.010 0 40 FEAB CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 568843840 PXFNGYUCFXYBGP-LMMKCTJWSA-N 358.486 2.130 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(N)s2)ncc1Br 46084907 SGLSVJHGTRXPGE-UHFFFAOYSA-N 360.262 2.317 0 40 FEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H](C)C2)c1=O 44840478 ZZMFOJGRFMNWIB-HUUCEWRRSA-N 357.454 2.393 0 40 FEAB O=c1c2ccncc2ncn1C[C@@H]1CN(Cc2ccccc2)CCCO1 571809785 ANRFDDFDUNGBLP-KRWDZBQOSA-N 350.422 2.083 0 40 FEAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 44839064 XJKKFQHXZVTGRA-HNNXBMFYSA-N 353.488 2.014 0 40 FEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225504982 MJZNGRFRFIYOEG-KONPQCLYSA-N 362.495 2.392 0 40 FEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1ccncc1 95473796 YCJJWEMVZWAICA-INIZCTEOSA-N 370.844 2.254 0 40 FEAB C[C@H](CNC(=O)Nc1ccc(C2CC2)nn1)N1CCc2sccc2C1 333204204 OGJXBCACIJTHJJ-GFCCVEGCSA-N 357.483 2.984 0 40 FEAB CCN1C[C@]2(CC1=O)CN(Cc1cccs1)CCN(C(=O)C(C)C)C2 97952786 DBACVCVOUMMMTP-IBGZPJMESA-N 363.527 2.287 0 40 FEAB COC(=O)CCC(=O)N1CCC2(CN(Cc3cccc(Cl)c3)C2)C1 96202431 ZNBMZBMREAFDGS-UHFFFAOYSA-N 350.846 2.328 0 40 FEAB Cc1cc(C(=O)N2CC3(CC[C@@H](CN(C)Cc4ccco4)CO3)C2)on1 248153252 YITZLONHCGKYAJ-HNNXBMFYSA-N 359.426 2.329 0 40 FEAB C[C@H](Sc1nc(CC(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)cs1)C(N)=O 1631035841 DQAGPISIKHGZAE-WEDXCCLWSA-N 365.484 2.137 0 40 FEAB O=C(Cc1ccc(-n2ccnc2)cc1)N1CCN(Cc2cscn2)CC1 630810524 FPZVPARDNIQHMY-UHFFFAOYSA-N 367.478 2.216 0 40 FEAB Cc1nc2cc(CNC(=O)[C@@H](C)CN3CCOCC3)ccc2n1C1CC1 294171589 CKAUNBXLQPCQAU-AWEZNQCLSA-N 356.470 2.264 0 40 FEAB C[C@@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 585104063 IJJQGTCMGCUXOO-JXFKEZNVSA-N 352.438 2.293 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCCCC1 585286006 GNCXHJBDVAIHQF-HXUWFJFHSA-N 367.461 2.353 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 60239965 LHJMIXCPAMEMMP-AWEZNQCLSA-N 374.416 2.183 0 40 FEAB CS(=O)(=O)C1(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)CCCC1 85476040 KXCLGYVVPRXAJS-UHFFFAOYSA-N 357.422 2.323 0 40 FEAB Cc1nc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)c2cnn(C)c2n1 663563454 HZJARNBAJYCGAR-UHFFFAOYSA-N 366.473 2.086 0 40 FEAB CCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1N 5555112 JCNQLSFZMMTPCP-UHFFFAOYSA-N 356.249 2.048 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N(C)N(C)c2ncccc21 12117727 QTEVYZXMVGKWBP-ZDUSSCGKSA-N 351.410 2.282 0 40 FEAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccn(C)n1 12220320 LKZPOGBBVSHVMZ-OAHLLOKOSA-N 371.466 2.160 0 40 FEAB COc1ccc(CN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12231441 LRGODFSZNLBNHB-UWJYYQICSA-N 365.433 2.268 0 40 FEAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 15674489 YZEIEFXSHFPYKB-UHFFFAOYSA-N 366.468 2.211 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C)CC1 16609145 QDTFIUZNFBCHPA-UHFFFAOYSA-N 374.890 2.228 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1OC 16681788 IFWXQJDMBJBRDO-UHFFFAOYSA-N 354.472 2.446 0 40 FEAB COc1ccc(CCNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 17154858 WSANYYZORKGWSQ-UHFFFAOYSA-N 366.417 2.349 0 40 FEAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)COc2ccccc2OC)n1 19522536 VNUOONYURUGPMM-AWEZNQCLSA-N 357.410 2.083 0 40 FEAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)CCc2nc(C)no2)cc1 19665213 GOBJHAJBFSJGLZ-IBGZPJMESA-N 367.409 2.217 0 40 FEAB CC(C)c1ncc(CN2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cn1 19696857 NJSJKAGURUUIMV-QGZVFWFLSA-N 353.470 2.128 0 40 FEAB Cc1nc(N)cc(CC2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 19758463 SBEAPRIRFZJOQI-UHFFFAOYSA-N 357.433 2.400 0 40 FEAB O=C(NC[C@@H](CO)Cc1ccccc1)c1nscc1Br 651357301 RSOLTXKCAQLHAV-NSHDSACASA-N 355.257 2.487 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)s1 575608091 LSSBUHXPIXWIGX-UHFFFAOYSA-N 364.496 2.235 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4cc(C)nc5ccnn45)C[C@H]3C2)c1F 1888897586 HGIUANCFLZASQA-KBPBESRZSA-N 367.432 2.102 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4374121 SFXJUFSEDGODOD-MRXNPFEDSA-N 371.412 2.482 0 40 FEAB Cc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2s1 4303487 ZURJTUQTHHUKKK-UHFFFAOYSA-N 372.425 2.166 0 40 FEAB CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)CCc1ccccc1F)C2 2055782048 CUZOQHZECMTWKO-YLJYHZDGSA-N 362.445 2.291 0 40 FEAB COc1cccc([C@@H](CNC(=O)COc2ccccc2)N2CCOCC2)c1 23105948 PYWAIOSQZPOVOI-HXUWFJFHSA-N 370.449 2.264 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1 23127408 VZQTYSAMTQAGIN-UHFFFAOYSA-N 359.470 2.405 0 40 FEAB O=C1CSc2sc3c(=O)n(Cc4ccc5c(c4)OCO5)cnc3c2N1 27562754 PDWUYTWICZWWJZ-UHFFFAOYSA-N 373.415 2.279 0 40 FEAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ccccc2F)CC1 225707290 LWSYSQFTUUJCFN-INIZCTEOSA-N 371.412 2.351 0 40 FEAB O=C(Nc1cc(-c2cccs2)nn1CCO)[C@H]1COc2ccccc2O1 42384582 RJDHEVKYRXGZNK-OAHLLOKOSA-N 371.418 2.382 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[C@@H]1c1ccccc1 121907422 REZBKXLWJJWOSH-QRKMNUTDSA-N 356.466 2.360 0 40 FEAB biogenic COc1cccc(CO[C@H](C)C(=O)NCc2ccc(-n3cccn3)nc2)c1 40093369 AVPOROXCXIFHFK-OAHLLOKOSA-N 366.421 2.497 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(C(=O)O)cnn2C)CC1 20614511 FSILKHSSSZLQAU-UHFFFAOYSA-N 362.817 2.043 0 40 FEAB CN(C)Cc1ccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 33221116 SQAAIRCULXASCN-UHFFFAOYSA-N 367.409 2.323 0 40 FEAB CC(C)(O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 103168427 RZCPMFGMDFFQDF-UHFFFAOYSA-N 367.298 2.071 0 40 FEAB CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 854239 HRCVQBCIZRAPLS-UHFFFAOYSA-N 350.448 2.233 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(=O)[nH]cnc21 12413712 BFEINOCSJGXGAH-UHFFFAOYSA-N 365.365 2.149 0 40 FEAB biogenic,in-vitro C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(O)cc1 61721805 LZSFSDKPLDTEJC-HNNXBMFYSA-N 368.437 2.251 0 40 FEAB CC[C@H](C(=O)Nc1nnc(C(C)C)s1)n1nnc2ccccc2c1=O 9025716 GIEKDSRFEVLEHS-GFCCVEGCSA-N 358.427 2.356 0 40 FEAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 715597 LXPLGDPTTCGRDV-UHFFFAOYSA-N 373.627 2.442 0 40 FEAB Cc1cc2ncn(CC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2cc1C 78390027 HMZXIXIOWSSOEF-QGZVFWFLSA-N 358.486 2.126 0 40 FEAB O=C(C[C@H]1Sc2ncnn2C1=O)Nc1ccc(Br)cc1 959014 QSVDRGTXPDNZQZ-SECBINFHSA-N 353.201 2.184 0 40 FEAB aggregator Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCNC(=O)C1 23420838 MYHVXJXRIMQCTN-UHFFFAOYSA-N 374.238 2.392 0 40 FEAB Cn1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cn1 2804341 LTLKEXMGQZWCIK-UHFFFAOYSA-N 351.819 2.119 0 40 FEAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 4304835 MYIWWJLJNOCYAU-UHFFFAOYSA-N 369.446 2.419 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 10679456 OGBROHABBLYYEO-UHFFFAOYSA-N 362.426 2.409 0 40 FEAB CCn1ccnc1CN1CCN(CC(=O)N[C@H](C)c2ccccc2)C[C@@H]1C 107049057 YMAIVJOAMCYFBJ-ZWKOTPCHSA-N 369.513 2.287 0 40 FEAB COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c(OC)c1 8115262 NKCCTAFTWKYVDF-UHFFFAOYSA-N 370.471 2.237 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)no1 8433855 CXOSWVGUEFQZNJ-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB O=C([C@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1)N1CCOCC1 108057071 BDBDPFAYWDBJTF-IUVQAAGXSA-N 370.449 2.076 0 40 FEAB CC(C)CCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426631 SEEMYCYXJPMJFP-UHFFFAOYSA-N 365.499 2.433 0 40 FEAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)N1CCOCC1 1994412 FSMSRKWFVXELHD-UHFFFAOYSA-N 355.346 2.291 0 40 FEAB Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)s1 57993584 VREHZMFHFZEGES-UONOGXRCSA-N 357.497 2.173 0 40 FEAB CC(=O)c1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)nc1C 95450923 XBRUJZVRMSBECP-FQEVSTJZSA-N 352.390 2.381 0 40 FEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2O)CC1 26524551 DNVLMOIMCQKCPX-UHFFFAOYSA-N 365.433 2.481 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1ccccc1F 113966023 QFBYEEUBMFJRGD-UHFFFAOYSA-N 354.403 2.281 0 40 FEAB Cc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)o1 58225031 WJCQOSPRSUECQN-DHZHZOJOSA-N 360.435 2.358 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 58293613 CEAKOOQTKAYTLR-ZIAGYGMSSA-N 353.260 2.489 0 40 FEAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc2c(c1)OCO2 54253728 HUQKXDBLMQXDGZ-MRXNPFEDSA-N 368.389 2.172 0 40 FEAB C[S@@](=O)c1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 12744086 CCGJQFWCZFAIIS-VWLOTQADSA-N 356.491 2.425 0 40 FEAB NC(=O)c1ccsc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 58345448 KWNVCAGHFGRCIR-UHFFFAOYSA-N 357.435 2.280 0 40 FEAB COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 3382734 HEKCIXZTRPKKDZ-UHFFFAOYSA-N 365.407 2.368 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082277 MELPLCAVHISQKD-AJDFSKMUSA-N 354.381 2.206 0 40 FEAB CCOc1ccc(-n2ncc(C(=O)OCc3c(C)noc3C)c2C)nn1 23571101 DQTQINHSAWJUFV-UHFFFAOYSA-N 357.370 2.331 0 40 FEAB O=C(CN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1)Nc1cccc(F)c1 12809678 CGRMSRWSUMNHGD-ZDUSSCGKSA-N 374.243 2.102 0 40 FEAB Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)n1-c1ncn[nH]1 45816904 JHIIWEQTCNCYAP-UHFFFAOYSA-N 358.427 2.330 0 40 FEAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(N)=O 3499976 DHIJALBVPNOHGB-VIFPVBQESA-N 372.764 2.171 0 40 FEAB Cn1nc(C(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2c1=O 3563880 QAOYSXLHFWNCPX-UHFFFAOYSA-N 362.389 2.078 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3C(=O)O)ccc21 12990853 PGPLMHGANPEJSR-UHFFFAOYSA-N 374.418 2.349 0 40 FEAB Cc1cccc(OCCCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 96009241 XXMKSVITLOEHIO-IAGOWNOFSA-N 358.438 2.055 0 40 FEAB Cc1cc(O)c2c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc2c1 5209013 FGDHDCZMLZOMKS-UHFFFAOYSA-N 355.394 2.061 0 40 FEAB O=C(COc1ccccc1O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14188273 YFNGMUAMGSYICH-UHFFFAOYSA-N 367.405 2.278 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1OC 25417749 LPWYELIYOMBQLD-KRWDZBQOSA-N 357.406 2.147 0 40 FEAB C[C@@H]1CN(CN2C(=O)C(=O)c3c(Br)cccc32)C[C@@H](C)O1 14201149 BMSGDBRIJCEWRX-NXEZZACHSA-N 353.216 2.045 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 408548553 IPYNXRIKCKKEGM-OQLLNIDSSA-N 368.345 2.215 0 40 FEAB C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 5633592 YZVHDGCFHFVNSM-GFCCVEGCSA-N 359.353 2.345 0 40 FEAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnn[nH]2)c1 9447946 NSZQIVQFTDSDTB-UHFFFAOYSA-N 364.365 2.194 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2c(s1)CCCC2 6967172 DPRQQIZYDLNSCC-UHFFFAOYSA-N 359.407 2.119 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CCCC1 6984079 KUQVCJDNCISMMD-HNNXBMFYSA-N 353.488 2.008 0 40 FEAB CC[C@H]1CCCCN1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 7425904 IJRRSZXKAJGZCD-HNNXBMFYSA-N 365.437 2.373 0 40 FEAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(C(F)(F)F)c1 7423069 QBXMJCMYPVRQAW-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3nccs3)c2)C1=O 15858681 PNNGSDJDOPFAQY-UHFFFAOYSA-N 365.436 2.098 0 40 FEAB COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@@H](C)C(N)=O 8344730 XYDJMNLVSHYWTN-QWRGUYRKSA-N 368.434 2.170 0 40 FEAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CNC(N)=O)cc1 95957156 NQERGUACFQJULX-UHFFFAOYSA-N 363.421 2.279 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 8660615 NOXZMIXFSZCFNU-UHFFFAOYSA-N 373.434 2.347 0 40 FEAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc2c1OCCO2 69946750 GHBOPHXTVLPVGL-LBPRGKRZSA-N 359.382 2.178 0 40 FEAB C[C@H]1CCCN1CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 97163856 VRPOGYMMCDCTLE-HNNXBMFYSA-N 368.481 2.337 0 40 FEAB COc1cc(C(=O)NCCc2nc(N)no2)ccc1OCc1ccccc1 72311503 OXOCDNSBORIQRK-UHFFFAOYSA-N 368.393 2.212 0 40 FEAB C[C@@H](C(=O)O)N(C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 89598254 HAWXVHDLUXCUJF-ZETCQYMHSA-N 363.727 2.239 0 40 FEAB O=C(C[C@@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CC(F)(F)C1 306131105 JWQMFWAXYOMWNT-QGZVFWFLSA-N 360.408 2.350 0 40 FEAB O=C(c1ccncc1)N1CC[C@@H](c2nnn3cc(N4CCCC4)ccc23)C1 306134991 ODZIZANEOJMPKN-MRXNPFEDSA-N 362.437 2.354 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1Cl 408596321 SAWDMHXHVJAMHJ-SNVBAGLBSA-N 362.879 2.320 0 40 FEAB O[C@@H](COCc1ccc2c(c1)OCO2)Cn1nccc1-c1ccncc1 152347810 CCANRXPDYYFPRU-MRXNPFEDSA-N 353.378 2.252 0 40 FEAB N[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218061714 AMKRFJXITVXSSX-YCPHGPKFSA-N 351.811 2.062 0 40 FEAB COc1ccccc1OCc1cn(CC(=O)NCc2ccc(F)cc2)nn1 227167462 ZVXFCTYEGFTJBS-UHFFFAOYSA-N 370.384 2.321 0 40 FEAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc2c(c1)OCO2 224352552 BSDPMUJAIAZZJJ-UHFFFAOYSA-N 355.398 2.124 0 40 FEAB Cc1noc(C)c1COc1ccccc1C(=O)NCCCS(C)(=O)=O 47697077 XAXBIWKGCBPOQD-UHFFFAOYSA-N 366.439 2.035 0 40 FEAB O=C(NCc1cccnc1)c1ccc2c(c1)[nH]c(=O)n2Cc1cccnc1 96361343 MCJDQPQNSYPJJR-UHFFFAOYSA-N 359.389 2.098 0 40 FEAB COc1cccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c1 583619641 RWJRTNCVJPPLNG-OXJNMPFZSA-N 356.470 2.171 0 40 FEAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@@H](C)Cc2cccs2)CC1 583623059 HBTVURKGWKFAJK-ZFWWWQNUSA-N 366.483 2.241 0 40 FEAB CCc1noc(C2(NC(=O)C(F)(F)C3(O)CCCCC3)CCOCC2)n1 585114039 VYXHKBYHFRMMQB-UHFFFAOYSA-N 373.400 2.084 0 40 FEAB O=C(O)c1cccc(CS(=O)(=O)N2CCC[C@@H]2C2CCOCC2)c1 582484462 KZLNFRSSEQXTKC-MRXNPFEDSA-N 353.440 2.106 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)ncc2C1 247918787 GMYYOBGPTURMBG-JFRXWTBNSA-N 368.481 2.481 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 248050279 WZRLHSRCRWJNFD-MRXNPFEDSA-N 357.410 2.134 0 40 FEAB O=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1cccc(F)c1 253405061 RSXRCPMFZMLORI-INIZCTEOSA-N 370.471 2.487 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)CCN)CC2)ncn1 257210347 BUFIWCPCRCCLIY-HNNXBMFYSA-N 357.458 2.268 0 40 FEAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1OC 253448549 OOISRZKDLJIGMY-UHFFFAOYSA-N 372.421 2.465 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)c1 253602217 LAEJXPGLOBVETF-GOSISDBHSA-N 353.422 2.375 0 40 FEAB CCC(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1616030531 CFLYJIVAWYRRKU-INIZCTEOSA-N 355.276 2.211 0 40 FEAB O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(CCCN(Cc3nccs3)C2)C1 585101118 FOHKPROFIGOBEP-HNNXBMFYSA-N 370.425 2.168 0 40 FEAB CC(C)(C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 40050158 SEVCYLRTQADDFP-LBPRGKRZSA-N 360.273 2.030 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)CSC3CCCC3)C2)cc1 96378057 DYJWLQMOQGISJH-UHFFFAOYSA-N 369.508 2.356 0 40 FEAB CN1CCC(N2CC[C@@H](NC(=O)N3CC[C@H]3c3ccc(F)cc3)C2)CC1 660712423 JXLKXVQRYSGBRB-MJGOQNOKSA-N 360.477 2.451 0 40 FEAB O=C(CN1CCC2(CC1)NC(=O)c1ccccc1O2)NC1CCCCC1 12183446 RRZQQVKPTOYGTC-UHFFFAOYSA-N 357.454 2.050 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 12896806 ZEXIRFOFKQCAGN-OAHLLOKOSA-N 361.467 2.049 0 40 FEAB CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581271 VYDJMKJJTJBHPK-LBPRGKRZSA-N 360.451 2.150 0 40 FEAB COc1cc2nc(NN)n(-c3ccc(Cl)c(F)c3)c(=O)c2cc1OC 15424608 OTAAZUUXVGGEKU-UHFFFAOYSA-N 364.764 2.481 0 40 FEAB Cc1cccc(CNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 15842682 FSNFBYOZMDVIOR-AWEZNQCLSA-N 372.446 2.238 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19496276 ZIYLVFQQNYTHKO-IAGOWNOFSA-N 372.513 2.160 0 40 FEAB CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(CN2CCOCC2)o1 19586063 LAGRTCODJGDAJK-FQEVSTJZSA-N 370.449 2.498 0 40 FEAB CCn1nc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c2ccccc2c1=O 19716925 ZVFBHGQMURRRHT-GFCCVEGCSA-N 367.453 2.128 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@H]2[C@@H]1CC=CCC1 9289481 DFZROZILPGRGAB-SJLPKXTDSA-N 370.501 2.264 0 40 FEAB COCCCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc2c1=O 5801753 RUCQKGRJCWZEIE-GFCCVEGCSA-N 361.467 2.192 0 40 FEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC=C(c2ccccc2)CC1 11240188 PLVRNTXPRZAYIM-UHFFFAOYSA-N 361.401 2.006 0 40 FEAB COc1cnc(OC2CCN(C(=O)c3cccnc3SC)CC2)nc1 1889139191 IFGSSEGUXZMTED-UHFFFAOYSA-N 360.439 2.286 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccnn1C1CCCC1 23701889 BBWLSULVOAEMPC-UHFFFAOYSA-N 354.458 2.154 0 40 FEAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@](O)(C(=O)CO)CC[C@@]12O 2049238380 NTTRGAIOMZIGLW-CEOMMRSFSA-N 364.482 2.006 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565552665 RSLUEEUNBZCMCR-KRWDZBQOSA-N 367.453 2.066 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1CCCN([C@H]2CCSC2)CC1 1565522867 UPEAWECGEUJGQM-HNNXBMFYSA-N 358.504 2.336 0 40 FEAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O 1565542691 VUQGVWOTTGYTEV-LPHOPBHVSA-N 356.447 2.215 0 40 FEAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O 10274403 WFSMXUPPUDSHBV-UHFFFAOYSA-N 370.434 2.030 0 40 FEAB Cc1nnsc1C(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662283 SPBOTIPOCFRURI-UHFFFAOYSA-N 358.379 2.203 0 40 FEAB O=C(CCC(=O)N1CC(c2nc(-c3ncccn3)no2)C1)c1ccccc1 49482796 ONCCXXHZJWMLEZ-UHFFFAOYSA-N 363.377 2.116 0 40 FEAB COc1ccc(CCNC(=O)Cn2cnc3ccc(C)cc3c2=O)cc1 40117062 VAVXTQQYQOOZLQ-UHFFFAOYSA-N 351.406 2.072 0 40 FEAB CC(C)(C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccc2c(c1)OCCO2 50425918 WJXACSMSHKDMPG-CQSZACIVSA-N 372.465 2.253 0 40 FEAB CSc1ncccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32250339 YUBXVZNRABATPT-MRXNPFEDSA-N 357.479 2.434 0 40 FEAB CC(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F 32900990 HANRLJASCBZCOM-SNVBAGLBSA-N 352.378 2.144 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OCC 103155547 JFSDGUHUVNAULE-JOCBIADPSA-N 359.422 2.189 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCCc3csc(C)n3)CC2=O)cc1 23056243 DRDOIGUMRUWRFL-ZDUSSCGKSA-N 359.451 2.172 0 40 FEAB CC[C@@H](CCNC(=O)Nc1ccc(OCCOC)nc1)N1CCCC1=O 71184966 AVUQBBOEMFIVPF-HNNXBMFYSA-N 364.446 2.019 0 40 FEAB CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 902727 YNSVHCBASIYLFG-JTQLQIEISA-N 361.833 2.335 0 40 FEAB COC(=O)CN(CCN(CC(=O)OC)c1ccccc1)c1ccccc1 78969887 QYGRHDRSRLFFID-UHFFFAOYSA-N 356.422 2.346 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 105646805 VMPKLASRUQADHI-APWZRJJASA-N 357.498 2.196 0 40 FEAB CCOC(=O)c1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 4318888 PWSBJHFYYSSHSE-HNNXBMFYSA-N 360.366 2.028 0 40 FEAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N(C)c1ccccc1 24760559 JUMMNROYRXVDLM-HUUCEWRRSA-N 370.405 2.223 0 40 FEAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1 6509060 AUMFWMKSLDJOJI-UHFFFAOYSA-N 374.462 2.216 0 40 FEAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC(=O)c1ccco1 24956125 YDFQIJJPOSUGSW-UHFFFAOYSA-N 355.268 2.341 0 40 FEAB COc1cccc(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 7684774 LSWZVXBOCAOBPR-UHFFFAOYSA-N 364.423 2.141 0 40 FEAB Cc1cccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1C 7939728 KUSBVNGFQFDJIJ-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ncccc12 100466738 BOLBRZWHNIBFRJ-JYCXRUEVSA-N 373.412 2.226 0 40 FEAB O=C(COC(=O)c1cnccn1)Nc1ncc(C(F)(F)F)cc1Cl 3233098 KYVUPWVVCFPYPR-UHFFFAOYSA-N 360.679 2.339 0 40 FEAB COCC(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 25755730 IRLARAHDTQZWOM-UHFFFAOYSA-N 366.464 2.080 0 40 FEAB CCCn1nnnc1COC(=O)CCc1nc(-c2ccc(C)cc2)no1 25848539 IPQYMWTURCFWCC-UHFFFAOYSA-N 356.386 2.118 0 40 FEAB Cc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1C 100334668 QFWSGULJIYKXEM-INMHGKMJSA-N 350.484 2.374 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 12604265 ZYTCPGSVXKCMEY-ROUUACIJSA-N 361.401 2.407 0 40 FEAB NC(=O)c1ccc(-c2nnn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 26723176 RMGKNPJMVQAEHC-UHFFFAOYSA-N 363.299 2.386 0 40 FEAB Cc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2c(C)noc2n1 58193228 BYVVPIKOOSUVPY-UHFFFAOYSA-N 351.366 2.282 0 40 FEAB CCc1[nH]c(C(=O)NCCC(=O)Nc2ccc(C)cn2)c(C)c1C(=O)OC 58231581 FECUFFJLWAYFJR-UHFFFAOYSA-N 372.425 2.134 0 40 FEAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC(=O)O)ccc12 2102357 UMYSCSFQFDECSA-GFCCVEGCSA-N 361.394 2.494 0 40 FEAB biogenic CCc1[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(C)c1C(=O)OC 12774277 ZTDYZXKOVBAJIU-NSHDSACASA-N 350.415 2.276 0 40 FEAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 36616166 XBMRLBGQIULMKX-CQSZACIVSA-N 365.437 2.457 0 40 FEAB Cc1cccc(CN2CCC(NC(=O)c3nc4nccc(C)n4n3)CC2)c1 48363785 QLHFHVLZNQUSTN-UHFFFAOYSA-N 364.453 2.136 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1F 48331793 BORRQMGIEBKBPR-UHFFFAOYSA-N 357.334 2.401 0 40 FEAB CCCc1n[nH]c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 11808153 CVLVIIGVHYJJBU-NSHDSACASA-N 362.455 2.498 0 40 FEAB CC1(C)CC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)N1 29788168 NIMUADIKIIQQTG-UHFFFAOYSA-N 353.488 2.097 0 40 FEAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 9114360 ULAHFOZYARPHFO-LBPRGKRZSA-N 351.255 2.235 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 13003849 HCKZEGBXYVWCGS-MNOVXSKESA-N 363.366 2.096 0 40 FEAB COc1cc(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)O)cc1OC 13087519 ZYSKUFZRVMFWFD-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2F)cc1 9113981 LXVFIKVGTWHYGL-UHFFFAOYSA-N 364.398 2.335 0 40 FEAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 71415947 QFVXLYSFDYBKTI-SNVBAGLBSA-N 362.245 2.023 0 40 FEAB O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13730893 ONKYAEHOWHFPMZ-HNNXBMFYSA-N 373.434 2.160 0 40 FEAB COC(=O)Cc1cc(O)nc(SCC(=O)Nc2c(C)cccc2C)n1 5117089 FKIOSZXWUSKONT-UHFFFAOYSA-N 361.423 2.245 0 40 FEAB CC(C)C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 6358040 QVQNBLAJWDIELP-INIZCTEOSA-N 368.389 2.452 0 40 FEAB O=C1CCCN1CCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1 14099374 LRFZSGSCJGSNNZ-UHFFFAOYSA-N 351.255 2.284 0 40 FEAB O=C(c1cc2c(nc3sccn32)s1)N1CCN(c2ncccn2)CC1 9466943 CLDKIFSOBMJRJD-UHFFFAOYSA-N 370.463 2.363 0 40 FEAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1cccc(Cl)c1Cl 65753863 LMFOLRPAKQYHRY-SNVBAGLBSA-N 366.266 2.313 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 6594941 YGXLMERKBYCFQV-UHFFFAOYSA-N 371.231 2.372 0 40 FEAB CCCNC(=O)C[C@@H](C)CC(=O)NCCc1ccc(OC)c(OC)c1 4676928 QHYYAQYESXVHSW-CQSZACIVSA-N 350.459 2.305 0 40 FEAB COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1F 6719533 PEWCJRQVOXRVMY-LLVKDONJSA-N 357.337 2.467 0 40 FEAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15197517 DWFJJVAJUFQPEO-ZDUSSCGKSA-N 363.435 2.355 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)s1 5944248 WABRWUAPMDRRBH-UHFFFAOYSA-N 372.446 2.457 0 40 FEAB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)N1CCOCC1 8052450 MINSBPJJVGMIND-OAHLLOKOSA-N 364.467 2.311 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20490870 VAEWZCLJMDKHSX-KGLIPLIRSA-N 356.513 2.407 0 40 FEAB Nc1c(C(=O)CSc2ccccc2Cl)c(=O)[nH]c(=O)n1C1CC1 8540113 PNUPPLOYVRCFPT-UHFFFAOYSA-N 351.815 2.082 0 40 FEAB Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3cccs3)C2=O)cn1 118083849 HJMOXNHIHONKQX-UONOGXRCSA-N 359.455 2.134 0 40 FEAB CN1C(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C1=O 89374702 KBAJUPRFFUAJQU-UHFFFAOYSA-N 355.438 2.003 0 40 FEAB COc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 89432460 QUNKTSBOCDVDQW-UHFFFAOYSA-N 358.369 2.138 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1cnc([C@H]2CCCO2)s1 89650167 ULJVLYIYOKIFSE-GFCCVEGCSA-N 361.471 2.285 0 40 FEAB COc1ccccc1S(=O)(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38934834 UEKLQGNEHHGNNZ-UHFFFAOYSA-N 372.450 2.082 0 40 FEAB O=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NC2CC2)c1 217441339 WTHXWFOGXBRLRL-UHFFFAOYSA-N 360.435 2.480 0 40 FEAB O=C(CSc1nnc2ncccn12)Nc1ccc(N2CCCC2)cc1 35312380 PLOBVBPJAIQJQI-UHFFFAOYSA-N 354.439 2.455 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1 32439698 JWSVFGYVLCVCGU-HNNXBMFYSA-N 368.499 2.258 0 40 FEAB COC[C@H](C)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217655318 YOOXRLWXKWIXJJ-LBPRGKRZSA-N 358.460 2.156 0 40 FEAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 73572361 NTPCUTOVVYLPCA-UHFFFAOYSA-N 352.350 2.490 0 40 FEAB Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2COc3ccccc3O2)n1 77101081 TZUVFBBDYPMBIA-ZDUSSCGKSA-N 367.327 2.303 0 40 FEAB Cc1ccc(CC(=O)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 40090563 QIDUFUQKJZFXTA-CALCHBBNSA-N 358.482 2.412 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(F)c(F)c1 224167201 ZZQUDDSRUWOETJ-UHFFFAOYSA-N 368.409 2.224 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)c1 44901293 UURGZRGMLCCRKB-HLLBOEOZSA-N 365.433 2.247 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382513 KFTSHBPELVAEMA-LSDHHAIUSA-N 368.389 2.096 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 223660621 RKPAEZMZYPGNTE-UHFFFAOYSA-N 356.513 2.432 0 40 FEAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 96039753 RUSLCUHAPSHNIG-SJLPKXTDSA-N 352.500 2.224 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc1O2 96053454 JDFDYIGMHYHGBN-HNNXBMFYSA-N 372.465 2.229 0 40 FEAB Cc1cc(C[C@@H](C)NC(=O)c2cnc(-c3csc(C)n3)nc2O)[nH]n1 91636005 SXYYOVSGTIUNTH-MRVPVSSYSA-N 358.427 2.007 0 40 FEAB COc1ccc(N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)nn1 95478530 FZFUURLGHDDEMD-CYBMUJFWSA-N 370.409 2.112 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 96245402 QQRUZPDQQIKIFA-CALCHBBNSA-N 358.463 2.145 0 40 FEAB O=C(NCC[C@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 583623968 QXNZEVJHJCQTRA-SJORKVTESA-N 374.485 2.414 0 40 FEAB Cc1nc(COC[C@@H]2CCOC23CN(C(=O)c2ccncc2)C3)cs1 248028318 LDVBORVRARUJAD-HNNXBMFYSA-N 359.451 2.294 0 40 FEAB CCc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257275997 NRXXYMRPSBYQGR-GFCCVEGCSA-N 358.427 2.216 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1n[nH]c2ccccc12 257278060 OAPCHLYBNPSXJB-CQSZACIVSA-N 351.410 2.135 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)CC1 257295766 QZTCWOCAWLBLFN-QGPMSJSTSA-N 358.486 2.381 0 40 FEAB COc1ncc(CN2CCC3(CC(N(C)c4cc(C)ncn4)C3)C2)cn1 257265752 MACLWRVYTOVFSH-UHFFFAOYSA-N 354.458 2.075 0 40 FEAB CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C)s1 96104801 JNUSIZSQHRBCIS-HNNXBMFYSA-N 369.464 2.494 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2[nH]cnc2C)C3)n1 575403837 KTPQZNVGHHUBHN-OAHLLOKOSA-N 358.467 2.338 0 40 FEAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575404601 SKXXDRBVWZCUID-LBPRGKRZSA-N 356.451 2.073 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)N1CCCC1 585112135 IPWWJIAGHMZZKE-QGZVFWFLSA-N 354.458 2.031 0 40 FEAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)c3scnc3C)C2)no1 19693839 ONLANCDIAVRJDF-NSHDSACASA-N 370.438 2.484 0 40 FEAB Cc1csc(C(=O)N2CC(n3nc(-c4ccncc4)ccc3=O)C2)c1 1776009382 YBIPEVGOXBIPMS-UHFFFAOYSA-N 352.419 2.372 0 40 FEAB CCn1cc([C@@H]2CN(C(=O)Cc3noc4ccc(F)cc34)CCO2)cn1 517537549 ANCNUNQKQOADLR-KRWDZBQOSA-N 358.373 2.326 0 40 FEAB COc1ccc2cc(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)[nH]c2c1 601486217 SHWAQLPBXAOIQV-NSHDSACASA-N 355.316 2.070 0 40 FEAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(C(C)(C)CO)cc2n(C)c1=O 5345299 ALUQEQJPCIFJLR-UHFFFAOYSA-N 361.829 2.087 0 40 FEAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccnn1C)c1ccccc1O2 12086453 BPNPHRWDXZSTQP-YWZLYKJASA-N 368.437 2.055 0 40 FEAB CC(C)(C)NC(=O)Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O 12117432 DRQVXTVTXOTAOL-UHFFFAOYSA-N 357.439 2.072 0 40 FEAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3cccc4ccccc34)[C@H]2C1 12188454 UADCMQIERWWFGV-AEFFLSMTSA-N 358.463 2.471 0 40 FEAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@H]1CCS(=O)(=O)C1 12226916 JATBZJYSEZFDMC-NWDGAFQWSA-N 356.494 2.039 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1 12865841 NRWXPJJXNVQNJE-MRXNPFEDSA-N 360.479 2.493 0 40 FEAB Cc1cc(O)n2nc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)cc2n1 13225657 RUOYMJNHGBACJP-AWEZNQCLSA-N 354.385 2.441 0 40 FEAB COc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(F)cc3)N2)cc1 14607657 OOCNKKLJBYCIHU-OAHLLOKOSA-N 356.357 2.129 0 40 FEAB CCn1nc(C(=O)NCCOc2ccc(OC)cc2)c2ccccc2c1=O 15615479 ZEKBNKKEIZGRPK-UHFFFAOYSA-N 367.405 2.234 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC(O)CC2)C1 19016949 FDJFTGJDCXGSTJ-OAHLLOKOSA-N 356.470 2.246 0 40 FEAB COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19554572 JNQQNMAXKXETQO-IBGZPJMESA-N 366.465 2.427 0 40 FEAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@H]2CCCN(C)C2)n1 19655570 XBFMVKLFDHRNGU-INIZCTEOSA-N 364.453 2.049 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(-n3nc4ccc(N)cc4n3)cc2)CC1 226305736 QQJMMEVBSAHSBD-UHFFFAOYSA-N 371.466 2.423 0 40 FEAB O=C(CN1CCOCC1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 1848355355 UKIKQIPAOHUFFC-KRWDZBQOSA-N 353.466 2.348 0 40 FEAB CCc1ncnc(N2C[C@H]3CN(c4nc(C5CC5)ns4)C[C@H]3C2)c1F 1888866613 GYNHBHDWEKUZDB-TXEJJXNPSA-N 360.462 2.480 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2nnco2)CC1 1888879284 VQXYHYMFSDAIGX-UHFFFAOYSA-N 357.389 2.139 0 40 FEAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCC1)c1ccc2c(c1)CCO2 244969160 HBSFLEUTPOXBHG-INIZCTEOSA-N 364.492 2.408 0 40 FEAB O=C(c1cncnc1)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223545 RADXSNXMWXMXRB-HXUWFJFHSA-N 351.454 2.390 0 40 FEAB Cn1cccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)c1=O 1565550398 BYGMATQSYYRTOX-UHFFFAOYSA-N 366.446 2.145 0 40 FEAB Cc1cc(OCC2CCN(c3nc4ccccc4c(=O)n3C)CC2)ncn1 1565519376 NPVJGJMLVFWRSY-UHFFFAOYSA-N 365.437 2.327 0 40 FEAB COc1cccc(CNC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c1 7148898 OQKHVBNBUGDMOB-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772783 DLTMQEFDZSVWSA-UHFFFAOYSA-N 366.465 2.364 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 108701771 KFTSHBPELVAEMA-CABCVRRESA-N 368.389 2.096 0 40 FEAB COc1ccc(Cl)c2sc(N3CC(C(=O)N4CCOCC4)C3)nc12 2298219164 IZUXEIJRVYWHEW-UHFFFAOYSA-N 367.858 2.253 0 40 FEAB CCOC(=O)c1nn(Cc2ccc(C(=O)OC)cc2)c(=O)c2ccccc12 12410663 IUKIQPCMLXAVJB-UHFFFAOYSA-N 366.373 2.408 0 40 FEAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 40108107 COIMQFLRASHUKO-IAGOWNOFSA-N 371.481 2.050 0 40 FEAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116783 PZYFHGAKLMIYDP-MRXNPFEDSA-N 371.359 2.245 0 40 FEAB O=C(COC(=O)c1ccccc1O)NC[C@H]1CCN(c2ccccc2)C1 50371702 PCGCWPKTUPFCSX-OAHLLOKOSA-N 354.406 2.192 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103925909 LSLMGYJFIZTSOJ-CXTCDGGRSA-N 352.475 2.349 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O 23228391 UBJZRMNVDPRREM-SFHVURJKSA-N 359.451 2.236 0 40 FEAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)ccc12 2116074 YRDDIMAXVMGUKA-IUODEOHRSA-N 361.394 2.484 0 40 FEAB biogenic O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(CN2CCOCC2)cc1 23718895 MIJWNMVLRVQGFA-UHFFFAOYSA-N 368.433 2.471 0 40 FEAB C[C@]12NC(=S)N[C@H](c3ccccc3O1)[C@@H]2C(=O)NCc1ccccc1 4103764 XTZQYSHCZWZFLX-MDZRGWNJSA-N 353.447 2.247 0 40 FEAB CCOC(=O)c1csc(NC(=O)CCN2Cc3ccccc3C2=O)n1 71281002 WIHKPTDHHHSKBL-UHFFFAOYSA-N 359.407 2.304 0 40 FEAB Cc1nc(NC(=O)CCNS(=O)(=O)c2ccccc2F)sc1C 24983526 CNQAJUMQJRPQMU-UHFFFAOYSA-N 357.432 2.206 0 40 FEAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8240254 ONRMCXDEHXOEBH-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB O=C(COc1ccc(C2SCCCS2)cc1)NC[C@@H]1COCCO1 55846229 CMYKCPPABSVZHY-OAHLLOKOSA-N 369.508 2.466 0 40 FEAB Cc1cc(NC(=O)C(=O)N2CCn3cccc3[C@H]2c2ccccc2)no1 57259266 ITSFZFDWZJUTGW-QGZVFWFLSA-N 350.378 2.355 0 40 FEAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35413612 HCTHUAGSYKRHOS-LLVKDONJSA-N 359.348 2.076 0 40 FEAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)O)ccc12 2097299 XKTMZCHHJCAZCF-UHFFFAOYSA-N 361.394 2.414 0 40 FEAB biogenic O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cscn2)CC1 58291290 INDIOCRPQIUMJG-UHFFFAOYSA-N 355.460 2.179 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)CCO1 58291657 HIYGOORYPFPDJT-ZDUSSCGKSA-N 367.862 2.045 0 40 FEAB COc1cc(C)c(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C 55222189 YSPHCGOASKGYSZ-CQSZACIVSA-N 363.435 2.430 0 40 FEAB CCN(CCCNC(=O)C(F)(F)F)CC(=O)Nc1cccc(OC)c1 84774729 JEFBPBUYPCHZCS-UHFFFAOYSA-N 361.364 2.024 0 40 FEAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(CN2CCOCC2)CC1 48333520 FEMMNVIMHSMLMT-SFHVURJKSA-N 364.873 2.214 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)O[C@H](C)C(=O)NC1CCCC1 12810805 CXXJVWFWZZBSPT-GFCCVEGCSA-N 353.440 2.084 0 40 FEAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36365664 KLTCBNQYWSSGLX-UHFFFAOYSA-N 367.409 2.035 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O 11518787 UYNIZULUUQSXRB-UHFFFAOYSA-N 362.361 2.119 0 40 FEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1Cc2ccccc2O1 9114443 IEMCOWYVCMUMNT-QGZVFWFLSA-N 357.362 2.433 0 40 FEAB CCC(CC)NC(=O)Cn1c(=O)c(-c2nccn2C)nc2ccccc21 9154035 APHPSURVKHQIIS-UHFFFAOYSA-N 353.426 2.102 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)on1 13005749 OAPAFKHBQNMTLU-UHFFFAOYSA-N 350.334 2.443 0 40 FEAB CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1cccc(F)c1 13956503 TWKXQAKXRXBIEZ-UHFFFAOYSA-N 365.459 2.415 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(OC)cc(OC)c1 6352298 IPCNAVYITIFCCD-UHFFFAOYSA-N 357.409 2.353 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 4497856 DTWUGFWXJCDYAI-CQSZACIVSA-N 354.472 2.155 0 40 FEAB O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCOCC1 5322940 JBUVEMYPEOILCE-UHFFFAOYSA-N 355.438 2.062 0 40 FEAB FC(F)(F)c1nnc2ccc(Sc3nnc(CN4CCCC4)o3)nn12 14238356 FHHDHVABVSVFEN-UHFFFAOYSA-N 371.348 2.273 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CC1 4681604 ZYQZVJXPLZXQDH-UHFFFAOYSA-N 358.463 2.376 0 40 FEAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)NC1CCCC1 9494944 KYUHZHQZFNLJFX-UHFFFAOYSA-N 352.818 2.176 0 40 FEAB COC(=O)c1ccccc1N[C@@H]1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O 6905830 LPSAVQCPAWVQAB-QGZVFWFLSA-N 366.373 2.420 0 40 FEAB COc1ccc2c(C[C@@H]3[C@H](O)c4ccccc4S(=O)(=O)N3C)c[nH]c2c1 9476647 MMKJVQDMNYBDJE-IEBWSBKVSA-N 372.446 2.455 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CCSc2ccccc21 18134479 SCGMZWBILQIBPM-CQSZACIVSA-N 352.419 2.145 0 40 FEAB CCOC[C@H]1CCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)C1 72311380 PNMCNIYXXAQCFD-YJBOKZPZSA-N 373.453 2.069 0 40 FEAB CN1CCC(O)(CNC(=O)c2cccnc2Sc2ccccc2)CC1 72306592 BGOHCTFAXWDNKN-UHFFFAOYSA-N 357.479 2.419 0 40 FEAB CN1C(=O)[C@](O)([C@@H]2C(=O)Nc3ccc(Br)cc32)c2ccccc21 36245353 CCYAZZILOKJIMM-WMLDXEAASA-N 373.206 2.349 0 40 FEAB C[C@@H](CN1CCOCC1)N(C)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 529208143 MSMYEKICQFMBED-LBPRGKRZSA-N 374.407 2.031 0 40 FEAB CC(C)N(CCC(=O)O)S(=O)(=O)c1cccc(Br)c1F 541909575 KRNQEWPJZMYPPU-UHFFFAOYSA-N 368.224 2.462 0 40 FEAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccccc1F)C[C@@H]2O 30588740 WDXIZGXCNDEMPZ-INIZCTEOSA-N 374.412 2.008 0 40 FEAB O=C(Cc1ccccc1C(=O)O)Nc1cccc(CC(=O)NC2CC2)c1 71284712 BGAXXSMZVAHODN-UHFFFAOYSA-N 352.390 2.387 0 40 FEAB O=C(Cc1ccc(Br)cc1)N1CCN(c2cnsn2)CC1 1565522146 BYAPBEHPXMEGEQ-UHFFFAOYSA-N 367.272 2.192 0 40 FEAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)NCc1ccco1 72346858 USZASWDZDICIMP-UHFFFAOYSA-N 368.418 2.217 0 40 FEAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)[C@H]1COc2ccccc2O1 75156975 FOGMTVQDKNURCS-GOSISDBHSA-N 370.405 2.088 0 40 FEAB CC(C)Cc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)s1 44918940 FURCNDIJVCYGDA-GFCCVEGCSA-N 373.438 2.465 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 48064850 OIYICAGVMGPZGG-PPYMECGQSA-N 361.442 2.105 0 40 FEAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N(C)c1ccccc1 222815456 QUSDRQKXNDAKIC-UHFFFAOYSA-N 362.451 2.287 0 40 FEAB Cn1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c([C@H]2CCCNC2)n1 333900229 ZRGGYESGYZAGEH-XJKSGUPXSA-N 360.483 2.162 0 40 FEAB COc1ccc(S(=O)(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 98212053 UZMSCXSNPCTIRU-UHFFFAOYSA-N 360.366 2.213 0 40 FEAB CCCCNC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96238028 BUDOLCFKVOKNCM-LJQANCHMSA-N 362.449 2.058 0 40 FEAB Cn1c(C(F)(F)F)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 85470744 JUKDAEFRFPAEMJ-UHFFFAOYSA-N 352.675 2.032 0 40 FEAB Cc1ccn(CCC(=O)N2CCC(c3ccnc4cc(C)nn34)CC2)n1 257283155 OWXSVEBNVWPOKK-UHFFFAOYSA-N 352.442 2.339 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccc(COC)cc2)n1 257342038 ZMVBETFFMURSQY-INIZCTEOSA-N 356.426 2.187 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)ccn1 257263599 LQSAHNKYMCLFST-KRWDZBQOSA-N 358.467 2.389 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2cc(O)nc(O)n2)C1 639730431 LNFGZXNZGVEXKJ-WDEREUQCSA-N 362.817 2.358 0 40 FEAB Cc1ncc(-c2ccccc2)cc1NC(=O)CN1CCCC[C@@H](O)C1=O 644409819 MQVRYFUDJXIAQY-GOSISDBHSA-N 353.422 2.369 0 40 FEAB Cn1ncc(C2CC2)c1C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1 659148907 YMDPNOMADYWPRO-UHFFFAOYSA-N 365.393 2.111 0 40 FEAB COc1cc2c3c(c1)[C@@](O)([C@H]1COCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816497 JCSNJPRMWGCWQI-MGPUTAFESA-N 357.406 2.031 0 40 FEAB CS(=O)(=O)CCNC(=O)N1CCC(c2nc3ccccc3s2)CC1 76037868 XHVIYLZPRFUNBM-UHFFFAOYSA-N 367.496 2.230 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC[C@H](C)C2)c1C 5326527 XOKVOAYTUAZUEI-NSHDSACASA-N 350.415 2.224 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1cccs1 12146247 XTZKBRABVBMLIP-MRXNPFEDSA-N 369.446 2.016 0 40 FEAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(=O)[nH]cnc21 12413710 LQADXQYMUZVVPF-UHFFFAOYSA-N 357.439 2.487 0 40 FEAB biogenic,in-vitro O=C1NCC2(CCC(C(=O)NC[C@H]3CCCO3)CC2)Oc2ccccc21 19374736 LPGJIQJUQSFMFC-RDYUPDBUSA-N 358.438 2.033 0 40 FEAB CCc1nccn1[C@@H](C)C(=O)N1CC(C(=O)Nc2cccc(OC)c2)C1 19747669 COMFQYHSKWRHAC-ZDUSSCGKSA-N 356.426 2.112 0 40 FEAB CS(=O)(=O)N1CCC(CC(=O)Nc2nc3c(s2)CCCCC3)CC1 19748864 UANCCMQXOJQSRV-UHFFFAOYSA-N 371.528 2.412 0 40 FEAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NCCc1ccccc1 4564760 OXSCFRUVWQRYTQ-RGEXLXHISA-N 366.417 2.066 0 40 FEAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO)ccc1O 6793327 OGFXBIXJCWAUCH-ZQGRQUNCSA-N 360.406 2.020 0 40 FEAB biogenic,in-vitro Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@H]2[C@H]1CC=CCC1 14607543 IGHIBLQKNVOBSY-WMLDXEAASA-N 350.426 2.373 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)c2cccc(F)c2)cc1OC 1939393 DOFHYPXFUGTZSG-UHFFFAOYSA-N 361.369 2.359 0 40 FEAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)=NN1 4349385 MJSIJBYUAUAXLE-UHFFFAOYSA-N 367.361 2.227 0 40 FEAB CC(C)C(=O)Nc1ncccc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 1888922093 OLULCLIPTSNJAJ-UHFFFAOYSA-N 362.430 2.025 0 40 FEAB COc1nccnc1N1CCC(Cn2cnc3ccccc3c2=O)CC1 1889151745 RDMKYCOOPBBXAV-UHFFFAOYSA-N 351.410 2.112 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 24817854 FHQYCUDZMWTEMA-OAHLLOKOSA-N 358.463 2.346 0 40 FEAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(CCn4nccn4)C3)ccc2n1 2087035490 WKSXSKRPHHENIX-HNNXBMFYSA-N 369.473 2.019 0 40 FEAB Cc1nc(C(=O)N2CCOC[C@]3(C[C@@H](CN(C)C(C)C)CO3)C2)cs1 1565548011 WDXHSXYIIFMXHX-YJBOKZPZSA-N 367.515 2.039 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2ccc3c(c2)OCO3)C1 2157947 YWZRZBRWSJYIKP-STQMWFEESA-N 369.446 2.393 0 40 FEAB biogenic CCc1cc(=O)[nH]c2nnc(SCC(=O)N3CCCc4ccccc43)n12 9018226 LMIGBTNSWXQHCP-UHFFFAOYSA-N 369.450 2.052 0 40 FEAB COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F 32707842 JFPBQOIBNNLDKS-UHFFFAOYSA-N 372.396 2.488 0 40 FEAB CN([C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)S(=O)(=O)C1CC1 2086889283 BGINUQNMJIQEKS-GFCCVEGCSA-N 363.405 2.493 0 40 FEAB O=C(N[C@@H]1CCN(c2nccs2)C1)c1cncc(Br)c1 206813674 WMUVPEBPFMATGJ-LLVKDONJSA-N 353.245 2.309 0 40 FEAB CCC(CC)c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3)c2n1 5271217 QIUIRERYGCHWQF-UHFFFAOYSA-N 355.398 2.120 0 40 FEAB O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2ccc(O)cc2)N1 11665638 ZYRZOFGEQWPPBR-QGZVFWFLSA-N 353.353 2.182 0 40 FEAB COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4604663 AQYRGXCOSWGKLD-SFHVURJKSA-N 356.422 2.287 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 40073664 IOBVDEHCOMJVHP-SJORKVTESA-N 361.486 2.427 0 40 FEAB COC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Br)s1 30287882 CMOLYWZEOKPKCS-UHFFFAOYSA-N 354.247 2.082 0 40 FEAB CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C1CCCCC1 30475905 YSRDLHQROSEZEK-QGZVFWFLSA-N 360.433 2.427 0 40 FEAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1cccnc1-n1cncn1)C2 40108931 VFHBIEPJSAXJST-INIZCTEOSA-N 351.435 2.304 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 40120113 LPMXMVPDFSGFSE-JTQLQIEISA-N 374.268 2.095 0 40 FEAB C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 32779046 PAEIEWLWCFICLY-MRXNPFEDSA-N 365.433 2.500 0 40 FEAB Cc1ccccc1OCC(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 32810452 FQQBQJDCFMOBJE-GOSISDBHSA-N 354.406 2.256 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)cc1 32999947 UMVGFARVWRSLNK-FQEVSTJZSA-N 352.434 2.327 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc3c(c2)OCCO3)s1 42318257 DOQAJVWHISMQBA-GQCTYLIASA-N 365.432 2.346 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2C1=O 47420230 XNACWICZVHACQV-UHFFFAOYSA-N 364.336 2.490 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 37553567 OMDQZMLDERXUOG-DZGCQCFKSA-N 367.467 2.317 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)ccc1OC)CC(=O)N2 4944328 RAZMOWXXZFIDFS-LLVKDONJSA-N 361.423 2.373 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 4999912 AGGGKWZCFIVHJX-UHFFFAOYSA-N 359.332 2.100 0 40 FEAB Cc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6778373 URYYOSNEOSRLRF-UHFFFAOYSA-N 364.408 2.493 0 40 FEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106529527 TUTJQOUDMUIHAH-BFYDXBDKSA-N 352.500 2.150 0 40 FEAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CCNC1=O 8071553 DABVBBBEQIISJH-VIFPVBQESA-N 363.468 2.374 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 56158114 IGQGRGYAWCMUQJ-VIFPVBQESA-N 364.402 2.396 0 40 FEAB Cc1ccsc1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 56156705 FPFMREDCVXKQLR-NSHDSACASA-N 358.510 2.443 0 40 FEAB Cc1cccc(OCCCNC(=O)N2CCN(c3ncccn3)CC2)c1 26279552 FXPABSLNURGMCR-UHFFFAOYSA-N 355.442 2.086 0 40 FEAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3399668 RPEPAVMHXRWDSP-CYBMUJFWSA-N 362.451 2.437 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 102014624 UXDJWMJAFYTNPD-SDADXPQNSA-N 357.797 2.252 0 40 FEAB O=S(=O)(NC1CC2(CCN(Cc3cncc(Cl)c3)C2)C1)C1CC1 108528302 CRKNWMFPBFALQE-UHFFFAOYSA-N 355.891 2.171 0 40 FEAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)NC(=O)NC1CC1 12896683 RVPUOOVEWMJFEW-UHFFFAOYSA-N 359.426 2.148 0 40 FEAB O=C(Nc1ncccn1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12877861 QIAQSSGXLKVXTM-SNVBAGLBSA-N 361.199 2.231 0 40 FEAB CCn1nccc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619113 MUSSMXSDODECQA-CYBMUJFWSA-N 361.409 2.499 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1 11519212 MMLBWQRZOMXQDJ-UHFFFAOYSA-N 354.435 2.458 0 40 FEAB CNC(=O)NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 3451278 LCRXRJNKOSCEKN-UHFFFAOYSA-N 365.238 2.225 0 40 FEAB C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1 46037289 QVDNFZTVDPAIEJ-KBRIMQKVSA-N 359.470 2.152 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O 29603342 DCKGDEURRXTVDU-INIZCTEOSA-N 372.362 2.108 0 40 FEAB C[C@@H](C(=O)NCCc1cccs1)N(C)Cc1nc2ccccc2c(=O)[nH]1 37187866 OMTAPKCTRFRELL-ZDUSSCGKSA-N 370.478 2.164 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OC 12211768 MBLIBKGLVMKHGP-UHFFFAOYSA-N 360.435 2.344 0 40 FEAB Cc1ccc(NC(=O)CNc2ccccc2F)cc1S(=O)(=O)N(C)C 9254935 RDGPSSIVDGQZOX-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB O=C(Cn1c(NCCO)nc2ccccc21)NCc1cccc(Cl)c1 5185431 PCMCGJVTDLQYOI-UHFFFAOYSA-N 358.829 2.410 0 40 FEAB Cn1nc(CC(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O 72402136 SAQUMRYFOMBWFN-UHFFFAOYSA-N 360.417 2.247 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1C 4550179 CTWGHAHZXHWMQG-LLVKDONJSA-N 350.415 2.224 0 40 FEAB O=C1C[C@@]2(CCN=N2)C(=O)N1c1ccc(I)cc1 4670398 VOHQQKKVSUVRQE-LBPRGKRZSA-N 355.135 2.149 0 40 FEAB Cc1cc(C)n(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)n1 9419940 LLLILMAUYSYIQH-UHFFFAOYSA-N 358.829 2.354 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 5876302 PETCQWLDLVWXKC-KBXCAEBGSA-N 363.435 2.395 0 40 FEAB CCc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 15192316 DQDCFADVIAYAPZ-UHFFFAOYSA-N 351.406 2.384 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)[C@@H]1COc2ccc(Cl)cc2C1 15571600 XEWJCNLYFRWWFL-LBPRGKRZSA-N 355.781 2.371 0 40 FEAB CCS(=O)(=O)CCNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 68056369 BUMLWFWLELPXFM-SECBINFHSA-N 354.255 2.312 0 40 FEAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OC(F)(F)O4)ccc2N1 7726574 HOEVVHVWRXRRSI-UHFFFAOYSA-N 368.317 2.304 0 40 FEAB C[C@H](COc1ccccc1)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 69415260 WJIFCXCFXOMAOR-LLVKDONJSA-N 355.419 2.409 0 40 FEAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnnn1C1CC1 8777217 CHFXBJWDETZPBL-UHFFFAOYSA-N 367.862 2.291 0 40 FEAB COc1cc2[nH]c(CN(C)CCOc3ccccc3)nc(=O)c2cc1OC 8708448 DNDDYTYJTWXZMX-UHFFFAOYSA-N 369.421 2.451 0 40 FEAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(C)[C@@]31C(=O)N(C)c2ccccc21 8917075 HYGYPZQOQBPXJX-OAQYLSRUSA-N 360.369 2.407 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 95951292 XPNISXLIAAOIKX-UHFFFAOYSA-N 374.876 2.382 0 40 FEAB O=S(=O)(NCCNc1ccccn1)c1ccccc1OC(F)(F)F 75110752 UUGRYECBXAGSCN-UHFFFAOYSA-N 361.345 2.371 0 40 FEAB Cc1csc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 62022682 IBFZFAHESMKJHJ-UHFFFAOYSA-N 369.454 2.282 0 40 FEAB COc1cc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1C 76494778 LTAGGMZSPWEKIM-DOTOQJQBSA-N 353.484 2.360 0 40 FEAB CCc1nc(COc2ccc(C(=O)N[C@H]3CCn4ccnc4C3)cc2)no1 548639315 VJAGBJHRVWKYMS-AWEZNQCLSA-N 367.409 2.152 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 39986809 UOPVPNKLTKLYKY-UHFFFAOYSA-N 354.472 2.108 0 40 FEAB O=C(CN1CCC(c2cncc(Oc3cccnc3)n2)CC1)N1CCCC1 72383629 MZBITRGGZUTTIF-UHFFFAOYSA-N 367.453 2.466 0 40 FEAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 528945607 ROBAHDMITRMNPH-SJORKVTESA-N 374.466 2.115 0 40 FEAB CCN(Cc1nonc1C)S(=O)(=O)c1ccc(Br)cc1 32611116 AGPAFIAJIUMQEQ-UHFFFAOYSA-N 360.233 2.351 0 40 FEAB CCn1cc(-c2nnc(SCC(=O)NCc3ccco3)n2CC)cn1 36631400 FQJOJEIFXLABQQ-UHFFFAOYSA-N 360.443 2.183 0 40 FEAB Cc1ccc(OC[C@@H](C)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219018605 HXUAMGHXBNVXAB-NXHRZFHOSA-N 370.449 2.220 0 40 FEAB Cc1ccc(Cn2nc3c(=O)n(-c4cccc(F)c4)ccn3c2=O)cc1 225547304 PLBAOTPAGQCNKW-UHFFFAOYSA-N 350.353 2.143 0 40 FEAB CCOc1cccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222420064 SSHVHWYCHGKGKO-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCC3)s2)cc1 224136464 TYXOZPFTTMQUEP-UHFFFAOYSA-N 366.468 2.273 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-c2cccnc2)c1 225640638 GUFKKLDUZQOFNK-UHFFFAOYSA-N 371.400 2.170 0 40 FEAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223574240 GNMGAQYKJBWNPH-MSOLQXFVSA-N 374.510 2.111 0 40 FEAB Cc1ccccc1CNC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220082023 SRYQZTDECADIKI-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB COc1ncccc1CN1CCOC[C@H]1c1nccc(NCC2CC2)n1 96217513 VWVUCOYYIAZSNQ-INIZCTEOSA-N 355.442 2.276 0 40 FEAB O=C1COC2(CCN(Cc3ccc(F)cc3)CC2)CN1c1cncnc1 96159145 KTBNBOPHESHGGM-UHFFFAOYSA-N 356.401 2.014 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1cnn(C)c1C 95474764 IPNNTHCVDHUHPJ-HNNXBMFYSA-N 363.443 2.221 0 40 FEAB CC(C)CC(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225255 ZLMZDYMLGVFNJO-HXUWFJFHSA-N 372.469 2.224 0 40 FEAB O=C(Cc1cccc(F)c1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 96159531 BBWIXXDNPNFMRL-HXUWFJFHSA-N 353.397 2.419 0 40 FEAB COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)c1ccoc1 96044544 CSXQIYGVPZKVPN-QGZVFWFLSA-N 359.426 2.289 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)CCCn2cccn2)n1 257269562 MQMNREBLOWPICC-QGZVFWFLSA-N 356.474 2.187 0 40 FEAB Cc1nc2cc(NC(=O)c3cc(N4CCOCC4)ncn3)ccc2s1 253396567 DXXLKRWBMOEWTO-UHFFFAOYSA-N 355.423 2.484 0 40 FEAB CCN(CC(=O)Nc1ccc(O)c(C(=O)OC)c1)C(=O)OC(C)(C)C 1775964880 JVSVVXLRQZYXCM-UHFFFAOYSA-N 352.387 2.374 0 40 FEAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NC1Cc2ccccc2C1 36597282 TYZPZHVGAIQEFY-GOSISDBHSA-N 363.417 2.450 0 40 FEAB biogenic COc1c[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1=O 604419067 SORNYLKBBFNQNV-HNNXBMFYSA-N 352.394 2.248 0 40 FEAB C[C@H](Sc1nc(CC(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)cs1)C(N)=O 1631035839 DQAGPISIKHGZAE-NRPADANISA-N 365.484 2.137 0 40 FEAB CCOC(=O)N1CCC(O)(CN2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 585285786 MPHPILDCDAGQEG-HZPDHXFCSA-N 354.491 2.392 0 40 FEAB Cc1cnc(C(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)cn1 585105411 WFLOJAOYRAJXIE-MRXNPFEDSA-N 370.478 2.405 0 40 FEAB CNC(=O)[C@]1(C)CCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585284068 RDWLTVBJSRFODL-LJQANCHMSA-N 363.477 2.005 0 40 FEAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccncc2)C1 585182407 KPAFSVYHODCCST-GFCCVEGCSA-N 367.434 2.076 0 40 FEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)NCc2cccs2)CC1 85468323 NWMDGMNULMIHBV-OAHLLOKOSA-N 350.532 2.306 0 40 FEAB COC(=O)[C@H]1CN(C(=O)CCn2nccc2C)C[C@@H]1c1ccc(F)cc1 12157206 QWUNZLDYEFDPJP-SJORKVTESA-N 359.401 2.136 0 40 FEAB O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12407150 ZOFJXEQAKVUOJO-CQSZACIVSA-N 352.373 2.179 0 40 FEAB COCCCNC(=O)CN[C@H](c1ccc2c(c1)OCCCO2)C(C)C 16695679 WOBPATDAKNZZTF-IBGZPJMESA-N 350.459 2.287 0 40 FEAB Cc1cnc(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cn1 19238824 DMVFGMPGKXYAIS-LBPRGKRZSA-N 367.434 2.227 0 40 FEAB Cn1nccc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19289101 VCWNXRJUFATGAF-UHFFFAOYSA-N 369.450 2.252 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1 19552070 AEPBIUCAEWXLDE-SUMWQHHRSA-N 358.438 2.378 0 40 FEAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 19572244 HGTYQKSLVRJEJR-QGZVFWFLSA-N 368.412 2.394 0 40 FEAB CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929578 GPEJOMSLPDRIIO-UHFFFAOYSA-N 354.472 2.073 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)n2)cc1 169680739 ZZCZHLMJVAXOGW-UAGQMJEPSA-N 365.433 2.247 0 40 FEAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCCC2)C1=O 3610734 FXRUWDGQAUTZLY-FQEVSTJZSA-N 351.406 2.229 0 40 FEAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2[nH]nc3ccccc23)cc1 5560630 HMFSDFXOVDNBSL-UHFFFAOYSA-N 352.350 2.317 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(S(=O)(=O)c2cccnc2)C3)nc1 1888869558 WNLUZWYVDJRUOU-QAPCUYQASA-N 374.466 2.050 0 40 FEAB O=C(OCc1ccccc1)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1 34068117 GTXUCGKIYMDLJP-INIZCTEOSA-N 354.362 2.460 0 40 FEAB COc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc(OC)c1OC 16916429 NRXMWBWIXBENCW-UHFFFAOYSA-N 356.378 2.484 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)C1 2055747823 XOVGGZFIRNVLMO-SFHVURJKSA-N 361.442 2.259 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2nccs2)CC1 2055759435 YWKFOESLYLEYKC-UHFFFAOYSA-N 374.510 2.352 0 40 FEAB O=C(c1cocn1)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055782117 OTYJBUZEMATLLG-UHFFFAOYSA-N 365.393 2.141 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccoc2C)CC1 2055747734 RMHJMNSEJKEHTE-UHFFFAOYSA-N 371.437 2.430 0 40 FEAB Cn1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)n1 1775970968 KZOSVOSRFBTLKW-UHFFFAOYSA-N 363.421 2.121 0 40 FEAB COc1ccnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298049611 KHQXIDLEATVFKK-UHFFFAOYSA-N 370.457 2.191 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10254201 WUEZSUREDATNCJ-UHFFFAOYSA-N 351.362 2.095 0 40 FEAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 40135549 LYVRVGVNRSKZEP-IUCAKERBSA-N 351.255 2.268 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)NCCOc1cccc(Cl)c1 40113459 QJAUXMLJZNGBKM-UHFFFAOYSA-N 357.797 2.245 0 40 FEAB Cc1cc(C)cc(OCC(=O)N2CCN(CCc3ccccn3)CC2)c1 21149683 RYHRDIRHUJGOMN-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB CC[C@@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 52796764 OKTXQXRXMNPUPY-CQSZACIVSA-N 363.483 2.372 0 40 FEAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(CCc2ccccc2)C1 33117498 MYIQVNJHQASVAI-OALUTQOASA-N 364.445 2.198 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 47412833 GKXXKAVRQDEBDV-HOTGVXAUSA-N 374.485 2.270 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 23717949 ROKCCWFZNBOJFT-SFHVURJKSA-N 357.366 2.084 0 40 FEAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCC[C@H]4C)c(=O)c23)C1 1331892 GCARXHKXSCECOY-VXGBXAGGSA-N 360.483 2.379 0 40 FEAB Cc1cc(C)n2c(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc2n1 6326394 UHOZMXADOYCGMO-UHFFFAOYSA-N 369.406 2.047 0 40 FEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC#N)C1=O 6879685 MVJKFNCBAYVNQI-UVTDQMKNSA-N 359.407 2.151 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccccn1 7981436 LCNAZCJRZIDTGO-UHFFFAOYSA-N 365.480 2.371 0 40 FEAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 8720793 QNGFVZXTZMYPKX-AWEZNQCLSA-N 371.462 2.475 0 40 FEAB Cc1ccc([C@@H](NC(=O)CN(C)CC(=O)N(C)C)c2cccs2)cc1 26882797 SAAANECAAZYYHH-LJQANCHMSA-N 359.495 2.282 0 40 FEAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)c1 27664686 MYZOCQZILAHBGE-UHFFFAOYSA-N 369.468 2.391 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3-c3cccs3)cnc21 21493646 UBCCSQXSYRHMBG-UHFFFAOYSA-N 365.418 2.497 0 40 FEAB CCn1cnnc1CNC(=O)NCc1ccc(OCc2ccccn2)cc1 58210201 ZGCIEXJIUFHZEJ-UHFFFAOYSA-N 366.425 2.271 0 40 FEAB Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 3344053 CLBPOHXDYZYIGJ-UHFFFAOYSA-N 368.422 2.193 0 40 FEAB CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)c1 58246425 HWDZHCRWLPAEFM-KRWDZBQOSA-N 358.463 2.224 0 40 FEAB CN(C)c1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 58201208 GHFPHNYRANTOJU-UHFFFAOYSA-N 353.422 2.185 0 40 FEAB Cc1ccc(C)c(Oc2ccc(CNC(=O)Cn3cccnc3=O)cn2)c1 58227302 AIQFZRVMELZCAO-UHFFFAOYSA-N 364.405 2.364 0 40 FEAB CCO[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 58305458 JAJUAXCZYHFIKY-AWEZNQCLSA-N 374.890 2.036 0 40 FEAB CCc1nc(C(=O)N(CC)CC(=O)N(C)C)nn1-c1ccccc1Cl 58300017 KRCKJSODWPKSLZ-UHFFFAOYSA-N 363.849 2.033 0 40 FEAB CCN1CCN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124313 ALKFUBDKEXSQQR-KBMWQNTOSA-N 354.450 2.211 0 40 FEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1 28914920 ROVLHPGIELFUBS-CYBMUJFWSA-N 356.401 2.285 0 40 FEAB COc1ccc(-c2noc(CCC(=O)Nc3nncs3)n2)cc1OC 21215108 AQMUNTRPVRBIDL-UHFFFAOYSA-N 361.383 2.177 0 40 FEAB CC[C@@H](CCNC(=O)c1ccc(OC)c(OC)c1OC)N1CCCC1=O 60367831 WCEIYVSUEMWJSP-ZDUSSCGKSA-N 364.442 2.233 0 40 FEAB CCOc1ccc(CCC2CCN(CC(=O)N3CCNC3=O)CC2)cc1 12904439 UDFXRKUTCVPZTE-UHFFFAOYSA-N 359.470 2.282 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccccc1C 9111996 DGJNGSZVZWZLHK-UHFFFAOYSA-N 355.394 2.331 0 40 FEAB COC[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 9194624 ZTHZQTXQCRJEMG-AWEZNQCLSA-N 362.451 2.276 0 40 FEAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)CCO1 13455942 XUIDFPGEGRNXIA-SSDOTTSWSA-N 354.211 2.101 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccccc3O)ccc21 14185042 AUPKXWYAORCKBW-UHFFFAOYSA-N 354.362 2.097 0 40 FEAB CCOC(=O)c1cnc(C)c(NC(=O)NC[C@](C)(O)c2ccc(C)o2)c1 95454827 MSPNKHDOHQEUBD-SFHVURJKSA-N 361.398 2.497 0 40 FEAB Cc1cccc(C)c1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 6547878 QZAHIJSBYPBEOD-UHFFFAOYSA-N 365.389 2.195 0 40 FEAB C[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 9454750 LAJPGURHJLDLAC-LLVKDONJSA-N 366.377 2.009 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1F 20451092 ZSSSRVXIDVOKOC-UHFFFAOYSA-N 371.478 2.278 0 40 FEAB O=C(c1nc(-c2cccnc2)no1)N1CCN(c2ccc(F)cc2)CC1 6721944 GGMQIFMZBMJWBE-UHFFFAOYSA-N 353.357 2.233 0 40 FEAB CCOc1ccc(CCC2CCN(Cc3nc(N)nc(N)n3)CC2)cc1 9513385 FHUOKUSRJFGBHC-UHFFFAOYSA-N 356.474 2.280 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1C 25784647 RCNCXQYTUXOHQP-UHFFFAOYSA-N 354.516 2.309 0 40 FEAB CCCCn1c(COC(=O)C(C)C)nc2cc(S(N)(=O)=O)ccc21 23260610 BRGPZBUXYZKVHG-UHFFFAOYSA-N 353.444 2.183 0 40 FEAB Cc1c/c(=N\C(=O)CCNC(=O)c2ccc(Br)cc2)cc[nH]1 9645711 XRUCPMAPRJWPMI-UHFFFAOYSA-N 362.227 2.333 0 40 FEAB C[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(F)c(F)c1 16685052 QBUWMHMKZHRPAH-LLVKDONJSA-N 372.375 2.011 0 40 FEAB O=C([C@@H]1CCCN1Cc1c[nH]nc1-c1cccnc1)N1CCSCC1 92673163 ANVSBHHVFQOYSO-INIZCTEOSA-N 357.483 2.012 0 40 FEAB C[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H](C)C1 97020915 WFXJJXZTZROZFG-ZJUUUORDSA-N 352.236 2.395 0 40 FEAB Cn1cc([C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)cn1 97012613 TYTXZOYQNYEEKT-FSNWXROXSA-N 367.858 2.448 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)NC(=O)N[C@H]1C 89978253 FPEQOLSQMOXVGC-HUBLWGQQSA-N 364.442 2.287 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612481 UKNMQHDBVRUHOZ-UHFFFAOYSA-N 356.463 2.284 0 40 FEAB Cn1nnnc1SCC(=O)N1CCS[C@@H](c2cccs2)CC1 219464216 QBIXZUFIELQJIL-LLVKDONJSA-N 355.514 2.071 0 40 FEAB COc1cccc(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 38643353 XIUQWTMPBRENHZ-KRWDZBQOSA-N 360.479 2.489 0 40 FEAB CC(C)Cc1nnc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)s1 524733687 FWRWTDPQFRJOIL-LLVKDONJSA-N 363.472 2.403 0 40 FEAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)cs1 32901599 YDGQIMNVFFKLBO-UHFFFAOYSA-N 366.468 2.033 0 40 FEAB CCOc1ccc(NC(=O)COc2cc(C(=O)O)cc(C(=O)O)c2)cc1 217728183 XTHZWUOGGOJVRH-UHFFFAOYSA-N 359.334 2.499 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218594680 TXHSFSZKJDXHRF-UXLLHSPISA-N 365.838 2.370 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 75433460 PEYSDKRTTDQZSN-UHFFFAOYSA-N 352.412 2.218 0 40 FEAB C[C@H](N)C(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 79413090 JDFHDASWPBWTFQ-HNNXBMFYSA-N 359.470 2.373 0 40 FEAB Cc1nnsc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035290 UWEBLIJRHHCRQP-UHFFFAOYSA-N 358.345 2.320 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1 223022295 NHQUKOULTWSEPL-NSHDSACASA-N 372.443 2.237 0 40 FEAB CCC(=O)C1(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1 515768835 PQUPGQQEUJEYCI-UHFFFAOYSA-N 362.857 2.313 0 40 FEAB Cc1ccc2c(c1)CCCN2C(=O)CNC1=NS(=O)(=O)c2ccccc21 42161111 AENCUCDCEWHXNI-UHFFFAOYSA-N 369.446 2.013 0 40 FEAB O=C(O)C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 238030355 CMCXOYQSZCKAML-HNNXBMFYSA-N 362.401 2.001 0 40 FEAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccco4)C3)C2)nn1 96078502 GZABPVMSCJJYNG-LPHOPBHVSA-N 358.442 2.098 0 40 FEAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1 96042903 MSGAICKBERXOSO-SLFFLAALSA-N 358.482 2.209 0 40 FEAB O=C(COc1ccccc1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107835 GYZCZUFQXJAQAP-XLIONFOSSA-N 354.406 2.299 0 40 FEAB C[C@](CO)(NCc1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 331342850 KUWCWHMTNQSKHF-MRXNPFEDSA-N 360.907 2.408 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(CC2CCOCC2)Cc2cncn21 247475520 HAGIBZJBVXSHQV-KRWDZBQOSA-N 360.483 2.044 0 40 FEAB c1cc2nncn2nc1N1CC2(C1)OCC[C@H]2CCOCC1CCCC1 253595985 LRGINYZYTVVWSY-MRXNPFEDSA-N 357.458 2.317 0 40 FEAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(C(=O)Cn3cccn3)CC2)C1 257268287 MLACFZOGQVWKEV-SFHVURJKSA-N 372.444 2.309 0 40 FEAB Cc1cc(N)cc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257245083 IOAQWNMOWDXZCY-SFHVURJKSA-N 357.410 2.009 0 40 FEAB COC(=O)CCN1C[C@@]2(CCC1=O)CC(=O)c1ccc(Cl)cc1O2 257307445 SYQZVFUECZHKTJ-QGZVFWFLSA-N 351.786 2.230 0 40 FEAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260897593 JEDXZEHOFSJYDF-KGLIPLIRSA-N 356.488 2.319 0 40 FEAB C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CC1)c1ccc(C(F)(F)F)nc1 1121013167 SRKGRCWDJLFTNI-SECBINFHSA-N 367.331 2.448 0 40 FEAB O=C1NCCN1[C@@H]1CCCN(c2cc(N3CCc4ccccc43)ncn2)C1 644115222 KJFIUYIYWHRTHP-MRXNPFEDSA-N 364.453 2.165 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1F 648430301 KIWYTXVIVZQCKN-KSSFIOAISA-N 357.385 2.179 0 40 FEAB Cn1cncc1-c1cccc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)n1 585179640 WXRRWUPXMBRGOY-OAHLLOKOSA-N 354.454 2.300 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)O[C@H](C(N)=O)c3ccccc3)cn2)C[C@@H](C)O1 47864170 MKOCXKRCGFTYBC-LBTNJELSSA-N 369.421 2.079 0 40 FEAB O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1ccc2c(c1)OCCO2 45743754 KUKGTKNDLGGSDW-OAHLLOKOSA-N 374.462 2.263 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CCCCC1 1615188874 XUTCGRDKDFYLHQ-LJQANCHMSA-N 371.424 2.102 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(O)cc1 12902190 JWWYBIASQFBSGK-UHFFFAOYSA-N 351.362 2.066 0 40 FEAB biogenic O=C(O)COc1ccccc1/C=C1\NC(=S)N(Cc2ccco2)C1=O 13302730 TUXPOKXKXFWATI-JYRVWZFOSA-N 358.375 2.001 0 40 FEAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 14068151 OSBFJGOJBRIXCZ-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)c3cc[nH]c(=O)c3)s2)cc1OC 19561293 MRKZFWUPYKSQJG-UHFFFAOYSA-N 372.406 2.087 0 40 FEAB CC(C)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700884 XTAUYJCLZJRXQI-NRFANRHFSA-N 353.466 2.420 0 40 FEAB COc1cccc(N2CCN(C3CCN(C4CCOCC4)CC3)CC2)c1 245026563 NAHQQVUXSVZMBO-UHFFFAOYSA-N 359.514 2.461 0 40 FEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccccc2Cl)OCC1=O 1888863499 FJJQKERVEMXPQL-RTHVDDQRSA-N 362.857 2.263 0 40 FEAB CN(C)CCCC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840826 SLWOMNCZMXTIFJ-OAQYLSRUSA-N 373.497 2.143 0 40 FEAB CCOC(=O)c1c(SCC(=O)c2ccc(F)cc2)nc(=O)[nH]c1C 4317629 VFFJVAHPGMCEGE-UHFFFAOYSA-N 350.371 2.369 0 40 FEAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccc2ccccc2c1 4495811 YQEZUFYJZCSHIE-UHFFFAOYSA-N 371.418 2.402 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)c3ccoc3)CC2)c1 2055750820 BOGYZQFIHXDKDO-UHFFFAOYSA-N 371.437 2.463 0 40 FEAB O=C(Nc1nccs1)c1cn(Cc2ccccc2)cc2c(=O)[nH]nc1-2 42380732 RWDNUYAPSOQQEU-UHFFFAOYSA-N 351.391 2.433 0 40 FEAB Cc1nc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nc2)no1 44094246 ZNXJOPUVDMWCRC-UHFFFAOYSA-N 355.423 2.464 0 40 FEAB COc1ccc(NC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49483217 BTPCJDHUFXQQRI-UHFFFAOYSA-N 352.354 2.167 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575612027 IGINNKOJJUMGKH-XAVKZTDYSA-N 363.414 2.460 0 40 FEAB CC(C)N[C@@H]1C[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1c1cnc(-c2ccccc2)[nH]1 2332241831 PKJBXNYGILOFGU-QFHJOOASSA-N 368.481 2.186 0 40 FEAB COC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10400103 YVPPGQDWHMJOFC-GFCCVEGCSA-N 358.485 2.300 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)c2ccccc2)C1 40092052 LMXCHXMUMGLBRV-NVXWUHKLSA-N 352.500 2.358 0 40 FEAB CCNC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)c1 40071343 NSVDSMLGXJEUDR-HNNXBMFYSA-N 353.426 2.081 0 40 FEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 102144279 FBCMKFWBKKWECU-AYMQEEERSA-N 350.484 2.491 0 40 FEAB O=C1COc2cc(C(=O)NCc3ccccc3Cn3ccnc3)ccc2N1 32860047 IYPTURSECCHKRH-UHFFFAOYSA-N 362.389 2.192 0 40 FEAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1cccc(F)c1 32836702 SOMJMUZAJOBDDM-CYBMUJFWSA-N 364.442 2.408 0 40 FEAB Cc1cc2n(Cc3cc(=O)n4cccc(C)c4n3)c(=O)c3ccccc3n2n1 32810248 PREUMNVZCSFCPA-UHFFFAOYSA-N 371.400 2.322 0 40 FEAB Cc1ccccc1CN1CCCN(C(=O)Cn2nnc3ccccc32)CC1 32914581 JATLBNPFNXSYQH-UHFFFAOYSA-N 363.465 2.474 0 40 FEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ncccc2O)CC1=O 22263082 ZOMBKONMCZUYPY-SNVBAGLBSA-N 361.785 2.441 0 40 FEAB Cc1noc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 104300212 MMCSZOYPLDNVLY-MRXNPFEDSA-N 368.359 2.449 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 23174981 QSUIZMYLCKKGBE-UHFFFAOYSA-N 366.343 2.141 0 40 FEAB CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CCOC 4169145 ALJFUOPEVXVNPJ-UHFFFAOYSA-N 351.428 2.255 0 40 FEAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@H](c1ccccc1)N1CCCN21 100660642 XAXCJQGPSUHBLW-SQNIBIBYSA-N 351.381 2.361 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986737 MPKHZKXUMNPYQN-HOCLYGCPSA-N 359.451 2.074 0 40 FEAB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c1 6961977 IWXQPVACVOOLLZ-MHWRWJLKSA-N 353.378 2.403 0 40 FEAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)cc1Cl 8209199 XIHWEWNXWXEVNH-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298418 UYRCHTYFXSTMNQ-MJBXVCDLSA-N 374.514 2.381 0 40 FEAB biogenic,in-vitro CC(C)NC(=O)CCNC(=O)NCCOc1cccc(C(F)(F)F)c1 45573481 FFHHIDMVPNKVHB-UHFFFAOYSA-N 361.364 2.298 0 40 FEAB O=C(NCc1ccccc1)c1nc(COc2ccc3c(c2)OCO3)no1 20735117 GCYMIMQAAOEKFI-UHFFFAOYSA-N 353.334 2.307 0 40 FEAB NC(=O)NCc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 32883885 IMWRBHSEAOVPRC-UHFFFAOYSA-N 353.426 2.493 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 32909950 BWKNQBHPMQVJAB-UHFFFAOYSA-N 360.845 2.289 0 40 FEAB Cc1ccccc1CN1CCN(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 102843755 RHPTWVVVDFTTQB-RTBURBONSA-N 355.482 2.245 0 40 FEAB Cn1ccnc1CN1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 107243520 PFRRPCMROYPUSO-JXFKEZNVSA-N 374.460 2.279 0 40 FEAB Cc1[nH]c2nc(NC(=O)Cc3ccccc3)nn2c(=O)c1Cc1ccccc1 101809782 YYCLNJOWFPKEJW-UHFFFAOYSA-N 373.416 2.498 0 40 FEAB Cc1cccc(CCNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 60323229 COFQNABOWBEADK-UHFFFAOYSA-N 357.435 2.019 0 40 FEAB O=C(NS(=O)(=O)c1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 42243216 LCOHVNVALPVUPE-AWEZNQCLSA-N 367.448 2.425 0 40 FEAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)Cn1cccn1)C3 100215419 MESBAACWXIGJFA-UHFFFAOYSA-N 374.404 2.149 0 40 FEAB COC(=O)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 12296830 SXFSBQQHNHMCCR-UHFFFAOYSA-N 354.362 2.255 0 40 FEAB biogenic O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324701 JBHJVAQCJSXKNT-MRXNPFEDSA-N 360.435 2.396 0 40 FEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@@H]1c1ccccn1 55516524 MXUDCUAPZYHPKZ-QGZVFWFLSA-N 359.451 2.114 0 40 FEAB Cc1nc(NC(=O)CN(C)S(C)(=O)=O)sc1Cc1ccccc1F 55580147 LEPASUWEKKDOCP-UHFFFAOYSA-N 371.459 2.011 0 40 FEAB CCOc1ccc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc1OC 1457593 VQEYKIACBDIPAO-UHFFFAOYSA-N 361.394 2.237 0 40 FEAB O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 57391753 FQSMKSTXZFVNTL-LJQANCHMSA-N 373.453 2.221 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 47789038 ORHCKXBWDPVKAS-NSHDSACASA-N 361.427 2.407 0 40 FEAB CCCC[C@@H]1C[C@@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1819559 RDAGPFNTAQTVJC-BMIGLBTASA-N 356.517 2.357 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2cc(C)c3ccccc3n2)C1=O 12533348 GOLNXANYWXWJQF-GOSISDBHSA-N 372.450 2.387 0 40 FEAB CN(C)[C@@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1Cl 27347962 ZPPBPJKMSJLVMT-SFHVURJKSA-N 373.884 2.418 0 40 FEAB CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccc(OC)cc23)CC1 36007037 WIOJRANMTTWIKJ-UHFFFAOYSA-N 359.426 2.442 0 40 FEAB O=C(NCCC(=O)N1CCOCC1)c1cc2c(s1)CCCCCC2 48236069 JUXUGIHTINGCMD-UHFFFAOYSA-N 350.484 2.386 0 40 FEAB CCCn1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1=O 48312058 OJMPDGWOAXJAKO-UHFFFAOYSA-N 364.423 2.220 0 40 FEAB COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1 3465793 MJKJDMUIUZARJW-UHFFFAOYSA-N 371.422 2.410 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCSc2ccccc21 12903729 UABWPSJBETWIEE-OAHLLOKOSA-N 367.430 2.043 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 13013005 LSZSDLOFYIOHFW-UONOGXRCSA-N 352.456 2.295 0 40 FEAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 13358534 DDELGMCWQKSMIQ-UHFFFAOYSA-N 350.396 2.260 0 40 FEAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 14076837 FBIXVKTYCARPQY-XOBRGWDASA-N 373.453 2.157 0 40 FEAB CS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 14095180 BCYNTKUTTITRCS-LLVKDONJSA-N 364.389 2.303 0 40 FEAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 408999400 CQLAYWZXNFVFAW-ZVZYQTTQSA-N 354.406 2.498 0 40 FEAB COC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccccc1OC 409085397 XCAUUZGANVTUPI-UHFFFAOYSA-N 351.362 2.358 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccc(C)s1 14240786 RNTGXDNOVRDDPI-UHFFFAOYSA-N 361.423 2.392 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1F 6639703 RTYXVLXPTGTDRO-NSHDSACASA-N 361.398 2.200 0 40 FEAB CN(C)CCCn1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 15083277 NORQBSIYIIEAEW-UHFFFAOYSA-N 374.872 2.311 0 40 FEAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2nccs2)c1C 71327151 OSVCTYDYBSQVOZ-UHFFFAOYSA-N 374.401 2.382 0 40 FEAB O=C1CCc2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)ccc2N1 9221198 KGXDHYFVPYZVOW-UHFFFAOYSA-N 357.435 2.320 0 40 FEAB CC(=O)c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c(F)c1 9322222 YHSXLAXVTMIGMW-UHFFFAOYSA-N 366.400 2.331 0 40 FEAB COc1ccc2c(ccn2CC(=O)NCCCc2nnc3ccccn23)c1 95476692 MQIDPUPLNPNTMV-UHFFFAOYSA-N 363.421 2.442 0 40 FEAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 79309941 ZJNKHCSRBXBYQR-AWEZNQCLSA-N 372.343 2.233 0 40 FEAB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H]1c1cccc(F)c1 67384306 KWRQAJQNDXAOHW-JSGCOSHPSA-N 351.359 2.349 0 40 FEAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1nc2ncccn2n1 36618718 AVDWUHMGPDLSQE-UHFFFAOYSA-N 366.425 2.241 0 40 FEAB Cc1nn(C)cc1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 36611710 ZHXSRCARXVPLQE-UHFFFAOYSA-N 352.442 2.468 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3ccccc3n2C)ncn1 525213944 WRKNRICXOFRNFS-OAHLLOKOSA-N 364.453 2.409 0 40 FEAB Cc1ccccc1C(=O)NCCn1ncc2c(N3CCCC3)ncnc21 38483358 QZOIQVCSMRLGQP-UHFFFAOYSA-N 350.426 2.165 0 40 FEAB Cc1cncn(CC(=O)NCCc2csc(-c3ccccc3)n2)c1=O 70636883 BIVCPVUAUREVOH-UHFFFAOYSA-N 354.435 2.034 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)c1 32964264 WVBXERNEZLPMMC-UHFFFAOYSA-N 370.405 2.106 0 40 FEAB O=C(COc1ccccc1F)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679773 NUPVLPJVMJHFFN-OLZOCXBDSA-N 366.414 2.327 0 40 FEAB NC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 558923514 DUQZYCRCGDKZGY-UHFFFAOYSA-N 362.437 2.090 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 44893972 ZZCZHLMJVAXOGW-PVAVHDDUSA-N 365.433 2.247 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(=O)(=O)c2ccc(F)cc2)NC1 248134186 CBRVECYDAHLVGN-DVOMOZLQSA-N 368.478 2.105 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1 247866813 OXYVCWSJBYVMQU-GOSISDBHSA-N 352.394 2.041 0 40 FEAB Cc1nnc(N2CC3(C[C@H](COCc4cccnc4)CCN3C)C2)s1 248161902 YABUOBPRZKKGCJ-OAHLLOKOSA-N 359.499 2.359 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514319 CGAXNVHIDJRLBD-JZXOWHBKSA-N 363.410 2.026 0 40 FEAB Cn1cc(CNCc2cncn2C)c(-c2ccc3c(c2)OCCCO3)n1 585084886 DCSPQPMYXGEKKL-UHFFFAOYSA-N 353.426 2.272 0 40 FEAB O=C(C1CCOCC1)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1 257311991 ULYJEIJSBZDCAT-UHFFFAOYSA-N 368.441 2.143 0 40 FEAB CCc1nc(CN2CCC[C@@H](NC(=O)NC[C@H]3CCCC34CC4)C2)no1 623603931 AQCXDIDIUJHIAS-HUUCEWRRSA-N 361.490 2.476 0 40 FEAB O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCO[C@H](C(F)F)C1 606442462 DLGIMHKHDBAFHT-ZDUSSCGKSA-N 365.373 2.269 0 40 FEAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCCCc2ccco2)N1Cc1ccccc1 630649674 LLVLTZGRYDCQFW-ROUUACIJSA-N 356.422 2.446 0 40 FEAB C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)NC(=O)NC1CC1 56187665 OTBFYHCNKIYMGJ-ZDUSSCGKSA-N 354.410 2.449 0 40 FEAB O=C(c1cccnc1N1CCCCC1)N1CCN(c2nccs2)CC1 56323473 ZLMFUNASYNHFCZ-UHFFFAOYSA-N 357.483 2.491 0 40 FEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2c(F)cccc2F)CC1 85468222 NXFFABQXAAICDN-AWEZNQCLSA-N 351.441 2.453 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCOC3)nn2c1O 12161813 VJYMLSSVDYGGDF-XJKSGUPXSA-N 358.442 2.396 0 40 FEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccn1 12668068 SMPIJNJNFXARQS-CYBMUJFWSA-N 358.467 2.289 0 40 FEAB Cc1c(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cnn1C 12669123 UYTCNYODORKUFM-UHFFFAOYSA-N 352.398 2.193 0 40 FEAB CN(CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 13048914 VLPWRKIYBBFQGM-UHFFFAOYSA-N 361.467 2.314 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(-n3cnnn3)c2)c1 14733916 DPZGNBLMPXHPPO-CYBMUJFWSA-N 351.366 2.271 0 40 FEAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC(CCN2CCOCC2)CC1 19717392 KQHXEGUEWYXRKM-UHFFFAOYSA-N 369.469 2.046 0 40 FEAB O=C(Nc1ccccn1)[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19747801 QYJYNPYTTDYECL-LBPRGKRZSA-N 353.407 2.187 0 40 FEAB COc1ccc(CC2CCN(C(=O)c3ccnc4c3nnn4C)CC2)cc1 549084477 WGSWGELNWCGSJR-UHFFFAOYSA-N 365.437 2.467 0 40 FEAB Cc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 3322731 QZILXOWBWKIMBU-UHFFFAOYSA-N 372.421 2.202 0 40 FEAB CCOC(=O)c1c(C)n(CCN2CCN(C)CC2)c2ccc(OC)cc12 19530705 JRYZLOINKNIRJT-UHFFFAOYSA-N 359.470 2.382 0 40 FEAB O=C(C1CC=CC1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863780 PFPKINYENWLHQZ-CYBMUJFWSA-N 353.426 2.195 0 40 FEAB COc1ccccc1CC(=O)N1CCC[C@H](N(C)c2ncc(C)cn2)C1 1889149114 OEJOUKBXLGPSQJ-KRWDZBQOSA-N 354.454 2.464 0 40 FEAB O=C(CCc1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 22190894 WJVLPHOLRBOGNR-UHFFFAOYSA-N 364.423 2.341 0 40 FEAB COc1ccc(C)cc1CN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1 23702690 MPRXUYBJOIZFLU-UHFFFAOYSA-N 355.438 2.492 0 40 FEAB Cc1nnc([C@H]2C[C@@H](O)CN2C(=O)CCN2c3ccccc3CC[C@H]2C)o1 1775959312 VBUQZVGZQCWPBK-MZMPZRCHSA-N 370.453 2.244 0 40 FEAB Cc1c(Cl)cccc1S(=O)(=O)NCC1(N2CCOCC2)CCC1 1776009369 XOCTYNCIDPHFCV-UHFFFAOYSA-N 358.891 2.182 0 40 FEAB CCc1cc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)no1 2037984562 FXHLBDZUNKLDRP-FQEVSTJZSA-N 369.421 2.133 0 40 FEAB Cc1cc(C)nc(N2CC[C@H]3C[C@H](CN4C[C@H](C)O[C@@H](C)C4)O[C@H]3C2)n1 2056225267 HFXXEHIEBSOOMB-FKSLSLAPSA-N 360.502 2.186 0 40 FEAB C[C@]1(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)CC=CCC1 1565542701 WDVJDFZCZVSIGR-TYCQWZJGSA-N 369.465 2.172 0 40 FEAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1cccc(C)c1)C(=O)O 5257689 XFANRKLBKHQOIO-KRWDZBQOSA-N 371.437 2.487 0 40 FEAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1 11612620 BTBFJZFWVCPAHC-KRWDZBQOSA-N 373.478 2.331 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccc(F)cc2)C1 2055747258 QJLDCWDRYOAKPX-FQEVSTJZSA-N 373.403 2.337 0 40 FEAB O=C(CCc1ccccc1F)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750849 DVFROGNIXAMQSP-WOJBJXKFSA-N 369.440 2.265 0 40 FEAB O=C(c1ccc2nsnc2c1)N1CCC(COc2ncccn2)CC1 1775969705 HFOACICDDXYOFF-UHFFFAOYSA-N 355.423 2.413 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(F)cc4)[C@@H]3C2=O)cc1 101167316 RLFFRZCLUNYEQL-HOTGVXAUSA-N 354.341 2.328 0 40 FEAB Cn1cc(-c2cncc(CNC(=O)c3ccc4nsnc4c3)c2)cn1 575616450 MHPOFMANEAVVMN-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB COc1cccc(N2C[C@H](C(=O)NCCCN3CCCCC3)CC2=O)c1 40059599 HDKFFDRMUCZBIU-MRXNPFEDSA-N 359.470 2.040 0 40 FEAB CCn1ncc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc21 1649690 JXCXMCBUNMJMKW-UHFFFAOYSA-N 359.187 2.012 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@H](O)c1ccccc1)C(=O)C2 101220836 RHOJAMIIWCJSIK-RLFYNMQTSA-N 351.468 2.035 0 40 FEAB CC(C)[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)Nc1cccc2ncccc12 51570616 WCFXFALKVQYQNG-UGSOOPFHSA-N 369.421 2.267 0 40 FEAB O=C(OC[C@@H]1O[C@@H]2[C@H]1O[C@@H]2COC(=O)c1ccccc1)c1ccccc1 4831410 KCTPRDJBGDNUES-MHORFTMASA-N 354.358 2.235 0 40 FEAB CCCCCCOC[C@H](O)CNC(=S)NC(=O)c1ccc(OC)cc1 4844009 IEJTXIXIZRCVIX-OAHLLOKOSA-N 368.499 2.257 0 40 FEAB CCN(C)S(=O)(=O)c1csc(C(=O)Oc2ccc3c(c2)OCO3)c1 6680393 LAJGKYIAVARKMU-UHFFFAOYSA-N 369.420 2.336 0 40 FEAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 7216567 IJSNEDCOCFGVMU-INIZCTEOSA-N 373.540 2.426 0 40 FEAB COc1ccccc1CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 32699580 GFKPSJQKTUZHKA-UHFFFAOYSA-N 357.801 2.297 0 40 FEAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)c1 101276084 JMZALDVJYPKDOO-HNNXBMFYSA-N 356.378 2.456 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102205015 XIVFNRSMSOWCTK-VDQHWBOFSA-N 356.850 2.342 0 40 FEAB O=C(CN1CCCc2cccc(F)c21)N1CCN(c2ccccn2)CC1 32906863 LICBWTVTUVKSOU-UHFFFAOYSA-N 354.429 2.322 0 40 FEAB O=S(=O)(CCn1nnc(-c2ccc(Cl)cc2)n1)Oc1ccccc1 16119857 HPNYSSBXXRWCLU-UHFFFAOYSA-N 364.814 2.402 0 40 FEAB CC(C)c1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 2745856 XGNUYTAYRIGJJQ-UHFFFAOYSA-N 361.456 2.368 0 40 FEAB COCCn1c(SCC(=O)NC2CCCC2)nc2ccsc2c1=O 57425724 LULATLHFGXJDGA-UHFFFAOYSA-N 367.496 2.255 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2nnc3n2CCC3)c1 24426723 SCEVFOURBWGXKY-UHFFFAOYSA-N 359.411 2.297 0 40 FEAB C[C@@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1 24680132 SPDMKEZFUNPPAA-TZMCWYRMSA-N 370.540 2.417 0 40 FEAB O=C(CCc1nc(-c2ccco2)no1)NCc1ccnc(-n2cccn2)c1 106022378 BZMZJKYNNDWWJC-UHFFFAOYSA-N 364.365 2.159 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(=O)n2c(C)csc2n1 106061559 RHADBZSPOIPCNF-SNPRPXQTSA-N 361.467 2.371 0 40 FEAB CN(C)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cn1 12351658 WOEKTJVIQZVSGK-UHFFFAOYSA-N 352.394 2.163 0 40 FEAB Cc1noc(C)c1COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 25315135 JYMWGTSGIDJEKF-UHFFFAOYSA-N 369.377 2.284 0 40 FEAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1 44782765 KGBJAHXLNOUIMA-SFHVURJKSA-N 364.442 2.178 0 40 FEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccn(-c4cccc(F)c4)n3)ccc21 58217681 OUUCJEFHWRKTBL-UHFFFAOYSA-N 365.368 2.454 0 40 FEAB CC[C@@](C)(NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)OC 58210081 BBHLZIPRWVRCNX-OXQOHEQNSA-N 360.454 2.305 0 40 FEAB COc1ccc(COC[C@@H](O)CNC(=O)Cc2c[nH]c3ccccc23)cc1 58292166 UCIRGVSHFRZXOB-KRWDZBQOSA-N 368.433 2.413 0 40 FEAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCC(=O)O)ccc12 2125346 BYRZUFLAIAGTSN-GFCCVEGCSA-N 361.394 2.494 0 40 FEAB biogenic O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C1=COCCO1 10500153 ZXUFUAOIARJHCN-UHFFFAOYSA-N 373.434 2.473 0 40 FEAB C[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCO1 36391765 ARBQBVGLAKOPLX-VBKZILBWSA-N 353.422 2.285 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 12684356 LZTQVIOXYFICJG-UHFFFAOYSA-N 358.463 2.072 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 3334110 WXWAEKGUDCKITB-KRWDZBQOSA-N 359.403 2.089 0 40 FEAB CC(C)Nc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 3383325 RNNBUFRKHAMPOI-UHFFFAOYSA-N 357.486 2.250 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 12893457 FNOCUTVKFQNGGM-PXAZEXFGSA-N 364.442 2.359 0 40 FEAB biogenic C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 8136561 GHPOPCLWACZTSR-NSHDSACASA-N 370.833 2.462 0 40 FEAB COc1ccccc1OCCNC(=O)CCS(=O)(=O)c1ccccc1 3406425 DTCPKQVSUPBNFL-UHFFFAOYSA-N 363.435 2.054 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 13031826 LVPVUAOFLUAXGB-BPUTZDHNSA-N 351.424 2.296 0 40 FEAB COc1ccc(-n2c(C)nn(CCOc3ccccc3)c2=O)c(OC)c1 4089204 RQENHZHPPPUIBO-UHFFFAOYSA-N 355.394 2.439 0 40 FEAB O=C(COc1ccc(-c2nnco2)cc1)NCc1ccc2c(c1)OCO2 6083030 MZGVQOYTTQOFBR-UHFFFAOYSA-N 353.334 2.161 0 40 FEAB NC(=O)c1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 6471999 XPKFYOVCHNIQFG-UHFFFAOYSA-N 368.176 2.283 0 40 FEAB CCCCOCCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 17441855 SIJBSELCPNAONU-UHFFFAOYSA-N 368.499 2.335 0 40 FEAB O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1cnccn1 6757332 IKYBCBRZPYDJEB-UHFFFAOYSA-N 360.417 2.155 0 40 FEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 7007025 MUYACMIQGWCTDL-LJQANCHMSA-N 372.377 2.432 0 40 FEAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 8984564 APBCLBYGKFAAQO-UHFFFAOYSA-N 361.250 2.454 0 40 FEAB CNC(=O)C(=O)NCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 8944972 XFMAHDPZVYNFGW-UHFFFAOYSA-N 371.462 2.255 0 40 FEAB COc1cccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1 9048448 ZDDCDWGXOANLAK-UHFFFAOYSA-N 357.801 2.442 0 40 FEAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 306139953 UFDLKTMUDONVGS-RBSFLKMASA-N 363.508 2.390 0 40 FEAB CC(C)C(=O)N1CC[C@@H](NC(=O)CCc2nc(-c3ccccc3)no2)C1 89775614 QDFICRUEXPOHJK-OAHLLOKOSA-N 356.426 2.042 0 40 FEAB CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)nsc32)cc1 72400661 FJTUUZYPOUJHPZ-VIFPVBQESA-N 352.393 2.368 0 40 FEAB COc1cccc(CNC(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 75801386 XIXABCRSILIXSO-UHFFFAOYSA-N 360.458 2.128 0 40 FEAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H]2C(N)=O)n(-c2ccccc2)n1 72700781 PKULEJPBYGOYHB-OAHLLOKOSA-N 369.469 2.058 0 40 FEAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)cc1 551037937 WQFIBHXAGVNSIB-UHFFFAOYSA-N 372.450 2.357 0 40 FEAB COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 408624422 TVVMDEWMTFGKFR-UHFFFAOYSA-N 372.402 2.371 0 40 FEAB COc1ccc(NC(=O)CCSc2ccc3nncn3n2)c(OC)c1 72402706 QAGIXZCXCJIXNC-UHFFFAOYSA-N 359.411 2.262 0 40 FEAB O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648961 TZBZYQCXKZBVEK-BZFUBLJMSA-N 361.803 2.126 0 40 FEAB C[C@H]1CCCCN1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373069 PGKPIPGUSCGULC-IRXDYDNUSA-N 372.513 2.160 0 40 FEAB CN(C)CCCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398309 JENCDGRXTROIHY-UHFFFAOYSA-N 366.400 2.197 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CC[C@H]([C@H]2CCOC2)C1 333102935 VQURMSWLIOTTGD-IRXDYDNUSA-N 354.454 2.483 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1C 582647335 RPNNOIOSQKIJPD-JTQLQIEISA-N 371.440 2.022 0 40 FEAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](Oc1ncccc1F)CO2 96107039 JCLSXLNGPLMOOZ-CQSZACIVSA-N 359.401 2.402 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1cccnc1)C2 96238043 NAZVJSLTTPJBIC-HXUWFJFHSA-N 354.429 2.144 0 40 FEAB O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247870048 QGMSPTQVEPRWPU-CQSZACIVSA-N 368.466 2.048 0 40 FEAB CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@H]1CCCO1 583623758 HNVAMJXOCCCKED-VXGBXAGGSA-N 360.380 2.285 0 40 FEAB CC(C)C(=O)NCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248160818 LDPBFAZFDPTTOQ-MRXNPFEDSA-N 370.453 2.331 0 40 FEAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257242272 IBTLCPBSPSMNBF-IBGZPJMESA-N 352.438 2.286 0 40 FEAB COC(=O)CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257214044 CKGZEZPCJRTVEH-UHFFFAOYSA-N 368.433 2.377 0 40 FEAB C[C@@H](CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 260846289 KPYAMAGFBKXGQM-KBXCAEBGSA-N 374.462 2.134 0 40 FEAB O=C(NCCC(=O)N1CC[C@@H](n2ccnn2)C1)c1ccc2ccccc2c1 640503461 QGRFYWKXHQOJLS-GOSISDBHSA-N 363.421 2.025 0 40 FEAB COc1cc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc(OC)c1 36596309 KMQDREOQHWNBCR-MRXNPFEDSA-N 369.377 2.433 0 40 FEAB biogenic COc1ccccc1CNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 298131580 YEASIGDKRMLKKJ-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB COc1ccc(OC)c(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1 585293565 ZWOYLKKXGGRJIT-QWFCFKBJSA-N 361.413 2.164 0 40 FEAB COc1ccc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)cc1 585112117 LOKKVTJKXPXRJI-SFHVURJKSA-N 369.469 2.254 0 40 FEAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1nccs1 75165335 DHJVHBDHZLPWJY-UHFFFAOYSA-N 361.349 2.363 0 40 FEAB CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 83927599 OPHXHMCQRYUNBX-LBPRGKRZSA-N 368.389 2.485 0 40 FEAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)CC1CCCC1 1556331667 OJINYYKDNDNJDY-KBPBESRZSA-N 358.504 2.354 0 40 FEAB O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)CO[C@H](F)[C@@H]1O)c1ccccc1 5664889 MXKSZVULZXDWHM-VQHPVUNQSA-N 360.337 2.124 0 40 FEAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5920464 VREJMCQQECSVGS-CJNGLKHVSA-N 355.394 2.009 0 40 FEAB CCN(CCN(C)C)C(=O)Cc1sc(N)nc1-c1ccc(OC)cc1 12222122 PTPIKWLLSVSUSC-UHFFFAOYSA-N 362.499 2.354 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)c1 12441562 GTJQUOBZNZKQKG-KRWDZBQOSA-N 363.435 2.466 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)s1 14167501 FZSBSXDPZJICBY-UHFFFAOYSA-N 356.494 2.265 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 18063852 WOQHHZAMGVZBHM-ZDUSSCGKSA-N 371.220 2.422 0 40 FEAB Cc1csc2c([C@@H]3CCCN(C(=O)CCn4cncn4)C3)nc(C)n12 19240418 PSRNBQOJJIJWML-CQSZACIVSA-N 358.471 2.400 0 40 FEAB Cc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19287721 KGEIYZVEPHYQIF-RDTXWAMCSA-N 368.485 2.017 0 40 FEAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CN1CCOCC1 19288478 RLXUYDVKRCTESJ-TZWRJOPASA-N 374.440 2.168 0 40 FEAB CN1CCN(Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccccc2)C1 19664395 BFUKLFFOAKQICV-GOSISDBHSA-N 358.511 2.468 0 40 FEAB O=C([C@H]1CC=CCC1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759194 WOFOPHFMTICRKH-AWEZNQCLSA-N 353.422 2.210 0 40 FEAB CN(CC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)C(=O)c1cccc(O)n1 643586323 ZUUFAXMNZXNHPL-LSBZLQRGSA-N 356.422 2.468 0 40 FEAB O=C(CSc1nncn1C1CC1)Nc1cccc(C(=O)NC2CC2)c1 10649758 MYSRFCKFZWYTRK-UHFFFAOYSA-N 357.439 2.236 0 40 FEAB C[C@@H](Nc1nc(O)c2cnn(C3CCCC3)c2n1)C(=O)N1CC[C@H](F)C1 1772768813 HOQGZKUBNCAZBE-MNOVXSKESA-N 362.409 2.018 0 40 FEAB O=C(c1cc[nH]c1)N1CCO[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 1565544278 CXJUUTTXZBJESI-KRWDZBQOSA-N 374.404 2.333 0 40 FEAB O=C(c1csnn1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1565553232 PJJMSVGMVZFIJW-UHFFFAOYSA-N 367.434 2.334 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522870 UPEAWECGEUJGQM-OAHLLOKOSA-N 358.504 2.336 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccccc1 2068948 AVPPGYOVZXWLJE-UHFFFAOYSA-N 366.167 2.198 0 40 FEAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2Cl)CC1 2055746355 SNXSYUXOCIYSEO-UHFFFAOYSA-N 361.877 2.266 0 40 FEAB Cc1ccsc1CN1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 2055814253 YTKCLLNMCMNFNC-IBGZPJMESA-N 356.495 2.375 0 40 FEAB O=S(=O)(NC1CCN(Cc2cccc(Br)c2)CC1)C1CC1 416645262 JOFXEDPTWXMPKR-UHFFFAOYSA-N 373.316 2.495 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 24477043 QKIHMVOIHPVJHD-UHFFFAOYSA-N 360.421 2.485 0 40 FEAB COCCN(C(=O)c1nn(-c2ccc(C)cc2C)nc1C)[C@@H](C)COC 40157004 HEOGHHKVZKCVDM-HNNXBMFYSA-N 360.458 2.316 0 40 FEAB COCC(=O)N1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 40122347 WDYAAYXUYPEACD-UHFFFAOYSA-N 359.253 2.243 0 40 FEAB O=C(COc1cccc(Br)c1)Nc1cccc(-n2cnnn2)c1 7646231 ARFZBHDJPGTQOY-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB COC(=O)c1cc(Br)c(=O)n(-c2ccc(N(C)C)cc2)c1 2396821 IULWJSQVRMMNCG-UHFFFAOYSA-N 351.200 2.453 0 40 FEAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 36686385 QPYHMUVEQIYUBS-UHFFFAOYSA-N 371.403 2.380 0 40 FEAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 4335284 RTZBSGKXRRUKJJ-UWVGGRQHSA-N 352.359 2.239 0 40 FEAB C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)[C@@H]1C 4476598 GICAROFGRONRGO-NOAAKOMESA-N 357.454 2.395 0 40 FEAB O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CCCC1 4973412 ZFMCWYHKNLMQDH-UHFFFAOYSA-N 372.425 2.218 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccccc1OC 7035282 XSKUSPXHXRTSER-UHFFFAOYSA-N 357.362 2.206 0 40 FEAB CCNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)OC)cc1)c1ccccc1 7224049 FWKYZYSWHDYCTL-MRXNPFEDSA-N 355.394 2.472 0 40 FEAB CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 7487144 WQIZWXFQRUSRKK-UHFFFAOYSA-N 362.433 2.448 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 7813647 DKWLPLWZEPRHHS-UHFFFAOYSA-N 362.332 2.185 0 40 FEAB NC(=O)N[C@@H](CC(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1F 32796968 AGKHKKBPHVQHPS-HNNXBMFYSA-N 368.372 2.145 0 40 FEAB Cc1ccc(F)c(CN2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)c1 108528684 VKUFBLSGEVPOIF-OALUTQOASA-N 370.428 2.040 0 40 FEAB CC(C)Cn1c(SCC(=O)NCc2ccco2)nc2ncccc2c1=O 32893289 MLESUHUGSHBCMC-UHFFFAOYSA-N 372.450 2.449 0 40 FEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(F)c1 46171624 VJDYYOCQJODWGI-KRWDZBQOSA-N 364.442 2.342 0 40 FEAB O=C(NCc1coc(-c2cccs2)n1)c1cnc2ccccn2c1=O 32900225 KSZIOTRUUSZCSZ-UHFFFAOYSA-N 352.375 2.341 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@@H](c2cc3nc(C)c(C)c(O)n3n2)C1 100137690 NJYUXUFLCRJLAP-GFCCVEGCSA-N 372.454 2.231 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C1 42385767 XMEAESVNXWXJBW-SJLPKXTDSA-N 363.477 2.439 0 40 FEAB CCN1C(=O)c2cccc3c(S(=O)(=O)NC[C@H]4CCCO4)ccc1c23 956878 PNPKACKWOIISBC-GFCCVEGCSA-N 360.435 2.277 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1F 57115891 UEPRGNLEZMUBBH-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccs1 35335103 DHWDCEVWVLNQSS-LBPRGKRZSA-N 356.451 2.294 0 40 FEAB COc1ccc([C@@H]2CCCN2CCn2nc3ccccn3c2=O)c(OC)c1 26908135 FPLNSUPZDMZYQV-KRWDZBQOSA-N 368.437 2.350 0 40 FEAB CCCN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(CCN1CCCC1)C2=O 57531498 BRTWOXVPLSFKRR-IBGZPJMESA-N 368.481 2.355 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(Cl)cn2)CC1 27913467 HUGUGCNIRDDBDP-UHFFFAOYSA-N 367.833 2.255 0 40 FEAB CC(=O)c1cccc(O[C@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c1 57997092 VUHVYYHPJJYIEL-OAHLLOKOSA-N 368.437 2.232 0 40 FEAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)c12 58224257 JJRSHOBWAKBHDL-INIZCTEOSA-N 364.405 2.235 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)CCOc2cccc(F)c2)CC1 58265191 SYSDXEVCSQHERP-UHFFFAOYSA-N 360.385 2.481 0 40 FEAB CC(C)(C)OC(=O)N1CC2(CN(Cc3ccccc3)C[C@@]23CCNC3=O)C1 91302736 YYTYMYGTGJNQSG-OAQYLSRUSA-N 371.481 2.246 0 40 FEAB Cc1ccnc2nc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)nn12 3355201 LVTINAWANVXHGI-UHFFFAOYSA-N 353.382 2.031 0 40 FEAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CC(=O)N1CCCc2ccccc21 3335633 ICXSUVUCRQLABH-QGZVFWFLSA-N 363.417 2.129 0 40 FEAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)sc2n1 62580125 HKSNZDREMIOSBZ-KGLIPLIRSA-N 360.483 2.210 0 40 FEAB Cc1nc(C)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)s1 3422460 GIKRMLRJKZJZKC-UHFFFAOYSA-N 359.451 2.266 0 40 FEAB COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1 3448807 XFWMXMTVAJQBQG-OAHLLOKOSA-N 362.451 2.456 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 12995253 BXQHVLKYISTGGY-SFHVURJKSA-N 374.462 2.029 0 40 FEAB CCCCN(C)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13011992 HMEITNSVGJUNCI-HNNXBMFYSA-N 351.472 2.008 0 40 FEAB Cc1ccc(NC(=O)c2ccc3nccnc3c2)cc1S(=O)(=O)N(C)C 8343606 GHHGAARCXUBDAT-UHFFFAOYSA-N 370.434 2.441 0 40 FEAB NC(=O)NCc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 63661382 DBCJUFMSALVOSU-SFHVURJKSA-N 352.438 2.458 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 6078961 GSOAIPWUJGFXHT-GUYCJALGSA-N 368.437 2.032 0 40 FEAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 65071725 QNLZMNXZVLINOR-UONOGXRCSA-N 373.453 2.390 0 40 FEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 408924559 JXVGTQOSTIBMMA-GFCCVEGCSA-N 362.407 2.209 0 40 FEAB C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-n2cncn2)cc1 5246004 IKWBLLGPXHBZAF-CYBMUJFWSA-N 374.404 2.005 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1COc2ccccc2O1 5512603 LAXAGXFJPVEYOU-CQSZACIVSA-N 369.345 2.461 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 6638306 PUUZTYITPAQEOY-ZBFHGGJFSA-N 366.483 2.016 0 40 FEAB CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 6626579 URZVGLSCVJBUOJ-INIZCTEOSA-N 371.359 2.158 0 40 FEAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15197520 DWFJJVAJUFQPEO-CYBMUJFWSA-N 363.435 2.355 0 40 FEAB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)n1nnc(C(=O)OC)c1C(=O)OC 4969639 ZUTBSVGWNZXKME-CYBMUJFWSA-N 374.397 2.058 0 40 FEAB CCCN1CCc2nc(SCC(=O)NC3CCCCC3)nc(O)c2C1 67291686 TZZSSRLEBLPRHP-UHFFFAOYSA-N 364.515 2.491 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccccc2C(N)=O)c1 7242338 GEJOXVWLKGWACN-GFCCVEGCSA-N 358.394 2.059 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc2cccnc12 9548336 QXPKCWOGTGBKHG-UHFFFAOYSA-N 352.394 2.428 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c2cccnc12 97012917 HIVZAFAJRKKHOV-MRXNPFEDSA-N 372.450 2.039 0 40 FEAB O=C(NC1CC1)c1ccc(NCc2ccc(-n3ccnc3)c(F)c2)nn1 97105143 BZDIJQOVNJQNJF-UHFFFAOYSA-N 352.373 2.306 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2cccc(C)c2)cc1OC 72331178 ZVTGHNFICYNDEB-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB O=C(NCCCc1nnc2ccccn12)c1ccc2c(c1)OCCCO2 72406113 OUSDDNBHPQQWNV-UHFFFAOYSA-N 352.394 2.253 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)c1 95398722 FPUQKTACJFQLGR-UHFFFAOYSA-N 360.391 2.011 0 40 FEAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CC1=O 95349580 ISPSADXAEWNFEC-ZBFHGGJFSA-N 358.438 2.500 0 40 FEAB CS(=O)(=O)N1CCC(NC(=O)CCCc2c[nH]c3ccccc23)CC1 61720247 OCOXFCUOTYYZPZ-UHFFFAOYSA-N 363.483 2.031 0 40 FEAB O=C(NCc1ccc2ccccc2c1)N1CCC[C@@](O)(Cn2ccnn2)C1 516985490 LRRZSUSYHDRQDP-FQEVSTJZSA-N 365.437 2.168 0 40 FEAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1nnc2ccccn12 72403227 VDXDARRTOOELIW-UHFFFAOYSA-N 352.423 2.257 0 40 FEAB CCOc1cccc(C(=O)N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)c1 557100073 BQAUSMNFQJMBRH-MRXNPFEDSA-N 365.437 2.763 0 40 FEAB COc1cccc2cc(C(=O)N3CC4(COC(C)(C)OC4)C3)c(=O)oc12 70971893 VMFUBJWZNVRQDT-UHFFFAOYSA-N 359.378 2.027 0 40 FEAB biogenic COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 44586192 RHCWOXUZYGVEPI-OAHLLOKOSA-N 373.236 2.041 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 223303199 CWSMBBCJBVEXBA-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB COc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 223679895 IEHXYOKBMYPJPA-UHFFFAOYSA-N 362.451 2.404 0 40 FEAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)[nH]1 223163501 HYLRDCCUTCLVBQ-MSOLQXFVSA-N 371.510 2.023 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 75165401 DWTMKNXVUZFRCT-VIFPVBQESA-N 362.333 2.052 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225659783 YVYDJHUOKJRKGZ-JTQLQIEISA-N 354.457 2.176 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1noc(-c2ccc3c(c2)OCO3)n1 96125465 AYSARIVAOJOTLZ-UHFFFAOYSA-N 367.317 2.124 0 40 FEAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)Nc2nc3c(s2)CCC3)C1=O 97531320 HPXOQBFRRJSZNK-SNVBAGLBSA-N 370.434 2.310 0 40 FEAB biogenic O=C(c1cccnc1)N1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C1 96182248 CRSMLNXZVDIISG-CALCHBBNSA-N 351.406 2.014 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3cccnc3)C[C@H]2C(=O)O)o1 96198763 MHLKDYCYXXXFBB-HOTGVXAUSA-N 357.410 2.173 0 40 FEAB Cc1nn(C)c(C)c1C(=O)NCc1nnc2c(C(F)(F)F)cccn12 238871967 NCYHEUPPCUUQCP-UHFFFAOYSA-N 352.320 2.028 0 40 FEAB Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257243465 IHBVQRNZBQIWPV-HNNXBMFYSA-N 361.423 2.247 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]1c1ccccc1 257272248 NBPWQQVJRPDDHQ-WBVHZDCISA-N 366.408 2.480 0 40 FEAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)Cn2ccnc2)n1 257283583 OYXHIFGJSOASDL-HNNXBMFYSA-N 352.398 2.309 0 40 FEAB O=S1(=O)CCC2(CC1)C[C@@H]2c1nc(Cc2ccc3c(c2)CCO3)no1 1117591634 XWXUDIHRVVJHBG-CQSZACIVSA-N 360.435 2.278 0 40 FEAB COc1cccc([C@@H](NC(=O)c2cnn(C3CCOCC3)c2C)C(=O)O)c1 659173116 BDBIKKOKCCQUPR-QGZVFWFLSA-N 373.409 2.107 0 40 FEAB COc1ccccc1N1CC[C@H](CNC(=O)N2CC3(CCCOC3)C2)C1 672810015 LOHPARSEDSCLJZ-MRXNPFEDSA-N 359.470 2.344 0 40 FEAB COc1cc(C)c([C@H](C)NC(=O)N[C@]2(C(=O)O)CCSC2)cc1OC 581287651 HLILOMYVRYMNQC-APPDUMDISA-N 368.455 2.333 0 40 FEAB CCCCS(=O)(=O)N1CC[C@H](CNc2ncnc3c(C)csc23)C1 585080311 HCYAVTBRUPABCX-CYBMUJFWSA-N 368.528 2.863 0 40 FEAB CCC(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1616030532 CFLYJIVAWYRRKU-MRXNPFEDSA-N 355.276 2.211 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 12183467 UAQAKPFKUGQDIA-IYBDPMFKSA-N 371.481 2.390 0 40 FEAB Cc1nc(N)sc1C(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 12222919 UCPVCAOQOSKLLC-UHFFFAOYSA-N 370.438 2.499 0 40 FEAB O=C(CCC(=O)c1ccccc1)Nc1cccc(C(=O)Nn2cnnc2)c1 14405869 JZIROZAJHVUXKX-UHFFFAOYSA-N 363.377 2.264 0 40 FEAB O=C(c1ccco1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 15675897 MJGYUCBACJBWKM-AWEZNQCLSA-N 362.349 2.388 0 40 FEAB biogenic,in-vitro CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)C(C)C)c2)CC1 19698134 YGURCBRXCGFRBC-IBGZPJMESA-N 358.486 2.378 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 19936832 TUCMJUIZXQLIQW-UHFFFAOYSA-N 358.419 2.361 0 40 FEAB C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F 554613242 UDXWGLTYOUOAJU-WBMJQRKESA-N 357.385 2.197 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)NCC1(N2CCSCC2)CCOCC1 1888846815 WGFCTZASKRNBQV-MRXNPFEDSA-N 364.511 2.168 0 40 FEAB Cc1cn2nc(OCC3CCN(C(=O)c4cccc(O)n4)CC3)ccc2n1 1888879277 PVVHOCQFWVWCLL-UHFFFAOYSA-N 367.409 2.070 0 40 FEAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1C 1888906428 RHWUXXXMLFDBKV-UHFFFAOYSA-N 366.473 2.384 0 40 FEAB CSc1ncc(Br)c(N(C)C2CN(c3cnccn3)C2)n1 1889101371 DGJUSMIPRACSET-UHFFFAOYSA-N 367.276 2.076 0 40 FEAB CCOc1nccn2c(CNC(=O)c3cc(-c4cccs4)on3)nnc12 244970269 HQHCDMJSEWFVLJ-UHFFFAOYSA-N 370.394 2.170 0 40 FEAB Cc1cc(OCC2CCN(c3cc(=O)n4ccccc4n3)CC2)ncn1 1565519448 OXKJNMRVJIQHMU-UHFFFAOYSA-N 351.410 2.088 0 40 FEAB O=C(c1cccc(Cl)n1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565552900 CAOBTAKIUCAJDC-AWEZNQCLSA-N 359.861 2.300 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 1565541937 WLBVAJIKCHOECA-HXUWFJFHSA-N 361.461 2.309 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713904 YGBHADRLFOZXCX-CQSZACIVSA-N 372.494 2.450 0 40 FEAB O=C(c1cccc2ccccc12)N1CCN(c2ccc3nncn3n2)CC1 36704258 MCVJUSBZMPGBOD-UHFFFAOYSA-N 358.405 2.240 0 40 FEAB Cc1noc(C)c1Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 40287041 QJEHVFZRSYLETP-UHFFFAOYSA-N 359.773 2.340 0 40 FEAB O=C(Cc1n[nH]c2ccccc12)Nc1ccc(C(=O)N2CCOCC2)cc1 50583429 XIULTMGEDANZBI-UHFFFAOYSA-N 364.405 2.217 0 40 FEAB CCCc1c(C(=O)OCC(=O)N2CCC(C)CC2)[nH]c(C)c1C(=O)OC 52057581 HYUJCJBWVDUHHC-UHFFFAOYSA-N 364.442 2.478 0 40 FEAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 810951 VPWPEAAWIZYTQC-AWEZNQCLSA-N 368.499 2.401 0 40 FEAB CC(C)C[C@H](c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1 4873222 HZJXQLCZOVYAIR-QGZVFWFLSA-N 356.474 2.006 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CNC(=O)C1CCCCC1 7563238 ILUMZBXXZWPLRK-ZDUSSCGKSA-N 362.426 2.262 0 40 FEAB Cc1ccc2ncccc2c1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 100779042 NUTLRXPSTQSKSE-UHFFFAOYSA-N 362.393 2.154 0 40 FEAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 2701608 UPUJMJBKVKKHFS-HUBLWGQQSA-N 360.332 2.121 0 40 FEAB Cc1cc(NC(=O)c2nc3nccc(C)n3n2)ccc1N1CCCC1=O 10957721 WDKXGGYVZPTFIV-UHFFFAOYSA-N 350.382 2.120 0 40 FEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N(C)C)nc1 22395036 QKYVMFXPWLZUHA-LJQANCHMSA-N 354.454 2.470 0 40 FEAB NC(=O)N1CCCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 104379475 SPSOQAIDFLKAST-UHFFFAOYSA-N 354.410 2.446 0 40 FEAB NC(=O)CSCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 23083017 KOFLDIJOJFSJEW-CQSZACIVSA-N 364.467 2.120 0 40 FEAB Cc1cccc2nc(C(=O)NCC3(N4CCOCC4)CCCCC3)cn12 23702940 SBYVZVBHMWVEOR-UHFFFAOYSA-N 356.470 2.408 0 40 FEAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 54635407 KTOKXEXZFMQZKX-CYBMUJFWSA-N 358.467 2.495 0 40 FEAB Cc1cccc(OCCCNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 24240267 XXMKSVITLOEHIO-IRXDYDNUSA-N 358.438 2.055 0 40 FEAB CCOc1cccc2c(C)nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc12 20673194 NUCDDBKWABTNKT-UHFFFAOYSA-N 355.398 2.007 0 40 FEAB CC(C)N(Cc1cnn(C)c1)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 56025853 ZDUGMYYEWGMGCV-OAHLLOKOSA-N 370.453 2.361 0 40 FEAB CC(C)c1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525671 FZOSUFPYBXFJJV-UHFFFAOYSA-N 351.406 2.462 0 40 FEAB O=C(c1cnccn1)N1CCOC2(CCN(Cc3ccsc3)CC2)C1 107193224 HSIQGVSNYTZWNZ-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB O=S(=O)(NC[C@@H]1COc2ccccc2C1)c1cccc(-c2nnco2)c1 58166441 MYDUOOSGXZZLQT-CYBMUJFWSA-N 371.418 2.266 0 40 FEAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1ccccc1F 58238104 LRJCPZAZPZAKJJ-NSHDSACASA-N 355.460 2.224 0 40 FEAB COc1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12630157 ABYBZHBHOHTNHO-QGZVFWFLSA-N 365.393 2.303 0 40 FEAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cccn1C)C2 306141783 WGJYFGKTCDCHCQ-HNNXBMFYSA-N 372.444 2.175 0 40 FEAB Cn1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c2ccccc21 10992043 RAYQWABRKNHTBH-UHFFFAOYSA-N 350.422 2.340 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 8884118 SZSGAPYEYKMQQQ-GFCCVEGCSA-N 355.847 2.260 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC(c3ccc(F)cc3)=NC2=N1 4279574 HIOSLKKWFNXVDX-MRXNPFEDSA-N 367.359 2.402 0 40 FEAB O=c1/c(=C/c2ccncc2)sc2nc(/C=C/c3ccc(F)cc3)nn12 5164953 HEZJGRIOETYRGX-MUFNADTASA-N 350.378 2.403 0 40 FEAB CC(C)OCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435505 MNWFZEFQEUJNIH-GOSISDBHSA-N 374.412 2.343 0 40 FEAB CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)o1 4594482 FFJDZVUJMWVAPZ-UHFFFAOYSA-N 353.396 2.252 0 40 FEAB Cc1nc(COc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)no1 14268144 ZQFJXIBBWYUXMF-UHFFFAOYSA-N 365.349 2.379 0 40 FEAB Cc1ccc(OCCNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1 14711637 LOAILTYFEKZSHW-HNNXBMFYSA-N 354.406 2.304 0 40 FEAB COc1ccc(CCNC(=O)CCCC(=O)NC(C)(C)C)cc1OC 4715076 GVCBFWCXLWQJMK-UHFFFAOYSA-N 350.459 2.448 0 40 FEAB COc1ccc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)cc1O 66917170 YVACDYPNDZCGCY-IYOUNJFTSA-N 350.459 2.151 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)OC)s2)cc1 7325450 GZSVCDOERPMLPX-UHFFFAOYSA-N 369.420 2.431 0 40 FEAB COc1cccc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)c1 8026469 ROVMJUOCXSEEMV-UHFFFAOYSA-N 368.389 2.280 0 40 FEAB COCCc1nnc2sc(-c3cc(OC)c(OC)c(OC)c3)nn12 8392566 GROVPEBQIRVUNO-UHFFFAOYSA-N 350.400 2.068 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1cccs1 8402725 AEYIDUMYLMCXEL-ZDUSSCGKSA-N 358.419 2.398 0 40 FEAB CS[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@H]1N(C)C 95996476 YWGMZYKFXMOBOL-RNFRBKRXSA-N 355.411 2.066 0 40 FEAB CN(C)C(=O)NCC[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1 306130118 IWNMEQVYQUAQBY-SFHVURJKSA-N 355.486 2.219 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306135547 OUOUWZYCCPZNEV-GJZGRUSLSA-N 369.444 2.004 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 36354810 MBQKYBNDSLXVMC-QGZVFWFLSA-N 365.393 2.468 0 40 FEAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217434638 ASXFHWNAUWAFAU-GFCCVEGCSA-N 356.444 2.053 0 40 FEAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCN(c2ccc(F)cc2)CC1 182201590 VATGPARUMBHQSF-GOSISDBHSA-N 371.412 2.351 0 40 FEAB CCOCCCNc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1C(=O)O 217561690 TZJYJXGIHRJDRW-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB Cc1cc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)on1 72326890 YVUWVMYVOMFPAZ-UHYGZKCKSA-N 352.394 2.017 0 40 FEAB COc1ccc(NC(=O)N(C)CC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1 40039873 SZOYBLOXCLWUBT-UHFFFAOYSA-N 363.330 2.002 0 40 FEAB CN(C(=O)[C@H]1OCCc2ccccc21)C1CCN(CCn2cccn2)CC1 133031990 JZOQHRDEESNYEY-FQEVSTJZSA-N 368.481 2.120 0 40 FEAB CCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1ccccc1 226053566 AZAVHEHONZNSSB-UHFFFAOYSA-N 364.442 2.495 0 40 FEAB CCOc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1 224172908 GKEXHHDVBSHMKU-UHFFFAOYSA-N 357.414 2.034 0 40 FEAB COc1c(Br)c(C(=O)N2CCc3ccccc3C2)nn1C 96181049 HWDADWAVSFSYHE-UHFFFAOYSA-N 350.216 2.390 0 40 FEAB CCN(C)c1ccnc([C@H]2COCCN2Cc2ccc3c(c2)OCO3)n1 96217766 CZAIGKORZBGBJG-OAHLLOKOSA-N 356.426 2.235 0 40 FEAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181672 CUSHWRHSQWHSBQ-IRXDYDNUSA-N 362.426 2.444 0 40 FEAB O=C(c1ccccc1F)N1CCn2nnc(COc3ccccn3)c2C1 96255987 UGBWBAIWSHNUMZ-UHFFFAOYSA-N 353.357 2.047 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@H](OCC2CC2)C1 247800750 FONCZTHMVCCEHZ-MRXNPFEDSA-N 355.394 2.063 0 40 FEAB COc1ncccc1CN1Cc2cncn2[C@@H](COCC2CCOCC2)C1 247825291 FLYSRIOZVZKQAG-LJQANCHMSA-N 372.469 2.287 0 40 FEAB C[C@@H]1CN(Cc2cccnc2)CCN1C(=O)c1cnc(OCC2CC2)cn1 585081920 AUTGSSPBPOHUJO-OAHLLOKOSA-N 367.453 2.007 0 40 FEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N(C)CCc1ccccn1 253399459 JKICUKSUDMCJEN-ZDUSSCGKSA-N 352.394 2.500 0 40 FEAB biogenic,in-vitro Cn1ccc(C(=O)N2CCC(c3c(C(N)=O)sc4ncccc34)CC2)n1 257214576 CMMYKVZTFWKFPM-UHFFFAOYSA-N 369.450 2.149 0 40 FEAB O=C(Cn1nc2n(c1=O)CCCC2)N1CCCCc2cc(Cl)ccc21 622959644 IEBKMBQAUKJSOR-UHFFFAOYSA-N 360.845 2.404 0 40 FEAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(OC(F)F)cn1 623003090 IBPNMYBVMULHSL-AWEZNQCLSA-N 368.361 2.083 0 40 FEAB Cc1nc(C(=O)N2CCn3nc(CN4CCC(C)CC4)cc3C2)c(C)o1 72463746 IRDVYSQSFMTDRL-UHFFFAOYSA-N 357.458 2.376 0 40 FEAB O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961674 RHSZVSNYUNWSKN-YPMHNXCESA-N 354.332 2.403 0 40 FEAB Cc1cc(C(=O)N2CC(F)(F)C[C@]3(CCN(CC4CC4)C3=O)C2)no1 585093198 IWFKIMXHTZJSHJ-MRXNPFEDSA-N 353.369 2.093 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 585103355 ATINHBYLJBRXCF-IIBYNOLFSA-N 365.433 2.047 0 40 FEAB CN(CCNS(=O)(=O)c1ccccc1)CCOc1cccc(F)c1 52830046 PXKUZQRJMRWPCH-UHFFFAOYSA-N 352.431 2.115 0 40 FEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccn(-c2cccc(F)c2)n1 58184509 HFCHTEDAYVGUEC-UHFFFAOYSA-N 372.425 2.222 0 40 FEAB Cn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc21 12117133 YFXBVZUNYOMTER-UHFFFAOYSA-N 357.391 2.424 0 40 FEAB Cc1cc(-c2cnn(CCNC(=O)c3snnc3C)c2C2CC2)on1 13226722 UXGDHNIEBHXKBI-UHFFFAOYSA-N 358.427 2.314 0 40 FEAB COC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCC2 14067059 VDVUJKXNIWSNJN-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)C 17300624 SHUWCVCEOIJASK-UHFFFAOYSA-N 354.472 2.398 0 40 FEAB COc1ccccc1N1C[C@H](NC(=O)c2cn3cc(C)ccc3n2)CC1=O 19234352 UWBPAVYJCQSCHQ-CQSZACIVSA-N 364.405 2.187 0 40 FEAB CN1C(=O)COc2ccc(NC(=O)[C@H](c3ccc(F)cc3)N(C)C)cc21 19590974 ZSWZALAZZRVLJK-SFHVURJKSA-N 357.385 2.422 0 40 FEAB CN1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1nonc1O 19712882 BSANKGHSNJXIHR-ZACQAIPSSA-N 370.453 2.475 0 40 FEAB COC[C@H](C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 22624495 VCVHECUXFBWXKU-JTQLQIEISA-N 363.464 2.338 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3ccccc3[nH]2)cc1C 6147316 DFSUBHULHFPUBN-UHFFFAOYSA-N 372.450 2.487 0 40 FEAB O=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)ccc1=O 1888864217 UELXRMNSOULGHQ-UHFFFAOYSA-N 371.384 2.312 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4nccnc4C)CC3)cnc2c1 1889151721 HRWNVTXBAGEGLZ-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(O)cc2)CC1 35361651 ZXBIBQPWAXEVAC-INIZCTEOSA-N 351.450 2.492 0 40 FEAB Cc1cnc(C)c(OC2CCN(Cc3nnc([C@@H]4CCOC4)o3)CC2)n1 2086968225 FUBFCJSCGNSHBS-CQSZACIVSA-N 359.430 2.024 0 40 FEAB Cc1cnnn1Cc1ncn2c1CN(C(=O)/C=C/c1cccs1)CCC2 1565550187 TUCBBKFOSPGARL-AATRIKPKSA-N 368.466 2.339 0 40 FEAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4374123 SFXJUFSEDGODOD-INIZCTEOSA-N 371.412 2.482 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570760 VYNFUESVAHEPOE-LBPRGKRZSA-N 357.801 2.399 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 2055704314 ILAOXFQNFDFIDZ-QVKFZJNVSA-N 364.449 2.296 0 40 FEAB Cc1nnc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c2ccccc12 2086865114 LPDCUFRTPYUJPF-AWEZNQCLSA-N 360.483 2.331 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575614329 ZJVOPONWLLCOJM-CYBMUJFWSA-N 360.345 2.420 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2cnsn2)CC1 618256426 HYJGNFOUTLMWKP-UHFFFAOYSA-N 369.468 2.087 0 40 FEAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC1CCCC1 2298107056 JYFBUCWOOAWRHH-CQSZACIVSA-N 357.445 2.015 0 40 FEAB NC(=O)Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 40074672 FCRHZWBJBVJIAZ-UHFFFAOYSA-N 353.378 2.041 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 51034555 JBFKPHYGLVWXCR-QGZVFWFLSA-N 360.435 2.286 0 40 FEAB O=C(NCc1ccc(Cl)cc1)c1nn(-c2ccccc2F)nc1CO 20869348 CQDVUXBUDPMMOE-UHFFFAOYSA-N 360.776 2.482 0 40 FEAB COc1cc(C2=NO[C@H](C(=O)NCc3ccco3)C2)cc(OC)c1OC 4118960 OJEZUFXBDFIWGG-INIZCTEOSA-N 360.366 2.115 0 40 FEAB COc1ccc(OCC[S@@](=O)CC(=O)N2CCc3ccccc32)cc1 32801204 ZUVNLLOLKSTVHU-VWLOTQADSA-N 359.447 2.412 0 40 FEAB CCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3C)CC2)C1=O 108533130 QWDCEBXDOYIAER-GOSISDBHSA-N 350.484 2.408 0 40 FEAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(O)c1 9262205 PXBBMXBIVDXEPI-HOTGVXAUSA-N 351.362 2.463 0 40 FEAB CCCCC[C@@H](C)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 9306700 GHSWGMQDPLXLKZ-KUBCDEKXSA-N 373.453 2.354 0 40 FEAB NC(=O)c1nn(-c2ccccc2)nc1NC(=O)COc1ccc(Cl)cc1 719867 NIMUWNONWCTQMY-UHFFFAOYSA-N 371.784 2.037 0 40 FEAB CC(C)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 47463994 QTRMBFMFMBJECK-CHWSQXEVSA-N 355.460 2.014 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC(CNCc2cscn2)CC1 105472813 WMKCNLLCJZAIQQ-UHFFFAOYSA-N 351.497 2.334 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccoc2)c(C)c1 53038220 BIWKHJJYFKVWCW-UHFFFAOYSA-N 350.440 2.190 0 40 FEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccc2ccccc21 12561521 HNHXXJGEBXNEIA-UHFFFAOYSA-N 371.462 2.417 0 40 FEAB COc1ccc([C@H](CNC(=O)Cc2cccs2)N2CCOCC2)cc1 23718632 OFNSRRLAVVYXQF-SFHVURJKSA-N 360.479 2.489 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 102082821 KSEOEMAANVXKNP-CLJXZBEYSA-N 350.418 2.295 0 40 FEAB COc1ccc(CCN(C)CN2C(=O)c3ccccc3C2=O)cc1OC 23996037 POMWKOAUZNCQFV-UHFFFAOYSA-N 354.406 2.432 0 40 FEAB O=C(CN1C(=O)NC2(Cc3ccccc3C2)C1=O)Nc1ccc(Cl)cc1 54921091 ONFJRCHYBIXXNE-UHFFFAOYSA-N 369.808 2.368 0 40 FEAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cccnc1-n1cccn1 25012133 RCRBITNUJFHYFA-UHFFFAOYSA-N 368.422 2.254 0 40 FEAB Cn1nc(CC(=O)Nc2cccc(Cn3ccnc3)c2)c2ccccc2c1=O 25172989 MKNADASJHPPWPC-UHFFFAOYSA-N 373.416 2.360 0 40 FEAB COCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 20889164 GBBHROMOKRSDMH-UHFFFAOYSA-N 374.462 2.123 0 40 FEAB CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc2ncccc2c1 78903142 ASRMNJFKKHWTQD-OAHLLOKOSA-N 372.425 2.332 0 40 FEAB COC(=O)c1c(C)cccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 10030458 OFERVDLTJXCGOU-ZIAGYGMSSA-N 372.421 2.285 0 40 FEAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1)S(C)(=O)=O 22432082 JQKJUYKDJWGCLZ-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB CCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2123730 MGKIVAFTMPEAKQ-GFCCVEGCSA-N 367.785 2.372 0 40 FEAB biogenic CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2117876 HNPIQGSCCFRCHL-BZNIZROVSA-N 373.405 2.419 0 40 FEAB biogenic Cc1ccc2nc(Cn3cnc4ccc(Cl)cc4c3=O)cc(=O)n2c1 11253722 CUWOETSDOXTMCV-UHFFFAOYSA-N 352.781 2.415 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 48332886 UMIWLDKSHOALRQ-RTBURBONSA-N 358.482 2.495 0 40 FEAB CCNC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 12898782 FVOCOIHQJNXAQW-UHFFFAOYSA-N 358.394 2.471 0 40 FEAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(F)c1 12867561 ASOVTBKSOCBDPI-OAHLLOKOSA-N 366.414 2.047 0 40 FEAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3460167 OVAUOSKWLGDTOI-FQEVSTJZSA-N 351.406 2.112 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)CN(C)C 49946445 YGMHZJSMAJQRAU-INIZCTEOSA-N 351.466 2.284 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cc2c(cc1Cl)OCCO2 65516690 ZNAQZRPAJIHQJR-SNVBAGLBSA-N 353.806 2.244 0 40 FEAB Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3CO)cc2n(C)c1=O 5346118 KSXHCSRVIAAEIV-UHFFFAOYSA-N 361.401 2.187 0 40 FEAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 6550018 GEFVZMXHBFEROW-UHFFFAOYSA-N 372.468 2.300 0 40 FEAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCCCCC1 6944750 WMSLNYXJUIPLBP-UHFFFAOYSA-N 363.462 2.217 0 40 FEAB CC(C)(C)n1nnnc1SCc1nc(N)nc(Nc2ccccc2)n1 16290993 UNGWVANIIGUQIS-UHFFFAOYSA-N 357.447 2.231 0 40 FEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(C(=O)c2cccs2)CC1 8040180 VXWVTNPDLQROJR-VOTSOKGWSA-N 358.467 2.096 0 40 FEAB O=C(Nc1cccc(OCC(=O)N2CCC(C3OCCO3)CC2)c1)C1CC1 70036498 LDQFMUVMEXEIDQ-UHFFFAOYSA-N 374.437 2.025 0 40 FEAB O=C(NCc1cccs1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022674 HNKVLFGZOWRRPZ-UHFFFAOYSA-N 368.466 2.257 0 40 FEAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1nccs1 17113097 NMJWHXLGPUMNBU-AWEZNQCLSA-N 373.438 2.275 0 40 FEAB CC(C)C(=O)N1CCCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 69622015 IWQFQFLOKQHHCB-UHFFFAOYSA-N 372.469 2.301 0 40 FEAB Cc1cccc(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c1C 9483168 GJCDYELOJAPYRF-CYBMUJFWSA-N 362.455 2.098 0 40 FEAB COC(=O)c1c(C(=O)CSc2nccc(=O)[nH]2)c(C)n(C2CC2)c1C 9737259 JZTKIROVCROCSP-UHFFFAOYSA-N 361.423 2.285 0 40 FEAB O=C(O)c1ccccc1C(=O)Nc1n[nH]c2cccc(N3CCOCC3)c12 72233824 WDUXHEHCSOOPEO-UHFFFAOYSA-N 366.377 2.350 0 40 FEAB CC(C)Oc1ccc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)c(F)c1 72270425 ZNYPVYYZWRPVKU-AWEZNQCLSA-N 352.454 2.370 0 40 FEAB COc1cccc2c1ccn2CCNC(=O)c1ccccc1-n1cnnn1 79494127 PQSPNJLGOIGGQY-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1Cc2cc(F)ccc2O1 95424581 AKFVSYOOFDDOOG-AEFFLSMTSA-N 368.364 2.423 0 40 FEAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1noc2c1CCCC2 20523154 NZQFFYINPMBDAH-UHFFFAOYSA-N 368.481 2.496 0 40 FEAB CCN(CC)C(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 408555660 GYTNUPYBSVPZSX-LLVKDONJSA-N 362.879 2.372 0 40 FEAB O=S(=O)(NC1CCN(Cc2nnsc2Cl)CC1)c1ccccc1 25049389 CEFLWSAIARGPKJ-UHFFFAOYSA-N 372.903 2.134 0 40 FEAB O=S(=O)(NC[C@H]1CCc2ncc(-c3ccncc3)n21)c1ccccc1 306126854 FHFFKCCOQIFBJU-OAHLLOKOSA-N 354.435 2.411 0 40 FEAB O=C(C1=CCCC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 306142504 XBBOWWMLPLMWLH-OAHLLOKOSA-N 352.442 2.244 0 40 FEAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2ccco2)cc1 67198500 SQZVIEHKRJYVRK-UHFFFAOYSA-N 353.378 2.137 0 40 FEAB CC(C)[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1 32905458 BNUHEFVBEYXTKV-HXUWFJFHSA-N 353.470 2.112 0 40 FEAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1N1CCCC1=O 38754529 SJAIEVJTSGSSST-UHFFFAOYSA-N 374.462 2.343 0 40 FEAB Cc1n[nH]c(SCCNC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)n1 225861676 CHDHUODVUGYFFT-SNVBAGLBSA-N 369.450 2.067 0 40 FEAB O=S(=O)(CCc1ccccc1)NC[C@@H](c1ccccc1)N1CCOCC1 47497112 JEDUDCPUOGQFSK-FQEVSTJZSA-N 374.506 2.222 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)s1 223825751 QEAGWIRYWGZRLL-MRVPVSSYSA-N 358.420 2.065 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223571752 QZLKYTUGVFDKMN-MSOLQXFVSA-N 368.462 2.489 0 40 FEAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2CCCS2(=O)=O)cc1 574822264 CWCSNDPZIGNQAN-GJZGRUSLSA-N 367.467 2.193 0 40 FEAB CC[C@H](NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1)C(=O)N1CCOCC1 84458638 VBLDXXKCOLFMOJ-OALUTQOASA-N 373.497 2.349 0 40 FEAB Cn1cc(CN2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cn1 96052249 CIAXWVMGMAIZCW-GOSISDBHSA-N 354.454 2.287 0 40 FEAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccccc1 96518221 LOGKJFJAMNHPAZ-VIFPVBQESA-N 358.584 2.242 0 40 FEAB Cc1nc(C(=O)N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)cs1 248159082 WVGWUWJFHHRLTG-OAHLLOKOSA-N 372.494 2.462 0 40 FEAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2 247888740 SPZBFADFDHDOBG-HNNXBMFYSA-N 369.483 2.292 0 40 FEAB CCc1cc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)no1 257235888 GZZJDVOKMHASTK-INIZCTEOSA-N 358.442 2.172 0 40 FEAB C[C@]1(c2ncc(CN3CCN(c4ncccn4)CC3)cn2)CCCCO1 257266691 MEBNVEDAIUALIC-LJQANCHMSA-N 354.458 2.005 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccno1 253599417 PPKXBUMIEXXYEF-CQSZACIVSA-N 361.467 2.456 0 40 FEAB Cc1cnn(C[C@H]2CN(C(=O)c3cccc([C@H]4CCOC4)c3)CCO2)c1 270678165 RLFXHIASPGUARJ-RBUKOAKNSA-N 355.438 2.237 0 40 FEAB Cc1cc(NC(=O)N2CCC[C@H](N3CCCC3=O)C2)n(-c2ccccn2)n1 600827973 USKVKPVGIMKQKZ-HNNXBMFYSA-N 368.441 2.194 0 40 FEAB O[C@@H]1C[C@H](NCc2ccccc2OCc2ccccn2)[C@H]1n1cccn1 657515437 WOADWYUNMYHVHM-NLWGTHIKSA-N 350.422 2.321 0 40 FEAB Cc1nnc(CNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1C 603261190 XJNKJJBGPZZDOM-UHFFFAOYSA-N 363.421 2.330 0 40 FEAB NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccc(F)cc2)o1 1775976389 QUWVLGPVPCLKDK-CYBMUJFWSA-N 374.759 2.486 0 40 FEAB CCCC[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](OCC)C(C)C)CC1 1775992955 VTUQLFXVWIZUDB-DLBZAZTESA-N 370.534 2.344 0 40 FEAB Cc1ccc(OC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nn1 96119383 JBLYNKPBPPZIID-UHFFFAOYSA-N 364.409 2.049 0 40 FEAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCCN(C)CC2)CC1 585182363 MLEWYVWHPSOCCN-UHFFFAOYSA-N 357.498 2.022 0 40 FEAB Cc1ccccc1C[C@@]1(CO)CN(Cc2ccccc2C(=O)O)CCO1 585279444 ZHBZWXCDORMHKB-NRFANRHFSA-N 355.434 2.499 0 40 FEAB COc1ccc(COCC(=O)N2CCCN(c3ccccc3F)CC2)cn1 585123713 OKSSFPYTEOWFJV-UHFFFAOYSA-N 373.428 2.485 0 40 FEAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O)c1ccccc1F 585262286 BJSXVMHADFNNMF-BRSBDYLESA-N 363.360 2.026 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1 95350694 YKEUWEAJVRLMBH-UHFFFAOYSA-N 353.440 2.386 0 40 FEAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@H]1CCCC[C@H]1C 5416103 BPKWXPILWZNTSW-IOASZLSFSA-N 371.437 2.174 0 40 FEAB O=C(O[C@H]1CO[C@@H](F)[C@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5664895 MXKSZVULZXDWHM-YLFCFFPRSA-N 360.337 2.124 0 40 FEAB C[C@H]1CN(CC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@@H](C)O1 19497487 MRLZZNRWWRLQTO-TXEJJXNPSA-N 364.446 2.316 0 40 FEAB O=C(CN1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1)N1CCCC1 19693253 UDHBRXVQKOOOSJ-QGZVFWFLSA-N 370.428 2.278 0 40 FEAB COc1cccc(C(=O)N2CCc3nnc([C@H]4CCCCN4C)n3CC2)c1 19706167 DBEDDZFJUFAQQY-QGZVFWFLSA-N 369.469 2.142 0 40 FEAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102725936 UDAVBTNCLNCSAH-SIINXIONSA-N 374.387 2.291 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccc(F)cc2)C1=O 4787390 JFIASCUHVQAWCD-LJQANCHMSA-N 372.352 2.400 0 40 FEAB CC(=O)c1ccc(OC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 29235948 ZOUXJVNFNOSCTR-KRWDZBQOSA-N 369.352 2.054 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@@H](c2ccccc2)C1 30765988 XZFUHGZVPRLKCE-LJQANCHMSA-N 366.417 2.402 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N(C)Cc2ccccc2Cl)C1=O 36674647 CHOWPXUGQQWGMN-UHFFFAOYSA-N 351.834 2.409 0 40 FEAB CN1CCCC[C@]2(CN(C3CCN(c4ccccc4)CC3)CCO2)C1=O 2037985373 HVOVYEWYNWWVOX-NRFANRHFSA-N 357.498 2.369 0 40 FEAB O=C(Cc1ccccn1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614947305 VIFXNVWDKHBRIE-LJQANCHMSA-N 362.433 2.299 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1565552472 VTMPYFGAVCUNBJ-MRXNPFEDSA-N 372.856 2.059 0 40 FEAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cc(F)ncc1F)C2 1565548968 KEHMMQOWUWBUOK-UHFFFAOYSA-N 361.396 2.235 0 40 FEAB O=C(CCF)N1CCN(c2ncc(-c3ccccc3)n3ccnc23)CC1 1565555476 BDTHMSWKFFCMGR-UHFFFAOYSA-N 353.401 2.405 0 40 FEAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 10099626 MKMNWGYKNIPQKF-UHFFFAOYSA-N 374.418 2.451 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(COCCN(c4nnc(C)o4)C3)C2)o1 2055819285 KISUADXUFHFKED-SFHVURJKSA-N 360.414 2.039 0 40 FEAB CCOc1ccc2ccccc2c1C(=O)NCc1nc(OC)nc(OC)n1 575606294 HHKUFPNDQAHHPM-UHFFFAOYSA-N 368.393 2.371 0 40 FEAB Cc1cccnc1OCC1CCN(CC2CCS(=O)(=O)CC2)CC1 585533550 ZJTNJVVHYRNJRZ-UHFFFAOYSA-N 352.500 2.306 0 40 FEAB Cc1cc(C(=O)NCCNC(=O)Nc2cccc3ccccc23)nn1C 2740862 FGTRTYVAUKHWCG-UHFFFAOYSA-N 351.410 2.433 0 40 FEAB Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCCC1 1325568 QCQZJKMOGZHGEX-UHFFFAOYSA-N 364.500 2.002 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CCCN(c3cc(C)nc4ncnn34)C2)cc1 4898199 UQGRNBCHWVMAEU-QGZVFWFLSA-N 364.453 2.274 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6326094 NJJBQNVAHXBNKZ-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 6608864 GYJKADSAAWFVAI-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)CSC(=S)N1CCCC1 7484292 MBFPGEHHJXVQTB-UHFFFAOYSA-N 365.524 2.418 0 40 FEAB Cc1nc(NC2=NC(=O)C[C@H](C(=O)c3ccccc3)N2)nc2ccccc12 8570142 QDBXQJZWNJENPJ-MRXNPFEDSA-N 359.389 2.478 0 40 FEAB CCc1cc2c(=O)[nH]c(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2s1 54752563 BGOBTZYYMZGMOZ-UHFFFAOYSA-N 363.464 2.464 0 40 FEAB COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 57721649 ICHCTNHHJDBSAQ-SFHVURJKSA-N 373.453 2.399 0 40 FEAB O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)C1CC1)Nc1ccc(F)cc1 9483611 VTGFUTRTGVMPLO-IKGGRYGDSA-N 373.428 2.203 0 40 FEAB COc1cc(N2CCC[C@@]3(C[C@@H](CNc4nccs4)CO3)C2)ncn1 107790712 FDHOONYRFZNJHH-SUMWQHHRSA-N 361.471 2.429 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)C2CCCC2)Oc2ccccc21 20454193 NEHONGRTZCCPMM-MRXNPFEDSA-N 352.456 2.005 0 40 FEAB Nc1nc(SCc2nc3ccccc3c(=O)n2Cc2ccco2)n[nH]1 12691300 JEMVWIPJNHBADY-UHFFFAOYSA-N 354.395 2.030 0 40 FEAB CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 57425145 LVNXCQJEVYELET-NSHDSACASA-N 367.496 2.255 0 40 FEAB O=C([C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)N1CCCC1 58197519 WVJAZDFLBKXNID-CQSZACIVSA-N 358.410 2.130 0 40 FEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)CC[C@H]3CCCO3)c(C)c12 58330153 MIJBROKKLAMDAE-IUODEOHRSA-N 374.485 2.275 0 40 FEAB O=C(O)COc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1 58496576 CFUYMCRWODEETJ-UHFFFAOYSA-N 351.355 2.041 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2occc2n1Cc1ccccc1 36357373 LNKMSQMBJTTZKR-CQSZACIVSA-N 358.419 2.200 0 40 FEAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O 2397009 AHMOOBSBSYNVKZ-HNNXBMFYSA-N 357.332 2.364 0 40 FEAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12809720 INDRGDROUONBJP-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB Cc1cccn2c(=O)cc(Cn3cnc4cc(Cl)ccc4c3=O)nc12 12982089 BIBMHONAELDKQQ-UHFFFAOYSA-N 352.781 2.415 0 40 FEAB CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3F)c(=O)n2C)n1C 13512832 OGIOMTBYGLAEKY-UHFFFAOYSA-N 373.432 2.079 0 40 FEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)OCC(=O)N2 39975965 SINRDRCZUYBCNW-UHFFFAOYSA-N 368.389 2.451 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 14098627 LTBRAFNENZDLIN-HOTGVXAUSA-N 354.516 2.470 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 14021575 QMGQVTLFHQCJFC-UHFFFAOYSA-N 358.423 2.287 0 40 FEAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 9118304 CJSBDOGXLUYYSO-UHFFFAOYSA-N 369.830 2.478 0 40 FEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 14135317 NJIIGXHCMYXOFS-GOSISDBHSA-N 359.332 2.371 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCC[C@H](C)C2)c1C 4550176 CTWGHAHZXHWMQG-NSHDSACASA-N 350.415 2.224 0 40 FEAB COc1cccc(C[C@H](C(=O)Nc2ccccc2F)c2nnn[nH]2)c1OC 4546432 YAONAPXKRMSZDC-LBPRGKRZSA-N 371.372 2.321 0 40 FEAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505449 PUGVSYRYKSZFIV-VIFPVBQESA-N 372.295 2.191 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)CS(=O)(=O)c3ccccc3)c2c1 4783652 PFNQSFKKBPFPGO-UHFFFAOYSA-N 372.446 2.309 0 40 FEAB O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1 66863169 DCJIDXPNZBTQOR-QGZVFWFLSA-N 367.449 2.012 0 40 FEAB CCCCn1c(=O)c(CCC(=O)O[C@H]2C[C@@H](C)OC2=O)nc2ccccc21 7392503 XXIXGLARYXJOJM-DYVFJYSZSA-N 372.421 2.376 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 15806150 OKFALOSOTXHZHR-QMMMGPOBSA-N 353.762 2.411 0 40 FEAB O=C(COc1ccccc1-c1ccccc1)OCC(=O)N1CCOCC1 7801252 YRSVVNHSGMKHKK-UHFFFAOYSA-N 355.390 2.134 0 40 FEAB CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1C1OCCO1)c1cccs1 69283347 WNPHGBOXTHKRIA-KBPBESRZSA-N 352.456 2.069 0 40 FEAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(COCC(F)(F)F)c1 17076039 VFUMOWYZJRJVFI-UHFFFAOYSA-N 371.241 2.424 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 9450975 XFSHMTQIRMQZGJ-ZDUSSCGKSA-N 369.421 2.088 0 40 FEAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cc2ccccc2o1 8406054 UPJWUEFLCAKBMS-LBPRGKRZSA-N 355.394 2.475 0 40 FEAB Cn1cc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cn1 306126643 FASZCWVVEIVFCG-UHFFFAOYSA-N 374.452 2.459 0 40 FEAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 89363718 HQFNHCLAHDHZHF-INIZCTEOSA-N 371.462 2.260 0 40 FEAB COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(-n2ccnn2)cc1 89432484 KNVHKPBTWZHDIW-UHFFFAOYSA-N 352.350 2.315 0 40 FEAB C[C@H](c1ccccc1F)N1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 89909720 RWJAIAVZYAQHBG-DNVCBOLYSA-N 371.460 2.043 0 40 FEAB CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(C)C(=O)N(C)C1=O 20357414 JAJJAJCWLWSXDZ-UHFFFAOYSA-N 354.410 2.015 0 40 FEAB CCc1ccc(OCn2cc(NC(=O)c3nc4ncccn4n3)cn2)cc1 36618774 PAOWIVCGUMGHBR-UHFFFAOYSA-N 363.381 2.172 0 40 FEAB CN1CCN(CCCNC(=O)c2cc(Br)ccc2Cl)CC1 40419081 AJNMKJOPQOCPIX-UHFFFAOYSA-N 374.710 2.470 0 40 FEAB CC(C)[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225206465 RBDOSOKBUJMZNE-ZDUSSCGKSA-N 370.471 2.122 0 40 FEAB Clc1ccc(CN2CCN(c3cncc(-n4cncn4)n3)CC2)cc1 48303029 JYJXNBKDDUBSJD-UHFFFAOYSA-N 355.833 2.033 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccc(C)cc3)C2=O)cc1 96286249 YCXKKZDIAITHHX-SJORKVTESA-N 350.378 2.497 0 40 FEAB Cc1ccc(N2CCO[C@@]3(CCCN(Cc4csc(C)n4)C3)C2)nn1 96226685 BSSLLBIGJUPRHP-GOSISDBHSA-N 359.499 2.421 0 40 FEAB O=C(c1ccncc1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96049565 JMWYVRIWSYEZLF-HXUWFJFHSA-N 352.438 2.236 0 40 FEAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2O1 96040973 MSGAICKBERXOSO-UFYCRDLUSA-N 358.482 2.209 0 40 FEAB Cn1nnc2c1CCN(C(=O)C1CC=CC1)[C@H]2COCc1ccccc1 96045328 PIHPKXCLGVNEKS-SFHVURJKSA-N 352.438 2.424 0 40 FEAB Cn1nnc2c1[C@H](COCc1ccccc1)CN(CC1CCOCC1)C2 96060819 GHLZZYNPPKTHJK-SFHVURJKSA-N 356.470 2.358 0 40 FEAB COc1ccc(N2CCC(C(=O)NCc3ccccc3OC)CC2)nn1 95477997 DHNPKFPOCQUMOU-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB O=C(c1sc(-c2ccccc2)nc1C(F)F)N1C[C@@H](O)C[C@H]1CO 679109829 DRSJBXIWKIESMS-QWRGUYRKSA-N 354.378 2.315 0 40 FEAB Brc1cncc(O[C@H]2CCN(c3ncnc4n[nH]cc34)C2)c1 624380870 VKGRYMFDNVLFPO-JTQLQIEISA-N 361.203 2.168 0 40 FEAB CCc1ccc(S(=O)(=O)N([C@H](C)CC)[C@@H]2CCS(=O)(=O)C2)cc1 575420759 KJVUGKUZAIIDON-UKRRQHHQSA-N 359.513 2.225 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2cccc(CO)c2)cc1)C(=O)O 73141618 RZQXBPAFWSXADQ-QGZVFWFLSA-N 363.435 2.233 0 40 FEAB CC(C)(C(=O)O)[C@H]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1 97045161 UFVMOPKIIONYRR-HNNXBMFYSA-N 360.458 2.042 0 40 FEAB C[C@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 97102673 ZLGXSXDTPFYMRZ-LRDDRELGSA-N 371.441 2.070 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3c(C)cccc3C)nc2n1 5021422 JUUCFWUXEIDHIR-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB CSCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396964 ZQMWSMBVFNCNPA-DZGCQCFKSA-N 355.463 2.219 0 40 FEAB biogenic,in-vitro Cc1noc(C)c1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326176 GUVXETCLGMSKMB-UHFFFAOYSA-N 361.417 2.144 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(C2CCOCC2)CC1 225564165 LTSUGXJHARSTOU-UHFFFAOYSA-N 370.490 2.303 0 40 FEAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1nonc1N 19589158 WOAOABSXQAGZCF-BFYDXBDKSA-N 355.442 2.134 0 40 FEAB Cc1ccc(N2C[C@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]3C2)nn1 1888890292 MOLAXLJFQACPCM-ROUUACIJSA-N 351.454 2.105 0 40 FEAB CN(C)c1cc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)ncn1 1889108874 AQLASEIWESIUEO-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4250989 HZQINIQWUJHXQA-UHFFFAOYSA-N 365.437 2.306 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2ccnc(O[C@@H]3CCSC3)c2)CC1 225718415 ZSRKHXSJDPQBQZ-OAHLLOKOSA-N 364.467 2.381 0 40 FEAB COc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)c(OC)c1 12222590 OYMGUFWPKDONEA-UHFFFAOYSA-N 369.469 2.235 0 40 FEAB CS(=O)(=O)Nc1cccc(OS(=O)(=O)c2ccc(F)cc2F)c1 30444409 RBSKZUPFJYBTMN-UHFFFAOYSA-N 363.363 2.104 0 40 FEAB O=C(COc1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCC1 32628614 RQXRKYYWICBDBL-UHFFFAOYSA-N 360.435 2.489 0 40 FEAB O=C(CCN1CCSC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 32888977 HBLKABHWRJKIRT-UHFFFAOYSA-N 358.427 2.172 0 40 FEAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCC1CC1 21651026 XJLHZTAZKCTDJV-UHFFFAOYSA-N 363.417 2.008 0 40 FEAB Cc1ncc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)s1 78714530 XXMZLMXUCUQWFO-UHFFFAOYSA-N 358.467 2.284 0 40 FEAB Cn1cnn(CN2CCC(NC(=O)CCc3ccccc3)CC2)c1=S 54490766 NLLMTCMWOHAWST-UHFFFAOYSA-N 359.499 2.122 0 40 FEAB CCOC(=O)C1=C(CN(C)CCSC)NC(=O)N[C@@H]1c1ccccc1 79075223 PIBBQZUWAAMOPI-MRXNPFEDSA-N 363.483 2.153 0 40 FEAB COC(=O)[C@@H](CCC(=O)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1715396 ZIQKGYNYCJUPSL-GOSISDBHSA-N 365.385 2.416 0 40 FEAB O=C(NCCCn1ccnc1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4902927 HGYHCJHPQQHYJP-JXAWBTAJSA-N 363.421 2.189 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 24814511 OQTVLMQUUCKSDO-HNNXBMFYSA-N 373.478 2.314 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 6935105 GLTFLLQXOLYXLJ-UHFFFAOYSA-N 374.340 2.163 0 40 FEAB CN(C)CCn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 72072085 XAMVFSPHWNBYSZ-CQSZACIVSA-N 365.478 2.173 0 40 FEAB CC(C)[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1ccc(F)cc1 56326639 CTNWUQUNJGPFAC-HNNXBMFYSA-N 356.405 2.442 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 57115442 ZFWGTPRHMDTRRX-GFCCVEGCSA-N 361.419 2.462 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(F)cc1 100395272 SKTLOHGDCDQMBF-WJQMWINMSA-N 354.381 2.189 0 40 FEAB CCCC[C@H]1C[C@@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1819558 RDAGPFNTAQTVJC-BONVTDFDSA-N 356.517 2.357 0 40 FEAB O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1F 44782795 LVWOBLJGDMXJAM-QGZVFWFLSA-N 364.442 2.178 0 40 FEAB CC(C)(CNC(=O)CCNc1ncccn1)c1ccc2c(c1)OCCO2 58209200 RXUCRXZQWWJCFL-UHFFFAOYSA-N 356.426 2.144 0 40 FEAB CNC(=O)CNc1nc(CN2CCCCC2)nc2sc3c(c12)CCC3 12691590 BVJXHGFKIDCTAK-UHFFFAOYSA-N 359.499 2.324 0 40 FEAB Cc1cc(CNC(=O)[C@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)C2)no1 58328819 JEAJBGQAQNXZRU-OKILXGFUSA-N 360.414 2.018 0 40 FEAB CNC(=O)c1cc(OC)ccc1NC(=O)C[C@H](C)NC(=O)c1ccccc1 58357079 HFZXWYBZOQJKLM-ZDUSSCGKSA-N 369.421 2.202 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CCNC(=O)c1ccsc1 12927199 BQMKIPJKUGUEQC-UHFFFAOYSA-N 361.423 2.474 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 12907441 PTQRDMYISBSQDE-UHFFFAOYSA-N 367.449 2.487 0 40 FEAB Cc1cccn2c(=O)c3cc(C(=O)NCCCn4ccnc4)sc3nc12 13039783 VIMYSHURGZGTAK-UHFFFAOYSA-N 367.434 2.234 0 40 FEAB CCCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)n[nH]c1=O 13138233 GCZJMZLVVQJDQY-UHFFFAOYSA-N 356.835 2.374 0 40 FEAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)cc1 408571109 NPPBFTZSEONWMJ-UHFFFAOYSA-N 365.389 2.347 0 40 FEAB COC(=O)CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OC 4065046 YZBAJACRGSFBBD-KRWDZBQOSA-N 369.417 2.430 0 40 FEAB Cc1cccc(C)c1OCCOC(=O)c1cc(S(N)(=O)=O)ccc1F 14245479 PWFIJMYXOKQSGG-UHFFFAOYSA-N 367.398 2.326 0 40 FEAB CCCCCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1cc(C)on1 9385044 KBRLAHNWVLOYCW-UHFFFAOYSA-N 363.418 2.349 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1 6533413 DLTKLSXIXQPSFQ-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(-n2nnc(-c3ccc(C)cc3)n2)nc1 5687569 ANNHSMVZLVPOCG-UHFFFAOYSA-N 372.454 2.063 0 40 FEAB Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)cc(O)c12 6759263 MJLKKDGIYAXWMW-UHFFFAOYSA-N 359.403 2.476 0 40 FEAB biogenic O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1 6804563 NMOWZLWUUKUZPG-UHFFFAOYSA-N 365.798 2.422 0 40 FEAB Cc1nn(C[C@@H](C)C(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1Cl 6921009 WVZXQEDYLXQXRX-JMCQJSRRSA-N 352.744 2.258 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 7308577 WVWGTVLWWNIUAV-UHFFFAOYSA-N 370.780 2.212 0 40 FEAB COC(=O)c1sc2nc(C)nc(NCCCN3CCOCC3)c2c1C 16680348 GFHRCTNFDBYTJW-UHFFFAOYSA-N 364.471 2.229 0 40 FEAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 69980007 WVZHTZQAPCYVHH-QGZVFWFLSA-N 350.484 2.109 0 40 FEAB CC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 95369503 GXWLIHCIEXXMPR-QGZVFWFLSA-N 361.419 2.172 0 40 FEAB CCOc1ccc(Cl)cc1CCNC(=O)c1cc(C(=O)OC)no1 95465263 KEKJCWZOJWJEEU-UHFFFAOYSA-N 352.774 2.486 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc2c(c1)NC(=O)CO2 95949156 PSIWMPNXXRCHJZ-BXUZGUMPSA-N 372.450 2.320 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccccn2)c1 28779347 CJPCEHUPAFWZPX-OAHLLOKOSA-N 361.467 2.244 0 40 FEAB O=C(C[C@@H](C(=O)OC1CCCCC1)N1CCNCC1)OC1CCCCC1 22584144 KLYJXSAMKRPVGC-SFHVURJKSA-N 366.502 2.402 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCCCC2)Oc2ccccc21 30752474 CYEZLKFKHWGVMN-KRWDZBQOSA-N 366.483 2.443 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(CO)C(=O)O)cc1 218506326 LLKLXAPTIPKSQG-SOLBZPMBSA-N 364.394 2.137 0 40 FEAB Cc1ccsc1CCC(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238895984 RAUYACKMIAPFFA-HUUCEWRRSA-N 358.463 2.151 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 128053129 UFSCKDXEEVYZEZ-UHFFFAOYSA-N 366.870 2.418 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc21 223033283 CYIVXXFGWOKCRA-UHFFFAOYSA-N 362.407 2.448 0 40 FEAB O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 529466170 HCPYSDDHYRUTGT-QLFBSQMISA-N 371.405 2.265 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 44893975 ZZCZHLMJVAXOGW-HYVNUMGLSA-N 365.433 2.247 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 45865971 BLQMHSLNORDHAB-UHFFFAOYSA-N 355.437 2.290 0 40 FEAB CCn1cnc2c(NC[C@@H]3CCCN(C)[C@H]3c3cncn3C)ncnc21 583618141 DGTUTIIATGLNPI-XJKSGUPXSA-N 354.462 2.075 0 40 FEAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)CCOc3ccccc3)C2)nn1 583617667 COZQWARUAUMHNH-LJQANCHMSA-N 358.442 2.138 0 40 FEAB CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCCCC2)COC1 96112773 OGYJJNHCYDBUFB-AWEZNQCLSA-N 363.483 2.433 0 40 FEAB biogenic,in-vitro CNC(=O)c1cc2c(nc1NCC(C)C)CCN(c1ncc(C)cn1)CC2 96100694 AKDBUDBNICZINE-UHFFFAOYSA-N 368.485 2.213 0 40 FEAB COc1ccc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 96061064 IZLPZWVDEFHEEK-QGZVFWFLSA-N 351.410 2.037 0 40 FEAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227735 MBYJTEJDEUMJOF-GDBMZVCRSA-N 356.513 2.062 0 40 FEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H]1CCCc1ccccc1 248997762 PJXDWVYESGBKBY-DOTOQJQBSA-N 352.500 2.280 0 40 FEAB O=C(NC[C@@]1(O)CCN(c2ccccn2)C1)c1ccc2c(c1)CCCC2 257252503 JVADRTRJMISGMD-NRFANRHFSA-N 351.450 2.332 0 40 FEAB Cc1cccc2nc(C(=O)N3CCC[C@H](Cc4nccnc4N)C3)cn12 257331081 XRHAUMCMKUMEDV-CQSZACIVSA-N 350.426 2.110 0 40 FEAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cccc(COC)c2)n1 257220542 DLEFVYMFELGHMD-MRXNPFEDSA-N 356.426 2.187 0 40 FEAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2CC(=O)N(C)C)n1 257216199 CTNMKRIHLXLCKQ-MRXNPFEDSA-N 354.458 2.457 0 40 FEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 675828660 XEUCEAFKHQZSTQ-HXUWFJFHSA-N 374.444 2.462 0 40 FEAB Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961632 OJGQDSPSJBFNNM-ZBFHGGJFSA-N 353.430 2.012 0 40 FEAB COc1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c(N)c1F 1625828205 AFKFQNPLYVVPOZ-UHFFFAOYSA-N 373.432 2.364 0 40 FEAB O[C@@H]1CCN(Cc2ccccc2CNCc2ccccc2-n2cncn2)C1 1656071233 LVOLMWNMYUJYCD-HXUWFJFHSA-N 363.465 2.124 0 40 FEAB Cc1nn(CC(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c2ncccc12 1140248729 SEVHFSCRNPBUJE-GOSISDBHSA-N 363.465 2.125 0 40 FEAB Cc1[nH]c2c3ccc(Br)cc3nn2c(=O)c1CCC(=O)O 575440935 JCFQBQZKCBAVQJ-UHFFFAOYSA-N 350.172 2.264 0 40 FEAB CN1CC[C@H](COCc2ccncc2)CC12CN(CC1CCOCC1)C2 585102603 BWDBSYHVVRMWHG-FQEVSTJZSA-N 359.514 2.421 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4cccc(F)c4)CC3)C2)cn1 585104125 JECIHYCQXTVGQQ-UHFFFAOYSA-N 370.428 2.374 0 40 FEAB CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C[C@H]1O 95993561 BUJOZRWSCWJQEM-DZGCQCFKSA-N 372.462 2.066 0 40 FEAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 669211969 FJDRLALDXXJBAC-JKSUJKDBSA-N 358.467 2.307 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ncc(Cl)c(Cl)c1Cl 5359113 YAYUTFWZNDTZHR-SCSAIBSYSA-N 354.577 2.043 0 40 FEAB CCCC(=O)Nc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 5216721 SIJUILRPBOGIET-UHFFFAOYSA-N 350.378 2.413 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1nn(C)c(=O)c2ccccc12 5416105 BPKWXPILWZNTSW-ZENOOKHLSA-N 371.437 2.174 0 40 FEAB Cc1nccc(-c2ccc(-c3noc(CN4CCC(O)CC4)n3)cc2)n1 12337092 CRCMIXBLGZWHGB-UHFFFAOYSA-N 351.410 2.459 0 40 FEAB Cc1ccc(-c2csc(NC(=O)CCn3[nH]c(=O)ccc3=O)n2)cc1C 14169845 UNCRBAAYJNYMOY-UHFFFAOYSA-N 370.434 2.306 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 4514188 SZVUIEWBZQIIIH-IBGZPJMESA-N 361.417 2.385 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 4928554 AYDLEABGTCAWEG-UHFFFAOYSA-N 365.389 2.438 0 40 FEAB COc1ccc(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)cc1OC 6087183 STMASUAXFAPUCO-UHFFFAOYSA-N 374.422 2.374 0 40 FEAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)[C@@H]2CCOC2)CC1 1888856506 FJWGIGLNHSQCSQ-OAHLLOKOSA-N 373.428 2.119 0 40 FEAB OC1(CN2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)CCOCC1 1889082731 KVIFMVQYUOBRIL-UKRRQHHQSA-N 371.403 2.152 0 40 FEAB CC(C)(C)c1nc(CC(=O)N2CCNCCC23CCOCC3)cs1 1262557090 NTJCNWHDSYKVGU-UHFFFAOYSA-N 351.516 2.354 0 40 FEAB CNc1snc(C)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 16552332 AZFASUZIIUIYOD-UHFFFAOYSA-N 369.468 2.101 0 40 FEAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2ccc(Br)cn2)C1 238955560 XWZZBGQUMWGMNW-LBPRGKRZSA-N 371.231 2.167 0 40 FEAB Cc1ccnn1CCC(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037913138 VHSFMCBXCBGWAL-HXUWFJFHSA-N 357.454 2.404 0 40 FEAB CC(C)N(C)CC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 1614940627 RZSXRWDUNMXDRN-FQEVSTJZSA-N 372.469 2.103 0 40 FEAB Cc1nc(C(=O)N2CCOC[C@@]3(C[C@H](CN(C)C(C)C)CO3)C2)cs1 1565548008 WDXHSXYIIFMXHX-CRAIPNDOSA-N 367.515 2.039 0 40 FEAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)/C=C/c4cccs4)C3)C2)cn1 1565552979 FQOXSEGXXMFUDF-SNAWJCMRSA-N 370.478 2.306 0 40 FEAB COc1ccccc1CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 4359879 DHTFKWANHGYBMV-INIZCTEOSA-N 353.422 2.342 0 40 FEAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(Cl)cc1 4941298 ULCAAMDOCOSDIZ-AWEZNQCLSA-N 352.818 2.471 0 40 FEAB COc1cccc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c1 5223325 YKGBLYFEYZRVEY-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB O=C1CN(c2ccccc2NC(=O)NCCCc2ccccc2)CCN1 49027182 OCYKWGAIKNWFCI-UHFFFAOYSA-N 352.438 2.377 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NCCn1cc(-c2cccnc2)cn1 585148419 QQKQUGKRVMQJJI-UHFFFAOYSA-N 360.414 2.371 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCc2ccccc21 75155767 JQEFSFYDDKTJMR-LJQANCHMSA-N 356.447 2.297 0 40 FEAB CCOc1ccccc1C(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1 40030774 NEUMJKARPARJSY-UHFFFAOYSA-N 361.486 2.148 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)CCn3cnc4ccccc4c3=O)cc12 40040252 XYOIGYGSIUCRCO-UHFFFAOYSA-N 362.393 2.015 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 40153882 GMZRNLPROQHZHR-STQMWFEESA-N 358.394 2.437 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H]1COc2ccccc2O1 31242959 AJPGHWJWWVJDKM-OAHLLOKOSA-N 350.378 2.146 0 40 FEAB CC(C)(CNc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1 32871803 UAUUIJFEVLVQDH-UHFFFAOYSA-N 352.442 2.338 0 40 FEAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H]2CCCCNC2=O)CC1=O 42476684 YNZVIYHCJQTTCZ-ZMSDIMECSA-N 371.481 2.338 0 40 FEAB O=C(C[C@@H](CN1CCc2ccccc2C1)C(=O)O)Nc1cccc(O)c1 71282660 AUAHYZVWMZSTAF-INIZCTEOSA-N 354.406 2.480 0 40 FEAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C 76879449 NXLKUKPZJCOKRM-UHFFFAOYSA-N 362.393 2.466 0 40 FEAB COc1ccc([C@@]2(OC)Oc3cc(OC)ccc3C(=O)[C@@]2(O)OC)cc1 1674548 BBLDREXMAWMDML-RTBURBONSA-N 360.362 2.113 0 40 FEAB CCOc1ccc(CN(C)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1OC 24045627 DJCBKRNAMLCHKD-LJQANCHMSA-N 361.442 2.204 0 40 FEAB O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24861108 MZXFYZFOVJOOTG-CQSZACIVSA-N 354.362 2.016 0 40 FEAB CCN(CC)C(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063920 QVUQKJDYFRWYGM-UHFFFAOYSA-N 368.455 2.083 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccc(F)cc2F)o1 27983525 AKCPQMHRRHLBDO-NSHDSACASA-N 371.361 2.054 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25319854 YLBUZXPBRKAJGS-HUUCEWRRSA-N 370.405 2.088 0 40 FEAB CC(C)[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 12747744 XWDIXPZEKLOGHS-LJQANCHMSA-N 362.495 2.475 0 40 FEAB CCN(CC)CCCNC(=O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 20029586 ZZPQSBPIJRENPQ-UHFFFAOYSA-N 361.486 2.229 0 40 FEAB O=C(NC1CCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1)C1CC1 58173022 ARWUVXLWKZZCKP-INIZCTEOSA-N 359.445 2.090 0 40 FEAB O=C(NCc1ccco1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58209156 YGTXKSSRAFDXMR-SJORKVTESA-N 365.389 2.170 0 40 FEAB CCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2104579 NZHMWCAONPJEIE-AWEZNQCLSA-N 361.394 2.330 0 40 FEAB biogenic Cc1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Br)cc1 27994831 XVGXPQQPUWPEAC-UHFFFAOYSA-N 371.212 2.170 0 40 FEAB CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)cn1 36619063 HEFHOUNOJIRLRD-UHFFFAOYSA-N 351.345 2.399 0 40 FEAB Cc1ccccc1Cn1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cn1 28236472 JALYQULCEALEJB-UHFFFAOYSA-N 373.420 2.397 0 40 FEAB CCn1c(S[C@@H](C)C(N)=O)nc2ccc(Br)cc2c1=O 36810840 XUPPKORCXJDHPK-ZETCQYMHSA-N 356.245 2.145 0 40 FEAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 11665698 PUECKTKGZGDSKZ-AWEZNQCLSA-N 370.236 2.480 0 40 FEAB COc1cc(NC(=O)CSc2nnc3ccccn23)cc(OC)c1OC 3496179 KNRMBLKQFISYCW-UHFFFAOYSA-N 374.422 2.486 0 40 FEAB COc1cc(OC)cc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3547758 MQULMJJEJXDZSW-UHFFFAOYSA-N 365.407 2.173 0 40 FEAB Cc1nn(CCC(=O)NCCCn2nccc2C)cc1Br 2805207 YVOMYOBGUXUAAR-UHFFFAOYSA-N 354.252 2.056 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 12912585 RFDRHBIBPGBASL-MRXNPFEDSA-N 357.385 2.189 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)OC(=O)c2c(C)noc2C)cc1 13040529 QJNRUYSPXXVWRX-AWEZNQCLSA-N 373.409 2.242 0 40 FEAB O=S(=O)(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCCCC1 84452238 HMGCHQBZELDWIG-QGZVFWFLSA-N 352.456 2.229 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1csc(-c2cccc(Cl)c2)n1 39998379 IXVJBLOGOGJMNU-LLVKDONJSA-N 356.856 2.380 0 40 FEAB COCc1c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12 5203289 NDDXCUPKJGGWAR-CHWSQXEVSA-N 361.394 2.372 0 40 FEAB CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 6361859 IODCRJJRQQRUCI-ZDUSSCGKSA-N 352.456 2.147 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)CC1 5348651 SQBOASPFQJFMSR-UHFFFAOYSA-N 361.398 2.099 0 40 FEAB CN(Cc1ccc(Cl)s1)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 14111959 VSFUXYHGSMEHNJ-UHFFFAOYSA-N 362.846 2.243 0 40 FEAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 5611420 NLEJPCXPCJAIRU-UHFFFAOYSA-N 374.462 2.410 0 40 FEAB Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1N=CC[C@]1(O)C(F)(F)F 6925444 IPUFHSSVMMKFRQ-QMMMGPOBSA-N 364.633 2.175 0 40 FEAB C[C@@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)C(N)=O 7092864 JTZBDGXPVUJOIK-CYBMUJFWSA-N 350.378 2.024 0 40 FEAB CCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 7735751 VJNFYTMNPZUAIF-UHFFFAOYSA-N 356.831 2.260 0 40 FEAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8429416 RMKLFNPITJYTML-INIZCTEOSA-N 361.419 2.344 0 40 FEAB CCC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 8519896 QVLXMQCAXHQHAX-INIZCTEOSA-N 372.446 2.489 0 40 FEAB CCONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 17821485 LYZSHCCIBDAMNZ-UHFFFAOYSA-N 366.483 2.034 0 40 FEAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccn(CCc2ccccn2)n1 72277318 LCKKCOYPXBIVIP-CQSZACIVSA-N 355.442 2.154 0 40 FEAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)nsc32)cc(OC)c1O 66091688 WRLLWYZSZJCLMN-ZETCQYMHSA-N 350.352 2.038 0 40 FEAB O=C(NCCC1=CCCCC1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70815775 IBGNJCQDYGSRGA-UHFFFAOYSA-N 356.422 2.494 0 40 FEAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 120786829 ZFBMKTZQJPPVIQ-CZUORRHYSA-N 368.424 2.492 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)N1CCCC(C)(C)C1)c1ccccc1F 44842806 DGMISNQGFSMADT-UHFFFAOYSA-N 371.478 2.087 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2 40386751 YAFASTNXMKQJRS-QMMMGPOBSA-N 354.197 2.490 0 40 FEAB C[C@H](CC(=O)NCC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 199420388 IGQXDPCOCZWBKA-CQSZACIVSA-N 369.421 2.435 0 40 FEAB CN1CCC[C@@H](CNc2noc(-c3ccccc3)n2)[C@@H]1c1ccnn1C 573390692 LMJPQUKXJJRMKR-DOTOQJQBSA-N 352.442 2.965 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCC(C)CC2)n1 225900033 PARWJUXEAPOCMA-UHFFFAOYSA-N 353.492 2.044 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccsc1 96059769 HSHLRNNRNRMMDT-INIZCTEOSA-N 361.467 2.415 0 40 FEAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(Br)cc1F 95471826 AVADFXDDPYTZEB-UHFFFAOYSA-N 369.146 2.087 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1ccncc1)C2 96230461 HSNHTYGYMGEQJW-FQEVSTJZSA-N 354.429 2.144 0 40 FEAB CCn1nnc2c(N3CC(C(=O)Nc4ccccc4SC)C3)ncnc21 96096785 ZVBFOHHGRVJKCR-UHFFFAOYSA-N 369.454 2.038 0 40 FEAB Cc1cccc([C@@H](O)[C@@](Cl)(I)S(C)(=O)=O)c1 96520032 OGQNWPFZVBTHRB-NXEZZACHSA-N 374.627 2.401 0 40 FEAB CCOCC(C)(C)CNC(=O)c1c(C)nn(C)c1OC[C@@H]1CCCCO1 585084041 ZTABXSFZTWNDQG-HNNXBMFYSA-N 367.490 2.469 0 40 FEAB O=C1CCCN1CC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248009482 VCITZSNYUJSZRD-KRWDZBQOSA-N 368.437 2.181 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)cn1 248126754 MAHLNAYXFKDRTP-QGZVFWFLSA-N 366.465 2.400 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4cncs4)C3)ccnc12 257336947 YQSFNYYIDXZKNV-ZDUSSCGKSA-N 370.482 2.267 0 40 FEAB CCOc1ncccc1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257234365 GTFNOCBHMNLIGA-UHFFFAOYSA-N 353.426 2.377 0 40 FEAB CNC(=O)[C@@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257257234 KOQXYKMIOSAKHJ-NRFANRHFSA-N 366.465 2.196 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccccc2C)CC1 26311290 NOUNRGOPBDXDHM-CQSZACIVSA-N 353.488 2.169 0 40 FEAB Cc1ccsc1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 253598615 PSCFFHKGJOVGGY-CQSZACIVSA-N 368.466 2.427 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cnn2ccccc12 617587344 NUAQOKRGKXOKFV-KBXCAEBGSA-N 353.426 2.448 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC[C@H](C)c1ccccc1 624175969 OPOJWNJERVRFNL-NSHDSACASA-N 350.440 2.467 0 40 FEAB Cn1ncc2c(N3CCC(OCc4ccc(F)cc4)CC3)nc(N)nc21 656151678 TYKHDFWZCIAOIC-UHFFFAOYSA-N 356.405 2.270 0 40 FEAB COCC(C)(C)C(=O)N1CCCCC[C@H](Nc2cc(C)nc3ncnn23)C1 1615610130 CDHWKJGCSZQSPP-HNNXBMFYSA-N 374.489 2.288 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@]3(C)[C@H](C2)C3(F)F)c1C 294803664 UGVFFIFFQUNQJO-ZFWWWQNUSA-N 358.410 2.068 0 40 FEAB Cc1ccc(NC(=S)N(CCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575419939 BCGNNKILLGLGJS-CQSZACIVSA-N 370.496 2.046 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)C1(F)CCOCC1 585113111 ZYCSGSAJRHAOAM-QGZVFWFLSA-N 373.428 2.180 0 40 FEAB COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 66193464 OMDWKQFJFABFPD-ROUUACIJSA-N 372.513 2.401 0 40 FEAB Cc1cc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)ncn1 1775995010 KCNFXRGOIAQQOA-UHFFFAOYSA-N 364.457 2.207 0 40 FEAB COc1ccc2nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)sc2c1 85558540 CMDOIUOCJZQABK-CYBMUJFWSA-N 361.467 2.380 0 40 FEAB COc1ccc2c(c1)O[C@]1(CCCN(Cc3ccccn3)C1)CNC2=O 12086787 OGWZWJBAHYZUKQ-HXUWFJFHSA-N 353.422 2.247 0 40 FEAB Cc1nonc1C(=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12118532 OHBWKXQIGVWMNR-AWEZNQCLSA-N 350.382 2.250 0 40 FEAB Cc1nnsc1C(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407990 LLTYZCQAQHFJNB-UHFFFAOYSA-N 372.410 2.017 0 40 FEAB C[C@@H](C(=O)OCCOc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12781148 GJUFUMATMXMCHO-MELADBBJSA-N 361.369 2.087 0 40 FEAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1C 13038910 XKJVPWKFZVRNNY-OAHLLOKOSA-N 370.405 2.427 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 13960214 UXDJWMJAFYTNPD-XRGAULLZSA-N 357.797 2.252 0 40 FEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(Oc2ccsc2)CC1 575617925 BEDSGUAOBPYGNL-UHFFFAOYSA-N 359.451 2.252 0 40 FEAB O=C(NC[C@H](CO)c1ccc(Cl)cc1)NC[C@]12CCC[C@H]1NCC2 1120651659 XDQANDRBWXSJEA-QGPMSJSTSA-N 351.878 2.247 0 40 FEAB C[C@@]1(C(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)CC=CCC1 1565544039 BKUGXUHRSJBQLR-ZCDVPAHGSA-N 352.500 2.196 0 40 FEAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 2710751 AGISBIKRVJKILL-IUCAKERBSA-N 371.256 2.267 0 40 FEAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3ncccc3C)cn2)cc1 13807247 NLCMAAGBZDHVHE-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(C2CCCC2)CC1 23127380 KQKMQHKKPIHWQF-UHFFFAOYSA-N 361.461 2.213 0 40 FEAB O=S(=O)(NC[C@@H](OCCO)c1ccsc1)c1ccccc1Cl 575619315 CZXYPYYAPVGNTL-CYBMUJFWSA-N 361.872 2.430 0 40 FEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H](C)NC(=O)c3ccoc3)c2)n1 40154783 GLFQHZVSDAPVTD-LBPRGKRZSA-N 366.377 2.095 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1Cl 100646799 QDSLCHJCYYXTEW-RCVNGUSESA-N 363.797 2.328 0 40 FEAB COc1ccccc1CCNC(=O)CCc1nc(-c2cccnc2)no1 32824650 RAQRSGHLWVLFFU-UHFFFAOYSA-N 352.394 2.432 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102593658 ZEBFJNNBTIPDEX-LNMJFAINSA-N 369.417 2.142 0 40 FEAB O=C(c1ccnc(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1 32904569 KNAWGXVXRBYDKI-UHFFFAOYSA-N 374.876 2.011 0 40 FEAB CNC(=O)COc1ccc(C(=O)N2CCc3sccc3C2)cc1OC 53212177 XZJDCMIJUPFQBM-UHFFFAOYSA-N 360.435 2.080 0 40 FEAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cccnc1 3006030 JVZGQNZCGODJSB-UHFFFAOYSA-N 354.797 2.275 0 40 FEAB CCNS(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 879640 IFBOWQMDJGESIL-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB Cc1ccccc1OCCCNC(=O)N1CCN(c2ncccn2)CC1 78518873 WASPGSLPHFJKIE-UHFFFAOYSA-N 355.442 2.086 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)Nc2cccc(-c3nccs3)c2)C1=O 79104204 BWBDBPAMMQCZHL-CYBMUJFWSA-N 358.423 2.468 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)no1 23845927 QRGBLIBKAYYMFV-GOSISDBHSA-N 368.349 2.135 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccc2ccccc2n1 79606052 MDEFNOHTKYIQNE-UHFFFAOYSA-N 358.401 2.304 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1 3420313 YZHASFVBJFQAAR-UHFFFAOYSA-N 374.317 2.420 0 40 FEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 4196714 PPZYWGRLAWHOLR-BFHYXJOUSA-N 355.360 2.433 0 40 FEAB Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)n1 12556012 GFEFHYVIXUHTFP-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCc3ccccc3)ccc21 6767082 KWZAEIJMUNVFNH-UHFFFAOYSA-N 358.463 2.371 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)nsc2N)cc1 7547951 PZOXUNBFBIMTGE-VIFPVBQESA-N 362.411 2.176 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2F)ccc1OC 95993529 UOGSFXJWHYOGRS-UHFFFAOYSA-N 352.387 2.303 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 7927516 XOILSTVEBIFGGS-UHFFFAOYSA-N 358.391 2.343 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10331709 KUFCUACBWSIJFN-WDEREUQCSA-N 362.879 2.418 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 8276968 UOUIUOIISCZQML-INIZCTEOSA-N 358.394 2.137 0 40 FEAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 8847947 KQGNIOOYCZIUPK-UHFFFAOYSA-N 364.449 2.444 0 40 FEAB O=C([C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F)C(F)(F)F 103338374 KLEHINJTODMJFT-VAOFZXAKSA-N 372.290 2.204 0 40 FEAB Cc1ccccc1CN(C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 9501524 DJJWZMICKKRSAM-UHFFFAOYSA-N 361.467 2.021 0 40 FEAB NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 62149459 BDRQLAFSOSKONX-UHFFFAOYSA-N 373.412 2.292 0 40 FEAB NC(=O)Cn1c(CN2CCC[C@H]2c2cccs2)nc2ccccc2c1=O 58175439 KAFLYQMOCMIERD-HNNXBMFYSA-N 368.462 2.280 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10299220 LXOMBPNHBDHSJA-UHFFFAOYSA-N 354.454 2.457 0 40 FEAB CC1CCN([C@@H](C)CNC(=O)CCn2cnc3ccccc3c2=O)CC1 58245811 GQRXYIXHARGGDK-INIZCTEOSA-N 356.470 2.023 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C[C@H]1C=CCC1 58268206 GKLZCOIQHYLMIK-HNNXBMFYSA-N 357.454 2.378 0 40 FEAB COc1ccc(OC)c(NC(=O)CN2CCc3ccc(O)cc3CC2)c1 58297994 OENWZIPWRWUPMP-UHFFFAOYSA-N 356.422 2.449 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 2140753 WYHOSRXFNHMBJT-UHFFFAOYSA-N 358.394 2.332 0 40 FEAB Nc1nccnc1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 12764978 ONNAWDPTQGQUQE-UHFFFAOYSA-N 354.410 2.072 0 40 FEAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCc3sccc3C2)c1 10922024 GBOKOLUXVZZQEK-UHFFFAOYSA-N 360.435 2.080 0 40 FEAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 3332051 SAUCPRKDMXSCKG-LBPRGKRZSA-N 373.434 2.376 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)cc1 100217058 OFUVOVBRNOQWLL-XGHQBKJUSA-N 364.401 2.399 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1)C(=O)C2 104364061 CMTSKRVNGCMVNO-XUWXXGDYSA-N 365.451 2.127 0 40 FEAB CCOC(=O)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 29631729 CLIRESNLPHPONO-CYBMUJFWSA-N 352.818 2.192 0 40 FEAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CC(=O)N2 46224397 RWQQMJVOWIPGGY-WFASDCNBSA-N 355.438 2.150 0 40 FEAB COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1 2689536 VDZHYYUWCDMAPW-UHFFFAOYSA-N 367.409 2.487 0 40 FEAB aggregator O=C(COC(=O)c1ccc(Br)cc1)NC(=O)NC1CCCC1 3510637 YEDGWSIXRSGLBH-UHFFFAOYSA-N 369.215 2.374 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 13171265 WPCONENPQHYQGZ-AAOUONPWSA-N 351.786 2.448 0 40 FEAB c1nc2sc3c(c2c2nnc(SCCN4CCOCC4)n12)CCC3 13691854 YODXCGIBJVVZAQ-UHFFFAOYSA-N 361.496 2.252 0 40 FEAB CN1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)CC1 408558593 UXYVGAWJYPYQJQ-UHFFFAOYSA-N 374.432 2.240 0 40 FEAB CC1(C)Cc2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3cc2CO1 13734114 COOVLUHBEHLEQN-UHFFFAOYSA-N 364.405 2.282 0 40 FEAB COC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392544 SOMKOWDPYPRCPI-JTQLQIEISA-N 371.480 2.177 0 40 FEAB COc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3c(=O)[nH]2)cc1 5799928 BGTVUQRELCSMGE-UHFFFAOYSA-N 350.422 2.351 0 40 FEAB COCCCn1c(SCC(=O)Nc2cccc3ccccc23)n[nH]c1=O 7348376 FZUJKGDHXZGXIN-UHFFFAOYSA-N 372.450 2.492 0 40 FEAB Cc1nn(C)c2c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)ncnc12 28557397 OZSDYKGXFFCFLW-CMDGGOBGSA-N 362.437 2.034 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)ccc1O 7505927 AFVXMGMFCVSWOT-UHFFFAOYSA-N 354.771 2.002 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(F)cc1 7810956 MYRTWXNJWXFLRK-UHFFFAOYSA-N 355.369 2.490 0 40 FEAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)nc2nc(O)[nH]c(=O)c12 81408950 HGFVVMMAUFAGQB-TZMCWYRMSA-N 364.405 2.350 0 40 FEAB Cn1c(CN2CCc3sccc3[C@@H]2c2ccccc2)cc(=O)n(C)c1=O 8747808 RXQLDCGIHXJYDR-IBGZPJMESA-N 367.474 2.293 0 40 FEAB CCOCCCNc1nnc(SCC(=O)NCC(F)(F)F)s1 9952550 UKXHEMFTEBGEAB-UHFFFAOYSA-N 358.411 2.147 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 89920483 LDOBHHJNGWXQKQ-XJKSGUPXSA-N 354.454 2.431 0 40 FEAB CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709839 XTZZDSFLJMBHIN-UHFFFAOYSA-N 353.422 2.327 0 40 FEAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22528735 OHELAFBMQHJDLW-SUMWQHHRSA-N 360.435 2.091 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCCCC1 408594451 SBTVHKCVCPGFJV-HNNXBMFYSA-N 367.471 2.162 0 40 FEAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NC[C@@H]2CCCO2)Nc2ccccc21 72327029 FTKQZEGZNOQBTM-BCQGHKMKSA-N 369.465 2.270 0 40 FEAB O=C(CN1[C@H]2CC[C@H]1COC2)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 565584223 WJRTZBNWPCJAQC-QWRGUYRKSA-N 354.332 2.383 0 40 FEAB CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccccc1 36612821 KXCMAPVEOBFEKG-GOSISDBHSA-N 368.433 2.445 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCCCOCc1ccccc1 39995725 KWNBBJYTTIODEB-UHFFFAOYSA-N 351.406 2.120 0 40 FEAB COc1ccccc1[C@@H]1CN(C(=O)c2[nH]cnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72137250 YDNCOALMBSGUTK-PWIZWCRZSA-N 366.465 2.429 0 40 FEAB CCOc1ccccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 75162043 FSMWIMICPLTNFO-UHFFFAOYSA-N 356.430 2.271 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2)C1 225407888 QCVZJYLFZYHJSR-ZIFCJYIRSA-N 355.482 2.420 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)s1 223501734 RYMIMJUPEXPFJS-NSHDSACASA-N 368.484 2.461 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2 40386753 YAFASTNXMKQJRS-MRVPVSSYSA-N 354.197 2.490 0 40 FEAB COc1ccc(CN2C[C@H]3CN(C(=O)C4CCCC4)CCN3C2=O)cc1 85436073 YWBDXJCMRBTGBN-QGZVFWFLSA-N 357.454 2.334 0 40 FEAB biogenic,in-vitro Cc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 583619486 PIEJZPKSEDVCDP-WBVHZDCISA-N 359.861 2.371 0 40 FEAB O=C(c1ncccn1)N1CC2(C[C@H](CCOCc3ccncc3)CCO2)C1 247864415 NXPAHVCONQWTRP-MRXNPFEDSA-N 368.437 2.100 0 40 FEAB CC(C)(C)CN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604381755 MXHDXJMUFKFMLZ-GOSISDBHSA-N 372.513 2.335 0 40 FEAB biogenic,in-vitro O=S(=O)(NC[C@H](c1ccoc1)N1CCSCC1)c1cccc(F)c1 253405070 RSXRCPMFZMLORI-MRXNPFEDSA-N 370.471 2.487 0 40 FEAB O=C(CC1CCOCC1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257209688 BRMOEKQWFLSIOR-QGZVFWFLSA-N 357.454 2.397 0 40 FEAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1cc(C)on1 257314960 UZHDCWBJJCOHBX-ZHALLVOQSA-N 353.422 2.460 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1CC1CCOCC1 253590315 AFQRKOHGZPJDLF-AWEZNQCLSA-N 358.442 2.209 0 40 FEAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260903967 ZCCOTIOUZSLDJE-KGLIPLIRSA-N 356.488 2.401 0 40 FEAB C[C@H](C[S@](C)=O)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1O 597495304 JTMBSSIXCACILS-WYVULQQZSA-N 355.847 2.070 0 40 FEAB O=C(CCc1ccc2ccccc2n1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644227770 SUTCYJIOTRPKHG-SXLOBPIMSA-N 353.466 2.271 0 40 FEAB COC(=O)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 599112649 ZOZNEKCBYJNMGI-OUCADQQQSA-N 357.328 2.190 0 40 FEAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(Cl)c1)C2 585103102 QBNKVLLFYATTFZ-CQSZACIVSA-N 372.918 2.461 0 40 FEAB COCCc1cnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@H]2C 585098634 VWPGGKJCDUPFMF-ZDUSSCGKSA-N 353.426 2.176 0 40 FEAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N(C)C 40105659 NUHUKEMUHWUBRO-GFCCVEGCSA-N 350.843 2.260 0 40 FEAB CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1 74971356 BAJJCXUZZQYCGE-OAHLLOKOSA-N 354.472 2.458 0 40 FEAB CC(=O)N1CCCc2cc(NS(=O)(=O)C[C@H]3CCCCO3)ccc21 76936917 WQZPHXWFKLNVNU-MRXNPFEDSA-N 352.456 2.297 0 40 FEAB COc1ccccc1N1CCN(Cc2noc(C3CCOCC3)n2)CC1 104944488 IFJIAEIXXCVSLR-UHFFFAOYSA-N 358.442 2.294 0 40 FEAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1C 5084168 VITMFSOPXFADFD-UHFFFAOYSA-N 367.453 2.321 0 40 FEAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C)nc2c(Cl)cccc12 12147271 YANAWFGVMXULSG-HNNXBMFYSA-N 372.812 2.434 0 40 FEAB CCCNC(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184547 RNWCMUXPEFYFQV-ZDUSSCGKSA-N 351.834 2.411 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1F)n1nc(-c2ccco2)cc(N)c1=O 12219797 SMSYOGDOZLVGIP-LBPRGKRZSA-N 370.384 2.145 0 40 FEAB COc1ccccc1OCC(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228426 IWSHYQKVROQHMH-UHFFFAOYSA-N 367.409 2.147 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(-n2cnnn2)cc1 14139718 BZIOOLMTHAYWCZ-UHFFFAOYSA-N 370.800 2.074 0 40 FEAB COc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1 19330375 XRYVAIFBUYYBEG-UHFFFAOYSA-N 352.398 2.328 0 40 FEAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 19500627 UCLJJCHTVUKJLV-RBUKOAKNSA-N 370.501 2.121 0 40 FEAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 3479733 FABRAKNNZWONEF-CHWSQXEVSA-N 366.373 2.242 0 40 FEAB Cc1cc(N2CC[C@@](F)(C(=O)Nc3cccnc3)C2)n2nc(C)cc2n1 1888896952 JYTITQJUBSXBGJ-SFHVURJKSA-N 354.389 2.298 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839756 CHNALQIDCIDZOL-FQEVSTJZSA-N 372.444 2.347 0 40 FEAB COc1ccc(S(=O)(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1 2087171717 AWQGPAAQUDXMTE-UHFFFAOYSA-N 373.386 2.141 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565544877 UHTBEPVDKQGINL-UHFFFAOYSA-N 353.417 2.042 0 40 FEAB O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12)NC1CCCC1 4250049 RSBSVPWGNVHQGJ-UHFFFAOYSA-N 369.450 2.236 0 40 FEAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3F)CC2=O)cc1 9037045 VYLQGZIVFBSDLO-CQSZACIVSA-N 362.426 2.466 0 40 FEAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCOCC3)c(O)n2n1 22854270 GRQASOANQBSIRV-OAHLLOKOSA-N 374.466 2.489 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907370 PLHRCNKOBKBMAG-QGZVFWFLSA-N 355.438 2.020 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)Nc2nc3ccccc3[nH]2)c1 44168901 OLZFVTYBUGVHAR-NSHDSACASA-N 368.393 2.337 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1CCCN(C(=O)NCc2cccs2)C1 49028094 BBELKZMSBBVLQX-CQSZACIVSA-N 358.467 2.381 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCc2nc(C3CCNCC3)ncc2C1 19292209 LKAMQPMNSICVKO-UHFFFAOYSA-N 353.426 2.008 0 40 FEAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116639 MGWNQOUXAMGWKZ-MRXNPFEDSA-N 371.359 2.387 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 41096581 FSMWMDQMYQBULD-UHFFFAOYSA-N 370.471 2.281 0 40 FEAB NC(=O)[C@H]1CCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 32751348 PRBSDRVSUFXFDM-RBUKOAKNSA-N 351.450 2.036 0 40 FEAB CCc1noc([C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 32760191 NDEMXPNQYKLPGO-NSHDSACASA-N 370.500 2.197 0 40 FEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCN(C)c2ccccc2)c1 32837406 KFHZUCXNQJRNQI-UHFFFAOYSA-N 368.437 2.470 0 40 FEAB Cc1ccc(S(=O)(=O)NCCS(=O)(=O)Cc2ccccc2)cc1C 32916460 MKAFOCJMHOLVIM-UHFFFAOYSA-N 367.492 2.197 0 40 FEAB O=C(NCCN1CCOCC1)c1ccccc1SC[C@H]1CCCO1 52893791 CKUAWCPNTWWCNR-OAHLLOKOSA-N 350.484 2.020 0 40 FEAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1N1CCCC1=O 103176505 IWCTYDWYSUFLFV-BMEPFDOTSA-N 370.405 2.283 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)s1 53182146 YJJSKTDYBZZNRY-UHFFFAOYSA-N 364.492 2.247 0 40 FEAB COc1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1F 103510057 WAZSZEAXCWBUJJ-GASCZTMLSA-N 374.412 2.134 0 40 FEAB O=C(CNC(=O)c1ccoc1)NCCc1ccc(OC(F)(F)F)cc1 53798914 TXGOVZNHQXPRLD-UHFFFAOYSA-N 356.300 2.267 0 40 FEAB COc1ccc(CCC(=O)Nc2ccc(-n3cncn3)nc2)cc1OC 12538106 UTQQWIDBOYQPJN-UHFFFAOYSA-N 353.382 2.251 0 40 FEAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2095454 VCCHESGIJUNSBM-DIFFPNOSSA-N 361.394 2.348 0 40 FEAB biogenic COc1ccc([C@@H]2CCCN2c2ccc(S(N)(=O)=O)cn2)c(OC)c1 23804806 JSWAUXRTKYTZPB-HNNXBMFYSA-N 363.439 2.088 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 9095497 RBYMMBAEXARRHV-UHFFFAOYSA-N 374.462 2.380 0 40 FEAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(OCc2ccccc2)cc1 4122365 IIHSGMKTOKQENC-SFHVURJKSA-N 354.406 2.499 0 40 FEAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 7126565 DUMAPIXALHDQCP-IBGZPJMESA-N 370.409 2.341 0 40 FEAB COc1ccccc1CN(C)C(=O)COn1nnc2ccc(Cl)cc21 24925195 LGFXVHIHPSSZBT-UHFFFAOYSA-N 360.801 2.181 0 40 FEAB O=C(NCCO)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 8476877 IVMBBQOTTSMZAX-UHFFFAOYSA-N 360.776 2.449 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CN1CCC[C@H](C)C1 100142948 DGTDSTOXWANLNV-QRTARXTBSA-N 353.470 2.358 0 40 FEAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCn1ccnc1 48141541 OVVDUUWZSUURJW-SNVBAGLBSA-N 355.225 2.125 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 95389827 SZIYOUFFSIPUAQ-UHFFFAOYSA-N 362.407 2.324 0 40 FEAB Cc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 9515804 XIIXCIJTESFKNK-UHFFFAOYSA-N 354.453 2.046 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C 9602934 QOWCUMYXDKEHJC-VIFPVBQESA-N 367.862 2.462 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58190871 UTYZAIWYMIOKAT-PIGZYNQJSA-N 353.378 2.044 0 40 FEAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CC(=O)N1CCCc2ccccc21 3335631 ICXSUVUCRQLABH-KRWDZBQOSA-N 363.417 2.129 0 40 FEAB C[C@H]1CN(CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 58210700 QXBJAKQAYXHJHU-IRXDYDNUSA-N 371.485 2.171 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 113943254 LVTREXRFUANQEE-UHFFFAOYSA-N 362.407 2.487 0 40 FEAB COc1ccc(CCNC(=N)NCc2ccnc(-n3ccnc3C)c2)cc1 58369728 VFEZXNHBIKJOSR-UHFFFAOYSA-N 364.453 2.441 0 40 FEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 27934260 LZWRCZSFDHUXLU-GHMZBOCLSA-N 365.904 2.410 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)C1CCCCC1 10901572 WZCSDGUQDXAOMN-UHFFFAOYSA-N 373.497 2.178 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10928837 KJJSXGJNVBZHRS-UHFFFAOYSA-N 359.769 2.196 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 11203772 ZRPFZARUMYSORJ-SECBINFHSA-N 374.871 2.133 0 40 FEAB Cc1ccc(F)cc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 12868907 PGXATGPTAWMVER-UHFFFAOYSA-N 355.325 2.166 0 40 FEAB NC(=O)Cn1c(SCCOc2ccccc2Cl)nnc1C1CC1 46029120 HAFZCJXVCQOHKR-UHFFFAOYSA-N 352.847 2.465 0 40 FEAB O=C(CN1CCCCCC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 12889951 XMESTSXEOBLBIE-KRWDZBQOSA-N 350.484 2.083 0 40 FEAB COC(=O)[C@H](NC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C)C(C)C 2601589 WDMFVKPDPNGPPO-QDIHITRGSA-N 354.491 2.267 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 46786175 MFRWAHJPTISRSH-KDOFPFPSSA-N 356.451 2.324 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 47031458 LDOSZHARRQTMBC-CQSZACIVSA-N 366.439 2.022 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 38832888 WIHDARVWUZDXAX-KDOFPFPSSA-N 374.462 2.481 0 40 FEAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)CCc1cnccn1 95458252 TXIJUMSYGUZZKA-CYBMUJFWSA-N 350.430 2.223 0 40 FEAB Cc1cc(C)cc(NC(=O)C[C@@H]2NC(NCc3ccccc3)=NC2=O)c1 13685331 BIKDZAWGTROCCE-KRWDZBQOSA-N 350.422 2.276 0 40 FEAB NC(=O)CSc1nnc(SCc2nnc(-c3ccccc3)o2)s1 6107395 XXXIBVMOLYPEPZ-UHFFFAOYSA-N 365.465 2.458 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1 39995680 DUFGANCPPNRMMD-HXUWFJFHSA-N 352.434 2.485 0 40 FEAB O=C(COC(=O)[C@H]1CC=CCC1)NCC(=O)Nc1ccc(F)c(F)c1F 6345551 GTZIBGSHPMKYBL-JTQLQIEISA-N 370.327 2.058 0 40 FEAB COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 9367114 ICPDJUOHVCMVBU-LBPRGKRZSA-N 352.394 2.179 0 40 FEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 6619165 QFODSPCJKNHTLM-LJQANCHMSA-N 361.417 2.432 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1 14867607 HPERLUDOTAKJCR-UHFFFAOYSA-N 355.437 2.208 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 5876303 PETCQWLDLVWXKC-RDTXWAMCSA-N 363.435 2.395 0 40 FEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1 15832025 BPRRISKTWVWFHA-LLVKDONJSA-N 366.468 2.354 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 7505436 PJBGPHMFDQWHLN-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB COc1ccc(-c2nnn(CC(=O)Nc3ccccc3F)n2)cc1OC 7655249 LLLITHROULLNFK-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB C[C@@H](C(=O)NC1CC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 7607151 XGDOCZMHBSLXIW-JTQLQIEISA-N 359.348 2.123 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(CCOc2ccccc2F)CC1 24045826 OIIMGPFKKDMAES-UHFFFAOYSA-N 364.442 2.211 0 40 FEAB CCOc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 8756360 UAVTZXBZCGSIQL-UHFFFAOYSA-N 373.434 2.421 0 40 FEAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(Cl)cc3)c(C)nn12 8990589 MXSRZZKOHCROSS-UHFFFAOYSA-N 374.784 2.255 0 40 FEAB COCCN(CC(=O)N1CCn2cccc2[C@@H]1C)C(=O)OC(C)(C)C 72284748 RZQDIZUMVTWTBL-AWEZNQCLSA-N 351.447 2.275 0 40 FEAB CC(C)(C)CCS(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1 72313015 LWEFQVVXUJHSKS-UHFFFAOYSA-N 354.472 2.337 0 40 FEAB COC(=O)NCCCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 89401111 OLKBYUIKYPUSME-KGLIPLIRSA-N 374.359 2.476 0 40 FEAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCCCC1)C(=O)O 61721392 QFAFLLHALNTDQQ-NSHDSACASA-N 354.428 2.050 0 40 FEAB CCn1c(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2cc(F)ccc21 60375409 KKTBOVZKMRYZJQ-UHFFFAOYSA-N 374.441 2.405 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1N 409106373 NAZRDWSHRQGLCZ-KBPBESRZSA-N 359.499 2.464 0 40 FEAB CCOC(=O)c1ccc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nc1 24054950 FUWPGNWDENBILG-CQSZACIVSA-N 358.394 2.329 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCc3ccc(F)cc32)ncn1 173427376 WVLKELKYNNAYQC-OAHLLOKOSA-N 370.432 2.399 0 40 FEAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408607914 QZFLULFOHAPIRO-CQSZACIVSA-N 356.488 2.401 0 40 FEAB CN(C)c1cccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)n1 566022401 HFCQZQFHFIUQQH-UHFFFAOYSA-N 358.417 2.053 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(SC)s2)cc1 225621385 JCIVSDYFIYMUCW-UHFFFAOYSA-N 372.497 2.298 0 40 FEAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ncn[nH]3)C2)n1 220816839 TUGNYUQDSPICKH-CYBMUJFWSA-N 352.398 2.258 0 40 FEAB CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(C(=O)CC(C)C)CC2 96143605 YROPFIRUSYGYEP-ZWKOTPCHSA-N 363.546 2.460 0 40 FEAB N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 91301931 MNMPQDIVOLKXTL-LLVKDONJSA-N 359.401 2.491 0 40 FEAB COc1ccc(CN2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)cc1 96243984 CKYJNYVVKFXLEU-HXUWFJFHSA-N 354.454 2.225 0 40 FEAB Cc1cccc(C(=O)N2CC[C@@]3(C[C@H](Nc4ncccn4)CCO3)C2)n1 96208548 ZRMULXDTWWLEDN-DNVCBOLYSA-N 353.426 2.056 0 40 FEAB Cc1occc1C(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96237685 BQCNWZIBFTYRCP-SFHVURJKSA-N 359.451 2.213 0 40 FEAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4ccoc4)CCO3)C2)cs1 96049808 TWTCRMRBRMMVPS-GOSISDBHSA-N 363.483 2.148 0 40 FEAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257295202 QXKFTIPEZKXUDC-LJQANCHMSA-N 358.417 2.028 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 254705493 IPUBDPDXCWXANN-HUBLWGQQSA-N 356.875 2.411 0 40 FEAB CO[C@H]1CCCOC12CCN(C(=O)c1ccc(-n3ccnc3)nc1)CC2 257240176 HSLJNNUCTLECQV-INIZCTEOSA-N 356.426 2.068 0 40 FEAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1ccc(Br)s1 618256440 IHESYAMQKGVGLZ-NSHDSACASA-N 352.275 2.260 0 40 FEAB CN1CCC(n2cc(NC(=O)c3ccc(Cc4nc[nH]n4)cc3)cn2)CC1 1642672136 JMXJCVCUMRUKTF-UHFFFAOYSA-N 365.441 2.111 0 40 FEAB Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H](N)CC3)n(C2CCOCC2)n1 638157448 XSTDSDRVLFRJIP-CQSZACIVSA-N 355.442 2.006 0 40 FEAB O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCC(Oc2ccc(F)cc2)CC1 662462869 RWPACLVIYSNMEH-ZDUSSCGKSA-N 358.417 2.309 0 40 FEAB COc1cc2c3c(c1)[C@](O)([C@H]1COCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816502 JCSNJPRMWGCWQI-YWZLYKJASA-N 357.406 2.031 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NC[C@](C)(OC)c1ccccc1F 96391345 ZYTJYEDQZSKFNG-FQEVSTJZSA-N 374.412 2.129 0 40 FEAB CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCc2cccs2)c1 67358716 TXAPTDUQRPNKLN-GFCCVEGCSA-N 367.496 2.259 0 40 FEAB COc1cccc(CC(=O)Nc2cc(Br)cn(C)c2=O)c1 75107377 SJELQFSCFMNDRE-UHFFFAOYSA-N 351.200 2.338 0 40 FEAB CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 78648314 FTYSJQHGXJUNQX-UHFFFAOYSA-N 358.508 2.492 0 40 FEAB O=C(COC(=O)[C@@H]1CCCN1c1nccs1)NCc1ccc(F)cc1 97001785 IHGVLZNLNAJUJS-AWEZNQCLSA-N 363.414 2.111 0 40 FEAB CN(C[C@@H]1CCCN(Cc2cc(C(=O)O)ccc2Cl)C1)S(C)(=O)=O 572304490 ROIMYQLPYFYAFX-LBPRGKRZSA-N 374.890 2.142 0 40 FEAB Cc1cc(C)n(CC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121774 FIYYKCLXKDWLGO-UHFFFAOYSA-N 355.438 2.470 0 40 FEAB CCCn1nc(CC(=O)N(C)CCN2CCCCC2)c2ccccc2c1=O 12238146 YFWZZQGCTZJCHG-UHFFFAOYSA-N 370.497 2.293 0 40 FEAB Cc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1 19217206 AJOZAFCMQVPZNC-HNNXBMFYSA-N 374.510 2.356 0 40 FEAB C[C@H]1CN(CN2C(=O)C(=O)c3cc(Br)ccc32)C[C@H](C)O1 19848285 CLPXVDFQKMDAFU-UWVGGRQHSA-N 353.216 2.045 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 6462570 KGWUPIAWIJTFNS-VMPITWQZSA-N 350.835 2.263 0 40 FEAB CCOCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCC1 643558462 NMYBVZQXYQGGNB-UHFFFAOYSA-N 368.861 2.498 0 40 FEAB CNC(=O)[C@@]1(COC)CCCN1Cc1c(F)cccc1Br 643829235 TXINROGMNAVNML-HNNXBMFYSA-N 359.239 2.315 0 40 FEAB COCC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19235410 JFBAXOWCEUOWAR-HXUWFJFHSA-N 366.461 2.426 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](CC(C)C)C(=O)O)CC2)cc1C 569612398 WHRVXFAFWLUPMG-KRWDZBQOSA-N 368.499 2.109 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCc2ccc(F)c(F)c2)C1 583618735 BYOBSAXNNPQFHN-CJNGLKHVSA-N 359.380 2.407 0 40 FEAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccc(Cl)c2)C1=O 4789268 KBJKCJOVZPFLFQ-LLVKDONJSA-N 365.817 2.108 0 40 FEAB COC(=O)Cc1cc(O)nc(SCC(=O)Nc2ccc(C)cc2C)n1 5117222 HZTYQIZHDMZGAU-UHFFFAOYSA-N 361.423 2.245 0 40 FEAB O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056224324 XKEUSUUJQFYYNF-VQIYKNCMSA-N 359.514 2.460 0 40 FEAB CSc1ccc2nc(N3CCN(c4ccc(=O)n(C)n4)CC3)sc2c1 2086992589 WHZPYJVCLCNJNK-UHFFFAOYSA-N 373.507 2.439 0 40 FEAB O=C(Cc1ccc(F)cn1)N1Cc2[nH]nc(COc3cccnc3)c2C1 1565549578 ZYMRNKKEJDJHGL-UHFFFAOYSA-N 353.357 2.003 0 40 FEAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCCN1CCOCC1 23127261 PFNTXDRZAOUKKI-UHFFFAOYSA-N 355.394 2.079 0 40 FEAB CCN(CC)C(=O)CN1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 40050673 ADYLUBAPPNYFRV-UHFFFAOYSA-N 370.497 2.411 0 40 FEAB CCCC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)C1 40156601 NGBDLNILVXOLNI-MRXNPFEDSA-N 362.470 2.401 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccnc1OC1CCCC1 40154352 YGHZZEDQEKIDLI-ZDUSSCGKSA-N 357.410 2.431 0 40 FEAB Nc1nccnc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 21384821 QXMOMLQPHCHUHY-UHFFFAOYSA-N 365.359 2.036 0 40 FEAB Cc1cc(COC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)on1 32868746 YCKOFDWLHLYXDJ-UHFFFAOYSA-N 350.396 2.089 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 32913893 HTEWOFUZLBUCNY-PBHICJAKSA-N 365.437 2.034 0 40 FEAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1C 32946959 PNLDMKHIIFIXGP-VXGBXAGGSA-N 350.444 2.159 0 40 FEAB Cn1c(SCC(=O)N2CCCCC2)nnc1[C@@H]1COc2ccccc2O1 22007405 DYTHERLIARBTJS-HNNXBMFYSA-N 374.466 2.432 0 40 FEAB O=C(Cc1csc(Cc2ccccn2)n1)NCc1nnc2ccccn12 41687480 UVCSUDGGHNLMKT-UHFFFAOYSA-N 364.434 2.031 0 40 FEAB COc1ccc(CCC(=O)Nc2nnc(-c3ccccn3)[nH]2)cc1OC 53524142 BSYHTXXSLGXIKW-UHFFFAOYSA-N 353.382 2.455 0 40 FEAB CN(c1ccc(F)cc1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 53668656 WUCGTCZFPZMMGA-UHFFFAOYSA-N 367.354 2.120 0 40 FEAB COc1ccc(NC(=O)c2ccccc2OS(=O)(=O)N(C)C)cc1 3052234 GGWBSHPTEYWUIN-UHFFFAOYSA-N 350.396 2.133 0 40 FEAB COCCn1cc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cn1 79068874 XIOWLBFQUMSIJA-UHFFFAOYSA-N 369.429 2.167 0 40 FEAB CC(=O)Nc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 42783180 ZEGQNCUSESZLIG-GJZGRUSLSA-N 364.398 2.486 0 40 FEAB COc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1OC 3626809 NKHJAXSFYRFXTD-OAHLLOKOSA-N 359.378 2.415 0 40 FEAB CC(C)[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)N1C[C@@H](C)O[C@H](C)C1 106142547 SBYYRAXEEKWANK-IIDMSEBBSA-N 374.485 2.289 0 40 FEAB CN1CCC[C@@H]1CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4984051 HQUUQCQLIKSKCG-UFSZVFTQSA-N 366.465 2.386 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(O[C@H](C)CC)c1 6462645 ARRGTAALRWMSDH-LLVKDONJSA-N 362.459 2.387 0 40 FEAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1cccs1 6528451 FSZXCILCDCIPLM-NWDGAFQWSA-N 359.476 2.044 0 40 FEAB biogenic CCCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6597160 AQGWTQNATUAJRG-UHFFFAOYSA-N 356.488 2.306 0 40 FEAB CC(C)NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1 7318338 PLGZXRTWHFKBIH-UHFFFAOYSA-N 359.499 2.480 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccsc1 25331531 SBQOAMMUDUSFKR-HNNXBMFYSA-N 367.496 2.152 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1F)c1ccccc1Cl 8810337 GQHRDJYQQIKNSN-UHFFFAOYSA-N 372.805 2.002 0 40 FEAB O=C(NC1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1)C1CC1 57170809 FWRNPHJEHYLERB-LJQANCHMSA-N 369.509 2.416 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cn1C 58171573 SUOADIFZPDSVKA-KRWDZBQOSA-N 373.478 2.225 0 40 FEAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cnccn2)CC1 25343281 OMIFLMRERNGZEN-UHFFFAOYSA-N 350.344 2.387 0 40 FEAB NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3O)c2)CC1 53996595 LKHFTWRLCZCVDE-UHFFFAOYSA-N 353.422 2.342 0 40 FEAB O=C(Nc1cn[nH]c1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 58202863 NNNBNXKBGJFQQC-UHFFFAOYSA-N 362.436 2.202 0 40 FEAB C[C@H](CCc1ccco1)NC(=O)COc1cccc(S(C)(=O)=O)c1 48228545 SFKHAZPHEAPVOY-CYBMUJFWSA-N 351.424 2.199 0 40 FEAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)c1 2254032 BVGUAVQAYRFTFL-SXGWCWSVSA-N 355.488 2.472 0 40 FEAB CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252970 FXXVKELMBLVXAY-LBPRGKRZSA-N 372.487 2.408 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc(F)c(F)c1)CS2 3366874 PQGSSDAVBVQKGN-LRDDRELGSA-N 355.362 2.145 0 40 FEAB CCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)N(C)CC)CC1 95432804 YAZYADOJEYDAHD-UHFFFAOYSA-N 360.546 2.171 0 40 FEAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1 48355708 GADZMBSUMCQERR-GFCCVEGCSA-N 350.415 2.283 0 40 FEAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1 10112538 MPPWJNDVSRBJFG-UHFFFAOYSA-N 367.515 2.300 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 11973937 PFAPODXTMJDMKU-UHFFFAOYSA-N 358.401 2.463 0 40 FEAB biogenic COc1cccc(C(N)=O)c1OCC(=O)N[C@H]1CCCc2ccccc21 12876534 YQRUWQXMTMNTQT-INIZCTEOSA-N 354.406 2.367 0 40 FEAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4cocn4)C[C@@H]23)n1 306142491 XAPPKIGAUIZBLR-ZVZYQTTQSA-N 357.410 2.072 0 40 FEAB COC(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)cc(C(=O)OC)c1 3565693 UAFXNQFVBUJRNR-INIZCTEOSA-N 371.345 2.038 0 40 FEAB CC(=O)c1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)nc1C 95450924 XBRUJZVRMSBECP-HXUWFJFHSA-N 352.390 2.381 0 40 FEAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 13018435 LXTMHRPXYCUUET-UHFFFAOYSA-N 359.769 2.234 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 95478532 FXOVCRUBZWPUAY-SFHVURJKSA-N 354.454 2.334 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCCCN1CCOCC1 65475830 QNWNUGDAMSPWMW-UHFFFAOYSA-N 374.485 2.121 0 40 FEAB COc1ccc(CC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(OC)c1 14140067 UGGNTCUOWRHADA-UHFFFAOYSA-N 373.434 2.203 0 40 FEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4548810 RDCPUXAWLUTMGS-ITTMYVLYSA-N 351.380 2.389 0 40 FEAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 4550977 QPNHSOBPFBSVAQ-QFBILLFUSA-N 365.433 2.378 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5426901 GRVAUHYUMMIMFZ-ROUUACIJSA-N 364.401 2.160 0 40 FEAB COc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 4776475 WAKIXKULVVKCSO-UHFFFAOYSA-N 362.451 2.138 0 40 FEAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCCc2ccc(F)cc21 90142304 XYINPBCHRRLABP-INIZCTEOSA-N 354.385 2.206 0 40 FEAB CN(CC[C@H]1CCCCN1C)CC(=O)NC[C@@H](c1ccccc1)N(C)C 95941566 BWCRJRATABFZQV-UXHICEINSA-N 360.546 2.212 0 40 FEAB C[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 7801807 QPLROISVVUVYGD-CQSZACIVSA-N 360.454 2.268 0 40 FEAB CC(C)=C[C@H]1[C@H](C(=O)OCCOCCNC(=O)C(F)(F)F)C1(C)C 95997389 NLSCHFVWRSVWHT-NWDGAFQWSA-N 351.365 2.463 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)s1 8232751 OQAWEGHBWGXQHE-LLVKDONJSA-N 356.856 2.002 0 40 FEAB O=c1[nH]c2ccccc2n1C1CCN(c2nnnn2-c2ccccc2)CC1 8325068 KSEDJDPSSXJVJX-UHFFFAOYSA-N 361.409 2.147 0 40 FEAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 17073299 GEPIJSOBKPDQKK-YQEWQEHLSA-N 354.410 2.402 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 8775819 NNNRBQQEHRLAGF-UHFFFAOYSA-N 369.446 2.214 0 40 FEAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccccc1F 89662347 ZJEBYLKCBKRJBB-CABCVRRESA-N 352.406 2.119 0 40 FEAB Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2ncnc2n1 35310956 ZZAWCJXHXPPMRP-UHFFFAOYSA-N 368.416 2.105 0 40 FEAB NC(=O)c1cncc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)n1 301726953 VNQMISFMNIGETH-SJLPKXTDSA-N 351.454 2.066 0 40 FEAB Cc1cc(=O)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c[nH]1 524735397 ACYFPJIJGXXDEK-HNNXBMFYSA-N 352.394 2.302 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C 408561234 RLSWBOBJRXHIKY-LBPRGKRZSA-N 366.414 2.448 0 40 FEAB O=C(NCCc1ccc(F)cc1)c1c(-n2cnnn2)sc2c1CCC2 36357231 JQLQVWPMOLACIO-UHFFFAOYSA-N 357.414 2.324 0 40 FEAB CC(=O)N1CCC(N2CCC[C@H](c3nccnc3-n3ccnc3C)C2)CC1 72350688 OMECVYPFSQHTCF-KRWDZBQOSA-N 368.485 2.161 0 40 FEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 36735113 POMGNNQCGADPQH-KMTJZVEASA-N 354.454 2.382 0 40 FEAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SC)nnc12 33169989 NJVRRDFOGDKQNQ-NSHDSACASA-N 359.455 2.071 0 40 FEAB Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C2CC2)c1 35999951 FGNACIRHNOWPCC-SQNIBIBYSA-N 369.465 2.372 0 40 FEAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217451122 FMSOXIBRVWLKLO-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB COc1cccc(-n2cc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)nn2)c1 565757190 UDTMEGOVDTYJKC-YZVOILCLSA-N 369.469 2.078 0 40 FEAB COc1ccc2ccccc2c1CNC(=O)N1CCOC[C@H]1c1nc[nH]n1 563016598 KVIDBGCXFLYBPA-INIZCTEOSA-N 367.409 2.250 0 40 FEAB COc1ccccc1N1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 225516559 NTHNYLNOSBKCHF-HNNXBMFYSA-N 354.454 2.180 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](Oc2cnccn2)C1 225477310 IEDAGKXYWUVIAZ-HNNXBMFYSA-N 370.434 2.257 0 40 FEAB O=C(Nc1ncn(Cc2cccnc2)n1)c1ccnc(OC2CCC2)c1 95445143 AIQYEZBZXCEITN-UHFFFAOYSA-N 350.382 2.300 0 40 FEAB O=C(c1ccncc1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96209142 GPLCIWYBUYXOCT-OAGGEKHMSA-N 354.410 2.062 0 40 FEAB Cc1oc2ccccc2c1C(=O)N1CCC(CNS(C)(=O)=O)CC1 585082246 PHSDVWFDRXZXKV-UHFFFAOYSA-N 350.440 2.143 0 40 FEAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596858 WNGAUFNQWOMJDC-VGJAGTOYSA-N 358.438 2.094 0 40 FEAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2sc(C)nc2C)n1 257221513 DPJMGEAEWPJBPP-OAHLLOKOSA-N 359.455 2.163 0 40 FEAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH]cn2)CCO1 257202305 ALFCEEVWQMOBRQ-CQSZACIVSA-N 371.466 2.295 0 40 FEAB Cc1noc(C)c1C(=O)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 251974348 CZZTZXIYNUYZEI-JYJNAYRXSA-N 357.410 2.243 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCNc2ccc(-n3cccc3)nn2)c1 90607785 OHFFLDULKHRUFS-UHFFFAOYSA-N 371.466 2.275 0 40 FEAB C[C@@H](Oc1ccc(NC(=O)[C@@H]2CCc3ncncc3C2)cc1F)C(=O)O 630260768 OUJYLCSXAJBGAT-GHMZBOCLSA-N 359.357 2.211 0 40 FEAB O=C(NCc1ccc2c(c1)COC2)NCc1cnn(CC(F)(F)F)c1 676246140 DNVIYXYCYLJEKK-UHFFFAOYSA-N 354.332 2.475 0 40 FEAB CC(C)(C(=O)O)C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 573004016 JUEFPUXGEIEFDG-GFCCVEGCSA-N 365.405 2.297 0 40 FEAB CN1CCC(CN2CC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1 585100965 MUVIVNKLHAUJBI-LJQANCHMSA-N 365.493 2.062 0 40 FEAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ccnc2ncnn12 19569611 ZHZMVYMFLYSWJZ-HNNXBMFYSA-N 351.410 2.429 0 40 FEAB Cc1cccn2cc(C(=O)N[C@H]3CC(=O)N(c4ccccc4F)C3)nc12 19719055 YOIZAQFCUUPNAA-ZDUSSCGKSA-N 352.369 2.317 0 40 FEAB O=C(CS(=O)(=O)C1CC1)N1CCn2c(cc3ccc(Cl)cc32)C1 649950945 URYWEJSDXJCGNU-UHFFFAOYSA-N 352.843 2.214 0 40 FEAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3557952 DWBDXPFXLGVRRC-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB Cc1csc(CCNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 41882899 SCZPKFPDCWGIHW-UHFFFAOYSA-N 369.349 2.070 0 40 FEAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 5328920 RZPRRAHAOHNJAK-UHFFFAOYSA-N 352.437 2.027 0 40 FEAB Cn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)cc2cccnc21 5303454 RJOSWBHGLSZQSB-UHFFFAOYSA-N 366.396 2.035 0 40 FEAB O=C([C@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCC(F)(F)CC1 2086884355 GIGOCWDYLNTDCH-GFCCVEGCSA-N 363.767 2.337 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2ccc(O)cc2)NC(=O)N3)cc1 12346433 IPFIOLUCXYOGNB-GOSISDBHSA-N 365.389 2.051 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H](c3nn(CCN)c4ncccc34)C2)cs1 19571636 HPAZYJBRIGYYSC-CYBMUJFWSA-N 355.467 2.390 0 40 FEAB Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 49026882 MGCIYIJMLDJWKQ-GFCCVEGCSA-N 365.329 2.499 0 40 FEAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1CC(=O)Nc1ccccc1 6816849 BPAJCDWSWHIBLL-UHFFFAOYSA-N 361.365 2.216 0 40 FEAB CNC(=O)[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1 40152930 RLEADACESRIQSN-SFHVURJKSA-N 356.447 2.380 0 40 FEAB COC(=O)CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 40150907 MOJKLJWSOKKQKO-UHFFFAOYSA-N 352.390 2.387 0 40 FEAB CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)CC)C(F)(F)F 20828795 AWNJHVMLZCCILB-CQSZACIVSA-N 350.312 2.263 0 40 FEAB C[C@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)Cc2ccccc2C(=O)O1 32772626 LJLSEUWLLQGZTK-GOSISDBHSA-N 359.403 2.200 0 40 FEAB NC(=O)c1ccn(-c2cccc(NC(=O)c3cc4ccccc4[nH]c3=O)c2)n1 32932483 OFWCBMJECAHUKZ-UHFFFAOYSA-N 373.372 2.065 0 40 FEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCCc1ccc(F)cc1 41624491 BKILBIOFQJOBOM-NJAFHUGGSA-N 362.445 2.291 0 40 FEAB O=C(CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(Cl)cc1 54191409 GCNLJTBXOVWXAD-CYBMUJFWSA-N 373.844 2.101 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2ccnc2)nc1 24663316 LZABNTPELGKLPB-HNNXBMFYSA-N 350.378 2.179 0 40 FEAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 801251 WTRQFPYSFZDAGI-UHFFFAOYSA-N 354.472 2.011 0 40 FEAB CCC(CC)[C@H](CNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)N(C)C 97166146 HVNRJINOAYSSSR-SFHVURJKSA-N 369.531 2.314 0 40 FEAB C[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 106796020 DOMBBNVORIYUJO-JMCQJSRRSA-N 364.204 2.089 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79056702 YGFVSEXCIMYTFU-CABCVRRESA-N 369.506 2.443 0 40 FEAB O=C(c1ccc[nH]c1=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 57034081 RHNDFASHKAEDGJ-UHFFFAOYSA-N 353.209 2.039 0 40 FEAB O=C(c1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCSCC1 6251622 HHGMWDLUKORYPZ-UHFFFAOYSA-N 361.448 2.139 0 40 FEAB Cc1cc(OCC(=O)OCc2nc(N)nc(N)n2)c(C(C)C)cc1Cl 7182092 ZHXPRMNJXRKWDS-UHFFFAOYSA-N 365.821 2.243 0 40 FEAB CC(C)[C@H](C)NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801615 AASMSBLZVNSKGP-AWEZNQCLSA-N 362.470 2.418 0 40 FEAB CC(C)c1nnc(CNC(=O)CCc2cnn(-c3ccccc3)c2)n1C 95467352 DWOMOCULYSMVEZ-UHFFFAOYSA-N 352.442 2.373 0 40 FEAB NC(=O)NC(=O)CN1C[C@H](c2ccccc2)O[C@@H](c2ccc(F)cc2)C1 58209529 FEDMIJCTNXGCQC-IAGOWNOFSA-N 357.385 2.135 0 40 FEAB COCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)C)n[nH]2)cc1 58222861 WAWYYGCZSMBBPJ-UHFFFAOYSA-N 351.428 2.206 0 40 FEAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cnn(-c2ccccc2)c1 10926979 CXQHECBLFIYXLY-CQSZACIVSA-N 368.462 2.471 0 40 FEAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 9926965 WOQHHZAMGVZBHM-CYBMUJFWSA-N 371.220 2.422 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccccc2)CC1 58904448 JEHLQESRFKGHND-UHFFFAOYSA-N 365.477 2.402 0 40 FEAB CCN(CC)[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 73557666 PBTNFOWMUWUIDR-ZBFHGGJFSA-N 365.499 2.031 0 40 FEAB CC(C)c1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(O)c(C(C)C)c1 11422746 QOTXZQPEMQIJSD-UHFFFAOYSA-N 374.437 2.393 0 40 FEAB CCN(CC)[C@H](CNC(=O)Cn1ccccc1=O)c1cccc(OC)c1 45827564 PURPQKZYWVHIGY-GOSISDBHSA-N 357.454 2.056 0 40 FEAB O=C(NC1CCCCC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29506471 FBAGDDQWMJMVEL-CVEARBPZSA-N 350.459 2.417 0 40 FEAB Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CCOCC2)c(C)c1C 20421091 LLJWBLAZNFIJNC-UHFFFAOYSA-N 354.516 2.229 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(C)C 47651571 XOMXIHIMEVOKPF-ZETCQYMHSA-N 358.769 2.114 0 40 FEAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1 3363285 LHCAUOXOVKFEPJ-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1 3372866 YXDUEEQYUOJFME-SFHVURJKSA-N 357.435 2.140 0 40 FEAB CC(C)[C@@H](N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 12865906 QAPCXHUSJBARQH-USXIJHARSA-N 352.500 2.007 0 40 FEAB O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3556690 KSTDAUKSXHPDRR-MDZDMXLPSA-N 374.437 2.372 0 40 FEAB COC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)CC1 9253438 YPOJRDDETNZBAY-UHFFFAOYSA-N 366.468 2.037 0 40 FEAB O=C(O)/C=C/C(=O)N1N=C(c2cccs2)C[C@@]12C(=O)Nc1ccccc12 13629619 WQJYUFZTPJGUNJ-LKGOPFMKSA-N 367.386 2.173 0 40 FEAB CN(C)C1(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCOCC1 72310194 RBPVJSZNIJRQLA-GOSISDBHSA-N 363.477 2.017 0 40 FEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 9316571 HQTQSGBGQHIAGS-LJQANCHMSA-N 353.378 2.174 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSc1nncn1Cc1ccco1 14197922 HCXZQEAOMGYCPY-UHFFFAOYSA-N 354.391 2.308 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc3nccnc3c2)c(OC)c1 5419723 ZYFLDERUDLUBDS-UHFFFAOYSA-N 367.361 2.443 0 40 FEAB Cn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccco1 5864303 QYOMJQYDPNPYCU-UHFFFAOYSA-N 354.391 2.463 0 40 FEAB O=C(Cc1cccs1)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819758 LFJRNNJJVTTZDO-MRXNPFEDSA-N 374.462 2.209 0 40 FEAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc(CN2C(=O)CSC2=O)c1 70014765 STINEQGIKPJKKJ-CQSZACIVSA-N 373.478 2.096 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1cccs1)CC2 17064915 OEMYXTMZSCKQGF-UHFFFAOYSA-N 360.435 2.080 0 40 FEAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COc1ccc2c(c1)CCC2 8735546 KAVUANRZYYDEGA-LJQANCHMSA-N 369.417 2.160 0 40 FEAB CN1CCN2c3ccccc3C[C@]3(C(=O)N(C(C)(C)C)C(=O)N=C3O)[C@H]2C1 9087314 NSWSAHFNABCYGA-QRWLVFNGSA-N 370.453 2.067 0 40 FEAB O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCSCC1 71283582 PJQXKRUYCMUUDM-UHFFFAOYSA-N 374.915 2.459 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1ccc2ccccc2c1 84605802 ZQEBDVOXSROUAB-MOPGFXCFSA-N 372.490 2.221 0 40 FEAB CN(CC[C@H]1CCCCN1C)C(=O)NCc1ccnc(-n2cccn2)c1 73625696 VLFBMYJBSOQHLQ-QGZVFWFLSA-N 356.474 2.283 0 40 FEAB COc1c(Cl)cc(Cl)cc1CNC[C@H](Cc1cnn(C)c1)C(N)=O 95996699 IHUHMQLTOMGAIU-LBPRGKRZSA-N 371.268 2.169 0 40 FEAB CS(=O)(=O)CC1(CNc2cnc3cc(F)c(F)cc3n2)CCOCC1 89484236 BVHTWMLTQXPKHN-UHFFFAOYSA-N 371.409 2.161 0 40 FEAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C 24101933 MQXLPPLGIVMUKF-UHFFFAOYSA-N 351.428 2.478 0 40 FEAB O=C(COc1ccccc1F)NCCN1CCN(c2ccccc2)CC1 56327886 JFFSVXDTAZLTGL-UHFFFAOYSA-N 357.429 2.143 0 40 FEAB O=C(COc1ccc(F)cc1)NCCN1CCN(c2ccccc2)CC1 56997149 NEIXCBQCUMSSHQ-UHFFFAOYSA-N 357.429 2.143 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 39975673 HJLFUWASFISRHP-KDOFPFPSSA-N 357.429 2.363 0 40 FEAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCCC[C@H]4C)nc3c2c1C 72335223 UMUUDJCSMCSODO-SNVBAGLBSA-N 359.455 2.124 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br 73743153 NZBKPVHXANNCCI-LBPRGKRZSA-N 368.275 2.297 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2Cl)cn1CC(=O)N=c1[nH]cc[nH]1 79489954 ZPINOOOGCYJOKG-UHFFFAOYSA-N 372.812 2.173 0 40 FEAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(CC(=O)O)C3)nc(C)n2)n1 72363512 ZRQWXLUJQKDMKP-CQSZACIVSA-N 356.430 2.199 0 40 FEAB Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c1NC(=O)C2(C)C 71196011 DUGMPKVIWCITPM-RYUDHWBXSA-N 352.456 2.023 0 40 FEAB Cc1noc(C)c1Cn1c(=O)nc2n1C(=O)N(c1cccc(Cl)c1)C2 71282227 DJTQVCXFRZDBKD-UHFFFAOYSA-N 359.773 2.340 0 40 FEAB O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1cnccn1 77196277 KAJZMEQFIKFEBN-LBPRGKRZSA-N 369.450 2.426 0 40 FEAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 225806278 BSLWTOVMPRNIEW-LBPRGKRZSA-N 356.407 2.388 0 40 FEAB Cc1nc2ccccc2n1CC(=O)N1CCC(C)(N2CCOCC2)CC1 529915050 WMLWTSJDWCURFI-UHFFFAOYSA-N 356.470 2.058 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(C)c2C)c1 223971829 XKNVEMRNNMONGF-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cc1 48064849 OIYICAGVMGPZGG-RZIFZGNASA-N 361.442 2.105 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222012961 CZIQQKVBXUCIGS-BZLDKRAPSA-N 372.465 2.397 0 40 FEAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccs1)N1CCCC1 96057951 DZABLAHRCKYSNG-LZLYRXPVSA-N 350.484 2.119 0 40 FEAB Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2C1CCSCC1 96117393 JKVHXQIUBWJJAX-ZDUSSCGKSA-N 365.484 2.165 0 40 FEAB Cc1nc(CN2Cc3cncn3[C@H](C(=O)NCc3ccco3)C2)cs1 247969619 RVMKQDDBJMZHRB-INIZCTEOSA-N 357.439 2.114 0 40 FEAB CN1C[C@H](COCC2CC2)C2(CCN(c3cc(N(C)C)ncn3)CC2)C1 248084105 DCPPSZOKGHTUPJ-QGZVFWFLSA-N 359.518 2.117 0 40 FEAB O=C(c1cc(-n2cccn2)ccn1)N1CCN(CCc2ccccc2)CC1 85472883 NHNHETIXYLEFIH-UHFFFAOYSA-N 361.449 2.268 0 40 FEAB Cc1ncc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c(C)n1 257221070 DNJLFEVPBINYJK-WMZOPIPTSA-N 359.401 2.277 0 40 FEAB O=C(O)c1ccccc1-n1cc(CN2CC[C@@H](Cc3ncccn3)C2)cn1 257200028 ABRWSOJCFJGJBC-HNNXBMFYSA-N 363.421 2.425 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2cc3ccccc3c(O)n2)C1 644121998 NPENIFCGLIIDDB-ZBFHGGJFSA-N 352.394 2.195 0 40 FEAB CN1CCN(C(=O)Nc2cc3c(cn2)CCC3)C[C@H]1c1nc(C2CC2)no1 653433687 GUTSSUOEOYKYNQ-HNNXBMFYSA-N 368.441 2.351 0 40 FEAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)o1 678613951 JCDKFRXSQAWYIJ-QGZVFWFLSA-N 374.462 2.326 0 40 FEAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 96025541 OTQPYRXEOWEVQJ-CYBMUJFWSA-N 371.505 2.375 0 40 FEAB CCc1nncn1CCNC(=O)N1CCC(c2ccccc2C(=O)O)CC1 666531784 DNJWBTXHPVXVKN-UHFFFAOYSA-N 371.441 2.128 0 40 FEAB Cc1cc(C)nc(N2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)n1 585104731 SIJKIAFVTYEVHR-HXUWFJFHSA-N 370.428 2.492 0 40 FEAB CCCNC(=O)C1=NO[C@@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101066 AUYZTTWCGZFPKN-HNNXBMFYSA-N 373.379 2.066 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@@]12CCCN(C[C@H]1CCCO1)CC2 585099936 AMFOTJBMCWZBGT-CRAIPNDOSA-N 364.515 2.486 0 40 FEAB CNc1cnc(C(=O)N2CC[C@H](OC)[C@H](Cc3ccccc3F)C2)nc1 585275600 DXWSZDPQCWKBJC-PBHICJAKSA-N 358.417 2.377 0 40 FEAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ccnc(F)c3)ccc21 585106380 RFWBPYQMWMGIOD-UHFFFAOYSA-N 355.369 2.498 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5492860 DRHLKMXFKVWRJZ-UHFFFAOYSA-N 362.459 2.112 0 40 FEAB COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(C3CCCCC3)c2n1 12114171 VZHPWUXVUGIKQW-UHFFFAOYSA-N 367.409 2.399 0 40 FEAB CSc1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cn1 12122230 DHOSWURYKKBDEQ-UHFFFAOYSA-N 366.450 2.314 0 40 FEAB Cc1ccccc1CN1CCc2c(nc(N3C[C@H](C)O[C@H](C)C3)[nH]c2=O)C1 19237262 WGMZKGOSPYSRLP-IYBDPMFKSA-N 368.481 2.250 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19566894 OEGUTSNHRUHVEU-OAHLLOKOSA-N 368.437 2.117 0 40 FEAB COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19568704 BBDJBDSPJQQPEO-CQSZACIVSA-N 352.438 2.151 0 40 FEAB Cc1onc(C(=O)NCc2nnc(-c3ccccc3)o2)c1Cn1cccn1 19657717 BCKVRITVCDFIBT-UHFFFAOYSA-N 364.365 2.208 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1ncc(Br)cn1 661233924 CIKYBGOFMGVONO-UWVGGRQHSA-N 357.252 2.414 0 40 FEAB COc1ccc(OC)c(/C=C/C(=O)N2C(=O)c3cccc(N)c3C2=O)c1 3302642 GUGKKMOSTQLXQV-RMKNXTFCSA-N 352.346 2.122 0 40 FEAB O=C1[C@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@@H]2C(=O)N1c1ccccc1 1888867076 LKBAXHMOMPFMQP-RYUDHWBXSA-N 362.311 2.121 0 40 FEAB CCN=c1nc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)cc(C)[nH]1 1889128315 MRAFPBUKATWLSL-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223543 QZNPYXKWUFCFIV-HXUWFJFHSA-N 367.453 2.403 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(OC)cc2)cc1 9571408 XOSPQTCUBXELSF-UHFFFAOYSA-N 368.397 2.391 0 40 FEAB O=C(Cc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)NC1CC1 13849849 CYUNFBOROQMZQD-UHFFFAOYSA-N 358.463 2.492 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 2055839547 JGIKLCQPHDRGHN-LPHOPBHVSA-N 354.410 2.023 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)n1cccn1 575614433 SNYAFPAKZHBXSV-ZDUSSCGKSA-N 352.441 2.117 0 40 FEAB Cc1cccc(NC(=O)CN2CCC(C(=O)N3CCSCC3)CC2)c1 2298111207 QPWYHLQHUSTMML-UHFFFAOYSA-N 361.511 2.221 0 40 FEAB Cc1n[nH]c2ncc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc12 40118667 ZLTIAPNTOMJRCO-UHFFFAOYSA-N 365.437 2.029 0 40 FEAB CN(Cc1csc(-c2ncccn2)n1)Cc1nc2ccccc2c(=O)[nH]1 40153433 RNQAOCHXFDIFKA-UHFFFAOYSA-N 364.434 2.469 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)NCc2nc(-c3cccnc3)no2)cc1 31651996 JSNNLGXGIMSYDB-RMKNXTFCSA-N 364.361 2.248 0 40 FEAB C[C@@H](C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccsc2)CC1 54363629 WURJSWJBFXSSEL-LBPRGKRZSA-N 364.496 2.380 0 40 FEAB C[C@H](O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 54363448 DAVSGNBRAYFWCI-YFKPBYRVSA-N 363.060 2.415 0 40 FEAB Cc1[nH]c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc1Cc1ccccc1 8776987 XDVKEIQUKWINOO-HNNXBMFYSA-N 372.494 2.125 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCn1cnc2ccccc21 12489734 YNDSLBXXBMTHJL-UHFFFAOYSA-N 361.405 2.022 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1 796711 GWWWPBOXGGRIGX-ZDUSSCGKSA-N 354.472 2.011 0 40 FEAB CC(=O)OCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 12577408 NOGAWELXNGZLCE-KHSMEXAKSA-N 361.397 2.442 0 40 FEAB Nc1nc(N)c(N=O)c(Nc2ccc(I)cc2)n1 4707495 CRJCMDFURROWOI-UHFFFAOYSA-N 356.127 2.387 0 40 FEAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6224013 XCGFZYMWNVJPSY-GFCCVEGCSA-N 374.890 2.418 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)n1 6593876 JQAIGVOFRFQKLZ-UHFFFAOYSA-N 370.438 2.372 0 40 FEAB C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCO2 7268823 IQWBETPMZXAOKQ-GFCCVEGCSA-N 351.362 2.003 0 40 FEAB COc1ccc(CN(C)[C@@H](C(=O)NC(N)=O)c2ccccc2)cc1OC 24810439 BDJPVBGWYLNAMO-QGZVFWFLSA-N 357.410 2.072 0 40 FEAB CCOc1ccc(C2(CNC(=O)c3cc[n+]([O-])cc3)CCOCC2)cc1 55762881 BBAWNXLYYJHAMQ-UHFFFAOYSA-N 356.422 2.197 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(-c2cnco2)c1 48205032 UVYMZJWEJQECAZ-UHFFFAOYSA-N 361.361 2.475 0 40 FEAB CCn1c(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc2ccccc21 58133197 HFMYPYCLNBIOER-UHFFFAOYSA-N 364.405 2.129 0 40 FEAB CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 95452584 BGXCUNPRHKUASJ-LLVKDONJSA-N 366.480 2.396 0 40 FEAB COc1ccc(/C=C/C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1O 2129370 SMJCKIKJLQVRQB-DODUIYEKSA-N 366.417 2.222 0 40 FEAB biogenic O=C(COC1CCCC1)Nc1ccc2[nH]c(CN3CCOCC3)nc2c1 58370636 BUPGVNVNJXYDPQ-UHFFFAOYSA-N 358.442 2.293 0 40 FEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 3351610 XPEIMWFQESQJEV-IAGOWNOFSA-N 359.857 2.371 0 40 FEAB Cc1ccccc1Cn1nc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102015721 KHIWWEHDGIJZCS-UOVPBQLFSA-N 351.406 2.215 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 45104075 BHOSONQNGKJEEN-CQSZACIVSA-N 372.435 2.432 0 40 FEAB Cc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)nc1 100149336 QFMOVGBZXMDPEC-QZTJIDSGSA-N 367.497 2.366 0 40 FEAB Cc1ccc(-c2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 12813304 UBOJUTOAURHTHS-CQSZACIVSA-N 366.512 2.003 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(-n2cncn2)nc1 46714226 ILWYRZGTUGEVIM-UHFFFAOYSA-N 374.404 2.485 0 40 FEAB COC(=O)c1ccc([C@H](O)OC)c(NC(=O)COc2ccc(F)cc2)c1 2785332 QMUXDSAXSYBNOX-GOSISDBHSA-N 363.341 2.267 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 28976805 NJUUIOGECZUZIO-MAUKXSAKSA-N 361.461 2.278 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 12915295 RWVZUUGTXFEESH-AWEZNQCLSA-N 360.435 2.127 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 13000158 HHOUEUMXPRXSEM-UHFFFAOYSA-N 365.389 2.061 0 40 FEAB O=C(O)c1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c1 13093815 SHVZTXSYYVGTCA-VIFPVBQESA-N 355.309 2.487 0 40 FEAB COC(=O)c1cccc2c1CCN(CC(=O)Nc1ccc3c(c1)OCO3)C2 39304200 KVOARIAQHIHRSW-UHFFFAOYSA-N 368.389 2.199 0 40 FEAB COc1ccc(N2C(=O)C(=O)N(CCOc3cccc(C)c3)C2=O)cc1 6114691 QHWJIVRNHGYBED-UHFFFAOYSA-N 354.362 2.378 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2O1 39975694 JISBENJCCMVINM-SFHVURJKSA-N 363.373 2.453 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccc(F)cc1 14015352 FVIKXJFMWLAOET-CXAGYDPISA-N 369.396 2.166 0 40 FEAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cc2c(cc1Cl)OCCO2 65516687 ZNAQZRPAJIHQJR-JTQLQIEISA-N 353.806 2.244 0 40 FEAB Cc1cc(C)cc(-n2nnnc2S[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 14184183 MYKNGAQOOMHTRS-HIFRSBDPSA-N 361.471 2.055 0 40 FEAB O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COCCO1 66841830 BQVZJCANTWDPHD-INIZCTEOSA-N 373.280 2.489 0 40 FEAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccco3)c2C(N)=O)C1 5856292 LHSSCDTUIVTURD-VIFPVBQESA-N 362.407 2.360 0 40 FEAB Cc1cccc(NC(=O)CNC(=O)Cc2ccc3c(c2)OCCO3)c1C 7062321 OUDMXRDDFGWNBX-UHFFFAOYSA-N 354.406 2.372 0 40 FEAB Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC1 15669375 YOLSLMSYANZEKT-UHFFFAOYSA-N 373.478 2.409 0 40 FEAB Cc1cccc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)c1C 15831861 UQPIVWOUTSGFAI-QGZVFWFLSA-N 358.438 2.465 0 40 FEAB COC(=O)CNC(=O)CSc1nnc(Nc2cccc(Cl)c2)s1 7578481 VQZSYFCNCSNSJO-UHFFFAOYSA-N 372.859 2.316 0 40 FEAB CC(C)(C)CCN1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 68111899 JPESFKVPEZHKNK-UHFFFAOYSA-N 372.473 2.040 0 40 FEAB C[C@]12CC[C@H]3[C@@]4(CC[C@@]5(O)C[C@H](O)CC[C@]35CO4)[C@@H]1CC[C@@H]2C(=O)O 119229755 MAUIYISYPHUCFP-WDALQOGOSA-N 350.455 2.339 0 40 FEAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N[C@H]1CCCC[C@H]1CO 81476702 VXQFFBNUDFCNMF-STQMWFEESA-N 361.364 2.373 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccccc1Cl 8185791 VKBDEZUEHKLCOE-ZDUSSCGKSA-N 374.824 2.368 0 40 FEAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccc2c(c1)OCCCO2 8394058 IUSHDMMRJHTMQP-UHFFFAOYSA-N 353.378 2.329 0 40 FEAB CCOC(=O)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)[C@@H](C)CC 72303243 FXYZFPFONABXPJ-IFXJQAMLSA-N 360.454 2.450 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)Nc1ccc2c(c1)CCC2 95367666 XVOBJZACFCDDAN-KRWDZBQOSA-N 366.417 2.412 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 21348522 OPOSOGYTDXOUTM-BNOWGMLFSA-N 366.483 2.413 0 40 FEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccc(Br)o1 170192445 RNKOVYNAJBPQGL-JTQLQIEISA-N 368.183 2.277 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1 20245924 JWEZNOMNUCAOGV-UHFFFAOYSA-N 359.451 2.132 0 40 FEAB COc1ccc([C@@](O)(CCN2CCOCC2)c2ccc3c(c2)OCO3)cc1 31623914 ARBLWOAVYXCWCG-NRFANRHFSA-N 371.433 2.382 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sn1 70638119 DHXPUGVYRZYYMI-CYBMUJFWSA-N 369.454 2.282 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)C2(CO)CO)cc1 218455712 LYOPLRMOXKFYNR-IRXDYDNUSA-N 350.411 2.045 0 40 FEAB Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1NS(C)(=O)=O 43522825 ONTXSASHBVWPCO-UHFFFAOYSA-N 350.415 2.478 0 40 FEAB COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1 44886537 LIPUWSNQAIQSFG-UHFFFAOYSA-N 354.472 2.252 0 40 FEAB COCCCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398291 ADHRQNQQRCICKH-UHFFFAOYSA-N 353.357 2.282 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101263 ZUFKALMZFZIPFW-UHFFFAOYSA-N 370.359 2.211 0 40 FEAB Cc1ccc(N2CCC[C@@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96229302 LSMAXNKACQWEBO-FQEVSTJZSA-N 353.470 2.299 0 40 FEAB COc1cc(=O)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 96184143 KBVXQFUHRUOPFH-GJZGRUSLSA-N 355.438 2.423 0 40 FEAB CC[C@H](C)N1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000185 USHBZQVLTMWZMG-VBNZEHGJSA-N 370.902 2.261 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247324329 MZIFGFPSFIFFBA-HNNXBMFYSA-N 362.476 2.409 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 245333850 BHNLYGBJMNKDTM-XAZHRRCGSA-N 353.418 2.442 0 40 FEAB CS(=O)(=O)N1C[C@@H]2CN(Cc3ccco3)CC[C@@]2(c2ccccc2)C1 247521273 LQAHJYLESBGUBN-HKUYNNGSSA-N 360.479 2.315 0 40 FEAB Cc1noc(C)c1CSCC(=O)N1CCC[C@H](c2nnc(O)o2)C1 619868310 PIYMZPLWZVALDV-NSHDSACASA-N 352.416 2.019 0 40 FEAB CC(C)[C@H]1CCCCCN1C(=O)Cn1cnc2c1CCNC21CCOCC1 1615553585 XEDMRZZABNLCLS-QGZVFWFLSA-N 374.529 2.462 0 40 FEAB NC(=O)c1ccc(NC(=O)N[C@H](CO)c2ccc(F)cc2F)cc1F 1666852570 PWGBUUBWUGGYDP-CQSZACIVSA-N 353.300 2.058 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](Cc1ccncc1)C(=O)O 655598401 CWACIXZTRZHBKF-LBPRGKRZSA-N 353.300 2.230 0 40 FEAB CN(C[C@@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1)S(C)(=O)=O 296188918 MAVSQWLUESYZDJ-HNNXBMFYSA-N 364.511 2.309 0 40 FEAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1=CCCC1 585097737 NOEDPDNOVJERBK-CQSZACIVSA-N 353.426 2.136 0 40 FEAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cnc2ccccc2c1 585279093 STWWLSNCIFLATJ-ROUUACIJSA-N 355.438 2.381 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)s1 103444207 SEWUBUOBVLHPDM-KKUMJFAQSA-N 368.524 2.326 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2C)C1 1615086131 YIMPPMGUNTXXGM-NRFANRHFSA-N 370.449 2.235 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@H](Cn3nnc4c(O)nc(C)nc43)C2)c1 12084994 MBNJARAFYLWKLS-AWEZNQCLSA-N 366.425 2.096 0 40 FEAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)c(F)c1 15041567 PFZIOBXRZQDCIG-CYBMUJFWSA-N 374.416 2.474 0 40 FEAB Cc1ccn(CCC(=O)N2CCO[C@H](c3nc(-c4cccs4)no3)C2)n1 19238088 UTWZBSGQPRHDDW-ZDUSSCGKSA-N 373.438 2.293 0 40 FEAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 19497974 ZZNPZZLZZYARCZ-SCLBCKFNSA-N 364.449 2.423 0 40 FEAB CCc1ncc(CN2CCc3nc4sc(C)cc4c(=O)n3CC2)cn1 19523454 WXWWDTHOKFERNJ-UHFFFAOYSA-N 355.467 2.177 0 40 FEAB CCN(C(C)=O)[C@H]1CN(C(=O)Cn2nc(C)nc2C)C2(CCCCC2)C1 19703909 QNIUPTRGBYKVSR-QGZVFWFLSA-N 361.490 2.067 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 552394239 ISBLEHACTXLJLB-JTQLQIEISA-N 355.437 2.331 0 40 FEAB COc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1OC 21056587 IJIVVNMPXTYXQC-ZIAGYGMSSA-N 350.459 2.321 0 40 FEAB COCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)O 21986882 SFPCSXJSBBGEGA-UHFFFAOYSA-N 357.432 2.045 0 40 FEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 4926362 HDRNEWAKPGSNKJ-UHFFFAOYSA-N 353.374 2.200 0 40 FEAB CCc1cnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nc1 1888859537 MCULKLFBNLNZGN-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB CCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cn1 1565555430 AEBCGIKMUYOZSK-WIYYLYMNSA-N 374.481 2.176 0 40 FEAB CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21 4035803 SEDLXLQNUWUZNN-UHFFFAOYSA-N 373.844 2.318 0 40 FEAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccc2c(c1)OCO2 4317000 CYRSTQQJWJNGPN-UHFFFAOYSA-N 359.407 2.108 0 40 FEAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1C(=O)c2ccccc2S1(=O)=O 4940766 BRLIJQZJEZMRQX-SECBINFHSA-N 366.345 2.137 0 40 FEAB Cn1/c(=N\C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2ccccc21 12237973 HVNNVRFYGIHPSC-FBMGVBCBSA-N 364.423 2.280 0 40 FEAB COC(=O)c1ccc(CSc2nnc(-c3cn(C)nc3OC)n2C)cc1 12422597 DISROKWOLJJLOX-UHFFFAOYSA-N 373.438 2.303 0 40 FEAB COc1ccc(-c2csc(NC(=O)CSc3n[nH]c(N)n3)n2)cc1 15082957 VWBMEFHNZXHLTH-UHFFFAOYSA-N 362.440 2.250 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)cn1 2055715719 DKGDJJLZADKMPB-CGTJXYLNSA-N 366.421 2.043 0 40 FEAB CN1C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)CC1=O 19587357 RZHQSMRAILJILG-QEEHTWDDSA-N 373.472 2.131 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CCCCC2)cc1 16310091 HEZNHSFBXKSWQQ-MRXNPFEDSA-N 364.467 2.124 0 40 FEAB COc1cc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)cc(OC)c1OC 32646536 CEMBLUMTMHUERF-FQEVSTJZSA-N 371.389 2.434 0 40 FEAB C[C@@H]1CCCN(C(=O)C2CCN([C@H](C)C(=O)Nc3nccs3)CC2)C1 52702784 SFOIVUKTEASEAC-ZIAGYGMSSA-N 364.515 2.441 0 40 FEAB COc1ccc(CCC(=O)NCCNC(=O)c2ccc(O)cc2)cc1F 53742145 NAUBEODOIBZXHF-UHFFFAOYSA-N 360.385 2.019 0 40 FEAB O=C(NCCn1cnc2ccccc2c1=O)c1ccc(Br)o1 61719958 MPFNSFSFZAIVLW-UHFFFAOYSA-N 362.183 2.182 0 40 FEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(Cl)c2)n1 2809279 UXDJWMJAFYTNPD-SDSIWUNFSA-N 357.797 2.252 0 40 FEAB CS(=O)(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 24508455 NTAXVNNCTMDGPC-UHFFFAOYSA-N 370.478 2.079 0 40 FEAB O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 7070772 VAKUFWQJGUFQDN-KRWDZBQOSA-N 362.426 2.295 0 40 FEAB CCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010066 JJOXPXKLOMKOFK-UHFFFAOYSA-N 356.513 2.480 0 40 FEAB C=Cn1nnc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1 10119676 MGTHIWGUTGBHEU-UHFFFAOYSA-N 352.192 2.332 0 40 FEAB C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1F 25446439 HECWZFWBCUXJTQ-GFCCVEGCSA-N 355.369 2.369 0 40 FEAB CNC(=O)c1cc(NC(=O)c2cccnc2OCCOC)ccc1Cl 56094185 FTQONIYFMFXNCF-UHFFFAOYSA-N 363.801 2.372 0 40 FEAB Cc1ccc(OC[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 58377650 PKQKTPNDNUVMAN-HUUCEWRRSA-N 359.426 2.359 0 40 FEAB C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57482933 PGYHDKRAKXXXAW-VIFPVBQESA-N 368.352 2.134 0 40 FEAB CN(C(=O)CNc1ccc(SC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 57861367 PGWWSOMEYDNKME-NSHDSACASA-N 364.439 2.059 0 40 FEAB O=C(NCCC(=O)N1CCC(n2ccnc2)CC1)c1ccc(F)cc1F 58166867 RPEIMCFHHXVTHN-UHFFFAOYSA-N 362.380 2.145 0 40 FEAB CS(=O)(=O)c1ccc(-n2nnnc2COc2cccc(Cl)c2)cc1 58167982 YWOVPBDBTHSSFG-UHFFFAOYSA-N 364.814 2.298 0 40 FEAB COc1cc(C)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 23683228 WWPMTFTUFPTOOO-PXAZEXFGSA-N 350.440 2.405 0 40 FEAB O=C(Cc1csc(-c2cccs2)n1)NCCc1nnc2n1CCC2 58393030 XQLVBBVUBNPJLH-UHFFFAOYSA-N 359.480 2.311 0 40 FEAB COCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 22688480 LCQBCXCQZBCKMO-UHFFFAOYSA-N 366.414 2.393 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 21668932 ZELKRAWEYRKJFG-GXFFZTMASA-N 364.389 2.307 0 40 FEAB CC(=O)c1c(SCC(=O)Nc2ccc(F)c(F)c2)nc(=O)[nH]c1C 10913829 JDQXYPNUCSIZHX-UHFFFAOYSA-N 353.350 2.290 0 40 FEAB COC(=O)c1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)n1 58877835 AZKDPSMZDNWHEP-UHFFFAOYSA-N 355.394 2.082 0 40 FEAB O=C(C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c[nH]c2ccccc12 100833846 BDYVZZSVZPMXQS-KBPBESRZSA-N 361.401 2.158 0 40 FEAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N 2396988 XYNZQMIFWFNNBN-UHFFFAOYSA-N 359.411 2.381 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cn1 28644273 VVBYBAITTDUGKE-KRWDZBQOSA-N 352.394 2.257 0 40 FEAB CCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc2c(c1)OCO2 11351510 OWADNZJJCQEORQ-UHFFFAOYSA-N 367.405 2.223 0 40 FEAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCC(N)=O)n2C2CC2)c1 12809725 ZGFZSJNJGIQAFR-UHFFFAOYSA-N 373.482 2.379 0 40 FEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc4c(c3)CCC4)cnc21 29682451 OBXPCXRXLVOGNU-UHFFFAOYSA-N 364.405 2.236 0 40 FEAB Cc1ccc(C(=O)NCC(=O)NCCCN2CCc3ccccc3C2)cc1 29840096 GXKLTGANFSMTRH-UHFFFAOYSA-N 365.477 2.289 0 40 FEAB Cc1cccc(C(=O)NCC(=O)NCCCN2CCc3ccccc3C2)c1 29840049 KOBBXXWQDDXLFB-UHFFFAOYSA-N 365.477 2.289 0 40 FEAB COc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1Cl 2628176 OSKFELFHRCPUAI-UHFFFAOYSA-N 354.819 2.299 0 40 FEAB COC(=O)c1cc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)oc1C 9114454 XDHPFDQHMNRIDN-HSBSLETESA-N 357.362 2.344 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306124410 BPEYMVBNGMGNCZ-GJZGRUSLSA-N 369.444 2.004 0 40 FEAB CC(C)(C)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832373 PKDGXHGHQHBLGX-ZDUSSCGKSA-N 360.863 2.172 0 40 FEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3F)C2=O)cc1 14092747 CQOBFDNDSQTCHI-IBGZPJMESA-N 356.353 2.484 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 14185568 LVGYIKSQFHQKOA-UHFFFAOYSA-N 370.377 2.142 0 40 FEAB FC(F)(F)c1nnc2ccc(NC[C@@H]3COc4ccccc4O3)nn12 14713044 IFBJKCOZZAYUJJ-SECBINFHSA-N 351.288 2.395 0 40 FEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 9418584 VSFWEUVPUWXQAR-INIZCTEOSA-N 371.824 2.180 0 40 FEAB NS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(SC(F)F)c1 95460937 MMXNDWMJZHELTP-JTQLQIEISA-N 365.427 2.286 0 40 FEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCn2cccc2[C@H]1C 7007678 FCZBMLBWQKKRLV-GFCCVEGCSA-N 363.439 2.221 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1 8075644 HRTHPMWUIPAASE-GQCTYLIASA-N 354.362 2.006 0 40 FEAB CCC[C@H]1NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 8768284 LNMJUJIHHTZGEB-QOLSXCEWSA-N 361.486 2.428 0 40 FEAB CN(Cc1ccccc1)C[C@@H](CC(=O)Nc1cccc2nonc12)C(=O)O 72405494 OFIASZUVVWPZKO-CQSZACIVSA-N 368.393 2.384 0 40 FEAB Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)C2)c2ccc(F)cc2n1 1549998893 YDSYMXKHDWYCBD-INIZCTEOSA-N 356.445 2.144 0 40 FEAB Cc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1 20662165 STZDQJMYKXPUGQ-UHFFFAOYSA-N 352.442 2.258 0 40 FEAB CN(C)c1cnc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 502103920 DCDLFAZBRPQSCG-QGZVFWFLSA-N 353.470 2.279 0 40 FEAB O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1 408554403 RVYSWEPZXCSBSM-UHFFFAOYSA-N 365.311 2.399 0 40 FEAB CCCN1CCN(S(=O)(=O)c2cccc(C(=O)CC)c2)C(C)(C)C1=O 188827696 BJWRJRIGNXKTGZ-UHFFFAOYSA-N 366.483 2.301 0 40 FEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(OC)c(F)c2)c1 30332230 FACUXTADVMWXHL-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)no3)n2)cc1 38670932 BRHYLIIHCKGNOR-GFCCVEGCSA-N 354.366 2.415 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)sc1C 32983754 AIVZPLFHHSJWFH-FVMDXXJSSA-N 350.444 2.199 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482911 HAGFBHAXZCUWHT-UHFFFAOYSA-N 371.784 2.428 0 40 FEAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 225720414 FTIRHVVQXLBPFB-UHFFFAOYSA-N 365.408 2.489 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1CCN1CCOCC1 223125119 BRYSDDHTHPJCEF-SJORKVTESA-N 374.535 2.448 0 40 FEAB Cc1cc(C)c(NC(=O)NCC2(N3CCOCC3)CCOCC2)c(C)n1 576003662 VGXTYFJOAOMUNM-UHFFFAOYSA-N 362.474 2.010 0 40 FEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)c(Cl)c2)cc1 224247251 JFSWWFAZEWFYDG-UHFFFAOYSA-N 354.815 2.273 0 40 FEAB COC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)N1S(C)(=O)=O 96218614 YTYFSXISCABKMR-KRWDZBQOSA-N 352.500 2.092 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(C)cc4)C[C@@H]32)N=C1C 96261498 UHNMTYMRBIROMZ-SVFBPWRDSA-N 355.482 2.483 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCCC3)C3(CCOCC3)C2)cc1 96240870 OFDBHGGKAWRXGJ-SFHVURJKSA-N 356.466 2.486 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)N4CCC(O)CC4)[C@H]31)O2 248337832 QIZZSSZJWRBTRM-MMCAFHBRSA-N 355.434 2.338 0 40 FEAB O=C(Cc1ccccc1F)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247873999 SDHYQZXHCHUYCV-OAHLLOKOSA-N 370.428 2.278 0 40 FEAB CC(=O)N1[C@@H]2CN(S(=O)(=O)c3cccnc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257313258 UROMDHFCPXUEPN-XOYOTBSWSA-N 363.483 2.024 0 40 FEAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)c2cn(C)cn2)n1 257299380 RPUWZFDIUZVCPZ-MRXNPFEDSA-N 352.398 2.459 0 40 FEAB COC(=O)c1ccnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 603438764 PHPCBZLATUSUQA-UHFFFAOYSA-N 359.813 2.484 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)Cc1cccnc1)CC2 630160323 AEJLPHIMJIXEEA-INIZCTEOSA-N 370.405 2.242 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)n1cccn1 575613399 GWXJJESRNLNHMJ-INIZCTEOSA-N 356.426 2.188 0 40 FEAB CC(C)NC(=O)CN1C(=O)CC[C@]12CCCN(Cc1nccs1)CC2 585100689 SWIMKMUQJNTYJU-SFHVURJKSA-N 364.515 2.015 0 40 FEAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]1O 585280245 KQFMBWSZHMCLSA-AQNXPRMDSA-N 358.482 2.086 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)n2)[C@H]1Cc1ccccc1 585275792 FMNIMOSLEZCNGS-WMZOPIPTSA-N 353.422 2.139 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@](O)(COc3cccc(C)c3)C2)c1C 585275804 JSRFHDCLQVTOQW-HXUWFJFHSA-N 357.454 2.255 0 40 FEAB CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2nonc2C)C1 585275874 GBSWRYMTESUZNV-IBGZPJMESA-N 359.426 2.316 0 40 FEAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 670438204 ZIEONDMLGNPJCN-AWEZNQCLSA-N 353.382 2.289 0 40 FEAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC1(C(=O)O)CCCCC1 72277017 JUEHFVXGQWNGEW-UHFFFAOYSA-N 352.818 2.364 0 40 FEAB Nc1n[nH]c2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)ccc12 72374105 IHHNRTLQIJMDBB-UHFFFAOYSA-N 369.400 2.464 0 40 FEAB CCOC(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2O)C1=O 5874677 GWWKEFLEGMZGCF-WQLSENKSSA-N 351.380 2.390 0 40 FEAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 13226273 NIXAEBPAJZWYHA-AWEZNQCLSA-N 358.398 2.031 0 40 FEAB O=C(c1ccncc1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268184 HGGZGFQQJKAWMT-CQSZACIVSA-N 362.393 2.054 0 40 FEAB CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582706 MKOYGEUXCRRJBM-LLVKDONJSA-N 358.460 2.018 0 40 FEAB Cc1cccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)n1 19236313 GWQONCQDUZHQCI-CQSZACIVSA-N 353.470 2.268 0 40 FEAB O=c1cc(CCn2ncc3c2CCCC3)nc(NCc2cccnc2)[nH]1 19339730 PCAYENKSSMNXAS-UHFFFAOYSA-N 350.426 2.095 0 40 FEAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1 19373632 HJTIQCDFSZCKNM-ZDUSSCGKSA-N 371.422 2.095 0 40 FEAB O=C1CCCN1CCCc1cc(=O)[nH]c(N[C@H]2CCOc3ccccc32)n1 19374931 BTDFXSRXZAJARH-INIZCTEOSA-N 368.437 2.261 0 40 FEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cn(C)c(=O)c2ccccc12 19716567 CLQAXEOGUVJWDF-GFCCVEGCSA-N 352.438 2.250 0 40 FEAB Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)nc(N2CCCCC2)n1 19718874 NQJGVSRIIMQAMW-UHFFFAOYSA-N 356.474 2.098 0 40 FEAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cn1 19719101 OGHVFVGPHVTICD-GOSISDBHSA-N 355.438 2.202 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C(C)(C)C)nc(O)c2C1 19018041 DXLHCODQKKQBDG-HNNXBMFYSA-N 360.458 2.187 0 40 FEAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1614929146 VFKDLZUAZQPNDO-GOSISDBHSA-N 365.449 2.377 0 40 FEAB CNC(=O)c1ccsc1NC(=O)c1cc(OC)c(OC)c(OC)c1 4281747 INQSSCZDZGZNIT-UHFFFAOYSA-N 350.396 2.386 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)NCCCN3CCCCC3)CC2=O)cc1 4373161 VJXWZQNCVSZGEQ-KRWDZBQOSA-N 358.486 2.276 0 40 FEAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)Nc1nccs1 4376994 BNTWJHUAOBRIDM-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB CCn1cc(CN2CCC(Nc3cccc(OC)c3)(C(=O)NC)CC2)cn1 2055750837 CZUIUPHMUHKKFL-UHFFFAOYSA-N 371.485 2.104 0 40 FEAB O=C(NCCn1ccnc1-c1cnccn1)NCc1ccc(Cl)cc1 575610138 SYQNCSYWUWUYQF-UHFFFAOYSA-N 356.817 2.493 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)NCc1nc(C2CCOCC2)no1 575619003 YWDQSCVZFIZSEW-UHFFFAOYSA-N 355.398 2.089 0 40 FEAB Cc1ccc(C)c(N2C(=O)C[C@@H](SC(=S)N3CCOCC3)C2=O)c1 113563012 RCQUUFLVKZPYDG-CQSZACIVSA-N 364.492 2.286 0 40 FEAB C[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1cc2ccccc2o1 40049875 VOXZDHOWKLRGKA-HNNXBMFYSA-N 365.437 2.222 0 40 FEAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCS(=O)(=O)C1 40033616 VMEGPSBZFXBKRR-ZDUSSCGKSA-N 368.842 2.231 0 40 FEAB CCOC(=O)N[C@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)CC(C)C 32584728 FCZMHSXHCRDPEX-XDUBLRSXSA-N 359.426 2.048 0 40 FEAB O=C(c1ccc(F)cc1Cl)N1CCN(c2ncnc3[nH]cnc23)CC1 52088503 OGDWNSPRUZZEAK-UHFFFAOYSA-N 360.780 2.108 0 40 FEAB C[C@@]1(C(=O)O)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102347286 HBFIQUGMXPVEPU-GOSISDBHSA-N 352.325 2.294 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCc3ccccc3)CC2)c1C 53666672 ZFYHYZVHLRJNFC-UHFFFAOYSA-N 369.465 2.419 0 40 FEAB Cc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 53676942 APAPEWAIAMTJKW-UHFFFAOYSA-N 374.462 2.131 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc21 22644043 JEPQCSRQQLTZGF-UHFFFAOYSA-N 351.362 2.179 0 40 FEAB COC(=O)C(C)(C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 23152139 APHGNPBXVRVCCI-UHFFFAOYSA-N 368.437 2.500 0 40 FEAB O=C(Nc1ccccn1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71285228 DNQWSHVYJPVIHU-UHFFFAOYSA-N 363.333 2.074 0 40 FEAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(c2ccccc2F)C1 23228438 LQGQNGJWLMMOGB-CQSZACIVSA-N 370.380 2.266 0 40 FEAB O=C(Cc1ccc(F)c(F)c1)NS(=O)(=O)N1CCCc2ccccc21 79075410 LWJXQYUGQOOJKF-UHFFFAOYSA-N 366.389 2.321 0 40 FEAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccco1 4932764 LXHBPBPVOHNRKB-UHFFFAOYSA-N 351.288 2.268 0 40 FEAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7681371 JNEIORVHWJIUSI-GFCCVEGCSA-N 355.346 2.211 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 25043222 BIEHTZLETFDEGN-UHFFFAOYSA-N 359.455 2.125 0 40 FEAB CCn1c(CCc2ccccc2)nnc1SCC(=O)NCCCOC 8090095 YXKUZCJSKCTZEE-UHFFFAOYSA-N 362.499 2.328 0 40 FEAB C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 57396092 JBLRYRZJJGQUNF-OAHLLOKOSA-N 365.437 2.222 0 40 FEAB CN1C(=O)COc2ccc(S(=O)(=O)NCC3(c4ccccc4)CC3)cc21 8783060 HZJGYRQAPTYRHE-UHFFFAOYSA-N 372.446 2.052 0 40 FEAB CCNC(=O)CNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 59269118 VPXCYKVUZHBWRN-UHFFFAOYSA-N 371.393 2.252 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2cc(C)nc3nncn23)c1 35670655 HTIJWONYUDAIJF-UHFFFAOYSA-N 359.411 2.181 0 40 FEAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102087942 QJQAVIAFPDSGTC-AUTURXRWSA-N 350.418 2.377 0 40 FEAB COC(=O)C(C)(C)C(C)(C)NC(=O)Nc1cccc(N2CCNC2=O)c1 76092055 PXZROIBJCIPZER-UHFFFAOYSA-N 362.430 2.316 0 40 FEAB CN(Cc1ccco1)C(=O)NCc1cccc(OCCN2CCOCC2)c1 58172551 XPYADVOMWXIADO-UHFFFAOYSA-N 373.453 2.332 0 40 FEAB CC(C)CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 12778073 QZVJHFFBFSCRDI-UHFFFAOYSA-N 374.510 2.164 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460412 RVEDBEVQJZTJMS-RDTXWAMCSA-N 374.462 2.399 0 40 FEAB O=C(Nc1cnccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 10434390 ABPBVNMGXREOTA-UHFFFAOYSA-N 360.439 2.294 0 40 FEAB COCCNC(=O)NC(=O)CN(Cc1ccccc1)c1cccc(C)c1 10504794 WMOASEXEZBGXCZ-UHFFFAOYSA-N 355.438 2.474 0 40 FEAB C[C@@H](NC(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccccc1 45133200 IWSUPJFPDGHFFD-QGZVFWFLSA-N 368.485 2.049 0 40 FEAB CCC[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 36391720 UFPDAHCJDYDEDF-SFHVURJKSA-N 353.470 2.256 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2C(C)(C)C)cc1 28447190 XOPKFHZYNHHBTO-CYBMUJFWSA-N 350.444 2.163 0 40 FEAB CC1(C)C[C@@H](N(CCN2C(=O)CCC2=O)C(=O)c2cccs2)CCO1 12323161 CSJAOGZDMKIHNB-ZDUSSCGKSA-N 364.467 2.297 0 40 FEAB COc1ccc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(OC)c1 5053589 RGQNYBCHXCESJA-UHFFFAOYSA-N 372.406 2.360 0 40 FEAB Cc1nc([C@@H]2COCCN2C(=O)COc2cccc3c2OC(C)(C)C3)no1 96000921 CWVZBQSLQNYYRZ-AWEZNQCLSA-N 373.409 2.070 0 40 FEAB Cc1ccc(NC(=O)COc2ccccc2/C=C2/NC(=O)NC2=O)cc1 409049356 WIAMEYBRRZQEMQ-XNTDXEJSSA-N 351.362 2.193 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 14094428 XOYMZMGAGGHGHX-ZDUSSCGKSA-N 356.378 2.346 0 40 FEAB Cn1c(CCC(N)=O)nnc1SCc1cccc(Br)c1 14184817 OKFATGAZNFXCDW-UHFFFAOYSA-N 355.261 2.288 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCCC1 408608426 PMZPOUXMXOEHMS-NSHDSACASA-N 374.890 2.464 0 40 FEAB COC(=O)N[C@@](Nc1nc2ccccc2s1)(C(=O)OC)C(F)(F)F 5660439 TZGVPSXCAKFOGS-LBPRGKRZSA-N 363.317 2.496 0 40 FEAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cc(Cl)ccc1F 5628461 SQSYXUFHDTYSPD-UHFFFAOYSA-N 367.764 2.151 0 40 FEAB Cc1cc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 9322135 VPZLBNHQYDUAFG-CHWSQXEVSA-N 364.492 2.327 0 40 FEAB CC[C@@H](C)n1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 6852459 JSJYYRXVJNQYLL-GHMZBOCLSA-N 362.455 2.304 0 40 FEAB CC(C)(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 67142231 BYWQKLHPUMNZIF-QGZVFWFLSA-N 358.482 2.452 0 40 FEAB CC(=O)N1C[C@@H](C(=O)Nc2nnc(CC(C)C)s2)Oc2ccccc21 7989749 KBIHMKDCXPPMNU-AWEZNQCLSA-N 360.439 2.489 0 40 FEAB COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 17605310 MDASGDCGPITMJE-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB COc1ccc(-c2noc(CSc3nnc(C(F)(F)F)n3N)n2)cc1 8526906 FOTWJTDLRNUSEG-UHFFFAOYSA-N 372.332 2.362 0 40 FEAB O=C([C@H]1CCOc2ccccc21)N1CCC(c2ccnn2CCO)CC1 89543191 NEFOJHUJIGWERN-KRWDZBQOSA-N 355.438 2.148 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc2c(c1)NC(=O)CO2 95949155 PSIWMPNXXRCHJZ-SMDDNHRTSA-N 372.450 2.320 0 40 FEAB CO[C@H](CNC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 74931614 CLWHSMHPVJPOEQ-QGZVFWFLSA-N 360.458 2.347 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(C)c(C)c1 409390765 VVJOVAKACMBSCE-UHFFFAOYSA-N 362.451 2.301 0 40 FEAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCOCC1 22465868 AFSAKPTYEHEWHP-UHFFFAOYSA-N 358.369 2.316 0 40 FEAB COC(=O)c1ccc(OC)c(O)c1-c1c(C(=O)OC)ccc(OC)c1O 65740389 XMKQVLITHCFFGZ-UHFFFAOYSA-N 362.334 2.355 0 40 FEAB in-vitro Cc1[nH]nc2ccc(C(=O)N3CCO[C@@H](c4noc(C5CC5)n4)C3)cc12 1553863652 AVANJWCTSKFLRY-OAHLLOKOSA-N 353.382 2.345 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)[C@H]2C1 408678591 FTDCJYFOKWQFQZ-ZOBUZTSGSA-N 368.433 2.441 0 40 FEAB O=C1CC[C@](C(=O)N2CCC([C@H]3CCCO3)CC2)(c2ccccc2)CN1 553223854 CWMKWJSTIUDGAS-WIYYLYMNSA-N 356.466 2.252 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)C1(CO)CO 218392096 VPXGMBYPRHJZLA-HOTGVXAUSA-N 352.839 2.251 0 40 FEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cnc2ccccc2n1 38630262 BSRLDBXNBILWPB-QGZVFWFLSA-N 352.394 2.026 0 40 FEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCC[C@H](CC(=O)O)C1 562922202 GAWFVUYWILCUBW-GFCCVEGCSA-N 361.364 2.318 0 40 FEAB CN(C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 226062785 RCBWHSPBQJJQQA-UHFFFAOYSA-N 368.405 2.389 0 40 FEAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1CCCO 40398053 POPCDHJHUSKYOY-UHFFFAOYSA-N 355.785 2.142 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 223721050 FVCABOJNUIARHF-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(Cl)c2C)c1=O 222666644 NHMXSELTKPBXTF-UHFFFAOYSA-N 365.817 2.028 0 40 FEAB Fc1cnc(N2CCOC[C@@]3(CCCN(Cc4cccnc4)C3)C2)nc1 96229206 QXODWQBWLRJXDD-LJQANCHMSA-N 357.433 2.130 0 40 FEAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C(=O)NC3CCCCC3)C2)C1 96226058 HFMGSQBWUDMYPJ-LJQANCHMSA-N 371.441 2.283 0 40 FEAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)nc1 257284301 PCCRJVJKQZDSBH-KRWDZBQOSA-N 358.467 2.389 0 40 FEAB Cn1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)nn1 96103621 YNRVTJRNJMGZDJ-UHFFFAOYSA-N 367.434 2.327 0 40 FEAB C[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](c2ccco2)C1 608486861 WDUPDPMCFCWJDS-CJNGLKHVSA-N 352.394 2.384 0 40 FEAB Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C 616190747 IPIUOHLUIGTWFY-NCXUSEDFSA-N 358.482 2.018 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 654636708 NTQXFOWPYLEUAB-AWEZNQCLSA-N 373.413 2.117 0 40 FEAB CNC(=O)CNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 53176039 NKVAJSLMRKDWAN-UHFFFAOYSA-N 353.831 2.160 0 40 FEAB O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000149 URPPOASFZHRJQI-AEFFLSMTSA-N 371.412 2.152 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)COc3ccc(C)cc3)CC2=O)c1 5194967 MDYCNBVHBZLLLU-OAHLLOKOSA-N 354.406 2.304 0 40 FEAB O=C(Cn1nc(-c2nccc3ccccc23)oc1=O)N1CCCCCC1 12143024 OEAZLLJJBUBAEI-UHFFFAOYSA-N 352.394 2.454 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146231 YKHQXHVNESJNKA-YXJHDRRASA-N 369.465 2.333 0 40 FEAB COc1ccc(CC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 12228374 FZTMDEOBCIZBNL-UHFFFAOYSA-N 351.410 2.310 0 40 FEAB Cc1cc(=O)n(CC(=O)N2CCN(c3nccs3)CC2)c2ccccc12 19566465 AHMLJZYIYBFFMG-UHFFFAOYSA-N 368.462 2.115 0 40 FEAB CCO[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C(C)C 626276786 LPNADHRYRUBDJT-MRXNPFEDSA-N 370.471 2.176 0 40 FEAB COC[C@@]1(C)CN([C@H](C(=O)O)c2cccc(Br)c2)CCO1 629378684 IAKGYKRUJHPCLG-DZGCQCFKSA-N 358.232 2.312 0 40 FEAB CCN1C(=O)CC[C@H](C(=O)N2CCc3ccccc32)[C@H]1c1nccn1C 665119801 WLSBVUUZYDYCSM-YJBOKZPZSA-N 352.438 2.309 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CCc4nccn4C3)[nH]nc21 682501456 CDPHSQYYXFVDEZ-CYBMUJFWSA-N 361.409 2.361 0 40 FEAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccco1 3605368 BLSSUITUNIIJIB-UHFFFAOYSA-N 353.161 2.499 0 40 FEAB CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2O)cc1 8241744 MKHQMLTVLBJUKU-UHFFFAOYSA-N 350.396 2.135 0 40 FEAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888914264 QAGZOJZTWADHLZ-RRFJBIMHSA-N 358.438 2.125 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245318955 YANRWBSULLZYRN-PDOICOKGSA-N 368.518 2.353 0 40 FEAB CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1CCOC1)C2 1614940681 IYFUHNFKLREKSX-OAHLLOKOSA-N 355.438 2.228 0 40 FEAB CCCc1cc(=O)n(CC(=O)N2CCCCCC2)c(-n2nc(C)cc2C)n1 5254678 WIWMAMXFTCZZIS-UHFFFAOYSA-N 371.485 2.401 0 40 FEAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(F)cc1 7459063 YHOYOXRCGHTQBW-UHFFFAOYSA-N 371.343 2.449 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(c3ncccn3)CC2)c1 2055750724 SXOZDUDOQATGKJ-UHFFFAOYSA-N 355.442 2.025 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@]1(CC2)CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 2055794355 OVUUVAAEQQTSDB-STXHMFSFSA-N 373.501 2.116 0 40 FEAB COc1ccccc1NC(=O)C(=O)NCC[C@@H](CCO)c1ccccc1 206628836 LZDWZCAOOXMFST-INIZCTEOSA-N 356.422 2.306 0 40 FEAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)nc(C2CC2)n1 2086886934 FZYXXZYPHNMNHM-IAGOWNOFSA-N 362.433 2.284 0 40 FEAB O=C(c1cccs1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 13267417 ZGBXXNCOOYTLIU-UHFFFAOYSA-N 363.464 2.084 0 40 FEAB CC/C(NCCCN(CC)CC)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20267528 VMJYKIVHYCBFOU-WUKNDPDISA-N 372.469 2.255 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21 51868978 FLQKILCIVUUXHP-WBVHZDCISA-N 355.442 2.433 0 40 FEAB C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 32779047 PAEIEWLWCFICLY-INIZCTEOSA-N 365.433 2.500 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102323643 VSYSIDYSTAJIJK-FHIRATQRSA-N 368.474 2.387 0 40 FEAB Cc1cnc2c(S(=O)(=O)NC3CCN(C(=O)C4CC4)CC3)cccc2c1 32909234 IGFQTLHKGFSMSE-UHFFFAOYSA-N 373.478 2.223 0 40 FEAB O=C(CCc1ccsc1)NCCS(=O)(=O)N1CCc2ccccc21 41468859 XHNNZOBWNPBPJI-UHFFFAOYSA-N 364.492 2.189 0 40 FEAB Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCN(C)CC2)o1 22938373 ISMIVBOXQQPZHR-SFHVURJKSA-N 371.481 2.380 0 40 FEAB O=C(Cn1cc(I)cn1)Nc1ccc(F)c(F)c1 1432152 XUOXRXHHHYSDSY-UHFFFAOYSA-N 363.105 2.405 0 40 FEAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN(C)C)cc1 33775268 PJNSPPYTWYDWLK-XDJHFCHBSA-N 367.449 2.144 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2C)cc1OC 904667 WLTJYGLKEVJDPZ-UHFFFAOYSA-N 362.455 2.214 0 40 FEAB CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 1343387 QBLUXRUKRCNVTH-IAGOWNOFSA-N 361.442 2.377 0 40 FEAB O=C1C[C@@H](C(=O)N2CC[C@@H](OCc3ccccn3)C2)c2ccc(F)cc2N1 79110106 HQFGHRHOZFLFHT-NVXWUHKLSA-N 369.396 2.464 0 40 FEAB CCOC(=O)c1sc2ncn([C@H](CC)C(=O)OCC)c(=O)c2c1C 921188 YIDWFHNRROPRHK-SNVBAGLBSA-N 352.412 2.457 0 40 FEAB CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4553927 DREQGJGBTRZXPD-DACLVMHWSA-N 354.406 2.249 0 40 FEAB COc1ccc(CCNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 4965993 BZWKJYAYPVJKBR-UHFFFAOYSA-N 354.454 2.369 0 40 FEAB CCc1nnsc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 25217368 UCRXGOZJUQHPHR-UHFFFAOYSA-N 362.430 2.274 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)o1 56153004 KRUFRWCQHPSOOS-UHFFFAOYSA-N 370.430 2.489 0 40 FEAB C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 57396089 JBLRYRZJJGQUNF-HNNXBMFYSA-N 365.437 2.222 0 40 FEAB Cc1cc2nc(SCC(=O)NCCc3cccs3)n(C)c(=O)c2[nH]1 57522140 XTJZUJUJSMBATL-UHFFFAOYSA-N 362.480 2.083 0 40 FEAB COCCn1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)n1 108710112 WZDWLTZTTKWFRT-INIZCTEOSA-N 356.426 2.020 0 40 FEAB CNC(=O)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 10078186 LMWSCHDFESCBIR-UHFFFAOYSA-N 351.366 2.063 0 40 FEAB Cc1nn2c(=O)cc(CSc3nncn3C)[nH]c2c1-c1ccccc1 105330045 GVWHUPHWIXOUQZ-UHFFFAOYSA-N 352.423 2.419 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 173479365 GBZCTKZXBAFRNZ-OAHLLOKOSA-N 355.486 2.453 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3cccs3)CC2)c1 29168472 BKKVIBAJOUWONA-UHFFFAOYSA-N 374.462 2.292 0 40 FEAB Cn1ccnc1[C@](O)(CCNc1nccc(C(F)(F)F)n1)C(F)(F)F 45802402 KWHMYAPPOLCLJQ-LLVKDONJSA-N 369.269 2.481 0 40 FEAB COCCCNC(=O)c1c(NC(=O)c2csnn2)sc2c1CCC2 11915323 PQUZZQBJXGKWAT-UHFFFAOYSA-N 366.468 2.107 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104693 SYMKISDJSOMZAW-UHFFFAOYSA-N 373.844 2.420 0 40 FEAB CCOc1cccc2c(C)nc(NC3=NCN(C[C@@H]4CCCO4)CN3)nc12 19330189 NRKQGNUVCXBDKU-AWEZNQCLSA-N 370.457 2.104 0 40 FEAB CN(Cc1cccnc1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96004991 CSAPSANASHTNSA-KRWDZBQOSA-N 365.499 2.024 0 40 FEAB Cc1cccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)n1 13730609 REZBQDDDLUIHIZ-ZDUSSCGKSA-N 374.466 2.077 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccccc1OC(F)F 13987671 DCGJWLHMNOWOCP-UHFFFAOYSA-N 374.343 2.243 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5341748 OSCQFCJDTFYIAP-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB COc1ccc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc1O 66917173 YVACDYPNDZCGCY-LBTNJELSSA-N 350.459 2.151 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2C)cc1S(=O)(=O)NC1CC1 7312982 KKAUBUNBVQPAJF-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 15982245 MHAPVSKVLSXGJS-UHFFFAOYSA-N 366.377 2.071 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 8010913 BYPRCQZIIVEMDD-ZDUSSCGKSA-N 350.440 2.281 0 40 FEAB Cc1nn2c(nnc3c(=O)n(-c4ncccn4)ccc32)c1-c1ccccc1 38828564 LZNGEGOCNKMGSK-UHFFFAOYSA-N 355.361 2.194 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218479223 HQWCVMQDADPXSM-HBFSDRIKSA-N 373.474 2.443 0 40 FEAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217501998 FLNCLMWCCAMZBT-CQSZACIVSA-N 370.471 2.300 0 40 FEAB CCc1nc2ccc(NC(=S)NCCN3CCOCC3)cc2s1 225208301 GLSCWEYDJYOUST-UHFFFAOYSA-N 350.513 2.477 0 40 FEAB COc1nc(N2CCC(NC(=O)C3CCC3)CC2)ncc1Br 85681246 YXPMIAIZLJNNMJ-UHFFFAOYSA-N 369.263 2.133 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223303335 VAVWENQTCJOUBV-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2cccnc12 223313341 KSKUWGLDLDLFFK-UHFFFAOYSA-N 371.374 2.479 0 40 FEAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccsc1)C2 96061945 PPJHCCGKHNHULV-UHFFFAOYSA-N 355.467 2.229 0 40 FEAB Cc1ccc(CN2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)s1 96159144 NEQKHBIHLFBDQL-UHFFFAOYSA-N 358.467 2.245 0 40 FEAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(S(C)(=O)=O)CC2)cc1 96037092 NSASKURDRVKOGA-UHFFFAOYSA-N 374.510 2.055 0 40 FEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C)oc2C)C3)n1 248015211 KGWTYOCBGAOPGG-OAHLLOKOSA-N 357.410 2.447 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cc2ccncc2)CC1 257236718 HDKBVQKEDPORKT-UHFFFAOYSA-N 351.406 2.471 0 40 FEAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 26396455 PSDHKDLFDWQGIX-OAHLLOKOSA-N 363.483 2.170 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3nccn3C)CC2)C[C@H]1Cc1ccccc1 257308962 TYXZUCGACLWNRV-QGZVFWFLSA-N 366.465 2.116 0 40 FEAB COc1cc2c(c(OC)c1OC)CCN(C(=O)c1ncc(C)cc1O)CC2 548639787 ZCZKRDOSLNKDJO-UHFFFAOYSA-N 372.421 2.362 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 1123672177 RVKYVIJRQCEIMY-HOCLYGCPSA-N 372.421 2.117 0 40 FEAB O=C(NCc1cccc(OC2CC2)c1F)N[C@@H]1C[C@H]2CCCCN2C1=O 661302274 QXHWEFGWVKFWLV-UKRRQHHQSA-N 361.417 2.320 0 40 FEAB Cn1c(O)nc2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)ccc21 662687692 JAGFKVOYLYSSCO-KRWDZBQOSA-N 352.394 2.192 0 40 FEAB Cc1ncc(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)o1 1191212267 XDAGBMQEXKSVDD-UHFFFAOYSA-N 369.830 2.390 0 40 FEAB O=S(=O)(c1ccccc1)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 585112030 HIRUKQRBIDGFJL-QGZVFWFLSA-N 360.483 2.115 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCC[C@H](N(C)C)C1 585139998 CGJMRDZAJMSKLG-OKZBNKHCSA-N 363.502 2.215 0 40 FEAB CN(C)c1cc(N2CCN(c3ncccc3C(F)(F)F)CC2)ncn1 1163637945 VJUQQHCOSBWAQJ-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB O=C1CCC(=O)N1CCN1CCN(Cc2ccc(Cl)cc2Cl)CC1 72308434 VPZBUZUTSOQTPS-UHFFFAOYSA-N 370.280 2.260 0 40 FEAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5440796 FTFRKYNSNUPDIA-UONOGXRCSA-N 362.389 2.158 0 40 FEAB biogenic,in-vitro COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCC[C@@H]3C)c(=O)n12 12181610 VGLQZAXVURAPRR-AWEZNQCLSA-N 368.437 2.367 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)on2)cs1 18389006 QFUWHYCHJWKASF-UHFFFAOYSA-N 364.404 2.408 0 40 FEAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc3nccnc13)C2 19293232 FOIMJJSHNOQJEN-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)Cn3cncn3)cc2)C1 19711834 MKKWQRIRMUKDCC-MSOLQXFVSA-N 357.458 2.479 0 40 FEAB Cc1nc(N)cc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 19758589 QBGWHSBAZDJJRA-UHFFFAOYSA-N 368.437 2.233 0 40 FEAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncnc3sccc23)CN(C)C1=O 1888918108 PAGPQAOZDXICPD-MMMLSGDKSA-N 358.467 2.438 0 40 FEAB Cn1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1O 2037834903 GDLXLEQBPFRONN-AWEZNQCLSA-N 357.382 2.320 0 40 FEAB O=C(Cc1cccs1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987537 YQMIJGCYSSURFH-GFCCVEGCSA-N 358.419 2.189 0 40 FEAB COc1ccc(NC(=O)NCc2nnnn2-c2ccccc2)c(OC)c1 9615598 VKLMTFFKIREFFN-UHFFFAOYSA-N 354.370 2.001 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccsc2)c(C)c1 618254884 GIGUCCPCFJFJGJ-INIZCTEOSA-N 355.481 2.337 0 40 FEAB COc1ccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1 13513697 UCVGHUMELVMNPM-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CC=C(c2ccc(F)cc2)CC1 101745535 WCQZXBOYFRNQRH-QZTJIDSGSA-N 368.408 2.393 0 40 FEAB C[C@@H](OC(=O)CCc1ccco1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32672070 BYTITBMDIOWLPH-GFCCVEGCSA-N 365.407 2.398 0 40 FEAB Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 52410954 FDOVFUIZBQCKDC-UHFFFAOYSA-N 351.815 2.331 0 40 FEAB O=C(NCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1cccs1 41224362 HPLPYRJNCAETOL-AWEZNQCLSA-N 368.455 2.357 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 52782687 OBZRJYAJOWRHPZ-JTQLQIEISA-N 374.871 2.027 0 40 FEAB CN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCCc2ccccc21 103412003 BFZAROKEZJJUIY-NHQOTNMQSA-N 364.445 2.330 0 40 FEAB O=C(COC(=O)Cc1cccs1)NCc1cccc(NC(=O)C2CC2)c1 22485448 QXVKZCMWTXHVFB-UHFFFAOYSA-N 372.446 2.499 0 40 FEAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCOCC1 905342 OYGMRCOIBKIZKE-UHFFFAOYSA-N 374.422 2.130 0 40 FEAB Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccccc1 956589 GPEYRTOBQXWRPN-UHFFFAOYSA-N 369.446 2.292 0 40 FEAB CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1cc(C)on1)C(F)(F)F 2241110 FUUDJZSCPFEYRE-ZDUSSCGKSA-N 351.325 2.379 0 40 FEAB NC(=O)C1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1 2696555 KZLHOJPPWDFPQP-UHFFFAOYSA-N 369.204 2.437 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)c(F)c1F 3340897 JKEGVTYKVZLSJS-UHFFFAOYSA-N 355.316 2.297 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(F)cc1 3463921 YNIPWYYJVQSGOZ-LJQANCHMSA-N 353.353 2.158 0 40 FEAB CC(C)Cc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 4472978 OYSIPVNCFPXYHS-UHFFFAOYSA-N 353.469 2.290 0 40 FEAB Cc1ccn2cc(C(=O)OCc3cc(=O)n4c(C)csc4n3)nc2c1 5271753 ZYWDRWXZGUMULW-UHFFFAOYSA-N 354.391 2.378 0 40 FEAB O=C1c2ccccc2C(=O)N1CCc1nn2c(-c3ccco3)nnc2s1 5345344 MJCJCJWKSDQPEB-UHFFFAOYSA-N 365.374 2.285 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)on2)CC1=O 5786249 MWCRKTBYVVYWPY-AWEZNQCLSA-N 371.393 2.080 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)cs1 6681351 XNSAVYQNUDSLGZ-UHFFFAOYSA-N 354.453 2.332 0 40 FEAB COCc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12 7007759 OEVSJYJATIZSCL-UHFFFAOYSA-N 352.394 2.332 0 40 FEAB CCOC(=O)CSCc1cc(=O)n2cc(Br)ccc2n1 7449794 QCLKWOPJODXYQR-UHFFFAOYSA-N 357.229 2.253 0 40 FEAB Cc1c(C(N)=O)sc2ncn([C@@H](C)C(=O)Nc3ccccc3)c(=O)c12 7994963 PUQMBHCJNGLSBK-JTQLQIEISA-N 356.407 2.065 0 40 FEAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)Cc3ccccc3C)C2=O)c1 8395633 FBRGHLMBSUIPDZ-FQEVSTJZSA-N 367.405 2.045 0 40 FEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 9227054 OIIGXAWRFXOPHE-OAHLLOKOSA-N 370.384 2.438 0 40 FEAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 9882140 DRUPCWVNBAREDY-UHFFFAOYSA-N 351.385 2.369 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CNC(=O)COc3ccccc3)sc2C1 11448997 COBPNHFOVNPJII-GFCCVEGCSA-N 359.451 2.402 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCC(C)CC3)n2)c(C)o1 12146781 ZMLJCVBYDXNZSF-UHFFFAOYSA-N 358.442 2.397 0 40 FEAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12567578 VVITWZWPHSNFCY-OAHLLOKOSA-N 373.453 2.397 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 12942178 KJOVMWXEVBNXQJ-NSHDSACASA-N 360.863 2.267 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580777 FTWLIJNPIWDHRC-CYBMUJFWSA-N 372.462 2.103 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCc2ccccc2C1 14093604 SYANCOOEYNDBIF-UHFFFAOYSA-N 358.463 2.444 0 40 FEAB CC(C)(C)C(=O)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19365926 QZUIQRACPQHJJM-RBUKOAKNSA-N 360.498 2.376 0 40 FEAB in-vitro CNc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CN(C(C)=O)CC2 19711606 ZGARMNWVYFFWPF-KRWDZBQOSA-N 371.485 2.277 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c(C)c1 23387626 ZSOKFXKYHMZWNR-LJQANCHMSA-N 374.506 2.343 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Cl)c2)cc1 26105727 QWTAKLQIHODVDN-UHFFFAOYSA-N 352.843 2.357 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2CCOc3ccccc32)cc1 26199869 WJHKQQVBNONQRJ-UHFFFAOYSA-N 353.422 2.291 0 40 FEAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 28606949 VXQRNFVJLFVXAP-UHFFFAOYSA-N 369.446 2.351 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)s1 31694033 JVOLVDIKMANXSK-UHFFFAOYSA-N 359.382 2.116 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2cccc(C)c2C)nc(=O)[nH]c1C 32747175 PJRBIQKJLRZBOR-UHFFFAOYSA-N 361.423 2.213 0 40 FEAB CC[C@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCc2ccccc2C1 32825771 UXACIDJFPHEHTR-LJQANCHMSA-N 365.543 2.390 0 40 FEAB COc1cccc(CCN(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)c1 35973664 XSMBWIUSNGCSRB-UHFFFAOYSA-N 363.435 2.322 0 40 FEAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(N)ccc2n1C 36370059 IRQFYTBCBYYOMY-UHFFFAOYSA-N 353.426 2.406 0 40 FEAB biogenic Cn1ncc(C(=O)O)c1C(=O)N[C@@H](CCN1CCCCC1)c1ccccc1 36617526 VMTNGXQHNCTXTM-KRWDZBQOSA-N 370.453 2.465 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1C)O2 38848744 LXTMLCILVNSIHB-SFHVURJKSA-N 374.462 2.147 0 40 FEAB COc1cccc(COCC(=O)N2CCN(c3ccccc3O)CC2)c1 47056890 VQKWDAOGAYEPNR-UHFFFAOYSA-N 356.422 2.266 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)c1 47198585 SSBOZPJHEICTNL-UHFFFAOYSA-N 351.406 2.251 0 40 FEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@H](O)[C@@]21C 49662039 AGRFRTKLCPEWTJ-UNSGPEBQSA-N 363.498 2.381 0 40 FEAB O=C(NC[C@H]1COCCO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 55845082 LQXKPHIGBIFEJD-KRWDZBQOSA-N 364.405 2.080 0 40 FEAB Cc1ccc(C)c(OC2CCN(C(=O)NCC(=O)N3CCCC3)CC2)c1 56595611 BTMASBBXCXMANH-UHFFFAOYSA-N 359.470 2.479 0 40 FEAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 57512870 IQQYFNGVFXSJNK-UHFFFAOYSA-N 362.407 2.389 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 58217831 ZXLZVPVFJVTBHA-UHFFFAOYSA-N 371.441 2.397 0 40 FEAB COCc1nnc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)s1 71279535 NBYAZESRMLJWHK-UHFFFAOYSA-N 363.439 2.380 0 40 FEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 71846859 CSWTYMKTCGEGDW-HOTGVXAUSA-N 374.462 2.481 0 40 FEAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980351 PPXZGGBAVKUGND-JJEJIETFSA-N 358.438 2.214 0 40 FEAB O=C1OCCN1c1cccc2c1CCN(C[C@@H](O)COc1ccccc1)C2 75917175 YETZUKCONLXHPS-QGZVFWFLSA-N 368.433 2.441 0 40 FEAB CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 79413226 NQHPWUMSCVOGFT-ROUUACIJSA-N 361.486 2.477 0 40 FEAB CN(C)S(=O)(=O)c1cc(C(=O)NCCc2ccccc2Cl)co1 89319541 TULRPTACBUFBMN-UHFFFAOYSA-N 356.831 2.156 0 40 FEAB CN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 89375102 SMAUXVQFKWAWNH-HKUYNNGSSA-N 373.403 2.256 0 40 FEAB Cc1cnn(Cc2cc(C(=O)N(C)Cc3nc4ccccc4n3C)no2)c1 89702509 JXWOLZVCQFSIID-UHFFFAOYSA-N 364.409 2.387 0 40 FEAB Cc1csc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)n1 96043073 CFWZMWRJKUXDJA-CWRNSKLLSA-N 358.467 2.465 0 40 FEAB O=C1NCCN1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119716 VJBNBHRKDBWUBB-UHFFFAOYSA-N 353.338 2.478 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(Cc3c(C)noc3C)C2)C1 96226115 TZYULIHTIPCJBG-IBGZPJMESA-N 369.425 2.354 0 40 FEAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccc(C)c4)C[C@@H]32)N=C1C 96261510 YJUDFFQEBGKFKV-SVFBPWRDSA-N 355.482 2.483 0 40 FEAB CN1CCN(C(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1 96329131 MIORXTLUECZMOZ-UHFFFAOYSA-N 365.481 2.134 0 40 FEAB Cc1noc(CN2CCN(CC(=O)Nc3ccccc3C(C)C)CC2)n1 97490033 STCHALMXYAYWKK-UHFFFAOYSA-N 357.458 2.258 0 40 FEAB CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1=O 101457494 QVWPSQAPSLUQHD-JOYOIKCWSA-N 373.236 2.413 0 40 FEAB Cn1cc(N2CCC[C@H](N3CC[C@]4(C3)OCc3ccccc34)C2=O)cn1 186606633 IGDGNDPDNHVXLZ-AZUAARDMSA-N 352.438 2.047 0 40 FEAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccccc1 193412717 JSHNVAZQMYXPAZ-UHFFFAOYSA-N 365.311 2.399 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 195528653 UTCBQWUOSZRQIL-PKFCDNJMSA-N 350.415 2.015 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3sncc3c2)C1 222617107 MKZGKJQUBUGHJV-LLVKDONJSA-N 353.469 2.297 0 40 FEAB Cc1cccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 223747515 ZTEIIQGEUFMKBS-UHFFFAOYSA-N 353.465 2.219 0 40 FEAB NC(=O)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570953 STEPGEJAJWAURA-UHFFFAOYSA-N 372.396 2.377 0 40 FEAB COc1nn(C)cc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238897869 RFDBWPFSOXNHAV-GJZGRUSLSA-N 367.409 2.144 0 40 FEAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cccn3C)C2)OC1 248140394 TZGUJIBDBYEYHV-GOSISDBHSA-N 368.481 2.173 0 40 FEAB c1nc(C[C@H]2CCCN(Cc3cc[nH]n3)C2)cc(Nc2nncs2)n1 257243787 IINZGOFLKHBUSO-GFCCVEGCSA-N 356.459 2.250 0 40 FEAB COCC(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257284582 PDGGGBGDFJLMGX-KRWDZBQOSA-N 371.441 2.087 0 40 FEAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2ccc(C)s2)n1 257298346 RLHHNFZUKJLLQU-QGZVFWFLSA-N 358.467 2.389 0 40 FEAB O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257302839 SERHDWZOOBXIHG-OAHLLOKOSA-N 354.414 2.165 0 40 FEAB Nc1cc(CC[C@@H]2CN(C(=O)COc3ccccc3F)CCO2)ccn1 257326311 WWSHUOXICPXJHP-OAHLLOKOSA-N 359.401 2.042 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)O 408619243 GVSFQEBQURTNBQ-UHFFFAOYSA-N 363.435 2.322 0 40 FEAB CC(C)c1ccc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)O)CC2)cc1 548771027 FJABNDAUKAMYSS-UHFFFAOYSA-N 369.483 2.436 0 40 FEAB CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)O)cc2OC)C12CCC2 567798770 VJLQKTHBBDBPHW-CABCVRRESA-N 369.439 2.019 0 40 FEAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 575616604 RGQWRZJZUNBZDA-AWEZNQCLSA-N 357.376 2.331 0 40 FEAB COc1cccc([C@@H]2CO[C@]3(C2)CN(C(=O)c2cnco2)C[C@H]3OC)c1 585287950 JHFMKPOSTHFCQF-POZUXBRTSA-N 358.394 2.097 0 40 FEAB O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)[C@@H]1CCCN(CC(F)(F)F)C1 629265399 RDUKQSLLGINCLA-GZBFAFLISA-N 374.407 2.268 0 40 FEAB O=C(O)c1ccc(OC[C@H](O)CN2CCOc3cc(F)ccc3C2)cc1 629375654 LHJLOKOLNMTDPB-MRXNPFEDSA-N 361.369 2.158 0 40 FEAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C 634027866 WHKWYBSFKPWZRR-FQISQEPUSA-N 361.417 2.036 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1coc2cc(C)c(C)cc12 643953693 YTRMWUIAFYZKBL-HXUWFJFHSA-N 358.438 2.346 0 40 FEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(C)[C@@H]1c1nccn1C 650671269 MCYRYLXLUXLPAK-IRXDYDNUSA-N 352.438 2.307 0 40 FEAB O=C(N=c1ccc(C(F)(F)F)n[nH]1)N[C@@H]1CCO[C@H](c2cccnc2)C1 652938780 VLWVVUFGKMOCSR-NEPJUHHUSA-N 367.331 2.354 0 40 FEAB CC[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O 661463070 QGJZYKFNFFZJFF-HZPDHXFCSA-N 356.463 2.365 0 40 FEAB CC(C)[C@H](Cn1ccnn1)NC(=O)Cc1ccc(Br)cc1 669464998 OGFSHNWTLUVPCZ-AWEZNQCLSA-N 351.248 2.424 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)Nc2ccc(N3CCCC3)nc2)C1 1775958047 ZJAAMFHBJBXWAL-LSDHHAIUSA-N 372.429 2.367 0 40 FEAB Cc1nc(C2CCC2)cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888897481 GMONMALZDJCXRF-UHFFFAOYSA-N 364.457 2.056 0 40 FEAB CCCn1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 930426 LEOOFCNRQIBIPX-UHFFFAOYSA-N 362.430 2.275 0 40 FEAB CC(C)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OC1CCCCC1 1761392 QIPCYCBWKGPECJ-LSDHHAIUSA-N 370.515 2.313 0 40 FEAB NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 42851405 IHZNZBFQAIUVBH-UHFFFAOYSA-N 372.446 2.077 0 40 FEAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(S(N)(=O)=O)cc1 6509875 APBLYOJQBMTPLH-LBPRGKRZSA-N 355.419 2.373 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 25145260 RCSRHRJWAKMVGF-VXGBXAGGSA-N 364.389 2.446 0 40 FEAB COc1ccccc1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 25131820 ZDHRAGQDYKDZEH-UHFFFAOYSA-N 368.842 2.057 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)C1 55662573 ZKKUWXHPQGXPAL-QGZVFWFLSA-N 357.454 2.078 0 40 FEAB O=C([C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1)N1CCOCC1 108057067 BDBDPFAYWDBJTF-GGXPGOJBSA-N 370.449 2.076 0 40 FEAB CN(CC(=O)N1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 35413513 MTDOUFMMCOQZJF-UHFFFAOYSA-N 362.433 2.334 0 40 FEAB in-vitro Cc1[nH]c(C(=O)OCC(=O)NC2CCCC2)c(C)c1C(=O)OC(C)C 12614258 NGKXHNLGQVTCAR-UHFFFAOYSA-N 350.415 2.412 0 40 FEAB CC(C)CCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57525894 GUBDDKMCIGOBGB-UHFFFAOYSA-N 359.470 2.372 0 40 FEAB CCOC(=O)c1ccoc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27556056 FCLFLLFHGOMAMJ-NSHDSACASA-N 364.423 2.055 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 58184890 ALTSHPGUXZLJRN-CYBMUJFWSA-N 367.877 2.212 0 40 FEAB O=C(NCc1ccccn1)[C@@H]1CCC[C@@H](C(=O)NCc2ccccn2)C1 58174045 ARFJJMVLADEQSW-HZPDHXFCSA-N 352.438 2.216 0 40 FEAB CCC(CC)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCOCC1 12747031 VQDDUKUGOBKYLO-LJQANCHMSA-N 371.481 2.395 0 40 FEAB CCN(C[C@@H]1CCOC1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 58251417 RPAIPVDKHARSKL-KRWDZBQOSA-N 371.485 2.323 0 40 FEAB C[C@]12CC[C@H]3[C@@]4(CC[C@@]5(O)C[C@@H](O)CC[C@]35CO4)[C@@H]1CC[C@@H]2C(=O)O 119229609 MAUIYISYPHUCFP-JESCJWHMSA-N 350.455 2.339 0 40 FEAB COC(=O)c1ccccc1CC(=O)NCc1ccccc1N1CCOCC1 95457383 PDBPOTYRSQAFIK-UHFFFAOYSA-N 368.433 2.169 0 40 FEAB CC(C)c1nc2oc3c(N(CCO)CCO)ncnc3c2c2c1CCC2 2364210 UPLSXTRQNLXZTO-UHFFFAOYSA-N 356.426 2.174 0 40 FEAB O=C(Cc1ccccc1F)NCc1ccc(S(=O)(=O)NC2CC2)cc1 48367838 GEAWAUDLJSLPEL-UHFFFAOYSA-N 362.426 2.125 0 40 FEAB NC(=O)C1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 57669506 YTHKIKDZTDQGLF-SFHVURJKSA-N 368.485 2.465 0 40 FEAB Cc1sc2ncn(CC(=O)NC3CCN(C(C)C)CC3)c(=O)c2c1C 12811890 QCBPOXCVWUMAEG-UHFFFAOYSA-N 362.499 2.064 0 40 FEAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 11903765 YLIOIZAELPBLLF-OALUTQOASA-N 370.474 2.322 0 40 FEAB Cc1ncc(CN(C)C(=O)CN2C(=O)COc3ccc(Cl)cc32)s1 46771485 GXCRTLKDYOZAOC-UHFFFAOYSA-N 365.842 2.489 0 40 FEAB CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)NC)s1 3516190 PPQKJXGQZKGVFN-UHFFFAOYSA-N 367.456 2.228 0 40 FEAB O=C1C[C@@H](c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 13127788 JABAJTRJJGCPPH-AWEZNQCLSA-N 359.345 2.010 0 40 FEAB COc1ccc(CCNC(=S)NCCN2CCCCC2)cc1OC 13325950 QQXWDBWNLQEBGS-UHFFFAOYSA-N 351.516 2.196 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccccc1Cl 6086196 STTPTTNLHMTNEP-UHFFFAOYSA-N 352.799 2.225 0 40 FEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccnc(C2CC2)n1 95424427 FXLYFFJXUPJACO-MRXNPFEDSA-N 350.378 2.261 0 40 FEAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 5100755 CABNIMFKXIYIDV-INIZCTEOSA-N 371.359 2.202 0 40 FEAB CCCCCC(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1 6263977 VLENDKFODGKBEU-UHFFFAOYSA-N 362.396 2.472 0 40 FEAB CN(Cc1cccs1)C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 14183892 YOLNEVSDQLKFBW-UHFFFAOYSA-N 374.491 2.432 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)OCCO2 14140882 LNLAKVBIMSBNKN-UHFFFAOYSA-N 365.382 2.399 0 40 FEAB COc1cccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[nH]2)c1OC 4550167 XYMCWMSDYANSGB-AWEZNQCLSA-N 367.409 2.490 0 40 FEAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCC1=CCCCC1 6652464 BECGZGZXVNJFPE-UHFFFAOYSA-N 369.421 2.016 0 40 FEAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1C1CC1 9335732 GLQQWGOORJENOK-MRVPVSSYSA-N 358.427 2.210 0 40 FEAB COc1ccc(NC2=N[C@@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 4936904 JSNWYMXOFAGDRW-QGZVFWFLSA-N 362.393 2.396 0 40 FEAB CCOc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1 15940413 KRAGTDOVFUUDAQ-UHFFFAOYSA-N 352.350 2.101 0 40 FEAB CCn1c(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)n[nH]c1=S 68454018 YREGOOSNBKUNRG-UHFFFAOYSA-N 357.443 2.252 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C[C@@H]1C=CS(=O)(=O)C1 16446923 SHYCCNDCIHQVMI-RYUDHWBXSA-N 371.842 2.467 0 40 FEAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)nc2nc(O)[nH]c(=O)c12 81408948 HGFVVMMAUFAGQB-GXTWGEPZSA-N 364.405 2.350 0 40 FEAB O=C(CN1C(=O)CCOc2ccccc21)N[C@@H]1CCOc2ccccc21 8029235 KHFPZJJSQWGSAU-OAHLLOKOSA-N 352.390 2.442 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2)cc1OC 8394830 DNPKWRAXPOIGKZ-GZBFAFLISA-N 373.457 2.298 0 40 FEAB O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 17073302 GEPIJSOBKPDQKK-MMADZMRASA-N 354.410 2.402 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2cnnn2)cc1)CC3 95478027 PGZMCBORELNDHA-UHFFFAOYSA-N 374.404 2.351 0 40 FEAB Cc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)no1 96833089 IUUDWGPOGWUITO-UHFFFAOYSA-N 354.863 2.454 0 40 FEAB O=C(CN1CC[C@@H](COc2ccccc2)C1)NCC(=O)c1ccccc1 505836625 ASIYUKDJYWEIPJ-QGZVFWFLSA-N 352.434 2.386 0 40 FEAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 39980513 RMLDUGFLFJVZGE-INIZCTEOSA-N 350.465 2.426 0 40 FEAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C 32747789 NUJNPPOTIKRLCO-UHFFFAOYSA-N 374.462 2.230 0 40 FEAB CC(C)CC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980643 FHALRJJVTUUTEF-QGZVFWFLSA-N 360.454 2.337 0 40 FEAB CCOC(=O)c1sc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1N 72221325 OFSZLYQFIBUWEP-SNVBAGLBSA-N 370.475 2.396 0 40 FEAB COC(=O)c1nc(NC(=O)c2cc(=O)c(OC)co2)sc1C(C)C 72403228 JPCDGESOSQGXGL-UHFFFAOYSA-N 352.368 2.267 0 40 FEAB CN(C)c1ncc(NC(=O)c2ccc(Br)o2)c(N(C)C)n1 224349749 JWGAIBHRVYHPLI-UHFFFAOYSA-N 354.208 2.216 0 40 FEAB COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(Cc2cccs2)CC1 82096779 JWJZSJXIOABZTG-MRXNPFEDSA-N 365.499 2.403 0 40 FEAB CN(C)CCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O 40398059 YQVXTRQSVVWQGH-UHFFFAOYSA-N 368.828 2.321 0 40 FEAB O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccc2c(c1)OCO2 96112500 YGLVHBHIPUTMRC-ZDUSSCGKSA-N 369.352 2.405 0 40 FEAB biogenic,in-vitro COC(=O)C[C@H](c1ccccc1OC)c1c(O)nc2ccccn2c1=O 96116977 ZPYONFHYQIPJIO-CYBMUJFWSA-N 354.362 2.104 0 40 FEAB C[C@@H](Cc1cccc(O)c1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 578006591 LKIFACGAPMGUKZ-KSSFIOAISA-N 370.449 2.237 0 40 FEAB Cc1ccc(C(=O)NC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)o1 96044421 DEJFCEAKHZWSNF-KRWDZBQOSA-N 359.426 2.255 0 40 FEAB CCCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 96040068 USAKOEDSHJJLBU-IAGOWNOFSA-N 354.472 2.071 0 40 FEAB O=C(C1CC1)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244234 MKLHCYRPXOQOEN-LJQANCHMSA-N 354.410 2.092 0 40 FEAB O=C(COC[C@@]12CCO[C@@H]1CCN(Cc1ccccc1)C2)N1CCCC1 96110365 QNOVEHAAILODKD-CTNGQTDRSA-N 358.482 2.307 0 40 FEAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1 96066317 KAVQVIZSVGXKCO-QGTPRVQTSA-N 357.479 2.439 0 40 FEAB Cc1nocc1C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224470 XDVSGJYGBKQRPR-IBGZPJMESA-N 354.410 2.033 0 40 FEAB CCN(CCO)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 98075337 IRBBOQYSBLLYFX-UHFFFAOYSA-N 366.414 2.081 0 40 FEAB COc1ncc(CN2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 257290890 QESXGCUPNQGYDB-HNNXBMFYSA-N 352.442 2.455 0 40 FEAB O=C(c1cccc(-n2ccnc2)n1)N1CCC[C@@](CO)(c2ccccc2)C1 585080113 KWFDXQIFVJZVHJ-OAQYLSRUSA-N 362.433 2.434 0 40 FEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cccc3ncccc23)n1 257320752 VYLQVQNGBTXHDH-KRWDZBQOSA-N 350.378 2.253 0 40 FEAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2F)nc(C)n1 257228065 FSDOGSHXMRIEJJ-AWEZNQCLSA-N 350.419 2.492 0 40 FEAB C[C@@H]1CC2(CCOCC2)CN1[C@H](C)C(=O)NCc1ccc(C(=O)O)cc1 652449902 UNPJHOAETCHYKS-HUUCEWRRSA-N 360.454 2.281 0 40 FEAB Cn1cnnc1CC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1262707221 MRBOGTOBQCAVDS-UHFFFAOYSA-N 374.452 2.403 0 40 FEAB CC(C)C[C@@H](CO)NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1775968455 HHCXBNLMHXHNRM-KRWDZBQOSA-N 374.481 2.105 0 40 FEAB O=C(CNc1ncnc2ccsc12)N1CCN(c2ccccc2)CC1 70017674 DDNJPUGKPFIRQY-UHFFFAOYSA-N 353.451 2.452 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 43948669 LFTAFURTKCJYLZ-VQIMIIECSA-N 372.494 2.305 0 40 FEAB O=C1CO[C@]2(CCCN(CC3CCOCC3)C2)CN1c1cccc(F)c1 1615124976 YMXIFAIAQHSRKB-FQEVSTJZSA-N 362.445 2.450 0 40 FEAB CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594991 NFEWPHCBSIKMPC-BRSBDYLESA-N 354.535 2.379 0 40 FEAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCN3CCc4ccccc43)N2C=C1 12148436 KVAVUDVUQVBXSG-NRFANRHFSA-N 364.449 2.028 0 40 FEAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)[C@H]2CCCO2)CC1 12186829 NJRADGMOMYUKRY-CYBMUJFWSA-N 372.874 2.024 0 40 FEAB O=C(COc1ccc(/C=C2\NC(=O)NC2=O)cc1)Nc1ccc(F)cc1 12428937 QKWMHDGHMLIKAO-DHDCSXOGSA-N 355.325 2.024 0 40 FEAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 12661222 AUDUOJRQQZETPZ-YLAKUSLOSA-N 362.422 2.196 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268230 BKNKMEBHKPVPTI-HOCLYGCPSA-N 354.410 2.129 0 40 FEAB O=C(COc1ccccc1F)N1CCC(c2ncc3c(n2)CCNC3)CC1 19350179 BKYKIUXZPFGWPK-UHFFFAOYSA-N 370.428 2.046 0 40 FEAB O=C1C[C@H](C(=O)N2CCC(N3CCCC3)CC2)CN1Cc1cccc(F)c1 19718380 ZEIDGRUKHBGPNL-KRWDZBQOSA-N 373.472 2.261 0 40 FEAB O=C(Cc1c[nH]c2cc(F)ccc12)NCc1nnnn1-c1ccccc1 593074080 KCLCJAMVFGXYFL-UHFFFAOYSA-N 350.357 2.142 0 40 FEAB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NCc1ccc2c(c1)OCO2 3400120 VJWZVBWUTKQHOP-CYBMUJFWSA-N 370.405 2.343 0 40 FEAB O=C([C@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCSCC1 1888853270 LDRBMJYHFAKRBR-GFCCVEGCSA-N 362.282 2.169 0 40 FEAB O=C1[C@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C(=O)N1Cc1ccccc1 1888859357 SEXANIXQIGAMKR-IRXDYDNUSA-N 351.406 2.169 0 40 FEAB O=C(O)c1cccnc1SCC(=O)N1CCN(c2ccccc2)CC1 6653040 OOYUAHQQWLVOTD-UHFFFAOYSA-N 357.435 2.221 0 40 FEAB COc1ccc(CN2CCN(c3ncnc4ncccc34)C[C@@H]2C)cn1 2087000762 VGXBBUSAKPJWPS-AWEZNQCLSA-N 350.426 2.139 0 40 FEAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccco3)ccc2c1=O 3906549 NQEKJVOVWVYUPJ-UHFFFAOYSA-N 355.394 2.403 0 40 FEAB aggregator Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c(C)c1 4479274 QYSZHSWUQMGYII-UHFFFAOYSA-N 365.437 2.258 0 40 FEAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(Cl)c1 4941489 WTZJKTZZMNOMGW-NSHDSACASA-N 356.781 2.220 0 40 FEAB Cc1ccc(Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001447 RTFUBHRUAUWHRR-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)o1 9708617 WSVDNQPNDMFCFM-UHFFFAOYSA-N 362.748 2.090 0 40 FEAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1C 10104734 ZLXNGSCVTLRPSE-UHFFFAOYSA-N 367.453 2.321 0 40 FEAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2nccc(C(F)(F)F)n2)C1 2086861231 WQFCQGVPFPCLOB-AWEZNQCLSA-N 355.295 2.448 0 40 FEAB COc1ccc(CNC(=O)NCC2CCN(c3ncccn3)CC2)cc1 43977869 QNJRUVLIFHZUKP-UHFFFAOYSA-N 355.442 2.201 0 40 FEAB Cc1ccccc1Cn1c(NC2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 1298301 ZZLBTNNPADSCFI-UHFFFAOYSA-N 353.426 2.135 0 40 FEAB COc1ccc(CNC(=O)NC[C@]2(O)CCOc3ccccc32)cc1OC 75158199 QLIVNSABUUIWKH-HXUWFJFHSA-N 372.421 2.173 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 40073666 IOBVDEHCOMJVHP-IAGOWNOFSA-N 361.486 2.427 0 40 FEAB CS(=O)(=O)NCCCNC(=O)Nc1ccccc1Cc1ccccc1 40098862 BOXUBFGVUDQUHH-UHFFFAOYSA-N 361.467 2.338 0 40 FEAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1 40115998 MILPMXKKEJKWSM-UHFFFAOYSA-N 356.407 2.496 0 40 FEAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(Br)s1 40107029 FFJUATPLWQAWNO-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)cc1 30611776 DFGPTUUFGLPDKH-NSHDSACASA-N 358.423 2.416 0 40 FEAB NC(=O)[C@@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 32870797 QDGUFKXXNWFSGR-LJQANCHMSA-N 365.477 2.480 0 40 FEAB O=C(c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCCC1 33325324 GSZWEXUBYGRZFB-LBPRGKRZSA-N 365.480 2.207 0 40 FEAB Cc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1C 22601273 SYGDTJSGRCDGLQ-UHFFFAOYSA-N 350.440 2.385 0 40 FEAB COc1ccc(-c2nc(C)c(/C(O)=N/S(C)(=O)=O)s2)cc1OC 42279323 FAFRBFAROSGYDR-UHFFFAOYSA-N 356.425 2.400 0 40 FEAB CS(=O)(=O)c1ccc([C@@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 3098856 LVIWXYDETRIGBP-SFTDATJTSA-N 366.462 2.411 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCC3(CC2)OCCO3)CC1 47672548 GRMDIRDHRDWGPR-UHFFFAOYSA-N 368.474 2.435 0 40 FEAB CCOC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 866349 NDJZFHOVNXEJSL-HIFRSBDPSA-N 368.455 2.045 0 40 FEAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1 24572573 JGLNLWRKRAXOPX-UHFFFAOYSA-N 351.859 2.242 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(O[C@H](C)CC)cc1 6462627 RSFDBTJJIAKORA-LLVKDONJSA-N 362.459 2.387 0 40 FEAB CN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)cc1)c1ccccc1 55766147 BUDYJTWMZPNFFT-MRXNPFEDSA-N 365.433 2.357 0 40 FEAB COC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 26782940 BCBUPKPYQGGPNV-UHFFFAOYSA-N 355.394 2.226 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974621 KXORPBPMQUSEAZ-GFCCVEGCSA-N 374.890 2.276 0 40 FEAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)O)ccc12 2099058 UMCAGIBYYQWPFC-GFCCVEGCSA-N 361.394 2.412 0 40 FEAB biogenic CC(=O)NC1(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCCCC1 58227491 QLMYBWLDNPMEQO-UHFFFAOYSA-N 371.481 2.246 0 40 FEAB CC[C@@](C)(NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)OC 58210083 BBHLZIPRWVRCNX-OXJNMPFZSA-N 360.454 2.305 0 40 FEAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 36389662 SQRTXZIQEQGVQS-UHFFFAOYSA-N 351.450 2.069 0 40 FEAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccs1 2386471 UMRBTAAGAGWFDK-UHFFFAOYSA-N 373.463 2.373 0 40 FEAB CCc1ccccc1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 29280939 QPLIWGTXGPIMJO-KRWDZBQOSA-N 354.385 2.447 0 40 FEAB COc1ccc2c(c1)[C@@](O)(c1c(C)nn(-c3ccc(F)cc3)c1N)C(=O)N2 12804577 UXLUBVUFLDHIBK-LJQANCHMSA-N 368.368 2.099 0 40 FEAB COc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 11647325 APHXEMHFRAULHI-UHFFFAOYSA-N 372.377 2.109 0 40 FEAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ccc(OC)c(NC(C)=O)c1 25579527 YQNUCXMTIQIAGB-UHFFFAOYSA-N 363.443 2.499 0 40 FEAB COc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc(OC)c1 12901474 TZSUSTUYELUCKG-UHFFFAOYSA-N 373.340 2.298 0 40 FEAB O=c1/c(=C/c2ccccc2O)sc2n1CN(c1ccc(Cl)cc1)CN=2 13584171 ODMCESKNEOLXNK-SXGWCWSVSA-N 371.849 2.152 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@H]1Sc2ccccc2NC1=O 9314630 WMCHGAUTVXQNKO-TZMCWYRMSA-N 350.440 2.193 0 40 FEAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)CC)s1 13629597 SEKOKHXEJMFFNP-SNVBAGLBSA-N 373.431 2.267 0 40 FEAB CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1CCOC 5015786 CMWAEOYNFVJFAD-UHFFFAOYSA-N 363.483 2.440 0 40 FEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cc(-c3ccccc3)on1)CS2 65498750 UQZMQJMNNWBOSK-KBXCAEBGSA-N 357.435 2.412 0 40 FEAB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1cccnc1 9422505 DPOVJTCXMTVWLJ-SFHVURJKSA-N 358.405 2.338 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-n2cccn2)cc1 14120837 IQBUVOVGTZUAER-UHFFFAOYSA-N 359.389 2.381 0 40 FEAB CSc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679583 ZXZKSWNKFRBXRI-UHFFFAOYSA-N 361.448 2.122 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 6881689 FMYYLKPPCCGMCA-UHFFFAOYSA-N 374.485 2.304 0 40 FEAB Cc1cc(OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 6842021 NYORZNWYAYTAAZ-CYBMUJFWSA-N 357.859 2.205 0 40 FEAB O=S1(=O)CC[C@@H](N(Cc2cccnc2)C(=S)NC2CCCCC2)C1 7369917 XVMZLGPQVHELEG-MRXNPFEDSA-N 367.540 2.278 0 40 FEAB O=C(COC(=O)c1cc(Br)ccc1F)NC[C@H]1CCCO1 7690609 ZYXPPQICPLZAOJ-SNVBAGLBSA-N 360.179 2.040 0 40 FEAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164838 BALOARKVGODUEB-UHFFFAOYSA-N 358.463 2.283 0 40 FEAB O=C(NC(=S)NCCCO)c1ccccc1OCCOc1ccccc1 8158643 YQNUTNGLMFKHBB-UHFFFAOYSA-N 374.462 2.131 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 224161523 VYGKQXNKCZVEOQ-VXGBXAGGSA-N 360.426 2.378 0 40 FEAB CN(Cc1nccn1C(F)F)S(=O)(=O)c1cccc2nsnc12 19079872 LJUMVNNLPRFSJP-UHFFFAOYSA-N 359.383 2.104 0 40 FEAB CSc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 8942157 FSNPFPXRYUSZOZ-KRWDZBQOSA-N 359.407 2.407 0 40 FEAB CNC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 94541406 NPAXEXWTHYWKJI-VIFPVBQESA-N 353.307 2.049 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2)nc1 97164592 VWDYAVHUOWVLJY-UHFFFAOYSA-N 368.846 2.007 0 40 FEAB CC[C@@H](C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C)CC 95992957 XDBXTZRDBHFNIV-KBXIAJHMSA-N 369.506 2.299 0 40 FEAB CC(=O)N1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)CC1 227115174 RGLALZKIJFYFCP-UHFFFAOYSA-N 366.343 2.195 0 40 FEAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCCC1 67262373 QBNROPQKNNMOBY-UHFFFAOYSA-N 354.385 2.315 0 40 FEAB COc1ncccc1CN1Cc2ccnn2C[C@@H](OCc2ccncc2)C1 306125741 DAKAULQRLTXESI-IBGZPJMESA-N 365.437 2.283 0 40 FEAB O=CN1CCc2cc(S(=O)(=O)NCC3(c4ccccc4)CC3)ccc21 32932959 RILOQUMPNKROCC-UHFFFAOYSA-N 356.447 2.216 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc[nH]3)s2)CC1 74121658 JNTOWACNLBDUGO-UHFFFAOYSA-N 367.496 2.427 0 40 FEAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 72346967 GPAPDIXARVWRIB-LBPRGKRZSA-N 358.467 2.409 0 40 FEAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217468387 SJVNGMWBJAHINR-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218456901 DULAXBPYVIQRRT-HBFSDRIKSA-N 373.474 2.449 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(Cc2cccc3c2OC(F)(F)O3)CC1 567355412 KFGRKKYOYIDZDX-UHFFFAOYSA-N 374.409 2.008 0 40 FEAB Cn1ccnc1N1CCC(NC(=O)Cc2nsc3ccccc23)CC1 564865818 IUKIQPZCRPQBJE-UHFFFAOYSA-N 355.467 2.358 0 40 FEAB O=C(COc1ccccc1Cl)Nc1ccccc1CN1C(=O)CNC1=O 40134839 AMJBZGODMJHUAW-UHFFFAOYSA-N 373.796 2.409 0 40 FEAB O=C(c1nnn(Cc2ccccc2)c1-n1cccc1)N1CCSCC1 225584913 AIGMNSWSCULGTH-UHFFFAOYSA-N 353.451 2.306 0 40 FEAB COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(C)cc2)n1 225942513 KDERFQRQMBYBEM-UHFFFAOYSA-N 373.482 2.117 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1 96226108 LTLUQMLCAWXAHR-QGZVFWFLSA-N 357.439 2.206 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NC1CCN(c2nccs2)CC1 96099846 LCNCHJZXAMGLSY-UHFFFAOYSA-N 371.459 2.238 0 40 FEAB COc1cccc(CN2CC[C@]3(CCN(C(=O)c4ccncc4)C3)C2=O)c1 96050677 FCPHIEOWBCMNMC-OAQYLSRUSA-N 365.433 2.355 0 40 FEAB O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106843 TYGGFUBUALAOST-QGZVFWFLSA-N 353.422 2.457 0 40 FEAB O=C(c1ccncn1)N1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 247865837 OMYISPKECWVKCV-GOSISDBHSA-N 370.453 2.309 0 40 FEAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3c(C)oc4c3CCCC4)CCO2)n1 257228174 FSQWJKKLVCIEPE-HNNXBMFYSA-N 357.410 2.485 0 40 FEAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1cc(-c2cccnc2)on1 96124408 FIKVECQGDNHDSW-UHFFFAOYSA-N 355.379 2.121 0 40 FEAB CN1CCN(C(=O)c2ccccc2NC(=O)c2noc3c2CCCC3)CC1 615700414 FZWDOCPMAJGECP-UHFFFAOYSA-N 368.437 2.193 0 40 FEAB O=C(NCc1ccc(O)nn1)N[C@@H]1CCCCCN(Cc2ccccc2)C1 637179978 ZOFNNPLKPXWULD-GOSISDBHSA-N 369.469 2.426 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N[C@H](c2ccccc2F)c2nccn2C)C1 641950148 GLJDFLVGFUMGGB-XJKSGUPXSA-N 366.462 2.215 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585098181 QWLGMKISMQUPRD-OAHLLOKOSA-N 369.469 2.230 0 40 FEAB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(F)cn3)n2)C1 585101672 MLQBGUBCLVPXON-CYBMUJFWSA-N 360.437 2.648 0 40 FEAB COC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OC)CC1 12443990 OXVQSIHAPDJGCZ-UHFFFAOYSA-N 361.373 2.045 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 19209896 HFZUZRHFEXKOBJ-GCJKJVERSA-N 362.429 2.381 0 40 FEAB Cc1noc(C)c1Cc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)s1 19581092 GGBBPYXKJUHBJK-GFCCVEGCSA-N 363.483 2.394 0 40 FEAB CN1CCc2nc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncc2C1 19590614 OBQWIPYVJMKTNV-OAHLLOKOSA-N 354.429 2.162 0 40 FEAB O=C(NCC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)CCO1)c1ccccn1 19712080 YGDLISWIHYFNES-DOTOQJQBSA-N 374.462 2.223 0 40 FEAB CC(C)(S[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O)[C@H](N)C(=O)O 19927535 NSWWTVWUNAQUQG-GDBMZVCRSA-N 372.446 2.395 0 40 FEAB COC(=O)[C@@H]1CCn2c(nnc2-c2cc(OC)ccc2Br)C1 601045884 ZPDVUOFTBGFRFA-SECBINFHSA-N 366.215 2.452 0 40 FEAB O=S1(=O)CCc2nnc(COc3ccc(Cl)cc3Cl)n2CC1 630950717 FMMHFXQSXHFYRW-UHFFFAOYSA-N 362.238 2.135 0 40 FEAB CO[C@@H]1CN(C(=O)c2cccnc2N)C[C@]12C[C@@H](c1ccccc1)CO2 643585927 DEOZFLRTGLFCPD-WRWLIDTKSA-N 353.422 2.078 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN(CCOC)CCOC)c(OC)c1 6904390 MLOHZAVXDIVOHQ-RTRPANQVSA-N 353.459 2.063 0 40 FEAB c1nc(C2CCOCC2)cc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1888853010 PPBGVGZQYGXSCB-UHFFFAOYSA-N 372.498 2.426 0 40 FEAB CCn1cnc2c(N3CCN(c4cc(C)nc(C5CC5)n4)CC3)ncnc21 1888899254 ZKFHAIDQJRZKMF-UHFFFAOYSA-N 364.457 2.149 0 40 FEAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](c2ncon2)C1 238832134 GDYDLQFADRWQKG-SECBINFHSA-N 363.317 2.146 0 40 FEAB CCOC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CO)cc(=O)c1O 96335757 OLPNGGVYZUTSON-LLVKDONJSA-N 354.305 2.201 0 40 FEAB COc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c(C)c1 1565554063 QNZXOPTYQNTATN-UHFFFAOYSA-N 373.478 2.403 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2F)cc1OC 5184083 MPJHZHWENRHHTE-UHFFFAOYSA-N 364.348 2.279 0 40 FEAB Cc1ccc(Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001669 LMGAABGHNPSQPM-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB CCN1C[C@H]2C3(CCN(C(=O)C4CC4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796204 QHGVUOGJLIMAPI-PGRDOPGGSA-N 373.541 2.360 0 40 FEAB O=C(NCc1ccco1)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714525 FRDKJUOVDRJRKH-CYBMUJFWSA-N 356.426 2.027 0 40 FEAB CCc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1 2055772689 PONIBCVAKZZVDD-UHFFFAOYSA-N 366.465 2.309 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1OCCC(N)=O 40139035 QMTGYGZUOUPMTE-UHFFFAOYSA-N 370.405 2.333 0 40 FEAB Nc1nc(Cn2cc(C(F)(F)F)ccc2=O)nc(Nc2ccccc2)n1 31625391 RCQKELRSJXHOGE-UHFFFAOYSA-N 362.315 2.426 0 40 FEAB CC1(C)[C@H]2CC=C(COC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)[C@@H]1C2 102382263 HJAYXBUEHLIYJT-NFKFIGAJSA-N 355.434 2.329 0 40 FEAB COC(=O)c1ccc(F)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 32903670 GSXSPGYHWDNXDJ-UHFFFAOYSA-N 356.309 2.090 0 40 FEAB COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)n[nH]1 52778967 GJHROETYQVRIBE-CYBMUJFWSA-N 371.441 2.313 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103239134 ODGDLURDLVPJBV-VBNZEHGJSA-N 360.841 2.338 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccnc1 850036 DSRCZNGREFZFFL-CQSZACIVSA-N 364.357 2.446 0 40 FEAB biogenic,in-vitro Cc1ccc(-c2noc(CCC(=O)NCCN3C[C@H](C)O[C@H](C)C3)n2)cc1 23111039 ZAPWKSGTHHAPPG-IYBDPMFKSA-N 372.469 2.203 0 40 FEAB NC(=O)c1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)n1 78063690 RICVGRRQLHEIIW-UHFFFAOYSA-N 359.748 2.411 0 40 FEAB CC[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1 991674 NJXJKBMFLSKSIH-MRXNPFEDSA-N 351.358 2.487 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 24014218 WYYXJGVEURIMNL-RUDMXATFSA-N 367.405 2.357 0 40 FEAB CC(C)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 3247931 FQSYXNSDKIDEEH-UHFFFAOYSA-N 358.419 2.273 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 12521290 YVABDVMDAFYUPW-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCOCC2)ccc1C 24648630 QKQKUCIDSCPYOC-UHFFFAOYSA-N 354.472 2.391 0 40 FEAB O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCc1ccco1 47954911 MEURQAFQGRYEKJ-UHFFFAOYSA-N 356.470 2.287 0 40 FEAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4884930 JMAYTTKKIKIUGQ-NUXNZHGMSA-N 364.467 2.116 0 40 FEAB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NC(N)=O 6971139 OGJAQRLRUCRUTD-NTMALXAHSA-N 359.183 2.342 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCn1nccc1C 100141272 QSLMKTBGBRFLMM-GDBMZVCRSA-N 350.426 2.221 0 40 FEAB Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCCC3)cn2)n1 25539553 RVYVFFBZUOMGQQ-UHFFFAOYSA-N 363.487 2.182 0 40 FEAB COc1ccc(OCC(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1 8605498 OVAMZRYISNGVBP-UHFFFAOYSA-N 360.391 2.195 0 40 FEAB C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)NC1CC1 35380626 QCHHCPLOQLMCDC-SCSAIBSYSA-N 352.605 2.448 0 40 FEAB COc1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1 12622833 UHUKFQOHXDSVFX-NSHDSACASA-N 352.437 2.192 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NNC(=S)S)n2)cc1 1826429 CEAFUSGBESNKPQ-UHFFFAOYSA-N 369.497 2.025 0 40 FEAB Cc1cccc(N2C(=O)CN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 57747449 TXZVCXSXGUJNIP-RBUKOAKNSA-N 370.474 2.009 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccccc1Cl 27373791 MLHIDGGRMORZPB-LLVKDONJSA-N 350.854 2.245 0 40 FEAB NC(=O)NC(=O)CCN1CCC[C@H]1Cc1ccc(Br)cc1 58171214 INUXMJLKZPJCSX-ZDUSSCGKSA-N 354.248 2.041 0 40 FEAB COc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(C(C)C)no1 58194197 HSHKHMKCTVPTAA-UHFFFAOYSA-N 360.414 2.286 0 40 FEAB Cc1nc(C2(NC(=O)c3cccc(N4CCNC4=O)c3)CCCCC2)no1 58214603 LNWYDTDOVJKIKU-UHFFFAOYSA-N 369.425 2.497 0 40 FEAB COc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375226 NWDSVHIJAWIBGU-UHFFFAOYSA-N 374.462 2.278 0 40 FEAB CCn1c2ccccc2c2nnc(SCC(=O)NC[C@@H]3CCCO3)nc21 3384058 LQGJXNKLYVSPSM-LBPRGKRZSA-N 371.466 2.387 0 40 FEAB Cc1cccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 52782269 HZPLJDUQVLIOHS-UHFFFAOYSA-N 374.462 2.479 0 40 FEAB Cc1ccc2cccnc2c1NC(=O)Cc1c(C)[nH]c2nnc(C)n2c1=O 100769803 PAPBCQVAJMUSBM-UHFFFAOYSA-N 362.393 2.072 0 40 FEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1nc2ccccc2[nH]1 12803539 RNZRBOPATMIVEA-UHFFFAOYSA-N 364.327 2.102 0 40 FEAB CCn1nc(C)c(CN(C)S(=O)(=O)c2c(C)nn(CC)c2C)c1C 36614544 JRDLDOHQQBIZTF-UHFFFAOYSA-N 353.492 2.174 0 40 FEAB CCOC(=O)[C@@H]1[C@]2(Cc3ccccc3)C(=O)N[C@]1(C)Oc1cc(O)ccc12 103988515 ANVBFJBRQCOSFD-IOMROCGXSA-N 367.401 2.290 0 40 FEAB COc1cc(/C=C2/SC(=O)N(CCC(=O)O)C2=O)cc(OC)c1OC 2420196 HPDWHUHYIIEFKR-XYOKQWHBSA-N 367.379 2.223 0 40 FEAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCc2[nH]ncc2C1 108135874 URJSTNPXBPRONW-ROUUACIJSA-N 352.482 2.195 0 40 FEAB Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NS(=O)(=O)N(C)C 11814018 HVUGMSHLGAFGSX-ZDUSSCGKSA-N 355.508 2.011 0 40 FEAB COc1cccc(N(CCCC(=O)Nc2cccnc2)S(C)(=O)=O)c1 113967736 CFUUDRUSWZEVEQ-UHFFFAOYSA-N 363.439 2.275 0 40 FEAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2c1C 22975637 PXEWOKOCZNOHTE-QGZVFWFLSA-N 369.465 2.496 0 40 FEAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)nc1 6107226 DGWIQHUWEOYXJF-AWEZNQCLSA-N 353.403 2.497 0 40 FEAB CN1N=C(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)CCC1=O 14066745 XZPYSIUKHTXTJG-UHFFFAOYSA-N 356.407 2.292 0 40 FEAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc2c(c1)OCCO2 14139361 JGGSIHAEMKFPQQ-UHFFFAOYSA-N 359.403 2.261 0 40 FEAB Cc1ccc(-c2noc(CNC(=O)C(=O)NCc3cccs3)n2)cc1 14185451 RVRWOPCWMUOKEJ-UHFFFAOYSA-N 356.407 2.039 0 40 FEAB CC(C)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 5451334 FRVCZVZGHKIHJQ-UHFFFAOYSA-N 356.451 2.372 0 40 FEAB O=c1c(Cl)c(NCc2ccc(F)cc2)cnn1[C@H]1CCS(=O)(=O)C1 6590222 RNZQXQITLSRGFV-LBPRGKRZSA-N 371.821 2.008 0 40 FEAB CCCOC(=O)[C@H](CC(C)C)NC1(CNC(=O)OC(C)(C)C)COC1 306145819 RGMDAUSUQLBCRD-AWEZNQCLSA-N 358.479 2.238 0 40 FEAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 4704156 FKHHGWTYOQALBP-QGZVFWFLSA-N 367.405 2.499 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)C1=NN(c2ccccc2)C(=O)CC1 5631190 QIFCKNRDVVYISW-OAHLLOKOSA-N 365.389 2.126 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@H](c2ccccc2F)C1 66691547 XYXDSMUGKOSBKG-INIZCTEOSA-N 353.353 2.276 0 40 FEAB CCCn1c(SCC(=O)Nc2cccc(Br)c2)n[nH]c1=O 5925181 YKJMUESBIWHTGE-UHFFFAOYSA-N 371.260 2.475 0 40 FEAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C)cc1 5969211 LSYOSXLFRRWHBE-UHFFFAOYSA-N 356.378 2.193 0 40 FEAB C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488554 QLISJXYDIUQUEF-SNVBAGLBSA-N 373.858 2.332 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccc(OC)cc2OC)c1 7182423 IDMULCMNKXACRK-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB C[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 80332577 ZCUNWDGZMQIQBI-CQSZACIVSA-N 361.405 2.309 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1 7434189 ABBQLCPTZFMWNK-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1sccc1C(N)=O 7622726 WYWOIUBMBBKBQU-ZETCQYMHSA-N 354.334 2.309 0 40 FEAB O=C(NCc1ccccc1)c1cc(NCCC(=O)N2CCCC2)ccn1 95958627 MGZNBLLSHTYIDX-UHFFFAOYSA-N 352.438 2.436 0 40 FEAB C[C@@H](Cn1cc(Br)cn1)N[C@@H](C)c1nnc2n1CCCC2 97017154 JDAJPYZKUWLVFS-QWRGUYRKSA-N 353.268 2.313 0 40 FEAB COCCn1c(SCC(=O)Nc2ccncc2)nnc1-c1ccncc1 72313686 ROMOPCRVDYOWII-UHFFFAOYSA-N 370.438 2.112 0 40 FEAB O[C@H](CN1CCOCC1)CN1CCC(c2nc3ccccc3s2)CC1 26712553 BFHUJJVYIRTWRA-INIZCTEOSA-N 361.511 2.169 0 40 FEAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)NCCCn1ccnc1 33543122 UAHLBWQMNABBMZ-RVDMUPIBSA-N 370.434 2.126 0 40 FEAB COc1ccccc1NC(=O)[C@H]1[C@H](C)Nc2ncnn2[C@H]1c1cccnc1 36701715 OVFQWIJLQXAHAB-ZLIFDBKOSA-N 364.409 2.340 0 40 FEAB CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)CC 408697474 JQBDFQSBPQPLLT-UHFFFAOYSA-N 363.439 2.307 0 40 FEAB Cn1ncc2cc(C(=O)Nc3cccc(N4CCCNC4=O)c3)cnc21 530855802 YIBXDCPQWXWAOZ-UHFFFAOYSA-N 350.382 2.140 0 40 FEAB Cn1ncc2c(N3CCCC3)nc(N3CCN(c4ccccc4)CC3)nc21 32089271 XNAHGZJKXQSWKO-UHFFFAOYSA-N 363.469 2.290 0 40 FEAB COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 31809262 IUTQILASXHKARJ-BONVTDFDSA-N 362.817 2.282 0 40 FEAB CC(C)NC(=O)C1CCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)CC1 223215417 DTHDLAHWOVYRIJ-HXUWFJFHSA-N 357.454 2.333 0 40 FEAB Cc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nn(C)c(C)c2n1 41070250 ZGOTYHARJYBNHL-UHFFFAOYSA-N 366.425 2.196 0 40 FEAB CC1=C[C@@]2(Nc3cc(C)c(C)c(Br)c3O2)C(C(N)=O)=C(N)O1 40546312 PIUULIUPYXIUCQ-HNNXBMFYSA-N 366.215 2.156 0 40 FEAB O=C(CSc1ccccn1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386224 HXEBWWLNBXKMMB-OAHLLOKOSA-N 367.430 2.352 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCCNC2)C1=O)c1ccc(-c2ccccc2)cc1 577726946 PBDZKSJDIZEMCQ-OAQYLSRUSA-N 363.417 2.210 0 40 FEAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)COc1ccccc1)CC2 96044502 FRQKMLTXCPWFSA-GOSISDBHSA-N 355.438 2.352 0 40 FEAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96208087 GBAJBEQHQFBVIF-ACJLOTCBSA-N 359.451 2.269 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 248115417 AVTRDGZHIMWYOV-GOSISDBHSA-N 354.454 2.461 0 40 FEAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242464063 DULAXBPYVIQRRT-GGPKGHCWSA-N 373.474 2.449 0 40 FEAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cccs3)CC2)OC[C@]1(C)O 257284200 PBSFDUWJJBMQAS-IRXDYDNUSA-N 352.500 2.101 0 40 FEAB COc1ncccc1CN1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 253590633 CUYUDABFAWPSNM-CQSZACIVSA-N 369.469 2.075 0 40 FEAB C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1CC1CCOCC1 253592311 UXNAXNACGDWDGO-HNNXBMFYSA-N 369.469 2.011 0 40 FEAB CN(C)C(=O)[C@@H](OC(=O)CCNC(=O)c1ccccc1)c1ccccc1 26458972 MVVOIMLKDZZVSK-SFHVURJKSA-N 354.406 2.179 0 40 FEAB CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1ccc(=O)n(C)n1 257339797 ZDFMTTBJEORQDS-GBESFXJTSA-N 366.465 2.220 0 40 FEAB CC(C)(C)[C@H](C(=O)O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 663099775 WVEBHGVATYYWND-INIZCTEOSA-N 371.437 2.199 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@H]2C[C@@H](C)O[C@@H]2C)cn1 665142573 BMNYXTYGRHMUQY-ZJPZJRRFSA-N 350.463 2.407 0 40 FEAB Cc1ncc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c(N)n1 667836473 RJLCBFCBKHKGFM-UHFFFAOYSA-N 363.425 2.172 0 40 FEAB Cc1ccccc1C1(CNC(=O)[C@@H]2CCc3nnc(C)n3C2)CCOCC1 676805335 TUYDQAYXWARQRX-QGZVFWFLSA-N 368.481 2.322 0 40 FEAB Cc1noc([C@H]2OCC[C@H]2NC(=O)[C@H](C)Oc2cnc3ccccc3c2)n1 600797232 LMFMKOKWDQGVNS-JECHBYEQSA-N 368.393 2.340 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@](O)(COc2ccccc2)C1 585273531 WNOCWOZRBPUXKU-FQEVSTJZSA-N 357.454 2.012 0 40 FEAB Cc1ccc(OC[C@]2(O)CCN(C(=O)Cn3ccc(C4CC4)n3)C2)cc1 585276506 PJFPEEHXULEHES-FQEVSTJZSA-N 355.438 2.111 0 40 FEAB C[C@@H](NC(=O)c1cnc(C2CCNCC2)[nH]1)c1nc2ccccc2n1C 685941582 DKFLXLVUCLBINX-GFCCVEGCSA-N 352.442 2.254 0 40 FEAB CC(C)CS(=O)(=O)C1CCN(C(=O)COc2ccc(F)cc2)CC1 96374340 RAEWHURATVYTRC-UHFFFAOYSA-N 357.447 2.266 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3nc(N4CCOCC4)ncc32)C1 12326917 YENWCGNOYUVGCN-ZMSDIMECSA-N 374.485 2.012 0 40 FEAB CC(=O)Nc1nc(CSc2nnc(-c3cccs3)n2N)cs1 12622615 ALXZCPRGBUMXGX-UHFFFAOYSA-N 352.470 2.428 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F 13036704 LHIJMXXOWRDGPC-UHFFFAOYSA-N 367.315 2.244 0 40 FEAB Fc1ccc(-n2nnnc2CSc2nnnn2-c2ccccc2)cc1 16676049 URJNWONLIKDXDF-UHFFFAOYSA-N 354.374 2.069 0 40 FEAB Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(O)nc(-c2ccccn2)n1 19083811 WEPSZEFGOJPUNM-UHFFFAOYSA-N 366.425 2.205 0 40 FEAB COc1cc(CN2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc(OC)c1OC 19117924 QGDKCMLZYZNIHZ-HNNXBMFYSA-N 373.453 2.484 0 40 FEAB CN1CCN(N2CN(Cc3ccccc3)c3nc4ccccc4n3C2)CC1 19172394 VVKCBDKXKWVTKT-UHFFFAOYSA-N 362.481 2.436 0 40 FEAB Cc1ccc2nc(C)cc(OCC(=O)NCCN3C(=O)CSC3=O)c2c1 19220600 KWOGYRSWNLOGMA-UHFFFAOYSA-N 373.434 2.042 0 40 FEAB S=C(NCCCN1CCOCC1)Nc1ccc(Br)cc1 19285836 CLQNTBKJUPEJRH-UHFFFAOYSA-N 358.305 2.458 0 40 FEAB c1cnc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccoc2)cn1 19406243 IGJINVOGXSJQBQ-UHFFFAOYSA-N 366.425 2.328 0 40 FEAB COc1ccc(OCC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cc1 19556740 WANPXGYMJAXXLK-MRXNPFEDSA-N 366.377 2.493 0 40 FEAB CN(C)C(=O)Cn1c(C2CC2)c(CN2CCC[C@@H](CO)C2)c2cccnc21 19581265 ZKNFRIWMGYRMSZ-OAHLLOKOSA-N 370.497 2.206 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2 19710778 UVYVPNQWYSYTIS-AWEZNQCLSA-N 372.473 2.163 0 40 FEAB O=C(COC(=O)c1c(F)cccc1Cl)NC(=O)NCc1ccco1 3382718 IJAZNKDKGDIYBW-UHFFFAOYSA-N 354.721 2.255 0 40 FEAB CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1OC 11113688 LZCCOCPDXPAOCL-UHFFFAOYSA-N 371.437 2.256 0 40 FEAB O=C(CN1CCC(N(c2ccncn2)C2CC2)CC1)N1CCCCCC1 1849198056 OSWLWFDQCSCRQH-UHFFFAOYSA-N 357.502 2.312 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037915968 FDDAAZQTAJJLAY-OXQOHEQNSA-N 364.461 2.432 0 40 FEAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)c1C 1565551373 MQOZPDYKIAHWSO-UHFFFAOYSA-N 356.470 2.348 0 40 FEAB C[C@]1(C(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)CC=CCC1 1565546574 HIPLYUAFBTZZPF-IHPCNDPISA-N 359.470 2.264 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1 9036380 CAMLJZBIWWZFCL-LLVKDONJSA-N 354.428 2.219 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)s1 23107836 MCEVILVPEIMPMV-CYBMUJFWSA-N 372.537 2.470 0 40 FEAB COCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)NCc1ccccc1 101113742 PRDGSAYAMAIOSI-PTGBLXJZSA-N 366.421 2.177 0 40 FEAB COC(=O)c1ccc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1 575615356 DNGRPUOTVWQTNW-UHFFFAOYSA-N 350.378 2.199 0 40 FEAB Cc1cc(N(C)C)nc(NCCNC(=O)COc2ccc(Cl)cc2)n1 36708116 ZZWRSQHHGSWLTA-UHFFFAOYSA-N 363.849 2.112 0 40 FEAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccc1 25949594 XZXUSPJSFJCASN-UHFFFAOYSA-N 352.438 2.153 0 40 FEAB CCOC(=O)N1CCC[C@@H](C(=O)NCCn2c(C)nc3ccccc32)C1 30562972 AEQXTVGZRYZLOD-OAHLLOKOSA-N 358.442 2.329 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(-c2cccnc2)on1 40105298 CASFDDHEQGBGLU-UHFFFAOYSA-N 367.390 2.307 0 40 FEAB CC(C)(C(=O)N1CCC[C@H](C(=O)NC2CC2)C1)c1ccc2c(c1)OCCO2 50425916 WJXACSMSHKDMPG-AWEZNQCLSA-N 372.465 2.253 0 40 FEAB O=C(N[C@@H]1CCCNC1=O)c1c(-n2cccc2)sc2c1CCSC2 50636242 QGMZNWCMXPFYBD-GFCCVEGCSA-N 361.492 2.337 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)NC4CCCCCC4)CC3)nn12 20732226 ZVPMTKGENGBKJH-UHFFFAOYSA-N 356.474 2.488 0 40 FEAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 21927835 LXBDIHGJSKEEDK-UHFFFAOYSA-N 365.355 2.352 0 40 FEAB CCOC(=O)[C@H](C(C)=O)C(c1cccs1)[C@H](C(C)=O)C(=O)OCC 3091246 FLSRNXACJZHBIN-YIONKMFJSA-N 354.424 2.368 0 40 FEAB Cc1cccc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 6034520 CGJUPDFDFDIZAK-ZBFHGGJFSA-N 367.474 2.291 0 40 FEAB biogenic C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCCC1 24992579 JAMQANIDWCURSC-QWHCGFSZSA-N 364.829 2.247 0 40 FEAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180296 LQNLFZZVNGUMCJ-GNBIQWSPSA-N 371.481 2.009 0 40 FEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCC1 12772663 WCTYZUFPPVSQNY-HNNXBMFYSA-N 363.483 2.343 0 40 FEAB Cc1ccsc1CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 56156704 FPFMREDCVXKQLR-LLVKDONJSA-N 358.510 2.443 0 40 FEAB CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C1 57523203 KHVHJELZPKNVPJ-SJLPKXTDSA-N 371.481 2.207 0 40 FEAB CCCc1nnc2c(=O)n(CC(=O)NC3CCCCC3)c3ccccc3n12 57522746 PUIFGFQFYRYFAE-UHFFFAOYSA-N 367.453 2.446 0 40 FEAB Cc1cc(CN(C)Cc2nc(N)nc(N)n2)cc(C)c1OCC(F)(F)F 54395213 ODLLYRFLVNMNFH-UHFFFAOYSA-N 370.379 2.226 0 40 FEAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCn1ncc(=O)c2ccccc21 58148159 XXNNGPMYNGQQRQ-SFHVURJKSA-N 367.453 2.214 0 40 FEAB Cc1noc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(C)c2)n1 58175311 NVLIRQCOBCRHCF-MRVPVSSYSA-N 360.233 2.488 0 40 FEAB O=C1CCC(=O)N(c2ccc(C(=O)NCc3ccccc3Cl)cc2)N1 58166305 ITLKBHDFTYMVOM-UHFFFAOYSA-N 357.797 2.428 0 40 FEAB CC[C@H]1CN(C(=O)CSc2nncn2-c2ccccc2OC)CCO1 58280836 VDPTUQUHEJGWKT-ZDUSSCGKSA-N 362.455 2.005 0 40 FEAB Cc1cc(C)n(-c2ccc(CCNC(=O)CSc3ncn[nH]3)cc2)n1 58276377 GOOYZZZFAXLVKR-UHFFFAOYSA-N 356.455 2.058 0 40 FEAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCCc1ccccc1 44901583 UEGKQMWKRDMFBR-UHFFFAOYSA-N 370.449 2.363 0 40 FEAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 57669946 QAAYTDSCQCTLLG-MRXNPFEDSA-N 374.464 2.244 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@H](c2ccccc2)C1 27905996 VTCBTJKWZPFVOA-SFHVURJKSA-N 365.437 2.274 0 40 FEAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102592221 XHMFZMDICPCWCM-QBXQWZBTSA-N 350.418 2.377 0 40 FEAB CC(=O)N[C@@H](CSc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 36390452 BKVMOQLMGNSVEF-JTQLQIEISA-N 359.329 2.330 0 40 FEAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1N 2361970 XRCKHHSALVETPL-UHFFFAOYSA-N 359.411 2.300 0 40 FEAB COc1ccc(CNC(=O)Nc2cccc(-n3nnnc3C)c2)cc1OC 45689845 QTQYHHDSPOETEG-UHFFFAOYSA-N 368.397 2.310 0 40 FEAB COc1cccc(C(=O)COC(=O)c2ccccc2SCC(N)=O)c1 14198937 MRFNIXARTQEYPB-UHFFFAOYSA-N 359.403 2.312 0 40 FEAB NC(=O)[C@H]1CCCN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 14123286 HDAAJYPXRASPLV-QZTJIDSGSA-N 365.433 2.103 0 40 FEAB Cc1cccc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1C 6589835 BBAMTEBBVQHGKZ-UHFFFAOYSA-N 372.494 2.305 0 40 FEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1OC 9306798 VFNRXSJMVXFECL-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20245540 GNSSFUCSADTHCW-UHFFFAOYSA-N 363.439 2.190 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224946736 LRUVJPCEZVLDAZ-SNVBAGLBSA-N 354.457 2.257 0 40 FEAB CCOC(=O)C1CCN(C(=O)CSc2nncn2-c2ccccc2)CC1 7677883 YKDFLKSOCSXWEU-UHFFFAOYSA-N 374.466 2.161 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)Cc1cc(=O)n2ccsc2n1 7912276 MPTTVAVTOYDZNU-UHFFFAOYSA-N 362.842 2.480 0 40 FEAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)N1CCC[C@H]1c1cccs1 70017265 YTDIRDXLGUNACY-IRXDYDNUSA-N 363.527 2.208 0 40 FEAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OC)c(OC)c2)cc1 8313306 XEASBZVPWKBKDL-UHFFFAOYSA-N 358.394 2.423 0 40 FEAB COC(=O)c1c(NC(=O)COc2ccccc2C(N)=O)sc(C)c1C 9737786 AZTBSCUFYMSTBQ-UHFFFAOYSA-N 362.407 2.268 0 40 FEAB NC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 18111233 QETCBSZIEZVYDJ-UHFFFAOYSA-N 363.870 2.458 0 40 FEAB COc1ccc2nnc(CCC(=O)Nc3nc4c(s3)CCCCC4)n2n1 72406482 CYCAQNWXUGLNHK-UHFFFAOYSA-N 372.454 2.430 0 40 FEAB O=C1OCCN1CCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 84452428 OYIWEWVKSOEZPO-OAHLLOKOSA-N 360.410 2.354 0 40 FEAB C[C@@H](NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1)c1nncn1C 84668031 CARQWEXLLUGYBO-GFCCVEGCSA-N 366.466 2.013 0 40 FEAB Cc1nc(C)n(C[C@H]2CCCN(c3cncc(-n4ccnc4C)n3)C2)n1 89718012 VEEOXJQOKKEIMP-INIZCTEOSA-N 352.446 2.096 0 40 FEAB CCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@](O)(C(F)(F)F)C1 20059983 DAAWLMYWKNEFMT-OAHLLOKOSA-N 373.331 2.273 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1N 409106381 NAZRDWSHRQGLCZ-ZIAGYGMSSA-N 359.499 2.464 0 40 FEAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cn2ncnc2c(=O)[nH]1 2362797569 ITLXTERPPXEXHE-UHFFFAOYSA-N 351.363 2.094 0 40 FEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(c2cnccn2)CC1 25343221 NEPHLBUUJOEIHY-UHFFFAOYSA-N 370.501 2.227 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1 6280294 UQFAFQAARVMAMQ-QGZVFWFLSA-N 361.394 2.268 0 40 FEAB biogenic CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cc2ccccc2F)c1 30444562 FKHSLJVQNYHHCN-UHFFFAOYSA-N 364.442 2.371 0 40 FEAB CN(C)CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 37020521 LJPDRDLUSHFFLW-UHFFFAOYSA-N 361.467 2.169 0 40 FEAB CCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 39985287 GKMLJHBHYPDEEJ-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB C[C@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@@]12C 35465117 LLKIVVHUJOPYIV-ARZVMWHNSA-N 350.455 2.000 0 40 FEAB biogenic,in-vitro Cc1cc2c(cnc3nc(-c4ccccc4)nn32)c(=O)n1NC(=O)C(C)C 38784060 WKNNJZXJFVNYJN-UHFFFAOYSA-N 362.393 2.141 0 40 FEAB COC(=O)[C@@H](C)CN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1 71640084 ARJXOQQSZXMPMM-NSHDSACASA-N 374.359 2.093 0 40 FEAB O=C(Nc1ccc(C(F)(F)F)nn1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 563987888 JIYTWRUKVFNABN-QWRGUYRKSA-N 372.372 2.797 0 40 FEAB COc1cc(OC)cc(N2CC[C@@H](N(C)c3nc(C)cc(C)n3)C2=O)c1 565354162 KJZFEGXFEXFODH-QGZVFWFLSA-N 356.426 2.352 0 40 FEAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224819592 CBZMQHXZGNOEJM-UHFFFAOYSA-N 363.391 2.046 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(F)cc2)cc1 226035561 KADCFBYCKCEWKR-UHFFFAOYSA-N 366.414 2.118 0 40 FEAB CC(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)Oc2ccccc21 48324898 QGNHXNFHBWWEFS-BUXKBTBVSA-N 368.389 2.407 0 40 FEAB O=S1(=O)C[C@@H](CNc2nccc(C(F)(F)F)n2)Oc2ccccc21 572516003 BJLWGOQIJQSQMP-SECBINFHSA-N 359.329 2.142 0 40 FEAB CCSc1nnc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)s1 222921025 RFIXMMVYBMQWQI-UHFFFAOYSA-N 373.481 2.379 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(SC)s2)c1 225809078 NNHGJTXRGAMIAA-UHFFFAOYSA-N 359.454 2.156 0 40 FEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(Cc1ccccn1)C2 96044981 FHUHHZVNFXQBOZ-QGZVFWFLSA-N 356.470 2.358 0 40 FEAB Cc1occc1C(=O)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96229163 PROMPDFAQPNXMH-LJQANCHMSA-N 356.426 2.137 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)CO)cc1 242614933 PMOJBOQRGQXDHQ-GVDBMIGSSA-N 351.855 2.278 0 40 FEAB O=C(c1ccccn1)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 247824827 IQUOZTKFWBSRMJ-QGZVFWFLSA-N 353.422 2.315 0 40 FEAB Cc1ccccc1S(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 248012899 JPXOYNNPEWAYCN-MRXNPFEDSA-N 374.462 2.249 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2ccnn2C)c1 257291738 QIKITSPRNMRTBK-UHFFFAOYSA-N 363.421 2.048 0 40 FEAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cccc(C)c2)C1 257283637 OZDDPMUVJFXFIF-NRFANRHFSA-N 353.466 2.489 0 40 FEAB O[C@@H]1[C@@H](N2CCCC2)[C@H](CNc2ncccn2)C[C@H]1Oc1ccccc1 257328277 XEZBUIUDEYCBRE-NQYYFHDYSA-N 354.454 2.181 0 40 FEAB c1nc(C[C@@H]2CCCN(Cc3cc[nH]n3)C2)cc(Nc2nncs2)n1 257243788 IINZGOFLKHBUSO-LBPRGKRZSA-N 356.459 2.250 0 40 FEAB COc1cc(N2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)ccc1F 263431775 NPRSCVAOMYESJO-UHFFFAOYSA-N 358.369 2.495 0 40 FEAB COc1ccc(-c2nnc(N3CCN(Cc4cc(C)no4)CC3)o2)cc1 641270239 ZEBPUJQTAGVKAR-UHFFFAOYSA-N 355.398 2.364 0 40 FEAB N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 652384247 UROWPNSDGLNQMS-IXDOHACOSA-N 356.463 2.016 0 40 FEAB CC(=O)N[C@H]1CCCN(Cc2ccc(C(=O)O)cc2Br)C1 652389934 PJCPKSQCUTZNGL-ZDUSSCGKSA-N 355.232 2.248 0 40 FEAB C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC=CCC1 655454533 QQEWYFVYAWFMSH-VLIAUNLRSA-N 356.422 2.426 0 40 FEAB CN(CCO[C@H]1CC1(F)F)S(=O)(=O)c1ccccc1Br 663975206 OEBDLQVRANLABL-NSHDSACASA-N 370.215 2.494 0 40 FEAB CCn1nccc1C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 682429478 XEQLBGKOXUEYIA-UHFFFAOYSA-N 374.392 2.126 0 40 FEAB COc1cccc2cc(C(=O)Nc3cnn([C@H]4CCOC4)c3)c(=O)oc12 96123147 YQTZHAHZJBWTCL-ZDUSSCGKSA-N 355.350 2.212 0 40 FEAB COc1ccccc1N1CC[C@H](NC(=O)c2onc3c2CCCC3)C1=O 612285392 OXOVJINNYLAHMM-AWEZNQCLSA-N 355.394 2.097 0 40 FEAB COc1cc(C(=O)N2CCC(N(C)C[C@@H](C)O)CC2)c2ccccc2n1 613758066 LDONHNVPTCYGMQ-CQSZACIVSA-N 357.454 2.161 0 40 FEAB O=C(c1ccn(C2CCOCC2)n1)N1CCN(Cc2ccccc2)CC1 623352992 XCDXLXXRXIDYQA-UHFFFAOYSA-N 354.454 2.193 0 40 FEAB Cc1noc([C@H]2CN(Cc3cccc4c3OC(F)(F)O4)CCN2C)n1 580880367 UHOVUFXEBXZEOM-GFCCVEGCSA-N 352.341 2.188 0 40 FEAB O=C(CSC1CCCC1)N1CCCSC[C@@H]1CN1CCOCC1 90701976 BAJJNIBKXWDTCZ-HNNXBMFYSA-N 358.573 2.329 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc2cccnc12 12568775 HHIJCAHVSDKTOQ-UHFFFAOYSA-N 352.394 2.428 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(OC)c1 12978097 QCIWZDNWOIJJKB-RDTXWAMCSA-N 364.467 2.116 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 17073964 FQQHFOVURRVTII-NVXWUHKLSA-N 358.438 2.156 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c(C)c1 18227601 MSMUWYGYQQECKJ-UHFFFAOYSA-N 362.451 2.352 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3cccs3)on2)cs1 18389019 NBCSGKVHSBIWPF-UHFFFAOYSA-N 370.433 2.469 0 40 FEAB Cc1nc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)c2ccncc2n1 1888910355 MNNBKBQTQRWFOA-UHFFFAOYSA-N 363.425 2.033 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(c4nccs4)CC3)nc(C)n2)n1 1889139052 CEXQHKHFLCWGTE-UHFFFAOYSA-N 355.471 2.371 0 40 FEAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)OC 7247116 XUPLZERMKLAFFQ-CABZTGNLSA-N 364.261 2.315 0 40 FEAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)O1 2055793527 PBIBZPMNCHMYAF-UYAOXDASSA-N 363.502 2.064 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1 244975149 IDKVVCTZVYSICJ-HNNXBMFYSA-N 368.436 2.160 0 40 FEAB CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 74658851 NJZFJTNJQWGUHS-QUCCMNQESA-N 374.529 2.123 0 40 FEAB CC(C)CCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40120011 PAYJTCLEEILSBL-UHFFFAOYSA-N 369.868 2.399 0 40 FEAB C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(Cc2ccccc2)CC1 40160875 YDYNYGUNBRUSAF-OAHLLOKOSA-N 355.438 2.179 0 40 FEAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40309849 XXQFFEPEVCXAQY-IBGZPJMESA-N 351.362 2.475 0 40 FEAB biogenic O=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1ccc(Cl)cc1 21601332 VWHJXZJZZAHDDT-UHFFFAOYSA-N 360.801 2.062 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1CCc1nccn1Cc1ccccc1 47880147 IYGYELCYNQCLIO-UHFFFAOYSA-N 367.430 2.319 0 40 FEAB CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C 874179 FNLDDUBQOKHDSD-UHFFFAOYSA-N 367.427 2.163 0 40 FEAB Cn1c(CNC(=O)CCNC(=O)NCc2ccccc2)nc2ccccc21 12551170 ZZVCWVKIUGKLJA-UHFFFAOYSA-N 365.437 2.079 0 40 FEAB O=C(Cc1csc(-c2ccsc2)n1)NCCc1nnc2n1CCC2 42502794 JVBHGNOSYJYUAU-UHFFFAOYSA-N 359.480 2.311 0 40 FEAB O=C(N[C@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 1133442 VRFUCLCZLADMLG-UONOGXRCSA-N 350.205 2.468 0 40 FEAB Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 79097363 RWPDTQSNCWDRKT-JOCHJYFZSA-N 353.421 2.231 0 40 FEAB COCCCNC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 6969511 VUESLWZBMPJZCW-UHFFFAOYSA-N 354.863 2.474 0 40 FEAB Cc1ccc(S(=O)(=O)NC(=O)Nn2cc(-c3ccccc3)nc2N)cc1 8719899 CFHXUKBOBXYOCM-UHFFFAOYSA-N 371.422 2.083 0 40 FEAB O=C(NCCc1ccco1)c1sccc1S(=O)(=O)N1CCCCC1 48278902 HGPAYXCISGKDHU-UHFFFAOYSA-N 368.480 2.488 0 40 FEAB O=C(CNC(=O)Cc1csc(-c2cccs2)n1)NCc1ccco1 9607468 IMDXMQRQOLRJRM-UHFFFAOYSA-N 361.448 2.440 0 40 FEAB O=C(Cc1csc(N2CCCC2=O)n1)NCCc1nc2ccccc2[nH]1 12791799 XIVYGXDIAQNAFL-UHFFFAOYSA-N 369.450 2.048 0 40 FEAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2C)CC1 35973897 WILIRAPELQTCFU-IBGZPJMESA-N 366.465 2.314 0 40 FEAB O=C1[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 58195604 ATXRFPXAWKVCJF-MRXNPFEDSA-N 366.389 2.044 0 40 FEAB O=S(=O)(NCc1ccccc1N1CCOCC1)c1ccccc1F 58192687 YBDWOCDPQGVTSP-UHFFFAOYSA-N 350.415 2.141 0 40 FEAB Cc1sc2ncn(C[C@@H](O)CN3CCc4ccccc4C3)c(=O)c2c1C 58160938 HRXSEVSFHJKIDZ-KRWDZBQOSA-N 369.490 2.494 0 40 FEAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@@H](C(F)(F)F)C1 10286774 AQXSYXXHXAWZPA-LLVKDONJSA-N 354.328 2.474 0 40 FEAB O=C(c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 12816672 CKBUHZFOCWMOBJ-UHFFFAOYSA-N 350.465 2.331 0 40 FEAB Cc1c(O[C@H](C)C(=O)NCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2410372 KDDMDNCRJZYLLE-GFCCVEGCSA-N 373.405 2.338 0 40 FEAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccc2cccnc12 11851921 FSGOCMBWMPADLU-UHFFFAOYSA-N 357.391 2.143 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCCN(c2ncccn2)C1 170613773 TZKYNUNTCGQBNH-KURKYZTESA-N 357.502 2.074 0 40 FEAB CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 2651596 QQUVDSDLNUQNTM-UHFFFAOYSA-N 351.453 2.306 0 40 FEAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)cc1-n1cnnn1 12296433 UTCOQTJPZNNNDI-XJKSGUPXSA-N 374.876 2.310 0 40 FEAB biogenic COc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 4193099 HYEQMASLPLJYTR-UHFFFAOYSA-N 356.488 2.258 0 40 FEAB CCOc1ccc(NC(=O)C[C@H]2N=C(N3C[C@@H](C)C[C@@H](C)C3)NC2=O)cc1 13685073 BIYLAXXTVMHDRX-JKIFEVAISA-N 372.469 2.246 0 40 FEAB O=C(CNc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1c1cccs1 39978283 ZTKZROLDDHNTNX-HNNXBMFYSA-N 354.439 2.499 0 40 FEAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(-n2cnnn2)c1 14245627 XRPGXMSUFIOYIK-UHFFFAOYSA-N 367.394 2.345 0 40 FEAB COc1ccc2nc(COC(=O)c3cccs3)c(C(C)=O)[n+]([O-])c2c1 5500497 WTZRAYNBNGWAQA-UHFFFAOYSA-N 358.375 2.498 0 40 FEAB Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)[nH]n1 5640979 AREXTJWSCVCNEJ-UHFFFAOYSA-N 367.386 2.348 0 40 FEAB CCOc1ccc(C[C@@H](CNC(=O)c2c(C)noc2C)C(=O)OC)cc1 60100618 ZHBYFJVUJZYSIN-HNNXBMFYSA-N 360.410 2.452 0 40 FEAB O=C(NCCNC(=O)c1cccs1)c1nc(-c2ccccc2F)no1 15082206 AVPLVLWDIGHJKW-UHFFFAOYSA-N 360.370 2.097 0 40 FEAB COCCn1cc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cn1 95444328 CPXLXGMMCJPLCZ-UHFFFAOYSA-N 373.438 2.469 0 40 FEAB COc1ccc(CNC(=O)[C@H](C)Sc2nnnn2C(C)C)cc1OC 16453721 OBSAGWNBDHWZLJ-NSHDSACASA-N 365.459 2.068 0 40 FEAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCS(=O)(=O)C1 8134439 KCXSPCRRNJEPBV-LBPRGKRZSA-N 361.448 2.436 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)no1 8713474 RYMUTWJDJHNQFF-VIFPVBQESA-N 361.379 2.211 0 40 FEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1cccc(F)c1)C2=O 8940744 YAOLPMBUFQQZAN-DJJJIMSYSA-N 361.417 2.285 0 40 FEAB COc1ccc(Cc2nnc3sc(-c4cnccn4)nn23)cc1OC 9047231 WYIZVSGBMFYVFZ-UHFFFAOYSA-N 354.395 2.251 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 64947079 DOZMDKZDEBZXCN-UHFFFAOYSA-N 350.421 2.409 0 40 FEAB Cc1n[nH]c(CN(C)c2ccc(F)cc2S(=O)(=O)C(F)(F)F)n1 72307710 GIIPZGMOQZXZQW-UHFFFAOYSA-N 352.313 2.182 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2cc(C)ccc2C)c2ccccc2O1 29767259 JACNUKPADAGVKX-GOSISDBHSA-N 354.406 2.222 0 40 FEAB NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 35315285 TZAUILNLLXBUJY-UHFFFAOYSA-N 366.446 2.203 0 40 FEAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1 175929702 SKJLQOJDSCPJSN-MRXNPFEDSA-N 353.894 2.251 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)c1 32439774 OXRNYUKSGJJSKI-INIZCTEOSA-N 352.500 2.476 0 40 FEAB CCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408593283 PWOPOOWPZZMVNQ-CYBMUJFWSA-N 354.472 2.201 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306145155 ZZTFJWBULFUDFI-GJZGRUSLSA-N 369.444 2.004 0 40 FEAB CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 39472391 WXLVJPWWZPETBL-XYOKQWHBSA-N 356.350 2.460 0 40 FEAB Cc1oc2ccccc2c1CCNC(=O)N1CCOC[C@H]1c1nc[nH]n1 560516983 VIQVURGCYRZKJD-HNNXBMFYSA-N 355.398 2.185 0 40 FEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC)cc2)cc1 33688659 TZRQVVATOMRTCZ-UHFFFAOYSA-N 364.423 2.011 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCNC[C@H]1c1ccncc1 563880196 PDNDIZBRSBOUMN-INIZCTEOSA-N 373.840 2.222 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(OC)c3)nc2c1 71768708 ASWFEUYZJLAYMY-UHFFFAOYSA-N 371.418 2.198 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1 41573769 INLVXWZQLDNMCN-UHFFFAOYSA-N 369.468 2.271 0 40 FEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NC[C@H]1CCCO1 225738396 AKVUNTLXMHMZRQ-GFCCVEGCSA-N 365.227 2.059 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222727822 JWKIYSVGNHCZBW-OAHLLOKOSA-N 370.449 2.410 0 40 FEAB Oc1nc(CN2CCN(C[C@@H]3CCCO3)CC2)nc2cc(Cl)ccc12 96791933 ZJDUUYTYPFOITG-AWEZNQCLSA-N 362.861 2.285 0 40 FEAB C1CC(COC[C@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)CCO1 96056430 ILMHPOCGQHHVDM-VAMGGRTRSA-N 353.503 2.478 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)COc1ccccc1)C2 96227532 SDSCALJMLIQSGE-RXVVDRJESA-N 365.433 2.015 0 40 FEAB COc1ccccc1CN1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96108132 HURMTQPNZWGAHW-PZJWPPBQSA-N 353.466 2.423 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)o1 96065023 XBVWMCKJGOVCFR-PKOBYXMFSA-N 350.459 2.178 0 40 FEAB Cn1ccnc1CN1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 96240421 PFRRPCMROYPUSO-UZLBHIALSA-N 374.460 2.279 0 40 FEAB CC(C)(C)c1nc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)no1 583991627 QOBNXNXIMFNLBW-BBRMVZONSA-N 355.442 2.926 0 40 FEAB COc1ccc2[nH]cc(C(=O)N3CCO[C@@H](c4nc(C)cn4C)C3)c2c1 257250105 JLAZLEALEACPAJ-QGZVFWFLSA-N 354.410 2.432 0 40 FEAB O=C(C[C@H]1CCCCO1)N1CCC(c2n[nH]cc2C(=O)N2CCCC2)CC1 257223885 DZIXMDITUZTPEO-MRXNPFEDSA-N 374.485 2.311 0 40 FEAB Cc1ccnc([C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)CCO2)n1 257268266 MKXWXRDKWPPCMF-AWEZNQCLSA-N 353.382 2.152 0 40 FEAB CC(C)(C)CCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381772 NUVAFIYYZPATLR-LJQANCHMSA-N 371.525 2.334 0 40 FEAB biogenic,in-vitro Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCN(c3ccccc3C)CC2)n1 637554738 XPXSJVWDENLEHZ-DOTOQJQBSA-N 371.441 2.048 0 40 FEAB NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(Cl)c(F)c1 645340759 VYRCSSKFEMNVIQ-KRWDZBQOSA-N 362.788 2.469 0 40 FEAB Cc1ccc(-c2nc(C(=O)N3CCC(c4nc(N)n[nH]4)CC3)cs2)o1 647733856 BSTDNMAJTZXCMZ-UHFFFAOYSA-N 358.427 2.432 0 40 FEAB CON1CCC(CC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)CC1 666006731 MHICCULYXFJXGD-UHFFFAOYSA-N 373.497 2.333 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c(C)c1 1775959038 ATIIDYNSGYTJPE-GXFFZTMASA-N 352.378 2.046 0 40 FEAB Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1F 96121424 WLGNRGUHFXSZIL-UHFFFAOYSA-N 374.420 2.471 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOc2ccccc21 90583243 BSDLGYDAAAETBK-LJQANCHMSA-N 372.446 2.134 0 40 FEAB C[S@](=O)c1cccc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)c1 609527379 OYNCTIVCVZNGOP-VWLOTQADSA-N 355.419 2.116 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 585095826 NYMYRRLBTKYACD-XNRPHZJLSA-N 358.467 2.190 0 40 FEAB CN1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCOCC1)C2 585102604 BWDBSYHVVRMWHG-HXUWFJFHSA-N 359.514 2.421 0 40 FEAB O=C(NCCc1c(F)cccc1F)N1CCN(C2CCOCC2)CC1 83182849 BDOCJYLMIMCSKM-UHFFFAOYSA-N 353.413 2.014 0 40 FEAB O=C(c1cccc(Cn2nnnc2C2CCOCC2)c1)N1CCCCC1 576849782 MAMDQOVAIRAZJQ-UHFFFAOYSA-N 355.442 2.242 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615126945 BHNJTUNLTQMRTL-HXUWFJFHSA-N 372.444 2.266 0 40 FEAB CCc1cc(=O)[nH]c(NC2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1 12113708 KQCQYLZKWGSGEI-UHFFFAOYSA-N 366.465 2.467 0 40 FEAB NC(=O)C1CCN(C(=O)Cn2ccc3ccnc(-c4cccs4)c32)CC1 12134322 KYRODOFYDIUFDC-UHFFFAOYSA-N 368.462 2.489 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 16034000 RVCBCMYGHRUFDK-KHYOSLBOSA-N 351.450 2.083 0 40 FEAB Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c(Br)c1 17967779 FPVYBOXBRHAQPG-UHFFFAOYSA-N 369.244 2.154 0 40 FEAB COc1ccccc1-c1noc(CCC(=O)N2CCC[C@H](CN(C)C)C2)n1 19582038 SLDRBDCQBUIVLD-OAHLLOKOSA-N 372.469 2.478 0 40 FEAB CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 19756498 VQIXLLGEXCCTPT-UHFFFAOYSA-N 354.454 2.151 0 40 FEAB Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)ncc1C(=O)N1CCCCC1 19765547 ZTWDYSGGHQIYPF-QGZVFWFLSA-N 373.501 2.026 0 40 FEAB Cc1ccc(CC(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 643551300 XWXIAHVGBBVNPR-SFHLNBCPSA-N 352.434 2.079 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccnc2)c1 8711003 IASPNTCFDGDGEW-UHFFFAOYSA-N 361.467 2.351 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)no1 1888859566 STHDNGHOWZFXGU-KBPBESRZSA-N 355.442 2.279 0 40 FEAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)cn1 1888899190 YAKKGKBIWXXFCW-OAHLLOKOSA-N 363.421 2.418 0 40 FEAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888914262 QAGZOJZTWADHLZ-KFWWJZLASA-N 358.438 2.125 0 40 FEAB O=C(c1cncc(Br)c1)N1CCN(CC(F)(F)F)CC1 42316066 BLKNUDIXBPJNCC-UHFFFAOYSA-N 352.154 2.164 0 40 FEAB O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCc2[nH]nnc2C1 291850317 DNJXPIRTFDWXFC-QZTJIDSGSA-N 367.497 2.328 0 40 FEAB COCCCN1CCC[C@]2(CCCN(C(=O)c3ccc(OC)nc3)C2)C1 2056224924 GUYUNKYNNLGHAU-FQEVSTJZSA-N 361.486 2.445 0 40 FEAB COc1ccc(CN2CCN(c3cc(C)nc4cc(C)nn34)C[C@H]2C)cn1 2086992552 KOLUAXRMLHCJOI-MRXNPFEDSA-N 366.469 2.460 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565550683 FDBOKOPFNAIDEI-CZUORRHYSA-N 352.385 2.084 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)cc1 1565541747 UCCIZKNUOFJJNK-DENIHFKCSA-N 364.445 2.049 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)c3ccccc3F)CC2=O)cc1OC 5221595 SIVGPHPPNHJKID-GFCCVEGCSA-N 358.369 2.378 0 40 FEAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccon1 8893120 WYGQQMSKLPPTCI-CQSZACIVSA-N 362.455 2.408 0 40 FEAB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cn1 1775976627 CLKSSOOMFRZZIK-HNNXBMFYSA-N 363.464 2.161 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cccc(-n2cccn2)c1 575618241 FYARBRDOZYQXRK-UHFFFAOYSA-N 361.405 2.324 0 40 FEAB COc1cc2nc(N3CCC[C@@H](c4ncc[nH]4)C3)nc(N)c2cc1OC 77525651 BILXEMAQEZSJEY-LLVKDONJSA-N 354.414 2.336 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 31192625 WQUXCTFTFMDDKM-UHFFFAOYSA-N 368.368 2.407 0 40 FEAB CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 40478700 NAPADCVUVLMTJX-UHFFFAOYSA-N 365.389 2.004 0 40 FEAB COC(=O)c1ccc(-c2nc(CN3CCC(C(N)=O)CC3)cs2)cc1 50958425 KGCWSONFTZQIDO-UHFFFAOYSA-N 359.451 2.294 0 40 FEAB C[C@@H](C(=O)c1c[nH]c2ccccc12)n1nnc(-c2ccc(C(N)=O)cc2)n1 31762347 BBTZUQFLQWVLIP-NSHDSACASA-N 360.377 2.364 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccc(F)c(F)c1 51259930 PKTNNZHVCFNMDU-BEFAXECRSA-N 374.343 2.228 0 40 FEAB CC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2=O)cc1 101344464 UDEGEESKVKSFDT-DOTOQJQBSA-N 352.321 2.321 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)c1cccc(F)c1 32730751 YPHWCGOLWOWDIP-KRWDZBQOSA-N 355.417 2.383 0 40 FEAB COc1cccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 102328809 XLHSIAZYPMTQSO-USJZOSNVSA-N 358.438 2.091 0 40 FEAB CN1N=C(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCC1=O 21971794 YRKPQOOXKZYAHX-UHFFFAOYSA-N 362.861 2.029 0 40 FEAB CC(=O)Nc1nc(CN2CCN(C(=O)c3cccs3)CC2)cs1 24669905 VGKGVJGXVVJJHO-UHFFFAOYSA-N 350.469 2.121 0 40 FEAB CCOC(=O)COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC 6954775 ROUITTNTRFOQTH-KPKJPENVSA-N 353.421 2.126 0 40 FEAB COc1ccccc1N1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 8200987 WNRPQNKODMRCFE-UHFFFAOYSA-N 368.433 2.358 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(-c2ccccc2)[nH]n1 25290847 ZMCNEWDTAMNHLZ-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB O=C1C[C@H]2C(=O)N(Cc3ccccc3)[C@H]1C=C2S(=O)(=O)c1ccccc1 103013292 MNUVVQLLWRCHGX-SJORKVTESA-N 367.426 2.344 0 40 FEAB COC(=O)c1ccc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)o1 3289213 FPEBDHSUABYJLU-UHFFFAOYSA-N 368.345 2.079 0 40 FEAB COc1cccc(NC(=O)NCc2nnnn2-c2ccccc2)c1OC 9615691 HYAIUCNOAQUFFH-UHFFFAOYSA-N 354.370 2.001 0 40 FEAB COC(=O)c1sccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9638641 VBTQNYBVZYKWNZ-UHFFFAOYSA-N 368.436 2.037 0 40 FEAB CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccnc(N3CCCCC3)c2)C1 57991944 BUEJGZACOIPYSM-QGZVFWFLSA-N 373.501 2.130 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1 22226917 ZIIKJTLVRDJFLS-UHFFFAOYSA-N 360.479 2.275 0 40 FEAB CC(C)[C@H](Sc1nnnn1-c1ccccc1)C(=O)NCc1cccnc1 58202545 HVMGIXWQFQWPOE-INIZCTEOSA-N 368.466 2.490 0 40 FEAB C[C@H](O)CNS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3 54363625 RUFGYINKGKFAFG-VIFPVBQESA-N 370.268 2.360 0 40 FEAB Cc1cccc2c(=O)n(CC(=O)NCc3cnn(-c4ccccc4)c3)cnc12 10498496 HXYVANDVWAPJSO-UHFFFAOYSA-N 373.416 2.207 0 40 FEAB C[C@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 103119193 KHGBNZFTJCISQK-YJNKXOJESA-N 372.421 2.079 0 40 FEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3cccnc3)ccc21 57280336 WDQWHDAAZBDPAC-UHFFFAOYSA-N 359.451 2.204 0 40 FEAB CC(C)n1ncc2c(C(=O)N3CCNC(=O)C3)cc(-c3cccs3)nc21 28622940 JTBFAYDDRPOAQK-UHFFFAOYSA-N 369.450 2.313 0 40 FEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1SC 3452536 QONGYAJYFGQEQF-UHFFFAOYSA-N 360.391 2.386 0 40 FEAB Cn1ccnc1[C@H](NC(=O)CCNc1ncccn1)c1ccccc1F 45767949 WTVPJGNGQZATLC-MRXNPFEDSA-N 354.389 2.057 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(-c2cccnc2)on1 45880006 JWRDGTMQTCBUOT-UHFFFAOYSA-N 351.366 2.221 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)NCCc1cccc2cccnc12 29453072 XYNSQPHUODKBNX-UHFFFAOYSA-N 358.401 2.304 0 40 FEAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 12997330 DWEJHXCOAHEQBW-UHFFFAOYSA-N 364.442 2.136 0 40 FEAB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 6316227 ZBDOHDTZFCVSAL-UHFFFAOYSA-N 363.391 2.420 0 40 FEAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)on1 14123536 NLRHASVSNVGJKQ-UHFFFAOYSA-N 363.439 2.088 0 40 FEAB Cn1ncc2c(Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ncnc21 14260207 LBRSJBSUTZLLKE-UHFFFAOYSA-N 372.454 2.282 0 40 FEAB CC(C)[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC(N)=O 5448375 GBWNTYZRVYELOV-NSHDSACASA-N 367.862 2.447 0 40 FEAB COc1ccc(CCC2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1 9336263 XXPFSQSTDWKJIJ-UHFFFAOYSA-N 370.501 2.373 0 40 FEAB c1csc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 306141059 VKNHCMBQXREEPY-AWEZNQCLSA-N 370.482 2.012 0 40 FEAB Cc1occc1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 8252305 JOONHUWVWQVJRO-UHFFFAOYSA-N 353.396 2.074 0 40 FEAB COc1cccc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)c1 8704111 HZSKTDLOGHFMOI-UHFFFAOYSA-N 364.785 2.474 0 40 FEAB O=C(NCCCCn1ccccc1=O)Nc1cccc(C(=O)NC2CC2)c1 84606396 LPWQZFDLZJMRCM-UHFFFAOYSA-N 368.437 2.342 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CCNc1nc(C)cc(C)n1)CC2 85875644 XGMYSGJXAPRYNN-UHFFFAOYSA-N 370.453 2.498 0 40 FEAB biogenic CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 74682567 UUCNEZRLNKOPKB-DLBZAZTESA-N 357.454 2.089 0 40 FEAB COCCCN1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O 409240266 SDCFRUCLOWSOFT-VGOFMYFVSA-N 351.380 2.497 0 40 FEAB C[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)Cn1ncn2nccc2c1=O 79061284 RPTDMHISPLWHBZ-ZBFHGGJFSA-N 351.410 2.033 0 40 FEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 30756317 BYQQUQRHSNXNGZ-ZDUSSCGKSA-N 350.415 2.297 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCc2cc(Cl)ccc21 561137653 INGYFDPSENQHOH-UHFFFAOYSA-N 370.844 2.499 0 40 FEAB COCCNC(=O)[C@@]1(C)Oc2ccccc2N(Cc2ccccc2F)C1=O 41070666 PBDJLXQWEASQDN-HXUWFJFHSA-N 372.396 2.273 0 40 FEAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccs1 47266687 TWCOBANAISFRMZ-UHFFFAOYSA-N 352.481 2.059 0 40 FEAB Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224357 VFSOBRDOBYNELB-HXUWFJFHSA-N 352.438 2.075 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)NC1CCCCC1)C2 96237871 HFJGXLXWQQJEJZ-OAQYLSRUSA-N 370.497 2.452 0 40 FEAB Cc1cccc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)n1 247871001 LDUXKKHHDUMWHD-QGZVFWFLSA-N 361.511 2.089 0 40 FEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 245228473 ZQOYENGUZKRDDH-WPKBUWHJSA-N 362.451 2.319 0 40 FEAB O=C(c1cccc(F)c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 247873599 MRMAWFBOLSLEDW-IEBWSBKVSA-N 359.401 2.113 0 40 FEAB c1cnc(Nc2cc(CC3CCN(Cc4cc[nH]n4)CC3)ncn2)cn1 257308165 TVRDQFZLEJVYIF-UHFFFAOYSA-N 350.430 2.188 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257259331 KXVOUHLVEATYRB-CQSZACIVSA-N 359.430 2.133 0 40 FEAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)ccn1 257282047 OSCPSDOHNYMREJ-KRWDZBQOSA-N 355.442 2.472 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257287284 PPHGQVKMRKLQFE-CQSZACIVSA-N 367.446 2.390 0 40 FEAB Cc1cc(O)nc([C@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 257299850 RRWFSWTUAPCLJF-OAHLLOKOSA-N 357.385 2.261 0 40 FEAB Cc1ccsc1CN1CC2(CC[C@H](CNC(=O)c3ccno3)CO2)C1 253599301 NQCZLPDUOHJHRJ-CQSZACIVSA-N 361.467 2.456 0 40 FEAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)cn1 257294524 QUNWIXAHHSFMBD-QGZVFWFLSA-N 355.486 2.148 0 40 FEAB Cn1ccc(NC(=O)CN2CCCC[C@H]2CCNC(=O)c2ccccc2)n1 257239031 HNPYDWXKZKJZBD-KRWDZBQOSA-N 369.469 2.033 0 40 FEAB Cc1cn(C)c([C@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257242425 ICKSVKMMUVLWGI-QGZVFWFLSA-N 353.426 2.068 0 40 FEAB Cn1c(CCN2CCCC[C@H]2c2n[nH]cc2C(N)=O)nc2ccccc21 685939866 OTHWCXJLRBSSHN-INIZCTEOSA-N 352.442 2.165 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@@H](C)O2)n1 628858930 NSFXTLSJXWHSGG-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)CCN2Cc1ccccc1 575425006 WPVDFCJDJIQLQI-BGYRXZFFSA-N 356.491 2.170 0 40 FEAB COc1cccc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)c1 585276745 IFRLXIUQZWHAFJ-OAQYLSRUSA-N 355.434 2.450 0 40 FEAB Cc1nc(C)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)s1 172730430 FNIYTCMYWYBYSO-UHFFFAOYSA-N 351.497 2.266 0 40 FEAB CC(C)c1noc(CN2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)n1 585612860 NCCOHDGUDQIWEX-HUUCEWRRSA-N 354.458 2.429 0 40 FEAB Cc1ccc([C@@H](NC(=O)c2cc(=O)n(C)c3ccccc23)C(=O)O)cc1 1615052394 AIBQZHBNNQFLII-GOSISDBHSA-N 350.374 2.403 0 40 FEAB COc1ccc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)cc1 12328591 QJSRPALDALGDEK-INIZCTEOSA-N 356.426 2.409 0 40 FEAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCCO 12896226 XUBCLPVBNFYOFG-UHFFFAOYSA-N 369.373 2.043 0 40 FEAB biogenic O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 15675046 RTCVXFCYEBZAFG-CVEARBPZSA-N 366.377 2.138 0 40 FEAB biogenic,in-vitro Cc1ccc(-c2nnn(CC(=O)NCC(C)(C)N3CCCCC3)n2)cc1 19661723 VACVCLMXXXMMIH-UHFFFAOYSA-N 356.474 2.029 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)C1 19662810 XXKZJHPAIPUDNG-ZDUSSCGKSA-N 350.444 2.145 0 40 FEAB Cc1cc(C)c2cc(C(=O)NCCCN3CCC(C(N)=O)CC3)[nH]c2c1 19714643 PCDHDRDRGLBTNO-UHFFFAOYSA-N 356.470 2.102 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1cccc(Cl)c1 9821982 RSNZAQHKGORCNE-UHFFFAOYSA-N 353.835 2.166 0 40 FEAB Cc1nc2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2s1 13792252 RUZULNXHCDRRTR-CYBMUJFWSA-N 353.469 2.357 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 585083170 AUHGKVKYLIVKRG-OAHLLOKOSA-N 358.829 2.488 0 40 FEAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N(CC(F)F)C3CC3)cc2)C1 1251690391 LQHFLVCGSRFDQH-ZDUSSCGKSA-N 351.397 2.258 0 40 FEAB Cc1cc(N2CCN(Cc3ccc(F)cc3)CC2)nc(N2CCOCC2)n1 1889119477 URLLYQUWHKOLGR-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 24960984 CEGQAQXDTVSNRV-RBZFPXEDSA-N 357.454 2.247 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C 6175210 XLJJLDPAMOFFCP-VIFPVBQESA-N 363.277 2.031 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2noc(-c3ccco3)n2)C1 238958742 YFTYDFJJUOUWDC-NSHDSACASA-N 364.383 2.113 0 40 FEAB Cc1nc(CN2CCO[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@H]32)cs1 2056224529 LOJDEERGDIVADM-ROUUACIJSA-N 369.494 2.413 0 40 FEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)cc1F 1614940753 VXQHTKVFONKCTE-MRXNPFEDSA-N 364.461 2.479 0 40 FEAB COc1nc(N2CCC(NC(=O)C(C)(C)C)CC2)ncc1Br 2086923659 QFIFDRWETAZRDW-UHFFFAOYSA-N 371.279 2.379 0 40 FEAB CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 4113638 AIWLCVGYQQMTIQ-OAHLLOKOSA-N 364.398 2.294 0 40 FEAB Cc1c(C)n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2[nH]c1=O 4250463 HXRBZCDVXXRPEF-UHFFFAOYSA-N 363.830 2.419 0 40 FEAB C/C=C\C(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12009572 YEZYDTPJHBNAMG-DJWKRKHSSA-N 351.366 2.219 0 40 FEAB CN([C@@H]1CCCN(c2ccc(C(F)(F)F)nc2)C1)S(=O)(=O)C1CC1 2086861481 TUMBEFQIWXJDIH-GFCCVEGCSA-N 363.405 2.493 0 40 FEAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 7976006 SIOYHTHAULXGPS-UHFFFAOYSA-N 350.334 2.133 0 40 FEAB COCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccccc2Cl)C1 20227708 DHYCGBDCAGCAEL-UHFFFAOYSA-N 352.847 2.380 0 40 FEAB C[C@H](OC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(=O)N1CCNC1=O 31408396 GKRJXQJIGHUAEL-NSHDSACASA-N 351.362 2.418 0 40 FEAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2)C(=O)N3)cc1 20745877 UUSYDYDRYRJBJW-OAHLLOKOSA-N 363.377 2.476 0 40 FEAB Cc1c(C(=O)NCCc2nnc3ccccn23)[nH]c2c1C(=O)CC(C)(C)C2 32741374 RKJMILCDPUSBGS-UHFFFAOYSA-N 365.437 2.493 0 40 FEAB CC(=O)N1C[C@@H](C(=O)NC[C@H](c2ccccc2)N(C)C)Oc2ccccc21 32819031 IDUOSKUZUIWCTQ-QUCCMNQESA-N 367.449 2.220 0 40 FEAB Cn1nnnc1-c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 22236301 WZZMZFMBBCKEIP-UHFFFAOYSA-N 362.393 2.478 0 40 FEAB CNC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 9113077 WYQPBAGYHMOHHG-JTQLQIEISA-N 371.311 2.139 0 40 FEAB COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 42647081 XUCLTCZEVRDEFV-NVXWUHKLSA-N 358.438 2.210 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 1032692 CVGRUDRTVAJKLK-UHFFFAOYSA-N 355.393 2.107 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[C@H]1c1ccccc1 79188562 REZBKXLWJJWOSH-NEOGFGCTSA-N 356.466 2.360 0 40 FEAB CCCCC[S@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCC 6397395 HBDJWXISPOPUAE-AFHBHXEDSA-N 356.575 2.030 0 40 FEAB CCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 6951252 XEGAVQSHBZMCOJ-BJMVGYQFSA-N 355.188 2.379 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)cc1 7639869 USFSVMQLBIGTDQ-UHFFFAOYSA-N 355.394 2.444 0 40 FEAB COC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12520916 PVLGDMVEEXNJMD-LBPRGKRZSA-N 366.414 2.391 0 40 FEAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1 8416910 OYADTYYXYVCKPX-UHFFFAOYSA-N 373.365 2.086 0 40 FEAB CCOC(=O)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1 25186079 VOJULYWNXGYFFU-UHFFFAOYSA-N 361.427 2.069 0 40 FEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCc2cc(Cl)ccc21 55739144 KXDCKNXPGUADAH-HNNXBMFYSA-N 369.808 2.147 0 40 FEAB Cn1c(SCC(=O)Nc2ccccc2F)nc2c(c1=O)SCC2 9560219 GEJCZPWRAITJLU-UHFFFAOYSA-N 351.428 2.298 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404239 BZRBDMIMIVNODL-CHWSQXEVSA-N 351.362 2.356 0 40 FEAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1nc2c(s1)CCCC2 12769223 NJEXHPGQQKTVJT-UHFFFAOYSA-N 370.434 2.414 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 58137681 HRCIUXSQKMWWLO-INIZCTEOSA-N 371.456 2.401 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2nccs2)CC1 10269998 SINLPHBVMDQWPX-INIZCTEOSA-N 372.494 2.246 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 3325150 DGQKUOHWKOMZIA-UHFFFAOYSA-N 355.799 2.396 0 40 FEAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCSCC1 2286923 SZNOCEHDSQVQDI-UHFFFAOYSA-N 365.430 2.471 0 40 FEAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]2C=C[C@H]1CC2 102361890 AZILDUUYUIDGLK-USJZOSNVSA-N 358.413 2.387 0 40 FEAB COc1cccc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)n1 108528328 KXNQKNVVTHXRQP-UHFFFAOYSA-N 352.438 2.270 0 40 FEAB Nc1nc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n[nH]1 2649784 BCBKUCFIZLMYNL-UHFFFAOYSA-N 368.422 2.370 0 40 FEAB C[C@@H]1CCCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 20493279 NTBZEHWGSWUQQR-IAQYHMDHSA-N 372.874 2.126 0 40 FEAB NC(=O)Nc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 3568234 RTPDFHNTJXKOCP-UHFFFAOYSA-N 354.366 2.067 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)nc1O 12984626 BHRGQZCXDASGKC-LBPRGKRZSA-N 368.311 2.320 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1cccs1 3601000 LOODTHZZZIHGFA-IBGZPJMESA-N 369.446 2.148 0 40 FEAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCCC2 22100536 WONFLBBPNWLSEZ-AWEZNQCLSA-N 364.511 2.414 0 40 FEAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C[C@@H](C)O1 14095109 HKIZKHOPMAHOCB-GASCZTMLSA-N 359.470 2.407 0 40 FEAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1cccc(Cl)c1 14136088 NOSIRVGZXTWNDA-KRWDZBQOSA-N 373.840 2.051 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccccc1F 6548853 FUYXBBPXLCTIFR-ZDUSSCGKSA-N 370.380 2.077 0 40 FEAB O=C1NN=C(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 19822777 FSKZRRAFVPQQCR-UHFFFAOYSA-N 350.783 2.250 0 40 FEAB CCCN(CC)C(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cccnc2)C1 306134976 ODPHHAULNXWSCT-FQEVSTJZSA-N 369.469 2.168 0 40 FEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O 15843064 YUDRUSXPTSQBBO-UHFFFAOYSA-N 364.467 2.452 0 40 FEAB CCOc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 7737565 PAVHGGZTEKRYTF-UHFFFAOYSA-N 363.439 2.245 0 40 FEAB Cc1nnc(SCc2cc3c(cc2Br)OCCO3)n1N 7781643 FRQAOSMYGKCWEK-UHFFFAOYSA-N 357.233 2.126 0 40 FEAB COc1cc(C(=O)OCC(=O)Nc2ccccc2F)cc2c1OCCO2 7939105 RJABGVJCWPNYHH-UHFFFAOYSA-N 361.325 2.401 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 69371033 LHMAZYTVRHFWNL-HFJWLAOPSA-N 370.474 2.096 0 40 FEAB O=C(CN1C(=O)CCC1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 24961790 XVAGTGCVDWFSNI-UHFFFAOYSA-N 363.369 2.133 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C 8719995 LBRMLCGTSPWDFD-UHFFFAOYSA-N 369.377 2.414 0 40 FEAB C[C@H]1CN=C(N2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)S1 72298018 NTEBSVDXMWHNKF-LBPRGKRZSA-N 369.437 2.466 0 40 FEAB O=C(O)[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 89774512 HXGWYFDLPLAKAT-ZDUSSCGKSA-N 357.328 2.439 0 40 FEAB CCS(=O)(=O)N1c2ccc(C(=O)NCCCOC(C)C)cc2C[C@@H]1C 20449219 AKMNCQOADNXIHN-AWEZNQCLSA-N 368.499 2.332 0 40 FEAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 408707760 DSFZDKCGZIVCNJ-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB Cn1cc(CN2C[C@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)cn1 306138076 ROLAFCQEWRKGBT-ZWKOTPCHSA-N 367.478 2.365 0 40 FEAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@@H]4C=C[C@H](CO)C4)c3)cc21 547466869 VQHIEAXARYEXPO-BLLLJJGKSA-N 364.405 2.008 0 40 FEAB O=C(Nc1nncn1C1CC1)c1cc(-c2ccc(Br)cc2)[nH]n1 557110598 VJVFGTFMMCVABR-UHFFFAOYSA-N 373.214 3.018 0 40 FEAB NN1CC(=O)N2[C@@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6596937 HLQPGBVLKOXMMG-RBUKOAKNSA-N 374.444 2.311 0 40 FEAB biogenic Cc1ccc2c(=O)cc(C(=O)N3CCN(Cc4ccncc4)CC3)oc2c1 32623669 CXKZLMBOPLNPCH-UHFFFAOYSA-N 363.417 2.454 0 40 FEAB Cc1cc2nc(NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2n1 32743578 QOZJXDWHJUDJPI-UHFFFAOYSA-N 367.434 2.450 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 72390953 ZRLIYCYJNCLMIU-ZIAGYGMSSA-N 370.428 2.045 0 40 FEAB CN1C(=O)CO[C@H](c2ccc(NC(=O)CCc3ccccc3)cc2)[C@H]1CO 72321451 ROVZELCLORMCNX-WIYYLYMNSA-N 368.433 2.149 0 40 FEAB biogenic,in-vitro COc1cccc(CC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 72393902 YVETUKJPRSHEGU-OAHLLOKOSA-N 365.437 2.321 0 40 FEAB COc1cccc(OCCNC(=O)COc2cc(OC)cc(OC)c2)c1 224254858 DSFXXIGDVWKGJC-UHFFFAOYSA-N 361.394 2.286 0 40 FEAB CCN(C(=O)[C@H](C)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 40005339 AOBXGDRWZKUNFU-QWHCGFSZSA-N 358.891 2.484 0 40 FEAB Cc1ccsc1C(=O)N1C[C@H](C(=O)NC(C)C)C2(CCOCC2)C1 96240781 GRCFCQIIJNDLHX-CQSZACIVSA-N 350.484 2.450 0 40 FEAB O=C1[C@@H]2C[C@@H](CN2C2COC2)Oc2ccccc2N1Cc1ccccc1 96111779 YGIFGTJQIBYAPF-HKUYNNGSSA-N 350.418 2.454 0 40 FEAB biogenic,in-vitro CN1CCC[C@@H](CNc2ccc(C(F)(F)F)nn2)[C@@H]1c1cncn1C 583618977 OBKFCVRREIUPDX-XHDPSFHLSA-N 354.380 2.724 0 40 FEAB Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)n3C)c(=O)n2c1 96347388 SUXYQZIDFABZMN-UHFFFAOYSA-N 360.417 2.467 0 40 FEAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(CC2CC2)CC3)C1=O 97952901 VNMHMMUPWJLDPP-NRFANRHFSA-N 369.513 2.027 0 40 FEAB CC(C)c1nccn1CCC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257253919 KAVXBFOIRDGOAG-KRWDZBQOSA-N 357.458 2.047 0 40 FEAB O=C(NC[C@]1(O)CCCN(c2ccccn2)C1)C1CCC(F)(F)CC1 257238261 HKEGKWBBWMBVNE-QGZVFWFLSA-N 353.413 2.355 0 40 FEAB CC(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3nc(C)cc(C)n3)CC2)CC1 252570591 WWHPWRHMJJMTRG-IYARVYRRSA-N 374.485 2.158 0 40 FEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 262388781 PDDPXMUGQUFOMB-LBPRGKRZSA-N 351.346 2.419 0 40 FEAB COC(=O)[C@H]1CCc2nnc(COc3ccc(Br)cc3)n2C1 601045189 TYZLFSLIKXGULY-JTQLQIEISA-N 366.215 2.355 0 40 FEAB O=C(NCc1ccc(-c2cnc[nH]2)cc1)c1cncc(N2CCOCC2)c1 633524474 ZTVXWFOKVFRWIT-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(Oc3cccnn3)CC2)cc1C 96119361 FZQVMJDCCJVRMF-UHFFFAOYSA-N 363.439 2.026 0 40 FEAB O=C(NC1CC2(CCN(C(=O)c3ccsc3)CC2)C1)c1ccnnc1 585103361 BICGFUBVBINNRQ-UHFFFAOYSA-N 356.451 2.353 0 40 FEAB CN(C)C/C=C/C(=O)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585289970 OYUJEUOZQGVEHI-SCNWZZHGSA-N 358.482 2.471 0 40 FEAB Cc1nccc(N2CC[C@@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)n1 585180123 FXNFZQZSOPSPIX-GFCCVEGCSA-N 368.466 2.485 0 40 FEAB O=C(CCC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F)c1ccc(F)cc1 58224717 FTHQNZLBEUVKCS-ZDUSSCGKSA-N 374.334 2.458 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)c1cccc(N2CCCS2(=O)=O)c1 58716759 CKZAKAITQGRVAH-UHFFFAOYSA-N 372.446 2.438 0 40 FEAB Cc1cc(OC[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccn1 1775972288 WIBDUHNLUKRMSS-OAHLLOKOSA-N 365.455 2.475 0 40 FEAB COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2)c2nn[nH]n2)c1 5483501 ZDZVOCCMLCNVDX-HNNXBMFYSA-N 353.382 2.182 0 40 FEAB Cc1noc(C)c1-c1nc(N2CC[C@H](O)[C@H](C)C2)ncc1-c1cnccn1 12155865 VXRLHJMDNYOEKT-BZNIZROVSA-N 366.425 2.413 0 40 FEAB Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 16314326 QBPYXZCHVBYBCC-JKSUJKDBSA-N 368.524 2.360 0 40 FEAB Cc1nc(C)c(C(=O)N2CCO[C@H](C(=O)N3CCCCCC3)C2)s1 19747196 XVWNEISNTYVLIZ-AWEZNQCLSA-N 351.472 2.004 0 40 FEAB Cc1ccc(N2CCCN(C(=O)c3cc(Br)co3)CC2)nn1 516406987 BLMUHOHMNFXBQG-UHFFFAOYSA-N 365.231 2.493 0 40 FEAB COc1ccccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19588338 CHJWBGKAVTVTHX-UHFFFAOYSA-N 366.465 2.493 0 40 FEAB COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c(OC)c1 3037298 OCAVEQJZVTUWRO-UHFFFAOYSA-N 373.438 2.489 0 40 FEAB Cc1ccc2c(CN3C(=O)c4ccccc4S3(=O)=O)cc(=O)oc2c1 4846604 PXNRXCYDOJJDMK-UHFFFAOYSA-N 355.371 2.446 0 40 FEAB C[C@@H]1CN(C(C)(C)CNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C[C@@H](C)O1 21065132 WJLJEUKXKXQXCI-DNLWUEFJSA-N 350.503 2.386 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 23457929 JPCZCGOCFFGOIB-UHFFFAOYSA-N 357.410 2.221 0 40 FEAB CSc1ccccc1NC(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056224664 OUKQQEOOCJZHRZ-GJZGRUSLSA-N 371.466 2.320 0 40 FEAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)c3ccnc(F)c3)C2)C1 2056224752 TZRNLQHUZGXQPT-FQEVSTJZSA-N 371.460 2.473 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940704 QARWFAAJWQSQSP-GFCCVEGCSA-N 358.419 2.421 0 40 FEAB Cc1ncsc1CN1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771835 DISDAYKXUZQJOM-SFHVURJKSA-N 359.499 2.166 0 40 FEAB Cc1cnn(-c2cccc(N3CCN(c4cc(C)nc5ccnn45)CC3)n2)c1 2298084948 KIJMXJXNCCWKER-UHFFFAOYSA-N 374.452 2.253 0 40 FEAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3ccc(C)cc3)CC2=O)c1 5221959 QYAFJPGROLPVCM-AWEZNQCLSA-N 360.435 2.087 0 40 FEAB CCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1 40068863 KEXPGCLMHPZTJU-GFCCVEGCSA-N 359.517 2.261 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 40113313 SWXHGQMKGNAYKW-MRXNPFEDSA-N 369.396 2.318 0 40 FEAB CCOC(=O)NC(=O)COC(=O)c1cc2c(C)nn(CC(C)C)c2s1 40159050 PPETWOYRRNQNSF-UHFFFAOYSA-N 367.427 2.492 0 40 FEAB CCc1nn2c(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)nc2s1 31652812 IRVAVODOQCMPQK-UHFFFAOYSA-N 373.829 2.069 0 40 FEAB COc1ccc(CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 101168542 LCIFZKASHJLZJJ-JKSUJKDBSA-N 354.341 2.328 0 40 FEAB Cc1sc2nc(N(CCO)CCO)n3nc(-c4ccco4)nc3c2c1C 32073035 VMBWTIMWEZHWSE-UHFFFAOYSA-N 373.438 2.007 0 40 FEAB COc1cccc(NC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)c1 32123861 YECDWWFVNHRPLW-UHFFFAOYSA-N 369.377 2.061 0 40 FEAB biogenic COc1cc(C(=O)OCCO)ccc1OCC(=O)Nc1ccc(F)cc1 21712063 UNWJBIBXDAKWOS-UHFFFAOYSA-N 363.341 2.001 0 40 FEAB CCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 53350958 PFHGPKOAJXJQPQ-UHFFFAOYSA-N 367.449 2.444 0 40 FEAB Cn1ncc2c(N3CCN(C(=O)c4cccc5ccccc45)CC3)ncnc21 22416482 BHJQHOXBQCFGHJ-UHFFFAOYSA-N 372.432 2.479 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)C1(c2ccccc2)CCOCC1 42285649 HOWMOFMBUNSVRO-UHFFFAOYSA-N 364.405 2.454 0 40 FEAB CCCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O 12541135 VDQDYKNNYADPON-UHFFFAOYSA-N 367.453 2.465 0 40 FEAB CC(=O)Nc1ccccc1OCc1nnc2n(C)c(=O)c3ccccc3n12 12537999 FOFLYYJOWZSQGS-UHFFFAOYSA-N 363.377 2.119 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(C)c3)s2)cc1 105630366 HQBJAOWSJBPLEW-ZAORYEFMSA-N 351.427 2.246 0 40 FEAB COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCCN(C)C)cc1 4839341 HFUCEBNHQRHOKX-NBVRZTHBSA-N 371.437 2.127 0 40 FEAB COc1cccc(CN(C)C(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c1 55397831 UTYUXJHTJGVDFI-MRXNPFEDSA-N 371.359 2.227 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(Cl)ccc2F)cc1 7526991 LRFCYRPLBNZJAI-UHFFFAOYSA-N 373.789 2.362 0 40 FEAB COc1ccc([C@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 25619230 YSPGNMNBAGULJC-SFHVURJKSA-N 371.437 2.364 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)s1 56839197 UVJMZFCQKKAJCV-CYBMUJFWSA-N 369.443 2.021 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cc2ccccc2oc1=O 58196075 FXDHYNLHRGXACH-UHFFFAOYSA-N 351.362 2.277 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)c2cc3ccccc3oc2=O)n1 58178005 VQNLVJYBSBTFIC-UHFFFAOYSA-N 351.362 2.255 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1 10234833 VNKVGIPSBAPAFR-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB CCCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2107118 YQSVIOLXHVQCNK-HNNXBMFYSA-N 361.394 2.412 0 40 FEAB biogenic COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(C(=O)O)c1 58494946 FLHLTEBOLIRBTI-UHFFFAOYSA-N 351.355 2.284 0 40 FEAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)s1 10627204 NJOODDDTLKPZCV-UHFFFAOYSA-N 359.860 2.412 0 40 FEAB COc1ccccc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11114694 FYUZNQXNMGJROF-MRXNPFEDSA-N 374.462 2.327 0 40 FEAB COc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(OC)c1 12866195 CEVHFUMYIQYMPH-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB CC(C)Nc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N(C)C)n1 2445292 MBHNUNZCTNKBPT-UHFFFAOYSA-N 367.413 2.096 0 40 FEAB Cc1cc(O)n2nc(C3CCN(C(=O)C[C@@H](C)n4ccnc4)CC3)cc2n1 100137495 BFWDEFLRHLDYRX-CQSZACIVSA-N 368.441 2.297 0 40 FEAB COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(C)=O)CC1 3422319 DDDJVBCNNLPTTQ-ZZXKWVIFSA-N 367.243 2.162 0 40 FEAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccccc1)O2 102869233 VEBFNABZZQCFMM-SUMDDJOVSA-N 373.430 2.250 0 40 FEAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cc(F)cc(F)c1 25808952 GIJDFYGUUBGQFE-MRXNPFEDSA-N 373.359 2.457 0 40 FEAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1nc2ncccn2n1 2808477 SPHIKSPUAVZLBU-UHFFFAOYSA-N 371.763 2.414 0 40 FEAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)N1CC(=O)Nc2ccccc21 7172481 IJHMXPQXRJQLPQ-SNVBAGLBSA-N 357.439 2.158 0 40 FEAB O=C(Nn1c(S)nnc1[C@@H]1COc2ccccc2O1)c1ccccc1 26841012 HGKPMTQDJXWNKB-AWEZNQCLSA-N 354.391 2.463 0 40 FEAB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)s2)NC(=O)N[C@@H]1C 16049925 HANJLFNRMVMQEP-SSDOTTSWSA-N 358.803 2.077 0 40 FEAB COc1cc(Br)c(CCNC(=O)c2cnccn2)cc1OC 8328636 JRXJZQCNRNDLHV-UHFFFAOYSA-N 366.215 2.229 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc2[nH]nnc2c1 8395533 SYQCNUGBDREUBH-UHFFFAOYSA-N 373.800 2.331 0 40 FEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Oc1ccc(-n2cnnn2)cc1 96999614 COKXIIKRSMGYSZ-OAHLLOKOSA-N 373.413 2.357 0 40 FEAB Cn1cc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cn1 25309448 CTJXMNKGCUAEII-UHFFFAOYSA-N 360.373 2.469 0 40 FEAB CCn1nc(C)c(NC(=O)c2ccccc2Br)c1C(N)=O 72265460 WERCACPQWDZAGB-UHFFFAOYSA-N 351.204 2.325 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC(C(C)C)C(C)C)O2 38849204 CZBNXNNHDQQSMC-MRXNPFEDSA-N 368.499 2.319 0 40 FEAB O=C(c1ccncc1C(F)(F)F)N1CCn2c(nnc2-c2cccnc2)C1 507003631 VPDNMUUYNZJXHD-UHFFFAOYSA-N 374.326 2.410 0 40 FEAB CC(=O)N1CC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 70815368 OCQOSPAKJPVCBI-UHFFFAOYSA-N 356.253 2.120 0 40 FEAB CN1C[C@]23CCCC[C@]2(C1)CN(C(=O)c1cccc2c1oc(=O)n2C)C3 1514998961 DCCFEYMUDIYZBY-PMACEKPBSA-N 355.438 2.080 0 40 FEAB Cc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)co1 187579163 NUDFETVDWBOSET-UHFFFAOYSA-N 351.410 2.071 0 40 FEAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1cn(C)nc1C)CC2 566075215 ZANRDDJLDVQEID-INIZCTEOSA-N 359.426 2.320 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CO)C(=O)O)cc1 218501953 GXOFYNGKDGJTSU-SOLBZPMBSA-N 364.394 2.137 0 40 FEAB CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 72390971 CCCYDPWXCDEMCQ-KRWDZBQOSA-N 366.465 2.289 0 40 FEAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCc4nnn(C)c4C3)cc2)c1C 565279208 DAZJWDCZAITZQE-CQSZACIVSA-N 350.426 2.361 0 40 FEAB CC(=O)N1C[C@@H](NC(=O)c2cncnc2C(C)C)CC[C@H]1C(F)(F)F 583621128 AJASHLPKUZJCNJ-AAEUAGOBSA-N 358.364 2.272 0 40 FEAB Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCCO3)C2)s1 96207014 ATDQCFVPXCHIPS-DJIMGWMZSA-N 350.484 2.447 0 40 FEAB CN1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 96076179 CGHLHFPFXSFFBI-GOSISDBHSA-N 362.861 2.172 0 40 FEAB COC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242495366 GDGCIHOTFGMORB-NUJGCVRESA-N 364.394 2.483 0 40 FEAB Cc1nc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)cs1 248029843 LQINQTXUTOTQDF-CQSZACIVSA-N 368.466 2.427 0 40 FEAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cc2csc(C)n2)nc1 257284302 PCCRJVJKQZDSBH-QGZVFWFLSA-N 358.467 2.389 0 40 FEAB Cc1cccc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)n1 257235897 GZZYUJHERKJNTI-NRFANRHFSA-N 351.450 2.025 0 40 FEAB Cc1cc(C2(NC(=O)CCc3ccccc3C(=O)O)CCOCC2)on1 630305609 QOLFTMGEJYWRAT-UHFFFAOYSA-N 358.394 2.436 0 40 FEAB CCc1cc2c(N3CCN(CCc4cnccn4)CC3)ncnc2s1 631532974 HHWNADIBBCMCSI-UHFFFAOYSA-N 354.483 2.408 0 40 FEAB O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(Cl)c1O 632089719 LGAIKHRFLJTMKX-JTQLQIEISA-N 371.821 2.137 0 40 FEAB O=C(NCC(F)(F)c1ccc(F)cc1)N[C@H]1C[C@@H]2CCCCN2C1=O 661302286 RFVUGXJYJCTQDF-KBPBESRZSA-N 355.360 2.370 0 40 FEAB CC(C)(C(=O)O)C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 573004017 JUEFPUXGEIEFDG-LBPRGKRZSA-N 365.405 2.297 0 40 FEAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 55163257 UCRQWQARKHKVGY-ZDUSSCGKSA-N 363.483 2.482 0 40 FEAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 8103577 MZDFRZDVUALKPW-LCYFTJDESA-N 352.387 2.015 0 40 FEAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1 5045911 BSYTWPOHYDPHCU-UHFFFAOYSA-N 360.483 2.230 0 40 FEAB Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCOCC4)cc3C2=O)cc1 11566336 DXEMFMWKSYTAPX-UHFFFAOYSA-N 350.374 2.268 0 40 FEAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccnn1C)c1ccccc1O2 12086452 BPNPHRWDXZSTQP-FOIQADDNSA-N 368.437 2.055 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129490 QHOAAURZOPMMDK-HIFRSBDPSA-N 359.451 2.314 0 40 FEAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)c1ccccc1 12789006 UXONJWBETROGSI-GUYCJALGSA-N 353.374 2.363 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cccc(OC)c1 14032918 IQQUNMYHLKMBPU-CQSZACIVSA-N 359.451 2.168 0 40 FEAB COc1cccc(CN2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)c1 19239078 HNOFHBSHPPLVJG-UHFFFAOYSA-N 363.421 2.102 0 40 FEAB COCC(=O)NCCn1ncc(-c2ccc(Cl)cc2)c1-c1nccn1C 19291752 MQARCIMOQNTGKB-UHFFFAOYSA-N 373.844 2.367 0 40 FEAB CC(C)OCC(=O)N1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1 19765865 ICFUIXXTRYMPMG-UHFFFAOYSA-N 374.485 2.031 0 40 FEAB COc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1OC 11693585 HDZOPTJMCCKBTC-UHFFFAOYSA-N 356.488 2.103 0 40 FEAB O=C(Cn1cc(Br)ccc1=O)N1CCc2sccc2C1 22320112 IFMDLHWHXONVFE-UHFFFAOYSA-N 353.241 2.257 0 40 FEAB CCOc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC)ccc1OCC(C)C 5102986 BXPMDDGRTWJLIM-LBPRGKRZSA-N 366.414 2.121 0 40 FEAB Cc1nc(N2C[C@H](O)C[C@@H]2C(N)=O)c2c(-c3ccccc3)csc2n1 6940124 NYJKEKBTKCIVBI-TZMCWYRMSA-N 354.435 2.092 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7054315 PAQWAZWJRUHDPR-UHFFFAOYSA-N 373.434 2.338 0 40 FEAB CCN=c1nc(N2CCN(c3ccnc(C(F)(F)F)c3)CC2)cc[nH]1 1889119506 APPUXOQGNFWWQQ-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(c4ccnc(C(C)C)n4)CC3)nn2)n1 1889139856 PETFMKJZCMBGSI-UHFFFAOYSA-N 364.457 2.211 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)c(C)c1 4250379 AACMEIGAUNEZTH-UHFFFAOYSA-N 357.439 2.382 0 40 FEAB CC1(C)Cc2cccc(OCCCS(=O)(=O)NC[C@@H]3CCCO3)c2O1 12440591 MNEHRYUEEBDDQJ-HNNXBMFYSA-N 369.483 2.267 0 40 FEAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 23127764 OXZQOTDBPPNFSL-IBGZPJMESA-N 354.406 2.219 0 40 FEAB Cc1nc(N2CCC[C@H](C(=O)N3CCSCC3)C2)c2ccncc2n1 2086861065 CPJYAZFOYPUYQZ-AWEZNQCLSA-N 357.483 2.125 0 40 FEAB O=C(CSCc1ccccc1)N1CC[C@H](N2C(=O)CSC2=O)C1 217782446 HZGBEQPUWQTHGU-ZDUSSCGKSA-N 350.465 2.216 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(OCC(F)(F)F)C1 585365601 KWRUJNCUPSJXAM-UHFFFAOYSA-N 359.753 2.300 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 40090537 LBUOBZDANQRWHR-IAGOWNOFSA-N 374.481 2.248 0 40 FEAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H](C)c3cnn(C)c3C)ccc21 40087268 ZHMKNBFQCHDNKP-LLVKDONJSA-N 353.426 2.258 0 40 FEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2cccnc2)on1 40145283 JQJIQXKRRAVHID-UHFFFAOYSA-N 366.377 2.364 0 40 FEAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 51357111 GBJMIZDWEQXUSA-UHFFFAOYSA-N 355.346 2.456 0 40 FEAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F 20716207 VCPZWJCKYRGHQB-OAHLLOKOSA-N 366.780 2.032 0 40 FEAB CC(=O)c1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1C 32622323 JWKWENPZKXJGJI-UHFFFAOYSA-N 368.798 2.264 0 40 FEAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc2ccccc2[nH]1 32738289 MVBPLMAOEQFSSJ-IHRRRGAJSA-N 368.437 2.305 0 40 FEAB C[C@@H](NC(=O)NC(=O)COC(=O)c1cccc(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 103322457 GVFXYIGOTIRYLN-DVZHBHJUSA-N 360.410 2.200 0 40 FEAB Nc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccncc2)cc1 799735 LTHQGYGGSNVXSZ-OAHLLOKOSA-N 350.300 2.273 0 40 FEAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1 663367 QIARSOAQIVZRKQ-XDJHFCHBSA-N 366.417 2.325 0 40 FEAB O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccnc1 827422 KTCXRBVYJMPUAE-OAHLLOKOSA-N 351.284 2.397 0 40 FEAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c(OC)c1 6680258 OKQXBRZORXOHPN-UHFFFAOYSA-N 370.452 2.268 0 40 FEAB Cc1cccc(OCCN(C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 24771702 SMNCDECZFPWUSB-LBPRGKRZSA-N 361.364 2.082 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106529529 TUTJQOUDMUIHAH-VYDXJSESSA-N 352.500 2.150 0 40 FEAB CCCn1nc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)ccc1=O 25460221 HBOMNKKLDQYULV-UHFFFAOYSA-N 368.481 2.220 0 40 FEAB C[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccc2c(c1)OCO2 25588439 LIOQANIEWYSGFA-JTQLQIEISA-N 374.784 2.119 0 40 FEAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 12746751 KRBXWGFOXCRWSF-DYVFJYSZSA-N 353.374 2.016 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)N(C)c2ccccc2)c1=O 57477515 VQXUFYCULNSXPE-UHFFFAOYSA-N 351.406 2.236 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 12777846 QXXQBNNBTHXOPB-UHFFFAOYSA-N 359.332 2.440 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N(C)C 57568168 LIVCKKIFEKQNFL-SFHVURJKSA-N 366.469 2.093 0 40 FEAB CC[C@@H](C)NC(=O)COC(=O)c1ccccc1I 3391278 XNCJRPCUIQAYIO-SECBINFHSA-N 361.179 2.363 0 40 FEAB Cc1c(NC(=O)COC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3398807 KZRAKRYYMVLAMT-UHFFFAOYSA-N 365.389 2.280 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CCNC(=O)[C@H]1C[C@@H]1C 58292172 ZNFFGXZKPKHKPR-JSGCOSHPSA-N 366.845 2.004 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 10418783 UZRPGHBSHLGSNV-UHFFFAOYSA-N 351.255 2.147 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1 28084146 GLJDFLVGFUMGGB-BBRMVZONSA-N 366.462 2.215 0 40 FEAB CS(=O)(=O)Nc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1 10548060 XWMZLYQUSJYJTI-UHFFFAOYSA-N 356.407 2.496 0 40 FEAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(F)c1 12867570 ASOVTBKSOCBDPI-HNNXBMFYSA-N 366.414 2.047 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3cccc(NS(C)(=O)=O)c3)ccc21 28677334 BALLFQOJDSHQAU-UHFFFAOYSA-N 373.434 2.219 0 40 FEAB O=C(CCc1n[nH]c(=S)[nH]c1=O)Nc1ccc(OCC(F)(F)F)cc1 11332584 YVIGFOMFPBISCW-UHFFFAOYSA-N 374.344 2.340 0 40 FEAB CCN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 10009962 KBNAOONEFHPAPL-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB CCCNC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 13001721 HGNROFYYJOSAGI-UHFFFAOYSA-N 356.407 2.436 0 40 FEAB Cc1noc(C)c1CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 63123271 YQQLJVVRJNLKNH-UHFFFAOYSA-N 355.316 2.356 0 40 FEAB Cc1ccccc1-n1nnnc1SCc1nc2ccccc2c(=O)[nH]1 6017073 VONWWTQMKHBPFP-UHFFFAOYSA-N 350.407 2.500 0 40 FEAB O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCOCC1 28235968 ZNKVEYJFBQOJMA-UHFFFAOYSA-N 355.316 2.411 0 40 FEAB CCc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)N(C)C)cc1 14159663 XLYNYWXRWMLZJL-INIZCTEOSA-N 351.472 2.435 0 40 FEAB CC1=NN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@](C)(O)C1 4700105 QHGVBSVAFXSYFD-GHTZIAJQSA-N 365.433 2.344 0 40 FEAB CCOC(=O)N1CCN(C(=O)CNc2ccc(Br)cc2)CC1 7115616 UOCDPNCZIUEBJI-UHFFFAOYSA-N 370.247 2.162 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 7598763 POMKHKFOIDSXLP-CYBMUJFWSA-N 368.389 2.458 0 40 FEAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C 8007329 MWNIOUYPOVUMIC-UHFFFAOYSA-N 363.417 2.314 0 40 FEAB O=C(c1ccccc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897540 ULRRAAGVJUFWBF-MSOLQXFVSA-N 354.381 2.078 0 40 FEAB biogenic,in-vitro O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccccc1F 69982239 IPWLMGBTVLKFOG-UHFFFAOYSA-N 368.397 2.220 0 40 FEAB CC[C@]1(C)CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1 76067196 VCWKURNYKYSUBZ-QGZVFWFLSA-N 354.472 2.256 0 40 FEAB Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCCC[C@H]1c1ncccn1 1558181550 SMHMBZMGGFBSDY-HNNXBMFYSA-N 366.425 2.138 0 40 FEAB CC(C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325309 XVJIATBHISIOBR-LLVKDONJSA-N 353.469 2.109 0 40 FEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)Cn3cccn3)c12 36612077 BGQQHWNACGQMIR-LBPRGKRZSA-N 352.442 2.417 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524731023 HACNJXQQOGZAPA-NJAFHUGGSA-N 354.450 2.023 0 40 FEAB biogenic Cc1ccnn1C[C@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C 36616224 NRURZVCXFBWCPM-GFCCVEGCSA-N 352.442 2.417 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 72227007 FXQZQDPOHQFIAG-MRVPVSSYSA-N 358.213 2.354 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccc(-c2nc[nH]n2)c1 79485463 ULJHZQPRKSJYHH-UHFFFAOYSA-N 366.429 2.438 0 40 FEAB Cn1ncc(Br)c1-c1nn2c(-c3ccccn3)nnc2s1 72405691 DCPFCTHAARHHHR-UHFFFAOYSA-N 362.216 2.411 0 40 FEAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3ccccc3[nH]2)CC1 71768176 BZPBKCDKOJQQLA-UHFFFAOYSA-N 354.454 2.114 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1 224302570 URLULLYHOSEJNB-UHFFFAOYSA-N 362.455 2.039 0 40 FEAB COc1ccc(CNC(=O)N2CCC[C@H](Oc3cncc(OC)n3)C2)cc1 225501092 PFIIWUYUZXKBRY-INIZCTEOSA-N 372.425 2.247 0 40 FEAB COc1ccc([C@@H](CC(=O)N(C)c2ccccc2)NS(C)(=O)=O)cc1 225953783 PPZMGWMXUCOOMF-QGZVFWFLSA-N 362.451 2.339 0 40 FEAB CCSc1nnc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)s1 142590029 QSYRBCYFGVVSFV-UHFFFAOYSA-N 372.497 2.298 0 40 FEAB CCN1C[C@H]2CCN(C(=O)CCc3ccccc3C)CC[C@H]2S1(=O)=O 96145534 UUOWBMNGFZGBHW-QZTJIDSGSA-N 364.511 2.200 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2CC[S@@](=O)C[C@H](C)C2)s[nH]1 583485660 CAUDRUCZLXVNOT-XQHREBAHSA-N 370.525 2.229 0 40 FEAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3cccc(F)c3)CC2)C1 96106600 TUOIPEKPMIPPSN-QGZVFWFLSA-N 350.434 2.054 0 40 FEAB Cc1nnc(NC(=O)c2cc(F)ccc2N2CCN(C)CC2)n1C1CC1 585081551 IBIQRXFQXBKHSI-UHFFFAOYSA-N 358.421 2.065 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)CCC(=O)O)C2)cn1 257225908 FIHZMDYCMHJOLQ-CYBMUJFWSA-N 358.398 2.004 0 40 FEAB O=C1NCCN1c1ccc(Cl)c(NS(=O)(=O)C[C@H]2CCCCO2)c1 265964605 ZKTPEXUZQVGWIF-GFCCVEGCSA-N 373.862 2.180 0 40 FEAB CCn1nccc1C(=O)N1C[C@@H](NC(=O)CC(C)(C)C)[C@H](C(F)(F)F)C1 1775991778 MLIAPZFOICTQLU-VXGBXAGGSA-N 374.407 2.458 0 40 FEAB Cc1nc([C@@H]2CC[C@H](CNC(=O)c3cnccc3C(F)(F)F)O2)n[nH]1 1775957793 NRASBSWIBAOHAZ-SKDRFNHKSA-N 355.320 2.177 0 40 FEAB Cc1ccc(/C=C/S(=O)(=O)NCCn2ccnc2-c2ncccn2)cc1 96103923 RNFBHMALYKYTRQ-VGOFMYFVSA-N 369.450 2.239 0 40 FEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cc(O)nc(C)n2)C1 585277893 XKMQKLQOAIFNPN-LJQANCHMSA-N 357.410 2.191 0 40 FEAB Cc1cnc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)cn1 585105410 WFLOJAOYRAJXIE-INIZCTEOSA-N 370.478 2.405 0 40 FEAB COCCNC(=O)C[C@@H]1CN(CCc2ccccc2)Cc2cccn2C1 585099020 BQOSMKPWYUKOGC-LJQANCHMSA-N 355.482 2.315 0 40 FEAB CCc1cc(Sc2nnnn2C[C@H]2CCCO2)nc(-c2ccncc2)n1 78551103 JMHPGWXGFCXHQY-CQSZACIVSA-N 369.454 2.418 0 40 FEAB Cn1nccc1CCC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 548350907 LSKSVLSKYHDPGM-ZFWWWQNUSA-N 350.463 2.143 0 40 FEAB C[C@H]1CN(c2ccc(C(=O)Nc3cncc(N(C)C)c3)cn2)C[C@@H](C)O1 633863971 DZWKAHPQTTYFGO-OKILXGFUSA-N 355.442 2.409 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 143281476 DDWOAECQYPSHMZ-ZIAGYGMSSA-N 364.398 2.375 0 40 FEAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 5157797 KPKARCONNOSXEL-DCXXXQMHSA-N 353.418 2.454 0 40 FEAB c1coc(CN[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)c1 5433941 KQWXOONHHCKLJJ-CWLKWCNXSA-N 368.393 2.066 0 40 FEAB biogenic,in-vitro CCc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3occc3n12 12115473 KPGONCYAXIXWOI-GFCCVEGCSA-N 365.393 2.077 0 40 FEAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cc(C)no3)CC1)O2 12225760 SMCYSHSAOWOMIQ-UHFFFAOYSA-N 355.394 2.089 0 40 FEAB COc1cccc(CNC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1 12926587 VNEUHQYYDYFZDZ-GFCCVEGCSA-N 363.439 2.368 0 40 FEAB CC[C@@H](C(=O)NCc1ccncc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713385 OJZKXVMFLXCTOF-KRWDZBQOSA-N 361.467 2.251 0 40 FEAB Cc1nc(C2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)c2sccn12 19240796 DGJIGGGFJKHBPO-GFCCVEGCSA-N 358.471 2.338 0 40 FEAB CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n[nH]1 19451763 LCYSJRIPVXSDRX-UHFFFAOYSA-N 368.485 2.331 0 40 FEAB CC(=O)N1CCC[C@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 19765394 HHMQVGJMQCEXIM-KRWDZBQOSA-N 352.438 2.441 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@H]1CCCS1(=O)=O 629620424 VTXUTWASNOWACL-CQSZACIVSA-N 358.822 2.196 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586007 NSAPFTPCPJYHIU-XFQXTVEOSA-N 354.406 2.312 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)c1 9620630 LTZBOEIVGDVQQH-UHFFFAOYSA-N 353.470 2.430 0 40 FEAB Cc1noc([C@H]2CN(C(=O)NCc3ccc(Cl)s3)CCN2C)n1 582196781 SSVKVIGCLXMKHU-LLVKDONJSA-N 355.851 2.291 0 40 FEAB Cc1ccnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 1888865649 IATIJINRBASWDM-UHFFFAOYSA-N 351.410 2.223 0 40 FEAB O=C(CCc1ccccc1Br)N1CC(Nc2ncccn2)C1 238904657 RTFWWLUUGNIVRE-UHFFFAOYSA-N 361.243 2.495 0 40 FEAB COCC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 1142818964 MVNKQKYQNXEVDB-QGZVFWFLSA-N 365.817 2.062 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 4304786 NVIWDDZISZXZLP-UHFFFAOYSA-N 355.419 2.029 0 40 FEAB COc1ccc(CCNC2=CC(=O)N(c3ccccc3)C2=O)cc1OC 4625277 SCFSLZSMRTWZOP-UHFFFAOYSA-N 352.390 2.293 0 40 FEAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C(=O)NC1CCCCCC1 4850607 ATTCHZSIBKNQFD-UHFFFAOYSA-N 355.438 2.299 0 40 FEAB COc1cc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)ccn1 1775973787 TWNNOFADSQBOIW-UHFFFAOYSA-N 357.385 2.037 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 100220935 JDDJRVAFESPPHC-FZWBFHRNSA-N 364.445 2.076 0 40 FEAB O=C(Cn1cnc2ccccc21)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679596 CIWUBCPEGFOEJQ-UKRRQHHQSA-N 372.450 2.159 0 40 FEAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cc(F)ccc2F)cc1 77184807 OPNIZRFRINXRIB-KRWDZBQOSA-N 371.405 2.245 0 40 FEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC2CCCCC2)cc1 16310094 HEZNHSFBXKSWQQ-INIZCTEOSA-N 364.467 2.124 0 40 FEAB CNc1snc(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 30705707 ZQWMPAPMXWAXHH-HNNXBMFYSA-N 360.483 2.297 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](CN(C)C)c1ccccc1 32781278 JFKPHPMRZGMGTG-SFHVURJKSA-N 360.479 2.431 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)N(C)C)C3)CC2)c1 32913308 ACHZRVIRIJNREK-KRWDZBQOSA-N 358.486 2.037 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1cccs1 41795434 CIRGYUXJHVCZHN-CYBMUJFWSA-N 352.481 2.184 0 40 FEAB O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1nnc(-c2ccccn2)[nH]1 104314024 JTWHJQSNWXQSNC-UHFFFAOYSA-N 362.393 2.323 0 40 FEAB COc1cccc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(=O)oc12 3235289 KTNWUSXOLPFHPX-UHFFFAOYSA-N 351.318 2.224 0 40 FEAB CN(C(=O)CSc1nc(=O)n2cc(Cl)ccc2n1)c1ccccc1 4504291 HWJQZSVXHIARBE-UHFFFAOYSA-N 360.826 2.498 0 40 FEAB CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 55237045 UOUIENIJBJYGCP-UHFFFAOYSA-N 361.467 2.162 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)CCNC(=O)c1ccsc1)OCO2 25014097 WSRAPIPDGSFDSW-UHFFFAOYSA-N 360.391 2.438 0 40 FEAB CNC(=O)c1cccc(NC(=O)CNc2ccc(C)cc2C(=O)OC)c1 55865598 RUFMNGMADMRWRE-UHFFFAOYSA-N 355.394 2.192 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccsc1 25331532 SBQOAMMUDUSFKR-OAHLLOKOSA-N 367.496 2.152 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1noc2c1CCCC2 56259483 LCCQVDHERKJVNT-LLVKDONJSA-N 363.439 2.034 0 40 FEAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 3299050 SONULIVNGQXMMR-GFCCVEGCSA-N 373.331 2.490 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492332 BGHXDPAMWRSTGX-UHFFFAOYSA-N 371.462 2.357 0 40 FEAB CCOC1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 58003592 JARXFJNGQRSODV-UHFFFAOYSA-N 363.483 2.492 0 40 FEAB Cc1cc(NC(=O)Cn2ccc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 58071687 VMNDEBIBZPIZOY-HNNXBMFYSA-N 372.450 2.145 0 40 FEAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 58191358 PSHOLFHQANOAQR-IBGZPJMESA-N 373.359 2.048 0 40 FEAB CCN(C(=O)[C@@H](C)Oc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 9112414 OUYCRLNZOXKNHO-CHWSQXEVSA-N 357.497 2.211 0 40 FEAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 55750699 JYWRQMYIWPYIKP-UHFFFAOYSA-N 354.378 2.248 0 40 FEAB CC(C)N(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 11036674 HLBSFQYUJFQTNT-LJQANCHMSA-N 367.449 2.177 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 45456394 LLUFKOXXPTZWMP-UHFFFAOYSA-N 370.359 2.439 0 40 FEAB O=C(COC(=O)CCc1nc(C2CC2)no1)N[C@H]1CCOc2ccccc21 84578972 HFQMBFGUWSSBMN-AWEZNQCLSA-N 371.393 2.063 0 40 FEAB CCN(CC)CCOc1ccccc1NS(=O)(=O)c1cn(C)nc1C 57823201 AAICSKQCQBJEHD-UHFFFAOYSA-N 366.487 2.250 0 40 FEAB COc1ccc2cc(C(=O)Nc3nc(CC(N)=O)cs3)c(C)nc2c1 12878232 JEQLAPOSNGVIQX-UHFFFAOYSA-N 356.407 2.288 0 40 FEAB Oc1cccc([C@H]2c3c(-c4cccs4)nnc(O)c3Nc3nnnn32)c1 10297796 POWXZMNZQSAZDB-AWEZNQCLSA-N 365.378 2.298 0 40 FEAB CCN1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)sc2C1 12933993 HUVBUWIDHWJRBP-AWEZNQCLSA-N 357.435 2.241 0 40 FEAB CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 12997430 JFDVEAFZJPVXTM-UHFFFAOYSA-N 368.462 2.378 0 40 FEAB Cc1nc(-c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)no1 14135201 SHXGUJUFGPQCRK-UHFFFAOYSA-N 367.361 2.469 0 40 FEAB C[C@H]1CCc2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2C1 14199015 JNYPKSORVHYZBQ-SDDRHHMPSA-N 359.451 2.158 0 40 FEAB CNC(=O)C1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2C)CC1 14199815 RSDAJCUPWYNBDL-UHFFFAOYSA-N 352.500 2.439 0 40 FEAB CCCc1nc2sc3c(N(CCO)CCO)ncnc3c2c2c1CCC2 5478572 WAQUXFVHZHYDDG-UHFFFAOYSA-N 372.494 2.472 0 40 FEAB Cc1noc(CNC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)n1 66186899 JPGADQKAWHBYRG-UHFFFAOYSA-N 365.384 2.120 0 40 FEAB COc1cccc(CNC[C@@H](O)COc2ccc(C(C)=O)cc2OC)c1 6605262 QXVNBRVVDGNTKI-QGZVFWFLSA-N 359.422 2.436 0 40 FEAB COc1cccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)c1 5671092 RIFRFCWDLJMRNK-CQSZACIVSA-N 353.382 2.182 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn(Cc2ccccc2)c1 14934057 DISHHVFNPZYCSS-UHFFFAOYSA-N 373.416 2.440 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 4864470 ZYHLEKGWRBBQCB-MRXNPFEDSA-N 355.394 2.336 0 40 FEAB COc1ccc(CNC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 15190997 MWHAKYTWYHSTCH-UHFFFAOYSA-N 359.407 2.280 0 40 FEAB C[C@@H](NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 15842444 VXQIIOZZTWJGRE-CYBMUJFWSA-N 358.419 2.244 0 40 FEAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 15810807 LUQCUFFQKVNUHJ-HNNXBMFYSA-N 366.826 2.190 0 40 FEAB NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263571 QKIQRROAJMLEHX-LLVKDONJSA-N 357.797 2.431 0 40 FEAB Cc1cc2ncn(C[C@H](O)COc3cccc4c3NC(=O)CO4)c2cc1C 91557168 UPWOSHBYHUJJOH-AWEZNQCLSA-N 367.405 2.424 0 40 FEAB CC(C)(C)c1ccc(O)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 17361141 QSNTWPNAFRCUBP-UHFFFAOYSA-N 352.394 2.433 0 40 FEAB CCC[C@@H](C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 95946561 CZCSDTSTQYVSIC-OAHLLOKOSA-N 366.421 2.155 0 40 FEAB COC(=O)CCCNC(=O)c1nccnc1-c1nc2ccccc2s1 8735797 XJXRXZPYTJUXCI-UHFFFAOYSA-N 356.407 2.436 0 40 FEAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1Cl 97015169 ZVJCUGADHWFKHG-NSHDSACASA-N 374.825 2.030 0 40 FEAB O=C(c1noc(-c2cccnc2)n1)N(CCO)[C@H]1CCc2ccccc21 85354321 JTTZYOVASHZUPJ-INIZCTEOSA-N 350.378 2.254 0 40 FEAB O=C(O)C[C@@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C1CC1 95970303 DCDOXKXYLSTDAG-QGZVFWFLSA-N 358.438 2.476 0 40 FEAB CCN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1 95963756 IEQCTPZNSMASEN-GFCCVEGCSA-N 366.468 2.246 0 40 FEAB CC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N1CCCS1(=O)=O 89775850 LGYWSJUJCPNERZ-RDJZCZTQSA-N 352.500 2.184 0 40 FEAB Cc1cccc(N2CCN(CCCCNC(=O)c3ncccc3O)CC2)c1 508203440 HSWNJNGECWTTJR-UHFFFAOYSA-N 368.481 2.428 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCC2)Oc2ccccc21 38832582 CMANIBZMRRDIII-INIZCTEOSA-N 352.456 2.053 0 40 FEAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC(F)C1 542414018 RUNNCFSQAXGGRX-LBPRGKRZSA-N 361.295 2.054 0 40 FEAB O=C1CN(C(=O)c2cccc(CNc3ccncn3)c2)c2ccncc2N1 543532881 DKCAIJPPNYINDH-UHFFFAOYSA-N 360.377 2.083 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218590638 GZPIUKGUOFDJAC-XEZPLFJOSA-N 374.890 2.073 0 40 FEAB CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)s1 35291013 GSEJPARFPUZMGL-ZDUSSCGKSA-N 359.455 2.413 0 40 FEAB O=C(CN1C(=O)C2(CCCC2)N=C1O)Nc1nc2c(s1)CCCCC2 40034662 GHDVDEVIWVYPSJ-UHFFFAOYSA-N 362.455 2.420 0 40 FEAB O=C(NC1CCCC1)c1ccc2c(c1)CN(C(=O)CCO)[C@@H]2c1cnco1 96087089 IMFPKENJSVJMHV-IBGZPJMESA-N 369.421 2.161 0 40 FEAB Cc1ccc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)o1 96043084 IDLKIKVIUFSPAM-ZYSHUDEJSA-N 355.438 2.279 0 40 FEAB CN1CCC(N2C[C@H](OCc3nc4cc(F)ccc4[nH]3)[C@H](F)C2)CC1 96112223 UUWZANPCRJEWDX-PBHICJAKSA-N 350.413 2.335 0 40 FEAB biogenic,in-vitro COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cc1OC)C2 96039290 HKZJXSSTOLBPSG-MJGOQNOKSA-N 351.418 2.421 0 40 FEAB CS(=O)(=O)c1ccccc1CN1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O 333891943 HDRXJIJHNYDKSY-SNPRPXQTSA-N 362.451 2.185 0 40 FEAB COc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)C3(CCOCC3)C2)cc1 96240787 AAAIWLQSBZXREL-KRWDZBQOSA-N 360.454 2.089 0 40 FEAB CN(C)CC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1 248139235 SRLVCMMVVIOVLE-KRWDZBQOSA-N 356.470 2.262 0 40 FEAB Cc1cc([C@@H]2Cc3ccccc3C(=O)O2)ccc1OCC(=O)NCC(=O)O 256028161 XEAWSFFZGHKIKE-KRWDZBQOSA-N 369.373 2.029 0 40 FEAB CN1CCN(C(=O)c2cccnn2)C[C@H](Cc2cncc3ccccc23)C1 257279861 OIMGSJZRXGAPFL-MRXNPFEDSA-N 361.449 2.271 0 40 FEAB CCc1cc(CNC(=O)[C@@H]2CC(=O)N(CCOC)[C@H]2c2ccccc2)on1 257322655 WGWKFZBBFPCCAO-MJGOQNOKSA-N 371.437 2.089 0 40 FEAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CNC(C)=O)C3)o2)c1 257251525 JRCFVXXVEAOZCR-MRXNPFEDSA-N 371.437 2.116 0 40 FEAB Nc1nc(O)cc([C@H]2CCN(C(=O)C3(Cc4ccccc4F)CC3)C2)n1 630724370 UUMCAMCSIDZRBP-ZDUSSCGKSA-N 356.401 2.242 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(OC(C)C)cc1Cl 643937406 BSEORHQWCQHJEA-QGZVFWFLSA-N 354.834 2.234 0 40 FEAB COc1ccc(CC(=O)N2C[C@@H]3[C@@H]4COC[C@H]4[C@H]3C2)cc1OC(F)F 606445697 CITYWGHNLUQEFJ-XUXIUFHCSA-N 353.365 2.190 0 40 FEAB Cc1cnn([C@@H]2[C@@H](N[C@H](C)c3cccc(N4CCOCC4)c3)C[C@H]2O)c1 1775959527 DJMMZUVUOISKSG-XWPNQZOQSA-N 356.470 2.053 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)N[C@H](CO)c2cccc(F)c2)c1 604611399 ALJZCHWTNRBFOJ-OAHLLOKOSA-N 352.387 2.084 0 40 FEAB O=C(O)c1ccc(OC[C@@H](O)CN2CCOc3cc(F)ccc3C2)cc1 629375653 LHJLOKOLNMTDPB-INIZCTEOSA-N 361.369 2.158 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406086 VLTNXVSMBYUQMR-AEFFLSMTSA-N 366.417 2.224 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2cccnc2)no1 585094893 SPGIKVFTWMYNQJ-KRWDZBQOSA-N 353.426 2.255 0 40 FEAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)C1(F)CCC1)c1ccccc1 585108244 BZZJWWWUWQDKJK-YESZJQIVSA-N 360.429 2.315 0 40 FEAB CNC(=O)C[C@@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1 585099076 IFFHDDHRCAXKPY-MRXNPFEDSA-N 357.454 2.273 0 40 FEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccnc1O 585111314 OASXNLUZMDLJLB-QGZVFWFLSA-N 364.405 2.076 0 40 FEAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cccc(Cl)c1 585284775 ZWLCDLDBZHHYGT-HKUYNNGSSA-N 369.889 2.212 0 40 FEAB Cn1cc(CCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cn1 55444362 FZNHGWJVRWEPQF-UHFFFAOYSA-N 368.268 2.403 0 40 FEAB CN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 73679335 RMAFLLYILDQYIK-MRXNPFEDSA-N 352.390 2.291 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615155149 ICQZDMZGSVDMKU-IBGZPJMESA-N 358.369 2.375 0 40 FEAB Cn1cc(-c2cc(C(=O)NCCc3cnccn3)c3ccccc3n2)cn1 19290739 JUWFXAIOSNPBCF-UHFFFAOYSA-N 358.405 2.398 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCc3cc(=O)[nH]c(-c4ccncc4)n3)ccc2O1 19498004 GHAJNBKCYSYEQH-LBPRGKRZSA-N 362.389 2.085 0 40 FEAB O=C(O)CN1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643554965 PZZLMEMWVIQZRV-UHFFFAOYSA-N 374.481 2.465 0 40 FEAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 6818971 QNZZSLCWLSTLLZ-UHFFFAOYSA-N 363.439 2.071 0 40 FEAB O=C(c1cncnc1)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056224563 VKUPKNNIEDPSGE-HXUWFJFHSA-N 351.454 2.390 0 40 FEAB O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565556656 OZBTTWZMHRRASK-RCCFBDPRSA-N 353.422 2.202 0 40 FEAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)Cc3ccccc3)cc12 3911676 YUUKLFUMEVRBMJ-UHFFFAOYSA-N 366.417 2.447 0 40 FEAB CCOC(=O)CSCC(=O)Nc1nnc(-c2ccccc2OC)s1 4174432 IBSAGXOXGIJJNJ-UHFFFAOYSA-N 367.452 2.449 0 40 FEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCCO2 9701501 IQWSLDUWVVOCCL-UHFFFAOYSA-N 367.317 2.489 0 40 FEAB CCCC(=O)NCCOc1ccc2nnc(-c3cccc(OC)c3)n2n1 11693893 HROOIEYYNHWGKZ-UHFFFAOYSA-N 355.398 2.095 0 40 FEAB Cc1cccc(CC(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1 17122845 OFCOIHOKJNEDFS-UHFFFAOYSA-N 372.490 2.042 0 40 FEAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccc(F)cc1 2055738819 SMFVMIRAKNUCFH-CQSZACIVSA-N 357.385 2.337 0 40 FEAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 75171900 WEMPYTFOCORUIO-GFCCVEGCSA-N 351.302 2.190 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCn2c(C)nc3ccccc32)c1 40040355 PYBFPURQOVRKMO-UHFFFAOYSA-N 373.434 2.110 0 40 FEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1nnc2n1CCCCC2 40025738 BNFSVJCRLCGJER-CQSZACIVSA-N 371.466 2.124 0 40 FEAB Cc1cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)sc1C 30644180 UYIUBQMLWBUTTR-UHFFFAOYSA-N 359.499 2.097 0 40 FEAB CN(c1ccccc1)c1ccccc1NC(=O)COC(=O)[C@@H]1COCCO1 51111144 VWSNABBBKBQPAZ-SFHVURJKSA-N 370.405 2.352 0 40 FEAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 20726895 QPFYTXSOJNHARL-ZUZCIYMTSA-N 362.817 2.282 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102195352 ROIWDFYDDLDZKE-FZCLSBEQSA-N 372.465 2.209 0 40 FEAB COC(=O)C[C@@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1cccs1 32900782 OHZKGJBAUZNWGN-TZMCWYRMSA-N 374.418 2.258 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCc1nnc2n1CCCCC2 102880913 NPQWUJKCLCXEDN-AJHHTPGJSA-N 372.513 2.385 0 40 FEAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 682074 RLHDRZYQZLCWHJ-IZZDOVSWSA-N 373.192 2.458 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@@H](C)O1 54116729 WICOWVVKLDOVHW-HUUCEWRRSA-N 355.438 2.373 0 40 FEAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)nc4c3cnn4C)C2)n1 79858652 YAIQKNATTFKWHX-CQSZACIVSA-N 365.441 2.230 0 40 FEAB CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 3215640 ADDQJSIZTDUBSD-UHFFFAOYSA-N 373.478 2.265 0 40 FEAB O=C(O)CCc1nnc(SCc2ccc(Br)cc2)[nH]c1=O 4317175 LLVHUKMGVUTUGI-UHFFFAOYSA-N 370.228 2.237 0 40 FEAB COc1ccc(S(=O)(=O)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 107326806 FROOIWUPOHVXFR-AVGNSLFASA-N 353.440 2.335 0 40 FEAB COc1cccc(N2CCN(S(=O)(=O)N(C)[C@H](C)C3CC3)C[C@@H]2C)c1 107539899 USWYROPCIKYCOZ-LSDHHAIUSA-N 367.515 2.181 0 40 FEAB COc1cc(OC)c(OC)cc1/C=c1/sc2nc3ccccc3n2c1=O 51074814 GSGIBAYBCBPOGN-RQZCQDPDSA-N 368.414 2.483 0 40 FEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc2c(c1)OCO2 95458676 JVKFYYBDZBMRHL-HNNXBMFYSA-N 372.425 2.049 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)Cn1nnc2ccccc21)c1cccc(F)c1 48252942 QBWYREHRXBSRHN-SFHVURJKSA-N 364.384 2.210 0 40 FEAB Cc1cc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)nc(C(C)C)n1 48252006 AWAUFRGRGRBYRT-UHFFFAOYSA-N 354.458 2.471 0 40 FEAB O=C(Cc1ccccc1F)Nc1cccc(Cn2nc(O)ccc2=O)c1 48203866 MTXHYSZNZJFPDS-UHFFFAOYSA-N 353.353 2.318 0 40 FEAB COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1F 57909342 CYJSSJQIPRMSTQ-LLVKDONJSA-N 374.368 2.170 0 40 FEAB O=C(Cn1cc(NC(=O)c2ccc(OC(F)F)cc2)cn1)NC1CC1 57997176 XRMQYQXJHAIXPL-UHFFFAOYSA-N 350.325 2.015 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3CCCN(C(C)C)C3)cnc12 58175574 RNLPFOQLBJHDDD-KRWDZBQOSA-N 370.497 2.332 0 40 FEAB CCCNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2265366 YVLXJJPFNLPGOS-LBPRGKRZSA-N 353.426 2.486 0 40 FEAB C[C@@H]1CCCCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134241 LMUBFTFQUVPZMS-CYBMUJFWSA-N 374.466 2.021 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12883566 UIMWFMNYNMBLGB-UHFFFAOYSA-N 358.417 2.097 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108533784 DZMURXVQCFESRQ-INIZCTEOSA-N 353.426 2.138 0 40 FEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)cc1C 10795335 VLMAJQSHWIGHRE-CYBMUJFWSA-N 361.419 2.379 0 40 FEAB Cc1ccn2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)nc2c1 12110381 WIGSZNQLMFYDCZ-UHFFFAOYSA-N 370.434 2.435 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3c(C)nn(C)c3C)CC2=O)c(OC)c1 12982530 FKBUKVLVOHTMLS-ZDUSSCGKSA-N 372.425 2.046 0 40 FEAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC)CC 12949042 NTGVUGQLBADSLC-SWLSCSKDSA-N 351.472 2.008 0 40 FEAB CCCCn1c(SCC(=O)OCC)nc2cc(S(N)(=O)=O)ccc21 6167914 IVSQRGFONAVKHY-UHFFFAOYSA-N 371.484 2.139 0 40 FEAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H]1COc2ccccc2O1 6260947 UWLYUROOHAYOOW-OAHLLOKOSA-N 371.389 2.233 0 40 FEAB C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4cnccn4)c(O)n1c23 4327657 RTTHYTJMFPZLKQ-VIFPVBQESA-N 354.341 2.396 0 40 FEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1COc2ccccc2O1 5246305 NJDHCLJCCPCVCL-SFHVURJKSA-N 359.378 2.169 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12 4487847 MJFQMQCKFRMQEL-JGFGOLAASA-N 363.410 2.330 0 40 FEAB O=C1c2ccccc2C(=O)N1CCn1cnc2cc(Cl)ccc2c1=O 14183114 QOVPMVRILMRQAB-UHFFFAOYSA-N 353.765 2.346 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1C 15497338 HLCHIJPWAOCCNJ-UHFFFAOYSA-N 368.480 2.355 0 40 FEAB C[C@H]1C[C@H]1COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 67801252 NTAMBVVMVCSLQB-QWRGUYRKSA-N 361.510 2.298 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCC3)c(Cl)c2)C1=O 15858301 UAVTYNHTEWROBK-SNVBAGLBSA-N 370.858 2.325 0 40 FEAB COc1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1OC 20492562 PEJRZJGSWMLEEN-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)OCO3)c1C 7986460 DVYBRLPONGBZIK-UHFFFAOYSA-N 359.334 2.187 0 40 FEAB CCCCN(C(=O)CC1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O 7984056 VNWJPALOCHILTL-UHFFFAOYSA-N 350.463 2.242 0 40 FEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NC[C@@H]1CCCO1 8090114 JRWFEXUIEIWATP-HNNXBMFYSA-N 360.483 2.276 0 40 FEAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(N)=O 8344738 XYDJMNLVSHYWTN-GHMZBOCLSA-N 368.434 2.170 0 40 FEAB O=C(C1=COCCC1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 69791803 IFAZFVOQHYSQMH-UHFFFAOYSA-N 356.466 2.393 0 40 FEAB Cc1cc(OCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)no1 9690453 AMKVRFAQRYBSNC-UHFFFAOYSA-N 374.422 2.447 0 40 FEAB COC(=O)c1cc(CNS(=O)(=O)CC2CCCCC2)ccc1OC 72230481 NEMPRCJXACQHMK-UHFFFAOYSA-N 355.456 2.482 0 40 FEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)C1 84370559 DHIJXGMRXVKRMV-OAHLLOKOSA-N 373.497 2.267 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC1CCCCC1)O2 64988429 JVPRZNYXTKURJA-KRWDZBQOSA-N 366.483 2.361 0 40 FEAB CCc1cccc(CC)c1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182794 UAOJWHYLPWDHET-UHFFFAOYSA-N 354.457 2.422 0 40 FEAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cccc(F)c2)CC1 38349072 BMUFDHLEXHZYRB-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB CCC(CC)N1C[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CC1=O 567877996 YDLMAOPMJLFHNZ-NXHRZFHOSA-N 372.465 2.350 0 40 FEAB O=C(CC1CCCC1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380553 NJFLVLVDNRCJTK-INIZCTEOSA-N 374.485 2.168 0 40 FEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCC(C)C)s2)cc1 223171422 XUZQYBHMOYPDGQ-UHFFFAOYSA-N 354.457 2.033 0 40 FEAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1c(C)nn(C)c1C 225583111 NFVUSJXZAREBSH-UHFFFAOYSA-N 352.442 2.207 0 40 FEAB CC[C@@H](C(=O)NCc1nc(C)cc(N2CCOCC2)n1)c1ccccc1 224179275 ZAQMJSBGYKBJAP-QGZVFWFLSA-N 354.454 2.432 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)n1 225403330 OZJLIMWKXZANJH-HNNXBMFYSA-N 351.410 2.317 0 40 FEAB Cc1ccccc1[C@@H](O)[C@@](Cl)(I)S(C)(=O)=O 96520020 PJKNVAONEPAJCX-NXEZZACHSA-N 374.627 2.401 0 40 FEAB CCS(=O)(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)OC[C@H](CO)O1 96531794 CTRJYALJCLKXJQ-RBUKOAKNSA-N 362.447 2.349 0 40 FEAB CCc1cnc(N2CCO[C@@H]3CN(Cc4nccs4)CC[C@@H]3C2)nc1 96249774 JOQAEQNRJQRVFC-HZPDHXFCSA-N 359.499 2.223 0 40 FEAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)nc(C)n1 257249502 JIRKSVKSLMRTSC-OAHLLOKOSA-N 350.419 2.492 0 40 FEAB CN(CCc1ccccc1)[C@H]1[C@H](N)C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O 257207620 BIMXWJMXNAAHFG-LMCOJAPRSA-N 362.420 2.347 0 40 FEAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)CCc2cccnc2)C1 257261843 LIZLLRSVRYIULV-QGZVFWFLSA-N 353.470 2.352 0 40 FEAB CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2cncc(N(C)C)n2)o1 257234255 GSUXJZKCDJJXFP-AWEZNQCLSA-N 358.446 2.345 0 40 FEAB CCN(CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)C1 284899877 AIQIDNZHHMKDHC-AWEZNQCLSA-N 354.472 2.046 0 40 FEAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1Cl 551243514 OWKIHIDWVFGWPN-MRVPVSSYSA-N 368.636 2.340 0 40 FEAB CCOC(=O)[C@H](CO)NC(=O)COc1cc(Cl)c(Cl)cc1Cl 611863094 UDDHUAMVPRJHNC-JTQLQIEISA-N 370.616 2.066 0 40 FEAB COCC(=O)N1CCc2cc(NC(=O)c3ocnc3C(F)(F)F)ccc21 635820428 PADGTOPMUUOUII-UHFFFAOYSA-N 369.299 2.481 0 40 FEAB CCc1nc(CN2CCC[C@@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)no1 623603932 AQCXDIDIUJHIAS-LSDHHAIUSA-N 361.490 2.476 0 40 FEAB O=C1NCC[C@]1(c1nc(-c2ccc3nc(O)[nH]c3c2)no1)C1CCCC1 624521189 VYJYDFBOLSWCEG-SFHVURJKSA-N 353.382 2.266 0 40 FEAB Cc1cccc(-n2cnc3cc(C(=O)NC[C@H]4CN(C)CCO4)ccc32)c1 667605185 AKELHQKTGUUPOF-SFHVURJKSA-N 364.449 2.394 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H](C)N2CCc3ccccc32)C1 1775957167 GUXRQHLFPIMVRC-ISTRZQFTSA-N 356.426 2.118 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390832013 WQFCOFBMPIFMHK-AWEZNQCLSA-N 350.465 2.454 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@@H]12 585109412 NQKFTUHJBJTTMO-LMMKCTJWSA-N 370.474 2.223 0 40 FEAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc2)cc1 5809236 SRHWUWJVELODBW-NSHDSACASA-N 370.361 2.019 0 40 FEAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)CC1 13636638 HBKIQLFZSSQYKL-QGZVFWFLSA-N 358.438 2.156 0 40 FEAB Cc1cnc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)cn1 19238944 CRSLVWBCNIPXNA-WBVHZDCISA-N 360.421 2.303 0 40 FEAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 19577141 WYOJWIOSUVXPJT-LBPRGKRZSA-N 365.437 2.025 0 40 FEAB COc1ccc(CCNC(=O)NCc2nnnn2C2CCCCC2)cc1 10608665 JOWWLFLUSHAWKD-UHFFFAOYSA-N 358.446 2.229 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(Cl)cc1Cl 3605959 SNBBTZPQTGXCJA-UHFFFAOYSA-N 370.236 2.474 0 40 FEAB Cc1cc(C)c2ccc(N3CCC(NS(=O)(=O)C4CC4)CC3)nc2n1 1888882211 LTSLBTVMOOMHDO-UHFFFAOYSA-N 360.483 2.297 0 40 FEAB CN(C)[C@@H]1CCOC2(CCN(C(=O)Cc3noc4ccccc34)CC2)C1 1614940195 INGZGFIKRAEDEG-OAHLLOKOSA-N 357.454 2.472 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl 4188261 HSZNSVLYPJLCRF-OZVVPTBGSA-N 351.189 2.445 0 40 FEAB O=C(CSc1nc(=O)n2ccccc2n1)NCc1ccccc1Cl 4499797 IQWSMYWPHHCXLC-UHFFFAOYSA-N 360.826 2.151 0 40 FEAB CCN1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22031234 RUPVYMQJJNOVBW-CQSZACIVSA-N 361.446 2.362 0 40 FEAB O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc2c(c1)OCO2 575614662 AFILIYQNHGJUQH-UHFFFAOYSA-N 354.366 2.371 0 40 FEAB Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1Cl 17120848 TZWVNNKIJVJQRD-UHFFFAOYSA-N 370.844 2.479 0 40 FEAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CN1CCCC1=O 40157515 MCGDPLKLGPQRJA-GFCCVEGCSA-N 358.417 2.369 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 20851446 VJCWJHJJTALMAC-MRXNPFEDSA-N 361.401 2.225 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cn1ncsc1=S 32803792 OWWSPBOVVVQHOA-UHFFFAOYSA-N 370.525 2.335 0 40 FEAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CCS(=O)(=O)C1 32901010 CGMWFVFGOSLIFZ-LBPRGKRZSA-N 354.815 2.220 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 33163359 JIDWIIKDUGLODC-BBRMVZONSA-N 352.438 2.462 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)c1 12441560 GTJQUOBZNZKQKG-QGZVFWFLSA-N 363.435 2.466 0 40 FEAB CC(C)OCCCNC(=O)C1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 47769221 ACQFNTUMMBVCBH-INIZCTEOSA-N 367.534 2.077 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 7553606 AADYMTUXTHCQMP-OAHLLOKOSA-N 361.467 2.134 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1 102590062 TVMZMPNEKFCSHB-JDEPPNLYSA-N 356.809 2.332 0 40 FEAB CCOc1cc(CNc2nnnn2C)cc(Br)c1OCC 8253855 SWWWZJBQRJQJBP-UHFFFAOYSA-N 356.224 2.382 0 40 FEAB COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC(C)C 8475925 IQBQUSZTBQYCRP-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB Cn1c(CSC2=Nc3ccccc3CS2)nc2c1c(=O)[nH]c(=O)n2C 58157430 HXJONZSVAGBDMR-UHFFFAOYSA-N 373.463 2.128 0 40 FEAB COc1cccc(CC(=O)N2CCN(Cc3noc(CC(C)C)n3)CC2)c1 58215126 XYYNZGWCALDOFB-UHFFFAOYSA-N 372.469 2.164 0 40 FEAB O=C(O)c1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2147370 ONHACSZYTRSPKH-OCCSQVGLSA-N 353.378 2.198 0 40 FEAB biogenic CN(C(=O)CN1CCN(C(=O)c2cccc3ccccc23)CC1)C1CC1 58367629 CRZKGVXEXNEJHI-UHFFFAOYSA-N 351.450 2.218 0 40 FEAB CC(C)C(=O)N1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 36393220 QGDDZIWNXFMASN-IBGZPJMESA-N 363.477 2.439 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)Nc2cccc3nonc23)C1 103505998 GBYCFUIFOBXNKV-VXGBXAGGSA-N 367.434 2.201 0 40 FEAB COCCCn1cnnc1SCC(=O)NCCc1ccc(Cl)cc1 10830979 ZARYHFNEAFRVPL-UHFFFAOYSA-N 368.890 2.419 0 40 FEAB CC(C)n1ncc2cc(C(=O)Nc3cccc(-c4nnnn4C)c3)cnc21 11336818 YVBHXUFDELENHD-UHFFFAOYSA-N 362.397 2.455 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(F)ccc1F)C2=O 3457902 IKTZHBGSUJRUFR-UHFFFAOYSA-N 351.353 2.404 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C 29880460 NWCPKLWLZSOHKO-ABAIWWIYSA-N 352.818 2.007 0 40 FEAB COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 2663060 VUIKAMCYPBYCQG-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB CCCn1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)ccc1=O 47186213 GIYVNIPLPWVZFF-QGZVFWFLSA-N 367.449 2.288 0 40 FEAB Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 12932392 YHUPZLCDPFYWFB-GFCCVEGCSA-N 352.442 2.442 0 40 FEAB COc1ccc(CCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 13012053 JVRMWCAONJEANX-UHFFFAOYSA-N 351.406 2.072 0 40 FEAB CCN1CCc2c(sc3c2c(NCc2ccncc2)nc2nnnn23)C1 13207036 ZOSUZBQYMRWQNF-UHFFFAOYSA-N 366.454 2.119 0 40 FEAB Cc1cc(CN2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1 306124126 BGTFTZHJKLTFMI-OAHLLOKOSA-N 353.430 2.104 0 40 FEAB Cc1cnc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)s1 13683340 KUVPQCINABSEJS-UHFFFAOYSA-N 356.407 2.125 0 40 FEAB NC(=O)CCN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 65609853 XOCXEYPDHBONCX-UHFFFAOYSA-N 366.421 2.493 0 40 FEAB Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 65608116 QLNDXJLIGBNQFB-MSOLQXFVSA-N 359.470 2.072 0 40 FEAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CC1 5427292 PTAGJYNAWYTPFZ-KRWDZBQOSA-N 355.438 2.215 0 40 FEAB O=C(CCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633571 VHIAAEQWYVIFIT-UHFFFAOYSA-N 374.462 2.279 0 40 FEAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 96231120 IBSUGIRAPBKHAU-LLVKDONJSA-N 354.391 2.030 0 40 FEAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)N1CC(=O)Nc2ccccc21 7172480 IJHMXPQXRJQLPQ-JTQLQIEISA-N 357.439 2.158 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1Cc2ccccc2O1 15581242 JCOJGBJWEBTVLS-KRWDZBQOSA-N 360.435 2.188 0 40 FEAB C[C@H](c1ccccc1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 15596435 ICFJCDRRDSWMJW-CQSZACIVSA-N 371.462 2.335 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)[C@H]1COc2ccc(Cl)cc2C1 15571601 XEWJCNLYFRWWFL-GFCCVEGCSA-N 355.781 2.371 0 40 FEAB C[C@@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3C)o2)cc1 7541006 LKOOUOPFVQXGNT-GFCCVEGCSA-N 359.455 2.405 0 40 FEAB O=C(COC(=O)c1cc(Br)ccc1F)NC[C@@H]1CCCO1 7690608 ZYXPPQICPLZAOJ-JTQLQIEISA-N 360.179 2.040 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8026794 AWNIQXDYWHQPTG-CQSZACIVSA-N 352.431 2.015 0 40 FEAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208033 HDZXHLCTLYXLKP-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB CN(C)C(=O)[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 17728285 KIAQBXBBFNXHRL-MRXNPFEDSA-N 361.419 2.076 0 40 FEAB CSc1nnc(C(C)(C)C)c(=O)n1NCC(=O)Nc1ccccc1C 27546544 FKONPJKIRASMSB-UHFFFAOYSA-N 361.471 2.148 0 40 FEAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccccn2)CC1 19141779 ILXKODNPKNUFAN-UHFFFAOYSA-N 353.451 2.399 0 40 FEAB NC(=O)N1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 92753974 LTEJEYRDWVZSSI-MRXNPFEDSA-N 367.877 2.484 0 40 FEAB CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@H]1c1ncon1 95995321 ZWMQERCWKSMOEE-LBPRGKRZSA-N 353.325 2.160 0 40 FEAB CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCn1cccn1 75110775 URHCOYROPPPKOL-UHFFFAOYSA-N 355.847 2.150 0 40 FEAB C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nncn1C 75110017 JMJPUYWATSCLKX-JHJVBQTASA-N 366.466 2.011 0 40 FEAB CC[C@@H](C)n1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C1CC1 89845527 MXXUWBKCSBZAJP-GFCCVEGCSA-N 355.442 2.024 0 40 FEAB Cc1cccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1O 75572685 PZGUPZSDOMGEPM-UHFFFAOYSA-N 353.466 2.378 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 28223292 UDGQYCUXYXKGQQ-VIFPVBQESA-N 368.352 2.455 0 40 FEAB O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306132627 LOBCSSATWOCYEZ-TZIWHRDSSA-N 367.449 2.282 0 40 FEAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)COC2)c1ccsc1 547866361 HPSMOYKOGSPRBW-CQSZACIVSA-N 353.421 2.273 0 40 FEAB Cc1nnnn1-c1cc(NC(=O)N[C@@H](CO)c2ccc(F)cc2)ccc1F 515326660 KOFUHOCVSFZHHW-HNNXBMFYSA-N 374.351 2.104 0 40 FEAB COc1ccc(CCNC(=O)Nc2ccc3nnnc(O)c3c2)cc1OC 524734183 GIXRDWCJPXXVAE-UHFFFAOYSA-N 369.381 2.112 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 36633944 YKNMGHPFYVQIRA-GOSISDBHSA-N 353.397 2.280 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)C2(CO)CO)cc1 218455628 LYOPLRMOXKFYNR-DLBZAZTESA-N 350.411 2.045 0 40 FEAB CCN(c1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224353015 GVDVGBWFYPOWRM-UHFFFAOYSA-N 374.462 2.374 0 40 FEAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-n1cnnc1 222729062 MXZBAWOIGXHADD-HZPDHXFCSA-N 353.455 2.005 0 40 FEAB C[C@@H]1CN(CC(=O)Nc2nccs2)CCN1c1nc2ccccc2o1 533408647 FCVOWPFBBAVZEK-GFCCVEGCSA-N 357.439 2.434 0 40 FEAB COc1ccc2c(ccn2CCC(=O)/N=c2\[nH]nc([C@@H]3CCCO3)[nH]2)c1 95480952 ICLCQPUXOQLUPY-HNNXBMFYSA-N 355.398 2.070 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96047316 JAHTVHINIWPQTD-UHFFFAOYSA-N 365.437 2.030 0 40 FEAB Cc1oncc1C(=O)N1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 96160916 SECVVFUVWCBKOX-DNVCBOLYSA-N 357.410 2.468 0 40 FEAB COc1ncccc1CN1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96206864 GAPVURSLXZXSHM-XLIONFOSSA-N 355.438 2.150 0 40 FEAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)o1 96051304 FWIYOZKQQHHLRK-HXUWFJFHSA-N 374.412 2.362 0 40 FEAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(Cc1ccccc1F)C2 247967077 GQEJWTOMLJINRW-INIZCTEOSA-N 364.461 2.302 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]4C=C[C@H]3O4)nn2c1O 247951178 KLKSFMQPWISPJW-NQZOLGFYSA-N 368.437 2.313 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 248115423 AVTRDGZHIMWYOV-SFHVURJKSA-N 354.454 2.461 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)CCC(=O)O)C2)ncn1 257306441 SUHGHNQMQDDILJ-AWEZNQCLSA-N 372.425 2.394 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 257226108 FJENGAQMDMVFCW-CYBMUJFWSA-N 356.430 2.141 0 40 FEAB CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)c(O)c1 257291532 QHJPWLKMOWNYQG-KBAYOESNSA-N 350.459 2.239 0 40 FEAB CN1CCC[C@](C)(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260838507 SHSUDQGOXLRRGD-CYBMUJFWSA-N 366.361 2.338 0 40 FEAB COc1ccc([C@H](NC(=O)c2cc(C)nc3c2c(C)nn3C)C(=O)O)cc1 262087440 FLIPSDGZXVXSEQ-INIZCTEOSA-N 368.393 2.149 0 40 FEAB Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccccc2O1 283575969 KEISEJSDJKSNMZ-ZRGWGRIASA-N 351.406 2.407 0 40 FEAB COC(=O)C1(c2ccc(S(=O)(=O)Nc3cnc(C4CC4)nc3)cc2)CC1 611443235 NLBBHUVIBFKQMI-UHFFFAOYSA-N 373.434 2.359 0 40 FEAB C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)OCCO2 32747866 TXORJJFJWIIDEM-GFCCVEGCSA-N 355.394 2.117 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)NC(=O)c2cccn2C)CC1 35355424 FIAXNJOMYFAGKI-UHFFFAOYSA-N 374.872 2.066 0 40 FEAB CC[C@H](C)NC(=O)CCNC(=O)c1cc(OC)ccc1Br 38068626 RJKBCJUQELGMGE-JTQLQIEISA-N 357.248 2.492 0 40 FEAB Cc1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 585188746 NUMVVJNYGHFJQP-CQSZACIVSA-N 359.451 2.292 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 8105453 SXNVHDDPGOOVRJ-VQHVLOKHSA-N 368.389 2.443 0 40 FEAB O=C(NCc1cccc(F)c1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000175 ZFOWSYJYWSSKJF-SJORKVTESA-N 357.385 2.109 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12144928 KPKGWJGNICNRAX-WMZOPIPTSA-N 371.412 2.219 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCCC3 12154130 YJYXECMRQBHJIH-HNNXBMFYSA-N 366.425 2.025 0 40 FEAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)[C@H]1CCCO1 12222437 FCVOYGWKGRMAFX-GOSISDBHSA-N 367.453 2.276 0 40 FEAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc2[nH]c(=O)[nH]c2c1 12804605 MUMZDAVMLFWSBW-UHFFFAOYSA-N 361.741 2.011 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)[C@@H](C)c1ccccc1)C2=O 15523744 KINFNAGDIUBNPA-CHWWFWEZSA-N 372.469 2.211 0 40 FEAB O=c1cc(CCn2ncc3c2CCCC3)nc(NCCc2ccncc2)[nH]1 19405109 OCWFMMPHUWDIMS-UHFFFAOYSA-N 364.453 2.138 0 40 FEAB CNc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)ccn1 19662497 GWYAQRHZBZDBNS-UHFFFAOYSA-N 362.455 2.371 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C(C)C)nc(N(C)C)c2C1 19711581 GKGIZNTWJWGOFR-KRWDZBQOSA-N 373.501 2.157 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)n2nccc2C)cc1S(=O)(=O)NC(C)C 19716732 NYYNJFBBOVEAHM-CQSZACIVSA-N 364.471 2.386 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCC3(N(C)C)CCCC3)C2)c1 19750278 HTUBVZBQRWDJQQ-KRWDZBQOSA-N 373.497 2.148 0 40 FEAB Cn1ncc(C(F)(F)F)c1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 665914750 TYQKFSJDYUAMBA-NSHDSACASA-N 373.356 2.087 0 40 FEAB O=S1(=O)CC[C@@H](CN2CCC(COc3ccncc3Cl)CC2)C1 1849823640 FOSSRNCLUBXIOJ-AWEZNQCLSA-N 358.891 2.261 0 40 FEAB Cc1noc(C)c1CC(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888878950 LWJNVRFGVBMZLH-KUHUBIRLSA-N 374.416 2.471 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)nc(O)c1F 1888908429 PDBWFQCMJOOYDD-CHWSQXEVSA-N 366.400 2.146 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4cc(F)ccc34)C[C@H]2C(=O)N1c1ccccc1 1888930488 XIHZUEAEGPNFCC-HZPDHXFCSA-N 362.364 2.395 0 40 FEAB COc1cc(C)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 23683238 WWPMTFTUFPTOOO-SJKOYZFVSA-N 350.440 2.405 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1ccc(I)cc1 6650621 DDQWPOQKTNRFAX-UHFFFAOYSA-N 374.203 2.462 0 40 FEAB O=C(Cn1cc(Cl)cn1)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565555455 IDSZUGDBPHBSPW-UHFFFAOYSA-N 374.876 2.236 0 40 FEAB NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12 2964418 UWGWVYMVNWKSSC-HNNXBMFYSA-N 364.430 2.106 0 40 FEAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1nccs1 4327765 VRPJDOYQYPHYFP-UHFFFAOYSA-N 369.435 2.374 0 40 FEAB O=C(Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)N1CCOCC1 13849008 NAJMAJRSNZNJNU-UHFFFAOYSA-N 374.462 2.030 0 40 FEAB COCCN1CCO[C@@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@@H]21 2055745519 GJZVJKWHWQOPSO-XPQDNOAISA-N 350.484 2.100 0 40 FEAB CCOc1ccc(Oc2ccc(NC(=O)CNS(C)(=O)=O)cc2)cc1 40158595 OBBHMFIRCLLTSP-UHFFFAOYSA-N 364.423 2.365 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@H]1CS[C@]2(C)CSCC(=O)N12 40146500 GWXIDWHMQNNDTB-RHSMWYFYSA-N 350.509 2.442 0 40 FEAB CCOC(=O)c1sc2ncn(N3Cc4ccccc4C3=N)c(=O)c2c1C 101050914 ISQMEXSGNKKYGG-UHFFFAOYSA-N 368.418 2.420 0 40 FEAB CC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O 20589699 UUTDSVGUCMMWKZ-INIZCTEOSA-N 365.311 2.463 0 40 FEAB COc1cccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)c1 32090698 KOFJNSXSRMQZCQ-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB COC(=O)CNC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 20745875 NHIBGMBZAAQFSL-UHFFFAOYSA-N 361.394 2.023 0 40 FEAB biogenic O=C1CN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cn2)CCN1 32519748 ZIANUXFHGRLINS-UHFFFAOYSA-N 364.327 2.289 0 40 FEAB C[C@@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)Nc1ccccc1 21590855 HCTWSWLPHZVWKJ-CQSZACIVSA-N 355.394 2.102 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1c[nH]c2ccccc2c1=O 32967090 MGSZKMZARHLNMP-INIZCTEOSA-N 368.414 2.177 0 40 FEAB C[C@H]1CN(CCNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 42032176 REQYTZNHUVWWIT-KBPBESRZSA-N 363.483 2.038 0 40 FEAB C[C@]1(NC(=O)CCc2cccc(Br)c2)CCS(=O)(=O)C1 73061441 SIDYPVRSAFDHDD-AWEZNQCLSA-N 360.273 2.075 0 40 FEAB COc1ccc(CNC(=O)CCc2c(C)nn3cnnc3c2C)cc1OC 71286265 OSOLKWICEXKCRI-UHFFFAOYSA-N 369.425 2.007 0 40 FEAB O=C(NCCCOC[C@@H]1CCCO1)Nc1nnc(-c2ccccn2)s1 47790023 NQLCGUJSTZYFPB-LBPRGKRZSA-N 363.443 2.307 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)NCc2ccc(F)cc2)C1 100216036 WHOURFSYHKBHBU-GJZGRUSLSA-N 357.454 2.481 0 40 FEAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298421 UYRCHTYFXSTMNQ-MCIONIFRSA-N 374.514 2.381 0 40 FEAB biogenic,in-vitro COCc1ccc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44246224 UMBQBQHZKLBELN-UHFFFAOYSA-N 352.398 2.439 0 40 FEAB O=C(COC(=O)C1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1O 58080555 PQNFIQXMSGYTTO-UHFFFAOYSA-N 372.377 2.019 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)cc2oc1=O 2140317 ZCIDYZZHHPNOOS-HNNXBMFYSA-N 361.394 2.404 0 40 FEAB biogenic CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1 57670229 PVRVWQGJNMJCTJ-RDJZCZTQSA-N 374.464 2.265 0 40 FEAB COCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 2343193 YMLXXJKKFPDOAH-JTQLQIEISA-N 359.455 2.230 0 40 FEAB O=C1C(=O)N(CN2CCc3ccccc3C2)C(=O)N1Cc1cccs1 23731995 PGLQYRKAQHAWLV-UHFFFAOYSA-N 355.419 2.055 0 40 FEAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCOC 11118204 MLIFCUIDPDPNCA-UHFFFAOYSA-N 374.462 2.187 0 40 FEAB CCC1=C(C(=O)OC)[C@H](c2ccc(Br)cc2)n2nnnc2N1 45895954 XUJAMPKZULDUKM-LBPRGKRZSA-N 364.203 2.288 0 40 FEAB O=C(Cc1noc(CN2CCc3ccccc3C2)n1)NCc1ccccc1 48303366 GMARADORBYIJNL-UHFFFAOYSA-N 362.433 2.487 0 40 FEAB CN(C)CCn1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)n1 95458242 RCXIRESFWFKPOX-UHFFFAOYSA-N 356.474 2.326 0 40 FEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 2637549 SZRNOICEQZJYME-NRFANRHFSA-N 363.417 2.039 0 40 FEAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100187737 VIYGZWZQNVZGJZ-OZTPJHRESA-N 373.714 2.164 0 40 FEAB CCCN(C(=O)Cc1coc2cc(OC)ccc12)[C@@H]1CCS(=O)(=O)C1 3416722 IAYSBTLZXPOZAA-CQSZACIVSA-N 365.451 2.410 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccccc1Cl 3484685 YYUNWCXFPJPLDO-UHFFFAOYSA-N 364.760 2.391 0 40 FEAB CS(=O)(=O)CCSCc1cc2c(cc1Br)OCCO2 48842366 PICFGPCFTSZKIZ-UHFFFAOYSA-N 367.286 2.498 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)cc1 4047063 DYARLRSVTDNABY-FXAWDEMLSA-N 364.401 2.471 0 40 FEAB biogenic CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5260369 VZFRRBBLOKCKIA-UHFFFAOYSA-N 371.528 2.265 0 40 FEAB COc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1OC 6374801 GFLHTTBQKPHPRS-UHFFFAOYSA-N 372.377 2.458 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(F)cc3)C2=O)cc1 14123564 OJMGNKOOORIUIS-UZLBHIALSA-N 372.396 2.341 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(-n4cnnn4)cc3)c2c1 72402423 VVVLTYHGMNQJTN-UHFFFAOYSA-N 362.393 2.125 0 40 FEAB C[C@@H]1CCC[C@H](NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C 6586279 VMFGFLCXPLOUOF-CPUCHLNUSA-N 367.515 2.290 0 40 FEAB COc1ccc(F)cc1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl 6542437 PPJINHPPJNNEDC-UHFFFAOYSA-N 373.789 2.492 0 40 FEAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(c2ccccc2)C1=O 409013101 MIOAMNVUBYHHHE-RVDMUPIBSA-N 352.346 2.336 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 7087826 KJUSTBDILCVBCC-QGZVFWFLSA-N 353.369 2.037 0 40 FEAB CN(C)CCNC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 9576163 BBVGSZXAKXDHQG-UKTHLTGXSA-N 367.858 2.054 0 40 FEAB C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@@H](c2ccccc2)O1 67828915 YUTGNHKYNQAUEL-KDOFPFPSSA-N 354.406 2.153 0 40 FEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 7736842 VEUPKHQBGJBABI-BBATYDOGSA-N 374.466 2.393 0 40 FEAB O=c1[nH]c(CSc2nnnn2Cc2cccs2)nc2ccccc12 8013246 MYAAGMPSMHYVHO-UHFFFAOYSA-N 356.436 2.312 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 8341409 CDQHPAQTMKDKCA-GOSISDBHSA-N 372.421 2.226 0 40 FEAB COc1ccccc1C(C)(C)NC(=O)Cn1nc(O)c2ccccc2c1=O 97001073 AUUOHSPWURBRAV-UHFFFAOYSA-N 367.405 2.162 0 40 FEAB Cc1ccc(C(=O)N(C)CC[C@H](C)O)cc1S(=O)(=O)N1CCCCC1 75092856 WRIVUUCBFOKVBI-HNNXBMFYSA-N 368.499 2.013 0 40 FEAB O=C(Nc1nncc(-c2ccccc2)n1)N[C@H]1CCCCC12OCCO2 89851272 SBLYGBYRUMDVPC-HNNXBMFYSA-N 355.398 2.346 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1F 37498754 DSLJZNKBVTYNNW-ZDUSSCGKSA-N 355.207 2.471 0 40 FEAB O=C1CCN[C@H](c2cc(Br)c(O)c(Br)c2)N1 408736844 JCGKHUGOBONNNS-JTQLQIEISA-N 350.010 2.025 0 40 FEAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(C)=O)n1 72391864 KSDFPHVPOCINGW-MRXNPFEDSA-N 367.453 2.013 0 40 FEAB Cc1nn2c(CNc3ccc(C(=O)N[C@H](C)CO)cc3)c(C)nc2s1 551450342 DHFWFZZHKQLYDF-SNVBAGLBSA-N 359.455 2.130 0 40 FEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccn(COc2ccccc2)n1 71195562 BPANOHCNLPOSGE-INIZCTEOSA-N 351.410 2.461 0 40 FEAB O=C(/C=C/c1cccs1)N1CCCc2cnc(N3CCOCC3)nc21 675008250 LWYZLMJEHMTDCC-AATRIKPKSA-N 356.451 2.367 0 40 FEAB C[C@H](C(=O)NCCOc1ccc(F)cc1)n1nc(-c2ccco2)ccc1=O 70655588 HAIXCEDTAXQGEL-CYBMUJFWSA-N 371.368 2.399 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1noc(C)n1 35538800 LHGZTFBSRMMFIT-UHFFFAOYSA-N 351.428 2.474 0 40 FEAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CO)C(=O)O)cc1 218401371 DSHNHVNKAHUZPF-SCTDSRPQSA-N 360.431 2.306 0 40 FEAB Cc1nc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCO3)c2nc1C 222286538 XRUCNPHQWDMCQX-KRWDZBQOSA-N 364.453 2.350 0 40 FEAB CNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776094 ZNKXYKSIYXDNKQ-UHFFFAOYSA-N 362.451 2.184 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(c2nc(-c3cnccn3)no2)C1 49485384 DGQLVQWOAIWEJG-UHFFFAOYSA-N 355.785 2.349 0 40 FEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 222916971 AMKCELWTPXIQHQ-OAHLLOKOSA-N 358.413 2.410 0 40 FEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCC(C)C)s2)c1 223118000 SWEUJJJNPCJEGC-UHFFFAOYSA-N 354.457 2.033 0 40 FEAB COc1cccc(OCC(=O)NCc2nc(-c3cccc(OC)c3)no2)c1 222794877 WWVLCDNKIDLKOU-UHFFFAOYSA-N 369.377 2.449 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1 225641010 HGGZDLDROXOFBG-UHFFFAOYSA-N 362.383 2.212 0 40 FEAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 96042839 KAVQVIZSVGXKCO-BMGDILEWSA-N 357.479 2.439 0 40 FEAB CCc1oc(C(=O)N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc1C 578765547 GFUHVSGKNGJWHU-CQSZACIVSA-N 353.426 2.828 0 40 FEAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@H]2C1 96156988 KOZCDSDKHFBQME-ZWOKBUDYSA-N 364.401 2.462 0 40 FEAB CCN1CCC(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)CC1 249700836 YAYRYQRUOMSNDP-GOSISDBHSA-N 373.497 2.200 0 40 FEAB COc1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cn1 524734288 QKQSAYHMLCURTH-UHFFFAOYSA-N 358.427 2.382 0 40 FEAB Nc1n[nH]c2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12 257344715 ZYKBQFJNGUDUHQ-LBPRGKRZSA-N 357.439 2.108 0 40 FEAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cnc(C)nc2C2CC2)C1 626552192 KNBCSFUGPUFCOU-HLLBOEOZSA-N 359.474 2.426 0 40 FEAB C[C@H](C(=O)Nc1ccc(NCc2cnc3n2CCC3)cc1)n1cncn1 657405122 BUJWCMKIKAIOSK-CYBMUJFWSA-N 351.414 2.233 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cnc(N(C)C)nc3)C2)c1 585276576 NMHQLCJTAJDCMN-FQEVSTJZSA-N 356.470 2.257 0 40 FEAB Cc1ccc(OCC(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)cc1 85468259 JDZBJOPSPXUFPG-SFHVURJKSA-N 359.514 2.248 0 40 FEAB COc1ccccc1NS(=O)(=O)c1cccc(Nc2ncnc(N)n2)c1 5729346 JTLXGPKPNKWARD-UHFFFAOYSA-N 372.410 2.007 0 40 FEAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(F)c(Cl)c1 11385114 WOMKTRCPKVSHIB-UHFFFAOYSA-N 356.781 2.363 0 40 FEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nccs1 11610944 YXBXCUXXABIIFF-UHFFFAOYSA-N 356.333 2.398 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)cc2)n(C)c1=O 12647854 FIDSZFVUODPMRQ-CYBMUJFWSA-N 353.426 2.013 0 40 FEAB O=C(NCCc1ccccc1)[C@H]1C=CCN1S(=O)(=O)c1ccccc1F 13565354 RFLZHMXDLSPOSU-QGZVFWFLSA-N 374.437 2.114 0 40 FEAB COC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16040194 HWGSIQVTOVKMIE-UONOGXRCSA-N 367.405 2.286 0 40 FEAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN(CC(=O)NCc3ccco3)C2)on1 19121573 UHTNIDBCAPVFRW-CQSZACIVSA-N 369.425 2.462 0 40 FEAB c1cc2c(cc1CN1CCc3nc([C@@H]4CCCN4)ncc3C1)OCCO2 19345797 JVEBQPLPEUYRLB-KRWDZBQOSA-N 352.438 2.231 0 40 FEAB Cc1cc(C)n(CC(=O)NCc2nnc(-c3nccc4ccccc34)o2)n1 19573508 DPGBLDQVCNFTKS-UHFFFAOYSA-N 362.393 2.415 0 40 FEAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931236 VDGIGMRYNHZRRY-QGZVFWFLSA-N 360.479 2.247 0 40 FEAB CCc1nnc(S/C(=C\c2ccc(OCC#N)c(OC)c2)C(=O)O)[nH]1 7342478 AZILDIQNHGVZMS-LCYFTJDESA-N 360.395 2.496 0 40 FEAB CC(C)OC[C@@H]1CN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)CCO1 547783533 KXPARNPUDGGHHS-HNNXBMFYSA-N 360.458 2.293 0 40 FEAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)NC3CCCC3)c2=O)n1 12117416 JWVIGZUQBNOMAA-UHFFFAOYSA-N 367.409 2.056 0 40 FEAB NS(=O)(=O)c1ccsc1C(=O)OCCOc1ccc(Cl)cc1 10932779 MBPYJAHYYSHTGD-UHFFFAOYSA-N 361.828 2.285 0 40 FEAB CCN=c1[nH]c([C@@H]2CCCN2C(=O)c2cnc(C)cn2)c2sccn12 2037838655 UPLTVAUDNFGAMI-ZDUSSCGKSA-N 356.455 2.325 0 40 FEAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCOCC2)C1 2037845904 NEWUNVJFGGGTOY-LBPRGKRZSA-N 360.483 2.361 0 40 FEAB COc1ccccc1/C=C/C(=O)NCCn1cnc2ccsc2c1=O 253474730 JSZOKBAJHYBYGW-VOTSOKGWSA-N 355.419 2.296 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1OC 4568990 WUWQXWRXVXQUGB-UHFFFAOYSA-N 351.380 2.132 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850597 BUWSKPUQYGLJGQ-UHFFFAOYSA-N 367.449 2.467 0 40 FEAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C)n2CCOC 101335302 DKXOLKIWYHRDHN-HTXNQAPBSA-N 360.439 2.223 0 40 FEAB Cc1nnc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)o1 38575681 SGCIGPSSOGJUDY-UHFFFAOYSA-N 363.424 2.007 0 40 FEAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382511 KFTSHBPELVAEMA-HUUCEWRRSA-N 368.389 2.096 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147934 IROFMGJJOWSJNJ-INIZCTEOSA-N 370.430 2.474 0 40 FEAB COCCn1nc(C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1=O 30057877 CNIOGGJDKVWVAO-UHFFFAOYSA-N 351.790 2.112 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 32820942 PSJLBMUIADRVSA-QGZVFWFLSA-N 350.378 2.302 0 40 FEAB COc1cccc(CNn2nnnc2N)c1OCc1ccccc1Cl 677949 PEFAGIPXKWPWCL-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC)cc2)cc1 3541466 XTPNVEUZSLHCEM-UHFFFAOYSA-N 357.410 2.213 0 40 FEAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccco1 3622814 DPLOAKHNWCFIHN-HNNXBMFYSA-N 367.283 2.020 0 40 FEAB O=c1c(=O)n(-c2ccc(Br)cc2)ccn1Cc1ccncc1 4303832 ZTPUAJOBYUPFKA-UHFFFAOYSA-N 358.195 2.205 0 40 FEAB O=C(/C=C/c1cc(Br)ccc1F)OCC(=O)N1CCCC1=O 5363496 XOLXPOIBGBNNRA-ZZXKWVIFSA-N 370.174 2.294 0 40 FEAB COc1ccc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)cc1OC 7390377 IFDTZMNYFJQQDP-UHFFFAOYSA-N 367.405 2.039 0 40 FEAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9644109 FLJDIHHLPOQSLL-VIFPVBQESA-N 373.442 2.077 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)CC1 9902819 KOCDPNCMNJFGST-SFHVURJKSA-N 360.454 2.244 0 40 FEAB CC(C)Cn1c2c(=O)nc(O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10964129 NHGCKHLXGUFXNY-UHFFFAOYSA-N 372.816 2.460 0 40 FEAB COc1ccc2cc(CN(C)[C@@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 12118279 CINJZHJLZXTQLN-SFHVURJKSA-N 364.467 2.261 0 40 FEAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)NCCN1CCCC1=O 12187239 NDQKXNVMJZTBDI-UHFFFAOYSA-N 368.359 2.184 0 40 FEAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 12917116 SOFAVTHWZREDKM-CYBMUJFWSA-N 353.382 2.467 0 40 FEAB Cc1cccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 13039848 GVPPAPZWAYOCCH-UHFFFAOYSA-N 372.469 2.386 0 40 FEAB CN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccccc1 13041712 OZZLGSKUCBOUBG-IBGZPJMESA-N 369.446 2.495 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267467 WAJQSOCNDGUIML-MRXNPFEDSA-N 367.449 2.106 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)n(C)c1 14015169 RXIIHDCKKHZTGD-UHFFFAOYSA-N 363.483 2.294 0 40 FEAB CCOC(=O)c1sc(NC(=O)c2cccc(-n3cnnn3)c2)cc1C 14129248 ZBMKSQMJZHWXQM-UHFFFAOYSA-N 357.395 2.461 0 40 FEAB COC(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1 14137283 WZAZKGIQCKNSQW-UHFFFAOYSA-N 372.764 2.295 0 40 FEAB COc1ccc2cc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)ccc2c1 14198135 KBIQPZWYHPGMJO-OKILXGFUSA-N 364.467 2.292 0 40 FEAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 16637345 OAPCWJGZYJRVJV-CQSZACIVSA-N 356.488 2.319 0 40 FEAB COc1ccc(Cn2cc(F)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 16844483 GXYGWQHJJWACMQ-UHFFFAOYSA-N 370.380 2.263 0 40 FEAB in-vitro Cc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19209490 GUNWCTGUTRIGEX-QGZVFWFLSA-N 350.466 2.379 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 19211453 JVJTWNKANGTUIX-SFHVURJKSA-N 372.494 2.299 0 40 FEAB COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19551088 PTNILEQSECJZRU-KRWDZBQOSA-N 368.437 2.117 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 19709520 LJUTUATWFNDQOR-GOSISDBHSA-N 353.470 2.062 0 40 FEAB O=c1cc(CN2CCC3(CC2)OCCO3)c2cc(Cl)c(O)cc2o1 20572892 HTMZDGDKGMERGJ-UHFFFAOYSA-N 351.786 2.491 0 40 FEAB biogenic O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 21865943 PXSQPAMTIHNWQU-RMKNXTFCSA-N 374.444 2.394 0 40 FEAB Cc1ccc(CCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Cl 22695210 BVRMGEUVUKKWSJ-UHFFFAOYSA-N 363.889 2.004 0 40 FEAB Cc1cnc2c(c1NCCc1c[nH]c3ccccc13)c(=O)n(C)c(=O)n2C 22767694 RGIYVJRHAANBQL-UHFFFAOYSA-N 363.421 2.077 0 40 FEAB COc1ncccc1CNC(=O)NCc1ccc(Cn2cccn2)cc1 26384131 IRXFZUYLPQPKGO-UHFFFAOYSA-N 351.410 2.334 0 40 FEAB O=C(CN1CCCCCC1=O)Nc1cccc(OCC(=O)N2CCCC2)c1 27445598 SQMIIVBBUVLFMS-UHFFFAOYSA-N 373.453 2.029 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1 30948411 KWHOFCOSXGYSPH-UHFFFAOYSA-N 361.348 2.035 0 40 FEAB COc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)c1 32069587 CEKMMBCQDWEFGE-AWEZNQCLSA-N 366.425 2.296 0 40 FEAB COc1ccc(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124309 NQSZCRUPNDLGAV-KRWDZBQOSA-N 367.405 2.492 0 40 FEAB biogenic CN(C)[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(F)c1 32728679 HQOXOWXRQVSNRW-KRWDZBQOSA-N 364.442 2.262 0 40 FEAB CN(CCOc1cccc(Cl)c1)C(=O)c1cnc2n(c1=O)CCS2 32788281 GFZFVWOJTXMUEV-UHFFFAOYSA-N 365.842 2.153 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 32901321 YQDQPUSIHTVFEN-QWHCGFSZSA-N 369.446 2.091 0 40 FEAB CSc1nc2ncn(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)c2s1 33020795 HITLKQJLVYPBIG-UHFFFAOYSA-N 374.447 2.416 0 40 FEAB O=C(Cc1noc(C(=O)NCc2ccco2)n1)Nc1ccc(F)cc1F 36352789 MDHGRPPKMDCZBA-UHFFFAOYSA-N 362.292 2.052 0 40 FEAB COc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1NC(C)=O 36391690 CHBSCDUEWWSXEL-UHFFFAOYSA-N 361.442 2.487 0 40 FEAB Cc1nc2n(c(=O)c1C)CN(CCO)CN2c1cccc(C(F)(F)F)c1 38830007 IWHNAZJBHGILGO-UHFFFAOYSA-N 368.359 2.240 0 40 FEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)NC)ccc2C)C1 40133282 UFEOAUUCHWQCCJ-MRXNPFEDSA-N 374.485 2.467 0 40 FEAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C 40151490 QNFSMZZVIRJDKU-UHFFFAOYSA-N 351.399 2.498 0 40 FEAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-n2cnnn2)ccc1Cl 43746873 BCZKYLBFKNXXNI-GUYCJALGSA-N 374.876 2.310 0 40 FEAB biogenic C[C@@H]1CN(C(C)(C)CNC(=O)COCCOc2ccccc2)C[C@@H](C)O1 49624094 GCHRXUOBZDKYJC-IAGOWNOFSA-N 364.486 2.086 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(OC)c1 56026878 NWALHCYSYFNYLJ-OAHLLOKOSA-N 358.438 2.345 0 40 FEAB COc1ccc(CN2C(=O)[C@H](n3cnnn3)[C@H]2c2ccccc2)cc1OC 58166646 HIDKAHLZLFHAHY-QZTJIDSGSA-N 365.393 2.015 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 58222728 HMPGQFGYCBEJDQ-UHFFFAOYSA-N 366.389 2.336 0 40 FEAB COc1ccccc1CNC(=O)[C@@H](C)Cn1nc(-c2ccco2)ccc1=O 61984063 NQRZXFHNJHGOMZ-AWEZNQCLSA-N 367.405 2.464 0 40 FEAB Cc1cc2nc(SCC(=O)NCc3ccccc3F)n(C)c(=O)c2[nH]1 67299386 KIGCSGZKTAFXEF-UHFFFAOYSA-N 360.414 2.118 0 40 FEAB CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O 70708383 HYRPLPZQZOSPPF-CRKWUFKYSA-N 361.526 2.280 0 40 FEAB biogenic C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(O)c1 71328791 YPPYIBMDMGLHQE-OAHLLOKOSA-N 368.437 2.251 0 40 FEAB CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)CN(Cc1ccccc1)CC2 72347594 BNLZIKHSSNPZHD-KRWDZBQOSA-N 367.497 2.062 0 40 FEAB O=C(c1cc[nH]n1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72355194 SRRZMCLLXXSKPK-INIZCTEOSA-N 362.437 2.021 0 40 FEAB CCc1nc(C)sc1C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 72402389 LSJIGXNUVDUHNR-NSHDSACASA-N 368.484 2.131 0 40 FEAB C[C@@H]1COC[C@@H](C)N1CN1C(=O)C(=O)c2cc(Br)ccc21 72422402 ADDSAHPSEUENCH-NXEZZACHSA-N 353.216 2.045 0 40 FEAB Cc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Br 76101981 UDDGNRUGDZKQQM-SNVBAGLBSA-N 361.261 2.314 0 40 FEAB O=C1CCCc2cc(C(=O)NCc3nc(-c4ccco4)n[nH]3)ccc2N1 84432909 HIJWFJVDUFQOHH-UHFFFAOYSA-N 351.366 2.270 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccccc2n1-c1ccccc1 84572835 IBXJWQXRGJWDDK-DYVFJYSZSA-N 367.430 2.175 0 40 FEAB C[C@@H]1COC2(CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)CC2)O1 84715311 XXNWWTXBLYEZCQ-MRXNPFEDSA-N 368.433 2.264 0 40 FEAB CC(C)[C@@H](C(=O)Nc1ccc(N(C)CCO)cc1)N1C[C@H](C)O[C@H](C)C1 95451236 NGGIZWGYZOFUBO-FCEWJHQRSA-N 363.502 2.187 0 40 FEAB O=C(C1CCOCC1)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96057096 OFPPFJBRBAHLOF-YLJYHZDGSA-N 360.454 2.285 0 40 FEAB CC(C)n1c(C(=O)NCc2ccncc2)nc2c1CCN(C(=O)C1CC1)C2 96147118 MBTQQPPJSSFXED-UHFFFAOYSA-N 367.453 2.084 0 40 FEAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(Cc2c(C)noc2C)C1 96244393 XMWISXAHEYURRB-IBGZPJMESA-N 357.458 2.130 0 40 FEAB CC(C)Nc1nc(N2CCOCC2)nc2c1CN(Cc1ccncc1)CC2 96254278 OIZAXKQBTFVWHJ-UHFFFAOYSA-N 368.485 2.087 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2cccnc2)C1 97082826 AJAMVIUHAJIDJE-LBPRGKRZSA-N 373.356 2.337 0 40 FEAB CCN1C[C@]2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2 97952824 NCKZCYKZJJOWNW-NRFANRHFSA-N 370.497 2.485 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cc(C)no4)C3)cc2n1 100138233 IWZIDEZZKHQBER-GFCCVEGCSA-N 355.398 2.314 0 40 FEAB CC(=O)N1C(=S)NC(=O)/C1=C/c1cc2ccc(C)cc2nc1N(C)C 100717832 RMGUPSBGOQRNHN-DHDCSXOGSA-N 354.435 2.213 0 40 FEAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OC(F)F 101722431 GLGNXRXMVKJLPK-SECBINFHSA-N 353.321 2.490 0 40 FEAB Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 177205573 VVBCJHREMGDCAX-WOJBJXKFSA-N 368.481 2.084 0 40 FEAB CC(C)Nc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217643988 PTJZBQVSXCFPGN-UHFFFAOYSA-N 358.460 2.299 0 40 FEAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1N1C(=O)CCC1=O 223517960 KCAGPMULOYWGKP-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB NC(=O)c1ccc(OCc2cccnc2)c(I)c1 226321213 WBGRNZAGBDCFLD-UHFFFAOYSA-N 354.147 2.364 0 40 FEAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 247865054 AINOKARUQDIYPO-GOSISDBHSA-N 372.444 2.253 0 40 FEAB COc1cc(N2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)ncn1 247918242 WWCUGJLKNOYOIO-LPHOPBHVSA-N 356.426 2.335 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]1CO 249104373 QFEMXDKKMKVSGJ-QWQRMKEZSA-N 367.440 2.342 0 40 FEAB O=C(COCc1ccccc1)NCC1CCN(c2ncc(F)cn2)CC1 252494560 NYOWEWXSHXCLST-UHFFFAOYSA-N 358.417 2.165 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)n1 257204915 AWWDHRNGDZKNEH-INIZCTEOSA-N 350.422 2.369 0 40 FEAB CCn1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccc4ccncc43)CC2)cn1 257219226 DGCARADJVNXYRZ-WMZOPIPTSA-N 353.426 2.091 0 40 FEAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc4ncccn34)n2)CC1 257335488 YKIHEHSJYJGOMN-OAHLLOKOSA-N 350.426 2.377 0 40 FEAB Cc1cc(CN2CCn3cc(C(=O)NCc4cccnc4)nc3[C@H]2C)no1 306134594 NSUYFTDNBXFWPD-CQSZACIVSA-N 366.425 2.081 0 40 FEAB Cc1nc2ccccc2n1C1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 525983896 SJIDECNMCUVJLT-SXBQZSJRSA-N 360.483 2.212 0 40 FEAB Cc1ccc(OCCCCNC(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)cc1 555757274 FQIXLWXEACCYMP-DOTOQJQBSA-N 364.442 2.333 0 40 FEAB CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 558718916 ODRWGKDZGOXMLX-MRXNPFEDSA-N 362.437 2.009 0 40 FEAB C[C@H](CN1CCOCC1)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 573526363 BFYDAOUDNCUBIH-MRXNPFEDSA-N 370.497 2.312 0 40 FEAB O=C(NC1CC1)[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 575405121 RDJFUJKFUSNDIZ-YXSDIZSPSA-N 368.481 2.261 0 40 FEAB O=S(=O)(c1cccnc1)N1CCN(Cc2ccccc2C2CC2)CC1 584908318 VWQABDQWXZXNPP-UHFFFAOYSA-N 357.479 2.466 0 40 FEAB CCOC[C@@H]1CCn2cncc2CN1C(=O)c1cccc2c1OCCO2 585097782 PRTGKONOXBRAER-AWEZNQCLSA-N 357.410 2.106 0 40 FEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccnc1O 585111313 OASXNLUZMDLJLB-KRWDZBQOSA-N 364.405 2.076 0 40 FEAB CC(=O)N1CC[C@@H](NC[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 622017161 DBJNKFAFJUXULQ-IAGOWNOFSA-N 351.450 2.366 0 40 FEAB O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)[C@H]1CCCN(CC(F)(F)F)C1 629265400 RDUKQSLLGINCLA-KCQAQPDRSA-N 374.407 2.268 0 40 FEAB Cn1cnc(C(=O)N(CCC(=O)O)Cc2cccc(Br)c2)c1 630191039 QWOODXLGRDDJHG-UHFFFAOYSA-N 366.215 2.300 0 40 FEAB CCOc1cc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)ccc1C 633327198 ZQMIBPKLQJEROS-KRWDZBQOSA-N 370.453 2.162 0 40 FEAB Cc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1 685942262 JGYMARPKHSMBRG-UNEWFSDZSA-N 354.410 2.298 0 40 FEAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)CO1 1565553258 QRYIUNRBKRUGFH-APWZRJJASA-N 363.502 2.450 0 40 FEAB Cn1cc(-c2ccc3c(c2)[C@]2(CCN(C(=O)CC4(O)CCC4)C2)CO3)cn1 1565555021 OBPFRUGLGJQNJQ-FQEVSTJZSA-N 367.449 2.255 0 40 FEAB CCN1C(=O)C[C@H](C(=O)Nc2cnn(C3CCC3)c2)[C@H]1c1nccn1CC 1615548881 PMIAZBQZQVTENM-RDJZCZTQSA-N 370.457 2.373 0 40 FEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)nn1 1888856484 CGXDLBUCOJAZHS-GJZGRUSLSA-N 351.454 2.378 0 40 FEAB Cc1nc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)c2ccncc2n1 2086865245 ZWLWSHMYAULJLO-KBPBESRZSA-N 350.401 2.440 0 40 FEAB Clc1ccccc1-c1ncnn1CN1CCN(c2ncccn2)CC1 54422200 NLXZJZCCCUAQEJ-UHFFFAOYSA-N 355.833 2.168 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1 796717 MVSPVPCXKDPSEM-OAHLLOKOSA-N 368.499 2.258 0 40 FEAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 79061075 SLUMEGCLZFRKHM-LBPRGKRZSA-N 367.345 2.205 0 40 FEAB COc1ccccc1-c1nc(NC(=O)CCC2CCN(C(C)=O)CC2)n[nH]1 79702445 DLJGPUQWJDTLBA-UHFFFAOYSA-N 371.441 2.458 0 40 FEAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2)nc1C 4411672 QACPVIZBGFNSKJ-UHFFFAOYSA-N 356.425 2.438 0 40 FEAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505277 YPGYRMKGKXVNRV-OAHLLOKOSA-N 353.465 2.038 0 40 FEAB CN(Cc1cccs1)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 34859783 FFVWXYPULGOCNO-UHFFFAOYSA-N 357.479 2.165 0 40 FEAB COc1ccc(CCN(C)S(=O)(=O)c2c(C)noc2C)cc1OC 7378026 WHXPHJAZIGORJJ-UHFFFAOYSA-N 354.428 2.172 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)cn1 57127527 BMVARYDEUYPGAR-IYBDPMFKSA-N 370.501 2.353 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(F)c1 101274320 OQABSZHGTYXZJJ-GOSISDBHSA-N 371.387 2.419 0 40 FEAB CCN1C[C@@H](CN(C)C(=O)[C@@H](C)NC(=O)c2ccoc2)Oc2ccccc21 58154004 LOMMSZABWXPZJS-GDBMZVCRSA-N 371.437 2.144 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(Cc2nnc(C3CC3)o2)CC1 58296270 DUSQAJXIDIIBFX-UHFFFAOYSA-N 360.845 2.487 0 40 FEAB COc1ccc(CNC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 2133827 QLXLSBQEBNAKMO-HOTGVXAUSA-N 353.422 2.186 0 40 FEAB C[C@H](NC(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccccc1 45133198 IWSUPJFPDGHFFD-KRWDZBQOSA-N 368.485 2.049 0 40 FEAB Cc1nc(C)c(C(=O)N2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)o1 100119355 HMUJNPGRFCLLOC-ZIAGYGMSSA-N 364.405 2.231 0 40 FEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@H]2C(=O)NCc2cccnc2)C1 107264574 HPQGHCAISJOVNV-VAMGGRTRSA-N 351.450 2.296 0 40 FEAB Cc1cc(C)c2c(c1)[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)CCO2 58230974 NTTGDTCIAUVOSB-MRXNPFEDSA-N 360.435 2.204 0 40 FEAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 101658022 HTGHOHDJSZAEOI-YBEGLDIGSA-N 351.362 2.232 0 40 FEAB COc1ccccc1CNC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2 100128470 NQAAWPWFIRCDSB-IRXDYDNUSA-N 370.449 2.419 0 40 FEAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)nc1 12606602 UQKKGSMQPILIFK-UHFFFAOYSA-N 353.831 2.351 0 40 FEAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 12749536 NSGWJPOFDYYXNA-UHFFFAOYSA-N 366.468 2.356 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CC)nnc12 3376361 QXFHXUVWWZLLME-LBPRGKRZSA-N 373.482 2.461 0 40 FEAB Cc1nc(-c2cc(C(=O)NCC(=O)NCc3ccco3)n(C)c2)cs1 9154568 DHIIQTIASQKARJ-UHFFFAOYSA-N 358.423 2.096 0 40 FEAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Cl)cc1 12896618 VKHDZPDENSIASQ-UHFFFAOYSA-N 369.808 2.350 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 3461597 BQOWZMXWQHABNU-HXUWFJFHSA-N 351.406 2.078 0 40 FEAB CCSc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 3546309 WOSDPJLCNXGHIU-UHFFFAOYSA-N 358.470 2.361 0 40 FEAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](CCSC)C(=O)O)n2C 4000276 ZIRGEXFYDBRREA-NSHDSACASA-N 366.439 2.132 0 40 FEAB biogenic CC(C)CC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO1)n2C 13729371 PYULEIMBENRMFJ-MRXNPFEDSA-N 358.442 2.353 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(N[C@@H]2CCN(C)C2=O)ccc1Cl 176905131 UPRONQJRJVVCKJ-CYBMUJFWSA-N 359.879 2.013 0 40 FEAB CNC(=O)c1nn(CN2CCc3sccc3[C@@H]2C)c(=O)c2ccccc12 14093835 YNUBPZWAISMFLX-LBPRGKRZSA-N 368.462 2.394 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NC1CCN([C@H]2CCCC[C@H]2O)CC1 95426540 GLXSFGTXXUVDIC-LEWJYISDSA-N 372.509 2.438 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)NCCOc2ccccc2F)cc1 14157706 TVLIUATWHLKNGF-UHFFFAOYSA-N 359.401 2.406 0 40 FEAB Cc1cc(C)c(C(N)=O)c(SCCN2C(=O)c3ccccc3C2=O)n1 14141223 SAHQHYDGOOQMCG-UHFFFAOYSA-N 355.419 2.186 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2cccs2)C1=O 5450204 PLWXSXOJQFZGPW-KRWDZBQOSA-N 358.375 2.127 0 40 FEAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 5678389 KWYUDXUNEYEOAI-LLVKDONJSA-N 359.407 2.214 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCCO3)N(C)C)cc1 6938689 UVXRTCZARBPPPZ-QGZVFWFLSA-N 356.422 2.499 0 40 FEAB CCSc1nnc(NC(=O)Cn2cnc3sccc3c2=O)s1 7990481 LLKCAJJQCUZMSF-UHFFFAOYSA-N 353.454 2.060 0 40 FEAB COc1cccc(N2C(=O)c3ccccc3N3C(=O)CC[C@@]23C(=O)O)c1 8264104 JBOFGIOHQGAPEO-LJQANCHMSA-N 352.346 2.263 0 40 FEAB Cc1cccc(C)c1-n1nnnc1Sc1nnnn1-c1ccccc1 8203926 VGQWAOAIPGIYSD-UHFFFAOYSA-N 350.411 2.406 0 40 FEAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc2c(c1)OCCCO2 8328425 BJSSFRRKALRHDP-UHFFFAOYSA-N 351.362 2.197 0 40 FEAB O=C(Nc1cccc(-c2nccs2)c1)N1C[C@H](O)[C@@H](N2CCCC2)C1 72313614 CXYRAJXLGGKQHW-HOTGVXAUSA-N 358.467 2.483 0 40 FEAB C[C@H](Oc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)NC1CCCCC1 408613860 WPIVFLCZOFGGEE-ZDUSSCGKSA-N 366.483 2.344 0 40 FEAB Cn1cc([C@H]2CN(C(=O)Cc3coc(-c4ccccc4)n3)CCO2)cn1 75107473 IEURSJLGJIWSCY-QGZVFWFLSA-N 352.394 2.218 0 40 FEAB O=c1cc(CN2CCCN(CC(F)(F)F)CC2)nc2ccc(Cl)cn12 89808133 XHTRQBOIGWQFFG-UHFFFAOYSA-N 374.794 2.418 0 40 FEAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20109015 FLACBGMIBHMLFN-AWEZNQCLSA-N 372.421 2.477 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2ccccc2Cl)c1C 524734354 VSUNIMUPVNIDMZ-UHFFFAOYSA-N 350.802 2.474 0 40 FEAB CC(=O)N([C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H](C(=O)O)C(C)C 2362804378 SGZQAUWSNKUIKW-DLBZAZTESA-N 362.426 2.355 0 40 FEAB CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218046333 JVEFSRVRWZLJPV-HBFSDRIKSA-N 373.474 2.443 0 40 FEAB COc1ccc(N([C@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1 216385894 DBKJYIDELRAJSR-CYBMUJFWSA-N 354.472 2.251 0 40 FEAB CC(C)c1nnc(CN2CCc3cc(S(N)(=O)=O)c(Cl)cc32)o1 528773319 YMDISWLBGUHLHC-UHFFFAOYSA-N 356.835 2.057 0 40 FEAB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 224686270 IEVHIFYIJURDHO-UHFFFAOYSA-N 363.391 2.092 0 40 FEAB CC(C)n1ncc2cc(C(=O)N[C@]3(CO)COc4ccccc4C3)cnc21 529820480 QTMJIAZSZCQRDR-HXUWFJFHSA-N 366.421 2.108 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3cc(N4CCOCC4)on3)CC2)c1C 224081812 LMRAEDJRXVRVHN-UHFFFAOYSA-N 370.453 2.090 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1N1CCCC1=O 44901372 GORHNYQTQWDZIW-GUTXKFCHSA-N 364.467 2.289 0 40 FEAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 225130102 IFQICDMPZDTEJM-UHFFFAOYSA-N 369.420 2.235 0 40 FEAB COc1cccc(OCCNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 44245938 LUTDDVUGHRKYFP-UHFFFAOYSA-N 368.397 2.180 0 40 FEAB CCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)Cc1ccccc1)C2 96039385 ZZVCHSPHACEVHK-ZWKOTPCHSA-N 353.484 2.424 0 40 FEAB C[C@@H](NS(=O)(=O)c1sccc1Br)[C@H]1CCCCN1 583652136 ZGSUHQPQTQSDIP-PSASIEDQSA-N 353.307 2.320 0 40 FEAB Cn1nc2c(c1CNC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)CCCC2 585123332 WPEGXMYANLTRAF-AEFFLSMTSA-N 355.442 2.023 0 40 FEAB Cc1csc(-c2ccc([C@H]3CCCN3S(=O)(=O)N(C)C)nc2)n1 257225474 FGIYEVHMIKCMED-CQSZACIVSA-N 352.485 2.457 0 40 FEAB Cc1cc([C@H]2CN(C(=O)CCn3nnc4ccccc43)CCO2)ccn1 257317385 VJOQNIIFUHZTCZ-GOSISDBHSA-N 351.410 2.125 0 40 FEAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)Cc2ccccc2)C3)n1 253479579 RFYCPELQYJZVGY-KRWDZBQOSA-N 353.422 2.167 0 40 FEAB CCCn1nccc1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257291241 QGFGUBOGWWXLDF-KRWDZBQOSA-N 363.487 2.298 0 40 FEAB COC(=O)C1=CC[C@@H]2[C@@H](C(=O)OC)CC[C@@]2(C)CC(O)=C1C(=O)OC 263595629 DUFOOXBFUWJHHD-NMOXLHADSA-N 352.383 2.070 0 40 FEAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(N(C)C)cc2)s1 90746380 WWCKSDGCDJWNPN-HNNXBMFYSA-N 354.497 2.388 0 40 FEAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCN2C(=O)CNC2=O)o1 608255357 BPXLYOMSYYGPJN-ZFWWWQNUSA-N 361.442 2.474 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)Nc3c[nH]nc3C3CC3)cc2C1 656739416 RTTDFRBJMVUGLN-UHFFFAOYSA-N 366.468 2.054 0 40 FEAB NC(=O)COc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1 1199721485 ISVFBTZHZBJGIN-UHFFFAOYSA-N 367.449 2.357 0 40 FEAB c1ccc(CC[C@@]23CNC[C@@H]2CN(c2nnnn2-c2ccccc2)C3)cc1 1772710519 XCOKIWFRHUBGSB-NQIIRXRSSA-N 360.465 2.321 0 40 FEAB Cc1nc(C(=O)N2CCOC3(CCN(c4ncccn4)CC3)C2)c(C)s1 1775993078 XYXQKTLKYFWUDM-UHFFFAOYSA-N 373.482 2.062 0 40 FEAB COc1ccc(OC)c(-c2cc(C(=O)N3Cc4cncnc4C3)n(C)n2)c1 96025489 HGCGERBKNNWKPU-UHFFFAOYSA-N 365.393 2.050 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1F 96096534 BTJFKZDPGBCQQT-SFHVURJKSA-N 369.396 2.414 0 40 FEAB O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 585103119 RFIJWSUENJLFKS-INIZCTEOSA-N 374.462 2.330 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCOC[C@](O)(COc2ccccc2)C1 585272077 KWZUCEOAYSQSMK-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)Cc1cccc(F)c1)CC2 585111023 SBRVMOIABMELBT-UHFFFAOYSA-N 369.440 2.394 0 40 FEAB CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 585282117 XXKYIQLIENCBMF-HXUWFJFHSA-N 364.461 2.351 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585278762 VCVIVOYYKYQALX-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB CCCS(=O)(=O)N1CCC(NC(=O)C(F)(F)c2ccccc2)CC1 53016905 QFFOQJSJMUFIOG-UHFFFAOYSA-N 360.426 2.099 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(C(C)C)ccc2O)CC1 58218413 NBCIOSVWOWSTPO-UHFFFAOYSA-N 354.472 2.060 0 40 FEAB O=C(O)[C@H](C1CC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 635018164 LIANUTCKFIWHRD-HNNXBMFYSA-N 356.344 2.213 0 40 FEAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCc2ccccc21 11318055 GNJYQWGQLSCMTP-ZDUSSCGKSA-N 373.430 2.225 0 40 FEAB Cc1nccc(-c2ccc(-c3noc(CN4CCC[C@@H](O)C4)n3)cc2)n1 12337093 FWLRCNLTGZZAQH-MRXNPFEDSA-N 351.410 2.459 0 40 FEAB COc1ccc(C[C@@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 12401818 WOPXRBLCRKTINA-GFCCVEGCSA-N 367.405 2.301 0 40 FEAB Cc1cccc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 13227635 YBTXBCAMVAHYOO-LJQANCHMSA-N 372.494 2.332 0 40 FEAB C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 16642388 NQJMPLNDHGLKJE-GJZGRUSLSA-N 368.474 2.485 0 40 FEAB COCc1nnc(NC(=O)c2csc(-n3nc(C)cc3C)n2)s1 19116497 MRHIGRQOJZUTDS-UHFFFAOYSA-N 350.429 2.196 0 40 FEAB Cc1cccc(CC(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 19234814 MTSMDEYCPOWOMG-GCJKJVERSA-N 362.429 2.381 0 40 FEAB C=Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 19584236 KWZSRXZMGHPFGV-PCCBWWKXSA-N 352.482 2.154 0 40 FEAB Cc1ncc(CC(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)s1 575414927 QNHDEKDAOOMWEN-AWEZNQCLSA-N 370.521 2.444 0 40 FEAB O=C(COC(=O)c1cncc(Br)c1)NCc1cccs1 3247478 NWBQTIOZMDMGAI-UHFFFAOYSA-N 355.213 2.379 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888906603 FZVZKBCJBYYQMM-FZKQIMNGSA-N 351.414 2.137 0 40 FEAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3n2)c1 24471686 XGIAOCSMTCKCKP-UHFFFAOYSA-N 372.450 2.122 0 40 FEAB O=C1CO[C@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)OCC1=O 1570007657 SYTZTCVUPWSNLO-WTGUMLROSA-N 354.358 2.353 0 40 FEAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)N1CCCC1 4166407 HSMDAAODIADICE-UHFFFAOYSA-N 372.429 2.123 0 40 FEAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccncc1 4585926 IKFVHLIIOPHGGE-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1C 4940769 DSSKOLASMOQPQU-CYBMUJFWSA-N 358.419 2.475 0 40 FEAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2ccco2)C1 2055751377 PWCGYOBXPGXOIT-HXUWFJFHSA-N 357.454 2.489 0 40 FEAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2ccco2)C1 2055751376 PWCGYOBXPGXOIT-FQEVSTJZSA-N 357.454 2.489 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)o1 2055718367 JSXOCCBLBJZLBD-IXDOHACOSA-N 369.421 2.489 0 40 FEAB Cc1nc(N)nc(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 19665539 SMYTWHSHOUSEHE-LLVKDONJSA-N 356.426 2.257 0 40 FEAB CCSc1nnc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc23)s1 13578849 RNONQDQEOMMWEW-LURJTMIESA-N 367.485 2.436 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)n1cnc2ccccc21 30581905 KGIHZHDAOJAINJ-AWEZNQCLSA-N 351.410 2.468 0 40 FEAB O=C(C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCCCC1 101080915 FFNSMUCLAWQRTL-ROUUACIJSA-N 373.497 2.010 0 40 FEAB COCCOc1ncccc1C(=O)NCc1ncc(-c2ccccc2)[nH]1 51410659 FUHYDOLHVOJUKP-UHFFFAOYSA-N 352.394 2.427 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)N3CC(=O)Nc4ccccc43)cnc12 32850692 YAXNMBCYBZMQDC-UHFFFAOYSA-N 362.389 2.080 0 40 FEAB COC(=O)c1cc(NC(=O)c2ccccc2OCC(=O)N(C)C)ccc1F 22615162 TYGXUESTDDWLOK-UHFFFAOYSA-N 374.368 2.332 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 6914908 GDJQVZRNNLLNET-UHFFFAOYSA-N 365.382 2.130 0 40 FEAB CN(C)C(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10370449 IBIMMYJANPITSP-UHFFFAOYSA-N 350.415 2.494 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(F)c(F)c1 10449352 LPSKHZQQVXEKMW-UHFFFAOYSA-N 366.389 2.320 0 40 FEAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 8267717 XZAVVXGBTQZAHS-OAHLLOKOSA-N 357.410 2.208 0 40 FEAB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)O 8812390 NMVSXAFFEXSFKE-KEBDBYFISA-N 360.341 2.452 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Br)c1 45172917 CSMPGKJGBHHXRE-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 28491799 OJQADCGVPLLJNY-ZIAGYGMSSA-N 354.472 2.014 0 40 FEAB C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c21 2348540 YOBNPDDGTGZJPC-SNVBAGLBSA-N 358.471 2.070 0 40 FEAB CC(=O)N1CCC(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)CC1 36625187 JLHTUEKVEZZALR-SFHVURJKSA-N 360.454 2.444 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 102614660 RCWKFRDWFNFKGV-QBPKDAKJSA-N 369.396 2.354 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N1CC=C(c2ccc(F)cc2)CC1 12620348 ZLPAZAORHLRIAH-UHFFFAOYSA-N 364.380 2.247 0 40 FEAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(OCC(C)C)c(OC)c2)C1=O 12791724 HVORVDAWAFQODA-GOSISDBHSA-N 363.414 2.095 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC(OCc2ccc(Cl)cc2)C1 75352776 JHVOSMNCMSMKQA-UHFFFAOYSA-N 355.847 2.270 0 40 FEAB O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCC(F)(F)F)c12 12920795 CQLCJHJHRSROIJ-UHFFFAOYSA-N 358.345 2.347 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 12934243 IWHUHWFISYRFIM-MRVPVSSYSA-N 357.375 2.498 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 12918072 QXLNZTVTPUVSED-HXUWFJFHSA-N 367.493 2.404 0 40 FEAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccnc2-n2cncn2)c1 13013096 RPUPJFSUMQKBQV-UHFFFAOYSA-N 351.410 2.430 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 38833566 KHSRBGQDKQNRMZ-QGZVFWFLSA-N 360.435 2.469 0 40 FEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 3910127 FDCPADXXIFVMAK-GFCCVEGCSA-N 357.435 2.129 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)nc2)c1 6277215 OLEMFMMJDGNSKP-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 4472296 VJDAKNRJFSSFSB-LQGZHCLWSA-N 367.379 2.007 0 40 FEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cnc(C(C)(C)C)s2)s1 172522280 CZGDZWDNJNADFL-ZHSLHGDYSA-N 350.509 2.415 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679554 CRCLITDZBBPTFC-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB CC(C)[C@@H]1C(=O)NCCN1Cc1csc(-c2ccc3c(c2)OCO3)n1 66498363 XKIRCVHRAZFNBG-MRXNPFEDSA-N 359.451 2.495 0 40 FEAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@@H](c2ccccc2F)C1 66691548 XYXDSMUGKOSBKG-MRXNPFEDSA-N 353.353 2.276 0 40 FEAB CN(C)[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)c1cnn(C)c1 90582451 JCEHHIKXRMOEIT-KRWDZBQOSA-N 361.877 2.444 0 40 FEAB Cc1cc(I)cc(C)c1NC(=O)[C@H]1CCC(=O)N1 408737769 OMIIAXBWLPAEDH-SNVBAGLBSA-N 358.179 2.125 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCc3ccccc31)C2=O 9691522 CRZAEWAWUAMJJY-FOCKTWCOSA-N 355.438 2.291 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCCn3cccc3)c(=O)oc2c1OC 70666497 ROPMICVBDWKUIU-UHFFFAOYSA-N 370.405 2.279 0 40 FEAB biogenic COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 70666363 UWFGSLFOSRGZIM-NWDGAFQWSA-N 360.366 2.258 0 40 FEAB biogenic O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Br)cc1 4520281 JQGZXDQESADKOO-BFHYXJOUSA-N 366.259 2.177 0 40 FEAB Cc1nccn1-c1cccc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 72379237 CDOPJFCKOCWJJR-UHFFFAOYSA-N 350.426 2.329 0 40 FEAB CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)c1 21633368 YKOXWHMMGGQMLK-UHFFFAOYSA-N 357.391 2.380 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1 35311573 SRJOHFXFFPXNBW-AWEZNQCLSA-N 353.488 2.188 0 40 FEAB COc1cccc2c(N3CC[C@H](n4cc(C(=O)O)nn4)C3)c(C)cnc12 515054319 QXYDMMAHASRDKT-LBPRGKRZSA-N 353.382 2.293 0 40 FEAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNCc1c(F)cccc1N1CCCC1 527568037 JNWHZCBIAQCOSO-PMUMKWKESA-N 359.449 2.188 0 40 FEAB CSCC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 75157532 UQFSVLUZUNFIAQ-KXBFYZLASA-N 364.511 2.277 0 40 FEAB CCn1cc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2C)cn1 32610305 VCOCCGZQSZPBLU-UHFFFAOYSA-N 370.482 2.415 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)N[C@H](C)c3ccncc3)c(=O)c1n2C 72335339 ZOSSAIIMARICKV-GFCCVEGCSA-N 365.393 2.062 0 40 FEAB COCC(=O)N1CCC[C@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 72383884 VFNNCBSEHXRREE-OAHLLOKOSA-N 370.457 2.055 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 72339976 QZGWPLATJPAEFT-WFASDCNBSA-N 357.458 2.223 0 40 FEAB O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 529466172 HCPYSDDHYRUTGT-RRFJBIMHSA-N 371.405 2.265 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223418266 WLXVZLZKYYVEFF-GJZGRUSLSA-N 368.380 2.074 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cn(C)nc2-c2cnn(C)c2)sc1C 572658868 WGIVZIJQPJDKMC-UHFFFAOYSA-N 351.457 2.300 0 40 FEAB CN(CCN1C(=O)c2ccccc2C1=O)C[C@@H]1COc2ccccc2O1 46560259 OKXUWCLDOJNOQA-CQSZACIVSA-N 352.390 2.054 0 40 FEAB O=C(N[C@H]1CCN(C2CCCC2)C1)c1cccc(N2CCCNC2=O)c1 81412284 LWUUMIPKSAMNHL-INIZCTEOSA-N 356.470 2.353 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C(=O)C3CC3)C2)C1 577052305 NBLIEBCSNSXNKM-CRAIPNDOSA-N 356.470 2.043 0 40 FEAB CC(C)CNC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244318 NBOXDXAPDXULOA-HXUWFJFHSA-N 367.453 2.378 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCc2cncn2C)cc1 583623749 RTTHPVAZZSUOQW-AZUAARDMSA-N 357.454 2.260 0 40 FEAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)Nc1ccc(F)cc1)C2 96071548 ROIRVRXUHMVJIO-MRXNPFEDSA-N 355.435 2.248 0 40 FEAB COc1ccccc1CN1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 248122454 FVVZCRHUBJUVNG-SFHVURJKSA-N 374.481 2.068 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 248103055 FGTSLNAPYZRSSR-HNNXBMFYSA-N 350.426 2.001 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](CC(C)C)N2CCOCC2)c1 26233929 JUBRGSMZJZBQCB-QGZVFWFLSA-N 354.516 2.329 0 40 FEAB CC(C)C(=O)NCCNC(=O)NCc1ccc(CN2CCCCC2)cc1 26248303 ISHOACRGMYGWHN-UHFFFAOYSA-N 360.502 2.244 0 40 FEAB Cc1ncsc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257292149 QKEXKJRJDAMXBD-LBPRGKRZSA-N 352.485 2.123 0 40 FEAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1 257343950 ZVBUHBSJMFDFCX-INIZCTEOSA-N 352.398 2.459 0 40 FEAB CN([C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O 260793345 INEXLEXWYYXNNA-INIZCTEOSA-N 350.415 2.075 0 40 FEAB NC(=O)c1csc(CNc2ncnc3c2cnn3-c2ccccc2F)n1 1612625132 RAJCVYVQWIPAHH-UHFFFAOYSA-N 369.385 2.122 0 40 FEAB O=C(c1ccsc1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390830086 IPGJWPQHAARDOZ-UHFFFAOYSA-N 356.407 2.036 0 40 FEAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C 585096933 CTSGYVQEHNMMPP-HNNXBMFYSA-N 369.469 2.086 0 40 FEAB O=C(COc1ccccc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585276772 IQSVWEADWSYTHM-FQEVSTJZSA-N 359.397 2.037 0 40 FEAB O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 685940144 XWKRJKHBJDIQNV-DLBZAZTESA-N 356.397 2.472 0 40 FEAB COC(=O)c1ccccc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1 96374555 PDSFKNINRKOPOB-UHFFFAOYSA-N 367.467 2.149 0 40 FEAB CCn1c(S)nc2cc(C(=O)N[C@H](C)c3cnn(C)c3C)ccc2c1=O 103141723 GNGKZLIMCVTUTJ-SNVBAGLBSA-N 371.466 2.238 0 40 FEAB Cc1nc(C(F)(F)F)ccc1NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 637230890 AKYQEVOCYGKJMP-JTQLQIEISA-N 367.331 2.134 0 40 FEAB O=c1/c(=C\c2ccc3c(c2)OCO3)sc2nnc(Cc3ccccc3)n12 5723192 SMKFKRCSRCEISJ-CXUHLZMHSA-N 363.398 2.018 0 40 FEAB COc1ccc([C@@H](NC(=O)Cc2c(C)nn(C)c2C)c2nccn2C)cc1 11053067 GNFLETORYZCPCH-LJQANCHMSA-N 367.453 2.227 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCC[C@@H](C)C2)n1 12186037 HXYSXYFZNPLQDJ-DOMZBBRYSA-N 357.458 2.080 0 40 FEAB Cc1ccc(C2(CN3CCC(NC(=O)CN4CCCC4=O)CC3)CC2)cc1 12337263 KMEUJMDDOPZXNC-UHFFFAOYSA-N 369.509 2.230 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c(C)c1 12802703 NMGXEHCPDKZFRC-KRWDZBQOSA-N 354.516 2.247 0 40 FEAB O=S1(=O)N[C@@H](C2CCN(Cc3ccccn3)CC2)Nc2ccccc21 13267402 JBJFBFITIMEEAU-SFHVURJKSA-N 358.467 2.024 0 40 FEAB COc1cccc(CN(C)C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 14141870 JUAMRVVNGDLEHU-UHFFFAOYSA-N 368.842 2.268 0 40 FEAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)CC(C)(C)C)C2)c2cccnc21 19021669 LEDZWKYYDQGCBC-HNNXBMFYSA-N 371.485 2.320 0 40 FEAB CN1C[C@@H](C(=O)N2CCCC(C)(C)C2)[C@@]2(CCc3ccccc3C(=O)N2)C1 19461195 UCUIWMFZNUYCRP-PGRDOPGGSA-N 369.509 2.312 0 40 FEAB CCc1ncc(CN2CCN(c3cc(C)nc([C@H]4CCCN4)c3)CC2)cn1 19697955 WXSSHYFLVCPZPJ-LJQANCHMSA-N 366.513 2.489 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)o1 19749107 YMJQYMFEMXJDPJ-ZDUSSCGKSA-N 362.455 2.481 0 40 FEAB O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cn(-c2cccc(Cl)c2F)nn1 619078142 OSMMRRFKQOPSFL-CHWSQXEVSA-N 350.781 2.093 0 40 FEAB CC[C@H](C)n1c(C)cn2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc12 10233551 QBZVLAQWUJHZQP-NSHDSACASA-N 373.457 2.044 0 40 FEAB CCN1C(=O)NC2(CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1=O 17288347 VATQLNXELGOYLT-UHFFFAOYSA-N 369.343 2.252 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C[C@H]3NC(=O)C(C)(C)C)C2)cc1 19211677 PBCGKWRTGDEVJN-NUEKZKHPSA-N 350.484 2.166 0 40 FEAB CCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(OC)cc(OC)c2)C1=O 6788160 BVAMWTDGLPERKE-SFHVURJKSA-N 363.414 2.143 0 40 FEAB COc1ccc(C(=O)N2CC[C@@H]3C[C@]32C(=O)Nc2cccc(F)c2)cn1 2056224939 HSQRBIAZHRODLH-BFUOFWGJSA-N 355.369 2.473 0 40 FEAB O=C(NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1)c1ccncc1 1565544172 WXQZXGHJLVAPAW-UHFFFAOYSA-N 352.438 2.153 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 5194798 FIAKSHWWFWVONK-CQSZACIVSA-N 370.405 2.248 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 8961851 NETWLQSYYQEOEA-UHFFFAOYSA-N 366.826 2.404 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccccc4)cnc32)cc1 10251614 UGPQPCXVGUDHFX-UHFFFAOYSA-N 359.389 2.203 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(CC2CCOCC2)CC1 2055713774 KGKSALINXUXCJM-UHFFFAOYSA-N 372.469 2.010 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccco2)CC1 2055750979 UFORFDFAOGZPGO-UHFFFAOYSA-N 357.410 2.121 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCOCC1 23181793 KMYYBAQGVMPUSS-RHSMWYFYSA-N 366.508 2.488 0 40 FEAB O=C(NCCc1ccccc1)N1CCN(C[C@H](O)c2cccs2)CC1 85466938 TVJOBOXKYHVQIA-KRWDZBQOSA-N 359.495 2.351 0 40 FEAB CC(C)NC(=O)CN(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 40120111 BJBFNCRFXHYCGV-UHFFFAOYSA-N 367.755 2.273 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)Nc4ccccc4F)CC3)nn12 20722021 PNLMMHNOAMSTSV-UHFFFAOYSA-N 354.389 2.427 0 40 FEAB C[C@H]1CN(CCNC(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 42032174 REQYTZNHUVWWIT-OKILXGFUSA-N 363.483 2.038 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 24039557 NLQGMCFPKYXZEX-INIZCTEOSA-N 351.406 2.033 0 40 FEAB COc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1 24014441 JLRZLZVTIAXPGQ-UHFFFAOYSA-N 354.450 2.386 0 40 FEAB CS(=O)(=O)c1ccc([C@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1 3098859 LVIWXYDETRIGBP-NHCUHLMSSA-N 366.462 2.411 0 40 FEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cc(C)on1 3365554 XYTLDRFUGXCYOA-UHFFFAOYSA-N 351.384 2.415 0 40 FEAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 4463322 GIRGYGGIDQWKCP-UHFFFAOYSA-N 370.361 2.227 0 40 FEAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1cccs1 4905718 WJCRDWHNRHIQFW-UHFFFAOYSA-N 354.482 2.357 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1 55764156 NGEBJOXZFUIZEQ-UHFFFAOYSA-N 374.462 2.278 0 40 FEAB NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 55906413 WXBPWMYDGTZVRE-FQEVSTJZSA-N 361.401 2.465 0 40 FEAB COc1ncccc1CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 56386973 ZPJAUIFKJKZVFP-CQSZACIVSA-N 364.446 2.289 0 40 FEAB Cc1nc(C)c(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c(=O)[nH]1 58297042 CEJPHRQTAIDMDO-SFHVURJKSA-N 368.481 2.100 0 40 FEAB C[C@@H](C(=O)NCc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957076 DRGJUTZSIXXKMT-LBPRGKRZSA-N 368.405 2.436 0 40 FEAB C[C@H]1CN(Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)CCO1 36389968 KEDJWTJPDMMLJJ-SWLSCSKDSA-N 362.455 2.142 0 40 FEAB Cc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cnc(N(C)C)nc2)C3)nc1 100149339 QFMOVGBZXMDPEC-ROUUACIJSA-N 367.497 2.366 0 40 FEAB CCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1 11040370 JPJNTADZCJQZAY-UHFFFAOYSA-N 355.394 2.274 0 40 FEAB CCOC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)C(C)C 47932326 GDESICYVZHYBLM-IAGOWNOFSA-N 365.474 2.185 0 40 FEAB Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 177205526 VVBCJHREMGDCAX-PMACEKPBSA-N 368.481 2.084 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 46786174 MFRWAHJPTISRSH-RDTXWAMCSA-N 356.451 2.324 0 40 FEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2 3293226 BNAZOOCFECXZBZ-MRXNPFEDSA-N 366.373 2.411 0 40 FEAB CN1CCC(N(C)C[C@@H](O)COc2ccc(Br)cc2)CC1 3305623 HSCLWTMHLZQAQR-OAHLLOKOSA-N 357.292 2.215 0 40 FEAB CC(C)(C)OC(=O)NC1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48300551 YCTGAPIGIGCQPS-UHFFFAOYSA-N 364.471 2.245 0 40 FEAB O=C(OC[C@@H]1CC1(Cl)Cl)c1ccccc1CN1C(=O)CNC1=O 12883920 VMBFIEPGQCRWSV-JTQLQIEISA-N 357.193 2.089 0 40 FEAB COc1ccc(CCNC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 3414154 CAQKPNGDDZBMQN-UHFFFAOYSA-N 374.388 2.294 0 40 FEAB O=C(CNC(=O)c1ccccc1F)NC1CCN(Cc2ccccc2)CC1 3415231 AJEULKUYXOLHDN-UHFFFAOYSA-N 369.440 2.336 0 40 FEAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12942544 YQIHEOBRCGDIRN-UHFFFAOYSA-N 357.410 2.328 0 40 FEAB O=C1O[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 19359506 SEDKWJLTQOQURF-IBGZPJMESA-N 352.390 2.402 0 40 FEAB Cc1nc(-c2ccccc2)nc(SCC(=O)N2CCOCC2)c1[C@H](C)O 9134054 SIRQZWLCSZMDOB-AWEZNQCLSA-N 373.478 2.456 0 40 FEAB CC(=O)c1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 409412016 PRDPZJNRWYWCIP-UHFFFAOYSA-N 368.499 2.452 0 40 FEAB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc(Cl)c(C(F)(F)F)c1 13688833 VUCFXXGRZHEDJD-VIFPVBQESA-N 359.695 2.472 0 40 FEAB COC(=O)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CCC4)c1=O 13686722 XFCDMMIKQKCXSH-UHFFFAOYSA-N 355.394 2.398 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]23)cc1OC 6406794 PUIUPDBRYKRYQZ-RDJZCZTQSA-N 370.336 2.135 0 40 FEAB Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4593089 JUFOPKZZFFZRPL-UIVXMWCNSA-N 369.417 2.141 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5617198 RBPVHTCZSSHLON-GFCCVEGCSA-N 358.419 2.189 0 40 FEAB O=C(OC[C@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 4977711 MXJFEWOUOTWSTM-KURKYZTESA-N 354.358 2.342 0 40 FEAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1 5976266 NWJKQIVHIJCRPG-UHFFFAOYSA-N 364.379 2.153 0 40 FEAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Br)s2)n1 7385676 YIPVVBIHGWLMGP-UHFFFAOYSA-N 363.262 2.223 0 40 FEAB NC(=O)[C@@H](CNC(=O)c1ccc(O)c(Cl)c1)Cc1ccc(F)cc1 68440431 ZGFKSBOPBVGCMB-GFCCVEGCSA-N 350.777 2.259 0 40 FEAB COc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc32)cc1 8012487 XNFNBCWLPRRDGV-UHFFFAOYSA-N 356.407 2.321 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 8365862 IFONVXDMKWCSBT-UHFFFAOYSA-N 367.384 2.041 0 40 FEAB CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)c(S(C)(=O)=O)c1 8726878 SBIRULGPOCYCLQ-UHFFFAOYSA-N 365.476 2.056 0 40 FEAB O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8776614 COWYPOFQAVKNGJ-OAHLLOKOSA-N 368.389 2.059 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)CO)c2)c1 97203432 YFHRPOSYPWQVQR-AWEZNQCLSA-N 362.451 2.215 0 40 FEAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NC(C)(C)C 408561583 JZEXQJAOTFGZQD-UHFFFAOYSA-N 368.499 2.463 0 40 FEAB CNC(=O)c1cc(Oc2cccc(OCC(=O)NC(C)C)c2C)ccn1 75106881 ZWUVOXWEFWQDRX-UHFFFAOYSA-N 357.410 2.445 0 40 FEAB Cn1nc(-c2ccccc2)nc1CCNC(=O)COCCc1ccccc1 89741151 LIRQAFNZDTYKAO-UHFFFAOYSA-N 364.449 2.400 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N[C@H](C)c1nc(C3CCCCC3)no1)CC2 89740860 MZYHQAOOABZPLN-BXUZGUMPSA-N 358.446 2.457 0 40 FEAB C[C@@H](CC(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccncc1 89894588 RYNDNOIJGNNVHK-AWEZNQCLSA-N 367.405 2.212 0 40 FEAB CC[C@@](C)(CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@@H](C)O 89942086 YEXXFCRXNHHZFR-KDOFPFPSSA-N 370.515 2.081 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC 408585353 FJWVFUPTNZYTNM-UHFFFAOYSA-N 365.411 2.137 0 40 FEAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@H]2C1 306135724 OYUOHALIBIPHAG-ZIAGYGMSSA-N 371.510 2.235 0 40 FEAB Cc1ccc(CN2C[C@H](c3ccnn3C(C)C)[C@]3(C2)OCCNC3=O)cc1 306127384 FXHIXNCQFKPSSU-NQIIRXRSSA-N 368.481 2.257 0 40 FEAB NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 218391829 GURRKONCLLDPSU-HZPDHXFCSA-N 350.871 2.184 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218458763 OVMFRLTZNCIPHT-AQNXPRMDSA-N 359.491 2.435 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c1 56997492 BNHXHOGINGCQOM-UHFFFAOYSA-N 373.522 2.404 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@H](CN(C)C)CO2 72395244 QCKSAKOZTZDKTA-QUCCMNQESA-N 353.466 2.346 0 40 FEAB O=C(Cc1ccc2c(c1)OCC2)Nc1ccc(N2CCCS2(=O)=O)cc1 79475067 ICOUEOFXDSUGEA-UHFFFAOYSA-N 372.446 2.343 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(N)s2)C1 222646100 OAVKBLNILBOPNJ-LLVKDONJSA-N 368.484 2.006 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(F)c(F)c2F)cc1 43232337 OVABVSUAIDQWTH-UHFFFAOYSA-N 373.356 2.116 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(Cl)c1 224358886 IWWJMMHOXGSANJ-UHFFFAOYSA-N 361.833 2.285 0 40 FEAB Cc1cccc(C(=O)N2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)n1 96062445 RYSBGJJNJDEUGW-LJQANCHMSA-N 372.494 2.211 0 40 FEAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2ccncc2)CC3)c1 96051714 VCUBUKQPXMUXRL-QGZVFWFLSA-N 352.438 2.235 0 40 FEAB Cc1ccc(C(=O)N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)cn1 248103020 OJLJURQKRIQYOH-GOSISDBHSA-N 353.422 2.375 0 40 FEAB Cc1ccc(NC(=O)N2CC[C@H](OC(F)F)C2)c(OCC(=O)N(C)C)c1 585080360 ZXCLLAGMCINLRZ-LBPRGKRZSA-N 371.384 2.307 0 40 FEAB CN(C)c1cc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)ccn1 257344413 ZXCJNWQTEJLCRF-HNNXBMFYSA-N 350.426 2.210 0 40 FEAB CC(=O)N1CCC[C@H](Cc2cncc(-c3cnc4ncccn34)n2)CC1 257335487 YKIHEHSJYJGOMN-HNNXBMFYSA-N 350.426 2.377 0 40 FEAB CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257278216 OBHZMVVDQYCIFX-VNQPRFMTSA-N 353.426 2.233 0 40 FEAB O=C(Nc1ccc(OC2CCCC2)nc1)NC1CCS(=O)(=O)CC1 275778472 SOGGLVJSLKWERN-UHFFFAOYSA-N 353.444 2.102 0 40 FEAB O=C1CC[C@@H](N2CCN(Cc3cccc(OC4CC4)c3F)CC2)CCN1 668225925 ZIAFTPVQEZQSJN-MRXNPFEDSA-N 361.461 2.153 0 40 FEAB O=C(NCC1(N2CCOCC2)CCC1)c1cccc(Br)c1 1776008268 BDNSSVWBENCONG-UHFFFAOYSA-N 353.260 2.434 0 40 FEAB COc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 1637488002 HFZAJWJBPVTQJL-HAQNSBGRSA-N 350.415 2.489 0 40 FEAB COC[C@@]1(C)CN([C@@H](C(=O)O)c2ccccc2Br)CCO1 629379926 STNLWINXJSUZQH-UKRRQHHQSA-N 358.232 2.312 0 40 FEAB CC1CC(n2nnc3c2CN(c2ccc4nnc([C@H]5C[C@@H]5C)n4n2)CC3)C1 631491133 VMFUTJLYDAPKHC-YIOUJQMASA-N 364.457 2.373 0 40 FEAB Cc1ccc(F)c(-c2cc(NC(=O)c3c(C)c[nH]c3CC(N)=O)n[nH]2)c1 1141826302 FVSDITKYFXMKCX-UHFFFAOYSA-N 355.373 2.441 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 52774008 VTQSVXADMMNLAE-DGCLKSJQSA-N 374.890 2.185 0 40 FEAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N(C)C)CC1 96941530 ZCHGGFVUSLFHRP-CYBMUJFWSA-N 365.428 2.198 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5716789 AFXJQHUILRALHC-UHFFFAOYSA-N 370.449 2.045 0 40 FEAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 12146614 MVQGYLDDMRPRHU-UHFFFAOYSA-N 350.378 2.213 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1 16691829 AHKISHKHVJMZNJ-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)CCCn3cncn3)C2)c2sccn12 19240738 DPYAQWHXGIWLJU-AWEZNQCLSA-N 358.471 2.482 0 40 FEAB O=C(c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1)N1CCC(O)CC1 19339070 VDLQWBZIBGQLKI-INIZCTEOSA-N 370.453 2.046 0 40 FEAB CCc1nccn1[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 19657368 PVFMVXOUWWPDDQ-AWEZNQCLSA-N 356.426 2.118 0 40 FEAB C[C@@H]1CCc2nc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)sc2C1 19748768 XRBCNWBLSWLPHH-LLVKDONJSA-N 371.528 2.268 0 40 FEAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21)c1cc[nH]n1 19749615 VHVGQYUOISEQFR-INIZCTEOSA-N 374.466 2.048 0 40 FEAB CCN1CCO[C@@H](CNCc2cccc3[nH]ccc23)[C@@H]1c1cnn(C)c1 657621860 GHHKZEIQPZEEOZ-PMACEKPBSA-N 353.470 2.453 0 40 FEAB CC(C)CNC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 3605353 BQVQZINKJVEWBI-UHFFFAOYSA-N 372.208 2.071 0 40 FEAB CN(C(=O)CSc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 5034959 QSSKHMQZHAPJGV-JTQLQIEISA-N 356.494 2.034 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)N[C@H](CC(=O)O)c1cccs1 13453729 SEOGASJCAMIMFB-LLVKDONJSA-N 353.421 2.097 0 40 FEAB CC(C)(C)NC(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888860447 HMHSGVNZDKZIPR-GFCCVEGCSA-N 358.446 2.211 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)no1 4354204 HUTMCBBVIWUSAP-UHFFFAOYSA-N 373.394 2.027 0 40 FEAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1F 10251174 URKSUBDFVBLBJA-UHFFFAOYSA-N 367.315 2.244 0 40 FEAB CCC(CC)CN1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796084 TURGUYTZCDPPQH-FQEVSTJZSA-N 360.502 2.223 0 40 FEAB Cc1cc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)n(C)n1 2055754817 ZAHYRYXDLDIYAP-UHFFFAOYSA-N 367.497 2.408 0 40 FEAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(-c2ccco2)[nH]n1 575618519 IQLUCJTYKYAUJE-UHFFFAOYSA-N 351.366 2.122 0 40 FEAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)cs1 40005062 UNURKJCZVAZMRZ-AWEZNQCLSA-N 350.465 2.169 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)no1 40013144 IEIGHNGYDNSEQJ-UHFFFAOYSA-N 372.425 2.485 0 40 FEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646835 VPRFJIZEFDHWAX-DTJSUFBGSA-N 371.433 2.491 0 40 FEAB CC[C@@H](C(=O)OC)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958742 LSVOXJPFKPTDJL-JTQLQIEISA-N 352.412 2.456 0 40 FEAB COc1ccc(CCNCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 23731287 QERAFYWXHPMINA-UHFFFAOYSA-N 369.421 2.281 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NC(=O)C(C)C)ccc1OC(F)F 3357662 JQKRMAIILZKSJY-FNORWQNLSA-N 371.336 2.152 0 40 FEAB O=C(NCCc1ccncc1)/C(=C\c1ccc[nH]1)NC(=O)c1ccco1 4928040 KMSLTUXPBFGHEY-DTQAZKPQSA-N 350.378 2.133 0 40 FEAB C[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 24978972 DSIWEOXRBXPHSW-OLZOCXBDSA-N 369.421 2.235 0 40 FEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 6948570 ZUCVSLPUJUBYRK-LCYFTJDESA-N 363.395 2.500 0 40 FEAB CN(CC(=O)Nc1cccc2ncccc12)S(=O)(=O)c1ccccc1 25048757 IXEHCFSVRLBWOV-UHFFFAOYSA-N 355.419 2.494 0 40 FEAB CC(C)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc(O)cc1=O 8883071 KEEYFFWLKORERP-UHFFFAOYSA-N 373.478 2.282 0 40 FEAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)c1 58453222 QIKZQXQVRNEHNM-OAHLLOKOSA-N 356.353 2.178 0 40 FEAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(-n2cnnc2)c1 57942960 FXLJRWLSXYEJRB-UHFFFAOYSA-N 355.785 2.176 0 40 FEAB Cc1csc(CCNS(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 58194892 QPAJSMULMSYOIR-UHFFFAOYSA-N 362.480 2.217 0 40 FEAB COc1cc(NC(=O)CNc2ccccc2CC(=O)N(C)C)cc(OC)c1 58181967 WIHMHQXLQQFJOZ-UHFFFAOYSA-N 371.437 2.385 0 40 FEAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1cnc2sccn2c1=O 28304625 LVZIXSFFWBYYGN-UHFFFAOYSA-N 369.381 2.392 0 40 FEAB CCCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 27745359 OQVPIODJMJOYDX-VIFPVBQESA-N 373.431 2.267 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 102016113 PZQQGEXEPDEQHJ-VGWMRTNUSA-N 357.797 2.252 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 12532775 SDROLUFHBQXAMX-UHFFFAOYSA-N 374.462 2.487 0 40 FEAB COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 58415474 KMPZHZQYMPTKKI-ZBFHGGJFSA-N 368.433 2.460 0 40 FEAB CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)cc1 2285723 FOWKRWYXEZPODA-RGEXLXHISA-N 368.433 2.353 0 40 FEAB Cc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O 113967671 YJIICCZHCPBMCA-UHFFFAOYSA-N 361.467 2.253 0 40 FEAB COc1ccccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11114700 FYUZNQXNMGJROF-INIZCTEOSA-N 374.462 2.327 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3cccnc3Cl)CC2)cc1 29117943 HPVATQAAPSMJPT-UHFFFAOYSA-N 359.813 2.342 0 40 FEAB COc1ccc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1F 47331274 RKYKSTFVMXHKPG-UHFFFAOYSA-N 356.419 2.310 0 40 FEAB Cc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)nn12 3369227 ALSJGLVZUJIBAK-UHFFFAOYSA-N 372.816 2.175 0 40 FEAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2cc(C)cnc12 12912320 LQLROHVJZGRBDZ-OAHLLOKOSA-N 361.467 2.223 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13063446 XQLMSENCOOZJAW-STQMWFEESA-N 363.845 2.343 0 40 FEAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3nccs3)cc2s1 13727303 ZYVVZJMPMBVITG-UHFFFAOYSA-N 354.438 2.377 0 40 FEAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)(C)C(N)=O 65410665 POJHUKXJEWYDLF-UHFFFAOYSA-N 351.403 2.163 0 40 FEAB COc1ccc(OC)c(/C=C/C(=O)OCn2nnc3ccccc3c2=O)c1 6347355 NRPBNNYISAKAHB-JXMROGBWSA-N 367.361 2.023 0 40 FEAB Cc1cc(C)cc(OCCN(C)C(=O)c2cnc3n(c2=O)CCS3)c1 14139669 RJNBAFSFYAIFNE-UHFFFAOYSA-N 359.451 2.117 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 14254147 CSBRXWABBOBIAP-NVXWUHKLSA-N 358.438 2.306 0 40 FEAB Cc1cc(C)c(C(N)=O)c(SCC(=O)NCCc2ccc(F)cc2)n1 14230151 CDHCMTJHTLVDNB-UHFFFAOYSA-N 361.442 2.387 0 40 FEAB Cc1ccc(Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 4818519 JCJHIKZSMOOSDS-UHFFFAOYSA-N 369.469 2.248 0 40 FEAB O=C(Cn1nnc(-c2cccs2)n1)c1cccc(N2CCCC2=O)c1 7299985 TXRFPFLEAVRODB-UHFFFAOYSA-N 353.407 2.411 0 40 FEAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1 8026744 DZTUGGVBPPBINT-QGZVFWFLSA-N 360.435 2.131 0 40 FEAB COC(=O)c1sc2nc(COC(=O)c3ccoc3C)[nH]c(=O)c2c1C 8252317 PKCNJADXCDYSOZ-UHFFFAOYSA-N 362.363 2.338 0 40 FEAB O=C(NCCc1ccco1)C1CCN(S(=O)(=O)c2cccs2)CC1 8263442 NHBSMDRERLQLAZ-UHFFFAOYSA-N 368.480 2.101 0 40 FEAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 70040782 DZNURKBEDVNUNB-AUUYWEPGSA-N 358.438 2.282 0 40 FEAB COC(=O)c1ccc(CN(C)C(=O)c2cnn(-c3cccnc3)c2)cc1 83862493 CRLKARLYIMFPCA-UHFFFAOYSA-N 350.378 2.326 0 40 FEAB CC(C)(C)c1ncc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cn1 69924410 LYJGJDAAXWLEIJ-UHFFFAOYSA-N 374.466 2.467 0 40 FEAB O=C1CCc2cc(OS(=O)(=O)c3cccc4nsnc34)ccc2N1 19079240 YPNLVTXAIWCISH-UHFFFAOYSA-N 361.404 2.344 0 40 FEAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H](CO)C1 72484470 NQJSRTWNLASYEH-CYBMUJFWSA-N 354.834 2.068 0 40 FEAB CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(I)c1 95426670 SKXNEVSGNXOHIE-LDYMZIIASA-N 365.236 2.133 0 40 FEAB Cc1sc(Br)cc1S(=O)(=O)NCc1ccnn1C 88289133 QBHFTXHTISRPSS-UHFFFAOYSA-N 350.263 2.031 0 40 FEAB CN1C[C@@H](NC(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccn2)no1 20464044 NPEKASMVTPZEGE-RDJZCZTQSA-N 363.421 2.236 0 40 FEAB biogenic,in-vitro CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 409196249 YATPKSSELNJBMD-UHFFFAOYSA-N 354.472 2.201 0 40 FEAB C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 408708051 GIHSPQKHSJEENY-CQSZACIVSA-N 365.433 2.437 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@@H]2CCOC2)on1 504541350 HDHHTGMIPLWYMN-PMPSAXMXSA-N 353.438 2.171 0 40 FEAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 306124652 BVUPKIIQCOLVGR-IAGOWNOFSA-N 353.470 2.029 0 40 FEAB CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(C(N)=O)cc3)nn12 524734723 HQBOCLCWKRGNMJ-UHFFFAOYSA-N 370.438 2.077 0 40 FEAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218600273 FZAWCYLHPHPMGY-YESZJQIVSA-N 369.845 2.356 0 40 FEAB O=C(c1cc[nH]n1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355190 VXTWOFQIAXICJZ-INIZCTEOSA-N 353.470 2.364 0 40 FEAB COC(=O)Cn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O 71282624 HZLNEANMXZCDHK-UHFFFAOYSA-N 358.423 2.088 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1 72240452 ZJLMAPZGAYJMGK-UHFFFAOYSA-N 358.461 2.453 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(COC)c2)ccc1OC 224222170 QFMPCNUVVDSCJQ-UHFFFAOYSA-N 364.423 2.002 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(F)cc2F)n1 224181617 YTCKSCGDLZVHSB-UHFFFAOYSA-N 363.368 2.222 0 40 FEAB CN1CCN(CCCCNC(=O)c2cc(Br)ccc2F)CC1 41349701 CMLNSFZUDUZQJQ-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)NC[C@](C)(O)c3ccc(F)cc3)c2n1 89253039 JRGNBGZRAZYJBJ-IBGZPJMESA-N 356.401 2.431 0 40 FEAB CC(=O)N[C@@H]1CCN(S(=O)(=O)c2c(C)sc3c(C)cccc23)C1 331511295 CXSQCJGUSGPWTN-CYBMUJFWSA-N 352.481 2.417 0 40 FEAB CCCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)[nH]n1 97110948 UTSFTWVJVKEJLO-UHFFFAOYSA-N 350.444 2.173 0 40 FEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)CC(C)(C)C)COC1 96112508 OCUSKMNUEDKBMC-ZDUSSCGKSA-N 359.426 2.447 0 40 FEAB biogenic,in-vitro COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)cc1 96101509 QKTAPKKXYVLSKI-HNNXBMFYSA-N 356.426 2.142 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 96249718 NGRJYCYWSULGNY-IEBWSBKVSA-N 355.438 2.346 0 40 FEAB O=C(NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)c1ccccc1 96206037 YYDZFPIPIXXZRU-YLJYHZDGSA-N 352.438 2.425 0 40 FEAB O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 257216977 CWYSHMYUHFQGKE-GFCCVEGCSA-N 367.438 2.487 0 40 FEAB CN(C(=O)c1cc2c(nc1O)CCC2)[C@H]1CCCN(c2ccccn2)C1 257283828 OZZVTFZLHLMVOL-HNNXBMFYSA-N 352.438 2.412 0 40 FEAB NC(=O)c1n[nH]c2ccc(NC(=O)Cc3ccc4c(c3)CCCO4)cc12 1160996712 ABJUOZZWNMWJIE-UHFFFAOYSA-N 350.378 2.168 0 40 FEAB CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13C[C@H]1CC[C@@H]([C@@H]23)N1C 1776005587 KQEZNLIJCHQXTO-YLGFBDJUSA-N 357.454 2.361 0 40 FEAB Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C(=O)O)nc1 606237996 YGNWGBGZCXNUHX-UHFFFAOYSA-N 355.394 2.173 0 40 FEAB Cc1ccc(OCc2nnc3n2CCN(C(=O)c2ccco2)[C@H]3C)cn1 585097815 QVRLXNQJVBVSBA-ZDUSSCGKSA-N 353.382 2.371 0 40 FEAB NC(=O)c1cccc2c1CCN(C(=O)Nc1cnc(CC3CC3)nc1)C2 585101426 LUPZDIQMULLLCN-UHFFFAOYSA-N 351.410 2.118 0 40 FEAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(C(N)=O)c3)c(C)n2n1 46771598 UXPQPQACCKFWLN-UHFFFAOYSA-N 351.410 2.325 0 40 FEAB NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)Cc1cccc(F)c1 58332953 JXHNFMGUDBAAAP-SFHVURJKSA-N 355.413 2.457 0 40 FEAB COc1cccc([C@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)c1 56310440 FYQKKPSIGTYJOW-QGZVFWFLSA-N 357.410 2.451 0 40 FEAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 57463163 AQZLDJWNNSHLPH-HNNXBMFYSA-N 374.466 2.082 0 40 FEAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccncc1F 78088475 GIBXXBASUMBMAR-UHFFFAOYSA-N 353.350 2.152 0 40 FEAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 5050759 IMLVONMJPGQBLU-OZVVPTBGSA-N 351.189 2.445 0 40 FEAB CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 11615468 QXFMUWMAWLHOAC-UHFFFAOYSA-N 361.423 2.077 0 40 FEAB COc1ccccc1NC(=O)Cn1nc(C)n2c(cc3occc32)c1=O 12115418 QIFKDONXWUYOJA-UHFFFAOYSA-N 352.350 2.198 0 40 FEAB Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19238464 XJOKCOHXJNLMPC-GOSISDBHSA-N 368.485 2.113 0 40 FEAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19375765 GKFWUQQKCZBVIT-KGLIPLIRSA-N 352.438 2.280 0 40 FEAB Cc1cc(O)ncc1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 501603733 PCJHUUKWLSKNSA-HKUYNNGSSA-N 355.438 2.240 0 40 FEAB CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 2169806 YCYXUKRYYSXSLJ-JKSUJKDBSA-N 362.426 2.403 0 40 FEAB CC(=O)N1CCN(Cc2cccc(-c3ccc(CC(N)=O)cc3)c2)CC1 629761632 GDJFMRXIAZOQAC-UHFFFAOYSA-N 351.450 2.046 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@H]4C3)n1)CCC2 1888876416 IASZJEJEBKRBIP-GASCZTMLSA-N 355.486 2.294 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4cncc(C)n4)CC3)cnc2c1 1889151756 ZGWYJHZTVAGYJO-UHFFFAOYSA-N 365.437 2.420 0 40 FEAB O=S(=O)(CCOc1ccccc1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889205712 XFQRLQGYRXABMC-FUHWJXTLSA-N 373.478 2.001 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 23381513 VAZJYJUISBMXJC-OXJNMPFZSA-N 356.470 2.267 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)c(C)n1 2037908972 JBWJCPSJPMBLRQ-IBGZPJMESA-N 361.417 2.397 0 40 FEAB Cc1ncnc(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)c1C 1565546504 DHXPRJMFENKYPU-HXUWFJFHSA-N 365.437 2.148 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4497712 DPPKPFMSDCYHND-INIZCTEOSA-N 372.446 2.281 0 40 FEAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1 5051622 ZDXWENNHTOBFEW-UHFFFAOYSA-N 357.805 2.132 0 40 FEAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc2c(c1)OCO2 9660804 XFLVZQVLNWQWON-UHFFFAOYSA-N 363.373 2.069 0 40 FEAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3nc(C)cs3)cn2)cc1 13807254 YFUUCGZXADTQOC-UHFFFAOYSA-N 356.407 2.323 0 40 FEAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1c(F)cccc1F 23127813 LQRCGCRIPVBUNX-MRXNPFEDSA-N 360.360 2.295 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 38678115 FESZPIAMEWGQSP-UHFFFAOYSA-N 360.435 2.321 0 40 FEAB O=C1CN(C2CCN(c3ncc(F)cn3)CC2)C(=O)N1c1ccccc1 2298050217 SXECPWNIGWSDQV-UHFFFAOYSA-N 355.373 2.053 0 40 FEAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC1CCCC1 2298107055 JYFBUCWOOAWRHH-AWEZNQCLSA-N 357.445 2.015 0 40 FEAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1 4087125 UUAGASFUNCUICZ-UHFFFAOYSA-N 359.451 2.486 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1 20025833 PETTUSLHKJQRDZ-AVGNSLFASA-N 359.426 2.391 0 40 FEAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 30521825 FRZQWDYTIORASI-UHFFFAOYSA-N 361.419 2.497 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 32443505 PPOCILHACNWEOW-LLVKDONJSA-N 367.393 2.089 0 40 FEAB COc1ccc(OC)c(NC(=O)COc2cc(C)nc(N3CCCC3)n2)c1 21360521 JERUMTLUNLRCJA-UHFFFAOYSA-N 372.425 2.420 0 40 FEAB CC(=O)c1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n(C)c1 52990436 HDBKQSHLRQEPNE-UHFFFAOYSA-N 366.421 2.348 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c(C)c1 23387628 ZSOKFXKYHMZWNR-IBGZPJMESA-N 374.506 2.343 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 23388068 MLFQAVLHEPBDRT-IBGZPJMESA-N 374.506 2.343 0 40 FEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1F 794845 NZAYUWQDZSVJOS-UHFFFAOYSA-N 355.329 2.155 0 40 FEAB Cc1nc(C2CCCC2)sc1C(=O)N1CCCN(S(C)(=O)=O)CC1 79451203 KEOFWZWPQJVVIH-UHFFFAOYSA-N 371.528 2.217 0 40 FEAB Cc1noc(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 24670679 NKRQCIMQWYNNBW-LBPRGKRZSA-N 356.426 2.487 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)c1coc(=O)c(Br)c1 1245450 RERPQQDZMGYCNK-UHFFFAOYSA-N 352.140 2.061 0 40 FEAB O=C(NCCc1nnc2ccccn12)Nc1nnc(-c2ccccn2)s1 47789936 DBZBNTGAZXUZPY-UHFFFAOYSA-N 366.410 2.007 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 25913015 WIWICCVEFLZUOJ-CYBMUJFWSA-N 361.419 2.050 0 40 FEAB CC(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 23055166 KCHOCZHQFBYYIW-CQSZACIVSA-N 361.442 2.073 0 40 FEAB C[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 58283096 QCTBDMHICNWLQF-DINDLPBHSA-N 353.378 2.262 0 40 FEAB CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)c1 58246424 HWDZHCRWLPAEFM-QGZVFWFLSA-N 358.463 2.224 0 40 FEAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccn(Cc2cccnc2)n1 58223172 BCVCBKJECLXHQC-GFCCVEGCSA-N 355.423 2.145 0 40 FEAB O=C(NCCN1CCc2sccc2C1)N[C@@H]1c2ccccc2C[C@@H]1O 97216196 GHSVMKRRBXLFMD-FUHWJXTLSA-N 357.479 2.064 0 40 FEAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)c1 58341842 HYEUMGXUCHTAIL-UHFFFAOYSA-N 367.453 2.342 0 40 FEAB COc1ccc(NC(=O)CN2CCC[C@H]2C(=O)NC2CC2)cc1Cl 45096560 UKRWEGMNFWLRIX-AWEZNQCLSA-N 351.834 2.030 0 40 FEAB C[C@@H]1CC(=O)c2c(OC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc(F)c21 101230451 JLCIYMVLRDVXBE-WOPDTQHZSA-N 371.364 2.372 0 40 FEAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 12526115 PGBYXYVJHKESCW-UHFFFAOYSA-N 368.480 2.368 0 40 FEAB COc1ccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20449964 LEWLALQDNQSCHD-ZHACJKMWSA-N 364.423 2.332 0 40 FEAB CCOC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533743 UNTPSIYMJGNBAD-MRXNPFEDSA-N 374.238 2.468 0 40 FEAB O=C(O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 106765330 WSLUAYZNFHVFAX-LCYFTJDESA-N 360.391 2.044 0 40 FEAB O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1 102957872 PNDPTEHDMOMJMM-UHFFFAOYSA-N 368.732 2.276 0 40 FEAB CC(C)CN1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 48325995 JFQBLTNIYZRVON-MRXNPFEDSA-N 361.486 2.368 0 40 FEAB Cc1csc2nc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n12 12910134 STDJAWFMAAJMPN-UHFFFAOYSA-N 368.462 2.328 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1F 23878310 YDYGNDKJNOSRGZ-BPNCWPANSA-N 350.365 2.317 0 40 FEAB CCN(C(=O)CSc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 5034970 SILWSGUBIBSQCH-LLVKDONJSA-N 370.521 2.424 0 40 FEAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCC(F)(F)CC1 306136622 PYRXUCXSNDAQBL-MRXNPFEDSA-N 368.428 2.067 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@@H]2C(C)C)cc1 4778667 CVMASGIPFKIXST-ZDUSSCGKSA-N 364.389 2.372 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)Cn2ncc(=O)c3ccccc32)c1 7251548 GWKKAWAAADAIRQ-UHFFFAOYSA-N 351.362 2.130 0 40 FEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 7251134 DSPJODAHAGUZCE-ZDUSSCGKSA-N 366.377 2.489 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCCO3)c(C)o1 81729748 AFAQETJSMIQGJX-UHFFFAOYSA-N 350.396 2.073 0 40 FEAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1Cc1ccco1 8565522 RJJGXHMOBLNAQX-UHFFFAOYSA-N 358.423 2.387 0 40 FEAB COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)cc1F 9833993 BIDVZKXTNPPMNL-UHFFFAOYSA-N 359.401 2.292 0 40 FEAB CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 8735032 LAWMSWCZYFJEGA-UHFFFAOYSA-N 374.466 2.305 0 40 FEAB CC(C)=CC(=O)NCc1ccc(S(=O)(=O)N(C)C(=O)C=C(C)C)s1 95946496 YXQIXEQAXWYHAE-UHFFFAOYSA-N 370.496 2.444 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cnccn2)C1 29755832 CVKIGMUBKPGROU-INIZCTEOSA-N 367.453 2.168 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)C2)c2ccc(F)cc2n1 1549998894 YDSYMXKHDWYCBD-MRXNPFEDSA-N 356.445 2.144 0 40 FEAB O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@@H]2CCOC[C@H]2C1 1553251020 ZTHRFCBSBPKCPC-JKSUJKDBSA-N 353.422 2.189 0 40 FEAB Cc1nc2c(C(=O)O)nc(-c3ccco3)cc2n1[C@H]1CCS(=O)(=O)C1 35682604 APIKYEJOFMEHDC-JTQLQIEISA-N 361.379 2.058 0 40 FEAB O=C(c1cccs1)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337607 AFYNTGHSEHIZFF-UHFFFAOYSA-N 361.452 2.029 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1N1CCCC1 217628109 GJZBPTUCIOQQGJ-UHFFFAOYSA-N 350.396 2.057 0 40 FEAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NC3CC3)n2)cc1 32097452 YIEGTCXHNRNJKA-UHFFFAOYSA-N 367.361 2.469 0 40 FEAB Cc1ccccc1S(=O)(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 559962371 QZPFEPQRPAXULW-UHFFFAOYSA-N 357.439 2.443 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H]1Cc2ccccc2CO1 225785389 LUHGNAGZFUCOOF-QGZVFWFLSA-N 359.447 2.108 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)c2ccccc2O1 225891208 DUHHLMAENITSIV-KRWDZBQOSA-N 351.362 2.154 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccccc2)s1 222815161 YMOYHNODFSJFSG-UHFFFAOYSA-N 354.457 2.097 0 40 FEAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 195550505 XKHWJGLNAIBAQI-WVGQAWGZSA-N 358.785 2.382 0 40 FEAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 223275910 LPVOYUXWBGXLHU-UHFFFAOYSA-N 354.815 2.266 0 40 FEAB CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108576 JGHKYPXEPZHSLL-XUVXKRRUSA-N 356.470 2.408 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CCN(C(=O)c1cscn1)C2 96046551 KKSIBFDJXHXJEP-UHFFFAOYSA-N 356.451 2.307 0 40 FEAB O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 96209211 ZFSAFXMUIXBCNW-OAHLLOKOSA-N 352.394 2.151 0 40 FEAB NC(=O)C1CCN(C2CN(C(=O)c3ccc(-c4ccsc4)cc3)C2)CC1 239846251 KZWYXEYPDWIQCM-UHFFFAOYSA-N 369.490 2.437 0 40 FEAB COc1ccc(CCc2n[nH]c(NC(=O)c3cccnc3)n2)cc1OC 95479046 LJJTZANFOVQQFP-UHFFFAOYSA-N 353.382 2.254 0 40 FEAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1 96226120 ZKEIIVJXBQLPFI-LJQANCHMSA-N 351.410 2.145 0 40 FEAB CN1CCN(c2ccc(F)cc2C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 585080045 LTEJHECOIORXPE-KRWDZBQOSA-N 371.460 2.118 0 40 FEAB COc1ccc(CC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)cc1 257297811 RIWMFQRQWUWIDF-SFHVURJKSA-N 354.454 2.419 0 40 FEAB CCN1CCN(c2cc(CNC(=O)c3cc(C)ccc3O)ccn2)CC1 64418354 LOROOOVCFYVYNG-UHFFFAOYSA-N 354.454 2.168 0 40 FEAB Cc1cc(-c2nccn2C)nc(CC2CCN(Cc3cnccn3)CC2)n1 257341994 ZMQSFPMXSYFDDE-UHFFFAOYSA-N 363.469 2.430 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cn1 257244231 IKLPECPQHIKRHW-QGZVFWFLSA-N 354.410 2.099 0 40 FEAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)Cn3ccnc3)C2)n1 257296681 RDWUIVVZQSPOLT-OAHLLOKOSA-N 366.425 2.036 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257312838 UPTUPCOEOPPWQO-KRWDZBQOSA-N 352.442 2.326 0 40 FEAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260903638 PRHFBTKDEQVBKD-CQSZACIVSA-N 356.488 2.401 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 629265371 PORQAJSZYXHZKM-OXJNMPFZSA-N 365.437 2.422 0 40 FEAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(CC(F)(F)F)cc3)C[C@@H]12 639320850 PDVHSMFPKFEMEM-ZNMIVQPWSA-N 363.401 2.035 0 40 FEAB Cc1ccccc1C1(C(=O)N2CCC[C@](O)(CC(N)=O)C2)CCCCC1 644006671 NVAIVUMMYBTLGW-FQEVSTJZSA-N 358.482 2.426 0 40 FEAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N3CC(F)(F)C3)C2)c1 575404945 FWTSACSTSSBBDE-MRXNPFEDSA-N 374.391 2.256 0 40 FEAB CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 40090788 ALLJAEVEYVMQPY-INIZCTEOSA-N 366.527 2.314 0 40 FEAB Cc1cc2ccc(C(=O)NCc3cccc(N4CCOCC4)n3)cn2c1 673090988 YRXGLHYKLBYEPA-UHFFFAOYSA-N 350.422 2.409 0 40 FEAB CC[S@@](=O)c1ccccc1C(=O)NCc1nnc(S)n1C(C)C 108898841 XUNQLXYEDXUDRR-QHCPKHFHSA-N 352.485 2.205 0 40 FEAB Cc1ccc2oc(=O)n(CC(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)c2c1 12204884 DIXHSLIABYZPGX-HZPDHXFCSA-N 359.470 2.387 0 40 FEAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 12365336 VMDBGKFKXJFKOS-NRFANRHFSA-N 365.433 2.498 0 40 FEAB O=C(Cc1ccccc1)NC[C@H](C(=O)O)N1CCCC[C@H]1c1cccnc1 13003078 KSYSDRSDSATWKN-RBUKOAKNSA-N 367.449 2.421 0 40 FEAB biogenic CC1=C[C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccc(C)cc21 13654751 BPTCTABPBNGSGB-NCOADZHNSA-N 352.434 2.473 0 40 FEAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15437778 WTUSADSNSYCERS-UHFFFAOYSA-N 362.451 2.278 0 40 FEAB CCCc1nn2c(=O)cc(COC(=O)c3ccc(OC)cc3)nc2s1 15734271 LAFILEUNWVCWJP-UHFFFAOYSA-N 359.407 2.469 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C 5212062 BEJMMMARQDFNPG-GWCFXTLKSA-N 350.415 2.270 0 40 FEAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)ncnc21 1888910665 MJRCSSMVIDEYCI-HOTGVXAUSA-N 362.437 2.055 0 40 FEAB O=S(=O)(NC[C@@]1(O)CSCc2ccccc21)c1c(F)cccc1F 2087165807 TWQDZOJVZLRDIK-MRXNPFEDSA-N 371.430 2.378 0 40 FEAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)c1cc[nH]c1)CCO2 1565546240 XEYOMDFLWSZMRF-IBGZPJMESA-N 358.442 2.127 0 40 FEAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)c1csc(C)n1)C2 1565546115 UJOVUSNCCIRSJG-UHFFFAOYSA-N 374.466 2.288 0 40 FEAB CCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1 4166925 URBUVJOLJHXGAP-UHFFFAOYSA-N 356.469 2.309 0 40 FEAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21 12237647 YVOIITKWLZTDNR-UHFFFAOYSA-N 365.437 2.340 0 40 FEAB COC(=O)c1cn(CC(=O)NCCCn2nc(C)cc2C)c2ccccc12 20918945 XFNUUJFPNJNTAH-UHFFFAOYSA-N 368.437 2.448 0 40 FEAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 32598894 KSABTCCKERDLIG-MDZDMXLPSA-N 357.391 2.155 0 40 FEAB COc1ccc2cc(CCNS(=O)(=O)c3cccc(C)c3)c(=O)[nH]c2c1 41170106 OAABGZIURVYZMU-UHFFFAOYSA-N 372.446 2.366 0 40 FEAB CC1(C)NC(=O)N(CCCN(Cc2cccs2)C[C@@H]2CCCO2)C1=O 41626457 ODSMLIMVXVQUER-AWEZNQCLSA-N 365.499 2.450 0 40 FEAB COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cc2c1 860513 CWQUBKLMINJBAS-UHFFFAOYSA-N 365.389 2.159 0 40 FEAB CCOC(=O)c1cnn(-c2nc(C)nc3c2cnn3-c2ccccc2)c1N 940893 XKAUKOFUOHYENK-UHFFFAOYSA-N 363.381 2.069 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 1075071 FCVVVBXZMNMWDO-UHFFFAOYSA-N 364.379 2.072 0 40 FEAB C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCO2 7268820 IQWBETPMZXAOKQ-LBPRGKRZSA-N 351.362 2.003 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCCC1 7365798 CEYWAFODXVOQQJ-UHFFFAOYSA-N 373.478 2.495 0 40 FEAB COCCCNC(=O)[C@H](C)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 56177443 XDMDGLBYVDPXGP-ZNMIVQPWSA-N 367.465 2.392 0 40 FEAB CCCc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cs1 26041149 UVXMMFRBGXFBEQ-UHFFFAOYSA-N 367.496 2.090 0 40 FEAB CC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CCN1C[C@H](C)O 107510244 WPLPWEWYSRKVMJ-WFASDCNBSA-N 366.437 2.093 0 40 FEAB COc1ccc(CN(C)Cc2nn3c(=O)cc(C)nc3s2)cc1OC 57752856 LGHCGCAEHCXAAC-UHFFFAOYSA-N 360.439 2.109 0 40 FEAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NC2CCCC2)cc1 51319361 BFKMVXXLTYBCHS-UHFFFAOYSA-N 371.437 2.198 0 40 FEAB CCCCNC(=O)CN1CCN(Cc2ccccc2Br)CC1 23288375 TZRJRZZIRVBCEE-UHFFFAOYSA-N 368.319 2.483 0 40 FEAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNS(C)(=O)=O 58229080 BYRUCWWGWPMIMZ-VIFPVBQESA-N 353.271 2.452 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)COc2cccc(C)c2)cc1 10366365 LMUORJTUDYRKCT-UHFFFAOYSA-N 357.406 2.285 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc[nH]n2)c2ccccn2)CC1 100750329 HNQYKAKMJGOINT-DAYGRLMNSA-N 355.442 2.218 0 40 FEAB COc1ccc(/C=C/C(=O)OCn2nnc3ccccc3c2=O)c(OC)c1 3254972 UUCTZPKXHSUNOI-CSKARUKUSA-N 367.361 2.023 0 40 FEAB CC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 29435921 STCSHICDMYJFEK-UHFFFAOYSA-N 361.423 2.254 0 40 FEAB COCc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1 46154859 FNSKMAXFGIRIDD-UHFFFAOYSA-N 361.486 2.087 0 40 FEAB O=C(O)[C@@H]1[C@@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2583056 NQSYYVTUCHIRTM-ROUUACIJSA-N 353.374 2.455 0 40 FEAB O=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCOCC1 2890871 MZQHWFPJPSJVSQ-UHFFFAOYSA-N 364.398 2.099 0 40 FEAB CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 12778286 QLWKRANHXMCSKM-GOSISDBHSA-N 358.463 2.219 0 40 FEAB O=C(O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12769365 KEUKFUPPTMOZGY-UHFFFAOYSA-N 353.318 2.071 0 40 FEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC1CCCCC1 3329569 LOCPGMLCAVSKAB-QGZVFWFLSA-N 368.437 2.080 0 40 FEAB Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1NS(C)(=O)=O 10112894 NTRWULMOKMWQPL-UHFFFAOYSA-N 362.407 2.025 0 40 FEAB Cc1csc(=O)n1CC(=O)NCCc1ccc(Br)s1 10502489 AMSQZOSCMVDTOI-UHFFFAOYSA-N 361.286 2.401 0 40 FEAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 27862434 RWPJSTWCXYOAPS-UHFFFAOYSA-N 367.449 2.400 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)CCNC(=O)c3ccsc3)cc2NC1=O 12921346 NRIASYIKMBOBLR-JTQLQIEISA-N 359.407 2.226 0 40 FEAB CCn1nc(C(=O)OCc2ccc(C(=O)OC)o2)c2ccccc2c1=O 4325970 RUWZYIBIUZPUSN-UHFFFAOYSA-N 356.334 2.153 0 40 FEAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Cl)cc2)o1 4488476 ZGZQYOBYPDQGQR-UHFFFAOYSA-N 361.789 2.085 0 40 FEAB O=C(Nc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1)C1CC1 14168669 DRDGDPNQWXDWTD-GOSISDBHSA-N 352.390 2.491 0 40 FEAB CC[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14197613 ONKRFHBTJWQGEU-LLVKDONJSA-N 360.863 2.346 0 40 FEAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCc2sccc2C1 14159061 ZXCLJBGQPSMVDY-UHFFFAOYSA-N 350.827 2.464 0 40 FEAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)N1CCOCC1 14141652 YOHMGADYRPVTOB-NTYUQYKDSA-N 362.430 2.454 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccco2)oc(C)c1C(C)=O 5457604 QQAXUYDRWIBIDO-UHFFFAOYSA-N 363.322 2.356 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccccc2F)C1=O 8159110 BYYIXBDLMZVIFZ-IBGZPJMESA-N 355.369 2.257 0 40 FEAB COc1ccc(C)cc1NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 17058963 RUBVTIKMJYVYFR-UHFFFAOYSA-N 368.393 2.110 0 40 FEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCNC(=O)OC(C)(C)C)c12 69590148 UHULPTLMNVZQEB-UHFFFAOYSA-N 373.457 2.409 0 40 FEAB COCCn1nc(C)c(NC(=O)C(=O)Nc2cc(F)c(F)cc2F)c1C 84013949 JGOZJOJUAXVRRL-UHFFFAOYSA-N 370.331 2.141 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1CC 97021872 HIZAFIQSBSMKRY-SFHVURJKSA-N 363.483 2.307 0 40 FEAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)nn(C)c1C 89942264 NZRCNRYTYIVYHX-LLVKDONJSA-N 359.492 2.168 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 408597700 VXULDVUUOAKRIB-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(O)nc2c1 524731916 OZOHBKJFKISAMU-ZDUSSCGKSA-N 366.373 2.397 0 40 FEAB biogenic C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCOc1ccccc1)C2=O 39998473 JHLMUBNYENXLDZ-MGPUTAFESA-N 373.453 2.072 0 40 FEAB COc1cccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)n1 77266696 KHLOCHCDDLKPQH-GOSISDBHSA-N 370.428 2.351 0 40 FEAB biogenic,in-vitro O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218429079 CEIGEEVEAUKEIG-YQQAZPJKSA-N 366.822 2.343 0 40 FEAB C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1cc(Cl)ccc1OCC(N)=O 71415692 MJSJQXYHAVXRLQ-QMMMGPOBSA-N 358.785 2.311 0 40 FEAB O=C(O)CCc1cnc(COc2c(F)c(F)c(F)c(F)c2F)[nH]c1=O 223445744 LHRUHDNZUILJAE-UHFFFAOYSA-N 364.226 2.062 0 40 FEAB Cc1cc(-c2noc(CNC(=O)c3cc(-c4cccs4)n[nH]3)n2)no1 225811720 SHWMMANZZBQPMB-UHFFFAOYSA-N 356.367 2.415 0 40 FEAB C[C@@]1(C(=O)N2CCCCC2)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084789 BGQHSFBEXKHPHB-IBGZPJMESA-N 357.458 2.363 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2ccoc2C2CC2)C1 583619211 VDWQKUNJHTVOMJ-OCCSQVGLSA-N 353.382 2.197 0 40 FEAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 96183050 DQCIXGWBAQMBNG-ZDUSSCGKSA-N 366.483 2.178 0 40 FEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 96006252 MWLOMEODXVISNB-GJZGRUSLSA-N 367.515 2.156 0 40 FEAB COc1ccc(CN2CCC3(CC2)C[C@@H](N2CCN(C)CC2)CO3)cc1 96048848 DAKDBSZSXOOEKK-LJQANCHMSA-N 359.514 2.066 0 40 FEAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221099 HSGISLIDWRINCP-OAHLLOKOSA-N 369.421 2.177 0 40 FEAB Cc1ccc(N2CC[C@]3(CN(C(=O)NC4CC4)CCC3(F)F)C2)nn1 96239772 ASWFVEODTYMWQZ-MRXNPFEDSA-N 351.401 2.195 0 40 FEAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1=CCCCC1)C2 96039588 LENVXRIJQVSSEP-ICSRJNTNSA-N 350.503 2.463 0 40 FEAB Cn1cc(N2CCC[C@@H](N3CC[C@@]4(C3)OCc3ccccc34)C2=O)cn1 248689376 IGDGNDPDNHVXLZ-QUCCMNQESA-N 352.438 2.047 0 40 FEAB COc1ccc(CCNC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 242896506 GPBDKHBESABKLA-UHFFFAOYSA-N 360.841 2.366 0 40 FEAB Nc1cc(CC[C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)ccn1 257240523 HTXVYJFTOYPNCT-KRWDZBQOSA-N 359.401 2.042 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)CCCn3cccn3)CC2)cn1 257266656 MDYAIKXYSSLULG-INIZCTEOSA-N 356.474 2.366 0 40 FEAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)ncn1 257208072 BKPPIHFVHPAUTD-LBPRGKRZSA-N 374.391 2.209 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)CCCn3cccn3)CC2)cn1 257266657 MDYAIKXYSSLULG-MRXNPFEDSA-N 356.474 2.366 0 40 FEAB NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516392 SIKQPQOTOFKFHB-ZACQAIPSSA-N 351.855 2.217 0 40 FEAB COc1ccccc1C(=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 370691285 UJUJBDBQXYGEOA-SNVBAGLBSA-N 354.332 2.341 0 40 FEAB O=C(CN1CCN(c2ncccc2C(=O)O)CC1)Nc1ccc(Cl)cc1 647447625 ROCIHBWOIMKRQM-UHFFFAOYSA-N 374.828 2.194 0 40 FEAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCCC[C@@H]1CO 677573466 GVLJKBUKYJKUMV-JCNKGUOZSA-N 362.514 2.376 0 40 FEAB COCc1ccccc1CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C 1775959566 GTERKSSJPIYUPA-RDJZCZTQSA-N 357.410 2.131 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 298204942 LORBSOSMCWAVFC-UONOGXRCSA-N 362.451 2.239 0 40 FEAB O=C(O)COc1ccc(CN2CC[C@](O)(COc3ccccc3)C2)cc1 585272140 LLLLIVFFLRZHRH-HXUWFJFHSA-N 357.406 2.166 0 40 FEAB CCN(C1CCN(C(=O)NCc2ccccc2Cl)CC1)S(C)(=O)=O 66907279 GCDRJDRSCXNOLP-UHFFFAOYSA-N 373.906 2.296 0 40 FEAB Cc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 59004570 AVPQXNIUQRAYEN-MJGOQNOKSA-N 371.408 2.382 0 40 FEAB Cn1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 75045336 QTPXBVVMQWJTAI-UHFFFAOYSA-N 350.422 2.034 0 40 FEAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(CO)cc1 1639183096 BKKAWCHDEYDRKT-UHFFFAOYSA-N 368.414 2.480 0 40 FEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCO2 11378107 HIPDPULTOXRMOF-UHFFFAOYSA-N 352.730 2.469 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc21 15563723 QWMGYKASXNCKKE-AWEZNQCLSA-N 365.433 2.461 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccn4)C3)ncc2C1 19018417 MGYKYQHYYIUXKX-INIZCTEOSA-N 351.454 2.156 0 40 FEAB Cc1ccsc1CN1CCC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 19238633 OJPMARISDAMWOM-OAHLLOKOSA-N 374.510 2.356 0 40 FEAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)C2CCCC2)CC1 19289002 NFUDMJZVWKXBJM-UHFFFAOYSA-N 353.470 2.317 0 40 FEAB CCc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1C 19521589 QLBNEQOAELJNDD-INIZCTEOSA-N 370.453 2.177 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2C)CC3)C1 19709480 ZUOHMHIISLYWNH-LJQANCHMSA-N 367.497 2.371 0 40 FEAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCCO2)NCc1ccccc1 5308427 ZMLDUURTMBNJKP-VQHVLOKHSA-N 353.374 2.331 0 40 FEAB Cc1ccc(NCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)C 5636777 OQGDYQHMRMOHFU-UHFFFAOYSA-N 373.478 2.247 0 40 FEAB Cc1nc(C)c(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)s1 1888850410 NGDDKWIAKIVTQG-HZPDHXFCSA-N 355.463 2.377 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2Br)C1)C1CC1 1889139072 REUSBVUNZLPRGM-CYBMUJFWSA-N 373.316 2.495 0 40 FEAB CCn1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cn1 2037908886 DNEDJEBRPNLZAX-LJQANCHMSA-N 361.417 2.478 0 40 FEAB O=C(c1cocn1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984135 RMOXDBLUMWYKHN-LJQANCHMSA-N 355.394 2.103 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4cc[nH]c4)C[C@H]32)CC1 1565545856 MVQNERJTCLATHX-RDJZCZTQSA-N 351.454 2.453 0 40 FEAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C)c3C)c2=O)c1 2973273 RTXSWILRBYASFF-UHFFFAOYSA-N 365.389 2.404 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O 4370552 XCYMQBJGXYRCPR-UHFFFAOYSA-N 369.400 2.305 0 40 FEAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)CC2 2055732737 WWMYDHXWLHGUHA-LBPRGKRZSA-N 369.874 2.225 0 40 FEAB CSc1nc(C)c(C)c(N2CCN(c3ccc(=O)n(C(C)C)n3)CC2)n1 2298032372 BARQDTKGLHGDLH-UHFFFAOYSA-N 374.514 2.280 0 40 FEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)CCCc2ccccc2)CC1 40107452 BYQAIYGWWSVMAZ-UHFFFAOYSA-N 359.514 2.458 0 40 FEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(OC(F)F)c1)CS2 50378958 PHBRRTUYPBMWLD-WBMJQRKESA-N 356.394 2.358 0 40 FEAB Cc1nnc2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn12 20733423 AOHHHWJQRLXCHT-UHFFFAOYSA-N 368.416 2.105 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)CCC(=O)N2 32836591 YCNNCASDQJTRPV-OAHLLOKOSA-N 352.390 2.483 0 40 FEAB O=C1N[C@H](c2ccccn2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 33573576 GYLRWBUJBMENNA-JTNHKYCSSA-N 371.340 2.247 0 40 FEAB COc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)O)cc1 953563 OZNOLZBABTUUMX-UHFFFAOYSA-N 351.380 2.241 0 40 FEAB CCNC(=O)COc1cccc(NC(=O)N2CCC(CN(C)C)CC2)c1 47498469 FSPRJYVMLMICPY-UHFFFAOYSA-N 362.474 2.007 0 40 FEAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCCC1 2460260 YQUMBUGGIREQKL-OAHLLOKOSA-N 364.492 2.260 0 40 FEAB COc1ccc(CNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 3039270 SDTYJWWSUZHHJX-UHFFFAOYSA-N 357.439 2.158 0 40 FEAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccccc1Cl 4984966 BDJBBPQGNUCSHF-UHFFFAOYSA-N 371.784 2.162 0 40 FEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 7604497 QZGHGIWNFNMWOC-UHFFFAOYSA-N 360.863 2.076 0 40 FEAB COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 8117465 CPKDBCCYBYGUMF-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(C)cc(C)cc1C 26818975 PSLRAIHYOLIFPV-AWEZNQCLSA-N 357.497 2.281 0 40 FEAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NC[C@@H]4CCCO4)c3)C(=O)[C@@H]21 8470565 QICFCSVZIFAVFZ-XFKAJCMBSA-N 368.433 2.297 0 40 FEAB Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)cc1C 8476978 WPGJYKAVRJQSFJ-UHFFFAOYSA-N 354.385 2.412 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 8770941 YIHYBTGNOSXSSF-UHFFFAOYSA-N 363.373 2.093 0 40 FEAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 9303258 VZPFGJLFJNPDHJ-LWGWVAHUSA-N 353.403 2.068 0 40 FEAB O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1OC(F)F 10114155 DSSJDAFDLYQFNW-UHFFFAOYSA-N 352.312 2.473 0 40 FEAB COC(=O)c1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 27556235 MNHHFMSNLSMCTQ-LBPRGKRZSA-N 360.435 2.072 0 40 FEAB CCOC(=O)[C@@H]1CC(=O)[C@H](c2ccccc2N2CCN(C(=O)CC)CC2)C1 57327974 BWNSMLKZLGTWGD-RDJZCZTQSA-N 372.465 2.371 0 40 FEAB COc1ccc(OC)c(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 12521196 QEGUYJYCKUUASH-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB CC(=O)[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C(C)C 10743734 DGBWXMSKJNBGRY-GFCCVEGCSA-N 352.740 2.250 0 40 FEAB NC(=O)c1ccc(COC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 10738239 IPBOGHNUXIPEHJ-UHFFFAOYSA-N 361.781 2.496 0 40 FEAB O=C(Cn1ccccc1=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146234 DSZFGNNVAZEAQD-UHFFFAOYSA-N 351.362 2.010 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1 107630313 WBEKUTPRVWSBJA-UHFFFAOYSA-N 368.499 2.177 0 40 FEAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(Cc3ccccn3)cc2n(C)c1=O 12324895 GSLMGIQOKXDBOE-UHFFFAOYSA-N 364.380 2.288 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(C(F)(F)F)n1N 3292284 RHQSWDOGALTPJF-MRVPVSSYSA-N 357.361 2.081 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]c1=O 12853901 XUAOQOHNEPNRSS-UHFFFAOYSA-N 353.353 2.378 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3516130 KAYDZVDROHLYCT-UHFFFAOYSA-N 367.456 2.228 0 40 FEAB CCn1cc(CN2CC3(C[C@H](CCOc4nccc(C)n4)CCO3)C2)cn1 306142495 XASWVVAXFBPXQQ-QGZVFWFLSA-N 371.485 2.452 0 40 FEAB CCC[C@@H](NC(=O)CCC(=O)N1CCN(C(C)=O)CC1)c1ccccc1 39978564 XBFRRHZXARQGMY-GOSISDBHSA-N 359.470 2.115 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C 9337837 CMDSAFBCCNBTGV-UHFFFAOYSA-N 369.421 2.016 0 40 FEAB CCOc1ccc(OCCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 14153158 PPQNOVSTUUVTKA-UHFFFAOYSA-N 370.327 2.444 0 40 FEAB Cc1ccc(OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 4504969 BKIPZIVVCJKLAC-MRXNPFEDSA-N 353.484 2.354 0 40 FEAB C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCO1 14229719 ARBQBVGLAKOPLX-VLIAUNLRSA-N 353.422 2.285 0 40 FEAB O=C(O)COCC(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1 6662158 HRRBMGMWKUDUMS-UHFFFAOYSA-N 353.378 2.319 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@@H]1c1ccccc1 67615653 RFKZJXKPCBSTCV-CVEARBPZSA-N 370.453 2.096 0 40 FEAB C[C@@H](C(=O)N1CCOc2cc(F)ccc21)n1nnc(-c2ccccc2)n1 80366423 KDIGYDGNIOZNIS-LBPRGKRZSA-N 353.357 2.466 0 40 FEAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@](O)(C(F)(F)F)C1 81066467 YEFHFWYGATUFIK-AZYDAVPCSA-N 360.420 2.459 0 40 FEAB CC(C)NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)c1ccccc1 7923409 VEYKMPVIKQOLJW-UHFFFAOYSA-N 367.449 2.313 0 40 FEAB NC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 8131106 INOQORXATWSDBJ-ZDUSSCGKSA-N 357.435 2.338 0 40 FEAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1sccc1C(N)=O 8778437 OQSBFPOWBOEWQP-SSDOTTSWSA-N 354.334 2.309 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3nsnc23)n1 19078014 APPKDHATDOMVNE-UHFFFAOYSA-N 361.452 2.458 0 40 FEAB Cn1ncc(N2C[C@H](O)C[C@@H]2C2CCCCC2)c(Br)c1=O 74278027 GMSGUXZJKJQVPV-VXGBXAGGSA-N 356.264 2.063 0 40 FEAB O=C(NCc1ccccc1)c1cc(NCCCN2CCOCC2)ccn1 95958626 AEMQZPBLNBQBQV-UHFFFAOYSA-N 354.454 2.146 0 40 FEAB CC(C)(C)OC(=O)N(CC(=O)OCCCNC(N)=O)c1ccccc1 95997405 UXAAJRJULXRAON-UHFFFAOYSA-N 351.403 2.030 0 40 FEAB CCC[C@H]1N=c2s/c(=C\c3ccccc3)c(=O)n2C(C)=C1C(=O)OCC 408731897 QNQVEWBNTGXGTG-WMJYUBJYSA-N 370.474 2.335 0 40 FEAB O=C(/C=C/c1ccco1)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 75165284 AKZILVPLCOJGRP-ZHACJKMWSA-N 364.405 2.334 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O 77099303 LTAQLMPBGYMECS-LBPRGKRZSA-N 367.430 2.238 0 40 FEAB Cc1cccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44912447 URCDDFNDNJQOGB-SFHVURJKSA-N 374.462 2.229 0 40 FEAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)CCC1=O 225873466 MBQLWDMBHJOSBK-JTQLQIEISA-N 365.227 2.266 0 40 FEAB COc1ccc(-n2nnc(C(=O)O)c2CSc2ncccn2)c(C)c1 85398291 CZQXESBBMLPBAS-UHFFFAOYSA-N 357.395 2.365 0 40 FEAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 224216667 LGGHAJPUHLEISL-UHFFFAOYSA-N 366.343 2.262 0 40 FEAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc(F)c1 225652542 UPRACLCQUCCWQJ-UHFFFAOYSA-N 374.503 2.384 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ccnc4c3c(C)nn4C)CC2)c(C)o1 582115489 ZDIOPPKHCHALGX-UHFFFAOYSA-N 353.426 2.449 0 40 FEAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 96071522 ACGQFLKYAYTGOZ-GOSISDBHSA-N 350.484 2.036 0 40 FEAB O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COc2ccccn2)C1 96207133 BDSJHMXVASGZCQ-HNNXBMFYSA-N 352.394 2.151 0 40 FEAB COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)nc2ccccn2c1=O 96116736 SLZNMBKRXFMOLK-LLVKDONJSA-N 374.780 2.454 0 40 FEAB Cc1csc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)n1 247928394 BJWJWLYIZBFION-AWEZNQCLSA-N 367.540 2.150 0 40 FEAB Cc1cc2c(N3CCN(C(=O)OC[C@@H]4CCCO4)CC3)ncnc2s1 585082766 BMIMABSOFXXQRV-ZDUSSCGKSA-N 362.455 2.437 0 40 FEAB CC(=O)N1CCC(c2nccnc2CNC(=O)Cc2ccsc2)CC1 257275724 NQQISUQDTBKLQG-UHFFFAOYSA-N 358.467 2.123 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1)c1ccccc1 252492712 MTQDJWIFNCLYCN-IFXJQAMLSA-N 365.433 2.205 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)Cc3cccnc3)C2)n1 257287963 PSFLFMOBDWPWMX-MRXNPFEDSA-N 362.437 2.139 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCc2cccs2)n1 257212231 CCLGUEMYUGXNSJ-QGZVFWFLSA-N 358.467 2.471 0 40 FEAB Cc1cc(NC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)cc(C)c1Cl 263091817 SOKPEMOKMGFHJM-AWEZNQCLSA-N 369.849 2.206 0 40 FEAB CSCC1(CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 593036800 UJTWJVVHETVZEZ-UHFFFAOYSA-N 354.501 2.249 0 40 FEAB COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](C)C2)C1 1697213387 ROEZVUHOQARMRF-LSDHHAIUSA-N 361.490 2.175 0 40 FEAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccc3c(c2)OCO3)cc1F 90612658 WITXDHVXKBWDPM-OAHLLOKOSA-N 374.368 2.041 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CO)C(C)C)c(Cl)cc12 606440475 VZZZWWVILKWSDB-ZDUSSCGKSA-N 353.802 2.267 0 40 FEAB biogenic Cc1nnc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)s1 606443585 IBYFQRZVPYPQER-CQSZACIVSA-N 352.485 2.253 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@@H](O)Cn2ccc3ccccc32)C1 607737538 IFMBCKPKASNHBO-BHIYHBOVSA-N 363.461 2.283 0 40 FEAB O=C(NCc1cncc(N2CCCC2=O)c1)[C@@H]1CCc2ccccc2O1 575620129 QULDMICNXWDFAC-SFHVURJKSA-N 351.406 2.218 0 40 FEAB Cc1cccnc1CN1Cc2ccnn2CC[C@H]1CNC(=O)CC1CC1 585097828 RLVKHNLTTHLBFQ-KRWDZBQOSA-N 353.470 2.277 0 40 FEAB O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)c1cscn1 585112851 XGKNCZHUCZUJSX-ZDUSSCGKSA-N 357.439 2.310 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 57290130 RVRJBNWIZSADPH-MRXNPFEDSA-N 358.486 2.356 0 40 FEAB c1nc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)cc(C2CC2)n1 952987092 QMDDLYQQDBRDDF-UHFFFAOYSA-N 351.414 2.316 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615155423 HSNOPIUSGQXLQX-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB Cc1cc(CN2C(=O)CC3(CCN(CC4CC4)CC3)n3nccc32)no1 1772596430 HJWADTPEXUFSOR-UHFFFAOYSA-N 355.442 2.318 0 40 FEAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(F)cc1 5062621 HGMRRPMPTHZPHJ-UHFFFAOYSA-N 355.163 2.227 0 40 FEAB COCCCN(Cc1ccccn1)S(=O)(=O)c1ccc(OC)cc1 5516565 XZNDNPFPPFMGPG-UHFFFAOYSA-N 350.440 2.318 0 40 FEAB COc1cc(/C=C\C(=O)NCCNC(=O)c2ccccc2)cc(OC)c1 5958374 XUORJRCOZXVDPF-HJWRWDBZSA-N 354.406 2.263 0 40 FEAB CCc1ccc(N2C[C@H](C(=O)O[C@@H](C(N)=O)c3ccccc3)CC2=O)cc1 11737954 BERBXQMYPDKLHV-VQIMIIECSA-N 366.417 2.372 0 40 FEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 12864458 CTJNBIPMLHPTRP-UHFFFAOYSA-N 368.389 2.022 0 40 FEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1 14396200 HIYRHNFTAHCSHQ-UHFFFAOYSA-N 362.451 2.411 0 40 FEAB C[C@H](C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1 19079849 AIEUYLJVCSZVQG-CZUORRHYSA-N 360.845 2.057 0 40 FEAB CCN1CCC[C@@H]1CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 19527173 DNUKALOVANUHOD-LJQANCHMSA-N 354.502 2.424 0 40 FEAB CN1C(=O)S[C@H](CC(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)C1=O 19586839 ABRUHXVXXASBSV-TZMCWYRMSA-N 372.450 2.353 0 40 FEAB CNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935745 PWCQYQQVEBKCEQ-KRWDZBQOSA-N 362.451 2.193 0 40 FEAB CC(C)[C@@H](O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 551094982 GWJOMROLFAOCBD-IBGZPJMESA-N 362.495 2.163 0 40 FEAB Cc1cc(C(=O)N2CC[C@H](COc3ccc(C(C)(C)C)nn3)C2)nn1C 1888852975 FIYWKDXJVNHSNZ-AWEZNQCLSA-N 357.458 2.357 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)N3CC(Oc4cccnc4)C3)c2O1 238868902 MKPIRRLNXCHABD-UHFFFAOYSA-N 354.406 2.464 0 40 FEAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)cc1 2056224435 JAPOMNLWNNHYGQ-CQSZACIVSA-N 358.467 2.241 0 40 FEAB CC(C)c1ocnc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1 2087143998 YOZFFDOPPUDKFY-UHFFFAOYSA-N 353.430 2.096 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H](C)S[C@@H](C)C1=O 2710882 JOXGZAFLAPTRRI-IUCAKERBSA-N 356.831 2.166 0 40 FEAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccc(OC(F)F)cc1 5258793 SRYYJKOZRZNNBV-AWEZNQCLSA-N 365.336 2.255 0 40 FEAB NC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269098 YTDGWDANOSXIMR-UHFFFAOYSA-N 365.364 2.387 0 40 FEAB COc1cc(-c2nnc(NC(=O)c3cc(C)n(C)n3)o2)cc(OC)c1OC 9001738 BYBCGOGGNTYTIQ-UHFFFAOYSA-N 373.369 2.057 0 40 FEAB O=C1CC[C@H](C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)N1 2086861041 ANDXILPBENRMNR-OAHLLOKOSA-N 358.829 2.268 0 40 FEAB CCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1 40068864 KEXPGCLMHPZTJU-LBPRGKRZSA-N 359.517 2.261 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103627568 DUBHHRJYBIIVSP-NQERCMRGSA-N 354.406 2.349 0 40 FEAB COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(C)=O)C2=O)cc1 705638 KHOCBMTXWRBCCR-IBGZPJMESA-N 366.417 2.418 0 40 FEAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1 23074737 FMPYPURQCFFOEW-NSHDSACASA-N 371.784 2.500 0 40 FEAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccs1 42649583 FMHNTPMEGSEROQ-HNNXBMFYSA-N 352.481 2.100 0 40 FEAB COC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 77924734 YTRGVNUMRBOZMI-WCQYABFASA-N 356.369 2.044 0 40 FEAB COC(=O)c1ccc(CNC(=O)NCCOc2ccc3c(c2)OCO3)cc1 47606043 KKNFBAAJVBRJAC-UHFFFAOYSA-N 372.377 2.080 0 40 FEAB Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4cc(C)n(C)n4)nc3c12 2791039 UIVJCUICVXBGSH-UHFFFAOYSA-N 355.427 2.058 0 40 FEAB O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1)Nc1nncs1 43129871 OHYQICXNSCIAPT-UHFFFAOYSA-N 359.333 2.108 0 40 FEAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2 4965834 KCUXFUHVZRVEHG-UHFFFAOYSA-N 362.426 2.282 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 56756407 JRNVLCDPDRWYRX-QGZVFWFLSA-N 366.465 2.223 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014558 ABVNLHFYPDEWBE-QAETUUGQSA-N 351.406 2.215 0 40 FEAB COc1cc(CC(=O)NC[C@@H]2CCCN(C(C)C)C2)cc(OC)c1OC 58077906 ABZADUCXWJAAKS-HNNXBMFYSA-N 364.486 2.492 0 40 FEAB Cc1cc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)s1 44783921 LEYMTWRQPMVEDK-UHFFFAOYSA-N 356.513 2.388 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2[nH]c1=O 100065433 ZGVKUNDWNAKYCC-UHFFFAOYSA-N 367.386 2.170 0 40 FEAB CS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccccc2Cl)n1 27666138 RTEYKWIGVFMRAE-UHFFFAOYSA-N 360.222 2.117 0 40 FEAB COCCOc1ncccc1C(=O)N(C)Cc1ncc(C)c(OC)c1C 58283358 WQRMYSYYZJXJLI-UHFFFAOYSA-N 359.426 2.399 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 12598744 AWRSIFZISOYCPB-FQEVSTJZSA-N 366.373 2.203 0 40 FEAB CCOc1ccc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1 27927609 GGGKCFFNGWGZFN-UHFFFAOYSA-N 356.470 2.394 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CC1 46562309 BLAWHPBTELNOFF-ONEGZZNKSA-N 364.829 2.409 0 40 FEAB CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 12374039 NSOBZBDLQHYETK-CYBMUJFWSA-N 367.453 2.267 0 40 FEAB CCCCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 9137639 UTJLUAKDEWQNLQ-UHFFFAOYSA-N 355.441 2.373 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2)c1 48279782 WTPFLJJXNVFBPO-UHFFFAOYSA-N 350.426 2.179 0 40 FEAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)[C@H]1COc2ccccc2O1 12778666 PQUWUJLRRXREOJ-QGZVFWFLSA-N 363.377 2.454 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)no1 3356209 ZELATSJMWKXHHR-UHFFFAOYSA-N 374.466 2.004 0 40 FEAB COCCCN1CNC2=NC3(CCCC3)n3c(nc4ccccc43)N2C1 20676366 YJQFRZBUWPKMMK-UHFFFAOYSA-N 354.458 2.296 0 40 FEAB CN(C(=O)c1cc(Br)ccc1Cl)[C@H]1CCS(=O)(=O)C1 37977948 DBLUEKJHEFIICR-VIFPVBQESA-N 366.664 2.362 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402287 PCEWUUKMCRCDLC-UHFFFAOYSA-N 361.471 2.327 0 40 FEAB CC(C)(C)c1ccc(OC[C@@H](O)Cn2nnn(-c3ccccc3)c2=O)cc1 12922116 LZYOLXGOICIVEB-KRWDZBQOSA-N 368.437 2.166 0 40 FEAB C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)N1CCNC1=O 13000119 XOFPFOMXKOEKGS-CQSZACIVSA-N 352.390 2.375 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 39984874 VZWPGXNGHYWBOF-KRWDZBQOSA-N 358.438 2.224 0 40 FEAB COc1ccc(NC(=O)[C@@H](Cc2cccc(OC)c2)c2nn[nH]n2)cc1 5484164 ZHQLKOFWFANEEA-INIZCTEOSA-N 353.382 2.182 0 40 FEAB Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1C[C@H](C)O[C@@H](C)C1 19793585 GYIBDEDBVIYNMN-GJZGRUSLSA-N 371.481 2.282 0 40 FEAB O=C1N[C@H](c2ccccc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5524717 SCRCGIHQSKHGKJ-IOASZLSFSA-N 365.311 2.186 0 40 FEAB CCCc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n(C)n1 4770130 IXTMIXGLTBCAPY-UHFFFAOYSA-N 356.426 2.097 0 40 FEAB CCOC(=O)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 5928113 ICWWWGBNLYIHGT-UHFFFAOYSA-N 370.818 2.499 0 40 FEAB COC(=O)c1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 8205602 RLSYRRNENLZXRO-RVDMUPIBSA-N 363.398 2.152 0 40 FEAB Cc1ccc(C(=O)NC2=NCCS2)cc1S(=O)(=O)N1CCCCC1 9604956 LAJDYLZDAPXHQI-UHFFFAOYSA-N 367.496 2.002 0 40 FEAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 9644985 AVNOVAYPPJEBHA-LLVKDONJSA-N 372.454 2.254 0 40 FEAB CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8777079 VTDZJPAWWPJNIQ-UHFFFAOYSA-N 365.908 2.218 0 40 FEAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408605419 KCLPJSGZDNQTMK-NSHDSACASA-N 362.879 2.322 0 40 FEAB C[C@@H](Nc1ccn(CC(N)=O)n1)C(=O)Nc1cccc(Cl)c1Cl 95945101 GCNLCIZHIGWCOK-MRVPVSSYSA-N 356.213 2.114 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 28198204 FNQXKGJGBYJQNK-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23690012 PQHFUIVDNCHRGB-MRXNPFEDSA-N 364.401 2.392 0 40 FEAB O=C(NCc1ccc2ccccc2c1)N1CCC[C@](O)(Cn2ccnn2)C1 516985491 LRRZSUSYHDRQDP-HXUWFJFHSA-N 365.437 2.168 0 40 FEAB COc1cccc(/C=c2\sc3nc4ccc(C(=O)O)cc4n3c2=O)c1 408723425 ULENIJXBFLNSGN-NVNXTCNLSA-N 352.371 2.164 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(c2nc(-c3ncccn3)no2)C1 49482997 WMKSXSZMWHTDKA-UHFFFAOYSA-N 355.785 2.349 0 40 FEAB CC(=O)c1cccc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)c1 75157975 UYSDKUXWJRXXPY-UHFFFAOYSA-N 351.322 2.172 0 40 FEAB CC(=O)NCCOc1ccc(-c2ccc(OCCNC(C)=O)cc2)cc1 40545819 QEUSRJZWBGCMCQ-UHFFFAOYSA-N 356.422 2.383 0 40 FEAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NC[C@H]1CCCO1 41253701 CTOXIBHDTBJGSG-OAHLLOKOSA-N 361.829 2.249 0 40 FEAB CCOC(=O)[C@H]1CS[C@@H](c2cc(Br)c(O)c(OC)c2)N1 98072853 FSYZTUGKSYJGJG-SKDRFNHKSA-N 362.245 2.430 0 40 FEAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@H]12 96056314 XTDGBSSOVCVAMG-YTQUADARSA-N 362.470 2.002 0 40 FEAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(C(N)=O)cc1 96118650 LPUQPLKVGMRVNG-UHFFFAOYSA-N 350.378 2.337 0 40 FEAB COc1cc(OC)c([C@]23CCN(C)C[C@H]2O3)c(OC)c1Br 95080376 WKPBNWSHAJYKOE-ABAIWWIYSA-N 358.232 2.405 0 40 FEAB Cc1ccc(N2C[C@@]3(COCCN(Cc4cccnc4)C3)OCC2=O)s1 96051469 UNKGVKSQFIPKSO-IBGZPJMESA-N 373.478 2.086 0 40 FEAB Cn1nccc1N1CCC[C@H](NC(=O)C(C)(C)c2ccc3c(c2)OCO3)C1 580665490 MMLWXMOWAMYNDE-HNNXBMFYSA-N 370.453 2.212 0 40 FEAB Cc1ccnc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1 248140053 PXXABWFFSYSLEM-INIZCTEOSA-N 370.453 2.214 0 40 FEAB CN(C)C(=O)c1cnn2c(C3CCN(c4ccccn4)CC3)ccnc12 257300430 RUFGLPUVFSNGAP-UHFFFAOYSA-N 350.426 2.210 0 40 FEAB CNc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CN(C)CC2 257315876 VDBQHOGBCSZPJK-HNNXBMFYSA-N 351.454 2.136 0 40 FEAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(COc3ccccc3F)on2)[C@H]1O 257222296 DSTBMYOVZZGMNS-DJIMGWMZSA-N 364.373 2.003 0 40 FEAB CNc1cncc([C@@H]2CCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 257211024 BXFKUAUCASUERD-INIZCTEOSA-N 353.426 2.475 0 40 FEAB CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@@H](OC3CCC3)C1)CC2 654523276 UAJWQKYJXGGAQK-GDBMZVCRSA-N 361.490 2.459 0 40 FEAB Cc1nc([C@@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3Cl)O2)n[nH]1 1775957764 MAQYSGDZZOLARA-OCCSQVGLSA-N 352.797 2.485 0 40 FEAB CCN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 649462902 FTEQTPVZTGXYIM-HZPDHXFCSA-N 374.485 2.446 0 40 FEAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCOCC2)C3)c1 585103523 HBESAQHVMWYNNL-QGZVFWFLSA-N 374.481 2.044 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCCn3ccnc3)C2)cc1 585271318 GAKFUURPTWJSHD-HXUWFJFHSA-N 357.454 2.404 0 40 FEAB Cc1c(CC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cnn1C 685943033 QFOPREGSTAZBMS-KXBFYZLASA-N 355.442 2.112 0 40 FEAB C[C@H]1CC2(CCOCC2)CN1[C@H](C)C(=O)NCc1ccc(C(=O)O)cc1 652449903 UNPJHOAETCHYKS-LSDHHAIUSA-N 360.454 2.281 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)[C@H]1C[C@@H](c2cccs2)NS(=O)(=O)N1C 12130004 BTFMLJBHIORIJA-XDQVBPFNSA-N 371.528 2.117 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@H]1C[C@H]3CC[C@@H]1C3)NC(=O)CO2 12446819 MFCNMKJOPZSIQM-YNEHKIRRSA-N 350.440 2.040 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 14607419 LFLCPOZBYHTADZ-DOTOQJQBSA-N 358.438 2.210 0 40 FEAB O=C(NC1CCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858209 JQSFOWHKRPAVJA-UHFFFAOYSA-N 370.858 2.469 0 40 FEAB Cc1ncc(C(N)=O)c(CCNC(=O)CCCc2c[nH]c3ccccc23)n1 19697310 GJEKQKSZTGGZRI-UHFFFAOYSA-N 365.437 2.047 0 40 FEAB O=C1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)CN1Cc1cccc(F)c1 19718381 ZEIDGRUKHBGPNL-QGZVFWFLSA-N 373.472 2.261 0 40 FEAB CC1(C)C[C@@H]1C(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863733 CNGVUOUKIQNYNM-GXTWGEPZSA-N 355.442 2.275 0 40 FEAB Cc1cc2ncnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)c2[nH]1 1888876421 JCAUNSNSROJSQV-UHFFFAOYSA-N 353.405 2.399 0 40 FEAB Cc1ncnc(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)c1C 1565553202 NYEICBIMSXARHX-UHFFFAOYSA-N 360.421 2.186 0 40 FEAB CC(=O)c1cc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)n[nH]1 1565546934 BPUKPQCFRIGWKF-UHFFFAOYSA-N 354.410 2.132 0 40 FEAB Cc1nnc(NC(=O)COC(=O)CSc2nc3ccccc3o2)s1 2491029 BVSJYUFWJFJLQH-UHFFFAOYSA-N 364.408 2.262 0 40 FEAB COc1ccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954769 MIHKEZZBYLUPBN-UHFFFAOYSA-N 355.419 2.410 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccc(Cl)cc1 11743599 BASJIOABWVPHPF-UHFFFAOYSA-N 354.797 2.389 0 40 FEAB COCc1noc([C@@H]2CCCCN2CC(=O)NCCc2ccccc2)n1 72329921 GZSVXEWGPYJMAY-INIZCTEOSA-N 358.442 2.102 0 40 FEAB COC(=O)c1ccc(CNC(=O)CSc2ncnc3ccccc23)o1 96191856 QCYHAHCWLCWJQN-UHFFFAOYSA-N 357.391 2.418 0 40 FEAB COc1ccc(C(=O)OCC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C 40160349 NPQPVCBTASFYDF-UHFFFAOYSA-N 369.361 2.491 0 40 FEAB O=C(CCNC(=O)C1CCCC1)NCCc1ccc(-n2cccn2)cc1 31539607 JFBUSSFQQNOAFS-UHFFFAOYSA-N 354.454 2.228 0 40 FEAB C[C@@H](NC(=O)Cn1nnc(COc2ccccc2)n1)c1ccc(F)cc1F 51869832 FHAYLDWSJDWXOG-GFCCVEGCSA-N 373.363 2.408 0 40 FEAB CNC(=O)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CC2)cc1 52827319 QDZUJIZBLQUOOV-UHFFFAOYSA-N 366.425 2.163 0 40 FEAB COC(=O)c1cc(NC(=O)CN(C)c2ccc(F)cc2)cc(C(=O)OC)c1 53268396 XMGQKSCXRMAWHA-UHFFFAOYSA-N 374.368 2.474 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 41883591 HYPFNSLQQNFMRS-HUUCEWRRSA-N 362.445 2.243 0 40 FEAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1F 22511924 WLXVCHONDBXING-UHFFFAOYSA-N 360.360 2.367 0 40 FEAB COc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC1CCCCC1 645266 QVJMWDIVOSEZRW-UHFFFAOYSA-N 354.472 2.444 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 802836 ZUNHIBCKOXUMOQ-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB COc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12 2712192 GZRLAHKKYPXHOT-UHFFFAOYSA-N 366.373 2.055 0 40 FEAB O=C(OCC(=O)N1CCCC1)c1ccccc1I 3288649 PLDVZIVHPIMGOY-UHFFFAOYSA-N 359.163 2.070 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)c1 5154274 XUUPSKWESRTCTK-UHFFFAOYSA-N 372.450 2.338 0 40 FEAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cccc(Cl)c1Cl 5517751 VKQNSXXFTKIEBF-ZETCQYMHSA-N 358.181 2.130 0 40 FEAB Cc1ccc(COc2cccc(/C=c3\sc4n(c3=O)CCN=4)c2)cc1 5553002 DIWVVCXNXJMZMX-PDGQHHTCSA-N 350.443 2.259 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 7218914 LLOZIMLXPIFFEK-UHFFFAOYSA-N 357.819 2.204 0 40 FEAB CCc1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 7808105 VVZJIOSQFYODBG-UHFFFAOYSA-N 363.417 2.259 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 8410813 WNASNDUQUOVYRU-UHFFFAOYSA-N 366.373 2.444 0 40 FEAB CCOC(=O)c1ccc2nc(NC(=O)CSCC(=O)O)sc2c1 9193615 RCMSMPAUGJDOFL-UHFFFAOYSA-N 354.409 2.229 0 40 FEAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccco2)n2nnnc2N3)cc1 10295623 CLAOXSBIIVDZIN-HNNXBMFYSA-N 363.337 2.132 0 40 FEAB COc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449835 LSXKQAJDGXYOBW-AWEZNQCLSA-N 374.462 2.439 0 40 FEAB CCNC(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12322114 UXLALWGAPISAJX-UHFFFAOYSA-N 368.466 2.195 0 40 FEAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12892877 ZQOYENGUZKRDDH-IAISJRAMSA-N 362.451 2.319 0 40 FEAB CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21 13093427 LMDZHOCMRPWUFR-UHFFFAOYSA-N 360.391 2.095 0 40 FEAB CCn1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C 13495601 FDEGKCWLLYKMTM-UHFFFAOYSA-N 362.227 2.488 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 13583391 BVTTVSNKEDGNGV-UHFFFAOYSA-N 374.418 2.380 0 40 FEAB CCOC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@@H]1CCCO1)n2C 13726730 NXIPIGCIHZBXRR-INIZCTEOSA-N 374.441 2.370 0 40 FEAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc(C)n3)cn2)cc1 13807249 WHDPLKSMZLDZCX-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn(C)c2C)c1 14085027 QQXPCWBGUSSWLL-UHFFFAOYSA-N 350.444 2.011 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)NCCc2ccccc2)C(=O)N1c1ccccc1 14160505 JVFIFWSITTZYDZ-OAHLLOKOSA-N 351.406 2.203 0 40 FEAB Cc1cc(OCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)no1 14242379 IVKSFSZEPIMDNK-UHFFFAOYSA-N 372.450 2.316 0 40 FEAB CC(=O)Nc1ccc(OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 14275966 NMIBHJIJHGETJG-UHFFFAOYSA-N 370.405 2.154 0 40 FEAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(C2CCCCC2)no1 15082230 VQJVPZCXZOXWAI-UHFFFAOYSA-N 374.416 2.345 0 40 FEAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)s1 19217473 JLEASGYSKOFALG-NSHDSACASA-N 358.423 2.333 0 40 FEAB Cc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3=O)cc2)CC1 19287975 BVOABECRXHMWJZ-UHFFFAOYSA-N 368.481 2.345 0 40 FEAB NC(=O)c1[nH]c(C2CCN(Cc3ncc[nH]3)CC2)nc1-c1ccccc1 19697027 HMAYGZOEVKFQON-UHFFFAOYSA-N 350.426 2.278 0 40 FEAB COc1ccc(C)cc1CN1CCN([C@H](C)C(=O)Nc2cc(C)no2)CC1 22911519 AIJIGUWQASNWEP-MRXNPFEDSA-N 372.469 2.445 0 40 FEAB CCOC(=O)C1CCN(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)CC1 23144940 ZQYUKOWFNAIPCG-UHFFFAOYSA-N 368.792 2.241 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 23157123 QIOWAMYYTUXEAA-IUODEOHRSA-N 362.451 2.291 0 40 FEAB CCn1cc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cn1 36621318 NYAXZXBKSONYJO-MAZHCROVSA-N 351.414 2.153 0 40 FEAB COc1cc(Br)ccc1S(=O)(=O)n1nnc2ccccc21 36636390 FAIIINUSLWPHFV-UHFFFAOYSA-N 368.212 2.439 0 40 FEAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 40087833 UCLSDDJEIRCIIB-INIZCTEOSA-N 353.422 2.097 0 40 FEAB C[C@@H](Sc1nnnn1Cc1ccco1)c1nnnn1-c1ccccc1 40089701 BXURMCRUXROHOS-LLVKDONJSA-N 354.399 2.143 0 40 FEAB C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 40090107 GXWSWJRIPKGPJR-GFCCVEGCSA-N 360.435 2.484 0 40 FEAB NC(=O)c1cc(NC(=O)CCS(=O)(=O)C2CCCC2)ccc1Cl 40132822 RWWBIFRZMVKIKM-UHFFFAOYSA-N 358.847 2.125 0 40 FEAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)c1 41153626 GSFSPWOUILYLKW-UHFFFAOYSA-N 363.370 2.363 0 40 FEAB CCCNS(=O)(=O)c1ccc(/C=C/C(=O)OCCOC(C)C)cc1 46506949 MNQPPSRTEMNMRD-JXMROGBWSA-N 355.456 2.356 0 40 FEAB COC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)c1cccs1 47418517 SJYNACMPZRDVRW-ZDUSSCGKSA-N 360.435 2.068 0 40 FEAB COc1ccccc1OCCNC(=O)C(=O)Nc1cc(Cl)ccc1O 49547960 NKXQXACVGIWIKU-UHFFFAOYSA-N 364.785 2.188 0 40 FEAB Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 52528379 YSBXJNCUNKBRLI-SNVBAGLBSA-N 352.316 2.431 0 40 FEAB CN(CC(=O)NC(C)(C)CC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 52818545 JWOVHUHVTAWCCU-UHFFFAOYSA-N 365.499 2.398 0 40 FEAB O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl 56099881 HRMWRGCNROJWOO-GFCCVEGCSA-N 352.847 2.077 0 40 FEAB O=C(NC1CCN(C(=O)NCc2ccccc2F)CC1)c1cccnc1 58175472 KTVSEHPUGUZWFH-UHFFFAOYSA-N 356.401 2.325 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(Cc2noc(C3CC3)n2)CC1 58178594 UNWWKBOVVGQZRP-UHFFFAOYSA-N 360.845 2.487 0 40 FEAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2cccc(F)c2)CC1 58217512 REYKNZFIUSJHCD-UHFFFAOYSA-N 374.441 2.209 0 40 FEAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(C(C)=O)cn2C)cc1 58225470 STFWQLLJZCSSIZ-QGZVFWFLSA-N 369.421 2.480 0 40 FEAB CCCCNC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 58297495 WSJBVLONIDFKNP-UHFFFAOYSA-N 365.433 2.128 0 40 FEAB CC(C)OCCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58380713 FXUYYQJGIBSATL-LJQANCHMSA-N 374.529 2.257 0 40 FEAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCc1cccs1 61969151 LRGAUWSJPYRVDL-UHFFFAOYSA-N 359.436 2.106 0 40 FEAB Cn1c(=O)c([C@H]2CC(=O)Nc3cc(O)c(C(=O)O)cc32)cc2ccccc21 65460106 WTXXJPAFXYYKLU-NSHDSACASA-N 364.357 2.416 0 40 FEAB O=C1CC[C@H](C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CN1 69018284 PCXYXNXBDQEUOI-KRWDZBQOSA-N 362.433 2.227 0 40 FEAB COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nc(C)no2)CC1 69740406 QDQXZXICTMEYDJ-MRXNPFEDSA-N 350.463 2.008 0 40 FEAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(Cl)cc1 72241397 PYDAKWOVMHPAAO-QWHCGFSZSA-N 351.815 2.334 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)ccc1Oc1cccnc1 72289523 FRRDVBYKPMKHHP-UHFFFAOYSA-N 368.393 2.451 0 40 FEAB CN1CCC(C[C@H](O)c2ccc(NC(=O)c3ccc(O)nn3)cc2)CC1 72347486 MPGLXFUCCNYQQL-KRWDZBQOSA-N 356.426 2.200 0 40 FEAB CCOC(=O)[C@H](C)N(C)C(=O)CCc1cc(OC)c(OC)c(OC)c1 79096347 QRPCXISVDRWMPX-LBPRGKRZSA-N 353.415 2.055 0 40 FEAB Cc1cc([C@@](C)(O)CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)o1 81081759 HKUZPQYOJDEVLG-YJBOKZPZSA-N 362.430 2.301 0 40 FEAB CN(Cc1ccccc1F)C(=O)CNc1cccc(-c2nnnn2C)c1 83116016 BLRRDQLETCFWJT-UHFFFAOYSA-N 354.389 2.087 0 40 FEAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(=O)n(C)c1 84037351 ZXRKZKDYTCWKHQ-SECBINFHSA-N 368.220 2.449 0 40 FEAB CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 89382630 JJSWIOCBURLECX-INIZCTEOSA-N 360.458 2.049 0 40 FEAB CCN1CCN(c2ccc(C(=O)OCCNc3cccnn3)cc2F)CC1 95456281 IKIXJLKSBWPKDA-UHFFFAOYSA-N 373.432 2.027 0 40 FEAB Cc1nc(CN2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)cs1 96229285 BUAZPQSEKSGXAY-SFHVURJKSA-N 359.499 2.361 0 40 FEAB O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2 100736846 DWTFKHXQRBNBRB-QWRGUYRKSA-N 351.859 2.271 0 40 FEAB O=c1c(NCc2ccccc2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101694232 YJPPAPMJWDEJHP-UHFFFAOYSA-N 361.445 2.217 0 40 FEAB CCN1C(=O)C(=NNc2ccc(Br)cc2)C(=O)N(CC)C1=O 103464427 MDAJVMBJXIKFFF-UHFFFAOYSA-N 367.203 2.048 0 40 FEAB Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 106029171 IKZNDSYZSIZTMX-QUCCMNQESA-N 368.481 2.232 0 40 FEAB CCOC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1 217498604 AMZFFFDZVJTUQN-AWEZNQCLSA-N 358.232 2.092 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 224299571 ODUGJMYGGVYASW-UHFFFAOYSA-N 372.425 2.200 0 40 FEAB O=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@H]2CCOC2)c1 252488792 IZCXGDXEHTYJAN-KRWDZBQOSA-N 368.437 2.175 0 40 FEAB Cn1ccnc1-c1cnc(CC2CCN(C(=O)c3ccncc3)CC2)cn1 257204972 AXBRLVPPZYOXCJ-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1C 257261468 LHLDANYTQXDCOL-MJGOQNOKSA-N 354.454 2.345 0 40 FEAB Cc1cc(C(=O)N2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)on1 257325627 WTTBPIICMORWOE-ICSRJNTNSA-N 355.438 2.225 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1 408558878 UGWPZOBSKLUESO-CQSZACIVSA-N 368.499 2.401 0 40 FEAB CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)N2 521923921 SNDYDBFHSLMBMS-QFBILLFUSA-N 371.481 2.486 0 40 FEAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1cccs1 575406948 YYPLEDLLGFLGQZ-HNNXBMFYSA-N 358.467 2.335 0 40 FEAB Cn1cc(-c2ncccc2C(=O)NCc2c(C(F)(F)F)cnn2C)cn1 628354661 RGQMBIOJRJRNJG-UHFFFAOYSA-N 364.331 2.164 0 40 FEAB CN1CC[C@H](c2nc(-c3ccccc3OC(F)(F)F)no2)S1(=O)=O 647382890 XXLFFTXMBHTUCD-SNVBAGLBSA-N 363.317 2.342 0 40 FEAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)C1(F)CCC1)CCC2 1565553981 NSQJKHFPFLAOBO-UHFFFAOYSA-N 370.428 2.438 0 40 FEAB Cc1ccc(N2C[C@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@H]3C2)nn1 1888913734 SOOXIVDHAHEFKP-HDICACEKSA-N 374.448 2.179 0 40 FEAB Cc1ncccc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839689 ALBXEILQQLNRCP-FQEVSTJZSA-N 369.396 2.177 0 40 FEAB COCCn1ncc2c1COC[C@@H]2CNC(=O)c1ccc2c(ccn2C)c1 2055759408 VYYLIKGWOCMNOU-INIZCTEOSA-N 368.437 2.065 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1=NN(C)C(=O)CC1 23730978 ACVVDGXZYTUODD-UHFFFAOYSA-N 353.426 2.056 0 40 FEAB COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)o2)cc1 23865871 MSBDKPJRYZPZSU-SFHVURJKSA-N 368.349 2.305 0 40 FEAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)c(F)c1 23994329 OEYIMCCPARVBCF-UHFFFAOYSA-N 374.453 2.278 0 40 FEAB O=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 792962 LXQAIMWMFMVNIY-UHFFFAOYSA-N 351.449 2.304 0 40 FEAB CCN1C[C@H](CN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)Oc2ccccc21 24574221 BEPFEKNPDYGUKS-YESZJQIVSA-N 369.465 2.114 0 40 FEAB CCCc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)n2ncnc2n1 1326832 DSHKJVSVDDHMGD-UHFFFAOYSA-N 360.443 2.071 0 40 FEAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CC=CCC2)c(Br)o1 55329845 BXJUUUBKMYOWKG-MRVPVSSYSA-N 364.217 2.375 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)NCCOc1ccc2c(c1)CCC2 56008484 MSJUUYLYPZBFRX-UHFFFAOYSA-N 369.446 2.142 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1=COCCO1 7780700 BAMQBMVXWRLXDQ-UHFFFAOYSA-N 369.215 2.043 0 40 FEAB CNC(=O)CNC(=O)c1csc(-c2cc(Br)cs2)n1 56201519 XZODQNZHMFMLCA-UHFFFAOYSA-N 360.258 2.110 0 40 FEAB CCCCN(C)S(=O)(=O)NCC1(c2ccccc2OC)CCOCC1 57028520 CGEGIWDFVWCXAY-UHFFFAOYSA-N 370.515 2.310 0 40 FEAB CCOC(=O)c1ccc(Nc2nc3cc(S(N)(=O)=O)ccc3o2)cc1 8710459 CKRPSIOERVUKAX-UHFFFAOYSA-N 361.379 2.396 0 40 FEAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)ccc1O 35590328 WZUYSUSQCMMTGH-INIZCTEOSA-N 371.418 2.113 0 40 FEAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(F)c1 100128306 HLXFDOZDBXXQLU-HZPDHXFCSA-N 358.417 2.012 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccsc3)C2=O)cc1 58191533 NJQPGGYMUFJMPG-QGZVFWFLSA-N 359.407 2.162 0 40 FEAB Cc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1Br 27743550 SOZHJAJGBWEUSE-UHFFFAOYSA-N 370.228 2.203 0 40 FEAB CN1CCN([C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)O)CC1 22466455 SXFUKACUQOCDII-LBPRGKRZSA-N 360.241 2.023 0 40 FEAB COc1cccc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c1OC 100775075 SYFWBQFEROMLEN-UHFFFAOYSA-N 368.437 2.361 0 40 FEAB CCOC(=O)C1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 45491881 QYAHLQADTLEMQZ-UHFFFAOYSA-N 364.833 2.472 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)cc21 102451741 YDXIWVYDLUXKAY-GMTAPVOTSA-N 370.858 2.499 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)CC1 100746281 QZTCWOCAWLBLFN-UWWQBHOKSA-N 358.486 2.381 0 40 FEAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2sccc2C(N)=O)CC1=O 3364172 JTNPCJANEAWWMR-NSHDSACASA-N 373.434 2.237 0 40 FEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(F)cc1 12807626 PEYUDDFQNXALNN-OAHLLOKOSA-N 371.412 2.324 0 40 FEAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccc(N)c3)n[nH]2)CC1 64875558 WXEGSMFUUBJECK-UHFFFAOYSA-N 358.446 2.107 0 40 FEAB COc1cccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)c1 13511195 RXXJPVOZYCTXRM-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB Cc1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccccc2)c(C)c1 4499988 KPBPIPXVAKGJIJ-UHFFFAOYSA-N 371.422 2.475 0 40 FEAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 14167217 RPAVWQKPIBHPHI-HNAYVOBHSA-N 358.369 2.033 0 40 FEAB O=C1NCCCC[C@H]1Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 14183132 RFTBEHQRSOQIDR-LLVKDONJSA-N 373.360 2.322 0 40 FEAB O=C(C1CCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 14171261 XUYJZZWERSUKGU-UHFFFAOYSA-N 372.856 2.335 0 40 FEAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)c2ccco2)CC1 14139879 AZBWXGJCBIJGLJ-LBPRGKRZSA-N 363.364 2.343 0 40 FEAB COc1ccc(-c2nc3s/c(=C/c4ccccc4OC)c(=O)n3n2)cc1 6441592 OJYBNSOHQRREEH-LFIBNONCSA-N 365.414 2.383 0 40 FEAB COCc1cc(N[C@H](Cc2ccccc2)Cc2c[nH]cn2)n2ncnc2n1 95443217 NZXBHBFGDRQFCI-OAHLLOKOSA-N 363.425 2.260 0 40 FEAB Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCO2)n1 110904178 NQSIIQOEIWHADO-CQSZACIVSA-N 368.359 2.455 0 40 FEAB C[C@H]1CCCCN1C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346184 PJZNCSSLURGLHS-AWEZNQCLSA-N 360.483 2.307 0 40 FEAB COc1c(F)c(F)cc2c(=O)c(C(=O)NC(C)(C)CO)cn(C3CC3)c12 9530942 XUKOOPLMJMWTIO-UHFFFAOYSA-N 366.364 2.124 0 40 FEAB COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 7684813 HTVIDWSSVDXMSS-UHFFFAOYSA-N 360.435 2.401 0 40 FEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)o1 8109973 XTEZKOYSPSLHRO-UHFFFAOYSA-N 368.842 2.388 0 40 FEAB COc1ccc(CN(C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F 9749629 IXCMOMFTBNQHND-UHFFFAOYSA-N 358.373 2.074 0 40 FEAB CC(=O)c1cccc(NC(=O)CN(CCC(N)=O)Cc2ccccc2)c1 8745702 BFFFKINRMZQHLH-UHFFFAOYSA-N 353.422 2.205 0 40 FEAB CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 18543947 QNJIHKFNRINZON-OLZOCXBDSA-N 357.497 2.211 0 40 FEAB COc1cc(OC)cc(OS(=O)(=O)c2cccc3nsnc23)c1 19109546 ATSLIALFAMDADR-UHFFFAOYSA-N 352.393 2.476 0 40 FEAB COc1ccc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 72403856 HFGKKPCSFMIVTF-AWEZNQCLSA-N 363.439 2.120 0 40 FEAB CS(=O)(=O)Cc1nc(CN(CCO)[C@H]2CCc3ccccc32)cs1 72632222 SOXCTFDXGIKHMZ-INIZCTEOSA-N 366.508 2.170 0 40 FEAB CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCCCCC2)ccc1OC 9957485 MKSSQRQXFSZJMO-PKNBQFBNSA-N 366.483 2.409 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 22533970 CWDPIGVJABIEFR-UHFFFAOYSA-N 359.325 2.154 0 40 FEAB Cc1noc(-c2cccn3c(CNC(=O)c4sccc4C)nnc23)n1 225749324 CNMACPUMKGUAEJ-UHFFFAOYSA-N 354.395 2.388 0 40 FEAB CCn1nncc1C(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 551780251 DYTDZUROTBOPPX-UHFFFAOYSA-N 353.470 2.426 0 40 FEAB Cc1cc(C)c(N(C[C@@H](O)CN2CCCCC2)S(C)(=O)=O)c(C)c1 31903765 KYUVOLVKMMHHCS-KRWDZBQOSA-N 354.516 2.225 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217650305 ILBTWGCXTPVSMN-CYBMUJFWSA-N 370.471 2.444 0 40 FEAB Cc1ccc(N2CCN(C(=O)CN(CC(=O)O)c3ccccc3)CC2)cc1 34926588 CONQAYJDRUFDOH-UHFFFAOYSA-N 367.449 2.235 0 40 FEAB CSc1nc(=O)n(C(C)(C)C)c(=O)n1Cc1cc(F)c(F)cc1F 2362804364 QBXTUJPKWRZWSG-UHFFFAOYSA-N 359.373 2.348 0 40 FEAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218549420 RSMHNGGAKPYTCE-HOTGVXAUSA-N 368.861 2.323 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 43730383 OJJVXOQKRGGSGH-ZGPJWRFFSA-N 369.465 2.172 0 40 FEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1CCCN(c2cccnn2)C1 135307430 LXHRXOVKPBIWQZ-WMZOPIPTSA-N 352.438 2.266 0 40 FEAB COc1cc(C)n(CCNC(=O)/C=C/c2ccc(OC)c(OC)c2)c(=O)c1 225615769 MSWOMNNADOEXDF-SOFGYWHQSA-N 372.421 2.012 0 40 FEAB CCc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223329489 VTAWUGZQFPLXFP-UHFFFAOYSA-N 354.457 2.496 0 40 FEAB O=C(Nc1cccc2c1CCO2)N1CCC2(CCC2)S(=O)(=O)CC1 584161682 LQAZQYPVOUYHTA-UHFFFAOYSA-N 350.440 2.197 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96043033 NWGSMJSKQZCWBA-ZYSHUDEJSA-N 355.438 2.313 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)c1ccc(F)cc1)C2 96226946 XAMPFTGQMYTHDT-FXAWDEMLSA-N 353.397 2.389 0 40 FEAB O=C(NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2)c1cnccn1 247464445 CCNMKZNHFLMTBG-MRXNPFEDSA-N 370.428 2.027 0 40 FEAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)N[C@@H]3C(=O)NCC[C@H]3C)cc2)C1 249554375 LPNMDWJLJJQHOW-MDZRGWNJSA-N 372.513 2.242 0 40 FEAB Cc1nc(O)cc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257201906 AJOZSZQKHSGANT-QGZVFWFLSA-N 351.410 2.454 0 40 FEAB CC1(C(N)=O)CCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1 257274595 NLUFNKWUTQATIX-UHFFFAOYSA-N 362.445 2.279 0 40 FEAB C[C@H](NC(=O)CSCc1cccnc1)[C@@H](C)C(=O)Nc1ncccc1O 590367716 KQGYKYFOBDYDGW-OLZOCXBDSA-N 374.466 2.195 0 40 FEAB Clc1ccccc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1 546051556 UHOVRXRUYSUBIY-UHFFFAOYSA-N 373.888 2.289 0 40 FEAB Fc1ccc2nc(C(F)F)nc(NCc3nnc4n3CCOCC4)c2c1 1615556202 MPXBGPHDLIUREW-UHFFFAOYSA-N 364.331 2.483 0 40 FEAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cn1cnnn1 618238439 YPAGZCAIDJKWBV-HNNXBMFYSA-N 369.347 2.196 0 40 FEAB O=C(NCc1ccc(F)cc1F)c1cn(C[C@@H](O)c2cccs2)nn1 390827856 LFFIQFATPFCPRC-CQSZACIVSA-N 364.377 2.281 0 40 FEAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575423325 PFQMFYRPJQDHJW-GJZGRUSLSA-N 359.513 2.280 0 40 FEAB COc1ccc2[nH]c(CN3CC[C@@H](OC)[C@H](CC(=O)N(C)C)C3)cc2c1 585275562 GSROJHOTWUSNRE-DNVCBOLYSA-N 359.470 2.492 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)CCc3ccccc3)CC2)C1 585103331 OLAIYXRPFIUMML-FQEVSTJZSA-N 374.525 2.453 0 40 FEAB CCn1cc(CN2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cn1 585099824 CZURMTBYVSKEDG-ICSRJNTNSA-N 360.502 2.429 0 40 FEAB O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@@H](CN2CCOCC2)C1 69743619 YNKWGBBXNQSNFX-HNNXBMFYSA-N 359.445 2.420 0 40 FEAB Cc1ncccc1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340743 RAXHTIMNFUSMEB-UHFFFAOYSA-N 358.405 2.467 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCOc2ccc(F)cc21 53366235 PSTWFXZNLYTPID-INIZCTEOSA-N 368.364 2.452 0 40 FEAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3418427 ICSMZTFICOZLAJ-AATRIKPKSA-N 360.391 2.051 0 40 FEAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1 5257325 OZEPXWSBDRURIK-UHFFFAOYSA-N 366.859 2.500 0 40 FEAB CC1CCN([C@H](C)CNC(=O)[C@H](C)N2C(=O)[C@@H](C)Oc3ccccc32)CC1 19496773 BFTNPJQMTMGDSF-IXDOHACOSA-N 373.497 2.426 0 40 FEAB COc1cc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)nc(OC)n1 19550317 ZYVFKUVKEIKNSU-UHFFFAOYSA-N 367.409 2.390 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)s1 19560140 VTTXZHKDVPVJEX-CQSZACIVSA-N 369.454 2.113 0 40 FEAB O=C(N[C@@H](CCN1CCCCC1)c1ccccc1)c1cccn2nnnc12 19661948 OUHHSGLJNFMKDQ-SFHVURJKSA-N 364.453 2.471 0 40 FEAB CCOCCCNC(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 153204697 NMDWDYRTMPRCFY-UHFFFAOYSA-N 364.486 2.459 0 40 FEAB COC(=O)[C@@H]1CCc2nnc(-c3cc(Br)cn3C)n2CC1 601045536 YCHXYLTYPAJHMP-SECBINFHSA-N 353.220 2.172 0 40 FEAB Cc1nn(C)c(C)c1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1203052109 UJFCKBUWHKWWEQ-UHFFFAOYSA-N 368.481 2.435 0 40 FEAB O=C1[C@H]2CN(c3nc4cnccc4s3)C[C@@H]2C(=O)N1Cc1ccccc1 1888890636 BTBYRQKPRFXQHL-KBPBESRZSA-N 364.430 2.313 0 40 FEAB CCc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(C(C)(C)C)n1 1888906454 HDWJRYVWSSCBKO-UHFFFAOYSA-N 366.473 2.329 0 40 FEAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccco1 244933273 CJZUZJJGEWKCTQ-UHFFFAOYSA-N 356.367 2.080 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565547166 GHUUFKOPOPHUPP-GOSISDBHSA-N 363.408 2.468 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 4304784 YPUHETRTLNZFSE-UHFFFAOYSA-N 369.446 2.419 0 40 FEAB CC(C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708290 XBUYNSDGIKXSQC-INIZCTEOSA-N 357.479 2.493 0 40 FEAB CCOC(=O)c1csc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n1 4167578 YXXPYQYILPCWHH-UHFFFAOYSA-N 373.390 2.226 0 40 FEAB COc1ccc([C@H](CNC(=O)Cn2c(=O)oc3ccccc32)N(C)C)cc1 13150518 MQWLYQJRTCZFAA-KRWDZBQOSA-N 369.421 2.022 0 40 FEAB CNc1snc(C)c1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 30705701 ZQWMPAPMXWAXHH-OAHLLOKOSA-N 360.483 2.297 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCOCC2)C1 50427042 MPNCHGDUKUTICP-MRXNPFEDSA-N 356.466 2.252 0 40 FEAB CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Br 23013180 LNQVPYMEYKMJFU-UHFFFAOYSA-N 363.277 2.228 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)cc1 23347959 HJCOYVQDNHNVRN-UHFFFAOYSA-N 371.422 2.063 0 40 FEAB COc1ccnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 104749335 ZJKCNFAMXVKIJQ-UHFFFAOYSA-N 373.478 2.090 0 40 FEAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 78479801 CGTFXVAXJREHRZ-STQMWFEESA-N 359.426 2.355 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 24814517 OQTVLMQUUCKSDO-OAHLLOKOSA-N 373.478 2.314 0 40 FEAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccc(OC(F)F)cc1 4484325 GWZLOVFAKLPXQP-ZDUSSCGKSA-N 354.309 2.453 0 40 FEAB C[C@H](NCc1cccc(Cn2cccn2)c1)C(=O)NC(=O)NC(C)(C)C 56207930 XLKKVRZQIZOJPT-AWEZNQCLSA-N 357.458 2.034 0 40 FEAB O=C(O)Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1 10475547 AGGASIQWKDTQCG-UHFFFAOYSA-N 370.390 2.490 0 40 FEAB CN(C(=O)CNC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 58020260 BFQOFRZXZXTRCW-GOSISDBHSA-N 372.490 2.011 0 40 FEAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccncc1 9322846 PHGJJPWHVOROAH-OLZOCXBDSA-N 359.451 2.283 0 40 FEAB CCOC(=O)c1c(Cn2cc(C(=O)NC)ccc2=O)oc2ccccc12 58277394 XEQGOAWKUQPJKR-UHFFFAOYSA-N 354.362 2.179 0 40 FEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cnn(-c2ccccc2)c1 11555886 NBSWWOZSKDGSNR-UHFFFAOYSA-N 364.405 2.500 0 40 FEAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccn1 22371144 WNLWNUQSSYMCEW-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2ccc(OCC)c(OC)c2)CC1 24064598 BKSPWSKDADWYKA-UHFFFAOYSA-N 350.415 2.445 0 40 FEAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc2c(c1)OCO2 3316725 QJCLBILIUZERQF-UHFFFAOYSA-N 367.313 2.317 0 40 FEAB COc1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OCc1ccncc1 48355608 BKEWJFDREIZERJ-UHFFFAOYSA-N 365.389 2.288 0 40 FEAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)c(C)c1 3417477 SJURKVQNKZCOHG-UHFFFAOYSA-N 358.350 2.220 0 40 FEAB O=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)N2CCOCC2)cc1 12908150 FSHDPRXHTKLBBP-UHFFFAOYSA-N 356.397 2.157 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)N1CCCCCC1 12972039 KSSODHOWNSCMQR-UHFFFAOYSA-N 369.487 2.076 0 40 FEAB CN1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1cnccn1)C2 306139752 TZIQIEQEWDWPGD-QGZVFWFLSA-N 358.486 2.220 0 40 FEAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1 13038382 YCLXTZABPHNYHC-UHFFFAOYSA-N 365.355 2.291 0 40 FEAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 9111083 JIELJXMISVEJIL-UHFFFAOYSA-N 351.409 2.392 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)n(C)c1 39535327 SHXVJRGREOGIGP-UHFFFAOYSA-N 350.444 2.011 0 40 FEAB C[C@H](O)CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9477006 XSWGSPMZQFTROJ-LBPRGKRZSA-N 369.373 2.041 0 40 FEAB biogenic COc1cccc2c(C)nc(NC3=NCN(Cc4cccnc4)CN3)nc12 15083238 LINAMJOWSRSZNL-UHFFFAOYSA-N 363.425 2.130 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 7037178 RZUVSGVHXCHJON-UHFFFAOYSA-N 362.495 2.491 0 40 FEAB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1 19835076 YKVJCMCXZZUJAV-UHFFFAOYSA-N 367.449 2.391 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)cc1 20245032 RRBZDUKHIOITGX-UHFFFAOYSA-N 351.403 2.077 0 40 FEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C1CCCC1 7810629 BVIMGQPOZUONKU-UHFFFAOYSA-N 359.426 2.479 0 40 FEAB Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)NC1CCCCC1 8118129 YNBSOXPFNMYUCV-UHFFFAOYSA-N 350.488 2.052 0 40 FEAB CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccs1 69283339 WNPHGBOXTHKRIA-UONOGXRCSA-N 352.456 2.069 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1F 8260362 QHANXSOBOMAKFD-VIFPVBQESA-N 350.371 2.479 0 40 FEAB Cc1cccc(NC(=O)CCNC(=O)CCCNC(=O)OC(C)(C)C)n1 69923112 RSNSRLIOCNMXPJ-UHFFFAOYSA-N 364.446 2.140 0 40 FEAB COc1ccc(C(=O)Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 20799815 UZNLRPWJZNTRMO-UHFFFAOYSA-N 361.361 2.370 0 40 FEAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnc2)c1 32646695 JIMURUSLHFAPIF-UHFFFAOYSA-N 366.377 2.364 0 40 FEAB c1cc2c(cc1[C@@H](c1nnnn1C1CCCCC1)N1CCOCC1)OCO2 33428865 VGDGJWGKXWWENF-SFHVURJKSA-N 371.441 2.329 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 75433440 CJQPNIFTKDECKD-UHFFFAOYSA-N 364.448 2.087 0 40 FEAB CCCn1nc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1=O 36624520 GZEZGOKGVCFNFU-CQSZACIVSA-N 351.410 2.330 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218594742 TXHSFSZKJDXHRF-ZOBUZTSGSA-N 365.838 2.370 0 40 FEAB Cc1noc(C2CN(C(=O)N[C@H](c3ccccc3F)c3nccn3C)C2)n1 563602092 GLHIQEYDXAFTDS-OAHLLOKOSA-N 370.388 2.149 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 225015878 KROVXOUHYZXKPW-UHFFFAOYSA-N 366.414 2.472 0 40 FEAB COC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2OC)CCCC3)CC1 224020889 DHTVSZMXLHFKRN-UHFFFAOYSA-N 367.467 2.148 0 40 FEAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224829735 ZPKZXMYMHNVZLK-UHFFFAOYSA-N 363.391 2.070 0 40 FEAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCOCC2)cc1OC 226252867 LTIVFDBWDXCJFS-UHFFFAOYSA-N 357.410 2.375 0 40 FEAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96052589 NHJDRFYRMVWJFP-OAHLLOKOSA-N 364.449 2.274 0 40 FEAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCc2cncn2C)cc1 583623751 RTTHPVAZZSUOQW-QUCCMNQESA-N 357.454 2.260 0 40 FEAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)C3CCOCC3)CC2)C1 96220940 ZOPZVKSNMCHXQY-IBGZPJMESA-N 373.497 2.090 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1 96183359 ZCEDDDJXXDXVKP-PKOBYXMFSA-N 355.413 2.127 0 40 FEAB COCC(=O)N1CCC[C@H]1c1cnc(N2CC3(CCCCC3)OC2=O)cn1 257222759 DUPPYTWXRABACY-HNNXBMFYSA-N 374.441 2.446 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](Cc1nccc(Nc3cc(C)n[nH]3)n1)CO2 257262193 LKNJOHVZQLSNOK-HNNXBMFYSA-N 370.457 2.212 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3ccncn3)C2)cn1 257328971 XHVHSLMLBZXWSE-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 262388777 PDDPXMUGQUFOMB-GFCCVEGCSA-N 351.346 2.419 0 40 FEAB COc1ccncc1NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644337838 KSHUVPWWXHIWAD-HXUWFJFHSA-N 355.438 2.446 0 40 FEAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccn(C2CCOCC2)n1 656636318 CVEKATAZPCCLFA-UHFFFAOYSA-N 371.440 2.104 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)NCc1cc2ccccc2n(C)c1=O 661224323 MOBHCANMVZGEQX-UHFFFAOYSA-N 365.437 2.149 0 40 FEAB Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CSC2 604418823 ICCKGRCMMMEDTB-CYBMUJFWSA-N 356.451 2.154 0 40 FEAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@H](OC(F)F)C1 606443346 SRAYQLASTDAVHY-VIFPVBQESA-N 368.789 2.165 0 40 FEAB O=C(N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1)C1(F)CCC1 585111556 WAWDFXXZIICVRL-UHFFFAOYSA-N 357.433 2.434 0 40 FEAB O=C(O)c1ccccc1CN1CCO[C@@](CO)(Cc2ccccc2F)C1 585279474 ZMCKOQBNCKBMJW-FQEVSTJZSA-N 359.397 2.330 0 40 FEAB O=C1C[C@@]2(COCCN(Cc3ccncc3)C2)CN1Cc1ccccc1 585104843 UUQQVIWJKQFTGD-NRFANRHFSA-N 351.450 2.333 0 40 FEAB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 3189351 SFEPWBVYIRQUKR-XNTDXEJSSA-N 367.317 2.270 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154533 GRMOVDOEOJVDDH-IBGZPJMESA-N 373.384 2.160 0 40 FEAB Cc1nc(C)n([C@H](C)CNC(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C)n1 12195921 GSZWQJQJKWQNNB-RLFDGXBXSA-N 359.405 2.150 0 40 FEAB S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1 12602387 RXUYUMJIJXCVCX-YESZJQIVSA-N 362.543 2.050 0 40 FEAB biogenic,in-vitro COC(=O)c1ccc(CN2CCC3(CC2)NC(=O)c2ccccc2N3)o1 13566354 CHUAWSCGOSTSIP-UHFFFAOYSA-N 355.394 2.214 0 40 FEAB COc1cc(C=O)cc(Br)c1OCC(=O)N1CCSCC1 13608883 WSKQHEFRGJILDR-UHFFFAOYSA-N 374.256 2.224 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 16248475 OCKXQNUTQKPZQR-GOSISDBHSA-N 364.511 2.139 0 40 FEAB Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=S)n1-n1cccc1 16777840 NMTCQJPUMUNBGZ-UHFFFAOYSA-N 357.395 2.203 0 40 FEAB Cn1nccc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19289130 FSTJUFUSQJPXDB-LBPRGKRZSA-N 369.450 2.252 0 40 FEAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cnn(C)c4)[C@H]3C2)cc1 19290702 ZGRPIAUPBSCYJO-MJGOQNOKSA-N 354.454 2.165 0 40 FEAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 19706487 VDGPNJOSHISFKW-KRWDZBQOSA-N 357.433 2.159 0 40 FEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC1CCN(C(=O)C(C)C)CC1 19748309 NEOWSLBTWVXKCG-AWEZNQCLSA-N 362.518 2.369 0 40 FEAB COc1ccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1OC 162681410 ZBGKGFXBPFHLAP-HNNXBMFYSA-N 356.426 2.177 0 40 FEAB CCCN(CC(=O)O)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 656512418 KXVNZVLVBVUDSK-UHFFFAOYSA-N 352.412 2.444 0 40 FEAB FC(F)c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(C2CC2)n1 1888913499 MAMLGTBXRQUWDY-UHFFFAOYSA-N 372.383 2.285 0 40 FEAB COC(=O)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(Cl)cc1 23056416 GUFVKWNYPFEODD-OAHLLOKOSA-N 360.797 2.473 0 40 FEAB O=C(N1CC[C@]2(CCN2S(=O)(=O)c2cccs2)C1)C1(F)CCC1 1614937476 MGCSVYMDXHRYEJ-AWEZNQCLSA-N 358.460 2.006 0 40 FEAB O=C(NC[C@@]1(O)CCCc2occc21)C(=O)Nc1ccc(F)c(Cl)c1 1565523019 FDEHUYYGICUKCE-KRWDZBQOSA-N 366.776 2.351 0 40 FEAB COc1ccc(CC(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)cc1F 1565545587 LFLQZVPCAWXODV-APWZRJJASA-N 364.461 2.335 0 40 FEAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 4249214 IXKPRMKICLGYOM-GFCCVEGCSA-N 367.453 2.321 0 40 FEAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2)c(=O)cc1OC 7456016 CCBBYNSNWSMIGM-UHFFFAOYSA-N 365.389 2.180 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccsc1 8863664 NPHWQSOZHWXJFP-AWEZNQCLSA-N 353.394 2.384 0 40 FEAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)c(C)c1 8954684 BUCRKSTZOIGMOG-UHFFFAOYSA-N 373.434 2.099 0 40 FEAB COc1cc(NC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC 10256234 KNAOVNPUYSIXSJ-AWEZNQCLSA-N 371.393 2.161 0 40 FEAB CN(C)c1ccc(CCNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 11693711 AHDHVAPAYWYUEI-UHFFFAOYSA-N 359.857 2.381 0 40 FEAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]21 2055746132 PIEYOLYOKSXAOH-ROUUACIJSA-N 365.905 2.207 0 40 FEAB CCn1cnc2c(N3CCN(Cc4sc(C)nc4C)CC3)ncnc21 2086865040 CPWFWRPAGWPEJS-UHFFFAOYSA-N 357.487 2.242 0 40 FEAB CC(C)NC(=O)[C@H](C)N1CCN(c2cnc3cc(Cl)ccc3n2)CC1 2086868980 MLRDMNBOZZVSMI-ZDUSSCGKSA-N 361.877 2.318 0 40 FEAB O=C1C[C@@H](N2CCN(C3CCCCC3)CC2)C(=O)N1Cc1ccc(F)cc1 100191250 DVFWECSBTNUNQU-LJQANCHMSA-N 373.472 2.404 0 40 FEAB CCOC(=O)N1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 20900218 QGTCIJKWKBRHJH-UHFFFAOYSA-N 370.453 2.332 0 40 FEAB COc1ccc(CCNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1 102176337 PXOPFYQBYLRRHV-UHFFFAOYSA-N 369.446 2.203 0 40 FEAB CSc1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 22063411 UTLUXRWUTCDANW-KRWDZBQOSA-N 355.463 2.259 0 40 FEAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 55245685 DSAKGMPNLUGZLC-KRWDZBQOSA-N 366.483 2.284 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2cn(CC)c3nc(C)ccc3c2=O)CC1 3017583 AXRSTDIHPMTWLE-UHFFFAOYSA-N 371.437 2.140 0 40 FEAB O=C(Cc1ccccc1)NC[C@H](C(=O)O)N1CCCC[C@@H]1c1cccnc1 3999485 KSYSDRSDSATWKN-RTBURBONSA-N 367.449 2.421 0 40 FEAB biogenic CCOCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4374986 NKFIIUAUWXEARQ-HNNXBMFYSA-N 374.890 2.036 0 40 FEAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CCCC1 34800882 LHVQXWANOWNKPZ-UHFFFAOYSA-N 364.877 2.230 0 40 FEAB Fc1ccccc1Cn1nnc2c(NCCN3CCCCC3)ncnc21 4985322 YUZJSJHXBYERKM-UHFFFAOYSA-N 355.421 2.307 0 40 FEAB C[C@@H](NC(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccccc1 6587433 ZIOCIJFESZIQPR-MRXNPFEDSA-N 360.479 2.368 0 40 FEAB C[C@H](Nc1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc(C(N)=O)cc1 27003960 ZYQJKVYTLLPHQT-LBPRGKRZSA-N 368.393 2.181 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(C)c1)C2 108531136 NEKUICSNYHSSBN-UHFFFAOYSA-N 350.484 2.159 0 40 FEAB Cc1cccn2cc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)nc12 10864415 YFMBTXKDDOLLAN-FQEVSTJZSA-N 362.389 2.373 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCC(C)CC3)C2=O)cc1 36650218 FLZDUBQBWNXQBW-SGHGTVFPSA-N 357.454 2.457 0 40 FEAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 2454074 OQDUHZIXDAFZTG-UHFFFAOYSA-N 362.455 2.045 0 40 FEAB Cn1c(CSc2nccn2-c2cccc(Cl)c2)cc(=O)n(C)c1=O 11395105 BTDUENKXNUUEHH-UHFFFAOYSA-N 362.842 2.215 0 40 FEAB O=C(COc1ccccc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 46048087 YAVOJHPLIKQEAG-OAHLLOKOSA-N 352.862 2.432 0 40 FEAB COc1cccc(C(=O)OCC(=O)COC(=O)c2cccc(OC)c2)c1 3319539 LACQMBDUHHYVQG-UHFFFAOYSA-N 358.346 2.287 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1 3458039 HFHPPCRCIUKNHC-UHFFFAOYSA-N 350.415 2.283 0 40 FEAB COCCCNS(=O)(=O)c1cc(Br)c(C)cc1OC 27530751 PXZXJKUDJWJCFE-UHFFFAOYSA-N 352.250 2.081 0 40 FEAB CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 22276449 GEGONBKEGBLNTM-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB CC(C)Cc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 6049622 OGISUJLMBGULDJ-UTUOFQBUSA-N 362.455 2.015 0 40 FEAB Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 306136577 PXJMKYDVXHYJGB-BHIYHBOVSA-N 355.438 2.168 0 40 FEAB CC(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 9388611 FXBHRLFOKPEZHO-UHFFFAOYSA-N 373.906 2.402 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 39998371 JBBLSOBMMLUMKX-CYBMUJFWSA-N 352.481 2.132 0 40 FEAB COc1cccc(C(=O)Nc2cc(=O)[nH]c3nc(-c4ccccc4)nn23)c1 9331868 OFBFLDNUGDQYPP-UHFFFAOYSA-N 361.361 2.346 0 40 FEAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468801 WLOAFTWTEWAZJX-NRFANRHFSA-N 369.465 2.419 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 14136471 HETCZEAGUUWTPA-GOSISDBHSA-N 357.366 2.002 0 40 FEAB Cn1cc(CCNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cn1 67063576 XVAJXOWMQNQWTL-MRXNPFEDSA-N 350.369 2.024 0 40 FEAB CN(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 6949176 KSXJVUXRFONQBG-OAHLLOKOSA-N 364.471 2.174 0 40 FEAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 80343656 FLBCGZDNOHKYEF-GFCCVEGCSA-N 354.815 2.220 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)CCc1nc(-c2ccsc2)no1 24218067 HZYPAARLLRLAAC-UHFFFAOYSA-N 364.471 2.494 0 40 FEAB CC[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cc(C)on1 16811245 VBJPSRZTNRBSFA-ZDUSSCGKSA-N 373.438 2.426 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnnn3C3CCCCC3)cc2N1 8351576 FFVKAZRBYJGEED-UHFFFAOYSA-N 373.438 2.484 0 40 FEAB CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(c3nc(C)ns3)CC2)C1(C)C 95939798 XUBUESXYHZUUER-KGLIPLIRSA-N 350.488 2.137 0 40 FEAB NS(=O)(=O)Cc1ccc(NC(=O)CNc2ccccc2Cl)cc1 89814347 GPAYBNYKLVYYHY-UHFFFAOYSA-N 353.831 2.179 0 40 FEAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2c2ncccn2)n1 35425955 XULOJUXXEPCSRM-AWEZNQCLSA-N 367.413 2.321 0 40 FEAB biogenic,in-vitro CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC1CCC(F)(F)CC1 408018873 AEJZISHPRJGGHB-ZDUSSCGKSA-N 367.462 2.068 0 40 FEAB NC(=O)c1ncc(Br)cc1NCc1cc2c(nc1O)CCC2 528131666 JUOAVDCCYYEYIF-UHFFFAOYSA-N 363.215 2.144 0 40 FEAB Fc1ccc(CN2C[C@@H]3Cc4cnc(N5CCOCC5)nc4[C@H]3C2)cc1 306138800 SHSWCXOFZHSZIQ-WMZOPIPTSA-N 354.429 2.224 0 40 FEAB CC1(C)[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)[C@H]1C(=O)O 71284585 KURYWWLVUKCXSK-SJORKVTESA-N 373.453 2.406 0 40 FEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccccc1 70639785 BVQYKWKOHFAIBK-SFHVURJKSA-N 362.813 2.311 0 40 FEAB Cn1c(O)nc2cc(C(=O)N3CCC([C@](C)(O)C(F)(F)F)CC3)ccc21 545248768 RAECJUWKFKEHND-INIZCTEOSA-N 371.359 2.444 0 40 FEAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1CO 72321174 JRAUPIWQDIVVCG-CRAIPNDOSA-N 358.394 2.201 0 40 FEAB biogenic,in-vitro CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222816072 KYBMDYKDLCBWKJ-OAHLLOKOSA-N 370.449 2.410 0 40 FEAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)CC)s2)c1 224448135 ZTUKJDOZSUIIBF-UHFFFAOYSA-N 356.429 2.086 0 40 FEAB CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)OC(C)(C)C1 333707231 LMQCQDMLVDUPLZ-OFQRWUPVSA-N 350.463 2.190 0 40 FEAB O=C(c1ccc(Cl)cc1-n1ncnn1)N1CC[C@@]2(O)CCCC[C@H]2C1 94993205 IMGNKRAOCHNISB-SJCJKPOMSA-N 361.833 2.083 0 40 FEAB CNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96241934 VUEYCFDKABHZJT-INIZCTEOSA-N 371.481 2.096 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96106977 QONVUYINUPVWCJ-QGZVFWFLSA-N 353.422 2.248 0 40 FEAB Cc1occc1C(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 248058332 ZKIDNTKCUKCTHX-OAHLLOKOSA-N 366.425 2.349 0 40 FEAB COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)CN1CCCCC1 257278643 ODARSUTUMVGCKV-QGZVFWFLSA-N 354.454 2.461 0 40 FEAB COC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516786 WXMVYJRRSNSDMK-OTWHNJEPSA-N 361.463 2.287 0 40 FEAB Cc1nccn1-c1cc(NCCNC(=O)c2c[nH]c3ccccc23)ncn1 96544716 YXBKXDDRYPYFMV-UHFFFAOYSA-N 361.409 2.294 0 40 FEAB Cc1cccc(COCC[C@@H]2CCOC23CN(S(=O)(=O)C(C)C)C3)n1 575402712 FYDNGZIZMHEKAP-MRXNPFEDSA-N 368.499 2.126 0 40 FEAB O=C(Cc1cccnc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111663 ZOJAWTGSLMYHGV-IBGZPJMESA-N 362.433 2.299 0 40 FEAB Cc1nc(CSCCC(=O)NCc2ccc(-n3cncn3)nc2)cs1 40108123 CSVGJFORKKGJMW-UHFFFAOYSA-N 374.495 2.367 0 40 FEAB O=C(CC(F)(F)F)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156517 JMYGCZXIIZTBHU-INIZCTEOSA-N 356.344 2.363 0 40 FEAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CCN5CCCC5)nc4c23)C1 12145253 UPSOATWTRYHABU-LBPRGKRZSA-N 357.483 2.326 0 40 FEAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)[C@H]2CCOC2)C1 12238866 YFRGDFXBFGDABL-WFASDCNBSA-N 353.426 2.100 0 40 FEAB CN(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13671765 HGODWKRZPCCXKW-UHFFFAOYSA-N 361.467 2.169 0 40 FEAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)NC1CC1 19345851 WJCOOTKGCZXZLX-UHFFFAOYSA-N 364.829 2.002 0 40 FEAB C[C@H](O)CNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19456427 FKWHENWWZVBYEA-BBRMVZONSA-N 364.417 2.003 0 40 FEAB O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1nc2c(s1)CCCC2 19657916 BCFGAISMAWRMEI-UHFFFAOYSA-N 362.499 2.047 0 40 FEAB Cc1nc(C)n(CCC(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)n1 12184881 BNTFQHYNALTKNC-HNNXBMFYSA-N 371.420 2.033 0 40 FEAB Cc1ccn2cc(C(=O)N[C@H](c3nccn3C)C3CCOCC3)nc2c1 571945921 CZJNXXFLMSDEOR-KRWDZBQOSA-N 353.426 2.274 0 40 FEAB O=c1cc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)nc2ccccn12 1888882096 LKAZMVXAOJMSQW-AWEZNQCLSA-N 363.421 2.267 0 40 FEAB O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1cc(F)ccc1F 1888931031 PKWPHJRBRXZNMK-UHFFFAOYSA-N 358.348 2.292 0 40 FEAB O=C(c1ccc2nnc(C3CC3)n2n1)N1CCN(c2ccccc2F)CC1 1889218179 AIVBQIFGIFUMDQ-UHFFFAOYSA-N 366.400 2.103 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1=O 2037985459 KRTUMXSQGYIXCF-LJQANCHMSA-N 362.474 2.096 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 8961850 ZWOAGROPAGIQRN-UHFFFAOYSA-N 366.826 2.404 0 40 FEAB COc1ccc(CC(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 16953627 ILALQNMCMMKONG-HXUWFJFHSA-N 354.450 2.427 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)C(C)(C)C)CC1 2055756414 MDBKUAFFFNKIPA-UHFFFAOYSA-N 361.486 2.268 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 19572965 YUAQQNHDHZQIGH-QAPCUYQASA-N 368.485 2.250 0 40 FEAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 101361101 KXJMSGDMBNHJMB-HOCLYGCPSA-N 370.748 2.361 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 32967031 BZNUPIUCLPLCIE-CQSZACIVSA-N 372.343 2.049 0 40 FEAB C[C@H](C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccsc2)CC1 54363630 WURJSWJBFXSSEL-GFCCVEGCSA-N 364.496 2.380 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 105770241 VNVIKPMFEVIGDB-YDZRNGNQSA-N 361.530 2.358 0 40 FEAB O=C(Nc1ccn(CCOC(=O)c2ccccc2)c(=O)n1)c1ccccc1 1625223 BLTYESBKWJILPB-UHFFFAOYSA-N 363.373 2.353 0 40 FEAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2C)NC(=O)NC1 24837371 QEAIUBGPQLMOLA-UHFFFAOYSA-N 372.450 2.403 0 40 FEAB CCC(CC)(CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)N(C)C 43381505 OBVIIDGNCPQGIW-UHFFFAOYSA-N 370.519 2.179 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6306807 MOPKAZXYCYBPJV-UHFFFAOYSA-N 368.499 2.449 0 40 FEAB CCNC(=O)c1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1 52937318 QPCDMMAKPWELGN-UHFFFAOYSA-N 364.405 2.175 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 8237609 NUIQLVAJTVJSPB-UHFFFAOYSA-N 362.451 2.102 0 40 FEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCC(C)CC2)N[C@@H]1c1ccc(F)cc1 8559815 CGAHEZWJOBJDIX-JKSUJKDBSA-N 361.417 2.264 0 40 FEAB COc1ccccc1CNC(=O)CN(C)Cc1ccc2c(c1)OCCO2 10050672 LVYNENBZCAGLMW-UHFFFAOYSA-N 356.422 2.215 0 40 FEAB CCC[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc(C)on1 10214045 QCFPMFZKZWFFOH-CYBMUJFWSA-N 370.365 2.184 0 40 FEAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3O)CC2)cc1 12534882 PWHBNYFMNVOXMP-SFHVURJKSA-N 370.449 2.157 0 40 FEAB Cc1cc(NC(=O)CN(C)C(=O)Cc2ccc(OC(F)F)cc2)no1 53308459 GAWWBCZJBVINRD-UHFFFAOYSA-N 353.325 2.224 0 40 FEAB CC1(C)Cc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)CO1 2250149 MEUXWGLAWJLQHL-UHFFFAOYSA-N 370.434 2.343 0 40 FEAB CCC[C@H](c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1 57670024 NBNKFTXBYRAVDY-QGZVFWFLSA-N 362.453 2.122 0 40 FEAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2c(c1)CCC2 10794766 XDKPDCHZQZXBQL-LBPRGKRZSA-N 373.430 2.251 0 40 FEAB O=C(N[C@H]1CN=C2CC=C(C(F)(F)F)C=[N+]2C1=O)OCc1ccccc1 59690455 UEHSFWXUQBVOOZ-ZDUSSCGKSA-O 366.319 2.196 0 40 FEAB COc1ccccc1CNC(=O)[C@H](C)N1CCCN(c2nccs2)CC1 60099622 XYZSSWUCECGQIJ-HNNXBMFYSA-N 374.510 2.369 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100573445 UDMZIZQOKPBLNY-ULQDDVLXSA-N 356.422 2.275 0 40 FEAB CC(=O)NCCC(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 2656925 NMZIASZUALJOFP-UHFFFAOYSA-N 370.405 2.274 0 40 FEAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc2ncccc12 12391715 KHVZIIRLQDWZSD-UHFFFAOYSA-N 360.373 2.267 0 40 FEAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H]1CCS(=O)(=O)C1)CO3 57140601 VIWCIPHTANKRMI-CQSZACIVSA-N 363.435 2.003 0 40 FEAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1nnnn1C(C)(C)C 100427241 QMQLVTPAXOKWTP-HUUCEWRRSA-N 362.522 2.476 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(F)cc1 20245152 YEUFMVUOFHHJEB-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C[C@@H](C)O1 12600491 SJVDFYRIXQUXOH-DTORHVGOSA-N 361.225 2.368 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2n1 3466851 JPVPSELTMVYKNI-UHFFFAOYSA-N 371.422 2.243 0 40 FEAB CC(C)(C)c1ccc(OC[C@H](O)Cn2nnn(-c3ccccc3)c2=O)cc1 12922120 LZYOLXGOICIVEB-QGZVFWFLSA-N 368.437 2.166 0 40 FEAB COc1ccc(CCNC(=O)COc2ccccc2C(=O)O)cc1OC 13080210 YJPNGRAYVMJTFT-UHFFFAOYSA-N 359.378 2.140 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 71329996 MXFKJSGGUQBBBR-UHFFFAOYSA-N 363.421 2.443 0 40 FEAB COc1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cn1 96001070 FPOOHPGYRFURBG-HNNXBMFYSA-N 366.377 2.354 0 40 FEAB O=C(C1=CCCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306144694 ZMHIZTWOZPSYTB-HNNXBMFYSA-N 352.442 2.244 0 40 FEAB COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=S)Nc1ccccc1 5215519 NNJKRZBHSBAUTK-QLFBSQMISA-N 361.467 2.058 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccc(C)cc1 14022314 YHYKTVLALULFQO-UHFFFAOYSA-N 355.394 2.331 0 40 FEAB O=C1CN(c2c(F)c(F)c(C(=O)c3ccccc3)c(F)c2F)CCN1 9336289 CJIVKWCIXFNSDF-UHFFFAOYSA-N 352.287 2.410 0 40 FEAB CN(C)c1cccc(CNC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)c1 65624761 FYMVDQDDUBLUNV-UHFFFAOYSA-N 354.435 2.208 0 40 FEAB COc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2ccncc2)cc1 4500826 QLAAYFQOTPYNMJ-NSHDSACASA-N 355.423 2.304 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CCCC3)CS[C@H]21 5561747 LEEYEIVIWVAOTG-KPZWWZAWSA-N 362.451 2.332 0 40 FEAB Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccncc3)cc21 408534402 VLGFVZFTTVWNFD-UHFFFAOYSA-N 351.410 2.125 0 40 FEAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)c1 15081689 ZPOFWRXKNMGXOO-UHFFFAOYSA-N 369.356 2.295 0 40 FEAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 7087827 KJUSTBDILCVBCC-KRWDZBQOSA-N 353.369 2.037 0 40 FEAB Cc1nsc(N2CCCN(C(=O)CCn3cnc4ccccc43)CC2)n1 81303676 KLNNFAPLNCPLGF-UHFFFAOYSA-N 370.482 2.325 0 40 FEAB O=C(CCc1ccc2c(c1)OCO2)NCC1(N2CCOCC2)CCCCC1 71872169 LVXULMSTDAYLGB-UHFFFAOYSA-N 374.481 2.499 0 40 FEAB CC(C)C(NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)C(C)C 20245621 OYJSCKZZLQPWBG-UHFFFAOYSA-N 355.504 2.340 0 40 FEAB Cc1cc(F)ccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9613955 WKBBCCNLSCZETA-HXUWFJFHSA-N 367.380 2.466 0 40 FEAB Cc1nc(C(=O)NCc2ccc3c(c2)OCCO3)nn1-c1ccc(F)cc1 17860735 QJRWPFUVSYBLDQ-UHFFFAOYSA-N 368.368 2.416 0 40 FEAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cnc2sccn2c1=O 28233879 LJEILKWZNHRMNC-UHFFFAOYSA-N 369.381 2.392 0 40 FEAB CCOC(=O)c1sc(NC(=O)CN2[C@@H](C)CCC[C@@H]2CO)cc1C 89984800 MHAHHFTUZALUEV-QWHCGFSZSA-N 354.472 2.407 0 40 FEAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O 60350362 JCAKLCZRYLBEMO-GFCCVEGCSA-N 373.428 2.456 0 40 FEAB Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)on1 36651844 LLBURICSEUZUQT-UHFFFAOYSA-N 367.394 2.214 0 40 FEAB CC(C)c1ccc(OCC(=O)NS(=O)(=O)[C@@H]2COC(C)(C)C2)cc1 529104251 JAYQSPGGQKZOMH-HNNXBMFYSA-N 355.456 2.202 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373086 ZIYLVFQQNYTHKO-IRXDYDNUSA-N 372.513 2.160 0 40 FEAB Cc1cc(S(N)(=O)=O)cc(NS(=O)(=O)/C=C/c2ccccc2)c1C 8111357 YYCSEBHITWGLLV-CMDGGOBGSA-N 366.464 2.363 0 40 FEAB O=C(NCCN1CCOCC1)c1ccnc2c(Br)cccc12 72243413 AGOJWFJOVBVUHC-UHFFFAOYSA-N 364.243 2.059 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCn1nnc(-c2ccc(F)cc2)n1 35315399 NMAJEYBQAXHNLR-UHFFFAOYSA-N 351.341 2.166 0 40 FEAB Cc1cc2c(o1)c1cnn(CC(=O)N[C@@H](C)c3ccncc3)c(=O)c1n2C 72335338 ZOSSAIIMARICKV-LBPRGKRZSA-N 365.393 2.062 0 40 FEAB COCC(=O)N1CCC[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 72349250 PLXLLYANHYEQNN-INIZCTEOSA-N 353.422 2.200 0 40 FEAB COc1cccc(CNC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c1 40119184 ZHCLXRJIEDUDNB-UHFFFAOYSA-N 371.466 2.467 0 40 FEAB Cn1nc2c(c1CNC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2 225817385 FOFHRROWTOKPGC-LBPRGKRZSA-N 372.856 2.232 0 40 FEAB CCc1nn(C)c2n[nH]c(NC(=O)[C@H](C)N3CCc4ccccc4C3)c12 329762333 SNGWNIYOGNHHHP-LBPRGKRZSA-N 352.442 2.244 0 40 FEAB Cn1cc(CN2CCC3(CC2)CO[C@H](COCc2ccccn2)C3)cn1 96209783 PTMNSILBHOVPOA-IBGZPJMESA-N 356.470 2.403 0 40 FEAB CNC(=O)c1cc2c(nc1N(C)C)CCN(CCc1ccccc1)CC2 96260315 SMFTWWRXZIJGMV-UHFFFAOYSA-N 352.482 2.151 0 40 FEAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCOCC1 96232590 FJPUGAMRGORRBL-UHFFFAOYSA-N 355.419 2.052 0 40 FEAB CCc1ccc(C(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cc1 96214960 WOVCZFLAVRGQLG-GOSISDBHSA-N 350.484 2.279 0 40 FEAB COc1ccc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)cc1 96052023 IMJWWMLLRMXRHX-CTNGQTDRSA-N 360.498 2.399 0 40 FEAB COc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)C3(CCOCC3)C2)cc1 96240788 AAAIWLQSBZXREL-QGZVFWFLSA-N 360.454 2.089 0 40 FEAB CNc1nccnc1[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCO1 257324507 WOZRHWHLXTXHTR-HNNXBMFYSA-N 356.401 2.289 0 40 FEAB O=C(Cc1cccnc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 253409271 ZWVUFMNMKRPRFC-UHFFFAOYSA-N 365.359 2.218 0 40 FEAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCC(N)=O)[C@@H]3C[C@H]21 257238796 HMOJHGVKQTVFRE-UMHPPVOVSA-N 358.438 2.170 0 40 FEAB CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCO2)c1 257231937 GIUACOOHUQYABH-QGZVFWFLSA-N 353.422 2.294 0 40 FEAB CC1CCN(C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)C)C3)n2)CC1 257341163 ZJBZWCMWDSSWNU-INIZCTEOSA-N 358.486 2.258 0 40 FEAB COc1ccc2c(NC[C@@H]3CCO[C@H]3c3cnn(C)c3)ncnc2c1F 591193105 HIAGOEIXDRHMGF-APPDUMDISA-N 357.389 2.701 0 40 FEAB O=S(=O)(Cc1noc(C2CC2)n1)Cc1cccc2c1OC(F)(F)O2 629316349 LKTXCWQUIIBQJB-UHFFFAOYSA-N 358.322 2.384 0 40 FEAB Cc1c(F)cccc1C(=O)N[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1C 1775996871 LIRNUJJLIQLUMW-KSSFIOAISA-N 372.444 2.388 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccc(-c2cccs2)n1 96103842 ZZJUUBIUAPLIMN-UHFFFAOYSA-N 368.418 2.336 0 40 FEAB Cc1cccc2nc(CNC(=O)N3CCN(c4ncccc4F)CC3)[nH]c12 677964045 VYYZIMYHUCGFHH-UHFFFAOYSA-N 368.416 2.437 0 40 FEAB COc1ccccc1OCCNC(=O)N1CCN(c2nccs2)CC1 54919779 IQMSWUPCAIFCHP-UHFFFAOYSA-N 362.455 2.062 0 40 FEAB CCCCc1noc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)n1 40106338 HHHXPTFJDXKCGD-UHFFFAOYSA-N 373.381 2.244 0 40 FEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc2c1OCCO2 57115832 AFTQENKOJNJRIJ-UHFFFAOYSA-N 371.317 2.235 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccncc4)C3)ncc2C1 19018431 JPYPWZCGUIPGGD-KRWDZBQOSA-N 351.454 2.156 0 40 FEAB COc1ccc(C2(CN3CCC(NC(=O)[C@@H]4CCCO4)CC3)CC2)cc1 19553637 IITARMMNHWNTGG-IBGZPJMESA-N 358.482 2.486 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2ccccn2)C1 19562030 CACVVCSUHUUOGM-FQEVSTJZSA-N 351.406 2.051 0 40 FEAB CCCc1cc(C(=O)N2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)no1 19525279 UFLKDWPIOWSDJC-GFCCVEGCSA-N 368.397 2.405 0 40 FEAB CCOc1ccccc1NC(=O)Cn1c(NCCO)nc2ccccc21 5185114 IFPCRMAVYQGRGJ-UHFFFAOYSA-N 354.410 2.478 0 40 FEAB COc1ccccc1CCNC(=O)CN1C(=O)COc2ccc(Cl)cc21 23389575 ZVKIFMLUYXWRBP-UHFFFAOYSA-N 374.824 2.433 0 40 FEAB O=c1c2ccccc2cnn1Cc1nnc(S)n1[C@@H]1C[C@H]2C=C[C@H]1C2 100189559 VJLNIPBZTXRVDF-SLEUVZQESA-N 351.435 2.462 0 40 FEAB Cc1cnc(C)c(OC2CCN(c3cc(=O)n4ccccc4n3)CC2)n1 2087018045 KKQDRWQXXGPUIA-UHFFFAOYSA-N 351.410 2.149 0 40 FEAB COC1(CC(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)CCC1 1565548476 ZFGLLIXZYGHRKN-UHFFFAOYSA-N 373.497 2.234 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(F)cc3)n2)cc1 9660844 HSFBHTHERKQTFD-UHFFFAOYSA-N 367.380 2.488 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](c4ccccc4)C3)cc21 8783080 KTPIFCPIADXTDR-AWEZNQCLSA-N 358.419 2.310 0 40 FEAB CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1 30762998 KLNSGVZXPBUBIU-INIZCTEOSA-N 366.483 2.159 0 40 FEAB O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)Nc1cccc(F)c1 51316856 NVTQXHYZLNIBQF-UHFFFAOYSA-N 369.381 2.397 0 40 FEAB O=C1CN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CCN1 32095505 LZJVYXTZYZIFJO-UHFFFAOYSA-N 363.417 2.179 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1CCCO1 804599 CHQOWKKOIQKQBC-SFHVURJKSA-N 374.462 2.325 0 40 FEAB O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 871862 NYZHZJHFRWFPHN-MRXNPFEDSA-N 365.311 2.348 0 40 FEAB CCOC(=O)c1sc2ncn(CC(=O)O[C@H](C)CC)c(=O)c2c1C 921182 VKNNQNFMDZJZMJ-SECBINFHSA-N 352.412 2.285 0 40 FEAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccc2c(c1)OCO2 1470031 RCKHORNCEOONEF-AWEZNQCLSA-N 351.443 2.169 0 40 FEAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 3093635 QJDAABWUDJCTNE-UHFFFAOYSA-N 372.402 2.343 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 3310101 CKDHBIRJLGISPM-UHFFFAOYSA-N 362.769 2.489 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 3464915 ITOHMALCCPKFJW-UHFFFAOYSA-N 370.192 2.366 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CCCCCC2)c1C 3544318 DGPFVLZWZPYZDG-UHFFFAOYSA-N 350.415 2.414 0 40 FEAB CCC(=O)Nc1cc(NC(=O)CSc2nc(N)cc(N)n2)ccc1C 4171047 UYKZFEGVRUNKKM-UHFFFAOYSA-N 360.443 2.029 0 40 FEAB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C 4386560 JWXROCAHAOTHRP-DHZHZOJOSA-N 363.421 2.017 0 40 FEAB CCn1c(=O)c(C(=O)NCCc2cccc(OC)c2)cc2cccnc21 5304144 DCBVKAYFFKITOS-UHFFFAOYSA-N 351.406 2.398 0 40 FEAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 5488495 SXFCYCJQGABTTK-UHFFFAOYSA-N 373.478 2.487 0 40 FEAB CCC(c1c(O)c2cccnc2[nH]c1=O)c1c(O)c2cccnc2[nH]c1=O 6024357 KSLZTYDWQWDPIB-UHFFFAOYSA-N 364.361 2.113 0 40 FEAB O=C(COC(=O)c1c[nH]c2ccccc12)NC[C@@H]1COc2ccccc2O1 6115166 KMKJWHLLVWJXGR-CYBMUJFWSA-N 366.373 2.281 0 40 FEAB Cn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)c2ccccc2c1=O 6987834 LTTXVJQHBXHGLV-UHFFFAOYSA-N 362.389 2.313 0 40 FEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)[C@@H]1C 7620121 JRIJPFROMGRPCH-KFWWJZLASA-N 374.437 2.469 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N[C@H]1CCCc2ccccc21 7954533 FDBAKJVTMFKKLU-SFHVURJKSA-N 363.421 2.446 0 40 FEAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCNC1=O 8313143 OCOLWCJAZQHXDM-NSHDSACASA-N 357.439 2.177 0 40 FEAB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)C2 8336790 XMPMFLKHWMZQIQ-ZVBGSRNCSA-N 351.406 2.468 0 40 FEAB Cc1ccc2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cn2c1 9337434 XMPYVHRRVPBOIR-HXUWFJFHSA-N 362.389 2.373 0 40 FEAB C[C@@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccc2c(c1)CCCC2 9877304 XNTCOPFTXZOFDY-LLVKDONJSA-N 358.467 2.200 0 40 FEAB Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 12087596 YPXCTWJYIRAACQ-JLTOFOAXSA-N 367.453 2.002 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(Cn4nnc5ccccc54)nc3c2c1C 12144885 VBJFMKQGVAGGCI-UHFFFAOYSA-N 365.422 2.281 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)n12 12276692 YEVPXHHMDVPZJX-OKILXGFUSA-N 367.453 2.111 0 40 FEAB CCS(=O)(=O)Nc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1 12526193 JRZGVIWWSNESAT-UHFFFAOYSA-N 355.504 2.297 0 40 FEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(Cl)ccc1Cl 12811840 DXPUXDKNJCNQSA-UHFFFAOYSA-N 356.253 2.486 0 40 FEAB COc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12876018 IJVQOMRDZUPCGF-GFCCVEGCSA-N 354.410 2.324 0 40 FEAB O=C1COc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1 12905992 WHEVNNQPONXWKM-UHFFFAOYSA-N 365.433 2.412 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 12912580 RFDRHBIBPGBASL-INIZCTEOSA-N 357.385 2.189 0 40 FEAB CCOc1ccc2c(c1)C(=O)C(=O)N2CCS(=O)(=O)c1ccccc1 13628528 JWFIGWNOUXQORM-UHFFFAOYSA-N 359.403 2.089 0 40 FEAB O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(Cl)cc1Cl 13638221 KUASVSKCSVPSLD-UHFFFAOYSA-N 369.204 2.197 0 40 FEAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N(C)C 15564024 JJONWLQQCPNFJZ-UHFFFAOYSA-N 370.377 2.476 0 40 FEAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc(C)cs3)c2C)n1 16849618 GWEAQSPUQGDRNL-UHFFFAOYSA-N 372.454 2.217 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)C[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 17075304 WJXZXBZHONCJPI-UIVXKWKOSA-N 366.502 2.162 0 40 FEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2S(C)(=O)=O)n1 19689635 DWHBJHGSNICIJI-HNNXBMFYSA-N 364.446 2.445 0 40 FEAB C[C@H](c1cc(=O)[nH]c(N2CCCCCC2)n1)n1ncc2ccccc2c1=O 19717685 SLDRUSSELIAQDO-CQSZACIVSA-N 365.437 2.470 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)ccc2OC)c1 24257392 ICWGGKBJFWJOSP-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB Cc1ccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)no2)cc1 25584631 RYHAXZAZVPPAPH-UHFFFAOYSA-N 368.784 2.489 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC(=O)N(C)C 25793547 ZCOPVMRZAPVAQZ-UHFFFAOYSA-N 351.756 2.317 0 40 FEAB CN(C)C(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 26549278 XXHUWFBYWAXBMB-UHFFFAOYSA-N 374.462 2.443 0 40 FEAB O[C@@H](CN1CCN(C[C@H](O)c2ccccc2F)CC1)c1ccccc1F 26897793 OHSOZSCGACZDJM-PMACEKPBSA-N 362.420 2.349 0 40 FEAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 27395710 VPHDQYKPVKFMMJ-GFCCVEGCSA-N 352.847 2.182 0 40 FEAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)N3CCOCC3)o2)c1 32911251 ACWOBIBFFKPMTJ-ZDUSSCGKSA-N 363.439 2.296 0 40 FEAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)Cc1nc(C2CC2)no1 32929822 RXWHYKDYFPKBRL-UHFFFAOYSA-N 370.814 2.487 0 40 FEAB CCOc1ccccc1/C=C/C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 32986140 IIIJAINUMPAOSY-DXRVJIQQSA-N 352.390 2.378 0 40 FEAB O=C1C[C@H](C(=O)NCc2ccc(-n3ccnc3)nc2)c2ccc(F)cc2N1 33043913 FMJWFCBYPBOLQU-HNNXBMFYSA-N 365.368 2.149 0 40 FEAB C/C=C(/C)C(=O)O[C@H]1[C@H]2O[C@H]2[C@@]2(CO2)[C@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 35458203 SZSNPNCTSHASFJ-YJNROIJBSA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro Cc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38848796 IQYWSONEXBJOOL-GOSISDBHSA-N 374.462 2.147 0 40 FEAB O=C(CCNC(=O)c1ccoc1)NCc1cccnc1OC1CCCC1 40089408 YVIBOKYWWXJFBC-UHFFFAOYSA-N 357.410 2.432 0 40 FEAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC2(O)CCCCC2)C1=O 40158421 RNVVFRAHMYUFQF-LJQANCHMSA-N 374.437 2.310 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 42070933 ILPWALPPFBZKNM-LBPRGKRZSA-N 366.414 2.240 0 40 FEAB Cn1c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccccc21 44443746 JODVDPXDZFSFJJ-UHFFFAOYSA-N 374.441 2.223 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 44949799 CFSOHYOKRPQOED-GFCCVEGCSA-N 359.879 2.105 0 40 FEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(F)c1 48365307 ZJAZDIGOMDOODY-UHFFFAOYSA-N 357.334 2.401 0 40 FEAB CCOc1ccc(CC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482947 ZELSWLGPFCQBOL-UHFFFAOYSA-N 365.393 2.094 0 40 FEAB O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)N[C@@H]1CCCc2ccccc21 52929535 FJQHNQMZQRWMAE-AZUAARDMSA-N 369.509 2.418 0 40 FEAB Cc1cc(C(=O)NCC(=O)N2CCCN(Cc3ccccc3)CC2)c(C)o1 55515049 PIXDEHBBKZHBHL-UHFFFAOYSA-N 369.465 2.361 0 40 FEAB CCN(CC)Cc1ccccc1NCC(=O)NC(=O)NCC(F)(F)F 55869177 BKGOCCLEDCBSRB-UHFFFAOYSA-N 360.380 2.328 0 40 FEAB O=c1c2ccccc2nnn1C[C@@H](O)CO[C@H]1CCCc2ccccc21 58014240 VYTYKRSBHZCQRE-BEFAXECRSA-N 351.406 2.247 0 40 FEAB C[C@@H](CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)CN1CCCC1=O 58138185 IZGHXSKAEUBRKJ-GXTWGEPZSA-N 350.846 2.266 0 40 FEAB CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 58161007 CTSMJRRRASDSDK-AWEZNQCLSA-N 364.456 2.386 0 40 FEAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CC3)CC1)O2 72328062 GWQFLNDFURPMCY-SZNDQCEHSA-N 370.449 2.379 0 40 FEAB O=S(=O)(NCC[C@@H](O)c1ccco1)c1ccccc1Br 77111889 HHPMOQOVKRIGKL-LLVKDONJSA-N 360.229 2.444 0 40 FEAB O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 78469943 NVSBFGUWULBKIV-UHFFFAOYSA-N 358.778 2.211 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 78769050 QFMUDABRYBBOQC-MRXNPFEDSA-N 370.478 2.097 0 40 FEAB CC(C)Oc1cccnc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 79406494 CPIZATZBHFDANS-HNNXBMFYSA-N 370.453 2.419 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 80611197 QUXVCOYCRHZBKJ-KRWDZBQOSA-N 369.469 2.052 0 40 FEAB O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1cnc(-c2ncccn2)s1 95425294 KIFKXNTWWJECRH-CYBMUJFWSA-N 368.418 2.273 0 40 FEAB O=C(Nc1cccnc1N1CCCC1)N1CCCC[C@@H]1Cn1ccnn1 95942206 YPYKRNMINQXCDB-OAHLLOKOSA-N 355.446 2.360 0 40 FEAB Cn1ccc(C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)cc1=O 95957294 AUQNLHVNTQUJSV-UHFFFAOYSA-N 359.389 2.271 0 40 FEAB CCOC(=O)NCCNC(=O)c1cc2ccccc2nc1N1CCCC1 95957404 NHGSDFPUBFEEAX-UHFFFAOYSA-N 356.426 2.311 0 40 FEAB CC(C)(O)c1cn(C2CN(C(=O)CSc3ccc(Cl)cc3)C2)nn1 95998116 IZVNRPPJYWVOEM-UHFFFAOYSA-N 366.874 2.335 0 40 FEAB CC(C)C(=O)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244229 RCKDAWFNFZHXHG-IBGZPJMESA-N 356.426 2.338 0 40 FEAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)NCC(C)C)CC2 96260565 OROZZTOKLJIJBS-UHFFFAOYSA-N 373.501 2.029 0 40 FEAB COc1ccc(CCNC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1OC 100260456 BDEHODMHARKRHU-WOJBJXKFSA-N 361.438 2.484 0 40 FEAB O=c1c(CN2CCSCC2)coc(O)c1CN1CCc2ccccc2C1 101373424 UHHONGJKXLIQGI-UHFFFAOYSA-N 372.490 2.453 0 40 FEAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 106821937 FEIRGXCUOQWQQW-XDNAFOTISA-N 362.360 2.181 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccn1 111999968 AASORRDMVSTGON-OAHLLOKOSA-N 362.328 2.065 0 40 FEAB N[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538953 JJIKVSIYIUJRRX-SQWLQELKSA-N 351.811 2.062 0 40 FEAB O=C(NCc1cccs1)[C@H]1CN(CC2CCOCC2)Cc2cncn21 247475527 HAGIBZJBVXSHQV-QGZVFWFLSA-N 360.483 2.044 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4csc(C)n4)CCO3)C2)no1 248066942 XHILYRUJAKBTRX-CQSZACIVSA-N 363.439 2.338 0 40 FEAB COc1cc(CN2Cc3ccnn3C[C@H](CCN(C)C)C2)cc(OC)c1 248139582 SXUUODKXWPAMIM-MRXNPFEDSA-N 358.486 2.484 0 40 FEAB COC(=O)[C@@H]1CCC2=C3CC[C@]4(O)C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 253596984 YVGMAPVRFOPJJK-SWYDZNJFSA-N 364.482 2.331 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 257199792 AAVIZHPSLKFIEF-QGZVFWFLSA-N 355.486 2.416 0 40 FEAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)ccn1 257232061 GJHHMTSAJIQUOK-KRWDZBQOSA-N 364.409 2.122 0 40 FEAB CNc1cc(C)nc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)c1 257241861 HZXXRCSQPKHFQW-QGZVFWFLSA-N 353.426 2.313 0 40 FEAB Nc1cnc(C[C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)CC2)cn1 257246603 IUVMPHNYXJUELZ-CYBMUJFWSA-N 352.442 2.211 0 40 FEAB CN1CCC(N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)CC1 257247649 IZXZCFSONVOALV-UHFFFAOYSA-N 354.502 2.226 0 40 FEAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257291583 QHQAFJPFSBTCEV-ZDUSSCGKSA-N 358.467 2.335 0 40 FEAB c1cnc(Nc2cc(C[C@H]3CCCN(Cc4cc[nH]n4)C3)ncn2)cn1 257329730 XLGPPXFDVIQEGS-CQSZACIVSA-N 350.430 2.188 0 40 FEAB Cc1cc(C)nc([C@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257343489 ZTFUFMYGOORXAE-QGZVFWFLSA-N 357.410 2.130 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCC[C@H](O)CC1 297263783 KECDHUBPVWJIJT-WFASDCNBSA-N 369.824 2.141 0 40 FEAB COc1cc(N2Cc3ccnn3[C@H](CCOCc3cccnc3)C2)ncn1 306124310 BMMFDAOQOIAPNI-QGZVFWFLSA-N 366.425 2.245 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 306124906 CBYLNNKMCSGWQL-HOTGVXAUSA-N 374.448 2.230 0 40 FEAB CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 502383215 PWXXTNJHPXEJFL-KBXCAEBGSA-N 359.474 2.434 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CN[C@@H](C)c1ncccc1F)CC2 528827262 ZVSRPEPEXSIHBH-ZDUSSCGKSA-N 373.428 2.473 0 40 FEAB CN1CCN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@@H]1Cc1ccccc1 552457906 KXLIGNXPJKOFEJ-SFHVURJKSA-N 363.465 2.414 0 40 FEAB CCc1nc(CNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cs1 562843486 FPQNISMNVUFFIX-QWHCGFSZSA-N 358.467 2.196 0 40 FEAB O=C1N(Cc2cncs2)C[C@@]12CCCN(Cc1cnc(Cl)cn1)C2 585099393 HWSCBUFOOUEXCY-INIZCTEOSA-N 363.874 2.211 0 40 FEAB CNC(=O)c1cc(O[C@@H]2CCCN(c3nc(C)nc4[nH]ccc34)C2)ccn1 624380203 YBZKSGQHRUCLPO-CQSZACIVSA-N 366.425 2.069 0 40 FEAB CN(C(=O)Nc1cccc(OCc2cscn2)c1)[C@H]1C[C@@H](C(N)=O)C1 626346287 MLOVEAYRKFLADD-VDISTLRHSA-N 360.439 2.450 0 40 FEAB Cc1cccnc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644351814 MDRJVTJEFQXROW-OAQYLSRUSA-N 353.466 2.423 0 40 FEAB COc1nccc2cc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)ccc12 653580122 WCKGUCSMMNKTBG-MRXNPFEDSA-N 356.426 2.182 0 40 FEAB Cc1csc(CCCC(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)n1 671635544 CKYITDSQYISAPC-ABAIWWIYSA-N 350.444 2.454 0 40 FEAB COc1ccc([C@H](NC(=O)c2cc3n(n2)CCO3)C(F)(F)F)cc1F 685939934 NOYRAHMRFONWGG-ZDUSSCGKSA-N 359.279 2.457 0 40 FEAB CN1CCC(n2nccc2NC(=O)c2ccccc2-c2nc[nH]n2)CC1 1506398880 HGGCZCBMENCQNB-UHFFFAOYSA-N 351.414 2.187 0 40 FEAB O=C(c1ccccc1F)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615157928 CWRZRBVCAVKEDI-ZWKOTPCHSA-N 353.434 2.361 0 40 FEAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2ccc(Cl)cc2C)C3)n[nH]1 1775958187 JBPVOFNIXREXCR-HNNXBMFYSA-N 359.861 2.246 0 40 FEAB O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc4c(n3)CCCC4)CC2)O1 1775958316 QUDBQKDHABPNNU-ZWKOTPCHSA-N 358.438 2.445 0 40 FEAB Cc1nc2c(c(N3CCN(c4ncnc5c4CCCC5)CC3)n1)CCC2 1888850018 PMKLCTXWVMGDHK-UHFFFAOYSA-N 350.470 2.269 0 40 FEAB Cc1cnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc1 1888888199 SVFWFCKUQTXFQZ-UHFFFAOYSA-N 351.458 2.452 0 40 FEAB Cn1c(N2C[C@@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc2ccccc21 1888890492 JRJPFCIDFKEHAB-KBPBESRZSA-N 365.412 2.316 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1=O 2037985759 VIPDCCZNCKWFPR-LJQANCHMSA-N 362.474 2.096 0 40 FEAB O=C(NCc1cccs1)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713520 ZNWLADJWJPRYBK-ZDUSSCGKSA-N 358.467 2.059 0 40 FEAB COCCN1C(=O)CCC12CCC(NC(=O)c1csc(C)n1)CC2 2055819321 XSSVEPRHKCFTDQ-UHFFFAOYSA-N 351.472 2.132 0 40 FEAB Cc1cc(N2CCN(CC3(O)CCCCC3)CC2)nc(N2CCCC2)n1 2298188602 OMAFDBANXSTXAO-UHFFFAOYSA-N 359.518 2.202 0 40 FEAB COc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c(OC)c1 1222273 RHMUUBDNWLFDMD-UHFFFAOYSA-N 353.378 2.361 0 40 FEAB CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC(C(N)=O)CC3)n2)cc1 78870060 BXAXJNSOQPSEKF-UHFFFAOYSA-N 356.426 2.039 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)NCCN1CCN(C)C[C@H]1c1ccccc1 106077281 NSYBLNQPKDYRCU-HOCLYGCPSA-N 373.419 2.059 0 40 FEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC1(c2ccccc2)CCC1 56322142 INSOEOPCCREWET-UHFFFAOYSA-N 362.451 2.396 0 40 FEAB CC(=O)N1CCC(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 44112924 YIJQPUSNNLJFLT-UHFFFAOYSA-N 361.829 2.394 0 40 FEAB CC(C)(C)CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 27363660 YZGAJSFETVHTQM-AWEZNQCLSA-N 363.483 2.152 0 40 FEAB CCOc1c(Cl)cc(CNC(=O)NCC(=O)N2CCCC2)cc1OC 58168871 HTCGNGSCTPEUJM-UHFFFAOYSA-N 369.849 2.169 0 40 FEAB Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)ccc12 2158039 NSTZDWNJRDSQJA-GOSISDBHSA-N 367.357 2.292 0 40 FEAB biogenic NC(=O)NCCCCCC(=O)NCc1cccc(OCC(F)(F)F)c1 58168026 ICEZWMQNNNDJBM-UHFFFAOYSA-N 361.364 2.473 0 40 FEAB CSc1nnc(C)n1NC(=O)COc1ccc(Br)cc1 107636011 LSZDHGDBXUJNFE-UHFFFAOYSA-N 357.233 2.220 0 40 FEAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F 10731067 RVLWAOWVICMVFE-UHFFFAOYSA-N 360.360 2.470 0 40 FEAB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccnc3)c2C(N)=O)C1 2375954 GPWMRUMQTSLHLM-SECBINFHSA-N 374.491 2.494 0 40 FEAB O=C1N[C@H](C(=O)NC2CCCCC2)CS[C@H]1Cc1ccccc1F 29506469 FBAGDDQWMJMVEL-HOTGVXAUSA-N 350.459 2.417 0 40 FEAB COCCN(Cc1ccco1)C(=O)c1ccc(OC)c(OCC(=O)O)c1 95424309 RLKKJZFBGMCXGX-UHFFFAOYSA-N 363.366 2.040 0 40 FEAB Cc1cccc(CN2CC[C@@]3(CCCN(S(C)(=O)=O)CC3)C2=O)c1 108529879 FUUQWRXWGIGHOD-GOSISDBHSA-N 350.484 2.159 0 40 FEAB CN(C)c1ccc(-c2nnc([C@@H]3CCc4nnc(C5CC5)n4C3)o2)cn1 48303234 KJSIICBSBYDGFK-CYBMUJFWSA-N 351.414 2.397 0 40 FEAB COc1cccc(C[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)n2nnnc2C)c1 48302967 DNGWUGKGRFMWCW-SUNYJGFJSA-N 357.458 2.278 0 40 FEAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccc2c(c1)OCO2 9112379 VHXUASDUEKRCHO-JTQLQIEISA-N 361.423 2.035 0 40 FEAB OCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1 13121982 DUQIPPKZDHSFNV-UHFFFAOYSA-N 350.422 2.117 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-n3cccn3)nc2)c1C 39548699 MXQVIPWDLJZDHC-UHFFFAOYSA-N 367.409 2.319 0 40 FEAB CCOC(=O)C[C@@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCCC4 4200634 MQZKSABCKINXGX-MRXNPFEDSA-N 366.464 2.041 0 40 FEAB Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cnn(C)c1 65223395 VSKSZTXMGFUHLQ-UHFFFAOYSA-N 362.455 2.202 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2cccc(C(N)=O)c2)c1C 65565316 LNYADJQDTLTXBU-CYBMUJFWSA-N 371.437 2.220 0 40 FEAB NC(=O)c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cn1 65552598 BQWBSZOVXGHCDT-UHFFFAOYSA-N 373.840 2.312 0 40 FEAB Cc1ccc(C)c(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 5366942 INFTVSWAUVHIRB-UHFFFAOYSA-N 372.446 2.475 0 40 FEAB CCC1(CC)CC(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O 14162781 VAPVIYCCVCRYHF-UHFFFAOYSA-N 371.481 2.404 0 40 FEAB C[C@@H]1C(=O)N(CC(=O)NCc2ccc(F)cc2)C(=O)N1c1ccccc1 14161481 CKFGGFWRNPMHBN-CYBMUJFWSA-N 355.369 2.299 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n(C)c1 9317030 AQSUYSHDLKPGDC-UHFFFAOYSA-N 365.455 2.189 0 40 FEAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NC[C@@H]4CCCO4)c23)C1 5937668 YDKFXCXXKRFWBY-NEPJUHHUSA-N 361.467 2.490 0 40 FEAB CC(C)n1cc(NC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 80153732 HSDKGERYSNUZCP-LBPRGKRZSA-N 365.459 2.336 0 40 FEAB Cc1csc(=O)n1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 15516980 CDDCLFDIBBMOQM-UHFFFAOYSA-N 371.418 2.380 0 40 FEAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 9515632 KJESVEJEBSYWQW-QGZVFWFLSA-N 365.389 2.118 0 40 FEAB C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(N2CCc3ccccc32)cc1 67843588 XHPCWOLKIYIWLQ-ZDUSSCGKSA-N 359.451 2.257 0 40 FEAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NC[C@@H]1CCCO1 7616817 QKPYUCAZRJXJCF-AWEZNQCLSA-N 359.455 2.062 0 40 FEAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccnc3)cs2)cn1C 72401621 DJVUWHVRJIDTDN-UHFFFAOYSA-N 356.407 2.230 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc3ccccc3c2)cc1 8035360 RGMHIFQVXFWSHA-UHFFFAOYSA-N 368.458 2.389 0 40 FEAB COc1ccc(CCNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1OC 8115312 ZSBGJMWXULTSEP-UHFFFAOYSA-N 363.435 2.080 0 40 FEAB CCN1CCOC[C@H]1C(=O)OCc1cccc(C(=O)N2CCCCC2)c1 95454604 BGTBNGFNRRITJM-SFHVURJKSA-N 360.454 2.077 0 40 FEAB CCc1cc2c(N3CCC[C@H](c4cc(C(N)=O)[nH]n4)C3)ncnc2s1 95410442 NZQOUOHKMOKRPZ-JTQLQIEISA-N 356.455 2.460 0 40 FEAB COc1cc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC 95351578 HNSWTPFIPDICJR-UHFFFAOYSA-N 364.379 2.248 0 40 FEAB CN(CCN1CCCC1=O)c1ccc(C(=O)N2CCc3ccccc32)cn1 95958881 AXTLQZSZHKPVMO-UHFFFAOYSA-N 364.449 2.343 0 40 FEAB NC(=O)c1ncccc1C(=O)NCc1cc(Br)ccc1F 95942143 SRNOZMRLWBLTAL-UHFFFAOYSA-N 352.163 2.012 0 40 FEAB CCc1cnc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)s1 89289677 WEFGUQIYIXIRRK-LLVKDONJSA-N 350.419 2.310 0 40 FEAB COc1ccc(C(=O)N2CCCCCCC2)cc1S(=O)(=O)N(C)C 9957448 BKSQIOZOMUQKTE-UHFFFAOYSA-N 354.472 2.352 0 40 FEAB NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1cccc(Cl)c1 89774619 OXUAYZXXBQYDKQ-UHFFFAOYSA-N 373.840 2.457 0 40 FEAB Cc1cc(COC(=O)c2sccc2S(=O)(=O)N2CCCC2)on1 25856801 KPOHXHKWZBYJSP-UHFFFAOYSA-N 356.425 2.186 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@@H](C(=O)NCc3cccs3)C2)cn1 306133651 MSEAEPUTQLNJMJ-QGZVFWFLSA-N 370.482 2.034 0 40 FEAB CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nn1ccccc1=O 1558958410 AGTYWKYIMKTKGX-UHFFFAOYSA-N 352.394 2.453 0 40 FEAB C[C@H](NC(=O)c1ccn(COc2ccccc2)n1)C(=O)N1CCCCC1 72250005 XRFHYKDABZRSAF-HNNXBMFYSA-N 356.426 2.050 0 40 FEAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c2)no1 128836352 AZOBHQBOKXNCJF-GUYCJALGSA-N 358.423 2.438 0 40 FEAB CCCCc1cc(=O)oc2cc(OCC(=O)N3CCN=C(O)C3)ccc12 32093749 HIORIQLSNLHGEI-UHFFFAOYSA-N 358.394 2.313 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 33363616 WTJYDBMHYPQFNJ-XUVSEDFUSA-N 368.470 2.222 0 40 FEAB CO[C@@H](CS(=O)(=O)N1CCC[C@H](CC(=O)O)C1)c1ccc(F)cc1 530137035 BKDFRNZGEKTUPD-DOMZBBRYSA-N 359.419 2.030 0 40 FEAB COc1ccc(CCC(=O)N2CC[C@@H](Oc3nccnc3OC)C2)cc1 225807559 LEUICRFMWVEXNY-MRXNPFEDSA-N 357.410 2.106 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 331983984 YLYOUQCWCWZLQL-MRXNPFEDSA-N 362.455 2.027 0 40 FEAB CO[C@H]1CCCOC12CCN(C(=O)c1c(C)[nH]c(C(=O)O)c1C)CC2 97568855 AIEHQGZOCHOPDX-ZDUSSCGKSA-N 350.415 2.130 0 40 FEAB Cc1ccc(C(=O)NC[C@H]2OCCc3cn(CC4CCOCC4)nc32)o1 96044420 DEJFCEAKHZWSNF-QGZVFWFLSA-N 359.426 2.255 0 40 FEAB CN1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn23)CC1 96062767 JMUUETUMYDDSAN-UHFFFAOYSA-N 363.465 2.059 0 40 FEAB O=C(NCCc1cccnc1)c1nc2c(s1)CCCN2C(=O)C1CC1 96264685 NCKAXXKJDBSGQJ-UHFFFAOYSA-N 356.451 2.200 0 40 FEAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)c1 96083591 VRPODCFRAVSYSC-IXDOHACOSA-N 361.442 2.089 0 40 FEAB CCc1nn(C)cc1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 93010550 UXMDFBODWGVOER-GDBMZVCRSA-N 354.454 2.208 0 40 FEAB COc1ccc(CN2CCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1F 332554861 SDHDGJLJPATHNN-FUHWJXTLSA-N 364.461 2.420 0 40 FEAB CC(C)C(=O)N[C@H]1CCN(CCCOc2ccccc2F)CC[C@@H]1O 257329392 XJUVBXINLAPVIA-IRXDYDNUSA-N 352.450 2.192 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257338586 YYBQYOQGSKZYNE-QGZVFWFLSA-N 356.388 2.063 0 40 FEAB COc1ccccc1N(CCCC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O 260841154 JSJWGHNDAIVMFE-HNNXBMFYSA-N 368.499 2.500 0 40 FEAB COc1cnccc1N1CCN(C(=O)[C@H]2COc3cc(F)ccc3C2)CC1 626795319 RWYSAFTUUXVNJG-OAHLLOKOSA-N 371.412 2.129 0 40 FEAB CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCc4noc5ccccc45)[C@H]1[C@H]3C2 632329396 AWCNIIZAEYLUGJ-YUBHHTAFSA-N 362.451 2.055 0 40 FEAB CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C[C@]12CCOC2 1615589514 QSSACYFLZCWHOW-NRFANRHFSA-N 368.481 2.128 0 40 FEAB CCN1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@H]1C 677192899 QUKYJDHATZLWPT-CQSZACIVSA-N 352.442 2.047 0 40 FEAB O=C(c1ccnc(F)c1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 585109294 HICBLVYFJNNHGO-BJLQDIEVSA-N 367.424 2.463 0 40 FEAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3cccc(F)c3)CC2)C1 585103822 RUFGDJIXHGAXEY-KRWDZBQOSA-N 364.461 2.273 0 40 FEAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1ccccc1F 585097659 PDWLAEFGIQINSJ-AWEZNQCLSA-N 356.401 2.059 0 40 FEAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccccc3C)cc2NC1=O 585281789 RNGLUYCKGJVVLK-HNNXBMFYSA-N 374.418 2.223 0 40 FEAB CS(=O)(=O)N1CCC(NCc2csc(Br)c2)CC1 30656019 VMUDVBKOYYUZTR-UHFFFAOYSA-N 353.307 2.024 0 40 FEAB O=C(NCCc1ccc(O)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 54632547 WRZDXEZPKYZWGM-UHFFFAOYSA-N 352.390 2.014 0 40 FEAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2ccncc2)cc1 12325417 GAHZNPXBQLWSBM-UHFFFAOYSA-N 361.405 2.170 0 40 FEAB C[C@H]1CN(CN2C(=O)C(=O)c3cc(Br)ccc32)C[C@@H](C)O1 13615608 CLPXVDFQKMDAFU-AOOOYVTPSA-N 353.216 2.045 0 40 FEAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 13722778 ZFQYDPRUWMXZMJ-QWHCGFSZSA-N 358.872 2.004 0 40 FEAB O=C(c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1)N1CCC(O)CC1 19405228 DLHSPOVLEYLZGD-INIZCTEOSA-N 370.453 2.046 0 40 FEAB C[C@H]1CN(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C[C@H](C)O1 19497482 OVTHWPNCUIDDDC-HOTGVXAUSA-N 359.470 2.360 0 40 FEAB CCc1cc(C(=O)N2CCC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)no1 19522621 TWJNLWQSFIUXDB-GFCCVEGCSA-N 352.394 2.493 0 40 FEAB C[C@H]1CC[C@@H](NC(=O)NCC2C3CC4CC(C3)CC2C4)CS1(=O)=O 664551784 GLERRXYGVMBKNT-MMLUDYIGSA-N 354.516 2.324 0 40 FEAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCOCC1 4985531 QYQAMTORMDTTAJ-UHFFFAOYSA-N 358.467 2.155 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)c(C)o1 1888843474 ABMFXIPJQGHWHJ-CHWSQXEVSA-N 360.389 2.048 0 40 FEAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc(Br)cc1 22010598 SNYDCCWFQZWSGP-SNVBAGLBSA-N 354.248 2.258 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)N1CCN(Cc2ccncc2)CC1 24572685 ATFQNGSEOKLHIU-UHFFFAOYSA-N 351.450 2.294 0 40 FEAB CSc1cccc(C(=O)NCCn2c(O)nc3ccsc3c2=O)c1 238951833 XCAUCPONBYTNNQ-UHFFFAOYSA-N 361.448 2.316 0 40 FEAB CC(C)N1CCCC[C@@]2(CN(C(=O)CCc3ccncc3)CCO2)C1=O 2037985525 MQXKEVAAGXSCDH-HXUWFJFHSA-N 359.470 2.033 0 40 FEAB CCc1ccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)cn1 1565545061 CSGKMHBTPPFKPJ-UHFFFAOYSA-N 361.442 2.106 0 40 FEAB CCOC(=O)c1c(SCC(=O)Nc2ccc(F)cc2)nc(=O)[nH]c1C 4317596 HRTATSUDMOWHHK-UHFFFAOYSA-N 365.386 2.125 0 40 FEAB O=C(NCCS(=O)(=O)NCc1ccc(Cl)cc1)c1ccccc1 4940919 NUTQOXJGUJNHOW-UHFFFAOYSA-N 352.843 2.189 0 40 FEAB Cc1cccc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)c1 2055747109 IZODBXJOADKPAK-UHFFFAOYSA-N 355.486 2.263 0 40 FEAB Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cccc(F)c21 100893919 SNERZHUTEUAOHN-ZZEZOPTASA-N 369.377 2.102 0 40 FEAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 38671330 CXXQDYDEEBOJCZ-UHFFFAOYSA-N 365.393 2.006 0 40 FEAB COc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1OC 19561146 IQDMODBFPKBPHV-QGZVFWFLSA-N 354.454 2.477 0 40 FEAB Cc1ccc(C(=O)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 40039331 PMCIJFHIYYKWPN-GOSISDBHSA-N 371.458 2.394 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)NC[C@H](C)N(C)c1ccccc1 40145390 WXKYUYFUILVZJS-ZDUSSCGKSA-N 356.426 2.441 0 40 FEAB O=C(NCc1ccccc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 40158490 TUTBCSMNZFOEGR-UHFFFAOYSA-N 363.421 2.231 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1c1nnc2ccccn12 31502042 BIINBEXWOCZZKP-AWEZNQCLSA-N 363.377 2.001 0 40 FEAB O=C(NCC(F)(F)F)[C@@H]1CCN(c2ccccc2Br)C1=O 51422863 PTTTWNLQABQMIT-QMMMGPOBSA-N 365.149 2.481 0 40 FEAB Cc1cc2occ(CC(=O)NC3CCN(CC(N)=O)CC3)c2cc1C(C)C 32889160 MLSSTIOQVBNVCQ-UHFFFAOYSA-N 371.481 2.473 0 40 FEAB Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1 53350699 FHIWJYFJLUNNCB-UHFFFAOYSA-N 367.449 2.498 0 40 FEAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1cccc(F)c1 22912718 YAXFOKSLGABKSZ-LJQANCHMSA-N 357.429 2.115 0 40 FEAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)N1CCO[C@@H](c2ccccc2)C1 77671041 IESWIJYXEWFHAR-FXAWDEMLSA-N 373.497 2.270 0 40 FEAB CN1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 79076035 VBAAPHIFDUVYEY-HNNXBMFYSA-N 366.437 2.498 0 40 FEAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 2065663 AFXXNGHJKAMJKP-UHFFFAOYSA-N 369.446 2.240 0 40 FEAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 4287048 XVFNDBDMIXWALP-UHFFFAOYSA-N 367.862 2.462 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 4477305 JPAABAZFWBDQPI-FQEVSTJZSA-N 367.405 2.491 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 4995165 JMIAZDVHNCCPDM-PGOHFKEESA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro COCCN(C)S(=O)(=O)c1csc(C(=O)NCc2cccs2)c1 6681470 FRDGMRFYNHGHLG-UHFFFAOYSA-N 374.509 2.007 0 40 FEAB CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 56465567 KSHHAHHZZJAORW-UHFFFAOYSA-N 368.437 2.183 0 40 FEAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(Cl)c2)c1 102014513 AHDKFRVLBWANDH-YHUYYLMFSA-N 357.797 2.252 0 40 FEAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)n2nc(-c3cccnc3)nc2N1 9926461 SNWQDFCSGFHXSA-ZDUSSCGKSA-N 352.329 2.001 0 40 FEAB CC(=O)N1CCC(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)CC1 58179643 DNTHIIBVDZVRLU-HXUWFJFHSA-N 355.482 2.265 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O 58181505 CXWQPLDFCPUWER-IBGZPJMESA-N 371.393 2.311 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccn(Cc2ccncc2)n1 58218082 MAQFSHUHJYVMFG-LBPRGKRZSA-N 355.423 2.145 0 40 FEAB COC(=O)c1ccccc1NC(=O)CN1C(=O)COc2cc(C)ccc21 51316279 ARRMNBZWBDERER-UHFFFAOYSA-N 354.362 2.146 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102592122 GFPJPVZTFFRJSX-QBXQWZBTSA-N 350.418 2.241 0 40 FEAB CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 10749931 JQPHFKCTQXCWNH-DGCLKSJQSA-N 352.818 2.469 0 40 FEAB CC(C)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[nH]n1 115876056 OOEVGLLYOFIFLW-GFCCVEGCSA-N 370.409 2.296 0 40 FEAB CC(C)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)CC1 36619155 TYXQHVHQEZYBAY-UHFFFAOYSA-N 364.453 2.394 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(Cl)c2C)C1=O 9154796 BGJCOTUIPZOZRD-LBPRGKRZSA-N 355.847 2.260 0 40 FEAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3cccs3)ccc21 20487295 MPEQDFQDYNGDCH-UHFFFAOYSA-N 350.465 2.481 0 40 FEAB Cc1nc(C)c(CC(=O)NCc2ccc(F)cc2C(F)(F)F)c(=O)[nH]1 48260205 STTKEWWCVMAWGD-UHFFFAOYSA-N 357.307 2.404 0 40 FEAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc2c(c1)OCCO2 12782594 UFVAVECUNZPTHI-ZDUSSCGKSA-N 365.389 2.045 0 40 FEAB COC(=O)c1cnc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)s1 12879676 DWPHVCIIJRQORG-UHFFFAOYSA-N 372.406 2.128 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 96001029 OTYGJFUYUXKPAJ-OAHLLOKOSA-N 362.430 2.429 0 40 FEAB CN1C(=O)Cc2cc(C(=O)CSc3nnnn3C3CCCC3)ccc21 12975888 SDDURZZBWYZDHU-UHFFFAOYSA-N 357.439 2.282 0 40 FEAB Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)o1 48986508 QYTKKPWVXWQUHK-LBPRGKRZSA-N 364.423 2.116 0 40 FEAB Cc1ccc(-c2noc(COC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 24983477 REFQRAJIBWVKNM-UHFFFAOYSA-N 364.365 2.457 0 40 FEAB COc1ccc(CC(=O)NCCCc2nnc3nc(C)cc(C)n23)cc1 13723550 KKJFQLRJGZMZFK-UHFFFAOYSA-N 353.426 2.041 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nncn1C1CC1 14115516 IBCJUQMWXLXISS-ZDUSSCGKSA-N 360.439 2.004 0 40 FEAB CCOc1ccc(CC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1OCC 6488432 MLMVQNUBITVCQT-HNNXBMFYSA-N 360.332 2.496 0 40 FEAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 6661244 DOAYUKSKJJEECW-AWEZNQCLSA-N 363.421 2.271 0 40 FEAB Cc1cnc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 8089436 VOXJDNIFAOYMJG-UHFFFAOYSA-N 368.315 2.394 0 40 FEAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(OC(F)F)cc1 8212603 DJTGQTWECQODFD-UHFFFAOYSA-N 356.354 2.239 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1CCCO1)c1cccc(Cl)c1 8498697 NRUHQWIYKFPZPG-OAHLLOKOSA-N 374.890 2.181 0 40 FEAB COc1ccnc(N2CCN(CCCc3nc4ccccc4o3)CC2)n1 98134041 IJNIDWRUEQQRQF-UHFFFAOYSA-N 353.426 2.381 0 40 FEAB C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCN1C 95996532 YSCJBXNBDWGETN-GHMZBOCLSA-N 361.414 2.239 0 40 FEAB O=C(O)CC[C@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)ccc2=O)C1 95992033 MDGCHVMJFCZDRM-CYBMUJFWSA-N 373.384 2.089 0 40 FEAB Cc1ccccc1CCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 9909113 KSCYIVGQTVAGLW-UHFFFAOYSA-N 357.454 2.154 0 40 FEAB Cc1cc(C)n(CCN2CCN(C(=O)Cn3ccc4ccccc43)CC2)n1 62022042 YZSFOIQVCNHOMB-UHFFFAOYSA-N 365.481 2.299 0 40 FEAB Cc1c(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)cnn1C 72335615 ZBQGMYGADRQWEP-ZDUSSCGKSA-N 356.474 2.019 0 40 FEAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1-n1cnnn1 79477705 QZCWXZQJGOALDE-UHFFFAOYSA-N 353.773 2.122 0 40 FEAB COc1ccc(Br)cc1C(=O)Nn1c(C)nnc1SC 33739014 WBJPCIXUZJHYKB-UHFFFAOYSA-N 357.233 2.463 0 40 FEAB O=C(CNC[C@H]1CCCO1)Nc1ccc(C(=O)N2CCCCCC2)cc1 35311538 SVAQAHMMZWLQEG-GOSISDBHSA-N 359.470 2.410 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1 71288556 NOTODOMATRSAND-JKSUJKDBSA-N 359.426 2.016 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2Cl)o1 32610788 LPISKTQIJLFKLD-LLVKDONJSA-N 369.826 2.429 0 40 FEAB C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 44388897 ZXJHYWDRXMJZHE-KSSFIOAISA-N 364.511 2.414 0 40 FEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1ccc(S(C)(=O)=O)o1)[C@H]3C2 569822316 HZEPGEMJASEBHF-FFSVYQOJSA-N 373.496 2.023 0 40 FEAB CN(CCCNC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1 40025694 NJFCXLFNZMRAQX-UHFFFAOYSA-N 366.465 2.373 0 40 FEAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ncnc3c2cnn3C)C1 578386431 HDRPVXZETVOXEP-JTQLQIEISA-N 365.363 2.500 0 40 FEAB C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[C@@H]1CCCO1 583615445 TUMLYAWSTUZPLG-MXSMSXNCSA-N 363.506 2.012 0 40 FEAB C[C@H](NS(=O)(=O)c1sccc1Br)[C@H]1CCCCN1 583652138 ZGSUHQPQTQSDIP-WCBMZHEXSA-N 353.307 2.320 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1 247730668 GUOPJVMUQKPYPD-IBGZPJMESA-N 370.453 2.165 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 245238681 YMLVJQDQZDAEFW-XLSPSMHOSA-N 368.518 2.353 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1cccc(Cl)c1 257334379 YFQQWLUAKZLMRY-AEFFLSMTSA-N 363.889 2.462 0 40 FEAB O=S(=O)(NCc1cnc([C@@H]2CCCCO2)nc1)c1cccc(F)c1 257301359 RYDKXZJGGYRJOB-HNNXBMFYSA-N 351.403 2.336 0 40 FEAB Cc1ncc(CNC(=O)CCc2c(C)noc2C)c([C@H]2CCCN2C)n1 257276121 NSLAIQJRRJWFTG-QGZVFWFLSA-N 357.458 2.406 0 40 FEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257339370 ZBKGLSMMMUQDTC-KRWDZBQOSA-N 356.474 2.093 0 40 FEAB CNc1cc([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)ccn1 257306777 SVVDJUYMLSIWAK-CQSZACIVSA-N 352.394 2.395 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1 257255773 KIUHBQLPQFUGNH-QGZVFWFLSA-N 351.410 2.492 0 40 FEAB C[C@H](C(=O)N1CCC(Cn2ccnn2)CC1)n1ccc2ccccc2c1=O 280915729 FYDUQIDQUMQTOK-OAHLLOKOSA-N 365.437 2.093 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c(C)c1 1775959035 ATIIDYNSGYTJPE-GWCFXTLKSA-N 352.378 2.046 0 40 FEAB O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(C(F)(F)F)n1 96099032 IXJDXTDWLDURET-UHFFFAOYSA-N 369.315 2.300 0 40 FEAB Cc1cccc(CN(Cc2cc(=O)n3nc(N)[nH]c3n2)Cc2ccco2)c1 1615914846 NCLAEKADCQHQOU-UHFFFAOYSA-N 364.409 2.104 0 40 FEAB COc1ccc2c(c1)[C@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)CCC2 655596131 BAJOYTUAKWYSRE-SJLPKXTDSA-N 354.406 2.322 0 40 FEAB COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)CCC2 655596132 BAJOYTUAKWYSRE-WMZOPIPTSA-N 354.406 2.322 0 40 FEAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cc2ccccc2s1 575414749 ZZVZAEPAJJQWCA-ZDUSSCGKSA-N 364.434 2.348 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 585106331 WAZPGALAGZACCW-MSOLQXFVSA-N 355.482 2.139 0 40 FEAB CN(C)C/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585289966 OYUJEUOZQGVEHI-LNTYHFEGSA-N 358.482 2.471 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccc(OC(C)C)nc4)C[C@H]3C2)ncn1 1776009762 PPZNEWSLIGXGKR-CALCHBBNSA-N 367.453 2.176 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1 60093150 BHSJCMPCVRMPKY-UHFFFAOYSA-N 372.494 2.094 0 40 FEAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1C 75166220 TUHGPYRUXWVMJR-MRXNPFEDSA-N 369.469 2.251 0 40 FEAB CC[C@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 78548039 QSZJOSAUNNAMJH-HNNXBMFYSA-N 361.442 2.153 0 40 FEAB CN(C)c1ncc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccc(F)cc2)cn1 1615086955 LUCMLXUKWFQQRS-ROUUACIJSA-N 371.460 2.117 0 40 FEAB COc1ccc(CN(Cc2cnc(N)nc2)C[C@H]2CCCO2)c(OC)c1 12187247 ZYPALUIBKXYBKQ-QGZVFWFLSA-N 358.442 2.257 0 40 FEAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc3nccnc3c1)C2 12666313 SDJHTOLSLWARPZ-UHFFFAOYSA-N 370.416 2.333 0 40 FEAB COCC(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19592793 GCUYGOVYYKYFBN-JTQLQIEISA-N 369.343 2.294 0 40 FEAB Cc1cc(Cl)ccc1OCCCc1nnc2n1CCS(=O)(=O)CC2 630951764 OTONEUKMSJYNAI-UHFFFAOYSA-N 369.874 2.222 0 40 FEAB COc1ccc(N[C@H]2CC(=O)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 16901108 PMOUQBPKYNEBHF-HNNXBMFYSA-N 354.362 2.446 0 40 FEAB CCOC(=O)c1ccc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 257300717 RVLIZPZPTUTGCP-GJZGRUSLSA-N 351.399 2.222 0 40 FEAB Cc1nc(S(=O)(=O)N2CCN(Cc3ccccc3C3CC3)CC2)cn1C 584908336 HFEPRIWUTLHQNZ-UHFFFAOYSA-N 374.510 2.112 0 40 FEAB CC(C)(C)NC(=O)COC(=O)c1cccc(I)c1 3300061 LIFUGWUAIAQJCZ-UHFFFAOYSA-N 361.179 2.363 0 40 FEAB O=S(=O)(N1CCCCCC1)N1CC[C@H](COc2ccc(F)cn2)C1 1889214383 HMAIRLWMKYHKJO-AWEZNQCLSA-N 357.451 2.042 0 40 FEAB c1coc(-c2noc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 24834394 IAESBDQOMFXBOJ-UHFFFAOYSA-N 368.393 2.376 0 40 FEAB Cc1cncc(CN2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037980899 MDNAGVXCECKVHB-OAQYLSRUSA-N 367.449 2.024 0 40 FEAB O=C(c1cccc(Cl)n1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565552914 CVYCUZQURBKJPB-IRXDYDNUSA-N 372.856 2.246 0 40 FEAB Cc1nn(CC(=O)NC2CC(C)(C)NC(C)(C)C2)c(=O)c2ccccc12 4577376 DYXYVQSWCBTQSP-UHFFFAOYSA-N 356.470 2.130 0 40 FEAB COc1ccc(-n2ccn(Cc3ccc(C)cc3)c(=O)c2=O)cc1OC 8588332 NGNBGUCHFFTJSS-UHFFFAOYSA-N 352.390 2.373 0 40 FEAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccc(C)nc2)CC1 2055734516 FSBHGRSFOYGLJR-UHFFFAOYSA-N 370.428 2.362 0 40 FEAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cocn2)CC1 2055738913 ZPALZTOYYISHFC-UHFFFAOYSA-N 374.416 2.425 0 40 FEAB CN1c2ccccc2N(C2CCN(Cc3cccnc3)CC2)S1(=O)=O 575414160 AAMVIJWKUPKMQE-UHFFFAOYSA-N 358.467 2.247 0 40 FEAB COCCOc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 19593728 YHBFCZGJVZQSIN-FQEVSTJZSA-N 368.481 2.485 0 40 FEAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905528 VZPFGJLFJNPDHJ-KYZVSKTDSA-N 353.403 2.068 0 40 FEAB Cc1cccc(C(C)C)c1NC(=O)CN1CCCN(CC(=O)N(C)C)CC1 24675376 NRPJKZQGTHAPMJ-UHFFFAOYSA-N 374.529 2.153 0 40 FEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 100549881 ZOFLTUFFHFAUGT-GVARAGBVSA-N 373.430 2.246 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(N2C(=O)CCC2=O)cc1 32744637 KTBNOPQBDMAFAG-CQSZACIVSA-N 364.401 2.321 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccccc1 32768057 HVLQPVDPNXCIAD-CQSZACIVSA-N 350.396 2.050 0 40 FEAB COCCNC(=O)[C@@H](C)SCc1ccc(C(=O)N2CCCC2)cc1 32814581 CDVPXOZJDKFGMG-CQSZACIVSA-N 350.484 2.307 0 40 FEAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1ccc3c(c1)OCO3)C2=O 22560347 BRXJADANHNQVCH-GFCCVEGCSA-N 366.373 2.025 0 40 FEAB CC(C)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 47463992 QTRMBFMFMBJECK-BETUJISGSA-N 355.460 2.014 0 40 FEAB COCCOc1ccc(NC(=O)NC[C@H](C(=O)OC)c2ccccc2)cn1 78936688 UBZVIUVRCMGKAC-INIZCTEOSA-N 373.409 2.185 0 40 FEAB CC(C)[C@H](C(=O)Nc1cccc(Cn2cncn2)c1)N1C[C@H](C)O[C@H](C)C1 106530356 UUHVFYIWNVANBO-JTDSTZFVSA-N 371.485 2.399 0 40 FEAB COc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cc(C(=O)O)c1OC 55651115 SYHCTGHMZKQVHI-UHFFFAOYSA-N 369.370 2.366 0 40 FEAB CCC(=O)NCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 55731399 KYGLMFKGVRMSLK-UHFFFAOYSA-N 364.243 2.341 0 40 FEAB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2C)C1=O 4997967 AUOVSXSCCUNYFZ-NTUHNPAUSA-N 351.380 2.222 0 40 FEAB CN[C@H](c1ccc(Cl)cc1)c1nnnn1-c1ccccc1C(=O)OC 35170754 XQZYZVAVFBFSAG-OAHLLOKOSA-N 357.801 2.411 0 40 FEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnc2ccccn12 26277562 FYMUYAVKKSHJGV-OAHLLOKOSA-N 350.426 2.322 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)C[C@H]2COc3ccccc3O2)c1C 35269311 PSJQOFYNEFFRRM-AWEZNQCLSA-N 372.421 2.373 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@@H]1CCCN(c2ncccn2)C1 108340557 UPWNXIOYFYYPRZ-XRZHQBHLSA-N 370.497 2.283 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1OC 58162647 LYKWDUGOPWPVLO-RDTXWAMCSA-N 370.515 2.493 0 40 FEAB O=C(Nc1ccccc1O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58246714 PZWNBMLAJMNTGB-AWEZNQCLSA-N 354.362 2.364 0 40 FEAB Cc1cnc(N2CCC3(CC2)C[C@H](N(C)Cc2ccncc2)CO3)nc1 104942391 NLTWMFGUASSXDS-SFHVURJKSA-N 353.470 2.440 0 40 FEAB CCC[C@@H](c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1 57670027 WXNNXVJQPTXJFE-KRWDZBQOSA-N 362.453 2.122 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cnn(-c4ccccc4)n3)cn2)n1 46311657 DGEAGLJEQPGJLX-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2[C@H]4CCCC[C@H]24)C3)C1 100748515 UHWAWMYPEOLDOI-XIRDDKMYSA-N 368.481 2.133 0 40 FEAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)cc1 101948565 ADXMEDXXZXKINF-PFRQMTDMSA-N 357.406 2.181 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccccn1)C1CC1 61511212 PSXUNEXDSJZUBE-UHFFFAOYSA-N 350.426 2.260 0 40 FEAB CN(Cc1ccccc1N1CCCC1)C(=O)CCNC(=O)c1ccncc1 48276779 QYCGVNPAMQJLIU-UHFFFAOYSA-N 366.465 2.460 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3551944 BHOULLHEYKYYNA-UHFFFAOYSA-N 373.430 2.374 0 40 FEAB CN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 12909043 CZKTUYSLBLZGSA-UHFFFAOYSA-N 367.405 2.291 0 40 FEAB CC(=O)/N=c1\[nH]c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2s1 13724050 ADMYAGVOKOLVDN-UHFFFAOYSA-N 351.391 2.227 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc32)c1C 5212106 HXJUQFKVNMRUAJ-UHFFFAOYSA-N 356.378 2.164 0 40 FEAB CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 14244812 RKFUVFJCWPMWNA-UHFFFAOYSA-N 357.435 2.305 0 40 FEAB CC(C)C(=O)N1CCC(NC(=O)NCCN2c3ccccc3C[C@H]2C)CC1 68377763 ZFNXTBWNMMMUGQ-MRXNPFEDSA-N 372.513 2.384 0 40 FEAB CCc1nn(C)cc1NC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 91199683 LJLWVGVAVCKCMI-UHFFFAOYSA-N 359.405 2.112 0 40 FEAB COc1ccc(C(=O)NCc2nnc3ccccn23)cc1Br 8352378 HFTUMWZRYKYEJN-UHFFFAOYSA-N 361.199 2.430 0 40 FEAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1C 8508080 FCUARGFWJRJGDW-AWEZNQCLSA-N 362.455 2.098 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccn1)NCCc1c[nH]c2ccccc12 8734944 ZEZMNCLUFJAHGK-UHFFFAOYSA-N 356.813 2.305 0 40 FEAB Cc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)on1 8762292 JMALPZWAYUSWPF-UHFFFAOYSA-N 352.188 2.422 0 40 FEAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(N2CCOCC2)cc1 8710967 PJJGPZMKDMKZME-UHFFFAOYSA-N 354.332 2.377 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1Cl 408593644 MYOAFMLMSSBAJK-LLVKDONJSA-N 362.879 2.178 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)C2CCCCC2)Oc2ccccc21 30858175 GYMZJAJDSVZIDL-KRWDZBQOSA-N 366.483 2.395 0 40 FEAB CN1C(=O)C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[C@H]1c1ccccc1 504424172 REZBKXLWJJWOSH-MHYXUVESSA-N 356.466 2.360 0 40 FEAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)C1(n3cnnn3)CCCCC1)CC2 524735161 BCSZMVITBWDQTR-HNNXBMFYSA-N 371.441 2.153 0 40 FEAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1OC 524729683 DPIHGXQPVWURQU-GFCCVEGCSA-N 359.378 2.161 0 40 FEAB biogenic NC(=O)[C@@H]1CN(C(=O)c2cnc(O)c3ccccc23)C[C@H]1c1ccccc1 1557035146 SDVNMSFBVBMYNB-ZWKOTPCHSA-N 361.401 2.282 0 40 FEAB COC(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 32988243 HHWPNVJKVYUHED-CQSZACIVSA-N 354.834 2.164 0 40 FEAB COc1ccc2c(ccn2CC(=O)Nc2ccc(Cn3cnnn3)cc2)c1 30819210 LVJXRKNZRILCOR-UHFFFAOYSA-N 362.393 2.323 0 40 FEAB O=S(=O)(NCc1cccc(Br)c1)c1cccc2nonc12 32578448 AEDZBCMBKFQOLB-UHFFFAOYSA-N 368.212 2.464 0 40 FEAB CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 566717723 YQSTUPZIENFGJY-JKSUJKDBSA-N 374.872 2.448 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CN1CCC[C@H](C)C1 72337463 DGTDSTOXWANLNV-JLJPHGGASA-N 353.470 2.358 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 44949803 CFSOHYOKRPQOED-LBPRGKRZSA-N 359.879 2.105 0 40 FEAB O=C(c1cccnc1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113158 JGBLSAKKWGZCLM-CQSZACIVSA-N 367.327 2.415 0 40 FEAB biogenic,in-vitro O=C(NCc1ccc(Cl)s1)N1CCC[C@H](n2cc(CO)nn2)C1 581869198 JPOWLKXLUYSVJR-NSHDSACASA-N 355.851 2.032 0 40 FEAB Cc1nn(C)c(C)c1CNC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O 95478531 FXOVCRUBZWPUAY-GOSISDBHSA-N 354.454 2.334 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 247801393 FZBBRGDQCIAIPN-HNNXBMFYSA-N 368.389 2.263 0 40 FEAB Cn1cccc1C(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 248109651 GVHNSRVTDJMXJW-SFHVURJKSA-N 372.469 2.252 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 257253787 KAHRZFPMCVAOTI-MRXNPFEDSA-N 350.426 2.329 0 40 FEAB COc1cc(CCC(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)on1 257201330 AHEYGGREFSYFLQ-OAHLLOKOSA-N 355.398 2.412 0 40 FEAB O=C(N1CCOC[C@H](Cc2ccncn2)C1)C1(c2ccccc2F)CC1 257254094 KBOABSSVVQWYJM-OAHLLOKOSA-N 355.413 2.365 0 40 FEAB O=C(NCCc1ccc(-n2cccn2)cc1)N1CCO[C@]2(CCCOC2)C1 606442245 NLKNQZSRNFLVLB-HXUWFJFHSA-N 370.453 2.006 0 40 FEAB CC1(c2ccccc2)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 621508414 DNLFFIACFTZCIH-UHFFFAOYSA-N 366.465 2.401 0 40 FEAB O=C(Cn1nnc2c1CCCC2)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 654998701 NYVJIDFXNORCKY-YJBOKZPZSA-N 358.417 2.333 0 40 FEAB CNS(=O)(=O)Cc1ccc(CNc2nc3c(F)cccc3n2C)cc1 684890873 ZLYVCVQAFQLFGR-UHFFFAOYSA-N 362.430 2.374 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 575405784 UFIFCWYGCOXCGQ-CQSZACIVSA-N 354.401 2.070 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@@](O)(COc3ccccc3C)C2)[nH]1 585279544 ZXERCPHBTGAQKJ-HXUWFJFHSA-N 359.470 2.231 0 40 FEAB Cc1ccccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 585105218 QQETYVKUKMTDCK-HRAATJIYSA-N 365.433 2.047 0 40 FEAB CN1CCC(c2ncc(C(=O)N3CCCC[C@@H]3c3ccnn3C)[nH]2)CC1 685941383 AYXVTFFAHFQIQR-QGZVFWFLSA-N 356.474 2.320 0 40 FEAB COc1cccc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 31190919 JAPDRVMFJVDDFR-UHFFFAOYSA-N 356.397 2.361 0 40 FEAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(c2nnc3n2CCC3)CC1 55289262 BNEBPNFNXNMNCN-QGZVFWFLSA-N 365.437 2.448 0 40 FEAB O=C1CC[C@H](C(=O)OCc2nn(-c3ccc(F)cc3)c3c2CCC3)CN1 84421948 APCAALJWABSSDP-LBPRGKRZSA-N 357.385 2.070 0 40 FEAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccn(Cc2ccccc2)n1 547799157 OHITYNGWVGKCMF-UHFFFAOYSA-N 351.410 2.801 0 40 FEAB COc1cccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)n1 96001098 FHPGUWJJPNUMFT-HNNXBMFYSA-N 366.377 2.354 0 40 FEAB CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1n[nH]c2ccccc12 188144652 RRIAQSLGPVNLNE-OAQYLSRUSA-N 364.449 2.272 0 40 FEAB O=S(=O)(Cc1cccc2cccnc12)N[C@@H]1CNC[C@H]1c1ccccc1 563877363 YWIMMYXVNIEFPR-RBUKOAKNSA-N 367.474 2.410 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615157533 KTJAXHDHJOVOLT-HXUWFJFHSA-N 369.421 2.194 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 5192731 CSNOQIKTZYXTMJ-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146236 MIYVRUUOVMHLMG-RHSMWYFYSA-N 355.438 2.039 0 40 FEAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccn(C)n1 12220336 LKZPOGBBVSHVMZ-HNNXBMFYSA-N 371.466 2.160 0 40 FEAB Cc1cnc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cn1 12668643 KFRXTVVTVXONHY-UHFFFAOYSA-N 350.382 2.250 0 40 FEAB CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 16640525 PPDQXALKVBBUPU-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)NC1=S 8334127 OPHQSGKOCXSLLS-GXDHUFHOSA-N 369.446 2.482 0 40 FEAB Cc1nc(C(C)(C)C)nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)c1C 1888859296 JLCQPIVUDXXZGY-UHFFFAOYSA-N 369.513 2.412 0 40 FEAB Cc1nc(N2CCCC2)cc(N2CCN(c3cc(C4CC4)ncn3)CC2)n1 1888869635 YYNASOZHFMJRFE-UHFFFAOYSA-N 365.485 2.379 0 40 FEAB O=S(=O)(CCc1ccccc1)NC1CN(c2ncnc3ccsc23)C1 1888914145 VCDBAQZFCHGEMK-UHFFFAOYSA-N 374.491 2.042 0 40 FEAB CCC[C@@](C)(NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 32788608 UTHMLHNGEXYADI-CYBMUJFWSA-N 364.261 2.459 0 40 FEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCN2CCCC2=O)C1 2037909324 TXAFGBVVFPAQNW-FQEVSTJZSA-N 360.454 2.086 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)CN1C 1614946695 AASDPZAXWDVUJA-HNNXBMFYSA-N 352.425 2.467 0 40 FEAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 1565547436 POWMHPYWSUBLBV-AZUAARDMSA-N 354.454 2.020 0 40 FEAB O=C(c1ccco1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11694131 CNZZXXUDEOWNCW-UHFFFAOYSA-N 367.405 2.049 0 40 FEAB COc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 12200025 BVBGWIOTHFZGCM-UHFFFAOYSA-N 360.391 2.149 0 40 FEAB O=C([C@@H]1CC=CCC1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759221 WOFOPHFMTICRKH-CQSZACIVSA-N 353.422 2.210 0 40 FEAB O=C(Nc1cccc2c(O)cccc12)C(=O)N[C@H](CO)Cc1ccccc1 40267537 QUCFWFDXBYKBCW-HNNXBMFYSA-N 364.401 2.204 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccs2)cc1C 30866246 BIZHPYUFGJYUQE-UHFFFAOYSA-N 352.481 2.302 0 40 FEAB C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 51279381 KUDQEJCDEPGCGX-KBPBESRZSA-N 363.433 2.293 0 40 FEAB Cc1cccc(OCCN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 52617520 PFDLTBPJDFTYTI-UHFFFAOYSA-N 352.390 2.372 0 40 FEAB CC(C)NC(=O)CCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 52829879 HWBDNHRMMDDXHA-ZDUSSCGKSA-N 352.866 2.300 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)c1cncc(Br)c1 22701143 MFLRMPNAQWCXGW-UHFFFAOYSA-N 350.220 2.092 0 40 FEAB COc1ccccc1CCNC(=O)Nc1cccnc1N1CCOCC1 54481115 FVUPBZDQTNYCQS-UHFFFAOYSA-N 356.426 2.291 0 40 FEAB Cn1c(CCC(N)=O)nn(CN2CCCc3c(F)cc(F)cc32)c1=S 54546221 IPPOLFMBAFWKKS-UHFFFAOYSA-N 367.425 2.057 0 40 FEAB COc1cccc(N2C(=O)C[C@@H](Nc3cc(C(=O)O)ccc3C)C2=O)c1 23732490 PPMIYQGSNAXPSO-MRXNPFEDSA-N 354.362 2.446 0 40 FEAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)N1CCCC1 905310 JCZQRVQRZLJVQV-ZDUSSCGKSA-N 362.455 2.432 0 40 FEAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 78820716 QSOBLMLOKJQYDS-MEBBXXQBSA-N 367.373 2.377 0 40 FEAB CCCCNC(=S)N(CCO)Cc1cc2cc(OC)ccc2[nH]c1=O 4133228 WQGLPWGOUJWKQU-UHFFFAOYSA-N 363.483 2.006 0 40 FEAB C[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc2N(C)C1=O 106921090 PNELLXZGBHGHKV-LZQZEXGQSA-N 371.481 2.276 0 40 FEAB O=C(CSC(=S)N1CCCC1)NCC(=O)Nc1ccc(F)c(F)c1 7484291 KQNXDPTXKQITGP-UHFFFAOYSA-N 373.450 2.133 0 40 FEAB COc1ccc([C@@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 10297386 HZQXQDDRHPRCOC-OAHLLOKOSA-N 363.337 2.132 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)NCCc2ccccc2)C1 100628850 HDRQJSZCCUNXEC-IAGOWNOFSA-N 353.491 2.385 0 40 FEAB O=C(NCCC(=O)N1CCCCC1)C1CCN(Cc2ccccc2)CC1 57174791 WPAHOTQADWVWDM-UHFFFAOYSA-N 357.498 2.417 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 26771622 STNXFILTVQCXMN-DYZYQPBXSA-N 361.394 2.355 0 40 FEAB biogenic COc1ccc(S(=O)(=O)NC[C@H](C)N2CCc3sccc3C2)cc1 26839671 HLLHPUKZRPCGJQ-ZDUSSCGKSA-N 366.508 2.482 0 40 FEAB CCNC(=O)C1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 27416479 CKQFCZVHFPXSHL-UHFFFAOYSA-N 362.405 2.136 0 40 FEAB CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)O 2120918 YUBKQLAPSNVVHF-LBPRGKRZSA-N 367.785 2.285 0 40 FEAB biogenic O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 102614361 DNEIWPBFXZVYKF-YRPNKDGESA-N 368.477 2.286 0 40 FEAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2ccccc2Cl)s1 11637572 QLNDOCADSFWNBI-UHFFFAOYSA-N 363.826 2.475 0 40 FEAB O=C(CN1CCSC1=O)NCc1cccc(C(=O)N2CCCCC2)c1 46775465 NAMHGEJIGYUVGP-UHFFFAOYSA-N 361.467 2.098 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(F)cc1 100395277 SKTLOHGDCDQMBF-SUMCQTLJSA-N 354.381 2.189 0 40 FEAB Cn1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc21 47383917 BHDSJJYCVLDRKG-HXUWFJFHSA-N 362.389 2.485 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1Cl 3390098 PCRIKRHRGCRXFK-UHFFFAOYSA-N 363.801 2.320 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1cc2ccccc2o1 12886244 CJTONOHHAMAJDG-NSHDSACASA-N 364.409 2.489 0 40 FEAB O=C(NCCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccccc1 12912188 HVJSKKPWYUUJQC-UHFFFAOYSA-N 369.440 2.290 0 40 FEAB COCCNC1=NN=C(c2cc(C)n(C[C@@H]3CCCO3)c2C)CS1 6048063 JINVFKMNJMECJR-AWEZNQCLSA-N 350.488 2.327 0 40 FEAB CCc1nnc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)s1 5033586 MWNGDGRZUZOEIR-VIFPVBQESA-N 361.456 2.196 0 40 FEAB Cc1ccccc1Nc1nc(N)nc(COc2ccc(C(N)=O)cc2)n1 9468361 GUVGGRMVBPDVLQ-UHFFFAOYSA-N 350.382 2.184 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1OC 65495077 KKYGRNCOTQMMFO-UHFFFAOYSA-N 352.387 2.019 0 40 FEAB O=C(O)Cn1c(=O)c2c3c(sc2n(CCc2ccccc2)c1=O)CCC3 6759334 FWKHZENUEPILIH-UHFFFAOYSA-N 370.430 2.041 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1c[nH]c2ccccc12 7651447 KHOLLSNQLMUWPO-UHFFFAOYSA-N 362.341 2.190 0 40 FEAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 8036433 GJMQPDKDGGFSCH-GOSISDBHSA-N 372.446 2.007 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3ccccc3o2)cc1 8501371 XSOKLSYEDZZWAX-UHFFFAOYSA-N 361.375 2.316 0 40 FEAB CN(Cc1ccccc1)C(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 8765472 KBPBJELOSZUILF-UHFFFAOYSA-N 363.417 2.380 0 40 FEAB biogenic CCC[C@@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 19356881 YFZBJVGRKBSUSK-KGLIPLIRSA-N 363.483 2.152 0 40 FEAB C[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2S1 9076631 LWQCFQDZQFMSRG-ZIAGYGMSSA-N 368.524 2.023 0 40 FEAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23818993 BOKQZFXLJGMGJA-UHFFFAOYSA-N 364.405 2.250 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1N1CCCC1=O 20460531 GGHCDLJNAIBLJH-UHFFFAOYSA-N 352.456 2.243 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 72378746 VFYNSEFVOBXXES-INIZCTEOSA-N 373.413 2.327 0 40 FEAB CCCCc1nnc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)s1 183875105 NWPZPNGNGMMHPI-UHFFFAOYSA-N 361.475 2.333 0 40 FEAB O=C(/C=C/c1cccc(Br)c1)NCCN1C(=O)CCCC1=O 73123225 BCOLUCBFMRUBSX-BQYQJAHWSA-N 365.227 2.118 0 40 FEAB CC(C)[C@H](C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 40120465 JKTFXPCNNSOSRE-KRWDZBQOSA-N 359.514 2.361 0 40 FEAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792375 CPTIILOFAAZFSY-UHFFFAOYSA-N 362.437 2.194 0 40 FEAB O=C(NCCn1nnc2ccccc2c1=O)c1cc2ccccc2s1 225798022 JNISQLDPYPTVBD-UHFFFAOYSA-N 350.403 2.436 0 40 FEAB O=C(CCCc1cccs1)N1CCC(C(=O)N2CCOCC2)CC1 41595162 UKCABSOBCQXQJP-UHFFFAOYSA-N 350.484 2.168 0 40 FEAB CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)[C@H]2C(=O)CCC[C@]21O 229978655 JEPGYGKYYADGQF-CPUCHLNUSA-N 354.353 2.432 0 40 FEAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(CCNC(=O)N(C)C)C1 96219299 UNBAYYFREZDEMP-WBVHZDCISA-N 352.504 2.094 0 40 FEAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 96207824 HUAWQNKHZNDHCE-APWZRJJASA-N 357.479 2.330 0 40 FEAB Cn1cccc1C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96050639 SXBKRBWQHRFCBY-HXUWFJFHSA-N 355.413 2.429 0 40 FEAB CN(C)C(=O)COCC[C@H]1CCOC12CN(Cc1ccc(Cl)cc1)C2 248024665 RZFBAWZZCINVQE-INIZCTEOSA-N 366.889 2.426 0 40 FEAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 248163503 YTUJYVFPXVGGAD-OAHLLOKOSA-N 360.454 2.031 0 40 FEAB CC(=O)N1[C@H]2CCN(Cc3ccnc4ccccc34)C[C@@H]2C[C@]1(C)CO 257293285 QOWRRGLMNWMCEJ-DZFGPLHGSA-N 353.466 2.429 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)c3cccnn3)CCO2)n1 257322928 WIAYQGNECDHRTE-QGZVFWFLSA-N 365.393 2.357 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257249256 JHMRAKMLOISQRK-CQSZACIVSA-N 354.410 2.193 0 40 FEAB CCOCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257315589 VCBOEYQNIGLLNF-QGZVFWFLSA-N 350.434 2.449 0 40 FEAB COCC(=O)N1CCC[C@@H]1c1cncc(N2CC3(CCCCC3)OC2=O)n1 257259256 KXNIXLVAAJABRA-OAHLLOKOSA-N 374.441 2.446 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(CO)C(=O)O)cc1 252515077 GXOFYNGKDGJTSU-JZXOWHBKSA-N 364.394 2.137 0 40 FEAB CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H](OC)[C@@H]3O)[nH]n2)cc1 257342633 ZPMQTFQHFIHHFJ-KZNAEPCWSA-N 359.426 2.086 0 40 FEAB COc1ccc(COCC(=O)N2CCCCC[C@@H]2c2noc(C)n2)cn1 626397672 QDBSWZSAHCODMT-OAHLLOKOSA-N 360.414 2.442 0 40 FEAB COc1cc(C(=O)N2CCC(N(C)C[C@H](C)O)CC2)c2ccccc2n1 613758065 LDONHNVPTCYGMQ-AWEZNQCLSA-N 357.454 2.161 0 40 FEAB Cc1ccc(C)c(C(=O)N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)c1 643927867 NNPAKPHMPXTEGT-INIZCTEOSA-N 356.426 2.306 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)CC1CC1 585097138 GACMYIPXVULOLY-CYBMUJFWSA-N 356.426 2.038 0 40 FEAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2F)C3)C1 585112503 QJOABMKZTGOOEJ-CQSZACIVSA-N 359.401 2.233 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](C(N)=O)C3)s2)c(C)c1 50843560 QCXPVOSZMFLDGS-AWEZNQCLSA-N 359.451 2.062 0 40 FEAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 5001476 WYUYBVAMWQRZCI-AWEZNQCLSA-N 366.512 2.246 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 5706817 RGPFRWHTVUVNAT-KBMXLJTQSA-N 362.426 2.403 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1C(=O)c1ccc(F)cc1 12115046 XCLCRQKAWMZHKN-MRXNPFEDSA-N 368.364 2.251 0 40 FEAB Cc1cc(C)nc(N2CCCN(Cc3ccnc(N4CCCC4)n3)CC2)n1 12188731 YICQGGKEHAGXNP-UHFFFAOYSA-N 367.501 2.196 0 40 FEAB COc1cc(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc(C)n1 12223973 BEGJORKUPGYDML-UHFFFAOYSA-N 357.414 2.156 0 40 FEAB CC(=O)c1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 12991914 WRNZVXDMVZQUNK-UHFFFAOYSA-N 366.464 2.295 0 40 FEAB CC(=O)O[C@@H]1OCCO[C@@H]1NC(=S)Nc1cccc(C(F)(F)F)c1 13685861 RSMCQGMWTWXNOG-RYUDHWBXSA-N 364.345 2.254 0 40 FEAB O=C(Nc1ccc(SCCN2CCOCC2)nn1)c1cccs1 13806041 AYHXOKFITDKGOG-UHFFFAOYSA-N 350.469 2.215 0 40 FEAB O=C(N1CC[C@H](Oc2ncc(F)cn2)C1)C1(c2ccccc2)CCOCC1 390826776 BWFXMTWVXOPREO-KRWDZBQOSA-N 371.412 2.344 0 40 FEAB COCCCNC(=S)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5701208 ICUUIKZPCARSLN-UHFFFAOYSA-N 371.528 2.184 0 40 FEAB Cc1cc(C)nc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888866323 ZHYUJEVEQDCBBD-HOTGVXAUSA-N 350.470 2.253 0 40 FEAB Cc1ccc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)nn1 1889138985 JWBLHSCXNQJVAG-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccccc2)cc1 24014305 ZRFDDZRFVYYEDA-IBGZPJMESA-N 360.479 2.347 0 40 FEAB O=C([C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCC(F)(F)CC1 2087136678 JLRSBHFLOUHBAY-HNNXBMFYSA-N 360.351 2.423 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565546540 GMKXPPRMLDFMND-RHSMWYFYSA-N 351.454 2.136 0 40 FEAB C[C@@H]1CN(c2ncccn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 2055772365 BYIQWMJJQUVSFQ-OGWOLHLISA-N 353.426 2.274 0 40 FEAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)c1 22468378 YVASKMLRCNGAPQ-OAHLLOKOSA-N 357.483 2.450 0 40 FEAB CCOc1ccc(NC(=O)Cn2cc(-c3nc(CC)no3)ccc2=O)cc1 49007538 ZPKABZUTCJALPV-UHFFFAOYSA-N 368.393 2.498 0 40 FEAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](Oc2cnsn2)C1 618257085 QBRURZGBTMLTJU-CYBMUJFWSA-N 373.413 2.371 0 40 FEAB CN(C)c1ncccc1CNc1ncnc2c1ncn2C[C@@H]1CCCO1 2298074402 KGIBPVAJFFHPRZ-AWEZNQCLSA-N 353.430 2.078 0 40 FEAB COc1ccc(OC)c(CN2CCc3nc([C@H]4CCNC4)ncc3C2)c1 19551651 WHSHOUFKIFPPNU-AWEZNQCLSA-N 354.454 2.129 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 35855864 CXAZEADRWYTSEP-BEFAXECRSA-N 351.450 2.461 0 40 FEAB COc1ncccc1CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 30041790 FIWZRIXZEUHQOR-KBPBESRZSA-N 356.426 2.029 0 40 FEAB Cc1ccc([C@H](C)CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101208763 SNJZOFCKQRHLPG-ANWSIQQZSA-N 352.434 2.022 0 40 FEAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F 20716203 VCPZWJCKYRGHQB-HNNXBMFYSA-N 366.780 2.032 0 40 FEAB O=c1nc2n(c(O)c1[C@@H]1NCCc3c1[nH]c1ccc(Cl)cc31)CCS2 102697924 JZMBEGSZDFSDCE-AWEZNQCLSA-N 374.853 2.424 0 40 FEAB Cc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)o1 33171848 IHFCJJVPWXJOOR-UHFFFAOYSA-N 370.434 2.487 0 40 FEAB O=C(NC1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1 23435550 GNSPYWWDQIDQOE-UHFFFAOYSA-N 365.499 2.002 0 40 FEAB CC(C)[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(=O)O 1719072 XKZMCDYOEUCOIS-OAHLLOKOSA-N 362.426 2.451 0 40 FEAB CCc1cc(C)cc(OCCNC(=O)c2ccnc(-n3cnnc3)c2)c1 6677925 KYSQAKOQQGJHMJ-UHFFFAOYSA-N 351.410 2.342 0 40 FEAB CS(=O)(=O)c1ccc(F)c(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1 43820668 QPTSRPHOWAYEKW-LBPRGKRZSA-N 364.398 2.354 0 40 FEAB O=C(c1cccs1)N1CCN(C[C@@H](O)COCc2cccs2)CC1 57159160 SWQRORRESDKFNV-CQSZACIVSA-N 366.508 2.145 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2096080 IIFGUEPMHCFGAV-KGLIPLIRSA-N 367.405 2.271 0 40 FEAB biogenic Cc1csc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)n1 58192960 XZWBUSVWFMNEIC-UHFFFAOYSA-N 365.480 2.365 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3n[nH]c4ccccc34)cc21 58202814 LKEOXGVQUQFYSC-UHFFFAOYSA-N 365.393 2.285 0 40 FEAB CC(=O)N(C)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 58201858 UFKDPWURVGBQHQ-UHFFFAOYSA-N 364.405 2.408 0 40 FEAB Cc1ccc(NC(=O)N2CCN(CC(=O)NCc3ccco3)CC2)cc1 95405704 XYNGAHZWECBWLM-UHFFFAOYSA-N 356.426 2.054 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12549883 AFJAUWKPVYKXRP-KRWDZBQOSA-N 373.416 2.289 0 40 FEAB O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1nc(Cc2ccccc2)no1 58357507 DFJWTZQDFMKEMA-HNNXBMFYSA-N 362.389 2.403 0 40 FEAB CC(C)[C@@H](C(=O)Nc1cccc(Cn2cncn2)c1)N1C[C@@H](C)O[C@H](C)C1 58363797 UUHVFYIWNVANBO-MDZRGWNJSA-N 371.485 2.399 0 40 FEAB COCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O 20798026 HGVHSUWOHYTAEA-UHFFFAOYSA-N 355.398 2.271 0 40 FEAB Cc1cc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)c(C)s1 11086901 COVHNTYSEICMFC-UHFFFAOYSA-N 358.467 2.467 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1 107135520 RTDGKLNVIIPBLC-IXDOHACOSA-N 355.417 2.440 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1 2431154 JLRMYISOFWGZIL-IBGZPJMESA-N 367.449 2.303 0 40 FEAB Cn1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 108530909 GCZKBJSZAQCUAL-NVXWUHKLSA-N 352.429 2.326 0 40 FEAB Cc1cccc(N2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1C 12644280 RNDZSCFDPZAJIB-HNNXBMFYSA-N 355.490 2.020 0 40 FEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)OC(F)(F)O3)CS2 13001669 YOHNMCPSQHIXOR-XPTSAGLGSA-N 356.350 2.401 0 40 FEAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1cc(F)ccc1F 13988451 PPMSSSYEZXNYRJ-QMMMGPOBSA-N 368.413 2.058 0 40 FEAB CC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)n1nnc2ccccc2c1=O 5321752 QWVMMFOGNNZPGE-KRWDZBQOSA-N 351.410 2.447 0 40 FEAB CCN1CCC[C@H]1CNC(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 5352826 KHIPZNAGQZSOMP-LBPRGKRZSA-N 361.442 2.408 0 40 FEAB COc1cccc(C[C@H](C(=O)Nc2cccc(OC)c2)c2nn[nH]n2)c1 5485639 IDYSMPBJLXBVSI-INIZCTEOSA-N 353.382 2.182 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2cccs2)n1 6648069 SFFYSGRREKDUMZ-LLVKDONJSA-N 368.422 2.166 0 40 FEAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2cccc3c2ccn3C)CC1 66842708 SRDCMDFBDGFURH-UHFFFAOYSA-N 363.483 2.064 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccccc3C)nc2c1 71768703 MPDQEPUPWMBHSS-UHFFFAOYSA-N 355.419 2.498 0 40 FEAB C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(N)=O 6994395 FZZUETANTZJYQR-JTQLQIEISA-N 351.863 2.487 0 40 FEAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(n2cncn2)CC1 70036569 GZNCIJRSRDOZPI-ZDUSSCGKSA-N 365.445 2.187 0 40 FEAB CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 8500913 MFZBZKJWMVMMDB-KRWDZBQOSA-N 351.834 2.413 0 40 FEAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846457 BMACKDKRXXZEKL-UHFFFAOYSA-N 372.490 2.293 0 40 FEAB CCCCc1nc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)cs1 96795037 XIWHZXLNFXQMMX-CQSZACIVSA-N 350.532 2.270 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CCSc2ccccc21 18134480 SCGMZWBILQIBPM-AWEZNQCLSA-N 352.419 2.145 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2C)cc1F 84090534 VMPGUFOHBQPYBQ-UHFFFAOYSA-N 359.401 2.464 0 40 FEAB COc1ccc(OC[C@H](O)CN(C)C(=O)[C@H](C)Oc2ccccc2)cc1 9851470 QVYICAWZKWVOKO-JKSUJKDBSA-N 359.422 2.361 0 40 FEAB CCCNC(=O)CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 8986407 BVQFFEVUVHKQBV-CYBMUJFWSA-N 369.874 2.128 0 40 FEAB CC(C)(C)C(=O)NCC(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 89621302 DBQQRYZBDPLDRS-SFHVURJKSA-N 352.862 2.008 0 40 FEAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CC1 408527508 DTBPVMQYIWNVOW-UHFFFAOYSA-N 364.398 2.284 0 40 FEAB CC(=O)N1CCOC[C@]2(CC[C@@H](CNCc3ccc4ccccc4n3)O2)C1 306137864 RIODOFNKROMGRB-FPOVZHCZSA-N 369.465 2.121 0 40 FEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408603447 JZBMRJYVEZBEER-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2CCCCO2)on1 548681323 FLDLZGZNDIBAEU-JYJNAYRXSA-N 353.438 2.313 0 40 FEAB Cc1cc(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)c2cnn(C)c2n1 36616154 CVISASWKJPJNNY-UHFFFAOYSA-N 365.372 2.308 0 40 FEAB O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306130686 JMZQAQAPNAAYFM-UHFFFAOYSA-N 369.469 2.382 0 40 FEAB COc1cccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)c1 75503894 QIZHBGCVYPQSDD-UHFFFAOYSA-N 370.449 2.336 0 40 FEAB Cc1ccsc1CCC(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238895983 RAUYACKMIAPFFA-GJZGRUSLSA-N 358.463 2.151 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 563455641 ZCWJTKGOMOVEFQ-MDASCCDHSA-N 374.481 2.263 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 44886460 QOVALCVQNRPUSM-UHFFFAOYSA-N 363.435 2.444 0 40 FEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1 49131241 RECNUEHOMUTYGU-BXUZGUMPSA-N 358.360 2.406 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(C(=O)C3CC3)CC2)c(OC)c1 48286835 JGIGPNHQYHQOFP-WHLIDYPQSA-N 374.481 2.022 0 40 FEAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1OC 225792801 HBQRPIOHSWTNDA-CSPWOOARSA-N 355.394 2.187 0 40 FEAB O=C(NC1CCS(=O)(=O)CC1)c1ccc(Oc2cccc(F)c2)cn1 574854611 ULAQSGHKCUEVDN-UHFFFAOYSA-N 364.398 2.320 0 40 FEAB CC(=O)N[C@H]1CCN(S(=O)(=O)c2c(C)sc3c(C)cccc23)C1 331511301 CXSQCJGUSGPWTN-ZDUSSCGKSA-N 352.481 2.417 0 40 FEAB COc1cccc2c1ccn2CCC(=O)/N=c1\[nH]nc([C@H]2CCCO2)[nH]1 95476129 RBXJSRFIBYCUEO-OAHLLOKOSA-N 355.398 2.070 0 40 FEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333302543 QGEFGPVOVNMMCH-XJTZBENFSA-N 356.397 2.307 0 40 FEAB COc1ccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 95117181 IQYADUGQMHSEQD-HNNXBMFYSA-N 369.414 2.040 0 40 FEAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 247739273 MVAOGFLZBCTXTF-MRXNPFEDSA-N 369.469 2.308 0 40 FEAB Cc1cccc(CO[C@H]2CN(C(=O)c3ccnn3C)Cc3cccn3C2)n1 248050513 QXYOMRBFQDTCNL-GOSISDBHSA-N 365.437 2.166 0 40 FEAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4csc(C)n4)CCO3)C2)on1 248057821 UUKPFZNJAKQBMW-CQSZACIVSA-N 363.439 2.338 0 40 FEAB Cc1cccc(CN2CC3(CCN(C(=O)c4nccn4C)CC3)CC2=O)c1 248166272 ZZBGGVCEXHXTQT-UHFFFAOYSA-N 366.465 2.383 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)on1 253600442 PONHNDWOWWGDAV-QGZVFWFLSA-N 374.441 2.210 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 252022128 ZCSCSILPCUBJTL-HNNXBMFYSA-N 372.425 2.172 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 257251445 JQUJAUHUJAMBTK-GOSISDBHSA-N 355.486 2.352 0 40 FEAB CC(=O)N1CCN(Cc2cc[nH]n2)C[C@H](Cc2cccc3cccnc23)C1 257336670 YPLUJXORVOIZQJ-KRWDZBQOSA-N 363.465 2.481 0 40 FEAB COc1ccc(COCC(=O)N2CCCCC[C@H]2c2noc(C)n2)cn1 626397671 QDBSWZSAHCODMT-HNNXBMFYSA-N 360.414 2.442 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 1620755869 RGRPDWVZBWBVBM-MRXNPFEDSA-N 355.419 2.186 0 40 FEAB Cc1c(NC(=O)c2cnn(CC3CC3)c2)cccc1C(=O)N1CCOCC1 630808916 YCXKSTWOOSRCOL-UHFFFAOYSA-N 368.437 2.326 0 40 FEAB CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)c1cc2ccccn2c1 1177564952 AHMQMHOIAXEETC-CQSZACIVSA-N 353.382 2.211 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](OC)c1ccccc1C 96389544 ORJFECHLLAOZGM-GOSISDBHSA-N 356.422 2.124 0 40 FEAB Cn1cncc1-c1cccc(C[C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 585179639 WXRRWUPXMBRGOY-HNNXBMFYSA-N 354.454 2.300 0 40 FEAB COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(F)c2)CC1 1776009843 UDWTZFOGLYTDRQ-UHFFFAOYSA-N 359.405 2.008 0 40 FEAB Cc1nn(C)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 54483436 BDEJJTHPNOYARM-UHFFFAOYSA-N 355.467 2.296 0 40 FEAB CCn1cc(Br)cc1C(=O)N1CCSC[C@H]1CC(=O)O 91128413 SUANYDMOVMGAQG-SNVBAGLBSA-N 361.261 2.303 0 40 FEAB O=C(CSc1nnc(-c2ccco2)o1)NC(=O)NCc1ccccc1 5813896 GRVGDKHOPZKIMX-UHFFFAOYSA-N 358.379 2.448 0 40 FEAB COc1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)cc1CO 12113860 OQNNAIMNOGCEJF-HNNXBMFYSA-N 354.410 2.488 0 40 FEAB O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 12249899 JVCLGCPEQJIWAV-CQSZACIVSA-N 370.858 2.032 0 40 FEAB NC(=O)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 16951245 IUQNMZKPHCCBAW-MRXNPFEDSA-N 372.377 2.120 0 40 FEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)Cc3ccccn3)ccc21 19457112 AIDZMTCURVSYBB-CQSZACIVSA-N 373.478 2.290 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21 22903568 ZDTIBBOEMAUHID-UHFFFAOYSA-N 355.375 2.481 0 40 FEAB COCc1nsc(N2C[C@@H]3CCC[C@]3(COc3nccc(C)n3)C2)n1 1888866968 KGDXTENCYWLIAN-SUMWQHHRSA-N 361.471 2.468 0 40 FEAB O=C1C[C@@H](c2nnc(S)n2C[C@H]2CCCO2)CN1Cc1ccccc1 1889110012 XRDDFFPPXPZVDE-HUUCEWRRSA-N 358.467 2.262 0 40 FEAB COC(=O)[C@H]1CCCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 238958064 YEDDWNJFJGWRTA-CQSZACIVSA-N 368.817 2.070 0 40 FEAB Cc1ccc(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cc1 1565545440 FEDVYOVQNIJKLX-UHFFFAOYSA-N 364.449 2.373 0 40 FEAB NC(=O)c1nc(-c2ccc(F)cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338245 VUJRVULQNMQUID-UHFFFAOYSA-N 367.315 2.153 0 40 FEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4nc5ccccn5c4C)C[C@H]3O2)n[nH]1 2055759350 NZDNVPYPGMEATE-RRFJBIMHSA-N 366.425 2.062 0 40 FEAB O=C(CCSc1ccccc1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575615989 ILVUTQRIZAHJQD-CQSZACIVSA-N 368.466 2.002 0 40 FEAB COc1ccccc1C(c1c(O)cc(C)[nH]c1=O)c1c(O)cc(C)[nH]c1=O 7424338 OXMJDXUBLUOKGJ-UHFFFAOYSA-N 368.389 2.280 0 40 FEAB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(O)cc1)C1=C(O)c3ccccc3C1=N2 100632655 VTOIWHGYZDGCRG-AWEZNQCLSA-N 373.368 2.328 0 40 FEAB Cc1noc(C)c1CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 32843009 ZHPZAGPPFTWFQE-UHFFFAOYSA-N 353.304 2.212 0 40 FEAB COc1ccc(C(=O)NCc2ccccc2CN2CCN(C)CC2)cc1 32916029 NULPTCNAYJOQNP-UHFFFAOYSA-N 353.466 2.373 0 40 FEAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 32930450 MRNDVKBDYIYVMM-ZIAGYGMSSA-N 369.421 2.354 0 40 FEAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)[C@@H](C)n3ccnc3)CC2)c1 52899843 DRRLXINHDYGMJG-RTBURBONSA-N 369.513 2.470 0 40 FEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(Br)c1 823447 KWIHVPCYHAZRLA-LBPRGKRZSA-N 355.188 2.259 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)on1 54481518 BUJFAAFMOXRAAX-UHFFFAOYSA-N 359.455 2.198 0 40 FEAB Cc1cc(N2CCCCC2)nc2sc3c(=O)n(CC(=O)O)cnc3c12 71283929 OBCSZCRWHQFQAF-UHFFFAOYSA-N 358.423 2.390 0 40 FEAB COc1cc(C2=[N+](C)CCc3cc4c(cc32)OCO4)cc(OC)c1OC 1668730 VVZUJPWHCQTGSD-UHFFFAOYSA-N 356.398 2.477 0 40 FEAB COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1O 6006723 BAAZAAOLHHFWJV-KRWDZBQOSA-N 354.314 2.465 0 40 FEAB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422715 RGRLDOLWDDDVPB-UHFFFAOYSA-N 353.357 2.144 0 40 FEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCCc2ccccc21 35085846 IHZXAWKOYBXQON-SFHVURJKSA-N 367.449 2.231 0 40 FEAB CCCNC(=O)C1CCN(C(=O)NCc2ccccc2-n2ccnc2)CC1 56895101 QXHMUZPOEGORCE-UHFFFAOYSA-N 369.469 2.320 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccs1 57023965 ZZOARSVQJCBLKS-UHFFFAOYSA-N 368.455 2.470 0 40 FEAB CCOC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 58218486 HXUBFRNSIFVLAX-UHFFFAOYSA-N 357.410 2.099 0 40 FEAB CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)N1C[C@@H](C)O[C@H](C)C1 58208965 LIGHVNDXCUCKEQ-HLIPFELVSA-N 374.529 2.432 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12561030 HGUZVGHMPOAGKB-UHFFFAOYSA-N 366.464 2.237 0 40 FEAB O=C(c1ccccc1O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1 58391600 HRMIAJHFUAYZON-UHFFFAOYSA-N 360.797 2.349 0 40 FEAB Cn1nccc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108532880 PAAPQWNEJHDVMJ-DOTOQJQBSA-N 352.429 2.326 0 40 FEAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 28619402 UPVKLSWFQDFFFM-STQMWFEESA-N 354.472 2.064 0 40 FEAB CCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11112783 FTICMZBGOXHVCB-UHFFFAOYSA-N 355.438 2.176 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NC1CCCC1)c1ccc2c(c1)OCO2 113943214 MSOKLTUAAMONME-UHFFFAOYSA-N 368.455 2.020 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 3395101 GKNLIHUPSVHQQX-UHFFFAOYSA-N 359.455 2.218 0 40 FEAB O=C(C1CC1)N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 48314432 FTEZQRLMHUJSBP-GOSISDBHSA-N 354.450 2.134 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2ccccc2[nH]c1=O 12894678 LZBSTOKUGVXUAB-CQSZACIVSA-N 350.374 2.440 0 40 FEAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1 3438245 VOVABJLEMCIERN-AATRIKPKSA-N 368.505 2.356 0 40 FEAB COc1cccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)n1 96001097 FHPGUWJJPNUMFT-OAHLLOKOSA-N 366.377 2.354 0 40 FEAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCCCC2)nc1 65476424 FUEUOWNQCALNPK-UHFFFAOYSA-N 368.437 2.449 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CNc1ccc(Cl)cc1)C2=O 14171703 MEFHHEHUDYBKIV-UHFFFAOYSA-N 364.833 2.284 0 40 FEAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CCCN1CCOCC1)CO3 6661149 CARXLYWBWJCONZ-UHFFFAOYSA-N 358.438 2.284 0 40 FEAB CN1C(=O)COc2ccc(-c3csc(NC(=O)[C@H]4CCCO4)n3)cc21 19796421 SUUKXOZOVLBGCU-CQSZACIVSA-N 359.407 2.283 0 40 FEAB Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 5679363 HKXWMRDMZATVIJ-LBPRGKRZSA-N 357.362 2.291 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 9496931 UTLREIPYEZCOEV-CQSZACIVSA-N 371.462 2.162 0 40 FEAB O=C(Cc1c(F)cccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O 6993067 UAGIKIVPZNNWLN-UHFFFAOYSA-N 353.781 2.308 0 40 FEAB CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 67213146 USKKJLFNZSKSEW-GFCCVEGCSA-N 357.451 2.027 0 40 FEAB NC(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 7375556 KUTQJUKKCPRQBF-UHFFFAOYSA-N 370.780 2.245 0 40 FEAB COc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)c1 9592111 ZBLBZYHTYKXPIA-CYBMUJFWSA-N 354.362 2.385 0 40 FEAB Cc1oc(CO)cc1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 9513979 IJKUNGUBJGIIFA-UHFFFAOYSA-N 372.377 2.003 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccnc3)nc21 8644584 KQMCKKLQVVBOGV-UHFFFAOYSA-N 368.393 2.124 0 40 FEAB O=C(CCCNC(=O)c1ccsc1)OCc1cc(=O)n2ccccc2n1 18963296 RKPXEBUQBKVEKB-UHFFFAOYSA-N 371.418 2.009 0 40 FEAB Cc1ccc(C)c(-n2c(=O)[nH]c(O)c([C@H]3OC(=O)c4ccccc43)c2=O)c1 9045169 OWQZPBVMLDNBTH-INIZCTEOSA-N 364.357 2.108 0 40 FEAB Cc1nc(N)nc(C)c1CC(=O)N1CCC(OCc2ccccc2)CC1 72408738 UZYSWCANDMJUFZ-UHFFFAOYSA-N 354.454 2.426 0 40 FEAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)OCC(=O)c1ccc[nH]1 23073513 VZIXQNSAKIVMMH-UHFFFAOYSA-N 362.691 2.275 0 40 FEAB COCCNC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33271969 DCBZWVVUVDXLHC-UHFFFAOYSA-N 360.435 2.177 0 40 FEAB COc1ccc(NS(=O)(=O)c2ccc3nc(NN)sc3c2)cc1 216778806 WLUZFFXZHWWPHW-UHFFFAOYSA-N 350.425 2.391 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218653749 LKTKXNZPVNDZGW-RCCFBDPRSA-N 364.898 2.498 0 40 FEAB COc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 72241559 PTDKBTOBOZIFAS-MOPGFXCFSA-N 372.396 2.049 0 40 FEAB CC(C)n1nc(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2c1=O 79192677 MWZGQVXIYIUSBP-UHFFFAOYSA-N 364.405 2.258 0 40 FEAB biogenic OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223571853 QZLKYTUGVFDKMN-QZTJIDSGSA-N 368.462 2.489 0 40 FEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NCc1cccnc1 225738462 OANSWFQZWNASAE-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C)CO 80350731 OWMFCNSHRAKQRP-OXQOHEQNSA-N 368.477 2.456 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CO[C@@H](COc2cccnc2)C3)no1 96209583 MCXFNYMQDKLANV-MRXNPFEDSA-N 357.410 2.468 0 40 FEAB O=S(=O)(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 96239628 XSLOULZNLBAACY-OAHLLOKOSA-N 357.426 2.111 0 40 FEAB COc1ccc([C@H](NC(=O)c2ncn(C(C)(C)C)n2)C(=O)O)cc1Cl 579478231 SPEZMSDZTVIXPP-LBPRGKRZSA-N 366.805 2.251 0 40 FEAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 96100156 UPFXPZSHDQCKEP-OAQYLSRUSA-N 364.449 2.174 0 40 FEAB Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)o1 96043359 ULSWYMQZQGJAGL-IXDOHACOSA-N 356.426 2.244 0 40 FEAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCN(c2cccs2)CC1 580316662 SLIZCSATYKFHBF-UHFFFAOYSA-N 353.451 2.220 0 40 FEAB Cc1ccsc1CN1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 253599538 QWNWPRSMYIZWNW-OAHLLOKOSA-N 372.494 2.258 0 40 FEAB CN(C(=O)c1ccnc(Cc2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 257218190 DCESMRYRZHFCRH-INIZCTEOSA-N 362.426 2.071 0 40 FEAB O=C(c1cccnc1O[C@@H]1CCOC1)N1CCn2c1nc1ccccc12 253397559 FUEWOLCMIHFXSI-CYBMUJFWSA-N 350.378 2.259 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)c(OC)c1 604419505 HBHYNNHMATWAKC-HNNXBMFYSA-N 358.394 2.378 0 40 FEAB O=C(c1ccc(Br)o1)N1CC[C@H](Oc2ncc(F)cn2)C1 390827245 FWFNCDPSWFBFLS-VIFPVBQESA-N 356.151 2.265 0 40 FEAB O=C(N[C@@H]1CC[C@@H](F)C1)c1nc2c(o1)CCN(Cc1cncs1)C2 585112717 UJEDZQNNPHHRBH-GHMZBOCLSA-N 350.419 2.310 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1ccc(C)cc1 585291947 UBCVUJJIPYDFAY-ZAOFJCOUSA-N 372.509 2.289 0 40 FEAB NC(=O)[C@H]1CN(C(=O)c2ccccc2SCc2cccs2)CCO1 50857067 IBOHBJDWZXZRTP-CQSZACIVSA-N 362.476 2.367 0 40 FEAB O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2cc(Cl)nc(Cl)c2)C1 84335548 QPRPINHIEIVKAU-LLVKDONJSA-N 350.271 2.045 0 40 FEAB CC(C)[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 42902017 SDJROKQPLNVUCG-RISCZKNCSA-N 368.480 2.248 0 40 FEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12892882 ZQOYENGUZKRDDH-YEWDVWPNSA-N 362.451 2.319 0 40 FEAB C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)[C@@H]1C 13112700 GICAROFGRONRGO-HCKSERAJSA-N 357.454 2.395 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 16363221 QKRRVRGKBVOZDZ-CABZTGNLSA-N 355.485 2.230 0 40 FEAB CC(C)Cc1nnc2n1N=C(CCN1C(=O)c3ccccc3C1=O)CS2 19772701 GGODUEGTZPWIFR-UHFFFAOYSA-N 369.450 2.473 0 40 FEAB Cn1nc(C2CC2)cc1N1CCN(C(=O)NCc2ccc(F)cc2)CC1 225570607 MLWNFAXKSJOIKJ-UHFFFAOYSA-N 357.433 2.468 0 40 FEAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 849933 QOKBJLFBSLTURX-UHFFFAOYSA-N 354.406 2.302 0 40 FEAB biogenic O=C1[C@@H]2CN(c3ncnc4ccsc34)C[C@@H]2C(=O)N1c1ccccc1 1888890314 WWWCXHSIGMPFFT-BETUJISGSA-N 350.403 2.317 0 40 FEAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1ccc(OC)cc1OC 1614937408 JUDKUSGPTXGRAH-OAHLLOKOSA-N 371.437 2.209 0 40 FEAB COc1cccc(-c2nnc3ccc(OCCNC(=O)CC(C)C)nn23)c1 11693903 RJCLEGOJICEZJJ-UHFFFAOYSA-N 369.425 2.341 0 40 FEAB CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 33335920 YYURVCYQHWNCOP-YESZJQIVSA-N 356.507 2.353 0 40 FEAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)n1 35597483 MCXOLYFRDRDRES-UHFFFAOYSA-N 372.406 2.109 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@H](O)c1cn(C)c2ccccc12)c1ccccc1 96096526 BNPUKUXFUQMGLT-LIRRHRJNSA-N 365.433 2.205 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 40040334 WMNZPRCJMSCLBV-LLVKDONJSA-N 351.346 2.436 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 40266791 SCCXPKYJKXLGOY-UHFFFAOYSA-N 373.844 2.469 0 40 FEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2nc(C(F)(F)F)sc2c1 20729037 HKICRBSCPWCMKZ-QMMMGPOBSA-N 364.370 2.232 0 40 FEAB O=C(CSc1nc(-c2ccco2)n[nH]1)NC[C@@H]1COc2ccccc2O1 32873577 ZZICXSOXCJGGNH-LLVKDONJSA-N 372.406 2.113 0 40 FEAB Cc1csc(=O)n1CC(=O)OCC(=O)c1ccc(Br)cc1 22373571 ORWHDXZLBIZFBW-UHFFFAOYSA-N 370.224 2.407 0 40 FEAB COc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c(OC)c1 678465 HRFHQALSDKKKES-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB Cc1cc(N)nc(SCC(=O)NCC2(c3ccccc3)CCOCC2)n1 53562036 BOLCYLRTSWRECL-UHFFFAOYSA-N 372.494 2.324 0 40 FEAB O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 22517952 SKTVSGZRUITEQK-UHFFFAOYSA-N 366.421 2.194 0 40 FEAB COCCn1cnnc1S[C@@H](C)C(=O)Nc1cc(OC)ccc1OC 23640195 ILEOLRSLCWBHDY-NSHDSACASA-N 366.443 2.061 0 40 FEAB COc1ccc([C@@H](NC(=O)CNc2ccccc2C(N)=O)C2CC2)cc1 25614465 PIGWJVTWNRDTRA-IBGZPJMESA-N 353.422 2.474 0 40 FEAB CN1CCN(C)[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 78638773 RYITZSNIDPOIBD-MGPQQGTHSA-N 356.297 2.459 0 40 FEAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NC1CCCC1 1328858 GQRLEQSJZNQVPL-ABAIWWIYSA-N 362.451 2.480 0 40 FEAB COc1cccc(C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)c1 79484568 GSBUCSRBHUZKNV-UHFFFAOYSA-N 355.369 2.283 0 40 FEAB COc1ccc(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)cc1F 24846050 DCGWHXZYNQBHID-UHFFFAOYSA-N 360.341 2.042 0 40 FEAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 3436593 RTPDUPYUVASYJD-UHFFFAOYSA-N 356.378 2.378 0 40 FEAB CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3607440 GKOZPIZEXDZSQQ-UHFFFAOYSA-N 352.843 2.277 0 40 FEAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1 7653911 GAOKVMFMWCPEKJ-UHFFFAOYSA-N 350.415 2.442 0 40 FEAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 26455902 IACGZNKMBXRIEP-GOSISDBHSA-N 373.453 2.352 0 40 FEAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 8476034 QJCGZJVQIZGAGH-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 8476050 FPWFTBCFSPWBCN-UHFFFAOYSA-N 362.407 2.058 0 40 FEAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@H](CO)[C@H]2CCC1=CCOC1=O 35966135 LMOGEODVJJLYGW-UQZPWQSVSA-N 352.471 2.044 0 40 FEAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 58343910 SGINMHWMCQHBPK-LSDHHAIUSA-N 374.485 2.306 0 40 FEAB O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 3234302 WQXXAQBGKFSQQM-SFHVURJKSA-N 374.437 2.220 0 40 FEAB C[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1F 25688817 IXSFGWRTNHYKLA-GFCCVEGCSA-N 355.369 2.369 0 40 FEAB Cc1ccnn1CCCNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619437 MKQVEAFQLSRCHR-UHFFFAOYSA-N 361.409 2.116 0 40 FEAB COC(=O)c1coc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 95940217 NVNNSINBKMFKPP-ZIAGYGMSSA-N 364.442 2.028 0 40 FEAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCOCC1 12601735 MNODWLPMTVKYDU-GFCCVEGCSA-N 360.357 2.367 0 40 FEAB CCn1cc(Br)cc1C(=O)NCCC(=O)N1CCCCC1 58267141 OBKMRAJLHJZBMN-UHFFFAOYSA-N 356.264 2.403 0 40 FEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)c1ccco1 12770850 GSSXLLGVQGERRC-UHFFFAOYSA-N 355.398 2.073 0 40 FEAB COc1ccc(C)cc1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC 48331763 XSXPRCZGQMIVIW-UHFFFAOYSA-N 365.407 2.440 0 40 FEAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)sc2n1 62580121 HKSNZDREMIOSBZ-ZIAGYGMSSA-N 360.483 2.210 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 3467426 AKZQSCAPQJJVNR-UHFFFAOYSA-N 370.438 2.430 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCO1 13133621 GISIHURYIOSURF-INIZCTEOSA-N 352.456 2.287 0 40 FEAB C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956872 UBYDYCTYEIGTTB-XSUJLISDSA-N 372.437 2.424 0 40 FEAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 4073877 VRRXPGYLVVFZPL-LBPRGKRZSA-N 365.769 2.079 0 40 FEAB biogenic Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NC(=O)c1cccn1C 4444791 AGXRLSKCRYDYKN-UHFFFAOYSA-N 367.361 2.102 0 40 FEAB CC/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9356991 KZKGVUOQCLSYAR-JQIJEIRASA-N 356.426 2.232 0 40 FEAB COC(=O)CCNC(=O)COc1ccc(Br)cc1Cl 14129052 HDDOAWQUHIXUNE-UHFFFAOYSA-N 350.596 2.161 0 40 FEAB COc1ccc(CCNC2=CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 4621068 PPHWYLVJQKHTEO-UHFFFAOYSA-N 370.380 2.432 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)cc1F 6851476 NQEGVVNTQGROGB-UHFFFAOYSA-N 355.369 2.203 0 40 FEAB O=C(CSc1ncnc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12 9420483 BETRVLCYFFATHB-UHFFFAOYSA-N 370.413 2.424 0 40 FEAB CN(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 6949175 KSXJVUXRFONQBG-HNNXBMFYSA-N 364.471 2.174 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@@H]1c1ccccc1 67615661 RFKZJXKPCBSTCV-HZPDHXFCSA-N 370.453 2.096 0 40 FEAB CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1 7959714 WYLXGSKRBHPESO-UHFFFAOYSA-N 352.437 2.453 0 40 FEAB CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 8117148 CMUPAISUEFVHPU-UHFFFAOYSA-N 354.457 2.164 0 40 FEAB NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 8283280 ZLPSJJQIFJIERL-LWYUSKRHSA-N 356.422 2.263 0 40 FEAB COc1c(C)cnc(CN2CCC(N(C)CCN3CCCC3=O)CC2)c1C 91708280 ZVLWYJZBNIMJJB-UHFFFAOYSA-N 374.529 2.226 0 40 FEAB CCOc1cc(CN2CCOCC[C@@H]2C)nc2nc(C(F)(F)F)nn12 95986134 MQUKHSHZVCVLLV-JTQLQIEISA-N 359.352 2.153 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1N1CCCC1=O 8755949 IXWSHKLJRRFWRS-UHFFFAOYSA-N 362.389 2.231 0 40 FEAB COC(C)(C)CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 75310887 PYTXWPXBNCNHTK-UHFFFAOYSA-N 371.279 2.101 0 40 FEAB NC(=O)c1cc(NC(=O)CCSc2ccccc2Br)[nH]n1 89821218 UDIUIYQNTKYLQS-UHFFFAOYSA-N 369.244 2.392 0 40 FEAB CCn1nccc1C(=O)NCCCn1nc(C)c(Br)c1C 28573277 MDCAORBVTAUESK-UHFFFAOYSA-N 354.252 2.299 0 40 FEAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl 34936968 FKRZKWSDFCBHEH-SECBINFHSA-N 368.636 2.340 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218504329 AIYHUHUOFRKZPS-XYJFISCASA-N 363.410 2.026 0 40 FEAB COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC2)c1 36741396 GDTQHIFQDNAUBJ-FQEVSTJZSA-N 354.450 2.486 0 40 FEAB CNCC(=O)N1CCC[C@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 72383004 ISQUGOWAIOPZNC-HNNXBMFYSA-N 354.458 2.157 0 40 FEAB CC(=O)c1ccc(CCNS(=O)(=O)c2cccc3nsnc23)s1 225674724 HZNHPELVURKIGP-UHFFFAOYSA-N 367.477 2.476 0 40 FEAB COc1ccc(C(N)=O)c(OCC(=O)N(C)Cc2ccc(C)cc2C)c1 48231782 FTIBCDYWDJJGSQ-UHFFFAOYSA-N 356.422 2.448 0 40 FEAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225726772 RZQWFGSGQVDLOD-UHFFFAOYSA-N 364.442 2.068 0 40 FEAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223026956 VSKOESHFACANKM-UHFFFAOYSA-N 370.456 2.332 0 40 FEAB Cc1occc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96230472 QLARFWSIPVISLL-FQEVSTJZSA-N 371.412 2.290 0 40 FEAB O=C(Cc1ccccn1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96206011 OAZZLHRZVVBETQ-MAUKXSAKSA-N 357.479 2.045 0 40 FEAB Cc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cs1 96266736 CPTVAJTVNXRUAN-UHFFFAOYSA-N 370.478 2.433 0 40 FEAB CCc1ncnc(O[C@@H]2CCN(C(=O)COc3ccccc3F)C2)c1F 244975189 IFUVJJFOVHCJLX-GFCCVEGCSA-N 363.364 2.376 0 40 FEAB Cc1ccn(-c2ccc(NC(=O)[C@@](C)(O)Cn3c(C)cccc3=O)cc2)n1 585082125 KGAYNFUULATCOD-FQEVSTJZSA-N 366.421 2.041 0 40 FEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)C2CCOCC2)C3)cs1 248052995 SWKZZFINTZMEQQ-INIZCTEOSA-N 366.483 2.155 0 40 FEAB CCN1CCC(C(=O)N2Cc3cccn3C[C@@H](Oc3cccnc3)C2)CC1 249692696 MWBNEODZOQGEDY-HXUWFJFHSA-N 368.481 2.405 0 40 FEAB Cc1onc(C(C)C)c1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257217048 CXEXHONESQEDCN-LJQANCHMSA-N 358.442 2.263 0 40 FEAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccncn3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257317941 VLUYAHIGDOZVDK-BKZNIZDZSA-N 367.449 2.344 0 40 FEAB COC(=O)CCCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 26642106 YDQQTRQDHZOILQ-UHFFFAOYSA-N 374.481 2.268 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 253494889 ZEIIITZOXPBGMF-OAHLLOKOSA-N 354.472 2.071 0 40 FEAB Cc1nc(CC(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)cs1 257297477 RHJYINATPDTFAI-VNQPRFMTSA-N 357.483 2.157 0 40 FEAB Cn1cnc2c(N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)ncnc21 589148623 LQNOLVVYUOUAIM-UHFFFAOYSA-N 374.807 2.118 0 40 FEAB CCc1noc([C@@H]2CC[C@@H](NS(=O)(=O)c3ccsc3C(=O)O)C2)n1 1605876961 VGBGYXDCNDOTFR-RKDXNWHRSA-N 371.440 2.006 0 40 FEAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccoc3C)cc2C1 656882738 JFJYYFKZASDZKE-UHFFFAOYSA-N 354.453 2.033 0 40 FEAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cnn(C(C)(C)C)c2)C1 1775957198 ILTYEEOKHVVKEF-DOTOQJQBSA-N 358.442 2.342 0 40 FEAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@]2(c3ccccc3)CC2(C)C)O1 664584016 ZXXIXXUWUDOFTR-TWOQFEAHSA-N 359.470 2.247 0 40 FEAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCc1ccc(C(F)(F)F)cc1 585279603 DLWISKPATPAMRY-MRXNPFEDSA-N 358.360 2.085 0 40 FEAB COc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3F)C2)cc1 585278878 WKDDJFSLNLSEJS-HXUWFJFHSA-N 359.397 2.281 0 40 FEAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 82982781 AWCQVOCPCMSHKC-CQSZACIVSA-N 357.439 2.014 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CSc1cccc[n+]1[O-])CC2 5167097 WLPGJTDWZIGONZ-UHFFFAOYSA-N 360.435 2.014 0 40 FEAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC(c4ccncc4)CC3)ccc21 12117386 OSNJXEZJKTWODT-UHFFFAOYSA-N 350.422 2.292 0 40 FEAB Cc1ccc2cc(C)c3nn(CCNC(=O)c4ccncc4)c(=O)n3c2c1 12146425 GKTBQOIBJJLITH-UHFFFAOYSA-N 361.405 2.091 0 40 FEAB CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCN1)Cc1cc(C)ccc1O2 12365630 AUOCCPOGLAMMMC-GOSISDBHSA-N 357.498 2.323 0 40 FEAB Cc1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)n12 19286632 ONHHFKPCZIQBOL-BETUJISGSA-N 353.426 2.142 0 40 FEAB Cc1nccn1CCCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 19288102 KVBQFSDLYNBOKA-UHFFFAOYSA-N 358.417 2.095 0 40 FEAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(Cc1ccc(Cl)c(F)c1)C2 19713615 BQCGZFZNOWSOSE-MAUKXSAKSA-N 367.852 2.038 0 40 FEAB COc1cccc([C@H](Nc2ccccn2)c2oc(CO)cc(=O)c2O)c1 19880805 MAHWFBIBHDZFCZ-KRWDZBQOSA-N 354.362 2.443 0 40 FEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCc1ccccc1 842294 QHMNZNHEXIYZRR-UHFFFAOYSA-N 367.453 2.046 0 40 FEAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505210 ZACKRWGAXCKECP-INIZCTEOSA-N 359.513 2.182 0 40 FEAB C[C@@H]1CN(c2ncc(Br)cn2)CCN1Cc1ccncc1F 2086894070 RAPMVKZERPQZMN-LLVKDONJSA-N 366.238 2.484 0 40 FEAB CCOC(=O)Cn1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)n1 6668053 KSEFIUBLIWOBNQ-UHFFFAOYSA-N 361.398 2.496 0 40 FEAB CCOc1ccccc1NC(=O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2086896580 UHXAAPBMOKBMDQ-CVEARBPZSA-N 367.449 2.305 0 40 FEAB CCOc1ccc(NC(=O)C2CCC(CNS(C)(=O)=O)CC2)cc1 36709671 IGXSLFNTDBIOCI-UHFFFAOYSA-N 354.472 2.379 0 40 FEAB Cn1nnnc1SCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1 38486243 ODYLPGQWARJTFV-UHFFFAOYSA-N 371.451 2.317 0 40 FEAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701453 VZYWXUMFVWGJCV-QGZVFWFLSA-N 364.401 2.398 0 40 FEAB O=c1ccc(-c2ccncc2)nn1CC1CCN(C[C@H]2CCOC2)CC1 585501298 YUGMPZRFQFVGLP-QGZVFWFLSA-N 354.454 2.054 0 40 FEAB CC(C)CCn1nc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn2c1=O 2298074383 CFMMIKVBGUTPCM-UHFFFAOYSA-N 350.781 2.486 0 40 FEAB COc1cc(CN2CCC(C(=O)N3CCSCC3)CC2)cc(OC)c1 2298206434 MNLQLRZSEOULCF-UHFFFAOYSA-N 364.511 2.491 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 30032315 YYWCNOQLRQGLAS-BMIGLBTASA-N 371.418 2.172 0 40 FEAB C[C@@H](CCc1ccccc1)NC(=O)CCn1nnc2ccccc2c1=O 31333652 KATILHXYWSXVBT-HNNXBMFYSA-N 350.422 2.319 0 40 FEAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1 20901763 STRVQPLQPDJZEB-UHFFFAOYSA-N 354.454 2.194 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)NCCCO[C@H](C)c1ccccc1 32760000 SWCXXNKJYJIOIO-HIFRSBDPSA-N 353.488 2.061 0 40 FEAB O=C(NCc1ccco1)c1cccc(CN2C(=O)[C@@H]3CCCN3C2=O)c1 55045776 LOVZGEJHLNUSJX-INIZCTEOSA-N 353.378 2.136 0 40 FEAB O=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)Nc1ccccc1 1361753 LMPLOCJVTUFKSV-UHFFFAOYSA-N 362.393 2.327 0 40 FEAB Cc1cccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 25106002 PESNEFOKHZCYQY-UHFFFAOYSA-N 361.449 2.478 0 40 FEAB CCOC(=O)COc1cccc(NC(=O)c2csc(NC(C)=O)n2)c1 25275313 GBCIJIPDMQRYMO-UHFFFAOYSA-N 363.395 2.296 0 40 FEAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)NCc4ccccc4)cc3c21 6733197 DPBZMIULFDTSEC-UHFFFAOYSA-N 369.402 2.158 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C1 25380830 MPWRPZGQOWMCBU-UKRRQHHQSA-N 366.483 2.304 0 40 FEAB O=C1CCc2cc(OS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2N1 25522942 NZLHQFPFZHAUSN-UHFFFAOYSA-N 371.370 2.445 0 40 FEAB CCc1ccc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)s1 43955460 PXEFAEUDOIVUGY-UHFFFAOYSA-N 366.512 2.295 0 40 FEAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)cc1 8476392 XPWXRUYGCJGLRA-UHFFFAOYSA-N 370.384 2.194 0 40 FEAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2 57512898 AOPOLNWKPDKYFB-UHFFFAOYSA-N 358.419 2.315 0 40 FEAB CNC(=O)c1cccc(OCCCS(=O)(=O)c2ccc(F)cc2)c1 58172123 FFGPZGCPQSBGDK-UHFFFAOYSA-N 351.399 2.428 0 40 FEAB Cc1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)n1 58215008 KRFTUBMJQSATNG-KPKJPENVSA-N 357.435 2.483 0 40 FEAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc3nccnc3n2)CC1 58201345 MIUIBEYLFKTPSD-UHFFFAOYSA-N 372.432 2.397 0 40 FEAB COCCCNC(=O)C(=O)NCCOc1ccc(-c2ccccc2)cc1 59417410 BLBXENQAPDDUKB-UHFFFAOYSA-N 356.422 2.001 0 40 FEAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCC(=O)O)ccc12 2107171 XGWMVFASBDHWOQ-UHFFFAOYSA-N 361.394 2.414 0 40 FEAB biogenic O=C(NCCCN1CCCC1=O)c1ccccc1I 36684374 UBJJGBJAGMLZNT-UHFFFAOYSA-N 372.206 2.034 0 40 FEAB COc1cc(C)ccc1OCC(=O)NS(=O)(=O)c1cc(F)ccc1F 60497162 VEAVPGXLSHDXQM-UHFFFAOYSA-N 371.361 2.166 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(C)cs1 2639534 HVMHNZSOFDCOMD-CQSZACIVSA-N 365.480 2.167 0 40 FEAB CN(C(=O)/C=C/c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 46742923 MFAANYHWLMHDHU-NTYUQYKDSA-N 363.357 2.244 0 40 FEAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(F)cc1-n1cnnn1 12323523 AIFRBLVKSZFMDK-UHFFFAOYSA-N 351.297 2.160 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2cccnc2Cl)cc1OC 3396873 ZMBYKYBYZHBVMG-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB O=C(CN1CCCC[C@@H]1C(=O)N1CCCC1)NCCCc1ccccc1 62581192 QNKFRYFPYWSYKS-LJQANCHMSA-N 357.498 2.212 0 40 FEAB C[C@H](CNC(=O)Nc1ccc(F)cc1Br)N1CCOCC1 48451734 LRFKVBXOUBVWHM-SNVBAGLBSA-N 360.227 2.430 0 40 FEAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCC(c2nc[nH]n2)CC1 82980395 VVAZNAYLNWDNJF-GOSISDBHSA-N 353.470 2.423 0 40 FEAB CCN(CCCNC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 9157856 ZOZLPNGVFMZJHN-UHFFFAOYSA-N 355.438 2.197 0 40 FEAB Cc1ccc(C(=O)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 13011983 BKFFUICEGWOVMJ-UHFFFAOYSA-N 357.410 2.244 0 40 FEAB CN1CCC(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)CC1 13198104 YWBIWIANQXLIET-UHFFFAOYSA-N 367.254 2.064 0 40 FEAB O=C(CN1CCN(C(=O)c2cc3ccccc3s2)CC1)N1CCCC1 14121443 IDLWLNALKIDVFJ-UHFFFAOYSA-N 357.479 2.282 0 40 FEAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 6806939 JMPPAWBPOKVPIJ-UHFFFAOYSA-N 363.421 2.001 0 40 FEAB O=C(CSc1cc(Cl)ccc1Cl)N[C@H]1CCS(=O)(=O)C1 6974626 OLGLWXYVCAEDGF-VIFPVBQESA-N 354.280 2.389 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C 7048225 KLDJDWQOTNGDES-UHFFFAOYSA-N 369.377 2.402 0 40 FEAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1N 7979731 KBAACHMBIDOKID-UHFFFAOYSA-N 359.480 2.471 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccccc3)C(=O)O2)c1 96814861 UVOARLUEEQOBIJ-LFIBNONCSA-N 356.403 2.281 0 40 FEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O 92769784 PSPXMRPAUIDBEJ-WQVCFCJDSA-N 368.499 2.212 0 40 FEAB O=C(CCN1CCN(C(=O)c2cccc(O)c2)CC1)Nc1cccc(F)c1 72308321 YQZJVOBXBCHJPI-UHFFFAOYSA-N 371.412 2.318 0 40 FEAB O=C(C1CCN(CCN2CCCc3ccccc32)CC1)N1CCOCC1 84581960 DMVZGOPBOQVSSN-UHFFFAOYSA-N 357.498 2.010 0 40 FEAB NC(=O)c1ccc(C(=O)OCCNC(=O)c2cc3c(s2)CCCC3)cc1 95373443 LZZDOIWZNSTYIC-UHFFFAOYSA-N 372.446 2.313 0 40 FEAB Cc1ccc(OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc1 75077172 WJCBIAATDMNGQS-INIZCTEOSA-N 366.483 2.117 0 40 FEAB COC[C@H](Cn1cncn1)OC(=O)c1cc(Br)cn1C(C)C 89894024 ZZOADFRZJMIVDW-LBPRGKRZSA-N 371.235 2.295 0 40 FEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408653461 JDTYNLVHOZPDPO-UZZFALLVSA-N 363.797 2.328 0 40 FEAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4cccs4)nn23)C1 1501040388 OWPTWANVXSKDOT-VIFPVBQESA-N 369.497 2.053 0 40 FEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(OCc2ccc(F)cc2)c1 39998304 KDTDLLDGFOAYAT-MRXNPFEDSA-N 363.410 2.322 0 40 FEAB O=C(CCN1CCSC1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 32787271 DYTRCMDOFDLLFU-UHFFFAOYSA-N 364.395 2.180 0 40 FEAB COc1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)c(OC)c1 33909245 GLGYHHQAKIXJLX-OQLLNIDSSA-N 364.423 2.030 0 40 FEAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1ccc2ccccc2c1 39985992 MNARNTCOYCCUAW-AWEZNQCLSA-N 364.467 2.002 0 40 FEAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C1CCCCC1 30849867 IEJKRRUJFUYBIN-MRXNPFEDSA-N 352.456 2.005 0 40 FEAB CCOC(=O)n1nc(-c2ccoc2C)nc1S[C@@H]1CCS(=O)(=O)C1 217358060 CJPHUEZIYYOQDZ-SNVBAGLBSA-N 371.440 2.130 0 40 FEAB Cc1ccc(OCCCNC(=O)[C@@]2(C)CC(=O)N3C=CC=CC3=N2)cc1 35316640 JYRBEVBJDJFDCW-HXUWFJFHSA-N 353.422 2.353 0 40 FEAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)c3cccnc3)cc2)[C@H]1CO 72321184 FDLJNBRBLBWMOR-IEBWSBKVSA-N 369.421 2.003 0 40 FEAB biogenic,in-vitro O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NC1CC1 72401523 NPWMQRFUDOEBOE-UHFFFAOYSA-N 371.268 2.104 0 40 FEAB NCC1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218389087 QIZZQDQJMCKMSM-HOTGVXAUSA-N 350.871 2.184 0 40 FEAB CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393287 QFRAMPTZRVRJLA-MSOLQXFVSA-N 361.486 2.477 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1OC 225224163 RANLTFDURQKLEX-STQMWFEESA-N 372.487 2.019 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(F)cc1F 220090265 DRGRSFIKVLKZLF-UHFFFAOYSA-N 366.389 2.320 0 40 FEAB C[C@H]1[C@H](N2CCCC2)CCN1C(=O)N=c1nc(Cc2ccc(F)cc2)[nH]o1 568360663 JYKJLVCZBUUMRB-XJKSGUPXSA-N 373.432 2.312 0 40 FEAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc2c(c1)OCO2 224305242 ROQHGHQFTHXNOY-UHFFFAOYSA-N 371.397 2.303 0 40 FEAB O=C(CCSCc1nnn(CC(F)(F)F)n1)N1CCc2ccccc21 572418789 ZATUJTXOGCOOJI-UHFFFAOYSA-N 371.388 2.448 0 40 FEAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 223740968 KSOBXRFFVMJBHN-DLBZAZTESA-N 358.467 2.346 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 225827574 CZHZYZSSHPLCMW-UHFFFAOYSA-N 363.357 2.465 0 40 FEAB Cc1cc(Br)oc1C(=O)N1CCC(c2nnc(O)o2)CC1 331880068 GEQAUUIKBSHWNF-UHFFFAOYSA-N 356.176 2.459 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1F 583616294 MIFKRGSXMUTRDD-JJRVBVJISA-N 357.447 2.075 0 40 FEAB COCC(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCCC1)c1ccccc12 96079328 CNNXPAMYQDQQJX-KRWDZBQOSA-N 356.466 2.303 0 40 FEAB CCn1nnc2c1CCN(C(=O)c1cc(F)c(F)cc1C)[C@@H]2COC 96068762 GUZIZMAYAHOFIT-OAHLLOKOSA-N 350.369 2.271 0 40 FEAB Cn1ccc(C(=O)N2CC3(C[C@H](CCOc4ncccc4F)CCO3)C2)n1 248145478 RQFZNRPSRUGJQQ-CQSZACIVSA-N 374.416 2.045 0 40 FEAB CC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229666 CSSBPZDYBJWQFO-MFCZKXCZSA-N 368.389 2.052 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 257255766 KITQSYQFTNENMM-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 257281501 OPMXHJBCHYRZEA-HOCLYGCPSA-N 358.360 2.260 0 40 FEAB C[C@@H]1C[C@H](O)CCN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 633868911 KRHALXPTJUGQOT-IUODEOHRSA-N 359.451 2.310 0 40 FEAB CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)CC12CC=CC2 645508281 JNYUKGHGIRFHOG-FZCLSBEQSA-N 361.486 2.199 0 40 FEAB COc1ccc2c(c1)CCCN(C(=O)NCc1nc([C@H]3CCCO3)n[nH]1)C2 654638315 ZYCQHCVGSYUAKI-MRXNPFEDSA-N 371.441 2.323 0 40 FEAB CC(=O)Nc1cc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)ccc1F 1248568850 SGFNXQVCZHODOI-UHFFFAOYSA-N 370.344 2.026 0 40 FEAB CCCC[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](OCC)C(C)C)CC1 1775992958 VTUQLFXVWIZUDB-SJORKVTESA-N 370.534 2.344 0 40 FEAB CNc1ncnc2cc(C(=O)N3CCC[C@@H](CC(C)(C)C(N)=O)C3)ccc12 615677198 FQMSVAZPGCTHGZ-ZDUSSCGKSA-N 369.469 2.425 0 40 FEAB COCCN1CC[C@@]2(CN(C(=O)C3=CCCCC3)CC(F)(F)C2)C1=O 585093152 FMVRATJWAUKPEB-QGZVFWFLSA-N 356.413 2.220 0 40 FEAB CNC(=O)C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cccn2C1 585099005 APXXGNJMHYAUDG-HNNXBMFYSA-N 362.433 2.445 0 40 FEAB O=C(CCC(=O)c1cccs1)Nc1cccc(CN2C(=O)CNC2=O)c1 36393607 DFQPPTOHPDWPOR-UHFFFAOYSA-N 371.418 2.402 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C(C)C)N2CCCCC2)C1 1775959147 KTGZZOMDPJAFDT-XHSDSOJGSA-N 350.463 2.177 0 40 FEAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)NCC4CC4)nc3c2c1C 12182030 UPPMBGRUSDQBKN-UHFFFAOYSA-N 371.466 2.126 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NCC(C)C)nc2-c2ccco2)on1 12253029 NFAZFTVEHKIKFI-UHFFFAOYSA-N 356.382 2.239 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 14352301 HKGZXIMFKCIJIF-CYBMUJFWSA-N 351.366 2.271 0 40 FEAB Cc1cc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc(C)c1O 19570032 QSLKSTNOECLMQQ-UHFFFAOYSA-N 363.421 2.108 0 40 FEAB Cn1c([C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)nc2ccccc21 19715561 KEIKFQMQWUFFOY-MRXNPFEDSA-N 363.465 2.464 0 40 FEAB Cc1ccc(Nc2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nn2)cc1 4304159 RKZMJOOLAFZVAO-KRWDZBQOSA-N 367.453 2.356 0 40 FEAB COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@@H]23 253393482 BKMGDPNQILJWLI-PJBPFLDMSA-N 354.450 2.416 0 40 FEAB biogenic,in-vitro Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 390830483 LIUQXZYCTPTNPW-QGZVFWFLSA-N 354.454 2.277 0 40 FEAB Cc1ccc(NC(=O)CN(C)Cc2cc(=O)n3cc(C)ccc3n2)cc1 7390667 KBOXGGOMVSLLNV-UHFFFAOYSA-N 350.422 2.382 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(c3ccc(S(C)(=O)=O)cc3)C2)nc1 1888870034 ZSASVIZQEDYPTJ-INIZCTEOSA-N 360.483 2.294 0 40 FEAB Cn1nc(C2CCN(c3ncnc4sccc34)CC2)n(C2CC2)c1=O 1888890684 APUOKHOQOSDLRU-UHFFFAOYSA-N 356.455 2.305 0 40 FEAB COc1ccc2nc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)sc2c1 1889149052 NSCYRJJETTZOFT-NSHDSACASA-N 367.496 2.356 0 40 FEAB O=C(NCc1ccco1)NCc1nnc2ccc(-c3cccs3)nn12 238848657 IXYZDOQYEODVAE-UHFFFAOYSA-N 354.395 2.445 0 40 FEAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)CO1 1565553260 QRYIUNRBKRUGFH-QFBILLFUSA-N 363.502 2.450 0 40 FEAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 4373844 QQSJUAKFOOGLMX-MRXNPFEDSA-N 371.412 2.482 0 40 FEAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)c1F 2086865287 DKGOKNMSXYFATJ-UHFFFAOYSA-N 370.436 2.215 0 40 FEAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2ccc(F)c(F)c2)c1=O 38486389 PIWLQKRZBUJJRB-UHFFFAOYSA-N 361.348 2.152 0 40 FEAB O=C(Cc1csc(Nc2ncccn2)n1)NCc1nc2ccccc2[nH]1 44227637 SSVTZFZPWKFLLN-UHFFFAOYSA-N 365.422 2.412 0 40 FEAB CCCn1nc(C(=O)Nc2ccc(OCc3nccn3C)cc2)ccc1=O 40134898 WUKAQRCSMSHHOR-UHFFFAOYSA-N 367.409 2.218 0 40 FEAB C[C@@H](CO)NC(=O)Nc1ccc(I)cc1Cl 40104730 LDVPDVGBQHAMHK-LURJTMIESA-N 354.575 2.447 0 40 FEAB COCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 30882720 MLZCDGLQSYNTBK-UHFFFAOYSA-N 352.390 2.201 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C2=NN=C(N[C@H](C)COC)SC2)c1C 101594638 JYTHMDGAMKTFDE-SECBINFHSA-N 352.460 2.240 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)SCc2nc(N)nc(N(C)C)n2)c(C)c1 32854138 XGTFMOFRTIJRGD-GFCCVEGCSA-N 360.487 2.397 0 40 FEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccc(Cl)cc1 53778991 NEYUBYZIKREIFI-LLVKDONJSA-N 350.854 2.245 0 40 FEAB Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 982878 LFRKTNZYKHVWSK-UHFFFAOYSA-N 350.415 2.071 0 40 FEAB O=C(c1csc(-c2cnccn2)n1)N1CCN(c2nccs2)CC1 77313685 NMADGRCWGGPQOU-UHFFFAOYSA-N 358.452 2.019 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCC[C@H]4C)cnc32)cc1 1330686 XPJYKFZNZRJLOB-OAHLLOKOSA-N 365.437 2.292 0 40 FEAB CCc1ccc(CNC(=O)C(=O)Nc2ccn(Cc3cccnc3)n2)s1 79068154 YZXBPHUCXSFLEJ-UHFFFAOYSA-N 369.450 2.205 0 40 FEAB O=C(COCc1nc2ccccc2s1)NCc1nnc2ccccn12 24333321 VVIDUMKGRIRNAO-UHFFFAOYSA-N 353.407 2.172 0 40 FEAB COc1ccc([C@@]2(OC)Oc3cc(OC)ccc3C(=O)[C@]2(O)OC)cc1 1674550 BBLDREXMAWMDML-RBUKOAKNSA-N 360.362 2.113 0 40 FEAB O=C(CN1CCOc2ccccc21)NCc1cccc(C(=O)NC2CC2)c1 79955581 RJQBWXTUNPGBQG-UHFFFAOYSA-N 365.433 2.094 0 40 FEAB CC(=O)NCCCNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 84753078 RJYTXMORJHQCIG-AWEZNQCLSA-N 358.225 2.129 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1c(=O)oc2ccccc21 24659511 RJMPQYOUFQMXOO-CQSZACIVSA-N 368.389 2.283 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)C1 55662572 ZKKUWXHPQGXPAL-KRWDZBQOSA-N 357.454 2.078 0 40 FEAB CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 25883219 PXPTYSVHJMBCAR-UHFFFAOYSA-N 363.464 2.497 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1cc(COc2ccc(OC)cc2)oc1C 26007258 ORNXKCGMOOXCPP-LBPRGKRZSA-N 360.410 2.430 0 40 FEAB CCOC(=O)C1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 57327653 BTYBUUJMDVTPDW-CYBMUJFWSA-N 364.442 2.264 0 40 FEAB O=C(CCN1CCC[C@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 26913232 FCEVADKSLMUSCG-IBGZPJMESA-N 365.481 2.352 0 40 FEAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 58180433 MTPMFGHJPLLNOS-CQSZACIVSA-N 353.426 2.481 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 11542082 SXPMEUKTBVOQBA-UHFFFAOYSA-N 361.419 2.433 0 40 FEAB COc1cccc(COCC(=O)NC[C@H](CC(C)C)N2CCOCC2)c1 46776808 BTYJOEYBZNASKC-SFHVURJKSA-N 364.486 2.075 0 40 FEAB Cc1ccc(C(=O)NCCNC(=O)Cc2noc3ccccc23)cc1F 26087784 LPAITKVYMLNDCN-UHFFFAOYSA-N 355.369 2.364 0 40 FEAB CCCCCNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12909062 MAUGYWHIQWLGPT-UHFFFAOYSA-N 353.488 2.034 0 40 FEAB Cn1nnnc1SCc1nc(-c2cc(Br)cs2)no1 48705456 RIGUCCYXBRLFMQ-UHFFFAOYSA-N 359.234 2.376 0 40 FEAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)O)cc1 13093520 DACYPGAFAOQDGP-UHFFFAOYSA-N 355.437 2.284 0 40 FEAB Cc1nsc(N2CCCN(C(=O)c3sc(N(C)C)nc3C)CC2)n1 95453135 VTBPNRBFUPRZBJ-UHFFFAOYSA-N 366.516 2.030 0 40 FEAB CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1 6274240 VZXPDZREEYZGDP-INIZCTEOSA-N 364.467 2.458 0 40 FEAB COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1C[S@@](=O)C2 5320295 DOLAMLQVXMJSGC-DEOSSOPVSA-N 351.355 2.087 0 40 FEAB O=S(=O)(c1ccc(F)cc1)N1CCC(c2nnc3ccccn23)CC1 14196634 ZUOCPBBHYWRNEJ-UHFFFAOYSA-N 360.414 2.437 0 40 FEAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NC1CCCCC1 5452453 FSOODACZBNHKIP-UHFFFAOYSA-N 355.442 2.405 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1F 14494226 NRCQHBKTSQFJTJ-UHFFFAOYSA-N 365.382 2.399 0 40 FEAB CCOc1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3sccc32)cc1 6679005 QJFZEKFYRMJRBC-UHFFFAOYSA-N 373.434 2.282 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccccc1 6784923 PXGKVDPOERBBSB-AWEZNQCLSA-N 353.875 2.494 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O 4999871 LPDIOHSSUDAECL-UHFFFAOYSA-N 357.797 2.475 0 40 FEAB Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c1Br 27981865 OWPNWWWTFFNPOX-UHFFFAOYSA-N 366.215 2.308 0 40 FEAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O 67320317 WOAUVDLLWKKYCH-UHFFFAOYSA-N 371.343 2.225 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)c1 7397460 MXSLORKKNKRYKA-WJDWOHSUSA-N 374.393 2.421 0 40 FEAB O=C(NC1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858207 IHEZYKXUOQQCGL-UHFFFAOYSA-N 356.831 2.079 0 40 FEAB COc1ccc(C(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCC(C)C)cc1 89821122 BTNSNNHTQXMYNU-KRWDZBQOSA-N 360.454 2.421 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C)c3ccccc3C2)c1 69088565 IDUMTRNIPGPMHR-OAHLLOKOSA-N 366.465 2.325 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 16966360 INPHDGHJWDXFQC-CQSZACIVSA-N 355.438 2.308 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 8503583 PWTHKJFPEHBGEL-UHFFFAOYSA-N 361.417 2.333 0 40 FEAB CN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 17789979 FLHPRBFIEFCDDW-UHFFFAOYSA-N 362.451 2.339 0 40 FEAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)CC1 9805501 OFOXPQYAVOUJGD-HNNXBMFYSA-N 360.454 2.446 0 40 FEAB COc1ccc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 8746119 DSSISYBZSWTANB-UHFFFAOYSA-N 363.439 2.073 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC2CCC(C)CC2)CC1 95996862 YOGDSSZIKXVUBZ-UHFFFAOYSA-N 354.520 2.348 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc(C)c1C 89585680 HLVAMOBKUKZREE-UHFFFAOYSA-N 373.478 2.409 0 40 FEAB O=C(NC1CCCCC1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 408535097 XUUXBOITINNXDT-UHFFFAOYSA-N 360.439 2.340 0 40 FEAB CCCS(=O)(=O)NC1CCN(Cc2cccc(C(=O)O)c2Cl)CC1 521055978 KTEQUVCRYFRCCY-UHFFFAOYSA-N 374.890 2.332 0 40 FEAB Cc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 31108367 DHKRLBXPGJQVHK-UHFFFAOYSA-N 350.415 2.071 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)O)cc1 218593829 KTHITLFOFMQOCQ-ZOBUZTSGSA-N 365.838 2.370 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCN2)N1CCN(Cc2ccccc2)CC1 78403693 QGIXFVYDDKTLFU-UHFFFAOYSA-N 357.479 2.161 0 40 FEAB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(Cl)nc2)s1 7416336 NQNUCJCZRWMVFU-UHFFFAOYSA-N 352.799 2.472 0 40 FEAB COCc1cc(NC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)ncn1 567030580 DWIFWJHLLZAQCV-LJQANCHMSA-N 368.393 2.265 0 40 FEAB COC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 223614891 CKCQPBLGLLGLDL-UHFFFAOYSA-N 369.424 2.073 0 40 FEAB COc1cccc(-c2c3c(=O)n(-c4ccn[nH]4)ccc3nc3nc(C)nn23)c1 40398530 QDFVJEOTEMRCGD-UHFFFAOYSA-N 373.376 2.136 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1Cl 47080945 FMXMYJPRFYTZKK-JTQLQIEISA-N 360.863 2.074 0 40 FEAB Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 96114297 SNZOUFRLOZSIAT-INIZCTEOSA-N 362.389 2.258 0 40 FEAB biogenic O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1 96076320 FGMZZPNUGDABGZ-HXUWFJFHSA-N 358.486 2.252 0 40 FEAB Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)o1 96060750 HESYQSLDROOTLD-INIZCTEOSA-N 353.426 2.428 0 40 FEAB COc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)nn1 583615208 STFYNIGRIPNILZ-QWHCGFSZSA-N 359.386 2.087 0 40 FEAB CN1CCC[C@@H](CNCc2ccc3c(c2)ncn3C)[C@@H]1c1cncn1C 583616602 QUCRAJJANKCZFC-OXJNMPFZSA-N 352.486 2.480 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1 248160575 XLPDNHQZJPXDBL-INIZCTEOSA-N 358.467 2.040 0 40 FEAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2nccn2C)n1 257319496 VSVDWLAHOSOQGT-AWEZNQCLSA-N 352.398 2.459 0 40 FEAB Cc1cc(NC(=O)CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)nn1C 257310469 UFEPGRQHRRFUMD-GUDVDZBRSA-N 367.497 2.087 0 40 FEAB Cn1cncc1-c1cncc(CC2CCN(C(=O)c3ccccn3)CC2)n1 257323587 WKZRGTCLLJKJNP-UHFFFAOYSA-N 362.437 2.367 0 40 FEAB O=C(NCc1ncccc1NC(=O)c1ccncc1F)c1ccncc1F 543354694 CJMYPXRSMDLKAZ-UHFFFAOYSA-N 369.331 2.332 0 40 FEAB O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257200452 ADJWPYCJXGTAJS-OAHLLOKOSA-N 354.414 2.165 0 40 FEAB CC(C)n1nccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257316397 VFKVJDSCAIGRJR-YJBOKZPZSA-N 370.453 2.249 0 40 FEAB COc1cc(CNC(=O)c2cc3cc(C)ccc3[nH]2)ccc1OCC(N)=O 614096911 XPOIEDAUOKUXIR-UHFFFAOYSA-N 367.405 2.279 0 40 FEAB CCc1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 621306344 XUCGQIPQWNZIDB-INIZCTEOSA-N 365.476 2.197 0 40 FEAB CO[C@@H](CS(=O)(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C1CC1 629331472 RWZKPQKBFJVDBB-BZNIZROVSA-N 352.456 2.323 0 40 FEAB CC(C)Cn1ccc2c(C(=O)N3CCC[C@@](O)(CC(N)=O)C3)cccc21 644000841 XZCKFQKQXWKYBH-HXUWFJFHSA-N 357.454 2.140 0 40 FEAB CCc1noc(COC2CN(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)C2)n1 644287207 IYXQZUWNMLAOJG-LLVKDONJSA-N 374.397 2.032 0 40 FEAB Cc1ccc(CNC(=O)N2CCC[C@@H](n3ccnn3)C2)c(N2CCCC2)n1 644946156 GHAJKFAUYVWBEV-QGZVFWFLSA-N 369.473 2.128 0 40 FEAB COCc1ccccc1/C=C(\C)CN1CCO[C@@H](CN2CCN(C)CC2)C1 646076509 NPCCXKHZIVFACT-SLTDHEAWSA-N 373.541 2.185 0 40 FEAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)CN(C)C(C)C)CC3)c1 585110464 YUAYELIXEAAYFD-UHFFFAOYSA-N 370.497 2.491 0 40 FEAB CCS(=O)(=O)c1cccc(CNC(=O)NC[C@H]2CCCCN(C)C2)c1 685939087 ZKBAIKJRTDRVPG-MRXNPFEDSA-N 367.515 2.011 0 40 FEAB CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)Cn2nc3c(cc2=O)CCCCC3)C1 72324398 XVTOFRVAONHSRU-DJIMGWMZSA-N 361.486 2.222 0 40 FEAB CCN(C)[C@H](C(=O)N1C[C@@H](OC)C[C@@H]1c1nnc(C)o1)c1ccccc1 1775957474 WVFDUHCFOCOOGD-BBWFWOEESA-N 358.442 2.359 0 40 FEAB CCCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H]1CC(=O)N(C)C1=O 513945066 UOHVPTNUMKIDPP-HNNXBMFYSA-N 374.828 2.340 0 40 FEAB CCc1ccc2c(CN3C(=O)C(=O)N(CC(C)C)C3=O)cc(=O)oc2c1 5972400 XOPNUQRBXXPPMX-UHFFFAOYSA-N 356.378 2.302 0 40 FEAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@@H](c2ccc3c(c2)OCO3)N1 11665711 KUUACLXPRDMUJG-MRXNPFEDSA-N 369.402 2.127 0 40 FEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1noc2ccccc12 12914375 XDIBWQDXQCYMQB-GFCCVEGCSA-N 373.434 2.237 0 40 FEAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(O)cc2)CC3)C[C@@H](C)O1 19497591 IUHFVSSZAQESPK-ZIAGYGMSSA-N 370.453 2.060 0 40 FEAB COc1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cc(OC)c1 19595144 LCXHFSTUSZOXBT-UHFFFAOYSA-N 365.433 2.472 0 40 FEAB Cc1csc(=O)n1CCCC(=O)Nc1nc2c(s1)CN(C)CC2 23608753 UWHBDABVRWCANX-UHFFFAOYSA-N 352.485 2.082 0 40 FEAB COc1ccc(CC(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)cc1F 1565545588 LFLQZVPCAWXODV-LPHOPBHVSA-N 364.461 2.335 0 40 FEAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 2457032 GKIBBVSSYQOOLL-UHFFFAOYSA-N 366.443 2.441 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1 23106687 QEKHUVCLCXZHKM-OAHLLOKOSA-N 374.466 2.064 0 40 FEAB Brc1cnc(NCCN2CCN(c3ccccc3)CC2)nc1 67349733 OYFSAJWCAXDIJC-UHFFFAOYSA-N 362.275 2.473 0 40 FEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 40088726 VMNGCHFMIRLASN-SJCJKPOMSA-N 351.406 2.310 0 40 FEAB CCc1[nH]c(SCC(=O)Nc2nc(C)c(CC(=O)OC)s2)nc1C 20095105 SBHDGEOVSZEEMR-UHFFFAOYSA-N 368.484 2.492 0 40 FEAB Cc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2s1 20426837 JFRMLWXTXGJCRB-UHFFFAOYSA-N 361.448 2.182 0 40 FEAB CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 20755680 UYSXNCFZCCQNEU-SHJAMOMRSA-N 358.482 2.385 0 40 FEAB biogenic CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101593121 PCOFFVXKZRABOG-NVXWUHKLSA-N 368.320 2.044 0 40 FEAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)s2)CC1 32925051 HYPVCQLVNDFZJV-UHFFFAOYSA-N 350.893 2.336 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1 23641609 GCQCYRZKJSHJEZ-UHFFFAOYSA-N 368.433 2.310 0 40 FEAB COc1ccc(Cl)cc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12460368 FMOSMLIOJUCELS-UHFFFAOYSA-N 373.796 2.381 0 40 FEAB O=C1CN(c2ccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)cc2)CCN1 54656881 WYMUQAXLVWKWDQ-GOSISDBHSA-N 364.405 2.079 0 40 FEAB CCCCN(CC(N)=O)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 79105789 FRUJNRIFNVPJDL-UHFFFAOYSA-N 353.271 2.411 0 40 FEAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 24487926 IBICGFSYYXUNNZ-UHFFFAOYSA-N 368.437 2.174 0 40 FEAB Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)no2)cc1 24789996 OXLLUEMKZOLZNY-UHFFFAOYSA-N 354.366 2.278 0 40 FEAB COC(=O)[C@@H](CNc1ccccc1)[C@@](O)(c1nccn1C)C(F)(F)F 24927077 WGRAIYRARNLEJO-IUODEOHRSA-N 357.332 2.071 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1C 3893881 CKFKONMSELPWBW-UHFFFAOYSA-N 355.393 2.342 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 57021799 GDHWILOZRUEVBP-HNNXBMFYSA-N 350.827 2.405 0 40 FEAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cccc(F)c2)c1 57784332 FLHFXVJWPPCPIF-UHFFFAOYSA-N 351.338 2.050 0 40 FEAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c1 57997090 VUHVYYHPJJYIEL-HNNXBMFYSA-N 368.437 2.232 0 40 FEAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCC2)CC1 10036141 AAUPUKOTSPMKCK-INIZCTEOSA-N 364.877 2.136 0 40 FEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 58184499 ILRRYPAOYDSAJE-SFHVURJKSA-N 355.419 2.104 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@H]2CCCN(C(C)C)C2)nn1-c1ccccc1 58203441 IZOOCRSVNYRKSO-QGZVFWFLSA-N 368.481 2.391 0 40 FEAB CC(C)(C)NC(=O)CS(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 58604355 TVQNYYASLAAOST-UHFFFAOYSA-N 361.847 2.036 0 40 FEAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C 36614533 MAAJHMGYKOJZDA-UHFFFAOYSA-N 367.809 2.277 0 40 FEAB CSCCCNC(=S)NC[C@H](C)N1CCN(c2ccccc2)CC1 36847407 IIMMIONHPADUMN-INIZCTEOSA-N 366.600 2.414 0 40 FEAB CC(C)Cn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccccc1F 2642664 ICPCZJKSHPODHI-JTQLQIEISA-N 365.434 2.416 0 40 FEAB C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 95997699 QKVATGBDQSMIJS-MEDUHNTESA-N 365.861 2.154 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10314215 NDSHYTWTOHMNSO-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 101274272 YKNMGHPFYVQIRA-SFHVURJKSA-N 353.397 2.280 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21 3493137 AYPNJGAQOPFFEV-QGOAFFKASA-N 364.401 2.296 0 40 FEAB CC(=O)c1cccc(NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 9322866 LUYVVOIVAZLPGV-UHFFFAOYSA-N 369.377 2.421 0 40 FEAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCCCC1 6112313 DNVOFTHUOUUBDK-UHFFFAOYSA-N 350.216 2.172 0 40 FEAB Cc1ccc(Nc2nc(N)nc(COc3ccccc3C(N)=O)n2)cc1 5298125 KCTHMKDKISTRHO-UHFFFAOYSA-N 350.382 2.184 0 40 FEAB Cc1cc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)on1 65498052 VXPSZIUAHTYNLH-UHFFFAOYSA-N 363.364 2.430 0 40 FEAB C[C@H](NCCN1N=C(c2ccccc2)CCC1=O)C(=O)Nc1nccs1 65433529 WAAQQTZOAZEKNA-ZDUSSCGKSA-N 371.466 2.086 0 40 FEAB Cc1ccc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)cc1 14160594 XTSDSNCMYFHRDO-UHFFFAOYSA-N 356.403 2.273 0 40 FEAB CC1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O 7320940 FEINTLGIUYJVFA-OAHLLOKOSA-N 357.435 2.284 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]2CN2CCOCC2)cnn1-c1ccccc1 80908151 WGOPOHCNAYFURR-SFHVURJKSA-N 354.454 2.118 0 40 FEAB Cc1cc(C)n(CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 7814437 GJRXGZHLBKRAQN-UHFFFAOYSA-N 373.482 2.095 0 40 FEAB O=C(CN1C(=O)CCOc2ccccc21)N[C@H]1CCOc2ccccc21 8029236 KHFPZJJSQWGSAU-HNNXBMFYSA-N 352.390 2.442 0 40 FEAB COc1cccc(OC)c1OC1CCN(CC(=O)NC(C)(C)C)CC1 71953060 BHZFYEDFCXFNSE-UHFFFAOYSA-N 350.459 2.462 0 40 FEAB C[C@H](C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)N1C(=O)CCC1=O 69962652 IVROGSPAYZCCON-YGRLFVJLSA-N 366.364 2.319 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)c1nc(Br)cnc1N 72301551 XBEXZANLAZQRRO-UHFFFAOYSA-N 365.231 2.247 0 40 FEAB COc1ccc(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9903919 SSBDARKWYVXIIP-UHFFFAOYSA-N 369.421 2.412 0 40 FEAB COc1cc(CNC(=O)N2CCN(C(=O)C3CC3)CC2)c2ccccc2n1 75111507 MFGHDZSYOAWGJB-UHFFFAOYSA-N 368.437 2.007 0 40 FEAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@@H](n2cncn2)C1 174259872 DNYOIGSOOAUIOD-GOSISDBHSA-N 354.458 2.294 0 40 FEAB CCOC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2ccccc21 39556702 GOPYMOCRNKBMHV-DHDCSXOGSA-N 357.435 2.234 0 40 FEAB Cn1c(=O)c(CSc2nnc(O)n2C[C@H]2CCCO2)cc2ccccc21 566019228 BVPLYZBKINUPEX-CQSZACIVSA-N 372.450 2.307 0 40 FEAB COc1cc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCCO3)C2)cc(OC)c1 87502848 INCDMKNFJZOWRM-SJORKVTESA-N 362.470 2.354 0 40 FEAB Cc1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)nn1-c1ccccc1 570035013 KVCSNVYWVHGEKM-FTRWYGJKSA-N 370.453 2.981 0 40 FEAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCO)c1ccccc1 223475747 MKVZQGXHUSIHLX-LJQANCHMSA-N 358.413 2.414 0 40 FEAB Cc1cc(C)n(CCC(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 225754105 OEDCLTKBKJJPHZ-UHFFFAOYSA-N 356.474 2.276 0 40 FEAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)c2ccccc21 96079307 CVCOPMWUWJZOCT-MRXNPFEDSA-N 364.449 2.192 0 40 FEAB CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(OC)cc1 96519926 CUPXCEPVBQBAEU-WDEREUQCSA-N 357.653 2.451 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227023 HVOZTFXQJHITGU-WIYYLYMNSA-N 367.424 2.318 0 40 FEAB Cn1ccnc1N1CCC(NC(=O)c2ocnc2-c2ccccc2)CC1 579555620 ZZSZSLUPJJGFFJ-UHFFFAOYSA-N 351.410 2.474 0 40 FEAB CCN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@@H]1CCOC1)CC2 96199680 AKMWYFSRIPJZSW-MSOLQXFVSA-N 356.466 2.420 0 40 FEAB O=S(=O)(N[C@@H]1CCc2ccccc2OC1)c1cccc(-c2nnco2)c1 585079973 BLBBSJKVAXJNMY-OAHLLOKOSA-N 371.418 2.409 0 40 FEAB COc1ccccc1CN1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 248122452 FVVZCRHUBJUVNG-GOSISDBHSA-N 374.481 2.068 0 40 FEAB Cc1cc(F)ccc1C(=O)N1Cc2cncn2[C@H](COc2ncccn2)C1 247821048 GLAZSFNJQQXXRH-INIZCTEOSA-N 367.384 2.397 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccnnc2)C3)n1 247854074 BSHMJZGZOPIPLZ-INIZCTEOSA-N 356.451 2.097 0 40 FEAB O=C(O)c1nn(-c2ccccc2)nc1N1CCN(Cc2ccccc2)CC1 256048353 SKMOMNAKNVQEDI-UHFFFAOYSA-N 363.421 2.288 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)N2CCC3(CC=CCOC3)CC2)c1 257265435 LYQIMFNDMAVXCN-UHFFFAOYSA-N 351.424 2.132 0 40 FEAB O=C(c1ccc(CN2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257343944 ZVBPDCQHGUTAGB-PMACEKPBSA-N 368.481 2.317 0 40 FEAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccccc1F 85467683 UARXLBUVIRLGET-HNNXBMFYSA-N 359.376 2.331 0 40 FEAB CNc1cc(CC[C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ccn1 257245942 IRUQYCITZAUKEJ-MRXNPFEDSA-N 358.442 2.131 0 40 FEAB Cc1sc(=O)n(CC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c1C 618455593 LXMQUPDXSVZIKG-DLBZAZTESA-N 360.479 2.151 0 40 FEAB CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1ccc(OCC(=O)O)cc1)C2 630230044 DUTOYGJHCZWICP-UHFFFAOYSA-N 369.421 2.436 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1F 96096535 BTJFKZDPGBCQQT-GOSISDBHSA-N 369.396 2.414 0 40 FEAB Cn1cc(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)SCC3)cn1 390829036 WDAOCJCCOZXXIV-UHFFFAOYSA-N 361.452 2.190 0 40 FEAB CN(C[C@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1)S(C)(=O)=O 296188926 MAVSQWLUESYZDJ-OAHLLOKOSA-N 364.511 2.309 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)nc1 585275926 BBNIKZRSHMQVDT-OAQYLSRUSA-N 354.450 2.074 0 40 FEAB Cc1nc2ncnn2c(N2CCC(S(=O)(=O)c3ccccc3)CC2)c1C 1776009411 ZOMVLXVVCRYXKQ-UHFFFAOYSA-N 371.466 2.184 0 40 FEAB CC(=O)N1CCC(N2C[C@H](c3ccccc3)[C@H]3CN(C(C)=O)CC[C@H]32)CC1 1615157070 ZOKKIRDQMYYTLH-YPAWHYETSA-N 369.509 2.334 0 40 FEAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 12184781 OSQUKUJNMBEZBW-XQJRBRMLSA-N 370.449 2.190 0 40 FEAB O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19375460 HMSAMJJEWBXTRA-RBUKOAKNSA-N 364.449 2.100 0 40 FEAB Cc1ccccc1N1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)CC1=O 19661681 KIYBVIIPEPLMEU-KRWDZBQOSA-N 355.482 2.435 0 40 FEAB O=C(CSc1nc(O)c(C2CCCCC2)c(O)n1)NC[C@H]1CCCO1 8578685 NXYVERNTXFUFPP-GFCCVEGCSA-N 367.471 2.323 0 40 FEAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(C)=O)cc2)c1 10787609 FQCYIIDJYPTPKU-UHFFFAOYSA-N 357.362 2.459 0 40 FEAB CN(C)CCn1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 19583096 NSEWPJKSQOBKHI-MRXNPFEDSA-N 364.453 2.018 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCC1(c2ccccc2)CCOCC1 30426182 SZJYJLYTYVEEAL-UHFFFAOYSA-N 350.440 2.318 0 40 FEAB CC(C)OC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 3192657 XTXKIRWLARWOQK-UHFFFAOYSA-N 369.468 2.044 0 40 FEAB O=S(=O)(N1CCCCCC1)N1CCN(c2nc3ccccc3o2)CC1 25061291 UXTBINTYESZKEZ-UHFFFAOYSA-N 364.471 2.071 0 40 FEAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1F 39197680 QMSCQQXETQSYFE-INIZCTEOSA-N 364.442 2.005 0 40 FEAB Cc1cnc(C)c(OC2CCN(Cc3nnc([C@H]4CCOC4)o3)CC2)n1 2086968224 FUBFCJSCGNSHBS-AWEZNQCLSA-N 359.430 2.024 0 40 FEAB COCCN1CCCC2(CCN(C(=O)c3cccc(Cl)n3)CC2)C1=O 1565554618 CMHYSSPROSRXRU-UHFFFAOYSA-N 365.861 2.226 0 40 FEAB COc1ccccc1-c1cnc2n1CCN(C(=O)c1csnn1)CC2 1565542693 JIIIYDUAVNZQDF-UHFFFAOYSA-N 355.423 2.109 0 40 FEAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccccc1 2966890 MIOPKVBLDRZSBE-HNNXBMFYSA-N 364.430 2.061 0 40 FEAB O=C(COc1ccccc1)Nc1ccc(SCC(=O)N2CCCC2)nn1 11792388 PNPWVYLGUZIOHS-UHFFFAOYSA-N 372.450 2.209 0 40 FEAB Cc1ncoc1C(=O)N1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055751036 AMTPFEDANVESCV-UHFFFAOYSA-N 356.426 2.158 0 40 FEAB O=C(NCCn1cc(-c2cccnc2)cn1)c1ccc2nsnc2c1 585148378 MCCODHJOFHNYKX-UHFFFAOYSA-N 350.407 2.380 0 40 FEAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1ccc(OC(F)(F)F)cc1 952962969 MRKNEPUIWXYQAU-ZDUSSCGKSA-N 351.346 2.335 0 40 FEAB O=C1CCCN1c1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 20523075 TWBYQOWREZHRTG-SFHVURJKSA-N 363.417 2.235 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c[nH]c2ccccc12 32883854 IPUZCIXTTYICTP-UHFFFAOYSA-N 357.435 2.348 0 40 FEAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCNC(=O)C1 21918933 GFCLLLKVTLNVAP-IBGZPJMESA-N 353.422 2.197 0 40 FEAB CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1C(N)=O 103186840 ZWERZTLRDGWTBX-HNNXBMFYSA-N 356.426 2.141 0 40 FEAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 22284006 QGMGAFXELKBUML-UHFFFAOYSA-N 365.433 2.266 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)c1ccc(N2CCCC2=O)cc1 23718341 JHLWHNICCFACDF-UHFFFAOYSA-N 364.449 2.213 0 40 FEAB COc1ccccc1NC(=O)Cn1c(=O)nc(N)c2c3c(sc21)CCC3 71279436 BGQMDQMYOYJXFA-UHFFFAOYSA-N 370.434 2.176 0 40 FEAB Cn1ncc(I)c1C(=O)N1CCc2ccccc2C1 888140 PQDLOIXNDPAUHG-UHFFFAOYSA-N 367.190 2.223 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)n1 97138289 VEHYXQVGLQIOLE-GOSISDBHSA-N 352.438 2.372 0 40 FEAB CN(CC(=O)N1CCC[C@H]1c1ccncc1)S(=O)(=O)c1ccccc1 25094437 ZWQQRJNZLRMBAA-KRWDZBQOSA-N 359.451 2.066 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 7939727 XXIIFTKFNRLEGQ-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB CC(=O)N[C@H](C(=O)N1CCN(CCc2cccs2)CC1)C1CCCC1 56302482 ZNTGYVWXALFADH-SFHVURJKSA-N 363.527 2.130 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 56331816 WJGTYEQDXOVHAL-UHFFFAOYSA-N 354.410 2.412 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 57363974 KPQIANCUTCSPFD-UHFFFAOYSA-N 353.422 2.356 0 40 FEAB COc1cc(CNC2CCCC2)cc(Br)c1OCC(N)=O 8469989 QGFKSJAWPWOHHY-UHFFFAOYSA-N 357.248 2.354 0 40 FEAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O 53140474 QCXOAZLEVYWVBK-GOSISDBHSA-N 363.845 2.366 0 40 FEAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)cn2)n1 27666325 UNABHIGJAOEQOO-UHFFFAOYSA-N 361.210 2.224 0 40 FEAB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 2129448 KQQCIXXDBUVQJP-KRWDZBQOSA-N 369.465 2.425 0 40 FEAB biogenic Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)c1ccc(F)c(F)c1 28179779 QKWPYWPTVWGVAQ-UHFFFAOYSA-N 362.288 2.153 0 40 FEAB CCCOc1ccc(OCC(=O)N(C)CC(=O)Nc2cc(C)on2)cc1 53307913 QHTRREYIRTVKDL-UHFFFAOYSA-N 361.398 2.248 0 40 FEAB NS(=O)(=O)c1ccc(OCCN2CCC[C@H]2Cc2ccccc2)cc1 28278897 JUKWDFFUCBWRPL-KRWDZBQOSA-N 360.479 2.420 0 40 FEAB Cc1ccccc1N(CC(=O)N[C@@H]1COc2ccccc21)S(C)(=O)=O 58727919 LTJFGQKGZNNCID-OAHLLOKOSA-N 360.435 2.011 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 104209549 BOLBRZWHNIBFRJ-UVJYDBKJSA-N 373.412 2.226 0 40 FEAB COc1cccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1 11478983 OXCOSVGOLIVOLS-UHFFFAOYSA-N 370.405 2.258 0 40 FEAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cn2cncn2)cc1 11605391 YTCGGLVBOPAGSD-UHFFFAOYSA-N 364.405 2.070 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CCN(Cc1ccncc1)C2=O 108532273 GXWLKRXJVLPTTJ-HXUWFJFHSA-N 353.470 2.220 0 40 FEAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1CCS(=O)(=O)C1 46551745 IIZJSWJKYMWOBX-JTQLQIEISA-N 370.883 2.309 0 40 FEAB O=S(=O)(NCCCO)c1cc(Cl)c(Br)cc1Cl 54363538 XQZRQHYDJGTXTH-UHFFFAOYSA-N 363.060 2.417 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)N1CCC[C@H]1Cc1ccccc1 12738216 JARVOQAMXMOXTB-INIZCTEOSA-N 363.417 2.336 0 40 FEAB COC(=O)C1(NC(=O)c2cc(OC)c(OC)c(OC)c2)CCCCC1 12749428 CADCRBXOZSDRDP-UHFFFAOYSA-N 351.399 2.318 0 40 FEAB NC(=O)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 57202339 WSARSSCFSRHTPN-UHFFFAOYSA-N 372.396 2.377 0 40 FEAB Cc1ccnc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 62022899 AHAIVMXJJUBRIE-HNNXBMFYSA-N 363.425 2.221 0 40 FEAB CCOC(=O)C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@@H]3CC(=O)OCC 13143489 BLLOUEOOKLDRST-OKILXGFUSA-N 362.334 2.016 0 40 FEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2nncs2)CC1 13323832 LMJWXAMQOGIETJ-UHFFFAOYSA-N 351.863 2.261 0 40 FEAB O=C(CSc1ccc2c(c1)OCCO2)NC1(C(=O)O)CCCCC1 13426190 QIJDTNDVQNIRMB-UHFFFAOYSA-N 351.424 2.454 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC)nc2)c1 14184099 VYMWAGLQEDHMIK-UHFFFAOYSA-N 363.439 2.373 0 40 FEAB Oc1nnc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@@H]2c1ccco1 111999807 ZYFMHORTWNMFMT-CQSZACIVSA-N 351.301 2.263 0 40 FEAB CCCn1nc(C(=O)NC2CCN(C(C)C)CC2)c2ccccc2c1=O 14187437 BJCCMRZLSVCDDP-UHFFFAOYSA-N 356.470 2.409 0 40 FEAB CCn1c2ccccc2c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)nc21 4509960 KRBTYYKVWXPWBT-ZDUSSCGKSA-N 372.454 2.311 0 40 FEAB Cc1ccc2c(c1)C[C@@](C)(C(=O)Nc1cccc(-n3cnnn3)c1)OC2=O 5486922 FPDLJPJAWOLUMX-IBGZPJMESA-N 363.377 2.081 0 40 FEAB COc1cccc(NC(=O)[C@H](Cc2ccccc2OC)c2nnn[nH]2)c1 4673547 BRHOTLDDCAKUIG-OAHLLOKOSA-N 353.382 2.182 0 40 FEAB CCCCN(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 5560410 FQJZHFIYSCTOQH-UHFFFAOYSA-N 371.503 2.436 0 40 FEAB CN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)C1CCCCC1 5635442 SAWUYDUMNIQHEA-UHFFFAOYSA-N 371.528 2.215 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cccs2)cc1 6941694 SLHQTSYTRJHARU-UHFFFAOYSA-N 352.481 2.336 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1c(F)cccc1F 7248182 SRFFSCAEZJZEFZ-LLVKDONJSA-N 355.362 2.425 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sccc2c1=O 7495473 XDGYIPCBBQNIJX-NSHDSACASA-N 368.418 2.222 0 40 FEAB CC(=O)NCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1 7424849 RIEZZOSVYYAEHB-UHFFFAOYSA-N 360.222 2.131 0 40 FEAB Cc1onc2c(=O)n(C)nc(C(=O)NCC3(Sc4ccccc4)CC3)c12 68214958 AYLOQPWAUZPGGX-UHFFFAOYSA-N 370.434 2.285 0 40 FEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 9501505 LWGWWVWWYXELMQ-HXUWFJFHSA-N 357.454 2.332 0 40 FEAB COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1F 7805743 CSKOROVXFYYUKK-UHFFFAOYSA-N 367.398 2.164 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 16313995 MDLIULGKRVVLPF-SNVBAGLBSA-N 350.758 2.489 0 40 FEAB CCOc1cccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 8029948 MHRTVPQAKAZDCD-UHFFFAOYSA-N 367.398 2.444 0 40 FEAB COc1ccc(Cc2nnc(SCC(=O)Nc3nncs3)o2)cc1 8333432 CTYDKVLWISROPR-UHFFFAOYSA-N 363.424 2.251 0 40 FEAB Cc1nnnn1-c1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)ccc1F 69717340 CWQUIKUEOALKOE-MRXNPFEDSA-N 374.351 2.104 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)n(C)c1 8881889 MLQOUSDRUIYTCR-UHFFFAOYSA-N 353.419 2.447 0 40 FEAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)NCc2ccccn2)N=C1O 8993195 KPKZPVYKTLINSC-YOEHRIQHSA-N 366.421 2.364 0 40 FEAB CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229571 DZFZJCLDWOJGMF-HNNXBMFYSA-N 354.472 2.073 0 40 FEAB COc1ccc(C(=O)OCc2cc(C)no2)cc1S(=O)(=O)NC(C)C 21306449 OOVWOQMAXZONTO-UHFFFAOYSA-N 368.411 2.035 0 40 FEAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408606460 MBUZNSVAOQCFHW-WDEREUQCSA-N 362.879 2.320 0 40 FEAB Cc1cc(Cn2nnc(C(=O)N[C@H]3c4ccc(F)cc4O[C@H]3C)c2C)on1 516796541 KPKDLDUTRAUKCG-APPDUMDISA-N 371.372 2.322 0 40 FEAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1F 30752994 QHRKRWOWFIYQKZ-KBPBESRZSA-N 358.479 2.481 0 40 FEAB CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C[C@H](C)n2ccnc2)s1 565052259 WMTQJYCSWUKJPI-TUAOUCFPSA-N 364.475 2.028 0 40 FEAB COc1cc2ncn(CCC(=O)Nc3ccc(C)cn3)c(=O)c2cc1OC 32071930 UQRMFJFEJABPOM-UHFFFAOYSA-N 368.393 2.146 0 40 FEAB CCN1CCN(CCCNC(=O)c2cc(F)cc(Br)c2)CC1 46788390 LYVREIBQLGWPGO-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB O=C(Nc1cccc2nsnc12)[C@@H]1COCC(=O)N1Cc1ccccc1 70641303 OIHDXWCKJLRITQ-HNNXBMFYSA-N 368.418 2.057 0 40 FEAB COc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1OC 224158907 QJPOBRMHBIBEBZ-UHFFFAOYSA-N 356.426 2.414 0 40 FEAB COC(=O)CNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 41097941 PBHWBDUEKZEVAX-UHFFFAOYSA-N 369.805 2.464 0 40 FEAB Cc1ccc(N2CCOC[C@]3(CCCN(Cc4ccccn4)C3)C2)nn1 96229168 BGUFHYBTTPDCCW-FQEVSTJZSA-N 353.470 2.299 0 40 FEAB CC1(C(=O)N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)CC1 96143011 QBRHQUALCJDKSL-IBGZPJMESA-N 360.479 2.329 0 40 FEAB O=C(NCCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95472588 UYSMPWXZCXMGQP-NSHDSACASA-N 356.357 2.007 0 40 FEAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)c(OC)c1OC 95117709 CWVUNHBUIYIDFY-VIFPVBQESA-N 373.361 2.012 0 40 FEAB O=S(=O)(c1cccnc1)N1CCC(Oc2ccncc2Cl)CC1 245053448 OVDOHWQWCYYPNB-UHFFFAOYSA-N 353.831 2.362 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 247805324 ANORTFLMSJOWBP-QGZVFWFLSA-N 367.449 2.496 0 40 FEAB CN(C(=O)c1ccc(CN2CCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257333890 YDNQMZHZYJECDF-VAMGGRTRSA-N 368.481 2.316 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)Cn2ccnc2)C1 257232790 GMLBTZFEHFMDET-OAHLLOKOSA-N 366.425 2.036 0 40 FEAB Cn1cncc1-c1cncc(C2CCN(C(=O)c3cncs3)CC2)n1 257344017 ZVLJOOQLFGVPBZ-UHFFFAOYSA-N 354.439 2.353 0 40 FEAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4cc(C)nc(C)n4)C3)cn2c1 257252440 JUTYLZMEFAOKAY-QGZVFWFLSA-N 351.410 2.263 0 40 FEAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cn([C@H]2CCCNC2)nn1 646280020 PMBODHKMGDMMKX-QRGHLMKCSA-N 371.426 2.070 0 40 FEAB O=C(O)c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)nc1 649463371 IYVCZLXSFXWCIP-UHFFFAOYSA-N 369.421 2.236 0 40 FEAB Cc1cc(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)c(F)cc1F 1615545607 BNWTVTLHTKONMO-ULQDDVLXSA-N 364.392 2.268 0 40 FEAB COc1ccc(CN2CCCN(C)CCN(C)CCCN(C)CC2)cc1 68604346 VFVSRQPFRJDKNI-UHFFFAOYSA-N 362.562 2.086 0 40 FEAB biogenic CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 26991363 WVOSGMMLLMNESX-DZKIICNBSA-N 350.484 2.174 0 40 FEAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 585285983 GDIVKZJVEZRDHH-FPOVZHCZSA-N 363.498 2.093 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)CCc3ccccc3)CC2)on1 58265773 UOCXVGKFJUXTFM-MRXNPFEDSA-N 370.453 2.087 0 40 FEAB COc1ccc2nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)sc2c1 85558537 CMDOIUOCJZQABK-ZDUSSCGKSA-N 361.467 2.380 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(C(N)=O)c3)CC2=O)cc1 97658257 MWDKREZYPAHEKM-MRXNPFEDSA-N 351.406 2.081 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N(Cc1cccs1)C1CC1)[C@H]1C=C[C@H]2C1 103065726 AYPNCCBVGXGNPW-SYWGBEHUSA-N 356.447 2.046 0 40 FEAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCC2)C1=O 3309261 KCWIANMYHFTUAC-INIZCTEOSA-N 370.236 2.383 0 40 FEAB C[C@H](C(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1)n1cccn1 1888853723 YXOZCMRSEBEFOD-CABCVRRESA-N 357.458 2.459 0 40 FEAB O=c1c2ccc(F)cc2ncn1CC1CCN(c2ncc(F)cn2)CC1 1888897418 SDIYCMZLAPKFTL-UHFFFAOYSA-N 357.364 2.381 0 40 FEAB COc1ccc(OC)c(CN2CCN(c3nccn4nccc34)CC2)c1 1889186926 CVYITGIKQZMOBD-UHFFFAOYSA-N 353.426 2.069 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CN(c3ncnc4[nH]cnc34)CC[C@H]21 2037843811 KBBRVNNGSCQLSR-IXDOHACOSA-N 362.437 2.194 0 40 FEAB O=C(Nc1nnc(-c2cccnc2)o1)c1cccc(N2C(=O)CCC2=O)c1 4264997 PPOXHRMVCAGYCE-UHFFFAOYSA-N 363.333 2.037 0 40 FEAB COC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 9325302 ITCDSRXKOSGICJ-UHFFFAOYSA-N 365.455 2.490 0 40 FEAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 13139248 CSQQBEMRVOAXTG-OKILXGFUSA-N 364.423 2.013 0 40 FEAB COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1 31158121 AEKPZNDJHWFONI-LJQANCHMSA-N 356.330 2.078 0 40 FEAB biogenic,in-vitro O=C(Nc1nccs1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905530 VZPFGJLFJNPDHJ-UHQDVWGKSA-N 353.403 2.068 0 40 FEAB Cn1c(S)nc2cc(C(=O)NCCc3ccc(F)cc3)ccc2c1=O 102171223 NGGKVAQDVDNJEM-UHFFFAOYSA-N 357.410 2.334 0 40 FEAB COc1ccc([C@@H](CNc2ccc3nnnn3n2)N2CCCCC2)cc1 32871798 AUOGWWHHSCMHEM-MRXNPFEDSA-N 353.430 2.167 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 22683116 JZBQOEAKNHFYIH-ROUUACIJSA-N 356.397 2.326 0 40 FEAB Cn1nnc2cc(C(=O)N3CCN(C(=O)CCC4CCCC4)CC3)ccc21 104240207 VVHUUUHQTWFMER-UHFFFAOYSA-N 369.469 2.223 0 40 FEAB Cc1ccc(C(=O)CCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)s1 23641029 IDSVYGKSBDMTBA-HNNXBMFYSA-N 350.484 2.343 0 40 FEAB Cc1cc(C)c(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c(=O)[nH]1 23652388 ZMESVPQUNHYUMD-UHFFFAOYSA-N 362.813 2.275 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1 810058 HFNSLVMPIAGYNG-UHFFFAOYSA-N 361.467 2.017 0 40 FEAB N[C@@H](CCC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2380039 AOUQQKUEQYCBGY-KRWDZBQOSA-N 368.389 2.244 0 40 FEAB CCOC(=O)c1cc(C(=O)OCC)c2nnc(-c3ccccc3)n2c1N 3128628 FOOJQJPZUFHHHL-UHFFFAOYSA-N 354.366 2.332 0 40 FEAB NC(=O)COc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 55583505 KIBWLKQLOXQMTP-UHFFFAOYSA-N 358.778 2.144 0 40 FEAB O=C(O)C[C@@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@H]4[C@@H]1[C@H]2C[C@@H]35 100136560 SQIFUSVCLFHGOI-OSIYDRLKSA-N 352.434 2.242 0 40 FEAB in-vitro NC(=O)c1ccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 8316232 PXFPEFKPDIUTGR-UHFFFAOYSA-N 369.465 2.447 0 40 FEAB O=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 57784907 ZBJLULOAFNPZPO-IAGOWNOFSA-N 362.426 2.282 0 40 FEAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCSC(F)(F)F 58227309 FEUYAYWOLRNXFR-UHFFFAOYSA-N 372.372 2.052 0 40 FEAB COC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(C(=O)N(C)C)c1 58218851 FPGFDJJIFINPQF-LJQANCHMSA-N 352.434 2.488 0 40 FEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nnc(-c2ccco2)s1 102862837 VCAIGDZIQLWSQO-QWRGUYRKSA-N 374.422 2.302 0 40 FEAB O=C(CNc1ccccc1N1CCCCC1)NC(=O)NCC(F)(F)F 11168385 DMURHAMHFSSWGV-UHFFFAOYSA-N 358.364 2.477 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCCC2)CC1 59923335 NKCHPCVLGABLGA-UHFFFAOYSA-N 350.484 2.181 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4ccnn4C)CC3)CC2=O)n1 108527048 WYNQWWPOSVNDAH-UHFFFAOYSA-N 353.470 2.138 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 3386810 JWVPZJXGTNSDQU-UHFFFAOYSA-N 359.334 2.228 0 40 FEAB CCc1[nH]c(C(=O)NCc2ccnc(-n3ccnc3)c2)c(C)c1C(=O)OC 62580626 VICHBGZXWSYMBX-UHFFFAOYSA-N 367.409 2.183 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 3484689 YUNUQYVZFDDEOY-SFHVURJKSA-N 363.417 2.277 0 40 FEAB CCCNC(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1cc(C)ccc1C 12915174 TYHLPWYNUIMCSZ-UHFFFAOYSA-N 371.485 2.194 0 40 FEAB COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cccc(F)c2)cc1 13195915 ISGIMSLAVWDOIB-HNNXBMFYSA-N 353.371 2.329 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408601026 DRKHCNBQTHNSFA-UHFFFAOYSA-N 354.472 2.155 0 40 FEAB COc1cc2nc(SCCc3ccccc3)n(N)c(=O)c2cc1OC 71327763 MRHJCBLIHBZPQT-UHFFFAOYSA-N 357.435 2.462 0 40 FEAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 6085004 PSRVKCSAJQSGQZ-SFHVURJKSA-N 350.422 2.106 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 6078963 GSOAIPWUJGFXHT-SUMWQHHRSA-N 368.437 2.032 0 40 FEAB Cc1cccc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)n1 13730606 REZBQDDDLUIHIZ-CYBMUJFWSA-N 374.466 2.077 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)CNC(=O)c2ccc(F)cc2)c1 14170442 UMQYHOGHBLLEEQ-LBPRGKRZSA-N 360.385 2.450 0 40 FEAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)N1CCOCC1 14183628 MNVQJKZGHJRHKX-JKSUJKDBSA-N 361.486 2.318 0 40 FEAB CCn1c(-c2ccc(Cl)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5453418 GBHSSSIRHILJGD-UHFFFAOYSA-N 357.801 2.027 0 40 FEAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCC1CCCCC1 6649542 AUSVUIMIKDCGDR-GFCCVEGCSA-N 357.410 2.165 0 40 FEAB Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6623930 JXPDRYDJIBCYMN-NSHDSACASA-N 373.405 2.337 0 40 FEAB biogenic COC(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1 4785086 JQWXWASSOHXZBW-UHFFFAOYSA-N 361.419 2.417 0 40 FEAB Cc1c(C(=O)NCCCCCc2nnc3ccccn23)cnc2ccnn12 95477418 CCSGFOMTDBTSMT-UHFFFAOYSA-N 363.425 2.223 0 40 FEAB CN(CC(=O)NCc1ccco1)C(=O)CSc1nc2ccccc2o1 6881308 DFARYAHGPMQIIO-UHFFFAOYSA-N 359.407 2.288 0 40 FEAB Cc1cccc(C2(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)CC2)c1 95425120 HSYSYMSZAKCTDZ-UHFFFAOYSA-N 366.417 2.409 0 40 FEAB CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 15347775 PVLYPWJXRXEIKD-UHFFFAOYSA-N 358.769 2.243 0 40 FEAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 7077854 XRDFIPRDHAPJIP-GEUDXBDSSA-N 360.391 2.387 0 40 FEAB Nn1c(SCc2cc(=O)n3c4c(sc3n2)CCCC4)nnc1C1CC1 7160569 BSLFLUXCXSKACQ-UHFFFAOYSA-N 374.495 2.110 0 40 FEAB COCCNc1nnc(SCc2nc3ccsc3c(=O)[nH]2)s1 9512583 KVHKBYJUVIWCNJ-UHFFFAOYSA-N 355.470 2.187 0 40 FEAB COc1ccc(/N=c2\sc(C(C)=O)c(C)n2N2CCN(C)CC2)cc1 16949840 BNLCLQMPJRQCFR-HNENSFHCSA-N 360.483 2.185 0 40 FEAB NC(=O)[C@H](CNC(=O)NCc1cc(F)ccc1F)Cc1ccc(F)cc1 69441211 CAHLNPOBAYGKAX-ZDUSSCGKSA-N 365.355 2.247 0 40 FEAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc21 17304171 CTUGFIBPAQZMRM-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB O=S(=O)(c1cnc2ccsc2c1)N1CCN(Cc2ccco2)CC1 83980759 VIPIJUXQGWGOQP-UHFFFAOYSA-N 363.464 2.396 0 40 FEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(-n2cnnn2)c1 9734545 MVNNPBJEZZEYIK-QGZVFWFLSA-N 370.457 2.322 0 40 FEAB O=C(NCCc1nc2c(s1)CCCC2)c1csc(-c2nc[nH]n2)n1 89764731 GEOZPYGMNCUXSL-UHFFFAOYSA-N 360.468 2.236 0 40 FEAB Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)N1CCCC1 408606288 OOCIWJVBGTUDJW-UHFFFAOYSA-N 368.499 2.324 0 40 FEAB C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1Nc1cccc(F)n1 1043284377 OACUVMISSUGBJP-UHOFOFEASA-N 368.412 2.354 0 40 FEAB COCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(N2CCCC2)n1 67256946 XXRJXAVPOZGZKE-UHFFFAOYSA-N 370.453 2.245 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cn2)CC1 25178040 OTRLJUOUWJTGPI-UHFFFAOYSA-N 374.828 2.468 0 40 FEAB COc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OCC(N)=O 22241288 WHQOBYHUOFEOJT-UHFFFAOYSA-N 352.774 2.078 0 40 FEAB O=S(=O)(c1cccc2cnccc12)N1CCN[C@@H](Cc2ccccc2)C1 39325679 NWPLYJKTTNORCR-SFHVURJKSA-N 367.474 2.440 0 40 FEAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(O)cc3)CC2=O)c1 32093509 CVXRWCDTQBFWMZ-LBPRGKRZSA-N 356.378 2.401 0 40 FEAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nn1 77099916 WEBAEJMAQOMTPG-UHFFFAOYSA-N 368.315 2.464 0 40 FEAB Cn1nc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl 71195665 CFRGBEJXOVYGGY-GFCCVEGCSA-N 356.817 2.462 0 40 FEAB CCOC(=O)c1cc(I)ccc1N1CCOCC1 39951643 GZLFDASIUVGRSF-UHFFFAOYSA-N 361.179 2.305 0 40 FEAB NC[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428509 XIHCLCRTZLATCX-IXDOHACOSA-N 351.855 2.217 0 40 FEAB Cn1c(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)nc2ccccc21 49372087 OAIXQGFBNXBAGI-UHFFFAOYSA-N 374.448 2.408 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1ccccc1F 225163016 SFTFMKJFYQJBPF-UHFFFAOYSA-N 362.426 2.177 0 40 FEAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)[nH]1 223163437 HYLRDCCUTCLVBQ-QZTJIDSGSA-N 371.510 2.023 0 40 FEAB CCc1c(C)sc2nc3n(CCN(C)C)nc(SC)n3c(=O)c12 40266317 ZAMXPAHWRJBLKA-UHFFFAOYSA-N 351.501 2.260 0 40 FEAB C[C@H](NC(=O)C1CCCC1)C(=O)NCCc1cnn(-c2ccccc2)c1 40145291 FYPBGCHWEBKHQM-HNNXBMFYSA-N 354.454 2.226 0 40 FEAB NC(=O)c1cc(CC2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n[nH]1 225565357 WPOTUOFPARGXCR-UHFFFAOYSA-N 360.845 2.186 0 40 FEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 145511718 QFBGGGWHIYEHEA-UHFFFAOYSA-N 366.370 2.372 0 40 FEAB Cc1cccc(C(=O)N2C[C@H]3CC[C@@]4(NC(c5ccccc5)=NC4=O)[C@H]3C2)n1 96061761 XQUWUQIETHRWJT-HYFFOGBASA-N 374.444 2.187 0 40 FEAB Cc1cccc(C(=O)NC[C@H]2OCCc3cn(CC4CCOCC4)nc32)n1 96059770 RXKPPPSRKWKHPG-GOSISDBHSA-N 370.453 2.057 0 40 FEAB O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 96602224 LCZXICCWOCJATN-RDJZCZTQSA-N 369.373 2.047 0 40 FEAB COc1cc(C(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc(C)n1 583618842 RHWQOBFNVSLRQZ-CHWSQXEVSA-N 359.348 2.070 0 40 FEAB COc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 244165383 VAKDFOAICNDXJT-UHFFFAOYSA-N 352.387 2.239 0 40 FEAB C[C@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027915 JLKWMWWDAXZDEJ-YVEFUNNKSA-N 369.373 2.109 0 40 FEAB COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c1 252536850 JRHYRFDIEFRDHO-HDJSIYSDSA-N 363.439 2.154 0 40 FEAB CNc1cc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)ccn1 257316900 VHMLCURAYGMJDL-OAHLLOKOSA-N 350.426 2.274 0 40 FEAB COc1ccccc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 36589841 QAQVQSJVEMWJKG-OAHLLOKOSA-N 353.378 2.165 0 40 FEAB biogenic CC(=O)NC[C@H]1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1 625677386 FWQJSLDPZBYNEO-QGZVFWFLSA-N 371.547 2.268 0 40 FEAB C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@H]32)CC1 630221309 XKSSDDBTORNSSR-PDLPPMLWSA-N 362.857 2.233 0 40 FEAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccc(OCC(=O)O)c3)C2)n1 659758668 VXPWVLYPLOFGTL-INIZCTEOSA-N 357.410 2.441 0 40 FEAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 90613268 GSZMUXIGSHLLTH-CYBMUJFWSA-N 372.299 2.357 0 40 FEAB CNc1cnc(-c2noc([C@H]3CCc4nnn(CC(C)C)c4C3)n2)cn1 1775960518 PSCPVRSXBLFFID-NSHDSACASA-N 354.418 2.088 0 40 FEAB Cc1c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cnn1-c1ccccc1 96380141 FCCDTTCRHHVPFK-UHFFFAOYSA-N 361.467 2.076 0 40 FEAB Cc1cc(OC[C@]2(CC(N)=O)CN(C(=O)C(C)C)CCO2)ccc1Cl 585287156 VBIVLPNLWPVXDH-SFHVURJKSA-N 368.861 2.156 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 56064790 GHFXINHOSZCSNL-LBPRGKRZSA-N 367.496 2.155 0 40 FEAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080352 HIGJXSHPBQDFEJ-MRXNPFEDSA-N 365.441 2.113 0 40 FEAB Cc1cccc(CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)c1 5000178 DZLJOVGMDGRJHG-OALUTQOASA-N 367.449 2.321 0 40 FEAB O=C(Cc1ccc(Br)cc1)NCCc1nnc2ccccn12 5451991 UQGVVXYAYPVILO-UHFFFAOYSA-N 359.227 2.393 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nc2ccc(F)cc2s1 12775349 WQVAZZSQPMQKLS-UHFFFAOYSA-N 371.401 2.253 0 40 FEAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16637283 ZGJPHTCCYBLMKK-NSHDSACASA-N 362.879 2.274 0 40 FEAB CC(=O)c1ccc(CCNS(=O)(=O)c2cn(C)c(C(C)C)n2)s1 225674337 BOFSTFZXZIZNAX-UHFFFAOYSA-N 355.485 2.329 0 40 FEAB O=C1CC[C@H](N2CCN(c3nccc(Oc4ccccc4)n3)CC2)CCN1 516245002 VVQVBQQYHJDFRN-INIZCTEOSA-N 367.453 2.060 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@H](CNc2nccc(C(F)(F)F)n2)C1 585080310 GXBHHFGMTODOOA-NSHDSACASA-N 366.409 2.359 0 40 FEAB O=C(Cn1nnc2ccccc21)NC(=O)NC12CC3CC(CC(C3)C1)C2 5110094 AUZSUYFMOUDHNG-UHFFFAOYSA-N 353.426 2.226 0 40 FEAB O=C(c1cnccn1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843091 SUEHBEIDBLKZLA-TXEJJXNPSA-N 363.343 2.099 0 40 FEAB O=C([C@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1)N1CCOCC1 1888850382 WQFCBEHEARLURC-NSHDSACASA-N 361.339 2.315 0 40 FEAB O=C([C@@H]1CN(Cc2cccc(Br)c2)CCO1)N1CCCC1 1889128495 WPWKBWDRKUDMHB-HNNXBMFYSA-N 353.260 2.272 0 40 FEAB CCOC(=O)N1CCC(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 23995786 NRFHFNKIIMNKJS-UHFFFAOYSA-N 362.382 2.425 0 40 FEAB O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2ccco2)CC1 25304718 MKFLOLLUYACQHH-LJQANCHMSA-N 372.465 2.186 0 40 FEAB O=C(CC1CCOCC1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985628 QATZXZZUYJZYKE-OAQYLSRUSA-N 372.465 2.085 0 40 FEAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]3C2)cs1 1565542579 PDGNFFFBYVXLMH-OKILXGFUSA-N 360.458 2.119 0 40 FEAB COc1ccc(C)cc1NC(=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O 4033805 WZPQDXFPONOEIM-UHFFFAOYSA-N 351.362 2.095 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2cccc(F)c2)C1 2055747116 JWUAQLOBJKUDAD-FQEVSTJZSA-N 373.403 2.337 0 40 FEAB COc1ccc(CC(=O)NCCOc2ccc3c(c2)OCO3)cc1OC 22480471 GWBZKKLJORQJTG-UHFFFAOYSA-N 359.378 2.170 0 40 FEAB COC1(CNS(=O)(=O)c2ccc3c(c2)CCO3)Cc2ccccc2C1 225721679 UERPZNNCNCQGSF-UHFFFAOYSA-N 359.447 2.084 0 40 FEAB COC[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1 575605765 DCDHTNOQLFDPRA-QGZVFWFLSA-N 369.870 2.461 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nc(C4CCNCC4)ncc3C2)cc1 19209886 UJKVDVCIDTWOPA-UHFFFAOYSA-N 350.466 2.379 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1OC 103532599 KWGHCGLSACSWSS-WMZOPIPTSA-N 366.373 2.305 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1F 30334141 LIRGWCKYDLUDRZ-UHFFFAOYSA-N 365.430 2.308 0 40 FEAB COc1ccc(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 32247966 ITLJZJLLBCKQEI-HXUWFJFHSA-N 354.450 2.255 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)[C@@H]1CCCCN1c1ncccn1 32809886 KGKFNIIYTKRFEY-HNNXBMFYSA-N 374.466 2.099 0 40 FEAB CN(CCC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCO2 32870855 FDAXEQGYXWEGBW-UHFFFAOYSA-N 361.423 2.036 0 40 FEAB CCN(CC)[C@@H](CNC(=O)CNC(=O)c1ccccc1)Cc1ccccc1 23197519 UNIGNDDPSNVEMT-HXUWFJFHSA-N 367.493 2.486 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 105770235 VNVIKPMFEVIGDB-CADBVGFASA-N 361.530 2.358 0 40 FEAB CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 56061621 AXRKOZRKWNXMPX-UHFFFAOYSA-N 358.463 2.404 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(O)c1 12598689 WAFXLQHACIGHJA-HXUWFJFHSA-N 365.389 2.033 0 40 FEAB CN1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 58218517 QURBJHPZLYOAEZ-LLVKDONJSA-N 355.232 2.044 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(N)=O 58224297 KSYSUCYDJALRDS-SFHVURJKSA-N 363.417 2.405 0 40 FEAB Cc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1NS(C)(=O)=O 58248994 VTAJCQMMAZYDED-OAHLLOKOSA-N 367.515 2.217 0 40 FEAB Cc1nc2ccccc2c(C)c1C(=O)OCCN1C(=O)NC(C)(C)C1=O 28184512 MTWOMSKBBQZRJO-UHFFFAOYSA-N 355.394 2.339 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 11215689 WKTHWUQNZJTRAN-LRDDRELGSA-N 353.440 2.432 0 40 FEAB Cc1ccc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1F 11260473 REPXSYSPRKOPGL-UHFFFAOYSA-N 359.332 2.406 0 40 FEAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(OC)c(OC)c3)nc2s1 24810610 JGVYQYAPPJLFCJ-UHFFFAOYSA-N 374.466 2.363 0 40 FEAB O=C(O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 3239646 RHQYYIVDRJCNCZ-UHFFFAOYSA-N 362.338 2.166 0 40 FEAB CCCOC(=O)c1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990602 UJAGEPMIMQSNPC-UHFFFAOYSA-N 362.411 2.183 0 40 FEAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(Oc2ccccc2)cc1 11905168 GUPNNFBUDYQGPP-UHFFFAOYSA-N 351.362 2.358 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSCCC(=O)O 12743428 KZNQZHLXTGFRNN-UHFFFAOYSA-N 361.467 2.372 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 9112580 ZBHCBLQKNSSCOL-KRWDZBQOSA-N 350.374 2.299 0 40 FEAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(CN2CCOCC2)CC1 48333519 FEMMNVIMHSMLMT-GOSISDBHSA-N 364.873 2.214 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)c1 23107830 QEJRZAFMEJBHBC-CYBMUJFWSA-N 370.496 2.347 0 40 FEAB CCCNS(=O)(=O)c1cc(C(=O)NCC(C)C)ccc1N1CCCC1 10009838 GNPFWAGAEUUEMB-UHFFFAOYSA-N 367.515 2.361 0 40 FEAB Cc1cccc(COc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 12948606 XROISZUDCSLOIC-QGZVFWFLSA-N 359.447 2.491 0 40 FEAB CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 48605535 NLXAZUZWHIHACM-GHMZBOCLSA-N 351.834 2.428 0 40 FEAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(I)c1 49452298 LBYFPNSATGJQLQ-ZJUUUORDSA-N 374.222 2.324 0 40 FEAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc2c(c1)CCC2 4166612 NIQLVBJPTKTJIR-GOSISDBHSA-N 353.374 2.497 0 40 FEAB CCCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)CC)s2)cc1 9306870 DKSOTIISXJNKAK-UHFFFAOYSA-N 355.441 2.373 0 40 FEAB O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccncc1 65215771 NEBLYSNTRXYDNF-UHFFFAOYSA-N 350.353 2.238 0 40 FEAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 6287782 XFCASDHJFYKOMQ-UHFFFAOYSA-N 350.321 2.351 0 40 FEAB CCN(CC)C(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 408555662 GYTNUPYBSVPZSX-NSHDSACASA-N 362.879 2.372 0 40 FEAB CCc1[nH]c(C(=O)OCC(=O)N2CCCCCC2)c(C)c1C(=O)OC 14169307 ZPMANUSDVUCCKB-UHFFFAOYSA-N 350.415 2.232 0 40 FEAB CC(C)(CNC(=O)c1ccc(F)cc1Br)N1CCOCC1 14246521 VXWWPCPUIIOSJS-UHFFFAOYSA-N 359.239 2.429 0 40 FEAB CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(COC)nn2c1N 20636104 LRUATOSIAIEFHE-UHFFFAOYSA-N 361.789 2.350 0 40 FEAB CCN(C(=O)Cn1c(=O)n(CC)c(=O)c2sccc21)c1ccccc1 6678891 IONWIFBGKQVVPB-UHFFFAOYSA-N 357.435 2.298 0 40 FEAB C[C@@H](CCCC(C)(C)O)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 15108523 PPEJNDSDFMADBH-AWEZNQCLSA-N 368.499 2.421 0 40 FEAB CCOc1ccc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1 7249717 FDOBLLUMOMWNPA-UHFFFAOYSA-N 352.350 2.101 0 40 FEAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)c1 7716974 RPNIQVMXSPVAAB-YXZJEIOKSA-N 365.454 2.256 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 7804937 QGXCHKUCZFYNFC-UHFFFAOYSA-N 350.484 2.327 0 40 FEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@@H]1COc2ccccc2O1 7967985 OJTDOHVTETXBJN-SFHVURJKSA-N 370.405 2.322 0 40 FEAB O=C(NCc1ccccc1CN1CCCC1)c1cnc2sccn2c1=O 8231409 HVJSBSUEXQWRTK-UHFFFAOYSA-N 368.462 2.282 0 40 FEAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 8492709 ISFIDVYFINZOTR-LBPRGKRZSA-N 354.410 2.324 0 40 FEAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC(C)C)c1 408710354 ZABNVTDBSXFCJV-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB Nc1nc(CSc2nnc(N)s2)nc(Nc2ccc(F)cc2)n1 8539913 ZZBZWSYDXUPJCT-UHFFFAOYSA-N 350.408 2.063 0 40 FEAB COc1ccc(CN(C)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8752414 LFODFLLNVSXTMQ-UHFFFAOYSA-N 371.368 2.310 0 40 FEAB COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccc2cc(OC)ccc2n1 95994176 SFXFETIYDUROSB-RHSMWYFYSA-N 358.394 2.036 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)N1CCc2c([nH]c3ccccc23)C1 89914549 YTMHKKSMSHRHJF-UHFFFAOYSA-N 358.401 2.463 0 40 FEAB biogenic C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@@H](C)O1 89930218 XJISTFBNMASBDG-PHIMTYICSA-N 368.817 2.076 0 40 FEAB CN1C(=O)CCc2cc(NC(=O)c3ccc4[nH]c(=O)n(C)c4c3)ccc21 125921629 DCICKRXEHYTCLD-UHFFFAOYSA-N 350.378 2.028 0 40 FEAB CC[C@H](C)CNC(=O)c1ccc2ncc(N3CCN(C(C)=O)CC3)nc2c1 306140333 UQGKWYRKPLTZPA-AWEZNQCLSA-N 369.469 2.074 0 40 FEAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)COc1coc(C)cc1=O)CC3 524732929 BXLWERZRKSUBIO-UHFFFAOYSA-N 368.389 2.402 0 40 FEAB biogenic CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218316711 CKMPGDVUBWNHCB-GJZGRUSLSA-N 368.451 2.008 0 40 FEAB COc1cccc(-c2nc(C(=O)NCCC(=O)O)nn2-c2ccccc2)c1 30834308 FFVLARIARQPLEF-UHFFFAOYSA-N 366.377 2.147 0 40 FEAB CN1C(=O)CO[C@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1cccc(F)c1 72241679 UVWQPNVQHCLISJ-ROUUACIJSA-N 360.360 2.180 0 40 FEAB CCCc1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)s1 44901448 PBCNGGIYHTYVAJ-NSHDSACASA-N 359.411 2.219 0 40 FEAB Cc1nn2c(nnc3c(=O)n(C(N)=S)ccc32)c1-c1ccc(Cl)cc1 40396030 QPVNSSYVRLGRIA-UHFFFAOYSA-N 370.825 2.160 0 40 FEAB COc1cccc2cc(C(=O)NCCCc3cnc4ncnn4c3)oc12 225642552 YQPWTNPEBRJRIQ-UHFFFAOYSA-N 351.366 2.242 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCC[C@@H](C)C1 223174795 SBHVJJFIJPQNRZ-CQSZACIVSA-N 368.499 2.137 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1Cl 226685988 JPRSCKHYXWCOCL-UHFFFAOYSA-N 369.830 2.003 0 40 FEAB Cc1cccc2c1cnn2CCC(=O)N1CCC(C(=O)NC(C)C)CC1 223208387 WCGRWXRVVHVDQY-UHFFFAOYSA-N 356.470 2.498 0 40 FEAB CN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 226034979 IYMCWRMGQXJVCG-UHFFFAOYSA-N 350.415 2.250 0 40 FEAB CC(C)NC(=O)OC1CN(c2nc(-c3ccncc3)nc3c2CCC3)C1 585083376 YWHMQPHAJZYVQR-UHFFFAOYSA-N 353.426 2.351 0 40 FEAB CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2c(C)nn(C)c2Cl)C1 583615381 GFMNAUSMMDIJAD-CMPLNLGQSA-N 352.788 2.413 0 40 FEAB Cc1cc(CN2Cc3cncn3C[C@@H](COc3ncccc3F)C2)no1 96209358 JHZUILGPCIAVIE-AWEZNQCLSA-N 357.389 2.425 0 40 FEAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)C1CCOCC1)CC2 96199672 WBZTYMALKWGCTE-SFHVURJKSA-N 356.466 2.420 0 40 FEAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)Cc3ccsc3)CC2)N1 96199738 WLCPMSFTYVXFKF-MRXNPFEDSA-N 355.463 2.351 0 40 FEAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248379900 OHEYYUJZPXPOOX-PQKJENKHSA-N 355.442 2.371 0 40 FEAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2Cl)n1 604382229 LQCPUPMGJALTKE-PSBWJHGTSA-N 361.873 2.129 0 40 FEAB biogenic,in-vitro Cc1cncc([C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 257257038 KNVVYVSGBRGXQY-OAHLLOKOSA-N 350.426 2.464 0 40 FEAB CCCn1nccc1-c1cc([C@@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 257259907 LAPUGAICXKTQAK-CQSZACIVSA-N 363.487 2.198 0 40 FEAB CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cccc(-c2cnc(N)nc2)n1 257277877 NZWJGOQDBWAQOT-OAHLLOKOSA-N 361.405 2.197 0 40 FEAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257295616 QZEBHCZXWTUQQZ-GOSISDBHSA-N 350.426 2.392 0 40 FEAB CCn1nc(C)c(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c1C 257275132 NOAWKLCRCXOZFM-OALUTQOASA-N 354.454 2.136 0 40 FEAB O=C(O)c1ccccc1-n1cc(CN2CC[C@H](Cc3ncccn3)C2)cn1 257200029 ABRWSOJCFJGJBC-OAHLLOKOSA-N 363.421 2.425 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)on1 253600433 PKDZXCUMEDBOHN-BQFCYCMXSA-N 357.410 2.072 0 40 FEAB CN(C)Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1 257238518 HLJQKEWQBNLJQQ-IBGZPJMESA-N 354.454 2.012 0 40 FEAB CNC(=O)C[C@]1(O)CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 644039868 RQGFPJVCRDGDSI-WIXQSORDSA-N 358.482 2.450 0 40 FEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575402559 CIVFFKJZVGTSFQ-HNNXBMFYSA-N 356.513 2.205 0 40 FEAB CO[C@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1ccccc1C 585291222 NLOHXKKZLFIYOY-OCXKFJFWSA-N 372.509 2.289 0 40 FEAB CC(=O)N1CCN(Cc2cc[nH]n2)C[C@@H](Cc2ccc3ncccc3c2)C1 585182520 ZOMGTIXKIAWFPC-GOSISDBHSA-N 363.465 2.481 0 40 FEAB CCc1ccccc1CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 77398604 SKOXTFGGACCUAR-UHFFFAOYSA-N 361.467 2.292 0 40 FEAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(NS(C)(=O)=O)c1 41675495 ICGDBKCZQHVHIQ-NSHDSACASA-N 358.423 2.425 0 40 FEAB Cn1cnn(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1=O 95456829 PLABGMKENQAYBF-HNNXBMFYSA-N 362.842 2.203 0 40 FEAB O=C(O)C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCO1 91292882 YXHXDOHKVHKUJZ-SECBINFHSA-N 362.607 2.418 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 1775957308 MYUQJMVGVHZZCT-DOPJRALCSA-N 370.453 2.113 0 40 FEAB O=C1[C@@H](N2CCC(c3nnc(C4CC4)o3)CC2)CCN1CC(F)(F)F 1849081621 WPDPPLIMICPXSS-LBPRGKRZSA-N 358.364 2.290 0 40 FEAB Cc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3sccc3n12 12088749 HUBZMTCPTYFHTJ-NSHDSACASA-N 367.434 2.292 0 40 FEAB CCCC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 12187075 RJRLZBAMDIXTPU-UHFFFAOYSA-N 363.845 2.204 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 15190170 FBJXDCPVKYMMBK-UHFFFAOYSA-N 365.389 2.024 0 40 FEAB CS(=O)(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19572343 PAFSSFCTNFHADQ-UHFFFAOYSA-N 358.423 2.424 0 40 FEAB Cc1nn(C)cc1NC(=O)CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 19658846 VJPLICJDELUUEJ-OAHLLOKOSA-N 366.469 2.498 0 40 FEAB O=C(COc1ccccc1F)Nc1cnn(CC(=O)NC2CCCC2)c1 19746230 MANOIYMFHOLPTQ-UHFFFAOYSA-N 360.389 2.099 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c(F)c1 618201488 ZQXVTBCZQUPEFT-UGSOOPFHSA-N 357.385 2.179 0 40 FEAB CCCn1c(N)c(-c2csc(-c3ccc(O)cc3)n2)c(=O)n(C)c1=O 8297592 VQRRMZZDSKMVGZ-UHFFFAOYSA-N 358.423 2.035 0 40 FEAB O=C(NCCn1ccc2ccoc2c1=O)c1cc(=O)c2ccccc2o1 238861378 KSYHJKXFDVUODO-UHFFFAOYSA-N 350.330 2.131 0 40 FEAB Cc1cc(C)c2nc(N3CCN(c4ccc(=O)n(C)n4)CC3)sc2c1 2086992545 AVYXNEFBSUXTHP-UHFFFAOYSA-N 355.467 2.333 0 40 FEAB Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)cs1 1565552823 YAEGIPCJYXGCNR-DOTOQJQBSA-N 371.462 2.065 0 40 FEAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1 1565544213 GBFFFXQFBWWSTG-PXCRPINLSA-N 374.456 2.164 0 40 FEAB Fc1ccc(CNC(=S)N2CCN(CCc3ccccn3)CC2)cc1 4708190 INGPVSJXPLVRIY-UHFFFAOYSA-N 358.486 2.456 0 40 FEAB O=c1ccc(-c2ccncc2)nn1C1CN(c2ncnc3sccc23)C1 1775974526 IPOHGSCYUQILGH-UHFFFAOYSA-N 362.418 2.371 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCOCC1 23181797 KMYYBAQGVMPUSS-WMLDXEAASA-N 366.508 2.488 0 40 FEAB O=S(=O)(CCOc1ccccc1)NCCn1cc(-c2ccoc2)cn1 575614757 FOORFOXOQQSGTN-UHFFFAOYSA-N 361.423 2.142 0 40 FEAB COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165184 DAHAZZINIHXZSK-UHFFFAOYSA-N 360.395 2.074 0 40 FEAB CCCNC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2ccccc2)CC[C@H]1O 2332241580 IYFURQDMCOXPJP-USXIJHARSA-N 357.458 2.282 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc(C(=O)O)c1 100216105 OJOOHJOLGXYNRB-MJVIPROJSA-N 371.422 2.239 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)CC2)c1 32913307 ACHZRVIRIJNREK-QGZVFWFLSA-N 358.486 2.037 0 40 FEAB CC1CCC(N(C)C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)CC1 22106454 LIFQVOCAIBEBNH-UHFFFAOYSA-N 367.467 2.284 0 40 FEAB CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC[C@@H]3C(=O)OCC 626311 NPXAEXGJOUPWRT-JTQLQIEISA-N 364.423 2.384 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)OCc1ccccc1 807112 MFSOGUXUPHQSMZ-UHFFFAOYSA-N 360.373 2.326 0 40 FEAB COc1ccccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 861982 BNGMPKADJORIID-WBVHZDCISA-N 370.405 2.406 0 40 FEAB biogenic COc1ccccc1NC(=O)CSc1nc(=O)n2ccc(C)cc2n1 4503815 LSWJUGKFVRTJGX-UHFFFAOYSA-N 356.407 2.137 0 40 FEAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 7985478 FYUHUBFKDWASGH-UHFFFAOYSA-N 363.732 2.444 0 40 FEAB COC(=O)c1cccc(COC(=O)c2ccc(S(=O)(=O)O)cc2)c1 8040504 NNUAKMVLNPKEIW-UHFFFAOYSA-N 350.348 2.077 0 40 FEAB O=C(NCc1ccco1)[C@@H]1CCCN1CCC(=O)N1CCc2ccccc21 26135014 KKUHKZLHVLMMBK-IBGZPJMESA-N 367.449 2.340 0 40 FEAB CC(C)OCCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8499974 AJISOWBDSROYGK-UHFFFAOYSA-N 356.488 2.164 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)NCCC1=CCCCC1 12506916 QGOKCFJGCSGEPW-UHFFFAOYSA-N 361.467 2.447 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCCC2=O)cc1 57725766 SGFXYGFZPAPFDF-UHFFFAOYSA-N 351.406 2.490 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc2ccccc2s1 10023778 ORXQYKCAWAMVIW-YPMHNXCESA-N 350.465 2.395 0 40 FEAB C[C@H](Cc1c(F)cccc1F)NC(=O)NCC(=O)NCc1ccco1 58174015 DTSGEMOGTPRKRB-LLVKDONJSA-N 351.353 2.104 0 40 FEAB CNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN(c2ncccn2)C1 58203293 DVMFUYBAPCOCRL-LBPRGKRZSA-N 373.844 2.345 0 40 FEAB COCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O 2355322 VFVVYLWTKNZBIF-UHFFFAOYSA-N 352.390 2.249 0 40 FEAB CN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 23484285 DWRXHRJZYMVWLX-UHFFFAOYSA-N 362.426 2.420 0 40 FEAB COc1cc(OC)c(C2=CCN(C(=O)c3cnn(C)c3)CC2)c(OC)c1 11918862 XSJYPFQBMODFBL-UHFFFAOYSA-N 357.410 2.375 0 40 FEAB NC(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1 2643903 UVFYVYWPCBVRRH-UHFFFAOYSA-N 367.243 2.136 0 40 FEAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCCNC3=O)c12 46767620 ZMVXRJFPAPSMPJ-CQSZACIVSA-N 356.426 2.451 0 40 FEAB COc1ccccc1NC(=O)C[C@H]1C(=O)OCCN1Cc1ccccc1 54672212 HFQKTTZDAWPMHX-KRWDZBQOSA-N 354.406 2.451 0 40 FEAB Cc1cccn2cc(COC(=O)CCN3C(=O)c4ccccc4C3=O)nc12 12602631 PKNXKKIOKURVLW-UHFFFAOYSA-N 363.373 2.372 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 48234395 CYZBCZDQPLLCAU-UHFFFAOYSA-N 370.453 2.494 0 40 FEAB CC(=O)Nc1cc(NC(=O)Cn2c(=O)cnc3ccccc32)ccc1F 12774960 CPAAGOWLTLOSJE-UHFFFAOYSA-N 354.341 2.133 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)nc2n1 3355407 MNQNQOQSOBNNRY-UHFFFAOYSA-N 361.446 2.039 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3551172 PCTSSWJEPJNKRD-UHFFFAOYSA-N 373.430 2.226 0 40 FEAB CN1CCN(CCCNC(=O)CCCOc2ccc(Cl)cc2)CC1 22933920 DGDJRZQSOAOXNI-UHFFFAOYSA-N 353.894 2.253 0 40 FEAB COCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 12984806 CJALTXMURWSFQE-ZDUSSCGKSA-N 362.451 2.314 0 40 FEAB CC[S@](=O)c1ccccc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 12976776 VRMPEOUNQDAGPH-IVCQMTBJSA-N 366.527 2.291 0 40 FEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 12918469 DLSOZCGLMYHSBJ-OQIJWPOYSA-N 355.434 2.393 0 40 FEAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3C[C@@H](C)C[C@@H](C)C3)NC2=O)cc1 13685069 BIYLAXXTVMHDRX-VBQJREDUSA-N 372.469 2.246 0 40 FEAB CCCCNC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1 9340492 BSPAPYZBSHEQKO-UHFFFAOYSA-N 363.458 2.078 0 40 FEAB CNC(=O)[C@H](C)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 9367821 MFGZTYNDJAKLDN-AWEZNQCLSA-N 353.488 2.106 0 40 FEAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCCC1 5398044 YPSRCMVOXJMKAD-UHFFFAOYSA-N 362.227 2.295 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 14188465 ZUFUENMJZTUDDR-HNNXBMFYSA-N 362.332 2.442 0 40 FEAB CCOC(=O)CCCNC(=O)CN1CCC(c2nc3ccccc3o2)CC1 6552277 WXUNYPBPGMBDMN-UHFFFAOYSA-N 373.453 2.467 0 40 FEAB O=C(COc1ccc(Br)cc1F)NCCCN1CCCC1=O 27478264 LCTLQSLKIHIHMP-UHFFFAOYSA-N 373.222 2.096 0 40 FEAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(c2ncccn2)C1 9485601 JSFJHWAXBYXNOR-OAHLLOKOSA-N 364.409 2.059 0 40 FEAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N1CCc2ccccc21 5993460 RLSWECIUCNDRCV-MRVPVSSYSA-N 357.361 2.081 0 40 FEAB CCCc1c(COC)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O 22448536 GXSMBLNUDGPBCZ-UHFFFAOYSA-N 372.469 2.204 0 40 FEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 7736839 VEUPKHQBGJBABI-VOJFVSQTSA-N 374.466 2.393 0 40 FEAB Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(N2CCOCC2)=NC1=O 7883118 WGARONCQWRDFCN-CYBMUJFWSA-N 367.858 2.307 0 40 FEAB Cc1ccc(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1 16313250 CKHMZKAURFKWAI-UHFFFAOYSA-N 364.833 2.346 0 40 FEAB Cc1cc(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)no1 8326265 RFEARUXSEOXOKC-SECBINFHSA-N 355.445 2.156 0 40 FEAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709826 XODSXEPZINPBSS-UHFFFAOYSA-N 366.421 2.009 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCc2nc(N)c3ccccc3n2)c1C 8721039 LZWMUNSMSKLSDW-UHFFFAOYSA-N 354.366 2.301 0 40 FEAB CSc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 8751146 LPTRBJMBTUZNHG-UHFFFAOYSA-N 355.419 2.441 0 40 FEAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)CN1CCSC1=O 8919179 VKLQYRKEPXQWSA-UHFFFAOYSA-N 361.467 2.273 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 306136930 QHAHPLXIOSZUIY-LAUBAEHRSA-N 370.497 2.429 0 40 FEAB CC(C)[C@@H](C(=O)N[C@H]1CCCCNC1=O)n1cnc2cc(F)c(F)cc21 95957127 BLBBADHGXKFEBL-BBRMVZONSA-N 364.396 2.297 0 40 FEAB O=C(c1n[nH]cc1Br)N1CCN(Cc2cccc(F)c2)CC1 28234618 PLVTXOMQUVGCHD-UHFFFAOYSA-N 367.222 2.269 0 40 FEAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1Cl 33794555 XLAMQMNGAUGPGW-UHFFFAOYSA-N 362.879 2.323 0 40 FEAB COc1ccc(S(=O)(=O)c2cnc(N3CCC[C@H](C)C3)nc2N)cc1 71772027 PZUHHZCCFFQNTL-LBPRGKRZSA-N 362.455 2.137 0 40 FEAB CCCCNc1ccc(S(=O)(=O)NCCCOCC)cc1C(=O)O 217640225 DWVAZDFOSPVHFR-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217640330 QBPZRYDYWQCWPL-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1 72375975 PCNVCDUYKUJHSV-CQSZACIVSA-N 361.471 2.371 0 40 FEAB O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1ccccc1C(F)(F)F 33776326 OJXAKIMIEUVONV-UHFFFAOYSA-N 365.311 2.399 0 40 FEAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 77099801 WJQVTEKDYFLREI-GFCCVEGCSA-N 373.418 2.368 0 40 FEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)C)s2)cc1 223653288 RZUOGQRIYXFHGZ-UHFFFAOYSA-N 354.457 2.176 0 40 FEAB CCN(C(=O)[C@H](C)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 40005342 AOBXGDRWZKUNFU-STQMWFEESA-N 358.891 2.484 0 40 FEAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc4ccccc4n3)CCN12 85436227 UJCBHCJSKQYWHQ-LJQANCHMSA-N 366.465 2.336 0 40 FEAB biogenic,in-vitro Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC[C@@H]2CO)CC1 96099748 YVXSYWFQYRFOBF-MRXNPFEDSA-N 372.918 2.258 0 40 FEAB Cn1ccnc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 579926733 GMUFJEICUPKENG-GFCCVEGCSA-N 366.343 2.426 0 40 FEAB CO[C@@H]1CCN(C(=O)c2occc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96218186 KCUZRNNOBWYWSD-RCCFBDPRSA-N 355.438 2.345 0 40 FEAB Cc1ccccc1CC(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 248134794 CCLVIRJBCWNNNY-KRWDZBQOSA-N 353.422 2.167 0 40 FEAB Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCc3cccnc3)C2)no1 247896217 HFNBKNURJMDEJC-KRWDZBQOSA-N 365.437 2.128 0 40 FEAB O=C(c1ccncn1)N1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 247865840 OMYISPKECWVKCV-SFHVURJKSA-N 370.453 2.309 0 40 FEAB Cc1cc([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)nc(C)n1 257229213 FXFCMXZEPNYQBF-GOSISDBHSA-N 357.458 2.287 0 40 FEAB Cc1nn(C)cc1CN1CCc2c(O)nc(N3CCC[C@@H](C)C3)nc2C1 257261549 LHUOUUPWRWEBIG-CYBMUJFWSA-N 356.474 2.019 0 40 FEAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(Cl)c1)C2 253381074 COWMEEAVRUTKKO-ZDUSSCGKSA-N 357.859 2.006 0 40 FEAB COCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 585137639 LRQRHTIIIZMGDJ-JHJVBQTASA-N 372.391 2.253 0 40 FEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCN(c3nc(C)ns3)CC2)n1 608199158 SILDZIKPJDVPFG-AWEZNQCLSA-N 362.503 2.350 0 40 FEAB Cc1ncsc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257292148 QKEXKJRJDAMXBD-GFCCVEGCSA-N 352.485 2.123 0 40 FEAB Cc1ccc2nc(O)cc(C(=O)N3CCC[C@](O)(CN(C)C)CC3)c2c1 257273584 NHGSOVLSFZIKFZ-HXUWFJFHSA-N 357.454 2.168 0 40 FEAB Cn1cncc1-c1nccnc1C[C@@H]1CCCN(C(=O)c2ccccn2)C1 257280786 OMLOWSHWQCEUPL-HNNXBMFYSA-N 362.437 2.367 0 40 FEAB COc1ccccc1CN1CCN(c2nnc(-c3ccc[nH]3)n2C)CC1 283597749 UHIMDOHOAYGULQ-UHFFFAOYSA-N 352.442 2.141 0 40 FEAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cnc(CC(C)C)nc2)C1 626547344 YBJFCEFBFREZLR-IXDOHACOSA-N 361.490 2.438 0 40 FEAB COC[C@@]1(C(=O)O)CCN(C(=O)NCCc2c(C)oc3ccccc23)C1 635514692 LABJXLZGQPMRAP-LJQANCHMSA-N 360.410 2.416 0 40 FEAB CCSCc1ccccc1C(=O)N1CCN(c2nnc(C)n2C)CC1 603140015 SFXISRRQTAAOLO-UHFFFAOYSA-N 359.499 2.339 0 40 FEAB COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)ncn1 680863058 SBRHEIDOMBMIKO-HZPDHXFCSA-N 356.401 2.077 0 40 FEAB CCN1C[C@@H](C(=O)N2CCc3cc(OC)ccc32)[C@H](c2cn(C)cn2)C1 1614996139 ZWUODDAZPZZNHJ-IAGOWNOFSA-N 354.454 2.053 0 40 FEAB Cc1nc2ccccn2c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377409 PTECOHVSBFAEHE-UHFFFAOYSA-N 373.409 2.080 0 40 FEAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575402463 APIBZVBWGVNMRF-MRXNPFEDSA-N 360.483 2.233 0 40 FEAB OCCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 585273579 WTHJXIZZULTIDM-OAQYLSRUSA-N 357.450 2.464 0 40 FEAB CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585290745 WOZZZKBXYYIIJN-DKFQHHCZSA-N 365.499 2.341 0 40 FEAB Cc1c(O)ccc2c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)oc12 30145721 YXNUUNXEOSWVQA-UHFFFAOYSA-N 368.389 2.358 0 40 FEAB O=C(CCN1C(=O)CCC1=O)NCCOc1cccc(Cl)c1Cl 55731915 JYHSURALDSDNNI-UHFFFAOYSA-N 359.209 2.028 0 40 FEAB Cc1cncc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615159205 OTKOIVWCSUGRHU-NRFANRHFSA-N 365.433 2.428 0 40 FEAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 5393533 FQOJSLBXORXPIR-OHQAAIJDSA-N 370.449 2.257 0 40 FEAB Cc1cc(C)n(CCC(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)n1 12089249 NTTVVZMRVBTXET-FQEVSTJZSA-N 367.453 2.064 0 40 FEAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1scnc1C)CC3 13226789 VUCDPUVCUSPOBP-UHFFFAOYSA-N 360.464 2.230 0 40 FEAB CC(C)c1nn2c(=O)cc(COC(=O)COc3ccccc3)nc2s1 15733984 PYBDMICUYJHFFU-UHFFFAOYSA-N 359.407 2.397 0 40 FEAB Cn1c(=O)c2[nH]c(SCc3cccc(C(F)(F)F)c3)nc2n(C)c1=O 16363711 YJIIVWCEFZODSN-UHFFFAOYSA-N 370.356 2.271 0 40 FEAB Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccncc3)n(N)c2=S)c1 16778131 OIUOHKYVKCEAOW-UHFFFAOYSA-N 354.439 2.445 0 40 FEAB Cc1cnc(C(=O)N2CC[C@@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cn1 19238823 DMVFGMPGKXYAIS-GFCCVEGCSA-N 367.434 2.227 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccccc1F 19349830 BHQJIRDCBZCCEK-HNNXBMFYSA-N 352.431 2.204 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19577638 ZMIBZYFBZYLWTR-RISCZKNCSA-N 358.417 2.406 0 40 FEAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@@H](C2)N1C(=O)CCN 19585188 FZJODZHBADYZGP-GOEBONIOSA-N 366.469 2.223 0 40 FEAB CCC[C@@H](C)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311395 BYDNNYXKCKCHOW-MRVPVSSYSA-N 351.428 2.063 0 40 FEAB Cc1ccc(CSc2nnc(NC(=O)C3=NNC(=O)CC3)s2)cc1 6084373 KOEKEKKZMRRUNF-UHFFFAOYSA-N 361.452 2.343 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888864418 MPMFOUJIDNALPW-DOTOQJQBSA-N 353.422 2.407 0 40 FEAB CCS(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888869827 GXYGELSSLNISOL-HUUCEWRRSA-N 362.499 2.335 0 40 FEAB Cc1nc(C2CCC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888897574 ZSWZRMWFZYSHLE-UHFFFAOYSA-N 364.457 2.056 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncnc4c2ncn4C)C3)n1 1888904026 STGWTRGPOTYTIL-IFXJQAMLSA-N 365.441 2.147 0 40 FEAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1 25558099 VULUASQIDKQSHH-UHFFFAOYSA-N 360.360 2.367 0 40 FEAB CC(C)(N)C(=O)N1CCC[C@H](c2cccc(-c3cnn4cccnc34)n2)C1 2037844237 QBZIMWFKRNVDJD-AWEZNQCLSA-N 364.453 2.235 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@]1(C)CC=CCC1)C2 1565555452 IBDSLYBCNOOILJ-RTWAWAEBSA-N 368.481 2.078 0 40 FEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccc(F)cc2)n1 7419806 OYLNUXVCCXUJAX-UHFFFAOYSA-N 355.373 2.147 0 40 FEAB COc1ccccc1CCNC(=O)Cn1cnc(-c2ccccc2)cc1=O 13806454 YHKQKJZUCYWHPN-UHFFFAOYSA-N 363.417 2.278 0 40 FEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)CC(C)C)C2)n(C(C)C)n1 2332241487 YWOJRASFZYPQJV-RRFJBIMHSA-N 352.479 2.165 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2F)C1 24381388 HTFLKZIAZPVWGN-AWEZNQCLSA-N 370.380 2.266 0 40 FEAB CCOC(=O)c1c(O)c2cnc(SC)nc2n(CCC(C)C)c1=O 100227156 IEISPQPIXMLLKI-UHFFFAOYSA-N 351.428 2.442 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)NCCc3ccccc3)CC2)C[C@@H](C)O1 31101176 UHDFIFPSMGNMHZ-CALCHBBNSA-N 373.497 2.287 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1 31313825 RNCASRFRNRNNQX-UHFFFAOYSA-N 359.451 2.015 0 40 FEAB COCCn1c(SCC(=O)Nc2ccccc2)nc2ncccc2c1=O 31616026 YDLWWHROQNCJGL-UHFFFAOYSA-N 370.434 2.169 0 40 FEAB Cc1cccc(C)c1-n1nnnc1C1(N2CCN(N=O)CC2)CCCC1 20789974 APFALUBNEFASFU-UHFFFAOYSA-N 355.446 2.347 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32963872 IMYCRKPOYBKGRL-MRXNPFEDSA-N 370.384 2.388 0 40 FEAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 102773166 RTZBSGKXRRUKJJ-VHSXEESVSA-N 352.359 2.239 0 40 FEAB Cc1cc2n(C[C@H](O)COCc3ccco3)c(=O)c3ccccc3n2n1 22966210 MZLNUFMLXDVJGH-AWEZNQCLSA-N 353.378 2.128 0 40 FEAB Cc1ccc(-n2nnnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 54058941 YNFLXXLRGBKPAI-MRXNPFEDSA-N 368.485 2.446 0 40 FEAB Cc1cccnc1CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78509113 NDBYWUJKASJEOX-SOLBZPMBSA-N 369.465 2.372 0 40 FEAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)NC(N)=O 3515724 HWTJEIPNPAKWIT-YFKPBYRVSA-N 366.009 2.174 0 40 FEAB Cc1noc(-c2ccc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc2)n1 25289391 RKBXFRHHTVJKDI-UHFFFAOYSA-N 356.426 2.422 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 4223269 NNZSMORANYXNFD-UHFFFAOYSA-N 373.203 2.488 0 40 FEAB CN1CCN(c2ncnc3c2nnn3Cc2cccc3ccccc23)CC1 1425167 ZHRYDCSAWUVHSG-UHFFFAOYSA-N 359.437 2.175 0 40 FEAB CC[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 4966882 UGCNAUKHHGVTLZ-MRXNPFEDSA-N 372.421 2.053 0 40 FEAB CCSCc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 56531809 JDFZGGJFXBBRCS-OAHLLOKOSA-N 370.540 2.341 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]4[C@@H]4[C@@H]([C@@H]53)[C@]41C)C2 104291237 GITSGAOIQHAXTO-UHGBXBABSA-N 353.466 2.436 0 40 FEAB CC[C@](C)(CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C)[C@H](C)O 107535079 DZYXWHLXDCDRCX-JNAXZKDPSA-N 364.486 2.363 0 40 FEAB CCN1CCN(C(=O)CC2CCN(C[C@](C)(O)c3ccccc3)CC2)CC1 108873160 DCUVZMYYJHWSIE-QFIPXVFZSA-N 373.541 2.160 0 40 FEAB O=C(COc1ccccc1)OCc1cc(=O)n2nc(C3CC3)sc2n1 8605410 FWCOMZNXKIUTJD-UHFFFAOYSA-N 357.391 2.151 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)C2(c3cccc(F)c3)CCC2)C[C@H](C)O1 58264609 LRGRTADZBZCWMJ-GJZGRUSLSA-N 362.445 2.390 0 40 FEAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1C 9919341 UFHAVFVAKNVZNO-CYBMUJFWSA-N 362.451 2.450 0 40 FEAB C[C@@]12[C@@H](O)O[C@@H]3CC[C@H]4[C@@H]3[C@@H]1[C@H]1[C@H]3[C@@H]2[C@@H]2CC[C@H]5O[C@H](O)[C@](C)([C@@H]3[C@@H]25)[C@@H]14 104294667 RUNWBLQMNLXFAN-NTSHQZSMSA-N 358.478 2.237 0 40 FEAB O=C(CSc1nc(C2CC2)n[nH]1)N1CCN(c2ccc(F)cc2)CC1 11275486 YIILGYAZIBMYTQ-UHFFFAOYSA-N 361.446 2.262 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3cccc(F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11859905 RNIOLUYSZZRASJ-BLDNINTCSA-N 367.373 2.161 0 40 FEAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)CCC[C@H]1C 2619976 JTVXAKBJXWAESZ-DYEKYZERSA-N 360.487 2.087 0 40 FEAB CCCNC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 12707431 IRLMDNVESLGOOA-UHFFFAOYSA-N 360.483 2.080 0 40 FEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(F)c1 100128300 HLXFDOZDBXXQLU-HOTGVXAUSA-N 358.417 2.012 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 12764461 NKVNXCKYEFGXSA-UHFFFAOYSA-N 368.368 2.441 0 40 FEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc(F)c(F)c1)CS2 3366883 PQGSSDAVBVQKGN-MLGOLLRUSA-N 355.362 2.145 0 40 FEAB COc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102087904 GJIWHVVCMDEGIT-OOXJRHCVSA-N 366.417 2.075 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 48355196 KOGSCFRURHTFHJ-OAHLLOKOSA-N 369.425 2.188 0 40 FEAB CC(C)[C@@H](C(=O)NC[C@@H]1COCCO1)n1cnc2cc(F)c(F)cc21 84409218 UBCQWSIBTPJODB-BZNIZROVSA-N 353.369 2.043 0 40 FEAB COc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1 3443283 BGWISBNJZLKWRQ-UHFFFAOYSA-N 363.410 2.126 0 40 FEAB aggregator C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 3460193 CREAZIFBKYBJJO-LJQANCHMSA-N 371.824 2.423 0 40 FEAB CCOc1ccc(OC[C@@H](O)CN2C(=O)CCN([C@@H](C)CC)C2=O)cc1 12943782 CDYWYMHZDKKUNG-GJZGRUSLSA-N 364.442 2.278 0 40 FEAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 3600864 NEAHQRSBMDLARX-FQEVSTJZSA-N 355.438 2.029 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC1(C(=O)O)CCCC1 13254836 ICGCOFRQVGSNSD-UHFFFAOYSA-N 368.455 2.219 0 40 FEAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)NCc1ccco1)S2 9236484 ZBYDWVZZGTUGKG-GJZGRUSLSA-N 355.423 2.255 0 40 FEAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1 9336761 OFPCFJMWGAXQJG-UHFFFAOYSA-N 350.374 2.344 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20048330 BQODXDLBQBFUFE-LBPRGKRZSA-N 359.879 2.105 0 40 FEAB CCCCn1c(N)c(N(CCC)C(=O)c2ccc(Cl)o2)c(=O)[nH]c1=O 14020279 NKKVMNGUVSIDIQ-UHFFFAOYSA-N 368.821 2.222 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn3ccccc3n2)C1=O 9338023 UIXUKMXOVCRWKJ-LJQANCHMSA-N 364.361 2.030 0 40 FEAB Cn1c(=O)n(C)c2cc([C@H]3CC(=O)Nc4ccc5nsnc5c43)ccc21 96223678 OMPZXAQBBMQSNM-SNVBAGLBSA-N 365.418 2.356 0 40 FEAB Cc1ccc2nc3c(cc(C(=O)NCc4cccs4)n3C)c(=O)n2c1 96347344 UDMOQBZOORSDDA-UHFFFAOYSA-N 352.419 2.486 0 40 FEAB CC(C)CCNc1nc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)cs1 9514217 LEFOCXPLKXADOO-JTQLQIEISA-N 368.459 2.135 0 40 FEAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCNC1=O 7228805 MNVFHYNZWFZLKK-VIFPVBQESA-N 357.395 2.250 0 40 FEAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15623806 ODGDLURDLVPJBV-APHBMKBZSA-N 360.841 2.338 0 40 FEAB CC(=O)NCCC(=O)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1 7778296 RFJVCMTUZWWJTH-UHFFFAOYSA-N 353.835 2.215 0 40 FEAB Cc1noc(C)c1CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 7780433 ZZZZZGSGBLOQGA-GOSISDBHSA-N 357.366 2.073 0 40 FEAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OC)c(OC)c1 8276462 FFUGCWBQGSXRBZ-UHFFFAOYSA-N 363.435 2.427 0 40 FEAB NC(=O)c1ccsc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 8230699 SANBZIIRNGNUKK-UHFFFAOYSA-N 365.465 2.424 0 40 FEAB CCC[C@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1C)C(=O)OC 69461061 KLGSOAVBOCZXKJ-INIZCTEOSA-N 359.444 2.022 0 40 FEAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 21005383 OMKFDONZEWDQQP-UHFFFAOYSA-N 371.868 2.414 0 40 FEAB O=S(=O)(Nc1nc2ccccn2n1)c1ccccc1OC(F)(F)F 95944093 SSTSEFPXNBUNHO-UHFFFAOYSA-N 358.301 2.429 0 40 FEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1 20013251 FGVDXZCBKZNXKB-UHFFFAOYSA-N 368.405 2.408 0 40 FEAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 408708053 GIKNLFUSJVNPSV-UHFFFAOYSA-N 365.433 2.396 0 40 FEAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC2CCCC2)c1 217445362 DQWKJWKTBJFYTL-CQSZACIVSA-N 368.455 2.197 0 40 FEAB COc1ccc(N2Cc3nn(Cc4ccccc4F)c(=O)n3C2=O)cc1 1547200910 AXDXITVTALFHTM-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB COC(=O)c1ccc(NC(=O)COc2ccc(C)cc2-n2cnnc2)cc1 32646640 OASCMQOXIMZJIJ-UHFFFAOYSA-N 366.377 2.380 0 40 FEAB COc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)c1 71283933 YMQWAQWRAWYOKO-UHFFFAOYSA-N 368.437 2.166 0 40 FEAB O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-n2ccnc2)C1 72350589 DUOJGMJHWNCPRJ-INIZCTEOSA-N 363.421 2.447 0 40 FEAB O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 33584061 LCYSZGKKPCMNIQ-PCRWRXJSSA-N 374.418 2.189 0 40 FEAB Cn1ccnc1CN1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 77265607 AQTAMRAAKGSHAM-CYBMUJFWSA-N 356.348 2.114 0 40 FEAB biogenic,in-vitro COC(=O)c1ccccc1NC(=O)COc1ccc(C(=O)O)cc1OC 217730204 BBIWZRJLOCRENK-UHFFFAOYSA-N 359.334 2.198 0 40 FEAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223021210 WORYZWZAZFLWQL-UHFFFAOYSA-N 358.416 2.022 0 40 FEAB CN1CCN(c2ccc(N)cc2NC(=O)C(Cl)(Cl)Cl)CC1 226258385 DPWWFTSSWSHZRP-UHFFFAOYSA-N 351.665 2.329 0 40 FEAB COC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222406346 LOUQOKXYCMZKJV-UHFFFAOYSA-N 362.407 2.121 0 40 FEAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccc(F)cc1 243011169 HWAUJJAXCFQEEP-UHFFFAOYSA-N 354.378 2.365 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1nccn1C 248130446 MYBCIJJPTOOJRI-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB O=S(=O)(NCc1cnc([C@H]2CCCCO2)nc1)c1ccccc1F 257265726 MAAOZGUSBAXZRB-CQSZACIVSA-N 351.403 2.336 0 40 FEAB CC(=O)NCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257327599 XBZWJDDJDNQRLF-QWPXSNKBSA-N 369.509 2.208 0 40 FEAB Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 463781167 HMMXTUQZGUVDJC-UHFFFAOYSA-N 370.358 2.264 0 40 FEAB Cn1cc(-c2noc(C[C@]3(O)CCCN(Cc4ccccc4)C3)n2)cn1 643838463 KFPPHJYPWVQVJZ-LJQANCHMSA-N 353.426 2.040 0 40 FEAB Brc1cnc(OC[C@@H]2CCCN(c3nncs3)C2)nc1 1775996054 SGTXRRPVHQNENR-SECBINFHSA-N 356.249 2.386 0 40 FEAB Cc1nc(C)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)s1 390828842 BXXSCTWEJWVSLZ-UHFFFAOYSA-N 369.450 2.342 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C)nn2)[C@H]1Cc1ccccc1 585275356 AVWTVWVRXSXEBK-HKUYNNGSSA-N 352.438 2.137 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)c1ccco1 585112587 TWHRZOUSWDZCFR-MRXNPFEDSA-N 351.410 2.248 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1cc(C)cc(C)c1)C2 585102869 LMDXHHOHMXUQGI-GOSISDBHSA-N 366.527 2.224 0 40 FEAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)Cc3c(C)noc3C)[C@H]2O)cc1 585284458 IRPHABBQPQWZOD-XFQXTVEOSA-N 358.438 2.477 0 40 FEAB O=S1(=O)CCN(Cc2ccc(-c3ccc(OCCF)cn3)cc2)CC1 630052411 VZMYUFLWHOAWAA-UHFFFAOYSA-N 364.442 2.327 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1cccs1)C1CC1 75155341 VTNZNMWMCQSDRL-IBGZPJMESA-N 362.495 2.469 0 40 FEAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc2nc[nH]c2c1F 1567422551 GTFCDRBTJRSORM-KRWDZBQOSA-N 352.369 2.324 0 40 FEAB CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1nccs1 5414259 NPTLQCBTMBAMBD-KBPBESRZSA-N 366.487 2.272 0 40 FEAB biogenic,in-vitro CC1=C(C(N)=O)[C@@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 13123521 IPCFXFGBLNKHLA-QGZVFWFLSA-N 362.393 2.026 0 40 FEAB Cc1cc(C)cc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 13700301 MQSKTDCMRNXARP-UHFFFAOYSA-N 351.414 2.095 0 40 FEAB CC(=O)N1CCc2nnc(C3CCN(Cc4ccc(F)cc4)CC3)n2CC1 19708973 NYQFRKSAZKSQCJ-UHFFFAOYSA-N 371.460 2.201 0 40 FEAB Cc1cnn(CC2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)C2)c1 1848633536 VTSKWHJDEMDVNM-SFHVURJKSA-N 366.465 2.320 0 40 FEAB COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)NC(C)C 10555605 RMVLLBYWKWNHNV-UHFFFAOYSA-N 369.468 2.399 0 40 FEAB Cc1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c(C)c1 1889122677 IEIZDWUXPVSVQV-UHFFFAOYSA-N 367.497 2.252 0 40 FEAB CCN=c1nc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc(C)[nH]1 1889128323 UOQFKKQYYSETKI-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB COC(=O)c1sccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 14124903 HDMROMLNSAFPHQ-UHFFFAOYSA-N 353.421 2.332 0 40 FEAB O=C(c1ccncc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 23879385 JVCVMVGBAACWBV-UHFFFAOYSA-N 355.423 2.151 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)cc1 24051244 SOHXUPHWECPLDP-LLVKDONJSA-N 357.428 2.269 0 40 FEAB CNC(=O)NC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 25664947 RQJHGDPCEYVJRH-UGSOOPFHSA-N 369.421 2.305 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)c1 2037912647 SKRWGKVHROQSSR-LJQANCHMSA-N 361.417 2.153 0 40 FEAB O=C(Cc1ccc(F)cn1)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1614930235 VCVLKTYHOOAFRI-QGZVFWFLSA-N 355.413 2.009 0 40 FEAB COc1ccccc1OCC(=O)Nn1c(=S)[nH]c2ccccc2c1=O 2970296 XELYJZHSFVYIRC-UHFFFAOYSA-N 357.391 2.217 0 40 FEAB O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)c1c[nH]c2ccccc12 4497361 QAWJHDAEEUANID-CYBMUJFWSA-N 365.364 2.411 0 40 FEAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21 4479042 DODNLZFANRDWBO-UHFFFAOYSA-N 373.416 2.207 0 40 FEAB O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1ccc2c(c1)OCCO2 13806256 ZBHKZKPHNXMYBN-UHFFFAOYSA-N 363.373 2.320 0 40 FEAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccn3)cn2)cc1 13809197 ASCPGVDCNOBZLH-UHFFFAOYSA-N 350.378 2.343 0 40 FEAB Cc1ccc(CC(=O)N2CC[C@H](c3nn(CCN)c4ncccc34)C2)cc1 19209267 OEJNFAGBFPUBBN-KRWDZBQOSA-N 363.465 2.257 0 40 FEAB O=C(O)CCC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCCC3)c[nH]c2c1 31818827 OYPRNBJAKQSEIQ-QGZVFWFLSA-N 359.382 2.193 0 40 FEAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]32)c1 101277783 KHHFFONFXRHVRC-HOTGVXAUSA-N 370.340 2.341 0 40 FEAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 32869263 VYUBWWMDDHAIOD-QGZVFWFLSA-N 350.374 2.299 0 40 FEAB C[S@](=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 21647747 RZRDKLVCZKCITH-AREMUKBSSA-N 370.430 2.217 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 103798531 NKYQIXDVGBMCNG-CLROSIBMSA-N 355.369 2.151 0 40 FEAB O=C(CN1CCN(Cc2cccc3cccnc23)CC1)N1CCCCC1 22516490 YUHFZXYZSMDTIL-UHFFFAOYSA-N 352.482 2.365 0 40 FEAB CC(C)n1ncc2cc(C(=O)O[C@H](C)C(=O)NCc3ccco3)cnc21 22887176 MMHGDEOHJWWMBR-GFCCVEGCSA-N 356.382 2.467 0 40 FEAB Cc1nc(CC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cs1 23327228 KLMBKQWFHIGRJJ-UHFFFAOYSA-N 356.411 2.248 0 40 FEAB O=C(C1CCN(c2cnccn2)CC1)N1CCN(c2ccccc2F)CC1 33763398 WRBGAADHMROUQR-UHFFFAOYSA-N 369.444 2.181 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1NS(C)(=O)=O 24382306 HRAQRCVLHPCDDU-UHFFFAOYSA-N 372.450 2.146 0 40 FEAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 55408464 BDCXZQFNWNLUNY-ZWKOTPCHSA-N 362.495 2.224 0 40 FEAB CCNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 6534958 KJXOUSOYLNXVQO-UHFFFAOYSA-N 370.434 2.279 0 40 FEAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccc3)=C2)cc1 6800268 RTOLQGOXNBZKEM-UHFFFAOYSA-N 369.446 2.175 0 40 FEAB Cc1ccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3ccccc32)cc1 7285122 PMLDSWHXWUDZBP-UHFFFAOYSA-N 367.405 2.390 0 40 FEAB Cc1cc(=O)oc2cc(NC(=O)N3CCN(C(=O)C4CC4)CC3)ccc12 57958621 SVPPRRAIFVBWKP-UHFFFAOYSA-N 355.394 2.188 0 40 FEAB CCCCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)n[nH]c1=O 57994654 XOQQQVAVLCHARY-CQSZACIVSA-N 363.487 2.200 0 40 FEAB Cc1ccc(OCCN(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102878783 YRPBOGHNYKHQDN-IAGOWNOFSA-N 358.438 2.007 0 40 FEAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)cc1 101126921 ONOVZUNPHDZFBJ-PDOICOKGSA-N 362.422 2.161 0 40 FEAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ccccc1 9378603 AOMDHGIHYSHKDU-LBPRGKRZSA-N 362.407 2.242 0 40 FEAB COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(C)=O)cc1 100395361 FVFJOIYTKDVNGT-QMROVXIMSA-N 366.417 2.059 0 40 FEAB C[C@@H](O)c1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 84651534 UNCFANUJQYWXPF-CYBMUJFWSA-N 356.447 2.495 0 40 FEAB O=C(CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1)NCC1CC1 36398109 PPWJKCVTGHQGCV-UHFFFAOYSA-N 368.455 2.390 0 40 FEAB COc1cccc(N2CCN(CC(=O)NC3Cc4ccccc4C3)CC2)c1 54263573 ODEPWMWNRRUBKQ-UHFFFAOYSA-N 365.477 2.101 0 40 FEAB O=C(CNC(=O)c1cccc2c1OCCO2)Nc1ccc(F)c(F)c1F 60135900 VUMPTZMNFSUEAJ-UHFFFAOYSA-N 366.295 2.244 0 40 FEAB COc1ccc(CNC(=O)c2ccc(Cn3cncn3)cc2)cc1OC 11610533 VRQYIYFZJLJLKC-UHFFFAOYSA-N 352.394 2.274 0 40 FEAB COC(=O)c1sc2ncn(CC(=O)OC3CCCC3)c(=O)c2c1C 2887979 MFIVFXBKFRURAE-UHFFFAOYSA-N 350.396 2.039 0 40 FEAB Cc1ccccc1CN(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12773335 BUFXCGCZEHDSOS-UHFFFAOYSA-N 351.406 2.047 0 40 FEAB COc1ccc(CNC(=O)CN2CCN(Cc3cccc(C)c3)CC2)cc1 22775974 AMPWUHHPAIHIIS-UHFFFAOYSA-N 367.493 2.438 0 40 FEAB CN(C)S(=O)(=O)c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1 48311251 IPEIKSOOIQWVOR-UHFFFAOYSA-N 364.810 2.391 0 40 FEAB Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 12916375 OKOKAXDBXLOTDY-UHFFFAOYSA-N 351.450 2.069 0 40 FEAB NS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1Cl 13062845 GNFSESCYWLPLOI-UHFFFAOYSA-N 356.806 2.099 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)C1CC1 96000365 ASBBNLCXYZGICN-KRWDZBQOSA-N 361.467 2.355 0 40 FEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 23342805 XUGGOXPWGNLGRU-LBPRGKRZSA-N 369.377 2.271 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832318 MCDPGRCGVHSCPX-HZMBPMFUSA-N 360.863 2.172 0 40 FEAB CC(=O)NCc1ccc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)s1 64582782 ZVBBVUHJRINYHC-INIZCTEOSA-N 360.435 2.371 0 40 FEAB Cn1ncc2c(N3CCCCC3)nc(N(CCO)Cc3ccccc3)nc21 4375022 CYFYQEJSARPDGB-UHFFFAOYSA-N 366.469 2.353 0 40 FEAB Cc1cc(NC(=O)[C@H]2Cc3cc(Br)ccc3C(=O)O2)no1 5244159 FDTNKQGFHNUHRE-LLVKDONJSA-N 351.156 2.466 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14124988 JGMMYGLOQPKPST-HNNXBMFYSA-N 364.449 2.102 0 40 FEAB CN(C)[C@H](CNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 14122710 VNIUCFUOUQLQRS-GOSISDBHSA-N 367.449 2.221 0 40 FEAB NS(=O)(=O)c1cc(C(=O)OCc2coc(-c3cccs3)n2)cs1 14140316 CLFDFXCYOLAQJR-UHFFFAOYSA-N 370.433 2.469 0 40 FEAB NC(=O)[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 14245484 RMNLKVSJWNCXNN-OAHLLOKOSA-N 358.266 2.267 0 40 FEAB O=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 4985360 ORBKLFYLJOLYIO-UHFFFAOYSA-N 353.209 2.333 0 40 FEAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccc2c(c1)OCO2 7063622 PRRPYSYPWQTLOV-UHFFFAOYSA-N 368.389 2.237 0 40 FEAB Cc1c(C(=O)N2CCC[C@H]([C@@H](C)O)C2)nnn1-c1ccc2ncccc2c1 95431396 IJJRBISZWAKPEQ-ZBFHGGJFSA-N 365.437 2.357 0 40 FEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 7251131 DSPJODAHAGUZCE-CYBMUJFWSA-N 366.377 2.489 0 40 FEAB C[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H](c2ccccc2)O1 67831193 INSQMMGXUQMZKJ-WMLDXEAASA-N 357.410 2.067 0 40 FEAB COC(=O)CCc1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)o1 7753838 PPJHZJBGDQGNGD-VMPITWQZSA-N 357.362 2.444 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(Br)cc1 7842495 KRLDKWCIJQEFTI-UHFFFAOYSA-N 357.248 2.201 0 40 FEAB O=C(NCCOc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 9691038 RNXIHLBDBMMTCE-UHFFFAOYSA-N 361.833 2.041 0 40 FEAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc2c(c1)OCCO2 8225972 RQOSKPBMXSPCMG-CYBMUJFWSA-N 369.421 2.016 0 40 FEAB Cc1cc2ncn(C[C@@H](O)COc3cccc4c3NC(=O)CO4)c2cc1C 91557171 UPWOSHBYHUJJOH-CQSZACIVSA-N 367.405 2.424 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17328055 PEUZZCRBKPZJMP-MELADBBJSA-N 354.472 2.013 0 40 FEAB CN1C(=O)C[C@H](NC(=O)CC2(O)CCCC2)[C@@H]1c1ccc(Cl)cc1 91771443 IHZHQONSSDWWOF-YOEHRIQHSA-N 350.846 2.423 0 40 FEAB COC(=O)c1cccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 9884349 ASGPESPIJZDBPA-HXUWFJFHSA-N 350.374 2.367 0 40 FEAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 18149052 RSURMRTXGBZJNJ-GASCZTMLSA-N 370.405 2.128 0 40 FEAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(=O)[nH]c(=O)[nH]2)N3)C1 18192171 KNXCZLIYKCXTLE-RMLUDKJBSA-N 374.466 2.130 0 40 FEAB COc1ccc(Br)c(S(=O)(=O)NCc2cccnc2)c1 28577627 IAJISQMSIPFWNC-UHFFFAOYSA-N 357.229 2.331 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 72360264 IARFBFSDDQYJDF-OAHLLOKOSA-N 362.397 2.086 0 40 FEAB CC(C)c1nsc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 72307810 AWAYQGIZRHTDSK-AWEZNQCLSA-N 351.520 2.185 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)Cn1ccc(C(F)(F)F)n1)OCO2 22372072 LEUYQANDVOSEAG-UHFFFAOYSA-N 355.272 2.472 0 40 FEAB COc1ccc(CNC(=O)COc2cc(C)nc(N3CCCC3)n2)cc1 21360678 WSPUURJQRPASJW-UHFFFAOYSA-N 356.426 2.089 0 40 FEAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606907 CAMYFYQVIZVBSV-CQSZACIVSA-N 356.513 2.407 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C 408618696 FBSBXSHJVVSLMY-UHFFFAOYSA-N 362.407 2.274 0 40 FEAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 553080485 LZPFHKPCMLHVFM-QZTJIDSGSA-N 362.495 2.484 0 40 FEAB CCn1nc(C)c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)c1C 72241654 ZICJZPAQBVOXTQ-MSOLQXFVSA-N 374.416 2.196 0 40 FEAB O=S(=O)(N1CCCC1)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377817 YVAROVWBGRTEPJ-HNNXBMFYSA-N 374.470 2.093 0 40 FEAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 217435073 JDIQYTNISWIJBU-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB CCn1nc(C)c(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)c1C 72241652 ZICJZPAQBVOXTQ-ROUUACIJSA-N 374.416 2.196 0 40 FEAB CC(C)(C)c1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)on1 75164215 NIYHBSZVNGJGKC-AWEZNQCLSA-N 357.410 2.338 0 40 FEAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccc(OC)cc3)nc2c1 71327518 RVPZYXUQVMUYTJ-UHFFFAOYSA-N 371.418 2.198 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)Cc3ccccc3)CC2=O)cc1C 70639287 JWKOJGLXGKLWTB-QUCCMNQESA-N 366.461 2.376 0 40 FEAB Cc1nc(Cn2cc(C(=O)Nc3nc4c(s3)CC(C)(C)CC4)nn2)no1 568227641 UBBZWLVQRRILNZ-UHFFFAOYSA-N 373.442 2.242 0 40 FEAB O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 529466173 HCPYSDDHYRUTGT-SOUVJXGZSA-N 371.405 2.265 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1 224578007 JKWZNOBHVZHRBC-UHFFFAOYSA-N 370.500 2.134 0 40 FEAB COc1ccccc1CNC(=O)CSc1nccc(N2CCCC2)n1 49399699 KUPZWLDYJHSODI-UHFFFAOYSA-N 358.467 2.494 0 40 FEAB COc1ccc(CN2CC(=O)N(Cc3ccc(OC)cc3)CC2=O)cc1 95951532 VXFOYPCCMGBBMN-UHFFFAOYSA-N 354.406 2.075 0 40 FEAB Cc1nc(C(=O)N2CC3(C2)OCC[C@H]3COCc2cccnc2)cs1 248073421 YUXSQJTZIGELOA-HNNXBMFYSA-N 359.451 2.294 0 40 FEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)n1 248007040 CHQLKDHCAURHPZ-LJQANCHMSA-N 356.470 2.382 0 40 FEAB CN1C(=O)CCC[C@@H]2CN(C(=O)CCN3CCc4ccccc43)CC[C@H]21 257199728 AAPXKUXOARFWTN-QZTJIDSGSA-N 355.482 2.299 0 40 FEAB CC(C)(O)C1CN(C(=O)NCc2cccc(COC3CCOCC3)c2)C1 548030838 HDUWGXRVQBTTCR-UHFFFAOYSA-N 362.470 2.295 0 40 FEAB Cc1ccc(-n2[nH]c(C(=O)N3CCO[C@H](CC(F)(F)F)C3)cc2=O)cc1 620783882 XUFIPZKTAMGGLD-CYBMUJFWSA-N 369.343 2.267 0 40 FEAB COc1cccc(C[C@H](NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C(=O)O)c1 630241903 CSBUZBZSSRUJKR-INDMIFKZSA-N 351.402 2.393 0 40 FEAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1c(C)cc(C)nc1O 665545818 FTEUBIJWJBFYKL-GDBMZVCRSA-N 358.442 2.405 0 40 FEAB CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2cccc(F)c2)C1 670087586 MSMAEHKBZFJCQC-MRXNPFEDSA-N 373.432 2.331 0 40 FEAB CCc1ncc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)O)C2)cn1 585287023 ZQWLDHYUYRPQRZ-NVXWUHKLSA-N 356.426 2.178 0 40 FEAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2cccnc2)no1 585094894 SPGIKVFTWMYNQJ-QGZVFWFLSA-N 353.426 2.255 0 40 FEAB COc1ccccc1[C@H](C)N(C)C(=O)CS[C@H]1CCS(=O)(=O)C1 48831497 FMQYQTGMIKVRQI-STQMWFEESA-N 357.497 2.135 0 40 FEAB Cc1nnc(C2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)s1 49365599 ZUDNLRGIFRGOOE-UHFFFAOYSA-N 360.439 2.393 0 40 FEAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)NCc1ccccc1 12920987 SFAOFJNBSYCITD-UHFFFAOYSA-N 367.449 2.359 0 40 FEAB Cn1nc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 12365126 BYILDMNTVLKNFR-AWEZNQCLSA-N 353.401 2.451 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCCCC3)nc2-c2ccco2)on1 13226200 QKGPHNXNFOIXSU-UHFFFAOYSA-N 368.393 2.479 0 40 FEAB C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 19497972 ZZNPZZLZZYARCZ-UGSOOPFHSA-N 364.449 2.423 0 40 FEAB Cc1cc(C)nc(NCCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)n1 19658512 WANNWLCOCSNQCG-ZDUSSCGKSA-N 369.425 2.278 0 40 FEAB COc1cccc(OCc2nnc(SCCN3CCOCC3)o2)c1 19823936 SXXMWJAJHGGAEJ-UHFFFAOYSA-N 351.428 2.082 0 40 FEAB O=C([C@@H]1CCOC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575607538 NRUOYLHYOJNQFA-DOMZBBRYSA-N 357.859 2.065 0 40 FEAB COc1cccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1OC 22185343 XACRDATXVWKAPV-UHFFFAOYSA-N 359.407 2.274 0 40 FEAB Cc1cc(N(C)C)nc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1889091890 COEVEASCLLNTPO-UHFFFAOYSA-N 355.490 2.265 0 40 FEAB Cn1cnc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)c1 2037989093 VECWZOMNKLATIG-HXUWFJFHSA-N 353.470 2.277 0 40 FEAB COCCCN1CCC[C@]2(CCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 2056223339 GSMNEHQIGONJQB-FQEVSTJZSA-N 362.518 2.392 0 40 FEAB CC(C)CN1C[C@@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 1565543032 HUSIYAMMYILALU-HXUWFJFHSA-N 354.454 2.341 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1OC 4272717 PAUFJLJKLLLCOQ-ZDUSSCGKSA-N 370.409 2.334 0 40 FEAB COc1cccc(CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1OC 15109163 PIBCSSCYKXIUKN-UHFFFAOYSA-N 369.421 2.466 0 40 FEAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cccnc2)C1 2055754591 GUWTZBLFRUGTIQ-FQEVSTJZSA-N 352.438 2.257 0 40 FEAB O=c1ccc(-c2ccncc2)nn1C1CN(c2cnc3ccccc3n2)C1 1775974066 KSEQFCARHRYBSF-UHFFFAOYSA-N 356.389 2.310 0 40 FEAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)/C=C/c1ccccc1)C3 208038247 UNRCFGCXMRBAHL-CSKARUKUSA-N 354.435 2.397 0 40 FEAB Cc1nc(NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c2cnn(C)c2n1 585149294 GYLABVDSLOBSQY-SECBINFHSA-N 366.351 2.000 0 40 FEAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccc3ncsc3c1)C2 606440636 KNIHQCVAPRHPGZ-CYBMUJFWSA-N 353.451 2.440 0 40 FEAB O=C(CN1CCC(Oc2ccn3nccc3n2)CC1)NC1CCCCC1 2298103495 XQRRWQJTPXYEHQ-UHFFFAOYSA-N 357.458 2.021 0 40 FEAB CCOCCCNc1nc(O)cc([C@@H]2CNC[C@H]2c2cccc(OC)c2)n1 12275385 BNSSXWHKMVBSLC-DLBZAZTESA-N 372.469 2.500 0 40 FEAB CCOC(=O)[C@H](NCc1cc(-c2ccccc2)cn2nnnc12)C(C)C 19529448 JEQMTARIPYVQQN-QGZVFWFLSA-N 353.426 2.469 0 40 FEAB CCCc1cc(=O)n2nc(NC(=O)COc3ccc(Cl)cc3)nc2[nH]1 100650760 HPERWJQPSOCXEI-UHFFFAOYSA-N 361.789 2.041 0 40 FEAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)nn12 32100606 JEFLDQXJYUNLFN-QGZVFWFLSA-N 364.453 2.008 0 40 FEAB Cc1nn(C)c2ncc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc12 32730363 GOYOKFKEXUWEBE-QGZVFWFLSA-N 355.417 2.449 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2cccs2)cc1C 32908249 KRIMFZQRUFWUOD-UHFFFAOYSA-N 366.508 2.344 0 40 FEAB CC(=O)NCCc1ccc(C(=O)CSc2nc(C)cc(N)n2)cc1F 32915348 GEUNAOJTKSKTAD-UHFFFAOYSA-N 362.430 2.160 0 40 FEAB CC(C)n1cnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1 41770210 FOZSBHBADUIMNV-UHFFFAOYSA-N 359.499 2.296 0 40 FEAB Cc1n[nH]c(C(=O)N(C)CC(=O)Nc2ccccc2)c1Br 53477808 FSUYYCYNBMUEDW-UHFFFAOYSA-N 351.204 2.191 0 40 FEAB CCC(=O)N1CCC[C@H](C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)OC)C1 83061225 LIZMDRBDLWEDQM-HFTRVMKXSA-N 360.454 2.302 0 40 FEAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(F)c1 47776782 ARFRHQVDSXMHGY-KRWDZBQOSA-N 370.490 2.292 0 40 FEAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4505310 UWHIALDBOWNFIV-ZDUSSCGKSA-N 365.904 2.174 0 40 FEAB O=C1c2ccccc2S(=O)(=O)N1Cc1cc(Cl)c2c(c1)OCO2 12511987 LOIAFIPYJAAWNQ-UHFFFAOYSA-N 351.767 2.413 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 6376455 SCUCYRRKOGWQHA-UHFFFAOYSA-N 354.472 2.201 0 40 FEAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)cc1 7092006 VQZSBSVPNBQRFB-UHFFFAOYSA-N 368.389 2.131 0 40 FEAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102084391 YTBGQGXXTYULJY-AUTURXRWSA-N 366.417 2.077 0 40 FEAB O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 107488250 HDMJRSUTGKKTRW-BZUAXINKSA-N 354.516 2.054 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 8218616 DJTWVSKYEHWLDH-LBPRGKRZSA-N 352.843 2.323 0 40 FEAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)N3CCOCC3)C3CC3)cc2c1 8772707 JYGKZNXKSAJGJW-UHFFFAOYSA-N 371.437 2.343 0 40 FEAB c1ccc2c(c1)nc1n2[C@]2(N3CCOCC3)CCC[C@@H]2[C@@H]1N1CCOCC1 35939833 DDVCADSEIQHMPX-LKUPVBHCSA-N 368.481 2.208 0 40 FEAB CCO[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 58391985 FBPJHTRMBGAPGO-GJZGRUSLSA-N 358.442 2.367 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc21 22322149 GRIPNAMYIVTOQX-UHFFFAOYSA-N 366.421 2.163 0 40 FEAB C[C@H](C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C(=O)CCC1=O 58771263 IVROGSPAYZCCON-QMTHXVAHSA-N 366.364 2.319 0 40 FEAB CCc1ccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 10910870 HJPMHBWCXOYWFA-UHFFFAOYSA-N 352.312 2.411 0 40 FEAB Cc1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)nc(C(C)C)n1 10997943 RQINYXORKLCSQC-UHFFFAOYSA-N 364.453 2.243 0 40 FEAB O=C(Nc1nncs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 11054472 PLWLRCBIBLFMRH-UHFFFAOYSA-N 371.399 2.168 0 40 FEAB Cc1nc2ncnn2c(O)c1CCC(=O)N[C@@H](C)CCc1ccccc1 36569699 VAIIJDRGEDDYBF-ZDUSSCGKSA-N 353.426 2.208 0 40 FEAB CCn1nnc2cc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)ccc21 29073152 NJCNJSGQYQQORV-MRXNPFEDSA-N 361.409 2.471 0 40 FEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)C1 3296170 RLBVHGHBWXSRPU-GJZGRUSLSA-N 358.438 2.475 0 40 FEAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1 12622830 UHUKFQOHXDSVFX-LLVKDONJSA-N 352.437 2.192 0 40 FEAB COCCn1ncc2ccc(NC(=O)Cn3nnc4ccccc43)cc21 48364494 PVPPOGQCSOTZFR-UHFFFAOYSA-N 350.382 2.066 0 40 FEAB COc1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1OC 12896608 UFUPJDCRLMCKQB-UHFFFAOYSA-N 370.449 2.466 0 40 FEAB NC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 3408870 WRMKOPBQJNOBDB-UHFFFAOYSA-N 361.785 2.304 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc3ccccn23)C1 13691286 RWWKWYFOYWGQOW-CQSZACIVSA-N 350.378 2.478 0 40 FEAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6085169 LCKDAJKVXHYTIB-AWEZNQCLSA-N 356.451 2.445 0 40 FEAB Cn1cc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cn1 72405175 NSIOZNKMLHONCM-UHFFFAOYSA-N 359.389 2.436 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CC[C@H]3CCCC[C@@H]3C1)n2C 49972404 ZTCWNAJGRKEFRZ-HUUCEWRRSA-N 373.501 2.236 0 40 FEAB CC(=O)COc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 5274784 QMHIRQFPDPEOBP-UHFFFAOYSA-N 364.405 2.224 0 40 FEAB CC(C)(C)CC(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 14199996 WJWULGAIIPOQIO-MRXNPFEDSA-N 351.878 2.447 0 40 FEAB C[C@@H](NC(=O)CN1CCN(C(=O)C2CC2)CC1)c1ccc2c(c1)CCCC2 14134616 MRZFVMANHCZPLC-MRXNPFEDSA-N 369.509 2.297 0 40 FEAB CCn1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)n1 20528501 DUJRIQPZBMEKLT-UHFFFAOYSA-N 362.499 2.026 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439402 ULOHDBKGKKNNRN-CYBMUJFWSA-N 372.874 2.179 0 40 FEAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1cccc(F)c1 6638860 MSPGFAXFRCRBBC-OAHLLOKOSA-N 373.428 2.224 0 40 FEAB CCS(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 8038062 OBJKINITCGSCJH-ZDUSSCGKSA-N 359.494 2.202 0 40 FEAB COc1cc(NC(=O)CN2CC(=O)Nc3ccccc32)cc(OC)c1OC 8164084 UXRGMLSCHXACIG-UHFFFAOYSA-N 371.393 2.110 0 40 FEAB COc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1S(=O)(=O)NC1CC1 8328622 JTSKREQRGSKAKG-NSHDSACASA-N 364.423 2.220 0 40 FEAB O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1ccc2c(c1)OCO2 17169585 IEKABPZDHINOKI-LBPRGKRZSA-N 350.334 2.381 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(C)cs1 8505605 IMVVFVXFVVMJJW-ZDUSSCGKSA-N 350.465 2.444 0 40 FEAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc2c(c1)OCCCO2 8733776 GJUYFBYDPMZQKN-UHFFFAOYSA-N 367.361 2.303 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCc1cccc(Cl)c1 8769122 AABFQPXMRIEYFI-UHFFFAOYSA-N 372.812 2.125 0 40 FEAB Cn1nnnc1SCC(=O)NCCSCc1ccc(Cl)cc1 9048238 CWQRHYJMIMAGPO-UHFFFAOYSA-N 357.892 2.005 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)C1(N2CCOCC2)CCCC1 75110007 ARLKJGSVQXQXAC-AWEZNQCLSA-N 356.463 2.138 0 40 FEAB Cc1nc(CN2C[C@H]3CN(Cc4cccs4)C[C@@H]3S2(=O)=O)cs1 306126932 FJMSZJQDKVFZES-DOMZBBRYSA-N 369.537 2.159 0 40 FEAB O=C(NC1CC1)N[C@H]1CCN(C(=O)c2ncsc2-c2ccccc2)C1 527364926 FODLLWGKGMXMTK-AWEZNQCLSA-N 356.451 2.486 0 40 FEAB CCn1nc(C)c(NC(=O)c2cccc(Br)c2)c1C(N)=O 72265477 JZWDHEMWEJTXPH-UHFFFAOYSA-N 351.204 2.325 0 40 FEAB CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 558718915 ODRWGKDZGOXMLX-INIZCTEOSA-N 362.437 2.009 0 40 FEAB CC(C)c1nc(-c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)n[nH]1 71284342 HPFIWYTWVYCWKZ-UHFFFAOYSA-N 352.354 2.336 0 40 FEAB C[C@H]1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 72520238 ZYLDDRVNHYLXFR-GJZGRUSLSA-N 351.878 2.098 0 40 FEAB Cc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72392999 RRROELQNVKONKV-QGZVFWFLSA-N 362.437 2.310 0 40 FEAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)s1 225844430 LYUGHCQKRVITOL-JTQLQIEISA-N 354.457 2.153 0 40 FEAB O=C(CCNc1ncccn1)N1CCN(C/C=C/c2ccccc2)CC1 44848952 IGDPZKXQJRPSRL-XBXARRHUSA-N 351.454 2.136 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 223292786 SWBOAHWJELKWIA-DHZHZOJOSA-N 373.434 2.205 0 40 FEAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCCOCC)ccc21 225866760 WZPQSABVDAWLMC-UHFFFAOYSA-N 367.471 2.180 0 40 FEAB CCN(CC)CCNS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 40285873 QSGQJJTYDHORNX-UHFFFAOYSA-N 356.517 2.375 0 40 FEAB Cc1ccc(CN2CCc3nc(-c4cnn(C)c4)nc(N(C)C)c3C2)o1 96254065 WWHFBHFUVRWKRI-UHFFFAOYSA-N 352.442 2.403 0 40 FEAB C[C@@H](NC(=O)c1cnccn1)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296862 WWPTWUFQFLVXKR-SECBINFHSA-N 356.313 2.460 0 40 FEAB biogenic,in-vitro CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cccnc1)CC2 96260338 NTQNPGPUIGVDQA-UHFFFAOYSA-N 367.497 2.282 0 40 FEAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)no1 331462555 ZIRUMWDHLKZCDU-CYBMUJFWSA-N 363.439 2.356 0 40 FEAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2ccc4c(c2)OCO4)C3)nc1 248331472 HGBZAQFTWNLQJZ-OAHLLOKOSA-N 355.394 2.018 0 40 FEAB COCC(=O)N1CCC(c2cccc(-c3cncc(C(=O)O)c3)n2)CC1 257245703 IQRFASDKCUPTNN-UHFFFAOYSA-N 355.394 2.194 0 40 FEAB CC(C)c1nnc(CCC(=O)NCc2ccnc([C@@]3(C)CCCO3)n2)o1 257332500 XXOHBFJKZMTSBT-GOSISDBHSA-N 359.430 2.258 0 40 FEAB Cc1cc(C)nc(Nc2cccc(C3CCN(S(C)(=O)=O)CC3)n2)n1 257283661 OZGULANFIXZEPO-UHFFFAOYSA-N 361.471 2.371 0 40 FEAB O=C([C@@H]1CSCN1C(=O)C=C(C1CC1)C1CC1)N1CCSCC1 64522919 OCVXUYWNLLINGI-HNNXBMFYSA-N 352.525 2.210 0 40 FEAB Cc1noc(C)c1C(C)(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 280665397 XONFRHWMOCZVCD-UHFFFAOYSA-N 371.485 2.032 0 40 FEAB CCOc1cncc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 648519685 XEXHXNYBOZGCKS-UHFFFAOYSA-N 361.789 2.311 0 40 FEAB CC[C@H]1OC2(CCN(C(=O)c3ccc(-n4cccc4)c(F)c3)CC2)NC1=O 1615590536 LDGWSOLKOBVUGT-QGZVFWFLSA-N 371.412 2.474 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCNC3)CCO2)ccc1F 662509798 PFFIJXXRFBYRRA-PBHICJAKSA-N 358.417 2.148 0 40 FEAB Cc1ccc(NC(=S)N(CCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575419938 BCGNNKILLGLGJS-AWEZNQCLSA-N 370.496 2.046 0 40 FEAB COC[C@@H]1CN(CC2CCOCC2)CC12CCN(C1CCOCC1)CC2 585102791 FVGDEBCDJGGPAY-IBGZPJMESA-N 366.546 2.252 0 40 FEAB COc1cc(N2CCN(C(=O)C3CCC(F)(F)CC3)CC2=O)ccn1 1776008072 WPHPWVMBTGIDOZ-UHFFFAOYSA-N 353.369 2.091 0 40 FEAB Cc1nn2cccnc2c1C(=O)NCc1nc(-c2ccc(F)cc2)c[nH]1 74025643 HZXKWFZDUBGBLS-UHFFFAOYSA-N 350.357 2.497 0 40 FEAB Cc1nn2c(CNc3ccc(C(=O)N[C@@H](C)CO)cc3)c(C)nc2s1 551450341 DHFWFZZHKQLYDF-JTQLQIEISA-N 359.455 2.130 0 40 FEAB CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 12500246 FTHMOYPRBRCFGM-UHFFFAOYSA-N 357.435 2.240 0 40 FEAB Cn1cc[n+](C)c1SCC(=O)c1ccc(I)cc1 13640525 ZVBQIWWWXZXEFU-UHFFFAOYSA-N 373.239 2.429 0 40 FEAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccoc1)CC3 19550865 FZFIVVGYMCGCFR-UHFFFAOYSA-N 355.394 2.065 0 40 FEAB COc1cccc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)c1 19565275 WZXXZPUHTCUDMM-QGZVFWFLSA-N 350.426 2.408 0 40 FEAB COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 19590696 KDFJXKNEMULANN-UHFFFAOYSA-N 366.465 2.493 0 40 FEAB CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2cnnn2)cc1Cl 548076078 UJCBWBWAWQWSIC-OAHLLOKOSA-N 362.865 2.166 0 40 FEAB CC[C@@H](C)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6784894 WBKGJHOCINBDKK-ZIAGYGMSSA-N 353.488 2.186 0 40 FEAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)C5CC(F)(F)C5)C[C@H]4C3)n1)CCC2 1888856792 GCQWDPRZCHQVON-ZIAGYGMSSA-N 362.424 2.214 0 40 FEAB COc1ccc2nc(N3CCC(NS(=O)(=O)C4CC4)CC3)sc2c1 1888890420 BFARTDPESLXZKP-UHFFFAOYSA-N 367.496 2.356 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037912977 IWRFEBOSCWIJAT-OAQYLSRUSA-N 371.481 2.495 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cc[nH]n3)CC2)CN1c1ccc(F)cc1 2037989102 VSJYCFFBPHCDAF-IBGZPJMESA-N 358.417 2.337 0 40 FEAB Cc1ncc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)c(C)n1 2056223702 BHDAQEYMCXDKJO-HXUWFJFHSA-N 366.469 2.406 0 40 FEAB C[C@]1(C(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)CC=CCC1 1614947069 BKUGXUHRSJBQLR-GMXGEUMGSA-N 352.500 2.196 0 40 FEAB O=C(c1ncc(Cl)cn1)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565556056 VYHIKUFTQAUEAU-UHFFFAOYSA-N 372.860 2.443 0 40 FEAB CCCCN1C(=O)N[C@@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O 2503883 URZDOAJZYHLFQA-CQSZACIVSA-N 361.295 2.166 0 40 FEAB CCS(=O)(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 4553835 OZPYYADQIFWDCY-CQSZACIVSA-N 359.494 2.202 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)c3ccc(OC)c(OC)c3)CC2=O)c1 5194792 IVGWOCVKKZYRDA-CQSZACIVSA-N 370.405 2.248 0 40 FEAB O=C(CSc1nnc2n1CCN2c1ccccc1)NCc1ccco1 9573929 QVLPWLLANATWOQ-UHFFFAOYSA-N 355.423 2.431 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NC[C@@H]1CCCO1 12230423 FEJAGSURBRMCJC-INIZCTEOSA-N 374.412 2.170 0 40 FEAB COC(=O)C1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609132 QVUQOHYWIOFCDG-AWEZNQCLSA-N 372.450 2.471 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738606 BMRMWPYOOYRXEI-AWEZNQCLSA-N 352.394 2.270 0 40 FEAB CSc1ncc(Cl)c(C(=O)N2CCN(Cc3ccncc3)CC2)n1 30563400 QLGXHDHCWMETLA-UHFFFAOYSA-N 363.874 2.205 0 40 FEAB COC(=O)C1(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CCCCC1 40157988 YOGXHDXSLKYRAU-UHFFFAOYSA-N 370.453 2.419 0 40 FEAB NS(=O)(=O)N1CCC(C(=O)N[C@@H](c2cccs2)C2CCCC2)CC1 32397886 SJPNCNCAHOUECO-OAHLLOKOSA-N 371.528 2.011 0 40 FEAB O=C(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)Nc1ccccc1 21733761 WYNXWVCSYKDBRK-UHFFFAOYSA-N 374.418 2.022 0 40 FEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1c[nH]nc1-c1ccc(F)cc1 54017419 SZCQYPNXSHPDMK-HNNXBMFYSA-N 366.400 2.405 0 40 FEAB Cc1cc(CN(C)[C@H](C)C(=O)NC(N)=O)cc(C)c1OCC(F)(F)F 54395059 WUQWZFBYXRAUMP-LLVKDONJSA-N 361.364 2.260 0 40 FEAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(Cl)c1 953442 NJWNKXRKNANWCI-CQSZACIVSA-N 357.790 2.453 0 40 FEAB in-vitro COc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)s2)cc1 71285101 ZRSRETSISIFPED-STQMWFEESA-N 361.423 2.433 0 40 FEAB CN(c1ccccc1)c1ccc(C(=O)NC2CCS(=O)(=O)CC2)cn1 77171421 AJDRREGOKQPMBR-UHFFFAOYSA-N 359.451 2.157 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)Cc2cccnc2)c1 24927515 GUEDMVIHCOBKLH-UHFFFAOYSA-N 357.366 2.319 0 40 FEAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 25229642 HEQYSOPKYQINEU-UHFFFAOYSA-N 352.369 2.300 0 40 FEAB COc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1 4092201 OSAIEPFCLDRTRH-UHFFFAOYSA-N 358.789 2.223 0 40 FEAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(CC)Cc1cccc(F)c1 55976333 QFWNSMPPKBICBP-UHFFFAOYSA-N 369.418 2.245 0 40 FEAB O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc2c1OCCO2 55951841 IMFDISLCKZBDTO-UHFFFAOYSA-N 352.350 2.474 0 40 FEAB O=C1CC[C@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CN1 56461000 PKIANYHIHMGWQP-AWEZNQCLSA-N 358.438 2.260 0 40 FEAB C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccs1 35335104 DHWDCEVWVLNQSS-GFCCVEGCSA-N 356.451 2.294 0 40 FEAB Cc1cccc(OC[C@H](O)CNC(=O)c2csc(-c3cnn(C)c3)n2)c1 57442984 NPNBJFCRUPRFPY-CQSZACIVSA-N 372.450 2.022 0 40 FEAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 12532150 FBWHQZQDJMZIRK-UHFFFAOYSA-N 371.416 2.234 0 40 FEAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccccc1F 44723804 RKEWYVBRHODWFD-LBPRGKRZSA-N 363.414 2.129 0 40 FEAB Cc1nnc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cn12 58152816 LGLCYNUHCFJTTK-UHFFFAOYSA-N 357.801 2.402 0 40 FEAB CCN(CC)c1ccc(C(=O)NCCNC(=O)c2ccccc2F)cn1 58194827 AXBWMACFNCWHOC-UHFFFAOYSA-N 358.417 2.227 0 40 FEAB CCOC(=O)N[C@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 58162857 KHEOZFBDDTVYNH-LBPRGKRZSA-N 353.806 2.416 0 40 FEAB COc1ccc(C2(CNC(=O)CCNc3ncccn3)CCOCC2)cc1 56452530 JEWLDIIPWKHTPI-UHFFFAOYSA-N 370.453 2.152 0 40 FEAB biogenic CCOc1ccccc1OC1CCN(CC(=O)Nc2nncs2)CC1 58201108 CDXGEEPLLMLDPV-UHFFFAOYSA-N 362.455 2.419 0 40 FEAB COc1ccc2nc(N3CCN(C(=O)c4cc(C)n(C)n4)CC3)sc2c1 9001891 RPYCLANEHFPFKX-UHFFFAOYSA-N 371.466 2.309 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c2cccs2)o1 58342670 FIAOURILZJRPIT-CQSZACIVSA-N 363.483 2.358 0 40 FEAB CC(=O)N[C@H](CSc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 36390453 BKVMOQLMGNSVEF-SNVBAGLBSA-N 359.329 2.330 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CCO1 11504102 XYLZHSQMJJXQQY-LBPRGKRZSA-N 366.464 2.410 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(OC)c(OC)c1 3254569 YASHYORDUNYWKX-UHFFFAOYSA-N 360.366 2.293 0 40 FEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cc(C)no4)C3)cc2n1 100138236 IWZIDEZZKHQBER-LBPRGKRZSA-N 355.398 2.314 0 40 FEAB COC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 10315253 SXJROLJSTLUSQV-UHFFFAOYSA-N 362.407 2.405 0 40 FEAB COC(=O)CNC(=O)c1cccc(NC(=O)N2CCc3sccc3C2)c1 48157072 IZQITTXVJMCZGA-UHFFFAOYSA-N 373.434 2.241 0 40 FEAB CCOC(=O)Nc1ccc2c(CSc3nnnn3C)cc(=O)oc2c1 3335687 DCYNNLJDCLALHL-UHFFFAOYSA-N 361.383 2.177 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCc2ccccc21 12877440 XWMWSJFBWMBGKD-INIZCTEOSA-N 350.426 2.060 0 40 FEAB CSc1cccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1 3567482 JQIZNPMTFSNGJN-UHFFFAOYSA-N 371.422 2.259 0 40 FEAB COc1cc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc(OC)c1OC 12924469 JZSADRNLELOOEA-APPDUMDISA-N 366.439 2.105 0 40 FEAB CCCn1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc2c1=O 9154535 BBWFXVZSQCXRHM-UHFFFAOYSA-N 366.421 2.042 0 40 FEAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 28576498 CORASQFVCSKIGM-MRXNPFEDSA-N 350.484 2.346 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2ccc(OC)c(OC)c2)c1 39585886 ZSUPRQXTNUFNCU-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249171 BFLQTOYIZLRGDW-ZDUSSCGKSA-N 353.426 2.095 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)COc2ccc(OC)cc2)c2ccccc2O1 9314555 ZCDRIMXEGDXGKV-KRWDZBQOSA-N 357.362 2.041 0 40 FEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 14161146 JXBHJRKBUKAFBN-INIZCTEOSA-N 373.478 2.464 0 40 FEAB CNC(=O)c1nn(CN(C)Cc2ccc(C)cc2C)c(=O)c2ccccc12 14167476 DGJDMXGUMURGGJ-UHFFFAOYSA-N 364.449 2.462 0 40 FEAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 409247577 IKCHXHOMBXWISG-ZHACJKMWSA-N 362.407 2.003 0 40 FEAB COc1cc(NC(=O)CN(C)Cc2cnn(C)c2)c(OC)cc1Cl 14191743 CSDDLXTZVSUBAT-UHFFFAOYSA-N 352.822 2.161 0 40 FEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccsc1 14244706 GPAGDPMTMFPBBF-UHFFFAOYSA-N 361.423 2.299 0 40 FEAB O=C(c1cccs1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 9497157 ZGVSTSLQSBCQHY-UHFFFAOYSA-N 367.430 2.188 0 40 FEAB CC(C)=CCOc1ccc2c(C)c(CC(=O)NCC(=O)O)c(=O)oc2c1C 6623951 YSLRGBICPFCSEY-UHFFFAOYSA-N 373.405 2.498 0 40 FEAB biogenic CS(=O)(=O)c1ccccc1C(=O)OCC(=O)NC1CCCCCCC1 5937584 ODSPJEOUJGESRQ-UHFFFAOYSA-N 367.467 2.476 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 7253163 NZFZHDKKBFHGSF-INIZCTEOSA-N 359.813 2.292 0 40 FEAB Cc1cccc(OCC(=O)N2CCN(CCc3ccncc3)CC2)c1C 15669832 YZNJIBBOEQMMGK-UHFFFAOYSA-N 353.466 2.464 0 40 FEAB COc1ccc(CC(=O)OCC(=O)c2ccc(CNC(C)=O)s2)cc1 7415746 QCWVOYDKLHJZPZ-UHFFFAOYSA-N 361.419 2.361 0 40 FEAB NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)ccc1F 68396208 OMTUKHCUSMUEOE-UONOGXRCSA-N 361.417 2.292 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCSc2ccccc21 7989898 WVQSGAYKNUMZQX-UHFFFAOYSA-N 359.451 2.380 0 40 FEAB CCOC(=O)N1CCC(NC(=O)CSc2nc3ccccc3[nH]2)CC1 9870183 CIVSJSFPKXDUOK-UHFFFAOYSA-N 362.455 2.392 0 40 FEAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2n1 8704151 ADIMAVYYPXWFSS-AAEUAGOBSA-N 371.466 2.362 0 40 FEAB C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 89905718 LOJVENLXMAQYDG-CYBMUJFWSA-N 355.394 2.457 0 40 FEAB Cc1nc(CN2C[C@H]3CN(Cc4cccs4)C[C@H]3S2(=O)=O)cs1 306126933 FJMSZJQDKVFZES-IUODEOHRSA-N 369.537 2.159 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1F 62065721 VUGYYJFRVWYDRW-GFCCVEGCSA-N 366.414 2.448 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@](NC(=O)OCc2ccccc2)(C(=O)O)C1 306697205 YWSDIVNKOQFNQE-GOSISDBHSA-N 364.398 2.377 0 40 FEAB C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1nnc2n1CCCC2 527825574 XIGTWXYSUBYTDU-HOCLYGCPSA-N 360.506 2.382 0 40 FEAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974916 VHEIGEFRSSIAPY-UHFFFAOYSA-N 368.828 2.278 0 40 FEAB CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 569447922 QMEBLIMBEKDSRP-GFCCVEGCSA-N 356.455 2.636 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)NCCc1cnc(-c2ccccc2)nc1 225592593 KOQROWJUIBUBQQ-UHFFFAOYSA-N 374.400 2.410 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCc3ccccc3)cc2)o1 44921030 PFOCKUDFWDKPNG-UHFFFAOYSA-N 350.378 2.342 0 40 FEAB CCN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 224216539 FJPNFJRVCVMJFI-UHFFFAOYSA-N 362.451 2.281 0 40 FEAB C[C@H](NCc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1 90778724 UOLLHBWFOLBXOA-ZDUSSCGKSA-N 366.458 2.419 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 96222790 CHBCTJGWBZGTLY-MJGOQNOKSA-N 356.401 2.492 0 40 FEAB Cc1ncoc1C(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96208545 MAWZTCSVIANSCH-LPHOPBHVSA-N 357.410 2.359 0 40 FEAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(C(=O)O)n[nH]1 1593750731 IEORBNURUNXLLE-UHFFFAOYSA-N 371.372 2.342 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 25106750 YEGNXXVWGXINLJ-HIFRSBDPSA-N 350.426 2.447 0 40 FEAB biogenic Cc1cc(C(=O)N2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)on1 96107523 VMRYOOWLFPBSQS-LPHOPBHVSA-N 357.410 2.359 0 40 FEAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn21)c1ccsc1 247513381 UMRMNHYEQJNLGA-KRWDZBQOSA-N 360.483 2.158 0 40 FEAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4cnn(C)c4)[C@H]3C2)n1 248124929 LJYIVGUFZUYVMG-VDGAXYAQSA-N 356.470 2.320 0 40 FEAB NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547844 KVNGUSYHLWIQQR-XHSDSOJGSA-N 354.834 2.075 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2ccnn2C(C)C)ccn1 257282048 OSCPSDOHNYMREJ-QGZVFWFLSA-N 355.442 2.472 0 40 FEAB Cc1cc(C)n([C@H](C)CC(=O)N2CC(OCc3nnc(C(C)C)o3)C2)n1 606445840 WLLNYEOZCDEAAX-CQSZACIVSA-N 361.446 2.385 0 40 FEAB CC(C)n1cnc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)c1 671620082 XYJCEFOOPGANIH-MAUKXSAKSA-N 358.490 2.353 0 40 FEAB COc1cc(C)c(S(=O)(=O)N[C@@]2(C)CCO[C@H]2C2CC2)cc1OC 680109162 VDIGGGMCBXNJEK-IRXDYDNUSA-N 355.456 2.248 0 40 FEAB CC(C)CC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096274 DZCFRSGIFSSIMW-AWEZNQCLSA-N 355.442 2.157 0 40 FEAB O=C(c1ccc(O)nc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995446 WKPMQGLORVFTDG-UHFFFAOYSA-N 368.437 2.387 0 40 FEAB CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1 54635404 KTOKXEXZFMQZKX-ZDUSSCGKSA-N 358.467 2.495 0 40 FEAB COc1cc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)ccc1O 12233754 FUKKZLQKBSLJDD-AWEZNQCLSA-N 372.425 2.115 0 40 FEAB C[C@]1(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)CCS(=O)(=O)C1 12523095 TVXYAWKGBQOFQU-IBGZPJMESA-N 369.446 2.333 0 40 FEAB CCOC(=O)[C@@]1(Br)CC[C@@]1(Br)C(=O)OCC 16892937 XVDQRPZYIPSGDX-AOOOYVTPSA-N 358.026 2.174 0 40 FEAB Cc1nc2ccccc2c2nn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)n12 19286634 ONHHFKPCZIQBOL-STQMWFEESA-N 353.426 2.142 0 40 FEAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)s1 19560864 VVJBJYGHNYUNEJ-GFCCVEGCSA-N 373.482 2.016 0 40 FEAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)C(C)C)C2 19700660 LJYHWWGYPIPUQY-UHFFFAOYSA-N 368.437 2.465 0 40 FEAB COc1cccc(N[C@@H]2CC(=O)N(c3cc(C(=O)O)ccc3C)C2=O)c1 101275016 XVIHDZKWAOMMPZ-OAHLLOKOSA-N 354.362 2.446 0 40 FEAB C[C@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(C)c(=O)c2S1 6529314 IPODSCKGVQAXCU-JTQLQIEISA-N 353.513 2.358 0 40 FEAB C[C@](O)(C1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1)C(F)(F)F 546663662 HQTLWPINFSQMAY-INIZCTEOSA-N 372.391 2.242 0 40 FEAB O=S(=O)(c1ccccc1Br)N1CC(OCC(F)(F)F)C1 390832462 ZOSQUMUBFDQXJB-UHFFFAOYSA-N 374.178 2.401 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 3606053 IYQMIWTVDMWTPS-UHFFFAOYSA-N 351.834 2.109 0 40 FEAB O=C(Cc1cccnc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888888241 SLSGYBNQHUZROU-UHFFFAOYSA-N 362.437 2.345 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCc2ccccc21 14909279 BJHIGPQETNYWOM-UHFFFAOYSA-N 373.430 2.211 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 15498696 WEYMWSXJUDTCTF-MRXNPFEDSA-N 351.406 2.081 0 40 FEAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccc(Cl)cn1 23249330 CILKADYCMYODAR-UHFFFAOYSA-N 374.872 2.370 0 40 FEAB Cc1n[nH]c(C)c1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238911383 SFLUWQYXEDMWTG-UHFFFAOYSA-N 353.411 2.123 0 40 FEAB COc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)cc1 1565541856 DNSVZYLMAWUJQW-NRFANRHFSA-N 367.449 2.023 0 40 FEAB COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC 5193986 JJIOUIIXBSJSDI-MRXNPFEDSA-N 368.433 2.476 0 40 FEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)cc1 9660853 WVRKGOHYQSNIJA-UHFFFAOYSA-N 355.419 2.410 0 40 FEAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccsc1 38673318 OPPCCHRXNFXNQC-INIZCTEOSA-N 366.508 2.331 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1nccc2ccccc12 225776495 FLRHXUVAGKSXFI-UHFFFAOYSA-N 350.403 2.436 0 40 FEAB Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 281513744 LPVRTZNHGVPWHL-CYBMUJFWSA-N 363.468 2.341 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc(Cc3cccs3)n2C)s1 10304839 ABKOADVFZDEIBN-UHFFFAOYSA-N 366.497 2.358 0 40 FEAB COc1c(C)cnc(CNC(=O)CCS(=O)(=O)C2CCCC2)c1C 50448067 BPCMFXZPQIZJLR-UHFFFAOYSA-N 354.472 2.071 0 40 FEAB Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCc2nc3ccccc3[nH]2)c1 32841670 DBQYAZABYZMHNZ-AWEZNQCLSA-N 350.422 2.349 0 40 FEAB CCCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 32826709 UYKHMFIRFKILMF-LJQANCHMSA-N 371.525 2.458 0 40 FEAB Cn1cc(C(=O)NC2CCN(Cc3nc4ccccc4s3)CC2)cn1 52903637 OFIPMMLTEQOWPT-UHFFFAOYSA-N 355.467 2.424 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c(C)c1 1075034 LDUNCWVKANQKEE-UHFFFAOYSA-N 372.490 2.379 0 40 FEAB O=C(CN1CCCN(C(=O)c2ccncc2)CC1)NCCC1=CCCCC1 78303136 KQAZBYSKRGEAOZ-UHFFFAOYSA-N 370.497 2.236 0 40 FEAB Cc1ccccc1Cn1nc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 2730133 KHIWWEHDGIJZCS-LVYXFOGZSA-N 351.406 2.215 0 40 FEAB Cc1sc(C(=O)Oc2cccnc2)cc1S(=O)(=O)N1CCCC1 6679733 BHDODFIAHSPBJA-UHFFFAOYSA-N 352.437 2.455 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 57477480 DRRBRBQLSDDKKM-UHFFFAOYSA-N 365.433 2.198 0 40 FEAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 35572017 YNGVGDISDWWFCT-GOSISDBHSA-N 364.398 2.377 0 40 FEAB in-vitro CCN1CCN(CC(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)CC1 72972509 VVWJWFDTACVFLQ-GOSISDBHSA-N 358.530 2.495 0 40 FEAB CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccco1 58180814 RDOONYOUTKUCDA-DLBZAZTESA-N 371.485 2.485 0 40 FEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C[C@@H]1C=CCC1 58268207 GKLZCOIQHYLMIK-OAHLLOKOSA-N 357.454 2.378 0 40 FEAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)cc1 58214580 SNCCDKRHLCYIMG-UHFFFAOYSA-N 371.418 2.212 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 58309750 LALGUHGTKYVYHW-PBHICJAKSA-N 361.442 2.377 0 40 FEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccnc(Cl)c2)C1=O 28010930 XPAINHNAZOKXSW-SFHVURJKSA-N 372.812 2.323 0 40 FEAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCO[C@H](c2ccccc2)C1 103469587 PHZXMYLDEOOGAE-JQHSSLGASA-N 355.442 2.080 0 40 FEAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 11519430 JSUHWXGWKXKSGA-UHFFFAOYSA-N 368.418 2.044 0 40 FEAB CCOC(=O)c1cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)[nH]n1 95465001 OEBGKCXQOHTRJN-LBPRGKRZSA-N 359.382 2.397 0 40 FEAB COc1ncccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1c(C)noc1C 100172266 CRFWXDVHMZNDOS-ZIAGYGMSSA-N 357.410 2.350 0 40 FEAB O=C(Nc1cccc(F)c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 95442230 SICMOZNVDVUPDH-GJZGRUSLSA-N 356.419 2.026 0 40 FEAB CN1CCN(c2ccc(NC(=O)Cc3noc4ccccc34)cn2)CC1 12995186 BTBHMXMOTHKGQU-UHFFFAOYSA-N 351.410 2.156 0 40 FEAB CN(C)CCn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O 38828835 JMJDPDKFDZSPEL-UHFFFAOYSA-N 368.828 2.321 0 40 FEAB Cc1ccc(SCCNC(=O)CNC(=O)COc2ccccc2)cc1 9387606 JYCGRXPRGUPUOL-UHFFFAOYSA-N 358.463 2.399 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N(C)C 39641945 TXPBRYOQAYIARM-QGZVFWFLSA-N 362.470 2.370 0 40 FEAB CCCCC[S@@](=O)[C@H]1CS(=O)(=O)C[C@@H]1[S@@](=O)CCCCC 13738995 HBDJWXISPOPUAE-WZBLMQSHSA-N 356.575 2.030 0 40 FEAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nnc2ccccc2c1=O 5265887 FHXRSUOOEOFMDZ-HNNXBMFYSA-N 366.377 2.153 0 40 FEAB Cc1cn2nc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)sc2n1 89702179 XSBPIRMQZRJUQP-UHFFFAOYSA-N 353.455 2.298 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H](C)Oc1ccc(F)cc1)C2=O 14086207 KJQBLFYTNZMYFB-BJCXPLBRSA-N 363.389 2.125 0 40 FEAB COC(=O)c1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 14109034 RTUFHDKDSFECGI-FQEVSTJZSA-N 353.374 2.261 0 40 FEAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccc(Cl)c1 14136090 NOSIRVGZXTWNDA-QGZVFWFLSA-N 373.840 2.051 0 40 FEAB Cc1cc(C)cc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 6922047 XHDWXPWAVCSDNI-ZMSDIMECSA-N 350.484 2.374 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)Cc3ccsc3)nc2c1 7133558 MSULZPPWHBKMAM-UHFFFAOYSA-N 358.375 2.057 0 40 FEAB C[C@H]1CCC[C@@H](C)N1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15981569 BCEIBUPUOBKLNJ-ZNMIVQPWSA-N 373.453 2.105 0 40 FEAB COC(=O)NC(C)(C)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 71883019 ZCSLFPIICFJPMG-UHFFFAOYSA-N 352.391 2.341 0 40 FEAB C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 16418470 MXFNUQAKZGRAQH-MNOVXSKESA-N 357.815 2.159 0 40 FEAB CCOc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 19924207 XJXWKMXZJUJYSI-UHFFFAOYSA-N 367.413 2.295 0 40 FEAB Cc1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)s1 8133802 NXLLAUHFNAAVIM-GOSISDBHSA-N 356.403 2.469 0 40 FEAB O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)C(F)F)cc1 9753725 MEVDCYVAWKXKOO-UHFFFAOYSA-N 366.436 2.457 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(C(=O)CN(C)c2ccccc2)CC1 84251117 VASNSMSTZFVYBG-UHFFFAOYSA-N 355.438 2.445 0 40 FEAB COc1cc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)ccc1O 72405349 KUBDLYJKCACDSM-UHFFFAOYSA-N 369.381 2.279 0 40 FEAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)NS(=O)(=O)c1cccnc1 95954158 ABKYGECCVSVDPW-HNNXBMFYSA-N 370.377 2.268 0 40 FEAB O=C(c1cccs1)N1CC(C(=O)N2CCN(Cc3ccccc3)CC2)C1 62022594 PHJKPEPCSCWNCL-UHFFFAOYSA-N 369.490 2.165 0 40 FEAB CCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 22074632 RZZHIRNTSFFCGW-UHFFFAOYSA-N 364.467 2.074 0 40 FEAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598386 ZRNFYCIPODZPBF-SFHVURJKSA-N 360.479 2.493 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C)o2)C1=O 409243883 YNWILNSJKCSCHH-NTEUORMPSA-N 355.350 2.128 0 40 FEAB COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)n[nH]c1C 79481378 WUQASTJBDORLQV-NSHDSACASA-N 350.371 2.145 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccccc2)C1(CO)CO 218060186 OLZSWVYYVAOEAL-CVEARBPZSA-N 352.839 2.251 0 40 FEAB O=C(O)C[C@H]1CCCN(C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 560914881 WCOJKCNRLZMQED-LLVKDONJSA-N 362.361 2.272 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N2 40386717 YTGHZGQFXVVDPC-VIFPVBQESA-N 369.303 2.082 0 40 FEAB Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2ccccc21 42381469 VKFZVFCAONOGNR-UHFFFAOYSA-N 370.478 2.225 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cccs2)c(C)c1 77115062 PGTCRRZJQJTYGN-AWEZNQCLSA-N 368.480 2.417 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1C 223921234 KNFNJQCPAJISBN-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB O=C1C[C@]2(CCN(c3ccccn3)C2)CN1c1ccc2c(c1)OCCO2 96239079 YCYSDCKUTYRFNC-FQEVSTJZSA-N 351.406 2.486 0 40 FEAB COc1cccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 95117189 IGFKSDLHDHJDES-HNNXBMFYSA-N 369.414 2.040 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1c1ncccn1 96051812 QVKDOMGHHXHDGY-HNNXBMFYSA-N 356.426 2.217 0 40 FEAB Fc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)cc1 96058879 FWHOGZVGMTZUJE-UHFFFAOYSA-N 353.401 2.450 0 40 FEAB COc1ccccc1N1CCN(C(=O)CCNc2nc(C)cc(C)n2)CC1 95477435 VNOAIPYSVMHBGM-UHFFFAOYSA-N 369.469 2.253 0 40 FEAB CCn1nnc2c1CCN(C(=O)CC1Cc3ccccc3C1)[C@@H]2COC 96198488 WHSULMBQGFPAMH-GOSISDBHSA-N 354.454 2.175 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cncnc3)CC2)C[C@H]1Cc1ccccc1 257327597 XBZOFUNOTNLQTK-GOSISDBHSA-N 364.449 2.172 0 40 FEAB CN(C)c1cncc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)n1 257208527 BMNIVCYQUIRACE-OAHLLOKOSA-N 354.410 2.178 0 40 FEAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)c1cccs1 681559179 XOWGAPYYJDBARP-ZDUSSCGKSA-N 353.421 2.273 0 40 FEAB O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[C@@H](n2cncn2)C1 681600675 APAQCFUUILOWBU-NEPJUHHUSA-N 357.241 2.272 0 40 FEAB Cc1ncc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c(C2CC2)n1 1775958197 JOYYDRHVEDHFKJ-JKSUJKDBSA-N 359.426 2.147 0 40 FEAB CCN1CC2(CCN(CCCS(=O)(=O)C(C)(C)C)CC2)[C@H]2COC[C@H]21 1615553557 SOVGGMOGGFIJJM-DLBZAZTESA-N 372.575 2.023 0 40 FEAB Cc1ncnc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)c1C 585108787 HGZHBEIBRHYYQG-JENIJYKNSA-N 368.437 2.077 0 40 FEAB CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)n(C)c1 52990795 WAUONBLRKWJRSK-OAHLLOKOSA-N 369.421 2.389 0 40 FEAB Cc1nc(CN2CCC(CNC(=O)NCc3ccn(C)c3)CC2)oc1C 81494791 MRPUXRRIHBMKAF-UHFFFAOYSA-N 359.474 2.341 0 40 FEAB CCN(CC)CCNC(=O)N(CCS(=O)(=O)c1ccccc1)C(C)C 2021380 OSTGVQSWUXGHKL-UHFFFAOYSA-N 369.531 2.222 0 40 FEAB in-man COc1ccccc1C(=O)Nc1nnc(-c2cccc(S(C)(=O)=O)c2)o1 5240548 TXADIHFDLIMSPG-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2F)C1=O 5450054 VNYIHLZASRFQFR-IBGZPJMESA-N 372.352 2.400 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCc3ccco3)n2)c(C)o1 12183811 SOWUJDKBRKKCQW-LLVKDONJSA-N 356.382 2.173 0 40 FEAB COc1ccc(CNC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)cc1 14001038 GAJZNJNBNXSYEB-UHFFFAOYSA-N 362.389 2.203 0 40 FEAB Cc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccco3)s2)c1 15674465 IEHVEFVOJFYLJG-UHFFFAOYSA-N 364.408 2.493 0 40 FEAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2 19017238 WYSSVALYZPUNII-GOSISDBHSA-N 350.422 2.359 0 40 FEAB COc1ccc(CN2CCN(Cc3ccnc(N4CCCC4)n3)CC2)cc1 19555386 LYDVNEZPHVHJGV-UHFFFAOYSA-N 367.497 2.403 0 40 FEAB CNC(=O)c1ccc(-c2ccc(CNC(=O)[C@H]3CCCO3)cc2)nc1C 19700753 SSOKBYVTQTURKD-GOSISDBHSA-N 353.422 2.212 0 40 FEAB CN1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc23)[C@@H]1c1cncn1C 583619600 DFPSGUKZBWNHCE-SCLBCKFNSA-N 352.442 2.109 0 40 FEAB CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CC2(Cl)Cl)c1 22610989 XGLZTLVDAVHMCV-SNVBAGLBSA-N 352.239 2.335 0 40 FEAB CN(C)c1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)ncn1 1888897479 FYMSYEAJPOVLCA-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB Cc1ocnc1CN1CCC(N(C)C2=NS(=O)(=O)c3ccccc32)CC1 1888922134 DQQIGPWLSVHSGF-UHFFFAOYSA-N 374.466 2.028 0 40 FEAB COC1(CC(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)CCC1 1565546687 IBIHNBLAAMUXLK-AOIWGVFYSA-N 360.454 2.316 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)o1 1565552213 PYVNQSDZNAGWEW-LJQANCHMSA-N 368.393 2.373 0 40 FEAB O=C(c1cc[nH]n1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542842 XTBVHDPOBAFNLO-IEBWSBKVSA-N 356.426 2.033 0 40 FEAB O=C(c1cc[nH]n1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542844 XTBVHDPOBAFNLO-PKOBYXMFSA-N 356.426 2.033 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NC3CC3)s2)cc1 8978953 HWVSDUGJZDXLPD-UHFFFAOYSA-N 351.453 2.453 0 40 FEAB COc1cc(C(=O)Nc2c(C)nc3ccccn3c2=O)cc(OC)c1OC 9616728 PBKSONKKIDTXSV-UHFFFAOYSA-N 369.377 2.281 0 40 FEAB CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccnc1 9764068 VRLWJEHHTPBGBC-KRWDZBQOSA-N 358.423 2.151 0 40 FEAB COc1ccc(CCS(=O)(=O)NCCc2ccc(N(C)C)cc2)cc1 11693685 BPSREBPKFJJPKD-UHFFFAOYSA-N 362.495 2.466 0 40 FEAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)C1=COCCO1 5169742 ANFMPQOCJMWZDU-UHFFFAOYSA-N 352.144 2.326 0 40 FEAB C[C@](O)(CNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 77184566 XNFJKQLONULRPM-INIZCTEOSA-N 369.826 2.255 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 30587891 RGDWBXDVFIFNJA-UHFFFAOYSA-N 359.451 2.490 0 40 FEAB CCc1ccccc1NC(=O)CNC(=O)c1csc(-c2cnn(C)c2)n1 40142872 HOEYLMYWHMISCV-UHFFFAOYSA-N 369.450 2.475 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1 101359045 FSKCWQRLCYVXIW-DOTOQJQBSA-N 370.336 2.135 0 40 FEAB COc1cc(C)c(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102934166 NQCCXEXJUXEQDR-MCIONIFRSA-N 372.421 2.290 0 40 FEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 913272 AHOKXPDKGLOQIZ-OAHLLOKOSA-N 356.334 2.300 0 40 FEAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(-n2cnnn2)cc1 9113870 SVOFDTVFBRPVLU-UHFFFAOYSA-N 369.406 2.164 0 40 FEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 24583221 WHZSGNPQCBEXMU-OLZOCXBDSA-N 350.415 2.370 0 40 FEAB CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)cc1 1014250 RYOGLUJKNXVFKZ-HOCLYGCPSA-N 350.415 2.252 0 40 FEAB biogenic CC(C)c1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1 24565477 ZCDIYTFSZKYJMX-UHFFFAOYSA-N 358.417 2.472 0 40 FEAB COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)n[nH]c1C 79485416 NHGISEMRBQAYRW-NSHDSACASA-N 350.371 2.145 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(Br)c1 3899999 JAYMFRYWIBHXEG-VOAKCMCISA-N 352.184 2.350 0 40 FEAB Cc1cccn2c(=O)nc(SCC(=O)N3CCc4ccccc43)nc12 4504002 JAGDSGKCIUKMJD-UHFFFAOYSA-N 352.419 2.079 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 4999903 HAWRLFXICWHIRT-UHFFFAOYSA-N 365.389 2.024 0 40 FEAB Cc1cc(I)ccc1NC(=O)CSCCO 7198333 DOBBVSYMQSFCAJ-UHFFFAOYSA-N 351.209 2.264 0 40 FEAB CN1CCN(CC2CCN(C(=O)COc3ccccc3Cl)CC2)CC1 57065642 RAPDORPYMZPKSF-UHFFFAOYSA-N 365.905 2.205 0 40 FEAB O=C(c1cn(-c2cccc(F)c2)nn1)N1CCN(Cc2ccccc2)CC1 44168142 MPJAXWFCBVASLU-UHFFFAOYSA-N 365.412 2.364 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 8480805 NKXGLLOBTXXVOA-SFHVURJKSA-N 357.435 2.222 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 58216026 LLHONAOVQCPJCE-OAHLLOKOSA-N 367.449 2.372 0 40 FEAB O=C(CCOc1ccc(Cl)cc1)NCc1cccnc1-n1cncn1 58200765 SVXBUJPNYOHUMJ-UHFFFAOYSA-N 357.801 2.401 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCC(C)C)[C@H]3C1=O 2152219 YCNSXBIJSKDORK-NHAYFPRASA-N 357.406 2.181 0 40 FEAB biogenic O=C1c2ccccc2C(=O)N1CCCCON1C(=O)c2ccccc2C1=O 2182084 HWNPVSCGILWPBK-UHFFFAOYSA-N 364.357 2.291 0 40 FEAB O=C(CN1CSCC1=O)Nc1ccc(-n2cnc3ccccc32)cc1 10427311 XKMXRSLXMLOUJZ-UHFFFAOYSA-N 352.419 2.497 0 40 FEAB O=C(Nc1ncccc1O)[C@H]1CCC[C@H](C(=O)Nc2ncccc2O)C1 58401971 IKKHAYJDLDGKNA-RYUDHWBXSA-N 356.382 2.271 0 40 FEAB O=C(CN1CSCC1=O)Nc1ccc2nc(N3CCCC3)sc2c1 10577456 FQBQZRPCOYFZCN-UHFFFAOYSA-N 362.480 2.368 0 40 FEAB COc1ccc(Br)cc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101675504 XMIUXBIPLDQVFZ-JTQLQIEISA-N 351.160 2.033 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C[C@H]2CCCCO2)CC1 36383951 JXYXIGAYWTVVDD-GOSISDBHSA-N 364.511 2.051 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 11412780 VCONWZDGOVHCHR-ACJLOTCBSA-N 366.417 2.395 0 40 FEAB COC(=O)COC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 36712996 SCDWKXMOTWTKRD-UHFFFAOYSA-N 354.424 2.106 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccccc1Cl 101916667 ATMIGLNSUKCAAX-FZTCLAKQSA-N 356.809 2.332 0 40 FEAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCC2 53389802 ARYMQVOOXVKYFB-SUMWQHHRSA-N 350.484 2.024 0 40 FEAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 12848117 IWSCFFFZFYMNJV-CQSZACIVSA-N 355.390 2.387 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)OCc1ccccc1 12901284 QCUBGZKASUBLPY-UHFFFAOYSA-N 350.374 2.465 0 40 FEAB biogenic CCC[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 12993444 MLXWOMCPNGDDGN-QGZVFWFLSA-N 351.410 2.087 0 40 FEAB C[C@@H](C(=O)NCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 113941080 CNUIKWGWUVTFBA-ZDUSSCGKSA-N 350.415 2.297 0 40 FEAB CC(C)[C@@H](O)C1(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 95986736 DUURYJGJWKCZIF-QGZVFWFLSA-N 367.515 2.465 0 40 FEAB COc1ccccc1COC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 6002428 UMARHUFJQNNRMZ-UHFFFAOYSA-N 367.398 2.198 0 40 FEAB CCOC(=O)C1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 65154611 ADNMWZSVNQEZQN-UHFFFAOYSA-N 369.425 2.091 0 40 FEAB COC(=O)[C@@H](C)Sc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 5163405 OTCGMGPHHYWGPG-SECBINFHSA-N 372.385 2.256 0 40 FEAB COCc1c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)oc2ccccc12 5203284 NDDXCUPKJGGWAR-STQMWFEESA-N 361.394 2.372 0 40 FEAB O=C(CSC1=NCCS1)N1CCN(C(=O)Nc2ccccc2)CC1 9364281 KXDZDYRMXHFMPM-UHFFFAOYSA-N 364.496 2.199 0 40 FEAB O=C(NCc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nn1 65474397 WBUATBAYONBRJZ-UHFFFAOYSA-N 363.421 2.034 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 5367512 YUZNFELFKOIUDR-UHFFFAOYSA-N 356.378 2.127 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1n[nH]c2cccc(F)c12 95472905 AOJUKRPCIANSAA-ZDUSSCGKSA-N 367.340 2.431 0 40 FEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@H](O)c1ccccc1 6659122 GWJFSDPDDYMKFZ-GUYCJALGSA-N 353.374 2.410 0 40 FEAB biogenic CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 7307268 LLPKXZFTTWHLGB-QGZVFWFLSA-N 374.462 2.426 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Oc2ccccc2NC(C)=O)c1 16091926 HEHRQEFGLGHUBO-UHFFFAOYSA-N 351.380 2.430 0 40 FEAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)CC1 7975894 LVNJQPDICBAICM-INIZCTEOSA-N 370.540 2.345 0 40 FEAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1C1CC1 8073290 XJAAUENRLKZPKV-UHFFFAOYSA-N 369.377 2.207 0 40 FEAB C[S@@](=O)Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 69371029 LHMAZYTVRHFWNL-QYBDOPJKSA-N 370.474 2.096 0 40 FEAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1 9668529 NOWLLIHUVLMWON-CMPLNLGQSA-N 354.476 2.264 0 40 FEAB Cn1nc(Br)c2c(NCCCOC[C@H]3CCCO3)ncnc21 69921213 VVMSLOOBHSTNDZ-SNVBAGLBSA-N 370.251 2.123 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CC34CCOCC4)C2)nc1 72312758 BSZQGKGWTJGEPM-HZPDHXFCSA-N 357.454 2.384 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1 20012938 RKYHMKQIOWWVEK-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)Nc1nc2ccc(Cl)cn2n1 89794113 JQNIKUOROMFYGA-UHFFFAOYSA-N 369.772 2.399 0 40 FEAB CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)OC(C)(C)C 89856472 KICOPBIBJSPASS-TZMCWYRMSA-N 352.431 2.271 0 40 FEAB O=C(CNC(=O)c1cc(Cl)ccn1)NCc1nc2ccccc2s1 24588666 OSVCNCCBEAKQEB-UHFFFAOYSA-N 360.826 2.391 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc2oc(=O)[nH]c2c1 31256991 QGIXWUAYZGWFTP-UHFFFAOYSA-N 361.304 2.158 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)c3ccccc3C2=O)cc1F 32719727 VEQGALSJHGQXFB-UHFFFAOYSA-N 356.353 2.089 0 40 FEAB Cc1cc(C(=O)N2CCCN(Cc3ncc(C(C)(C)C)o3)CC2)nn1C 72254518 KCSVQYSJVJLEBJ-UHFFFAOYSA-N 359.474 2.362 0 40 FEAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1 226260207 MHJQXIMOALROHM-UHFFFAOYSA-N 354.454 2.347 0 40 FEAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1Cl 224358813 FUWAZIPLBBQHHM-UHFFFAOYSA-N 361.833 2.285 0 40 FEAB Cc1ccc(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)cc1C 96259526 HMETWYSCKNZVTM-UHFFFAOYSA-N 350.426 2.186 0 40 FEAB CC[C@@H]1CN([C@H](CC)C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CCO1 332274560 IBYDMPHMYBCMMO-QRVBRYPASA-N 373.497 2.140 0 40 FEAB CCc1cnc(N2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)nc1 96077932 YLVPHBZBDMOGEJ-LJQANCHMSA-N 355.442 2.273 0 40 FEAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96240834 WJMUNZIOIHFFPF-SFHVURJKSA-N 356.466 2.390 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)no1 96065097 KJOGAECSTWSXSZ-PKOBYXMFSA-N 357.410 2.468 0 40 FEAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 96220079 GYFVTIPECJZDOX-UYAOXDASSA-N 358.486 2.068 0 40 FEAB O=C(O)c1cc(I)c(-c2ccccc2F)[nH]c1=O 96517592 AXSXEAYPJOCACF-UHFFFAOYSA-N 359.094 2.484 0 40 FEAB Cc1cc(NC(=O)CN2CCN(c3nccc4sccc34)CC2)n(C)n1 585083859 DDLRJRUOKBBIMR-UHFFFAOYSA-N 370.482 2.099 0 40 FEAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 247525423 MXSHAYBCWDWOIG-RTBURBONSA-N 360.479 2.457 0 40 FEAB CC(C)c1nnc(CCC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)o1 257267677 MIHWTFMKYXYQNP-IIDMSEBBSA-N 359.426 2.213 0 40 FEAB Cn1cncc1CN1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 257268300 MLBGPZBEQSFFFK-CYBMUJFWSA-N 370.486 2.260 0 40 FEAB Cc1cc(C)n(CCCC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)n1 257249769 JJRKCWBDAFASSA-MRXNPFEDSA-N 357.458 2.281 0 40 FEAB Cc1ncc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)[nH]1 630140796 NQIUJUWATMYBPS-OAHLLOKOSA-N 356.382 2.050 0 40 FEAB CC[C@H]1CN(C(=O)c2cn(CCC(C)C)nn2)c2cnccc2NC1=O 1615592309 XAUKDOWVZTVNKL-ZDUSSCGKSA-N 356.430 2.344 0 40 FEAB CC(C)n1cnc(C(=O)N2CCN(C(=O)C3CC3)C3(CCOCC3)CC2)c1 1775962768 DQPPAZPOMBOHDI-UHFFFAOYSA-N 374.485 2.098 0 40 FEAB COc1cccc(N2CCC[C@@H](NC(=O)N3CCOCC(F)(F)C3)C2)c1 642459867 QKUDZNGBHYOHPH-CQSZACIVSA-N 369.412 2.341 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2cccc(OC)c2)Cc2cccn2C1 585099046 GISZVLQAFFISDF-SFHVURJKSA-N 371.481 2.281 0 40 FEAB Cc1nc[nH]c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 635480078 WQXZEIOENDEJBH-UHFFFAOYSA-N 350.781 2.109 0 40 FEAB Cc1cccnc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160852 TWMFFQPOTAUULW-NRFANRHFSA-N 365.433 2.428 0 40 FEAB CS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 5329074 QXSPPRFIJZRSJK-UHFFFAOYSA-N 372.493 2.261 0 40 FEAB C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 12145147 WHTWHAARRPNJRW-CABCVRRESA-N 354.454 2.113 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)C1 12145747 ODNHUVFKCHYSOM-LSDHHAIUSA-N 357.454 2.366 0 40 FEAB Cc1noc(C)c1-c1nc(NC[C@@H]2COCCO2)ncc1-c1cnccn1 12155885 UEHMTMVNOAQFQH-CYBMUJFWSA-N 368.397 2.033 0 40 FEAB Cc1c(C(=O)N(C)[C@H](C)Cc2ccccn2)sc2ncn(C)c(=O)c12 12290403 WZKLPZQMMLGCPV-LLVKDONJSA-N 356.451 2.402 0 40 FEAB CC(C)CCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O 13453881 ZDBVAAXPLJTPJF-UHFFFAOYSA-N 351.428 2.066 0 40 FEAB Cc1c(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cnn1C 19553172 KMMFFSWVRWAOOG-LBPRGKRZSA-N 369.450 2.170 0 40 FEAB CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19711539 AHVGTDCLFVQOSC-KRWDZBQOSA-N 369.444 2.209 0 40 FEAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cnc(C)cn2)C1 19712279 KCQZFSUHNGBEHA-KDOFPFPSSA-N 354.410 2.394 0 40 FEAB COc1ccccc1[C@@H]1CN(Cc2cncn2C)C[C@]12CCCCC(=O)N2 643912154 UDYTYVHCQZWAGF-GHTZIAJQSA-N 368.481 2.457 0 40 FEAB CNC(=O)C[C@@]1(O)CCCN(Cc2cccc(F)c2Br)C1 643757910 ZBXMERFSFUMACB-HNNXBMFYSA-N 359.239 2.051 0 40 FEAB COc1cc(C(=O)N2C[C@H]3CCc4cn(C)nc4[C@H]3C2)cc(OC)c1OC 19290815 KDHRDQZSSCJGJF-DOMZBBRYSA-N 371.437 2.248 0 40 FEAB COc1ccc(S(=O)(=O)N2CC(Cn3cc(C)cn3)C2)cc1Cl 1848680606 VRBQJUFACJSGLN-UHFFFAOYSA-N 355.847 2.174 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679881 UXIZEBUOYSDUNY-KZULUSFZSA-N 361.467 2.233 0 40 FEAB CN(C)c1cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)ncn1 1889116480 ZSBVFIPIPJLMFY-UHFFFAOYSA-N 370.354 2.422 0 40 FEAB O=C([C@H]1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCSCC1 1889139161 QWGZPQOBQQZNDF-CQSZACIVSA-N 367.858 2.262 0 40 FEAB CCOC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O 4686624 XTTHYVUCIKMCBP-LBPRGKRZSA-N 365.695 2.401 0 40 FEAB COc1ccc(OCC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1 8924907 AXJJSDPGILQWPH-OAHLLOKOSA-N 354.406 2.243 0 40 FEAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2cscn2)CC1 2055751305 HTPBXNCDLPMJGN-UHFFFAOYSA-N 358.467 2.318 0 40 FEAB Cc1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)nc1 2055745574 KWLYRLYXVUWWCK-AWEZNQCLSA-N 368.437 2.338 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](COc2ccncc2)C1 1775971574 QPLZTIRKHTXGOU-OAHLLOKOSA-N 367.405 2.307 0 40 FEAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(c4ccccc4)[C@H]3C2=O)c1 101260815 HKLDUTJAZFUCGE-HZPDHXFCSA-N 352.350 2.202 0 40 FEAB O=C(OCc1ccccc1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255549 FERCMPSLVYPXBF-UHFFFAOYSA-N 357.410 2.214 0 40 FEAB CN1CCCN(C(=O)COCC(F)(F)F)c2nc3ccccc3nc21 40131510 GOLAOIKGHQACFY-UHFFFAOYSA-N 354.332 2.382 0 40 FEAB COc1ccc(OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 40267851 ZKHPTWHAHJXLLI-UHFFFAOYSA-N 360.387 2.414 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 100892539 IICLSTHDBURUGS-FPCVCCKLSA-N 369.396 2.155 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccccc2s1 102363352 AGWNHRTXWPXBQI-FCIDVOKBSA-N 353.403 2.042 0 40 FEAB C[S@](=O)Cc1cccc(C(=O)NCc2nncn2-c2ccccc2)c1 42496853 OFOYTORTBVGPFT-RUZDIDTESA-N 354.435 2.076 0 40 FEAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)O)nc21 797144 NKTOWMCYLKHUHJ-UHFFFAOYSA-N 353.201 2.456 0 40 FEAB COC(=O)c1oc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1C 26170143 ZGEKOULHKBPBPT-UHFFFAOYSA-N 360.385 2.472 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCOCC2)cc1 24649487 CLTCPCWXPHFGNG-AWEZNQCLSA-N 368.499 2.321 0 40 FEAB COC(=O)c1cc(Cl)c(NC(C)=O)c(I)c1O 95935513 KHLJMCYDOCEJNR-UHFFFAOYSA-N 369.542 2.395 0 40 FEAB COC(=O)c1sccc1NS(=O)(=O)c1cc(OC)ccc1OC 3153584 ZRRQXCRTWOESJC-UHFFFAOYSA-N 357.409 2.353 0 40 FEAB O=C1NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)N1 4704658 YKWXNFDWIXFYKS-XVNBXDOJSA-N 361.977 2.098 0 40 FEAB O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccn1 55982167 QGZRTJNJBWKRJF-UHFFFAOYSA-N 369.240 2.398 0 40 FEAB NC(=O)c1ccccc1OCC(=O)NCc1ccccc1CN1CCCC1 8012965 UNKSUZPAYWOXFN-UHFFFAOYSA-N 367.449 2.077 0 40 FEAB O=C(NC1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1)c1ccccc1 57403129 RQVJVUGNLFIICU-UHFFFAOYSA-N 362.433 2.318 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1 12543437 DEWMKTGVEWIOKT-QGZVFWFLSA-N 371.412 2.497 0 40 FEAB O=C(NCCCNS(=O)(=O)c1cccc(F)c1)c1ccccc1F 58173411 MELOOCRXBTXARU-UHFFFAOYSA-N 354.378 2.063 0 40 FEAB CC(C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 58281669 OEYHMGXLICJPRT-GOSISDBHSA-N 372.513 2.405 0 40 FEAB NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)COc1cccc(F)c1 58305312 QQIUODHUAQTLGU-SFHVURJKSA-N 371.412 2.293 0 40 FEAB CCN(CC)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C 45537828 BQJQPMMIZFOPET-QGZVFWFLSA-N 362.522 2.065 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NC2CC2)o1 48072125 GKTCUEPIRBZTJL-UHFFFAOYSA-N 373.434 2.174 0 40 FEAB CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NCC(C)C)n1 2733178 PYMWZJBRKBMBQB-UHFFFAOYSA-N 368.388 2.441 0 40 FEAB CC(C)[C@@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 37477442 ZHSOZLNHDZUNFN-STXHMFSFSA-N 362.470 2.380 0 40 FEAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(F)c1 12630581 IMVLRTLXIGJBOQ-UHFFFAOYSA-N 370.427 2.067 0 40 FEAB COc1cc(OC)cc([C@H](NC(=O)c2ccncc2)c2nccn2C)c1 48230319 KYZREXIIVATUGD-KRWDZBQOSA-N 352.394 2.352 0 40 FEAB C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1S(C)(=O)=O 10324049 LBEGFRHYPNEYIC-AWEZNQCLSA-N 358.463 2.370 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2N)cc1 3406248 GYTBEMCTDABZLJ-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)c1ccccc1 3596781 FQUSTWWAEZNMGT-QAPCUYQASA-N 365.433 2.417 0 40 FEAB Cc1ccc(NC(=O)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)C 12982404 LWTNXQWFEAIGIP-UHFFFAOYSA-N 351.428 2.031 0 40 FEAB CCN1CCN(c2cc(CNC(=O)COc3ccc(F)cc3)ccn2)CC1 64417256 GFZCNDAGHPUIHF-UHFFFAOYSA-N 372.444 2.058 0 40 FEAB Cc1nc2ncc(C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2[nH]1 96011178 JVIHZFSSXKSAHH-UHFFFAOYSA-N 371.422 2.059 0 40 FEAB COC(=O)CCN(Cc1cc(=O)oc2cc(C)ccc12)CC(OC)OC 96007163 YMGFSWRHXPEMQK-UHFFFAOYSA-N 363.410 2.085 0 40 FEAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1 9238696 OFVRLJSGYGIOPS-CVEARBPZSA-N 373.482 2.367 0 40 FEAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1ccc2c(c1)OCCO2 9484265 SVDNJQZDMWZLGE-UHFFFAOYSA-N 374.788 2.218 0 40 FEAB O=C(CCc1c[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O 6993138 OGZJWQDQXBAFBU-UHFFFAOYSA-N 354.410 2.386 0 40 FEAB O=C(CN1CCCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7781977 HCYPLRGEKVTYJN-UHFFFAOYSA-N 365.499 2.286 0 40 FEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)c1cccs1 8231397 CTCBADUYECCRCQ-ZDUSSCGKSA-N 356.407 2.161 0 40 FEAB NC(=O)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 8316247 QLFFBUQOFFYIGO-UHFFFAOYSA-N 364.405 2.141 0 40 FEAB O=C(Cc1cn2ccccc2n1)NCc1cccc(CN2CCOCC2)c1 71821260 YUXOXVGUDJBMHS-UHFFFAOYSA-N 364.449 2.025 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2cccnc2)cs1 8721002 SWESRQMZEQIXIJ-UHFFFAOYSA-N 371.422 2.008 0 40 FEAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8707399 JYPFROQRARNFDI-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB Cc1ccnc(SCc2nc3cc(NS(C)(=O)=O)ccc3n2C)n1 8992907 WOTSBNHWUSCNBP-UHFFFAOYSA-N 363.468 2.336 0 40 FEAB CCNC(=O)c1cc(N2CCCN(C(=O)c3ccsc3)CC2)ccn1 95956594 QGMLBRFWHWLPBM-UHFFFAOYSA-N 358.467 2.245 0 40 FEAB NC(=O)C1CCN(c2nc(Cl)nc3c2cnn3-c2ccc(F)cc2)CC1 67172375 ZBJFWCDSXIKXLT-UHFFFAOYSA-N 374.807 2.310 0 40 FEAB COc1ccccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 306143760 YLLZDHLQHJBZSA-FRQCXROJSA-N 356.422 2.165 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1C 408609834 SDVQCLDZYCLVIR-ZDUSSCGKSA-N 354.472 2.119 0 40 FEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c1 409001394 ICZMRVQOONAMNP-FZMZJTMJSA-N 366.414 2.013 0 40 FEAB CCOc1ccc(CNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 408707669 QHUBLMUCDLKJTI-UHFFFAOYSA-N 361.486 2.127 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 218393210 TWABFINPXPMDFF-DLBZAZTESA-N 364.898 2.492 0 40 FEAB COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1O 560610380 YBSMKUJNFJCPMW-UHFFFAOYSA-N 366.421 2.466 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358776 ALEVSMVBGOBYMM-CQSZACIVSA-N 364.446 2.269 0 40 FEAB CCn1nc(C)c2c(C(=O)Nc3c(C(=O)OC)nn(C)c3C)cc(C)nc21 72250737 HFEVCSHMSGEMSS-UHFFFAOYSA-N 370.413 2.149 0 40 FEAB COCCNC(=S)Nc1nc(Cl)cc(Sc2ncccn2)n1 225899932 YXXYNLMEPYNWKO-UHFFFAOYSA-N 356.864 2.004 0 40 FEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1 222703775 SBCNHJNRQTZNQF-AWEZNQCLSA-N 362.451 2.166 0 40 FEAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 225218484 FJCWORYMACDBFL-YGRLFVJLSA-N 360.863 2.028 0 40 FEAB CN(C(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 226062738 ZOVBJLPWIXONTE-UHFFFAOYSA-N 350.415 2.250 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 96039554 UNVCUNIJZAQXAC-APWZRJJASA-N 350.459 2.178 0 40 FEAB Cc1cccc(NC(=O)N2C[C@@H]3OCCN(c4ncc(F)cn4)[C@@H]3C2)c1 96248852 UITOYPCWXLGILI-CVEARBPZSA-N 357.389 2.046 0 40 FEAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cc4C)C[C@H]3O2)n1 96218126 IKIZVTCSGBKVHK-USXIJHARSA-N 359.401 2.227 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)no1 96106901 BJYVIARBPKNBDH-MRXNPFEDSA-N 357.410 2.359 0 40 FEAB Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)Cc3ccsc3)C2)n1 90592033 UGSGNSFJQAVEIJ-AWEZNQCLSA-N 369.450 2.439 0 40 FEAB Cc1nnc(N2CC[C@H]3OCC[C@@]3(COc3ncccc3F)C2)s1 96219212 LHXMLJBHEXLBLW-CJNGLKHVSA-N 350.419 2.445 0 40 FEAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccoc1)C2 96050133 AKOUPXIHQDLUSE-FQEVSTJZSA-N 353.422 2.119 0 40 FEAB Cc1ccc(C(=O)N2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)o1 96062448 TXYHWVBLMLBYQZ-SFHVURJKSA-N 361.467 2.409 0 40 FEAB CSCC[C@@H](C(=O)Nc1cc(C)[nH]n1)n1c(O)nc2ccccc2c1=O 524733134 YAVPCTVFVSCBBC-ZDUSSCGKSA-N 373.438 2.067 0 40 FEAB COCC(=O)N1[C@H](c2cccc(OC)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 257341525 ZKSDOALAOYNYGO-ZWOKBUDYSA-N 360.454 2.433 0 40 FEAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257291582 QHQAFJPFSBTCEV-CYBMUJFWSA-N 358.467 2.335 0 40 FEAB Cc1ncsc1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257300296 RTTSFDDESDJJLM-UHFFFAOYSA-N 359.499 2.398 0 40 FEAB COC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)on1 590874691 CCEOETRHDDOXOG-AWEZNQCLSA-N 357.410 2.055 0 40 FEAB CCn1c(C)cc(C(=O)N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)c1C 1775957523 YWANWBKPTQGSIH-ZBFHGGJFSA-N 357.458 2.265 0 40 FEAB CCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1cccc(C(N)=O)c1 657350496 BNGFDJRDQGVVJK-PKOBYXMFSA-N 356.470 2.302 0 40 FEAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 47406827 UODCXAQURKLXRW-HUUCEWRRSA-N 352.500 2.268 0 40 FEAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)Cc2noc3ccccc23)C1 96103421 PETCEGYZBCJJMD-LBPRGKRZSA-N 350.440 2.185 0 40 FEAB O=C(NCc1ccc(F)cc1)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549160851 BMKUPFXUUHLVIS-UHFFFAOYSA-N 369.396 2.454 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1Cl 13006984 CXTDPRVVZJLNEC-CYBMUJFWSA-N 374.890 2.279 0 40 FEAB Cn1c(=O)c(C(=O)NCCCOc2ccccc2F)nc2ccccc21 19715031 ZKFIQKDTTLWKPX-UHFFFAOYSA-N 355.369 2.272 0 40 FEAB O=C(COc1ccccc1)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888866586 WRWKXVZYTQVGOJ-UHFFFAOYSA-N 351.328 2.484 0 40 FEAB COc1ccc([C@H](CNC(=O)c2c(C)noc2C)N2CCOCC2)cc1 23995225 KBZKSVURRNYMFY-KRWDZBQOSA-N 359.426 2.103 0 40 FEAB CC(=O)c1cc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)n[nH]1 1565556247 ZVPOKCKHUZPPOT-UHFFFAOYSA-N 367.434 2.372 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2nncn2-n2cccc2)c1 5223875 RRNUUXBHZBEAAB-UHFFFAOYSA-N 359.411 2.139 0 40 FEAB O=C(c1ccco1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694058 BDOPPPMIEFRMHG-UHFFFAOYSA-N 371.368 2.146 0 40 FEAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]1C(=O)O 214631537 KFRRDHBQRJQRRO-UONOGXRCSA-N 364.398 2.375 0 40 FEAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc(C)cc1)C(=O)O 5257675 IMNVVVNEHLXAML-QGZVFWFLSA-N 371.437 2.487 0 40 FEAB O=C(NCC1CCN(c2cnccn2)CC1)c1ccc(Br)o1 70930486 FPLIWLGNWMFNLY-UHFFFAOYSA-N 365.231 2.479 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)c1cccs1 32975337 AEYIDUMYLMCXEL-CYBMUJFWSA-N 358.419 2.398 0 40 FEAB CCOC(=O)N1CCc2c(sc3nc4n(c(=O)c23)N=C(C)CS4)C1 642552 UCDNGUQDFXXAKX-UHFFFAOYSA-N 364.452 2.302 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CC1)[C@H]1C=C[C@H]2C1 104083602 WJZMVVFEUOEOTO-LSOMNZGLSA-N 368.408 2.124 0 40 FEAB Cc1cc2n(C[C@@H](O)COCc3ccco3)c(=O)c3ccccc3n2n1 22966207 MZLNUFMLXDVJGH-CQSZACIVSA-N 353.378 2.128 0 40 FEAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1C[C@H]2C=C[C@H]1C2 104975150 GYZZXBYMCKYMQC-PZZVHSPESA-N 369.446 2.446 0 40 FEAB Cc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c(-n2cnnn2)c1C 71280391 QDSBNOYXYYAWNH-GFCCVEGCSA-N 371.426 2.234 0 40 FEAB Brc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1 1389289 VXGJRZLONUTTGB-UHFFFAOYSA-N 360.215 2.390 0 40 FEAB COc1ccc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F 3515956 YDCWVQXGCFCYJO-UHFFFAOYSA-N 373.789 2.492 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c(OC)c1 6931749 WEVSXDOYFRJSHO-GFCCVEGCSA-N 364.423 2.009 0 40 FEAB Cc1cc(/C=C(\C#N)C(=O)NC(N)=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961861 JULXLOXPFYGMOV-MDWZMJQESA-N 353.338 2.104 0 40 FEAB COC(=O)c1cc(NC(=O)c2c(C)cc(=O)oc2C)cc(C(=O)OC)c1 7989444 GZPGJOPNBKZDEN-UHFFFAOYSA-N 359.334 2.082 0 40 FEAB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)O 2091767 NYJXDEFJAKVHJE-IAQYHMDHSA-N 361.394 2.492 0 40 FEAB biogenic O=C(NCCN1CCc2ccccc21)c1cccc(N2CCNC2=O)c1 58192528 PZXVIYDNSYMQMU-UHFFFAOYSA-N 350.422 2.009 0 40 FEAB CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 58215648 ZBGNKOXZDBBAHZ-VQTJNVASSA-N 357.498 2.416 0 40 FEAB CCc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20111843 NQKLPJJNDPWWJU-KRWDZBQOSA-N 360.435 2.415 0 40 FEAB COc1ccc(C(=O)NC[C@]2(COc3ccccc3)C[C@H](O)[C@H](O)C2)cc1 107430580 IOLRVFFKMXBPBR-CEQLMSFQSA-N 371.433 2.006 0 40 FEAB biogenic,in-vitro CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)cc1 2631259 ZEZKQWPBZGGPEQ-UHFFFAOYSA-N 363.351 2.307 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4cncn4C)CC3)CC2=O)n1 108528431 HKKYBRCSNOZDDG-UHFFFAOYSA-N 353.470 2.138 0 40 FEAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)cnn1C 101510104 GLOLZFARZHROEH-FUHWJXTLSA-N 360.373 2.174 0 40 FEAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@@H](c2ccc(F)cc2)C1 48133240 CPYRQRDSQBQUFJ-MRXNPFEDSA-N 368.372 2.407 0 40 FEAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2 12785531 FTTXTJZQZGMBDD-UHFFFAOYSA-N 358.419 2.448 0 40 FEAB COC[C@@H](C)Nc1cnn(-c2ccccc2C(=O)OC)c(=O)c1Cl 48314384 AZPIUBIKGCSVRL-SNVBAGLBSA-N 351.790 2.119 0 40 FEAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1 12822845 XAPHPWKQVFMWOT-UHFFFAOYSA-N 351.453 2.185 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 28195575 VIMUAMHMCFHLEA-UHFFFAOYSA-N 363.391 2.354 0 40 FEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 9113434 KYWTXOLSBOMFLH-UHFFFAOYSA-N 363.391 2.451 0 40 FEAB Cc1ccc(F)cc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12972817 MHPPXEUFEGTKSQ-UHFFFAOYSA-N 361.398 2.201 0 40 FEAB COc1ccccc1-n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 5016887 JSMDAECMUGAJIV-LLVKDONJSA-N 355.419 2.360 0 40 FEAB COc1ccc(-c2noc(CCC(=O)NCc3ccccn3)n2)cc1OC 39996824 BUPOCXFFSWPQKI-UHFFFAOYSA-N 368.393 2.398 0 40 FEAB Cc1cc(C)n(-c2ccc(C(=O)NCC(=O)NCc3ccco3)cc2)n1 14181794 ZCJRMGGEUSPEPW-UHFFFAOYSA-N 352.394 2.128 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NCc1ccccc1 4581744 BCACJNYLELCUCH-UHFFFAOYSA-N 356.403 2.204 0 40 FEAB O=C(NCCCn1ccnc1)/C(=C/c1ccco1)NC(=O)c1ccco1 4677821 AUSJDCOUGIIBBY-QINSGFPZSA-N 354.366 2.047 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1 4696397 KVNLEZPHHQZZPP-UHFFFAOYSA-N 366.483 2.155 0 40 FEAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 6733510 CYQNDFKFQYHNHA-UHFFFAOYSA-N 353.426 2.095 0 40 FEAB Cc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2)cn1 4985670 QYMVNKKQTLUYLW-UHFFFAOYSA-N 361.829 2.359 0 40 FEAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1 15306648 JITNPYFWNNRYBK-SNVBAGLBSA-N 369.343 2.272 0 40 FEAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2cc(=O)n3ccccc3n2)cc1 15748365 OEJCZRVFJSPSSK-AWEZNQCLSA-N 366.373 2.408 0 40 FEAB Cn1nnnc1S[C@H](C(=O)Nc1ccccc1C(=O)O)c1ccccc1 19957094 IMHBZEWMEWLJIZ-AWEZNQCLSA-N 369.406 2.380 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 69782514 KJCKWOBOHAFVMS-FZKQIMNGSA-N 362.451 2.218 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccncc2)c1 306135102 OHYSGRFLDFDZPS-SFHVURJKSA-N 353.422 2.233 0 40 FEAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1CC(=O)N(C)C 95999905 YBSXIEHLCHCIMJ-KRWDZBQOSA-N 360.433 2.090 0 40 FEAB CCCCC[C@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)C(=O)O 95989694 VHEKBMBNFAQOBI-AWEZNQCLSA-N 356.444 2.212 0 40 FEAB CN(C)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 60357897 COPFMTMYANNROT-UHFFFAOYSA-N 373.478 2.158 0 40 FEAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCC(C)C 33658138 AXQTZEYWQACEDR-UHFFFAOYSA-N 370.515 2.470 0 40 FEAB CCC(=O)c1ccc(OCC(=O)Oc2cc(OC)ccc2C(N)=O)cc1 32987932 GHLJPJLFAIBMOA-UHFFFAOYSA-N 357.362 2.371 0 40 FEAB CCOc1cc(C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)ccc1OCC(=O)O 565032711 LEPXJJQHRXESFB-KGLIPLIRSA-N 363.410 2.046 0 40 FEAB Nn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccccc2c1=O 71768143 KDAUURSBJGNDQL-INIZCTEOSA-N 366.446 2.006 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(C#N)cc3)C2=O)o1 33637314 ZIRHHLUJTVNXQA-ZSOIEALJSA-N 351.318 2.031 0 40 FEAB Cn1cccc(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1=O 238880342 PCCVMOFVQBFFOD-UHFFFAOYSA-N 357.479 2.110 0 40 FEAB CCc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 223927831 KPXBDSQOOJZELA-UHFFFAOYSA-N 362.451 2.429 0 40 FEAB CCc1nn2c(ncc3c(=O)n(CCO)ccc32)c1-c1ccc(F)cc1 40396710 HEPNFDJYSJYDKV-UHFFFAOYSA-N 352.369 2.405 0 40 FEAB CC(=O)c1cn(CC(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 331572585 HSRWNFPXXHJDPI-KBXCAEBGSA-N 356.426 2.086 0 40 FEAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(F)cc2)n1 225948968 SNHYVCPYUAHBLU-UHFFFAOYSA-N 361.446 2.247 0 40 FEAB CCc1oc(C(=O)N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)cc1C 578765546 GFUHVSGKNGJWHU-AWEZNQCLSA-N 353.426 2.828 0 40 FEAB COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 96111126 OMGBKPBETHAEOE-KRWDZBQOSA-N 350.434 2.102 0 40 FEAB CCc1ccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)cc1 96253025 KIFLMHNHYPYQSF-FGTMMUONSA-N 357.454 2.396 0 40 FEAB COc1ccc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1 96259583 OZLGWSAKRMRYDF-UHFFFAOYSA-N 369.469 2.319 0 40 FEAB O=C(CC1CCCC1)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O 257214312 CLNXMQCOIHIJIN-FPAYPSAMSA-N 351.418 2.154 0 40 FEAB CCn1cc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)c(C)n1 257280117 OJMMNNNLTZAXSK-SFHVURJKSA-N 355.442 2.220 0 40 FEAB CN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CCC12CCOCC2 1775960983 XBAURWVUYCRLBA-UHFFFAOYSA-N 360.483 2.465 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@H]1CCCS(=O)(=O)C1 629621204 JESGVOXKAUCAEA-NSHDSACASA-N 372.849 2.444 0 40 FEAB O=C1NCCC[C@@H]1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1 661309602 BCARJZLNKXASRA-MRXNPFEDSA-N 357.454 2.082 0 40 FEAB Cc1ccc(CN2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)s1 585103283 APBPMUKTEPMLKF-AWEZNQCLSA-N 370.540 2.119 0 40 FEAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3cc(C)oc3C)CC2)C1 585103610 PVFVXQKATKLPQM-QGZVFWFLSA-N 364.486 2.343 0 40 FEAB CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C)c3ccccc3C2)c1 69088562 IDUMTRNIPGPMHR-HNNXBMFYSA-N 366.465 2.325 0 40 FEAB CCNC(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44098354 DAXRRSNJHBVVPO-UHFFFAOYSA-N 370.335 2.002 0 40 FEAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)C1 40132898 LHQOCLUHYIMAFW-CQSZACIVSA-N 352.456 2.012 0 40 FEAB COc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)noc3C)CC2)c1 55699801 WLFJQQKZYVWGGE-UHFFFAOYSA-N 371.437 2.217 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCc2ccccc2C1 11036117 GISDRKUBNAHTLV-UHFFFAOYSA-N 358.463 2.395 0 40 FEAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O 19168458 SWKDOMTZLKUFNX-BJBLRFPOSA-N 374.393 2.088 0 40 FEAB O=C(Cc1ccccc1F)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 19348157 JHVQUOSZMITKHD-OAHLLOKOSA-N 366.400 2.108 0 40 FEAB O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccncc3)CC2)no1 19405183 DZSXRBQBRBVTQZ-QGZVFWFLSA-N 370.453 2.358 0 40 FEAB COc1cc(C)c(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1C 19567413 PYKVFEIHAXKTLT-UHFFFAOYSA-N 351.472 2.483 0 40 FEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC3)nnc12 1331769 MLIZPQHAAFZXQQ-UHFFFAOYSA-N 371.466 2.169 0 40 FEAB O=C(C[S@](=O)CC(=O)Nc1ccc(Cl)cc1)NCc1cccs1 35290123 WUNHAHDFRDKVBM-HSZRJFAPSA-N 370.883 2.405 0 40 FEAB CC(C)NC(=O)CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1 35312704 UXUGDDXUYPURIY-LBPRGKRZSA-N 350.444 2.334 0 40 FEAB Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC(CCCn2ccnc2)CC1 671539480 MDXYNYQRPGILDX-QZTJIDSGSA-N 371.485 2.413 0 40 FEAB CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](/C=C/C(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12 252506081 OZESVNMBZAEFCX-FYYDPQBGSA-N 354.443 2.133 0 40 FEAB biogenic,in-vitro COc1ccc(CCNC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 575415658 MWCMGKPCUSPAHN-GOSISDBHSA-N 361.486 2.038 0 40 FEAB O=C1CN(C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc2N1 3598752 DHIUBGSSWTWQGA-UHFFFAOYSA-N 350.330 2.157 0 40 FEAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 3510822 XEXJFAMASYDYCY-UHFFFAOYSA-N 358.369 2.458 0 40 FEAB Cc1cccn2cc(COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)nc12 14674778 WWFIBXSLRIQHCM-CYBMUJFWSA-N 363.373 2.371 0 40 FEAB O=C(CC1(O)CCC1)N1C[C@@H]2C[C@@H](COc3cncc(Cl)c3)O[C@@H]2C1 1565554263 WFKGOFBNBSVWIU-VBNZEHGJSA-N 366.845 2.035 0 40 FEAB CC(C)CCSc1nc(CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 4341197 HJCDSJCJJYXOPY-UHFFFAOYSA-N 350.488 2.364 0 40 FEAB COc1ccc(CNC(=O)NC[C@](C)(O)c2cccs2)cc1OC 75156110 UCQKIAAWXWMTGG-KRWDZBQOSA-N 350.440 2.472 0 40 FEAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccccc1 6818929 VQADERJVDVJJQI-CQSZACIVSA-N 361.467 2.301 0 40 FEAB COc1cc(CNC(=O)Cn2nc(C)cc2C)ccc1OC[C@@H]1CCCO1 40106782 PBPOMUIHYZGOHG-KRWDZBQOSA-N 373.453 2.383 0 40 FEAB COc1ccc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 31095277 ZFXOEKIAOTUYGM-KRWDZBQOSA-N 351.472 2.025 0 40 FEAB C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 32841810 DLCHFXXOLTYCPC-QAPCUYQASA-N 362.433 2.444 0 40 FEAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccccn1 32941778 YFWZKYYPKJBMJF-UHFFFAOYSA-N 355.423 2.476 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(NS(C)(=O)=O)cc1 23232403 KDMBZRPMQFBFIB-CHWSQXEVSA-N 368.455 2.004 0 40 FEAB Cc1ccn(CCCNC(=O)[C@H](C)n2cc(Br)c(C)n2)n1 2786410 GHHCKGYJIAJJDP-LBPRGKRZSA-N 354.252 2.226 0 40 FEAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(N2CCCCC2)nc1 25064749 CQEIOQVAOKROOH-UHFFFAOYSA-N 368.437 2.206 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)C1 6680918 DCRIPFQANUAYCZ-JTQLQIEISA-N 355.441 2.409 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1 6817849 YAHKFQYCIUDLCQ-UHFFFAOYSA-N 374.875 2.474 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncnc3ccsc23)CC1 25677090 HALPJZSWALHUMU-UHFFFAOYSA-N 368.418 2.382 0 40 FEAB CCOCCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10331884 VAFYVLKIORKCFN-HNNXBMFYSA-N 356.488 2.001 0 40 FEAB COc1cc2c(cc1OC)-c1cc(NCCCCCCN)nc(=O)n1CC2 2127207 YISOZQROOYKWJB-UHFFFAOYSA-N 372.469 2.415 0 40 FEAB biogenic Cc1ccc(N2C(=O)CN(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 11903764 YLIOIZAELPBLLF-RBUKOAKNSA-N 370.474 2.322 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12068272 RWFPOGFJRZYMEI-UHFFFAOYSA-N 373.434 2.355 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC3CCCCC3)C2=O)cc1 3461633 AYDILMVVZBCLFN-FQEVSTJZSA-N 357.454 2.459 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 13001619 TWGMJSHJWCVUKA-JTQLQIEISA-N 366.361 2.195 0 40 FEAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 13039010 SBBJIOXCFKOSDL-XHSDSOJGSA-N 365.905 2.486 0 40 FEAB Cc1ccc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1C 13164274 FSJXKYWCRSGJPG-UHFFFAOYSA-N 356.361 2.340 0 40 FEAB O=C(Nc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9226781 GKZDWNLWHXUGOR-SFHVURJKSA-N 367.405 2.203 0 40 FEAB CCn1cc(C(=O)NCCc2ccco2)c(=O)c2cc3c(cc21)OCO3 13690473 MFFRMKNNSZPPLG-UHFFFAOYSA-N 354.362 2.316 0 40 FEAB Cn1c(CCCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(N)ccc21 13734989 IUPUYLQMBLHLCI-GOSISDBHSA-N 366.421 2.044 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1C 5212110 NJASBFUWSOVPKJ-LBPRGKRZSA-N 358.394 2.452 0 40 FEAB Cn1c(=O)c2cc(C(=O)Nc3cnc4ccccc4c3)ccc2n(C)c1=O 4708837 FRNPHLWURKHDGX-UHFFFAOYSA-N 360.373 2.038 0 40 FEAB O=C(NCc1ccc(COCCO)c(F)c1)C1=NO[C@@H](c2ccccc2)C1 84525327 SRZHLXTYWLQRDY-LJQANCHMSA-N 372.396 2.468 0 40 FEAB O=C(c1cccc2c1OCCO2)N1CCN(c2ccc(Cl)cn2)CC1 67067640 GWBIBWBNAKICAO-UHFFFAOYSA-N 359.813 2.469 0 40 FEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc21 6936723 CIUQEYIMNDDIFR-UHFFFAOYSA-N 359.769 2.212 0 40 FEAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 6945562 KIJKMITWOWPRCB-UHFFFAOYSA-N 366.373 2.332 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)N1CCCC1 95350903 MDGLWPIWZMZYAT-ZDUSSCGKSA-N 355.485 2.468 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1COc2ccccc2O1 7842437 DKWWCLAIRKTHNS-INIZCTEOSA-N 360.435 2.053 0 40 FEAB CC(=O)c1c[nH]c(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 72033209 VYTPGZVSMOBUQR-ZDUSSCGKSA-N 370.327 2.406 0 40 FEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccs2)cc1 8735572 WNDJCNAORIOKJT-LBPRGKRZSA-N 368.480 2.164 0 40 FEAB CCN1CCC[C@H]1CNC(=O)Nc1sc2c(c1C(N)=O)CCCC2 8755501 AXLQJBUXJAMOFZ-NSHDSACASA-N 350.488 2.332 0 40 FEAB CCCNC(=O)CN(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 9791401 LAOCZZPCWBPQFY-SFHVURJKSA-N 363.458 2.323 0 40 FEAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1CCCO 8867624 XABPSDISIHZMEI-QGZVFWFLSA-N 351.358 2.426 0 40 FEAB COc1ccc(-c2nc([C@@H]3CN(c4nccc(OC)n4)CCO3)no2)cc1 95999717 ZJDVNDDNGZICLV-AWEZNQCLSA-N 369.381 2.122 0 40 FEAB Cc1cc(Br)oc1C(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O 76042518 BTJNZHUELCXLGI-VHSXEESVSA-N 364.261 2.388 0 40 FEAB COc1cccc(N2Cc3nc(=O)n(Cc4ccccc4F)n3C2=O)c1 32091238 WLHFBRZWRBKPPR-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903561 IEBHTFSIHZRTCT-RMKNXTFCSA-N 361.405 2.494 0 40 FEAB CN1CCC[C@H](NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1=O 533217668 JPBAFSIQVWGXOX-KRWDZBQOSA-N 351.406 2.034 0 40 FEAB CN(C)c1cncc(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2)n1 534653363 BTFYVWDQIRUESN-GOSISDBHSA-N 351.454 2.034 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)n2ncnc2n1 35313388 YZBPZBMGGTYUEN-CYBMUJFWSA-N 354.389 2.427 0 40 FEAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC[C@H](O)C2)C1 72396053 VGDHYFVFBYCOHX-CVEARBPZSA-N 356.470 2.246 0 40 FEAB COCCn1cc(C(=O)N2CCN(C3CC3)c3ccccc32)c(=O)cc1C 568890425 VPYJDZDLKPSQOG-UHFFFAOYSA-N 367.449 2.432 0 40 FEAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)NC1CC1 44900417 DTURJXVYXFVPAB-UHFFFAOYSA-N 358.467 2.004 0 40 FEAB Cc1nc2nc3ccn(CCCO)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398345 YNLYQKMSSPSGQM-UHFFFAOYSA-N 369.812 2.450 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181372 OTORJVSCRFKQBZ-HKUYNNGSSA-N 372.465 2.316 0 40 FEAB CC(C)Cn1nc(CC(=O)NCc2ccccn2)c2ccccc2c1=O 95477031 LIDFFJYNTLXFQM-UHFFFAOYSA-N 350.422 2.306 0 40 FEAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 96183246 BFDXLXTTZUYWBM-UHFFFAOYSA-N 362.455 2.458 0 40 FEAB O=C(CO[C@@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 96208530 FDDYCVFBORDOSY-WMZOPIPTSA-N 350.484 2.121 0 40 FEAB O=C(Nc1nc2n(n1)CCCC2)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 333746925 YXMCHMGLAMFKCT-ZACQAIPSSA-N 367.453 2.651 0 40 FEAB O=C(c1ccsc1)N1CCOC2(CCN(C3CCOCC3)CC2)C1 96158920 WYBZBFJMPWSFFG-UHFFFAOYSA-N 350.484 2.234 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@H](Oc4ncccc4F)CCO3)C2)n1 248088068 KUPZOLQTFHPTRZ-CQSZACIVSA-N 357.385 2.377 0 40 FEAB O=C(NCC[C@@H]1CN(C2CCCC2)Cc2ccnn2C1)c1cccnc1 247469206 DTTTZWGVKXDREI-MRXNPFEDSA-N 353.470 2.473 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)c1 248118847 JLAMOXCRLKJEQX-KRWDZBQOSA-N 366.465 2.400 0 40 FEAB Cc1cc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c2c(C)noc2n1 257337244 YRZUIYMFCGTQFW-HNNXBMFYSA-N 353.382 2.152 0 40 FEAB CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)c1 257327164 XAGRMJDYPOFELX-KRWDZBQOSA-N 353.488 2.468 0 40 FEAB Cc1ccn(CCC(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)n1 257246382 ITXGQCWKZLIJOE-OAHLLOKOSA-N 354.414 2.084 0 40 FEAB Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cn1 618929936 NLFQJCQQUHODGW-NVXWUHKLSA-N 367.453 2.305 0 40 FEAB C[C@H]1COc2ccccc2CN1C[C@@H](O)COc1ccc(C(=O)O)cc1 652443295 RPSVTCAKUIOGJK-WMLDXEAASA-N 357.406 2.408 0 40 FEAB CC(C)C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 565600053 JYHVOGCFPBEICX-HNNXBMFYSA-N 374.890 2.146 0 40 FEAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)C1CCC1 585098590 VCLATFDONNSESI-CYBMUJFWSA-N 356.426 2.038 0 40 FEAB CO[C@H]1CN(C(=O)c2cc(O)nc(C)n2)CC[C@@H]1Cc1ccc(F)cc1 585279945 UDIPSVKBGUZPNV-PBHICJAKSA-N 359.401 2.350 0 40 FEAB COC(=O)c1ccc(COC(=O)C[C@@H](NC(C)=O)c2cccs2)o1 37136565 JXSOGLKPYQUYIN-GFCCVEGCSA-N 351.380 2.438 0 40 FEAB COC(=O)Nc1cccc(NC(=O)CCNC(=O)OCC(F)(F)F)c1 57226743 AYCKWTXKKFECTR-UHFFFAOYSA-N 363.292 2.482 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1 58246570 MQCDVUXIBVYCOK-INIZCTEOSA-N 354.414 2.068 0 40 FEAB COc1ccnc(N2CCN(Cc3c(C(=O)O)oc4ccccc34)CC2)n1 652387735 PJOBJYHQYQNDGB-UHFFFAOYSA-N 368.393 2.252 0 40 FEAB COCCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 5043522 MXLIRWZBNJHXAC-UHFFFAOYSA-N 354.288 2.384 0 40 FEAB CN(C)c1nc2c(c(N3CCC[C@@H](O)C3)n1)CCN(Cc1ccccc1)C2 12142747 KJKVZDKEJNPUBR-QGZVFWFLSA-N 367.497 2.062 0 40 FEAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 12992802 SJNQCRPMOORLJZ-FQEVSTJZSA-N 365.389 2.243 0 40 FEAB biogenic Cc1cc(-c2cc3nc(C)c(C)c(N4CCC(C(N)=O)CC4)n3n2)no1 13225836 HBVGSYVYWZANBE-UHFFFAOYSA-N 354.414 2.011 0 40 FEAB Cc1ccc(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1 18023215 GOQKZGTYGUYPLF-UHFFFAOYSA-N 359.426 2.214 0 40 FEAB CCN(CC)c1nc([C@H]2CC(=O)N(c3ccccc3OC)C2)cc(=O)[nH]1 19526508 FRJREMSBOVFCQL-ZDUSSCGKSA-N 356.426 2.145 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c1 5086308 CZMXIVJJQVEXDS-UHFFFAOYSA-N 372.373 2.444 0 40 FEAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)NC1CC1 6636873 QJSPKQWUSQSEKK-UHFFFAOYSA-N 373.796 2.423 0 40 FEAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6881620 MDBHHCPKNINLGH-UHFFFAOYSA-N 355.350 2.050 0 40 FEAB CC(C)n1c(N2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)nc2ccccc21 1888881694 CQCIJNJQBKVCNM-HUUCEWRRSA-N 374.510 2.477 0 40 FEAB O=C(c1ccc2nccn2n1)N1CCN(c2nsc3ccccc23)CC1 1889239970 IMBXVLDKPNTNFG-UHFFFAOYSA-N 364.434 2.301 0 40 FEAB CN(CC(=O)N1CC[C@](O)(COc2ccc(F)cc2)C1)C1CCCC1 2037937576 IAEQDWQFDCIGMX-LJQANCHMSA-N 350.434 2.042 0 40 FEAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2037938495 JGVKHHZFLVEYGN-FQEVSTJZSA-N 373.453 2.470 0 40 FEAB CC(C)N1CCCC[C@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1=O 2037985217 BQWKBCCRFKHZLJ-FQEVSTJZSA-N 362.445 2.387 0 40 FEAB CN(C)C(=O)[C@@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226357 PRCDXRJAXQUSEK-DOTOQJQBSA-N 372.387 2.154 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 5194801 FIAKSHWWFWVONK-AWEZNQCLSA-N 370.405 2.248 0 40 FEAB CCCCN1C(=O)N[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 9419899 SNNPMTDNUKAKTB-INIZCTEOSA-N 371.359 2.346 0 40 FEAB COc1ccc(CCS(=O)(=O)NC[C@](O)(c2ccco2)C2CC2)cc1 75154971 MGUKSADJUANJKO-GOSISDBHSA-N 365.451 2.048 0 40 FEAB Cc1ccccc1CN1CCCN(C(=O)CN(C)C(=O)c2ccco2)CC1 40089094 VCDXWRUUKXFDSI-UHFFFAOYSA-N 369.465 2.395 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 30656869 DPSGYYIJMWQIRK-UHFFFAOYSA-N 369.446 2.265 0 40 FEAB CCn1nnnc1SCC(=O)NC[C@H](C)c1nc2ccccc2s1 50247625 ZZRARWZPVIPDCF-JTQLQIEISA-N 362.484 2.315 0 40 FEAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40283695 RDZYOIHUZRHOAF-OAHLLOKOSA-N 363.377 2.255 0 40 FEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccc3c(c2)OCO3)C1=O 20332788 PCDPJLVUTDQZOM-DTQAZKPQSA-N 373.409 2.048 0 40 FEAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(F)c1)CC(=O)N2 31811400 PJZARCJPQZWOEU-GFCCVEGCSA-N 363.356 2.460 0 40 FEAB Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)o1 51463609 FIXSYPXPBKTLJE-UHFFFAOYSA-N 352.394 2.499 0 40 FEAB Cc1cccc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)c1 32322813 YDYGDOAGKVPJKO-UHFFFAOYSA-N 355.375 2.390 0 40 FEAB CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1OC 32819617 DOYREGFZUNZOQS-INIZCTEOSA-N 354.406 2.146 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)OCc2c(F)cccc2Cl)n(C)c1 32850543 CJDAOTVNDVKYJS-UHFFFAOYSA-N 360.794 2.083 0 40 FEAB O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(C[C@@H]2CCCO2)CC1 22038575 SVHIHORYHJCBMG-MOPGFXCFSA-N 368.905 2.014 0 40 FEAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 647800 FAKOWAJDNBQAFF-AWEZNQCLSA-N 362.451 2.166 0 40 FEAB Cc1ccc(F)c(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1 42105962 YVZBMZUKRLSZSR-UHFFFAOYSA-N 353.353 2.344 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 12574455 IDNOCQFGHJHVKL-GOSISDBHSA-N 364.384 2.210 0 40 FEAB Cc1ccccc1N1CCCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 77486902 KWBKXCHDRZXMHN-IBGZPJMESA-N 353.466 2.309 0 40 FEAB CCc1nnsc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 24738407 IABUMYFTVDPRDQ-UHFFFAOYSA-N 358.345 2.229 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)CCC4)nc2n1 3277187 JUMCCODUEZKOKY-UHFFFAOYSA-N 365.393 2.025 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1 4852992 HNFAPEUXCJXCBX-UHFFFAOYSA-N 356.407 2.486 0 40 FEAB CCOCCCNC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 4856307 YGIAJRHPGYTCMM-UHFFFAOYSA-N 373.482 2.460 0 40 FEAB Cc1cc(C(=O)NCCS(C)(=O)=O)cc(C)c1OCc1cccnc1 56880500 ITRRAWCCQMKZBO-UHFFFAOYSA-N 362.451 2.052 0 40 FEAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 108981150 SABXHYVPRAXLQH-ZQIUZPCESA-N 366.458 2.095 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1C 58190795 CMZIWVLSDRCRBG-UHFFFAOYSA-N 370.409 2.251 0 40 FEAB O=C(c1cnccn1)N(CCO)Cc1cc(Br)ccc1F 58209304 AMOPJHSVYMLPIL-UHFFFAOYSA-N 354.179 2.013 0 40 FEAB CN(C)C(=O)CN1CCN(Cc2ccccc2Oc2cccnc2)CC1 58266802 WDQCZQTUONWNJC-UHFFFAOYSA-N 354.454 2.080 0 40 FEAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926983 SIIFPKHMOHSVSK-CQSZACIVSA-N 350.802 2.077 0 40 FEAB C[C@H](NC(=O)CN1C(=O)[C@@H](C)[C@@H](C)C1=O)c1ccc(Br)cc1 175067584 IRXZEPJFEKWJDT-AXFHLTTASA-N 367.243 2.267 0 40 FEAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 102242048 SBRROHCUXMEHGV-SFHVURJKSA-N 371.387 2.419 0 40 FEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 22467038 LLEXKGNSUYMJSB-UHFFFAOYSA-N 368.389 2.183 0 40 FEAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)NCc2ccccn2)N=C1O 36589856 KPKZPVYKTLINSC-RHSMWYFYSA-N 366.421 2.364 0 40 FEAB Cc1cnc2c(S(=O)(=O)N3CCN(CC(F)(F)F)CC3)cccc2c1 29838079 PYHARGSCDUCIHP-UHFFFAOYSA-N 373.400 2.412 0 40 FEAB COc1ccccc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 108527153 VPUKUQHTCFVQTI-QGZVFWFLSA-N 361.486 2.480 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C 2621913 TWEYIUMNGLHZJK-UHFFFAOYSA-N 353.382 2.345 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 12630416 BVWIQTKOCNDRKH-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cnn(Cc2ccccc2)c1 48275153 ULGPGOZIWPHWKE-UHFFFAOYSA-N 359.393 2.468 0 40 FEAB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1)N1CCCC1 48289801 FSPKXOZLLJKPMM-KRWDZBQOSA-N 352.438 2.496 0 40 FEAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)C1CCCCC1 12791524 APAFWUXZMLLNFN-CXAGYDPISA-N 359.422 2.491 0 40 FEAB CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 48605534 NLXAZUZWHIHACM-QWRGUYRKSA-N 351.834 2.428 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccc(C(=O)O)cc1 13317210 HKJWLMWBYVHLAL-UHFFFAOYSA-N 356.403 2.140 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(N)cc(=O)[nH]3)c2C)no1 13598158 ZUCOBBNKBAOHTA-UHFFFAOYSA-N 359.411 2.031 0 40 FEAB CN(C)CCNC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 13624379 NFBINQJRMGSFSL-UHFFFAOYSA-N 350.422 2.451 0 40 FEAB C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H](c2ccccc2)O1 65474329 BTPQGMZRILNRJQ-RDTXWAMCSA-N 354.406 2.153 0 40 FEAB O[C@H](COCc1ccccc1)CN1CCC[C@H]1c1nnc2ccccn12 84962149 KXLZSTJSBZPIRO-ROUUACIJSA-N 352.438 2.444 0 40 FEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCCN2)sc(CC)c1C 14185476 DJDXVERCCZMRDO-LLVKDONJSA-N 368.455 2.029 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 7183103 OWKDNQAAAJGMHT-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB COc1ccc(-c2[nH]nc(C(=O)NCCc3c[nH]cn3)c2C)c(OC)c1 15919371 BJIMSEYZPNZJPW-UHFFFAOYSA-N 355.398 2.098 0 40 FEAB Cn1nc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3)C2)c2ccccc21 306128713 HIYMYWICPMMEGO-INIZCTEOSA-N 364.453 2.063 0 40 FEAB CC(C)CN1CC[C@@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@H]2C1 306143456 YCRWBSLOEXSKHO-SJORKVTESA-N 360.502 2.060 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)Nc3ncccn3)n2C)cc1 409166749 FUDAODVYDCAXIT-UHFFFAOYSA-N 356.411 2.012 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1F 409136146 STQXQCPBZHXZFG-ZDUSSCGKSA-N 356.353 2.361 0 40 FEAB CCN(CCNC(=O)CSc1nnc(N)s1)c1cccc(C)c1 8710445 SGLAKPVCQLUGMH-UHFFFAOYSA-N 351.501 2.164 0 40 FEAB CC(C)c1nnc(/C=C/C(=O)NCCCc2nnc3n2CCCCC3)o1 89893798 RRZONBUAMFHGIA-MDZDMXLPSA-N 358.446 2.273 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccccn2)c1 28779353 CJPCEHUPAFWZPX-HNNXBMFYSA-N 361.467 2.244 0 40 FEAB O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408493952 MLUPZFXPTKXJIY-GARJFASQSA-N 371.842 2.352 0 40 FEAB COc1ccc(CNc2nc3ncc4c(c3c(=O)[nH]2)CCCC4=O)cc1 38829478 HIHYQZCPVPZVFX-UHFFFAOYSA-N 350.378 2.458 0 40 FEAB Cn1cnc(-c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2)n1 503624957 FJEKDRPSLHSSSQ-UHFFFAOYSA-N 350.304 2.487 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1csc(-c2ccsc2)n1 32776545 LQZFSYUWEFENJQ-QMMMGPOBSA-N 353.425 2.263 0 40 FEAB CC(C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325310 XVJIATBHISIOBR-NSHDSACASA-N 353.469 2.109 0 40 FEAB COCCCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217653198 JDDFFVTVUWSCQB-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB CCOC(=O)n1nc(-c2ccccc2)nc1S[C@H]1CCS(=O)(=O)C1 217357956 OFSJYVDAUFDDQQ-LBPRGKRZSA-N 367.452 2.229 0 40 FEAB N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccnc3nccn23)C1 72360632 PILMTQFWRSNISG-DOTOQJQBSA-N 367.428 2.144 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217530355 OKAHHCAIZFSRJY-GFCCVEGCSA-N 370.471 2.443 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1 224053754 ILWPKBMCMCAMBC-UHFFFAOYSA-N 356.513 2.288 0 40 FEAB CCn1ccnc1CNC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 571622209 SMQVLHDKBVAXFY-LJQANCHMSA-N 354.410 2.223 0 40 FEAB C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837879 IBSLJRWPEMLWLH-OAHLLOKOSA-N 374.868 2.408 0 40 FEAB COc1cccc(CC(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)c1 85468252 CQJLYNWXQLDPKK-KRWDZBQOSA-N 359.514 2.112 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96220046 LNSZVIXGIYALOP-QUCCMNQESA-N 353.422 2.106 0 40 FEAB Cc1cc(CN2CCC3(CCOC[C@H]3COc3cnccn3)CC2)no1 96219122 GRIQGLVEQYPDHW-INIZCTEOSA-N 358.442 2.471 0 40 FEAB CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ncc(C)s3)=N[C@H]2S1 94992930 XCRYPPHAVPXVBF-ZANVPECISA-N 368.509 2.244 0 40 FEAB Cc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)s1 96056287 IACVTOQLSLRTFY-JLJPHGGASA-N 361.467 2.311 0 40 FEAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)CN(C)C)C3)cn2)n1C 257270469 MUIITTUKTDJEMA-KRWDZBQOSA-N 355.486 2.133 0 40 FEAB C[C@@]12CCCN(CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCN2 257228293 FTIDANSPCKGSSC-GHTZIAJQSA-N 369.513 2.218 0 40 FEAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257311781 UKZHMTMDGFWWMC-HOCLYGCPSA-N 357.410 2.077 0 40 FEAB COc1cc2nc(N3CC4(CCOCC4)C[C@@H]3C)nc(N)c2cc1OC 645382038 JTEFNKKIQQQDNZ-LBPRGKRZSA-N 358.442 2.625 0 40 FEAB Cc1nnc(CN(C)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)s1 661126164 LTZZSDCSSKEVQN-WFASDCNBSA-N 373.482 2.178 0 40 FEAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1 585096681 ADWGUCUFLVROJP-MRXNPFEDSA-N 356.426 2.128 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685942267 HIHUMTKMJCAONK-LIRRHRJNSA-N 355.442 2.410 0 40 FEAB Cc1nc(C2(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)CCCC2)no1 78075971 TZDFZLBGHBDCNE-QGZVFWFLSA-N 370.453 2.165 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)ccn1 1188783870 YSIFIOYBJAMLDV-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCCn1cncn1 76041752 DUHJWSFYPOCSQL-LSDHHAIUSA-N 365.478 2.258 0 40 FEAB CCOC(=O)N1CCN(c2nc(SC)ncc2Br)CC1 1888897838 HFFJLJAXEQSTIX-UHFFFAOYSA-N 361.265 2.240 0 40 FEAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)nc2n1 5021418 AHBXAVIUAKJVCK-UHFFFAOYSA-N 353.382 2.153 0 40 FEAB CN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 5586209 PQJFXHSDZIDFLY-UHFFFAOYSA-N 368.506 2.494 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CC=CCC1 12146577 XREHSEQQUCKSCI-VPWXQRGCSA-N 358.486 2.089 0 40 FEAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)c3ccnn3C)nn2c1O 12276353 DQHXIMUUVOOVIE-CQSZACIVSA-N 354.414 2.017 0 40 FEAB CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccccc1C 12422748 XRIBNVDZRAWWLF-UHFFFAOYSA-N 357.435 2.274 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)Nc3cc(C)on3)nc2C(C)C)on1 13226134 WWTTXFWEQJVXGY-UHFFFAOYSA-N 357.370 2.265 0 40 FEAB COc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)c(OC)c1OC 14517264 APPQEDFCTRLUFO-UHFFFAOYSA-N 369.381 2.155 0 40 FEAB Cc1ccccc1-c1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 14608508 WNLCRAPQOWTWNL-UHFFFAOYSA-N 364.405 2.301 0 40 FEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)cc1OC 19418893 NUUNQFVWBDDGRI-UHFFFAOYSA-N 361.394 2.285 0 40 FEAB CC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)C(=O)[C@](C)(O)[C@]2(O)C(=O)OC 253402298 OCPNGNBXODBFSW-TZVNBTQNSA-N 359.422 2.395 0 40 FEAB biogenic,in-vitro Cc1nc(C(C)(C)C)nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)c1F 1888856914 WVJUNDMFLHQMTJ-UHFFFAOYSA-N 373.476 2.243 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)c1 1888857167 YYOHVUIIOARHPY-VXGBXAGGSA-N 362.430 2.208 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncc(Cl)cn4)CC3)nn2)n1 1888869676 NJDXIDMUDUWDLD-UHFFFAOYSA-N 370.848 2.049 0 40 FEAB CC(C)N1CCO[C@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]2C1 1565546486 CYNQTWPAQFGFJO-BEFAXECRSA-N 357.454 2.328 0 40 FEAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(CCC)C(C)=C1C(=O)OC 12419572 BYTISRNPSSDRQT-OAHLLOKOSA-N 364.364 2.293 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1 17050965 FCDUYRNQSMALQQ-UHFFFAOYSA-N 363.830 2.103 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1 40024750 SCKAKRQFXVWEQJ-UHFFFAOYSA-N 373.409 2.491 0 40 FEAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2ccccn2)CC1 33238063 RANZVKBWCZPTHE-SFHVURJKSA-N 357.841 2.383 0 40 FEAB NC(=O)COc1ccccc1C(=O)NCc1ccccc1OC(F)F 22604394 YCRQFFUGOFQUMM-UHFFFAOYSA-N 350.321 2.082 0 40 FEAB O=c1oc(-c2cccs2)nn1CN1CCN(Cc2cccs2)CC1 22804788 IBBUEFYVCHSSQS-UHFFFAOYSA-N 362.480 2.402 0 40 FEAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(F)cccc1Cl 6433576 NCBUFIVSHTWLQC-CYBMUJFWSA-N 358.822 2.462 0 40 FEAB CN(C)[C@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccsc1 25814628 PTVJRLMEIDVCHE-CQSZACIVSA-N 352.481 2.184 0 40 FEAB COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCC1 8476120 DOJFSWDJKNPETM-UHFFFAOYSA-N 352.456 2.152 0 40 FEAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 12534291 JVUZUDJDHGVQNR-AEFFLSMTSA-N 358.486 2.213 0 40 FEAB CNc1snc(C)c1C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 58192720 JXDBRZDNLIYVKM-UHFFFAOYSA-N 372.494 2.329 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58190873 UTYZAIWYMIOKAT-DIFFPNOSSA-N 353.378 2.044 0 40 FEAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1 10208413 IYRRSUJIQVKPSJ-CQSZACIVSA-N 361.467 2.497 0 40 FEAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)CCn2ccnc2)C1 58201547 JDTWWTZVOASLIV-ZDUSSCGKSA-N 361.833 2.199 0 40 FEAB CN(Cc1ccccc1F)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 36391768 PAAQEBKUYWCKAI-UHFFFAOYSA-N 369.440 2.242 0 40 FEAB CCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)c1C 36614593 XVPMOFSQBSTDKP-UHFFFAOYSA-N 361.418 2.241 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1F 28913028 CIQJTBFPMUWPTO-DNVCBOLYSA-N 356.353 2.089 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N(C)Cc1ccsc1 11420860 CTTUGMMRAQTHLB-ZDUSSCGKSA-N 360.435 2.068 0 40 FEAB CCOc1cc(CNC(=O)N2CCC(C(N)=O)CC2)ccc1OC(F)F 56410953 CKLKGESTROVZFW-UHFFFAOYSA-N 371.384 2.094 0 40 FEAB Cc1c(CC(=O)NN2CC(=O)NC2=O)c(-c2ccccc2)nc2ccccc12 47060097 IAKBWDSYXMBPSP-UHFFFAOYSA-N 374.400 2.336 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 48297753 DFXMKGCTDVZHFU-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 3436670 XDRDOMXOOYUTOT-QHHAFSJGSA-N 369.329 2.339 0 40 FEAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C1=O 3405881 YAJFBHCQKGYXFZ-UHFFFAOYSA-N 365.389 2.027 0 40 FEAB O=S(=O)(c1ccc(Sc2nnc3ccccn23)nc1)N1CCCC1 3444434 HBJBIHOSAAERJV-UHFFFAOYSA-N 361.452 2.060 0 40 FEAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 12902653 APAQKJYSKPGQJL-GOSISDBHSA-N 371.412 2.196 0 40 FEAB CCCN(Cc1ccc(C)cc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 12993636 UTLAZEGSNNWDBG-UHFFFAOYSA-N 365.437 2.176 0 40 FEAB CN1CCN(CCCNC(=O)NCC(F)(F)F)[C@H](c2ccccc2)C1 49301546 XEFAOJMOWHSNQH-HNNXBMFYSA-N 358.408 2.227 0 40 FEAB O=C(CCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 49718360 JMTFHJUXCVNLSF-UHFFFAOYSA-N 366.417 2.446 0 40 FEAB O=C(CC1CCCCC1)N1CCN(C(=O)c2cc(Cl)[nH]c(=O)c2)CC1 96007110 GKKURBCUORQBFK-UHFFFAOYSA-N 365.861 2.283 0 40 FEAB C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)NC(N)=O 14093671 GGZPVBUQVXWADY-OCCSQVGLSA-N 374.466 2.405 0 40 FEAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 14199255 QZUVAEORIFUSOM-LLVKDONJSA-N 355.847 2.260 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(=O)c2ccccc2o1 14109920 MCIUDXUQSDUAHP-UHFFFAOYSA-N 367.386 2.363 0 40 FEAB COc1ccc(NC(=O)CCOc2cccc(C)c2)cc1S(N)(=O)=O 6626463 OPDGBLYKTWJIDL-UHFFFAOYSA-N 364.423 2.059 0 40 FEAB COc1cc(CC(=O)OCC(=O)N2CCCCCC2)cc(OC)c1OC 5861244 JVNPKJUMWCMNKU-UHFFFAOYSA-N 365.426 2.201 0 40 FEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCCc1ccccn1 9470904 DWRFHMFQFDLUKM-UHFFFAOYSA-N 364.401 2.414 0 40 FEAB COC(=O)c1cccc(NC(=O)C2(NC=O)C3CC4CC(C3)CC2C4)c1 15414387 FYEMDKCACREOCH-UHFFFAOYSA-N 356.422 2.353 0 40 FEAB CCc1ccc(C(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)s1 24175890 LTBYUZWVCMODJQ-UHFFFAOYSA-N 360.391 2.499 0 40 FEAB COC(=O)c1c(N)sc2c1CCN(C(=O)NCCCOCC(C)C)C2 9584686 NRUSDSZBMBQCRU-UHFFFAOYSA-N 369.487 2.247 0 40 FEAB COCCN1CNC2=NC3(CCCCC3)n3c(nc4ccccc43)N2C1 20676447 YGKHMMZVVMDINT-UHFFFAOYSA-N 354.458 2.296 0 40 FEAB COC(=O)c1cc(CNC(=O)c2cc(OC)cc(OC)c2)ccc1OC 18060812 ANVREHLZSMWQRD-UHFFFAOYSA-N 359.378 2.429 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1ccc(COc2ccc(F)cc2)o1 8733935 JOBRLKCSPCVRQZ-UHFFFAOYSA-N 363.341 2.013 0 40 FEAB COc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c1 8705564 BHWYGVPLCBBGPT-HXUWFJFHSA-N 365.389 2.243 0 40 FEAB biogenic CC1CCN(c2ccc(C(=O)N3CCC[C@H]3c3nncn3C)cn2)CC1 95453612 FWUVOZCEHNBDSR-INIZCTEOSA-N 354.458 2.424 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc[nH]n1 95998506 WPOSMTJKTLMTGU-GOSISDBHSA-N 365.437 2.485 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1C 408591048 IAVLOXLGAXAODI-UHFFFAOYSA-N 361.423 2.114 0 40 FEAB COCCn1c(-c2cc(C)ccc2F)nc2c1c(=O)[nH]c(=O)n2CC(C)C 89626433 DMCLEBNHDZXZKP-UHFFFAOYSA-N 374.416 2.303 0 40 FEAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 20492021 MZIPKHKOSBFKTQ-UHFFFAOYSA-N 373.434 2.437 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 20021485 NAQGUOMUHDVKFJ-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3ccccc3)CCC2)cc1 24594939 NIPQYCCLMFGDNH-UHFFFAOYSA-N 358.463 2.115 0 40 FEAB CCc1c(C)nc2n(c1=O)CN(CCCN(C)C)CN2c1ccccc1 38829858 XXQATTIZBOBVDX-UHFFFAOYSA-N 355.486 2.435 0 40 FEAB Cc1cccc(CN[C@@H]2CCOC[C@@]23CC(C(=O)N2CCCCC2)=NO3)c1 306142666 XFWFXUMUMGJSBN-CTNGQTDRSA-N 371.481 2.401 0 40 FEAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)CC 217430994 ZQFXYKGMXJHBHX-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB N[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218593066 JJIKVSIYIUJRRX-YCPHGPKFSA-N 351.811 2.062 0 40 FEAB Cc1nnc(Nc2cccc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1 72375977 GKHIWNBNIWRWRJ-LLVKDONJSA-N 353.473 2.124 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](CC(C)C)C(=O)O)ccc12 13549622 JLBAEVOIHDERHA-OAHLLOKOSA-N 361.394 2.350 0 40 FEAB biogenic Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218548217 YZCITRQNVYXEPP-GVDBMIGSSA-N 351.855 2.278 0 40 FEAB Cn1c(=O)c(CSc2nnc(O)n2C[C@@H]2CCCO2)cc2ccccc21 566019227 BVPLYZBKINUPEX-AWEZNQCLSA-N 372.450 2.307 0 40 FEAB CN1CCN(CCCCNC(=O)c2cccc(Br)c2)CC1 41362484 OXWBRMFQUNMXEQ-UHFFFAOYSA-N 354.292 2.207 0 40 FEAB COc1ccc(OCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)cc1 227167796 AQBAMGXOZAMPOH-UHFFFAOYSA-N 370.384 2.321 0 40 FEAB CC(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 514289646 XSKWMUNLHBYWNB-KBPBESRZSA-N 358.442 2.486 0 40 FEAB biogenic,in-vitro O=C(O)Cn1cc(S(=O)(=O)N2CCCC3(CCCCCC3)C2)cn1 578439897 CSFSVQAJQOGDMH-UHFFFAOYSA-N 355.460 2.093 0 40 FEAB O=C(Nc1cccnc1N1CCOCC1)N1CCC(OC2CCC2)CC1 333928480 XJHLEMWBCHKWRU-UHFFFAOYSA-N 360.458 2.484 0 40 FEAB COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3ccccc3)C2)cc1 96113182 AYTDXHXGQKIAMC-QGZVFWFLSA-N 363.435 2.164 0 40 FEAB biogenic,in-vitro COc1cccc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)c1 247867476 BPNHTEJOTJQIHI-IBGZPJMESA-N 374.481 2.068 0 40 FEAB O=C(c1ccco1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 247798112 DPPHPGLRKDUVFB-CQSZACIVSA-N 352.398 2.041 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257332222 XWHHRGIPGWCESW-OAHLLOKOSA-N 355.398 2.336 0 40 FEAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260901606 MJZNGRFRFIYOEG-OVWQWFNUSA-N 362.495 2.392 0 40 FEAB Cn1cc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)c(C2CCOCC2)n1 644393749 DRRJQTCARRFRFS-OAHLLOKOSA-N 356.426 2.003 0 40 FEAB Cc1ccc2c(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)csc2c1 280406969 IXJGJSHEGHAIEA-LBPRGKRZSA-N 352.481 2.221 0 40 FEAB Nc1nnc(SCC(=O)Nc2nc3ccc(C(=O)O)cc3s2)s1 1772820624 WRAVXSYPVHZMEM-UHFFFAOYSA-N 367.437 2.159 0 40 FEAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@H](OCC(F)(F)F)C1 612991990 SKVAMPOZAGBYSO-ZDUSSCGKSA-N 370.335 2.238 0 40 FEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1c2c(nn1C)CCC2 65856051 HBBJKMPALMRABF-SFHVURJKSA-N 352.438 2.383 0 40 FEAB C[C@@H]1[C@@H](C(=O)N2CCC(c3ncc(C(N)=O)[nH]3)CC2)[C@@H]1c1ccccc1 685943640 ZTVKPALXCVFKMY-AFAVFJNCSA-N 352.438 2.264 0 40 FEAB COc1ccc(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 31095279 ZFXOEKIAOTUYGM-QGZVFWFLSA-N 351.472 2.025 0 40 FEAB CC(C)(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 5726624 CGNLCXQTHVSITF-UHFFFAOYSA-N 363.277 2.130 0 40 FEAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccn4)nc(C)n32)s1 12088753 AEIFYGWLCWVHHK-UHFFFAOYSA-N 367.434 2.039 0 40 FEAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2cccs2)no1 15673442 FDPBCCKTWVYUJL-KBPBESRZSA-N 363.483 2.357 0 40 FEAB biogenic,in-vitro C[C@@H]1CCCN(c2ncc(CN3CCC(N(C)CCN(C)C)CC3)cn2)C1 19496651 WHYSKFVBMQXQFZ-GOSISDBHSA-N 374.577 2.171 0 40 FEAB CCc1cc(C(=O)N2CCC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)no1 19522622 TWJNLWQSFIUXDB-LBPRGKRZSA-N 352.394 2.493 0 40 FEAB O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccc2ncccc2c1 19658071 KXFTWUGNQNLVTF-UHFFFAOYSA-N 352.438 2.260 0 40 FEAB O=C(O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)O)cc2)cc1 3172938 SZXYEHVLWAFWJJ-HDICACEKSA-N 360.318 2.240 0 40 FEAB CNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12334782 FKVGJTOQQDDLQV-NSHDSACASA-N 373.375 2.370 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@@H]4C3)n1)CCC2 1888876417 IASZJEJEBKRBIP-GJZGRUSLSA-N 355.486 2.294 0 40 FEAB O=C(c1ccno1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888890329 CAZFIFDHICMPCU-UHFFFAOYSA-N 353.357 2.233 0 40 FEAB O=C(CN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2)N1CCCC1 1565542681 VOVZRIBEDFRMFF-OAQYLSRUSA-N 370.497 2.051 0 40 FEAB CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCCC1 4846641 HYYPSAJXIATNLJ-UHFFFAOYSA-N 350.440 2.012 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940753 DQRCZIIKQSRKMQ-NSHDSACASA-N 372.402 2.061 0 40 FEAB Cn1c(N2CC(N3CCc4sccc4C3)C2)nc2ccccc2c1=O 1775971477 PHCPQCCTPYQZFX-UHFFFAOYSA-N 352.463 2.242 0 40 FEAB COCCN1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 23127564 JYVGVPXRSLSXKM-UHFFFAOYSA-N 364.870 2.116 0 40 FEAB Fc1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 2086860447 URRVZEPNUOZPSB-PHIMTYICSA-N 364.222 2.346 0 40 FEAB CN(C)S(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2086866213 SICGZLOOZZNSNV-UHFFFAOYSA-N 354.863 2.269 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)Cc2cccc3ccccc23)CC1 43979979 LFDFJLSMTXYBEX-UHFFFAOYSA-N 360.479 2.170 0 40 FEAB CC(C)Sc1ccc(CC(=O)NC[C@H](O)Cn2ccccc2=O)cc1 206888842 UGZVPHOGIJWIOI-INIZCTEOSA-N 360.479 2.069 0 40 FEAB O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccc(Cl)s1 575621013 NGACBSXFNOUJEF-SECBINFHSA-N 367.901 2.492 0 40 FEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O 23220643 NUYWYRQWTLMGKK-XPTSAGLGSA-N 357.193 2.376 0 40 FEAB COc1ccc(CNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 16040017 QLXLSBQEBNAKMO-JKSUJKDBSA-N 353.422 2.186 0 40 FEAB biogenic O=C(CS(=O)(=O)c1cccc[n+]1[O-])N(c1ccccc1)C1CCCCC1 40152119 IGCRHVJCPZXFOV-UHFFFAOYSA-N 374.462 2.460 0 40 FEAB O=C(Cc1csc(-c2cccs2)n1)NCCN1C(=O)CSC1=O 40150993 VSCUOPHEYWJZPA-UHFFFAOYSA-N 367.477 2.226 0 40 FEAB CN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32825682 CDFFGICJRJEBQW-UHFFFAOYSA-N 353.412 2.246 0 40 FEAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 53758479 JXFNHKNXILWXEN-NSHDSACASA-N 353.382 2.103 0 40 FEAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(-n2cnnn2)c1 23362521 WILJBXUFYWPFOT-AWEZNQCLSA-N 362.393 2.192 0 40 FEAB Cc1nn(-c2nnc(NCc3ccccc3)nn2)c(C)c1Br 721192 JNLZCWHGFZEMCI-UHFFFAOYSA-N 360.219 2.444 0 40 FEAB aggregator Cc1ccc(NCc2nnc(SCC(=O)N3CCOCC3)o2)c(C)c1 925228 NHKNJPNVMLSQOT-UHFFFAOYSA-N 362.455 2.249 0 40 FEAB NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@H]1S(=O)(=O)O 1717209 KELUDJZPQUODBE-QGZVFWFLSA-N 358.419 2.047 0 40 FEAB CN(C(=O)COc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 4392118 PXCOPNLJUIIQNT-KRWDZBQOSA-N 359.447 2.378 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)s1 25382187 XAFKTIKVCFGAIO-MRXNPFEDSA-N 372.446 2.181 0 40 FEAB O[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H]2O[C@H](c3ccccc3)O[C@@H]21 4829707 DZDXMNRIZOWGEP-BKFJMFTRSA-N 356.374 2.301 0 40 FEAB CC(=O)Nc1nc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cs1 57055715 QEHAWJLRNNSNRG-UHFFFAOYSA-N 373.482 2.101 0 40 FEAB O=C(NCc1ccccc1Cn1cccn1)c1n[nH]c(=O)c2ccccc12 10029551 MRYCLMRBILFQIJ-UHFFFAOYSA-N 359.389 2.098 0 40 FEAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 9450904 JQCRVYWOBDOWTH-GOSISDBHSA-N 366.465 2.339 0 40 FEAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(C(=O)c2ccco2)CC1 10217740 HVYQCLBBNMPJHY-UHFFFAOYSA-N 367.405 2.005 0 40 FEAB C[C@H]1CN(C(=O)C2CCN(C(=O)CCNc3ccccc3)CC2)C[C@@H](C)O1 58216974 GJTRDBNIBUFJFX-CALCHBBNSA-N 373.497 2.363 0 40 FEAB CC(=O)N[C@@H](C(=O)NCCc1ccn(-c2ccccc2)n1)C1CCCC1 58202034 MEAIOXVNQUQFEH-LJQANCHMSA-N 354.454 2.226 0 40 FEAB CCNC(=O)NC(=O)CN1c2ccccc2[C@H](C(=O)N[C@H](C)CC)C[C@@H]1C 58225048 OXILJYXFYPARSK-IJEWVQPXSA-N 374.485 2.129 0 40 FEAB O=C(Nc1nnc(C2CC2)s1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 58201870 VCQLABVUAWUHKU-CQSZACIVSA-N 371.466 2.427 0 40 FEAB O=C1[C@H]2[C@H](C(=O)N1NC(=O)C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C12CC2 100539965 UTCYAHAQXRHCRL-GPIIOZJUSA-N 366.461 2.431 0 40 FEAB Cc1nn(C)cc1S(=O)(=O)N1C[C@H]2CCC[C@H](C1)C2N1CCCCC1 100769046 PTTDDYBFLZQIBB-HZPDHXFCSA-N 366.531 2.004 0 40 FEAB COCCCNC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12550458 IUPANAGPMZMFDC-UHFFFAOYSA-N 362.421 2.133 0 40 FEAB O=C(COC(=O)c1cnn2cccnc12)NCC1(c2ccccc2)CCC1 45991765 XQNNLRYMUKBKFJ-UHFFFAOYSA-N 364.405 2.124 0 40 FEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1cn[nH]c(=O)c1Cl 29531110 RSSGRUKWYJZWQE-UHFFFAOYSA-N 374.750 2.352 0 40 FEAB COc1cc(CNC2CCC(O)CC2)ccc1OCC(=O)N1CCCC1 60815661 PQVFMAOCOQLPJJ-UHFFFAOYSA-N 362.470 2.090 0 40 FEAB COC(=O)c1cc(NC(=O)CCNC(=O)Cc2ccccc2)ccc1F 12748117 AMDZRKBERZLUBR-UHFFFAOYSA-N 358.369 2.300 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1cc(OC)ccc1C(N)=O 12884187 JQLFFBLICLJJEP-UHFFFAOYSA-N 374.393 2.177 0 40 FEAB Cc1ccccc1NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 3480520 NLNGTSNYHDURBK-QGZVFWFLSA-N 351.406 2.487 0 40 FEAB COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OC(F)F 3489647 GNWLEDXXFFOTMP-UHFFFAOYSA-N 356.281 2.389 0 40 FEAB O=C(Nc1ccncc1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71328954 ULUWVLKOEXYUTP-QGZVFWFLSA-N 370.478 2.390 0 40 FEAB CCN(c1ccncc1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005501 KPGXKPYGBXYQEL-KRWDZBQOSA-N 365.499 2.419 0 40 FEAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CC[C@@]2(O)CCCC[C@H]2C1 72403604 BNEKRFAESMRGBI-SJCJKPOMSA-N 361.833 2.083 0 40 FEAB Cc1cc(N(CCO)CCOCC(F)(F)F)nc(-c2ccccn2)n1 95402788 GFGLLBSPTXVZFT-UHFFFAOYSA-N 356.348 2.225 0 40 FEAB Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)c3ccccc3)nn2)n1 14085989 WZHSNYIAFAWNGN-UHFFFAOYSA-N 367.434 2.328 0 40 FEAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@@H]1CCOC1=O 14197179 GNVUKCOPCAHSFC-LLVKDONJSA-N 370.283 2.372 0 40 FEAB O=C1CN(C(=O)CSc2ccccc2F)C2(CCCCC2)C(=O)N1 14230583 YEMSAROSMCMLQX-UHFFFAOYSA-N 350.415 2.106 0 40 FEAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1S(N)(=O)=O 14201737 QPWPNPRHTUGCHU-UHFFFAOYSA-N 371.418 2.452 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 6559140 IFRAAPJSUIMGLG-UHFFFAOYSA-N 368.361 2.084 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccs1 6649642 UAYOKMQRGAEBRS-SNVBAGLBSA-N 357.391 2.019 0 40 FEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1c(C)noc1C 6851550 KMMYYFGOZNTXRT-UHFFFAOYSA-N 373.409 2.092 0 40 FEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 9500348 NGHNVQUEQPPXNX-QGHHPUGFSA-N 351.353 2.404 0 40 FEAB Cc1nn2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)sc2nc1=O 16730415 NHWQMBSRVONIMH-RIYZIHGNSA-N 371.805 2.281 0 40 FEAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8302881 YJQMNGWUKRQAIR-UHFFFAOYSA-N 367.380 2.145 0 40 FEAB C[C@@H](C(=O)Nc1nc2ccccc2s1)n1c(=O)[nH]c2ccccc2c1=O 8997098 UWXFBCUVPCNHQB-JTQLQIEISA-N 366.402 2.499 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 9096527 FZBZVJYLUSBKEX-UHFFFAOYSA-N 367.862 2.036 0 40 FEAB COC(=O)c1cc(NC(=O)CN2C[C@H]3CCCCC[C@@H]32)cc(C(=O)OC)c1 75109048 SSWJWHDVVIPXOA-DYVFJYSZSA-N 374.437 2.463 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1Cl 408617448 CXJAVJSONJRIQJ-LBPRGKRZSA-N 374.890 2.418 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980360 UKUMCTINWIEXLH-OAHLLOKOSA-N 366.845 2.468 0 40 FEAB COc1ccc(/C=C/C(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC 189959426 XHWVHJIOZQBBOZ-VQHVLOKHSA-N 356.426 2.198 0 40 FEAB O=c1ccc(-c2cccs2)nn1CN1CCN(c2ccccn2)CC1 72403509 YBGMJNOTJOKCKV-UHFFFAOYSA-N 353.451 2.147 0 40 FEAB COCCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225817801 FYROEIAXSMWQBG-UHFFFAOYSA-N 354.204 2.194 0 40 FEAB Cc1cc(S(=O)(=O)Nc2cccc3ncccc23)ccc1OCC(N)=O 226687735 ISNUGVASQUOXSK-UHFFFAOYSA-N 371.418 2.208 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CC(n2cc(-c3ccccc3)nn2)C1 225661767 YBAIZODQCYJILH-LJQANCHMSA-N 362.389 2.168 0 40 FEAB NC(=S)n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397359 FEFFHGFWDILIQU-UHFFFAOYSA-N 355.810 2.456 0 40 FEAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1CCN1CCOCC1 223124948 BRYSDDHTHPJCEF-DLBZAZTESA-N 374.535 2.448 0 40 FEAB CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C1CCCCC1 44850416 VAFPPUSZIJFAME-UHFFFAOYSA-N 371.478 2.230 0 40 FEAB O=C(N[C@@H]1CCCc2occc21)N1CCN(C(=O)c2ccccn2)CC1 194051110 FVDHVWRLBPIEJH-OAHLLOKOSA-N 354.410 2.220 0 40 FEAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 514288516 BVQZNRDKSDQTCP-FCHUYYIVSA-N 363.505 2.192 0 40 FEAB biogenic,in-vitro COC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)N1S(C)(=O)=O 96209698 IQZIQUDJOPIFGS-OAHLLOKOSA-N 358.529 2.153 0 40 FEAB Cc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccccn4)C3)C2)nn1 96229169 BGUFHYBTTPDCCW-HXUWFJFHSA-N 353.470 2.299 0 40 FEAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)c1 248057243 SSWXALSOMDTMHH-IBGZPJMESA-N 356.470 2.382 0 40 FEAB CS(=O)(=O)NCCCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 43436026 VIYADEHIPJWCTN-UHFFFAOYSA-N 359.451 2.319 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1cccc(OC)c1 257216952 CWVFVZPYCWYLJB-MJGOQNOKSA-N 362.470 2.394 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)cc2)co1 262443327 CYZVDQVARJWLKY-CYBMUJFWSA-N 350.396 2.135 0 40 FEAB CC(=O)N(C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F)C1CC1 277880709 GKWYQUOSUCKXRR-MRXNPFEDSA-N 354.447 2.131 0 40 FEAB C[C@]1(N2CCOCC2)CCN([C@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776578838 IZFBIKXHEDYSOX-RDJZCZTQSA-N 356.825 2.401 0 40 FEAB Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](N)CC3)n(C2CCOCC2)n1 638232565 SYQXVLBOQIGXIN-NSHDSACASA-N 361.471 2.068 0 40 FEAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(O)nc3ccc(F)cc23)C1 644119035 GUOCQNNNSZSHKI-ABAIWWIYSA-N 356.357 2.405 0 40 FEAB O=C1Cc2c(cccc2-c2ccc(CN3CCS(=O)(=O)CC3)cc2)N1 649437155 GAPOWISHBXLXID-UHFFFAOYSA-N 356.447 2.079 0 40 FEAB CCn1ncnc1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 664792577 DMUYTPWKKXVYPG-UHFFFAOYSA-N 353.426 2.448 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 575405222 XHNMYUZSLHTARJ-MRXNPFEDSA-N 361.486 2.199 0 40 FEAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575422327 BGGAGSSZCMWSTB-CABCVRRESA-N 359.513 2.280 0 40 FEAB Cc1cccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@H]2C)c1 585097739 NOYNUIZVENDJSW-MRXNPFEDSA-N 364.449 2.349 0 40 FEAB Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)CCC2 585123261 NZUMMYKTOCCGEU-BBWFWOEESA-N 355.442 2.293 0 40 FEAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(Cc3cc(C)on3)CC2)C1 585103621 PXXGUBVKQAAOCV-SFHVURJKSA-N 361.486 2.470 0 40 FEAB O=S(=O)(C[C@@H]1CCCCO1)Nc1cccc(Cl)c1-n1cncn1 76935900 ZPAONLXCPWKESL-NSHDSACASA-N 356.835 2.232 0 40 FEAB CS(=O)(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 96366172 UUYQKTFBDUBSFO-UHFFFAOYSA-N 351.346 2.234 0 40 FEAB Cc1c(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cnn1C 1615127719 GOERNFBABCRYSN-FQEVSTJZSA-N 372.444 2.266 0 40 FEAB Cc1nc2ncnn2c(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)c1C 1775974253 ZHEHMIULQWVOJT-UHFFFAOYSA-N 366.473 2.155 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 11859900 MJFQMQCKFRMQEL-LVNYTYFRSA-N 363.410 2.330 0 40 FEAB Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)n1 19237973 CBJFFKYUPHXGFA-KBXCAEBGSA-N 368.485 2.017 0 40 FEAB COc1cccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c1 19587977 QHXSWCWSPIRWRQ-INIZCTEOSA-N 366.465 2.032 0 40 FEAB CNc1cc(CCNC(=O)c2cc(C3CC3)on2)nc(-c2ccncc2)n1 19592306 CMCMTSSWABECNP-UHFFFAOYSA-N 364.409 2.418 0 40 FEAB Cn1cc(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)c(C(F)F)n1 1653994739 JUEYLXRSKRRSPD-GFCCVEGCSA-N 363.368 2.453 0 40 FEAB Cn1nc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)ccc1=O 10580275 VZSSBPQOUZSQNY-UHFFFAOYSA-N 355.423 2.243 0 40 FEAB CN(C)C(=O)NC1CC2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 1565551861 TVDXNGPPKNQTOP-UHFFFAOYSA-N 351.397 2.160 0 40 FEAB COc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359878 DHTFKWANHGYBMV-MRXNPFEDSA-N 353.422 2.342 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)NC1CCCC1 4479120 BJMWFCPZDRPTKN-UHFFFAOYSA-N 371.828 2.294 0 40 FEAB CCCCNC(=O)c1cn(CCOC)cc2c(=O)n(-c3ccccc3)nc1-2 9661558 FSILMVIUPJXKAG-UHFFFAOYSA-N 368.437 2.315 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1 11694671 IIIMWZYMSQUCBH-UHFFFAOYSA-N 363.420 2.378 0 40 FEAB Cc1ccc(NC(=O)Cn2nc3c4sccc4ncn3c2=O)cc1C 13349804 UUARDZKVAFDHOC-UHFFFAOYSA-N 353.407 2.361 0 40 FEAB COc1ccccc1CN1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772725 USJSOFMMQZVZMC-UHFFFAOYSA-N 354.454 2.115 0 40 FEAB CN(C)c1cccc(C(=O)NC2CN(c3ncnc4ccsc34)C2)c1 1775975681 MEQZVBSTSPBSTK-UHFFFAOYSA-N 353.451 2.376 0 40 FEAB C[C@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)Cc1ccsc1 618254700 DNMSSLBLIROJQD-GOSISDBHSA-N 350.484 2.165 0 40 FEAB CC(C)CCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999383 LGDSYPRYABNHCB-NVGVWMPQSA-N 368.455 2.252 0 40 FEAB biogenic Cc1ccccc1C(=O)NCCC(=O)NCc1cccnc1-n1cccn1 40089008 PDPBQUOSDZJNOM-UHFFFAOYSA-N 363.421 2.012 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc(O)c3)c2c1 40312408 LEXXQSQDSHCHEC-UHFFFAOYSA-N 353.378 2.180 0 40 FEAB biogenic O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815670 DWMZBMWIWLMJMU-UHFFFAOYSA-N 370.814 2.206 0 40 FEAB Cc1cccc(-c2nnc(Sc3cc(C)nc(C)n3)n2CC(N)=O)c1 32829216 ZIQLURIKCBNQFG-UHFFFAOYSA-N 354.439 2.297 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCC1(c2ccccc2)CCC1 102666933 DWURVNCYHAPDFI-LNMJFAINSA-N 364.445 2.032 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3cccs3)CC2)cc1C 23736770 IRSGEHDWXUXIRJ-UHFFFAOYSA-N 371.506 2.439 0 40 FEAB NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)COc2cccc(F)c2)c1 57260476 YWXFMQBPUVEFNK-GOSISDBHSA-N 371.412 2.293 0 40 FEAB CSc1nc2nc(C)c(CC(=O)NCCc3cccc(O)c3)c(C)n2n1 58183906 MREXXDKVFULCOA-UHFFFAOYSA-N 371.466 2.070 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N2C(=O)c3nn(-c4ccccc4)cc3[C@@H]12 101459143 BUXQDKGFVGOXET-HNNXBMFYSA-N 368.418 2.094 0 40 FEAB O=C(Cn1c(-c2cccs2)noc1=O)N[C@@H]1CCOc2ccccc21 58208933 RTUNWSRWEDDRMO-GFCCVEGCSA-N 357.391 2.205 0 40 FEAB CC(=O)N(C)CC(=O)NCC1(c2cccc(Br)c2)CCC1 58245293 MHBPITIHQCPTNF-UHFFFAOYSA-N 353.260 2.465 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)C2(c3cccc(F)c3)CCC2)C[C@@H](C)O1 58264608 LRGRTADZBZCWMJ-GASCZTMLSA-N 362.445 2.390 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccnc1 58347194 HYJKAPHJOBKCRC-UHFFFAOYSA-N 359.451 2.315 0 40 FEAB O=C(COC(=O)c1cccnc1Cl)COC(=O)c1cccnc1Cl 3319540 UHVYKLMEPYGLRT-UHFFFAOYSA-N 369.160 2.366 0 40 FEAB NC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1 10675368 KHYIMRSLBGESGC-YVEFUNNKSA-N 374.343 2.088 0 40 FEAB CCc1noc([C@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 36396371 YIIULLBBZDSGGY-AWEZNQCLSA-N 358.442 2.282 0 40 FEAB Cn1c(C(=O)OCC(=O)NC2CC2)c(Br)c2ccccc21 46410735 COTJESJZHZSPIE-UHFFFAOYSA-N 351.200 2.376 0 40 FEAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1nc2ncccn2n1 2808371 ZMAJPVAVXGJCIC-UHFFFAOYSA-N 371.763 2.414 0 40 FEAB CCc1ccc(-c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 12614413 ICRQSOKWMWFAFR-CYBMUJFWSA-N 350.465 2.289 0 40 FEAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1 3386959 MXLBQDYGMDGUEG-UHFFFAOYSA-N 355.346 2.471 0 40 FEAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(F)cc1 3302604 ATIHNHDNBRMRAE-UHFFFAOYSA-N 367.174 2.456 0 40 FEAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ncccn2)CC1 3407491 MNDDZZVBLWWHGU-UHFFFAOYSA-N 373.265 2.294 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc(C)cc2)cc1 3501621 QJALVRANIDYCQY-UHFFFAOYSA-N 369.450 2.388 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 12996216 OCJFPZYHTCHQQM-UHFFFAOYSA-N 360.435 2.301 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)ccc21 12995564 LKUACXRYRSNEKY-SFHVURJKSA-N 350.374 2.316 0 40 FEAB CCCCNC(=O)N(O)[C@H]1N(CCCC)C(=O)N(CC(=O)OC)C1(C)C 3876652 KCOGKASIXVPPTP-CQSZACIVSA-N 372.466 2.003 0 40 FEAB CCn1cc(S(=O)(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)nc1C 95453325 WVZLQPFJYQGHRG-CJNGLKHVSA-N 351.472 2.044 0 40 FEAB COCCOC1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)C1 95460888 MDFIVRKHUPAOTQ-GASCZTMLSA-N 363.458 2.179 0 40 FEAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 4258697 SNVWERUQXJGYJV-UHFFFAOYSA-N 369.406 2.384 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cc1 13732736 QBQSDAGJEONJCC-CYBMUJFWSA-N 350.465 2.344 0 40 FEAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nn3cnnc3s2)cc1 6589255 DSELIPKFYKVYKF-UHFFFAOYSA-N 372.454 2.242 0 40 FEAB O[C@H](COCc1ccccc1F)CSc1nnnn1-c1ccccc1 7136634 DKZXIXKMKCLNQP-OAHLLOKOSA-N 360.414 2.471 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 9516229 FIVSMMDRCISMPN-UHFFFAOYSA-N 367.409 2.061 0 40 FEAB CCOc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NC(C)C 408701480 YPYKDJLFTDAZPK-UHFFFAOYSA-N 366.439 2.295 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2)CC1 16339199 KZVPHDSAESOTCH-SFHVURJKSA-N 360.454 2.244 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(Cl)c1 8768919 KDQKGLMNQYEKLA-UHFFFAOYSA-N 358.785 2.447 0 40 FEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 75488121 DBNIMGFUZPKXFN-CMPLNLGQSA-N 363.483 2.217 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409388874 FSSBQSIBMKKXPL-UHFFFAOYSA-N 354.472 2.027 0 40 FEAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408603352 GMMDVSUQCXBGPA-CQSZACIVSA-N 356.488 2.367 0 40 FEAB Cc1ccsc1CN1C[C@H](c2ccnn2C(C)C)[C@]2(C1)OCCNC2=O 306132854 LUMPORMAZUTBBB-BEFAXECRSA-N 374.510 2.319 0 40 FEAB COc1ccc(N(CCCC(=O)NCc2ccco2)S(C)(=O)=O)cc1 113961054 QNOVXQMVUXRQMT-UHFFFAOYSA-N 366.439 2.151 0 40 FEAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 120786529 ZFBMKTZQJPPVIQ-CJNGLKHVSA-N 368.424 2.492 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(O)cc3)c2c1 36369910 TWGODJHRZPCFBV-UHFFFAOYSA-N 353.378 2.180 0 40 FEAB biogenic COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCc1ccccn1 32998067 PVGFJJGURIRRLY-INIZCTEOSA-N 373.478 2.258 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(N[C@@H](C)CC)c(C(=O)O)c1 217640421 QSTRPNDWMRNBJA-LBPRGKRZSA-N 358.460 2.300 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)C2(CN)CN)cc1 218390545 IEWOSWZVKGMLJN-IRXDYDNUSA-N 364.898 2.492 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 224238434 JZTPYOHSEYYQLA-XJKCOSOUSA-N 368.524 2.334 0 40 FEAB Cn1nc2c(c1CNC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2 225817361 FOFHRROWTOKPGC-GFCCVEGCSA-N 372.856 2.232 0 40 FEAB CC(C)(C)c1n[nH]c(CNS(=O)(=O)C[C@H]2CCCCC2(F)F)n1 333909061 KSVMKXVOSGWZJK-SNVBAGLBSA-N 350.435 2.347 0 40 FEAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96066300 BZCDMRLQNPMLIF-UHOSZYNNSA-N 355.438 2.313 0 40 FEAB O=C(c1cnccn1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 96239621 LUJPJROQNMUKSA-KRWDZBQOSA-N 359.380 2.250 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3[C@@H]4CCCC[C@@H]34)ncc2C1 247918792 GMYYOBGPTURMBG-NUJGCVRESA-N 368.481 2.481 0 40 FEAB COc1cccc(CC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c1 257340698 ZHFMJJVPNCKUPK-GOSISDBHSA-N 355.438 2.299 0 40 FEAB COc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257289039 PWSJDCIAZYIEFW-CQSZACIVSA-N 353.382 2.206 0 40 FEAB CC(C)c1nnc(CCC(=O)NCc2ccnc([C@]3(C)CCCO3)n2)o1 257332501 XXOHBFJKZMTSBT-SFHVURJKSA-N 359.430 2.258 0 40 FEAB O=C(Nc1ccc(Cl)cn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 26859434 UNZGEBZDRNVXFA-NSHDSACASA-N 373.796 2.498 0 40 FEAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575422190 AIHHNAANLPPOBU-AAEUAGOBSA-N 365.904 2.316 0 40 FEAB CNC(=O)CC[C@]1(O)CCCN(C(=O)CCc2cccc(Cl)c2)C1 585279802 YQAPSBXFQBCOEE-GOSISDBHSA-N 352.862 2.152 0 40 FEAB COCCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1cccc(F)c1)C2 585102625 COGBQRQKTIDGGP-YLJYHZDGSA-N 362.445 2.150 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1COc1cnccn1 585097454 LVGSUZNNOGWEDM-OAHLLOKOSA-N 353.382 2.068 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 12185991 IJVJZZSTTOIFMJ-HEHGZKQESA-N 371.485 2.326 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1OC 13678965 OFWFELMOQSRKSS-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NC[C@H](C)O)CCOCC2)C1 19236960 PLORORJDYQVXAH-JKSUJKDBSA-N 360.454 2.172 0 40 FEAB CN1CCC(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)CC1 19748203 MKYRCOZFWXRQKW-UHFFFAOYSA-N 357.498 2.068 0 40 FEAB Cc1cc(N2CCC(CNS(=O)(=O)c3c(C)noc3C)CC2)ccn1 253405951 TZTJPEHMEUDCGN-UHFFFAOYSA-N 364.471 2.190 0 40 FEAB Cc1cc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1 5281857 DJNCRNORFIXICZ-UHFFFAOYSA-N 370.452 2.189 0 40 FEAB Cn1nc(C2CCN(c3nc4cnccc4s3)CC2)n(C2CC2)c1=O 1888890717 MIJUFNGHYYKMSZ-UHFFFAOYSA-N 356.455 2.305 0 40 FEAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 970209 JKABBPUDWHCQTC-UHFFFAOYSA-N 366.464 2.118 0 40 FEAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1C(=O)c2ccccc2S1(=O)=O 4940765 BRLIJQZJEZMRQX-VIFPVBQESA-N 366.345 2.137 0 40 FEAB O=C(NCCc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 10220969 BSKYYKKCEHQQAT-UHFFFAOYSA-N 351.406 2.111 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1cccc2ccccc12 10333534 KAKMOLRJGBKOSP-MRXNPFEDSA-N 352.394 2.185 0 40 FEAB COc1cccc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c1 22765572 NOHDHRWXDWVCNI-SFHVURJKSA-N 359.495 2.475 0 40 FEAB CN(C1CCN(c2nc3cnccc3s2)CC1)S(=O)(=O)C1CC1 2086889215 QIBFGYMVMBICBP-UHFFFAOYSA-N 352.485 2.084 0 40 FEAB COCCCNc1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 40049523 YDKTTXAKKSEMGM-UHFFFAOYSA-N 351.790 2.121 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(NC(=O)N2CCOCC2)cc1 40266258 PVTLRGJMDMQVAT-UHFFFAOYSA-N 369.421 2.489 0 40 FEAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 102331786 CONNZTFETWOUAQ-JURCDPSOSA-N 358.373 2.151 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)CCNC(=O)c3ccccc3)ccc21 21897236 TVIVIIZXPVSRHC-UHFFFAOYSA-N 351.406 2.354 0 40 FEAB COc1ccc(OC)c(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103351360 XMLBKDHSYYSJFG-IYBDPMFKSA-N 373.405 2.088 0 40 FEAB COc1cc(OC)c(C2=CCN(Cc3nnc(C)n3C)CC2)c(OC)c1 47541450 REUAJGPHBLNDDI-UHFFFAOYSA-N 358.442 2.439 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)s1 54723188 JZURMGBUDRICRV-UHFFFAOYSA-N 374.491 2.313 0 40 FEAB CC1(C)C(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C 1010349 GGQYCYIZIQUNLQ-UHFFFAOYSA-N 366.483 2.328 0 40 FEAB Cc1nc(C)c(CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 79004521 XLXBVIHHIYNFBL-QGZVFWFLSA-N 359.401 2.059 0 40 FEAB COC(=O)[C@@H](CNc1ccccc1)[C@](O)(c1nccn1C)C(F)(F)F 24927084 WGRAIYRARNLEJO-DOMZBBRYSA-N 357.332 2.071 0 40 FEAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)cc1C 4991697 ASVMLLDTIZTDOP-MXEMCNAFSA-N 370.445 2.060 0 40 FEAB CCOc1cc([C@H]2CC(=O)Nc3ncnn32)c(Br)cc1OC 6350879 JUEMEMJADHQICA-SNVBAGLBSA-N 367.203 2.380 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 7915337 OABLEZZAULYUKW-NSHDSACASA-N 352.387 2.140 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CC1 56307475 DINPAGKNPGJMIS-CYBMUJFWSA-N 364.492 2.263 0 40 FEAB CN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 107544438 SMAUXVQFKWAWNH-PKOBYXMFSA-N 373.403 2.256 0 40 FEAB COc1ccc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 10335368 HNMZJAXSBLTXNH-SNVBAGLBSA-N 362.879 2.418 0 40 FEAB Cc1occc1C(=O)NCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 57558622 MHNHZQOQZOKHNE-UHFFFAOYSA-N 358.394 2.141 0 40 FEAB Cc1ccccc1N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)CC1=O 8217129 OMXZDTMSMBWVIS-OAHLLOKOSA-N 352.390 2.393 0 40 FEAB CC(C)CNC(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 27553088 JOSMOLHSIUJYGN-UHFFFAOYSA-N 356.470 2.231 0 40 FEAB Cc1cccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C 12554809 RWFWGLKFJBNCHL-ZIFCJYIRSA-N 359.514 2.450 0 40 FEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCCCC(=O)O)ccc12 2160581 KNGWRBCOASBCTR-UHFFFAOYSA-N 361.394 2.495 0 40 FEAB biogenic C[C@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccc2c(c1)CCCC2 9877297 XNTCOPFTXZOFDY-NSHDSACASA-N 358.467 2.200 0 40 FEAB COc1ccc(N(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 58343247 XWFVXNOXBKUHPB-CYBMUJFWSA-N 358.394 2.308 0 40 FEAB CCc1nc(CNC(=O)N2CCN(Cc3cnc(C)s3)CC2)cs1 111861672 UDEKZANGEYKDRS-UHFFFAOYSA-N 365.528 2.498 0 40 FEAB CCOC(=O)c1csc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n1 54881418 CWQLMNLNZBCDGO-ZDUSSCGKSA-N 355.460 2.445 0 40 FEAB COc1ccc(CNC(=O)Cn2c(S)nnc2-c2cccs2)cn1 11007546 XCTFNCYVECQSHQ-UHFFFAOYSA-N 361.452 2.015 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(Br)ncc1N 95466510 NQLLRDNSCRCQBV-AOOOYVTPSA-N 370.247 2.373 0 40 FEAB CN(C)C(=O)Cc1ccccc1NCC(=O)N1CCc2ccccc2C1 60087907 VOCIMJUOJDTSPR-UHFFFAOYSA-N 351.450 2.314 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 12785140 PCMRHOZVHPASHI-UHFFFAOYSA-N 374.370 2.259 0 40 FEAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)c1 12870069 MJMSYTWQAFZKLX-NSHDSACASA-N 367.361 2.116 0 40 FEAB C[C@H]1C[C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)CCO1 95457895 OXOYTRUEYZDKSM-HOTGVXAUSA-N 354.450 2.430 0 40 FEAB O=C(O)C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 13427856 ULICMCRRMMUDHP-OAHLLOKOSA-N 368.389 2.134 0 40 FEAB CCCOC(=O)CNC1([C@H](CC(C)C)NC(=O)OC(C)(C)C)COC1 306145595 JVZJSMBNZGFXNK-AWEZNQCLSA-N 358.479 2.238 0 40 FEAB Cc1ccccc1C[C@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 97165388 OBCYTPNJBXOUAJ-KRWDZBQOSA-N 373.522 2.396 0 40 FEAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 14108902 LTSWISVZDXQGQX-AWEZNQCLSA-N 354.204 2.108 0 40 FEAB CN(C)CCNC(=S)N1CCN(Cc2csc3ccccc23)CC1 14160831 HAJOBFKLZKFXLJ-UHFFFAOYSA-N 362.568 2.455 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNCC2CCCCC2)c1 6451691 RYVFSBZRAJZZKB-UHFFFAOYSA-N 353.488 2.045 0 40 FEAB CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)c1nnc2n1CCNCC2 67678511 RWLJFPBNQIQGGW-GOSISDBHSA-N 364.453 2.099 0 40 FEAB CC(C)CN1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 67861955 TVZLDJUVVCYQSN-HXUWFJFHSA-N 371.525 2.457 0 40 FEAB O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@H](O)[C@@H](N2CCCC2)C1 72306031 OAESIMMNXNGIEP-KBPBESRZSA-N 365.503 2.259 0 40 FEAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 9501146 NCEDHJQFXXFSDH-FQEVSTJZSA-N 357.454 2.419 0 40 FEAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 9885290 WNMKJFXCAILBIR-KKSFZXQISA-N 366.417 2.128 0 40 FEAB CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@H]1c1ncon1 95981336 WMMOIWLIZOGEFQ-LBPRGKRZSA-N 369.219 2.428 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1 76060854 JFINZMXPVZRZOB-UHFFFAOYSA-N 363.421 2.460 0 40 FEAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306132268 LDHSKHYEMIABFR-APWZRJJASA-N 366.417 2.082 0 40 FEAB Cc1ccn(C[C@](C)(O)C(=O)N2CCC(c3ccccc3F)CC2)c(=O)c1 548720906 LNDNLBNIAZUQQG-NRFANRHFSA-N 372.440 2.453 0 40 FEAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218593205 JJIKVSIYIUJRRX-DZKIICNBSA-N 351.811 2.062 0 40 FEAB COCCCNC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1 222789692 RVNHEXIXRYSVTO-UHFFFAOYSA-N 372.421 2.479 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 21895305 MGONRAZAZBKBCT-HUUCEWRRSA-N 368.499 2.258 0 40 FEAB C[C@@H](C(=O)NCCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220464364 JQHQNWOIOKJZBC-AWEZNQCLSA-N 364.442 2.339 0 40 FEAB O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)[C@@H]1CCCO1 77191994 WXHADFNIBKVFPN-GJBLVYBDSA-N 373.434 2.452 0 40 FEAB O=C(Cc1ccncc1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96222364 YVNNEGDFLCVETR-FPOVZHCZSA-N 367.449 2.386 0 40 FEAB O=C(N[C@H]1CCC12CCN(C(=O)c1cccs1)CC2)c1cnccn1 96051528 IKTPMXGDRJVJME-HNNXBMFYSA-N 356.451 2.353 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCCN(Cc3cncn3C)C2)C1 96223492 ZRMVIBAWNBUBOS-AZUAARDMSA-N 355.486 2.071 0 40 FEAB O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96043106 YBBTUDHXBXFYIT-GBESFXJTSA-N 355.438 2.013 0 40 FEAB CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)c2cccc(OC)c2)n1 98211188 LDJBPCLIDKSDMN-UHFFFAOYSA-N 360.366 2.128 0 40 FEAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 247886299 RUVXEPUYLJAVQG-IDLUEMFASA-N 358.438 2.094 0 40 FEAB O=C(c1ccc(F)c(F)c1)N1Cc2cncn2[C@@H](COc2ncccn2)C1 247873597 MRGWFKLDFBQSRW-CQSZACIVSA-N 371.347 2.227 0 40 FEAB Cc1ncsc1CN1CC2(CC[C@@H](CNC(=O)c3cccnc3)CO2)C1 248012492 GKPRAIQGEOIOMR-HNNXBMFYSA-N 372.494 2.258 0 40 FEAB CCc1nccn1CCC(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 257218983 DFCZGRCZRNHXDY-HNNXBMFYSA-N 356.474 2.149 0 40 FEAB Cc1nccc([C@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 257297761 RISBUHDBIKEITB-GOSISDBHSA-N 351.410 2.125 0 40 FEAB Clc1ccc(CNC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(-n2cncn2)c1 1775961825 CKLVODNGKHJZCR-HIFRSBDPSA-N 359.821 2.049 0 40 FEAB O=C(Cn1nnc2c1CCCC2)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 654998700 NYVJIDFXNORCKY-QAPCUYQASA-N 358.417 2.333 0 40 FEAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cnn2cccc(Cl)c12 659125687 LWSHOXMRVBPOIC-LLVKDONJSA-N 351.790 2.084 0 40 FEAB CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)C1 668278096 YBSCRAWQJIGOBV-BXUZGUMPSA-N 369.439 2.322 0 40 FEAB O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)c1cnc2[nH]cnc2c1 677859917 IYNRLOOJTGIJDK-UHFFFAOYSA-N 372.348 2.045 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 677959459 QYYDJHMDORJYAV-XWTMOSNGSA-N 359.470 2.368 0 40 FEAB CO[C@](C)(CNC(=O)C(=O)NCc1cccs1)c1ccccc1F 96123629 FUZLRTDPJAJKLQ-QGZVFWFLSA-N 350.415 2.181 0 40 FEAB Cc1occc1C(=O)N1CC2(C[C@H](COCc3ccncc3)CN2C)C1 585093846 JLEYNXYRDPSPBG-KRWDZBQOSA-N 355.438 2.346 0 40 FEAB COc1ccc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 585112642 URFQXVSOIRGAGL-SFHVURJKSA-N 354.454 2.461 0 40 FEAB Cc1ccsc1C(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585272425 NDFVSZSLDOPWJX-UHFFFAOYSA-N 368.461 2.089 0 40 FEAB O=C(CCc1ccc[nH]1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108628 OERGENZEGRFKID-HBFSDRIKSA-N 355.438 2.318 0 40 FEAB OCC[C@H]1COCCN1Cc1nnc(-c2ccccc2Br)o1 89821282 NSSZAPJIRMSXBF-NSHDSACASA-N 368.231 2.082 0 40 FEAB CN1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1 1565524314 FSUQJISJYSSCCB-UHFFFAOYSA-N 373.522 2.072 0 40 FEAB CC(C)(C)NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152862 KPQQTYQLOHQGFU-INIZCTEOSA-N 355.438 2.414 0 40 FEAB Cn1ccnc1N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 11027478 RULJSSZVHQUTPR-UHFFFAOYSA-N 367.375 2.200 0 40 FEAB Cc1ccc(C2(O)CCN(CCNC(=O)c3n[nH]cc3Cl)CC2)cc1 12147573 QOQJMJPWFYBIBK-UHFFFAOYSA-N 362.861 2.085 0 40 FEAB O=C(c1cnccn1)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCCC3 12337035 KFGRTWBHTWFYSN-INIZCTEOSA-N 364.409 2.081 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H]3C4)c(Cl)cc21 12428010 YDXIWVYDLUXKAY-HBNTYKKESA-N 370.858 2.499 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccn1 14162591 BLBHPLSVPUXIQK-AWEZNQCLSA-N 364.357 2.446 0 40 FEAB O=C1CCOC[C@]2(CN(Cc3ccncc3)C[C@H]2c2ccc(F)c(F)c2)N1 19293157 TYPLHYGRDHMLSJ-JXFKEZNVSA-N 373.403 2.235 0 40 FEAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1ccnn1C(F)F 19330960 WZCNXZWZASZXQT-UHFFFAOYSA-N 366.368 2.242 0 40 FEAB COc1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1O 19559750 HCASISSECDISMA-UHFFFAOYSA-N 364.405 2.104 0 40 FEAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc(OC)ccc3F)C2)n1 19594304 QJSUPGFRCRNINY-ZDUSSCGKSA-N 361.417 2.444 0 40 FEAB CC(C)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3)c3nonc23)CC1=O 19656200 DHZMAOFUFLXDDY-LBPRGKRZSA-N 357.414 2.018 0 40 FEAB O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710789 NRKGNABZKLQQHU-QGZVFWFLSA-N 371.460 2.249 0 40 FEAB CN1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1nonc1N 19712972 QBHIJSVSSTUPOW-ZACQAIPSSA-N 369.469 2.352 0 40 FEAB Cc1cccn2cc(C(=O)Nc3ccc([C@@H](O)Cn4cncn4)cc3)nc12 19718781 FJQAOQDZMUFWKE-KRWDZBQOSA-N 362.393 2.220 0 40 FEAB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1C 8334116 GNPGVHKZGOJMJE-CXUHLZMHSA-N 370.384 2.312 0 40 FEAB O=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349434 LTSHTWANKOVEMQ-UHFFFAOYSA-N 358.467 2.384 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(c3cc(C4CC4)ncn3)CC2)cc1C 211076357 UMHHTDNDJWLRQZ-UHFFFAOYSA-N 372.494 2.482 0 40 FEAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)n1 1888906606 GEUZHVSXIWDGDS-ACJLOTCBSA-N 351.414 2.137 0 40 FEAB Cc1nc(N2CCN(c3ncnc4ccccc34)CC2)cc(-n2cccn2)n1 1889224984 HLGKUXNPYUXQOM-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB Cc1ccc(Oc2ccccc2NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 14198918 GDJZRMQNBQINIX-UHFFFAOYSA-N 351.362 2.276 0 40 FEAB O=C(c1cc(F)ncc1F)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565553361 VNTGKPFJGYBSAF-UHFFFAOYSA-N 372.375 2.414 0 40 FEAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CC(C(=O)NC1CC1)=NO2 1565546319 ZFQPZOXQWPHCHT-UHFFFAOYSA-N 359.401 2.164 0 40 FEAB Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)s1 1565542869 ZMLVKUSXKAGFKZ-GOSISDBHSA-N 351.516 2.467 0 40 FEAB COc1ccc(CN2CC3(CCN(C(=O)[C@H]4CCOC4)CC3)CC2=O)cc1 1565555612 LPMDTQMFJNZYIQ-KRWDZBQOSA-N 372.465 2.073 0 40 FEAB Cc1nn(CC(=O)NCc2ccccc2)c(C)c1I 1430650 GEXCKCRDYJMBNH-UHFFFAOYSA-N 369.206 2.421 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4373243 QMGKANATMRUCEC-SJLPKXTDSA-N 358.486 2.192 0 40 FEAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CCCCC1 8381982 RSPBALXCEINKCZ-AWEZNQCLSA-N 356.451 2.193 0 40 FEAB O=C(NCc1ccn(C2CCCC2)n1)N1CCN(Cc2cccnc2)CC1 152361911 CXGBZXITDFMFIW-UHFFFAOYSA-N 368.485 2.421 0 40 FEAB CCOc1cc(C(=O)N[C@@H]2CCCCNC2=O)cc(OCC)c1OCC 40092230 BOCWSVQCCBMXDM-CQSZACIVSA-N 364.442 2.281 0 40 FEAB CS(=O)(=O)c1ccccc1NC(=O)NCCCOCc1ccco1 40104352 SBLJGVGXUOCHRC-UHFFFAOYSA-N 352.412 2.412 0 40 FEAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCc2ccccc2C1 40152765 HEAZDRZKTNXONR-UHFFFAOYSA-N 360.417 2.268 0 40 FEAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)o1 51163214 FIUXAVWGNKZAKX-UHFFFAOYSA-N 366.414 2.310 0 40 FEAB O[C@H](CSc1ncnc2sc3c(c12)CCCC3)CN1CCOCC1 32750903 AJAXTZXYZHBVOB-LBPRGKRZSA-N 365.524 2.355 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C 102636494 MDDRTXRBBVIKII-CHWSQXEVSA-N 360.410 2.166 0 40 FEAB O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)NC1(c2ccccc2)CCC1 52932604 UWVCGQAWMAJHQT-SFHVURJKSA-N 369.509 2.420 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cnc2ccsc2c1=O 22002497 WWWZZQXFWSYFOT-UHFFFAOYSA-N 359.407 2.463 0 40 FEAB CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CN3CCN(C)CC3)ccc21 22918338 ZVGUUEHOWDSMDE-KRWDZBQOSA-N 373.497 2.159 0 40 FEAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 23187939 PUUBQVJGXZHIGE-MRXNPFEDSA-N 356.470 2.356 0 40 FEAB CNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 880076 YANOPWQDSYZWSP-HNNXBMFYSA-N 361.467 2.022 0 40 FEAB COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2cccc(F)c2)cc1 883681 FWFSULWDPCRTLJ-RUZDIDTESA-N 364.398 2.160 0 40 FEAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)O 2889410 NMALASXKVMXDBK-CYBMUJFWSA-N 362.407 2.183 0 40 FEAB COCCNC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 3108909 GCCZJRGDBNAHPP-UHFFFAOYSA-N 365.315 2.186 0 40 FEAB CC1=NN(C(=O)c2ccc(O)cc2)[C@](O)(C(F)(F)OC(F)(F)F)C1 6394763 JKICZIUPCPDZMQ-LLVKDONJSA-N 354.231 2.432 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC(C(=O)Nc3cccc(C)n3)CC2)c1 56331623 IFXQHAIMDPWOFZ-UHFFFAOYSA-N 354.410 2.412 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7056867 NYXVKYHEIGZQQW-LLVKDONJSA-N 367.361 2.116 0 40 FEAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)NC2Cc3ccccc3C2)C1 100816046 KBCCVLIJGWOPKB-RHSMWYFYSA-N 365.502 2.309 0 40 FEAB O=C(O[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108055976 JSTPNLXBDBFPPW-DARAHFNDSA-N 374.462 2.332 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(=O)[nH]c2ccccc12 57337648 WHTCWHSWNJBYAY-UHFFFAOYSA-N 374.400 2.427 0 40 FEAB Cc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O 104274719 NYHOCCBHXNESRM-UHFFFAOYSA-N 364.382 2.400 0 40 FEAB O=c1c2ccccc2nnn1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 58014241 VYTYKRSBHZCQRE-DNVCBOLYSA-N 351.406 2.247 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C(F)(F)F)cc1 58210372 KRWQQNBACAPEHI-SNVBAGLBSA-N 352.378 2.457 0 40 FEAB CCN1CCN(C(=O)c2cnc(Nc3nc4ccccc4o3)nc2C)CC1 54672270 RYXXOWYALOLYMT-UHFFFAOYSA-N 366.425 2.448 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1 28040926 WAXSHXAYPIJCMF-UHFFFAOYSA-N 374.466 2.119 0 40 FEAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 10516716 SVVFSBYBIGDPRP-UHFFFAOYSA-N 370.427 2.067 0 40 FEAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1OC 2296348 SQSUNFJACUILLC-LBPRGKRZSA-N 359.378 2.282 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1F 2394190 KNGLOTHZCAGGLE-UHFFFAOYSA-N 358.402 2.232 0 40 FEAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1ccc2c(c1)OCO2 36594905 FMHZRJVZVOYIQW-CYBMUJFWSA-N 371.349 2.052 0 40 FEAB Cc1ccc2ncc(C(=O)NCCCN3CCc4ccccc43)c(=O)n2c1 29523591 NILJSSDKQOPVJI-UHFFFAOYSA-N 362.433 2.186 0 40 FEAB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(OC)c1 12613352 HKTCHQDZAFTANR-UHFFFAOYSA-N 356.426 2.103 0 40 FEAB COc1cc(CCC(=O)N(C)CC(=O)Nc2cc(C)on2)cc(OC)c1 53309155 CFTKNYOZIDQSLL-UHFFFAOYSA-N 361.398 2.030 0 40 FEAB CN(C)[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccc(F)cc1 48326364 GRFLPBTXJLGDQU-MRXNPFEDSA-N 366.414 2.105 0 40 FEAB CCOC(=O)c1sc2nc(C)nc(NCCCS(C)(=O)=O)c2c1C 48374687 NDRSIBBFGDSQJP-UHFFFAOYSA-N 371.484 2.331 0 40 FEAB CCc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38835385 AUTOXAALHOAPRD-QGZVFWFLSA-N 360.435 2.415 0 40 FEAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1 13326703 SGLJOXDRFVRWKO-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3N)c(O)n2)o1 13568370 KSRDYCQYGUIFAE-UHFFFAOYSA-N 358.379 2.498 0 40 FEAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6051087 FDTQXBGXSPVAGF-JTQLQIEISA-N 363.277 2.032 0 40 FEAB COc1ncccc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002515 RTVKDJQLSHTUKY-CQSZACIVSA-N 367.384 2.233 0 40 FEAB CCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610570 TYOANRJLKWVEGI-UHFFFAOYSA-N 363.417 2.340 0 40 FEAB CCOc1ccc(F)cc1C(=O)CN1C(=O)COc2ccccc2C1=O 6662176 WYCBWFIZLYLONW-UHFFFAOYSA-N 357.337 2.469 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2cccs2)n1 6648073 SFFYSGRREKDUMZ-NSHDSACASA-N 368.422 2.166 0 40 FEAB O=C(CCNC(=O)c1ccco1)Nc1cc(Cl)ccc1-n1cncn1 6609535 GXDFCOJNDOAGNH-UHFFFAOYSA-N 359.773 2.272 0 40 FEAB CNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1N 6789545 VDAKLPCYTHKFJK-UHFFFAOYSA-N 353.860 2.365 0 40 FEAB CCc1nn2c(=O)cc(CNc3ccc(C(N)=O)c(Cl)c3)nc2s1 25737968 NXJAELVBYGWMPX-UHFFFAOYSA-N 363.830 2.078 0 40 FEAB Cc1nn(Cc2nn3c([C@H]4CCCO4)nnc3s2)c(=O)c2ccccc12 71738611 SGLHQMATAZSVJM-CYBMUJFWSA-N 368.422 2.104 0 40 FEAB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccccc1 19831373 ALHCXJANKRLGMB-UHFFFAOYSA-N 353.422 2.001 0 40 FEAB COc1ccc(CCN(C)Cc2cc(=O)n3ccsc3n2)cc1OC 7486884 GRCJQUQVYBUYCN-UHFFFAOYSA-N 359.451 2.448 0 40 FEAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c1 19819375 DOZKCJSMWMEZLO-UHFFFAOYSA-N 359.451 2.327 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790303 CYCCTQGDOSUQBV-UHFFFAOYSA-N 370.438 2.309 0 40 FEAB C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 16418472 MXFNUQAKZGRAQH-QWRGUYRKSA-N 357.815 2.159 0 40 FEAB O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8168637 OVYHVSWXCCNMBF-UHFFFAOYSA-N 372.437 2.378 0 40 FEAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1CCCO 8867626 XABPSDISIHZMEI-KRWDZBQOSA-N 351.358 2.426 0 40 FEAB COc1cc([C@@H](C)NCCc2nc(C(C)C)no2)ccc1S(C)(=O)=O 89578931 HJEZHNYBRMLOEY-GFCCVEGCSA-N 367.471 2.498 0 40 FEAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2ccccn2)n2nnnc2N3)cc1 111999909 NSEFAZSWCPCWAM-INIZCTEOSA-N 358.365 2.234 0 40 FEAB Cc1cc(=O)c(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c[nH]1 173991911 RTUNPHUJVRAPDH-UHFFFAOYSA-N 374.510 2.395 0 40 FEAB CC(C)n1nccc1[C@H]1CN(CC2CCCCC2)C[C@]12OCCNC2=O 306137576 RAFYDELPLKKJTB-XLIONFOSSA-N 360.502 2.329 0 40 FEAB COc1ccc2c(ccn2CC(=O)N2CCc3nc(N(C)C)ncc3C2)c1 1553999409 AVNIFQXQEOYXBO-UHFFFAOYSA-N 365.437 2.091 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980380 OZDIGMAPDNNVMW-OAHLLOKOSA-N 368.380 2.093 0 40 FEAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cc1cccc(OC(C)C)c1)C2 560489613 VTZREQWBXGHPAV-KRWDZBQOSA-N 371.481 2.187 0 40 FEAB Cc1noc(-c2cccnc2N2CCC(NC(=O)c3cccn3C)CC2)n1 85470820 FHKHYEFUWBTLRO-UHFFFAOYSA-N 366.425 2.177 0 40 FEAB Cc1ccc(N2C[C@H](NC(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225521675 MCFFFJUDTBWBFF-HUUCEWRRSA-N 352.438 2.053 0 40 FEAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2 40386757 QFNVPESHBSMHJM-MRVPVSSYSA-N 354.197 2.490 0 40 FEAB CCO[C@@H]1C[C@H](NC(=O)Nc2c[nH]nc2-c2nccs2)[C@@]12CCCO2 571249137 JSZYHPMXBXRLKG-OZVIIMIRSA-N 363.443 2.381 0 40 FEAB NC(=O)N[C@@H](CC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)c1ccccc1 532245277 DEZJFGOVPDHUDD-ZWKOTPCHSA-N 369.421 2.092 0 40 FEAB O=C(CCCNc1ncccn1)NC1CCN(Cc2ccccc2)CC1 49637966 WESWMDWUYYSDDX-UHFFFAOYSA-N 353.470 2.450 0 40 FEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 331353177 XXUBVPUDWDUBIN-XHDPSFHLSA-N 360.426 2.298 0 40 FEAB CO[C@@H]1CCN(C(=O)c2occc2C)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96208771 ZFJDFGIQSWLSHB-RCCFBDPRSA-N 355.438 2.345 0 40 FEAB COC[C@H]1CC2(CCN(Cc3ccccn3)CC2)CN1c1ncccn1 96240392 ZVXVILNYTARZQK-GOSISDBHSA-N 353.470 2.379 0 40 FEAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)C(C)C)C2 96036174 YDOBGBGWOFVBDS-HXUWFJFHSA-N 361.486 2.127 0 40 FEAB CCCCCCN[C@H](CC(=O)Nc1ccc(O)c(C(=O)O)c1)C(=O)O 96305830 UCSXMRWDHMJFHJ-CYBMUJFWSA-N 352.387 2.042 0 40 FEAB NC(=O)c1cc(O[C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)ccn1 245015169 LOVOKTAHHTVBHE-OAHLLOKOSA-N 362.389 2.022 0 40 FEAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)cn1 248092412 LRLMULBDBHJHAL-INIZCTEOSA-N 362.437 2.366 0 40 FEAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)Cn3ccnc3)CC2)C1 257270213 MTEVMXAXBOZNMJ-GOSISDBHSA-N 372.444 2.309 0 40 FEAB Nc1cc(CC[C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)ccn1 257336013 YMUUOFTUGDLJHY-QGZVFWFLSA-N 359.401 2.042 0 40 FEAB CN1CCN(C(=O)c2cncnc2)C[C@H](Cc2cnc3ccccc3c2)C1 257326320 WWTSRXFIGKSADC-QGZVFWFLSA-N 361.449 2.271 0 40 FEAB CCn1cc(-c2ccnc3cc(C(=O)NC[C@@]4(C)CCCO4)nn23)c(C)n1 257296851 REQFRURSFRYTIT-LJQANCHMSA-N 368.441 2.220 0 40 FEAB CNC(=O)[C@H]1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 257254021 KBGLZRLHBSTUKK-KRWDZBQOSA-N 366.465 2.018 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(CCc2ccc3c(c2)CCO3)C1 1775957157 GLFGGERDFDFBIV-SJORKVTESA-N 354.454 2.164 0 40 FEAB Cc1ccccc1-c1noc(CN2CC3(CCNCC3)[C@H]3COC[C@H]32)n1 1615591206 RHCIJELNRXPITK-DLBZAZTESA-N 354.454 2.245 0 40 FEAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3nnc4n3CCNC4)CC2)c1 638223211 SSUIDWSSCVJJBZ-ZWKOTPCHSA-N 365.481 2.199 0 40 FEAB Cc1c(C(=O)N[C@H](C(=O)O)c2ccccc2F)cnn1C1CCOCC1 683319870 UGPRJDDQKOQIBO-INIZCTEOSA-N 361.373 2.238 0 40 FEAB CCc1oncc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575405224 XJBKUOLMSSQBIM-CQSZACIVSA-N 366.483 2.380 0 40 FEAB COc1cccc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)c1 585112430 PUHNZVZGQBOTBH-GOSISDBHSA-N 369.469 2.254 0 40 FEAB COCCN1CC[C@@]2(CN(Cc3ncccc3C)CC(F)(F)C2)C1=O 585093288 NJXBARNVNNWCEX-QGZVFWFLSA-N 353.413 2.096 0 40 FEAB CCc1nc(C)c(CN2CCOC[C@](O)(COc3ccccc3C)C2)[nH]1 585279541 ZXERCPHBTGAQKJ-FQEVSTJZSA-N 359.470 2.231 0 40 FEAB Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)o1 585105072 OUHCBUMTPVZTRA-KRWDZBQOSA-N 364.486 2.454 0 40 FEAB CC(=O)N[C@H]1CCCN(C(=O)c2coc(C)n2)[C@H]1Cc1ccc(F)cc1 585269528 YAIPAQJICRVLDQ-WMZOPIPTSA-N 359.401 2.474 0 40 FEAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)cc1 585109272 FUCWRMZCHPTPMD-NLWGTHIKSA-N 368.433 2.063 0 40 FEAB COCCN1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 585102077 QIMZHGZNEDNKKM-NRFANRHFSA-N 371.481 2.362 0 40 FEAB COc1cc2nc(NN)n(-c3ccc(F)c(Cl)c3)c(=O)c2cc1OC 15424581 XTWORXAJMJOGON-UHFFFAOYSA-N 364.764 2.481 0 40 FEAB COc1cccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)c1 17073971 XLHSIAZYPMTQSO-NONVJHHQSA-N 358.438 2.091 0 40 FEAB CCOc1ncccc1C(=O)NCc1cc(NC)nc(-c2ccncc2)n1 19531566 IVKYDCSOIHUKIL-UHFFFAOYSA-N 364.409 2.304 0 40 FEAB COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)n2)c1 169680734 UURGZRGMLCCRKB-BFYDXBDKSA-N 365.433 2.247 0 40 FEAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986757 ZRKSEOASSKFEFB-IAGOWNOFSA-N 357.385 2.109 0 40 FEAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1nonc1N 19589098 PJWATQAPTUBKOU-UXLLHSPISA-N 355.442 2.134 0 40 FEAB O=C([C@H]1CN(Cc2cccc(Br)c2)CCO1)N1CCCC1 1889128496 WPWKBWDRKUDMHB-OAHLLOKOSA-N 353.260 2.272 0 40 FEAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1614934169 KZICFEBVTBLMOQ-NRFANRHFSA-N 371.481 2.318 0 40 FEAB COc1ccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2087136690 QFSPPCXRRLQNMY-INIZCTEOSA-N 354.397 2.154 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 1565541626 IKVWJSWYXNTYAG-KNQAVFIVSA-N 364.445 2.083 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1 4850485 CGLICLKYURMHCC-UHFFFAOYSA-N 356.447 2.309 0 40 FEAB Cc1cc(N2C[C@H]3CN(C(=O)c4cccc(-n5cccn5)c4)C[C@H]3C2)ncn1 1775976179 VPXPABWDDXUZPS-HDICACEKSA-N 374.448 2.179 0 40 FEAB O=C([C@@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCC(F)(F)CC1 2086884356 GIGOCWDYLNTDCH-LBPRGKRZSA-N 363.767 2.337 0 40 FEAB Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccc3c(c2)OCO3)c1C 96097326 YUMXUTDIMFOOOZ-MRXNPFEDSA-N 370.405 2.211 0 40 FEAB CCCCNC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116788 GQMSAGJOBQTIKD-MRXNPFEDSA-N 371.359 2.389 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@H]2CCCC[C@H]21 51868985 FLQKILCIVUUXHP-NVXWUHKLSA-N 355.442 2.433 0 40 FEAB COc1ccc(F)cc1CN1CCN(CC(=O)NCc2ccccc2)CC1 21435397 BHUWTXPWCWQQTO-UHFFFAOYSA-N 371.456 2.268 0 40 FEAB COC(=O)c1ccoc1CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 32899403 OYZWCHGFWNFDMY-UHFFFAOYSA-N 351.380 2.090 0 40 FEAB CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@H]1C2 103119861 KUUDCXGUWLYZPK-SGMGOOAPSA-N 352.460 2.078 0 40 FEAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O 22194726 OGUQHXQIYPBAJM-HNNXBMFYSA-N 351.721 2.184 0 40 FEAB Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccoc3)CC2)s1 24440263 MXSAQLUYCYLVTC-UHFFFAOYSA-N 354.453 2.233 0 40 FEAB O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1CC(=O)N(Cc2ccco2)C1 78964213 RXRFAOAWURCWEQ-LBPRGKRZSA-N 370.384 2.002 0 40 FEAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(-c2nnco2)c1 24735903 MCEGCWILLVPQAL-UHFFFAOYSA-N 364.361 2.491 0 40 FEAB CCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 3176281 YKSZGPUNISYOBI-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB CS(=O)(=O)N(CCCC(=O)NCc1ccccn1)c1ccc(F)cc1 7504833 LSKPRIILYBTMNK-UHFFFAOYSA-N 365.430 2.083 0 40 FEAB COCCN1C[C@@H](c2cc(O)n3nc(-c4cccs4)c(C)c3n2)CC1=O 100775791 PYZGRROUUZIBNR-LBPRGKRZSA-N 372.450 2.434 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1 27393101 CPFMLFYXWVXUFI-WFASDCNBSA-N 370.902 2.487 0 40 FEAB Cc1ccc(-c2nnc(CCC(=O)N3CCN(C(=O)C(C)C)CC3)o2)cc1 58114218 TUIYIFORXLURRN-UHFFFAOYSA-N 370.453 2.304 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 58182401 AMERDAGVCOOSMV-SFHVURJKSA-N 373.434 2.471 0 40 FEAB CC(C)N1CCC[C@@H](CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 58179163 JSAAFDVBRUPNGY-ZDUSSCGKSA-N 359.392 2.104 0 40 FEAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccccc1F 22767266 OOQBVBXJHHXSQS-OAHLLOKOSA-N 370.471 2.239 0 40 FEAB CN(C)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 58265176 VAGFKUPKHYFZBN-UHFFFAOYSA-N 355.442 2.260 0 40 FEAB CC(C)CN1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1 58208597 OHLNEQNMLSNUEA-UHFFFAOYSA-N 360.502 2.113 0 40 FEAB CC(C)Cn1ncc2cc(C(=O)N3CCN(CC(F)(F)F)CC3)cnc21 58245901 PHNRUQZBJMPGLA-UHFFFAOYSA-N 369.391 2.407 0 40 FEAB CN(C)C1(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CCOCC1 73235814 PNJIXSVLOHOJAR-KRWDZBQOSA-N 365.449 2.019 0 40 FEAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)O)ccc12 2103473 OOPGGGUGZOPKIG-GFCCVEGCSA-N 361.394 2.412 0 40 FEAB biogenic COc1cccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 9299731 NYARUIJTDGOZQD-UHFFFAOYSA-N 360.435 2.301 0 40 FEAB CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)N1CCOCC1 26062230 CJMPJABXOYLFBO-DOTOQJQBSA-N 352.450 2.456 0 40 FEAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2146591 MRAFGCJDNGSOEL-VOJFVSQTSA-N 361.394 2.350 0 40 FEAB biogenic CC(C)N(C)CC(=O)NCCC(=O)Nc1ccc(Br)cc1 58304598 XGBMPEULAVEVFZ-UHFFFAOYSA-N 356.264 2.234 0 40 FEAB Cc1c(Br)cnn1CC(=O)N[C@H](Cn1cccn1)C(C)(C)C 2780772 WMAIDUJROHESLQ-CYBMUJFWSA-N 368.279 2.382 0 40 FEAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(n3c(nc4ccccc43)[nH]c2=O)N1 12321272 LIAYBCAOAPHQJP-LBPRGKRZSA-N 374.356 2.348 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(Cn2cncn2)cc1 48236626 JTRVYFNLMWEZSO-ZHACJKMWSA-N 354.435 2.417 0 40 FEAB CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)[C@@H]2C(=O)CCC[C@@]21O 28466482 JEPGYGKYYADGQF-JJRVBVJISA-N 354.353 2.432 0 40 FEAB C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 12887996 DPRXHUMDWAOGHW-LBPRGKRZSA-N 358.369 2.204 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OCO4)nc2n1 3467275 VZTQHAGMYPIPCZ-UHFFFAOYSA-N 357.395 2.201 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 3460931 HCABSBMJRIEGCZ-FQEVSTJZSA-N 369.396 2.218 0 40 FEAB CCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 12986248 QWBTZDNRVMAPBZ-LLVKDONJSA-N 361.847 2.006 0 40 FEAB CN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 12913771 OJXLESLELRRVLY-KRWDZBQOSA-N 357.431 2.177 0 40 FEAB O=C(O)c1ccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)cc1 67897044 STOCTGHJKNBBDL-MSOLQXFVSA-N 352.390 2.001 0 40 FEAB biogenic,in-vitro Cc1cn2nc(N3CCN(Cc4ccc5c(c4)CCO5)CC3)sc2n1 22977210 FXYQNIJRRFBZGO-UHFFFAOYSA-N 355.467 2.356 0 40 FEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2sccc12 39502091 BQMIAOISURKYOD-UHFFFAOYSA-N 374.397 2.306 0 40 FEAB COc1ccc(CNC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1OC 72403790 CSZPPJRAPVXULB-UHFFFAOYSA-N 367.405 2.039 0 40 FEAB CC[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)Nc1cc(C)on1 14148651 DHXPZICEAZIOJQ-OAHLLOKOSA-N 369.381 2.197 0 40 FEAB CCn1c(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c2ccccc21 14123145 RPUDPDOCXNBZAD-UHFFFAOYSA-N 355.394 2.479 0 40 FEAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)cc1 5498531 MQHYVFNWMVPSLJ-UHFFFAOYSA-N 352.843 2.335 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 5517310 YALUXVOINAAHNJ-CQSZACIVSA-N 369.343 2.192 0 40 FEAB COc1ccc(C2(C(=O)NCc3c(C)nn(C)c3C)CCOCC2)cc1 72402704 IHLLCQUVRMKMTK-UHFFFAOYSA-N 357.454 2.410 0 40 FEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(O)c1 7165595 NVISOUQWTMHVPS-LBPRGKRZSA-N 354.362 2.313 0 40 FEAB O=S(=O)(c1ccc2nc(Cl)cnc2c1)N(CCO)C1CCCC1 95461819 WWARJEHTUCWSJC-UHFFFAOYSA-N 355.847 2.209 0 40 FEAB CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(C)(=O)=O 22230905 CQOKOVOFSBSQJZ-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C 73491641 VCESHEBUSPDJCF-QGZVFWFLSA-N 370.501 2.007 0 40 FEAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)c1 74816482 ZCTNZRHSQQQRJV-SFHVURJKSA-N 367.449 2.467 0 40 FEAB COc1cc(Br)ccc1CN1CCN(C[C@H](C)O)C[C@@H]1C 551584729 NABLGLFVNZWXHB-STQMWFEESA-N 357.292 2.345 0 40 FEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1Cc2ccccc2O1 25067165 DPXLAEWIJHJPBX-SFHVURJKSA-N 354.406 2.486 0 40 FEAB COc1ccc(-c2noc(CN3CCN(C[C@H]4CCCO4)CC3)n2)cc1 20950689 QQZICTQCSQPTDE-QGZVFWFLSA-N 358.442 2.042 0 40 FEAB CCCCS(=O)(=O)N1C[C@H]2Cc3cnc(Nc4cccnc4)nc3[C@@H]2C1 306123637 ASSOPGBLTSTQKJ-GDBMZVCRSA-N 373.482 2.317 0 40 FEAB COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2ccccn2)n1 408581128 GHXNLQKOCNABIF-UHFFFAOYSA-N 369.406 2.384 0 40 FEAB O=C(NS(=O)(=O)c1cnn(CC2CC2)c1)c1cccc(C(F)F)c1F 528993231 JULFPUQBHHTIDH-UHFFFAOYSA-N 373.356 2.489 0 40 FEAB CCCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217643876 FCIFOCZUHMZQAG-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218057887 LKQRYSGABRKABZ-HOTGVXAUSA-N 350.871 2.184 0 40 FEAB CC(C)n1nccc1-c1nnc(NC(=O)[C@@H]2COc3ccccc3O2)o1 38871595 XDUQSIZXXRBXMH-AWEZNQCLSA-N 355.354 2.293 0 40 FEAB COCCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582858 PUENTHSHCXTENO-UHFFFAOYSA-N 370.471 2.444 0 40 FEAB COc1ccc(C)cc1NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225882094 MCYPDCZQKUIRJO-UHFFFAOYSA-N 369.468 2.417 0 40 FEAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 48376400 HFEGEPDMZJHLEQ-UHFFFAOYSA-N 362.451 2.266 0 40 FEAB COc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1OCC(=O)O 226298329 BTYNTOAWWWKVRR-UHFFFAOYSA-N 374.300 2.344 0 40 FEAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906330 RIESOFASWWFKRT-ZDUSSCGKSA-N 365.503 2.187 0 40 FEAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 226858621 KUKLSTKGLAMRRD-AWEZNQCLSA-N 356.488 2.482 0 40 FEAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(CC3CCCC3)CC2)O1 96243609 MAWZOSMVKIQCDH-SFHVURJKSA-N 372.513 2.289 0 40 FEAB Cc1nn(C)c(C)c1[C@H](NC(=O)c1cnn2ncccc12)C(F)(F)F 578836725 OAEJIZHJCAQRDX-ZDUSSCGKSA-N 352.320 2.113 0 40 FEAB COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1 96206594 QFDAJERANCJLQC-IEBWSBKVSA-N 350.434 2.102 0 40 FEAB COCCN1C(=O)C2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 96052516 MRLXARXGAWLPIN-UHFFFAOYSA-N 365.433 2.249 0 40 FEAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 96231119 IBSUGIRAPBKHAU-NSHDSACASA-N 354.391 2.030 0 40 FEAB CC(C)CCN1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96144765 PIXQMIXXVQNXPG-QGZVFWFLSA-N 362.518 2.391 0 40 FEAB C[C@@H]1c2nc(CC(=O)N(C)C)cn2CCN1CCOCc1ccccc1 247985353 KMJQTXXNTLNOCY-MRXNPFEDSA-N 356.470 2.107 0 40 FEAB O=C(COCC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)N1CCCC1 247727087 DDQLTMOERIYIHQ-LJQANCHMSA-N 360.502 2.459 0 40 FEAB CC(=O)N1CCC(N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 257341651 ZLHJPABXGUBRCF-SFTDATJTSA-N 358.482 2.448 0 40 FEAB CNc1cc([C@H]2CCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)ccn1 257231524 GHDFHVLWQPLFGG-INIZCTEOSA-N 353.426 2.497 0 40 FEAB CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)N1CCc2ccccc2C1 541303890 IPEWSGMRFGCXKE-UHFFFAOYSA-N 374.462 2.443 0 40 FEAB CN1CCN(C(=O)c2ccc3nn[nH]c3n2)C[C@H]1c1ccccc1Cl 585140115 MSPZZTMDBHXPTJ-HNNXBMFYSA-N 356.817 2.135 0 40 FEAB COc1ccccc1CN[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257240920 HVTKWTRMSQFSBI-VBSBHUPXSA-N 361.413 2.256 0 40 FEAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc3ccccc3n1)C2 253380996 CHDIZJOVBFZSTH-MRXNPFEDSA-N 360.479 2.260 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 257262348 LLBLSWYRCUARNS-OAHLLOKOSA-N 352.442 2.408 0 40 FEAB CCC[C@@H](C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ccc2nn[nH]c2n1 1775991005 HIVYBUSCSVNXQA-NOXHYTERSA-N 370.457 2.041 0 40 FEAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cn[nH]c1 604405322 QYGUYHZAAVMQBV-GOSISDBHSA-N 373.372 2.163 0 40 FEAB biogenic O=C(Nc1cnn(CCF)c1)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 628768165 JJNXFUNNVBHBTC-CQSZACIVSA-N 354.389 2.312 0 40 FEAB Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)n(C)n1 585099101 MEBBVLWBOAGVSG-KRWDZBQOSA-N 355.486 2.078 0 40 FEAB Cn1ncc(C2CC2)c1CNC(=O)Nc1ccccc1CS(C)(=O)=O 585100236 LCSKBGTWCAMWFJ-UHFFFAOYSA-N 362.455 2.164 0 40 FEAB COc1ccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCCCN2C)CC3)cc1 585111265 LUILBDXFCAPFND-SFHVURJKSA-N 368.481 2.428 0 40 FEAB CS(=O)(=O)N1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 43067290 LQDCDIMFPCQMRY-UHFFFAOYSA-N 369.874 2.462 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)c3cnn(C)c3C)CC2)Nc2ccccc21 12086139 MGKDGDQMRHOCLU-UHFFFAOYSA-N 367.453 2.182 0 40 FEAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12892892 ZQOYENGUZKRDDH-DFHBCGBQSA-N 362.451 2.319 0 40 FEAB CN(C)c1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 19584777 PNUCBAKKLZBYGV-UHFFFAOYSA-N 365.481 2.208 0 40 FEAB COc1ccc(C(C)(C)C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1 560494091 XEWSNVGNCOOKIL-MRXNPFEDSA-N 371.481 2.144 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c(Br)c1 4516822 DKDNLAWWYGVJJG-UHFFFAOYSA-N 354.204 2.026 0 40 FEAB Cc1ccnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888888132 AZEFIEYRQXXFSQ-UHFFFAOYSA-N 351.458 2.452 0 40 FEAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)CCc3ccc[nH]3)C2)CC1=O 1565553757 DPMAUZWOWTXFNJ-HXUWFJFHSA-N 370.453 2.203 0 40 FEAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3)CC2=O)cc1 9035632 FQTNOOSVTBWDQF-CQSZACIVSA-N 360.435 2.027 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)COc2ccc(C)cc2)cc1 9570501 LQLPHTAWHUUACC-UHFFFAOYSA-N 367.409 2.065 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c1 9572712 NJONRULUWFTSBI-UHFFFAOYSA-N 362.407 2.024 0 40 FEAB CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccnc1 9764431 VRLWJEHHTPBGBC-QGZVFWFLSA-N 358.423 2.151 0 40 FEAB Cc1cnn(-c2cccc(N3CCN(c4ncc(Cl)cn4)CC3)n2)c1 2298053052 JPFAQVUUMIKOCQ-UHFFFAOYSA-N 355.833 2.346 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 6358478 JWMYGLVKXABREZ-DYZYQPBXSA-N 361.394 2.404 0 40 FEAB biogenic NC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2)=NN1c1ccccc1 40062085 YLQDGFQJHJGWAE-RTBURBONSA-N 362.433 2.470 0 40 FEAB COc1cc(CNCc2ccnc(N3CCOCC3)c2)cc(OC)c1OC 30900344 LZJWYFLRLLPWDF-UHFFFAOYSA-N 373.453 2.234 0 40 FEAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1 101219763 FSKCWQRLCYVXIW-WBVHZDCISA-N 370.336 2.135 0 40 FEAB COc1ccccc1N1C(=O)NC(=O)/C(=C(O)\C=C\c2ccncc2)C1=O 101370107 KGHMMILLERNMNB-SBMCEWORSA-N 365.345 2.199 0 40 FEAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCc2ccccc21 21278721 JMMQNIPFOWLZHA-UHFFFAOYSA-N 366.389 2.223 0 40 FEAB C[C@H]1CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)O1 32895328 FMBFAZACCBSLPJ-HOTGVXAUSA-N 352.500 2.295 0 40 FEAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1nnc2n1CCC2 32907435 ZPJSHZJIUBWPEW-UHFFFAOYSA-N 367.409 2.338 0 40 FEAB Cc1ccccc1CN(C)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 23732704 NCCMYUHSEVLUIF-UHFFFAOYSA-N 352.390 2.385 0 40 FEAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1 3015602 MYOHXRFNANYKJT-UHFFFAOYSA-N 373.416 2.097 0 40 FEAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)ccc1O 1103592 PRGZXGWKAXQUJA-HNNXBMFYSA-N 350.440 2.393 0 40 FEAB Cc1cc(C)n(-c2ccc(NC(=O)CCNC(=O)c3ccco3)cn2)n1 24588197 ZZBIZTGOEQZICI-UHFFFAOYSA-N 353.382 2.236 0 40 FEAB CCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 1343389 QBLUXRUKRCNVTH-IRXDYDNUSA-N 361.442 2.377 0 40 FEAB O=C(c1cnc2sccn2c1=O)N1CCC(c2ccc(O)cc2)CC1 55124908 IOKMNQJBABJUBK-UHFFFAOYSA-N 355.419 2.481 0 40 FEAB COc1ccccc1NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 3480625 JUNUBQDHCBLVSN-INIZCTEOSA-N 367.405 2.187 0 40 FEAB CCc1cccc(CC)c1NC(=S)N[C@@H](CC(=O)OC)C(=O)OC 12554460 ILSDMIGFFWRSBB-ZDUSSCGKSA-N 352.456 2.203 0 40 FEAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(C[C@H]1CCCO1)CO3 57135107 BUPXPSYETGIZAZ-CYBMUJFWSA-N 373.405 2.148 0 40 FEAB COc1ccc([C@@H](NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C(C)C)cc1 108058448 VCMZVOSQLMNYNI-VBQJREDUSA-N 356.488 2.336 0 40 FEAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1F 12541470 OPRBKCKRHVYSEN-INIZCTEOSA-N 366.462 2.359 0 40 FEAB CC1(C)CC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC(C)(C)N1 170380574 LLVDUARUTYFADF-UHFFFAOYSA-N 370.497 2.252 0 40 FEAB CC1(CS(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)COC1 97104242 WNFJIFPGLGDTMW-ZDUSSCGKSA-N 350.440 2.374 0 40 FEAB COC(=O)c1cccc(OCCSc2nc(C)c(CC(N)=O)s2)c1 58166311 JERFTTNRORVZQO-UHFFFAOYSA-N 366.464 2.437 0 40 FEAB COCC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 27999976 GKQRNNCGZGLFIY-UHFFFAOYSA-N 352.434 2.136 0 40 FEAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O)c1cccs1 2391383 RVRBPFFTBVKWAD-CYBMUJFWSA-N 373.312 2.286 0 40 FEAB O=C(NCCOc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1 59417407 DHWITYLPHNXKFC-IBGZPJMESA-N 368.433 2.144 0 40 FEAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 48332405 OBYBQSSCYQJHTH-IYBDPMFKSA-N 368.481 2.188 0 40 FEAB O=C(Cn1ccccc1=O)Nc1cccc(I)c1 13012781 WYONQMNVBZWEAF-UHFFFAOYSA-N 354.147 2.092 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(OC)ccc3nc2C)CC1 29697361 HNRPPBHEVZZVDC-UHFFFAOYSA-N 357.410 2.466 0 40 FEAB Cc1cc(C)c2oc(C(=O)N3CCOC34CCN(C)CC4)cc(=O)c2c1 13691122 FHPGPQDYIFWUGE-UHFFFAOYSA-N 356.422 2.304 0 40 FEAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(CC)s3)n2)cc1 9206144 VGZXCNWXWXDVKN-UHFFFAOYSA-N 371.422 2.297 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 5359146 XZUOKMSZSWGGKY-QMMMGPOBSA-N 351.457 2.278 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cnc2ccccc2c1=O 5316146 DBALLYFVGDMKEX-UHFFFAOYSA-N 353.378 2.401 0 40 FEAB CCOC(=O)c1cnn(-c2ncnc3c2oc2nc(OC)cc(C)c23)c1N 96194276 URKKNYCKIXMNGB-UHFFFAOYSA-N 368.353 2.033 0 40 FEAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccs1 6649637 UAYOKMQRGAEBRS-JTQLQIEISA-N 357.391 2.019 0 40 FEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6649475 LAVHOOMKGHZVPC-GFCCVEGCSA-N 351.362 2.416 0 40 FEAB CCOc1ncccc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 5936628 OTTFIEMPVYKVDO-UHFFFAOYSA-N 358.350 2.306 0 40 FEAB COC(=O)c1[nH]c(COc2ncnc3ccccc23)c(C(=O)OC)c1C 5937664 MSBFHSHKBUBLFN-UHFFFAOYSA-N 355.350 2.419 0 40 FEAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CCCC1 5970738 HXMAAPSJWBMRQG-OAHLLOKOSA-N 373.453 2.485 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(F)cc2N)c1 7376589 RHQRPSVZKQDKSB-UHFFFAOYSA-N 360.341 2.298 0 40 FEAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1F 8308739 YGDYMUCGCGFINE-LBPRGKRZSA-N 359.401 2.392 0 40 FEAB OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)OCCO2 89834875 JERDWRKMGALIND-PMACEKPBSA-N 368.477 2.430 0 40 FEAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3nc[nH]n3)cc2F)C[C@H](C)O1 76091896 YITGJSXRDJXFNU-RYUDHWBXSA-N 362.409 2.221 0 40 FEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3nc4ccc(F)cc4s3)cc2[nH]1 28248331 LPMXZXUDLUSVGX-UHFFFAOYSA-N 364.383 2.406 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCN2CCCCCC2)c1 26818132 SBDOYRZAGQUYDU-UHFFFAOYSA-N 354.472 2.018 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccccc12 62001357 LAQXSJNVAXNWNT-UVFQYZLESA-N 359.470 2.011 0 40 FEAB biogenic COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC(C)C)c1 22230155 RAZTZGYWTAEBSC-INIZCTEOSA-N 368.499 2.319 0 40 FEAB Cc1ccc(CN2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 17320524 KYKXVGPEWKDQPY-QGZVFWFLSA-N 366.417 2.389 0 40 FEAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cccnc1)C2 306123491 AOVIDLFEYYUWLE-KRWDZBQOSA-N 366.465 2.230 0 40 FEAB O=C(N[C@@]1(CO)COc2ccccc2C1)c1ccc(C(F)(F)F)nc1 529818892 GDXNGCAWPBZFBX-INIZCTEOSA-N 352.312 2.196 0 40 FEAB COC[C@]1(NC(=O)c2cc(C(F)(F)F)n[nH]2)COc2ccccc2C1 529962439 ZHQKHXSOWCCHCC-HNNXBMFYSA-N 355.316 2.179 0 40 FEAB CC(C)CC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 72325187 NHOGXVQFCSXCCN-FQEVSTJZSA-N 357.454 2.366 0 40 FEAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 73572225 TYUDHRHMQSYVFH-UHFFFAOYSA-N 352.350 2.490 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223012771 PEVNSNXDWOERNP-SNVBAGLBSA-N 354.457 2.176 0 40 FEAB Cc1noc(C2CN(CC(=O)Nc3ccc(Br)cc3)C2)n1 49482577 KLBSPDDPVUNMIZ-UHFFFAOYSA-N 351.204 2.178 0 40 FEAB C[C@@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)O 226820990 DZRWPCCIYKIPJW-NBZXXOOGSA-N 370.449 2.073 0 40 FEAB COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)NS(C)(=O)=O)cc1 225955568 ZKIGGIFQOXKEFS-INIZCTEOSA-N 366.414 2.453 0 40 FEAB CCn1ccnc1CN(C(=O)CCOCC(F)F)[C@H]1CC12CCNCC2 576584996 NRFPPJZNTACMFJ-AWEZNQCLSA-N 370.444 2.046 0 40 FEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)Cn1cnc3ccccc31)C2=O 143412129 MJHYAWVSCVHURZ-LRDNONRASA-N 355.438 2.209 0 40 FEAB COc1ccc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)cc1 96061524 IZHVRKRWQAODFG-IBGZPJMESA-N 368.481 2.409 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cccs1)C2 96237899 LAROWDBKQMIDNU-LJQANCHMSA-N 373.453 2.451 0 40 FEAB Cn1cc(CN2CC3(C[C@@H](CCOCc4ccncc4)CCO3)C2)cn1 248153392 UYJZDZPBYWIJPN-KRWDZBQOSA-N 356.470 2.403 0 40 FEAB O=S(=O)(c1cccs1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257273466 NGRNLLKCCYVJQK-FRRDWIJNSA-N 350.469 2.049 0 40 FEAB CCOCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257203094 AORHXIWVGNXIFB-GOSISDBHSA-N 368.861 2.240 0 40 FEAB Cc1ncc(-c2nccnc2CC2CCN(Cc3cnccn3)CC2)n1C 257284751 PEDAAHAPDRRHAL-UHFFFAOYSA-N 363.469 2.430 0 40 FEAB COc1ncccc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257306811 SWAUDNATFVYANG-HNNXBMFYSA-N 366.421 2.069 0 40 FEAB Cc1cc(CC[C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)ncn1 257326354 WWXVUWTXXXVNRK-OAHLLOKOSA-N 356.426 2.126 0 40 FEAB COCCN1CCC(NC(=O)c2c(C(F)F)nc3ccccn23)CC1 630833721 XFCSTGWRXDXTCS-UHFFFAOYSA-N 352.385 2.113 0 40 FEAB O=C(c1c(C(F)F)nc2cnccn12)N(C[C@H]1CCCO1)c1ccnnc1 1119496157 FROOINTWJVJDHW-GFCCVEGCSA-N 374.351 2.283 0 40 FEAB CCN1CCC[C@@H](CN(C)C(=O)N=c2cc[nH]cc2C)[C@@H]1c1cnn(C)c1 666494081 QHXMMUUDVMKCME-QFBILLFUSA-N 370.501 2.482 0 40 FEAB Cn1ncc(C(=O)Nc2cc(CO)cc(CO)c2)c1Cc1ccccc1 1301644928 QQZLQYHOYFTWEF-UHFFFAOYSA-N 351.406 2.248 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cnc3c(C)cccn23)C1 1775957502 XWUFTKSSBWDWIO-CVEARBPZSA-N 352.442 2.142 0 40 FEAB CN1CCC(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 585111919 JGBJXUBMYODUNJ-IBGZPJMESA-N 368.481 2.003 0 40 FEAB CNC(=O)[C@@]1(C)CCCN(CC2(O)CCN(c3cccc(C)c3)CC2)C1 585282518 FMQLOQKXKAKMHS-FQEVSTJZSA-N 359.514 2.174 0 40 FEAB CO[C@H]1CCN(Cc2nc(C(=O)N3CCc4ccc(F)cc4C3)co2)C1 685942032 MANIQRSLOZGZEH-INIZCTEOSA-N 359.401 2.233 0 40 FEAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC)cn1 62062083 LNYUZSDLUDUGHL-UHFFFAOYSA-N 356.426 2.191 0 40 FEAB O=C(CCn1ccnc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 58306180 UZGZIKUNYGGHJU-KRWDZBQOSA-N 362.861 2.116 0 40 FEAB Cc1c(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615153651 FXELRUAATYHXHM-HXUWFJFHSA-N 372.444 2.266 0 40 FEAB CSc1cccc(NC(=O)COC(=O)CNC(=O)c2cccs2)c1 5812658 OFBXPXISNLMTLM-UHFFFAOYSA-N 364.448 2.382 0 40 FEAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)[C@@H]2CCOC2)C1 12238858 YFRGDFXBFGDABL-DOMZBBRYSA-N 353.426 2.100 0 40 FEAB CCn1/c(=N/C(=O)c2cc(C)n(C)n2)sc2cc(C(=O)OC)ccc21 12286524 ZLGICTPATMYASC-ZCXUNETKSA-N 358.423 2.292 0 40 FEAB COc1ccc(C(C)=O)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 12532865 RTZPJBJWAKYXSQ-LBPRGKRZSA-N 374.462 2.496 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)N1CCCCCC1 14731083 OFEXRUVMEHYRNY-UHFFFAOYSA-N 353.488 2.295 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)NCCc2cccc(Cl)c2)CC1 19310614 YDDMSFXVAUNCFF-UHFFFAOYSA-N 358.891 2.060 0 40 FEAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19577643 ZMIBZYFBZYLWTR-SMDDNHRTSA-N 358.417 2.406 0 40 FEAB CNc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)cn1 19718553 NXOOIZYXUSOBPU-CYBMUJFWSA-N 350.426 2.425 0 40 FEAB Cc1ccc(S(=O)(=O)N/N=c2/c(=O)c3cccc4cccc2c43)cc1 1715608 DGVNQGQEYHWYGB-CZIZESTLSA-N 350.399 2.331 0 40 FEAB CO[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 227684362 REDVNEJHQDYVSV-QEORTHHSSA-N 355.456 2.282 0 40 FEAB Cc1ccc(OCC(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)cc1 107286131 JDZBJOPSPXUFPG-GOSISDBHSA-N 359.514 2.248 0 40 FEAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CC2(CCCOC2)C1 644480031 FKJODCZSHIHNTA-OAQYLSRUSA-N 358.482 2.043 0 40 FEAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 664736134 DDGPTAHTUXTQQO-GZBFAFLISA-N 352.456 2.084 0 40 FEAB CC(C)n1c(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)nc2ccccc21 1888881692 CQCIJNJQBKVCNM-GASCZTMLSA-N 374.510 2.477 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2ccsc2c(=O)[nH]1 13637643 BOBNYUAVAOPMAV-UHFFFAOYSA-N 367.434 2.243 0 40 FEAB Cc1ccc(-n2nnnc2CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1C 4376011 CPCIISHZZNDRFI-UHFFFAOYSA-N 374.404 2.260 0 40 FEAB CCOc1ccc(-n2nnnc2CNC(=O)NCc2ccccc2)cc1 9571428 WLCWXRXFNBBBHL-UHFFFAOYSA-N 352.398 2.060 0 40 FEAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCc1ccccc1 13808159 CDJLNNPPCFPOHI-UHFFFAOYSA-N 351.381 2.408 0 40 FEAB O=C(c1cc[nH]c1)N1CCO[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 2055759256 CXJUUTTXZBJESI-QGZVFWFLSA-N 374.404 2.333 0 40 FEAB COc1ccc(CCNC(=O)N2CCN(c3ncnc(C)c3F)CC2)cc1 1775975591 JYVRCGMHYQXBOH-UHFFFAOYSA-N 373.432 2.007 0 40 FEAB Cc1nc2ccccc2nc1N1CCC[C@H](N(C)S(=O)(=O)C2CC2)C1 2086889490 ITLHBCKKQCSVMJ-AWEZNQCLSA-N 360.483 2.331 0 40 FEAB COc1ncc(NS(=O)(=O)c2ccc(Br)cc2)c(OC)n1 585437108 RDDVLWAWNLOJAJ-UHFFFAOYSA-N 374.216 2.057 0 40 FEAB Cc1cc(C(=O)N[C@@H](C)c2cc(C)sc2C)n2ncc(C(N)=O)c2n1 40155909 KSXQORRPCPPABU-JTQLQIEISA-N 357.439 2.306 0 40 FEAB Cc1ccccc1-c1nnc(SCc2nc3c(cnn3C)c(=O)[nH]2)o1 40154963 AJFXHQWZFSLDCQ-UHFFFAOYSA-N 354.395 2.307 0 40 FEAB O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 51156524 ZNMSZZAPZIJYPQ-KRWDZBQOSA-N 366.483 2.203 0 40 FEAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)s1 31815664 HTWSNKUWZDTNFQ-SECBINFHSA-N 366.830 2.330 0 40 FEAB COc1ccc(OCCNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 32869651 QIQFKOGAAGVVBX-UHFFFAOYSA-N 365.455 2.268 0 40 FEAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCCC1 21898589 CCHSXLNCHBILNK-UHFFFAOYSA-N 350.465 2.463 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccc(C)cc1 23403982 YTQQFOYKJJBMIQ-MRXNPFEDSA-N 354.472 2.310 0 40 FEAB CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 793361 LJBZQMMJNUHJOW-FQEVSTJZSA-N 353.374 2.285 0 40 FEAB COc1cc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)ccn1 78671489 WMSDFACTNCWINJ-SFHVURJKSA-N 353.422 2.242 0 40 FEAB COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 1381031 LVWATCQWEZAMAZ-GUYCJALGSA-N 359.378 2.482 0 40 FEAB O=C(Cn1cc(I)cn1)Nc1ccc(F)cc1F 1431345 LKYPOSJGVBTTHU-UHFFFAOYSA-N 363.105 2.405 0 40 FEAB CCn1c(C)nnc1[S@@](=O)CC(=O)N(C)Cc1cccc(Cl)c1 79000099 MGZRVAWCAXNHDJ-HSZRJFAPSA-N 354.863 2.026 0 40 FEAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3n(C)c2=O)cc1 79490552 ANOQEYHTADHGAU-UHFFFAOYSA-N 364.405 2.463 0 40 FEAB O=C(OCC(=O)N1CCCC1=O)c1cc(Br)ccc1Cl 3513335 XQVHQVSNYMBBAH-UHFFFAOYSA-N 360.591 2.408 0 40 FEAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 25392415 SPVCFCUVGUOHSD-LBPRGKRZSA-N 367.858 2.281 0 40 FEAB CCCn1nnnc1NC(=O)c1ccc(OCC)c(Br)c1 6462553 HYRWSZYABMMYFL-UHFFFAOYSA-N 354.208 2.497 0 40 FEAB Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCC1 7365795 ZLZNYGMTXMKQDY-UHFFFAOYSA-N 373.478 2.495 0 40 FEAB CCN1CCOC[C@@H]1C(=O)OCc1cccc(C(=O)N2CCCCC2)c1 95454603 BGTBNGFNRRITJM-GOSISDBHSA-N 360.454 2.077 0 40 FEAB O=c1nc2n(c(O)c1[C@H]1NCCc3c1[nH]c1ccc(Cl)cc31)CCS2 102697926 JZMBEGSZDFSDCE-CQSZACIVSA-N 374.853 2.424 0 40 FEAB CCS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 57008629 XNCVXOHHIXARTM-UHFFFAOYSA-N 356.451 2.433 0 40 FEAB COc1ccc(-c2nc(CC(=O)NCCC(=O)N3CCCC3)cs2)cc1 10213207 BABNDSNHOVJZHR-UHFFFAOYSA-N 373.478 2.490 0 40 FEAB COCCN(C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)[C@H](C)COC 58154291 NMUKMCSWBPJXPG-SOLBZPMBSA-N 362.470 2.106 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)NC[C@H](O)c1cccc(F)c1 58203223 VGXPGQNOEJBJSM-HNNXBMFYSA-N 356.357 2.053 0 40 FEAB O=C(c1ccc(Cn2cncn2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58330799 BMBTUQXEYCNAGE-OALUTQOASA-N 370.453 2.127 0 40 FEAB CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 22246189 CGHQTEDOYXBCFF-GOSISDBHSA-N 360.479 2.445 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 36380231 DFEKTQJALPKHPK-UHFFFAOYSA-N 352.866 2.086 0 40 FEAB Cn1cnn(CC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1=O 95456830 PLABGMKENQAYBF-OAHLLOKOSA-N 362.842 2.203 0 40 FEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc[nH]1 2619500 DOELPRNNXZUSQK-HNNXBMFYSA-N 360.435 2.292 0 40 FEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 12390038 WLCDLYJMLCLISO-GFCCVEGCSA-N 352.412 2.298 0 40 FEAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1cccc(F)c1 12939431 CAFFEMRNBIEMED-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB O=C(NC(=O)c1ccc(Cl)c(Cl)c1)O[C@H]1CCS(=O)(=O)C1 3622456 MUYYVRWGNFUEBX-QMMMGPOBSA-N 352.195 2.047 0 40 FEAB C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O 14139079 HZVDPIQLBZMDNK-JSGCOSHPSA-N 361.467 2.433 0 40 FEAB COC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218112764 WXMVYJRRSNSDMK-CEXWTWQISA-N 361.463 2.287 0 40 FEAB Cc1nc(COc2ccccc2)sc1C(=O)NCCN1CCOCC1 36107956 BEKIHIPPPATJTM-UHFFFAOYSA-N 361.467 2.093 0 40 FEAB CCN(CCNC(=O)COc1ccccc1C(N)=O)c1cccc(C)c1 7152797 VENJSHMPOPRBMT-UHFFFAOYSA-N 355.438 2.115 0 40 FEAB CC[C@H](C)Nc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 7425525 RKCISNDTKMTVER-ZDUSSCGKSA-N 355.442 2.001 0 40 FEAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2nc3c(C)cccc3s2)CC1 7705106 VCZRHADXYXOCGE-UHFFFAOYSA-N 374.466 2.014 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 7982148 PPALJPRXGAFFHO-UHFFFAOYSA-N 374.205 2.344 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 9668571 BXKAYZBLBDUJPS-MRXNPFEDSA-N 360.479 2.445 0 40 FEAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@H](C)N(C2CCCC2)CC3)cn1 306126442 DWBUMXCUVGBFRX-HNNXBMFYSA-N 368.485 2.160 0 40 FEAB O=C(Cn1cc(Br)ccc1=O)NCCc1c[nH]c2ccccc12 8735193 JTSDCEUOBPHSAX-UHFFFAOYSA-N 374.238 2.451 0 40 FEAB O=C(NCCCc1ccccc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059817 BMEGLUWEJGMSIV-UHFFFAOYSA-N 364.453 2.318 0 40 FEAB Cc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1-n1cncn1 93017075 HJVQVNIPWOHNRM-LJQANCHMSA-N 355.486 2.120 0 40 FEAB CC(C)[C@H](C(=O)NC[C@@H]1COCCO1)n1cnc2cc(F)c(F)cc21 84409223 UBCQWSIBTPJODB-BDJLRTHQSA-N 353.369 2.043 0 40 FEAB CCC[C@](C)(NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)O 95969833 VFWNWZKLXFVGMG-KRWDZBQOSA-N 371.455 2.009 0 40 FEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(C)c2)Oc2ccccc21 113946257 HOUDMKWMAGZFCR-GOSISDBHSA-N 374.462 2.229 0 40 FEAB Cc1cccc(Cc2cnc(NC(=O)[C@H]3CCS(=O)(=O)C3)s2)c1 39995561 SJDSMCIRBSJVGH-ZDUSSCGKSA-N 350.465 2.416 0 40 FEAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCC(C)C)[C@@H]3C1=O 5789687 YCNSXBIJSKDORK-AXVVYFOYSA-N 357.406 2.181 0 40 FEAB biogenic CC(=O)N1CC[C@@H](CN(C)c2nc(-c3cccnc3)nc3c2CCC3)C1 533177838 JJLMKFGMMJXOGX-HNNXBMFYSA-N 351.454 2.332 0 40 FEAB CCn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2ccccc21 39556493 SMUOOIWBMJHYHG-DHDCSXOGSA-N 357.435 2.234 0 40 FEAB CN(C)CCn1nc([C@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 72391686 ICZXHRUAMSSEIA-AWEZNQCLSA-N 358.490 2.140 0 40 FEAB Cc1cc(C)cc(OCCN(C)C(=O)c2cnc3ccccn3c2=O)c1 40040492 LFVCCVUFIYXUFG-UHFFFAOYSA-N 351.406 2.462 0 40 FEAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 223297131 WMWQSTAUYRZXLK-UHFFFAOYSA-N 358.778 2.144 0 40 FEAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C 223261445 MWEJTEVXLWZUMI-QZTJIDSGSA-N 373.526 2.064 0 40 FEAB CC[C@H](CS(=O)(=O)Nc1cc(Br)cc(C(=O)O)c1)OC 421150375 ILXOHVPFRVBEQP-LLVKDONJSA-N 366.233 2.314 0 40 FEAB N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCCO3)C1 583619758 DDHOTCVOZPPJBG-SWLSCSKDSA-N 358.360 2.271 0 40 FEAB Cc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c(Br)c1 95471815 LOCRLLWVDQZNGS-UHFFFAOYSA-N 365.183 2.256 0 40 FEAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(Cc1cnn(C)c1)CC2 96254248 ARJMLDRHAHOZEW-UHFFFAOYSA-N 355.490 2.189 0 40 FEAB O=C(CNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96116838 JXZGPMGVGGYRDT-HNNXBMFYSA-N 367.384 2.021 0 40 FEAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1 257206630 BEHADCGEFOCEQB-OAHLLOKOSA-N 359.455 2.109 0 40 FEAB COc1cc(C)ccc1OCC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 257252911 JWQOANNTMOAHPS-PXNSSMCTSA-N 360.454 2.432 0 40 FEAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257336171 YNLVYWAVQNPZON-CQSZACIVSA-N 363.487 2.368 0 40 FEAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)n1 257241144 HWTNUNBIHHSIDW-QGTPRVQTSA-N 371.412 2.007 0 40 FEAB Cc1cccnc1[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(C)C 265220671 XEGCXUUTMJNLKT-INIZCTEOSA-N 354.458 2.409 0 40 FEAB O[C@@H]1C[C@H](NCc2ccc(OCc3ccncc3)cc2)[C@H]1n1cccn1 657515433 WMOOHIKVKCLOSX-XUVXKRRUSA-N 350.422 2.321 0 40 FEAB CN1CCc2cc([C@@H](O)CNC(=O)c3ccc4nsnc4c3)ccc21 96362321 OFJHAOUTRUPAPH-KRWDZBQOSA-N 354.435 2.147 0 40 FEAB CCc1nn(C)c(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)c1C 585275618 HLXQHFRDXYILMU-FQEVSTJZSA-N 357.454 2.255 0 40 FEAB CCOc1cccc(C(=O)N2Cc3cccn3C[C@@H](CC(=O)NC)C2)c1 585099162 QVADDZUQOUACOM-OAHLLOKOSA-N 355.438 2.295 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(CC[C@H]2CCCCN2C)c1C 84773529 ZSNYGZBIXVOCPZ-MRXNPFEDSA-N 356.536 2.405 0 40 FEAB COc1cccc2cc(C(=O)NCC3(OCCO)CCSCC3)oc12 828765310 DSMNEOWQYRMBPZ-UHFFFAOYSA-N 365.451 2.446 0 40 FEAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](C)CCO)cc1 3212071 UHWQFHBDPFAISJ-ATPAHOSSSA-N 368.433 2.353 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N(C)Cc1ccccc1 13582923 PVVSYGSIMCYVSL-UHFFFAOYSA-N 362.451 2.363 0 40 FEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCSCC1 13729916 ZCJYGLXWNHHZJP-UHFFFAOYSA-N 373.478 2.077 0 40 FEAB CCc1ccc(NC(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)cc1 15673587 IRGAARVXIVQXIV-UHFFFAOYSA-N 359.407 2.344 0 40 FEAB NC(=O)COc1ccc(-c2noc(-c3cc(C(F)(F)F)n[nH]3)n2)cc1 17073136 GTVSXGUECVUAHA-UHFFFAOYSA-N 353.260 2.010 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 17323770 LORBSOSMCWAVFC-KGLIPLIRSA-N 362.451 2.239 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cc1Cl 19214409 IVRGLVBQTOAEGU-UHFFFAOYSA-N 371.934 2.049 0 40 FEAB c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCC[C@@H]2[C@@H]1N1CCOCC1 19376660 DDVCADSEIQHMPX-PBEJRMEISA-N 368.481 2.208 0 40 FEAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)C[C@@H](C)O1 19497605 ZSWSHDIFVDAKBP-ZIAGYGMSSA-N 372.444 2.081 0 40 FEAB COc1ccc(CC(=O)NCc2cc(=O)[nH]c(-c3ccncc3)n2)cc1C 19571271 CGTZFNOQLPVNAD-UHFFFAOYSA-N 364.405 2.008 0 40 FEAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CCN1CCCCCC1 19715154 JQPNILLDNPIVFV-INIZCTEOSA-N 370.497 2.476 0 40 FEAB CCOc1nc(N(C)C)sc1-c1cncn1[C@@H](C)CN1CCOCC1 19720030 QVMZFJVCTLAXKD-ZDUSSCGKSA-N 365.503 2.365 0 40 FEAB CCc1nccn1[C@H](C)C(=O)N1CC(C(=O)Nc2cccc(OC)c2)C1 19747670 COMFQYHSKWRHAC-CYBMUJFWSA-N 356.426 2.112 0 40 FEAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)O[C@@H]1CCOC1=O 10811810 SHANYQOCCXBKCT-MRXNPFEDSA-N 353.378 2.291 0 40 FEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cccnc2O)C3)nc1 1888866478 PDQMENPFSAVROF-AUUYWEPGSA-N 354.410 2.207 0 40 FEAB COc1cc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)cc(OC)c1OC 9122410 AAKOKNIXDZUCIR-UHFFFAOYSA-N 373.369 2.057 0 40 FEAB COc1ccc(CC(=O)NCCCn2nc(-c3ccco3)ccc2=O)cc1 13797429 SKXVZSCLOKJRLC-UHFFFAOYSA-N 367.405 2.261 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 2055751056 CHGRYKVRKSLRJJ-IBGZPJMESA-N 352.394 2.405 0 40 FEAB O=C(COc1ccc(Cl)cc1)N1CCC(N2C(=O)CSC2=O)CC1 206980196 NVGOFQRWXZZEMR-UHFFFAOYSA-N 368.842 2.405 0 40 FEAB COc1cccc(CN2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)c1 2298224364 JPAJCNIPGPXLOA-UHFFFAOYSA-N 364.453 2.208 0 40 FEAB C[C@H]1CN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 72520235 ZYLDDRVNHYLXFR-GASCZTMLSA-N 351.878 2.098 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)NCCc2ccc(Cl)cc2)cc1 40024080 CFFQHELEOQUFCJ-UHFFFAOYSA-N 367.858 2.029 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc12 40144426 URPCMMPYUHUHTI-UHFFFAOYSA-N 353.411 2.386 0 40 FEAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCN1C(=O)CCC1=O 40114745 DTACULIVZNVLAX-UHFFFAOYSA-N 366.439 2.355 0 40 FEAB O=C(CCCNC(=O)c1ccsc1)Nc1cccnc1-n1cccn1 31951003 QTJLXINYBMBFAE-UHFFFAOYSA-N 355.423 2.478 0 40 FEAB O=C(NCCCc1ccccc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32096629 GMFLQRSASLPACM-KRWDZBQOSA-N 364.453 2.090 0 40 FEAB COc1ccc([C@@H](NC(=O)COc2ccccc2C(N)=O)C2CC2)cc1 21738853 WOYFCYQTENDWBM-IBGZPJMESA-N 354.406 2.440 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 32906604 DEKMVLYDNNWHIY-LBPRGKRZSA-N 358.833 2.444 0 40 FEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(N(C)C)nc3)cnc12 22421527 PKAMNEYWPSWFRM-UHFFFAOYSA-N 351.410 2.195 0 40 FEAB CC(C)(COC(=O)c1ccccc1)NC1=NS(=O)(=O)c2ccccc21 837517 BWMNHEARKPLNNZ-UHFFFAOYSA-N 358.419 2.361 0 40 FEAB CCCCNC(=O)COC(=O)c1cccc(I)c1 3289613 LXTDZZZDGIDSHJ-UHFFFAOYSA-N 361.179 2.364 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 3438057 WNYCWCOGHNHUNE-NSHDSACASA-N 354.453 2.314 0 40 FEAB O=C1CC[C@@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CN1 56460999 PKIANYHIHMGWQP-CQSZACIVSA-N 358.438 2.260 0 40 FEAB COCCCNC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 6259986 XEQACJIYVRVQEV-INIZCTEOSA-N 354.450 2.476 0 40 FEAB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 6969789 HCWRONNGANVTAI-PTNGSMBKSA-N 370.409 2.397 0 40 FEAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCCC1 57428893 SEMVYBOLULISKZ-UHFFFAOYSA-N 369.446 2.226 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1CSCN1C(=O)Nc1ccc(F)cc1 97124738 HJCCICUIFXALDG-HNNXBMFYSA-N 360.414 2.444 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C[C@@H](C)O1 84706403 RCTADBYWXRBKHK-ZNMIVQPWSA-N 374.528 2.083 0 40 FEAB O[C@H](CNc1nccc(C(F)(F)F)n1)COc1ccc2c(c1)OCO2 58160183 PAMKJLMIQKMMIH-SECBINFHSA-N 357.288 2.076 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)o3)C2=O)c1 58182750 HDXKHSAJPWTGMM-GOSISDBHSA-N 357.366 2.002 0 40 FEAB Cc1occc1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 58202948 XSPLWVBSRBIRMV-UHFFFAOYSA-N 370.405 2.348 0 40 FEAB CCCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2175279 SSPNSNXDJPWGBO-UHFFFAOYSA-N 356.378 2.459 0 40 FEAB COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H](C)O 97162838 NFUJRIWHHGWWRE-HBUWYVDXSA-N 357.406 2.160 0 40 FEAB COc1ccc(CCc2n[nH]c(NC(=O)c3ccncc3)n2)cc1OC 95477325 BGIWYFFLVIRXNL-UHFFFAOYSA-N 353.382 2.254 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1C 100394877 AHOXZZUUWXAPPA-UJWMZTGESA-N 350.418 2.359 0 40 FEAB NC(=O)NCc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 45651927 RRTTUBTXITZEPT-LJQANCHMSA-N 367.449 2.441 0 40 FEAB Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)nc2)c1C 12173097 QZWYAOPKJOLQHD-UHFFFAOYSA-N 355.438 2.230 0 40 FEAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc(F)cc(F)c1 47277594 FBKROXIZPCSFPA-UHFFFAOYSA-N 368.361 2.463 0 40 FEAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3c(C)noc3C)n2)c1 114185921 GWXHBPBQVDZQEC-UHFFFAOYSA-N 362.411 2.471 0 40 FEAB C[C@@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@@H](C)O1 3317705 OVGHWSFVKQYJBX-RKDXNWHRSA-N 371.220 2.225 0 40 FEAB COc1cc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)cc2c1OCCO2 62001412 HCBHUGFDFNCLMN-AZUAARDMSA-N 352.390 2.391 0 40 FEAB biogenic CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ncccn3)CC2)c1 48345750 AQXPQFJXYZRROK-UHFFFAOYSA-N 354.414 2.098 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 3411567 FBYORUCSLULKNO-OAQYLSRUSA-N 369.465 2.188 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)/C=C/c1cccc(C(F)(F)F)c1 3451187 ILCCTRMDRDWWLR-JARNTUPDSA-N 358.316 2.496 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 3985246 LOZAWQBBEDYVCJ-LSDHHAIUSA-N 362.433 2.303 0 40 FEAB O=C1NCCCC[C@H]1NC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 64290989 OLIBHSUDBRKMRG-OAHLLOKOSA-N 358.438 2.402 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)NCc1ccccn1 72403521 ONKKNFNZZXLUNQ-UHFFFAOYSA-N 363.417 2.447 0 40 FEAB COc1ccc(NC(=O)[C@H](N[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 14167883 QPWUDXKYPIGMFV-FUHWJXTLSA-N 374.462 2.152 0 40 FEAB COc1cc(Br)c(CC(=O)NC2CCC(O)CC2)cc1OC 14230705 VDGSUPQZZGSRRQ-UHFFFAOYSA-N 372.259 2.429 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 14239529 ODOCVSFXXMHRJR-UHFFFAOYSA-N 368.798 2.229 0 40 FEAB O=C(NC1CCCCC1)NC1CCN(C(=O)NCC(F)(F)F)CC1 67540674 UBGYWHFBWFBQAB-UHFFFAOYSA-N 350.385 2.355 0 40 FEAB CC(C)NC(=O)CNC(=O)CCCOc1cccc(Br)c1 8166792 MXDWRWQQZPYYRM-UHFFFAOYSA-N 357.248 2.249 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1C 8191952 CDZREJGYQOPWCR-QGZVFWFLSA-N 362.495 2.493 0 40 FEAB CCOC(=O)c1ccoc1COC(=O)CCn1c(=O)oc2ccccc21 17600197 UIRYGSFDCLWQOD-UHFFFAOYSA-N 359.334 2.498 0 40 FEAB Cc1sc(C(=O)NS(=O)(=O)C[C@H]2CCCO2)cc1Br 408503397 VQFDILKIGHESFK-MRVPVSSYSA-N 368.274 2.058 0 40 FEAB CCCCCNC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9690579 YJGBMODQSUEFEW-CQSZACIVSA-N 363.483 2.154 0 40 FEAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306137233 QPZDGHJNSIPKAQ-UHFFFAOYSA-N 359.499 2.318 0 40 FEAB CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408705526 HVVNAANUNWOIIB-UHFFFAOYSA-N 354.472 2.256 0 40 FEAB Cn1cc(-c2[nH]nc3c2CCC[C@@]32CCN(CCN3CCCC3)C2)cn1 306123810 AXOXZSUUEAQDCD-FQEVSTJZSA-N 354.502 2.186 0 40 FEAB COc1ccc2occ([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(=O)c2c1 524730338 FZZHBNLRMHAIAE-GFCCVEGCSA-N 367.357 2.250 0 40 FEAB biogenic CC[C@@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1cccn1 36615194 ZBHGJNKKWLDLRF-AWEZNQCLSA-N 366.443 2.381 0 40 FEAB CC[C@H](C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325320 PCUYKWNEBCKZSD-NWDGAFQWSA-N 367.496 2.500 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2cccc(Cl)c2)C1(CO)CO 218389335 UCSKFHALXUPKEV-CVEARBPZSA-N 352.839 2.251 0 40 FEAB O=C(NCc1cn2ccccc2n1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 127970932 OGQJLVLTOAQTRO-YJBOKZPZSA-N 353.470 2.493 0 40 FEAB O=C(NCc1cccnc1)c1cc(Cn2cc(-c3ccncc3)cn2)on1 66088501 MSZXIJVHUWJYCN-UHFFFAOYSA-N 360.377 2.306 0 40 FEAB CC(C)(C)N1C[C@@H](NC(=O)CCC[C@@H]2C(=O)Nc3ccccc32)CC1=O 1565524558 KRNZXQZGVRNCNV-ZFWWWQNUSA-N 357.454 2.408 0 40 FEAB COc1cccc(CCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 219016266 GGDZBPGHLIJMDQ-HDICACEKSA-N 370.449 2.085 0 40 FEAB O=C(Nc1cccc(O)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32101592 JPVVGCFIOFZWFM-LBPRGKRZSA-N 354.362 2.155 0 40 FEAB CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 39667690 ADLYOUIOWDCXKU-UHFFFAOYSA-N 354.472 2.400 0 40 FEAB COc1cc(OC)cc(-c2cccc(NC(=O)[C@@H]3CCNC(=O)C3)n2)c1 563845335 HCDXPDBNBXQJEC-GFCCVEGCSA-N 355.394 2.231 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1 222703700 SBCNHJNRQTZNQF-CQSZACIVSA-N 362.451 2.166 0 40 FEAB O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1Br 48452941 DHFBUWYOUODHHF-UHFFFAOYSA-N 354.183 2.448 0 40 FEAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 222986157 VWGLKFFSGGINRH-CRAIPNDOSA-N 362.470 2.364 0 40 FEAB Cc1cc(Cl)ccc1OCC(=O)NCCC(=O)NCc1cccnc1 48302635 SPEPUJGAWUUQQO-UHFFFAOYSA-N 361.829 2.245 0 40 FEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCC1=CCCCC1)CN2S(C)(=O)=O 224486010 APVHWDXKECOBJN-QGZVFWFLSA-N 364.467 2.139 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2cccc(C)c2)s1 223968717 LENSFOQUKPLFOY-UHFFFAOYSA-N 353.425 2.129 0 40 FEAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1CCCN1CCOCC1 223167327 SBJJNBOGLWFBNZ-QZTJIDSGSA-N 372.494 2.369 0 40 FEAB Cc1ncoc1C(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96218159 FMHQRAVULSGTPN-MRXNPFEDSA-N 357.410 2.468 0 40 FEAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cccc4c3CCC4)C2)nn1 583617732 JTUYUXSTMPETGD-HXUWFJFHSA-N 354.454 2.472 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)NC1CCCC1)C2 96238032 PLPBYVVFSXYQAE-FQEVSTJZSA-N 374.460 2.201 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226881 UMHSSFLHWDOSHJ-IEBWSBKVSA-N 371.462 2.429 0 40 FEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc21 96111946 HNOYFFSNVJBSOZ-WMZOPIPTSA-N 353.422 2.097 0 40 FEAB biogenic,in-vitro COCCC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244376 AYZMNYKPKOHVKM-HXUWFJFHSA-N 353.422 2.180 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)C[C@H](NC1CCOCC1)c1ccccc12 96241514 KUIFAQIWFJMZCY-SFHVURJKSA-N 364.511 2.193 0 40 FEAB COCCN1CCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O 96062938 OPJKIHZFSXUZNR-UHFFFAOYSA-N 350.846 2.441 0 40 FEAB CCCc1nnsc1C(=O)N1CCN(C=O)C[C@@H]1c1ccccc1OC 257321392 WBMHKOXSUAOGDQ-OAHLLOKOSA-N 374.466 2.155 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nc(C)n3C)[C@H]1O 257250152 JLGKASUFRVUKBJ-GUDVDZBRSA-N 367.453 2.223 0 40 FEAB Cc1nc(O)cc([C@H]2COCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257216982 CWZKSJXCECGTQL-GOSISDBHSA-N 353.422 2.122 0 40 FEAB O=C(CN1CCCCC1)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257290617 QDPWJLFRTWDYQD-OAHLLOKOSA-N 356.430 2.066 0 40 FEAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cc2ccsc2)C1 257288947 PWJQECNXVSFOAX-LJQANCHMSA-N 359.495 2.171 0 40 FEAB CCc1cc(C(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)[nH]n1 266192164 URMYSKWTAMVMGI-NSHDSACASA-N 360.380 2.235 0 40 FEAB Cn1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(-c2cccnc2)n1 629264707 JCASKMVYUQJTQA-KBXCAEBGSA-N 366.425 2.103 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2nc(C3CCCC3)no2)C1 1775957380 RFHMXPVSNOUNGV-KGLIPLIRSA-N 358.446 2.227 0 40 FEAB O=C(NC1CCOCC1)N1CC[C@@H](Oc2ccncc2Br)C1 1776001828 NDAMVRBGMUFHNH-GFCCVEGCSA-N 370.247 2.186 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](COc2ccccn2)C1 575406184 VXCOMNIGHQUTKS-INIZCTEOSA-N 350.378 2.260 0 40 FEAB CN1CCN(Cc2nnnn2CC2CCOCC2)c2ccc(Cl)cc21 585123539 NTRSHAKIRUJCPN-UHFFFAOYSA-N 362.865 2.210 0 40 FEAB O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 585090868 SYSZFTLUCMZKHT-SNVBAGLBSA-N 363.357 2.125 0 40 FEAB COc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc(C(=O)O)c1OC 45946242 IWMYSFOYFKNGHT-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB Cc1nc2ccccc2nc1CSc1n[nH]c(=O)n1C[C@H]1CCCO1 60384946 FCTHVFVFMXSNNV-GFCCVEGCSA-N 357.439 2.294 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnccn1 95998421 LBUSTCOSSDXDRU-SFHVURJKSA-N 363.421 2.493 0 40 FEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCc2ccccc21 42043177 UITSRKBLXIKOCX-WBVHZDCISA-N 350.484 2.037 0 40 FEAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 5905887 BYRBGCUJLRVXDT-UHFFFAOYSA-N 363.439 2.291 0 40 FEAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1cc(F)ccc1OC 13581268 ILRFNZMOKWLBMX-UHFFFAOYSA-N 360.451 2.007 0 40 FEAB CSc1nnc(NC(=O)CSc2nnc(-c3cccnc3)o2)s1 13690094 SELRQYGNTYPTNC-UHFFFAOYSA-N 366.453 2.436 0 40 FEAB CCCCc1cc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)[nH]n1 19502357 XWERCVYYIMHRNO-AWEZNQCLSA-N 356.426 2.296 0 40 FEAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(C)=O)CCO2)cc1 19694903 WMAGPMDMJQAGFB-QGZVFWFLSA-N 356.426 2.138 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(C)oc1C 4930553 JUIAMEXYFZJJFG-UHFFFAOYSA-N 367.379 2.470 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 5333096 CGENSVGJYYDFAR-VIFPVBQESA-N 363.418 2.355 0 40 FEAB CN(c1nc2c(S(C)(=O)=O)cccc2s1)C1CN(c2ccccn2)C1 1889179541 RFAZIQKRFOWRRI-UHFFFAOYSA-N 374.491 2.420 0 40 FEAB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)N2CCCCCC2)c1 14850360 ZIOIGBFTFOXFIF-UHFFFAOYSA-N 353.488 2.295 0 40 FEAB Cc1nc2ccc(N3CCN(c4nc(C5CC5)ns4)CC3)nn2c1C 2087025964 MXUVCEJSZGBFGS-UHFFFAOYSA-N 355.471 2.402 0 40 FEAB CCOc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OCC 3519885 JHHIZLSVUNUXOA-UHFFFAOYSA-N 369.377 2.403 0 40 FEAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 4370545 MUBPEJJSXMGRPT-UHFFFAOYSA-N 357.801 2.244 0 40 FEAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NC[C@@H]1CCCO1 12230578 YCULXYGZUFYLBP-KRWDZBQOSA-N 374.412 2.170 0 40 FEAB CC(C)CN1CC2(CCN(C(=O)C(C)(C)C)CC2)[C@]2(CCN(C)C2=O)C1 2055796018 LBACSGAYDGOMLL-OAQYLSRUSA-N 363.546 2.461 0 40 FEAB Cc1sc(CNC(=O)NCCNC(=O)C2CC2)nc1-c1ccccc1 50128626 ATZSEOLJJJVMGM-UHFFFAOYSA-N 358.467 2.444 0 40 FEAB Cc1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 32906603 DEKMVLYDNNWHIY-GFCCVEGCSA-N 358.833 2.444 0 40 FEAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 23248829 WYVSPPQHXGREDL-MRXNPFEDSA-N 374.529 2.108 0 40 FEAB Cc1nc(-c2ccccc2NC(=O)N2CCC(C(=O)N(C)C)CC2)no1 77678796 XBVYPFYXQNSESE-UHFFFAOYSA-N 357.414 2.377 0 40 FEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)CC3CC3)CC2)c1 54577519 CUEXZVGYCFHCNQ-UHFFFAOYSA-N 360.454 2.424 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2c(C)noc2C)N2CCOCC2)cc1 23995223 KBZKSVURRNYMFY-QGZVFWFLSA-N 359.426 2.103 0 40 FEAB COc1ccc(Br)c(C(=O)NCC(C)(C)N2CCOCC2)c1 23990001 PPSABBVYDRKLHB-UHFFFAOYSA-N 371.275 2.298 0 40 FEAB CC(C)(C)c1ccc(OCCNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 79002136 OYAXUAVSMGZWLS-CQSZACIVSA-N 353.484 2.304 0 40 FEAB C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 2140867 VMPLQZDGNIIOIG-QWHCGFSZSA-N 350.415 2.370 0 40 FEAB CN(C)CCNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3133825 GDACOVATFINODV-UHFFFAOYSA-N 367.371 2.207 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)CSc2ccccc2)C1 4029824 AWTOWIPJXQJRGL-BBWFWOEESA-N 356.491 2.421 0 40 FEAB biogenic COc1cc(OC)cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)c1 107090105 KAHHWESBGFKGNJ-HLLBOEOZSA-N 362.470 2.418 0 40 FEAB CCn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)c(C)n23)n(C)c1=O 4911994 XHASBJCULXIHHK-UHFFFAOYSA-N 365.437 2.029 0 40 FEAB CN(CC(=O)NCCc1cccc2ccccc12)c1ncnc2[nH]cnc12 57220709 PZDDEWRGFKGXGN-UHFFFAOYSA-N 360.421 2.301 0 40 FEAB NS(=O)(=O)c1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 12548550 IRUQRJHOJSGBSH-UHFFFAOYSA-N 364.448 2.063 0 40 FEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCCC(C)C)c1 58190678 GSIGSQQBRCBGCE-VOTSOKGWSA-N 371.455 2.214 0 40 FEAB CCOC(CNC(=O)COCC(F)(F)F)(OCC)c1ccccn1 95464920 CTOOVKOCBQBTSR-UHFFFAOYSA-N 350.337 2.003 0 40 FEAB C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1 58174921 FXPWDYIXZKEGJR-NUJGCVRESA-N 363.477 2.016 0 40 FEAB C[C@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)Cc1ccccc1F 58332609 JHDBPGMICOFFTH-AWEZNQCLSA-N 361.417 2.127 0 40 FEAB Cc1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 23961272 GULXGQWKMIILGP-CALCHBBNSA-N 370.449 2.140 0 40 FEAB COCCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 2273113 RGFLEDSKLUWICT-LBPRGKRZSA-N 370.409 2.149 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(C(C)=O)s2)c1 28248054 XEPOSUDZFNLYST-UHFFFAOYSA-N 356.425 2.472 0 40 FEAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(N2CCOCC2)cc1 3247004 MTLRFQKKAVSEDY-BQYQJAHWSA-N 356.378 2.311 0 40 FEAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)NC(=O)CO2 12781756 LIIFUPCCRPUHAK-UHFFFAOYSA-N 367.405 2.291 0 40 FEAB Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 108532058 RUZRTZXNRVMUPY-WBVHZDCISA-N 352.429 2.198 0 40 FEAB O=c1cc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccn12 58030731 FHQLDIYYWSNKLV-UHFFFAOYSA-N 372.310 2.415 0 40 FEAB CCCNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10371101 YLKHKVQNGBHIFA-UHFFFAOYSA-N 362.879 2.421 0 40 FEAB COc1cccc(N(CCCC(=O)NCc2ccco2)S(C)(=O)=O)c1 113967284 ZHLDYEXGMCYZFK-UHFFFAOYSA-N 366.439 2.151 0 40 FEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc2nn[nH]c12 96003943 BHSQXCUOIIPQGI-LLVKDONJSA-N 358.423 2.195 0 40 FEAB CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@H]1c1noc(C)n1 96000916 YQVJVOFICJXHHK-ZDUSSCGKSA-N 367.352 2.469 0 40 FEAB O=C1CCCN1C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 5269927 IZYQVAXSCAOIOF-UHFFFAOYSA-N 363.464 2.105 0 40 FEAB Cc1cc(CN(C)C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)no1 25137349 NKESKSKUSCVHPX-UHFFFAOYSA-N 371.418 2.304 0 40 FEAB COc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4)c(=O)n3n2)cc1 6736668 FRRMFPICSIULOZ-WJDWOHSUSA-N 365.414 2.383 0 40 FEAB NC(=O)[C@@H](CNC(=O)CCc1cc(F)ccc1F)Cc1ccc(F)cc1 68439978 YUBHCVPCLPAHFG-CQSZACIVSA-N 364.367 2.497 0 40 FEAB O=C(CC[C@H]1NC(=O)NC1=O)NCCC(c1ccccc1)c1ccccc1 7987628 COXUDKPXZVCZDL-GOSISDBHSA-N 365.433 2.313 0 40 FEAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N[C@@H]1CCCC[C@H]1CO 81476701 VXQFFBNUDFCNMF-QWHCGFSZSA-N 361.364 2.373 0 40 FEAB CN(CCc1ccccn1)S(=O)(=O)c1ccc(Br)cn1 95960401 QJGQKPPHNOFSKB-UHFFFAOYSA-N 356.245 2.102 0 40 FEAB CC(C)OCC[C@H]1CCCCN1C(=O)CCn1nc2ccccn2c1=O 72275575 KAXZTFGUJYDCKN-MRXNPFEDSA-N 360.458 2.082 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 172913530 SDCIRNNKYJZVOX-INMHGKMJSA-N 364.401 2.005 0 40 FEAB CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 89960843 QIRJBVMORQZHHD-NWDGAFQWSA-N 358.408 2.334 0 40 FEAB C[C@@H](CNC(=O)c1snc(C(=O)N2CCCC2)c1N)c1ccccc1 62006788 NAQGEBGDUVMGHM-LBPRGKRZSA-N 358.467 2.495 0 40 FEAB O=C(C1CCN(Cn2ncc3ccccc3c2=O)CC1)N1CCCCCC1 28708547 KQBGVOFPJSVNFL-UHFFFAOYSA-N 368.481 2.469 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@H](COCc3ccccn3)C2)cn1 306136346 PQOYSLUHZHSGNR-IBGZPJMESA-N 352.442 2.268 0 40 FEAB CC(C)NC(=O)N1CCO[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306127919 GKRPFZMNSINKRP-INIZCTEOSA-N 366.425 2.283 0 40 FEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCOc1ccccc1)C2=O 39998470 JHLMUBNYENXLDZ-FOIQADDNSA-N 373.453 2.072 0 40 FEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35485442 CWQLKWUYLMVUJI-JVPBZIDWSA-N 369.465 2.141 0 40 FEAB Cn1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136019 PGTAOGKHBYFQAV-XLIONFOSSA-N 354.454 2.241 0 40 FEAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 39476522 SYPJWYFJXRJCNM-UHFFFAOYSA-N 367.357 2.388 0 40 FEAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241270 UUTACKJWLPUQIZ-SJORKVTESA-N 362.813 2.490 0 40 FEAB CN(C(=O)Cc1noc2ccccc12)[C@@H]1CCCC[C@H]1S(C)(=O)=O 76500950 ORLWOGQBUKGSEC-GDBMZVCRSA-N 350.440 2.185 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 12586844 LFVFLSPHAXHMRS-ZDUSSCGKSA-N 366.343 2.418 0 40 FEAB O=C(NCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1 36359774 OPQXOUUBBKGJEA-UHFFFAOYSA-N 353.422 2.345 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 72347647 QCVTZLFJYUZZDY-QGZVFWFLSA-N 369.513 2.390 0 40 FEAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980382 MVAFPEHIGLVMCB-OAHLLOKOSA-N 368.380 2.093 0 40 FEAB O=C(NCCNC(=O)c1ccccc1Br)c1ccc(O)cc1 47545223 HGHSFNGHOYUJDP-UHFFFAOYSA-N 363.211 2.315 0 40 FEAB CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 225823147 WYRRRBAGALDUAR-UHFFFAOYSA-N 374.256 2.209 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(Cn3ccccc3=O)o2)n1 48333278 MBFIUYUXIMNPSY-CQSZACIVSA-N 368.437 2.369 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O 577778946 KBICROGNTXAMCM-UAFMIMERSA-N 363.498 2.295 0 40 FEAB O=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1)N1CCCC1 96208323 OMBLCTGTOZCXIN-UYAOXDASSA-N 358.486 2.401 0 40 FEAB CCSc1ccccc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O 90590881 WJDPPRXNKCRCRW-UHFFFAOYSA-N 374.388 2.143 0 40 FEAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)COc1ccccc1C)CC2 247838317 JXJKPCMMBQGLJY-GOSISDBHSA-N 374.481 2.107 0 40 FEAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(N)CC(=O)N32)cc1 1083103452 DKFDMUHEIROVHQ-PXNSSMCTSA-N 360.417 2.035 0 40 FEAB Cn1ccnc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 257335522 YKNSIWDELVHSJS-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nccc(CN(C)C)n1 257337013 YQZFBTPKPFJLIO-QGZVFWFLSA-N 357.458 2.439 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)c1 96024319 PCCZPUMXAFGBGS-UHFFFAOYSA-N 373.390 2.320 0 40 FEAB CCN1CC[C@H](NC(=O)N2CCC(c3cccc(F)c3F)CC2)C1=O 670050250 QHNIZBZSNQOUEQ-HNNXBMFYSA-N 351.397 2.475 0 40 FEAB CN(Cc1nnc2n1CCOCC2)C(=O)N[C@@H]1CCCc2sccc21 1615548084 MTLACOKDERLRFP-CYBMUJFWSA-N 361.471 2.131 0 40 FEAB COc1nc(CNC(=O)c2ccccc2SC(F)F)nc(OC)n1 575603750 JWJZMGRMTIUNOR-UHFFFAOYSA-N 356.354 2.134 0 40 FEAB CC[C@H](C)N(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575423601 OVOKLIFNJJSZOY-ZFWWWQNUSA-N 369.483 2.174 0 40 FEAB O=C(c1cnccn1)N1CCC2(CC1)CCN(C(=O)C1(F)CCC1)CC2 585099873 OBPKMYFXEIKVJJ-UHFFFAOYSA-N 360.433 2.214 0 40 FEAB O=C(NC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21)N1CCCC1 585112581 RLZKUZCOZVIIGP-KRWDZBQOSA-N 357.433 2.385 0 40 FEAB c1cncc(CN2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)c1 1775995003 GXQFHIWNDBUMKP-UHFFFAOYSA-N 363.469 2.499 0 40 FEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3nc4ccccc4s3)ccc21 11615514 WNXGGTCFQQLUBU-UHFFFAOYSA-N 374.447 2.288 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@H]2c2cc3nc(C)cc(O)n3n2)on1 12337034 WLQZPUHKSNZDKP-AWEZNQCLSA-N 371.397 2.036 0 40 FEAB O=C(c1ccccn1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406875 NFEHGTFDSHQNKG-NSHDSACASA-N 358.352 2.477 0 40 FEAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccnn2C)on1 19121452 IOBQZWOTRNKXCH-CQSZACIVSA-N 354.414 2.484 0 40 FEAB COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ccnc2ncnn12 19566891 VXANLRCKEIAIAZ-LBPRGKRZSA-N 353.382 2.119 0 40 FEAB CC(=O)Oc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 6305782 OZTLHSKSVZSKCM-NTEUORMPSA-N 369.427 2.353 0 40 FEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 17636010 MSDKKWCRXWGFHJ-SCZZXKLOSA-N 352.239 2.064 0 40 FEAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)Nc5ccccc5)C[C@H]4C3)nn12 1888906309 XCRXBQCDSVBZSQ-HUUCEWRRSA-N 363.425 2.033 0 40 FEAB CCN=c1ccnc(N2CCN(c3ncccc3C(F)(F)F)CC2)[nH]1 1889119521 JUEKONHKAUDRKX-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1nc(N2CCN(Cc3ccccc3F)CC2)cc(-n2cccn2)n1 1889186315 YSCGPXQMULSAFE-UHFFFAOYSA-N 352.417 2.432 0 40 FEAB COc1ncccc1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24793575 XBJTXXKXCIBJBY-UHFFFAOYSA-N 351.410 2.221 0 40 FEAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)NCc1ccccc1 327959229 AQTWDVVSISKOJZ-UHFFFAOYSA-N 352.434 2.421 0 40 FEAB O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565547092 NJMSUSDRBCRUDK-UHFFFAOYSA-N 354.385 2.275 0 40 FEAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccc4nsnc4c3)CC2)no1 49027028 HYIGQYOPEIBEMH-UHFFFAOYSA-N 371.422 2.479 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NCc1nccnc1-c1ccncc1 606440525 PMNGIJGETORXAX-UHFFFAOYSA-N 374.397 2.165 0 40 FEAB CCn1nc(C)c2c(C(=O)Nc3c(C)nn(C)c3C(=O)OC)cc(C)nc21 72251408 BUAQRBKGQUOAFJ-UHFFFAOYSA-N 370.413 2.149 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(S(C)(=O)=O)cc1 40040678 CZUWZUZQGDJDPB-UHFFFAOYSA-N 359.403 2.080 0 40 FEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(c2ccccn2)CC1 100673747 HYJVVAVGOJDGKS-FBIZOPLVSA-N 355.482 2.452 0 40 FEAB COc1cc([C@H]2OC(c3ccncc3)=NN2C(C)=O)cc(OC)c1OC 41097629 OMGHVUBIQUKBJG-GOSISDBHSA-N 357.366 2.347 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(CN2CCOC2=O)cc1 103627931 KVZNRFPQSSPPCL-UGQVUOCMSA-N 356.378 2.100 0 40 FEAB C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N1CCOCC1 24142277 VZUHPUKEZDVSEY-SECBINFHSA-N 360.361 2.088 0 40 FEAB Cc1c(C(=O)NC[C@H]2CCN(CC(C)C)C2)sc2ncn(C)c(=O)c12 79094170 RVMWXVDOKXHIJW-CYBMUJFWSA-N 362.499 2.011 0 40 FEAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609448 SUVRKQHIGWLFNP-UHFFFAOYSA-N 352.500 2.453 0 40 FEAB COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N1CCOCC1 4861246 HPYOLBKPOFYCMU-UHFFFAOYSA-N 373.453 2.046 0 40 FEAB Cc1ccc(OCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 6126520 PSYDGOIYDRWOCN-UHFFFAOYSA-N 362.451 2.020 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)[C@@H]1Cc2cc(Cl)ccc2O1 25109665 HVXBEAKJUQUELS-HNNXBMFYSA-N 356.769 2.363 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 10045183 BLVGNEOHDSPZRU-ZDUSSCGKSA-N 373.409 2.360 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)no1 8433803 BBAGKHKQLLRVOF-AWEZNQCLSA-N 371.393 2.135 0 40 FEAB CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2Cc3ccccc3O2)cs1 44499409 OXXLWVNNDIUISQ-CQSZACIVSA-N 359.451 2.400 0 40 FEAB C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 108777038 UAOFDRDJBUFBIP-IEBWSBKVSA-N 357.498 2.387 0 40 FEAB C[C@H]1CCCN([C@@H](C)CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 58162155 YVFIXMDIGIYEDR-GJZGRUSLSA-N 372.444 2.222 0 40 FEAB COC(=O)c1cccc(C(=O)NCCCNC(=O)c2ccccc2F)c1 58174548 FSJDNGLFTNFDBH-UHFFFAOYSA-N 358.369 2.162 0 40 FEAB NC(=O)[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 10269195 QUMKUKOJWIIPIY-GOSISDBHSA-N 360.417 2.317 0 40 FEAB O=C(NCCN1CCCc2ccccc21)c1cccc(N2CCNC2=O)c1 58247758 RXYOITJPFVZBFY-UHFFFAOYSA-N 364.449 2.399 0 40 FEAB COc1ccc(CCNC(=O)NC2CCN(CC(F)F)CC2)c(OC)c1 58203193 QAQGUIVDQUEHTB-UHFFFAOYSA-N 371.428 2.275 0 40 FEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58201158 HPAFXPSEIQRPCD-HIFRSBDPSA-N 360.454 2.014 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C)cc2C)c1 24361069 KOABPTYNDDYTFH-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB COCCCN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O 58965484 OUXGKCNMAWSZIP-NSHDSACASA-N 355.232 2.273 0 40 FEAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccncc2)C3)c(OC)n1 100149482 ZKCYCOJBHCZSOF-HOTGVXAUSA-N 370.453 2.009 0 40 FEAB Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)c2c(=O)[nH]n(C)c2n1 46083702 RZULOIJKBPUNCO-UHFFFAOYSA-N 350.422 2.422 0 40 FEAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCC1(c2ccccc2)CCCC1 11837846 YWNSUUQEXRVUQF-UHFFFAOYSA-N 358.467 2.388 0 40 FEAB CCC[C@](C)(NCC(=O)Nc1ccc(Br)cn1)C(=O)OC 84740006 PAEFXEHHEDBTEU-AWEZNQCLSA-N 358.236 2.104 0 40 FEAB CCOC(=O)N[C@H](CNC(=O)c1ccc(Cn2ccnc2)o1)CC(C)C 84794360 DEUQQKQLJHPFLH-AWEZNQCLSA-N 362.430 2.415 0 40 FEAB CC(C)NC(=O)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3376659 JXAXGABVNMPRKJ-UHFFFAOYSA-N 350.390 2.415 0 40 FEAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(C)cc1 12892386 FPNGYKLTGWPKHH-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NCC(C)C 3443399 YBLZKXMXBUPJRC-UHFFFAOYSA-N 359.382 2.289 0 40 FEAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3)nc2n1 6057244 DCRQANWMUMSABM-NSHDSACASA-N 357.345 2.064 0 40 FEAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc(F)c2)C1=O 9359858 XRHNIBFUQCQZSK-HXUWFJFHSA-N 367.380 2.396 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 65158754 ZMGCTEVTWRTRKM-HNNXBMFYSA-N 363.439 2.484 0 40 FEAB CN(C)CCNc1nc2[nH]nc(N)c2c2c1CN(C1CCCCC1)CC2 5207455 FJEWFWIDLDMVFF-UHFFFAOYSA-N 357.506 2.204 0 40 FEAB Cn1c(SCC(=O)NCCc2ccccc2)nc2sccc2c1=O 9385264 OGIRSOQEHPZNEO-UHFFFAOYSA-N 359.476 2.446 0 40 FEAB O=S(=O)(NC1CCN(CC2(O)CCCCC2)CC1)c1ccc(F)cc1 65510847 CDUQBFJIEBMLOE-UHFFFAOYSA-N 370.490 2.264 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 14182899 ZUQPBGGEOCTTFH-UHFFFAOYSA-N 362.389 2.160 0 40 FEAB CCOc1ccccc1NC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1 14109855 YRVBGKQYRGROBX-UHFFFAOYSA-N 366.421 2.392 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 4689007 JTFVLLLBXOEOQZ-UHFFFAOYSA-N 354.472 2.203 0 40 FEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1 6818966 LBEIPXYOXRXURH-UHFFFAOYSA-N 351.403 2.201 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 7358723 NFCFPTLKHZFGJM-UHFFFAOYSA-N 369.402 2.433 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 7437550 CNFPQBARXZXBBC-UHFFFAOYSA-N 367.449 2.258 0 40 FEAB Nc1cc(N)nc(SCc2cc3c(cc2Br)OCO3)n1 7692719 AAYPZABPXHIFIU-UHFFFAOYSA-N 355.217 2.425 0 40 FEAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 7723203 ZHXPIXUSFOVIPJ-UHFFFAOYSA-N 362.426 2.281 0 40 FEAB CC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)O)cc3)C2=O)cc1 7777718 FCSRIEYWAOJMGK-QGZVFWFLSA-N 366.373 2.260 0 40 FEAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1Cl 7908724 VPHGQXSPQBTDFP-UHFFFAOYSA-N 369.808 2.350 0 40 FEAB CN1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 17246688 CBVXLQLQYJRWDR-UHFFFAOYSA-N 365.503 2.079 0 40 FEAB COc1cc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cc(OC)c1 8748399 ASFXSAZLHWIAJZ-UHFFFAOYSA-N 363.439 2.389 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O 8778527 YTRYVXIWUIXHCQ-UHFFFAOYSA-N 373.844 2.420 0 40 FEAB Cc1c(C(=O)N2CCc3cncnc3C2)nnn1-c1cccc(Cl)c1 95396047 FQDGJJYDZWXPKY-UHFFFAOYSA-N 354.801 2.218 0 40 FEAB Cn1cc([C@H]2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CCO2)cn1 97012650 GFMHEXMWPXAABT-GOSISDBHSA-N 359.451 2.111 0 40 FEAB COc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c(OC)c1OC 32797508 ZBSXRFGQBNWZBO-GFCCVEGCSA-N 351.399 2.128 0 40 FEAB CN(C)C(=O)N1CCO[C@@H](c2nc3ccc(-c4ccccc4)cn3n2)C1 306137523 QZANMDWAFRFVSA-MRXNPFEDSA-N 351.410 2.451 0 40 FEAB Cc1ccc(NC(=O)N2CC[C@]3(CCCN(C)C3)C2)cc1N1CCNC1=O 521974802 KUBWDMJOFXVACX-FQEVSTJZSA-N 371.485 2.474 0 40 FEAB O=C(c1noc2c1COCC2)N1CCOC[C@@H]1c1cc(F)cc(F)c1 527611615 FGQXEWNCOICTJK-CQSZACIVSA-N 350.321 2.239 0 40 FEAB COc1cc(C(=O)N2CCC3(CC2)OCCO3)c(-n2cccc2)cc1OC 36357308 HIWQUKRCMFNIKP-UHFFFAOYSA-N 372.421 2.474 0 40 FEAB O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 127748281 DJMVATGNNSLTJY-RBUKOAKNSA-N 353.470 2.181 0 40 FEAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 47081001 DNCYUETYSZWQEG-UHFFFAOYSA-N 361.785 2.042 0 40 FEAB CN(c1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O 47363124 XYYBFOPIZOHYDJ-UHFFFAOYSA-N 374.462 2.441 0 40 FEAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCO)c1ccccc1 223475806 MKVZQGXHUSIHLX-IBGZPJMESA-N 358.413 2.414 0 40 FEAB Cc1cnc(N2C[C@@H]3CN(Cc4ccco4)CCC[C@]3(C(=O)O)C2)nc1 96185238 JLGKFGLYRLNXJK-KXBFYZLASA-N 356.426 2.181 0 40 FEAB O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccccc1 96602225 LCZXICCWOCJATN-DOTOQJQBSA-N 369.373 2.047 0 40 FEAB CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 96206918 JZKNMKOQDQHSFN-CVEARBPZSA-N 358.529 2.059 0 40 FEAB CCCNC(=O)c1ccc2ccc(N3CCN(C(=O)NC(C)C)CC3)n2c1 96267389 UCYRCOUBKBWADW-UHFFFAOYSA-N 371.485 2.319 0 40 FEAB O=C1CCCN1CC[C@@H]1CCOC12CN(Cc1ccc3c(c1)OCO3)C2 247849419 GBUUBSUBXHKNPX-MRXNPFEDSA-N 358.438 2.019 0 40 FEAB C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ncc[nH]2)[C@@H]1C 585138647 XLRWWZWBCMFLAA-JHJVBQTASA-N 372.491 2.112 0 40 FEAB Cn1nccc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257252465 JUVQHDMQAHDHLC-ICSRJNTNSA-N 355.438 2.401 0 40 FEAB Cc1ccsc1C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 299851566 ZPLBXCMBABFSPM-NSHDSACASA-N 353.469 2.203 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 257325537 WTJIIQRICQFFJF-MRXNPFEDSA-N 350.426 2.329 0 40 FEAB Cc1c[nH]cc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)c1=O 548009191 YZXBFIVKPIKDFD-AWEZNQCLSA-N 360.414 2.087 0 40 FEAB NC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 643994307 BTLGHMFFSSNQJS-HXUWFJFHSA-N 354.406 2.321 0 40 FEAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)C2CCCCC2)C1 96025390 NNJAPMPMUPRKTN-INIZCTEOSA-N 357.497 2.197 0 40 FEAB COc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 585271435 GPUYLPXHABZBBV-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1c2ccccc2C[C@@H]1O 57004376 BTUSSPGLLDTIFR-VQTJNVASSA-N 366.465 2.004 0 40 FEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 76082355 OJCNPPMODMBODW-UHFFFAOYSA-N 355.803 2.446 0 40 FEAB C[C@@H]1Cc2cc([C@@H](O)CN3CCCCCC3)ccc2N1S(C)(=O)=O 12180949 PZHLDGBEXDWCRT-KDOFPFPSSA-N 352.500 2.307 0 40 FEAB COc1ccccc1CCNC(=O)CCn1c(=O)n(C)c2ccccc21 14779196 MFLFIFJWLACOCJ-UHFFFAOYSA-N 353.422 2.098 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 16428815 UMQTXOYDOMESNX-UHFFFAOYSA-N 366.483 2.299 0 40 FEAB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(C)CC2)cc1 19446887 UDFUWUUCPPYUBC-SFHVURJKSA-N 358.490 2.065 0 40 FEAB Cc1nc(C)c(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)s1 19560275 PEAQLWZGRJJSFY-UHFFFAOYSA-N 373.482 2.021 0 40 FEAB COc1ccc(OCC2CCN(CC(=O)Nc3cnn(C)c3C)CC2)cc1 19658910 RHJNMOATIQWYIA-UHFFFAOYSA-N 372.469 2.467 0 40 FEAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)N3CCCCC3)C1)n2C 19747357 WHBBIHDBAWNXAV-IBGZPJMESA-N 369.465 2.340 0 40 FEAB CC(C)c1noc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CCOCC2)n1 583621968 COPOPEQVEZDRPK-KGLIPLIRSA-N 352.435 2.139 0 40 FEAB CC(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 25373897 PZHXGOGRYVMOPZ-IBGZPJMESA-N 366.527 2.201 0 40 FEAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 13849419 ONCRJCKEBFIVOJ-UHFFFAOYSA-N 354.378 2.396 0 40 FEAB O=C(/C=C/c1ccco1)N1CCC(n2cnc3ncccc3c2=O)CC1 390832016 WQJSUCZPBOOPDX-AATRIKPKSA-N 350.378 2.261 0 40 FEAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 32636528 RPZOYQJZCRGSGR-FQEVSTJZSA-N 357.454 2.188 0 40 FEAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc(-n2cnnn2)ccc1Cl 36569457 BCZKYLBFKNXXNI-CXAGYDPISA-N 374.876 2.310 0 40 FEAB biogenic COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccoc2)C(C)C)c1 40105375 DSBLRKHYSULMHG-KRWDZBQOSA-N 360.410 2.368 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)c1nc(N2CCCC2)ncc1Cl 40141723 LGQAXJFIHBUXAR-LBPRGKRZSA-N 354.838 2.048 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 30986595 ACIMVCVGLZWPLY-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 51279384 KUDQEJCDEPGCGX-ZIAGYGMSSA-N 363.433 2.293 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1O 51951717 PYXBJXCKGMSJMY-LSDHHAIUSA-N 350.415 2.283 0 40 FEAB CN(C)C(=O)Cc1nc(CSc2nnc(NC3CC3)s2)cs1 32832015 VRRFUDJRAJORFR-UHFFFAOYSA-N 355.514 2.492 0 40 FEAB O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 32911879 GKBZCMHVNGIIAI-LLVKDONJSA-N 364.389 2.348 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1[C@@H]1CCS(=O)(=O)C1 22023543 ZWKSNZTVTRFMNT-CYBMUJFWSA-N 365.407 2.097 0 40 FEAB O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]c2ccnn12 104101165 YGWKAYMYJZLWIE-KRWDZBQOSA-N 356.401 2.343 0 40 FEAB C[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1 23995628 WXXHLLJPXVPSGV-RYUDHWBXSA-N 362.289 2.332 0 40 FEAB COCc1c(C(=O)N[C@@]2(C(=O)OC)CCOC2)sc2cccc(F)c12 79071148 PWCMKDWKXSYMOS-KRWDZBQOSA-N 367.398 2.249 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1nc(-c2cccs2)no1 24726725 PDVRZQBYZPWDQH-LLVKDONJSA-N 351.428 2.435 0 40 FEAB O=C(CCC(=O)N1CCOCC1)Nc1ncc(Cc2ccccc2)s1 25065760 VAYJDSUWVYBRAF-UHFFFAOYSA-N 359.451 2.311 0 40 FEAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)n1 6593865 BNEYITXXXJFSHZ-UHFFFAOYSA-N 362.459 2.099 0 40 FEAB COC(=O)c1oc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C 25924971 PQTPQDUEJUAWLB-GFCCVEGCSA-N 366.439 2.215 0 40 FEAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2N1 8559299 QXXNOTCTTDUEAQ-QMMMGPOBSA-N 359.695 2.472 0 40 FEAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(C)=O)CC1 107830468 AZVQMDKZOBVZMW-UHFFFAOYSA-N 368.890 2.232 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 27591530 OGMUBORQIKWIAA-KRWDZBQOSA-N 364.442 2.262 0 40 FEAB CCNC(=O)NC(=O)CN1c2ccccc2[C@H](C(=O)N[C@@H](C)CC)C[C@@H]1C 58225049 OXILJYXFYPARSK-OFQRWUPVSA-N 374.485 2.129 0 40 FEAB Cc1cc(C)n2nc(CC(=O)Nc3ccc4c(C)cc(=O)oc4c3)nc2n1 57849732 NGQLKFVZABFVJF-UHFFFAOYSA-N 363.377 2.337 0 40 FEAB C[C@H]1CN(C(=O)CCNC(=O)CCOc2ccccc2Cl)C[C@@H](C)O1 58378439 BQISQABNLXKMQJ-OKILXGFUSA-N 368.861 2.251 0 40 FEAB Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)cc(=O)n(C)c1=O 10610905 KIFVPGUNRAJBKG-UHFFFAOYSA-N 370.478 2.073 0 40 FEAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2cccc(C)c2)C1=O 100750185 BFIVCHGIBSGOQY-GDNBJRDFSA-N 365.393 2.273 0 40 FEAB NC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 107939539 QYMYEINXAVDRLO-YVLHZVERSA-N 374.400 2.220 0 40 FEAB Cc1oncc1C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 107194690 HJSIEPQSUJNZKI-HNAYVOBHSA-N 357.410 2.468 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)CC(C)(C)C)c1 3253773 PPKGYNFUOCLGEV-UHFFFAOYSA-N 365.382 2.178 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 47478360 VHXFCTHUKMMYHT-GFCCVEGCSA-N 369.450 2.439 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505584 MVMJOKZRASVVLO-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC2CCCCC2)c1C 3587550 CNSMMLXUJWBBME-UHFFFAOYSA-N 350.415 2.414 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)o1 48985470 KPLKIZJWBHMLAC-CYBMUJFWSA-N 357.410 2.035 0 40 FEAB COc1ccc(-c2nc3c(=O)n(C)c(=O)[nH]c3n2Cc2ccccc2)cc1 4059873 ZIACZZORZVNXEB-UHFFFAOYSA-N 362.389 2.147 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc2c1OC 4000476 ITELAQDMZGGDMB-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB biogenic CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(Cl)cc1F 13778046 YGTSCBQHWVCNRT-GFCCVEGCSA-N 359.785 2.044 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)s2)c1 39980525 MFXCALDBLHSXDC-UHFFFAOYSA-N 355.441 2.194 0 40 FEAB CNC(=O)CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 14246522 WYYYKIVIJSHFMJ-UHFFFAOYSA-N 362.433 2.416 0 40 FEAB Cn1ncc2c(N3CCN(C(=O)CCCc4cccs4)CC3)ncnc21 14731118 OSKGVLXYEBCFAQ-UHFFFAOYSA-N 370.482 2.096 0 40 FEAB COc1cc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc(OC)c1 6945537 PNGCCMZSNZEFNK-UHFFFAOYSA-N 353.382 2.304 0 40 FEAB O=C(COc1ccccc1Br)NC(=O)NCc1ccco1 5999951 IUIINNLECWRTRA-UHFFFAOYSA-N 353.172 2.447 0 40 FEAB Cc1csc(=O)n1CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 15814091 KRVNANQSFKYTCI-UHFFFAOYSA-N 365.886 2.216 0 40 FEAB C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1nnnn1-c1ccccc1 71801233 OUWDPAJKWVOEGS-QDXKXIGTSA-N 373.413 2.077 0 40 FEAB COCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 63926230 QOGFZBCPEZMBHQ-UHFFFAOYSA-N 369.421 2.360 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 8708718 VSCXBSCWFBZQHY-NSHDSACASA-N 354.204 2.108 0 40 FEAB Cc1sc2ncnc(SCC(=O)N3CCC[C@@H](C(N)=O)C3)c2c1C 8767811 LQZNOWQYGFIKRM-LLVKDONJSA-N 364.496 2.124 0 40 FEAB COc1ccc(-c2nc3ccccc3c(=O)n2NC(=S)N(C)C)cc1 8830106 BEOFUFFOBJWCLT-UHFFFAOYSA-N 354.435 2.462 0 40 FEAB COCCN(CCOC)Cc1nc(N)c2c3c(sc2n1)CCCC3 96992719 PBZFPHLRKCPWRH-UHFFFAOYSA-N 350.488 2.247 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCCC2(C)C)cc1S(=O)(=O)NC1CC1 75105485 KEURDQVKTDOMSC-MRXNPFEDSA-N 366.483 2.444 0 40 FEAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl 408553130 OCIPAGGSROEWEE-UHFFFAOYSA-N 363.776 2.481 0 40 FEAB COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 27693429 KAQOLBUZCRHVTL-UHFFFAOYSA-N 365.433 2.495 0 40 FEAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCCO)sc2n1 408618302 FZPXPPZEEBRLPX-UHFFFAOYSA-N 352.485 2.126 0 40 FEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC[C@H](c2cccnc2)C1 566357521 ATYFRZNJZDTVPK-KDOFPFPSSA-N 353.422 2.274 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(C)cc1 226389133 VGLRCBKEWISIEM-KSCVBYKOSA-N 350.418 2.359 0 40 FEAB Cc1cc(O)nc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)c1 575785227 YPSIOTVLBSYIIK-HKUYNNGSSA-N 355.438 2.240 0 40 FEAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccc1F 80331419 KEZIFRVJKOYBDW-UHFFFAOYSA-N 370.428 2.292 0 40 FEAB O=C1CC[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H](c2ccccc2)N1 575968955 LVFITVIGZXMZLN-QRWLVFNGSA-N 352.390 2.094 0 40 FEAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225192542 GBCWHFGOQVVNGV-NSHDSACASA-N 362.879 2.275 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 223303287 VULIRCCJEDKABI-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB CN1CCN(C[C@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccccc2)CC1 582964044 SJADKUXVFWWVSA-IBGZPJMESA-N 367.449 2.103 0 40 FEAB Cc1ccc(N2CCC3(CCN(C(=O)c4cnccn4)CC3)CC2)nn1 96047355 ABUJGYDAJLLERO-UHFFFAOYSA-N 352.442 2.098 0 40 FEAB O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(C(=O)c3cscn3)[C@@H]2C1 96090593 YPTLFGDDGLIQEM-SWLSCSKDSA-N 361.854 2.322 0 40 FEAB CN1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1 96146805 MVFDNFFWYJXIQY-UHFFFAOYSA-N 373.453 2.478 0 40 FEAB CN(C)C(=O)[C@H]1OC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96058387 DXNQNAICRWKQGD-SFHVURJKSA-N 365.433 2.373 0 40 FEAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)c1cnccn1)CC2 96199656 YNXAGRQYPUYTDZ-INIZCTEOSA-N 350.422 2.097 0 40 FEAB CC(C)(C)OC(=O)N1CCC(c2nnnn2-c2ccc(C(=O)O)cc2)CC1 91690024 JKAKETDLRQUBCR-UHFFFAOYSA-N 373.413 2.475 0 40 FEAB Cc1nn(C)cc1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257296745 REFIEIXJSUMYPM-IBGZPJMESA-N 357.458 2.183 0 40 FEAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)c2cccnn2)C1 257284969 PFCCPRZVKJHDPW-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC[C@@H]1O 257286600 PMETWAJXGUQLNN-HOCLYGCPSA-N 361.417 2.045 0 40 FEAB Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1cnn2ccccc12 624044003 DWQGHSDHHOIGQD-UHFFFAOYSA-N 352.320 2.086 0 40 FEAB CCOC(=O)c1csc(NS(=O)(=O)Cc2noc3ccccc23)n1 96124222 VLHDDPOSHSRJMO-UHFFFAOYSA-N 367.408 2.403 0 40 FEAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 390827834 KXAXLUPEBDHXBY-LBPRGKRZSA-N 369.393 2.214 0 40 FEAB Cc1ccccc1C[C@]1(CO)CN(Cc2cccc(C(=O)O)c2)CCO1 585276232 DWDBTLTTZBADIJ-OAQYLSRUSA-N 355.434 2.499 0 40 FEAB O=C(CCCc1ccncc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585270941 CPCKXEMLDYKSPD-NRFANRHFSA-N 354.450 2.237 0 40 FEAB Cc1cccc(OCCNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 36869877 ICQJQGWBPSAENO-UHFFFAOYSA-N 373.453 2.087 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCn1ncc(=O)c2ccccc21 53025198 OFMXYQBRHFHDFC-GJZGRUSLSA-N 371.437 2.119 0 40 FEAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(OC)c1O 716595 XUNAVOHRHRXQKI-OQLLNIDSSA-N 354.387 2.180 0 40 FEAB COc1cccc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)c1 12086732 PGZVXCTVTAGUMP-NRFANRHFSA-N 366.417 2.492 0 40 FEAB Cc1nn(CC(=O)NCCc2ccc(F)cc2)c(=O)c2cc3occc3n12 12115435 YBWPLLHNLPQYAZ-UHFFFAOYSA-N 368.368 2.049 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(F)cc4)CC3)ccc21 12240315 BCFFOCUFBRHDJC-UHFFFAOYSA-N 362.382 2.238 0 40 FEAB CCn1nccc1-c1cc(C(=O)OC)n2ncc(Br)c2n1 13645563 CHZXHBOWNXMVRG-UHFFFAOYSA-N 350.176 2.162 0 40 FEAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2 19017222 FEHLMPOVRXBJRE-LJQANCHMSA-N 364.449 2.287 0 40 FEAB Cc1cc(-c2cnc(NCCN3CCOCC3)nc2[C@@H]2CCCO2)on1 19122675 DFHYXHWDADQVRE-HNNXBMFYSA-N 359.430 2.036 0 40 FEAB OCCN1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 19369636 YGXJFOXNUSUEHQ-HXUWFJFHSA-N 362.514 2.084 0 40 FEAB CNC(=O)C[C@@]1(O)CCCN(c2ccnc3cc(F)c(Cl)cc23)C1 643719738 IXBFNDLRTAUBKH-KRWDZBQOSA-N 351.809 2.495 0 40 FEAB O=C(c1ccno1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843362 FOJACBXQZXKZEF-PHIMTYICSA-N 352.316 2.297 0 40 FEAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ncccn3)CC2)n1 1888860398 UBYACSZWIWOYJN-UHFFFAOYSA-N 372.498 2.209 0 40 FEAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2CC(N)=O)c(C)n1C1CC1 23351714 YRWYEFSEOLSBEO-UHFFFAOYSA-N 373.482 2.369 0 40 FEAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 4096117 YCLWEYIBFOLMEM-FNLRALKVSA-N 362.466 2.070 0 40 FEAB endogenous,in-man COc1nn(C)cc1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 240178508 YYCFJTPKCGHION-INIZCTEOSA-N 363.464 2.218 0 40 FEAB Cc1nc(CN2CCOC3(CCN(C(=O)c4cc[nH]c4)CC3)C2)cs1 1565546420 AUOPGJJJBJSPNU-UHFFFAOYSA-N 360.483 2.287 0 40 FEAB Cn1nc(-c2ccccn2)cc1CNC(=O)c1ccc2nsnc2c1 1775966792 ZLHBIKSBEIFVIW-UHFFFAOYSA-N 350.407 2.417 0 40 FEAB Cn1cc(C(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)nn1 207016384 JXWBDBJLFWDGSE-LLVKDONJSA-N 358.427 2.022 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2nsnc2c1 38677511 ZVOGEPSWOSJXRC-UHFFFAOYSA-N 374.447 2.484 0 40 FEAB O=C(CCc1ccccc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19370730 HJDXECDWXAGICQ-QGZVFWFLSA-N 350.466 2.461 0 40 FEAB COc1ccc(CNC(=O)c2cc(-n3cnnn3)ccc2Cl)cc1OC 20426767 CMWSEAVMHKPWSR-UHFFFAOYSA-N 373.800 2.263 0 40 FEAB CC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O 20589696 UUTDSVGUCMMWKZ-MRXNPFEDSA-N 365.311 2.463 0 40 FEAB COc1ccc(-c2nc(CC(=O)NCCCC(=O)O)cs2)cc1OC 20718540 YTOVYOOPOQLOAP-UHFFFAOYSA-N 364.423 2.351 0 40 FEAB Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)o1 20853715 YGRVJLTULSUKBQ-MDZDMXLPSA-N 354.406 2.493 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32768577 HDBHINRMAGIPIY-CQSZACIVSA-N 365.451 2.121 0 40 FEAB CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 52774064 CWEZFFPUYLEAEY-CXAGYDPISA-N 350.484 2.011 0 40 FEAB Cc1nc2ccccc2n1CCCNC(=O)c1ccc(OCC(N)=O)cc1 53266928 NWQIBXXCTIFZNJ-UHFFFAOYSA-N 366.421 2.029 0 40 FEAB C[C@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 41782133 RWPKOXXLZXJXRV-XHDPSFHLSA-N 360.426 2.328 0 40 FEAB Cc1ccccc1Cc1noc(CN2CCC[C@H]2CN2CCOCC2)n1 79465130 DFJVFQUDUDWNJB-SFHVURJKSA-N 356.470 2.265 0 40 FEAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccco2)cc1OC 24838001 TZMQHMNWGBXDQD-AWEZNQCLSA-N 358.394 2.390 0 40 FEAB CCN(CC)C[C@@H](C)NC(=O)CCn1nc(C)c(Br)c1C 2780993 LSJVPBYVSASUMO-LLVKDONJSA-N 359.312 2.499 0 40 FEAB CCc1nnc(NC(=O)CSc2nnc(C(C)C)n2CCOC)s1 4879522 WRABNBVPIDELPB-UHFFFAOYSA-N 370.504 2.193 0 40 FEAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 6238467 QKDSKQQJIKVVKS-UHFFFAOYSA-N 352.485 2.379 0 40 FEAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 6818297 FNYBNWVTNZZLOP-UHFFFAOYSA-N 354.457 2.348 0 40 FEAB CCCCn1c(S[C@@H](C)C(=O)OC)nc2cc(S(N)(=O)=O)ccc21 7807391 PEZXPSFJIMIBCX-JTQLQIEISA-N 371.484 2.137 0 40 FEAB O=C(CCNc1ncccn1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 58183759 KFPJEWDAPPLQDX-SFHVURJKSA-N 354.410 2.317 0 40 FEAB C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 58283093 QCTBDMHICNWLQF-WVQJBOLRSA-N 353.378 2.262 0 40 FEAB Cc1ccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1Cl 103000982 HWPRQLGQDMMXGH-RTXFEEFZSA-N 352.803 2.016 0 40 FEAB biogenic COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nnc(C3CC3)s2)c1 58857444 LDVRDEXXNZJZBM-LBPRGKRZSA-N 364.427 2.288 0 40 FEAB O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccccc1Cl 36451991 OIZFRGDDDVCGSQ-UHFFFAOYSA-N 358.829 2.132 0 40 FEAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc1 2371223 BWGIUYPOQDGXKU-UHFFFAOYSA-N 359.411 2.381 0 40 FEAB O=C(O)c1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 95352037 OHQRHBXVGQVEGA-UHFFFAOYSA-N 366.333 2.409 0 40 FEAB CSc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2644838 VLLLVJDYDZDFEQ-UHFFFAOYSA-N 350.465 2.028 0 40 FEAB C[C@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)ccc2O1 10298757 IPZCFSVUXSDBFR-OKHBPPCESA-N 364.357 2.382 0 40 FEAB O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NN1CCOCC1 2771031 ABGULVXQLNMREC-UHFFFAOYSA-N 366.771 2.186 0 40 FEAB CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)nn1C 2795548 KUKXWQPLLJTLFP-UHFFFAOYSA-N 369.324 2.459 0 40 FEAB Cc1ccn(Cc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)n1 2808748 FTDVFHRAOCQNLP-UHFFFAOYSA-N 351.439 2.354 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NOC)cc1 48241444 COSRMXZCUPVKKI-UHFFFAOYSA-N 366.414 2.328 0 40 FEAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Cl)cc1F 3544475 RPSHJPQHMZEXMF-UHFFFAOYSA-N 367.764 2.151 0 40 FEAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)CC1 71326415 DDIFBGBHJAIIFI-UHFFFAOYSA-N 371.441 2.235 0 40 FEAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C[C@@H]3CCCO3)CC(=O)N21 4029248 BLFCOEKPOUONKU-GUYCJALGSA-N 367.449 2.178 0 40 FEAB biogenic O=C(CNC(=O)c1ccco1)OCc1cc(=O)oc2cc3c(cc12)CCC3 6151309 PLMACXQEIGSHLV-UHFFFAOYSA-N 367.357 2.348 0 40 FEAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 26974928 WGPCWIALALJHDC-UHFFFAOYSA-N 366.414 2.311 0 40 FEAB CC(C)c1ccc(CCNC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 14110632 RNBVFFXEADMTMM-UHFFFAOYSA-N 357.498 2.023 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2cccc(NC(C)=O)c2)c1 5989757 JHULFVYLZOYSOE-UHFFFAOYSA-N 356.378 2.127 0 40 FEAB CCc1cc(N[C@H]2CCCN(c3ccccc3F)C2=O)n2ncnc2n1 90149877 CLZIQGZUWPFLAD-AWEZNQCLSA-N 354.389 2.433 0 40 FEAB Cc1cc(NCCNC(=O)[C@]2(C)CCc3ccccc3C2)n2ncnc2n1 81459422 HZWCBDNCHYAVKP-HXUWFJFHSA-N 364.453 2.156 0 40 FEAB CC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 8281945 ISUZVQQSZAYKGX-GOSISDBHSA-N 355.346 2.211 0 40 FEAB CCc1cccc(OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 18023048 HYGJOUJCEZXMGM-UHFFFAOYSA-N 359.426 2.160 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 18707648 UYRZFRITNDNVCW-UHFFFAOYSA-N 360.391 2.159 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 8994336 ZMWVXYYKUDAIQF-LLVKDONJSA-N 356.300 2.227 0 40 FEAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCCn1cccn1 95996411 DEKUKQFPVQVEIV-UHFFFAOYSA-N 354.407 2.028 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)c1C 89925071 QNAQRGHTUWHXLZ-LJQANCHMSA-N 372.469 2.196 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 27401241 WFERWQLSUFHUTO-UHFFFAOYSA-N 352.346 2.379 0 40 FEAB COC[C@H](C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704887 VEFPIIYVMJOKRE-ZDUSSCGKSA-N 362.451 2.280 0 40 FEAB COC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218545978 XMOZQAIUUQOTIE-RYRKJORJSA-N 364.394 2.483 0 40 FEAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 36106026 SFEZFBGZKRMHQI-UHFFFAOYSA-N 356.806 2.074 0 40 FEAB Cc1cccnc1OC1CCN(Cc2nnnn2Cc2ccccc2)CC1 562067048 SVNLICNQIRUGLR-UHFFFAOYSA-N 364.453 2.468 0 40 FEAB Cc1nccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)CC2)n1 563783265 CYVNWMZGGSXPTK-OAHLLOKOSA-N 366.465 2.390 0 40 FEAB CCOC(=O)C[C@H](c1ccc(F)c(F)c1F)c1oc(CO)cc(=O)c1O 71286239 BZASDRYVICMPIC-SNVBAGLBSA-N 372.295 2.340 0 40 FEAB Cc1n[nH]c(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225723836 YOCLFLOFINRGIE-UHFFFAOYSA-N 368.363 2.234 0 40 FEAB CC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1OC)c1c(C)noc1C 569336976 VTEFMGMRMOZOBB-GFCCVEGCSA-N 368.411 2.428 0 40 FEAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCN1CCOCC1 45162690 CWABIARUQCKIPX-CYBMUJFWSA-N 371.275 2.055 0 40 FEAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 46561570 KGXREKFRMULXNO-AWEZNQCLSA-N 350.846 2.218 0 40 FEAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 223304565 XEDLPMYSPDDIRY-UHFFFAOYSA-N 370.377 2.233 0 40 FEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)ccc21 224785121 KLBWIRATVLPPGA-MRRJBJDNSA-N 360.479 2.453 0 40 FEAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906343 RIESOFASWWFKRT-CYBMUJFWSA-N 365.503 2.187 0 40 FEAB CSc1nnc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)s1 224926568 MIEWHEIZCBSUKE-SECBINFHSA-N 372.497 2.053 0 40 FEAB O=C(O)CC[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 96182857 KRBACRNSYPDOCQ-OAHLLOKOSA-N 369.439 2.331 0 40 FEAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)C(C)(C)C 96520926 MWFLCVWMKJBIHO-LURJTMIESA-N 352.088 2.272 0 40 FEAB CCc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 96105489 JUYKLRZYIMGVMY-UHFFFAOYSA-N 357.454 2.366 0 40 FEAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)CC(C)(C)C)CC[C@@H]21 96251578 VRBUDLRPUDTVRX-JKSUJKDBSA-N 358.548 2.169 0 40 FEAB CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)CC1 521395822 GNJGHGVFVKEINC-NRFANRHFSA-N 373.497 2.213 0 40 FEAB Cc1noc(C)c1CC(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257237273 HFVBBMFZISBQNA-ZHALLVOQSA-N 359.426 2.048 0 40 FEAB O=C(CN1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1)N1CCCCC1 257270109 MSUZKMWURNBFAG-ROUUACIJSA-N 350.434 2.042 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257215649 CRAKDSQACVPUNS-GOSISDBHSA-N 357.458 2.447 0 40 FEAB COc1ccc(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cc1 257243027 IFFSHAJJJRKMOU-GOSISDBHSA-N 355.438 2.075 0 40 FEAB CO[C@H](CS(=O)(=O)Nc1ccc(-c2coc(C)n2)cc1)[C@@H]1CCOC1 656615784 GIRZHJFHYNBWHS-RHSMWYFYSA-N 366.439 2.443 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]43)cc2NC1=O 665562476 PUZJHDKQCLMNTF-ASEORRQLSA-N 357.410 2.039 0 40 FEAB Cc1nn(C)c(=O)c(-c2nc(CN[C@@](C)(CO)C(C)C)cs2)c1C 685598260 COKGEQDNFPLNNJ-KRWDZBQOSA-N 350.488 2.017 0 40 FEAB O=C(NC[C@@H]1CC12CCN(C(=O)Cc1ccc(F)cn1)CC2)C1CCC1 585101565 NGLPIDCVDZOQBQ-HNNXBMFYSA-N 359.445 2.308 0 40 FEAB C[C@H]1c2ncc(CCOCC3CCC3)n2CCN1C(=O)c1ccnn1C 585097706 MYJBLYZEFQSYNY-AWEZNQCLSA-N 357.458 2.193 0 40 FEAB C[C@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(CN2CCCC2)cc1 66927446 TVGMQHDJDLLMAK-HNNXBMFYSA-N 359.470 2.152 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc1 1255068332 YSHYAIZMFZTFNL-UHFFFAOYSA-N 365.430 2.410 0 40 FEAB O[C@H]1CCN(Cc2ccccn2)c2ccccc2OCCCCOC[C@H]1O 1615162416 XDMBPBURYLLJEH-VQTJNVASSA-N 372.465 2.389 0 40 FEAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1ccccc1F 5675514 HCHGXWQUPPHVCW-MDWZMJQESA-N 372.377 2.399 0 40 FEAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCCC1 16490278 LPRGVDOJBPEYEX-UHFFFAOYSA-N 360.435 2.489 0 40 FEAB O=C(CCc1ccco1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643586067 VVLKJXSSNRRIQQ-QKYXUNIQSA-N 359.397 2.497 0 40 FEAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)NCc1ccccc1 36389896 MQTIMXYYQZDVMK-UHFFFAOYSA-N 352.438 2.153 0 40 FEAB C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)N1CCc2ccccc21 4538199 HURRISSABCJGSW-LLVKDONJSA-N 355.423 2.322 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)o1 7007092 HVOQNERWNDOXAN-QGZVFWFLSA-N 364.304 2.312 0 40 FEAB COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ccncc2C)CC1 1889138768 JJSNWALFUSGORW-UHFFFAOYSA-N 371.437 2.029 0 40 FEAB CC1CCN(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)CC1 2037913144 WCHYPFYNROLORJ-FQEVSTJZSA-N 364.461 2.290 0 40 FEAB CCn1cc(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c(C)n1 2037984162 RYAGMAFUYHQEKL-NRFANRHFSA-N 368.481 2.467 0 40 FEAB CCc1ccc(C(=O)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cn1 1565556284 QKPGGJJKDJLDNF-QUCCMNQESA-N 353.422 2.492 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 2055835588 OSVUPKOKMNNYDX-FQEVSTJZSA-N 352.438 2.388 0 40 FEAB Cc1ccc(Cn2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)cc1 20488630 KKOKIXRKAXXPRJ-UHFFFAOYSA-N 367.380 2.145 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 40088413 AWAGOHKRQIMLRB-AWEZNQCLSA-N 358.891 2.408 0 40 FEAB CN1CCN(CC(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)CC1 31814043 SCSNHPYROYSSQH-SFHVURJKSA-N 359.445 2.304 0 40 FEAB C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 51279383 KUDQEJCDEPGCGX-UONOGXRCSA-N 363.433 2.293 0 40 FEAB COCCNC(=O)[C@H](C)SCc1ccc(C(=O)N2CCCC2)cc1 32814583 CDVPXOZJDKFGMG-AWEZNQCLSA-N 350.484 2.307 0 40 FEAB O=C(Nn1cnc2ccccc2c1=O)c1cccc(OC[C@@H]2CCCO2)c1 32903064 GRLIPUYWCBSBON-INIZCTEOSA-N 365.389 2.338 0 40 FEAB C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)NC(=O)NC1CC1 21998788 RQSCDORGTGTPQS-MRVPVSSYSA-N 365.436 2.405 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 24032404 HNEVDVUADZMQRQ-FZKQIMNGSA-N 355.394 2.085 0 40 FEAB CCN(CC)C(=O)CSc1nnc(COc2cccc(OC)c2)n1C 929220 CIHLBMRPPPUWOO-UHFFFAOYSA-N 364.471 2.363 0 40 FEAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCOCC1 1079046 CNJCZBHAOUQCTR-UHFFFAOYSA-N 374.462 2.125 0 40 FEAB C[C@@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(Br)cc1F 79487627 YEVPZTQVAMGLPS-AWEZNQCLSA-N 359.195 2.466 0 40 FEAB CNC(=O)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 6056180 GJYLGSDKOIMHGR-UHFFFAOYSA-N 363.197 2.151 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)CCCn1c(=O)oc2ccccc21 44700769 HPRGJSPTNHBBLR-UHFFFAOYSA-N 369.377 2.121 0 40 FEAB COc1ccc(NC(=O)CCc2c(C)nc(-c3ccccn3)[nH]c2=O)cn1 58192926 ZJXFEXVHWOXGPS-UHFFFAOYSA-N 365.393 2.115 0 40 FEAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N[C@H]1CCS(=O)(=O)C1 58454642 JOFQWEAMLROWCU-NSHDSACASA-N 351.453 2.482 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)NCCCc2nnc3n2CCCC3)c1 95467230 XRGJAWRSHAFYTC-UHFFFAOYSA-N 371.441 2.464 0 40 FEAB O=C(COC(=O)c1cc2ccccc2oc1=O)NCc1ccc(F)cc1 11341174 NSCNLMRMDPMTLV-UHFFFAOYSA-N 355.321 2.405 0 40 FEAB C[C@@H](Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc(C(N)=O)cc1 46818867 HMUYXUNGJJYFAI-CQSZACIVSA-N 363.421 2.469 0 40 FEAB O=C([C@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1)N1CCCC1 48289799 FSPKXOZLLJKPMM-QGZVFWFLSA-N 352.438 2.496 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NC(C(C)C)C(C)C)Oc2ccccc21 10009126 QQPYLPLQXOBUBW-INIZCTEOSA-N 368.499 2.401 0 40 FEAB COc1ccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 10297391 HZQXQDDRHPRCOC-HNNXBMFYSA-N 363.337 2.132 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(O)cc1O 3435055 MUVLWWQLJACLQV-UHFFFAOYSA-N 370.361 2.019 0 40 FEAB O=C(c1cc(Br)ccc1F)N1CCC(N2CCNC2=O)CC1 48401987 KSFHCQONZCXOBT-UHFFFAOYSA-N 370.222 2.218 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 12989297 JIVGLSFZJWMJOS-UHFFFAOYSA-N 351.406 2.490 0 40 FEAB N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@@H]12 38339219 NYYBPASOTOAXQW-LPHOPBHVSA-N 366.442 2.446 0 40 FEAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(C)=O)cc2Cl)CC1 408624903 DILJNEDHBJFXTB-UHFFFAOYSA-N 368.890 2.232 0 40 FEAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1 4047061 DYARLRSVTDNABY-PXNSSMCTSA-N 364.401 2.471 0 40 FEAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1OC 5022829 YHZXOYUJGCFJLF-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]12 5274405 VWFVWDKSWMXPKS-DVOMOZLQSA-N 355.438 2.130 0 40 FEAB C[S@](=O)c1ccc(C(=O)NCc2nc(Cc3ccccc3)no2)cc1 65490152 DLGYNXOZGPQXKU-RUZDIDTESA-N 355.419 2.328 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 65522688 IYULEHFFIFBKLZ-CABCVRRESA-N 370.902 2.231 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CCC(C)CC2)c1C 14157870 DJIQITGNSDUVSL-UHFFFAOYSA-N 350.415 2.270 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 4555442 MJUHEKJAOULGPC-KRWDZBQOSA-N 367.401 2.470 0 40 FEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 14200845 QIFDWSQNDKTRRV-GOSISDBHSA-N 359.332 2.031 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O 14345088 KEONMYIJPXCWEA-ZDUSSCGKSA-N 360.439 2.454 0 40 FEAB COc1ccc(N2C(SCC(C)C)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6673371 WHULVTWIIUXAGF-HUUCEWRRSA-N 354.497 2.426 0 40 FEAB O=C1CCCN1CCC1CCN(C2=CC(=O)N(c3ccccc3)C2=O)CC1 4770840 WOIKVWRABXGKJY-UHFFFAOYSA-N 367.449 2.168 0 40 FEAB Cc1ccc(-c2cnc(CNC(=O)CNc3ccc(C(N)=O)cc3)o2)cc1 74172717 FULFWUOXRPHZAJ-UHFFFAOYSA-N 364.405 2.477 0 40 FEAB O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857027 YCDWLJXCTUYULF-INIZCTEOSA-N 350.484 2.287 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1cccnc1 95985618 DLUFCKFZEPERCC-UHFFFAOYSA-N 351.366 2.377 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2cc(Br)cn2)o1 27980897 OBHLTQPJOUNICG-LLVKDONJSA-N 354.204 2.196 0 40 FEAB COc1cc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc(OC)c1 15555318 NAZYOZLMKLVJCX-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1N1CCOC1=O 67988219 KOQZDZIFCMMAAC-CHWSQXEVSA-N 360.366 2.257 0 40 FEAB CC[C@H](O)CN1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn23)CC1 89943326 JMCOIAYBYXWEIP-LBPRGKRZSA-N 372.395 2.099 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9753231 RYCLVTLQJCKWCY-UHFFFAOYSA-N 358.419 2.235 0 40 FEAB COc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2N)cc1OC 8991127 IQGPWZXBXJLANE-LBPRGKRZSA-N 367.409 2.358 0 40 FEAB O=C(Nc1cccc(O)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 96965305 UZRLAHCVSMXCCB-LBPRGKRZSA-N 366.464 2.493 0 40 FEAB NC(=O)C1(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)CCCCC1 72289155 VIVIIKSDSZBYAX-UHFFFAOYSA-N 366.412 2.303 0 40 FEAB COc1ccc2cc(NC(=O)CCCNC(=O)c3cnccn3)cnc2c1 72405046 DMXZJBVPFIQQMX-UHFFFAOYSA-N 365.393 2.182 0 40 FEAB COc1cc(Br)ccc1CN1CCN(C[C@H](C)O)C[C@H]1C 551584727 NABLGLFVNZWXHB-OLZOCXBDSA-N 357.292 2.345 0 40 FEAB CC(C)(C)N1C[C@@H](NC(=O)CCC[C@H]2C(=O)Nc3ccccc32)CC1=O 1565524553 KRNZXQZGVRNCNV-DZGCQCFKSA-N 357.454 2.408 0 40 FEAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218410513 WFMPCWCTXNIOTK-RTBURBONSA-N 358.507 2.401 0 40 FEAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 72360268 RMOCILULGRARSG-CYBMUJFWSA-N 368.426 2.147 0 40 FEAB Cc1cc2c(=O)n(C)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2s1 32096535 MHDPSXUSLSNQFX-UHFFFAOYSA-N 363.826 2.362 0 40 FEAB Cc1cccc(Nc2cc([C@@H]3CCCN(CC(=O)N(C)C)C3)nc(C)n2)n1 72382735 VFSZLIJEKNLCEC-MRXNPFEDSA-N 368.485 2.500 0 40 FEAB COc1cccc2cc(C(=O)NCc3nc(-c4ccc[nH]c4=O)no3)oc12 225803357 CGVTWEDYXOKPQT-UHFFFAOYSA-N 366.333 2.110 0 40 FEAB Cc1nc2nc3ccn(CCO)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398344 MGTROMLJCGLXDJ-UHFFFAOYSA-N 355.785 2.060 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC(C)(C)C 224862886 AECMRTRRQQPVPZ-UHFFFAOYSA-N 368.499 2.327 0 40 FEAB COc1ccnc(CC(=O)N2CCCN(Cc3csc(C)n3)CC2)c1 329890329 GCSHSGOYXYEITQ-UHFFFAOYSA-N 360.483 2.132 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(c2cc(C(C)(C)C)nc(C(=O)O)n2)C1 576706496 OBUKSBNRCQATJP-GFCCVEGCSA-N 358.446 2.468 0 40 FEAB Cn1ncc(Cl)c1CNC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 582904732 ISCJWAGUTONHPY-UGSOOPFHSA-N 359.861 2.310 0 40 FEAB COc1ccc2nc(CO[C@H]3CN(Cc4cnn(C)c4)C[C@H]3F)[nH]c2c1 96112278 BOGLXTQMPNJJJX-PBHICJAKSA-N 359.405 2.044 0 40 FEAB biogenic,in-vitro COC[C@H]1CCCCN(C(=O)c2cnc3cnc(Br)cn23)C1 583650876 IRCOVCLTNWJCGT-NSHDSACASA-N 367.247 2.381 0 40 FEAB CC(C)(C)c1n[nH]c(CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)n1 333909060 KSVMKXVOSGWZJK-JTQLQIEISA-N 350.435 2.347 0 40 FEAB COc1cc(N2CCC[C@]3(CCN(C(=O)c4cncc(C)c4)C3)C2)ncn1 96216538 PYTRHFMDODQQQS-FQEVSTJZSA-N 367.453 2.321 0 40 FEAB COC1(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)CCSCC1 252572605 ZMHFOKVRKNRQNS-UHFFFAOYSA-N 367.496 2.063 0 40 FEAB O=C(CCc1ccc(F)cc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257284237 PBVOJAWIRXUQOB-KRWDZBQOSA-N 359.401 2.114 0 40 FEAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)NCCC3=CCCCC3)ccc21 253394394 BABALLCLZBBLGP-IBGZPJMESA-N 369.465 2.335 0 40 FEAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2CC1=Cc2ccccc2OC1 257254148 KBWFOKAMKJEGIM-IRFCIJBXSA-N 356.466 2.156 0 40 FEAB Cn1ccc(NC(=O)CN2CCCC[C@@H]2CCNC(=O)c2ccccc2)n1 257239032 HNPYDWXKZKJZBD-QGZVFWFLSA-N 369.469 2.033 0 40 FEAB O=C([C@@H]1CCCCN1C(=O)c1ccc2ccncc2c1)N1CCOCC1 649680107 OIUVPRJYRYKENJ-SFHVURJKSA-N 353.422 2.088 0 40 FEAB COc1cc(N[C@@H]2CCCN(C(=O)C3(C(=O)O)CCC3)C2)cc(OC)c1 663046012 OLXKVQYREKABJA-CYBMUJFWSA-N 362.426 2.362 0 40 FEAB Cc1cc(NC(=O)[C@H](C)N2CCCN(C(=O)c3cccc(F)c3)CC2)on1 641975977 AVKUWAVWQBVPNV-AWEZNQCLSA-N 374.416 2.297 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@H]12 585109559 WTBKQBRSPODLNS-RBSFLKMASA-N 362.476 2.356 0 40 FEAB Cc1nc(C)c(CN2CCC[C@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)s1 585099457 LIEVTIYOJKCZPL-IBGZPJMESA-N 372.494 2.088 0 40 FEAB O=C(c1ccccc1)N1CCC(CNC2CCN([C@H]3CCOC3)CC2)CC1 585091199 FKCUQBKONJZYQQ-NRFANRHFSA-N 371.525 2.382 0 40 FEAB O=C(Cn1ncn2nccc2c1=O)O[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 70866055 DRLFPFLVNLNPAK-GOEBONIOSA-N 372.812 2.424 0 40 FEAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 55408437 QPOTZTZDFPWYNX-RBUKOAKNSA-N 374.506 2.391 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCN(Cc2ccccc2F)CC1 58331585 DQNFVKMDWZLMIP-RDJZCZTQSA-N 361.461 2.022 0 40 FEAB CC[C@H]1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12183720 LUVXQHNPQNWVIV-AWEZNQCLSA-N 358.442 2.493 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2)C1=O 4787398 SABJIGAPDMBWFB-LJQANCHMSA-N 354.362 2.261 0 40 FEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2cccs2)NC(=O)N3)cc1 12346833 XKFCIGDSHVURTR-INIZCTEOSA-N 355.419 2.407 0 40 FEAB Cc1cc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)n2ncnc2n1 1888881934 UEIKUVHUUKDGLH-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB Cc1noc(CN2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)n1 1888890594 CKRKYZFLPFEPOT-IAGOWNOFSA-N 362.437 2.403 0 40 FEAB Cc1nc(N2C[C@@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc(O)c1F 1888908439 RLDNBLURKKJNIA-GHMZBOCLSA-N 372.429 2.207 0 40 FEAB Cn1ccc2c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ncnc21 1889116448 NPYHMPHKWAHNLD-UHFFFAOYSA-N 363.412 2.442 0 40 FEAB Cc1cc(OC2CN(c3ccc4nnc(C(F)(F)F)n4n3)C2)ccn1 1889139024 RCTQOBQKMCPVKL-UHFFFAOYSA-N 350.304 2.114 0 40 FEAB CCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)cn23)n(C)c1=O 4250660 CYYZKVYQQUQONK-UHFFFAOYSA-N 357.801 2.120 0 40 FEAB O=C(Cc1cccs1)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9121031 OWESDXWPBJLADN-GFCCVEGCSA-N 360.391 2.161 0 40 FEAB CCCCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 17749689 NGRNMTFPXUKXHB-OKILXGFUSA-N 361.490 2.486 0 40 FEAB CCOc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1C 22999864 JEEBIDYQXNTUDB-UHFFFAOYSA-N 370.515 2.030 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966039 QAKBZRCZYAHSBV-GFCCVEGCSA-N 360.391 2.067 0 40 FEAB Cc1ncn(CC(=O)NCc2cncc(-c3ccsc3)c2)c(=O)c1C 206947830 BSXWWWWNWVJOLA-UHFFFAOYSA-N 354.435 2.300 0 40 FEAB O=S(=O)(/C=C/c1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575617102 YRAUXASTKRZOHD-FUNAXGEOSA-N 350.484 2.078 0 40 FEAB Cc1cc2ncnc(N3CCC(Cn4cnc(C)c(C)c4=O)CC3)c2[nH]1 585630451 FDTDZRPSRKZZON-UHFFFAOYSA-N 352.442 2.356 0 40 FEAB Cn1c(=O)ccn(CC(=O)Nc2ccc(SC3CCCC3)cc2)c1=O 30874764 SWXQOTZBOMZWLV-UHFFFAOYSA-N 359.451 2.220 0 40 FEAB COc1ccccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(-c3cccnc3)nn21 101125141 WFDRXPVGIZPHHB-INIZCTEOSA-N 362.393 2.123 0 40 FEAB CCCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(C)cc32)c1=O 20611183 OEIDDRDQEYSILW-KRWDZBQOSA-N 368.437 2.067 0 40 FEAB biogenic O=C(NCCc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO 21149045 OBUWLGITMBLTNO-UHFFFAOYSA-N 356.813 2.386 0 40 FEAB CCOc1ccc(C(=O)NS(=O)(=O)c2ccsc2C(=O)OC)cc1 42314905 WVCHUNRIGRTLGQ-UHFFFAOYSA-N 369.420 2.052 0 40 FEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccc2c(c1)OCO2 9112380 VHXUASDUEKRCHO-SNVBAGLBSA-N 361.423 2.035 0 40 FEAB CC[C@H]1CCCCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 78739209 FZRGCUFXGQGMEI-DOTOQJQBSA-N 356.532 2.209 0 40 FEAB Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(N)=O)cc3)cc2)n[nH]1 79103098 BLEPAMCOVWATTQ-UHFFFAOYSA-N 372.406 2.410 0 40 FEAB Cc1cc(C)nc(NCCC(=O)N2CCN(Cc3ccccc3)CC2)n1 79480535 OYRIBMHVBXLTDO-UHFFFAOYSA-N 353.470 2.240 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)Nc1nccs1 79489096 ODKPJTUVMKNWIF-CQSZACIVSA-N 370.434 2.123 0 40 FEAB Cc1nn([C@@H](C)C(=O)N(C)Cc2cn(C)nc2C)cc1Br 2776876 RITMQDWYOMTLEY-NSHDSACASA-N 354.252 2.216 0 40 FEAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cc(Cl)ccc2OC(C)=O)S1 1410598 DDCYZXPYHCKQBK-OAHLLOKOSA-N 369.830 2.440 0 40 FEAB O=C(O)[C@H]1CCCN1Cc1c(-c2ccc3c(c2)OCO3)nc2ncccn12 6740876 BTVYZATXZZIFOO-CYBMUJFWSA-N 366.377 2.174 0 40 FEAB CO[C@@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 103836139 BMDMNLBIKSAWCI-WIDGVVMFSA-N 364.445 2.067 0 40 FEAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1OC 25527876 BWIJTCCDELCKFG-HNNXBMFYSA-N 353.382 2.113 0 40 FEAB Cc1occc1C(=O)NCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 57265359 DIKXCUOVIJWUEE-IBGZPJMESA-N 370.405 2.357 0 40 FEAB O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 12599480 CTSTTYCRLWMNFJ-LSDHHAIUSA-N 363.435 2.241 0 40 FEAB COC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3O)CC2)cc1 27331844 DCPDZODCYABHMB-UHFFFAOYSA-N 369.421 2.211 0 40 FEAB COCCN1C[C@H](c2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)CC1=O 100775503 JIUOGFIRQQQYBO-CYBMUJFWSA-N 370.384 2.203 0 40 FEAB O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1CCCO1 58192670 LJSPPZIENVKAFN-JKSUJKDBSA-N 372.387 2.374 0 40 FEAB CCCCOc1ncccc1CNC(=O)Cn1cnc2ccccc2c1=O 58165919 RWJSBBNEPMEKDV-UHFFFAOYSA-N 366.421 2.287 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1 58267732 QGQVZJFAKQZPNW-UHFFFAOYSA-N 350.484 2.181 0 40 FEAB CNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 113940829 VFKACVOALLJEFX-UHFFFAOYSA-N 356.806 2.420 0 40 FEAB CSCc1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1 9154869 PMIIHHAMYNFJOK-UHFFFAOYSA-N 364.492 2.268 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(N2CCCC2=O)c1 20926406 AKAQPFNMWMJLEI-MRXNPFEDSA-N 352.390 2.383 0 40 FEAB COc1cccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c1O 106746795 ZMQRSDBRJDYQEU-GHXNOFRVSA-N 351.380 2.389 0 40 FEAB O=C(O)c1cccc(NC(=O)c2cc3ncc(Br)cn3n2)c1 2793237 VKJCRTNYIDWCFN-UHFFFAOYSA-N 361.155 2.442 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2C(N)=O)cc1 58160117 CZNIMALBYGYQHN-UHFFFAOYSA-N 374.828 2.191 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 55527079 YCAQDDWHRGHQCP-WDEREUQCSA-N 350.362 2.185 0 40 FEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102795327 OGJORKYMDLSCNA-SYQHCUMBSA-N 356.513 2.310 0 40 FEAB CC(=O)N[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cc(C)on1)c1cccs1 12704778 OSPPWNIJRALDSL-CMPLNLGQSA-N 365.411 2.182 0 40 FEAB C[C@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)C[C@@H](C)O1 12928757 USAGPZWZIKJZHW-TXEJJXNPSA-N 355.485 2.082 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Br)c1 3605943 LGXJFCSSKHSRFK-UHFFFAOYSA-N 366.215 2.252 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600984 GGNHGADYOUOXSG-XOBRGWDASA-N 355.438 2.171 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccccc2N2CCCC2)C1=O 28009547 FOLQOBIBLODEDM-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB NC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 9248004 DGJZGTLKFSUZMH-UHFFFAOYSA-N 350.277 2.125 0 40 FEAB Cc1csc(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)n1 14094416 MTXSKPBBJVRCGU-UHFFFAOYSA-N 361.452 2.115 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 5359152 XZUOKMSZSWGGKY-MRVPVSSYSA-N 351.457 2.278 0 40 FEAB CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)o1 9466499 JWCKFDUXZOABED-SNVBAGLBSA-N 355.350 2.220 0 40 FEAB O=S(=O)(Oc1ccccn1)c1ccc(I)cc1 4631030 NLCDJIHNXDFJIC-UHFFFAOYSA-N 361.160 2.454 0 40 FEAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1C)C1=C(COC1=O)N2 6649867 BTRWYNYFOCCRQB-CQSZACIVSA-N 367.405 2.013 0 40 FEAB C[C@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)OCCO2 6879957 QQBJIDNXTPTSKF-LBPRGKRZSA-N 370.434 2.470 0 40 FEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCn2nc(C)nc21 83740541 XNZVOZWOPVGEFZ-GJZGRUSLSA-N 371.441 2.293 0 40 FEAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 7889244 HRSMMJGQXQAPGQ-UHFFFAOYSA-N 370.474 2.322 0 40 FEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc(-c2ccsc2)n1 8000445 GJRBDKKGDUZMEI-LLVKDONJSA-N 368.422 2.166 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)cc1F 8328757 KTXZHALHOGQIKI-UHFFFAOYSA-N 356.762 2.435 0 40 FEAB CCOc1ccc(-n2nc(CO)c(C(=O)NCc3cccs3)n2)cc1 8613671 ACANDFXINHHOGT-UHFFFAOYSA-N 358.423 2.150 0 40 FEAB C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(-n2cncn2)cc1 18158322 QVDNQBXXQUBAHJ-CYBMUJFWSA-N 370.434 2.162 0 40 FEAB CCn1c(=O)n(CC(=O)N[C@H]2CCOc3ccccc32)c2ccccc21 9721878 CIVGJLHVFCKHMC-HNNXBMFYSA-N 351.406 2.463 0 40 FEAB COc1ccc([C@@H](NC(=O)CNC2(C(N)=O)CCCCC2)C2CC2)cc1 88545177 MKWBHICEXQUDQK-SFHVURJKSA-N 359.470 2.040 0 40 FEAB CNC(=O)Cc1noc(CN2CCCCC[C@H]2c2ccc(OC)cc2)n1 75104969 QIPRGOCOHLOEDM-INIZCTEOSA-N 358.442 2.484 0 40 FEAB Cc1nc(CN2CC[C@@]3(CNC[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306130342 JCYGYNZPJMYYDP-QAPCUYQASA-N 359.499 2.335 0 40 FEAB CC(C)CN1CC[C@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@H]2C1 306143455 YCRWBSLOEXSKHO-IRXDYDNUSA-N 360.502 2.060 0 40 FEAB Cc1cc2c(c(=O)n1C)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 524732007 SULHUFULZGOLJY-AWEZNQCLSA-N 362.385 2.006 0 40 FEAB biogenic CCN1CCOC[C@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 540865260 LTTAJCPGANEDPF-KRWDZBQOSA-N 351.410 2.284 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1OC 32964123 AWHPUVPKTGLEMG-SCLBCKFNSA-N 364.467 2.116 0 40 FEAB O=C(O)CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 34926582 HONXSSHIMGIURO-UHFFFAOYSA-N 371.412 2.066 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 35272215 GTXXEXVKNGXNOA-UHFFFAOYSA-N 360.389 2.141 0 40 FEAB COc1ccc(NC(=O)[C@@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1 225958555 BNGQFZLFZFGOLJ-KRWDZBQOSA-N 366.414 2.237 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(C)cc1 226389117 VGLRCBKEWISIEM-VWQYPGANSA-N 350.418 2.359 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)c(C)cc21 223351963 CSUZAXRAAROAPZ-UHFFFAOYSA-N 360.435 2.444 0 40 FEAB COc1cccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c1 85436178 BKCZMJOIFYNGDA-GOSISDBHSA-N 352.438 2.212 0 40 FEAB biogenic,in-vitro CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 222778039 UWZNQMAITCEVCA-HNNXBMFYSA-N 356.422 2.237 0 40 FEAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)c(Cl)cc21 223361181 BXANINYXVLBSBT-UHFFFAOYSA-N 367.814 2.141 0 40 FEAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1ccccn1)CC2 96260412 KTQGHQVEAKKTPV-UHFFFAOYSA-N 353.470 2.257 0 40 FEAB CN(C)C(=O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]1)[C@@H]2c1cnco1 96087093 MQIFNELPYAWQQJ-KRWDZBQOSA-N 350.378 2.450 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)[C@@H]4CCCO4)CC3)C2)cc1 96158894 JLSSPCDBOPPJPE-IBGZPJMESA-N 358.482 2.367 0 40 FEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036858 LYKBVSIQWQUJBQ-QGZVFWFLSA-N 372.469 2.235 0 40 FEAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ccccc4[nH]3)[C@H](F)C2)CC1 96112166 DEVKKSKVEUQZOB-QAPCUYQASA-N 360.433 2.113 0 40 FEAB biogenic,in-vitro C[C@@H](NC(=O)c1cnccn1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296974 VZBIOIDZXNHZKA-SECBINFHSA-N 356.313 2.460 0 40 FEAB biogenic,in-vitro CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21 96045135 GBGYFIFXEXEXCI-MRXNPFEDSA-N 354.454 2.393 0 40 FEAB COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107768 YIUVWBSWGXVCCA-QUCCMNQESA-N 355.438 2.435 0 40 FEAB Cc1ccc(CC(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)s1 257207142 BGNCJNMGYAPZJA-IRXDYDNUSA-N 356.447 2.242 0 40 FEAB Cc1cc([C@@H]2CCCCN2C(=O)CCc2ccnn2C)nc2ccnn12 257284024 PAYBIORMFVKHSL-KRWDZBQOSA-N 352.442 2.458 0 40 FEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257211288 BYHJMMKXEKXXQF-CQSZACIVSA-N 351.410 2.247 0 40 FEAB Cc1onc(N)c1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 657169611 OBONMGIBMUUFGI-ZDUSSCGKSA-N 369.418 2.245 0 40 FEAB CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)no1 675833905 WALTUGBAJQRWSS-AWEZNQCLSA-N 360.462 2.317 0 40 FEAB C[C@@H](C[S@@](C)=O)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1O 597495301 JTMBSSIXCACILS-SDWAUSNYSA-N 355.847 2.070 0 40 FEAB O=C(CCCc1ccncc1)N1CCO[C@](CO)(Cc2ccccc2)C1 585270942 CPCKXEMLDYKSPD-OAQYLSRUSA-N 354.450 2.237 0 40 FEAB Cn1nnc2c1CC[C@@H](NC(=O)Nc1cc(F)ccc1OCC1CC1)C2 585090774 HCCXLTXLODCXPB-CYBMUJFWSA-N 359.405 2.422 0 40 FEAB CC(C)[C@@H](CCO)NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 76069851 DFLKMFWXOAOHNN-GFCCVEGCSA-N 350.387 2.211 0 40 FEAB O=C1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCN1c1ccccc1F 78671037 HDDJGCOFFCWCKH-AWEZNQCLSA-N 352.362 2.049 0 40 FEAB CC(C)CN1CC[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 84544245 MUECVXYCNFLRSF-KRWDZBQOSA-N 359.470 2.075 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NCc1ccc(N2CCOCC2)nc1 12172886 GHYUPUKFBBFVNE-UHFFFAOYSA-N 367.449 2.102 0 40 FEAB O=C(OCc1ccccc1)Oc1cncc(OC(=O)N2C(=O)CCC2=O)c1 18194747 AKFDRPBCSYCAJC-UHFFFAOYSA-N 370.317 2.445 0 40 FEAB CCn1cc(CN2CCN(C(=O)Cc3ccc4c(c3)C[C@H](C)O4)CC2)cn1 19524962 UYHGKRNVRVQKPH-INIZCTEOSA-N 368.481 2.113 0 40 FEAB COc1cc(C(=O)N(CCO)[C@H]2CCCc3ccccc32)nc(OC)n1 19550313 IRTKFYZTGUTHEZ-INIZCTEOSA-N 357.410 2.006 0 40 FEAB CNc1cc(CNC(=O)Cc2ccccc2OC)nc(-c2ccncc2)n1 19592328 VRQCDXAVNPNGFH-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB C[C@@]1(C(=O)NCCCOc2ccccc2F)CC(=O)N2C=CC=CC2=N1 19716720 BMLZAYUBIJRNRE-IBGZPJMESA-N 357.385 2.184 0 40 FEAB CC[C@H](CN1CCCC1)n1cncc1-c1cnc(N2CCOCC2)nc1 19719362 QVMIPXMIURDQND-QGZVFWFLSA-N 356.474 2.224 0 40 FEAB CCn1nccc1C(=O)N1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 19747884 AUPPTZSWGYTMGD-OAHLLOKOSA-N 374.872 2.377 0 40 FEAB CNc1ncc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cn1 19749069 YJKAVUOFEIQKPW-QGZVFWFLSA-N 367.453 2.333 0 40 FEAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)s3)C2)cc(=O)o1 206961886 IQMPMQQLBOKCGK-UHFFFAOYSA-N 361.828 2.115 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4ccccc34)CC2)n1 1888900947 INBARWVOSSSUQQ-UHFFFAOYSA-N 358.352 2.390 0 40 FEAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccccc2Br)CC1 24243323 MMBUEHFRCZPEFE-CYBMUJFWSA-N 366.303 2.234 0 40 FEAB O=C(NCc1ccc(Cl)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 238815331 BHVQJBKYGOWRDH-UHFFFAOYSA-N 373.844 2.192 0 40 FEAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565552758 WCEIUYJOZCLBMV-ICSRJNTNSA-N 354.454 2.305 0 40 FEAB CN(C)[C@H]1CCOC2(CCN(C(=O)Cc3noc4ccccc34)CC2)C1 1565553713 INGZGFIKRAEDEG-HNNXBMFYSA-N 357.454 2.472 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)CCC2=O)c(C(=O)c2ccccc2)c1 4078727 SSIZIEIFGJFQDA-UHFFFAOYSA-N 350.374 2.314 0 40 FEAB COc1cc(C(=O)N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)on1 2055793223 BULAJEBAMJDZIW-LJQANCHMSA-N 356.426 2.349 0 40 FEAB CCOc1ncccc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707623 VZRCJCJIIGFOJQ-UHFFFAOYSA-N 369.421 2.134 0 40 FEAB Cc1cc(-n2c(C)cc(C(=O)NCCc3nnc4ccccn34)c2C)no1 40050261 UTUVZRJEYBGSKL-UHFFFAOYSA-N 364.409 2.406 0 40 FEAB O=C(COCC(F)(F)F)Nc1cccc(OCC(=O)N2CCCC2)c1 40133822 VVZZPLVHGWEIQS-UHFFFAOYSA-N 360.332 2.205 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)nc1 40122104 TYTDZXFQFWFDRR-RDJZCZTQSA-N 358.486 2.241 0 40 FEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccc(F)c(F)c1 51259929 PKTNNZHVCFNMDU-HNAYVOBHSA-N 374.343 2.228 0 40 FEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)CC(=O)NC(C)(C)C 51872535 VJCQAHSDOPPOHS-KRWDZBQOSA-N 357.454 2.324 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)c3ccc(Cl)cc3O)nc2s1 20960666 SWHPHWBSQVYIFZ-UHFFFAOYSA-N 365.798 2.429 0 40 FEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccc(Cl)cc1 53778990 NEYUBYZIKREIFI-NSHDSACASA-N 350.854 2.245 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2ccncc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940667 NRZJXKJSIJFPMI-OAHLLOKOSA-N 366.812 2.172 0 40 FEAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COCc2cccs2)CC1 23409522 JYKBLUYKJWZFDW-QGZVFWFLSA-N 360.479 2.084 0 40 FEAB COc1cc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1O 47512914 KTSMEKHYYGGLIH-UHFFFAOYSA-N 358.394 2.162 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 819454 NZAHMJMWPJTVMX-DOTOQJQBSA-N 374.824 2.221 0 40 FEAB CCOC(=O)C1=C(C)N=c2sc(=C(C)C)c(=O)n2[C@H]1c1ccccc1 832619 GRQDKFDPWNFPDE-HNNXBMFYSA-N 356.447 2.160 0 40 FEAB CCN(CC)c1ccc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)cn1 78596421 JBTYMMVXQSNBEU-UHFFFAOYSA-N 354.414 2.278 0 40 FEAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)N1CCCCC1)c1ccco1 1371969 PAAAHASMQCBKHR-IRXDYDNUSA-N 359.470 2.407 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3267501 IESLEDYVEZDHDD-UHFFFAOYSA-N 360.753 2.293 0 40 FEAB COc1cccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)c1 4605197 FWTINNJZDBUYSY-UHFFFAOYSA-N 364.452 2.363 0 40 FEAB Cc1sc(C(=O)Oc2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)C 6679549 PUPZDPXAVPAUIW-UHFFFAOYSA-N 369.420 2.255 0 40 FEAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 7490333 YIHYLDVEJXPLPF-HNNXBMFYSA-N 374.485 2.412 0 40 FEAB Cn1c(CN(Cc2c(F)cccc2Cl)C2CC2)cc(=O)n(C)c1=O 8751014 HYHFGENXYQUAPH-UHFFFAOYSA-N 351.809 2.041 0 40 FEAB O=C(N[C@@H](C(=O)O)c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 95464111 UJCDABWONJGDHC-MRXNPFEDSA-N 372.331 2.160 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1 27224813 AQPLMORMEBBWIP-UHFFFAOYSA-N 367.405 2.143 0 40 FEAB NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 10044273 MZUFXZIPKRENJG-CYBMUJFWSA-N 359.234 2.498 0 40 FEAB CCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1 58201999 ZJLMVAHCKDFBFM-UHFFFAOYSA-N 366.381 2.277 0 40 FEAB C[C@H](Sc1nncs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 58210556 NDTWYEDCUSQJRY-JTQLQIEISA-N 358.489 2.098 0 40 FEAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCC(=O)O)ccc12 2125345 BYRZUFLAIAGTSN-LBPRGKRZSA-N 361.394 2.494 0 40 FEAB biogenic COCCCN1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O 10556171 BLSKKLBQMBSJMT-UHFFFAOYSA-N 359.407 2.336 0 40 FEAB CN1CCN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 54534471 ZIQTYAGETVPOHN-UHFFFAOYSA-N 353.894 2.251 0 40 FEAB COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C 29880458 NWCPKLWLZSOHKO-NHYWBVRUSA-N 352.818 2.007 0 40 FEAB CCN1CCN(C(=O)[C@H](C)Sc2nncn2-c2ccccc2F)CC1 29842280 QRLCOABJHOCSTF-ZDUSSCGKSA-N 363.462 2.051 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 12685530 BISZTLREZUXTLW-LBPRGKRZSA-N 366.373 2.405 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2cccc3nonc23)C1 103505993 GBYCFUIFOBXNKV-RYUDHWBXSA-N 367.434 2.201 0 40 FEAB CO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 103836145 BMDMNLBIKSAWCI-NLZCMNGQSA-N 364.445 2.067 0 40 FEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(F)c1 12909153 JRFYLTNZHAZUMC-UHFFFAOYSA-N 365.382 2.399 0 40 FEAB CCOC(=O)Nc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1OCC 408587982 VOJUCMZMAQNIMR-GFCCVEGCSA-N 372.443 2.111 0 40 FEAB CCn1c(C(=O)N2CCOC[C@H]2c2noc(COC)n2)cc2ccccc21 96001004 HBVALFSDCGCNIV-INIZCTEOSA-N 370.409 2.404 0 40 FEAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C[C@@H](C)O1 14093250 LKOYHTANBYKRLP-BETUJISGSA-N 368.389 2.325 0 40 FEAB COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1 5559817 UEPOQPFQDYAVKP-ZDUSSCGKSA-N 373.434 2.453 0 40 FEAB CC(C)Cc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 14682787 VQGDTMSGJXVFQM-UHFFFAOYSA-N 357.439 2.475 0 40 FEAB COc1ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc(=O)oc2c1 15954668 VYJVBQKKHUNGKX-VFNWGFHPSA-N 371.433 2.498 0 40 FEAB biogenic CC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 7938897 CFVQRUBHQDRKAA-ZDUSSCGKSA-N 366.483 2.184 0 40 FEAB O=C(c1cc(F)cc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379566 GHCVMBAKKNFSKQ-UHFFFAOYSA-N 366.389 2.112 0 40 FEAB COC[C@H](C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8478654 BKQFALNQBSWONK-LBPRGKRZSA-N 362.879 2.037 0 40 FEAB CC(C)n1cnc([C@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 306136929 QHAHPLXIOSZUIY-DYESRHJHSA-N 370.497 2.429 0 40 FEAB CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409388484 JYOSZNLYNZOISG-UHFFFAOYSA-N 362.451 2.253 0 40 FEAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408613143 ZKUVQWHITSYAST-UHFFFAOYSA-N 368.499 2.354 0 40 FEAB COCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409182734 OVVTVPYZAAUQQI-UHFFFAOYSA-N 362.451 2.196 0 40 FEAB CC(C)O[C@@]1(C)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 527902288 NPYIJYPXEKDIBZ-OLMMMNRUSA-N 351.491 2.423 0 40 FEAB N[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218666638 QYYFDYJFNAXTSX-YCPHGPKFSA-N 369.801 2.201 0 40 FEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217516452 AXXTXQVNEFOAOJ-AWEZNQCLSA-N 370.471 2.444 0 40 FEAB Cc1cccc2c1ccn2CC(=O)NCCn1ncc2ccccc2c1=O 40818907 WVCKOWGAENTZSU-UHFFFAOYSA-N 360.417 2.476 0 40 FEAB CC(C)(C)OC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 45682548 HUEUEILHGGICBA-UHFFFAOYSA-N 372.351 2.200 0 40 FEAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2cnc(OC)nc2)c1 224286011 TZPNFFYNWPELCQ-UHFFFAOYSA-N 353.400 2.083 0 40 FEAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCOCC3)n2)cc1 225944684 WNBZDWXCPLDKBV-UHFFFAOYSA-N 357.483 2.417 0 40 FEAB Cc1cc(C(=O)NCCOc2ccccc2C)ccc1NS(C)(=O)=O 224087013 AHQYDYCWZSQWPZ-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2c(OC)cccc2OC)c1 222957787 DFJYPZXMOJZXJS-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)o2)CC3)C1=O 96036497 WKTBQNUCJRESNF-OAQYLSRUSA-N 373.497 2.271 0 40 FEAB O=C(c1ccsc1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96076784 IARPVGLKUKCNLA-GOSISDBHSA-N 358.467 2.297 0 40 FEAB O=C(NCc1ccccc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240929 VWHZUHWAUJYJMC-GOSISDBHSA-N 371.481 2.247 0 40 FEAB Cc1cnn([C@H]2CCN(C(=O)NCc3cc4ccccc4n(C)c3=O)C2)c1 580987901 SEHCSHRBZBCQMH-KRWDZBQOSA-N 365.437 2.200 0 40 FEAB O=C(c1cscn1)N1Cc2cncn2[C@@H](COc2ncccc2F)C1 247809151 DIBCXDPUXVHCEL-GFCCVEGCSA-N 359.386 2.150 0 40 FEAB CCCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 249697445 USAKOEDSHJJLBU-SJORKVTESA-N 354.472 2.071 0 40 FEAB Cc1cncc(C(=O)N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)c1 248118848 JLAMOXCRLKJEQX-QGZVFWFLSA-N 366.465 2.400 0 40 FEAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257305914 SSBKBLAZJYZIAD-QWFCFKBJSA-N 357.454 2.436 0 40 FEAB CCOCC(C)(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 585085892 MMUBSPTYRZJDAY-UHFFFAOYSA-N 367.534 2.032 0 40 FEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2ccc(C)o2)C3)nc1 253600191 HQMGOWJKAXQFOQ-OAHLLOKOSA-N 356.426 2.420 0 40 FEAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(C(=O)O)cc2)C1 257317179 VIRYFUSKHNAQSG-OAHLLOKOSA-N 355.394 2.194 0 40 FEAB CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)ccn1 257312867 UPWZGGNMOSSZKE-KRWDZBQOSA-N 350.426 2.256 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2cccnn2)CC1 96119364 RAECHLLNTKMSIT-UHFFFAOYSA-N 359.860 2.424 0 40 FEAB Cc1sc2nc(C)n3c(=O)n(CC(=O)Nc4ccccn4)nc3c2c1C 12117609 LLPVHTCGEWFABI-UHFFFAOYSA-N 368.422 2.065 0 40 FEAB O=C(Cc1cccs1)N1CCC(n2nnc3ccccc3c2=O)CC1 13267484 ZMVQAMHPTGPGII-UHFFFAOYSA-N 354.435 2.259 0 40 FEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1 16632577 URSASGUKRNOTET-UHFFFAOYSA-N 373.384 2.377 0 40 FEAB COc1ccc(Cc2cnc(NC(=O)c3cc(=O)[nH]c(C)n3)s2)cc1 19240936 URPCVEOTVFAZBP-UHFFFAOYSA-N 356.407 2.387 0 40 FEAB COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cc(C)n(C)n3)C2)c1 19658762 YPSJSKXSNMWCEH-MRXNPFEDSA-N 372.469 2.467 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3ccccc32)cc1 5895724 ZQFXDWMAOUQQPN-UHFFFAOYSA-N 373.478 2.328 0 40 FEAB COc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1S(N)(=O)=O 11043888 FXGVKKALYVNGSU-UHFFFAOYSA-N 373.789 2.492 0 40 FEAB Cc1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888881875 AHWQQMSZDWNFGJ-CYBMUJFWSA-N 351.414 2.005 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)CCCc2sccc21 1889128289 VHPDSNSSQZNNFV-LJQANCHMSA-N 362.495 2.395 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(Cc2nc3ccccc3[nH]2)CC1 25480010 ABQBIGJGCRMDDC-UHFFFAOYSA-N 374.441 2.209 0 40 FEAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037839967 GXVJHGOULNBBIB-FQEVSTJZSA-N 369.396 2.177 0 40 FEAB O=C(C1CC(F)(F)C1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565550682 FDBOKOPFNAIDEI-CJNGLKHVSA-N 352.385 2.084 0 40 FEAB Cc1ccccc1Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001432 ZIAPHMTWAQHJIB-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB COc1ccc(OC)c(NC(=O)CSc2ccc(NC(C)=O)nn2)c1 11738633 AIBQPSXGHDYZHD-UHFFFAOYSA-N 362.411 2.183 0 40 FEAB COc1ccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)cc1OC 17123106 GYGSZDYFQLEMMF-UHFFFAOYSA-N 352.390 2.373 0 40 FEAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)CC2=CCCCC2)C1 2055772263 PHRLYJGTYMBJRI-BRWVUGGUSA-N 370.453 2.312 0 40 FEAB Cc1noc(C)c1CN1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771689 QXBUVARQHBPGOY-IBGZPJMESA-N 357.458 2.005 0 40 FEAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)nn1C 1775972043 BKPTTXOUHUKXRV-LLVKDONJSA-N 365.231 2.180 0 40 FEAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)n1 575611321 USMXMMXWFZQZQM-OAHLLOKOSA-N 372.450 2.176 0 40 FEAB O=c1occ(CN2CCSCC2)c(O)c1CN1CCc2ccccc2C1 79490439 RHGAHHOGDORQFX-UHFFFAOYSA-N 372.490 2.453 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCCC2)nc1 40121934 DDCRIMAJFPFVGH-UHFFFAOYSA-N 351.472 2.368 0 40 FEAB C[C@@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)c1ccc(F)cc1F 31487432 LSPFVUQFOWHWQR-MRVPVSSYSA-N 358.341 2.242 0 40 FEAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1OC 101362035 GRVYDKKIBNQDHN-NVXWUHKLSA-N 370.336 2.135 0 40 FEAB CC(=O)N1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)CC1 20895001 LHOIJPNVQGAFSG-AATRIKPKSA-N 352.866 2.205 0 40 FEAB CC[C@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccccc1 32850467 ADNVCSMUNJRCNQ-AWEZNQCLSA-N 350.440 2.184 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2Cl)n(C)c1 32850544 GXBRGTPUTINNHM-UHFFFAOYSA-N 360.794 2.083 0 40 FEAB CCOC(=O)N[C@H](C(=O)NCc1ccccc1Cn1cccn1)C(C)C 32911733 ZIGNMORBRZPARE-KRWDZBQOSA-N 358.442 2.318 0 40 FEAB CC[C@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1C)N1CCCC1 32916559 XTVVRHVPVZPZCC-CQSZACIVSA-N 356.488 2.165 0 40 FEAB NC(=O)C1(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)CCOCC1 52744629 JWHXZNSPPUCLBB-UHFFFAOYSA-N 363.801 2.007 0 40 FEAB O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCc2sccc2C1 42128120 QPVMBYZAMFKZOB-UHFFFAOYSA-N 364.858 2.227 0 40 FEAB COCCCNC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 47598100 OSWORZNEBLULKW-UHFFFAOYSA-N 360.380 2.405 0 40 FEAB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(CC(N)=O)cc1 3077685 RYLZELVGHMVFLR-OAHLLOKOSA-N 353.422 2.066 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3cccnc3)CC2)c1 12543790 LWGQRVJJIJODKI-UHFFFAOYSA-N 374.466 2.237 0 40 FEAB CC(C)N(Cc1cnn(C)c1)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 56025854 ZDUGMYYEWGMGCV-HNNXBMFYSA-N 370.453 2.361 0 40 FEAB O=C(NCc1ccccc1)NC1(C(=O)N2CCC(O)CC2)CCCCC1 4981824 XNRGLLGEOLOBNI-UHFFFAOYSA-N 359.470 2.172 0 40 FEAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12549716 HWBIUOJYKFMSRM-CJNGLKHVSA-N 372.490 2.384 0 40 FEAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 35360301 RVCBCMYGHRUFDK-DOXZYTNZSA-N 351.450 2.083 0 40 FEAB COc1cccc(N2CCN(CC(=O)Nc3ccccc3OC)CC2)c1 57362953 PTKFYSQCKYSXNA-UHFFFAOYSA-N 355.438 2.465 0 40 FEAB CCOc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)F)s2)cc1 58160134 KLGWAGQDTZESAW-UHFFFAOYSA-N 356.354 2.243 0 40 FEAB COc1ccc(COc2cccc(F)c2)cc1NCC(=O)N1CCNC1=O 58208949 MRZCTIJTTXYILS-UHFFFAOYSA-N 373.384 2.377 0 40 FEAB O=C(CSc1nncn1C1CC1)NC(=O)c1ccc(OC(F)F)cc1 10648614 LZWVVFJICIMTJW-UHFFFAOYSA-N 368.365 2.263 0 40 FEAB COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(N)=O)s2)cc1OC 10694250 BQDLUMKEWSZRLR-SECBINFHSA-N 350.396 2.166 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 84200422 BKDGQFGBXWHAAW-INIZCTEOSA-N 364.442 2.290 0 40 FEAB CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 100643183 BJLOPVKFECOISX-TWFHAPMSSA-N 355.434 2.354 0 40 FEAB CN1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 27969914 UYYKZSMXOVNVEK-UHFFFAOYSA-N 363.259 2.082 0 40 FEAB O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 28962282 JYYCTIKFVCULEF-KRWDZBQOSA-N 359.401 2.304 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1F 29669466 DFQGRVIZBRNDSC-UHFFFAOYSA-N 370.380 2.461 0 40 FEAB CC(C)Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 2638374 QLDRVASKYMDIGV-UHFFFAOYSA-N 368.484 2.239 0 40 FEAB COCCn1cc(C(=O)NCCc2ccc(OC(C)C)cc2)ccc1=O 47306382 MANQRXRQKADUTK-UHFFFAOYSA-N 358.438 2.254 0 40 FEAB O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2ccc(F)cc21 72400734 UXXCTBDQSAHQOA-UHFFFAOYSA-N 368.412 2.032 0 40 FEAB C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)N1C[C@@H](C)O[C@H](C)C1 48151621 MXNALPVIRXDDAR-ARFHVFGLSA-N 357.458 2.492 0 40 FEAB Cc1cc(C)c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)c(Cl)c1 3362166 VZJRGZIICWILSC-UHFFFAOYSA-N 373.800 2.498 0 40 FEAB C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)N1CCc2ccccc21 3385250 NCOBKQRLVOENDN-LBPRGKRZSA-N 366.450 2.124 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc2c(c1)CCC2 100466746 FOUAYSBWKIMSHD-VFCLNGDNSA-N 362.429 2.167 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCOCC1 48428196 IWQHLAYHZKLFMA-UHFFFAOYSA-N 359.348 2.406 0 40 FEAB CC(=O)N1CCN(Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 38335004 DJNKMVQZWBKURT-UHFFFAOYSA-N 372.494 2.297 0 40 FEAB Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 3886720 IJSLLTJUFGZFKZ-UHFFFAOYSA-N 352.387 2.221 0 40 FEAB COc1ccccc1CNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 19679852 ZPOLFNOWMNKWGU-UHFFFAOYSA-N 363.373 2.468 0 40 FEAB C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)NC(N)=O 4364165 CRCPTZNQHCIRLX-LURJTMIESA-N 371.216 2.175 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2ccccc2n1 5267131 ONTYCVIVCPPRNR-UHFFFAOYSA-N 370.434 2.371 0 40 FEAB C[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)O1 65466579 SKLSXNJHRPQBGI-LBPRGKRZSA-N 374.890 2.323 0 40 FEAB COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1C[S@](=O)C2 5320293 DOLAMLQVXMJSGC-XMMPIXPASA-N 351.355 2.087 0 40 FEAB COc1cc2c(cc1/C=C/C(=O)NCc1nnc3ccccn13)O[C@H](C)C2 14134600 AWYJOWSGZTYGQW-KTRBRXNASA-N 364.405 2.391 0 40 FEAB O=C(C[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CC(F)(F)C1 306131104 JWQMFWAXYOMWNT-KRWDZBQOSA-N 360.408 2.350 0 40 FEAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1nnc2ccccn12 14182410 RLHVTFZINWRBHD-DHZHZOJOSA-N 361.405 2.186 0 40 FEAB COc1ncccc1CN1Cc2ccnn2C[C@H](OCc2ccncc2)C1 306125742 DAKAULQRLTXESI-LJQANCHMSA-N 365.437 2.283 0 40 FEAB Cc1cc(C)n2nc(CC(=O)NCCc3c[nH]c4ccc(F)cc34)nc2n1 6662560 AUQXTPCIXPWUCD-UHFFFAOYSA-N 366.400 2.263 0 40 FEAB CN1C(=O)NC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1=O 95452044 XBUIZOWIHVYJCF-UHFFFAOYSA-N 352.394 2.388 0 40 FEAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)N1CCOCC1 7607560 LMUFRBWZAKHWCT-NSHDSACASA-N 374.268 2.111 0 40 FEAB CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O 7774664 IDRJSZGNOMGJFF-LBPRGKRZSA-N 371.393 2.057 0 40 FEAB Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 16585848 UZSGLOPUIXTIGB-CQSZACIVSA-N 361.467 2.101 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1C 408561232 RLSWBOBJRXHIKY-GFCCVEGCSA-N 366.414 2.448 0 40 FEAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H](CN2CCOCC2)C1 69970722 BDZQBWOSECTJDR-MRXNPFEDSA-N 354.454 2.261 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 8778743 JNWHTGKMAFQCNQ-KRWDZBQOSA-N 369.446 2.343 0 40 FEAB O=C1CCCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2N1 9096177 GSMQIUBQXRDBIE-UHFFFAOYSA-N 360.435 2.319 0 40 FEAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 408917908 COUNILBNZAVBMB-VZAMPYOESA-N 354.189 2.189 0 40 FEAB CCc1cc2oc(=O)cc(COC(=O)CCNC(N)=O)c2cc1Cl 32741730 BDJFTMXQZIIGBF-UHFFFAOYSA-N 352.774 2.110 0 40 FEAB Nc1cc(N)c(I)cc1I 34320324 DWPIZDKIKWDFAB-UHFFFAOYSA-N 359.936 2.060 0 40 FEAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cnn(C)c1C)SCC(O)=N2 79494609 PFZCMMYXRKUYHH-CQSZACIVSA-N 355.427 2.437 0 40 FEAB CC(C)(C)N1C[C@H](NC(=O)CCC[C@H]2C(=O)Nc3ccccc32)CC1=O 1565524557 KRNZXQZGVRNCNV-UKRRQHHQSA-N 357.454 2.408 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(CO)C(=O)O)cc1 218502111 GXOFYNGKDGJTSU-XYJFISCASA-N 364.394 2.137 0 40 FEAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 35895263 RVCBCMYGHRUFDK-CLCXKQKWSA-N 351.450 2.083 0 40 FEAB CCc1nn2c(nnc3c(=O)n(CCN(C)C)ccc32)c1-c1ccccc1 40388325 WRVAKNCWEMZRFC-UHFFFAOYSA-N 362.437 2.230 0 40 FEAB O=C(OCCNS(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2 63881043 BVMYZEQYSYNOPC-UHFFFAOYSA-N 351.449 2.372 0 40 FEAB Cn1cc(CC(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc21 64257579 SDSKFTCFGNUHMV-UHFFFAOYSA-N 371.418 2.063 0 40 FEAB CCOC(=O)C(Cc1c(C)[nH]c2c(OC)cccc2c1=O)C(=O)OCC 227163328 XSUFVTXXFRDXSA-UHFFFAOYSA-N 361.394 2.130 0 40 FEAB Cn1c(=O)c2sccc2n2c(CN3CCc4ccccc4C3)nnc12 47274475 ZBBOAOBRQBFQIC-UHFFFAOYSA-N 351.435 2.201 0 40 FEAB COc1cccc(CN2CCC[C@]3(CCN(C(=O)N4CCOCC4)C3)C2)c1 96215696 XEHCPFCRRNHVOP-NRFANRHFSA-N 373.497 2.435 0 40 FEAB O=C(NCCc1cccs1)[C@@H]1CN(CC2CCOCC2)Cc2cncn21 247508118 SARGRHCRTWWMIG-SFHVURJKSA-N 374.510 2.087 0 40 FEAB CSc1ncccc1C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 253537425 XZAHOCONFLBKOE-UHFFFAOYSA-N 359.455 2.006 0 40 FEAB Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCCN2S(C)(=O)=O)n1 257243466 IHBVQRNZBQIWPV-OAHLLOKOSA-N 361.423 2.247 0 40 FEAB COC(=O)c1ccc([C@@H](NC(=O)NCC2(C(=O)O)CC2)C(F)(F)F)cc1 596061103 CDEGBLVAMNLTTL-LLVKDONJSA-N 374.315 2.241 0 40 FEAB COc1cccc(C2(NC(=O)[C@@H]3CC[C@@H](C(=O)O)N3C3CC3)CCC2)c1 630672309 JYGLZOCPPVNHIS-IRXDYDNUSA-N 358.438 2.271 0 40 FEAB CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)[C@H]1C[C@@H]1c1ccccc1 1615209007 PCQLZUVBDBPXDO-SJORKVTESA-N 362.495 2.205 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)C1 654354102 DCBYQQWDWLZTMI-DLBZAZTESA-N 353.507 2.134 0 40 FEAB O=C(O)Cn1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 663144462 COXOJWNXECALEM-UHFFFAOYSA-N 362.773 2.000 0 40 FEAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CCc4nc[nH]c4C3)[nH]nc21 668822761 AASLHAWRZYQESB-GFCCVEGCSA-N 361.409 2.430 0 40 FEAB COc1cccc([C@@H](CO)NC(=O)c2cnn(C)c2Cc2ccccc2)c1 683565905 LKVIRLQWBNJBIU-LJQANCHMSA-N 365.433 2.483 0 40 FEAB COC(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)[nH]1 600232709 MECFWGQZENISEY-TZMCWYRMSA-N 368.311 2.466 0 40 FEAB CCCS(=O)(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 585095289 NOVGJNFMJHAOGD-AWEZNQCLSA-N 353.419 2.025 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 585095706 DZQHKCXWIHABCD-BPLDGKMQSA-N 366.412 2.070 0 40 FEAB CNC(=O)CC1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585290106 SCJJCNRNXWHFTB-NLWGTHIKSA-N 364.461 2.335 0 40 FEAB Cc1nc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ncn2)sc1C 585179643 ZQKNCOBBDMRCGX-GFCCVEGCSA-N 352.485 2.041 0 40 FEAB COC(=O)[C@H](CNC(=O)c1c(C)nn(C)c1Cl)Cc1ccc(F)cc1 58010109 DQGYWVPXRSMDFH-LBPRGKRZSA-N 367.808 2.283 0 40 FEAB COc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 106582339 QOINUUCYWHBQCH-HKUYNNGSSA-N 374.529 2.048 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc21 12241714 DPEASHACYDRVEK-KGLIPLIRSA-N 360.460 2.434 0 40 FEAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CO)n(C)n2)cc1OC 12602748 RKHDRAUKISOHLZ-IMJJTQAJSA-N 357.454 2.274 0 40 FEAB biogenic,in-vitro C[C@H]1C(=O)N(CCN2C(=O)c3ccccc3C2=O)C(=O)N1c1ccccc1 14169734 XJSNOFPIVAYACW-ZDUSSCGKSA-N 363.373 2.140 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@H]2c2nn(C)cc2-c2cc(C)no2)c1 19121496 JUGHQKGGYCDNLD-HNNXBMFYSA-N 354.414 2.252 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 19229467 HCWPORNPJZRLPC-SGWGQVFISA-N 366.461 2.284 0 40 FEAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406939 YRTKBHNEXJIKMG-ZOBORPQBSA-N 369.416 2.076 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n[nH]1 19447421 HOZXYXSIEDWXNF-INIZCTEOSA-N 354.458 2.021 0 40 FEAB COCCN1CCC(c2nc(N(C)C)ncc2-c2ccc(N)nc2)CC1 19695122 YDGBCONLMIYCHC-UHFFFAOYSA-N 356.474 2.013 0 40 FEAB O=C(CNc1ccc2nncn2n1)NCC1(c2ccccc2Cl)CC1 19719110 DPTIGMLSTRWPMJ-UHFFFAOYSA-N 356.817 2.038 0 40 FEAB C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 6201925 UBWZMPMLSDJDSU-SCQNNLFUSA-N 370.486 2.014 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 13260610 IRGCACYPPCTUQZ-NWDGAFQWSA-N 350.802 2.016 0 40 FEAB COC[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(OC)c1 585091920 JJZWQSYZQCKNCA-HNNXBMFYSA-N 365.407 2.090 0 40 FEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1Cc2ccccc2O1 21603117 VMOKTPIMPKXFHO-QGZVFWFLSA-N 358.419 2.169 0 40 FEAB COc1cnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1 1888876087 DZXSMQDXMLWZEE-UHFFFAOYSA-N 354.414 2.132 0 40 FEAB O=C([C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)N1CCSCC1 1888913396 LLBWFFPZGYRJBO-OAHLLOKOSA-N 374.428 2.482 0 40 FEAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1c(F)cccc1Cl)CCO2 2037983910 KMAHZGZKKCBVJR-GOSISDBHSA-N 370.852 2.317 0 40 FEAB Cn1cnc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccccn4)C3)C2)c1 2056224797 WDJSIMDRBRCOTN-HXUWFJFHSA-N 353.470 2.334 0 40 FEAB CC(C)N(C)CC(=O)N1CC[C@]2(COc3ccc(-c4cnn(C)c4)cc32)C1 1614940100 CGWPQAKBGCXKAT-OAQYLSRUSA-N 368.481 2.290 0 40 FEAB Cc1nc(CN2C[C@H]3CN(C(=O)c4ncnc(C)c4C)C[C@H]3C2)cs1 1565542809 UVDMEUPCOBRQOB-GASCZTMLSA-N 357.483 2.062 0 40 FEAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565556217 PXCPDAJSVBTJAK-ZDUSSCGKSA-N 372.400 2.043 0 40 FEAB CCOC(=O)[C@H](C)Sc1ncnc2c1nnn2Cc1ccc(F)cc1 4166490 QGLDNHFOGFAFKC-JTQLQIEISA-N 361.402 2.452 0 40 FEAB O=C(c1ccoc1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745618 OEWMJNQIABWMQM-UHFFFAOYSA-N 360.439 2.102 0 40 FEAB CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4ccsc4)C3=O)C2)n[nH]1 2055773001 IJSWIVJRFZWRTH-ADLMAVQZSA-N 372.450 2.189 0 40 FEAB CCn1cnc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)ncnc21 2086896524 HXFKTMCHGFDVFV-STQMWFEESA-N 358.446 2.149 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1)NCCn1cc(-c2ccoc2)cn1 575614748 FDUWFHBHWGAKCK-UHFFFAOYSA-N 373.434 2.123 0 40 FEAB CS(=O)(=O)c1ccc(N2CCC(Oc3ccn4nccc4n3)CC2)cc1 2298087845 QRIDRWHSQBJKPJ-UHFFFAOYSA-N 372.450 2.181 0 40 FEAB CNC(=O)c1ccc(/C=C/C(=O)NCCN2CCc3ccccc3C2)cc1 30317346 YYVDJRPXLBAJEH-DHZHZOJOSA-N 363.461 2.234 0 40 FEAB Cc1csc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n1 40145139 MHIKVTWXLRZINT-UHFFFAOYSA-N 369.468 2.067 0 40 FEAB Cc1[nH]c2nc(C(=O)N3CCC(C)CC3)nn2c(=O)c1Cc1ccccc1 100650742 BALJYLSZEWUZEW-UHFFFAOYSA-N 365.437 2.189 0 40 FEAB COc1ccc(Cl)cc1N1C(=O)C[C@H](N2C[C@H](C)O[C@H](C)C2)C1=O 102338005 GVJSHXHNJABFIA-WDMOLILDSA-N 352.818 2.090 0 40 FEAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 103503650 UPTRBEJUXTVCRA-ZQIUZPCESA-N 366.458 2.095 0 40 FEAB Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(O)c1 23324426 OCYPCBXIEROOMX-UHFFFAOYSA-N 369.421 2.224 0 40 FEAB COc1ccc(-c2n[nH]c(NC(=O)Cc3ccccc3C(=O)O)n2)cc1 71287364 FCKIFYPEBVNZNL-UHFFFAOYSA-N 352.350 2.360 0 40 FEAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)n1nnc2ccccc21 1215237 XYCGESPFXRQUFO-UHFFFAOYSA-N 370.434 2.294 0 40 FEAB CC(C)[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)N1C[C@H](C)O[C@H](C)C1 106142552 SBYYRAXEEKWANK-RVKKMQEKSA-N 374.485 2.289 0 40 FEAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2C[C@@H](C)O[C@H](C)C2)C1=O 34858912 QISJRZMHVINMGV-JMSVASOKSA-N 366.845 2.398 0 40 FEAB CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 106911971 LDQSHDJGXAFOHV-FQEVSTJZSA-N 371.525 2.410 0 40 FEAB CCCNC(=O)CN(CCC)C(=O)Cc1csc(NC(=O)C(C)C)n1 55827642 BXKDLESTXUIIBD-UHFFFAOYSA-N 368.503 2.045 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccc(Nc2ccccc2)cc1 4399862 PWEMKHCSDDFDRH-CYBMUJFWSA-N 371.393 2.196 0 40 FEAB CCCS(=O)(=O)NC1CCN(C(=O)c2cn(C)c3ccccc23)CC1 27053153 PGHQPVNQXQVIHA-UHFFFAOYSA-N 363.483 2.112 0 40 FEAB CNC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccccc1 9912257 RRWYSCBHFHMSAC-UHFFFAOYSA-N 366.464 2.300 0 40 FEAB Cc1cc(C)nc(SCc2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)n1 9935988 MZNDEXSFVSBDEV-UHFFFAOYSA-N 356.333 2.136 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1 2179138 ANFJJQBWBDMZGW-UHFFFAOYSA-N 366.483 2.322 0 40 FEAB CCCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2Cl)CC1 36392682 FPEQKKZJVQZQAI-UHFFFAOYSA-N 358.891 2.203 0 40 FEAB O=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 28421117 JIJFSXPUZGLKKI-UHFFFAOYSA-N 350.378 2.268 0 40 FEAB COc1ccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cn1 10991114 QEQMVQKVMZMYQZ-UHFFFAOYSA-N 354.815 2.077 0 40 FEAB CC(C)c1nnc2c(=O)n(CC(=O)NC3CCCC3)c3ccccc3n12 57522569 BDTLATHUFUZHLX-UHFFFAOYSA-N 353.426 2.226 0 40 FEAB COc1cccc(CNC(=O)CC[C@H]2N=C(O)N(Cc3ccco3)C2=O)c1 36601341 DTDGYFPUAQYJIK-MRXNPFEDSA-N 371.393 2.010 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(C)C)n2N)c1 11311677 OJPOZMRKHYZKDT-UHFFFAOYSA-N 369.516 2.190 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 25462338 POSMCCHXEBIMJG-HNNXBMFYSA-N 369.421 2.472 0 40 FEAB NC(=O)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 58338618 FAZYHDOOWATCOW-UHFFFAOYSA-N 350.216 2.268 0 40 FEAB Cc1ccc(-n2nc(C(=O)NCc3nnc4n3CCC4)c3c2CCC3)cc1 29785932 HZJGEUCXVROIJW-UHFFFAOYSA-N 362.437 2.137 0 40 FEAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nnnn1-c1ccccc1 2805616 WETCMGGGVUDJTI-UHFFFAOYSA-N 369.406 2.400 0 40 FEAB Cc1ccc(OCCN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 47331185 SZWAEVICVLTDKS-UHFFFAOYSA-N 352.456 2.349 0 40 FEAB COc1ccc(C)cc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12607734 OSIMODUWXJWKHB-UHFFFAOYSA-N 353.378 2.036 0 40 FEAB O=C(Nc1cc(F)ccc1C(=O)NCCNc1cnccn1)c1ccoc1 48265281 KWMQJFKTUNOXSC-UHFFFAOYSA-N 369.356 2.303 0 40 FEAB COCCNC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C 12781636 PYRCJDPFKFXIJK-UHFFFAOYSA-N 371.481 2.030 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3362988 YNXSIFYEIQGACW-UHFFFAOYSA-N 359.773 2.190 0 40 FEAB Oc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 100120855 FZPGDMIDZUPWDP-DNVCBOLYSA-N 352.438 2.281 0 40 FEAB NC(=O)CCc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C1CC1 12882152 ZNVBIHMOWIZSPQ-UHFFFAOYSA-N 369.450 2.487 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1 12891561 BQJRNVFTBODGOT-UHFFFAOYSA-N 354.472 2.203 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)c1 3426054 MLMAYWOUBKWUEO-UHFFFAOYSA-N 366.483 2.397 0 40 FEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1 3656740 CYGWMAXTGWIDCX-UHFFFAOYSA-N 351.361 2.354 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)Cc2coc3cc(C)ccc23)no1 96000995 CXARYQBRBZUZAT-OAHLLOKOSA-N 371.393 2.413 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccccc3C)C2=O)cc1 4483513 GGLUTAQHHQEGLD-SJORKVTESA-N 350.378 2.497 0 40 FEAB COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)s2)c(OC)c1 9254271 JKIJXYWYTPEDES-UHFFFAOYSA-N 362.451 2.462 0 40 FEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Cl)cc1F 14124933 TXUQWVFDEJQWCB-MRXNPFEDSA-N 361.804 2.330 0 40 FEAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCCCC[C@@H]12 9344349 MKJXSGXBUAJDHW-OXQOHEQNSA-N 369.490 2.384 0 40 FEAB Cc1cn(COCCOCc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O 4697980 ZLNMTZDYLAVQPW-UHFFFAOYSA-N 359.209 2.343 0 40 FEAB CN([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O 95416652 JFJVQXPHDLKODV-HZPDHXFCSA-N 355.404 2.356 0 40 FEAB Cc1c(C(=O)NCC(C)(C)N(C)C)nnn1-c1ccc2ncccc2c1 66817468 AZYBQVLGAGICMT-UHFFFAOYSA-N 352.442 2.194 0 40 FEAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1cccc2ccccc12 4940907 NOUIBUFSWDNFDK-UHFFFAOYSA-N 373.416 2.196 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 15518591 OGJPQWIHHZOEPJ-GOSISDBHSA-N 353.403 2.353 0 40 FEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 7842197 KFBAGOZMYPYSKZ-UHFFFAOYSA-N 374.412 2.378 0 40 FEAB CN(C)[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 89313995 XOSMGDBXDMIMDM-CVEARBPZSA-N 359.470 2.181 0 40 FEAB O=C(c1cccc(OCc2cccnc2)c1)N1CC[C@@H](N2CCOCC2)C1 72297659 GVFKAMUGPFDBIS-LJQANCHMSA-N 367.449 2.207 0 40 FEAB COCCN(CC(=O)O)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 95969824 RTVWWFVTMWSOCZ-UHFFFAOYSA-N 373.405 2.447 0 40 FEAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 21596207 ABCBJSBQMUCDSL-UHFFFAOYSA-N 358.375 2.283 0 40 FEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 24051059 PIBOZVMMPMYARZ-UHFFFAOYSA-N 359.856 2.222 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCC2)cc1 408597680 VTLOYUHLQCSQLP-ZDUSSCGKSA-N 354.472 2.201 0 40 FEAB O=C(Nc1ccccc1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314601 OEKGSYSWAZVSIF-UHFFFAOYSA-N 362.437 2.468 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cccc4c3CCCC4)C[C@H]2O)o1 1022985681 FDLVHAGMYJKQDD-QZTJIDSGSA-N 368.433 2.082 0 40 FEAB CC(C)NC(=O)CN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 32934754 PUEAJDDVIXPLAV-UHFFFAOYSA-N 371.403 2.424 0 40 FEAB O=C(NC[C@]1(OCCO)CCSC1)c1cccc(Br)c1 1565520440 TZCOUBILAMFCAN-CQSZACIVSA-N 360.273 2.064 0 40 FEAB CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2csnc2C(=O)O)C1 567794248 QYCIHCVDIBRYAZ-DTWKUNHWSA-N 350.487 2.136 0 40 FEAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)[nH]n1 72361488 WEVCWGVPYOMIAT-GDBMZVCRSA-N 369.473 2.366 0 40 FEAB CC(C)(CO)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392341 GZVLTLMWLOLGHL-UHFFFAOYSA-N 369.812 2.487 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)[C@@H](O)c2ccc(O)cc2)c1 40162338 LHMBBLYSXFOQBR-ORPRQENYSA-N 359.422 2.046 0 40 FEAB CCc1noc(-c2ccc(=O)n(CC(=O)Nc3cc(C)ccc3OC)c2)n1 49007544 ATPBJGNYVCEEBQ-UHFFFAOYSA-N 368.393 2.416 0 40 FEAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccoc3)n(C)n2)c1 77101342 HUEPBFUZXQIFFX-KRWDZBQOSA-N 371.393 2.161 0 40 FEAB O=C(c1cccc(F)c1)N1CCN(Cc2cnnn2-c2ccccc2)CC1 85470492 ZBRRTFJXLPYVRG-UHFFFAOYSA-N 365.412 2.364 0 40 FEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1OC 225183189 PTWURRAVBKTDKW-OAHLLOKOSA-N 356.422 2.237 0 40 FEAB CC(=O)Nc1ccc(CN2CCN3C(=O)N(c4ccccn4)C[C@H]3C2)cc1 85436160 ZFAGMLUUMCQCHV-GOSISDBHSA-N 365.437 2.166 0 40 FEAB biogenic,in-vitro CCOC(=O)/C=C1\CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1O 146605621 QHPMGOKMOQDGLM-ZCMXQVGASA-N 361.413 2.402 0 40 FEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F 331353176 XXUBVPUDWDUBIN-NHYWBVRUSA-N 360.426 2.298 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1ccccn1)C2 96230460 LTKZJKKEDBURKR-HXUWFJFHSA-N 354.429 2.144 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248139025 PRDGNQMJFHRNEA-IKGGRYGDSA-N 360.502 2.026 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 247886293 RUVXEPUYLJAVQG-HCKSERAJSA-N 358.438 2.094 0 40 FEAB CS(=O)(=O)N1CC[C@@H](Cc2cccnc2-c2ccc(C(=O)O)cc2)C1 257280329 OKKSIJHLKUCWKL-ZDUSSCGKSA-N 360.435 2.271 0 40 FEAB NC[C@]1(N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515336 IVOJQXDNJLFQSY-OAGGEKHMSA-N 354.834 2.075 0 40 FEAB O=C([C@@H]1CCCCO1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257326991 WZKGDXGHQCHCOI-HNNXBMFYSA-N 368.441 2.285 0 40 FEAB O=C(/C=C/c1cccnc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288386 YQOOJTSSGUCSMI-PCAREKGMSA-N 350.418 2.241 0 40 FEAB COCCNC(=O)C[C@@H]1CN(Cc2cccc(OC)c2)Cc2cccn2C1 585099045 GISZVLQAFFISDF-GOSISDBHSA-N 371.481 2.281 0 40 FEAB COc1ccc(CNC(=O)c2sccc2S(=O)(=O)NC2CC2)cc1 28928155 GOYAZXKJUXGXSK-UHFFFAOYSA-N 366.464 2.127 0 40 FEAB CCc1ccc([C@H](C)NC(=O)CN2CCN(c3ncccn3)CC2)cc1 37191920 JCDQSYFHDWRMTD-INIZCTEOSA-N 353.470 2.038 0 40 FEAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NOCc1ccccc1 45101364 REBAHHAYRIWXLL-UHFFFAOYSA-N 355.419 2.195 0 40 FEAB COc1ccc([C@@H](CO)CNC(=O)c2cc(C(F)(F)F)cnc2O)cc1 636020218 RQMMLGRDYUPNJD-LLVKDONJSA-N 370.327 2.321 0 40 FEAB Cc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19287718 KGEIYZVEPHYQIF-KDOFPFPSSA-N 368.485 2.017 0 40 FEAB O=C(Cc1ccccc1F)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19348207 YYQASLYWZAVFIO-OAHLLOKOSA-N 367.428 2.006 0 40 FEAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1 19502148 HPRHJOQKBBJTLA-IBGZPJMESA-N 372.517 2.369 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)C4CCC4)C3)c2N)cc1 19558751 XIQVJNXQFQPWIN-AWEZNQCLSA-N 368.437 2.294 0 40 FEAB Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN(C)C2)C1 19710994 JEZUEDSCZKXCTR-CQSZACIVSA-N 372.473 2.163 0 40 FEAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 225505748 PBAIKTYXZPCABK-ZDUSSCGKSA-N 371.441 2.093 0 40 FEAB C[C@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N1CCOCC1 24142282 VZUHPUKEZDVSEY-VIFPVBQESA-N 360.361 2.088 0 40 FEAB COC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 24439288 VQLAPOVJPMUXBB-OAHLLOKOSA-N 354.410 2.047 0 40 FEAB O=S(=O)(c1ccccc1)N1CCN(c2cc(C3CCC3)ncn2)CC1 2086968386 OAGNSXHJLFZHOY-UHFFFAOYSA-N 358.467 2.255 0 40 FEAB Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952187 CDZCEXTZMCGZOZ-UHFFFAOYSA-N 351.406 2.095 0 40 FEAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)cc1 40030630 XYAVALMSQJLNTD-KRWDZBQOSA-N 364.442 2.005 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H]1CCN(c2ccccc2)C1 40120962 PSPOKXGLFFRXLX-MRXNPFEDSA-N 364.511 2.377 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)C2(c3ccccc3)CCOCC2)C1 50427040 MPNCHGDUKUTICP-INIZCTEOSA-N 356.466 2.252 0 40 FEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1n[nH]c2ccccc12 32708409 NXURBSHIBJITSH-UHFFFAOYSA-N 364.405 2.217 0 40 FEAB CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 33211957 UJBWWMOURRIPCO-DOTOQJQBSA-N 372.469 2.058 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103411186 IUKVJLOXIBTVNQ-PEJOBZMASA-N 369.465 2.090 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1csc(C)n1 53930702 MCSXXNHTOLTADV-KRWDZBQOSA-N 356.451 2.296 0 40 FEAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 22903631 RVWSAFQUYONGLX-UHFFFAOYSA-N 374.418 2.282 0 40 FEAB COc1cccc([C@@H]2[C@@H](C(=O)Nc3nccs3)[C@@H](C)Nc3ncnn32)c1 104611307 CRQDODVQDBSDOA-DDTOSNHZSA-N 370.438 2.402 0 40 FEAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1OC 105740468 HXHDTFGHEBVZHX-OMRAMHMRSA-N 361.463 2.068 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2cc(C)no2)C(C)C)cc1 24510929 CEFPBULUASYWPV-INIZCTEOSA-N 366.439 2.338 0 40 FEAB CCC[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1 1328710 YWBJCOHEBDEQDR-KRWDZBQOSA-N 374.437 2.183 0 40 FEAB CCOC(=O)c1sc(NC(=S)NC(C)=O)c(C(=O)OCC)c1C 2158780 QDAAAMLHYWJILJ-UHFFFAOYSA-N 358.441 2.243 0 40 FEAB CCn1nc(C)c(CN(C)C(=O)c2c(Br)cnn2C)c1C 2777656 MNTOAWBTOIHACP-UHFFFAOYSA-N 354.252 2.288 0 40 FEAB CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 106894853 NYVCZKDKSIMWKE-CQSZACIVSA-N 366.487 2.247 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(F)cccc1F 3349851 OOIIRLFNUXICQT-LJQANCHMSA-N 371.343 2.297 0 40 FEAB NS(=O)(=O)c1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)o1 56105117 YWHQCOFHVYHYFP-UHFFFAOYSA-N 352.456 2.263 0 40 FEAB O=C(CSc1nc2nc(O)[nH]c(=O)c2s1)Nc1cc(F)ccc1F 4987588 WOZRFUKBQDCXOX-UHFFFAOYSA-N 370.362 2.094 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 7248382 RCIROAAFXWIIMC-HNNXBMFYSA-N 359.513 2.137 0 40 FEAB COc1ccccc1CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7688105 PUSDAIISERLNFT-UHFFFAOYSA-N 360.435 2.101 0 40 FEAB Cn1nc(C2CC2)cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142685 UOFRJUWNFFKQGE-KBPBESRZSA-N 370.428 2.486 0 40 FEAB CN(CCOc1ccccc1)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 57315478 PGMCXHFYHVBOPA-UHFFFAOYSA-N 355.438 2.444 0 40 FEAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NCC2CCCCC2)nc1N 12557523 RCEWTJNLPWTLLC-NSHDSACASA-N 366.487 2.413 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 58184895 ALTSHPGUXZLJRN-ZDUSSCGKSA-N 367.877 2.212 0 40 FEAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ccccc1 9378604 AOMDHGIHYSHKDU-GFCCVEGCSA-N 362.407 2.242 0 40 FEAB O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCS(=O)(=O)c2ccccc21 11001641 NUFSCGRMFXLHHS-INIZCTEOSA-N 357.431 2.199 0 40 FEAB CN(C)CCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2407084 FJAAPRYJUDZBQS-UHFFFAOYSA-N 364.449 2.282 0 40 FEAB CC[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 29250030 BRSLNZOGGNANSE-INIZCTEOSA-N 366.483 2.301 0 40 FEAB CC(C)(C)OC[C@H](O)CN1CCN(c2ccc(Br)cn2)CC1 46055320 FLKRQWQKXLSWJM-CQSZACIVSA-N 372.307 2.142 0 40 FEAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1ncc(Cl)c(Cl)c1=O 2619395 OPHIFKWPHODWQF-QMMMGPOBSA-N 370.192 2.156 0 40 FEAB O=C(Nc1nnc(-c2ccccn2)s1)C1CCN(c2ncccn2)CC1 46760636 ULXWLXSECILHPI-UHFFFAOYSA-N 367.438 2.245 0 40 FEAB CN(C)c1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)ccn1 48191227 QBMRITVCWHJIED-OAHLLOKOSA-N 354.458 2.443 0 40 FEAB COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1OC 48325256 CGIAMCYHBJBCJE-OAHLLOKOSA-N 372.421 2.304 0 40 FEAB COc1ccccc1CN(C)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 12888096 HNCKJXNOGSBKTI-UHFFFAOYSA-N 371.368 2.310 0 40 FEAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12813223 DNHBROMRNCUIOY-LLVKDONJSA-N 374.466 2.446 0 40 FEAB O=C(C[C@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(Cl)cc1Cl 13720626 CYLNXQDPBDFDAT-GFCCVEGCSA-N 371.224 2.349 0 40 FEAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 5172493 WCXVQPRQVPWAPU-UHFFFAOYSA-N 362.329 2.050 0 40 FEAB O=C(CNC(=O)[C@H]1COc2ccccc2C1)Nc1ccc(F)c(F)c1F 9495878 UPDHTOONTZOFRL-LLVKDONJSA-N 364.323 2.410 0 40 FEAB O=C(CCOC1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1 175431991 QJUZCYDKWINABZ-UHFFFAOYSA-N 359.426 2.062 0 40 FEAB O=C(O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(C(=O)O)c1 5590921 MISHZJJICXGDAI-UHFFFAOYSA-N 354.362 2.045 0 40 FEAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCO 6658663 MOOSRFLOPCPPSG-SNVBAGLBSA-N 365.813 2.201 0 40 FEAB Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccco1 7077420 CRCKTMCRPSUNPB-UHFFFAOYSA-N 371.422 2.069 0 40 FEAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 15952011 GWHKXHYCKANVSO-CYBMUJFWSA-N 353.378 2.153 0 40 FEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1N1CCCC1=O 7726641 JWVBMKRMCBRSDR-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB Nc1nc(COC(=O)c2cnc3ccccc3n2)nc(Nc2ccccc2)n1 8189839 LIYOPPOKNSGZGE-UHFFFAOYSA-N 373.376 2.498 0 40 FEAB COc1ccc(CNC(=O)Cn2ccc3ccccc3c2=O)cc1OC 8222972 SXHTVIOAGIYCCC-UHFFFAOYSA-N 352.390 2.335 0 40 FEAB CC[C@@H](C)C(=O)NCC(=O)N1CCCN(CCCc2ccccc2)CC1 70012616 MMQUQPIHRRYECB-GOSISDBHSA-N 359.514 2.316 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)OCO2 8692732 YXKSPPTZMGGTFN-UHFFFAOYSA-N 374.418 2.452 0 40 FEAB CS(=O)(=O)c1ccc(NCCc2ccccc2)c(S(C)(=O)=O)c1 8726091 FAVYPWSYZAUCJI-UHFFFAOYSA-N 353.465 2.148 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)c1[nH]c(C)c(C(=O)OC)c1C 8921580 MBYYQDHPUFGVAK-UHFFFAOYSA-N 365.411 2.264 0 40 FEAB CCOC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 72281026 FUCWZEGZTCYXNG-HKUYNNGSSA-N 372.465 2.398 0 40 FEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N(C)Cc1cccc(O)c1)C2=O 84207892 YZUUTADHRHANNJ-UHFFFAOYSA-N 352.390 2.345 0 40 FEAB CSc1cccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)c1 89496609 LFLBKNMTUSSIHF-UHFFFAOYSA-N 372.498 2.142 0 40 FEAB CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 409389352 OPLPLDHVAWAPAN-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB Cn1nccc1C1CCN(c2ncnc3ccc(S(C)(=O)=O)cc23)CC1 302674699 MEZRKEBHEGLLJP-UHFFFAOYSA-N 371.466 2.151 0 40 FEAB CC(=O)N1CCOC[C@@]2(CC[C@@H](CNCc3ccc4ccccc4n3)O2)C1 306137865 RIODOFNKROMGRB-PZJWPPBQSA-N 369.465 2.121 0 40 FEAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408590369 GJWDUOUJYNUQAF-MAUKXSAKSA-N 360.479 2.491 0 40 FEAB CCn1c(O)nc2cc(C(=O)N[C@H](C)c3cnn(C(C)C)c3)ccc2c1=O 524281671 OQFRUQLHJCCKFX-GFCCVEGCSA-N 369.425 2.390 0 40 FEAB Cc1ccc(S(=O)(=O)n2ccc3c(N4CCOCC4)ccnc32)cc1 36719637 CXBQVYUOVRHGSV-UHFFFAOYSA-N 357.435 2.418 0 40 FEAB O=C(NCCSCc1ccccc1F)c1cnc2ccccn2c1=O 32894851 CROGPMVUMZYZIY-UHFFFAOYSA-N 357.410 2.497 0 40 FEAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccn(C)c3=O)ccc21 49507164 MGCJAXQCCGCCPO-UHFFFAOYSA-N 369.421 2.409 0 40 FEAB Cc1nc2ccccn2c1-c1nnc2sc(CCN3CCCC3)nn12 227144030 XVUFVHXUBUXTHY-UHFFFAOYSA-N 353.455 2.447 0 40 FEAB O=C(NCCOc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)nc1 44920449 VLCLSLRRDNYFTR-UHFFFAOYSA-N 353.300 2.234 0 40 FEAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222984500 HVKHZEUEKLXRJB-OAHLLOKOSA-N 350.459 2.221 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1 47080923 KFERPHINSBNQRM-CYBMUJFWSA-N 358.419 2.416 0 40 FEAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 41616196 ARRUJLNHHYPLKW-UHFFFAOYSA-N 369.328 2.189 0 40 FEAB CSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 225591912 UQPIKVFZPRQBKZ-UHFFFAOYSA-N 370.481 2.188 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 223797767 JMKHHEJGKJLIRE-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCCSc2ncn[nH]2)n1 225916110 NMOYOOAOVUVJKP-UHFFFAOYSA-N 369.454 2.477 0 40 FEAB COC(=O)CC[Sn](Cl)(Cl)CCC(=O)OC 195765561 JWRNFZDNZYMTDQ-UHFFFAOYSA-L 363.813 2.032 0 40 FEAB Cc1cc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)c(C)o1 96248827 FVCQLOWSBLCJQQ-MSOLQXFVSA-N 359.426 2.227 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96223012 JPTWRRGPARKDFH-DNVCBOLYSA-N 356.401 2.492 0 40 FEAB COCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 95116135 LWTFCPCHKYWJLF-UHFFFAOYSA-N 353.400 2.005 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 248131716 NLQHHJNGBBVBKR-HNNXBMFYSA-N 374.510 2.201 0 40 FEAB CN(C)c1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 245231981 NMTLANMRBIWXBV-HHGRMVDFSA-N 351.834 2.199 0 40 FEAB C[C@@]1(NC(=O)c2ccnc(Cc3ccccc3F)c2)CCS(=O)(=O)C1 257340674 ZHDQSKHMQQUHDC-GOSISDBHSA-N 362.426 2.119 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCC1=O 250394622 GORHNYQTQWDZIW-YDHLFZDLSA-N 364.467 2.289 0 40 FEAB CC(=O)N1CCC(c2nccnc2CNC(=O)Cc2cccs2)CC1 257287220 PPARCBWZZOJTNA-UHFFFAOYSA-N 358.467 2.123 0 40 FEAB O=C(NCCC1SCCS1)N[C@@H](C1CC1)C1(CO)CCOCC1 1123570593 HBGBRNSDFHAKDC-AWEZNQCLSA-N 360.545 2.050 0 40 FEAB Cn1cc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c2ccccc2c1=O 683217469 GIKGMHGVMUWOTM-QFIPXVFZSA-N 373.412 2.275 0 40 FEAB O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCOCC2)C1 585282703 NAGAIMVZZFJXRF-QGZVFWFLSA-N 359.825 2.100 0 40 FEAB COc1cc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)on1 585101556 HFJGISXIOZFABT-LJQANCHMSA-N 355.394 2.261 0 40 FEAB C[C@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)[C@@H]1CCCS1 585098382 XHXQKRKQEWYLBL-JSGCOSHPSA-N 359.455 2.051 0 40 FEAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(F)c1F 31669069 KVDHBPQCFDILHD-UHFFFAOYSA-N 358.341 2.175 0 40 FEAB CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCC[C@H]2C)ccc1OC 36350865 FEUJYNOBYXDQMA-AORWBKJGSA-N 352.456 2.018 0 40 FEAB Cc1nnc([C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)o1 750044786 DMPSDMPYLQIYDA-VIFPVBQESA-N 353.308 2.219 0 40 FEAB O=C(NCCCN1CCOCC1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565524435 HEURZOHAEZQECJ-UHFFFAOYSA-N 371.462 2.195 0 40 FEAB COCc1nc2c(-n3c(S)nc4cc(F)ccc4c3=O)cccn2n1 1775968377 DSAHQXZHXHLEOJ-UHFFFAOYSA-N 357.370 2.003 0 40 FEAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 5240463 KJUSMOOGLMSJAD-AWEZNQCLSA-N 356.378 2.118 0 40 FEAB COCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 5027240 RFFYMAJKSBRYJP-UHFFFAOYSA-N 361.471 2.091 0 40 FEAB Cc1csc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)n1 11997165 CPORECVNUQLFSU-NSHDSACASA-N 368.484 2.383 0 40 FEAB CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccccc1OC 14032580 MLPIFSZXYUCGGC-AWEZNQCLSA-N 359.451 2.168 0 40 FEAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2)s1)c1ccco1 15674463 SWKDEKMLDHEQLU-UHFFFAOYSA-N 350.381 2.184 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19078823 LCSSFCCCGUEILS-FZKQIMNGSA-N 370.428 2.392 0 40 FEAB CCc1nnsc1C(=O)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 19521852 IWPQCCHRYAKSDT-GOSISDBHSA-N 356.451 2.061 0 40 FEAB COc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1OC 19568049 PNGSYQXCBZICLR-KRWDZBQOSA-N 354.454 2.477 0 40 FEAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)N[C@@H](C)Cc1ccccn1 19579509 VUAPCQNBFXXDAZ-AWEZNQCLSA-N 362.433 2.430 0 40 FEAB CCn1nc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2c1=O 19716924 ZVFBHGQMURRRHT-LBPRGKRZSA-N 367.453 2.128 0 40 FEAB c1ccc2cc(OCc3cc(N4CCNCC4)n4ncnc4n3)ccc2c1 19927115 CGAZKHKPPCEJOG-UHFFFAOYSA-N 360.421 2.266 0 40 FEAB COCCN1CC[C@@H](NC(=O)c2ccc(N(C)c3ccccc3)nc2)C1 520767265 INDZICMZKOQCDP-QGZVFWFLSA-N 354.454 2.300 0 40 FEAB CC(C)c1nc(N2CCN(C(=O)C3CC(F)(F)C3)CC2)nc(O)c1F 1888834750 RAVDCPVHVOEHGM-UHFFFAOYSA-N 358.364 2.139 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 1147163332 XNMJUJXLYMVLAH-UHFFFAOYSA-N 365.433 2.428 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cc[nH]n3)CC2)CN1c1cccc(F)c1 2037989170 YGLAVBBCDXYMIU-IBGZPJMESA-N 358.417 2.337 0 40 FEAB COC1(CC(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)CCC1 1614939083 QYRRYJVCCVVHBU-ZWKOTPCHSA-N 361.486 2.318 0 40 FEAB CCOC(=O)c1c(C)n(C)c2cc3c(cc12)OC(=O)[C@]3(O)C(F)(F)F 2501608 FHEGBQGSMRWRCG-HNNXBMFYSA-N 357.284 2.332 0 40 FEAB CN(C)CCN(C(=O)C1=COCCO1)c1nc2c(F)cc(F)cc2s1 4359428 WMUMKSHSMVVTGN-UHFFFAOYSA-N 369.393 2.357 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1OC 5375950 CCCFSWIXRYBMLS-UHFFFAOYSA-N 355.350 2.159 0 40 FEAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2cccc(Cl)c2)CC1 2055772695 QVDNMOLZIQDZLS-UHFFFAOYSA-N 360.845 2.256 0 40 FEAB Cc1ccc(-c2ccc(N3CCN(Cc4nnc(C)o4)CC3)nn2)cc1 1775975176 BBLUYHJJNPIMLP-UHFFFAOYSA-N 350.426 2.466 0 40 FEAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2ncc(Br)cn2)C1 2086860533 XNAFTGLUSWANGV-AWEZNQCLSA-N 366.194 2.191 0 40 FEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@H](Oc2ncccn2)C1 575610693 NGZHRHIHDYWFNN-LBPRGKRZSA-N 373.356 2.337 0 40 FEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20057828 AQIIREKTSJWFLI-STQMWFEESA-N 359.426 2.311 0 40 FEAB CCN(C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)C1CC1 40120028 CCLBJIINWQQKHL-UHFFFAOYSA-N 367.852 2.248 0 40 FEAB CC(C)[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nccs1 20728577 UAAJHBPJMJZFSQ-KGLIPLIRSA-N 361.423 2.062 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2[nH]cnc2c1 32721164 WHPUBYWOAZZRJD-MRXNPFEDSA-N 356.451 2.428 0 40 FEAB COC(=O)C[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cccs1 32900781 OHZKGJBAUZNWGN-JSGCOSHPSA-N 374.418 2.258 0 40 FEAB O=C(NCCCn1ccnc1)c1ccc(Cn2nnc3ccccc32)cc1 23238688 LBAOPJIIROXLMQ-UHFFFAOYSA-N 360.421 2.496 0 40 FEAB O=C(CN1CCN(Cc2ccsc2)CC1)NC(=O)Nc1ccccc1 23249016 ADGULVQSLSUNRM-UHFFFAOYSA-N 358.467 2.214 0 40 FEAB C[C@@H](CCc1ccco1)NC(=O)COCc1nc2ccccc2c(=O)[nH]1 24775556 LLOWOORXAOKGEQ-ZDUSSCGKSA-N 355.394 2.170 0 40 FEAB CC(C)C(=O)Nc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 24968209 NZCUDCSYWUSRBS-UHFFFAOYSA-N 364.405 2.448 0 40 FEAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCc4ccccc4C3)[C@H]2N1 34892178 DHLKEKGKCYSYGO-RYRKJORJSA-N 359.495 2.297 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)c3ccccc3)CC2)cc1 34892187 CRMRUMXNUGVLDL-FQEVSTJZSA-N 374.506 2.425 0 40 FEAB CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21 4375156 IQDQFMRVRXGBFU-UHFFFAOYSA-N 360.410 2.034 0 40 FEAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 6707083 YLOMHFNXHRWTKW-UHFFFAOYSA-N 360.435 2.453 0 40 FEAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 57117986 UVWDYYGTZWRYBJ-UHFFFAOYSA-N 354.395 2.159 0 40 FEAB CCN(CC(=O)NC(C)(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 7487506 IHTOFSLAOGEQBC-UHFFFAOYSA-N 362.499 2.210 0 40 FEAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 57355231 JJOLBMAVXFFMIG-CYBMUJFWSA-N 366.893 2.475 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(c1)NC(=O)CCS2 58369603 BLOLRMCHUAPFEX-UHFFFAOYSA-N 365.455 2.375 0 40 FEAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 2241633 TZADOPULMZEIMI-CYBMUJFWSA-N 360.435 2.431 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100886350 JDRAQFXCNZIIPO-QWNWYNEWSA-N 357.406 2.101 0 40 FEAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccccc1Cl 36396776 BEUHLVSBVLQXKU-UHFFFAOYSA-N 352.843 2.189 0 40 FEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 11203760 ZRPFZARUMYSORJ-VIFPVBQESA-N 374.871 2.133 0 40 FEAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1nc2ncccn2n1 36618760 QGQAZAWLDAUJNI-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB O=C(NC[C@H]1CCCO1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2621771 DWZQQTMYZSALPM-MRXNPFEDSA-N 363.417 2.354 0 40 FEAB O=C(CN1CCc2sccc2C1)NCCc1ccc2c(c1)OCCO2 48276547 JEUABIYCUYYSBW-UHFFFAOYSA-N 358.463 2.236 0 40 FEAB O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71334235 WDVQPMOGCCSYBG-QGZVFWFLSA-N 370.478 2.390 0 40 FEAB COc1cc(C)c(S(=O)(=O)Nc2nc3ccc(F)cn3n2)cc1C 95466257 UQDPGVUMQQRWOX-UHFFFAOYSA-N 350.375 2.295 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 10112764 OCBZNYSAZCCKOW-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 12808005 SCNYQWZKYIZFSO-UHFFFAOYSA-N 362.389 2.475 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2 3459779 IBVXFCNDTMNVBV-LLVKDONJSA-N 371.345 2.371 0 40 FEAB CN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 12913766 OJXLESLELRRVLY-QGZVFWFLSA-N 357.431 2.177 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@@]2(O)CCCC[C@H]2C1 4073736 GWOYTLYMCAAZGT-YWZLYKJASA-N 357.406 2.325 0 40 FEAB biogenic CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 65589790 VLYCYHHTPIXEDK-HNNXBMFYSA-N 353.827 2.207 0 40 FEAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(C)cc1C 65562646 KFJNADPQEZMGBK-KBPBESRZSA-N 356.513 2.282 0 40 FEAB COc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1Cl 14159565 LIAIUVWTWBBINX-UHFFFAOYSA-N 373.796 2.381 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14182815 SHQWRIWTVZKSOL-XIKOKIGWSA-N 365.389 2.110 0 40 FEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(N2CCOCC2)nc1 14113182 UKCYFYOICBJMBS-UHFFFAOYSA-N 369.421 2.311 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccc(F)cc1)C2=O 4564142 PWMFVRWRGRPGFW-UHFFFAOYSA-N 365.430 2.450 0 40 FEAB COc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccncc2)cc1 4500827 QLAAYFQOTPYNMJ-LLVKDONJSA-N 355.423 2.304 0 40 FEAB O=C(c1ccc(Cl)cc1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306138141 RQIKSVOPHVNLPY-NUEKZKHPSA-N 358.829 2.329 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 6875112 FBDIQZPASWZVEA-IXDOHACOSA-N 361.486 2.198 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)s1 15193677 OTUXCRDZLSRDIX-UHFFFAOYSA-N 369.402 2.443 0 40 FEAB NC(=O)c1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 7927256 CJJCIPNGWUBFDB-MRXNPFEDSA-N 373.478 2.467 0 40 FEAB COc1ccc(C(=O)N(C)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 17793270 BTPAMDSAMCUKCG-UHFFFAOYSA-N 364.423 2.438 0 40 FEAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1Cl 95995686 HVOJZVZCOYDVLF-UHFFFAOYSA-N 374.871 2.357 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 75636535 UHOWLVVLXAIQSZ-NWANDNLSSA-N 370.902 2.374 0 40 FEAB CCOc1ccc(CNC(=O)c2snc(C(=O)N3CCCC3)c2N)cc1 62006799 SSTDCRFDOMMAAC-UHFFFAOYSA-N 374.466 2.290 0 40 FEAB COc1ccc(N(CCCC(=O)N2CCCCC2)S(C)(=O)=O)cc1 113961316 LPTRUNZUMDZIOC-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 306133249 MGRMYTMTVZARBT-SJORKVTESA-N 374.448 2.230 0 40 FEAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 306130500 JIJZKLXYIOOXFY-UHFFFAOYSA-N 359.499 2.318 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408595601 QWCQYPKULDVFKE-UONOGXRCSA-N 356.488 2.303 0 40 FEAB O=S1(=O)C[C@@H](CNc2ncnc3c2ncn3C2CC2)c2ccccc21 516147543 AEOUPCXOHONHNY-LLVKDONJSA-N 355.423 2.144 0 40 FEAB COC(=O)c1ccccc1CC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 540513776 IDVIFBIRUHVMNF-MRXNPFEDSA-N 366.417 2.217 0 40 FEAB NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218428587 XIHCLCRTZLATCX-IKGGRYGDSA-N 351.855 2.217 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 560739432 BSOXPGMOMNVTLP-SECBINFHSA-N 354.769 2.088 0 40 FEAB COc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219430387 ALBGHEFFKIJDFN-UHFFFAOYSA-N 374.418 2.259 0 40 FEAB Cc1cc(NC(=O)C(=O)NCCc2ccccn2)ccc1Br 42646190 OHAJECOPCIMDGN-UHFFFAOYSA-N 362.227 2.450 0 40 FEAB O=S(=O)(Nc1cnc2ccnn2c1)c1ccc(Br)s1 225576138 ZSXQZIZTWNHGQB-UHFFFAOYSA-N 359.230 2.354 0 40 FEAB COc1cccc(N(CCCC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 223919249 FIVUWLSWCROXBW-OAHLLOKOSA-N 368.499 2.500 0 40 FEAB C[C@](O)(CNC(=O)c1ccc(Br)o1)c1ccc2c(c1)OCO2 77184453 QXEDDCBJNHLDBM-HNNXBMFYSA-N 368.183 2.408 0 40 FEAB O=C(Cn1cc(NC(=O)c2cccc(Br)c2)cn1)NC1CC1 48383170 RWJFLOAFFOXANA-UHFFFAOYSA-N 363.215 2.177 0 40 FEAB Cc1cccc(CNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225943141 NFYVFEJYUJITEB-QGZVFWFLSA-N 364.442 2.431 0 40 FEAB CC(=O)N1CCCN(C[C@H]2CCCN(c3ncnc4ccccc34)C2)CC1 577578134 RSVHIYBNRQZKFB-GOSISDBHSA-N 367.497 2.400 0 40 FEAB CC(C)(C)c1csc(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 95472664 ZTZYRWCWNBVLIQ-MRXNPFEDSA-N 370.482 2.375 0 40 FEAB CCOC1CC2(CCN(C(=O)[C@H]3CCCCN3C(=O)c3cccnc3)C2)C1 585082608 PQDLENAJAWICDE-IDYZSHNDSA-N 371.481 2.494 0 40 FEAB COC[C@@H]1COCCC12CCN(S(=O)(=O)c1ccccc1C)CC2 96106313 HXIJISRMOCTMEW-MRXNPFEDSA-N 353.484 2.449 0 40 FEAB COc1ncccc1CN1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 96063214 WXGBOHMTLWIAMZ-FQEVSTJZSA-N 352.438 2.110 0 40 FEAB CCS(=O)(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)OC[C@@H](CO)O1 96531798 CTRJYALJCLKXJQ-RTBURBONSA-N 362.447 2.349 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)n1 248007037 CHQLKDHCAURHPZ-IBGZPJMESA-N 356.470 2.382 0 40 FEAB Fc1cnc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)nc1 247560149 YOCYOEQMUBQAFM-HNNXBMFYSA-N 351.422 2.044 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257231601 GHKZDQLRNKASSC-QGZVFWFLSA-N 357.458 2.358 0 40 FEAB C[C@H]1Oc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc2NC1=O 252502653 USKUOWUOJRTPKL-SNVBAGLBSA-N 352.437 2.288 0 40 FEAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)cc1C 85559511 QCZIQFWGGYZZEK-KRWDZBQOSA-N 354.406 2.027 0 40 FEAB Cc1ccsc1CN1Cc2cncn2[C@@H](COCC(=O)N2CCCC2)C1 253599855 VKXPTPXJVYPAIS-QGZVFWFLSA-N 374.510 2.449 0 40 FEAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)Cc1ccccc1Cl 260798219 QLASBWDRIRDIED-XEZPLFJOSA-N 370.902 2.406 0 40 FEAB COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)cn2)C1 630290020 GUDZSEARUAOVFL-CQSZACIVSA-N 356.378 2.472 0 40 FEAB O=C1NC2(CC(c3ccccc3)C2)C(=O)N1Cc1nnc2n1CCCCC2 657268732 NEHFCTLYPZDVSG-UHFFFAOYSA-N 365.437 2.373 0 40 FEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](CO)c1ccccc1 665591073 YKKUJIMNKRQKNG-LJQANCHMSA-N 354.450 2.258 0 40 FEAB CS(=O)(=O)C1(C(=O)NCc2ccnc(OC3CCCCC3)c2)CCC1 684421949 KBJJSINUBATAIR-UHFFFAOYSA-N 366.483 2.377 0 40 FEAB COc1cccc(F)c1CN1C[C@H](CC(=O)N2CCCC2)[C@@H](OC)C1 585277159 FYWDZBIPJNGIPM-KSSFIOAISA-N 350.434 2.294 0 40 FEAB COCc1cccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1 585111228 KJTWKWUPLICOBH-QGZVFWFLSA-N 355.438 2.118 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 69980003 WVZHTZQAPCYVHH-KRWDZBQOSA-N 350.484 2.109 0 40 FEAB O[C@H]1[C@H](NCC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 952844876 QBWBFXUJDHYTEW-SSSFQFABSA-N 369.465 2.356 0 40 FEAB biogenic,in-vitro Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 36047845 NKZWZYGQJGJDNF-UHFFFAOYSA-N 373.478 2.183 0 40 FEAB O=C(c1ccnc(O)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775995096 BJJXOBXYYRPNIQ-UHFFFAOYSA-N 354.410 2.386 0 40 FEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(CN2CCOCC2)cc1 100220924 JDDJRVAFESPPHC-PJBUMPDVSA-N 364.445 2.076 0 40 FEAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccc(F)cc1 11745228 IZLCBTGXPWQHBI-UHFFFAOYSA-N 353.357 2.266 0 40 FEAB CC(=O)Nc1c(C)ccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1C 12447421 BTENCFRRHDYMJF-UHFFFAOYSA-N 367.405 2.486 0 40 FEAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 15109661 YDZPNPAPMCCGSQ-UHFFFAOYSA-N 363.391 2.198 0 40 FEAB O=C(Cc1cccc(F)c1)NCCn1nc([C@H]2CCNC2)c2cccnc21 19293753 IKTGTWSNPOLNKK-HNNXBMFYSA-N 367.428 2.006 0 40 FEAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 225504746 IJYBPJVBSYLLOT-ZDUSSCGKSA-N 357.414 2.092 0 40 FEAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)COc1ccc(Cl)cc1Cl 225634331 VTSGVQKJVXDISU-CMPLNLGQSA-N 362.209 2.161 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccccc2n1C 19657001 RTYLRYSCJSDMRB-UHFFFAOYSA-N 370.478 2.386 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(C)cc2)cc1 3327930 SBWCNCOLABKMOD-UHFFFAOYSA-N 355.438 2.190 0 40 FEAB O=C(NCc1nc(-c2ccsc2)no1)N[C@H](Cc1ccccc1)C(=O)O 13241896 QPKMYWIRFKFTEB-CYBMUJFWSA-N 372.406 2.293 0 40 FEAB CCc1nc(N2C[C@H]3CN(C(=O)[C@H]4CC=CCC4)C[C@H]3C2)nc(O)c1F 1888850427 PHKCGHYNCUWOEV-MELADBBJSA-N 360.433 2.135 0 40 FEAB C[C@H](c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889108898 QXOYYRYHRRYWMQ-QGZVFWFLSA-N 353.470 2.196 0 40 FEAB CC[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@H]2CC)cc(C(=O)N2C[C@H]2CC)c1 95850909 WTGFSHHTVSYGMF-AEOGOUBPSA-N 369.465 2.390 0 40 FEAB COCCN1CC[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 1565542163 YJHTXBSCJIZMFY-FQEVSTJZSA-N 362.445 2.246 0 40 FEAB CCc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1 4585939 QGEXCXSMCOYFPW-UHFFFAOYSA-N 354.439 2.347 0 40 FEAB Cc1nc2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2s1 13792250 RUZULNXHCDRRTR-ZDUSSCGKSA-N 353.469 2.357 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3c(F)cccc3s2)C1 13790451 PMSCZDROQIOFCP-VIFPVBQESA-N 357.432 2.046 0 40 FEAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178417 CBMLWLOZICVLDQ-LJQANCHMSA-N 373.497 2.015 0 40 FEAB COC(=O)c1ccsc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4281362 CFEMWIXEOOQRGB-UHFFFAOYSA-N 358.375 2.440 0 40 FEAB O=C(O)CCS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101160507 KPBHULSXWJFNDR-SNVBAGLBSA-N 358.213 2.289 0 40 FEAB COc1ccc(CNC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1OC 32095811 PCEZKPKKWADFID-UHFFFAOYSA-N 353.378 2.440 0 40 FEAB CC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)O)c3ccccc13)C2=O 32124457 OQDGSDAPYRLSDR-UHFFFAOYSA-N 367.449 2.341 0 40 FEAB biogenic Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cnn1C 32376572 BBYIWIMDGSQMRL-KRWDZBQOSA-N 362.861 2.185 0 40 FEAB O=C1OCCN1CCc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 32927804 YHXUUCKOSCCQLG-UHFFFAOYSA-N 360.439 2.369 0 40 FEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCCCc2ccccc21 103291093 HDOKGRXOAWKABP-STEAMIEHSA-N 350.418 2.163 0 40 FEAB O=C(CSCc1cccnc1)NCc1ccccc1CN1CCOCC1 41777463 MCGRXAMFDYLFOM-UHFFFAOYSA-N 371.506 2.463 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 807319 ZSGLWJRCCMEEPV-ZDUSSCGKSA-N 366.439 2.052 0 40 FEAB COc1ccc([C@H]2CCCN2c2ccc(S(N)(=O)=O)cn2)c(OC)c1 23804808 JSWAUXRTKYTZPB-OAHLLOKOSA-N 363.439 2.088 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1COc2ccccc2C1 43138647 GHERMTGJJYDWNS-SFHVURJKSA-N 373.497 2.324 0 40 FEAB COc1cc(C)c(CN(C)S(=O)(=O)N2CCC(C)CC2)cc1OC 24838338 UZRFNMXVUCWMSG-UHFFFAOYSA-N 356.488 2.421 0 40 FEAB COC(=O)c1n[nH]c2ccc(NC(=O)COc3ccccc3OC)cc12 25013229 HUSBBVCKTKZZLZ-UHFFFAOYSA-N 355.350 2.376 0 40 FEAB Cc1cc(I)cnc1NC(=S)NC(=O)C(C)C 6572505 ULIJEUCUCNFOEK-UHFFFAOYSA-N 363.224 2.464 0 40 FEAB CC(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6616093 KBSGTXGWNJEAMS-SECBINFHSA-N 353.271 2.432 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 7046798 NMXOYFDMEJSPDF-UHFFFAOYSA-N 357.410 2.293 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(Cc2ccccc2)CC1 25507762 GJLULJIQVCYPGX-QFBILLFUSA-N 357.498 2.054 0 40 FEAB Cc1ccc(C)c2c(C)c(C(=O)N3CCN(S(C)(=O)=O)CC3)oc12 56390140 AMCBKUOJNNCCBX-UHFFFAOYSA-N 350.440 2.075 0 40 FEAB Cc1cccc(OCCNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 43780685 BXNCXFVQGAXMNN-MRXNPFEDSA-N 355.442 2.132 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(C(=O)N(C)C)CC1 43703889 ASGUTTPVMWJXHC-UHFFFAOYSA-N 354.454 2.430 0 40 FEAB CC[C@@H]1CCc2nc(NC(=O)CCC(=O)N3CCOCC3)sc2C1 57179229 YKHVSEZXIUDFBD-GFCCVEGCSA-N 351.472 2.236 0 40 FEAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298616 LTLXKIHQNGVXSC-SUMDDJOVSA-N 371.485 2.241 0 40 FEAB biogenic,in-vitro C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 12534294 JVUZUDJDHGVQNR-FUHWJXTLSA-N 358.486 2.213 0 40 FEAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccn(-c2cccc(F)c2)n1 58191526 AJKWZJSJRQDLKP-UHFFFAOYSA-N 356.357 2.245 0 40 FEAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCCN1CCCCC1 100217235 XLMGCVDTDBSLHG-XGHQBKJUSA-N 369.465 2.066 0 40 FEAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC(C)C)cc1 59765374 PZMCGMQERGRVGU-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)s1 11200200 NQBHYKDONCQXDJ-UHFFFAOYSA-N 370.883 2.397 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102795326 OGJORKYMDLSCNA-DGAVXFQQSA-N 356.513 2.310 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)CC1 100747533 SZBLOSCEKWJJPF-INMHGKMJSA-N 358.486 2.034 0 40 FEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 10331041 QCUXVMJTZIDLTC-ZDUSSCGKSA-N 353.781 2.430 0 40 FEAB Cc1ccnn1-c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 48277590 KPPDGZJQCGRRHL-UHFFFAOYSA-N 350.426 2.429 0 40 FEAB CCN(CC)C(=O)c1cccc(NC(=O)c2nc3nccc(C)n3n2)c1 12783333 FLJYRALINWJEGI-UHFFFAOYSA-N 352.398 2.167 0 40 FEAB O=C(NCCCC(=O)N1CCCN2CCC[C@H]2C1)c1ccc(F)cc1F 65592975 ZYPAURNAPVOSEF-HNNXBMFYSA-N 365.424 2.172 0 40 FEAB COC(=O)[C@H](NC(=O)COc1ccc(Br)cc1F)C(C)C 9363939 DXABNSXWOOXHNP-CYBMUJFWSA-N 362.195 2.281 0 40 FEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 14137132 BWLIMCIXMBTRRQ-SFHVURJKSA-N 353.422 2.057 0 40 FEAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 4505383 ZJKMWNYHMCGXAH-HNNXBMFYSA-N 359.513 2.281 0 40 FEAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCNC1=O 6543258 AJRNNMXLHHBVMT-UHFFFAOYSA-N 352.466 2.307 0 40 FEAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408593236 LYAUVUCDXZEEOQ-KRWDZBQOSA-N 360.479 2.491 0 40 FEAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)c1 5670242 KUECFSHSRDNLBD-OAHLLOKOSA-N 371.372 2.321 0 40 FEAB CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O 9497805 BUXKGRTWBCVENV-MRVPVSSYSA-N 365.436 2.148 0 40 FEAB CCOC(=O)c1ccccc1NC(=O)Cn1ncc(=O)c2ccccc21 7250582 MNSWLAGVYMONFH-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2Cl)c2ccccc2O1 7826085 ZLIOJCVSUQXEOJ-MRXNPFEDSA-N 360.797 2.259 0 40 FEAB COCCN1CCN(Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1=O 91840358 CVFUARMRWRSDNN-UHFFFAOYSA-N 358.442 2.151 0 40 FEAB O=C(NC[C@@H](O)c1cccc(F)c1)c1nc(N2CCCC2)ncc1Cl 70833725 LJTNXISSYJYPPA-CQSZACIVSA-N 364.808 2.333 0 40 FEAB CCOc1ccc(-n2nnc(C(=O)NCc3ccccc3OC)c2N)cc1 8990689 KMWDDHBVJCFNOL-UHFFFAOYSA-N 367.409 2.187 0 40 FEAB COc1ncccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 306125270 CKXBHZJAIBXWOG-GVDBMIGSSA-N 373.478 2.029 0 40 FEAB CCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 409139397 APFAXRBQYWRFNM-UHFFFAOYSA-N 362.451 2.417 0 40 FEAB CCc1nc(N)c2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 408712797 RZQHPSMZAYRGHC-JTQLQIEISA-N 357.410 2.560 0 40 FEAB Cc1cccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)n1 72396683 FZKMWYMIZMBGPV-LBPRGKRZSA-N 352.485 2.025 0 40 FEAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 34803729 KBMAKKMTPFZUEU-ZOBUZTSGSA-N 360.454 2.351 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218592998 JJIKVSIYIUJRRX-IJEWVQPXSA-N 351.811 2.062 0 40 FEAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 72360347 QQSSTKQNOGQXOS-INIZCTEOSA-N 350.430 2.389 0 40 FEAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 49864434 MQTJERYBNPEHKQ-OAHLLOKOSA-N 370.405 2.372 0 40 FEAB COc1ccccc1CCNC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 40038936 DEDXFLMQWBOABL-HOTGVXAUSA-N 363.502 2.425 0 40 FEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC(C)C)s1 225650562 VYVZBXQCEHYNTQ-UHFFFAOYSA-N 368.484 2.423 0 40 FEAB Cc1ccc(NC(=S)NCCN2CCCC2=O)cc1N1CCCC1=O 225812676 BZYHPZPGACWPAH-UHFFFAOYSA-N 360.483 2.031 0 40 FEAB C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]1CO 190537798 QFEMXDKKMKVSGJ-LBTNJELSSA-N 367.440 2.342 0 40 FEAB O=C(CCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccccc21 96230993 WUVDVHJXFCZDLK-MRXNPFEDSA-N 363.421 2.272 0 40 FEAB O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159166 UJWDMEMUCCQAJE-UHFFFAOYSA-N 357.435 2.181 0 40 FEAB CC(=O)N1CCC(NC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)CC1 96269399 PGBVEWGDBHSAFM-IBGZPJMESA-N 368.481 2.358 0 40 FEAB biogenic,in-vitro Cc1cccc(CN2CC[C@]3(c4ccccc4)CN(CCO)C[C@@H]3C2)n1 96251791 FMBJSWHIPNBKLB-RBBKRZOGSA-N 351.494 2.458 0 40 FEAB COc1cc(N2CCOC[C@@H]2c2nccc(NC3CCCC3)n2)ncn1 96220592 HTAPHCATSVMBPS-CQSZACIVSA-N 356.430 2.208 0 40 FEAB Cc1nccc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257213643 CIMBQBGXCOQQDS-QGZVFWFLSA-N 351.410 2.194 0 40 FEAB CCOc1ncccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 585138589 JNEFDFIIAURTHO-INIZCTEOSA-N 367.413 2.117 0 40 FEAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252515622 MFRGDFDKSSEPGS-UXLLHSPISA-N 355.525 2.459 0 40 FEAB O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1cccc2c1OCCO2 257328548 XGDQDOBWZWVLKQ-MRXNPFEDSA-N 355.394 2.419 0 40 FEAB CCCc1nn(C)c(C(N)=O)c1NC(=O)Cc1ccc(N(CC)CC)cc1 601014582 ZYGJSURFEMUVDI-UHFFFAOYSA-N 371.485 2.499 0 40 FEAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cnc(C)nc2C2CC2)C1 626552193 KNBCSFUGPUFCOU-YQQAZPJKSA-N 359.474 2.426 0 40 FEAB Cc1noc([C@H]2CN(Cc3ccccc3N3CCOCC3)C[C@@H](C)O2)n1 628444808 YBPHIVXXUXLLBB-RDTXWAMCSA-N 358.442 2.177 0 40 FEAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nnc(O)o2)C1 670384188 HKMNKUSQBIJBKW-HOCLYGCPSA-N 373.409 2.353 0 40 FEAB COc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 57411590 GQVPNQYJOFADSZ-UHFFFAOYSA-N 353.422 2.092 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)ccc21 105762678 PIVGQEHQPNRFEU-PWNZVWSESA-N 355.438 2.264 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 5007148 RDHSGYGWVJJQLA-HDMKZQKVSA-N 350.484 2.190 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)cc1 11514980 NOZZEUKQMFGTGU-UHFFFAOYSA-N 360.454 2.497 0 40 FEAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(=O)n(C)c1)CC1(CCOCC1)O2 12087051 MIOXLDIZIYFYJX-QGZVFWFLSA-N 368.433 2.497 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 16551891 VOVHWLBMZMAQOB-UHFFFAOYSA-N 373.394 2.339 0 40 FEAB O=C(Cc1cccc(F)c1)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19293752 IKTGTWSNPOLNKK-OAHLLOKOSA-N 367.428 2.006 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)c3cn4cccc(C)c4n3)CC2=O)cc1 19718804 QAGNJZKRMKLXDB-AWEZNQCLSA-N 364.405 2.187 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncs1 7194980 PERXJVNSVPVZLQ-UHFFFAOYSA-N 356.860 2.381 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)s1 1888879157 ZLDWDLPGTFRGSG-OKILXGFUSA-N 368.466 2.011 0 40 FEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888896993 WKHMJOKXYSOZTI-UHFFFAOYSA-N 371.420 2.205 0 40 FEAB CN(C)c1ccc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)nn1 1888897260 FYKNJQAMOPCLOA-UHFFFAOYSA-N 352.364 2.283 0 40 FEAB FC(F)(F)c1nnc2ccc(N3CC(Cn4cc(Cl)cn4)C3)nn12 1889136135 UDHBHUZSHYGXAY-UHFFFAOYSA-N 357.727 2.129 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccccn3)CC2=O)cc1OC 4272711 FXUKBGCZZQBUKJ-LBPRGKRZSA-N 356.382 2.026 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C 9035380 NKVHOPKEHCQVCG-HNNXBMFYSA-N 374.462 2.335 0 40 FEAB COC(=O)c1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1 12080598 BOWBZBFBWVQTPE-VHEBQXMUSA-N 370.386 2.496 0 40 FEAB Brc1cc2c(cc1Cn1nnc(-c3cccnc3)n1)OCO2 12374845 SEBBQMRGNCPNBB-UHFFFAOYSA-N 360.171 2.275 0 40 FEAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 13697039 DCWZEVNBDXPITK-UHFFFAOYSA-N 374.418 2.168 0 40 FEAB Cc1nnc2ccc(N3CC(N(C)Cc4csc(C5CC5)n4)C3)nn12 585607212 OIIUYRHEWNLCGE-UHFFFAOYSA-N 355.471 2.087 0 40 FEAB CSc1ncc(Br)c(N2CCC(NC(=O)C3CC3)CC2)n1 2298175118 XLTZDCCOONEWDW-UHFFFAOYSA-N 371.304 2.456 0 40 FEAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)NCc1ccc(Cl)cc1 62021501 FPCFKFVBVJTDQK-HXUWFJFHSA-N 374.868 2.456 0 40 FEAB Cc1occc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24388759 RMRYAGRXEUYHBE-UHFFFAOYSA-N 366.414 2.264 0 40 FEAB COc1ccc(CNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1 40267510 HWUZWFAKLIYEFP-UHFFFAOYSA-N 355.423 2.151 0 40 FEAB O=C(NCCSC1CCCC1)c1ccc(S(=O)(=O)NC2CC2)o1 31236401 CXRVAKDEHDFGTQ-UHFFFAOYSA-N 358.485 2.126 0 40 FEAB CC(C)(C)OC(=O)N1CCn2cc(I)cc2C1=O 1857794520 UPEWCTKYYZGSLS-UHFFFAOYSA-N 362.167 2.484 0 40 FEAB CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(OC)c(OC)c1 71283213 OCTAOLCWMXWNQD-CYBMUJFWSA-N 373.409 2.246 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 800665 QOEUUJWOTAVEML-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 1009617 SRSPWPGBMOKVEY-UHFFFAOYSA-N 364.379 2.437 0 40 FEAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 25287016 LSQYUFNJYDGTHV-INIZCTEOSA-N 358.438 2.210 0 40 FEAB COc1ccc(CCN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 25285160 FBUPFNDYMPISHA-IYBDPMFKSA-N 358.438 2.087 0 40 FEAB CC(C)CCOc1cccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 4400471 VFBDQYREIOYJSJ-OAHLLOKOSA-N 369.483 2.136 0 40 FEAB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)ccc1OC 6630759 OSFAVJGQTNYGIP-NTEUORMPSA-N 367.361 2.155 0 40 FEAB Cc1cnc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cn1 43837859 LVWUCECOLPVIPN-KRWDZBQOSA-N 360.845 2.242 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 57023977 OINBWXRDGDGXCX-UHFFFAOYSA-N 368.455 2.470 0 40 FEAB CCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 8475736 ZKJFKZNXAHOYCO-UHFFFAOYSA-N 354.472 2.446 0 40 FEAB O=C(NCCN1CCOCC1)c1cc(O)c2c(Cl)cc(Cl)cc2n1 27715059 OKOXGRNGIRKJSF-UHFFFAOYSA-N 370.236 2.309 0 40 FEAB CCc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)n1 58265141 AORYUUKGZQQETE-CQSZACIVSA-N 356.426 2.260 0 40 FEAB Cc1nc(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)sc1C 58378111 AEVWVOQMNJQALH-AWEZNQCLSA-N 365.480 2.085 0 40 FEAB CC(C)c1nnc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)s1 28972011 IWTVJAQLFTZQAR-UHFFFAOYSA-N 372.410 2.266 0 40 FEAB CCCn1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1=O 11781879 REZZYJSTDHHQMK-UHFFFAOYSA-N 360.845 2.269 0 40 FEAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CC1 46027485 AAKYKRGOTZSYPD-UHFFFAOYSA-N 373.478 2.075 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccccc2C)c1 29677903 XXAIJAYLGNOLBW-UHFFFAOYSA-N 374.462 2.182 0 40 FEAB Cn1c2ccccc2c2cc(C(=O)OCC(=O)N3CCOCC3)sc21 2627908 FIPPBRDWQUNYIE-UHFFFAOYSA-N 358.419 2.409 0 40 FEAB COc1ccc(OC)c(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 12690267 XMLBKDHSYYSJFG-HZPDHXFCSA-N 373.405 2.088 0 40 FEAB O=C(O[C@@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3301357 UZUZGRSGDMYWNN-MRXNPFEDSA-N 351.424 2.140 0 40 FEAB CCc1cccc(C)c1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 3542253 BFKZBGCGDDTIFY-UHFFFAOYSA-N 367.409 2.407 0 40 FEAB C[C@@H](C(=O)O)n1c(S[C@H]2CCCCNC2=O)nnc1-c1cccs1 12936227 ZBXLYMHNVBXORS-ONGXEEELSA-N 366.468 2.413 0 40 FEAB COC(=O)[C@H]1CN(C(=O)COc2ccc(OC)cc2)c2ccccc2O1 9314554 ZCDRIMXEGDXGKV-QGZVFWFLSA-N 357.362 2.041 0 40 FEAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 5354384 ZXJGJPVYKIJGHB-CQSZACIVSA-N 350.440 2.204 0 40 FEAB CC(=O)c1ccccc1NC(=O)CN(CCC(N)=O)Cc1ccccc1 9337073 BRFXHVLFYUNFCF-UHFFFAOYSA-N 353.422 2.205 0 40 FEAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCC(N)=O 14244269 APXWKUCHNQQLCP-LBPRGKRZSA-N 358.394 2.059 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)c(F)c1 7248104 BNIQJJALGRVNTE-NSHDSACASA-N 355.362 2.425 0 40 FEAB COc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1F 7441352 DBVNTTYBTVJDNM-UHFFFAOYSA-N 370.336 2.008 0 40 FEAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H](O)c1ccccc1C(F)(F)F 69172368 VLHXFFMZKWVNEK-CQSZACIVSA-N 350.296 2.442 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H](CN2CCOCC2)C1 70057581 SJKLFBCQYRXAEG-QGZVFWFLSA-N 370.497 2.464 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC(C)(C)C)CC2)cc1 8877259 GFWABDJFYPWZAQ-UHFFFAOYSA-N 370.540 2.360 0 40 FEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H]1c1cccn1C 8923083 MRUQWLWBGRMFAJ-AZUAARDMSA-N 353.466 2.479 0 40 FEAB C[C@H]1CN(c2cnn(C)c(=O)c2Cl)[C@H](C)CN1C(=O)OC(C)(C)C 92944811 DPZVPHYFTCOGAG-MNOVXSKESA-N 356.854 2.268 0 40 FEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)C1 84370562 DHIJXGMRXVKRMV-HNNXBMFYSA-N 373.497 2.267 0 40 FEAB Cc1ncc(CNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c(N)n1 556841801 MBRVAMSKFSLERD-UHFFFAOYSA-N 362.437 2.425 0 40 FEAB O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(Cl)cc1 62006708 KMHDIZHFGNWRML-UHFFFAOYSA-N 371.759 2.475 0 40 FEAB O=C1C[C@@H](c2cccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c2)CN1 533399027 XTNQAUCGQIOLMZ-WBMJQRKESA-N 367.380 2.494 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35876649 CWQLKWUYLMVUJI-ZOCIIQOWSA-N 369.465 2.141 0 40 FEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc(F)c2)C1(CO)CO 218551237 NVHUUZYOMJIOAM-JKSUJKDBSA-N 370.829 2.390 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1 72846742 SINAYOJMBQPJSR-CQSZACIVSA-N 362.451 2.069 0 40 FEAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 225375087 DEFQRTHRGPUXDJ-ZCWPUFOUSA-N 370.405 2.354 0 40 FEAB Cc1ccsc1-c1nc(=NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)s[nH]1 569074273 RMEPPAFNYSLJOG-DDHJBXDOSA-N 360.464 2.414 0 40 FEAB Cc1onc(CO)c1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 573456664 MBXHYEHWNISIDF-UHFFFAOYSA-N 367.409 2.280 0 40 FEAB CCSc1nnc(NS(=O)(=O)c2cccc(C(=O)OC)c2)s1 224865488 VSTCHLMJNGCAKI-UHFFFAOYSA-N 359.454 2.238 0 40 FEAB COc1cccc(C2=NC(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)N2)c1 95483727 PVTDQARXMMVMFQ-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCCCCO 96014666 AZIGEYVZEVXWAD-HZPXZLRISA-N 368.470 2.224 0 40 FEAB Cc1ccoc1C(=O)N1CC[C@H](N(C)Cc2cccnc2)C[C@H]1C(=O)O 96198759 BYPZVGBUHBPZEP-HOTGVXAUSA-N 357.410 2.173 0 40 FEAB CCOCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257315588 VCBOEYQNIGLLNF-KRWDZBQOSA-N 350.434 2.449 0 40 FEAB Cn1cnc(C(=O)N2[C@@H](c3ccccc3)C[C@@]3(C)[C@H](O)[C@H](O)CCC[C@@H]23)c1 257219443 DGTXZXQRYOGBGC-DRJBRKBZSA-N 369.465 2.288 0 40 FEAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@]2(O)C[C@H]2C1 618748345 OAVOAHMUTRHILA-MEDUHNTESA-N 362.227 2.436 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 1123672178 RVKYVIJRQCEIMY-ZBFHGGJFSA-N 372.421 2.117 0 40 FEAB CS(=O)(=O)c1ccc2ncnc(N3CC4(CCOCC4)[C@H]3C3CC3)c2c1 645058010 IELIDQJJYIHURR-QGZVFWFLSA-N 373.478 2.429 0 40 FEAB O=C(O)COc1ccc(NC(=O)[C@H]2CCc3ncncc3C2)cc1Cl 649246247 YNEMMQZBCRPJDR-JTQLQIEISA-N 361.785 2.337 0 40 FEAB CCN1CC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CC(F)(F)C2)C1=O 585093352 QQROXNMXEWFASA-MRXNPFEDSA-N 353.369 2.272 0 40 FEAB Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)CCC2 585123262 NZUMMYKTOCCGEU-ZACQAIPSSA-N 355.442 2.293 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccncc3)CC2)c(C)c1 54450391 HCAVTKYHUOCXMX-UHFFFAOYSA-N 374.466 2.237 0 40 FEAB O=C(O)c1cc(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)ccc1O 633138218 FLGOMAPHQQGRNF-QGZVFWFLSA-N 374.368 2.242 0 40 FEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 11175184 WCZKOIXPWHNIQM-UHFFFAOYSA-N 362.363 2.099 0 40 FEAB COc1ccc(CCNS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 13087393 UASKQAYXDQUMEA-UHFFFAOYSA-N 363.435 2.233 0 40 FEAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cn(C)nc2C)n1 19573785 QYXGNYIWARSJNR-GOSISDBHSA-N 357.458 2.198 0 40 FEAB CN1C[C@@H](C(=O)NCc2ccccc2)[C@@]2(COc3ccc(F)cc3C2=O)C1 19590829 GKDNNLWXPBLVOY-UWJYYQICSA-N 368.408 2.265 0 40 FEAB CNc1cc(CNC(=O)Cc2cccc(OC)c2)nc(-c2ccncc2)n1 19592326 CSCDGHXLQBHGEJ-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1COc2ccccc2C1 12165432 PRLCLAKPAKLIBF-CQSZACIVSA-N 372.446 2.317 0 40 FEAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 1565541754 UCCIZKNUOFJJNK-UGKGYDQZSA-N 364.445 2.049 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4cc[nH]c4)C[C@@H]32)CC1 1565545852 MVQNERJTCLATHX-DOTOQJQBSA-N 351.454 2.453 0 40 FEAB CC[C@H](C)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007605 HLQRSUHLWDLRSA-AWEZNQCLSA-N 355.438 2.361 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccc(F)c(F)c1 51259928 PKTNNZHVCFNMDU-KXBFYZLASA-N 374.343 2.228 0 40 FEAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Br 101626048 KAGUJKLJYYBMKS-SDDRHHMPSA-N 374.242 2.367 0 40 FEAB COc1ccccc1CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707257 KNSSAEFSMUQURO-UHFFFAOYSA-N 368.433 2.278 0 40 FEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Cl)ccn2)cc1 23013155 BFIKQTUKAYXWPI-UHFFFAOYSA-N 374.828 2.258 0 40 FEAB O=C1c2ccccc2C(=O)N1n1cnc2sc3c(c2c1=O)CCCC3 937102 XTJYFFQVOPEQCI-UHFFFAOYSA-N 351.387 2.269 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccccc3C)s2)cc1 105630337 KDTMSMOTLHWKFU-ZAORYEFMSA-N 351.427 2.246 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1 71288558 NOTODOMATRSAND-HZPDHXFCSA-N 359.426 2.016 0 40 FEAB c1ccc(-n2nnnc2N2CCN(Cc3nc4ccccc4o3)CC2)cc1 26203015 PZNFDFRUDXGTIV-UHFFFAOYSA-N 361.409 2.126 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1N1CCCC1=O 22524255 RIVQBYGHCUQFGP-UHFFFAOYSA-N 360.435 2.301 0 40 FEAB CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3cc(Cl)ccc3C(=O)N2C1 8297895 DIYUJGPVFYGOTO-FZMZJTMJSA-N 363.845 2.428 0 40 FEAB biogenic,in-vitro O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 8570027 GWTWKJGMTNILML-MELADBBJSA-N 371.359 2.313 0 40 FEAB COC(=O)[C@](NC(=O)CC(C)C)(Nc1ncc(C)s1)C(F)(F)F 2050500 FRVSJFDOWKLHBC-LBPRGKRZSA-N 353.366 2.457 0 40 FEAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccco1 58180808 RDOONYOUTKUCDA-SJORKVTESA-N 371.485 2.485 0 40 FEAB O=C(Cn1cc(-c2nnco2)ccc1=O)N[C@H]1CCCc2ccccc21 58167652 DVNFSMDQLZDLBH-INIZCTEOSA-N 350.378 2.092 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cn1C 58246661 DDZKPUONTJOSFL-UHFFFAOYSA-N 367.858 2.180 0 40 FEAB O=C(COc1ccccc1)NCCN(C(=O)COc1ccccc1)C1CC1 58291275 ODHVTBVYDUAOFA-UHFFFAOYSA-N 368.433 2.252 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)C1 28084055 HOOYRFRADPXGPN-CJNGLKHVSA-N 366.462 2.215 0 40 FEAB CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 58402002 DPPYPBDCECGQPQ-UHFFFAOYSA-N 362.407 2.477 0 40 FEAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCO)c(=N)c21 101365008 YVBIHQQMJQMFRA-QGZVFWFLSA-N 365.389 2.355 0 40 FEAB CCn1cc(CN(C)S(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)n1 36615068 TVXLTTZBPWDWIT-UHFFFAOYSA-N 361.418 2.241 0 40 FEAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccccc2F)[C@@H]2CCO[C@H]12 108527942 XGIGBFTYBVJWIQ-QXAKKESOSA-N 355.413 2.126 0 40 FEAB COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1OC 2650053 GRIZDQZGAQSLSD-UHFFFAOYSA-N 355.346 2.157 0 40 FEAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 101061859 WSEBHFKFUDUPGM-UJWMZTGESA-N 366.417 2.077 0 40 FEAB CS(=O)(=O)N1CCCc2cc(C(=O)Nn3cnc4ccccc43)ccc21 12747774 UAQKOZAGTHILFU-UHFFFAOYSA-N 370.434 2.132 0 40 FEAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 12757007 LJLKHHCENIIAQY-LBPRGKRZSA-N 355.369 2.096 0 40 FEAB CCCCc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)no1 48375490 KSCCZCPWZVKUME-UHFFFAOYSA-N 358.442 2.459 0 40 FEAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 12846892 ARBYABFJCHAFRV-SNVBAGLBSA-N 352.350 2.332 0 40 FEAB C[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 102239153 IIXZMSBXPZPYQB-OBCHRRPZSA-N 364.445 2.305 0 40 FEAB C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NCc1ccc2c(c1)OCO2 3400117 VJWZVBWUTKQHOP-ZDUSSCGKSA-N 370.405 2.343 0 40 FEAB C[C@@]1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1(Cl)Cl 3413889 LVKAENKRGFKSDI-AWEZNQCLSA-N 359.209 2.140 0 40 FEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)n1 48403619 ZXUDRXVAUCQNFF-BBRMVZONSA-N 358.442 2.150 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2O)cc1 3533172 YCKOHECDKXQTBU-UHFFFAOYSA-N 358.379 2.057 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccccc1 3594992 KNQVOYSNLCDMMA-NRFANRHFSA-N 363.417 2.433 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(Cl)cc1C(C)=O 13039068 XIMNBGUAWHTIOH-UHFFFAOYSA-N 354.834 2.295 0 40 FEAB COc1cc2[nH]nnc2cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 96012451 PIWUFXAVNOEPNQ-JTQLQIEISA-N 373.363 2.253 0 40 FEAB Cc1cc(C(=O)NCC(=O)NC(C)(C)C)c2nc3n(c2n1)CCCCC3 39554744 KRZRCRBQYAENCD-UHFFFAOYSA-N 357.458 2.111 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2F)no1 6260646 MUEQCYAJYDNONE-LLVKDONJSA-N 351.403 2.499 0 40 FEAB COC(=O)c1cn(-c2cccc(Br)c2)c(C(=O)OC)c1N 65336660 PLVQQTFMXLGJOR-UHFFFAOYSA-N 353.172 2.395 0 40 FEAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9313938 UPOXYWPIKFKGMH-MGPUTAFESA-N 357.454 2.331 0 40 FEAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)NC(N)=O 4601924 COLVZVMERMJMRI-LLVKDONJSA-N 355.394 2.244 0 40 FEAB O=S1(=O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 6719309 JGYQYBHOWKHPDR-PSASIEDQSA-N 370.805 2.219 0 40 FEAB CCc1ccc(-n2c(=O)[nH]c3sc(C(=O)N(C)C)c(C)c3c2=O)cc1 67334653 AUXSHPUQGYWNPP-UHFFFAOYSA-N 357.435 2.313 0 40 FEAB Cc1nnc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1C1CC1 7533685 DSWSIUPPTOYWKW-UHFFFAOYSA-N 374.466 2.443 0 40 FEAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCCC1 9604353 VOMSAIBJPRMXPZ-JXMROGBWSA-N 360.435 2.394 0 40 FEAB CCN1C(=O)C[C@H](N2CCC(CCc3ccc(OC)c(OC)c3)CC2)C1=O 18217926 RUOAPPDBLRATTI-KRWDZBQOSA-N 374.481 2.496 0 40 FEAB CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 18543943 QNJIHKFNRINZON-CHWSQXEVSA-N 357.497 2.211 0 40 FEAB Cc1cccc(CS(=O)(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)c1 84210727 CSRWFRWCJHZWEZ-CALCHBBNSA-N 354.516 2.304 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCCO)c1ccc(Cl)cc1 97176650 UXIODCXNDGBZEU-QGZVFWFLSA-N 360.841 2.180 0 40 FEAB O=C(NCC1(O)CCOCC1)c1cccc(NC(=O)C2CCCCC2)c1 72304474 ZUIZIIYXMQHXAP-UHFFFAOYSA-N 360.454 2.477 0 40 FEAB O=C1CC[C@@H](C(=O)OCc2nn(-c3ccc(F)cc3)c3c2CCC3)CN1 84421946 APCAALJWABSSDP-GFCCVEGCSA-N 357.385 2.070 0 40 FEAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89573859 UKBVRZMVHKMLKK-LATSOQNDSA-N 374.504 2.396 0 40 FEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 89904970 XNXSHPKKCTUHII-GOEBONIOSA-N 350.426 2.246 0 40 FEAB C[C@H]1CN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@H](C)O1 36067640 XUFNUSDPUIGUQX-KKUMJFAQSA-N 373.449 2.131 0 40 FEAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2nc(-c3ccco3)oc2C)C1 1553722187 SKKBGUGAEGNJNL-TZMCWYRMSA-N 356.382 2.497 0 40 FEAB Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 79438661 LDBYOVLWFZJNQL-NSHDSACASA-N 354.428 2.203 0 40 FEAB CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)n(C)n1 71195664 LRQPBFNBRQOOBG-HNNXBMFYSA-N 350.426 2.371 0 40 FEAB CCCOc1ccc(Br)cc1S(=O)(=O)N1CCOCC1 31903912 FBRDKEUCOPNNRM-UHFFFAOYSA-N 364.261 2.259 0 40 FEAB CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(F)cc3[nH]cnc23)CC1 182089672 BAOYEJODEZJDGE-UHFFFAOYSA-N 361.421 2.404 0 40 FEAB CC(C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217654167 IQXGMTQHGPYBIB-CYBMUJFWSA-N 370.471 2.300 0 40 FEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCCCC2)cc1 224237527 RDCMFALZBNGXKJ-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F 40016060 DOPPDSCZTUNZJJ-LLVKDONJSA-N 351.403 2.034 0 40 FEAB COc1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)cc1 85436055 AXXBEHAEUNOPNO-GOSISDBHSA-N 365.433 2.457 0 40 FEAB biogenic,in-vitro CNC(=O)Cc1csc(NC(=O)c2ccc(OCC(=O)C3CC3)cc2)n1 49027503 VPETUXJRYZFVJC-UHFFFAOYSA-N 373.434 2.042 0 40 FEAB COc1ccc(C[C@@](C)(O)CNC(=O)c2c(C)nc3ccccn23)cc1 77178749 FCGGPSGAMCVWRK-HXUWFJFHSA-N 353.422 2.375 0 40 FEAB Cc1occc1C(=O)N1CCO[C@@]2(CCCN(Cc3ccccn3)C2)C1 96074952 JSFKSFBRUFRJTR-HXUWFJFHSA-N 355.438 2.490 0 40 FEAB CC(C)c1cc(NC(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)n(-c2ncccn2)n1 333389025 LRNYKQOAHLMZDR-KKUMJFAQSA-N 370.457 2.410 0 40 FEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CC(C)(C)C)Oc2ccccc21 96111740 JKCZVPAQIPRVAC-HOCLYGCPSA-N 360.454 2.464 0 40 FEAB biogenic,in-vitro Cc1ccc(CN2CCO[C@@]3(COCCN(Cc4ccncc4)C3)C2)o1 96049833 KKHDHXGDNYCBEF-HXUWFJFHSA-N 357.454 2.086 0 40 FEAB CN(C)S(=O)(=O)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110608 RCJOSBFJRJTZNL-ROUUACIJSA-N 352.500 2.153 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)CCc2ccccc2C(=O)O)c2ccccc2O1 1598809571 IFOZOSYDCCRJHB-KRWDZBQOSA-N 369.373 2.285 0 40 FEAB Cc1cccc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)n1 257235898 GZZYUJHERKJNTI-OAQYLSRUSA-N 351.450 2.025 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCc2cccs2)n1 257212230 CCLGUEMYUGXNSJ-KRWDZBQOSA-N 358.467 2.471 0 40 FEAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1 257301021 RWPBQPISLHWHAW-MRXNPFEDSA-N 355.442 2.276 0 40 FEAB Cc1ccc(C[C@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 257220046 DJHCQEKPPJACTC-QGZVFWFLSA-N 351.516 2.069 0 40 FEAB CN(C)C(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257320437 VWVDZQZQIRRRJZ-IBGZPJMESA-N 368.433 2.341 0 40 FEAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 257229034 FWKLUAJKHPNHTF-INIZCTEOSA-N 353.426 2.138 0 40 FEAB CN(c1ccn(C)n1)S(=O)(=O)c1cc(C(=O)O)sc1C(C)(C)C 282232254 PDQIJXYMRVGCKD-UHFFFAOYSA-N 357.457 2.302 0 40 FEAB O=S(=O)(Nc1nc2ncccn2n1)c1ccc2c(c1)Cc1ccccc1-2 603629150 DVJRRJINUDALFQ-UHFFFAOYSA-N 363.402 2.496 0 40 FEAB C[C@H]1NC(=O)N(CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1=O 656546881 DEQSMEPLCWCXOJ-GFCCVEGCSA-N 358.417 2.427 0 40 FEAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 666241981 ZACUNPFSEDOZHK-IUODEOHRSA-N 360.389 2.247 0 40 FEAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccnc(C2CC2)c1 679954874 SMJKSRRAZSNEGB-UHFFFAOYSA-N 370.453 2.334 0 40 FEAB CC(C)(C(=O)N1CCN(c2nc3ccccc3s2)CC1)n1cc(N)cn1 662661161 LMUWAFADYJDHQV-UHFFFAOYSA-N 370.482 2.159 0 40 FEAB CO[C@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1ccc(C)cc1 585291946 UBCVUJJIPYDFAY-IEOLRMJASA-N 372.509 2.289 0 40 FEAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Cc2ccccc2)CC1 85472761 CBYBAYZTLAOWRQ-IBGZPJMESA-N 370.493 2.495 0 40 FEAB Cc1cc(N2CCOCC2)nc(SCC(=O)NCCc2ccccc2)n1 5537619 YVOLPNWXPKPXBE-UHFFFAOYSA-N 372.494 2.073 0 40 FEAB CCCn1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)c1C 12089267 QLUVGQYWIZSVRZ-FQEVSTJZSA-N 367.453 2.389 0 40 FEAB CC(C)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182241 FPKHIZKIJPODKG-HNNXBMFYSA-N 369.421 2.286 0 40 FEAB COc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3ccccc32)c1 12182991 SYHNHPIBFYDAFG-UHFFFAOYSA-N 364.405 2.014 0 40 FEAB O=C(NCCC1=CCCCC1)c1nnc2n(c1=O)CCN2c1ccccc1 12233529 HGZGLCOWNRIOKG-UHFFFAOYSA-N 365.437 2.410 0 40 FEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@@H]1CCOc2ccccc21 13420399 FTLWLWDHGYUUOJ-CQSZACIVSA-N 357.362 2.412 0 40 FEAB Cc1cc(C(=O)NCCCN2CCCCCC2)ccc1NS(C)(=O)=O 13674875 ZJNCBIHLLOPIME-UHFFFAOYSA-N 367.515 2.362 0 40 FEAB COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16576545 ALPLMKZWADJIRT-OAHLLOKOSA-N 368.499 2.161 0 40 FEAB O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC(=O)N(Cc2ccccn2)C1 19401454 MMVMNHOPSAGBHG-QGZVFWFLSA-N 365.433 2.072 0 40 FEAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1OCc1ccccn1 19575955 GWESWVVAKDTQOU-PWIZWCRZSA-N 353.466 2.300 0 40 FEAB Cc1ncsc1C(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1 19709884 UKMYFODLBONFMQ-CQSZACIVSA-N 374.514 2.394 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298823 MWCFMOFLAHNINA-CQSZACIVSA-N 350.465 2.218 0 40 FEAB CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 6579038 DNOPGPHRHDPHQG-UHFFFAOYSA-N 362.854 2.406 0 40 FEAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 9704097 VZTSZGVLJKWREG-UHFFFAOYSA-N 359.455 2.073 0 40 FEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(OC)c2)nn1 1888864055 CSRXSYVOINPGHC-SJPCQFCGSA-N 356.426 2.441 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(c4nc(C)ns4)CC3)cnc2c1 1889151748 SIWOJUASCQCSOE-UHFFFAOYSA-N 371.466 2.482 0 40 FEAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1nnc2ccccn12 25065419 SFFPOVVIAYNMTR-QGZVFWFLSA-N 366.425 2.192 0 40 FEAB Cc1cc(O[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)n1C 238848820 IZAOONUPFIHSIR-AWEZNQCLSA-N 371.393 2.108 0 40 FEAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)s1 239611947 FGAKDAIQJXWUOB-CYBMUJFWSA-N 369.464 2.094 0 40 FEAB Cn1nc(-c2cnccn2)cc1CNC(=O)CSc1ccc(F)cc1 245174521 YQRZSTSPTNWUCJ-UHFFFAOYSA-N 357.414 2.425 0 40 FEAB O=C(N1CCN2CCc3c(ncn3Cc3cccc(F)c3)[C@H]2C1)C1(F)CC1 1614933426 DPUDWEAPFQFPDM-QGZVFWFLSA-N 372.419 2.314 0 40 FEAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)/C=C/c3cccs3)CC2)C1 1565544499 MHYCUNGWZXHZSY-AATRIKPKSA-N 359.451 2.177 0 40 FEAB CC1CCC(C(=O)N2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)CC1 1565549314 UWPSLTFPOJSKAK-MKQGEQSTSA-N 361.486 2.344 0 40 FEAB COc1ccc(C(=O)N(CN2CCCC2=O)c2cc(C)on2)cc1OC 4035730 SLITXXLDFMORNQ-UHFFFAOYSA-N 359.382 2.227 0 40 FEAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846607 QZMUDCCIVQQAIL-UHFFFAOYSA-N 372.446 2.268 0 40 FEAB COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1OC 207963765 UWUVQEOXBPIORT-ZDUSSCGKSA-N 371.842 2.369 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 40073632 YSEPSDVGHVWAJI-HUUCEWRRSA-N 351.516 2.362 0 40 FEAB Cc1cccc(OCCNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c1 102180574 KVMVGNJYMYNESI-UHFFFAOYSA-N 369.446 2.339 0 40 FEAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc1OC 42255499 PXASVPJJWXETCB-UHFFFAOYSA-N 357.334 2.101 0 40 FEAB NC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 22931860 URCMTAFDJCTDKO-UHFFFAOYSA-N 351.450 2.038 0 40 FEAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 805375 SNRPCELEJVOXCY-UHFFFAOYSA-N 362.451 2.215 0 40 FEAB CCN(CC)[C@H](CNC(=O)CNC(=O)c1ccccc1)Cc1ccccc1 23197522 UNIGNDDPSNVEMT-FQEVSTJZSA-N 367.493 2.486 0 40 FEAB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 941602 VEWLOHQLVSVDKY-ZDUSSCGKSA-N 366.373 2.161 0 40 FEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)c[nH]2)CC1 24029988 ITQXIRKTUXCWSW-UHFFFAOYSA-N 358.236 2.470 0 40 FEAB CC(=O)Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 24166692 WDPQRSUBTQUDKA-UHFFFAOYSA-N 374.466 2.148 0 40 FEAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1NC(=O)c2ccncc2N1 78786286 NULUOAYOJRJDCS-KRWDZBQOSA-N 363.377 2.298 0 40 FEAB CN([C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O 95416653 JFJVQXPHDLKODV-JKSUJKDBSA-N 355.404 2.356 0 40 FEAB O=C(N[C@@H]1CCC[C@@H]1CO)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 79096718 RYZCJWPAZOOCMB-KURKYZTESA-N 368.433 2.124 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1C 6826022 FOKAAQILQWGRSI-HNNXBMFYSA-N 368.499 2.177 0 40 FEAB O=C(Nc1ccc(Br)cc1F)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101458925 QPIDHXUXYDMZMB-YFKTTZPYSA-N 358.163 2.405 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)cc1 100395292 VGLRCBKEWISIEM-MJJLTSLDSA-N 350.418 2.359 0 40 FEAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1C(C)C 20802007 AIAVIKCJSKISMQ-HZPDHXFCSA-N 359.426 2.406 0 40 FEAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c12 2112953 YDLMELFXYPSBPD-RYUDHWBXSA-N 361.394 2.411 0 40 FEAB biogenic COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)ccc1O 95473974 DOFAEXBFSKUAHI-LBPRGKRZSA-N 359.382 2.366 0 40 FEAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426211 AOFOZQPIVMARAT-UHFFFAOYSA-N 369.512 2.359 0 40 FEAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccco3)nc21 36617230 YPJOVCCWHVHRRZ-UHFFFAOYSA-N 361.379 2.449 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1OC 11750564 MALZZVSAXQWPLT-UHFFFAOYSA-N 374.462 2.065 0 40 FEAB CN(C(=O)CCc1ncc(-c2ccccc2F)o1)[C@H]1CCS(=O)(=O)C1 48287233 OMOCWIALNKRERU-LBPRGKRZSA-N 366.414 2.059 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)N2CCSc3ccc(Cl)cc32)CC1 48324481 SZSWUTSYRCJDEX-UHFFFAOYSA-N 374.915 2.450 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)cc1Cl 12808231 KOEJECAJQRGTCV-GFCCVEGCSA-N 365.861 2.230 0 40 FEAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 3420690 BYVHXLPPRYJCDG-UHFFFAOYSA-N 362.842 2.480 0 40 FEAB COc1ccc(C(C)=O)cc1COC(=O)c1nc2nc(C)cc(C)n2n1 3542231 BZGJYOHWVDBBPH-UHFFFAOYSA-N 354.366 2.309 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1Br 71328452 KGAVKSKNWZQPLZ-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB COCc1nc([C@@H]2COCCN2C(=O)/C=C/c2ccc(Cl)cc2)no1 96001023 LGTOZHCVFMDFRI-GBXSZLQWSA-N 363.801 2.483 0 40 FEAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1Cl 65567895 WEXMJTRBAOJSJD-CQSZACIVSA-N 374.915 2.333 0 40 FEAB CC(=O)c1cccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 14168163 BCNLOUZAXCBYLN-UHFFFAOYSA-N 374.481 2.419 0 40 FEAB COc1cccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[nH]2)c1OC 4600454 UHGMBJTXQFBWSG-HNNXBMFYSA-N 367.409 2.490 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCCC1 14850574 QHORGEUTVCLAFI-UHFFFAOYSA-N 359.879 2.331 0 40 FEAB O=C(CNS(=O)(=O)Cc1ccccc1)Nc1ccc(F)c(F)c1F 15328918 ZPRLXELNHJPDST-UHFFFAOYSA-N 358.341 2.162 0 40 FEAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 8104653 IXVFHYWSOKNFKC-UHFFFAOYSA-N 363.391 2.276 0 40 FEAB Cn1ncc2c(NCc3cccc(NC(=O)[C@H]4CCCO4)c3)ncnc21 69952046 NGNUCDYPGWXTNY-OAHLLOKOSA-N 352.398 2.093 0 40 FEAB CCn1nc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c2ccccc2c1=O 8806625 PMTBDTADVNEKKO-LBPRGKRZSA-N 357.410 2.021 0 40 FEAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 74682564 UUCNEZRLNKOPKB-SJORKVTESA-N 357.454 2.089 0 40 FEAB CC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)Cc1c2nc(C)n1C(C)C 306127025 FLUSRWXJBJFYMJ-UHFFFAOYSA-N 358.486 2.405 0 40 FEAB Cc1c(C(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)oc2c1C(=O)CCC2 89568158 HIYDGNLRUXFCJN-CYBMUJFWSA-N 362.470 2.272 0 40 FEAB COc1ccc(C)cc1NC(=O)CN1CC[C@H](C(N)=O)c2ccccc21 89618630 BJISTFRZURFKEL-HNNXBMFYSA-N 353.422 2.421 0 40 FEAB COc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3)CC2)n1 35315747 NMTBPYOYNFJGQY-UHFFFAOYSA-N 354.454 2.369 0 40 FEAB CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244855 IBZPQWZRMHJEOJ-HNNXBMFYSA-N 355.504 2.221 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1Cl 176960927 NXZQHCCBLYMKNW-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 306132887 LVHRHPHZUGSRIC-OAHLLOKOSA-N 364.515 2.238 0 40 FEAB CC(=O)N1CCC(N2CCC[C@@H](c3nccnc3-n3ccnc3C)C2)CC1 72350687 OMECVYPFSQHTCF-QGZVFWFLSA-N 368.485 2.161 0 40 FEAB COc1ccc(S(=O)(=O)c2cnc(N3CCC[C@@H](C)C3)nc2N)cc1 71772023 PZUHHZCCFFQNTL-GFCCVEGCSA-N 362.455 2.137 0 40 FEAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1c(C)noc1C 72324275 XMTLBOHQANFDPX-NSHDSACASA-N 362.411 2.378 0 40 FEAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H]2Cc2nc4ccccc4c(=O)n2C3)o1 72327412 HMUJNPGRFCLLOC-KGLIPLIRSA-N 364.405 2.231 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1cccc2ccccc12 70636191 YNKUOPPGWVEBNL-QGZVFWFLSA-N 354.431 2.367 0 40 FEAB COc1cc(CNC[C@H](O)CN2CCCC2)ccc1OCC(F)(F)F 71950218 XHPDZVJWSCEPBM-AWEZNQCLSA-N 362.392 2.183 0 40 FEAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)[C@H]2CCCS2(=O)=O)cc1 574822265 CWCSNDPZIGNQAN-HUUCEWRRSA-N 367.467 2.193 0 40 FEAB Cc1ccccc1N1C[C@@]2(COCCN(Cc3ccccn3)C2)OCC1=O 96240106 OSTMFAMYMYGTDN-NRFANRHFSA-N 367.449 2.024 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@]3(CCN(Cc4ccccn4)C3=O)C2)cn1 96063221 FJCACTILOXXETD-FQEVSTJZSA-N 350.422 2.050 0 40 FEAB O=C(Cc1ccccn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247853180 JJTSHTRLLKCRHY-QGZVFWFLSA-N 362.495 2.154 0 40 FEAB CCOc1ccc2nnc(CNC(=O)c3cc(-c4cccs4)on3)n2n1 253408008 XAHPHUKLELWKHV-UHFFFAOYSA-N 370.394 2.170 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc(NC(C)=O)cc3)C2)c1F 253472476 MPIKYGFODIAILC-HNNXBMFYSA-N 372.400 2.430 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257223999 DZWKELVZNOJJMW-KRWDZBQOSA-N 357.410 2.130 0 40 FEAB Cc1nn(C)cc1CCC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257296746 REFIEIXJSUMYPM-LJQANCHMSA-N 357.458 2.183 0 40 FEAB Cc1nc2ccc(C(=O)N3C[C@@H](O)[C@H](Oc4cccc(F)c4)C3)cc2[nH]1 257322171 WEVULILRHKAPLD-QZTJIDSGSA-N 355.369 2.275 0 40 FEAB Cc1csc([C@H](C)CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 273283893 LPWADOUZFVTUTO-SJKOYZFVSA-N 363.487 2.246 0 40 FEAB CN(Cc1ccccn1)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644321515 YJMYTYSLXVZMHS-NRFANRHFSA-N 353.466 2.457 0 40 FEAB Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)c2cnn(C(C)C)c2n1 655601237 NYSLGAYDXWIKEE-MRXNPFEDSA-N 367.409 2.141 0 40 FEAB CCN1CCO[C@@H](CN2C(=O)[C@H]3CCCCN3C2=O)[C@@H]1c1ccccc1 656831767 NAEFILWJQNEYJG-SQNIBIBYSA-N 357.454 2.265 0 40 FEAB CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl 86962099 CBOPJWXMIGGTLW-UHFFFAOYSA-N 367.298 2.469 0 40 FEAB Cn1nc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1C1CC1 607777633 NNNHTVSAKRPBPY-UHFFFAOYSA-N 352.438 2.332 0 40 FEAB CCc1ccc(NC(=O)C[C@H]2CN3C(=NC2=O)N(N)c2ccccc23)cc1 618256932 ODQSEZPBZQGTJH-AWEZNQCLSA-N 363.421 2.290 0 40 FEAB COc1ccc(OC)c(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1 585294425 FDLOYUHTOWWUGT-SFHLNBCPSA-N 357.450 2.333 0 40 FEAB CC(C)N1CCO[C@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19705475 WLFNNKGNNVWDCR-AWEZNQCLSA-N 363.483 2.142 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1 60093167 ZWEDMCBOLGRBCX-UHFFFAOYSA-N 359.514 2.098 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1C(=O)NC1CCCCC1 12182571 VEXWLGRHVVMYEE-INIZCTEOSA-N 371.437 2.314 0 40 FEAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3)cc1 12345471 LQZHKMQJKBUKEU-IBGZPJMESA-N 363.417 2.388 0 40 FEAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccc2c(c1)OCO2 16543417 ADOCJRSDYKMPLR-UHFFFAOYSA-N 361.404 2.444 0 40 FEAB CN(C)C[C@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 19581941 OEIBYKTXNDDOBI-GFCCVEGCSA-N 358.408 2.333 0 40 FEAB COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc(OC)ccc3OC)C2)n1 19594306 KUAWKAVUYYMLAD-AWEZNQCLSA-N 373.453 2.313 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)C1 19709525 AJWJFDTXFYYQOS-KRWDZBQOSA-N 371.460 2.201 0 40 FEAB Cn1cnc2ccc(NC(=O)C[C@H]3NC(=O)N(c4ccccc4)C3=O)cc21 19717261 QJOPUMXWVDTHER-OAHLLOKOSA-N 363.377 2.027 0 40 FEAB Cc1ccccc1CCNC(=O)NCc1cccc(NS(C)(=O)=O)c1 10356402 GGKGJQXJQHEYBO-UHFFFAOYSA-N 361.467 2.408 0 40 FEAB Cn1c(N2C[C@@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)nc2ccccc21 1888856970 DHWDPXOPBRAIDD-RLFYNMQTSA-N 354.454 2.037 0 40 FEAB Cn1c(N2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)nc2ccccc21 1888888358 BSIVPXOKYOKWPX-BETUJISGSA-N 353.451 2.238 0 40 FEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(c3ncnc4[nH]cnc34)CC[C@@H]21 2037843814 KBBRVNNGSCQLSR-ZACQAIPSSA-N 362.437 2.194 0 40 FEAB O=C(Nc1ccc(F)c(F)c1)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056223997 LGNKOWNLVBWDLW-CYBMUJFWSA-N 369.437 2.389 0 40 FEAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC(C)C)ccn3n2)cc1 9321155 RGFRLDLQYJEKFF-UHFFFAOYSA-N 368.437 2.334 0 40 FEAB Cc1nnc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)s1 15881719 KKGBOQNHKJYTTI-UHFFFAOYSA-N 373.423 2.275 0 40 FEAB O=C(NCCCn1ncccc1=O)c1cc(Br)ccc1Cl 23241778 OWMVVQJCRUBSHN-UHFFFAOYSA-N 370.634 2.479 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254729 FFJAQXZKNXELIO-KBPBESRZSA-N 350.419 2.282 0 40 FEAB CCc1ncnc(N2CCN(c3cccc(-n4ccnc4C)n3)CC2)c1F 2298064982 VGGAZVVKFZZBKL-UHFFFAOYSA-N 367.432 2.394 0 40 FEAB CC/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20290513 PHTIISQROPSPCW-ZPTIMJQQSA-N 357.410 2.011 0 40 FEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccc(F)cc1 100911442 QUSWSRUHJWTJCL-BZSNNMDCSA-N 351.381 2.361 0 40 FEAB CC(=O)N[C@H](CC(=O)NCc1ccc(NC(N)=O)cc1)c1ccc(C)cc1 32899212 YVSFBVXLCIWCFA-GOSISDBHSA-N 368.437 2.369 0 40 FEAB Cc1cc(C)cc(OC[C@@H](O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 33015088 VMPHDWCBNRKCPE-INIZCTEOSA-N 367.449 2.412 0 40 FEAB O=C1COc2ccc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)cc2N1 33157838 NUACYNUNHPXLCO-INIZCTEOSA-N 355.325 2.288 0 40 FEAB CCn1c(S)nc2cc(C(=O)NCCc3cccnc3)ccc2c1=O 102934156 KFTMARBFGJZMJU-UHFFFAOYSA-N 354.435 2.073 0 40 FEAB CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1=O 22463138 OUIQZIZQXTWSEC-SFHVURJKSA-N 354.454 2.220 0 40 FEAB C[C@]1(NC(=O)c2ccc(COCC(F)(F)F)cc2)CCS(=O)(=O)C1 22741228 AMJHSVWLVJQNSM-AWEZNQCLSA-N 365.373 2.073 0 40 FEAB CS(=O)(=O)N1CCC(c2ccc(I)cc2)CC1 1857794383 UWYLEKFSGYJHPY-UHFFFAOYSA-N 365.236 2.430 0 40 FEAB CN(C)C(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)c2ccccc2O1 54707075 INDGMAWQRHTTPY-LJQANCHMSA-N 366.417 2.046 0 40 FEAB C[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCCC1 24091536 FTIMDAZQMPUCRY-BLLLJJGKSA-N 360.410 2.157 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 667753 ZNIMCRLLPALBDK-NSHDSACASA-N 370.833 2.462 0 40 FEAB Cc1nn(C(=O)c2nn(C)cc2I)c(C)c1Cl 888144 BOGJBQCVFQEQPR-UHFFFAOYSA-N 364.574 2.180 0 40 FEAB O=C(c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1)N1CCOCC1 915681 AETLTPDSRYCINJ-HZPDHXFCSA-N 374.824 2.181 0 40 FEAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC(N2CCNC2=O)CC1 56359230 AXPCUJMEKILODF-UHFFFAOYSA-N 360.502 2.402 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2OC)c1=O 57477443 JMIGNGKFMXYZNF-UHFFFAOYSA-N 367.405 2.221 0 40 FEAB CCN(C)[C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 57834210 LZVXIPIFSGLYMM-QZTJIDSGSA-N 353.470 2.255 0 40 FEAB COc1ccc(F)cc1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 9157231 NKZCXFGMALVUPW-LLVKDONJSA-N 350.415 2.433 0 40 FEAB CC(C)NC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 10076902 JIQWFLJEVFBBEN-UHFFFAOYSA-N 351.353 2.193 0 40 FEAB COc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccc2c(c1)OCO2 58158507 XPZHNJAKLYQKFK-CYBMUJFWSA-N 374.393 2.328 0 40 FEAB NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1cc(C(=O)O)cs1 58184385 PDWQYMZGIDFNGV-UHFFFAOYSA-N 366.376 2.092 0 40 FEAB COc1ccc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cc1 9060142 WYEXVLMCDAPXBG-UHFFFAOYSA-N 352.398 2.217 0 40 FEAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 10403441 PDUTYUUEWNFDFA-GFCCVEGCSA-N 358.423 2.454 0 40 FEAB COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)O)ccc1OC 58495007 IEUPOVYBVJCZEY-UHFFFAOYSA-N 363.391 2.153 0 40 FEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 102251394 SVDIYMRERLQLJQ-XSLAGTTESA-N 352.390 2.489 0 40 FEAB CC(C)(C)OC[C@@H](O)CN1CCN(c2ccc(Br)cn2)CC1 46055321 FLKRQWQKXLSWJM-AWEZNQCLSA-N 372.307 2.142 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)no1 2616423 VIGSCXNHJPSUFG-MRXNPFEDSA-N 362.773 2.042 0 40 FEAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OC 22074662 PEWRBOXTOHZHSX-UHFFFAOYSA-N 364.467 2.074 0 40 FEAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl 25181643 NYVHSUFXMNDJKC-KRWDZBQOSA-N 370.844 2.348 0 40 FEAB C[C@H](NC(=O)c1ccccc1I)C(=O)NC(C)(C)C 48303012 BNUTZCHMDZHTPC-VIFPVBQESA-N 374.222 2.324 0 40 FEAB Cc1noc(C)c1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 48303378 YWXUIHQFFMKHIP-UHFFFAOYSA-N 363.377 2.401 0 40 FEAB C[C@H](SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)O 12814127 SKYOBMGKUYKJRS-LBPRGKRZSA-N 350.440 2.070 0 40 FEAB C[C@@H](C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccc2c(c1)OCCO2 12978845 BULBBZUNMZWQSG-ZDUSSCGKSA-N 361.442 2.047 0 40 FEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc2[nH]cnc2c1 39985633 NYPJELCWDDSXEF-QGZVFWFLSA-N 350.422 2.194 0 40 FEAB O=S1(=O)CC[C@@H](c2nn3c(-c4ccc(Cl)cc4)nnc3s2)C1 96231166 BWBAGYFSBJSBDB-SECBINFHSA-N 354.844 2.408 0 40 FEAB CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571314 CYHCBCHMBXTBFS-NSHDSACASA-N 367.858 2.067 0 40 FEAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 5678553 JOEGMHJAPBWIGY-UHFFFAOYSA-N 351.453 2.488 0 40 FEAB CCc1cccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c1 7530447 MYPQGGWZSGSERG-UHFFFAOYSA-N 371.470 2.088 0 40 FEAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC(C)C)cc1 408710078 NVSGTFBZCMMPDS-UHFFFAOYSA-N 369.421 2.088 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 16619789 WNWSCEBYAAJKKZ-CALCHBBNSA-N 369.417 2.371 0 40 FEAB COCCn1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)n1 72075024 YIJAKHXUZRVQCZ-UHFFFAOYSA-N 357.458 2.316 0 40 FEAB CNc1ccccc1C(=O)OCC(=O)Nc1cc(NC(C)=O)ccc1OC 8154141 IWROFIBTBWCIRJ-UHFFFAOYSA-N 371.393 2.491 0 40 FEAB Cc1nc2cc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)ccc2o1 9709879 CZLQJGVGOBVZBM-UHFFFAOYSA-N 364.361 2.440 0 40 FEAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC1CCCCC1 8328328 ZYMQUGJYEXFSTN-UHFFFAOYSA-N 361.442 2.117 0 40 FEAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1 9787792 BGFGDGQMGSFZEH-UHFFFAOYSA-N 358.419 2.249 0 40 FEAB COc1ccc2nc(NC(=O)CSc3nnc(N)s3)sc2c1 17161722 FNSOAGXPCPYPNT-UHFFFAOYSA-N 353.454 2.469 0 40 FEAB O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCc2ccccc2C1 17321957 OGXWMPKTQQMPPF-UHFFFAOYSA-N 356.447 2.326 0 40 FEAB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C(N)=O 8568873 JOFGYJFEHAJRNM-JTQLQIEISA-N 368.418 2.141 0 40 FEAB CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(NC(C)=O)cc1 8814468 JXSJMRZQHCQSER-GFCCVEGCSA-N 360.443 2.109 0 40 FEAB Cc1ccc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cn1 95999974 JJMQJIPHVWTKKV-SFHVURJKSA-N 373.478 2.114 0 40 FEAB CCOCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC)C2)cc1 95961590 PWSQYYWIZXYQHX-INIZCTEOSA-N 370.515 2.112 0 40 FEAB COc1ccc2[nH]cc(C3CCN(c4ccc(C(N)=O)nn4)CC3)c2c1 75047319 JQDQAMUZUWSQQZ-UHFFFAOYSA-N 351.410 2.449 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 89962746 XKFWEBUQGNDCMJ-AWEZNQCLSA-N 368.484 2.023 0 40 FEAB COCCN(CCC(=O)OC)C(=O)CCCOc1ccc(C(C)=O)cc1 75611350 MUOBKXSOJWNCHN-UHFFFAOYSA-N 365.426 2.086 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1Cl 408589506 FXGPFRKTGDWEEX-GFCCVEGCSA-N 374.890 2.418 0 40 FEAB CSCC[C@@H](C(=O)Nc1ccccn1)n1c(O)nc2ccccc2c1=O 524732716 WPAWJHHHEVYQFV-AWEZNQCLSA-N 370.434 2.430 0 40 FEAB COc1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1F 71760512 JYTJVDDUCUMQPE-UHFFFAOYSA-N 355.416 2.291 0 40 FEAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)NCc1cccs1 72346861 LTVIVQYOGYBZJC-UHFFFAOYSA-N 368.418 2.217 0 40 FEAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72360090 VLDRIVHEGNISCF-AWEZNQCLSA-N 350.430 2.421 0 40 FEAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCN(C(=O)CCC(N)=O)C2)n1 72384476 BYQHERIELGYKJX-OAHLLOKOSA-N 368.437 2.467 0 40 FEAB Cc1cc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)on1 564458895 VTKPRPKPFDHEJL-UHFFFAOYSA-N 353.382 2.377 0 40 FEAB Cc1cc(CSc2ncccc2C(=O)N2CCC(CC(N)=O)CC2)no1 40122610 CUYVAFOGLOMVRZ-UHFFFAOYSA-N 374.466 2.398 0 40 FEAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 197737195 RMETXJAOQXDKDU-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2nnc3n2CCCC3)cc1 583615550 HDZQGLDJCHASHM-YLJYHZDGSA-N 356.470 2.495 0 40 FEAB O=S1(=O)CC[C@@H](c2nn3c(-c4ccccc4Cl)nnc3s2)C1 96231064 NRTDZWZKQXKHCP-MRVPVSSYSA-N 354.844 2.408 0 40 FEAB CN1CC2(CCN(c3cccnc3)CC2)COc2ccccc2S1(=O)=O 96145101 IDNSHBXFUQXPSM-UHFFFAOYSA-N 373.478 2.381 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108210 PYVLDZWZEQJHLZ-MAUKXSAKSA-N 357.410 2.118 0 40 FEAB C[C@H]1C[C@@H](C)CN(C[C@H](O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 247560977 YRZSGKKPOBJZAB-GJRWTSMGSA-N 366.527 2.409 0 40 FEAB CN(C)c1cc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)ccn1 257259927 LARMPIKUNISHRQ-MRXNPFEDSA-N 350.426 2.256 0 40 FEAB O=C(Nc1ccc(Cl)cc1)c1cnn2c(O)cc([C@H]3CCNC3)nc12 257313826 UUGLREBKQMLNGW-JTQLQIEISA-N 357.801 2.418 0 40 FEAB COCCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@H]2C)n1 260735341 GSSHKBCRUKIOOR-GFCCVEGCSA-N 353.492 2.187 0 40 FEAB CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C(=O)O)c1 629508409 ZPTDFGOSVZBSCL-UHFFFAOYSA-N 356.378 2.227 0 40 FEAB Cc1nc(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cs1 585108568 GZUYRFXDQKRRCF-IKGGRYGDSA-N 359.451 2.435 0 40 FEAB CC(C)CN1C[C@@]2(COCCN(c3ncnc4ccsc34)C2)CC1=O 585104549 QBGXSTZSDMSNJZ-GOSISDBHSA-N 360.483 2.403 0 40 FEAB Cc1ccc(=O)n(CC2CCN(c3ncc(Br)cn3)CC2)n1 585503320 ONJHCUNFDGHFAI-UHFFFAOYSA-N 364.247 2.021 0 40 FEAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1cc(F)ccc1F)C2 585111918 JAXBMZNLGWHQOE-NSHDSACASA-N 365.380 2.276 0 40 FEAB O=C(c1csnn1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009726 OSIKYDRUVAMOPI-UHFFFAOYSA-N 359.333 2.031 0 40 FEAB CCOC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c[nH]1 79105215 DFTSHQQDLOXHEE-HNNXBMFYSA-N 374.397 2.097 0 40 FEAB CC[C@H](C)[C@@H](C(=O)O)N(C(=O)OC)C1=Cc2ccccc2S1(=O)=O 1570005836 WUIWLGNSTBZACL-HZMBPMFUSA-N 353.396 2.340 0 40 FEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 15762519 DAVXQZKUTAKMAV-NSHDSACASA-N 366.439 2.462 0 40 FEAB O=C1CCCN1CCCc1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1 19374929 BTDFXSRXZAJARH-MRXNPFEDSA-N 368.437 2.261 0 40 FEAB CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)CCn1cncn1 19451475 OJJQXTUADRHUDH-GOSISDBHSA-N 359.449 2.176 0 40 FEAB CCc1noc(C)c1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19521194 UIKLXWXDOYXROQ-UHFFFAOYSA-N 369.469 2.343 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2cccc(C)c2)CC3)C1 19709457 ZMZNEUMJBABRBX-LJQANCHMSA-N 367.497 2.371 0 40 FEAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 3447746 AFQFJYZKIWLQHG-UHFFFAOYSA-N 357.366 2.234 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 1888856601 FXCPDHDTONQEHE-UHFFFAOYSA-N 362.384 2.115 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccc(C)c(C)c4)C[C@H]3C2)nn1 1888890413 ACLCEINNWGSBQJ-IAGOWNOFSA-N 372.494 2.159 0 40 FEAB Cc1ccc(-n2ccn3c(=O)n(Cc4ccc(F)cc4)nc3c2=O)cc1C 245026716 NIDBGNPDSOUVFD-UHFFFAOYSA-N 364.380 2.451 0 40 FEAB COc1nn(C)cc1C(=O)Nc1nnc(SCc2cccnc2)s1 21011244 GANNPDCVDZEOKZ-UHFFFAOYSA-N 362.440 2.220 0 40 FEAB COc1ccc(CNC(=O)NC[C@@]2(O)CCOc3ccccc32)cc1OC 75158200 QLIVNSABUUIWKH-FQEVSTJZSA-N 372.421 2.173 0 40 FEAB O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc2cc[nH]c2c1 113564290 LWXHEWWBCGOGBR-MRXNPFEDSA-N 363.373 2.318 0 40 FEAB CCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(O)CC3)C2=O)cc1 215705257 PGVLHCNPYOPQPM-GOSISDBHSA-N 360.454 2.344 0 40 FEAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1Br 30287656 VWKFIVOJQALLNS-LURJTMIESA-N 356.263 2.374 0 40 FEAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 40073665 IOBVDEHCOMJVHP-DLBZAZTESA-N 361.486 2.427 0 40 FEAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 40160211 MPZGJCDNDDENCK-ZDUSSCGKSA-N 364.829 2.105 0 40 FEAB NC(=O)[C@H]1CN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CCO1 50955712 XNNZYCUFVLRADR-GFCCVEGCSA-N 358.467 2.138 0 40 FEAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2C)nc1CO 21148990 JCUWSNPWUIPREW-UHFFFAOYSA-N 352.394 2.007 0 40 FEAB Nc1c(S(=O)(=O)c2ccc(Cl)cc2)nnn1-c1ccc(F)cc1 22775241 NTHRLABRSDYAKX-UHFFFAOYSA-N 352.778 2.475 0 40 FEAB CC(C)[C@@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 42902020 SDJROKQPLNVUCG-BXUZGUMPSA-N 368.480 2.248 0 40 FEAB COc1ccc(C)cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O 655994 RQYPRFDMJFEIFV-UHFFFAOYSA-N 354.472 2.028 0 40 FEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 922546 FXNHDGVNGTVCJA-CQSZACIVSA-N 372.512 2.034 0 40 FEAB CCc1cc(Sc2nnnn2C[C@@H]2CCCO2)nc(-c2ccccn2)n1 78604130 XTADOBWHMCTFHC-ZDUSSCGKSA-N 369.454 2.418 0 40 FEAB CCOC(=O)C1=C(C(F)(F)F)NC(=S)N[C@@H]1c1ccc2c(c1)OCO2 3194080 DLCKIIZLTMMIAU-LLVKDONJSA-N 374.340 2.314 0 40 FEAB CCOC(=O)C1CCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 55505160 QPZADWIOYPXCHT-IBGZPJMESA-N 358.482 2.495 0 40 FEAB CCNC(=O)NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 55874790 KBOUTQIRWCNMIY-UHFFFAOYSA-N 372.400 2.265 0 40 FEAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4971458 NXCIQRTZJZQWDM-UHFFFAOYSA-N 366.483 2.079 0 40 FEAB COc1cc(CNn2nnnc2N)ccc1OCc1cccc(Cl)c1 7601192 PUYCOJVQPLQGNO-UHFFFAOYSA-N 360.805 2.240 0 40 FEAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 107220236 KWTPMLHNZREFJO-UHFFFAOYSA-N 367.409 2.299 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 43730468 VCHIEKONPXTXBN-LCONNIHZSA-N 367.449 2.020 0 40 FEAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425681 QQEDUGZJZXZDNS-UHFFFAOYSA-N 355.485 2.065 0 40 FEAB CCN(Cc1c(F)cccc1F)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456924 MMWVRDOEBUTRNO-YDOWWZDFSA-N 374.387 2.120 0 40 FEAB COc1ccc(OC)c(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 12536102 LCRUJXVFHVFLGZ-UHFFFAOYSA-N 364.423 2.005 0 40 FEAB COc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 58179712 PZGGQOGIQNUBER-UHFFFAOYSA-N 374.462 2.429 0 40 FEAB COc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1F 58160805 GSYQEYYPQJHHKC-UHFFFAOYSA-N 368.416 2.132 0 40 FEAB CNC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 24782004 NLMVYZAZTHWSCT-LLVKDONJSA-N 368.275 2.234 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ccn(-c3ccccc3)n2)c1=O 58228207 NMHPDOQTXWSMCD-UHFFFAOYSA-N 362.311 2.200 0 40 FEAB NC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1 58223191 YPKJEAOEEXOCNK-MRXNPFEDSA-N 354.797 2.482 0 40 FEAB CN(C)c1nc(N)nc(COC(=O)Cc2ccc(Cl)c(Cl)c2)n1 10390314 AKBBUDRTDSQUKO-UHFFFAOYSA-N 356.213 2.113 0 40 FEAB CC(C)COCCC(=O)Nc1ccc2[nH]c(CN3CCOCC3)nc2c1 58378509 XLNNUCSBVDCKMD-UHFFFAOYSA-N 360.458 2.396 0 40 FEAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12549718 HWBIUOJYKFMSRM-BBRMVZONSA-N 372.490 2.384 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2C1=O 28751012 LOEKGPLWSOSQNI-UHFFFAOYSA-N 363.373 2.292 0 40 FEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417097 PYVNHVSDBNFQAE-BMIGLBTASA-N 366.849 2.488 0 40 FEAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCN21 100660640 XAXCJQGPSUHBLW-KURKYZTESA-N 351.381 2.361 0 40 FEAB COc1ccc(OC)c(NC(=O)CNc2cccc(-n3nnnc3C)c2)c1 29686811 NICFSBNTPXJVHZ-UHFFFAOYSA-N 368.397 2.039 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CCCN(c2cnccn2)C1 29841460 FYJRXANXDLIIEY-INIZCTEOSA-N 367.453 2.065 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 12921907 CTNWAYLXNAVRDL-UHFFFAOYSA-N 364.389 2.490 0 40 FEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cccs1 9337066 FAUAIFATLAZSHY-QWRGUYRKSA-N 363.464 2.053 0 40 FEAB Cc1ccccc1NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 4487849 MJFQMQCKFRMQEL-HNLJFRNMSA-N 363.410 2.330 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 14109941 PROPNIBPAUNZSS-UHFFFAOYSA-N 364.449 2.234 0 40 FEAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC(N)=O 4516086 LXVWIKYDAZWHFV-NSHDSACASA-N 371.422 2.262 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493458 WZXDPBVLTSJQTI-FZKQIMNGSA-N 372.446 2.191 0 40 FEAB COc1cccc(OC)c1OCCN1CCN(C(=O)c2ccco2)CC1 19708207 JXLZUCSPUHUVGY-UHFFFAOYSA-N 360.410 2.134 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)NCCn1cc(Br)cn1 28246175 JXRWMXXDSREZFB-UHFFFAOYSA-N 364.243 2.330 0 40 FEAB Cc1cccc(Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 4818520 VYTWLPHOEKQTOH-UHFFFAOYSA-N 369.469 2.248 0 40 FEAB COc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 15351957 LMLJAOKSAZUULG-HNNXBMFYSA-N 355.438 2.443 0 40 FEAB O=C(c1ccco1)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 16336359 SIIWQKGSFPOYHP-OAHLLOKOSA-N 373.478 2.463 0 40 FEAB O=C(CSc1nnnn1Cc1cccs1)N1CCc2ccccc2C1 8157263 JJJVMINLMDJTCP-UHFFFAOYSA-N 371.491 2.460 0 40 FEAB C[C@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 95448508 MLJWRWPKUAPIDG-HXUWFJFHSA-N 368.458 2.350 0 40 FEAB Cc1nnc2n1C[C@H](C(=O)N1CCC[C@H]1c1ccc3c(c1)OCO3)CC2 89740842 XOUUOLCXWJFOHU-CABCVRRESA-N 354.410 2.241 0 40 FEAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)c1 306131568 KITAMLQVUAUCKQ-SJORKVTESA-N 365.481 2.091 0 40 FEAB CN(C)CCn1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 72391694 RKMDLPYJBIUFGC-MRXNPFEDSA-N 370.501 2.284 0 40 FEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccc2)c2ccccc21 126027688 YJHZIRJVHKVDQZ-QGZVFWFLSA-N 370.474 2.475 0 40 FEAB Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36618941 GKOCIPOVWXYYAT-AWEZNQCLSA-N 361.409 2.115 0 40 FEAB CC(C)NC[C@@H](O)COc1ccc(COCOCCOC(C)C)cc1 44699425 NGCBVUSSEGADND-GOSISDBHSA-N 355.475 2.340 0 40 FEAB in-vitro COCC(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 72346038 MZSVLBCXQNMWCA-AWEZNQCLSA-N 356.426 2.087 0 40 FEAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1 224212599 IFLNAYPAHTUQJX-UHFFFAOYSA-N 350.419 2.085 0 40 FEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 40074044 UWZREAVRQHPBSC-LLVKDONJSA-N 351.834 2.272 0 40 FEAB NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 85876671 OFFWLJPSRKWXOF-UHFFFAOYSA-N 358.401 2.450 0 40 FEAB biogenic COc1cc(C)c(Br)cc1S(=O)(=O)NC1(C(=N)O)CC1 332000423 ROKVHJUPVYFZHG-UHFFFAOYSA-N 363.233 2.112 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242400314 AUAADPZMOFNVLH-ZIFCJYIRSA-N 359.447 2.218 0 40 FEAB COc1cc(N2CC3(C2)OCC[C@@H]3COCc2csc(C)n2)ncn1 248076551 ZZYMWMNFHSSSJI-CYBMUJFWSA-N 362.455 2.062 0 40 FEAB Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C 247935195 RWMWZYUBRKBXMG-NQIIRXRSSA-N 371.481 2.319 0 40 FEAB O=C(O[C@@H]1CO[C@@H]2[C@H](OC(=O)[C@H]3CC=CCC3)CO[C@H]12)[C@@H]1CC=CCC1 255188786 LPDKIQIMYPFJJX-SISKNIMQSA-N 362.422 2.320 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](Cc1nccc(Nc3cc(C)n[nH]3)n1)CO2 257262194 LKNJOHVZQLSNOK-OAHLLOKOSA-N 370.457 2.212 0 40 FEAB Cc1ncsc1CN1CC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257244853 INBOVTAGYXITCV-CYBMUJFWSA-N 370.482 2.186 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 257247004 IWXVZIFVBBHOBT-BQFCYCMXSA-N 372.513 2.376 0 40 FEAB CS(=O)(=O)c1cnc2nc(-c3cccnc3)nn2c1-c1ccccc1 618255945 CASLNTGDLHUIBS-UHFFFAOYSA-N 351.391 2.257 0 40 FEAB NC(=O)C[C@@]1(O)CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 643746799 VFOKDGAIBKPHDT-SFHVURJKSA-N 351.878 2.143 0 40 FEAB O=C(O)CN1CCCC[C@H](N2CCC(Oc3ccc(F)cc3)CC2)C1=O 643873388 XWDCOWWSLFOWPH-KRWDZBQOSA-N 364.417 2.135 0 40 FEAB CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cc2c(s1)CCNC2 662798709 HTOXYAVETDECNN-UHFFFAOYSA-N 369.443 2.157 0 40 FEAB COCCOc1ncccc1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C 665964913 YXBPJEYQHLSPAA-ZYHUDNBSSA-N 363.336 2.290 0 40 FEAB O=C(O)[C@@H]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)N1 1775960224 ZRMVJTSOOVANQX-OLZOCXBDSA-N 356.344 2.058 0 40 FEAB OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCC1 585283047 PADUXZZIHGRLAS-GOSISDBHSA-N 355.862 2.087 0 40 FEAB NS(=O)(=O)c1cccc(NC(=O)NCCc2cccc(Cl)c2)c1 30995677 DRYODHIWHOQDEU-UHFFFAOYSA-N 353.831 2.352 0 40 FEAB Cc1nc(O)c(Br)cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 515293554 RFIOTAQGPOKZGM-JTQLQIEISA-N 368.275 2.414 0 40 FEAB COc1ccc2nccc(N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1 891666118 MOJYRNGXTIBLEA-HNNXBMFYSA-N 355.438 2.319 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615155095 HTVLGRKONNKEMH-IBGZPJMESA-N 373.384 2.160 0 40 FEAB Cc1nn(C)cc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615129707 MVQPZZAFGHUGEQ-UHFFFAOYSA-N 372.444 2.266 0 40 FEAB COCCc1ncc(CN2CCCN(c3cccc(OC)c3)CC2)cn1 12148152 SVRFAZQDBAYBOM-UHFFFAOYSA-N 356.470 2.386 0 40 FEAB Cc1ccc(C2(O)CCN(CCNC(=O)CN3CCCCCC3)CC2)cc1 12291106 MBFAAQZNLNBXKM-UHFFFAOYSA-N 373.541 2.271 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc21 12428020 CZFAGHBCUUFTJP-OAHLLOKOSA-N 358.419 2.487 0 40 FEAB COc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 12444090 SARCBVYZQLNBQR-UHFFFAOYSA-N 366.343 2.466 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 12868269 XPZXEDBPASIOFP-FQEVSTJZSA-N 350.374 2.271 0 40 FEAB O=c1cc(CCCN2CCOCC2)nc(N[C@@H]2CCc3ccccc32)[nH]1 19375182 YBCYAXKSAOMUQG-GOSISDBHSA-N 354.454 2.134 0 40 FEAB C=Cn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C 19554394 UDJHKXNPDSNIHX-QHAWAJNXSA-N 352.482 2.154 0 40 FEAB Cc1nn(C)cc1CN1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 19583814 ZYRUFEVCSQHGRR-INIZCTEOSA-N 370.501 2.182 0 40 FEAB Cc1ncn(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5nonc5C)(C4)C2)C3)n1 100773238 FPOKCRZNWBRTOU-GKVPXEHWSA-N 370.457 2.232 0 40 FEAB Cc1noc(C2(NC(=O)Nc3cnc(CC(C)C)nc3)CCOCC2)n1 529091734 OCDSLLWYRPCCFF-UHFFFAOYSA-N 360.418 2.194 0 40 FEAB Cc1nc(C)c(CN(C)C2CN(S(=O)(=O)Cc3ccccc3)C2)s1 1888880006 FZWHSJOCPJPBPU-UHFFFAOYSA-N 365.524 2.406 0 40 FEAB COc1ccccc1CNC(=O)COC(=O)c1cccnc1N1CCCC1 22313767 XLOWATCEXUPDPZ-UHFFFAOYSA-N 369.421 2.164 0 40 FEAB CCN(CC)CCNS(=O)(=O)c1cc(Br)ccc1OC 7612568 GILPZPUPBVQSGW-UHFFFAOYSA-N 365.293 2.078 0 40 FEAB O=C([C@@H]1CN(c2nc3ccc(F)cc3o2)CCO1)N1CCC(F)(F)CC1 2086968243 QHTQAFKJHUARCK-AWEZNQCLSA-N 369.343 2.430 0 40 FEAB CC1CCC(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)CC1 1565544321 IHSVCEBWOARGBA-BTRQGYIVSA-N 351.535 2.066 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 1565556597 WSUJPYDNDNROIA-UHFFFAOYSA-N 366.465 2.384 0 40 FEAB CCn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 4250936 JCWQKXDNVFFQAL-UHFFFAOYSA-N 371.828 2.179 0 40 FEAB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 6667963 CUKIFGKQPMIJLC-SUYBPPKGSA-N 350.802 2.387 0 40 FEAB COc1cc(C(=O)NC[C@H](c2cccn2C)N(C)C)cc(OC)c1OC 11846412 UKGLXALVXQSFJP-OAHLLOKOSA-N 361.442 2.084 0 40 FEAB CCN1CCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 12180132 QMGKANATMRUCEC-WMZOPIPTSA-N 358.486 2.192 0 40 FEAB CSc1ncc(C)c(N2CCN(Cc3n[nH]c4c3CCCC4)CC2)n1 2086865070 GXYMOEMFWJKMSL-UHFFFAOYSA-N 358.515 2.431 0 40 FEAB NCCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 19404361 NZNZHTDYECDOQJ-OAHLLOKOSA-N 356.474 2.071 0 40 FEAB CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 40062183 FBWAJBZXTIDMTH-UHFFFAOYSA-N 366.414 2.240 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1 51316364 FDYBFRPBYIWERC-UHFFFAOYSA-N 354.362 2.146 0 40 FEAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(C)c1Cl 102403953 FSFYESIJGXUIFN-OKILXGFUSA-N 362.813 2.318 0 40 FEAB C[C@H](OC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)NC1CC1 32899311 SABRQLVWIAIPMI-ZDUSSCGKSA-N 364.405 2.304 0 40 FEAB Cn1c(S)nnc1CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 103983463 MRKHMIZPSNOZGF-UHFFFAOYSA-N 358.467 2.262 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)s1 22960322 RXWSBRYYPYIKRO-HNNXBMFYSA-N 365.480 2.305 0 40 FEAB O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)NC1CCCCC1 884886 NXCWARDLBDKBDG-UHFFFAOYSA-N 373.478 2.040 0 40 FEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccnc1N1CCCC1 23761236 OCIUXXBJRLSOTG-UHFFFAOYSA-N 363.421 2.191 0 40 FEAB CNc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1 1419190 WMPHYECGDKNFKW-UHFFFAOYSA-N 368.363 2.181 0 40 FEAB O=S(=O)(N1CCCCCC1)N1CCN(CCCc2ccccc2)CC1 55404357 GECOWJCYGCYZIS-UHFFFAOYSA-N 365.543 2.358 0 40 FEAB CCNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6954032 AIPOHXWAYUFHNU-UHFFFAOYSA-N 360.479 2.276 0 40 FEAB CCOc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 7686760 QVCJHOALEZUMLV-UHFFFAOYSA-N 373.428 2.411 0 40 FEAB CCN(CC)C(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10335444 IHJOMKVAQAXEAR-LLVKDONJSA-N 362.879 2.372 0 40 FEAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)cc1 8559291 PCIRXJPTNPUPOW-SNVBAGLBSA-N 353.304 2.381 0 40 FEAB CNc1cc(N2CCC[C@@H]2CNCc2nc3ccccc3n2C)ncn1 109070490 GFZQFAHBZAGTLZ-CQSZACIVSA-N 351.458 2.164 0 40 FEAB COc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCN(C(C)C)C2)CC1=O 58210386 HAJDQSOMGWCZLP-DLBZAZTESA-N 373.497 2.285 0 40 FEAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)C1=Cc2ccccc2CC1 12557301 UFDOOOSOXYFUTQ-UHFFFAOYSA-N 353.407 2.391 0 40 FEAB COc1cccc(CNC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 10356246 VLYHWYPIWPCJMK-UHFFFAOYSA-N 363.439 2.066 0 40 FEAB CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 58441517 ROVPJBNIRJUDIE-ZDUSSCGKSA-N 358.360 2.455 0 40 FEAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 28439230 RGOSOKPSJXXVEY-CQSZACIVSA-N 356.378 2.015 0 40 FEAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)n1 100205610 FSAGMLBIHQFRTF-HLLBOEOZSA-N 374.485 2.056 0 40 FEAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 95452973 XOFBESJGEXYINV-AEFFLSMTSA-N 362.470 2.263 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@H](c2ccccc2)C1 45411253 LDNCDIFLCBOCJC-SFHVURJKSA-N 358.463 2.299 0 40 FEAB CC(C)c1nc(-c2c(N)n(C)c(=O)n(C)c2=O)sc1C(=O)C(C)(C)C 2659404 LKSFQTADFVABQA-UHFFFAOYSA-N 364.471 2.142 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1N1CCOCC1 61114036 INPGQYXIIOKMEE-OAHLLOKOSA-N 354.406 2.093 0 40 FEAB COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 12778535 OUXQNFJTAYFPHL-VFNNOXKTSA-N 363.410 2.280 0 40 FEAB Cc1oc(C)c(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1C 12755411 XTCZMVWDGMOJBA-SFHVURJKSA-N 355.438 2.189 0 40 FEAB COc1ccc2c(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cc(=O)oc2c1 3448431 XFKCWOSKZNVPEH-UHFFFAOYSA-N 370.361 2.035 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 3459542 ZKKZAJBZKFPZKQ-LJQANCHMSA-N 371.824 2.423 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(F)c2)cc1 48476136 XFUGCIFOWULVEB-UHFFFAOYSA-N 371.821 2.491 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1OC(F)F 3505348 GSIBVRVRSMUZPI-UHFFFAOYSA-N 367.352 2.481 0 40 FEAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 12939741 ZVZYVTAPWAMFSV-SWLSCSKDSA-N 362.401 2.442 0 40 FEAB COc1ccc(OCCOC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 5242290 KQMMFHGGAGRCSZ-UHFFFAOYSA-N 370.361 2.134 0 40 FEAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 65513648 IRWHDSMPCUYEBU-HZPDHXFCSA-N 359.401 2.382 0 40 FEAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(Br)cc1 14129625 RCNUMXJGJSEYQC-MRVPVSSYSA-N 365.187 2.005 0 40 FEAB O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCOCC1 14201009 JWZUFJNVUOAGSP-MRXNPFEDSA-N 364.442 2.456 0 40 FEAB CSc1nc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2s1 14249522 GQGLGFOLCFALIT-NSHDSACASA-N 371.509 2.381 0 40 FEAB Cc1c(C)n(-c2cccnc2)c2ncn(CCCN3CCOCC3)c(=N)c12 6671832 UOSUMGCJSVAQPK-UHFFFAOYSA-N 366.469 2.041 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1cc(F)ccc1F 6651761 CXEGMEIAHDOMOD-UHFFFAOYSA-N 358.300 2.170 0 40 FEAB COc1ccc(CCNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 4965865 DLVWATPFTRPJLZ-UHFFFAOYSA-N 370.453 2.069 0 40 FEAB COc1cccc(CC(=O)OCC(=O)NCc2cccc(OC)c2OC)c1 71760485 ANDHDBREWXFYNO-UHFFFAOYSA-N 373.405 2.115 0 40 FEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCCCC3)c2)C1=O 15858575 LORQVWWHDAFPIL-UHFFFAOYSA-N 350.440 2.015 0 40 FEAB CCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 15842538 ODMDURMEUJRCDE-UHFFFAOYSA-N 358.419 2.420 0 40 FEAB CC(C)CNC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318579 VZEJJTRZFYQXHC-HNNXBMFYSA-N 361.442 2.077 0 40 FEAB COc1ccc([C@H](CNC(=O)Cc2ccc3c(c2)OCCO3)N(C)C)cc1 8346279 MRBFGTIZFFDHDX-SFHVURJKSA-N 370.449 2.428 0 40 FEAB CCCCc1nc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cs1 96795036 XIWHZXLNFXQMMX-AWEZNQCLSA-N 350.532 2.270 0 40 FEAB O=C(c1noc(-c2cccnc2)n1)N(CCO)[C@@H]1CCc2ccccc21 85354322 JTTZYOVASHZUPJ-MRXNPFEDSA-N 350.378 2.254 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CCN1CCCC1=O 95999804 DZNUHBBKMFDAOD-LJQANCHMSA-N 368.481 2.485 0 40 FEAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc(Cl)c2O1 95960474 DELZYRYZBZBGPP-NXEZZACHSA-N 374.890 2.245 0 40 FEAB O=C(/C=C/c1ccccc1Br)N1CCOC[C@@H]1c1ncon1 95981462 PXBOLBYQWMJUSE-URWSZGRFSA-N 364.199 2.445 0 40 FEAB Cc1cnn(C2CN(C(=O)C[C@@H]3CCCN(C(=O)NCC(C)C)C3)C2)c1 89702462 IARONEBMVVCCOP-INIZCTEOSA-N 361.490 2.043 0 40 FEAB COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 510670439 XUNAGPPEAZTIQL-KRWDZBQOSA-N 368.437 2.445 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1nnc2n1CCCC2 527825575 XIGTWXYSUBYTDU-ZBFHGGJFSA-N 360.506 2.382 0 40 FEAB COCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 72376969 NKWCAJRJBLWAMA-MRXNPFEDSA-N 356.426 2.434 0 40 FEAB CC(C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859218 YLDVNOFSRRYFSS-CQSZACIVSA-N 360.863 2.029 0 40 FEAB CC(C)n1cc(CNc2ccc(CCN3CCC(C(N)=O)CC3)cc2)nn1 564115423 YPIORTBNXCTLQI-UHFFFAOYSA-N 370.501 2.211 0 40 FEAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccccc1Cl 224156290 NVNLTGYBSVNJLJ-UHFFFAOYSA-N 352.847 2.209 0 40 FEAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 223175844 GLLVSKSJQNKTDY-INIZCTEOSA-N 368.499 2.406 0 40 FEAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)nn1 96042857 WWAWEETUKBHTKN-USXIJHARSA-N 353.426 2.111 0 40 FEAB CCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc1CC 583618212 POMLXIUELHTEIH-KBXCAEBGSA-N 357.506 2.249 0 40 FEAB CC(C)n1c([C@@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 583652479 HQYDMWDQVRQGMS-INIZCTEOSA-N 353.430 2.358 0 40 FEAB O=C(NC1CC1)c1ccc2c(c1)CN(C(=O)c1cc[nH]n1)[C@@H]2c1cnco1 96087105 RCPLLONOUXCMAJ-KRWDZBQOSA-N 363.377 2.035 0 40 FEAB COc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c1 244166063 VATIIAIIWJCLFM-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)cn1 247983472 HWDUBZMWNHPPPV-GZRFBZBPSA-N 365.437 2.393 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)n1 248125769 LSOUBNLZRMMVIX-KRWDZBQOSA-N 366.465 2.400 0 40 FEAB CC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)C[C@H](O)C1(C)C 257337998 YVJJJTCGLVQQAY-SFHVURJKSA-N 358.482 2.230 0 40 FEAB Cc1ncc(CNC(=O)Cc2sc(C)nc2C)c([C@H]2CCCN2C)n1 257210316 BUBMNFVFDLGDDY-OAHLLOKOSA-N 359.499 2.484 0 40 FEAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccc2nsnc2c1 253400310 LDJCNMOHLQCOBG-MRXNPFEDSA-N 350.407 2.454 0 40 FEAB Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccccn2)c1 253601945 GPKSVCMLFNSHMF-KRWDZBQOSA-N 353.422 2.233 0 40 FEAB CO[C@@H](C)c1nc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cs1 269878676 JVAXUQOCZKJCOH-STQMWFEESA-N 364.475 2.064 0 40 FEAB Cn1cc([C@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)CCO2)cn1 267550129 CBDAJLWCTKFIGK-KBXCAEBGSA-N 356.426 2.069 0 40 FEAB Cc1noc(C)c1C(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 286426310 NISBODRCPWBIOS-UHFFFAOYSA-N 369.443 2.108 0 40 FEAB COC[C@@]1(C)CN(c2nnc(-c3cn(C)c4ccccc34)n2C)CCO1 624803181 RJJCCPVQSBGSKJ-LJQANCHMSA-N 355.442 2.216 0 40 FEAB O=S(=O)(CCc1noc2ccccc12)N1CCO[C@H]2CCCC[C@H]21 631767929 XSADMOWLGYVOFD-WBVHZDCISA-N 350.440 2.344 0 40 FEAB O=C([C@@H]1OCC[C@@H]1c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 667423943 YSJIMROWVLZUQW-VAMGGRTRSA-N 358.482 2.272 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)[C@H]2C1 585106330 VYANZBQDNWLPAX-MOPGFXCFSA-N 369.509 2.448 0 40 FEAB CO[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1Cc1ccc(F)cc1 585277929 XWNPBNMBBWXKGC-SJLPKXTDSA-N 358.413 2.244 0 40 FEAB CCOc1cc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)ccc1O 12182533 KORNGSJCJUYUFD-UHFFFAOYSA-N 370.453 2.033 0 40 FEAB O=C1NC2(CCN(CC(=O)N3CCCCCC3)CC2)Oc2ccccc21 12183473 UCQFBLOXRFSAAE-UHFFFAOYSA-N 357.454 2.004 0 40 FEAB Cc1ccc(C(=O)N2CCc3nc4c(C)csc4c(=O)n3CC2)cn1 13227217 RTFFRGZYHMODFQ-UHFFFAOYSA-N 354.435 2.168 0 40 FEAB O=C(Nc1ccccc1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701031 LVGYZUQZMZNHNZ-UHFFFAOYSA-N 363.425 2.356 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 14105897 ZJRFZOXIRZFDRC-UHFFFAOYSA-N 365.499 2.287 0 40 FEAB Fc1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1 15786724 DIOXDQAHALMLQC-UHFFFAOYSA-N 352.417 2.469 0 40 FEAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1ccc(F)c(F)c1)CC2 19292960 RVECCIUFHFMGNB-UHFFFAOYSA-N 355.348 2.063 0 40 FEAB C[C@@H](CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 19455325 STXWLTPUALOHSZ-MAUKXSAKSA-N 368.485 2.366 0 40 FEAB CCc1nc(S/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)O)n[nH]1 209156577 PPHNZUHZSFGKSO-XFFZJAGNSA-N 351.384 2.308 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 19211455 JVJTWNKANGTUIX-GOSISDBHSA-N 372.494 2.299 0 40 FEAB CC(=O)N1CCN(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 9319147 UGLZPOMRTLUZOY-UHFFFAOYSA-N 372.494 2.272 0 40 FEAB Cc1nccc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888881948 WHPSCDYMEPRQFD-ZDUSSCGKSA-N 351.414 2.005 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2C1 1888901074 WQSXFPCEFKUQEH-HZPDHXFCSA-N 373.478 2.305 0 40 FEAB CN(C)[C@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccsc1 25814428 ORFJTBWXESYCOH-MRXNPFEDSA-N 360.483 2.012 0 40 FEAB O=C([C@H]1CN(c2nc3ccccc3[nH]2)CCO1)N1CCC(F)(F)CC1 2086964125 SRYOLJPLCYUUHX-CQSZACIVSA-N 350.369 2.026 0 40 FEAB Cc1cc(C)cc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1 4347052 RUTKUVUHAYKGHD-UHFFFAOYSA-N 361.452 2.202 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 4940777 LUXOCJGYSMPSIY-ZDUSSCGKSA-N 358.419 2.475 0 40 FEAB COCCNC(=O)Cn1c(CO)cnc1SCc1ccccc1Cl 9827566 CWRJWTTZTIROFF-UHFFFAOYSA-N 369.874 2.084 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(CC2CCOCC2)CC1 2055750963 RRGKFDOQZLYLOU-UHFFFAOYSA-N 361.486 2.114 0 40 FEAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cccnc2)C1 2055754592 GUWTZBLFRUGTIQ-HXUWFJFHSA-N 352.438 2.257 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccn2)CCO3)cn1 2055835210 MAEHMOMFXRTULC-UHFFFAOYSA-N 366.465 2.292 0 40 FEAB CN1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccc(F)cc2)CC1 22783036 KDUWQRFJUOTGGD-FQEVSTJZSA-N 371.456 2.309 0 40 FEAB O=C(NCc1ccc(C(=O)c2cccs2)s1)C(=O)Nc1ccon1 206678076 IPYRAJHZWGJPNS-UHFFFAOYSA-N 361.404 2.284 0 40 FEAB Cc1nc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)c2ccncc2n1 2086865247 ZWLWSHMYAULJLO-ZIAGYGMSSA-N 350.401 2.440 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn([C@H]2CCOC2)c1 211124960 WNQLSUQIPOOKRJ-KBPBESRZSA-N 350.419 2.183 0 40 FEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)Cn2ccc3ccccc32)C1 3999814 IFMBCKPKASNHBO-QXAKKESOSA-N 363.461 2.283 0 40 FEAB biogenic Cn1cnn(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1=S 40083004 RCSOEVLOQPQFIS-UHFFFAOYSA-N 351.863 2.020 0 40 FEAB CCn1cnnc1CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 40113388 LYQIYGSHAVWNQP-UHFFFAOYSA-N 358.377 2.126 0 40 FEAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(=O)[nH]c2ccccc12 31033727 QWCPDPOGQMAHPM-UHFFFAOYSA-N 365.389 2.156 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccc(Cl)c4Cl)C(=O)[C@H]13)O2 100745412 RRDTTXDOBVEPKD-YRORDHRNSA-N 354.189 2.360 0 40 FEAB COc1ccc(CNC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 32106465 WDTXPCGZPDOPOR-UHFFFAOYSA-N 373.430 2.125 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C2=NN=C(N[C@@H](C)COC)SC2)c1C 101594634 JYTHMDGAMKTFDE-VIFPVBQESA-N 352.460 2.240 0 40 FEAB Cc1nc(COc2ccccc2C(=O)O[C@H](C(N)=O)c2ccccc2)no1 21581606 GIHGTPIXOWGSAH-KRWDZBQOSA-N 367.361 2.340 0 40 FEAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC[C@H]1CCCO1 32946337 GIHZPHDHVZCRRW-SMDDNHRTSA-N 364.446 2.397 0 40 FEAB COC(=O)c1ccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 21885745 XOGPCBGDMJWLCP-UHFFFAOYSA-N 372.421 2.261 0 40 FEAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3O)CC2)C1=O 21816866 QMEMEHKQAXVOTN-SFHVURJKSA-N 365.433 2.155 0 40 FEAB COC(=O)/C=C1/SCC(=O)N1CCCN(C)c1ccc(F)c(F)c1 103730347 CQVBJUQXEAHIHB-OQLLNIDSSA-N 356.394 2.381 0 40 FEAB O=c1[nH]c(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc2ccc(F)cc12 53856238 FTYKPUQFBZOQHS-UHFFFAOYSA-N 359.382 2.170 0 40 FEAB COC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 715308 OKZCTSDVFSPKPG-UHFFFAOYSA-N 352.346 2.098 0 40 FEAB CNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 880074 YANOPWQDSYZWSP-OAHLLOKOSA-N 361.467 2.022 0 40 FEAB Cn1c(SCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 3507191 WPCQDEHQCQUEBO-UHFFFAOYSA-N 365.414 2.322 0 40 FEAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)CC1 6680674 URSYRFYMGPXPHG-UHFFFAOYSA-N 355.441 2.409 0 40 FEAB CN(CC(=O)N1CCCC1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56490239 KDOJCXPHFYMQTM-IBGZPJMESA-N 373.453 2.173 0 40 FEAB CCOC(=O)N1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 57126668 MEDRNWSNIFNHFK-UHFFFAOYSA-N 370.388 2.209 0 40 FEAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)Nc2cc(C)on2)c1 12538550 QNFRLMUBPNZEBA-UHFFFAOYSA-N 372.410 2.253 0 40 FEAB NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 44556277 SVZIXDSOXWILDU-JTQLQIEISA-N 351.241 2.090 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 101779792 YMLVJQDQZDAEFW-PDOICOKGSA-N 368.518 2.353 0 40 FEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cnn2cccnc12 58210880 VFUNNSJLQKZLJK-UHFFFAOYSA-N 358.785 2.198 0 40 FEAB O=C(Nc1cccc(N2CCOC2=O)c1)NC1(CO)Cc2ccccc2C1 72288980 PSKRGLNARYWDCG-UHFFFAOYSA-N 367.405 2.295 0 40 FEAB CCn1c(S[C@H](C)C(N)=O)nc2ccc(Br)cc2c1=O 36810842 XUPPKORCXJDHPK-SSDOTTSWSA-N 356.245 2.145 0 40 FEAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2ccco2)CC1 37178555 MVVXYDMYJFNSKB-GFCCVEGCSA-N 362.817 2.113 0 40 FEAB COc1cc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1C 12678117 BXERIMBQNKMBEK-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB COCCN1C[C@H](c2cc(O)n3nc(-c4ccccc4)c(C)c3n2)CC1=O 100775828 APGKGOIMURUKER-OAHLLOKOSA-N 366.421 2.373 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)cc1 3443743 MUXALZUOJJDGRC-UHFFFAOYSA-N 360.435 2.457 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600986 GGNHGADYOUOXSG-VLIAUNLRSA-N 355.438 2.171 0 40 FEAB O=C(Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12)c1cccs1 9319684 KHEZZEZIIABEMQ-UHFFFAOYSA-N 367.390 2.310 0 40 FEAB Cc1ccc(NC(=O)OCC(C)C)cc1S(=O)(=O)N1CCOCC1 13986208 RBSZYBVHWUPMSC-UHFFFAOYSA-N 356.444 2.220 0 40 FEAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccccc2F)OC(N(C)C)=N1 4536098 QPGMLESNMYGERB-AWEZNQCLSA-N 361.295 2.342 0 40 FEAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1c[nH]c3ccccc13)C2=O 14227798 BBFFFRRLPSJCDW-UHFFFAOYSA-N 354.410 2.242 0 40 FEAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 5633587 YZVHDGCFHFVNSM-LBPRGKRZSA-N 359.353 2.345 0 40 FEAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6886163 BRTYJDSYDDGXMH-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 4988556 HPDFRBXUSVSTGR-LBPRGKRZSA-N 355.394 2.292 0 40 FEAB CSc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 7118933 NURAZIQMUNXKCR-UHFFFAOYSA-N 355.419 2.441 0 40 FEAB CC(C)(CNC(=O)CN1CC=C(c2ccccc2)CC1)N1CCOCC1 7647411 SWYUSJDNSVLSHP-UHFFFAOYSA-N 357.498 2.003 0 40 FEAB O=C(NCCOc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 8150646 QVSJZTGHTVOSPV-MRXNPFEDSA-N 356.397 2.369 0 40 FEAB CCOC(=O)CCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 9689826 AUIMZABTNHXAEJ-UHFFFAOYSA-N 365.411 2.321 0 40 FEAB COC(=O)c1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc1 9689426 KVYODAVKAHJEJA-UHFFFAOYSA-N 353.382 2.099 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 8538192 ZBXOHRJMJRAWPX-UHFFFAOYSA-N 369.421 2.255 0 40 FEAB CC(=O)N(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2CC(C)C)cc1 95961855 MFNYVFJVFCHIFA-MRXNPFEDSA-N 354.472 2.105 0 40 FEAB CCn1c(=O)n(CC(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)c2ccccc21 75094487 CSXLVBXKNQXEPO-MRXNPFEDSA-N 373.453 2.156 0 40 FEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 75148713 GTIPSEZLQNBSLM-SJORKVTESA-N 370.449 2.321 0 40 FEAB O=C(Nc1ccccc1-n1ccnn1)N1CCN(Cc2cccnc2)CC1 89814149 HYFIYVZCHFCSRQ-UHFFFAOYSA-N 363.425 2.012 0 40 FEAB C[C@@]12COC[C@H]1CN(C(=O)c1nc(-c3ccccc3)n3c1COCC3)C2 1550687053 HZROPUIFKIIBCK-FOIQADDNSA-N 353.422 2.189 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 30915484 RZKHDLIEBIYBNK-HNNXBMFYSA-N 365.499 2.287 0 40 FEAB Cc1cc(N2CCC(C(=O)NCc3cccs3)CC2)n2ncnc2n1 35310936 CADUIMMDUAPHBG-UHFFFAOYSA-N 356.455 2.027 0 40 FEAB O=C(c1c(F)cccc1F)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101262 SBXWYJSFNTVVIQ-UHFFFAOYSA-N 370.359 2.211 0 40 FEAB CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c1 40162337 LHMBBLYSXFOQBR-YHJVDBJQSA-N 359.422 2.046 0 40 FEAB Cc1ccc(-c2csc(NC(=O)CN(C)S(C)(=O)=O)n2)c(C)c1 46145662 OOMQYODBHHCOLE-UHFFFAOYSA-N 353.469 2.257 0 40 FEAB C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919205 QMSYNJZOWXEGHN-MRXNPFEDSA-N 372.440 2.284 0 40 FEAB CNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225837155 LDOLUCAOZYFIFW-UHFFFAOYSA-N 357.151 2.020 0 40 FEAB COc1cn(C)c(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)cc1=O 85431161 QBQLFUSKPRJLRB-UHFFFAOYSA-N 352.394 2.449 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)s1 330898884 PLOAOODYWLRMHZ-UHFFFAOYSA-N 368.455 2.229 0 40 FEAB CCS(=O)(=O)N1CC[C@]2(COCc3c(C)nc(-c4ccccc4)nc32)C1 96244700 CQZYEJRUCZXVKO-LJQANCHMSA-N 373.478 2.275 0 40 FEAB Cc1cccc(N2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)n1 96083710 SMWYQBHFKGKOKB-UHFFFAOYSA-N 368.485 2.400 0 40 FEAB Cc1ccc(CN2CCOC3(CCN(C(=O)[C@@H]4CCOC4)CC3)C2)cc1 96158892 HBBHILJXEGDWJT-LJQANCHMSA-N 358.482 2.225 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCc2ccncc2)C1 247860778 MPKCZPFJSXNJEZ-GOSISDBHSA-N 352.394 2.041 0 40 FEAB C[C@@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@@H]2C(=O)N1[C@H](CCc1ccccc1)C(=O)O 252514827 DZRWPCCIYKIPJW-PLLDYVMSSA-N 370.449 2.073 0 40 FEAB COCc1nocc1C(=O)N1CCC[C@H](CN(C)Cc2cccnc2)C1 585085495 GDWXAONPYUPKFO-MRXNPFEDSA-N 358.442 2.200 0 40 FEAB Cc1nc(C[C@@H]2CCCN(Cc3cscn3)C2)cc(C(=O)N(C)C)n1 257200507 ADPMOEDRAIMAJY-AWEZNQCLSA-N 359.499 2.398 0 40 FEAB O=C(c1cscn1)N1CCC[C@H](c2nccnc2Nc2cnccn2)C1 257216978 CWYSHMYUHFQGKE-LBPRGKRZSA-N 367.438 2.487 0 40 FEAB COCCC(=O)N1CCO[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 257227306 FOQYRWIYZWLMJR-INIZCTEOSA-N 356.426 2.465 0 40 FEAB COc1cccc(CC(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)c1 257269235 MPDQKHTWILBRLI-QWFCFKBJSA-N 357.454 2.356 0 40 FEAB O=C(Cc1cscn1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 668275348 YCIDAEGGAIUGIB-OAHLLOKOSA-N 373.434 2.404 0 40 FEAB O=C(O)[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@@H]1C1CC1 1615208127 BCSLVXXERARPBA-OLZOCXBDSA-N 361.822 2.352 0 40 FEAB CN1CCc2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)ccc2C1=O 618086354 PWVGFSZTRDDEHE-OAHLLOKOSA-N 369.465 2.434 0 40 FEAB O=C(O)Cn1cc(CCN2CCC[C@H](c3ccc(F)c(F)c3)C2)nn1 629363620 GNOURGKXWRELKK-ZDUSSCGKSA-N 350.369 2.063 0 40 FEAB Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 585104696 RIKBTHFFNLBLTA-FQEVSTJZSA-N 352.438 2.041 0 40 FEAB O=c1cc(N2CCC(S(=O)(=O)c3ccccc3)CC2)nc2ccccn12 1776009386 YGSQUUDFPSSTAJ-UHFFFAOYSA-N 369.446 2.137 0 40 FEAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(Br)c1 96375445 REGPJKCFLSDKEJ-FUNVUKJBSA-N 373.272 2.024 0 40 FEAB CC[C@@H]1CN(C(=O)c2cccs2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594895 FABVXAAYOOEQHQ-QBPKDAKJSA-N 366.527 2.318 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146229 YKHQXHVNESJNKA-QILLFSRXSA-N 369.465 2.333 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccccc4F)CC3)ccc21 12238815 PAUAHWGVPWWYSB-UHFFFAOYSA-N 362.382 2.238 0 40 FEAB CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C 14229676 KLAXYTGBRQTHJG-UHFFFAOYSA-N 367.471 2.358 0 40 FEAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCO2 15521167 MMOGHURVSXAQAJ-QGZVFWFLSA-N 355.394 2.044 0 40 FEAB O=C(c1n[nH]c2c1CCCC2)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19292255 RSHSURJBEFSGAG-QGZVFWFLSA-N 366.469 2.092 0 40 FEAB COc1cccc(CN2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1 19564756 WPUOMNADQGZNGS-INIZCTEOSA-N 354.454 2.368 0 40 FEAB Cc1sc(NS(C)(=O)=O)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19951948 DXPRCNAVFWGHKG-SSDOTTSWSA-N 353.425 2.209 0 40 FEAB COc1cccc(/C=N/NC(=O)CC#N)c1OCc1ccc(C(=O)O)cc1 8169012 YQPFNXJAEKMEDU-SRZZPIQSSA-N 367.361 2.336 0 40 FEAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@@H]2C(C)C)cc1OC 551915968 NJKMCTCDQHAMFH-WBMJQRKESA-N 371.455 2.132 0 40 FEAB O=C(c1cn[nH]c1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888849691 JORHQGJOSVFHBG-VXGBXAGGSA-N 351.332 2.032 0 40 FEAB Cc1cccc(CN2CCC3(CCN(C(=O)C4CC(O)C4)CC3)C2=O)c1 1565552210 WLBCAQGPJIHGHT-UHFFFAOYSA-N 356.466 2.107 0 40 FEAB CS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136808 VVQBWDYZZVBXMP-UHFFFAOYSA-N 366.464 2.200 0 40 FEAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C4CCCC4)cnc32)cc1C 10251887 JFUAQGJFPZNYBK-UHFFFAOYSA-N 351.410 2.459 0 40 FEAB Cc1nn(C(=O)C2CC2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 15865211 BAIUWCYEBDRISZ-UHFFFAOYSA-N 359.451 2.297 0 40 FEAB CS(=O)(=O)NCC1CCC(C(=O)NCc2ccccc2Cl)CC1 38488596 OWPXUDMDQNSNDP-UHFFFAOYSA-N 358.891 2.312 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@@H](Oc3nccnc3OC)C2)c1 225493987 WFFOQIKZMSUNLT-MRXNPFEDSA-N 357.410 2.106 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCC(F)(F)F)n2)cc1 44213876 MJZPVQBABLUZEM-SNVBAGLBSA-N 355.316 2.158 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccco3)cn2)c1C 49407449 PZNYJHTZWAFMDP-UHFFFAOYSA-N 354.366 2.275 0 40 FEAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccccc1Cl 10254194 ACYXUUANNQWWTI-UHFFFAOYSA-N 371.780 2.440 0 40 FEAB O=C(CCc1ccc2c(c1)OCO2)NCc1nc(-c2cccnc2)no1 31658973 PABVYOGGSLGYEG-UHFFFAOYSA-N 352.350 2.109 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 40023705 DFYHJQOXMQWVCI-UHFFFAOYSA-N 369.421 2.280 0 40 FEAB CCN(C(=O)c1ccc(S(=O)(=O)NCCOC)cc1)C1CCCCC1 30476027 KXNXMTFRBCFJBH-UHFFFAOYSA-N 368.499 2.406 0 40 FEAB CCOC(=O)C1=C(Cn2c(C(F)(F)F)nc3ccccc32)NC(=O)NC1 31818081 XKAFGXNSHVDOHS-UHFFFAOYSA-N 368.315 2.185 0 40 FEAB COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1 51541533 GMUZJDIODYTASH-UHFFFAOYSA-N 356.378 2.335 0 40 FEAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2F)C1=O 41098359 UEAUQGLSAJMAPJ-JTQLQIEISA-N 353.369 2.253 0 40 FEAB Cc1ccc(-c2cnc(CCC(=O)NCCN3CCOCC3)o2)cc1C 22690208 OLYONMZQHASPFY-UHFFFAOYSA-N 357.454 2.339 0 40 FEAB Cc1ccc(N2C(=O)c3sc4nc(=O)c(C)nn4c3C2=O)cc1Cl 954376 BYJAEOXCWWDHJQ-UHFFFAOYSA-N 360.782 2.222 0 40 FEAB COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1OC(F)F 23641576 XHSCJAUTGSUBKJ-UHFFFAOYSA-N 358.385 2.137 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 54864939 ZRMZKIIEHDTKNJ-KUHUBIRLSA-N 354.406 2.269 0 40 FEAB c1ccc(-n2nnnc2SCSc2nnnn2-c2ccccc2)cc1 1100783 ITYQPHYYWDPLSL-UHFFFAOYSA-N 368.451 2.480 0 40 FEAB COc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2)cc1OC 3626810 NKHJAXSFYRFXTD-HNNXBMFYSA-N 359.378 2.415 0 40 FEAB COc1cccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)c1 10449770 DPAMDJVKKKZXLS-CQSZACIVSA-N 374.462 2.439 0 40 FEAB CNC1(c2nnnn2-c2cccc(C(=O)OC)c2)C2CC3CC(C2)CC1C3 35622666 SAZOQZFYYHFPCE-UHFFFAOYSA-N 367.453 2.320 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(F)cc1 58183147 NEDACDLPYGGWCS-OAHLLOKOSA-N 363.476 2.019 0 40 FEAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F 9109759 IGCFWHRVLUAMOM-LBPRGKRZSA-N 363.317 2.318 0 40 FEAB CC(C)[C@H](C(=O)NCc1ccc(Cn2cccn2)cc1)N1CCCC1=O 58143322 VHOSBFZFNCQTLZ-LJQANCHMSA-N 354.454 2.195 0 40 FEAB C[C@H](Cc1ccsc1)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 58208922 PQCZLHXXCVSBIT-GFCCVEGCSA-N 370.471 2.303 0 40 FEAB CCOCCOc1c(Cl)cccc1NC(=O)CN1CSCC1=O 58215304 NEVGKVZZCOEGAF-UHFFFAOYSA-N 358.847 2.227 0 40 FEAB Cc1c(S(=O)(=O)NCc2ccccc2N2CCC[C@@H](C)C2)cnn1C 54993623 OJMPKBDANPSJKK-CQSZACIVSA-N 362.499 2.443 0 40 FEAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1cnccn1 2457381 AVRRCVHBNUQKAU-UZLBHIALSA-N 374.485 2.325 0 40 FEAB CCC(=O)Oc1sc(NC(=O)/C=C\C(=O)O)c(OC(=O)CC)c1C 101280661 VMGDOTPKCYFUEE-SREVYHEPSA-N 355.368 2.267 0 40 FEAB Cc1nccn1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 29937834 GDJPWKJRPQQKAK-UHFFFAOYSA-N 350.304 2.430 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620733 LOIPLWAYKJCXIZ-XEZPLFJOSA-N 365.311 2.186 0 40 FEAB Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(C)o1 48273123 WTVLYHPFQFOPFE-SFHVURJKSA-N 355.438 2.142 0 40 FEAB Cc1cc2nnc(S(=O)(=O)CCO[C@H]3CCCC[C@H]3C)n2c(C)n1 48285614 SUOFEYSUKAWCKQ-RISCZKNCSA-N 352.460 2.110 0 40 FEAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1 3496749 QXUUTORAMMPEJC-UHFFFAOYSA-N 360.399 2.088 0 40 FEAB CN(Cc1ccccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 96000002 JCDIMEQLMPWADE-GOSISDBHSA-N 373.478 2.148 0 40 FEAB COc1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc2c1OCCO2 13428354 XLTUPGWPZURJRC-UBHSHLNASA-N 361.394 2.324 0 40 FEAB Cc1cccnc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9315650 AEKLDFFINUIAIR-FQEVSTJZSA-N 364.405 2.112 0 40 FEAB O=C(Cc1ccc2c(c1)OCCCO2)N[C@@H](Cc1ccccc1)C(=O)O 96221226 CLVNQSLNSZESJY-INIZCTEOSA-N 355.390 2.203 0 40 FEAB biogenic COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cc(Cl)ccn3)nc2c1 14022785 AFUFSWFUHDEMDI-UHFFFAOYSA-N 373.752 2.115 0 40 FEAB CN(CC(=O)N1CCc2sccc2C1)Cc1nc2ccccc2c(=O)[nH]1 14161637 QUEFIOJMKCPYLN-UHFFFAOYSA-N 368.462 2.001 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)on1 14153526 BFAQOPULGGQZMZ-BXKDBHETSA-N 361.329 2.118 0 40 FEAB CC(C)c1n[nH]c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n1 14201948 BWPARVRGOSSIQE-UHFFFAOYSA-N 369.397 2.053 0 40 FEAB COc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 5451419 TVJFRLANZQSWLM-UHFFFAOYSA-N 372.406 2.398 0 40 FEAB CCc1ccc(-n2c(O)nc3nc(NCc4ccccn4)ncc3c2=O)cc1 67263596 AHHLDSKWCRXSQF-UHFFFAOYSA-N 374.404 2.451 0 40 FEAB CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 7085778 DUQFKEQNDQOXRS-ZDUSSCGKSA-N 365.389 2.067 0 40 FEAB O=C(CSc1cc(F)ccc1F)N1CCN(c2ncccn2)CC1 7308399 QTNYOAGTEPBUBN-UHFFFAOYSA-N 350.394 2.196 0 40 FEAB Cc1sc2ncnc(SCC(=O)N3CCCC[C@@H]3C(N)=O)c2c1C 7480538 ZSMQLIQKIGBNPB-LLVKDONJSA-N 364.496 2.267 0 40 FEAB CN(CC(=O)NC1CC1)C(=O)COc1ccc2oc3c(c2c1)CCCC3 7740450 RSAJOPOBNUSRBX-UHFFFAOYSA-N 356.422 2.427 0 40 FEAB COc1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc2c1OCCO2 7939303 ASSUDLOJJVHJDZ-GFCCVEGCSA-N 363.410 2.461 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2cccnc2)C1 70037465 GILIYRGIWXEMCL-ZWKOTPCHSA-N 367.449 2.250 0 40 FEAB O=C(c1nn(-c2ccccc2)cc1CCCO)N(C[C@@H]1CCOC1)C1CC1 95451462 IWPVCNWGBNDEFW-INIZCTEOSA-N 369.465 2.438 0 40 FEAB CC(C)NC(=O)NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 8757050 FWFMZGXCFXUCMS-UHFFFAOYSA-N 370.434 2.359 0 40 FEAB O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@@H](c2nc[nH]n2)C1 72313788 IMAAKESBTSUNDF-SNVBAGLBSA-N 355.320 2.161 0 40 FEAB CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ncccn2)c1 95995665 RILNHBLBUDBZEC-UHFFFAOYSA-N 357.233 2.106 0 40 FEAB Cn1cc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)cn1 306134703 NVOCTNFXUNXZKN-OAQYLSRUSA-N 360.465 2.374 0 40 FEAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)N(C)C 27946852 XNYKMAXHDVLIPR-UHFFFAOYSA-N 368.286 2.450 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1 408626702 VXWQOOUDSFWAHQ-AWEZNQCLSA-N 354.472 2.011 0 40 FEAB COc1cc(C(=O)OCC(=O)NCc2cccc(C)c2)cc(OC)c1OC 67197534 XLYRQQWWDNEQAT-UHFFFAOYSA-N 373.405 2.494 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1C 408622435 NQBSJPZNOAMDFH-AWEZNQCLSA-N 354.472 2.073 0 40 FEAB CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36618937 YZLXLRLLNWZJPR-ZDUSSCGKSA-N 361.409 2.499 0 40 FEAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217521445 VHWUQCPKGVSWQP-LBPRGKRZSA-N 358.460 2.156 0 40 FEAB CCOC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 36662989 HLDZJDHBNJZUGU-LLVKDONJSA-N 373.477 2.004 0 40 FEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CO)cc1 218486127 PMOJBOQRGQXDHQ-ZACQAIPSSA-N 351.855 2.278 0 40 FEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(=O)O)cc1 45896181 GVPZJLVCBAYVRM-AWEZNQCLSA-N 357.370 2.004 0 40 FEAB C[C@@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1nnc2n1CCCC2 527825572 XIGTWXYSUBYTDU-GDBMZVCRSA-N 360.506 2.382 0 40 FEAB O=C(O)CCC(=O)NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 96269358 VACLVQLCCTYGMD-ZDUSSCGKSA-N 363.801 2.083 0 40 FEAB biogenic,in-vitro O=C1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCN1CC(F)(F)F 585082625 TWYDIYKPYYSFJI-UHFFFAOYSA-N 366.343 2.058 0 40 FEAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 248157347 WBJDEQULGOTBSA-QGPMSJSTSA-N 359.495 2.272 0 40 FEAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1 257303833 SIXLPZBWVIVMRI-AWEZNQCLSA-N 370.428 2.129 0 40 FEAB COc1ncccc1C(=O)N1CCC2(CC(Nc3cc(C)ncn3)C2)C1 257311616 UKHXVMVPEUFAGS-UHFFFAOYSA-N 353.426 2.295 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccnc(-c2cncnc2)c1 257312690 UPCUKQXFTCQERQ-INIZCTEOSA-N 362.389 2.451 0 40 FEAB O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cccc2c1OCCO2 252550547 SRWCASFQUXLGFM-HDJSIYSDSA-N 355.394 2.368 0 40 FEAB Cc1nn(C)c2nc([C@@]3(C)CCCN(C(=O)c4cnccn4)C3)ccc12 257341256 ZJNZMIIBQODDQO-IBGZPJMESA-N 350.426 2.261 0 40 FEAB CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2cnc[nH]2)Cc2ccccc21 594811571 ZZZCZQREKBQHBB-AWEZNQCLSA-N 363.439 2.040 0 40 FEAB CS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc1 671426743 WMVFELCEWNHLKV-ABAIWWIYSA-N 354.378 2.076 0 40 FEAB CCOCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 298090740 HNOKKPVUZXHNJI-UHFFFAOYSA-N 354.450 2.478 0 40 FEAB O=S(=O)(N1CC2(C[C@H](OCc3ccncc3)CS2)C1)C(F)(F)F 575402959 GBSLVHADSWOYKD-NSHDSACASA-N 368.402 2.008 0 40 FEAB CO[C@@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Cc1ccc(C)cc1 585280225 CZBHATOAMAUTKM-RTBURBONSA-N 358.482 2.414 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)NC[C@H]3CCC[C@@H](C)O3)CC2=O)c1 685938988 SNRMEDWJRHDBEE-CKEIUWERSA-N 361.442 2.057 0 40 FEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(F)c1 12114433 HLXFDOZDBXXQLU-MCPYQZEQSA-N 358.417 2.012 0 40 FEAB CC(C)(C)NC(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 12145248 FXSFNEXPYVAWCO-UHFFFAOYSA-N 355.442 2.256 0 40 FEAB COc1cc(C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc(OC)c1OC 13614521 ATFHLWPIZRGCMW-UHFFFAOYSA-N 373.369 2.057 0 40 FEAB Cc1nc(NC(=O)[C@H](C)N2CCN(C3CCCC3)C(=O)C2)sc1C 19656856 AGNKQXXUMVGQTL-LBPRGKRZSA-N 350.488 2.174 0 40 FEAB CC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935180 WVYZJYZTNANAQH-LBPRGKRZSA-N 374.890 2.418 0 40 FEAB Cn1ncc2c(N3CCC[C@H](c4nnc5n4CCCCC5)C3)ncnc21 11606938 DJUHTTZXIBKBFH-ZDUSSCGKSA-N 352.446 2.065 0 40 FEAB CN(C(=O)Cc1ccc(F)cc1F)C1CN(c2cc3c(nn2)CCC3)C1 1888860220 XWBSWHHNKAZZDZ-UHFFFAOYSA-N 358.392 2.133 0 40 FEAB COc1nccnc1N(C)CC1CCN(c2ncnc3cnccc23)CC1 1888879484 NHVFMKDLQAARCQ-UHFFFAOYSA-N 365.441 2.176 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cnccn3)CC2)CN1c1cccc(F)c1 2037840593 ODZFNHJPZARMAS-FQEVSTJZSA-N 370.428 2.404 0 40 FEAB COC(C)(C)C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840808 RUWQRAOYOZTLCN-HXUWFJFHSA-N 360.454 2.226 0 40 FEAB COc1cnccc1C(=O)N1CCc2ncnc(-c3cccnc3)c2CC1 1565554333 OTRKYAGSCHOEFE-UHFFFAOYSA-N 361.405 2.183 0 40 FEAB COCCN1CCCC2(CCN(C(=O)c3ccc(COC)cc3)CC2)C1=O 1565554703 DUSFBTAVVPGFMC-UHFFFAOYSA-N 374.481 2.324 0 40 FEAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1 390829631 FONUTVDBSNRDRU-UHFFFAOYSA-N 374.485 2.258 0 40 FEAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N[C@H](C)CN(C)C)n2)c1 12163653 JPSHSXKUUXDZIA-XOKHGSTOSA-N 371.485 2.023 0 40 FEAB O=C(CCn1cc(Br)cn1)Nc1cc(-c2ccncc2)n[nH]1 72255854 CITOYUVAYPSSBK-UHFFFAOYSA-N 361.203 2.460 0 40 FEAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccccc1 35483575 IPZAWMMTSMPYJQ-UHFFFAOYSA-N 369.450 2.482 0 40 FEAB CCCNC(=O)C1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 52492900 JPOFZWTVEDRAEX-UHFFFAOYSA-N 357.498 2.420 0 40 FEAB CC(=O)OCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 726463 NOGAWELXNGZLCE-NTFDOXNWSA-N 361.397 2.442 0 40 FEAB Cc1cc(CN2CCN(C(=O)c3cc(Br)cn3C)CC2)no1 73118645 CQFPYLSWRJXZRF-UHFFFAOYSA-N 367.247 2.042 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)cc(C)c1C 24068865 GXVVYRJDSMKZGW-UHFFFAOYSA-N 350.440 2.385 0 40 FEAB CCc1c(C(=O)NCC(=O)NCc2ccco2)cnn1-c1ccc(F)cc1 24630577 DWIWMYVGRBRTNB-UHFFFAOYSA-N 370.384 2.213 0 40 FEAB COC(=O)Nc1cccc(C(=O)OC[C@H]2CNC(c3ccccc3)=NO2)c1 79063096 YBCOGVFQMLCGSD-MRXNPFEDSA-N 369.377 2.372 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140093 HLPWLINRRWMYGI-DVOMOZLQSA-N 365.311 2.186 0 40 FEAB CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]2[C@H](O)CC(=O)[C@]12C 4900025 NVWSHXGIQXQTBM-WVXHOXGTSA-N 364.438 2.038 0 40 FEAB NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 1454364 BIXWKKYWZKYFRF-UHFFFAOYSA-N 360.416 2.161 0 40 FEAB O=C1CC[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]2N1C1CC1 95449622 DHCVOWUBYPGASX-BZNIZROVSA-N 370.421 2.129 0 40 FEAB Cc1cc(C)cc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 55526733 PXSAQWVKJPOUQI-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB COc1ccc([C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 26908169 YWIVKMNNTUMTSJ-HNNXBMFYSA-N 361.442 2.171 0 40 FEAB Cc1cccc(CCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 44839060 WOAUSZJEPYZLBJ-INIZCTEOSA-N 361.467 2.431 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)N1CCC[C@H](C)C1 58218200 DNEBEFYWJLSANR-ZDUSSCGKSA-N 355.438 2.424 0 40 FEAB O=C(Nc1ccncc1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58201373 BNQVDFPPMIKPGE-SJORKVTESA-N 362.389 2.294 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 58369249 OJLCFZDNYBAGOV-GJZGRUSLSA-N 369.508 2.217 0 40 FEAB Cc1nc(C2(NCC(=O)NC(=O)Nc3ccccc3)CCCCC2)no1 58214190 USTGPSWXCWKTPN-UHFFFAOYSA-N 357.414 2.475 0 40 FEAB COc1ccc([C@@H]2SCCN2S(C)(=O)=O)cc1Br 2203082 NYRMYQYVPVHNLD-NSHDSACASA-N 352.275 2.465 0 40 FEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cc(Cl)ccc1O 62001399 ZBVDBUSUXVOZLT-CYBMUJFWSA-N 359.769 2.125 0 40 FEAB biogenic CN(NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 48120261 FGOCBRNNIGGJTL-INIZCTEOSA-N 373.478 2.255 0 40 FEAB CCN1CCN([C@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)C)CC1 20139466 BKSTVQSJTNRDOX-QGZVFWFLSA-N 358.490 2.164 0 40 FEAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 12747076 GEDQBJJRRRDYNA-HNNXBMFYSA-N 366.414 2.047 0 40 FEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCO3)cc1 3313774 PXLXKDSTVROXBH-UHFFFAOYSA-N 362.407 2.031 0 40 FEAB CC(C)(CNC(=O)COc1cccc(Br)c1)N1CCOCC1 12854676 LZICNBMVFFFTBD-UHFFFAOYSA-N 371.275 2.055 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(F)cc1 20245198 DTGRRDSHNAXTTN-UHFFFAOYSA-N 369.393 2.216 0 40 FEAB Cc1cccc(OCC(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 3477018 YSAQAQWKUSWNNW-UHFFFAOYSA-N 370.405 2.258 0 40 FEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccccc1F 3563584 SAIUXSHTIRZKSO-LJQANCHMSA-N 353.353 2.158 0 40 FEAB COc1cc(N)c(Cl)cc1C(=O)OCc1cc(=O)n2ccsc2n1 3542725 ULHSVMGLMGYFNG-UHFFFAOYSA-N 365.798 2.357 0 40 FEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3503314 QQIKSNAWLGVHAQ-UHFFFAOYSA-N 362.213 2.357 0 40 FEAB CCCNC(=O)CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 8986412 BVQFFEVUVHKQBV-ZDUSSCGKSA-N 369.874 2.128 0 40 FEAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1cc(=O)n2ccccc2n1 12974646 KBIMWSNOEPEYDF-UHFFFAOYSA-N 351.362 2.435 0 40 FEAB C[C@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)C1 13095896 JXSQOONMPYBJJC-BETUJISGSA-N 358.891 2.465 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 5060892 TVXKLPBIZJENNK-ZDUSSCGKSA-N 368.389 2.458 0 40 FEAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2 13730603 DCMWXLRJTZCTGC-UHFFFAOYSA-N 351.362 2.056 0 40 FEAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1 14185226 ANKQOYXPZZIUTR-HUUCEWRRSA-N 360.454 2.494 0 40 FEAB Cc1ccc(NC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 5443745 WAZPSBLNJOYJOT-UHFFFAOYSA-N 374.462 2.197 0 40 FEAB Cc1cc(O[C@@H](C)C(=O)NCCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 5562870 CFYYCTMNMVXAMO-LBPRGKRZSA-N 373.405 2.338 0 40 FEAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 6627930 GQPCQBTVHZPQTM-SFHVURJKSA-N 357.366 2.030 0 40 FEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 5689494 OLBZEAWJQMNUQE-HXUWFJFHSA-N 370.453 2.336 0 40 FEAB CCn1cnnc1C1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 68487735 MOEGGIPAWWJEAW-UHFFFAOYSA-N 369.469 2.051 0 40 FEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C[C@H](C)O1 16229172 HLCZTLRNWUVAGV-STQMWFEESA-N 364.423 2.330 0 40 FEAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 81454538 GCOKYFOEJWYMKV-OIISXLGYSA-N 372.469 2.262 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2c(c1)nnn2CC 8072991 QJBORLIDZRJIKP-UHFFFAOYSA-N 371.466 2.291 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2ncc(C(C)(C)C)o2)CC1 71804924 TWVZTNLBUZWGGR-MRXNPFEDSA-N 362.518 2.491 0 40 FEAB COC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OC)c(OC)c1 8672648 MTNHKYDMODWZOI-BXKDBHETSA-N 367.448 2.480 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)O)C3)c(=O)oc2c1 8879755 KPZCAKUZBNZQRG-CYBMUJFWSA-N 373.405 2.366 0 40 FEAB biogenic COC[C@@](C)(O)CNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 72304504 WJEYTRFQXGDWQE-SFHVURJKSA-N 372.450 2.123 0 40 FEAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccccc2n1-c1ccccc1 84572829 IBXJWQXRGJWDDK-GUYCJALGSA-N 367.430 2.175 0 40 FEAB NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 84514521 KPHGCNDZTGVSAO-GFCCVEGCSA-N 361.829 2.280 0 40 FEAB COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccc2cc(OC)ccc2n1 95994177 SFXFETIYDUROSB-YOEHRIQHSA-N 358.394 2.036 0 40 FEAB COc1cccc(-c2cc3c(N4CCN(C(C)=O)CC4)nccn3n2)c1 67284851 IETQIIZKWDFTFF-UHFFFAOYSA-N 351.410 2.073 0 40 FEAB CN(C[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)O)C1)S(C)(=O)=O 517759434 WTTVZEVBFRYYHT-LBPRGKRZSA-N 374.890 2.142 0 40 FEAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 518985103 NKDCJHWSBXZOHT-QBPKDAKJSA-N 356.422 2.003 0 40 FEAB COc1ccc(CCC(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)cc1 72374066 IVOJFRIICUINDZ-KRWDZBQOSA-N 369.469 2.076 0 40 FEAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218399362 QBSMVEUEHCUFIK-JENIJYKNSA-N 359.447 2.195 0 40 FEAB C[C@H](C(=O)N(C)CC(=O)N1CCCCC[C@@H]1c1cccn1C)n1cccn1 120249876 XPKVGWNVQNYKOS-SJLPKXTDSA-N 371.485 2.385 0 40 FEAB CC(C)c1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)s1 44900931 MZVFLNSIILZXNY-LLVKDONJSA-N 359.411 2.390 0 40 FEAB COc1ccc(C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1OC 72393766 QNPXOQLXQNVNBU-UHFFFAOYSA-N 367.409 2.390 0 40 FEAB CNC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 42114416 UTRSNBICMOLELX-LBPRGKRZSA-N 356.378 2.223 0 40 FEAB CCc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 223977258 NVKTWJRGRPNKRJ-UHFFFAOYSA-N 363.435 2.378 0 40 FEAB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 225225631 HRPPRMOVWJEWBT-XJKSGUPXSA-N 356.488 2.401 0 40 FEAB CN1CCC[C@@](C)(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 225952961 SHSUDQGOXLRRGD-ZDUSSCGKSA-N 366.361 2.338 0 40 FEAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 222913286 FLSBYKBVVQCOIG-RHSMWYFYSA-N 350.434 2.494 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(F)c2)cc1F 225109572 JSTQLKJXJYTJTR-UHFFFAOYSA-N 357.334 2.253 0 40 FEAB COc1ccc(CCN(CC(=O)O)C(=O)c2ccccc2OC)cc1OC 225317235 HFJUILWSRHTOFH-UHFFFAOYSA-N 373.405 2.482 0 40 FEAB Cc1ccc2c(cnn2CCC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1 223189806 TZSJDQPSSMTISB-INIZCTEOSA-N 356.470 2.498 0 40 FEAB CC(C)CC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145358 UBQLOHGMIKXDIM-QZTJIDSGSA-N 364.511 2.485 0 40 FEAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cccc2c1OCCO2 238854683 JUVIVLVQWASFEK-OAQYLSRUSA-N 369.417 2.420 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccccc1)C2 96237894 DZWSOHWWBVBJNF-NRFANRHFSA-N 367.424 2.389 0 40 FEAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 96108499 MLPWBQRUEHEDGP-NQIIRXRSSA-N 351.450 2.268 0 40 FEAB Cc1cccc(Cl)c1N1CCN(S(=O)(=O)N(C)CC2CC2)CC1 585083767 IWSWXMXSJNHCLR-UHFFFAOYSA-N 357.907 2.357 0 40 FEAB CNC(=O)c1cnn2c([C@H]3CCCN3C(=O)c3cccs3)ccnc12 257247442 IZAWVVRCTQYGDR-GFCCVEGCSA-N 355.423 2.128 0 40 FEAB COCCC(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257204085 ASZSTXLHGBVUBJ-INIZCTEOSA-N 360.389 2.296 0 40 FEAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@@H](Cc2ccccc2)C1 1642331974 GCOXPXOSZJJOML-KRWDZBQOSA-N 365.437 2.040 0 40 FEAB COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C)c(Br)c1 643848612 IBJJORUERPLRTJ-HNNXBMFYSA-N 356.216 2.463 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c(F)c1 648430289 JQVZZPUFOGKEGQ-UGSOOPFHSA-N 357.385 2.179 0 40 FEAB C[C@@H](C(=O)Nc1ccc(NCc2cnc3n2CCC3)cc1)n1cncn1 657405123 BUJWCMKIKAIOSK-ZDUSSCGKSA-N 351.414 2.233 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)s1 96098135 AYXPIBPINODURN-CQSZACIVSA-N 371.505 2.293 0 40 FEAB CO[C@@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1ccccc1C 585291221 NLOHXKKZLFIYOY-HEPPIXLFSA-N 372.509 2.289 0 40 FEAB COCCNC(=O)C[C@H]1CN(Cc2scnc2C)Cc2cccn2C1 585099015 BAVMSLIPGIMMPX-HNNXBMFYSA-N 362.499 2.038 0 40 FEAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2Cl)on1 585267231 LSZZCJQTNWDUTH-XNRPHZJLSA-N 350.802 2.389 0 40 FEAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1 585271962 IXZBTKMTUNAGKQ-FQEVSTJZSA-N 357.454 2.310 0 40 FEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2nnsc2Cl)C1 548010073 GANUHUVBPKWVGY-ZDUSSCGKSA-N 357.892 2.194 0 40 FEAB C[C@@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)O 2076531 GCNMWPSHBPUACZ-HPUUJOOBSA-N 366.398 2.309 0 40 FEAB COc1cccc([C@H]2c3cc4c(cc3O[C@@H]3COC(=O)[C@@H]32)OCO4)c1OC 5941936 NUCFVLUQYPWOTM-SQNIBIBYSA-N 370.357 2.498 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cc(C)no2)C1 12118483 KTWYOBUHWPJXRN-CYBMUJFWSA-N 350.444 2.278 0 40 FEAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268228 BKNKMEBHKPVPTI-ZBFHGGJFSA-N 354.410 2.129 0 40 FEAB C[C@H]1CCCN(c2ncc(CN3CCC(N(C)CCN(C)C)CC3)cn2)C1 19496652 WHYSKFVBMQXQFZ-SFHVURJKSA-N 374.577 2.171 0 40 FEAB COc1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1Cn1cccn1 19576589 PAIJPEYJXARDNF-UHFFFAOYSA-N 365.437 2.302 0 40 FEAB Cc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1C 677621991 YXYUJTRTVYIOMF-AWEZNQCLSA-N 366.343 2.359 0 40 FEAB Cc1nc(N(C)CC2CN(c3cc(C(F)(F)F)ncn3)C2)nc(O)c1F 1888863551 OYTXGGURRFECGI-UHFFFAOYSA-N 372.326 2.011 0 40 FEAB c1ccc(CCCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889128271 NKUHBLATHASCTG-UHFFFAOYSA-N 367.497 2.068 0 40 FEAB O=C(c1ccccc1Br)N1CCC(N2C(=O)COC2=O)CC1 245070523 QNNGWWQRVXZDTK-UHFFFAOYSA-N 367.199 2.033 0 40 FEAB Cc1cccnc1C(=O)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056224159 KQUFCSXLDJRUFC-MRXNPFEDSA-N 354.479 2.275 0 40 FEAB CC(C)NC(=O)c1nnc2n1[C@]1(CC2)CCN(C(=O)[C@]2(C)CC=CCC2)C1 2055794526 ZCKZIBRIMPJJEQ-WOJBJXKFSA-N 371.485 2.037 0 40 FEAB CN(C(=O)[C@@H]1CC1(C)C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775970580 HCLQJJLUXUUGOO-AWEZNQCLSA-N 354.458 2.085 0 40 FEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C(C(=O)OC)=C(C)N2 100821704 FMCULZSCEHSUKM-LBPRGKRZSA-N 358.423 2.281 0 40 FEAB O=C(NCc1nc(C2CCOCC2)no1)c1cccc(-n2cccn2)c1 575618962 YCXBYFGPOLZWAG-UHFFFAOYSA-N 353.382 2.079 0 40 FEAB CC(=O)Oc1ccc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575611118 ALVQMVUVMOGPTQ-OAHLLOKOSA-N 361.785 2.349 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2nc(-c3ccc(N(C)C)cc3)no2)n1 20722336 WVWPITYCSMQHQR-UHFFFAOYSA-N 354.414 2.046 0 40 FEAB CCOC(=O)[C@](NCCc1ccc(F)cc1)(NC(=O)CC)C(F)(F)F 20840440 HPWASFPUEWMQAP-HNNXBMFYSA-N 364.339 2.306 0 40 FEAB O=C(NCCc1cn2ccccc2n1)[C@H]1CCCN(C(=O)c2ccco2)C1 21136226 KOGUXISIRRAUJW-HNNXBMFYSA-N 366.421 2.138 0 40 FEAB CCOC(=O)[C@H]1SC(SCc2cc(C(=O)OC)c(C)o2)=NC1=O 102860693 ZPJJHOAHXWLDGV-JTQLQIEISA-N 357.409 2.169 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1Cl 802848 JCEYFXBHDIKEHB-UHFFFAOYSA-N 364.810 2.432 0 40 FEAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 635223 ZOFLTUFFHFAUGT-AGCIHXOGSA-N 373.430 2.246 0 40 FEAB CCOC(=O)N1CCN(C(=S)Nc2ccc3nsnc3c2)CC1 780643 VBRUDWANHLZSJJ-UHFFFAOYSA-N 351.457 2.162 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC1CCCCC1 807104 CBDHKZSKTDCMAZ-UHFFFAOYSA-N 369.400 2.170 0 40 FEAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(F)(F)F 1095913 XJTBRXIFNDOQSK-UHFFFAOYSA-N 360.317 2.293 0 40 FEAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 1394743 DKLGJOHTHURBRM-UHFFFAOYSA-N 374.462 2.244 0 40 FEAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O 2397010 AHMOOBSBSYNVKZ-OAHLLOKOSA-N 357.332 2.364 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccccc2)c1 2684895 ZPZNGJBNZOVUDD-UHFFFAOYSA-N 370.405 2.330 0 40 FEAB CC[C@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O 3595265 DJQRNDMVIPQTKA-APPDUMDISA-N 351.834 2.412 0 40 FEAB COc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)o2)cc1 4496392 WVCTTZSCLFYIRJ-UHFFFAOYSA-N 373.390 2.158 0 40 FEAB Cc1cccc(N(CCCC(=O)NCc2ccco2)S(C)(=O)=O)c1 4986318 GHCGFSUHNQEUNS-UHFFFAOYSA-N 350.440 2.451 0 40 FEAB CC[C@@H](C)NC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 5302032 BHCCTECSZQFTJY-CYBMUJFWSA-N 356.426 2.214 0 40 FEAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)no1 6679615 UEBBIUHAAJOLEU-UHFFFAOYSA-N 355.441 2.390 0 40 FEAB Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3[C@H](c3cccs3)C2)c(=O)o1 6719499 UUGNVBGERQZVGQ-NSHDSACASA-N 370.390 2.125 0 40 FEAB Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C1CC1 6993297 ZKCUMXYLZIYWMJ-UHFFFAOYSA-N 373.482 2.489 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)Nn1cnc2sccc2c1=O 8326501 PKKIZGAJSHYHMM-UHFFFAOYSA-N 367.390 2.036 0 40 FEAB Oc1nc2nonc2nc1Nc1ccc(I)cc1 8816691 PAGLKOURHVBEIG-UHFFFAOYSA-N 355.095 2.067 0 40 FEAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc2c(c1)OCO2 8954793 UKFHQVQKIMFHDX-UHFFFAOYSA-N 369.402 2.131 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10370979 MHYQCFRMDDKNKD-ZFWWWQNUSA-N 353.488 2.315 0 40 FEAB CC[C@H]1CCc2sc(C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2C1 10417917 TWENEPWSVPRCCQ-LBPRGKRZSA-N 370.540 2.417 0 40 FEAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccccc2C)c2ccccc2O1 11204342 JGLTXWHHLVICTA-IBGZPJMESA-N 368.433 2.394 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cn1 11351574 PIOIGEAPUKOSJD-UHFFFAOYSA-N 369.377 2.013 0 40 FEAB Cc1ccccc1NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 11366571 IHNLPPJARPHYPT-UHFFFAOYSA-N 373.482 2.489 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(N2CCCC2=O)c1 11916320 CMECTGZXGNDZHY-UHFFFAOYSA-N 351.362 2.360 0 40 FEAB COc1ncc(C2(O)CCN(Cc3c(F)cccc3F)CC2)c(OC)n1 12186352 DYVYVZGPDPNPSH-UHFFFAOYSA-N 365.380 2.256 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377543 RBFZONRYEOTPMK-BREBYQMCSA-N 368.258 2.098 0 40 FEAB O=C(c1cccnc1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407963 QIQXDQZUWSXMQF-UHFFFAOYSA-N 351.366 2.252 0 40 FEAB CCCc1nnc(SCCOc2ccc(OC)cc2)n1CC(=O)O 12751195 MCKGLOWNIMGURM-UHFFFAOYSA-N 351.428 2.495 0 40 FEAB CC(=O)c1ccccc1OCCn1c(C(F)(F)F)ccc(C(N)=O)c1=O 14152616 DMIRVWDBGMDSGZ-UHFFFAOYSA-N 368.311 2.248 0 40 FEAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CC1 14244677 FUHLOIKPSSZTKV-ZDUSSCGKSA-N 372.494 2.221 0 40 FEAB O=C(O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16042767 KBEFEQMDJBJJLL-QWHCGFSZSA-N 353.378 2.198 0 40 FEAB CCCNS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 16740480 YRDCBTLEDXJZNA-UHFFFAOYSA-N 353.488 2.189 0 40 FEAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)CC1 19016850 RJXGWLOQWIGJJZ-UHFFFAOYSA-N 364.449 2.401 0 40 FEAB Cc1ccsc1CN1CCC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 19238634 OJPMARISDAMWOM-HNNXBMFYSA-N 374.510 2.356 0 40 FEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)C1CCCC1)C2 19708887 ZXFJYFBFMDJBCU-HNNXBMFYSA-N 357.502 2.402 0 40 FEAB CCCC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 20412549 QSEXFRAUXUBYPQ-CYBMUJFWSA-N 361.394 2.418 0 40 FEAB biogenic COc1ccc(C(=O)CCC(=O)N2CCC3(CC2)OCCO3)cc1OC 24996211 MOYJDZKMBWVBCW-UHFFFAOYSA-N 363.410 2.032 0 40 FEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccn(C)n1 25076766 NLTGHUDSHRDJTJ-ZDUSSCGKSA-N 362.817 2.325 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccsc1 25332398 ACUCSYPMMGWSOI-ZBFHGGJFSA-N 359.499 2.174 0 40 FEAB COc1cc(OC)cc([C@H](NC(=O)c2ccccn2)c2nccn2C)c1 29130522 RSSNWYFKBWLHHA-KRWDZBQOSA-N 352.394 2.352 0 40 FEAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1 31532085 PDRBDQZDZVDNSO-UHFFFAOYSA-N 369.446 2.363 0 40 FEAB O=C(NC1CCN(C(=O)CNCc2ccccc2)CC1)c1ccccc1F 35311417 VFXZPCPISWMVAJ-UHFFFAOYSA-N 369.440 2.336 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1 44356819 UNJMIXVDWYZHNE-CYBMUJFWSA-N 351.453 2.173 0 40 FEAB Cc1cc(C)n2ncc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)c2n1 45124128 VGAGXAANKRFWGE-QGZVFWFLSA-N 351.454 2.249 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(OC)cc(OC)c2)c1 47329526 JJLWWBISRAOQGG-UHFFFAOYSA-N 364.423 2.173 0 40 FEAB CCOC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)c1 48985037 XEFMVWCZYQXLPG-CYBMUJFWSA-N 374.393 2.346 0 40 FEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 57477514 MUPOMYBZQZZRLW-UHFFFAOYSA-N 355.369 2.351 0 40 FEAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1C 58161807 AWOIABQGWMWGTH-CQSZACIVSA-N 355.438 2.294 0 40 FEAB Cc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2c(C)nn(C)c2n1 58177623 AZVQFILGHWEEBA-UHFFFAOYSA-N 364.409 2.028 0 40 FEAB O=C(Cn1c(-c2cccs2)noc1=O)NCCc1c[nH]c2ccccc12 58208695 XLJPJCYBZLHTHC-UHFFFAOYSA-N 368.418 2.405 0 40 FEAB Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(Cn3cncn3)cc2)o1 58210746 XMMCCZUOJQQDET-UHFFFAOYSA-N 367.453 2.432 0 40 FEAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1nc(C)cs1 60724388 HXUFKHKEACLYCI-HSZRJFAPSA-N 352.437 2.375 0 40 FEAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@@H]1COCCO1 64251600 RZNJMDFABOXDKJ-QGZVFWFLSA-N 366.421 2.240 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)C[S@](=O)Cc1cccc(C(N)=O)c1 64827212 FKKHSAYWJXOLTB-RXBISOJRSA-N 370.474 2.402 0 40 FEAB COc1ccccc1CNC(=O)c1nnn(Cc2ccccc2C)c1N 67240176 MMUFATLOEMORRK-UHFFFAOYSA-N 351.410 2.156 0 40 FEAB COc1cccc(N2CCN(C(=O)Cc3ccccc3C(=O)O)CC2)c1 72400881 QIPYVPWOCBVGLN-UHFFFAOYSA-N 354.406 2.285 0 40 FEAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1F 72401204 LJRVAEXDNOXXPD-UHFFFAOYSA-N 356.401 2.296 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 78581724 KZNYROOSWQJAKG-BHDPWAOGSA-N 352.475 2.118 0 40 FEAB CC(C)C[C@@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCCC1=O 87135447 SDUTYBLOMYUYPW-IRXDYDNUSA-N 362.474 2.428 0 40 FEAB CC(C)C(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 89775634 VPNUTAMPTFSJIH-LBPRGKRZSA-N 352.866 2.299 0 40 FEAB COCCOc1ccc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)cc1 95447942 QFIIXWJNTUSYJV-UHFFFAOYSA-N 362.411 2.092 0 40 FEAB Cn1nc(-c2cccs2)cc1C(=O)NCCc1nnc2ccccn12 95478657 VDGNPOKYJVYUQL-UHFFFAOYSA-N 352.423 2.164 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997991 KXCBOTHRDNXLCZ-UHFFFAOYSA-N 364.453 2.312 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)cn1 96109079 BSUBNBLRMQMFCC-BEFAXECRSA-N 357.385 2.092 0 40 FEAB Cc1cnc(C(=O)N2CCC3(CC2)CCN(c2ccccc2)C3=O)cn1 96157883 ADFIQDMFCVOFOE-UHFFFAOYSA-N 350.422 2.444 0 40 FEAB O=S(=O)(c1cccs1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216886 VRHIHZRSOFDMGN-MRXNPFEDSA-N 364.496 2.219 0 40 FEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 108904844 MGTKHQAUNWVZTJ-YESZJQIVSA-N 362.495 2.346 0 40 FEAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218593130 JJIKVSIYIUJRRX-OFQRWUPVSA-N 351.811 2.062 0 40 FEAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccco3)CC2)n[nH]1 225563882 NFSWMWMBAHCDAV-UHFFFAOYSA-N 370.331 2.315 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2nnsc2-c2ccccc2)C1 226746974 IFLNCNLOHYHXJA-CYBMUJFWSA-N 356.451 2.336 0 40 FEAB CN(C)C[C@H]1CCC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)OC1 248107760 JEFLVTGXOLYXRQ-OAHLLOKOSA-N 360.454 2.031 0 40 FEAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ccccc2C(=O)O)n1 257237631 HHJNWBLQYFYJAL-QGZVFWFLSA-N 354.410 2.148 0 40 FEAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3Cc3cccnc3)ccnc12 257281553 OPTUYDPDZUXCRQ-MRXNPFEDSA-N 350.426 2.163 0 40 FEAB Cc1cc(S(=O)(=O)NCCO)ccc1NC(=O)c1ccc(Cl)cc1 408601134 ADRZJTDDSPFRKO-UHFFFAOYSA-N 368.842 2.171 0 40 FEAB O=C(NCCn1c(O)nc2ccccc21)c1ccc(NCC2CC2)nc1 506963569 CZVWEEFUCSRFBS-UHFFFAOYSA-N 351.410 2.389 0 40 FEAB O=[S@@](Cc1nnnn1Cc1ccccc1)c1ccc2c(c1)OCCCO2 517430360 ATCSLEHGRDEZCT-SANMLTNESA-N 370.434 2.191 0 40 FEAB CC1(C)C(=O)Nc2cc(C(=O)NCCC(=O)Nc3ccccn3)ccc21 550082574 OKBYWUINUFVUCB-UHFFFAOYSA-N 352.394 2.070 0 40 FEAB CCN1CCCN(c2cc(C3CC3)nc(N3CCCN(CC)CC3)n2)CC1 553389180 QZCBSVXHAFAPHB-UHFFFAOYSA-N 372.561 2.418 0 40 FEAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCc2ccncn2)cc1 583622013 WPNRKGDOPZLJBZ-AZUAARDMSA-N 355.438 2.317 0 40 FEAB O=C(Cc1ccco1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585105228 QYCGSPYLVFVKPR-MRXNPFEDSA-N 351.468 2.352 0 40 FEAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)[C@@H](OC)C2)nc1 585280190 ZSVWCTUESGIIHC-PBHICJAKSA-N 358.417 2.377 0 40 FEAB O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 585288251 SHAYEJUOVQDTKC-XFQXTVEOSA-N 353.422 2.047 0 40 FEAB CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C(=O)O)ccc1F 629313971 GKGSVOQGMQLRFH-GXTWGEPZSA-N 372.418 2.096 0 40 FEAB O=C(Cc1cccnc1)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 630140001 LIBQHNCVLQIDGB-UHFFFAOYSA-N 367.405 2.200 0 40 FEAB Cc1nc(CN2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)no1 1775971851 VRVMXMOWMYLCET-UHFFFAOYSA-N 351.410 2.439 0 40 FEAB O=C(CCc1ccccc1F)NCC1(N2CCOCC2)CCSCC1 1775974359 YPTCRPFEJNRRLA-UHFFFAOYSA-N 366.502 2.473 0 40 FEAB O=C(C1CC=CC1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888853517 RZYLKGGURUOPIM-UHFFFAOYSA-N 350.422 2.464 0 40 FEAB Cc1cc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)nc(N(C)C)n1 1889091910 ORXRXEWQGYGNQN-UHFFFAOYSA-N 355.490 2.265 0 40 FEAB Cc1cc(C)c2ccc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc2n1 1889139249 QWBQEHGMRCHTJQ-AWEZNQCLSA-N 360.483 2.297 0 40 FEAB O=C1CO[C@]2(CCCN(Cc3cnccn3)CC2)CN1c1ccc(F)cc1 2037839943 GFWMOJOQOCZIDN-FQEVSTJZSA-N 370.428 2.404 0 40 FEAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4cc(C)nn4C)C3)C2)n1 2056224235 MORWGKPLHXPEIN-FQEVSTJZSA-N 368.485 2.350 0 40 FEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 800666 QOEUUJWOTAVEML-CQSZACIVSA-N 368.389 2.230 0 40 FEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 6678934 DLLCLTSRBWUBRV-UHFFFAOYSA-N 373.434 2.282 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 57638480 WBAIMHKARZIZGE-UHFFFAOYSA-N 366.373 2.303 0 40 FEAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NC1CC1 57996252 XGADCGMSNNKSLP-UHFFFAOYSA-N 356.253 2.030 0 40 FEAB C[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(F)c1 8883516 DVEPYNPFYKJDLP-LLVKDONJSA-N 365.380 2.397 0 40 FEAB Cc1cccc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 58208722 KQJOJTICDYKXOT-UHFFFAOYSA-N 353.465 2.018 0 40 FEAB CCO[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2C)C1 58208672 BMOPHXKUJUOPRO-INIZCTEOSA-N 366.483 2.311 0 40 FEAB CCNc1nc(Cl)nc(N(OC)S(=O)(=O)c2ccc(C)cc2)n1 26532522 NWXDJAXBDBBUIL-UHFFFAOYSA-N 357.823 2.022 0 40 FEAB C[C@H]1CCc2sc3ncn4nc(C(=O)NC[C@@H]5CCCO5)nc4c3c2C1 2201113 REVSSVQOXSKYHU-QWRGUYRKSA-N 371.466 2.373 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 36389635 LHBICCBPZIFVBE-UHFFFAOYSA-N 365.477 2.378 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)s2)CC1 36359722 MOPCAOPDGGQGHH-UHFFFAOYSA-N 369.468 2.102 0 40 FEAB Cc1cc(=O)n2nc(CN[C@H](C)c3ccc(-n4ccnc4)cc3)sc2n1 24988095 HVLSTJUUTHJRJC-CYBMUJFWSA-N 366.450 2.496 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccn1 2374049 HMPSZTPLOGEIEX-UHFFFAOYSA-N 362.365 2.063 0 40 FEAB COc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 22277161 HYONISMDTRZGLW-UHFFFAOYSA-N 368.842 2.338 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O 12597881 LKGDNZWHMHDVNY-INIZCTEOSA-N 358.442 2.254 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1 12526377 GNGQRHLBGPDIJI-UHFFFAOYSA-N 364.423 2.257 0 40 FEAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1)[C@@H]1CCCO1 46218117 BROLNPSKZBXNIC-MHGIMSBQSA-N 360.454 2.281 0 40 FEAB CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 54360962 JQLUUHCLQMEQQY-LCYFTJDESA-N 367.858 2.054 0 40 FEAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)N2CCC(C)CC2)c(C)c1 48275201 YBINMDSMUDMSKB-UHFFFAOYSA-N 353.488 2.117 0 40 FEAB CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3364748 WBCYXKLHWRDEPK-UHFFFAOYSA-N 370.818 2.240 0 40 FEAB COc1ccc(C[C@H](CO)CNC(=O)Nc2cccnc2Cl)cc1O 72304707 KFTNZRCDCSUBMS-LBPRGKRZSA-N 365.817 2.422 0 40 FEAB Cc1nnc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)o1 39579481 WNPYFBQUPCVUIC-UHFFFAOYSA-N 362.430 2.079 0 40 FEAB Cc1cc(NC(=O)CN2CCCC[C@@H]2C(N)=O)ccc1Br 9366486 NSJPIPCKXNAYTN-CYBMUJFWSA-N 354.248 2.036 0 40 FEAB COc1cc2cc(C(=O)NCc3nnc4ccccn34)n(C)c2cc1OC 95475789 YXUKOPQWRDDZKH-UHFFFAOYSA-N 365.393 2.168 0 40 FEAB CNC(=O)[C@@H]1CN(Cc2nnc(Cc3ccccc3)o2)c2ccccc2O1 65542937 YCDSAONZADZUNX-KRWDZBQOSA-N 364.405 2.174 0 40 FEAB O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1 66340993 VUHFNLZLCUQVPD-ZDUSSCGKSA-N 368.275 2.317 0 40 FEAB COC(=O)c1cc(C(=O)c2cc(Br)ccc2O)coc1=N 5861934 YQMFWLAVVNPAHR-UHFFFAOYSA-N 352.140 2.245 0 40 FEAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 7982292 KEKRIMFQYYZWPJ-UHFFFAOYSA-N 356.403 2.447 0 40 FEAB O=C1CCc2cc(C(=O)Cn3cnc4cc(F)ccc4c3=O)ccc2N1 8486077 UPZAIZIBCFLTNY-UHFFFAOYSA-N 351.337 2.303 0 40 FEAB CCCCN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O 9883155 BGCIJPNNGOVIAK-UHFFFAOYSA-N 362.773 2.481 0 40 FEAB O=C(COc1ccc2c(c1)OCO2)Nc1cccc(C(=O)NC2CC2)c1 8745862 BIZFFGCYSMBLDR-UHFFFAOYSA-N 354.362 2.325 0 40 FEAB CCC[C@@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 8734072 OZPVAAPXLRQGMK-ZDUSSCGKSA-N 372.252 2.373 0 40 FEAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCN(C)C2=O)o1 97002365 FZOODEIAOQVUKU-MRXNPFEDSA-N 364.405 2.401 0 40 FEAB O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 88404753 UNKJKFGTAOBJOZ-MSOLQXFVSA-N 373.497 2.243 0 40 FEAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408707398 AFEFCGLUUPIPBF-UHFFFAOYSA-N 353.422 2.388 0 40 FEAB Cc1nc2ccccc2n(CCNC(=O)[C@H](C)Oc2ccccc2)c1=O 95943977 DWRLIDGGVOCZLG-HNNXBMFYSA-N 351.406 2.289 0 40 FEAB CS[C@@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@@H]1N(C)C 543903112 NIUSDGOVJAIGIT-UONOGXRCSA-N 360.512 2.335 0 40 FEAB C[C@H]1Sc2ccccc2N(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1C 75106260 GBXBJPRSBYLCBJ-HUUCEWRRSA-N 373.522 2.457 0 40 FEAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cccc(Br)c1 89774385 RMQLHHXXVVSGRJ-CYBMUJFWSA-N 369.284 2.490 0 40 FEAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccccc1F 409226361 VIVDIKDRVKHFOJ-UHFFFAOYSA-N 368.320 2.051 0 40 FEAB O=C(C[S@@](=O)Cc1cnc(-c2ccccc2)nc1)NCC(F)(F)F 517247522 NXXSFTQBJIZLAE-DEOSSOPVSA-N 357.357 2.071 0 40 FEAB COc1ccccc1CCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 219016152 PTEBNIHPIKOYNW-CALCHBBNSA-N 370.449 2.085 0 40 FEAB O=C(Nc1cc(-c2cccc(F)c2)on1)N1CCC[C@@H]1CN1CCOCC1 571508571 JUDZXVSSECVLHW-MRXNPFEDSA-N 374.416 2.809 0 40 FEAB CCNC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96143280 IBAQWVNUINYJCO-SFHVURJKSA-N 365.499 2.368 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2)cc1 96006250 YAEGOCRGHSESFI-UHFFFAOYSA-N 353.488 2.054 0 40 FEAB CCOC(=O)[C@]12CCCN(Cc3ccc(OC)cc3)C[C@H]1CN(C(C)=O)C2 96056007 FDBIIJWYIMCIMP-RXVVDRJESA-N 374.481 2.319 0 40 FEAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1 96218335 DHUBYUHGDNNIBQ-KBXCAEBGSA-N 358.467 2.092 0 40 FEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccccc1)C2 96238092 NQWSEIUAHUDOKH-IBGZPJMESA-N 355.463 2.311 0 40 FEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1ccccn1 95477000 WKDQUSNKPOWUMQ-OAHLLOKOSA-N 370.844 2.254 0 40 FEAB O=C(COC[C@H]1CN(Cc2cccs2)Cc2cncn21)N1CCCC1 247744187 QEBGKPFALUKAIQ-MRXNPFEDSA-N 360.483 2.141 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)c1 247995560 BDLCGDOLIAWKPK-INIZCTEOSA-N 374.462 2.249 0 40 FEAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(CC(N)=O)[C@H]1CCCC(=O)N2 257270073 MSRFILBJDWHDKO-ZQIUZPCESA-N 369.387 2.365 0 40 FEAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 250662829 GGORKDMWGUOYJH-WBVHZDCISA-N 358.438 2.210 0 40 FEAB Cc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253477254 DTBHPYHSISHYDP-CQSZACIVSA-N 361.471 2.399 0 40 FEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCOCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596234 OSQUKUJNMBEZBW-PQOQACGUSA-N 370.449 2.190 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCc2ccccc2C1 85560480 PFODXVKHVZDVIE-HXUWFJFHSA-N 370.474 2.383 0 40 FEAB CCc1noc([C@H]2CC[C@H](NS(=O)(=O)c3ccsc3C(=O)O)C2)n1 1605876959 VGBGYXDCNDOTFR-IUCAKERBSA-N 371.440 2.006 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)o1 603069927 ZKDYCDKFRQCAAS-CQSZACIVSA-N 360.435 2.308 0 40 FEAB CC1(C)Cc2cccc(OC(=O)[C@H]3CCCCN3S(C)(=O)=O)c2O1 48867563 XHPMCKNBLRYKLI-CYBMUJFWSA-N 353.440 2.120 0 40 FEAB Cc1nc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)no1 53224876 KPXJWXCSRAKFQO-UHFFFAOYSA-N 372.454 2.147 0 40 FEAB COc1ccccc1C1(CNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CCOCC1 84317764 RZZRTIUCHCSXLA-IAGOWNOFSA-N 369.465 2.397 0 40 FEAB CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2c(C)nn(C)c2Cl)C1 583615383 GFMNAUSMMDIJAD-PWSUYJOCSA-N 352.788 2.413 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)c1 96814881 MTSZMGDOGXWWRA-MHWRWJLKSA-N 374.393 2.421 0 40 FEAB Cc1ccccc1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 5000189 OHHPSTXNAUDYCV-RTBURBONSA-N 367.449 2.321 0 40 FEAB CSc1nnc([C@H]2CCCN(CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C 5001445 KWVPCEYTUUHIGH-QLFBSQMISA-N 365.547 2.411 0 40 FEAB O=C1NC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)Oc2ccccc21 12086747 HMMOFUNAJUGGGH-LJQANCHMSA-N 356.447 2.474 0 40 FEAB C[C@H]1CCc2c(sc3ncn(C4CCN(CCC(N)=O)CC4)c(=O)c23)C1 12145486 MPNXSMHGKYHSLH-LBPRGKRZSA-N 374.510 2.095 0 40 FEAB COCCN(C(=O)c1cc(C)no1)c1nc2c(s1)CCc1c-2cnn1C 12146096 VZLIPRSGCLVYGO-UHFFFAOYSA-N 373.438 2.232 0 40 FEAB COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)OCC(=O)c1ccc(OC)cc1)[C@@H]1C[C@H]21 13468975 ONFSNMPRGOMFHO-KQHFAPEESA-N 370.401 2.278 0 40 FEAB COc1cc(CCC(=O)Nc2cccc(-c3nnnn3C)c2)cc(OC)c1 14518802 NTYHMVXVUCKVDL-UHFFFAOYSA-N 367.409 2.466 0 40 FEAB Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O 16892865 DCYBHNIOTZBCFS-UHFFFAOYSA-N 357.369 2.178 0 40 FEAB CN(C(=O)c1cnccn1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586640 MQGDLCVSPUKNEN-UHFFFAOYSA-N 366.421 2.052 0 40 FEAB CCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2Br)n(C)n1 634804833 VCDYQNZOSRAKQU-ZDUSSCGKSA-N 366.215 2.301 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 12914603 FVOAMWBNIOACLS-OAHLLOKOSA-N 358.423 2.264 0 40 FEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1occc1C(=O)OC 24223432 BPPIBCHWGRRILX-UHFFFAOYSA-N 374.393 2.298 0 40 FEAB COc1nn(C)cc1C(=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238826057 DTTSMPNDLPVMEK-SNVBAGLBSA-N 359.411 2.170 0 40 FEAB Cn1cc(CCC(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cn1 2037908995 LCTUCPBXPAHTAH-FQEVSTJZSA-N 357.454 2.175 0 40 FEAB CN1C(=O)c2cccnc2C12CCN(C(=O)c1cc(C3CC3)on1)CC2 1565553817 KDGCSZDGAFLANL-UHFFFAOYSA-N 352.394 2.164 0 40 FEAB Cc1nc(C(=O)N2CC[C@H](C(=O)N(C)C)c3nc(C)sc3C2)cs1 2055730036 UCOXGLHIJVKNOC-NSHDSACASA-N 364.496 2.434 0 40 FEAB COC[C@@H]1CN(C(=O)c2cccc(Cl)n2)Cc2nnn(CC3CC3)c21 2055750785 XWCUTLORFFRJJW-LBPRGKRZSA-N 361.833 2.123 0 40 FEAB Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C2CC2)n1 599429926 OHJRQAMEVNNSDH-UHFFFAOYSA-N 358.467 2.173 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 40001072 XJJFWONWFWCYIN-CQSZACIVSA-N 360.385 2.305 0 40 FEAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 40093908 RDVOACBZGYRNOL-SSDOTTSWSA-N 358.313 2.103 0 40 FEAB Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2ccc(C(F)(F)F)nc21 31451549 GFKHSLSPRICPOF-UHFFFAOYSA-N 353.275 2.301 0 40 FEAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 30343561 NBSGJWHXTPWECL-LJQANCHMSA-N 373.384 2.234 0 40 FEAB CCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCOCC2)C1 50696414 XDFRSBQUFMGRJS-QGZVFWFLSA-N 358.482 2.500 0 40 FEAB CC(C)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nccs1 20728573 UAAJHBPJMJZFSQ-KBPBESRZSA-N 361.423 2.062 0 40 FEAB O=C(N1CCC(n2cncn2)CC1)C(O)(c1ccccc1)c1ccccc1 101666374 PYXPQRFBQXHSLK-UHFFFAOYSA-N 362.433 2.378 0 40 FEAB CCn1c(C)cc(C(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OC)c1C 32747399 QFZQOTGAEVMPAB-UHFFFAOYSA-N 363.439 2.278 0 40 FEAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(CCc2ccccc2)CC1 32853371 CNWSEBGMAPEXMZ-UHFFFAOYSA-N 359.514 2.111 0 40 FEAB COc1ccc(-c2cc(CN3CCC(C(=O)NCCCO)CC3)on2)cc1 32928692 HWYQPYCNCWQINA-UHFFFAOYSA-N 373.453 2.061 0 40 FEAB Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 796322 ITVUHGAKAVZQMU-UHFFFAOYSA-N 366.483 2.078 0 40 FEAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1F 23977129 MYFFWSRNXVQWKN-CQSZACIVSA-N 370.471 2.239 0 40 FEAB O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813727 OFZZPOVIEIYFSF-UHFFFAOYSA-N 372.874 2.033 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3)CC2)cc1 1463550 DGIUXVQQMUHBDF-UHFFFAOYSA-N 359.451 2.429 0 40 FEAB CCOc1ccc2c(c1)[n+]([O-])c(-c1nc3ccccc3s1)c(N)[n+]2[O-] 1616429 XFAFGNKJSVBNAF-UHFFFAOYSA-N 354.391 2.364 0 40 FEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1cccc(Br)c1 4299276 JXUDCGNYTGZGJA-WDEREUQCSA-N 360.204 2.460 0 40 FEAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 95479432 IGCOJMZOBNFNNE-RBUKOAKNSA-N 366.417 2.276 0 40 FEAB Cc1cccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 10448208 YAMHSVKGSHKPNC-UHFFFAOYSA-N 368.405 2.356 0 40 FEAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F 57985441 YHPLSDQOODQVCY-CYBMUJFWSA-N 372.368 2.080 0 40 FEAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 8559320 PZOUBFHUQIOAEX-VIFPVBQESA-N 369.303 2.218 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(F)c(F)c1 8708264 WZYSUOAZUMJDMN-IBGZPJMESA-N 372.327 2.377 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2cc(F)ccc2O1 95424582 AKFVSYOOFDDOOG-FUHWJXTLSA-N 368.364 2.423 0 40 FEAB COc1ccc(CCNC(=S)c2ccc(OCC(N)=O)c(OC)c2)cc1 9024582 JCZXRTAUHNIYIZ-UHFFFAOYSA-N 374.462 2.076 0 40 FEAB COC(=O)c1cccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC)c1 95404769 BTXFFSONWPGKBK-KRWDZBQOSA-N 353.374 2.386 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 2482015 GKYPGWIYYMMLSM-ZDUSSCGKSA-N 354.815 2.425 0 40 FEAB CCOC(=O)CNC(=O)CSc1ncnc2sc3c(c12)CCCC3 2444906 YAVGTWUVEKNCBM-UHFFFAOYSA-N 365.480 2.342 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2cnccn2)C1 29780959 WYUQTTKUWVMIHN-OAHLLOKOSA-N 364.453 2.318 0 40 FEAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc2ccccc12 2646347 YMVBNLNJCKMEFM-MRXNPFEDSA-N 369.446 2.499 0 40 FEAB O[C@H](CN1CCN(Cc2csc3ccccc23)CC1)Cn1cccn1 48260623 LLKYYNRVJJMUMG-QGZVFWFLSA-N 356.495 2.277 0 40 FEAB O=C1CN(C(=O)CSc2ccc(F)cc2)C2(CCCCC2)C(=O)N1 12761330 UCAMEWXAHMDZSN-UHFFFAOYSA-N 350.415 2.106 0 40 FEAB O=C1[C@H]2CC3(CC[C@H]2C(=O)N1CCc1c[nH]c2ccccc12)OCCO3 100742607 JZFNLGWIUKSTKD-CVEARBPZSA-N 354.406 2.239 0 40 FEAB biogenic Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n(N)c1=O 3310264 LEAKCUVUQTWNHY-MRXNPFEDSA-N 352.419 2.377 0 40 FEAB CCCCCc1nnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 12855290 USPWWVIFHOTFCA-VXGBXAGGSA-N 364.471 2.385 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccccc1 12815456 QINQSHZXMJQOJF-UHFFFAOYSA-N 353.422 2.178 0 40 FEAB COc1cccc(COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1OC 12898976 KVIYMWVYCPFIIF-CQSZACIVSA-N 359.378 2.389 0 40 FEAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(CN2CCOCC2)CC1 48483114 BFFRDCDKJQMROM-OAHLLOKOSA-N 350.434 2.164 0 40 FEAB CC(C)N1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2S1(=O)=O 48427216 OVSCYEZEFOHOSN-UHFFFAOYSA-N 360.391 2.197 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1 12919717 XKJMDQOHXZTQAQ-SNVBAGLBSA-N 356.405 2.272 0 40 FEAB COC(=O)c1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 13000112 HEMRQOUZBLTZQZ-UHFFFAOYSA-N 360.454 2.374 0 40 FEAB COc1ccccc1[C@@H](C)N(C)C(=O)CS[C@H]1CCS(=O)(=O)C1 48831499 FMQYQTGMIKVRQI-OLZOCXBDSA-N 357.497 2.135 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CSc2ncnc3nc[nH]c23)c1 13550292 ORPSMNNTMYIECA-UHFFFAOYSA-N 357.395 2.260 0 40 FEAB Cn1cc(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)cn1 14165438 HESBIVWHRAUUMA-UHFFFAOYSA-N 351.391 2.242 0 40 FEAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1C(F)(F)F 5487462 FZBDDDGFURSGCV-UHFFFAOYSA-N 369.328 2.482 0 40 FEAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 5459889 SXJAOJYUGBVGJF-CQSZACIVSA-N 351.410 2.481 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NCc3cn4ccccc4n3)ccc12 9318946 UPDKNWNLWJCUPA-UHFFFAOYSA-N 363.373 2.444 0 40 FEAB COc1ccc(C)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858554 RNCJZOPQIZLTMF-UHFFFAOYSA-N 374.418 2.322 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1N1CCOCC1 8710773 MJYYRJXVVOOPER-UHFFFAOYSA-N 374.462 2.487 0 40 FEAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1 113885295 LIQKVYHIOYKFOI-UHFFFAOYSA-N 359.325 2.472 0 40 FEAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NCCc1c[nH]c2ccccc12 9048992 STJRTCHGYNIAGH-UHFFFAOYSA-N 364.384 2.319 0 40 FEAB COc1ccc(NC(=O)CCCc2nnc3ccc(OC)nn23)c(OC)c1 71286505 XOEYABCMUZIFIS-UHFFFAOYSA-N 371.397 2.112 0 40 FEAB CN(C)S(=O)(=O)c1cccc(CN2CCC(=O)Nc3ccccc32)c1 72518688 UNOUPWXSPUOZCO-UHFFFAOYSA-N 359.451 2.286 0 40 FEAB COC(=O)C1CCN(CCCNC(=O)COc2ccc(Cl)cc2)CC1 95350355 XDGNMZQKHYYNKA-UHFFFAOYSA-N 368.861 2.110 0 40 FEAB Cc1ccc(C)c(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)c1 306141352 VSYSBLFPLUJMIG-ROUUACIJSA-N 367.497 2.337 0 40 FEAB CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1O 26384761 UDVCHWOEHQSXMW-NSHDSACASA-N 357.248 2.377 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306124365 BNPLARKLEQLRQW-KBPBESRZSA-N 371.872 2.128 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@@H](COCc3ccccn3)C2)cn1 306136347 PQOYSLUHZHSGNR-LJQANCHMSA-N 352.442 2.268 0 40 FEAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1 23157259 DZBRHOAYFNZIJO-OAHLLOKOSA-N 374.466 2.360 0 40 FEAB C[C@@H](NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1F 22012169 IOHHJHHFBQRFSG-OAHLLOKOSA-N 374.435 2.355 0 40 FEAB O=C(c1cnc2ccccn12)N1CC2(C1)OCC[C@H]2COc1cccnc1 306132511 LLCLCWBVAKFIAP-HNNXBMFYSA-N 364.405 2.039 0 40 FEAB COc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1Cl 36594894 IMIPEGYOVSLLDX-CQSZACIVSA-N 373.796 2.428 0 40 FEAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)O)cc1 218631247 WOPXPTNWOGZEJA-YQQAZPJKSA-N 365.838 2.370 0 40 FEAB NC(=O)N1CCC[C@@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 564020562 LOROCAPPQNRRPR-VIFPVBQESA-N 351.357 2.021 0 40 FEAB COc1ccccc1N1CCN(C(=O)c2cc3nc(C)cc(C)n3n2)CC1 35312939 KRORGFXRJDYDEH-UHFFFAOYSA-N 365.437 2.317 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 72353348 ICNVMVVCCSDYAG-MRXNPFEDSA-N 367.453 2.371 0 40 FEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Cl 44885306 ISIAPTRPXKFEKD-UHFFFAOYSA-N 367.814 2.063 0 40 FEAB COc1ccc([C@@H](CC(=O)O)CC(=O)NCc2c(C)nn(C)c2C)cc1 226752349 CUDYUFJFLFZTPZ-OAHLLOKOSA-N 359.426 2.310 0 40 FEAB Cc1cc(C)n(CCNC(=O)c2coc(NC(=O)Cc3cccs3)n2)n1 77196549 SCXSXEIHRMWIAA-UHFFFAOYSA-N 373.438 2.161 0 40 FEAB O=C(NCc1nnc2ccccn12)N1CCN(c2ccccc2Cl)CC1 43710005 ZDKJJKKYRSOTJV-UHFFFAOYSA-N 370.844 2.415 0 40 FEAB CCOC(=O)C1CCN(c2cc(C(=O)N3CCCCC3)nc(C)n2)CC1 96182840 LPSJMSFKFQQUNE-UHFFFAOYSA-N 360.458 2.191 0 40 FEAB Cn1cc(CN2CC[C@@]23CCN(C(=O)Cc2c[nH]c4ccccc24)C3)cn1 96076107 INZYCTZGOXIXSD-OAQYLSRUSA-N 363.465 2.321 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)c1cc2ccccc2s1 1589091565 DFTDUZTYSWSJLA-YPMHNXCESA-N 360.435 2.402 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2 96227584 RTJLCNHEZKEPRE-FXAWDEMLSA-N 356.470 2.452 0 40 FEAB Cc1nc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)cs1 96062329 URMXGJDCRLPKOA-SFHVURJKSA-N 351.516 2.155 0 40 FEAB O=C(COc1ccccc1-n1cnnc1)Nc1n[nH]c2cccc(F)c12 95475529 ODWQWSUCUHXDCS-UHFFFAOYSA-N 352.329 2.300 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257259330 KXVOUHLVEATYRB-AWEZNQCLSA-N 359.430 2.133 0 40 FEAB O=C(c1cncs1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257255239 KGRWNZNOLAEEBW-HKUYNNGSSA-N 357.479 2.385 0 40 FEAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccccc2C)C1 257257044 KNWJRVWXRLYNPA-NRFANRHFSA-N 353.466 2.489 0 40 FEAB COc1ncccc1CN1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 253600883 BZTPVQPSPSFCOF-INIZCTEOSA-N 356.426 2.001 0 40 FEAB Cc1cccc(OC2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)n1 96119465 VASGHOTZZIVKHQ-UHFFFAOYSA-N 364.409 2.049 0 40 FEAB COc1ccc2c(c1)[C@H](C(=O)N1CCN([C@@H](C)CC(=O)O)CC1)CCC2 630221209 VRDVRLGBKTXMBM-WMLDXEAASA-N 360.454 2.123 0 40 FEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643892981 HGHZZQRWHIXSTJ-QGZVFWFLSA-N 356.474 2.189 0 40 FEAB CC(=O)N1Cc2ccc(S(=O)(=O)Nc3cnc(C)nc3C3CC3)cc2C1 663298339 KISNJMLUXKQVNH-UHFFFAOYSA-N 372.450 2.325 0 40 FEAB Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@H](C)OC2(CCOCC2)C1 684156450 PNSTYALQIHBHSE-AWEZNQCLSA-N 372.469 2.075 0 40 FEAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](COc2cccnc2)C1 575406397 OJPWEOFDBUGRKT-MRXNPFEDSA-N 350.378 2.260 0 40 FEAB O=C(/C=C/CN1CCOCC1)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 585291581 QKCYFTOTZVVFTK-GGAFJGOMSA-N 370.493 2.329 0 40 FEAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106347 YQFJJNVMIAVGSV-CVEARBPZSA-N 359.470 2.041 0 40 FEAB C[C@H](Cc1ccccc1F)C(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685941745 AWGAATRUXMKZAD-GFCCVEGCSA-N 358.417 2.233 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@H]2CCN(C)C(=O)C2)C(C)C)c1 44437717 SLMOKIKRDMMVDP-MAUKXSAKSA-N 374.437 2.264 0 40 FEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436708 ZUPDQCAMBUQKIY-OAHLLOKOSA-N 358.360 2.114 0 40 FEAB Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)c(Br)s1 1615592923 WBALHPQVICZDLX-GHMZBOCLSA-N 369.288 2.119 0 40 FEAB CC(C)(S[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O)[C@H](N)C(=O)O 5027208 NSWWTVWUNAQUQG-GOEBONIOSA-N 372.446 2.395 0 40 FEAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19521212 ULLKKDLNDSHQIJ-CQSZACIVSA-N 369.469 2.343 0 40 FEAB CN1CCN(C(=O)c2ccc(Cn3cncn3)cc2)[C@H](c2ccccc2)C1 19589368 NSCSFVMIRSOLJL-FQEVSTJZSA-N 361.449 2.455 0 40 FEAB CCCc1nnc(S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)O)[nH]1 7342311 MWMSLBUAGSYDQV-LCYFTJDESA-N 373.438 2.165 0 40 FEAB Cc1ccn2ncc(C(=O)N3CC[C@H](c4ccccc4)[C@H](CO)C3)c2n1 618456781 GLZTXKHTGZJYED-DLBZAZTESA-N 350.422 2.276 0 40 FEAB O=C(c1cc(N2CCOCC2)ncn1)N1CCC(Cc2ccccc2)CC1 238861207 KRYJXZUDEJPSTJ-UHFFFAOYSA-N 366.465 2.408 0 40 FEAB O=C(COCc1ccccc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390831197 QKIWAXQPJNNHMI-CYBMUJFWSA-N 368.359 2.236 0 40 FEAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)O1 1565547279 PBIBZPMNCHMYAF-QUCCMNQESA-N 363.502 2.064 0 40 FEAB COc1cccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 9844116 DZQLCGSLZBNKLD-UHFFFAOYSA-N 367.380 2.488 0 40 FEAB Cn1cnc(N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)cc1=O 1775965783 HLEHUQPKCMNSIW-UHFFFAOYSA-N 357.458 2.163 0 40 FEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(CC)ccc21 101337923 WKCKCMXCDGTLLY-HNENSFHCSA-N 372.450 2.303 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Cn2ccnc2)cc1 30220241 RCDQQYISDIBLMC-INIZCTEOSA-N 362.433 2.366 0 40 FEAB COCCN1CNC2=N[C@H](c3cccs3)n3c(nc4ccccc43)N2C1 20102199 QPWRYHSYGPBDNU-INIZCTEOSA-N 368.466 2.287 0 40 FEAB CC(C)c1nnc(NC(=O)CCCn2nnc3ccccc3c2=O)s1 40284532 ICJFEXIRQDWTHD-UHFFFAOYSA-N 358.427 2.185 0 40 FEAB [CH2-]c1c2ccccc2nc(SCC(=O)Nc2ccc(C(N)=O)cc2)[n+]1C 32739641 OYPMKPCCGZRGGY-UHFFFAOYSA-N 366.446 2.071 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)NCc1ccccc1OC(F)F 22374323 AMPFQQIXWVYHSB-UHFFFAOYSA-N 374.347 2.099 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 22693881 XMFLYOZNHOHIFA-OAHLLOKOSA-N 360.458 2.433 0 40 FEAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)Nc1nncs1 22705000 SISMYKYJWNSTNN-UHFFFAOYSA-N 352.832 2.377 0 40 FEAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccs1 47518631 YOPAEXKOPSRNLC-NSHDSACASA-N 371.466 2.317 0 40 FEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC 922351 HZMNNIGZEJYTGI-UHFFFAOYSA-N 357.345 2.135 0 40 FEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)CCOc1ccc(F)cc1 78824536 IJEOPYZMRVTJEI-AWEZNQCLSA-N 353.415 2.422 0 40 FEAB CC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)Cc1ccccc1 1368361 WYPUJQMVTBBJQH-UHFFFAOYSA-N 359.451 2.451 0 40 FEAB CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@H]1CCOC1 106845062 OMICZSPBWPBNLD-INIZCTEOSA-N 363.417 2.306 0 40 FEAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)s1 4777221 DCQIHXAOMGWDHM-NSHDSACASA-N 352.460 2.194 0 40 FEAB COCC(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 4903961 ADPPSTOCYBRXMH-UWVGGRQHSA-N 358.489 2.005 0 40 FEAB CN(Cc1ccco1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 43998249 ODMQBPZUWSERRS-JKSUJKDBSA-N 362.426 2.220 0 40 FEAB COCCCn1c(O)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1 26341344 HDZAGBBPVMYUIU-SNVBAGLBSA-N 354.407 2.279 0 40 FEAB COCCNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 7604235 YXCKEPRJKZWRQJ-UHFFFAOYSA-N 352.485 2.390 0 40 FEAB CCc1ccc(NC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2nnn[nH]2)cc1 57523563 QNWKYHNLJJLOBT-OAHLLOKOSA-N 367.409 2.441 0 40 FEAB CCn1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cn1 27938392 LPPLMJLWEPUJLI-UHFFFAOYSA-N 350.425 2.169 0 40 FEAB COc1ccc([C@H]2N=C(N)NC3=Nc4ccccc4[C@H]32)c(OC)c1OC 100855726 FGSKGRHSNQNBAW-LSDHHAIUSA-N 352.394 2.499 0 40 FEAB CCOc1nnc(CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)s1 58171212 KZAHTZYHSJKPDV-UHFFFAOYSA-N 361.471 2.491 0 40 FEAB CN1CCN(c2ncccc2CNC(=O)Nc2ccc(F)cc2F)CC1 58195632 XMLOQXHCEYPHLF-UHFFFAOYSA-N 361.396 2.433 0 40 FEAB COc1cc([C@@H]2N=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)ccc1O 9289370 CONRXHSNBFNAOX-QGZVFWFLSA-N 369.425 2.080 0 40 FEAB COCCn1cc(C(=O)Nc2nc(CC(N)=O)cs2)c2ccccc21 58282357 FAPOAZKLVXVTJZ-UHFFFAOYSA-N 358.423 2.024 0 40 FEAB Cc1cc(C)nc(SCc2cc(=O)n3nc(-c4cccnc4)nc3[nH]2)n1 9936003 DMMJSRZTVDLKPW-UHFFFAOYSA-N 365.422 2.179 0 40 FEAB Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)O)CC3)c(C)c2oc1=O 2160215 LZIXQRTUMIIANS-UHFFFAOYSA-N 373.405 2.420 0 40 FEAB biogenic CCn1ccc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619073 PRAVDYOZVIKVOK-UHFFFAOYSA-N 351.370 2.400 0 40 FEAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417114 SKIDMGUVFZORRY-AWEZNQCLSA-N 352.822 2.098 0 40 FEAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1 29929977 DUPABSQQFOYPAO-OAHLLOKOSA-N 351.450 2.456 0 40 FEAB O=C(Nc1ccc(O)cc1)c1cc(Br)ccc1-n1cnnn1 12322755 LEVUCBFXPPNNGX-UHFFFAOYSA-N 360.171 2.383 0 40 FEAB O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1)C1CC1 48279120 RJMUMGDUAVOPSO-UHFFFAOYSA-N 358.410 2.178 0 40 FEAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1nccn2ccnc12 96002952 GHXJBTRSSZZJAI-LLVKDONJSA-N 364.331 2.296 0 40 FEAB CC(C)n1c(SCC(=O)NC2=NCCS2)nnc1-c1ccco1 9203717 HITWLSKXTFCONK-UHFFFAOYSA-N 351.457 2.430 0 40 FEAB COc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 409000632 FCSJFKGOZCJNRA-LLVKDONJSA-N 371.821 2.056 0 40 FEAB O=C1[C@H]2Cc3ccccc3CN2C(=O)N1Cc1cn(-c2ccccc2)nn1 97045983 OJCIHCWVQZCXAS-GOSISDBHSA-N 359.389 2.156 0 40 FEAB C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)COC4)c2)NC(=O)NC1=O 64393776 MMBQQZGVVAULSX-LJQANCHMSA-N 351.362 2.024 0 40 FEAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 14244831 RLQXSXDAPVXZJN-INIZCTEOSA-N 360.435 2.006 0 40 FEAB CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4987273 WCYJMJPDFSJWLV-GDBMZVCRSA-N 358.373 2.428 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 7053834 REBPXDFEXZSVEQ-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)o1 71891751 FEUGGQCCRXYSGM-UHFFFAOYSA-N 352.412 2.443 0 40 FEAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NCc1ccc(F)cc1 16795522 VSWJVPGYQRNEOV-NSHDSACASA-N 359.357 2.178 0 40 FEAB Cn1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4ccccc4)cnc2CO3)n1 306123522 APGFODJWHPHFSR-HXUWFJFHSA-N 363.421 2.099 0 40 FEAB CC[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(NC(C)=O)cc1 8814467 JXSJMRZQHCQSER-LBPRGKRZSA-N 360.443 2.109 0 40 FEAB O=C(CNC(=O)c1c2c(nc3ccccc13)CCC2)NCc1ccncc1 95956835 BJIFQDDTKPWKAO-UHFFFAOYSA-N 360.417 2.165 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc[nH]n1 95998437 DHQBQKRYFLUOPC-KRWDZBQOSA-N 351.410 2.426 0 40 FEAB CN(c1cccc(CO)c1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 89365394 XDRLVWDNLXMDIG-UHFFFAOYSA-N 357.435 2.249 0 40 FEAB O=C1CC[C@](C(=O)N2CCC([C@@H]3CCCO3)CC2)(c2ccccc2)CN1 553223851 CWMKWJSTIUDGAS-GHTZIAJQSA-N 356.466 2.252 0 40 FEAB COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 52969696 GTATVXRFYOQYFS-UHFFFAOYSA-N 357.429 2.386 0 40 FEAB CN(c1ccccc1C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 409330292 KPJTYWBKNHEIET-OAHLLOKOSA-N 374.462 2.421 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOc3ccccc32)cc1 30578041 SHFKYMBQMOHPTC-UHFFFAOYSA-N 360.435 2.041 0 40 FEAB COC(=O)C1=C2C(=O)OCCN2C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 72238861 NKBWSYOIJKYTOK-NSHDSACASA-N 371.176 2.044 0 40 FEAB Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1NC(=O)c1ccccc1 72401187 NJQGKWSNNHLSEN-UHFFFAOYSA-N 360.373 2.173 0 40 FEAB COc1cc(C)n(CCNC(=O)c2ccc(C(F)(F)F)nc2)c(=O)c1 225616229 HSGGYXCYFMHCNG-UHFFFAOYSA-N 355.316 2.009 0 40 FEAB CCOC(=O)c1cc(C(C)=O)nn(-c2cccc(Br)c2)c1=O 225967207 GKGWFGXAFHVYMS-UHFFFAOYSA-N 365.183 2.374 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)nc1 96208801 DIRFNIUTAMEQHY-YLJYHZDGSA-N 353.422 2.090 0 40 FEAB CCn1nc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1C(N)=O 96182139 FKGQMNFIESRHLA-UHFFFAOYSA-N 358.423 2.264 0 40 FEAB Cc1noc(C)c1CN1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2C 96199842 BVNJCJNSCHUKGS-QGZVFWFLSA-N 357.458 2.005 0 40 FEAB O=S(=O)(NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1)c1ccccc1 96296429 GMNUITFNNFGFMB-INIZCTEOSA-N 369.446 2.427 0 40 FEAB biogenic,in-vitro Cn1ccnc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 579926734 GMUFJEICUPKENG-LBPRGKRZSA-N 366.343 2.426 0 40 FEAB O=C(N[C@@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)c1cccnc1 96218609 KEBLGAMDFLOUAQ-CRAIPNDOSA-N 358.467 2.092 0 40 FEAB O=C(c1ccncc1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96215449 IUJRDUIYIFTAHL-VQIMIIECSA-N 353.426 2.138 0 40 FEAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1 585083159 CVFNHYVPQQEFQE-MRXNPFEDSA-N 361.877 2.302 0 40 FEAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2cc(C4CC4)on2)C3)n1 253600952 FDJMYSNTCSJBGQ-AWEZNQCLSA-N 370.409 2.103 0 40 FEAB O=C(c1cccc([C@@H]2CCCN(Cc3cscn3)C2)n1)N1CCOCC1 257285576 PHVRQAUDDLSOSR-OAHLLOKOSA-N 372.494 2.390 0 40 FEAB COc1cccc(NC(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)c1OC 85559654 CHDNMHGDQNCYTK-OAHLLOKOSA-N 358.394 2.494 0 40 FEAB CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CN([C@@H](CO)Cc3ccccc3)C(=O)O2)O1 257266183 MBXLLBCQTMHCIS-VIPLHTEESA-N 363.454 2.119 0 40 FEAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)[C@@H]1n1cccn1 667834681 PKJWVSOTGSBMHP-NUJGCVRESA-N 373.432 2.208 0 40 FEAB O=C(NC[C@@H](C(=O)O)c1ccccc1)c1nc(N2CCCC2)ncc1Cl 676026288 YNXCFHSEJIOSDD-CYBMUJFWSA-N 374.828 2.328 0 40 FEAB O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](Oc2ncc(F)cn2)C1 390829182 WYDXSQPJDKONNI-VIFPVBQESA-N 363.823 2.173 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@H]1C[C@@H]1c1cccc(F)c1 67106534 BACMVXQJUJNBDQ-KGLIPLIRSA-N 360.414 2.027 0 40 FEAB Cc1cc(C(C)(C)C)cc(C)c1CCNS(=O)(=O)N1CCOCC1 32900026 UCLKIGWMKZJBBU-UHFFFAOYSA-N 354.516 2.310 0 40 FEAB Cc1nc(I)cc(I)c1O 90560683 NEQZEMWIDPMUBC-UHFFFAOYSA-N 360.920 2.305 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2F)CC3)C1 19709549 AEKLYGWHJVDUIM-QGZVFWFLSA-N 371.460 2.201 0 40 FEAB Cc1ccc(OCCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 5986935 JZZCROYWNSBSMQ-UHFFFAOYSA-N 368.389 2.292 0 40 FEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccc1 15717916 HPNIFESQZMXIDO-UHFFFAOYSA-N 358.463 2.459 0 40 FEAB CC1(CNC(=O)Cn2c(CN3CCCCC3)nc3ccccc32)COC1 19714626 PZZQALQTMOAXJN-UHFFFAOYSA-N 356.470 2.175 0 40 FEAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cccs1 4111227 LLPAEPYKDGRXDI-UHFFFAOYSA-N 354.453 2.324 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)CSC2CCCCC2)cc1 6084343 MLMOVSUXDLMGBB-UHFFFAOYSA-N 356.513 2.059 0 40 FEAB CCN=c1cc(C)nc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)[nH]1 1888859933 WIDMNDHDSKOWFE-UHFFFAOYSA-N 366.391 2.379 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5c(C)noc5C)C[C@@H]4C3)n1)CCC2 1888869894 XGRIDBZTXZHJCM-GJZGRUSLSA-N 367.453 2.087 0 40 FEAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3ccc(OC)nc3)C2)C1 2056224925 GUYUNKYNNLGHAU-HXUWFJFHSA-N 361.486 2.445 0 40 FEAB O=C(c1ncc(Cl)cn1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565548085 QTOCBCGZIMSYDP-GOSISDBHSA-N 371.828 2.184 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 4940622 NHJGBRKVOCHYCC-CYBMUJFWSA-N 370.430 2.199 0 40 FEAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)cc1Cl 10331105 MQDWCCFUDXUSGJ-CYBMUJFWSA-N 365.817 2.299 0 40 FEAB Cc1cccc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)c1C 12422890 RFYQDXDZDJGREG-AWEZNQCLSA-N 372.450 2.158 0 40 FEAB COc1cc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2=O)ccn1 1775974154 XIVCVKZISZGLOB-UHFFFAOYSA-N 362.389 2.127 0 40 FEAB COc1ccccc1-c1ccc(=O)n(C2CN(c3nc(C)cc(C)n3)C2)n1 1775974195 DBSUVJFWDYSEQH-UHFFFAOYSA-N 363.421 2.387 0 40 FEAB Cc1nc(CN2CCN(c3ncnc(-c4ccccc4)c3F)CC2)no1 1775970953 KOOIAFAVFPGFBV-UHFFFAOYSA-N 354.389 2.296 0 40 FEAB C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc2c(c1)OCCO2 32747867 TXORJJFJWIIDEM-LBPRGKRZSA-N 355.394 2.117 0 40 FEAB CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 102341582 RNSAKRHYCKLORM-CDGCEXEKSA-N 374.466 2.187 0 40 FEAB CC(C)c1nc(CSc2nnc(-c3cccs3)n2CC(N)=O)no1 52891918 YUCSIBNQDXGQPT-UHFFFAOYSA-N 364.456 2.291 0 40 FEAB C[C@H](NC(=O)NC(=O)COC(=O)c1cccc(O)c1)[C@H]1C[C@H]2CC[C@H]1C2 103322464 GVFXYIGOTIRYLN-WFGGJUAMSA-N 360.410 2.200 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 804597 XHLUZVFXISRGCO-INIZCTEOSA-N 352.456 2.225 0 40 FEAB CCOc1ccc(N([C@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 912632 VMRKPKSCLUCXBV-OAHLLOKOSA-N 368.499 2.498 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 23439600 USBSAGDADXRZTE-UHFFFAOYSA-N 361.375 2.126 0 40 FEAB COC(=O)[C@H](CNc1ccccc1)[C@@](O)(c1nccn1C)C(F)(F)F 24927081 WGRAIYRARNLEJO-SWLSCSKDSA-N 357.332 2.071 0 40 FEAB COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC 3255035 MNHJXDKSOGCBIU-UHFFFAOYSA-N 368.389 2.006 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)cc1F 55559892 DUTVNXDJQRMYCB-UHFFFAOYSA-N 370.428 2.193 0 40 FEAB C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106857932 FOMOBTUFVNFADX-ATIWLJMLSA-N 373.497 2.367 0 40 FEAB C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)C[C@@H](C)O1 56062423 FCRVOQAMUDHJKR-CHWSQXEVSA-N 367.496 2.235 0 40 FEAB CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)N1CCOCC1 26062225 CJMPJABXOYLFBO-NVXWUHKLSA-N 352.450 2.456 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](CC(C)C)N2CCOCC2)c1 26233925 JUBRGSMZJZBQCB-KRWDZBQOSA-N 354.516 2.329 0 40 FEAB CCn1c(-c2ccco2)nn(CN2CCN(c3ncccn3)CC2)c1=S 57395133 ASPNSCKNJQEGGW-UHFFFAOYSA-N 371.470 2.264 0 40 FEAB Cc1cccc(OCCN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 44740462 CYIQEAMBBRCQTL-LJQANCHMSA-N 359.514 2.392 0 40 FEAB O=C(Cn1cc(Br)ccc1=O)NCCc1ccc(F)cc1 21472035 ORNQJMSQSAZSBK-UHFFFAOYSA-N 353.191 2.109 0 40 FEAB CCN1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 36090874 FLYGAHOZQGQZKB-UHFFFAOYSA-N 353.271 2.328 0 40 FEAB COc1ccccc1CN(C)Cc1nnc2n(C)c(=O)c3ccccc3n12 12543135 PFLKZXULERBBAD-UHFFFAOYSA-N 363.421 2.222 0 40 FEAB O=C(NCc1ccco1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58209153 YGTXKSSRAFDXMR-DLBZAZTESA-N 365.389 2.170 0 40 FEAB CN(c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1F)C1CCCCC1 58245095 YRQCVQJVRYSXHK-UHFFFAOYSA-N 374.416 2.083 0 40 FEAB CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1 58340951 QLWGLSQWWIWKJM-INIZCTEOSA-N 374.828 2.057 0 40 FEAB CN(CCOc1ccccc1F)CC(=O)Nc1nnc([C@@H]2CCCO2)o1 58307056 VQOVUOWAWXJPKZ-AWEZNQCLSA-N 364.377 2.010 0 40 FEAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NC3CC3)cc2)o1 36358105 WRCWWMFNEXZPRV-UHFFFAOYSA-N 364.423 2.001 0 40 FEAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57613871 YFFIAVCPVRREGE-LJQANCHMSA-N 372.517 2.456 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 100634896 JDRAQFXCNZIIPO-VAXKSQPESA-N 357.406 2.101 0 40 FEAB CCN1C[C@@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O 46141799 WTVWCMXNRQDZIR-HNNXBMFYSA-N 367.453 2.478 0 40 FEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc2c(c1)CC(=O)N2 46224398 RWQQMJVOWIPGGY-DOMZBBRYSA-N 355.438 2.150 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(Cn2cccn2)cc1 12625783 NLYYYUOZJPGBSB-UHFFFAOYSA-N 373.416 2.027 0 40 FEAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(N)=O 3499978 DHIJALBVPNOHGB-SECBINFHSA-N 372.764 2.171 0 40 FEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 113957072 SROKPBZVPFNRSR-GFCCVEGCSA-N 368.405 2.436 0 40 FEAB CCc1cc2c(=O)n(NC(=O)c3ccc4c(c3)OCCO4)cnc2s1 6967285 SWKHZQXCLVRVES-UHFFFAOYSA-N 357.391 2.176 0 40 FEAB NC(=O)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 7848401 DLGSPXLPWNMSHZ-UHFFFAOYSA-N 373.840 2.167 0 40 FEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 70017894 AJPVUCJOHXFWET-FVQBIDKESA-N 366.483 2.488 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSc1nc2sccc2c(=O)[nH]1 8456417 JVSCQPXOZSXJFJ-UHFFFAOYSA-N 357.416 2.373 0 40 FEAB Cn1nccc1C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212593 WHDOLAJAOOVUJL-UHFFFAOYSA-N 350.426 2.209 0 40 FEAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 84008621 KFTZTUBLQNHUJR-NVXWUHKLSA-N 359.401 2.395 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=CC=NN21 18043642 OTVBENCTKQALNB-YHUYYLMFSA-N 369.396 2.155 0 40 FEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 9869850 ZEYXHRHCQJGAFQ-UHFFFAOYSA-N 363.391 2.435 0 40 FEAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Cc1ccccc1F 89662351 ZJEBYLKCBKRJBB-GJZGRUSLSA-N 352.406 2.119 0 40 FEAB CC1=CC(C)(C)N(C(=O)CNCCN2CCOCC2)c2cc(C)ccc21 22584019 MLYVCKRLYFPYHE-UHFFFAOYSA-N 357.498 2.445 0 40 FEAB COc1ccccc1O[C@@H](C)C(=O)N1CCN(CCc2ccccn2)CC1 20897245 NKPKNXKKOUGPDP-KRWDZBQOSA-N 369.465 2.244 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)n2ncnc2n1 35311002 DURLQEANSBPZLY-OAHLLOKOSA-N 368.416 2.105 0 40 FEAB CCn1cnc2c(N[C@H]3CCN(C(=O)CCc4ccccc4)C3)ncnc21 531798175 MIGSJOYPWHUBGX-INIZCTEOSA-N 364.453 2.492 0 40 FEAB O=C(NCC1CC1)c1ccc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc1 72374417 HKACZCOJKXIZFW-GOSISDBHSA-N 371.481 2.497 0 40 FEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635528 JSPWQBFTYDAXFI-STQMWFEESA-N 370.471 2.443 0 40 FEAB CC(C)C(NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)C(C)C 219661309 LDVFXRGQMDEFMQ-UHFFFAOYSA-N 352.456 2.018 0 40 FEAB Cc1cc2c(s1)c1cnn(CC(N)=O)c(=O)c1n2Cc1ccc(F)cc1 72334534 BVFLKLVLBIHBLU-UHFFFAOYSA-N 370.409 2.394 0 40 FEAB CCN1CCC(CNC(=O)c2cccn(Cc3ccccc3)c2=O)CC1 63827752 XFQSXCYLLAQKQR-UHFFFAOYSA-N 353.466 2.358 0 40 FEAB COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC(F)(F)F)n2)cc1 44213872 MJZPVQBABLUZEM-JTQLQIEISA-N 355.316 2.158 0 40 FEAB C[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 572776395 LKASRJMSIPUNSO-GDBMZVCRSA-N 360.483 2.217 0 40 FEAB CO[C@@]12C[C@@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 85811549 BMDMNLBIKSAWCI-WRVMICFLSA-N 364.445 2.067 0 40 FEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1F 222916878 ULYVTELYZQPHPZ-HNNXBMFYSA-N 358.413 2.410 0 40 FEAB CC(C)NC(=O)[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2 96240790 OBVUAKZTKFNZTI-CQSZACIVSA-N 366.408 2.358 0 40 FEAB Cc1nc(COC[C@]23COC[C@H]2CN(CC2CCOCC2)C3)cs1 96108920 OVVSMXHCLIIARD-AEFFLSMTSA-N 352.500 2.343 0 40 FEAB Cc1nc(C(=O)N2Cc3ccnn3C[C@H](OCc3cccnc3)C2)cs1 248025315 KFYSNGUCZWAWSW-MRXNPFEDSA-N 369.450 2.284 0 40 FEAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1 247866817 OXYVCWSJBYVMQU-SFHVURJKSA-N 352.394 2.041 0 40 FEAB COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)CN1CCCC1 257310045 UDLPPFOIJJFBLP-QGZVFWFLSA-N 354.454 2.379 0 40 FEAB COCc1cccc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)c1 257228192 FSTIALVZFFNSFJ-GOSISDBHSA-N 355.438 2.405 0 40 FEAB Cn1ccnc1CN1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 257274371 NKTKWNNMDZPNNP-INIZCTEOSA-N 363.425 2.195 0 40 FEAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)n1 257280290 OKIAEHYWSRIZRH-KRWDZBQOSA-N 353.378 2.049 0 40 FEAB C[C@]1(NC(=O)c2cncc(Cc3ccccc3F)c2)CCS(=O)(=O)C1 257308129 TVNBVXGWQFYNCT-SFHVURJKSA-N 362.426 2.119 0 40 FEAB Cc1cc(C)nc(Nc2cc(C3CCN(CC(=O)N(C)C)CC3)ccn2)n1 257211366 BYPMORDMCHMDFO-UHFFFAOYSA-N 368.485 2.500 0 40 FEAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)nc1 257218605 DDTVWJPELDEVQS-GOSISDBHSA-N 356.426 2.229 0 40 FEAB COCCN1CCC(Cc2nccnc2-c2cncc(C(=O)O)c2)CC1 257301842 SAEYSLIBXHNCEQ-UHFFFAOYSA-N 356.426 2.138 0 40 FEAB Cn1nccc1CN1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 257324632 WPOHVXQXUIEXQN-KRWDZBQOSA-N 363.425 2.195 0 40 FEAB C[C@@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CO1 668291988 ZVCFKVYDHAKGDB-ZYHUDNBSSA-N 356.216 2.287 0 40 FEAB CO[C@@H]1CCN(C(=O)COc2ncccn2)C[C@H]1Cc1ccc(F)cc1 585277968 YWAOHJOXJHVQGN-NVXWUHKLSA-N 359.401 2.101 0 40 FEAB CC(C)(C)c1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)ncn1 1776008829 PKRIERKERHYCKC-UHFFFAOYSA-N 364.453 2.109 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O 40443130 ZOHDMZDTYNCUBC-HUUCEWRRSA-N 350.415 2.283 0 40 FEAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@]2(CCCOC2)C1 585082119 JQVFRABKPYYXAU-MRXNPFEDSA-N 372.874 2.354 0 40 FEAB O=c1nc2s/c(=C/c3ccc(Cl)cc3)c(=O)n2nc1-c1ccccc1 5775408 UMJQVLZVYOPVRY-GXDHUFHOSA-N 367.817 2.379 0 40 FEAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCOCC1 12600565 QXIGOTZGDUFANA-GVEAZFNLSA-N 358.419 2.138 0 40 FEAB Cc1csc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 12980375 FFUDAWFLMWRLPH-CYBMUJFWSA-N 351.453 2.243 0 40 FEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1C 16692215 JARMGUZLBXRODS-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ccnc3ncnn23)c1 19564305 WGAQOYPUROWRPM-MRXNPFEDSA-N 351.410 2.429 0 40 FEAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)C2 19753078 VGEATNLIQHIRHX-MRXNPFEDSA-N 357.433 2.159 0 40 FEAB Cc1cccc(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c1 19234800 BOPIKEXRVFXSIH-KRWDZBQOSA-N 350.466 2.379 0 40 FEAB COc1ccc(C(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cn1 681025040 ZPMSLDCZKAWBLR-HNNXBMFYSA-N 352.456 2.052 0 40 FEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cc3cccs3)CC2)c1=O 575607063 UQSRPYMXPLUJMO-UHFFFAOYSA-N 374.388 2.068 0 40 FEAB CCS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@H]2C1 1888869826 GXYGELSSLNISOL-GJZGRUSLSA-N 362.499 2.335 0 40 FEAB Nc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)nc2ccccc12 24498399 QBFOHPVSRZBWED-UHFFFAOYSA-N 365.412 2.309 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238827302 FBGZOAZRWGMATF-VIFPVBQESA-N 355.272 2.447 0 40 FEAB COc1cc(CCC(=O)N2CCC(c3ccn4nccc4n3)CC2)on1 2037774053 GEBRTKDYYCNINN-UHFFFAOYSA-N 355.398 2.065 0 40 FEAB O[C@@H]1[C@@H](N2CCN(c3ncccn3)CC2)CCC[C@H]1Oc1ccc(F)cc1 2037958858 FNUODSFJZONUDV-IPMKNSEASA-N 372.444 2.099 0 40 FEAB COCCOC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056225767 BDTNLTXNENUFQP-OAHLLOKOSA-N 356.438 2.365 0 40 FEAB COc1ccc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 4568909 WAXXVYIMANUYLZ-INIZCTEOSA-N 374.462 2.278 0 40 FEAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 10331048 QCUXVMJTZIDLTC-CYBMUJFWSA-N 353.781 2.430 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 40091339 ZWTVOKBXRWDHIR-SJLPKXTDSA-N 351.516 2.217 0 40 FEAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)o3)CC2)nc1 30432702 JISWOJRDTGLAJZ-UHFFFAOYSA-N 363.801 2.467 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1cccc(Cl)c1 40113682 DJSARGBKOOPYKG-UHFFFAOYSA-N 357.797 2.245 0 40 FEAB CCOc1ccc(CN(C)C(=O)Cn2ncc3ccccc3c2=O)cc1 32888198 FOTKCSDCYWDPHF-UHFFFAOYSA-N 351.406 2.454 0 40 FEAB O=C(NCCCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCC1 32899973 YSLKLACQBNFEOP-UHFFFAOYSA-N 373.501 2.142 0 40 FEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3sccc3C2)s1 21890794 OLBNYGLDUUISJN-UHFFFAOYSA-N 356.494 2.193 0 40 FEAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)NC[C@@H]1CCCO1 32957439 HALIEASLPQGYRQ-STQMWFEESA-N 362.455 2.052 0 40 FEAB CCCCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)n[nH]c1=O 53506064 SHWDGVUJTVKYPA-UHFFFAOYSA-N 366.491 2.133 0 40 FEAB COc1ccc(-c2cc(COC(=O)CN(C)c3ncccn3)on2)cc1 23173575 GTHGMGWISITKDZ-UHFFFAOYSA-N 354.366 2.320 0 40 FEAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N[C@@H]1CCCc2ccccc21 104897327 WTXUVCIMQCRADN-BFERYNQYSA-N 374.462 2.160 0 40 FEAB COCCN(Cc1cccs1)S(=O)(=O)c1cccc(C(=O)OC)c1 24366762 QDAGPMFJPTUSEC-UHFFFAOYSA-N 369.464 2.372 0 40 FEAB C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2nncs2)C1 47631972 IBNLFMBBWPJRST-STQMWFEESA-N 365.503 2.026 0 40 FEAB Cc1c(F)c(N2CCN[C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 967787 AIJTTZAVMXIJGM-JTQLQIEISA-N 359.401 2.280 0 40 FEAB world O=C(c1cnccn1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3956013 RNZWVGRNVNUQBG-UHFFFAOYSA-N 351.454 2.390 0 40 FEAB CCNC1=N[C@@H](NCC)N2C(SCC(=O)c3ccccc3)=CN=NC2=N1 4528820 VRAAVQLTVOHHLQ-MRXNPFEDSA-N 371.470 2.397 0 40 FEAB CC(C)[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC(N)=O 7737385 FVZWFOYDNVBQNI-MRXNPFEDSA-N 357.410 2.423 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 7917312 OXISNGPCIGWYLG-LBPRGKRZSA-N 364.423 2.009 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccccc2)s1 26055544 DZNMLSPOIWTNAC-UHFFFAOYSA-N 352.481 2.247 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)CC1 100747535 SZBLOSCEKWJJPF-YQQAZPJKSA-N 358.486 2.034 0 40 FEAB CNc1snc(C)c1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 58193560 ZAIJCJHJBIXLEU-SECBINFHSA-N 368.484 2.356 0 40 FEAB O=C(NCCNC(=O)c1ccc(O)cc1)N[C@@H]1CCCOc2ccccc21 58292534 PDZNMZDMWPKOSV-QGZVFWFLSA-N 369.421 2.335 0 40 FEAB CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2152966 LELAZSWZMLVOQI-CQSZACIVSA-N 361.394 2.418 0 40 FEAB biogenic Cc1cc(C)c2c(c1)[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)CCO2 58230976 NTTGDTCIAUVOSB-INIZCTEOSA-N 360.435 2.204 0 40 FEAB Cc1ccoc1C(=O)NC1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 58324017 DYKRKLKAQRUWES-UHFFFAOYSA-N 352.394 2.499 0 40 FEAB Cc1nc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)nn1-c1ccc(F)cc1 58441155 ZNCQAXHASVXDTQ-UHFFFAOYSA-N 355.255 2.104 0 40 FEAB Cc1cc(C)c(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)c1 10924980 GVBUSTUREVKXPU-UHFFFAOYSA-N 353.378 2.159 0 40 FEAB CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1 11519811 UUTSFINXOGFLFQ-UHFFFAOYSA-N 354.435 2.404 0 40 FEAB COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(O)c1 28734766 LIBILWPJRWKWPN-UHFFFAOYSA-N 352.394 2.463 0 40 FEAB O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@H]1c1ccsc1 46915458 HRPMBOTYVWXRLR-HNNXBMFYSA-N 365.480 2.175 0 40 FEAB CS(=O)(=O)Cc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1 12744111 DEAFUZGZBJHFEZ-MRXNPFEDSA-N 374.462 2.159 0 40 FEAB CC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cc(C)on1)c1cccs1 12704781 OSPPWNIJRALDSL-PWSUYJOCSA-N 365.411 2.182 0 40 FEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O 12776218 HDGNIYQEXKWXRL-UHFFFAOYSA-N 361.467 2.134 0 40 FEAB C[C@H](On1nnc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 3352540 XIWQWINODCHMQP-JTQLQIEISA-N 365.821 2.060 0 40 FEAB NC(=O)[C@H]1CN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CCN1 12897219 KQUWRHQAZIEJPX-CYBMUJFWSA-N 373.869 2.275 0 40 FEAB O=S(=O)(Cc1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 84538974 AIPAEYAHUASTPY-IBGZPJMESA-N 360.479 2.007 0 40 FEAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccccc2C)c1 12807294 MCXWTIMXSQJTLZ-UHFFFAOYSA-N 350.415 2.015 0 40 FEAB CS(=O)(=O)NCCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 12945213 OMQRPGHHIFLZIR-UHFFFAOYSA-N 366.414 2.174 0 40 FEAB COc1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c(OC)c1 12979907 AFHPSBUJQJIEGE-GOSISDBHSA-N 356.378 2.456 0 40 FEAB COc1ccc(/C=C2\NC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1C 13119188 MYYDUXJSCGEXLY-GFAPJHNFSA-N 362.451 2.249 0 40 FEAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cc2c1C 83014157 IXUVUZRJFPCZKQ-GOSISDBHSA-N 355.438 2.294 0 40 FEAB CCCCNC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 39588615 NKAJRQRSOCGDPP-BQYQJAHWSA-N 351.399 2.185 0 40 FEAB C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 6530706 ZWJUTBDHZFHMLK-SNAWJCMRSA-N 356.451 2.448 0 40 FEAB aggregator COc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(=O)N(C)C 5783710 IPULYIRLZAMPAN-CYBMUJFWSA-N 368.231 2.174 0 40 FEAB CN1C[C@]2(CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)CC2)OC1=O 72145519 YBXXLRAPHOGORY-LJQANCHMSA-N 370.409 2.229 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)Cc2ccc(C)cc2)cc1OC 7069742 NBDHTTSQCLICCQ-UHFFFAOYSA-N 371.433 2.457 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccn1 15711596 NZTHYRQKERJDBE-UHFFFAOYSA-N 359.451 2.315 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCCc1ccccc1 9500441 SWIMCKXSGXTYTA-UHFFFAOYSA-N 357.454 2.380 0 40 FEAB NC(=O)Cc1ccc(C(=O)CSc2nnc(NC3CC3)s2)s1 8327209 KXKVXJWFXCCJHO-UHFFFAOYSA-N 354.482 2.177 0 40 FEAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(Cl)ncn2)CC1 95458371 WYQCIXFHTMGLIP-UHFFFAOYSA-N 370.837 2.088 0 40 FEAB NC(=O)c1cn(C2CN(c3nc(-c4ccccc4)nc4ccccc34)C2)nn1 95999400 SGGSTOXKJSKHCX-UHFFFAOYSA-N 371.404 2.049 0 40 FEAB CN(C)[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 89313994 XOSMGDBXDMIMDM-HZPDHXFCSA-N 359.470 2.181 0 40 FEAB NC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc12 89807643 ZZIPXWRGTJOLAI-UHFFFAOYSA-N 356.816 2.178 0 40 FEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O 23220644 NUYWYRQWTLMGKK-LKFCYVNXSA-N 357.193 2.376 0 40 FEAB Cc1cc(C(=O)NCCCn2nc(C)c(Br)c2C)n(C)n1 28573295 ZCJDJXOKRVRYDI-UHFFFAOYSA-N 354.252 2.124 0 40 FEAB Cn1nnc(-c2ccccc2NC(=O)CC2(n3cccc3)CCOCC2)n1 524733472 MLTXULUCYGXZQM-UHFFFAOYSA-N 366.425 2.213 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3nn(C)c4ccccc34)CC2)cc1 527963664 BJXXREXECLDNCE-UHFFFAOYSA-N 362.433 2.480 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCCN3CCc3ccccc3)n2CC1 72372806 NVHBCYFCBLXNQF-IBGZPJMESA-N 367.497 2.452 0 40 FEAB COc1ccccc1NC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224148184 KMSOLNXNIOAASW-UHFFFAOYSA-N 372.429 2.032 0 40 FEAB Cc1cc2nc(CSc3nnc(NC(=O)C4CC4)s3)cc(=O)n2o1 41085771 UXCDASVHVMFOJP-UHFFFAOYSA-N 363.424 2.088 0 40 FEAB COC(=O)CSc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 223218414 DVBZIRIFXNPSRG-UHFFFAOYSA-N 367.452 2.438 0 40 FEAB CCC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCCC1 333593482 LNCWCXSHOXHUKH-ZWKOTPCHSA-N 364.534 2.293 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)O)c12 95095764 XLMNRNHLAJSLBR-JTQLQIEISA-N 351.428 2.095 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96158341 OQMUFNBYDFPEFI-LJQANCHMSA-N 355.417 2.072 0 40 FEAB Cc1ccccc1OCC(=O)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 248006962 GYXVXMKBWYUDDB-INIZCTEOSA-N 369.421 2.003 0 40 FEAB O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247854377 JYGNGLDZMQNTDJ-HNNXBMFYSA-N 357.385 2.316 0 40 FEAB Cc1nc2ccc(C(=O)N3CCO[C@H](CCc4ccncn4)C3)cc2[nH]1 257269668 MQWKSACGVOEIKA-MRXNPFEDSA-N 351.410 2.135 0 40 FEAB Cc1ccccc1CN1CCN(C(=O)Cn2cnc3c2CCCC3)CC1 543626310 YSWLDJRCDSDXEW-UHFFFAOYSA-N 352.482 2.415 0 40 FEAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(C(=O)O)cc2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257241841 HZVYWMNJHGJSIC-LYYGHALDSA-N 359.422 2.437 0 40 FEAB C[C@H]1c2nc(C(=O)NC3CCC3)cn2CCN1Cc1ccc2c(c1)OCO2 253591078 IYSWLRPEZMNPAM-ZDUSSCGKSA-N 368.437 2.471 0 40 FEAB CC[C@@H](NC(=O)c1snnc1C1CC1)C(=O)NCc1cccs1 648559131 HSJTUEVYQAIONI-LLVKDONJSA-N 350.469 2.302 0 40 FEAB CCCc1nnc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)s1 1775957572 BJUUYGCLDCADHF-VHSXEESVSA-N 352.420 2.176 0 40 FEAB CSCC1(CCNC(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 596735061 LIBNLYIDOSTIMX-MRXNPFEDSA-N 355.548 2.416 0 40 FEAB C[C@@H](C[S@](C)=O)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1O 597495303 JTMBSSIXCACILS-VCGICTTQSA-N 355.847 2.070 0 40 FEAB CO[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@]12C[C@@H](c1ccccc1)CO2 585288172 PPRXKPYOWYNAMO-MBOZVWFJSA-N 354.406 2.201 0 40 FEAB O=C(Nc1cccc(F)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188782 PTULMMPWLRRLNJ-ZDUSSCGKSA-N 363.414 2.123 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)CN(C)S(=O)(=O)c1ccccc1)CCO2 672228617 ZHJKPNYFAGHJOJ-UHFFFAOYSA-N 374.462 2.037 0 40 FEAB COc1cc(NC(=O)c2snc3c(O)ncnc23)cc(OC)c1OC 13564154 RIWWZKYQBXBIMB-UHFFFAOYSA-N 362.367 2.070 0 40 FEAB COCCC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 19579236 IUENOPJZAAYGBH-KRWDZBQOSA-N 355.438 2.369 0 40 FEAB CCOc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)cc1 21152354 LZYQUXYQMNYNRY-LJQANCHMSA-N 357.454 2.227 0 40 FEAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc(F)cc1 6914143 IKKWKFHGSVRSHI-CYBMUJFWSA-N 350.419 2.009 0 40 FEAB Cc1nc(N2CCN(Cc3cccc(F)c3)CC2)cc(-n2cccn2)n1 1889186293 IBFGRJLRQZYFGY-UHFFFAOYSA-N 352.417 2.432 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)n(C)n1 2056223326 GCKBXJDYPNNIDK-IBGZPJMESA-N 354.458 2.041 0 40 FEAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614940847 PXCPDAJSVBTJAK-CYBMUJFWSA-N 372.400 2.043 0 40 FEAB O=C1C=C(N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(F)cc1 1441541 GLRXKNVCEYPBBO-UHFFFAOYSA-N 367.380 2.111 0 40 FEAB Cc1ccc(CNC(=O)CSc2nc(=O)n3cccc(C)c3n2)cc1 4504110 NUWRKJZWDHBVRM-UHFFFAOYSA-N 354.435 2.115 0 40 FEAB CCCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12009521 KCKWHDVVNAEURB-UHFFFAOYSA-N 353.382 2.443 0 40 FEAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1Cl 20616774 QWRKTGISOOFJTN-UHFFFAOYSA-N 357.797 2.050 0 40 FEAB O=C(CCCNC(=O)OCc1ccccc1)Nc1nnc2ccccn12 40154024 QHOGWTREHFBEKK-UHFFFAOYSA-N 353.382 2.374 0 40 FEAB O=C(NCCC(=O)N1CCc2sccc2C1)c1n[nH]c2ccccc12 52081406 GTZLHHWCSGWUCA-UHFFFAOYSA-N 354.435 2.329 0 40 FEAB O=C(CCNC(=O)c1ccco1)Nc1nnc(Cc2ccccc2)s1 32971616 BHDMEEUSTWPZAM-UHFFFAOYSA-N 356.407 2.481 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)s1 21905468 RCEFRRAUJJYURC-ZIAGYGMSSA-N 370.540 2.492 0 40 FEAB CCOC(=O)c1sc2nc(CN3C[C@@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 33409935 JNPHOWPHAGCTGA-NXEZZACHSA-N 365.455 2.079 0 40 FEAB O=S1(=O)CC[C@H](Cc2nnc(SC[C@H]3CC3(Cl)Cl)o2)C1 22327643 ZOLHRFLKWJPURD-HTQZYQBOSA-N 357.284 2.333 0 40 FEAB C[C@]1(NC(=O)Cc2csc(-c3cccs3)n2)CCS(=O)(=O)C1 22550314 GTIRCCGTCYTKSX-AWEZNQCLSA-N 356.494 2.108 0 40 FEAB Cc1nn(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 42605160 NHYLBFXOMKDSHL-ZDUSSCGKSA-N 373.409 2.382 0 40 FEAB C[C@]1(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)CC1(Cl)Cl 47694639 IQEHMLIJIJECMM-PRHODGIISA-N 363.270 2.299 0 40 FEAB CCO[C@@H]1CCC[C@H](n2cnc3c(I)ncnc32)O1 1677272 XQWOMJKBDAYVKF-BDAKNGLRSA-N 374.182 2.493 0 40 FEAB Cc1c(O)ccc2c(CC(=O)NCC3CCC(C(=O)O)CC3)cc(=O)oc12 2105285 AAGZXUAWWBZQIW-UHFFFAOYSA-N 373.405 2.357 0 40 FEAB biogenic CC(C)C(=O)N1CCC(NC(=O)c2ccc(Cn3cccn3)cc2)CC1 25289187 XXWMYBWNCYWXPS-UHFFFAOYSA-N 354.454 2.308 0 40 FEAB C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 4984973 DBKIYMMKUVZIGI-PBHICJAKSA-N 355.438 2.039 0 40 FEAB CC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7387508 DDDLMOZUXZJSIN-UHFFFAOYSA-N 369.771 2.439 0 40 FEAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 57784902 ZBJLULOAFNPZPO-SJORKVTESA-N 362.426 2.282 0 40 FEAB Cn1c(=O)c([C@]2(C)NNC(=O)N2c2ccccc2)c(O)c2ccccc21 100362550 DWCYDLOLOLBCAK-LJQANCHMSA-N 350.378 2.151 0 40 FEAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)cc2oc1=O 2092285 QQTMBJGUWXTVJY-WBMJQRKESA-N 361.394 2.403 0 40 FEAB biogenic O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 58181623 HCMGXCZOAUNGTH-CQSZACIVSA-N 374.510 2.417 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2cccnc2SC(F)(F)F)n1 58174232 AEIIIKLXCITWHI-UHFFFAOYSA-N 362.358 2.430 0 40 FEAB Cc1cc(C(=O)NCC(=O)NCCN2CCCc3ccccc32)c(C)o1 58174850 GPRMRJNNJUCCGA-UHFFFAOYSA-N 355.438 2.195 0 40 FEAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 9303260 VZPFGJLFJNPDHJ-AHXJXLJNSA-N 353.403 2.068 0 40 FEAB O=C(CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1)N1CCCC1 58296266 VWNOCCGDFJNTIZ-UHFFFAOYSA-N 360.408 2.257 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C1CC1 75109602 PRPFEBJHINLGEC-GFCCVEGCSA-N 362.245 2.069 0 40 FEAB COc1ccc(OC)c(/C=C2/SC(=S)N(N3CCOCC3)C2=O)c1 2441142 CSTCFICNXPPMQI-GXDHUFHOSA-N 366.464 2.152 0 40 FEAB CCOC(=O)N[C@@H](CNC(=O)COCc1cccc(OC)c1)CC(C)C 46786096 TUHMWOJUGQTQJZ-MRXNPFEDSA-N 366.458 2.489 0 40 FEAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 76315161 ZAWOCLRDIHBKBO-CHWSQXEVSA-N 359.513 2.180 0 40 FEAB O=C1CCc2cc(OS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2N1 22413901 KDEBUBQKJJMCGA-UHFFFAOYSA-N 372.402 2.224 0 40 FEAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425683 WAHAIJNNRILITK-UHFFFAOYSA-N 355.485 2.113 0 40 FEAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)CCc1cnccn1 95458251 TXIJUMSYGUZZKA-ZDUSSCGKSA-N 350.430 2.223 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(-n2cccn2)cc1 48309836 MTWCEDXUPKRYOS-UHFFFAOYSA-N 361.467 2.236 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)nnn1-c1ccc2ncccc2c1 95431397 IJJRBISZWAKPEQ-GDBMZVCRSA-N 365.437 2.357 0 40 FEAB CCn1nnc2cc(C(=O)NCC(=O)Nc3cccc(C)c3C)ccc21 12974242 POQCBMXIJSBZLA-UHFFFAOYSA-N 351.410 2.437 0 40 FEAB O=C(O)C[C@@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(F)cc1 13182967 QIEPSVCBRWDWPA-NEPJUHHUSA-N 362.386 2.470 0 40 FEAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 3910129 FDCPADXXIFVMAK-LBPRGKRZSA-N 357.435 2.129 0 40 FEAB COC(=O)c1cc(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc(C(=O)OC)c1 6268277 GHWHQACDUHQSMW-STQMWFEESA-N 363.410 2.143 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccc2c(c1)OCCO2 14158463 IIADVLITUQXVBR-UHFFFAOYSA-N 354.406 2.372 0 40 FEAB Cc1ccc(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)s1 14201277 SUZAQDIHFLNHKG-SNVBAGLBSA-N 371.509 2.062 0 40 FEAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 14202437 XAMXRKONEHGVPC-PHIMTYICSA-N 367.298 2.480 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCCCCCC2)c1 6839508 ZMGHTOGZYVCQSH-UHFFFAOYSA-N 362.426 2.464 0 40 FEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 71846858 CSWTYMKTCGEGDW-CVEARBPZSA-N 374.462 2.481 0 40 FEAB Cc1sc2ncnc(SCC(=O)N3CCCC[C@H]3C(N)=O)c2c1C 7480540 ZSMQLIQKIGBNPB-NSHDSACASA-N 364.496 2.267 0 40 FEAB CCN(C(=O)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7688483 DIABKCBHDSDIPZ-UHFFFAOYSA-N 370.453 2.100 0 40 FEAB CCOC(=O)c1sc2nc(CSc3nncn3C)nc(N)c2c1C 9616925 XLSRXXJXTSIGOV-UHFFFAOYSA-N 364.456 2.179 0 40 FEAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 8327917 KKPHFAHPEFHHOS-WBMJQRKESA-N 373.482 2.460 0 40 FEAB CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[C@H](CN)C1 97228993 DTIOEVOVJUCVNF-OAHLLOKOSA-N 363.383 2.486 0 40 FEAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72360003 HNYPBGJQEQSZNO-CQSZACIVSA-N 361.471 2.371 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](Oc2cnsn2)C1 675008041 QWKMNJANVVGMSF-CQSZACIVSA-N 365.480 2.259 0 40 FEAB O=C(NC1CCN(c2nccs2)CC1)N1CC[C@]2(CCCOC2)C1 503905994 DQRZNSCPRYKKCK-QGZVFWFLSA-N 350.488 2.324 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 408548041 CHMRIYPWSVQZGJ-XNTDXEJSSA-N 353.378 2.160 0 40 FEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 33770847 ZHQMSENGCXTUOR-CQSZACIVSA-N 368.499 2.319 0 40 FEAB Fc1ccc(-c2n[nH]c(CNC3CCN(c4cnccn4)CC3)n2)cc1 539121397 GMIXUTGEMCZCSB-UHFFFAOYSA-N 353.405 2.159 0 40 FEAB C/C=C(/C)C(=O)O[C@@H]1[C@H]2O[C@H]2[C@@]2(CO2)[C@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 35458200 SZSNPNCTSHASFJ-XSIKHBHISA-N 362.422 2.008 0 40 FEAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1F 30332641 SWTOAFUXYSEDKR-UHFFFAOYSA-N 355.387 2.200 0 40 FEAB O=C(Cn1nnc2ccccc21)Nc1ccn(Cc2ccccc2F)n1 32647775 ZEBJTLUEOIUJSV-UHFFFAOYSA-N 350.357 2.454 0 40 FEAB C[C@@H](NC(=O)c1ccn(COc2ccc(F)cc2)n1)C(=O)N1CCCCC1 72250018 RICHNDMSYLWBTH-CQSZACIVSA-N 374.416 2.190 0 40 FEAB O=C(NCCOc1ccc(F)cc1)c1nnn(-c2ccc(Cl)cc2)n1 75163613 OQZGZLHGNFXPAG-UHFFFAOYSA-N 361.764 2.264 0 40 FEAB COc1ccc(C(=O)Nc2ccccc2SC)cc1S(N)(=O)=O 223039143 DQGSEWBVFFVAQO-UHFFFAOYSA-N 352.437 2.317 0 40 FEAB CC[C@H](Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)[nH]1)C(=O)O 224975595 CGCBVFXRFKBTPF-NSHDSACASA-N 353.400 2.453 0 40 FEAB COc1ccc(C(N)=O)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224786827 AIWIEWUHYUIAKP-UHFFFAOYSA-N 368.842 2.268 0 40 FEAB Cc1ccc(N2CCCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)nn1 334052151 SNAUUFNALZSAKQ-GOSISDBHSA-N 352.438 2.218 0 40 FEAB COc1ccc(OC[C@H](O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 95117180 IQYADUGQMHSEQD-OAHLLOKOSA-N 369.414 2.040 0 40 FEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H]1CCCc1ccccc1 248997764 PJXDWVYESGBKBY-NVXWUHKLSA-N 352.500 2.280 0 40 FEAB Cn1nccc1CN1C(=O)N(CC2CC2)[C@@H]2[C@H](c3cncnc3)CC[C@@H]21 257202451 ALVDLGIIYXVOIN-OKZBNKHCSA-N 352.442 2.173 0 40 FEAB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)OC)c1 1775964814 FDAYIBWMIAHSBA-LBPRGKRZSA-N 352.387 2.421 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)C1 630284140 VTUPITCESNVUKG-XUWVNRHRSA-N 364.486 2.373 0 40 FEAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(N2CCCCC2)cc1 643949102 FYWOUIBSBUHRLG-HXUWFJFHSA-N 359.470 2.044 0 40 FEAB COc1ccc(Cn2nnc(C(=O)NCc3ccn(C(C)C)n3)c2C)cc1 651363573 AIOJORKKTOTZGY-UHFFFAOYSA-N 368.441 2.351 0 40 FEAB O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CC[C@@H](O)C1 651427359 WIOSVPWZSCVBII-LLVKDONJSA-N 352.316 2.446 0 40 FEAB Cc1nc2ccc(NC(=S)NC[C@@H]3CCS(=O)(=O)C3)cc2s1 575420866 FVAWYVYUOQXRIY-JTQLQIEISA-N 355.510 2.326 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@H]12 585109413 NQKFTUHJBJTTMO-ZHALLVOQSA-N 370.474 2.223 0 40 FEAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)Cc3ccccc3)o2)c1 5240562 USPFDTDHQSMANE-UHFFFAOYSA-N 357.391 2.321 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccc(OC(F)F)cc1 5296196 JELMFVZNGFBVPE-UHFFFAOYSA-N 373.359 2.357 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5350986 ZKWBQRZKGRMDKW-MRXNPFEDSA-N 350.459 2.185 0 40 FEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)CCC#N)cc1 11211461 WWESASMUHOSCRO-MRXNPFEDSA-N 358.467 2.392 0 40 FEAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnoc1 12220322 RBGJSJFHLLVCAL-CQSZACIVSA-N 358.423 2.414 0 40 FEAB CSc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12326951 ORRSZARMMKADOA-UHFFFAOYSA-N 356.407 2.446 0 40 FEAB Cc1nc2cc([C@H]3CCCCN3C(=O)c3cnn(C)c3)nn2c(O)c1C 12337822 RXBYNWMZOVLDEP-OAHLLOKOSA-N 354.414 2.153 0 40 FEAB CNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)s1 12417208 BOWNZCFNBGVSHB-UHFFFAOYSA-N 361.358 2.330 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575277 OJCKJFBYKGCZNZ-UHFFFAOYSA-N 354.472 2.012 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19292206 PDXFXIUIKHFJFB-CYBMUJFWSA-N 353.426 2.008 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 19293687 IGAOJPXDJPMZCX-HNNXBMFYSA-N 367.428 2.088 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)C1 19662809 XXKZJHPAIPUDNG-CYBMUJFWSA-N 350.444 2.145 0 40 FEAB O=C(O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1 643554462 JNRFOKWCXXCBDW-UHFFFAOYSA-N 360.454 2.075 0 40 FEAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1noc2c1CCCC2 252478381 AKVLYLDITKGAGY-UHFFFAOYSA-N 359.405 2.129 0 40 FEAB CN1CCN([C@@H](CC(=O)Nc2c(Cl)cccc2Cl)C(=O)O)CC1 22585016 FGWOKPSFDVEPTO-LBPRGKRZSA-N 360.241 2.023 0 40 FEAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 2622021 UYJCFPATOFENHR-SFHVURJKSA-N 356.382 2.169 0 40 FEAB CC(C)NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 3502849 IBZZSEIQTTXZLF-NRFANRHFSA-N 365.433 2.201 0 40 FEAB Cn1cnc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cc1=O 1888842746 NRZUQALOWUCEAZ-RYUDHWBXSA-N 364.247 2.112 0 40 FEAB O=C1[C@@H]2CN(c3nc4cnccc4s3)C[C@H]2C(=O)N1Cc1ccccc1 1888890638 BTBYRQKPRFXQHL-ZIAGYGMSSA-N 364.430 2.313 0 40 FEAB O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2ncccn2)CC1 23703300 WDUDBOMGEORXQY-AZUAARDMSA-N 368.481 2.054 0 40 FEAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 24881865 JJRFBGFLWQATSU-UHFFFAOYSA-N 358.375 2.417 0 40 FEAB Cc1oncc1CN1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 238856942 KATNPIANRFBDDC-UHFFFAOYSA-N 369.874 2.284 0 40 FEAB COc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373841 JMJIUIWLZADFNN-MRXNPFEDSA-N 371.412 2.482 0 40 FEAB O=C1NC(=O)[C@@H]2[C@H]1[C@H](C(=O)c1ccc(F)cc1)N1C=Cc3ccccc3[C@@H]21 4698648 UCCBQWOMWSCBCI-VSZNYVQBSA-N 362.360 2.307 0 40 FEAB O=C(NCC(F)(F)F)[C@]1(n2ccnc2)CCCN(Cc2ccco2)C1 2055771753 USDQRUCSNOZAFT-HNNXBMFYSA-N 356.348 2.146 0 40 FEAB COCCN1C[C@@H](C)[C@@]2(COCCN(Cc3ccc(F)c(F)c3)C2)C1 2055782061 GGTLKHAUJZNFPA-BEFAXECRSA-N 354.441 2.382 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1N 21775018 GUUIKZRJFFWGOK-UHFFFAOYSA-N 369.356 2.418 0 40 FEAB O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1ccc2c(c1)OCO2 1775971430 RMWYHMQCXHFSMX-UHFFFAOYSA-N 354.341 2.124 0 40 FEAB CCc1ncc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cn1 19523389 IDRMAVZIZRSQPF-OAHLLOKOSA-N 351.458 2.352 0 40 FEAB O=C(CCc1nc2ccccc2[nH]1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 105383014 LOZAWQBBEDYVCJ-HUUCEWRRSA-N 362.433 2.303 0 40 FEAB biogenic Cc1nc2ccccc2nc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 30003832 WFPOYVNHYWTUAE-LJQANCHMSA-N 361.449 2.287 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20548348 IXTCTVMNUPUTKN-ZFCANOHDSA-N 373.428 2.002 0 40 FEAB CS(=O)(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 32770969 DTNQJHSHZSUHAD-UHFFFAOYSA-N 365.282 2.076 0 40 FEAB COc1cc(OC)cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 22375321 MKAZHEHOMWFHQT-UHFFFAOYSA-N 362.470 2.469 0 40 FEAB COC(=O)c1cc(C)sc1NC(=O)[C@H]1CC(=O)NN1Cc1ccccc1 646839 QTLLAHOLKVMDAL-CQSZACIVSA-N 373.434 2.087 0 40 FEAB COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)c1 22730352 QZTSCSVSUHJRCC-OLZOCXBDSA-N 351.447 2.225 0 40 FEAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@@H]1COCCO1 54613462 KPZGEUKIUSMADS-LLVKDONJSA-N 352.337 2.084 0 40 FEAB Cc1noc(C)c1CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 24785721 HNVCGCQWBVZBFG-UHFFFAOYSA-N 353.426 2.351 0 40 FEAB CS(=O)(=O)Nc1ccc(-c2csc(CN3CCOCC3)n2)cc1 78822997 TVOMDILDJNQDKX-UHFFFAOYSA-N 353.469 2.014 0 40 FEAB CN(C)S(=O)(=O)c1ccc(SCCC(=O)Nc2ccccc2)nc1 12548778 ZRTCYPSWLCOUFW-UHFFFAOYSA-N 365.480 2.453 0 40 FEAB COc1cccc2cc([C@@H](C)NC(=O)[C@H]3CCCN3S(C)(=O)=O)oc12 25199824 PVQMOJGWSXJZMM-DGCLKSJQSA-N 366.439 2.043 0 40 FEAB CCOC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O 1401506 ZISSECUBTXGZFV-UHFFFAOYSA-N 363.435 2.169 0 40 FEAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)C1 6680917 DCRIPFQANUAYCZ-SNVBAGLBSA-N 355.441 2.409 0 40 FEAB O=C1C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c2ccccc2N1 84578832 LIWGEHVGLJBOLL-RDJZCZTQSA-N 367.405 2.013 0 40 FEAB C[C@H]1CN(C[C@@H]2CCCN2CC(=O)N2CCc3ccccc32)C[C@@H](C)O1 58174436 WPSZGXOYTDIZCI-SCTDSRPQSA-N 357.498 2.149 0 40 FEAB COc1ccc(NC(=O)N(C)C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 58150646 LXSMKCPPSHLOFA-CQSZACIVSA-N 374.393 2.328 0 40 FEAB COc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36086413 QGMGWCNBWUGALZ-UHFFFAOYSA-N 362.451 2.424 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1ccc(C)cc1 45009219 PJIFBIANERRYGK-RHSMWYFYSA-N 360.454 2.410 0 40 FEAB CC[C@H]1C(=O)NCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 84735425 ZFCLKABKTXQVMA-SFHVURJKSA-N 352.438 2.165 0 40 FEAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@H]2c1ccc(Cl)cc1 104138172 HOOFKUCFQZTARO-GOEBONIOSA-N 373.844 2.302 0 40 FEAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 3241893 UJXKCJRVLBGGNE-AWEZNQCLSA-N 353.802 2.141 0 40 FEAB CS[C@@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 89598371 MWIUZYNPNAJXDB-ZBEGNZNMSA-N 363.483 2.287 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1OC 12770824 SDUDTVMRKGPXGX-UHFFFAOYSA-N 355.343 2.342 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2cccs2)c1C 3363799 PDAWFYHIAKFJGV-UHFFFAOYSA-N 364.423 2.343 0 40 FEAB COc1ccc(CNC(=S)Nc2ccc(N3CCN(C)CC3)nc2)cc1 55032066 HGAYNPLOOOESKL-UHFFFAOYSA-N 371.510 2.329 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 3460934 HCABSBMJRIEGCZ-HXUWFJFHSA-N 369.396 2.218 0 40 FEAB C[C@@H](OC(=O)c1ccc(Cl)cc1O)C(=O)Nc1sccc1C(N)=O 12910013 AZVRJKVEUMXKJX-SSDOTTSWSA-N 368.798 2.390 0 40 FEAB COc1ccc(-c2nc(CC(=O)N3CCN(C)CC3)cs2)cc1OC 13693170 RCKNYIXQOGFVDK-UHFFFAOYSA-N 361.467 2.144 0 40 FEAB CC(C)(C)OC(=O)N1CC[C@@](NC(=O)OCc2ccccc2)(C(=O)O)C1 306697206 YWSDIVNKOQFNQE-SFHVURJKSA-N 364.398 2.377 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)c1cccs1 14166139 IXJJNDWXRRKJMJ-ZIAGYGMSSA-N 372.446 2.309 0 40 FEAB CCOC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 14197626 XTONOEOVBWCOCN-UHFFFAOYSA-N 359.426 2.386 0 40 FEAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 14246775 OXYNQBAQZVQZII-SNVBAGLBSA-N 360.443 2.006 0 40 FEAB COC(=O)c1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 15113917 SKVQBFPDBYDZSQ-UHFFFAOYSA-N 362.407 2.445 0 40 FEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1OC)C2=O 15314658 GSBQGDITEAVOSO-UHFFFAOYSA-N 373.453 2.202 0 40 FEAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CC(=O)Nc2ccccc21 15461392 KOZPKROFGBDABJ-GFCCVEGCSA-N 353.378 2.244 0 40 FEAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2O1 7252744 YKVVXZMKQQUMJS-SFHVURJKSA-N 353.422 2.256 0 40 FEAB CCS(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 8038066 OBJKINITCGSCJH-CYBMUJFWSA-N 359.494 2.202 0 40 FEAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 70006862 RWDZZAIYAHJPGK-GFCCVEGCSA-N 366.414 2.240 0 40 FEAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 8360235 ORFWMWQOBYICMK-LLVKDONJSA-N 356.831 2.479 0 40 FEAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)CC2CCC2)CC1 92988683 ADQSCRMTBIQQIP-UHFFFAOYSA-N 370.902 2.157 0 40 FEAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)N1CCCCC1 19424600 FVBVXJQTRZBEHI-UHFFFAOYSA-N 365.480 2.351 0 40 FEAB Cc1nnc([C@@H](C)NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)o1 84291332 UENNCULQRKSEDD-BFUOFWGJSA-N 356.426 2.498 0 40 FEAB CC[C@@H](C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)N1CCCC1=O 72301568 KJPWJNNYCBUGCE-HNNXBMFYSA-N 354.410 2.085 0 40 FEAB C[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 97250770 QJNSEEWRALTBPE-PWSUYJOCSA-N 359.253 2.343 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 76144166 NOACYWCFDSSXRB-ZDUSSCGKSA-N 351.834 2.415 0 40 FEAB O=C1CN(C(=O)c2cnc(-c3ncccn3)s2)Cc2ccccc2N1 1557209048 HHENIWBXDYRXNM-UHFFFAOYSA-N 351.391 2.195 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1Cl 408589508 FXGPFRKTGDWEEX-LBPRGKRZSA-N 374.890 2.418 0 40 FEAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)NC1CC(OCc2ccccc2)C1 546651712 VJXDIJBCYOYWTR-ABHNRTSZSA-N 357.454 2.187 0 40 FEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc(O)c(OC)c1 408730222 GDXBMFKFEPNPLA-HNNXBMFYSA-N 362.407 2.224 0 40 FEAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccccc1 32954600 WPYGCRWMUMREJK-XOUADPBQSA-N 372.421 2.121 0 40 FEAB CC(=O)Nc1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)cc1 524732658 UASWDSRMKMQRTN-OAHLLOKOSA-N 356.411 2.311 0 40 FEAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)N4CCCCCC4)n3n2)n1 71285082 RYBFASOMMICPCZ-UHFFFAOYSA-N 367.457 2.262 0 40 FEAB COc1cc2ncn(CCC(=O)N3CCCCCC3)c(=O)c2cc1OC 32096249 HITLCNWBNILLAI-UHFFFAOYSA-N 359.426 2.206 0 40 FEAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 567443205 PZVCNZITIMPREX-NCXUSEDFSA-N 350.422 2.026 0 40 FEAB COCOc1c(Br)cc(Br)nc1C(=O)OC 71864409 MYUWTSUPCNREAU-UHFFFAOYSA-N 354.982 2.376 0 40 FEAB CCCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217602826 MWXDSESCUQTZPC-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB CCOC(=O)C[C@H](c1cnn(C)c1C)c1c(O)[nH]c2ccccc2c1=O 72405828 FVALNBYWFJAJOV-CYBMUJFWSA-N 355.394 2.361 0 40 FEAB COCCN(Cc1ccoc1)C(=O)CCc1ccc(S(C)(=O)=O)cc1 225622799 SASIDUWBQHSCIS-UHFFFAOYSA-N 365.451 2.291 0 40 FEAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc2c(c1)OCO2 225835026 MWHFQEFXGNBKGV-UHFFFAOYSA-N 352.350 2.109 0 40 FEAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4c(C)noc4C)CC3)nn2)n1 265550710 HAOWTHKCBZOBLY-UHFFFAOYSA-N 367.457 2.206 0 40 FEAB Cc1noc([C@@H](C)N(C)C(=O)NCC2CCN(c3ccncc3)CC2)n1 574529660 YKOZJADTLALBEV-CYBMUJFWSA-N 358.446 2.392 0 40 FEAB O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96206720 PSCDUMUVXIGGBR-BZUAXINKSA-N 354.410 2.062 0 40 FEAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1 96036765 YSVLEKBJILQMIX-KRWDZBQOSA-N 372.469 2.138 0 40 FEAB O=C(COCC[C@H]1CCOC2(C1)CN(Cc1ccncc1)C2)N1CCCC1 247755483 ZDQFIQUBQDEIAO-SFHVURJKSA-N 373.497 2.092 0 40 FEAB Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 257282571 OUIJUGVJZDABLU-ZWOKBUDYSA-N 352.438 2.435 0 40 FEAB CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(-n3ccnc3)nc1)CC2 257240177 HSLJNNUCTLECQV-MRXNPFEDSA-N 356.426 2.068 0 40 FEAB CNc1cnc(C[C@@H]2CCCN(C(=O)COc3cccnc3)CC2)cn1 257266571 MDOWOWOQMKBXOK-OAHLLOKOSA-N 355.442 2.164 0 40 FEAB O=C(Cn1cccn1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257270627 MUZFOACVEQHVHR-ICSRJNTNSA-N 355.438 2.250 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccc(OC)nc3)CC2)cn1 257206602 BEDQWCKERWHHEJ-AWEZNQCLSA-N 355.442 2.407 0 40 FEAB COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257300975 RWLADSQRKSXIAY-IXDOHACOSA-N 352.438 2.377 0 40 FEAB CNC(=O)c1cnn2c(C3CCN(C(=O)c4cccs4)CC3)ccnc12 257340466 ZGGHGIBRJDWQEA-UHFFFAOYSA-N 369.450 2.170 0 40 FEAB CCc1cc(C(=O)N2CCC(c3cc(O)n4nc(C)cc4n3)CC2)no1 257212238 CCMCMQRFOITBDX-UHFFFAOYSA-N 355.398 2.314 0 40 FEAB COc1cccc2c(C(=O)N[C@@](C)(CC(=O)O)c3ccccn3)n[nH]c12 1610359464 AJRDDTCYSVRBDY-SFHVURJKSA-N 354.366 2.086 0 40 FEAB O=S(=O)(CCC1Cc2ccccc2C1)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 631956799 KEILLMTVXNFJFP-LWYYNNOASA-N 360.523 2.051 0 40 FEAB COC[C@H](C)n1c(SC[C@]2(O)CCCOC2)nc2ccccc2c1=O 656692602 BXZIDIPGXAJNPR-UGSOOPFHSA-N 364.467 2.238 0 40 FEAB CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)C1 663479634 INZFDGGIZYDPNA-QXCFHYIPSA-N 361.461 2.120 0 40 FEAB COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCN(C)C3=O)cc2)cc1 681221706 HADDHYZDRMDWBO-KRWDZBQOSA-N 367.405 2.364 0 40 FEAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)OC2CCCCCC2)o1 1775957367 QITARWGTGYMNFR-GZBFAFLISA-N 351.447 2.394 0 40 FEAB Brc1cnc(NC[C@H](c2ccco2)N2CCOCC2)nc1 1775970014 XFVSQRWQTNPMMF-GFCCVEGCSA-N 353.220 2.318 0 40 FEAB CN1c2ccccc2N(C2CCN(C(=O)c3ccco3)CC2)S1(=O)=O 390832202 XZOBOHVIEKGGAN-UHFFFAOYSA-N 361.423 2.085 0 40 FEAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575405147 RHWOFIWBELIAPL-AWEZNQCLSA-N 354.401 2.117 0 40 FEAB Cn1cc(-c2cc(F)ccc2NC(=O)N[C@H]2CCc3c(nnn3C)C2)cn1 585090729 AVRNUXJMWJWCBU-ZDUSSCGKSA-N 369.404 2.034 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)c1 585107706 DLEDCDBZMIUMHV-UXHICEINSA-N 351.450 2.424 0 40 FEAB Cc1noc(C)c1C[S@](=O)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 69813147 HTAARSOOJKZECV-XELLLNAOSA-N 364.423 2.339 0 40 FEAB CCOC(=O)N[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(C)C 47932323 GDESICYVZHYBLM-IRXDYDNUSA-N 365.474 2.185 0 40 FEAB O=C(NCc1nnc2n1CCCCC2)N1CCN(Cc2cccs2)CC1 45571075 HDTUEYXZFZTWGO-UHFFFAOYSA-N 374.514 2.093 0 40 FEAB CC(C)(C)c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1 1776009717 OMBQSTOSWWJLNZ-UHFFFAOYSA-N 370.379 2.498 0 40 FEAB CNS(=O)(=O)c1ccc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)nc1 78689556 OMTZLDBZNYNMIH-MRXNPFEDSA-N 374.510 2.091 0 40 FEAB O=C1O[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)Cc2ccccc21 5172705 MSLKGUVBJPZMQT-SFHVURJKSA-N 352.390 2.243 0 40 FEAB O=C1N[C@@H](c2cccnc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859137 HLPWLINRRWMYGI-WWGRRREGSA-N 365.311 2.186 0 40 FEAB CCN(CC)C(=O)CN1CCC[C@H](c2ncncc2-c2cc(C)no2)C1 12118368 NKYWAXAFIPPGHM-HNNXBMFYSA-N 357.458 2.488 0 40 FEAB COc1cc(CCC(=O)N2CC[C@H](c3cc4ncc(C)nc4[nH]3)C2)on1 19717404 PPZBTOQIDCYTEC-LBPRGKRZSA-N 355.398 2.212 0 40 FEAB CC(=O)Oc1cccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)c1 2695888 XANXGEBDUMGMEB-LFIBNONCSA-N 363.398 2.291 0 40 FEAB COc1ccccc1OCC(=O)NCC1CCN([C@@H]2CCSC2)CC1 225569770 SBIKDWFRNNWZKP-MRXNPFEDSA-N 364.511 2.408 0 40 FEAB COc1cccc(N[C@H]2CC(=O)N(c3cc(C(=O)O)ccc3C)C2=O)c1 16901104 XVIHDZKWAOMMPZ-HNNXBMFYSA-N 354.362 2.446 0 40 FEAB COCCN1CCC(N2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1 252509144 YDFDWOMJHAZULV-UHFFFAOYSA-N 372.435 2.333 0 40 FEAB CCCn1nc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)ccc1=O 36396390 SCTONWZRMLYUPN-UHFFFAOYSA-N 371.437 2.176 0 40 FEAB O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1 3505796 WEEYWDBOXOAQDK-UHFFFAOYSA-N 367.434 2.352 0 40 FEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(OC(F)F)cc1 3505346 DKLAUPLKLURIRV-UHFFFAOYSA-N 367.352 2.481 0 40 FEAB CCOc1c(Br)cc(Cl)cc1NCC(=O)NC(=O)NC 10945126 OCZHRJDQGWARRW-UHFFFAOYSA-N 364.627 2.369 0 40 FEAB CCOCCCNC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 25708429 KGUMTQOAPMDTSY-ZDUSSCGKSA-N 357.497 2.122 0 40 FEAB Cc1ccc(C(=O)NCCc2nnc3ccc(N4CCCC4)nn23)cc1 4358612 MJIDASMZBPZXQL-UHFFFAOYSA-N 350.426 2.005 0 40 FEAB O=C(c1cccnc1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751142 LNEGBHMKIGMEJY-UHFFFAOYSA-N 364.449 2.401 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 2055835589 OVGUBSSAWBTDGR-NRFANRHFSA-N 366.465 2.384 0 40 FEAB O=C(CN1CCOC1=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2086860223 DGOPIRVXSKPHGP-UHFFFAOYSA-N 374.828 2.441 0 40 FEAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n2c1=O)CCC4 2208292 GIXZMMSGXVFNBR-UHFFFAOYSA-N 350.403 2.252 0 40 FEAB COc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1F 249074671 ASVWZFZQRWXQOA-UONOGXRCSA-N 367.465 2.382 0 40 FEAB COc1cc(NC(=O)c2cnn(C)c2-n2cccc2)cc(OC)c1OC 30938796 QVDGZGMMUBHOCZ-UHFFFAOYSA-N 356.382 2.489 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccc(F)c1 51134404 NIDLUSQRWYKAQM-LLVKDONJSA-N 363.414 2.056 0 40 FEAB CCC[C@](C)(NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 32788612 UTHMLHNGEXYADI-ZDUSSCGKSA-N 364.261 2.459 0 40 FEAB CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccccc3Cl)=NC2=N1 940700 KSQCQSFHMNBUGE-HNNXBMFYSA-N 366.812 2.172 0 40 FEAB C[C@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1 105768762 ZOCBYSXSSAOCGY-RVKKMQEKSA-N 361.467 2.115 0 40 FEAB Cc1nn(C(=O)c2nn(C)cc2Br)c(C)c1Br 879642 DBZKWQNZINVYHK-UHFFFAOYSA-N 362.025 2.447 0 40 FEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)o1 959684 QWGQYNAHQOYOEU-LLVKDONJSA-N 353.176 2.486 0 40 FEAB Cn1cc(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 79482101 ITXUULGMHAVGKH-UHFFFAOYSA-N 363.343 2.374 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1csc(COc2ccc(F)cc2)n1 24864315 MQZINPFCGYMRIF-JTQLQIEISA-N 351.403 2.116 0 40 FEAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC[C@H]1CCCO1 2974350 ATWXMWFGHBZZKW-CYBMUJFWSA-N 359.451 2.119 0 40 FEAB O=C(c1ccccc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 34886200 OSUYDVYVLVTKJV-UHFFFAOYSA-N 363.461 2.424 0 40 FEAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccccc1F 4487854 ISJGDIULGGMPOM-JAAXMTQOSA-N 367.373 2.161 0 40 FEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc2c(c1)OCCO2 7046795 IVGBRDHNRFJBOF-UHFFFAOYSA-N 358.394 2.106 0 40 FEAB Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cs1 56013599 IGSJIHUOYDJROQ-UHFFFAOYSA-N 365.480 2.247 0 40 FEAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 35286960 VWFMHNGQQFELOQ-JTQLQIEISA-N 372.238 2.079 0 40 FEAB O=C(Nc1ncccn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 12552149 QKXWLRRDDXQVPE-JTQLQIEISA-N 361.199 2.231 0 40 FEAB O=C(c1ccc2[nH]nnc2c1)N1CCCN(Cc2ccccc2F)CC1 58223478 RACXFXURLCYRIY-UHFFFAOYSA-N 353.401 2.445 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c2ccccc21 58213804 KRCJKDNGZMFAFY-CQSZACIVSA-N 353.344 2.461 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1 28041008 SRTOILIBTMQMQF-UHFFFAOYSA-N 359.451 2.363 0 40 FEAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103532210 IICLSTHDBURUGS-KLHDSHLOSA-N 369.396 2.155 0 40 FEAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 20820567 IEIMVSNRVKSMKY-INIZCTEOSA-N 367.405 2.187 0 40 FEAB CCOc1ccc([C@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)cc1 28924414 WWEWACJLUSCPPO-IBGZPJMESA-N 353.422 2.422 0 40 FEAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 11519333 YJWQLNDQGZWPRT-UHFFFAOYSA-N 360.826 2.495 0 40 FEAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1 2627774 HZWUWYUGWFLYHH-CYBMUJFWSA-N 361.423 2.197 0 40 FEAB CC1(C)[C@H](C(=O)O)CC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)O)cc1 12346105 ONQUDWNJNBNMFH-LRDDRELGSA-N 355.412 2.399 0 40 FEAB CN(C)C(=O)c1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12768197 MXOWTBLKSVHWFW-UHFFFAOYSA-N 353.422 2.076 0 40 FEAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 101344809 WYVFDGXPLOJJKE-AEFFLSMTSA-N 360.373 2.174 0 40 FEAB COc1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 12786772 PHIUOLSTMKFWDZ-CQSZACIVSA-N 358.394 2.343 0 40 FEAB Cn1nc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 3362365 KIAFTZYINMPKHU-UHFFFAOYSA-N 366.396 2.035 0 40 FEAB O=C(NC1CC1)c1cccc(N2CCC(C(=O)NC3CCCC3)CC2)n1 67350038 QNNKPCBEAPBTRT-UHFFFAOYSA-N 356.470 2.249 0 40 FEAB COc1ccc(C=O)cc1OCC(=O)N1CCN(c2ccccc2)CC1 3324345 REXMZUJUYNAQMU-UHFFFAOYSA-N 354.406 2.235 0 40 FEAB CCOc1ccc(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 3393212 FLRWWDKUWSLDGB-UHFFFAOYSA-N 368.437 2.187 0 40 FEAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(F)c1)N1CCCCCC1=N2 12892909 KEMAUKMRODVLAE-MRXNPFEDSA-N 356.401 2.232 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 38312536 XMQTWOZROSGBLY-KRWDZBQOSA-N 374.462 2.135 0 40 FEAB COC(=O)c1c(NC(=O)C(=O)NCC(C)C)sc2c1CC(C)(C)OC2 6662260 DKIAEBNQEDTURZ-UHFFFAOYSA-N 368.455 2.097 0 40 FEAB Cc1cc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 6862667 KXUMIFIAJUJZCX-ZDUSSCGKSA-N 364.492 2.281 0 40 FEAB CC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1 9499114 NRHONEAFRACOJN-GOSISDBHSA-N 368.433 2.384 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1F 7427178 YEMWXVJWSWEZJL-IBGZPJMESA-N 356.353 2.484 0 40 FEAB CCCc1nnc(NC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)s1 17027818 OZMXKDBRRQMJIE-UHFFFAOYSA-N 371.422 2.297 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nnc(C2CCC2)s1 61721764 BHMWANJOCLJWAZ-UHFFFAOYSA-N 359.455 2.270 0 40 FEAB c1cc2c(cc1C1(CNc3ccc4nnnn4n3)CCCC1)OCCO2 8747720 YYOPMMHPDJLOER-UHFFFAOYSA-N 352.398 2.214 0 40 FEAB COC(=O)c1ccc(CNC(=O)c2nn(-c3ccccc3)nc2C)cc1 8980521 AACGDEHUAVWYCK-UHFFFAOYSA-N 350.378 2.292 0 40 FEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1cccc(F)c1 9898426 ZIBTUVSAWDYOHH-ZHACJKMWSA-N 362.426 2.406 0 40 FEAB O=C(C[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)N1CC(F)(F)C1 306139286 SUAMMOLMEKUXGR-CQSZACIVSA-N 352.410 2.369 0 40 FEAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)nc(C2CC2)n1 664181750 FZYXXZYPHNMNHM-CALCHBBNSA-N 362.433 2.284 0 40 FEAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584254 NMZYWWXOJTUFHD-UHFFFAOYSA-N 374.890 2.464 0 40 FEAB COc1c[nH]c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1=O 524734227 LBKNHNPYARDDJA-UHFFFAOYSA-N 371.374 2.488 0 40 FEAB COCCOc1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)ccn1 35424814 ODQPOVLBOUYNRA-INIZCTEOSA-N 374.441 2.473 0 40 FEAB biogenic,in-vitro CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217511078 WRSYRBAEAYERIO-UHFFFAOYSA-N 356.444 2.053 0 40 FEAB Cc1cc(S(=O)(=O)NCc2ccncc2)cc2c1N(C)C(=O)C2(C)C 71195965 SNRINUUAAXYUPD-UHFFFAOYSA-N 359.451 2.123 0 40 FEAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CO)CO 218392182 VPXGMBYPRHJZLA-HZPDHXFCSA-N 352.839 2.251 0 40 FEAB CN(C[C@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2)C1)S(C)(=O)=O 567522322 MGGPPQGZZAYWAS-IUODEOHRSA-N 374.890 2.069 0 40 FEAB O=S(=O)(C1CC1)N1CCN(Cc2cccc(Br)c2)CC1 528614144 ZIYORXKEWLVJPN-UHFFFAOYSA-N 359.289 2.059 0 40 FEAB C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915411 XSLSQODSMQCEFC-MRXNPFEDSA-N 372.440 2.284 0 40 FEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCC2CCCCC2)Oc2ccccc21 224228927 WRIQFMFVBAODFS-KRWDZBQOSA-N 366.483 2.300 0 40 FEAB Cc1cccc(C(=O)N2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 96048388 CQTTWRJIQFGBQA-KXBFYZLASA-N 353.426 2.056 0 40 FEAB O=C(NCCCc1nnc2ccccn12)c1c[nH]c2c(F)cccc2c1=O 95474251 YWYFLOIRIPFJGG-UHFFFAOYSA-N 365.368 2.073 0 40 FEAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CC[C@@H]([C@H]2CCOC2)C1 333102936 VQURMSWLIOTTGD-SJORKVTESA-N 354.454 2.483 0 40 FEAB O=C(c1cnccn1)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 247879031 VBGUVOOPNPOBDK-MRXNPFEDSA-N 368.437 2.352 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247891268 YSJHDTNGZNDANW-ZDUSSCGKSA-N 354.497 2.286 0 40 FEAB Cc1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)CC3CC3)C2)no1 247884719 CXZYPUBKHZMWBD-INIZCTEOSA-N 357.458 2.118 0 40 FEAB Cc1nc2ccccn2c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 257294415 QUAOUHHITOMJRW-HNNXBMFYSA-N 351.406 2.484 0 40 FEAB COc1ncc(CN2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 257290891 QESXGCUPNQGYDB-OAHLLOKOSA-N 352.442 2.455 0 40 FEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2c(C)noc2C)C3)nc1 253600268 IOVHYTWLGHUZTN-OAHLLOKOSA-N 371.441 2.123 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1cc(-n2cccc2)ccn1)C(C)(C)CO 616863223 KFRHEPXVPADIPF-INIZCTEOSA-N 353.426 2.095 0 40 FEAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cnc(CC(C)C)nc2)C1 626547345 YBJFCEFBFREZLR-YESZJQIVSA-N 361.490 2.438 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 1123672176 RVKYVIJRQCEIMY-GOEBONIOSA-N 372.421 2.117 0 40 FEAB CN1CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H](c2ccccc2)C1 642514885 GQVNQDSPKVNCMK-KRWDZBQOSA-N 356.401 2.445 0 40 FEAB CCOC(=O)c1c(NC(=O)Cc2ccon2)sc(C(=O)N(C)C)c1C 1177508758 AHOIXYBHXPZNNE-UHFFFAOYSA-N 365.411 2.104 0 40 FEAB CC(C)c1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)ncn1 599454155 NUWZFDIKYXKXBD-UHFFFAOYSA-N 354.410 2.291 0 40 FEAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)[C@H]2C1 585106150 SAEQCGMQQBQKSV-CABCVRRESA-N 361.511 2.057 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70968663 GVEIAMVRBPXXNB-NRFANRHFSA-N 356.466 2.407 0 40 FEAB O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2Br)CC1 40161708 USQQYLTXDWRPSJ-OAHLLOKOSA-N 353.260 2.272 0 40 FEAB CCc1nc(CCNC(=O)CCNC(=O)OCC(F)(F)F)sc1C 60360339 XWZPTAQAVQZPFZ-UHFFFAOYSA-N 367.393 2.351 0 40 FEAB Cc1nc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)co1 1615161213 WZDQFYMJTILELX-IBGZPJMESA-N 355.394 2.021 0 40 FEAB c1ccc(-c2cn([C@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]34)nn2)nc1 5396117 QNJQBGUZQPWEDX-VNTMZGSJSA-N 369.469 2.217 0 40 FEAB biogenic,in-vitro Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccncc4)nc(C)n32)s1 12088751 BWRRFBSXYGLXLF-UHFFFAOYSA-N 367.434 2.039 0 40 FEAB CN(C)c1ncc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cn1 12119211 ZKWBRSUQJCHXSB-HNNXBMFYSA-N 353.426 2.288 0 40 FEAB Cc1nn(C)cc1C(=O)NCCc1cc2nc(-c3ccco3)ccn2n1 12740482 JFNUARKYCWEJII-UHFFFAOYSA-N 350.382 2.004 0 40 FEAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCc3cccnc3)ccc21 13610402 OHRJSPMQVVPFRG-UHFFFAOYSA-N 359.451 2.114 0 40 FEAB COc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)N2)cc1 14607656 OOCNKKLJBYCIHU-HNNXBMFYSA-N 356.357 2.129 0 40 FEAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCc2ccccc21 18935292 OJDRPBPHYISKPZ-GOSISDBHSA-N 373.478 2.282 0 40 FEAB CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)NC(=O)N3)sc2C1 19082479 RYXJPGSEEBGFJN-ONGXEEELSA-N 364.471 2.221 0 40 FEAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[C@H]4CCCCO4)C3)o2)cn1 19239149 YMBQSCHABQMCIA-ZIAGYGMSSA-N 357.414 2.110 0 40 FEAB CCc1ncc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cn1 19523360 BNKQQAMODIHDIU-UHFFFAOYSA-N 352.486 2.197 0 40 FEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 3294408 SUPOPAJBYFZIGO-UHFFFAOYSA-N 361.785 2.105 0 40 FEAB Cc1ccc(O)c(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 5679365 HKXWMRDMZATVIJ-GFCCVEGCSA-N 357.362 2.291 0 40 FEAB CCn1cnc2c(N3CCN(c4nc5cnccc5s4)CC3)ncnc21 1888916410 NKBULRGBDAEFIM-UHFFFAOYSA-N 366.454 2.178 0 40 FEAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCCC1 22246209 CSUTTZOMAJOQNG-SFHVURJKSA-N 358.463 2.199 0 40 FEAB COCCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccn1 245171734 XSOGBYOFWHEZAF-UHFFFAOYSA-N 357.410 2.196 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cn1 2037895376 IOFPFCCVEIPVAR-YJBOKZPZSA-N 371.412 2.314 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1F 4941258 UESIMQLVSKCNID-LBPRGKRZSA-N 359.419 2.188 0 40 FEAB O=C(NCCNC(=O)c1c(F)cccc1F)c1nc(-c2ccccc2)no1 12377029 BAWSXXDQHYWLFO-UHFFFAOYSA-N 372.331 2.175 0 40 FEAB COc1cccc(NC2(C(=O)NC3CC3)CCN(C(=O)C3CC3)CC2)c1 2055750728 UFGCSIPXXYHIRU-UHFFFAOYSA-N 357.454 2.157 0 40 FEAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(F)c1 20437897 VOBSDLZDGLAKPQ-SFHVURJKSA-N 371.387 2.419 0 40 FEAB CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21 100825295 NDKMUDTYOJSADG-ICFOKQHNSA-N 370.427 2.112 0 40 FEAB COc1ccccc1-c1nc2n(n1)[C@H](c1cccnc1)C(C(N)=O)=C(C)N2 4189636 ZPIIPWSXYKZXFQ-MRXNPFEDSA-N 362.393 2.123 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cn2)C[C@@H](C)O1 30038036 GWGZXCJJBRHHJP-ZIAGYGMSSA-N 355.442 2.409 0 40 FEAB Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c(C)c1 30583690 QNZOTNACMHGLBQ-FVNWOWOISA-N 350.484 2.247 0 40 FEAB CN(Cc1nc2ccccc2[nH]1)C(=O)Cn1cccc(C(F)(F)F)c1=O 30660198 BUXDBLPSBKLVNF-UHFFFAOYSA-N 364.327 2.402 0 40 FEAB CC(=O)NCc1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 32741889 UIYKDWQNXFIIQA-IBGZPJMESA-N 366.417 2.499 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)[C@@H]2Cc3ccccc3O2)s1 21588400 WSTAPVHTGWJQJD-NSHDSACASA-N 365.436 2.136 0 40 FEAB CCOC(=O)[C@H]1[C@@H]2NC(=S)N[C@]1(C)Oc1ccc(Br)cc12 102831768 IOVGLDIRFHJORF-JTNHKYCSSA-N 371.256 2.256 0 40 FEAB C[C@H](OCC(F)(F)F)C(=O)NCCc1cc(F)cc2c1OCOC2 52901789 PWLRENBFUAUNER-VIFPVBQESA-N 351.296 2.318 0 40 FEAB CCC(CC)CN(CC(=O)OC)C(=O)C1CCN(C(=O)C2CC2)CC1 41579324 AZBZLCYJGRZCTR-UHFFFAOYSA-N 352.475 2.073 0 40 FEAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 23682455 LITPXQAGHQGLKL-INIZCTEOSA-N 368.433 2.416 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(N2CCCCC2)cc1 1328174 IOHRDKFOONWCJA-UHFFFAOYSA-N 363.421 2.421 0 40 FEAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 2476395 QYRWSHBUVGGGIH-UHFFFAOYSA-N 354.482 2.226 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 24755133 RDMUCZOTVZVPJP-UHFFFAOYSA-N 354.453 2.476 0 40 FEAB COc1cc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc(OC)c1 3280108 AZEITBVLZIUEMW-UHFFFAOYSA-N 369.377 2.235 0 40 FEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1c(F)cccc1F 3349852 OOIIRLFNUXICQT-IBGZPJMESA-N 371.343 2.297 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1cn2cc(Cl)ccc2n1 6354198 JHDUTBLVUJHWQE-UHFFFAOYSA-N 369.764 2.327 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 6817857 OERMFPWNYPCDLI-UHFFFAOYSA-N 368.484 2.140 0 40 FEAB CCOC(=O)[C@@H](NCc1nc(-c2cccnc2)no1)c1cccc(O)c1 95466644 IMQPHHUGVLCQSD-INIZCTEOSA-N 354.366 2.231 0 40 FEAB C[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)Nc1sccc1C(N)=O 8327548 MPRWONJKLIZIMH-SSDOTTSWSA-N 354.334 2.309 0 40 FEAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425732 HKSDEVHDFVGSJF-UHFFFAOYSA-N 369.512 2.455 0 40 FEAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccccc1NCCO 8710681 PJLIGIDYAMBFQH-ZDUSSCGKSA-N 360.414 2.052 0 40 FEAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 57471840 HXULQYFXBJPZGW-GFCCVEGCSA-N 357.362 2.458 0 40 FEAB CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccsc2c1=O 57425147 LVNXCQJEVYELET-LLVKDONJSA-N 367.496 2.255 0 40 FEAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1 28208304 UCNRPJJDFOHFHO-UHFFFAOYSA-N 360.479 2.228 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1 12539842 OBXSQWHTJUSJRW-UHFFFAOYSA-N 358.463 2.361 0 40 FEAB O=C(Cn1cc(Br)cn1)Nc1ccccc1N1CCCC1=O 47902578 QWHBBAHLMUWPIT-UHFFFAOYSA-N 363.215 2.411 0 40 FEAB O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1 58331528 CUBNDYPAFCQLRI-KRWDZBQOSA-N 371.506 2.406 0 40 FEAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4ccccc4O)c(=O)n3C2)c1 2226995 UQRPATOOOGXSDU-ZDLGFXPLSA-N 365.458 2.116 0 40 FEAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100178346 OSQUKUJNMBEZBW-GNBIQWSPSA-N 370.449 2.190 0 40 FEAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 36389652 BCASRWAIOMKYLH-SFHVURJKSA-N 370.428 2.145 0 40 FEAB NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120864 RENLJTQEHILKRO-UHFFFAOYSA-N 367.224 2.110 0 40 FEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102082046 YONVZRPTOMXTJX-HCXPVWKYSA-N 350.418 2.375 0 40 FEAB Cn1ccnc1[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 29067628 YPUVWMYMUZIMQJ-HXUWFJFHSA-N 373.416 2.036 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(-n3cnnn3)c2)c1 57833571 BJJAANIHDGPDJL-GFCCVEGCSA-N 353.382 2.171 0 40 FEAB COc1ccc2c(CC(=O)NCc3ccc(-n4cncn4)nc3)coc2c1 48288642 YUDJOPMGCZYSGL-UHFFFAOYSA-N 363.377 2.276 0 40 FEAB Cc1ncc(CN2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)s1 111346092 KFWMQZJHSRIGJX-UHFFFAOYSA-N 369.487 2.238 0 40 FEAB CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1 3317806 IMYIYLBIAOYNFN-UHFFFAOYSA-N 358.423 2.433 0 40 FEAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCc1ccccc1Cl 3497754 AXSXZWOSUXVMJG-MRXNPFEDSA-N 361.781 2.339 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)CN(C)C 49946338 FMTIGMZROUNYIB-INIZCTEOSA-N 369.456 2.423 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 14076323 WHTZCQPPHJTVQH-UHFFFAOYSA-N 371.324 2.068 0 40 FEAB COC(=O)c1sccc1NC(=O)CSc1ncccc1C(=O)O 5355267 GALIJIRONFHFJN-UHFFFAOYSA-N 352.393 2.359 0 40 FEAB CC(C)(C)c1nn(CN2CCN(C(=O)c3ccncc3)CC2)c(=S)[nH]1 14138161 WKLRFDSIUBFZPY-UHFFFAOYSA-N 360.487 2.049 0 40 FEAB C[C@H](C(=O)N(C)Cc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14162865 VLPDLJPAFRTTEI-OAHLLOKOSA-N 364.449 2.402 0 40 FEAB COc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1 4511470 OYOCBUKPAUITBZ-UHFFFAOYSA-N 363.395 2.300 0 40 FEAB CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(NC(C)=O)c1 14242358 ZMEBQVVLELWCSX-UHFFFAOYSA-N 359.451 2.485 0 40 FEAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C)[C@H](c3ccco3)C2)o1 6851407 UWGPREOGIBXTLW-LBPRGKRZSA-N 372.410 2.175 0 40 FEAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n(-c2ccccn2)n1 9421783 XQAYBEUATIZOMS-UHFFFAOYSA-N 372.406 2.148 0 40 FEAB COc1ccc(-n2nnnc2SCc2nc(N)c3ccccc3n2)cc1 9416710 WZUZAPXUQRTFOS-UHFFFAOYSA-N 365.422 2.489 0 40 FEAB CCCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 7974410 PSTYVOBHFHTLLC-GOSISDBHSA-N 368.389 2.349 0 40 FEAB CN(CC(=O)N(C)Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 16555829 FXMVTJLKUZHDQX-UHFFFAOYSA-N 350.422 2.014 0 40 FEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 72400620 OXNWJINOPZPFMP-IRXDYDNUSA-N 373.453 2.406 0 40 FEAB Cc1noc(C)c1CN1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 306140554 UXEHFOPWZJWZAO-MRXNPFEDSA-N 362.474 2.078 0 40 FEAB O=C(CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)NCC1CC1 89774651 NGBDRUYCYWHLLX-UHFFFAOYSA-N 364.877 2.406 0 40 FEAB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(OCC(F)F)n1 89824683 IVYZVUWSRIRKKD-NSHDSACASA-N 366.343 2.268 0 40 FEAB CSc1ccc([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 20018008 BAMKFIYNOUYCDM-LBPRGKRZSA-N 356.513 2.257 0 40 FEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C(=O)O)cc2)cc1 20275295 UNHXXDPNDHRVFE-UHFFFAOYSA-N 367.448 2.464 0 40 FEAB O=C(NCc1ccco1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708708 LEYJLZFIKWGSHP-UHFFFAOYSA-N 367.361 2.058 0 40 FEAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2cnccn2)n1 72383919 MWLSMHMEUXWUIQ-CQSZACIVSA-N 356.430 2.409 0 40 FEAB CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)COC2CCCCC2)C1 502499441 FTRDDSLYCNSXIQ-JSGCOSHPSA-N 350.381 2.394 0 40 FEAB CC(C)(C)n1cc([C@H]2N(C(=O)c3cccnn3)CC23CCOCC3)cn1 529517342 MTEZPSCFAVGSSZ-MRXNPFEDSA-N 355.442 2.422 0 40 FEAB CCn1ncc(C2=NO[C@H](C(=O)Nc3cccc(-c4nnco4)c3)C2)c1C 36752632 RVLIAZZRRLGBST-INIZCTEOSA-N 366.381 2.393 0 40 FEAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cncc(Br)c1 75148841 UFWFZPNNGIEBKN-UHFFFAOYSA-N 359.183 2.011 0 40 FEAB O=C(COc1ccccc1F)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679777 NUPVLPJVMJHFFN-CHWSQXEVSA-N 366.414 2.327 0 40 FEAB Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)cc1C 38486386 PUAKWTNZBPTRTM-UHFFFAOYSA-N 353.422 2.490 0 40 FEAB CCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 77262527 GHONXTHBNDXNCL-XYJFISCASA-N 362.401 2.458 0 40 FEAB biogenic,in-vitro Cc1cc(CCNC(=O)N2CC[S@](=O)C(C)(C)CC2)cc(C)c1O 567329711 IPAPSOAXIAHYQY-DEOSSOPVSA-N 352.500 2.494 0 40 FEAB COc1ccc2c(c1)OCCN(C(=O)CCc1c(C)nc(O)nc1C)C2 328707697 QDHFPRPMSFXHST-UHFFFAOYSA-N 357.410 2.161 0 40 FEAB COc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC 195529605 AEKZBCWOHWSMAP-YQQAZPJKSA-N 362.470 2.418 0 40 FEAB C[C@H](CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 225136389 YJBBLLHFQBTTCX-MRXNPFEDSA-N 360.479 2.368 0 40 FEAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2n(C)c1=O 96115377 MHJXWKQHRARBMB-CYBMUJFWSA-N 369.373 2.201 0 40 FEAB biogenic COc1ccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cc1 96240848 ASBZHEHMYKWCAZ-SFHVURJKSA-N 372.465 2.090 0 40 FEAB Cc1cccc(CN2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)n1 96158901 QOQYMLXCTZYECO-UHFFFAOYSA-N 355.438 2.490 0 40 FEAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2 96240789 OBVUAKZTKFNZTI-AWEZNQCLSA-N 366.408 2.358 0 40 FEAB Cn1cc(C(=O)N2Cc3cccn3[C@@H](CCOc3ccccn3)C2)cn1 248092528 CNOBVNXJEMQWAI-KRWDZBQOSA-N 351.410 2.283 0 40 FEAB O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 247756157 ZQRHBROMZAOICW-INIZCTEOSA-N 359.470 2.460 0 40 FEAB COc1ccc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)cc1 247891640 AWCBVHAKNKAKON-HNNXBMFYSA-N 369.508 2.370 0 40 FEAB CCn1cc(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)c(C)n1 257293130 QOGSLOYTVYARFO-HNNXBMFYSA-N 354.414 2.327 0 40 FEAB Cn1ccnc1C(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@@H](O)CCC[C@@H]12 257255047 KFWKKMKQRWNJQK-OHHNFCFSSA-N 369.465 2.288 0 40 FEAB COCC(=O)N1CC[C@@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257229106 FWRVCNNDYIWDQR-AWEZNQCLSA-N 354.406 2.484 0 40 FEAB COC[C@@H]1CCN(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)C1 585079961 WCCDTVIAKGNNEQ-OAHLLOKOSA-N 350.434 2.283 0 40 FEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCNC4)nc32)cc1 257224920 FDYSFGDKULOCRG-HNNXBMFYSA-N 352.438 2.350 0 40 FEAB O=C1NC[C@@H](C(=O)NC[C@H]2CSc3ccccc3O2)c2ccccc21 627907241 RSLYUFUZVOSAFJ-SWLSCSKDSA-N 354.431 2.183 0 40 FEAB C[C@H]1c2ccccc2CN1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 641840248 VAKMLCWKWYZBJB-PKOBYXMFSA-N 372.513 2.069 0 40 FEAB Cc1ccc2c(c1)N(C(=O)CSc1nccnc1-n1cccn1)CCO2 90610141 WPNWZISPTFTHMN-UHFFFAOYSA-N 367.434 2.488 0 40 FEAB Cc1nc(-c2cc(C[C@@H]3CCN(S(C)(=O)=O)C3)ncn2)sc1C 585179644 ZQKNCOBBDMRCGX-LBPRGKRZSA-N 352.485 2.041 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1 55619288 XLYJYNNTSGHUKK-UHFFFAOYSA-N 373.203 2.488 0 40 FEAB Cn1ccc(CN2CCC(COc3cc(C4CC4)ncn3)CC2)cc1=O 1565522075 IEHWRLBEOKQORY-UHFFFAOYSA-N 354.454 2.344 0 40 FEAB C[C@@H](c1nc(CC(=O)NC2CCCC2)no1)n1ccc(C(F)(F)F)n1 632113166 SHBGRQOEGWRKCO-VIFPVBQESA-N 357.336 2.496 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)COc3ccccc3C)nc2s1 5297856 YCRSSGQESNEHLL-UHFFFAOYSA-N 359.407 2.144 0 40 FEAB COc1ccc(NC(=O)N2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1 12114412 KVGZUYFJZVMKIR-RTHVDDQRSA-N 356.426 2.475 0 40 FEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12892900 ZQOYENGUZKRDDH-WRSAYESZSA-N 362.451 2.319 0 40 FEAB COCCC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19593250 WHPROZZPCFFATK-UHFFFAOYSA-N 357.439 2.221 0 40 FEAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(C(C)C)c4nncn4n3)C2)cc1 19716285 UIYCHMKYUGAUAX-HXUWFJFHSA-N 365.437 2.290 0 40 FEAB CNC(=O)[C@H](CC(C)C)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 677371027 DDJHMCPZPCULMS-HOTGVXAUSA-N 367.877 2.184 0 40 FEAB COCCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCCCC2)c1=O 22697887 MRBWCIQSPUKVEO-LJQANCHMSA-N 357.454 2.479 0 40 FEAB CCOC(=O)CCC(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 23137167 MIWNYAWYTPXRCC-UHFFFAOYSA-N 367.515 2.428 0 40 FEAB Cc1csc2c(N3CCC(NS(=O)(=O)C4CC4)CC3)ncnc12 1889119441 IOXGWXRIOBLNML-UHFFFAOYSA-N 352.485 2.050 0 40 FEAB Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)c(C)n1 2056223663 ZCTCZUQIBGJFCB-KDURUIRLSA-N 365.481 2.473 0 40 FEAB CC(C)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)Cc3ccc(F)cn3)CC[C@@H]21 1565546662 CBMWJISIQFPOPZ-MNEFBYGVSA-N 362.493 2.025 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613059 OBDLWJGBZKGBAZ-AWEZNQCLSA-N 374.372 2.097 0 40 FEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)CC(C)C)C2)cc1 585146905 GTJJXTULPJQEOQ-MRXNPFEDSA-N 367.467 2.149 0 40 FEAB CCOC(=O)CCC(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 35597870 UOBPTLZBABATLZ-ZDUSSCGKSA-N 370.409 2.176 0 40 FEAB CCNc1cc(NCCNC(=O)c2ccc(Br)o2)nc(C)n1 36708077 TWHCKPJAMJLGPB-UHFFFAOYSA-N 368.235 2.414 0 40 FEAB COc1ccc(NC(=O)CSCC(=O)Nc2cc(C)on2)cc1F 40122326 DRXYLNUHBKBRMB-UHFFFAOYSA-N 353.375 2.441 0 40 FEAB O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 51156522 ZNMSZZAPZIJYPQ-QGZVFWFLSA-N 366.483 2.203 0 40 FEAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(C)cc4)[C@H]3C2=O)cc1 101167277 YCXKKZDIAITHHX-DLBZAZTESA-N 350.378 2.497 0 40 FEAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 21528514 GKHZEIYWABCFKZ-CQSZACIVSA-N 354.454 2.403 0 40 FEAB CCc1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 32814409 OKSHLALTFZNZGP-UHFFFAOYSA-N 371.418 2.240 0 40 FEAB O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCCC1 22474987 MHPWILYSVQPYFA-CYBMUJFWSA-N 372.874 2.033 0 40 FEAB CC(=O)Nc1ccc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)s1 22970660 PYELTGJANBSQBO-AWEZNQCLSA-N 353.488 2.183 0 40 FEAB O=C(CCNC(=O)c1ccc(F)cc1F)NCCc1cn2ccccc2n1 23320389 CMTDJJHLWMUCGZ-UHFFFAOYSA-N 372.375 2.091 0 40 FEAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C\c3ccc(C)s3)s2)cc1 105630395 VQHRLVMENUPMAA-IPPJXQLGSA-N 357.456 2.307 0 40 FEAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc2c(s1)CCCC2 61717636 IRWKTQGDZZHMKT-UHFFFAOYSA-N 356.407 2.477 0 40 FEAB Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccco3)cc2c1 933920 IEVHKVZZEQZRSI-UHFFFAOYSA-N 371.462 2.299 0 40 FEAB CCOC(=O)[C@](O)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 3138611 YNYLYXMXGHTXBI-LLVKDONJSA-N 359.222 2.249 0 40 FEAB COC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 3662212 IAJIMBCLBQCDFF-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccco1 8017694 BSGZELLCBVRFLJ-CYBMUJFWSA-N 352.346 2.379 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1F)c1cccc(Cl)c1 8810178 FXVDRYOGQYQKEN-UHFFFAOYSA-N 372.805 2.002 0 40 FEAB Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCCO1 58217416 HJAFAWGLCTVPSN-CYBMUJFWSA-N 355.232 2.381 0 40 FEAB O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccco1 36226571 RTFXLORQDCROBC-UHFFFAOYSA-N 361.829 2.402 0 40 FEAB CCN(C(=O)Nc1cnn(CCOC)c1)[C@@H]1CCN(c2ccccc2)C1=O 72289069 WKLPCGCXJNHSQK-QGZVFWFLSA-N 371.441 2.189 0 40 FEAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(C(N)=O)CC1 28273620 XFUAUAAXXPXREM-UHFFFAOYSA-N 371.462 2.362 0 40 FEAB Cc1cc(C(=O)Nc2c(C)n[nH]c2C)cc(S(=O)(=O)N(C)C)c1C 36398407 YPHYTSSIFKVFEM-UHFFFAOYSA-N 350.444 2.146 0 40 FEAB COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)[nH]2)cc1 51317246 IQRAOQJVMQCSRJ-UHFFFAOYSA-N 361.448 2.402 0 40 FEAB CN(C)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 2648602 GTHUZTSYZQHXFX-UHFFFAOYSA-N 354.362 2.123 0 40 FEAB CCCN(CCC)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCOCC1 46799623 JQPYRKZUDSJNHT-SFHVURJKSA-N 369.531 2.016 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2 108234379 ZIBLVJPAVSRSNK-LXGFNABISA-N 361.401 2.002 0 40 FEAB CCn1c(CNC(=O)c2ccccc2NS(C)(=O)=O)nc2ccccc21 57996047 VOZXGXSUSXJHDN-UHFFFAOYSA-N 372.450 2.358 0 40 FEAB Cc1ncsc1CN1CCC2(CC1)CC(NC(=O)c1cnccn1)C2 108525203 FSUXWZGOPXNCGA-UHFFFAOYSA-N 357.483 2.416 0 40 FEAB CCOC(=O)c1cc(CC)sc1NC(=O)c1nc2nccc(C)n2n1 48367550 SNJQSHKVQXLGGV-UHFFFAOYSA-N 359.411 2.486 0 40 FEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccn2)CC1 12858072 ZFLNQKJXJYGVKM-UHFFFAOYSA-N 353.378 2.301 0 40 FEAB C[C@@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 12894749 FROPYFFOXVQBJJ-ZIAGYGMSSA-N 360.483 2.346 0 40 FEAB CC(=O)N1C[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)Oc2ccccc21 12979022 BBSLLCHBSPHCNM-BEFAXECRSA-N 352.390 2.441 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccc2c(c1)OCO2 13002418 ZBUJKYKGCQVJAH-UHFFFAOYSA-N 367.357 2.259 0 40 FEAB CCNC(=O)CNC(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 97307655 DAHJGZQMTDERSH-UHFFFAOYSA-N 350.419 2.439 0 40 FEAB Cc1ccc(OCCCCNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 49323364 RNVIJZUSXXNOPT-INIZCTEOSA-N 371.524 2.191 0 40 FEAB COCCCNC(=O)c1cc(=O)c(OCc2ccccc2Cl)cn1C 49544024 HENRCJYEWIQNJP-UHFFFAOYSA-N 364.829 2.384 0 40 FEAB Cc1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccc(C)cc2)cc1 4497831 TUUDTXKDUJEZJJ-UHFFFAOYSA-N 371.422 2.475 0 40 FEAB Cn1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 6643583 BYABUCSRJFNQJU-GFCCVEGCSA-N 365.846 2.177 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 15617029 CTLNDVREWVUUQM-SFHVURJKSA-N 354.406 2.222 0 40 FEAB O=C(N[C@H]1CCOC[C@@]12CCN(C(=O)c1ccccc1)C2)N1CCCC1 306131772 KPJBINPSWBYEOD-PXNSSMCTSA-N 357.454 2.113 0 40 FEAB CC(=O)c1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 9950463 VTAGLOBEYUNUSU-UHFFFAOYSA-N 366.464 2.295 0 40 FEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCCC1 409391838 OVWONNNUHYLRSP-UHFFFAOYSA-N 372.874 2.126 0 40 FEAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc(Br)cc1 408732654 XCBWAWLREDIDBA-LBPRGKRZSA-N 354.204 2.226 0 40 FEAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@H](C)CC3)c(OC)c1 21110467 GRDOOROFGIYIAW-GFCCVEGCSA-N 357.410 2.024 0 40 FEAB COc1cc(Br)c(CNCCNC(=O)C(C)C)cc1OC 34992625 IMAQSCSYDBUUGN-UHFFFAOYSA-N 359.264 2.328 0 40 FEAB Cc1cccc(-n2nnnc2SCCNC(=O)OCC(F)(F)F)c1 78448587 KNKBFYLNUUXGGD-UHFFFAOYSA-N 361.349 2.351 0 40 FEAB O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1 70639350 TXWHOJXYPNUFFM-AWEZNQCLSA-N 370.268 2.331 0 40 FEAB COc1ccc2c(ccn2CCNC(=O)c2cccc(-n3cnnn3)c2)c1 72404090 XYMLGGIXQOFFGX-UHFFFAOYSA-N 362.393 2.056 0 40 FEAB Cc1cc(C)n(CCCNC(=O)CN2C(=O)CCCc3ccccc32)n1 227169066 HQSKGRIVFJBZOW-UHFFFAOYSA-N 354.454 2.376 0 40 FEAB COc1cc(N2CCCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906509 QNPMFEUUKWXDBO-ZDUSSCGKSA-N 365.503 2.331 0 40 FEAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225261002 AKHCJBBCCBQQHB-UHFFFAOYSA-N 360.848 2.132 0 40 FEAB CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2csc3ccccc23)C1 331935298 IWPSVUSSYSAOBO-GFCCVEGCSA-N 367.496 2.326 0 40 FEAB Cc1cccc(CN2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 96223428 JBUUJDJXCWRWSU-AZUAARDMSA-N 353.470 2.440 0 40 FEAB CCS(=O)(=O)N1CCC2(CC1)CN(C[C@H]1CCOC1)c1ccccc12 96241310 FKBMAISAVRKYNU-MRXNPFEDSA-N 364.511 2.226 0 40 FEAB O=C(NCC1CC1)[C@@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96240858 PKQNQENTVBFWTF-SFHVURJKSA-N 371.481 2.151 0 40 FEAB Cc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)s1 95472184 MEBTZQBYFBFXPQ-UHFFFAOYSA-N 359.451 2.447 0 40 FEAB CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccncc3)C2)OC1 248046423 MKASUFLRYWEYPB-INIZCTEOSA-N 355.438 2.428 0 40 FEAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@H]1CCc2nncn2C1 585124252 UXCXGHSKXGFESD-NSHDSACASA-N 361.808 2.473 0 40 FEAB O=C(Cn1cccn1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257292998 QNTFDDNMWIKXPC-IEBWSBKVSA-N 359.401 2.251 0 40 FEAB C[C@]12CCCN(C(=O)c3cccc(-c4cncnc4)n3)[C@H]1CCCC(=O)N2 257320496 VXCDQOSLUVIIOC-PXNSSMCTSA-N 365.437 2.202 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)c3ccnnc3)C2)cn1 257312897 UQCYMJZSFOURRI-CQSZACIVSA-N 364.409 2.243 0 40 FEAB CCOc1ccc(CC(=O)N2CCN(C[C@H](O)c3ccco3)CC2)cc1 85436759 ZLAARCUGLMMOLQ-SFHVURJKSA-N 358.438 2.099 0 40 FEAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCCC1)C2 604381224 GBRMFHWGWRCICN-HXUWFJFHSA-N 369.509 2.230 0 40 FEAB biogenic,in-vitro CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2nnc(-c3ccco3)o2)C1 1775957292 MKGRFNIPXGAYOX-DZGCQCFKSA-N 356.382 2.393 0 40 FEAB Cn1cnc([C@@H]2CNC[C@H]2C(=O)N2CC3(CCC3)c3c(F)cccc32)c1 1614995950 RHEKZYIWJLNANX-ZIAGYGMSSA-N 354.429 2.331 0 40 FEAB CCc1n[nH]cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 622995411 NHCCRRHISMEMAW-UHFFFAOYSA-N 364.808 2.363 0 40 FEAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90610652 XVVWSAANUJTTDF-OAHLLOKOSA-N 372.446 2.132 0 40 FEAB NC(=O)c1cccnc1N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 299459653 YCDPNKVUPUCCAT-UHFFFAOYSA-N 364.449 2.022 0 40 FEAB CN(C(=O)/C=C/c1cnc[nH]1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585289302 PJRVJZRMSYZQJU-LATQFLISSA-N 359.401 2.381 0 40 FEAB O=C(NC[C@@H]1CCCO1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112734 UQTMNJZTNQUOJV-ZWKOTPCHSA-N 370.453 2.023 0 40 FEAB CCc1ncncc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685942181 GRFKZYJAFYDGRM-DJJJIMSYSA-N 353.426 2.493 0 40 FEAB COc1ccccc1N1CCN(Cn2nnc(-c3ccccc3)n2)CC1 57289794 IZMLWWLIPLKLCP-UHFFFAOYSA-N 350.426 2.128 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 57406268 SBBJIOXCFKOSDL-BZUAXINKSA-N 365.905 2.486 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168373 WAFCCJCNLLTDPN-UHFFFAOYSA-N 354.328 2.474 0 40 FEAB CCc1ccccc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 5143816 KWJWGAVCQZPDGE-UHFFFAOYSA-N 361.452 2.148 0 40 FEAB COC(=O)C1=NNC2(c3ccccc3Sc3ccccc32)[C@H]1C(=O)OC 5518960 GHHOYJUHYLRLBX-OAHLLOKOSA-N 368.414 2.316 0 40 FEAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2ccncc2)C1 15674990 PDGDQRALERIHAG-CABCVRRESA-N 366.377 2.168 0 40 FEAB biogenic,in-vitro CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16023875 QASHQSDJPNCGKB-UHFFFAOYSA-N 374.890 2.281 0 40 FEAB CC(=O)N(c1ccc(Cl)cc1)S(=O)(=O)NCc1ccccc1N 16139010 WWMXQMIOOHQFCI-UHFFFAOYSA-N 353.831 2.310 0 40 FEAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)Cn1cncn1)CC2 19235788 NQXJXMACTZSSSC-UHFFFAOYSA-N 352.398 2.211 0 40 FEAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)n1 19238087 UTWZBSGQPRHDDW-CYBMUJFWSA-N 373.438 2.293 0 40 FEAB Cc1nc2nc(C)c(CCC(=O)N[C@H](C)Cc3ccccn3)c(C)n2n1 19578480 CNXXYCCEICYAKF-GFCCVEGCSA-N 352.442 2.125 0 40 FEAB CNc1cc(CCNS(=O)(=O)c2ccccc2)nc(-c2ccccn2)n1 19592143 MAURGLKSQHMMQT-UHFFFAOYSA-N 369.450 2.101 0 40 FEAB COCCNC(=O)Cn1ccc2ccnc(-c3ccc(OC)c(OC)c3)c21 19593495 SCLHIACIZRPXSJ-UHFFFAOYSA-N 369.421 2.483 0 40 FEAB Cc1c(C(N)=O)sc2ncn(CC(=O)c3ccc(Cl)cc3)c(=O)c12 937693 GZFKPIGCUDFNFN-UHFFFAOYSA-N 361.810 2.402 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)cc1 1889218348 DSONPPZEXRWJJD-UHFFFAOYSA-N 360.439 2.213 0 40 FEAB Cn1c(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)cc2ccccc21 1614934698 LXAAGGOLXDGMLT-FXAWDEMLSA-N 353.466 2.361 0 40 FEAB Cn1cc(-c2cncc(N3CCN(c4nccc5occc45)CC3)n2)cn1 2087152673 SGWDVCCWOAUPFV-UHFFFAOYSA-N 361.409 2.345 0 40 FEAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NCc1cccnc1 11793807 RWNIPLWPPDUHPH-UHFFFAOYSA-N 371.466 2.409 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 37197467 FSRDNHTUUJMRPX-UHFFFAOYSA-N 367.449 2.368 0 40 FEAB CCc1noc(CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)n1 40120035 LPWRZRWKCBCQFU-UHFFFAOYSA-N 352.797 2.383 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40119974 LLWPWXGDDLMIEH-HIFRSBDPSA-N 370.371 2.349 0 40 FEAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 40142056 JFKZJMCBZYENID-CQSZACIVSA-N 370.478 2.278 0 40 FEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(C3CC3)s2)c1 21293305 LACRBXIOBLJTGJ-UHFFFAOYSA-N 366.468 2.274 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 102345962 CQOMPMHRBZRFRW-DIECFANBSA-N 352.394 2.178 0 40 FEAB CCOC(=O)CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104811 DDXKWBDEMZWINZ-CYBMUJFWSA-N 352.456 2.325 0 40 FEAB C[C@@H]1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@H]2CCCC[C@@H]21 102676630 CQWAYJCJRISQAB-YSOXMCROSA-N 356.466 2.221 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCc1nc2ccccc2s1 102770432 VHPAEZGDHXEAAN-BHWMQLMCSA-N 368.414 2.147 0 40 FEAB CC(C)n1nccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 22290081 GSCXIFOFOSWSMK-LBPRGKRZSA-N 362.455 2.427 0 40 FEAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3)c(=O)c2=O)cc1 22726045 RNJQMDKCUUMKCH-UHFFFAOYSA-N 365.389 2.037 0 40 FEAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)c(C)c1 802496 DOGQWFIYDFJGDR-UHFFFAOYSA-N 352.500 2.491 0 40 FEAB Cc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 12400328 YBCFYKJKMJOCHQ-UHFFFAOYSA-N 371.466 2.142 0 40 FEAB CCn1c(=O)n(C[C@H](O)COc2ccc(C(=O)OC)cc2)c2ccccc21 44349147 MGNRPJJKDGTZTN-HNNXBMFYSA-N 370.405 2.049 0 40 FEAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 44345720 LNGZHFPEVYIQDZ-GFCCVEGCSA-N 357.435 2.338 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCOc2cccc(OC)c2)cc1 26836521 HJJVMGXLMJYTOL-UHFFFAOYSA-N 351.424 2.451 0 40 FEAB COc1cc(CC(=O)NC[C@H](C)N2CCC(C)CC2)cc(OC)c1OC 58223677 KKDNKWZRHJDCEA-HNNXBMFYSA-N 364.486 2.492 0 40 FEAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 58216024 LLHONAOVQCPJCE-HNNXBMFYSA-N 367.449 2.372 0 40 FEAB Cc1c(C(=O)N2CCN(C)CC2)cnc2nc(-c3cccc(Cl)c3)nn12 54670908 LMWANLPPYGCPRL-UHFFFAOYSA-N 370.844 2.141 0 40 FEAB C/C=C/c1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)c(OC)c1 58324073 ORPYAYAARGELFV-WMHVBEDNSA-N 367.409 2.217 0 40 FEAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)c(OC)c1 48081002 FECWESQNBLVQNX-KRWDZBQOSA-N 369.421 2.020 0 40 FEAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 11412777 VCONWZDGOVHCHR-SCLBCKFNSA-N 366.417 2.395 0 40 FEAB Cc1cccc(OCc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)c1 11851778 ZKKKYJAVPONFSN-CQSZACIVSA-N 363.435 2.426 0 40 FEAB CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 25586892 FRBMHNWITBCYQR-UHFFFAOYSA-N 370.833 2.416 0 40 FEAB Cc1ccc([C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C2CC2)cc1 12623588 QZBUNESWGVHOPT-KRWDZBQOSA-N 371.462 2.060 0 40 FEAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(-n2cnnn2)ccc1Cl 12296319 BCZKYLBFKNXXNI-SUMWQHHRSA-N 374.876 2.310 0 40 FEAB biogenic COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)N2CCCC2)cc1 100113400 OJRGDWGEMBDFRA-RLFYNMQTSA-N 366.483 2.268 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCCCCC2)C1=O 12679162 AMBNTKSUBAWEGU-FQEVSTJZSA-N 372.469 2.141 0 40 FEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 48262779 YSRZJGNTHMTZLJ-AWEZNQCLSA-N 362.451 2.348 0 40 FEAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 12737620 ZLHKAOGIKILWQY-ZIAGYGMSSA-N 367.515 2.396 0 40 FEAB NS(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cs1 29456382 YBASHNDIVNSWPW-UHFFFAOYSA-N 364.370 2.344 0 40 FEAB NS(=O)(=O)c1ccsc1C(=O)OCC(=O)c1ccc(Cl)s1 10931186 ZHRCNEYCLLEJHE-UHFFFAOYSA-N 365.841 2.150 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(Br)o1 12910605 NUSAOOXJNFNZGE-UHFFFAOYSA-N 353.220 2.333 0 40 FEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C)cc1C 13005456 CRQNWRXAGJFPQY-UHFFFAOYSA-N 362.451 2.232 0 40 FEAB CCOc1ccc(/C=C/C(=O)NCC(=O)NCc2ccco2)cc1OC 13006773 ARVAFDKGQSKZCB-VQHVLOKHSA-N 358.394 2.133 0 40 FEAB CCC(CC)NC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 13011644 FPQZYEOMKMSWML-UHFFFAOYSA-N 353.488 2.328 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCC2)Oc2ccc(Cl)cc21 38832529 JQHROFRJJHOHKF-OAHLLOKOSA-N 372.874 2.316 0 40 FEAB COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1C(=O)O 13393109 UYCWBZKDVKINTH-UHFFFAOYSA-N 368.389 2.450 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 408614291 ANJJVLKSJWIWMV-AWEZNQCLSA-N 351.406 2.346 0 40 FEAB O=C(O)C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 13427857 ULICMCRRMMUDHP-HNNXBMFYSA-N 368.389 2.134 0 40 FEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccco1 4081906 UJTTYOZBRAIZAM-SGTLLEGYSA-N 374.418 2.183 0 40 FEAB biogenic COc1cccc(-c2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)s2)c1 13732022 XTZMGTFWVOXCNZ-LBPRGKRZSA-N 366.464 2.044 0 40 FEAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=S)Nc1ccccc1 13770373 NNJKRZBHSBAUTK-RRFJBIMHSA-N 361.467 2.058 0 40 FEAB O=C(Cn1nnc(COc2ccccc2)n1)NCCc1cccc(Cl)c1 39995514 KHZQBAPSUPFTAY-UHFFFAOYSA-N 371.828 2.264 0 40 FEAB CCOC(=O)c1cn(-c2cc(OC)cc(OC)c2)c(C(=O)OCC)c1N 65336680 XUEHOJVUTHZSGI-UHFFFAOYSA-N 362.382 2.430 0 40 FEAB CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1OC 4652678 JKPZJFUQQOROLM-XNTDXEJSSA-N 368.389 2.331 0 40 FEAB COc1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113938776 VEOCODCSGIVIPE-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1S(=O)(=O)N(C)C 5882919 KXAAPNVLMXOXNS-UHFFFAOYSA-N 372.443 2.185 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 6937571 PQGZFWCKSUORGP-HXUWFJFHSA-N 366.373 2.203 0 40 FEAB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 23961502 BBOVYIWDUUUXJT-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cn1nnc2cc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc21 67758249 QKQDGBKOBJQRHU-OAHLLOKOSA-N 357.801 2.230 0 40 FEAB CCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 15726433 UBBCTYVJWFZYPJ-UHFFFAOYSA-N 374.441 2.102 0 40 FEAB C[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc(N2CCOC2=O)c1 68663043 NFEMTGJBRWFBAP-LBPRGKRZSA-N 353.378 2.233 0 40 FEAB CCOC(=O)N1CCN(C(=O)CSCc2ccc(OC)cc2)CC1 20237771 IVLBEMLZKHPBJT-UHFFFAOYSA-N 352.456 2.229 0 40 FEAB NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 8850161 WKUNNUKWSWIMRI-CQSZACIVSA-N 359.426 2.006 0 40 FEAB COc1cccc(-c2nnn(CC(=O)NCc3ccc(Cl)cc3)n2)c1 29463824 SDXNLLSTSLTEFQ-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ccccc2)c1 72280781 BWEOZRZJMJTADW-UHFFFAOYSA-N 351.399 2.428 0 40 FEAB COCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 95998528 YQZVWAXLWGXSHF-QGZVFWFLSA-N 359.426 2.044 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCCCCC1 72403926 HUEWWOPVQWODMP-OAHLLOKOSA-N 353.488 2.312 0 40 FEAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 76144164 NOACYWCFDSSXRB-CYBMUJFWSA-N 351.834 2.415 0 40 FEAB CCc1ccc(CCOc2ccc(C[C@]3(O)SC(=O)NC3=O)cc2)nc1 22061092 HDKWBDGQTUQSTO-IBGZPJMESA-N 372.446 2.480 0 40 FEAB in-vitro Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H](C)c3ccccn3)CCOCC2)o1 1547139511 RQYGCHOKUISCKO-CQSZACIVSA-N 372.421 2.365 0 40 FEAB biogenic Cc1ccnc(NC(=O)c2nc(-n3cnnc3)ccc2Br)c1 21721227 XZAMJRMRZCDWLA-UHFFFAOYSA-N 359.187 2.381 0 40 FEAB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2 20725372 PJKAXTXBZQRUKZ-HNNXBMFYSA-N 364.361 2.090 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 306141285 VQONHPMZWVKOFT-OAHLLOKOSA-N 352.381 2.404 0 40 FEAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 408917907 COUNILBNZAVBMB-MPTQWLOMSA-N 354.189 2.189 0 40 FEAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCc1ccncc1 32998104 OCEDTAGSLAVCSD-MRXNPFEDSA-N 373.478 2.258 0 40 FEAB O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc2cc[nH]c12)N1CCCC1 123373589 HMNGEZXMWNGMQW-MRXNPFEDSA-N 355.438 2.412 0 40 FEAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C(=O)CSc2ccccc21 519313714 QGDBQFGEZHXCKO-AWEZNQCLSA-N 362.451 2.070 0 40 FEAB CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCCN(c3ncccn3)C2)n1 79936742 WUKGIBSJHVRZES-NSHDSACASA-N 367.379 2.432 0 40 FEAB CCCc1nnc2c(=O)n(CC(=O)NC3CCCC3)c3ccccc3n12 64871642 ADHYFMJWTYFTID-UHFFFAOYSA-N 353.426 2.056 0 40 FEAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccco2)n1 36357080 NTDZJNPFPYQXMH-UHFFFAOYSA-N 356.338 2.130 0 40 FEAB Cn1ncc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c1Cc1ccccc1 560482140 IWPVINIWHDUCDL-ZDUSSCGKSA-N 367.478 2.337 0 40 FEAB O=C1S[C@H](CC(=O)N2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1 36635254 JWSVIVQPZCTWDP-UKRRQHHQSA-N 362.451 2.409 0 40 FEAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 223729471 GOXGUNHDPLMSAV-IRXDYDNUSA-N 358.467 2.346 0 40 FEAB COCCCNC(=O)C1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 41272862 OVSUKUNRCBGTGV-UHFFFAOYSA-N 372.469 2.410 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccccc1F 224340986 SIWMUFWWKFHASV-UHFFFAOYSA-N 369.462 2.055 0 40 FEAB COc1cc(NC(=S)N[C@@H](CC(=O)O)c2ccc(F)cc2)ncn1 225219870 KAAQLKKXHDJPIJ-NSHDSACASA-N 350.375 2.127 0 40 FEAB O=C(NCC(=O)N1CCCC1)Nc1ccccc1I 48469091 ZKVGBGKZRLPJGF-UHFFFAOYSA-N 373.194 2.035 0 40 FEAB CN(C)c1nccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 224239650 QUURRKXEWYXRHY-UHFFFAOYSA-N 361.254 2.328 0 40 FEAB O=C(Cn1ncc(N2CCCC2)cc1=O)Nc1nc2ccc(F)cc2s1 23145235 HEUNRENAGWZMBZ-UHFFFAOYSA-N 373.413 2.231 0 40 FEAB Cc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)n1 96254650 JHMKVTUJIONPEB-UHFFFAOYSA-N 351.454 2.330 0 40 FEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)NCc1cccs1 96207400 WRAFQOCJNWJAMG-YXJHDRRASA-N 357.479 2.439 0 40 FEAB Cc1occc1C(=O)N1C[C@@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 96057742 RIABEJWMWCKADU-IAOVAPTHSA-N 355.394 2.241 0 40 FEAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccsc2)n(C)n1 248053901 RVOJHDPIFKPPHU-INIZCTEOSA-N 374.510 2.201 0 40 FEAB O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 247854383 JYGNGLDZMQNTDJ-OAHLLOKOSA-N 357.385 2.316 0 40 FEAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257318618 VOSISJZCMRMTLH-HNNXBMFYSA-N 361.423 2.247 0 40 FEAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 665108769 ONCDUMUYDPGLQA-HZPDHXFCSA-N 354.454 2.271 0 40 FEAB Cn1nccc1/C=C/C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 585289622 KXYQYOUZBBSBQL-MBKDTXBISA-N 355.438 2.301 0 40 FEAB CC(C)CC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096022 LSZRSCYBTRNRIZ-INIZCTEOSA-N 360.483 2.233 0 40 FEAB O=C(C1CC=CC1)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775995175 GMRVOVZZLDKXKF-UHFFFAOYSA-N 366.469 2.397 0 40 FEAB Cn1ncc2c(N3CCC(COc4cc(C5CC5)ncn4)CC3)ncnc21 952986042 GWHMCWJNGDOUNA-UHFFFAOYSA-N 365.441 2.326 0 40 FEAB COc1cccc(C(=O)N2CCC3(CC2)CC(=O)N(C)c2cc(C)nn23)c1 1772596577 VJOFECVDSVVTPG-UHFFFAOYSA-N 368.437 2.198 0 40 FEAB Cc1c(OCC(=O)NCCCN(C)C)ccc2c3c(c(=O)oc12)CCCC3 5269040 MLXJJYNDMBMOGF-UHFFFAOYSA-N 372.465 2.427 0 40 FEAB O=C(Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O)N1CCCCC1 12117427 RRLKNMSDAHYCJQ-UHFFFAOYSA-N 369.450 2.170 0 40 FEAB Cc1oc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2c1C(=O)O 13056432 PLBGHCFCCASSMT-UHFFFAOYSA-N 359.382 2.003 0 40 FEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 18211056 PCOFFVXKZRABOG-WBVHZDCISA-N 368.320 2.044 0 40 FEAB COc1ccccc1OCC(=O)NCc1ccc(CN2CCOCC2)cc1 18217526 DDOGHWLSRGOIMK-UHFFFAOYSA-N 370.449 2.223 0 40 FEAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 19593537 YUYMTFKHNWCCOX-INIZCTEOSA-N 373.453 2.439 0 40 FEAB CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3ccccc3F)n2CC1 19706362 HQFKYPBKJDSSHX-KRWDZBQOSA-N 357.433 2.159 0 40 FEAB CCn1c(CN2CC[C@@H](c3cc(C(=O)N(C)C)[nH]n3)C2)nc2ccccc21 19707681 LMSCXIVEKSEIOD-CQSZACIVSA-N 366.469 2.471 0 40 FEAB O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC(c2nccs2)CC1 654638149 WBXIITKABXAFCK-LBPRGKRZSA-N 362.459 2.202 0 40 FEAB FC(F)(F)c1ccnc(N2CCN(c3cc4c(nn3)CCC4)CC2)n1 575606733 FDVDCGDQIATYQK-UHFFFAOYSA-N 350.348 2.101 0 40 FEAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)N2CCNC2=O)cc1Cl 7189101 DXPOKNUQQMKFMM-SNVBAGLBSA-N 365.846 2.262 0 40 FEAB COc1ccc2c(=O)n(CC3CCN(CCn4cccn4)CC3)cnc2c1 1849484083 SDTJHLBHEZICOK-UHFFFAOYSA-N 367.453 2.014 0 40 FEAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 240178509 YYCFJTPKCGHION-MRXNPFEDSA-N 363.464 2.218 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909152 YWXWHEIOJUYEIT-IBGZPJMESA-N 361.417 2.304 0 40 FEAB O=C(c1cccc(Cl)n1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552589 OEUSFYPUPRGBFL-ACJLOTCBSA-N 373.844 2.401 0 40 FEAB Cn1c(=O)c2nc(SCc3c(F)cccc3Cl)n(C)c2n(C)c1=O 4571058 OPTHQVKSQZFRHK-UHFFFAOYSA-N 368.821 2.056 0 40 FEAB Cn1ccnc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 12444496 YSAMGPQCLQDFRT-UHFFFAOYSA-N 350.422 2.301 0 40 FEAB Cc1nc2sc([C@@H](c3ccccc3)N3CCC(C(N)=O)CC3)c(O)n2n1 23156780 PKQTZEPWHWIUAK-CQSZACIVSA-N 371.466 2.092 0 40 FEAB Cn1nnnc1SCC(=O)N1CCS[C@H](c2cccs2)CC1 219464289 QBIXZUFIELQJIL-NSHDSACASA-N 355.514 2.071 0 40 FEAB O=S(=O)(Nc1cnc2ccnn2c1)c1ccccc1OC(F)(F)F 225576509 OPYRAQNLNYLPBA-UHFFFAOYSA-N 358.301 2.429 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(Cc2cccc(Br)c2)CC1 549072044 JVTHEZHALODPFI-UHFFFAOYSA-N 373.316 2.449 0 40 FEAB CCc1ccccc1NC(=O)CN1CCC[C@H](C(=O)Nc2cnccn2)C1 40149664 UMWDQSMKAVZCRI-INIZCTEOSA-N 367.453 2.328 0 40 FEAB Cc1nc2ccccc2nc1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 40159003 UPLJGHABNXCHGH-MAUKXSAKSA-N 357.435 2.435 0 40 FEAB O=C(NCCNS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 40284125 VDONNMGYYUKKKV-UHFFFAOYSA-N 361.448 2.005 0 40 FEAB CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c(C)cc1=O 42542953 BKBLTWYHPSVXFF-CQSZACIVSA-N 371.437 2.391 0 40 FEAB O=C(c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)N1CCOCC1 3134473 HKGFXGBCEFVJEB-UHFFFAOYSA-N 366.339 2.388 0 40 FEAB Cc1csc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)n1 1331977 CIELJFULTLODIR-UHFFFAOYSA-N 361.452 2.135 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)N(C)C)cc1 25174658 KJGFTTFSZYFDMT-QGZVFWFLSA-N 369.421 2.059 0 40 FEAB CCN(CC)C(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 1428173 JMGAPFKUEKGRKU-UHFFFAOYSA-N 374.441 2.464 0 40 FEAB Cc1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1-n1cnnn1 4216435 ZTPOVJDOJGRKTI-UHFFFAOYSA-N 373.482 2.218 0 40 FEAB CC(C)(CNC(=O)c1cccc(C(N)=O)c1)N1CCc2ccccc2C1 25465037 AVKXIQMXGNHFTI-UHFFFAOYSA-N 351.450 2.352 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 6921029 ABVNLHFYPDEWBE-WNKDZCFJSA-N 351.406 2.215 0 40 FEAB CCc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102592117 GFPJPVZTFFRJSX-SCMJLYPYSA-N 350.418 2.241 0 40 FEAB COc1cccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 56299281 PXSDDHRGRUNKMH-UHFFFAOYSA-N 353.422 2.335 0 40 FEAB COc1ccc(NC(=O)Cn2ncc(-c3ccc(C)cc3)nc2=O)cc1 44804034 DAFXNBPMFFJFNJ-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB CCc1nnc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)s1 44921411 DHMGZBGNBAXXRB-NSHDSACASA-N 359.411 2.219 0 40 FEAB C[C@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 108845203 KHGBNZFTJCISQK-ZQDZILKHSA-N 372.421 2.079 0 40 FEAB COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)OCCO3)c(C)n2C 2262481 KRZAZGHRYXVEHZ-SFHVURJKSA-N 360.454 2.368 0 40 FEAB Cc1ccccc1OCc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 11851770 VTJKCQGAGBTZDS-CQSZACIVSA-N 363.435 2.426 0 40 FEAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCO[C@H](Cc2ccccc2)C1 179672817 SXWIDEKSPBVCRT-RBUKOAKNSA-N 366.465 2.313 0 40 FEAB C[C@]1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1(Cl)Cl 3413890 LVKAENKRGFKSDI-CQSZACIVSA-N 359.209 2.140 0 40 FEAB C[C@@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c1ccc2ccccc2c1 84600530 BDAWISKNZYJLQH-CABCVRRESA-N 360.479 2.470 0 40 FEAB CN1CCN(c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 14095335 MJCDJUIYXOCVQB-UHFFFAOYSA-N 373.478 2.094 0 40 FEAB COc1ccc2c(CSc3nnnn3C[C@H]3CCCO3)cc(=O)oc2c1 14121160 ONALXFZKKMMWHF-CYBMUJFWSA-N 374.422 2.259 0 40 FEAB Cc1ccc(NC(=O)CNCC2CCCCC2)cc1S(=O)(=O)N(C)C 5446141 SSOCYGWVUVGHHQ-UHFFFAOYSA-N 367.515 2.354 0 40 FEAB CCN(C(=O)CSc1nnc(C2CC2)n1CCC(N)=O)C1=CCCC1 22749383 ASGYCGLDNQKHKW-UHFFFAOYSA-N 363.487 2.039 0 40 FEAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1cccc(/C=C/c2ccccn2)c1 6657854 QIIYUKHAGXGRRK-BQYQJAHWSA-N 362.389 2.131 0 40 FEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2ccc(OC)cc2)C1=O 9501489 GALNEEZWOLRYLH-FQEVSTJZSA-N 367.405 2.126 0 40 FEAB CNC(=O)c1cccc(NC(=O)CSc2nc(N)c3ccsc3n2)c1 9514457 OOIOFUKIOPGNMV-UHFFFAOYSA-N 373.463 2.364 0 40 FEAB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(O)cc1 9517160 WKLYZSWKRQUESV-SFHVURJKSA-N 373.434 2.461 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)c2ccccc2C1=O 7830946 CLQOWNJLTUTKIL-UHFFFAOYSA-N 374.400 2.127 0 40 FEAB O=C1c2ccccc2CS(=O)(=O)N1Cc1nc(-c2cccs2)no1 69951142 GAFBUUHXLBBTAN-UHFFFAOYSA-N 361.404 2.284 0 40 FEAB COc1ccc(CCNC(=O)N2CCN(c3ccccc3O)CC2)cc1 8747449 OHPUXBLXJACWOI-UHFFFAOYSA-N 355.438 2.475 0 40 FEAB CC(C)Oc1ccc(NC(=O)N[C@H](C)CN2CCN(C)CC2)c(F)c1 72270426 ZNYPVYYZWRPVKU-CQSZACIVSA-N 352.454 2.370 0 40 FEAB CC(C)Cc1nc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc2[nH]1 72405118 TVODLEAKDBFAHX-UHFFFAOYSA-N 366.425 2.310 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2ncoc2C)NC(=O)c2ncoc2C)o1 89652534 NBTJIZDQZIOYQY-LBPRGKRZSA-N 358.354 2.082 0 40 FEAB CCOC(=O)c1cnc2c(-c3ccccc3OC)c(COC)nn2c1N 20635991 QPIFOIPZAAOVSY-UHFFFAOYSA-N 356.382 2.310 0 40 FEAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(F)cc1F 62021492 WCQKKBQVABBWKN-LJQANCHMSA-N 362.376 2.403 0 40 FEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2CCCCO2)on1 548681322 FLDLZGZNDIBAEU-HRCADAONSA-N 353.438 2.313 0 40 FEAB O=C(c1ccccc1CC1CCNCC1)N1CCN(C2CCOCC2)CC1 522005540 DMFPQBNBDRKEMW-UHFFFAOYSA-N 371.525 2.166 0 40 FEAB CCOC(=O)N1CCN(C(=S)Nc2ccc3snnc3c2)CC1 408994478 GEJSKGKWXQZTIX-UHFFFAOYSA-N 351.457 2.162 0 40 FEAB CCCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217551033 ZSDXMNATIQVHOZ-LBPRGKRZSA-N 356.444 2.054 0 40 FEAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217464888 CYZWZSWCUOKCSA-UHFFFAOYSA-N 356.444 2.054 0 40 FEAB CCOC(=O)c1cnc(NC(=S)NCc2ccccc2OC)nc1C 225197922 KHSNAAAKHPMOLK-UHFFFAOYSA-N 360.439 2.457 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 225256383 SQSBJTCZHGGHKS-QGZVFWFLSA-N 354.406 2.093 0 40 FEAB C[C@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 572776396 LKASRJMSIPUNSO-GOEBONIOSA-N 360.483 2.217 0 40 FEAB O=C([C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1)N1CCCC1 96043186 JMALHDIINXVBDV-IPELMVKDSA-N 358.438 2.017 0 40 FEAB Cc1nc(COC[C@@H]2CN(c3ncccn3)Cc3ncn(C)c32)cs1 96045034 FRXIVGLVEMPSAU-ZDUSSCGKSA-N 356.455 2.296 0 40 FEAB COc1ccc([C@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc1OC 96231830 QCYIHRWHHHWGRG-GFCCVEGCSA-N 352.346 2.153 0 40 FEAB O=C(c1cscn1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 247880072 VLDKMYZWOJYJOU-ZDUSSCGKSA-N 354.439 2.119 0 40 FEAB Cc1cc(CNC(=O)c2cc(Br)c3c(c2)OCCO3)n[nH]1 603489078 OFHMMXRAEAANGB-UHFFFAOYSA-N 352.188 2.182 0 40 FEAB CCOc1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)ccc1C 633327199 ZQMIBPKLQJEROS-QGZVFWFLSA-N 370.453 2.162 0 40 FEAB CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC12CCC(CC1)C2 1209013044 NDDOGAHCDDTWHB-JLAWEPINSA-N 371.591 2.244 0 40 FEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3ccc(C)nc3O)C2)c1 585275583 DEVHMYKDVQWCTO-HXUWFJFHSA-N 356.422 2.450 0 40 FEAB O[C@@H]1[C@@H](NCCCN2CCOCC2)CCC[C@H]1Oc1cccc(Cl)c1 585288992 CNXPCVIWOYFEAK-IPMKNSEASA-N 368.905 2.313 0 40 FEAB CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2cccc(F)c2)C1 585283612 SMJSHPICNIBQKI-LJQANCHMSA-N 350.434 2.042 0 40 FEAB Cc1ccc(/C=C/CC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc1 685943057 QVKZXTGPBXRQMQ-BRMSOJTESA-N 354.454 2.198 0 40 FEAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 685942647 KFVWWYWJSXCGEC-RCCFBDPRSA-N 354.454 2.367 0 40 FEAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cnn1C 54671984 YIOFMXIEQMZWRX-UHFFFAOYSA-N 350.444 2.058 0 40 FEAB CCNC(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)OCCO3)c1 40113331 IHNOXJSFLDLENS-UHFFFAOYSA-N 354.406 2.066 0 40 FEAB CC(C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 56037281 PPMZFSFLTVQCLQ-INIZCTEOSA-N 371.524 2.225 0 40 FEAB CSc1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 57389558 LURDIDAVIWJHLO-UHFFFAOYSA-N 359.451 2.398 0 40 FEAB CCn1ccc(CC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)n1 633903563 XDLUXSRTJZNFRA-UHFFFAOYSA-N 354.454 2.175 0 40 FEAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NC1CCCC1 5499280 IGRIJLLQNWCMEC-UHFFFAOYSA-N 373.482 2.266 0 40 FEAB COc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)ccn1 12222563 YOYUUYMFZKDFHB-UHFFFAOYSA-N 366.421 2.107 0 40 FEAB O=C(/C=C/c1ccccc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 19368495 KHMPLQZHZADJPE-ZHACJKMWSA-N 374.444 2.281 0 40 FEAB CCn1c(CNS(=O)(=O)c2cnn(C(F)F)c2C)nc2ccccc21 19524378 OVNOTZOEAZWFAO-UHFFFAOYSA-N 369.397 2.435 0 40 FEAB CCc1nccn1CC1CN(S(=O)(=O)c2cccc3cccnc23)C1 1849701444 MDKRFNIHZRXYLK-UHFFFAOYSA-N 356.451 2.314 0 40 FEAB C[C@H](Oc1ccccc1)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829635 FPAALEUPFDHNAJ-RYUDHWBXSA-N 368.359 2.487 0 40 FEAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 7067689 ZYASNAYFXGKXST-UHFFFAOYSA-N 362.455 2.237 0 40 FEAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1565522057 AVUIBBCSUKDIFQ-OAHLLOKOSA-N 358.891 2.214 0 40 FEAB O=C(c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCc2ccccc21 12229840 PMQACURGYXUOLN-HNNXBMFYSA-N 371.462 2.323 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)CC3CC3)CC2)c1 2055747569 IPWJXFLMPJLOIP-UHFFFAOYSA-N 359.470 2.357 0 40 FEAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccccn2)CC1 2055750994 VLSWTTNTNBWLCJ-UHFFFAOYSA-N 352.438 2.257 0 40 FEAB COc1cccc(CN2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)c1 2055814248 XYOQAPAZGMHURM-NRFANRHFSA-N 366.465 2.013 0 40 FEAB C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NC[C@H]4CCCO4)c(O)n1c23 4326522 HCRRRCLFVWQSHL-GXFFZTMASA-N 360.385 2.262 0 40 FEAB C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NC[C@@H]4CCCO4)c(O)n1c23 4326519 HCRRRCLFVWQSHL-GWCFXTLKSA-N 360.385 2.262 0 40 FEAB Cc1ccoc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 21733526 FLWBQIUFIZFJGU-LLVKDONJSA-N 351.380 2.388 0 40 FEAB COc1ccc([C@H](O)CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1 52742368 SCBJHLHHSUSJIC-OAHLLOKOSA-N 358.423 2.016 0 40 FEAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2N2CCCN12 102706957 QXTBICUHPJMWFJ-GUDVDZBRSA-N 363.417 2.231 0 40 FEAB COc1cc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102934394 OONLZCIKFBJJJK-OKILXGFUSA-N 372.421 2.292 0 40 FEAB Cc1ccc(O)c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)n1 103343996 NDYMSQWMYXASCO-UHFFFAOYSA-N 363.483 2.462 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c2ccccc21 41866574 ZMCSVNNRFCNGTL-MRXNPFEDSA-N 369.465 2.372 0 40 FEAB CC[C@H](C)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 22416417 BMBMQXXYFYFCBI-AWEZNQCLSA-N 358.442 2.436 0 40 FEAB COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 807686 KEGIYBARHVQYPC-UHFFFAOYSA-N 370.434 2.379 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2c(s1)CCCCC2 105560245 MDWJBBSYEQHRPQ-DPDCMNJDSA-N 371.462 2.158 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](c1ccco1)N1CCCC1 47719952 MIPYWWNOBDUJCM-INIZCTEOSA-N 368.499 2.280 0 40 FEAB COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)O 881817 LBHBCXMZFCPQRS-UHFFFAOYSA-N 362.338 2.352 0 40 FEAB O=C(OCC(=O)N1CCCCC1)c1ccccc1I 956130 SATCZFVSZKTDSD-UHFFFAOYSA-N 373.190 2.461 0 40 FEAB COc1ccc(N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cn1 56167157 IRKJRHQIWUVLPN-MRXNPFEDSA-N 354.454 2.235 0 40 FEAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3csc(N4CCCC4=O)n3)C2)c1 107255591 CQOVYCXPTSEUMB-OAHLLOKOSA-N 373.482 2.181 0 40 FEAB O=C(CSc1nnc2[nH]c3ccccc3n12)c1ccc2[nH]c(=O)[nH]c2c1 7983247 FKVVNWQFHMGWRJ-UHFFFAOYSA-N 364.390 2.355 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC(C)C)NC2=O 100181570 FLWPITKDAWGKND-LROULRCXSA-N 358.438 2.475 0 40 FEAB O=C(Cc1ccccc1C(=O)O)/N=c1\[nH]nc(-c2ccc(Cl)cc2)[nH]1 72401106 RYRBZCXGMJFZKO-UHFFFAOYSA-N 356.769 2.426 0 40 FEAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)c1 26013326 PRHSTGZFENHPRA-UHFFFAOYSA-N 372.377 2.379 0 40 FEAB CSc1ccc([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)cc1 57035518 MDWLEUFWRPTWMJ-LLVKDONJSA-N 356.455 2.388 0 40 FEAB Cc1cccc(CCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 44839056 WOAUSZJEPYZLBJ-MRXNPFEDSA-N 361.467 2.431 0 40 FEAB Cc1[nH]ncc1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 58354336 JCVWSMAWYVNFHR-UHFFFAOYSA-N 366.343 2.335 0 40 FEAB CC(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 36389589 ZZSJFPKHDSABLP-UHFFFAOYSA-N 363.767 2.461 0 40 FEAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(Cl)c1 89391796 FMXFJGCHVZFDCU-UHFFFAOYSA-N 368.798 2.199 0 40 FEAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 47412793 KJBVLMIVQOIJPQ-CVEARBPZSA-N 366.483 2.221 0 40 FEAB COc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)c(OC)c1 51316254 CWJOGMNVCYYUCH-UHFFFAOYSA-N 356.378 2.376 0 40 FEAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1I 3391281 XNCJRPCUIQAYIO-VIFPVBQESA-N 361.179 2.363 0 40 FEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc2ccc(F)cc2s1 3412184 VQDMGDQOXQBVRD-UHFFFAOYSA-N 370.365 2.077 0 40 FEAB CCCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3528516 HIAYMLHYDLXNDL-HNNXBMFYSA-N 368.499 2.406 0 40 FEAB O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768361 VDSPANCNMYWFAW-UHFFFAOYSA-N 374.462 2.166 0 40 FEAB Cc1cc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)no1 3555009 LOSHSDWMRHUVBH-UHFFFAOYSA-N 366.373 2.401 0 40 FEAB COc1cc(C)ccc1OCC(=O)NC1(C(=O)O)Cc2ccccc2C1 95424508 XHWNXUPYNAVFTQ-UHFFFAOYSA-N 355.390 2.121 0 40 FEAB O=C1CC(=O)Nc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1 5035752 IBDDJUFQFOABNR-UHFFFAOYSA-N 365.455 2.359 0 40 FEAB COC(=O)c1ccccc1NC(=O)CCn1cnc2ccccc2c1=O 5205395 FQAOCDGTYDYNDR-UHFFFAOYSA-N 351.362 2.212 0 40 FEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC1CCCC1 5229800 ANAXQNWLHWUAOQ-NSHDSACASA-N 352.818 2.060 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(O)c1 5227119 KKSZMMUFTOCQDQ-UHFFFAOYSA-N 368.389 2.388 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnc(C)cn2)c1C 6348930 JRKQISJPWUYHEP-LBPRGKRZSA-N 359.382 2.335 0 40 FEAB COc1cc(CNCCNC(=O)c2cccs2)cc(OC)c1OC 4498139 SJPGVNZOOKEKJM-UHFFFAOYSA-N 350.440 2.294 0 40 FEAB COc1ccc(NC(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)cc1 14233624 FVLYUQLOUSXVCL-UHFFFAOYSA-N 371.393 2.252 0 40 FEAB COc1ccccc1C1(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCOCC1 66051831 RZZRTIUCHCSXLA-DLBZAZTESA-N 369.465 2.397 0 40 FEAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 9479813 RLDCGIRFVPIOBC-MRXNPFEDSA-N 367.405 2.415 0 40 FEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 9500366 NGHNVQUEQPPXNX-DYZYQPBXSA-N 351.353 2.404 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C)c(CC)nc2ccccc12 7141448 GIPBTZCFVKPRTF-GFCCVEGCSA-N 357.410 2.497 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 7248119 CKEXODNHUFQDDO-OAHLLOKOSA-N 361.419 2.350 0 40 FEAB CNC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 7312680 XGGQATAOYYMXST-UHFFFAOYSA-N 351.406 2.421 0 40 FEAB C[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1Cl 7435429 LAMKRTOKSIGYPE-JTQLQIEISA-N 358.269 2.368 0 40 FEAB Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1F 80920783 WYKVRFFIUPYGMR-MRXNPFEDSA-N 372.444 2.257 0 40 FEAB Cc1cccc(O[C@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 7814395 OMBTXGSYQUNHBW-LLVKDONJSA-N 362.407 2.105 0 40 FEAB O=C([C@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCOCC1 8075246 MISJYUIQKCSLFF-MRXNPFEDSA-N 373.482 2.480 0 40 FEAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 8508966 AYCMPJWQVGJFTL-KRWDZBQOSA-N 372.446 2.209 0 40 FEAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 75148529 HOZHIHNJDPFADW-BBRMVZONSA-N 362.426 2.122 0 40 FEAB CCOc1c(Br)cc([C@H]2CC(=O)N=C3N=CNN32)cc1OC 409375581 MRGZHIQCCLXGJB-SNVBAGLBSA-N 367.203 2.032 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)NC1CC(OCc2ccccc2)C1 546651714 VJXDIJBCYOYWTR-DAWZGUTISA-N 357.454 2.187 0 40 FEAB COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 21360576 ZBXMATRNMWCTMP-UHFFFAOYSA-N 370.409 2.189 0 40 FEAB CN1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 23242143 HVNUJKWSGDECNN-CQSZACIVSA-N 353.875 2.353 0 40 FEAB COc1ccccc1OCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 32999727 JHUNIEDGGUINMQ-KRWDZBQOSA-N 368.433 2.239 0 40 FEAB Nc1n[nH]c2nc([C@H]3CCCN3CC(=O)Nc3ccccc3F)ccc12 72374507 PJSLZBKESRJLIC-OAHLLOKOSA-N 354.389 2.455 0 40 FEAB O=C(c1cc(Br)cs1)N1CCN(c2ccccn2)C(=O)C1 1565521959 GEGIJOBOEUTNSP-UHFFFAOYSA-N 366.240 2.395 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1C 30810662 QJYXELYYMVKZKS-UHFFFAOYSA-N 360.479 2.283 0 40 FEAB CCn1ncc(C2=NO[C@@H](C(=O)Nc3cccc(-c4nnco4)c3)C2)c1C 36752637 RVLIAZZRRLGBST-MRXNPFEDSA-N 366.381 2.393 0 40 FEAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@@H](C)Cn1cc(Cl)cn1 36614861 NYIBDKQRDLGQPB-MRVPVSSYSA-N 367.809 2.051 0 40 FEAB Cc1nn2c(nnc3c(=O)n(CC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40395998 CGAONTKWPNBOBE-UHFFFAOYSA-N 369.768 2.153 0 40 FEAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(O)nc2ccccc12 225775636 AWNRSZJAPVGINL-UHFFFAOYSA-N 366.402 2.142 0 40 FEAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)CCN3C2=O)cc1 85436115 YZQVZZPFDMWLRC-GOSISDBHSA-N 350.422 2.152 0 40 FEAB biogenic,in-vitro CC(C)[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3ccccc3c(=O)n21 49181907 CPKFZDMLHUUGSC-DYESRHJHSA-N 363.417 2.111 0 40 FEAB biogenic,in-vitro COc1ccc(CCC(=O)N2CC[C@H](Oc3nccnc3OC)C2)cc1 225807538 LEUICRFMWVEXNY-INIZCTEOSA-N 357.410 2.106 0 40 FEAB Cc1ccc([C@H](O)[C@](Cl)(I)S(C)(=O)=O)cc1 96519996 QILQUSFTGDOABO-UWVGGRQHSA-N 374.627 2.401 0 40 FEAB Cc1cccc(C2=CCN(C(=O)CN(C)c3ncnc4[nH]cnc34)CC2)c1 92517884 ZENVBQCWPDSGNU-UHFFFAOYSA-N 362.437 2.413 0 40 FEAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96055582 OHXXXBHHUBHGLG-ZACQAIPSSA-N 350.484 2.023 0 40 FEAB Cc1ccccc1CCC(=O)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 248170733 VTAWUZIYMRLPQF-LJQANCHMSA-N 372.509 2.267 0 40 FEAB O=C(COCC[C@@H]1CCOC2(C1)CN(Cc1ccncc1)C2)N1CCCC1 247755481 ZDQFIQUBQDEIAO-GOSISDBHSA-N 373.497 2.092 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538952 JJIKVSIYIUJRRX-IIAWOOMASA-N 351.811 2.062 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 245225142 NXCHVFFVTCLFRT-ZIAGYGMSSA-N 354.472 2.014 0 40 FEAB N[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242575086 NRGBSPNZFPBLLU-IIAWOOMASA-N 369.801 2.201 0 40 FEAB c1cnc(Nc2cnc(CC3CCN(Cc4cc[nH]n4)CC3)cn2)cn1 257206945 BFPQEHAICKPVDG-UHFFFAOYSA-N 350.430 2.188 0 40 FEAB O=C(O)c1ccc(=O)n(C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 257228803 FVIDUENFUQQZBZ-MRXNPFEDSA-N 362.813 2.273 0 40 FEAB O=C(c1cncs1)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257252956 JWXGDELOKUUDJR-INIZCTEOSA-N 358.467 2.348 0 40 FEAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C(=O)C1CCC1)C[C@H]2c1ccccc1 257201581 AIFIAIJPDRXJIK-NMLBUPMWSA-N 356.466 2.010 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3cccnn3)C2)ncn1 257343665 ZTXRYAZYBLOHEP-AWEZNQCLSA-N 364.409 2.243 0 40 FEAB COc1cc(CCC(=O)N2CCC[C@H]2c2cc(N(C)C)nc(C)n2)on1 257231867 GIMBNJSLSWVQMV-HNNXBMFYSA-N 359.430 2.144 0 40 FEAB COc1ccc(N(CCCC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 260798122 PEYHQWIBIDTRHC-HNNXBMFYSA-N 368.499 2.500 0 40 FEAB COc1ccc2nc(C(=O)N3CC[C@H](CN4CCCC4=O)C3)ccc2c1 620249659 RFOOQGGTVYTKQT-CQSZACIVSA-N 353.422 2.328 0 40 FEAB COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)N1CCCC1 635114445 WCGHNBRFMUYDDS-ROUUACIJSA-N 373.497 2.207 0 40 FEAB O=C(Cc1cnccc1C(F)(F)F)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957800 NZCFGOVRXXKWON-UONOGXRCSA-N 354.332 2.482 0 40 FEAB CCCc1nnc(N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)s1 96136238 PKNQFOIBOIRFAY-SJCJKPOMSA-N 350.488 2.256 0 40 FEAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@@H]21 575403610 IDDVTBOSSAGGRR-CCYYAIQYSA-N 372.509 2.299 0 40 FEAB Cc1cncc(CN2CCC[C@]3(C[C@@H](NC(=O)OCC(C)C)CO3)C2)n1 585102411 JTUVPIKGCNSIGP-APWZRJJASA-N 362.474 2.291 0 40 FEAB CN[C@@H](Cc1c(Br)cc(O)cc1Br)C(=O)OC 675082476 URDRQSGGOWIIIP-JTQLQIEISA-N 367.037 2.221 0 40 FEAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)NC[C@H]1CCCO1 36708879 IIXZPJKDIUWTLJ-QGZVFWFLSA-N 356.470 2.044 0 40 FEAB CCC(=O)N1CCC[C@@H](C(=O)NCCNc2ncccc2C(F)(F)F)C1 56076798 OIDJOEXOIMTVHK-GFCCVEGCSA-N 372.391 2.277 0 40 FEAB C[C@H](NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1)c1nncn1C 84668030 CARQWEXLLUGYBO-LBPRGKRZSA-N 366.466 2.013 0 40 FEAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 5314618 PDOJRLCPGIXFER-UHFFFAOYSA-N 358.466 2.089 0 40 FEAB COc1ccccc1-c1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1 5452438 JUYQXXPTUVGPHX-UHFFFAOYSA-N 363.377 2.090 0 40 FEAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1C 5628463 DZKQSJCRJGOUJD-CQSZACIVSA-N 371.437 2.214 0 40 FEAB Cc1cc(C)cc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 17337905 HIUPIVQPNVYKLQ-UHFFFAOYSA-N 357.435 2.323 0 40 FEAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCn3cncn3)CC1)O2 19218194 LVGFHBXCQDTWMD-UHFFFAOYSA-N 354.410 2.003 0 40 FEAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)C3)C1 19711119 YVWUETGXOSGLKH-KRWDZBQOSA-N 373.501 2.317 0 40 FEAB COC(=O)c1ccccc1N(C)C(=O)c1cnn(-c2ccc(F)cc2)n1 151556571 FGZWGUUMXFFZCG-UHFFFAOYSA-N 354.341 2.470 0 40 FEAB COCCN1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 23127361 LHRNAZRPGKJVGC-UHFFFAOYSA-N 367.877 2.062 0 40 FEAB COc1ccc(CN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)cc1F 583618055 YKBOARYBEUULPW-HIFRSBDPSA-N 357.389 2.234 0 40 FEAB O=C(CCc1ccc(C(F)(F)F)cc1)NC1CN(c2cnccn2)C1 1888859987 IOTRTDXWAPKNAU-UHFFFAOYSA-N 350.344 2.433 0 40 FEAB Cc1noc(C)c1C(=O)N1CCOC2(CCN(Cc3ccccn3)CC2)C1 1565542164 YTEYPWLECUNFAG-UHFFFAOYSA-N 370.453 2.194 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O 1565541625 IKVWJSWYXNTYAG-DENIHFKCSA-N 364.445 2.083 0 40 FEAB O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1ccc(C(F)(F)F)cc1 4249798 LEFUXZKLTASGTP-UHFFFAOYSA-N 369.328 2.167 0 40 FEAB Cc1csc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)c1 2055781606 SRIPZIQHWUFKFD-UHFFFAOYSA-N 372.494 2.411 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](SC(=S)N3CCOCC3)C2=O)cc1C 13576763 RTOBIXROZFLOAQ-AWEZNQCLSA-N 364.492 2.286 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1 40160741 NZYSNRGZSWPWAK-LLVKDONJSA-N 364.389 2.385 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101179086 UDMZIZQOKPBLNY-GVDBMIGSSA-N 356.422 2.275 0 40 FEAB C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 32826439 OMYKKTTXSGFTIH-CYBMUJFWSA-N 354.385 2.295 0 40 FEAB Cc1nc(C)c(CCC(=O)Nc2cc3c(cc2Cl)OCCO3)c(=O)[nH]1 32848219 NFYLQACMQNCMIA-UHFFFAOYSA-N 363.801 2.383 0 40 FEAB Cc1cc(CN(C)CCC(=O)NC(N)=O)cc(C)c1OCC(F)(F)F 54396448 KTHHNIMLKMUCGP-UHFFFAOYSA-N 361.364 2.261 0 40 FEAB CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 982648 IINBFEJGSBKCGP-UHFFFAOYSA-N 363.435 2.415 0 40 FEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cnc2ccccc2n1 23717611 IOSVJGSGQSWRLP-UHFFFAOYSA-N 354.454 2.395 0 40 FEAB COc1ccc(CNC[C@H]2CN(C)CCO2)cc1OCc1cccnc1 105471341 KFFPJOMFZOSJDY-SFHVURJKSA-N 357.454 2.089 0 40 FEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24677697 SCOKTEOLPONLMK-GXTWGEPZSA-N 374.890 2.038 0 40 FEAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nc(-c2ccco2)no1 24835637 SMHVCZXONPIFNH-UHFFFAOYSA-N 360.333 2.274 0 40 FEAB Cc1c([C@H](C)NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cnn1C 24999436 FVCDGESGCPFRMY-VIFPVBQESA-N 355.847 2.276 0 40 FEAB COc1ccc(NS(=O)(=O)c2cccc(Nc3ncnc(N)n3)c2)cc1 4530218 GVULGEJXQQEOTL-UHFFFAOYSA-N 372.410 2.007 0 40 FEAB COc1ccc(NC(=O)C(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)cc1 4568636 CYUXMFZLEXGGTG-HNNXBMFYSA-N 373.331 2.129 0 40 FEAB C[C@H](O)CCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 107305412 WTJYDBMHYPQFNJ-SYCDKNDMSA-N 368.470 2.222 0 40 FEAB CN(C)C(=O)c1nnc2sc(-c3ccc(Br)cc3)nn12 57354704 CJFSAJFPPYWTKH-UHFFFAOYSA-N 352.217 2.317 0 40 FEAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C(N)=O)C1 12569674 RJINPVDNXGHIQD-HZPDHXFCSA-N 358.486 2.201 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OC 20024749 CWCNBNIACPVTPJ-INIZCTEOSA-N 374.462 2.411 0 40 FEAB CN(C)C(=O)Cn1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)nn1 58222806 DVLLPZYBOPXBIP-HNNXBMFYSA-N 357.458 2.274 0 40 FEAB O=C(NCC(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1)c1ccccc1 58202513 KTUFNTWDMNWPKF-KRWDZBQOSA-N 371.481 2.104 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCOCC1)c1ccccc12 101431125 ZHBITYRHMWXKEU-QGZVFWFLSA-N 356.466 2.303 0 40 FEAB O=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 9364443 XBJLUUBFRZDXRS-UHFFFAOYSA-N 363.414 2.364 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 27836938 ZXOHFTXVMZZMCQ-VXGBXAGGSA-N 364.389 2.446 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2C)CC1 27823641 ZNFDBJLTIDXBDJ-UHFFFAOYSA-N 370.471 2.165 0 40 FEAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(Cn2ccnc2)c1 58379648 RBMMGIYJSANYSW-UHFFFAOYSA-N 374.408 2.229 0 40 FEAB COCCn1c(N)c(C(=O)O[C@@H](C)COC)c2nc3ccccc3nc21 2220131 QYGFOHALYKBUNK-NSHDSACASA-N 358.398 2.005 0 40 FEAB COc1ccc(C)cc1CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 12545161 LMHVQDJIOBLGKR-QGZVFWFLSA-N 367.449 2.106 0 40 FEAB O=C(COCCOc1ccccc1)NCc1ccc(N2CCCC2)nc1 45882981 KBICIQDKPQLKCK-UHFFFAOYSA-N 355.438 2.394 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 104209530 ZJEUUDOBFLQKBE-PSJNWGMYSA-N 373.412 2.226 0 40 FEAB O=S(=O)(NC1CC2(CCN(Cc3cccc(F)c3F)C2)C1)C1CC1 108525022 KWFQRZGTBCIDRN-UHFFFAOYSA-N 356.438 2.401 0 40 FEAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccc2ccccc2c1 84605806 ZQEBDVOXSROUAB-RTBURBONSA-N 372.490 2.221 0 40 FEAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998103 URRIONGHUGYGHP-STQMWFEESA-N 350.440 2.156 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213840 YANRWBSULLZYRN-XLSPSMHOSA-N 368.518 2.353 0 40 FEAB CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CCCCC1 3244777 RGXKYFNZVCBAQS-HXUWFJFHSA-N 355.438 2.171 0 40 FEAB CC(=O)N[C@H](CC(=O)NCc1cccnc1-n1cccn1)c1cccs1 48168612 ILMRQRLCXUEHLM-OAHLLOKOSA-N 369.450 2.213 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccc2ccccc2c1 12794716 HRDFFDAMNPSELU-DYVFJYSZSA-N 351.406 2.444 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC2CCCC2)cc1 12787845 HMNVEFLBZKTHQM-QGZVFWFLSA-N 368.499 2.447 0 40 FEAB O=C(C[C@H](NCCc1ccccc1)C(=O)O)Nc1ccc2c(c1)OCO2 28232144 WHIIDBXEHYULJH-HNNXBMFYSA-N 356.378 2.029 0 40 FEAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 48313747 YNHCKRPMOIRJQA-MRXNPFEDSA-N 360.435 2.157 0 40 FEAB CNC(=O)NC(=O)[C@H](OC(=O)c1cccnc1SC)c1ccccc1 3557791 CEPIGKSPDIRHBV-CYBMUJFWSA-N 359.407 2.157 0 40 FEAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 12998183 PDUKEOIJVRZBGZ-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB CC(C)c1n[nH]c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 12974044 OBKSROYJMHEDHJ-UHFFFAOYSA-N 370.500 2.350 0 40 FEAB COc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19556772 KHWMYTSEJQOBMD-SQNIBIBYSA-N 356.466 2.430 0 40 FEAB O=C(COC(=O)c1ccc(F)cc1F)NC[C@@H]1COc2ccccc2O1 5215780 ZWESUEVWVDGXMH-GFCCVEGCSA-N 363.316 2.078 0 40 FEAB CSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 14197577 DGZAMHMGNQNLES-KRWDZBQOSA-N 359.407 2.407 0 40 FEAB O=C(OCc1cc2c(cc1Br)OCCO2)c1cnccn1 6486200 RIXZTYRCRBAQHX-UHFFFAOYSA-N 351.156 2.367 0 40 FEAB CCOc1ccc2nc(COC(=O)c3ccncc3)c(C(C)=O)[n+]([O-])c2c1 5499103 VSSKKJWGCIEEPQ-UHFFFAOYSA-N 367.361 2.222 0 40 FEAB CCCOc1ccc(Cc2c(O)nc(N3CCOCC3)[nH]c2=O)cc1C 27579394 WONDAOSUZFPTBO-UHFFFAOYSA-N 359.426 2.000 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C 6934348 WQRCRUTVJUIPNG-UHFFFAOYSA-N 353.422 2.432 0 40 FEAB C[C@@H]1CCCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7486598 VXNVDPOFMQUXAV-OAHLLOKOSA-N 365.499 2.284 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)cc2)C1=O 15842816 SLSSOBYZDGMZQH-CYBMUJFWSA-N 358.419 2.276 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2)c2ccccc2O1 7825868 IBQUDKHHJRKTDV-MRXNPFEDSA-N 360.797 2.259 0 40 FEAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 9501143 NCEDHJQFXXFSDH-HXUWFJFHSA-N 357.454 2.419 0 40 FEAB COc1cc(N2C[C@@H]3OC[C@H](CCOCc4cccc(C)n4)[C@@H]3C2)ncn1 306131499 KGRCFUSZOXCXED-SZMVWBNQSA-N 370.453 2.247 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=O)N1C1CC1 8193902 LSXJHEXKFFVPHE-QGZVFWFLSA-N 359.401 2.187 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1 69343147 TUNFZCXEHAKJDN-HUUCEWRRSA-N 355.456 2.083 0 40 FEAB Cc1cc(C)c(S(=O)(=O)NCc2nnc3nc(C)cc(C)n23)c(C)c1 8389954 WZLGHNJHSFSYDR-UHFFFAOYSA-N 359.455 2.145 0 40 FEAB COc1cccc(N2C(=O)C[C@H](Nc3cc(C(=O)O)ccc3C)C2=O)c1 9683130 PPMIYQGSNAXPSO-INIZCTEOSA-N 354.362 2.446 0 40 FEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1 17857283 YUQOPJPGXWOVQF-CADBVGFASA-N 374.396 2.051 0 40 FEAB biogenic Cc1nnc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)o1 69930473 WZEKLLBPZBTGLF-OAHLLOKOSA-N 367.361 2.282 0 40 FEAB Cc1ccc(SCC(=O)NN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)c1 8754588 KTBIBWQCPXIADN-GOSISDBHSA-N 373.434 2.487 0 40 FEAB Cc1c(CCC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)oc2cc(O)ccc12 8879922 AASNJZKAXNNCFH-LBPRGKRZSA-N 359.378 2.063 0 40 FEAB biogenic Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 24477526 LZTXIPDHKVPRPO-OAHLLOKOSA-N 354.454 2.252 0 40 FEAB Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)n2ncnc2n1 4354521 ZKRWGPGVLZYPQJ-UHFFFAOYSA-N 351.439 2.369 0 40 FEAB Cc1cccc(CN2CC3(CC[C@H](CNC(=O)N4CCCC4)CO3)C2)n1 306132662 LOORHFROKRUBRO-QGZVFWFLSA-N 358.486 2.176 0 40 FEAB CCn1cc(CN2Cc3cncn3[C@H](C(=O)NCc3cccs3)C2)cn1 306133650 MSEAEPUTQLNJMJ-KRWDZBQOSA-N 370.482 2.034 0 40 FEAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306134532 NQIBSZYHYABATN-UHFFFAOYSA-N 357.433 2.005 0 40 FEAB CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 79440167 PVEVAFPYOJNCBV-CJNGLKHVSA-N 362.426 2.342 0 40 FEAB CN(C)CCn1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 72391695 RKMDLPYJBIUFGC-INIZCTEOSA-N 370.501 2.284 0 40 FEAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218479315 HQWCVMQDADPXSM-WSTZPKSXSA-N 373.474 2.443 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3nccs3)N=C2O)cc1 36589741 DBQSWPHZUWTXIH-CYBMUJFWSA-N 374.422 2.195 0 40 FEAB O=C(NC1CCCC1)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1 72328348 GWSAKUYRVKZCHS-UHFFFAOYSA-N 369.446 2.472 0 40 FEAB COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cn1 35425445 PIFURWDNLIXETB-INIZCTEOSA-N 374.441 2.473 0 40 FEAB biogenic,in-vitro Cc1n[nH]c(-c2nn3c(-c4cnccn4)nnc3s2)c1Br 72401608 QGWZPAMBMUMNEX-UHFFFAOYSA-N 363.204 2.104 0 40 FEAB CCc1nc2c(C)cccn2c1C(=O)N1CCN(C(=O)c2ccco2)CC1 71460548 ZADKSOWWYSJCSB-UHFFFAOYSA-N 366.421 2.396 0 40 FEAB N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccnc3nccn23)C1 72360631 PILMTQFWRSNISG-RDJZCZTQSA-N 367.428 2.144 0 40 FEAB O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1COc2ccccc2C1 45755434 GMCFDSNGTHNBJP-IBGZPJMESA-N 366.465 2.349 0 40 FEAB CN(CCCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 46639108 XXXGMRSNMNTPDN-UHFFFAOYSA-N 351.406 2.193 0 40 FEAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223124745 FPZYWZWHVMIAGE-MSOLQXFVSA-N 372.494 2.288 0 40 FEAB CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1cc(C)ccc1C 225934742 UJWQNXIEKCPIGX-UHFFFAOYSA-N 370.515 2.245 0 40 FEAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)cn1 96108173 ARDFXKOBESPOTQ-FUHWJXTLSA-N 357.479 2.425 0 40 FEAB Cc1ccc(N2C[C@]3(COCCN(Cc4cccnc4)C3)OCC2=O)cc1 96240093 PCGDADGHVYHLFN-OAQYLSRUSA-N 367.449 2.024 0 40 FEAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1 96036766 YSVLEKBJILQMIX-QGZVFWFLSA-N 372.469 2.138 0 40 FEAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C(=O)c1cscn1)C2 247859844 ZGFIRBIMCRQDHL-OAHLLOKOSA-N 359.451 2.437 0 40 FEAB Cc1cccc(C)c1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 247874901 NNOKUKBHPFCGLZ-JYJNAYRXSA-N 350.484 2.374 0 40 FEAB COc1ccccc1[C@H]1Cn2ccnc2CN1CC(=O)N1CCCCC1 257209053 BOTWZPFOJMWHJJ-QGZVFWFLSA-N 354.454 2.461 0 40 FEAB CC(C)(C)c1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)[nH]n1 257217530 CZJDELCOOVQDJA-HOTGVXAUSA-N 358.442 2.147 0 40 FEAB COc1cccc(CN[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)c1 257332106 XVUCVRRWIMIAML-UAFMIMERSA-N 361.413 2.256 0 40 FEAB Cc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257271732 MZOSOKWKZRLLMV-OWCLPIDISA-N 358.467 2.296 0 40 FEAB CNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)c4cccs4)C3)ccnc12 257208483 BMJHRRZPLCBRTR-GFCCVEGCSA-N 369.450 2.170 0 40 FEAB O=C(C1CCC(F)(F)CC1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257310149 UDVYWHMRYSRJTA-AWEZNQCLSA-N 355.385 2.168 0 40 FEAB COc1cccc(Cc2cccc([C@@H]3CN(C(=O)CN(C)C)CCO3)n2)c1 257222536 DTRHAAVVUMUKGM-FQEVSTJZSA-N 369.465 2.143 0 40 FEAB CC(C)(C)CC(=O)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 642062840 AOHWHDMNFCCYMP-UHFFFAOYSA-N 360.380 2.009 0 40 FEAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@H]2C[C@@H](C)O[C@H]2C)cn1 665142568 BMNYXTYGRHMUQY-QZCUMHFISA-N 350.463 2.407 0 40 FEAB Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 92098936 CISRJHNKHYROSA-DLBZAZTESA-N 369.421 2.058 0 40 FEAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCCCC(=O)O 1776002265 LXKZDCCELUNCBF-UHFFFAOYSA-N 351.353 2.291 0 40 FEAB C[C@@H](Oc1ccc(NC(=O)Cc2cn3c(n2)CCCC3)cc1F)C(=O)O 630259850 CYFLTUNMYLTLMS-LLVKDONJSA-N 361.373 2.392 0 40 FEAB C[C@@H](Oc1ccc(NC(=O)CN2CCCCCC2=O)cc1F)C(=O)O 630260451 XWJUKPRGLYWHBY-LLVKDONJSA-N 352.362 2.019 0 40 FEAB C[C@H]1CCn2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2C1 630685917 XKLHZZYGMODXHE-AWEZNQCLSA-N 370.428 2.203 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N[C@H](C)Cn2nc3c(cc2=O)CCCCC3)C1 72324399 XVTOFRVAONHSRU-HYVNUMGLSA-N 361.486 2.222 0 40 FEAB Cc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)ccn1 1615160402 QTIJADNSUNEWGJ-NRFANRHFSA-N 365.433 2.428 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1C 5326528 XOKVOAYTUAZUEI-LLVKDONJSA-N 350.415 2.224 0 40 FEAB C[C@H]1Cc2cc([C@@H](O)CN3CCCCCC3)ccc2N1S(C)(=O)=O 12180950 PZHLDGBEXDWCRT-KSSFIOAISA-N 352.500 2.307 0 40 FEAB CC1CCN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)CC1 12182431 YFDXUVRQLMSQOG-UHFFFAOYSA-N 365.437 2.180 0 40 FEAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 12221859 XRPKKLNDMWYVBX-NSHDSACASA-N 367.384 2.216 0 40 FEAB CCOC(=O)c1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)cc1 16777604 NMCKLGCVXJOWHN-UHFFFAOYSA-N 371.422 2.342 0 40 FEAB COc1ccc(N2C[C@H](C(=O)NC(C)(C)CN3CCCCC3)CC2=O)cc1 19084914 AEZGKIBBESIGBX-MRXNPFEDSA-N 373.497 2.429 0 40 FEAB Cc1nccn1C[C@@H](C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19287780 QLLZXRNVFYMOTL-MRXNPFEDSA-N 372.469 2.177 0 40 FEAB CCn1cc(C(=O)N2CCO[C@H](c3nc(-c4cccs4)no3)C2)cn1 19524880 KDXHDXPJEKHIBA-LBPRGKRZSA-N 359.411 2.228 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)N3CCCC[C@H]3C)CC2=O)cc1OC 5201921 YDJFXBAOSXNEIM-ZIAGYGMSSA-N 361.442 2.393 0 40 FEAB Cn1ncc(C(F)(F)F)c1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 665914745 TYQKFSJDYUAMBA-LLVKDONJSA-N 373.356 2.087 0 40 FEAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 6378128 WWLGYAQNMBZJLT-GOSISDBHSA-N 352.434 2.403 0 40 FEAB biogenic Cc1ccc2nc(CN3CCN(c4ccccc4O)CC3)cc(=O)n2c1 7239693 YAWNGZVJDXKCEG-UHFFFAOYSA-N 350.422 2.031 0 40 FEAB CC(C)[C@H](NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccccc1 10927513 NTPFSEWLISVKDL-KRWDZBQOSA-N 371.437 2.233 0 40 FEAB COc1ccc(OC)c2sc(N(C)C3CN(c4cnccn4)C3)nc12 1888976956 OCGWRZFMXMOWMV-UHFFFAOYSA-N 357.439 2.429 0 40 FEAB O=C([C@@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1)N1CCSCC1 1889138981 DPQSOKPESZCDJN-OAHLLOKOSA-N 371.510 2.399 0 40 FEAB Cc1cc(C)nc(N2CC[C@H]3C[C@H](CN4C[C@H](C)O[C@H](C)C4)O[C@H]3C2)n1 2056225266 HFXXEHIEBSOOMB-APAFKAMOSA-N 360.502 2.186 0 40 FEAB Cc1oncc1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614940649 SUVYEMWLFIPFFU-QGZVFWFLSA-N 352.394 2.272 0 40 FEAB Cc1cc(C)cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)c1 1565541676 LVDOWLWYYFWRIC-VQTJNVASSA-N 351.450 2.424 0 40 FEAB CS(=O)(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccsc2)CC1 1565541826 SVZVPLQEUXOPOV-HNNXBMFYSA-N 356.513 2.414 0 40 FEAB CCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12 4250797 KORMASCMFPLLLM-UHFFFAOYSA-N 365.437 2.338 0 40 FEAB Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccncc1 4383808 TUBYQNPDBNZLNT-UHFFFAOYSA-N 369.406 2.306 0 40 FEAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)c1c[nH]c2ccccc12 4497452 PLHKMBZNWUGUIR-ZDUSSCGKSA-N 365.364 2.411 0 40 FEAB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 6667965 CUKIFGKQPMIJLC-DXCKQFNASA-N 350.802 2.387 0 40 FEAB O=C(c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1)N1CCOCC1 100615665 AETLTPDSRYCINJ-CVEARBPZSA-N 374.824 2.181 0 40 FEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3cccc(OC)c3)C2=O)cc1 101277710 BALCFQTUNZJSSZ-CVEARBPZSA-N 352.350 2.202 0 40 FEAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)c1cccs1 32741204 UJPOJWUAPYXGOX-CQSZACIVSA-N 372.446 2.440 0 40 FEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 23219428 YUDUCXGGYVZTQR-UHFFFAOYSA-N 358.419 2.469 0 40 FEAB Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)c1C 23248988 FLBUZYGDDRTZBL-KRWDZBQOSA-N 374.529 2.163 0 40 FEAB COC(=O)[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1 24097049 UQOTYOUNLNSXDL-HNNXBMFYSA-N 368.480 2.002 0 40 FEAB COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)cc(C(=O)OC)c1 1088637 NAVIYXCNXAWVMX-UHFFFAOYSA-N 363.391 2.202 0 40 FEAB CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(-c2ccccc2)cs1 3315164 HAWCFHGQQCVFJU-UHFFFAOYSA-N 374.447 2.227 0 40 FEAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(OC)c1)CC(=O)N2 4944392 FVDSFDGBHHQQGM-SNVBAGLBSA-N 361.423 2.460 0 40 FEAB CCC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 6944851 CUGZCMXCWMSOAZ-LLVKDONJSA-N 362.879 2.419 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1 6817957 FNRCNNCHBQQDLA-UHFFFAOYSA-N 366.468 2.274 0 40 FEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1nn(C)cc1Cl 100143043 XIPCTVCATSMTLU-ZWNOBZJWSA-N 356.817 2.327 0 40 FEAB COc1ccc(OCCN(C)C(=O)c2cnn(-c3ccccc3)n2)cc1 57621640 QZLUGIZIJPOWKC-UHFFFAOYSA-N 352.394 2.427 0 40 FEAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@@H]2CCN(C)C(=O)C2)C(C)C)c1 44437715 SLMOKIKRDMMVDP-CRAIPNDOSA-N 374.437 2.264 0 40 FEAB CCCc1nn2c(=O)cc(COC(=O)c3ccc4c(c3)OCO4)nc2s1 8605677 NREXQNZWZTUOHG-UHFFFAOYSA-N 373.390 2.189 0 40 FEAB Cn1ncc2c1CCC[C@H]2NC(=O)NC1CCN(Cc2ccncc2)CC1 58171686 IPIKPFMPTMYVFL-GOSISDBHSA-N 368.485 2.156 0 40 FEAB CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 58293618 CEAKOOQTKAYTLR-KBPBESRZSA-N 353.260 2.489 0 40 FEAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc2[nH]nnc2c1 58216517 IXEQKCBOPZKKQE-NSHDSACASA-N 357.364 2.492 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)c(OC)c1 58324071 ORPYAYAARGELFV-LLCTXKFZSA-N 367.409 2.217 0 40 FEAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2cccc(F)c2)cc1F 36392273 KUDWKUFURSFSJL-UHFFFAOYSA-N 354.378 2.445 0 40 FEAB COc1ccccc1NC1=N[C@H](c2ccncc2)n2c(nc(C)cc2=O)N1 104017251 VYNSSQGRVCBFGY-KRWDZBQOSA-N 362.393 2.396 0 40 FEAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(OC)c1OC 28712101 IMPJTZLNTHLEFA-AWEZNQCLSA-N 357.366 2.112 0 40 FEAB Cc1nn(C)c(C)c1CC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 29874595 UBAYEJLMBKMLSN-GOSISDBHSA-N 355.417 2.358 0 40 FEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccc(Cl)cc2C1 46422851 IHMAZBFTXPZQSB-ZBFHGGJFSA-N 372.856 2.466 0 40 FEAB Cn1c(SCc2cccs2)nnc(Nc2ccc(C(N)=O)cc2)c1=O 28536832 ATIYTCWDRFUIBB-UHFFFAOYSA-N 373.463 2.372 0 40 FEAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccco1 12296619 YCHYTTFGMCUBOD-UHFFFAOYSA-N 352.394 2.145 0 40 FEAB biogenic CC(C)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 47463993 QTRMBFMFMBJECK-STQMWFEESA-N 355.460 2.014 0 40 FEAB C[C@H](c1ccccc1)N(C)C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 12679383 FCTNPQJIUDFVBM-DNVCBOLYSA-N 351.450 2.118 0 40 FEAB CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 48285709 QAKLSTPTVQZBQR-UHFFFAOYSA-N 371.455 2.058 0 40 FEAB O=C(NCC1CC1)[C@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48289171 HOHLKDCPPQCSCC-ZDUSSCGKSA-N 363.845 2.444 0 40 FEAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)c1ccc(F)c(F)c1 12848134 PFMWIIWNBQQYSY-JTQLQIEISA-N 358.304 2.369 0 40 FEAB CC(=O)N1CCN(c2ccc(Oc3nnnn3-c3ccccc3)cc2)CC1 3422500 JBYFSFMITDAGOR-UHFFFAOYSA-N 364.409 2.123 0 40 FEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 3439714 OIPPYRKNQMZVNO-UHFFFAOYSA-N 369.352 2.064 0 40 FEAB CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 12948856 PXFHBKIVSZXSAU-AWEZNQCLSA-N 355.394 2.130 0 40 FEAB CCc1cc(C(=O)OC)c(NC(=O)Cn2cnc3ccccc3c2=O)s1 95482169 DZIOYZIDARMEMH-UHFFFAOYSA-N 371.418 2.446 0 40 FEAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 14093617 VIMBRQURSJBGRO-MRXNPFEDSA-N 351.410 2.314 0 40 FEAB COc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1 6433562 PBJHTKLQEXSDFB-UHFFFAOYSA-N 367.199 2.097 0 40 FEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1 14254644 DYPKOQGNTXAYBI-OAGGEKHMSA-N 351.830 2.393 0 40 FEAB Cc1cc(C(=O)OCC(=O)c2ccccc2F)cc(S(N)(=O)=O)c1C 21484976 ZCLRCSLVPOVXQR-UHFFFAOYSA-N 365.382 2.130 0 40 FEAB C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 4723303 JKYQSZVUTGSXSR-HNNXBMFYSA-N 361.467 2.177 0 40 FEAB COc1cc(CCC(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC 5693326 UIVUZYVDYGMTEW-UHFFFAOYSA-N 365.426 2.247 0 40 FEAB Cc1cc(C)n(-c2cncc(N3CCC(C(=O)N4CCCC4)CC3)n2)n1 67711629 QAPSBJABFHFFFZ-UHFFFAOYSA-N 354.458 2.118 0 40 FEAB O=C(COC(=O)CCC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 7396171 QKSKSPNUHBVFQO-UHFFFAOYSA-N 369.373 2.238 0 40 FEAB CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C)on2)s1)C1CC1 7672959 JUYFVUOZXXJHDS-UHFFFAOYSA-N 367.456 2.471 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1C 408647353 BRBSISFPRUXTKE-UHFFFAOYSA-N 358.394 2.475 0 40 FEAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379671 VDLXEGWDWYUSBF-CMDGGOBGSA-N 362.476 2.294 0 40 FEAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17072945 ODJJOKMPVQJHIU-JTQLQIEISA-N 351.453 2.036 0 40 FEAB COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 8704684 SIHSFTHUBWIBJA-HXUWFJFHSA-N 366.373 2.108 0 40 FEAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2)c2ccccc2O1 18935779 YZLJAKFSDACUOI-GOSISDBHSA-N 353.422 2.419 0 40 FEAB COC[C@H](O)CNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 8879977 FSUZIIUNPPIZDS-CYBMUJFWSA-N 373.405 2.212 0 40 FEAB biogenic CC(=O)Nc1ncccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 97162800 RJUILDCATMMZBV-UHFFFAOYSA-N 357.395 2.027 0 40 FEAB COC(=O)C(C)(C)C(C)(C)NS(=O)(=O)c1cnn(-c2ccccc2)c1 72301984 ZCKDESBOSPIIGW-UHFFFAOYSA-N 365.455 2.128 0 40 FEAB CC(C)=C[C@@H]1[C@H](C(=O)OCCOCCNC(=O)C(F)(F)F)C1(C)C 95997388 NLSCHFVWRSVWHT-VXGBXAGGSA-N 351.365 2.463 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493457 WZXDPBVLTSJQTI-UGSOOPFHSA-N 372.446 2.191 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 408548821 LQYGXYFCGLSREL-LFIBNONCSA-N 366.373 2.331 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCCN2CCc3ccccc32)c1 30009349 YBOQPSDQUZOFSY-UHFFFAOYSA-N 374.462 2.204 0 40 FEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)cc3)C2=O)o1 33658305 YXBNIHWXMRKXRZ-ZROIWOOFSA-N 356.334 2.168 0 40 FEAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@H]4CCCO4)cc3)C(=O)[C@@H]2C1 408682686 LFCVIVHXZVPPRV-FGTMMUONSA-N 368.433 2.441 0 40 FEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 34892154 XKHWJGLNAIBAQI-MMDVMMEASA-N 358.785 2.382 0 40 FEAB CN1CCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)CC1 40121250 YNLUMZWRQVDSHM-UHFFFAOYSA-N 372.513 2.069 0 40 FEAB Cc1cc(-c2noc(CNC(=O)c3cc(-c4cccnc4)on3)n2)no1 225813311 OUDCSLQKXHMLBA-UHFFFAOYSA-N 352.310 2.013 0 40 FEAB Cc1ccsc1C(=O)N1C[C@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96240839 AWTJEVDBXKRZCL-OAHLLOKOSA-N 362.495 2.452 0 40 FEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCOC[C@H](Cc2ccncn2)C1 257203716 ARISPXRHQQZEDD-CYBMUJFWSA-N 354.385 2.428 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257283218 OXGIDUTUPYNZKE-QGZVFWFLSA-N 357.458 2.287 0 40 FEAB C[S@@](=O)c1cccc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)c1 609527378 OYNCTIVCVZNGOP-RUZDIDTESA-N 355.419 2.116 0 40 FEAB Cn1nc(C(=O)O)cc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 630164978 MMCSDHMPUHDXEU-UHFFFAOYSA-N 363.801 2.455 0 40 FEAB COc1ccc([C@@H](CC(=O)O)NC(=O)Cn2c(O)nc3ccccc32)cc1 675945784 DEQUVQBPPQALKJ-OAHLLOKOSA-N 369.377 2.083 0 40 FEAB CN(c1ccccc1NC(=O)Nc1cnn(C)c1C(F)F)S(C)(=O)=O 677619730 DZRFNCGCGKYZOA-UHFFFAOYSA-N 373.385 2.398 0 40 FEAB C[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)c1ccc(F)cc1F 1261256974 AHUGDCGYJYTFPS-VIFPVBQESA-N 352.366 2.286 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 96025591 KJXLJWYHEACUKT-QGZVFWFLSA-N 362.407 2.090 0 40 FEAB CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(CC1CCCCC1)CC2 585100135 GLYIRPXXXDZPOV-LJQANCHMSA-N 370.559 2.458 0 40 FEAB O=C(O[C@@H]1CCOC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585399719 UMFKZRFQJCTQFP-DOMZBBRYSA-N 373.858 2.427 0 40 FEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)CCCn3ccnc3)C2)c1 585272714 PUEJGNHBNZMROL-FQEVSTJZSA-N 357.454 2.404 0 40 FEAB Cn1cc(C(=O)N2CCC(COc3ncccc3C(F)(F)F)CC2)nn1 1775995914 NDGBQQJLWGYXMB-UHFFFAOYSA-N 369.347 2.160 0 40 FEAB Cc1nc(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1CC(N)=O 48289381 GBWUDYUMNQOTFO-UMNHJUIQSA-N 355.529 2.464 0 40 FEAB Cc1noc(C)c1C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 60083101 HBZSCNKDKAUWOF-BETUJISGSA-N 371.437 2.471 0 40 FEAB CCN1CCC(CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)CC1 57000630 PWIOENDPZBBPIW-OAHLLOKOSA-N 359.470 2.039 0 40 FEAB O=C(CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccccn1 57171031 BIVQKCKVEWQJQW-GOSISDBHSA-N 366.465 2.439 0 40 FEAB CC[C@@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 74645099 WSMOVLHFGZBFRG-GOSISDBHSA-N 363.417 2.226 0 40 FEAB Cc1ccccc1CN1CCC(NC(=O)c2nc3nccc(C)n3n2)CC1 58400045 NARIHWLJUZQNTG-UHFFFAOYSA-N 364.453 2.136 0 40 FEAB CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1CC(O)C1 680600093 VWBXREMAFGXGPI-UHFFFAOYSA-N 350.216 2.435 0 40 FEAB O=C(O)[C@H]1COCCN1C(=O)CCCc1ccc(Br)s1 88374223 PKJWYIBDGKWBOJ-SNVBAGLBSA-N 362.245 2.145 0 40 FEAB COc1ccc2ncc(NC(=O)NCCN3CCC(C)CC3)c(O)c2n1 12222028 DHPOKKNSAREVMH-UHFFFAOYSA-N 359.430 2.197 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC[C@@H](O)C2)C1 19016955 VGDHYFVFBYCOHX-JKSUJKDBSA-N 356.470 2.246 0 40 FEAB C[C@H](Cc1ccc(F)cc1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19456809 RXNVLQCVSUCOOY-ZBFHGGJFSA-N 368.460 2.263 0 40 FEAB CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 19524606 KTINGGLDULRMDS-QHAWAJNXSA-N 354.498 2.074 0 40 FEAB Cn1cc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cn1 19715501 KAIYJOWMNMWRQR-ZDUSSCGKSA-N 370.432 2.329 0 40 FEAB C/C=C/Cn1c(Sc2nc3ccccc3o2)nc2c1c(=O)[nH]c(=O)n2C 5252220 VOMXIJZCRJAQGW-ONEGZZNKSA-N 369.406 2.292 0 40 FEAB CN(C)C(=O)N1CCC(CNC(=O)c2ccc(Br)o2)CC1 390830183 JHIABWOSBVZXNL-UHFFFAOYSA-N 358.236 2.166 0 40 FEAB Cc1ncnc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)c1F 1888890232 OQGOBSDONUCWKZ-UHFFFAOYSA-N 366.400 2.413 0 40 FEAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5ccccc45)CC3)nn2)n1 1889223276 IMXKPVGPSJMDIX-UHFFFAOYSA-N 372.436 2.241 0 40 FEAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)C[C@@H](C)O1 22301121 ATPMZKMEISONEJ-GHMZBOCLSA-N 372.454 2.276 0 40 FEAB Cc1ccc(CC(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 2037958859 FQKOMCIKTLJWJX-XFQXTVEOSA-N 358.413 2.406 0 40 FEAB O=C([C@H]1CN(c2ncnc3ccccc23)CCO1)N1CCC(F)(F)CC1 2087139259 JXKYZXVZAIWNAQ-OAHLLOKOSA-N 362.380 2.093 0 40 FEAB CN1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2ccsc2)CC1 22767095 LPGRKDINPGRAQX-AWEZNQCLSA-N 371.553 2.077 0 40 FEAB CCn1cnc2c(N3CCN(Cc4nc5ccccc5[nH]4)CC3)ncnc21 508331382 ZVLPRPUALOPJPQ-UHFFFAOYSA-N 362.441 2.045 0 40 FEAB COc1ccccc1C(=O)NCCNc1ccc(Nc2ccncc2)nn1 11697770 GNCMYTSQDBEQPK-UHFFFAOYSA-N 364.409 2.466 0 40 FEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(-c2ccccc2)c1 30031992 LRPHUWQCEFCSFY-UHFFFAOYSA-N 365.418 2.443 0 40 FEAB Cc1ccccc1OCCNC(=O)CCN1C(=O)c2ccccc2C1=O 40156964 YJODZJGHTVSYHK-UHFFFAOYSA-N 352.390 2.176 0 40 FEAB COc1cc2oc(=O)c(CC(=O)N3CCN(C)CC3)c(C)c2cc1Cl 20592240 UMEGMDLBGGBKPQ-UHFFFAOYSA-N 364.829 2.080 0 40 FEAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1 21173190 KNUYFYPQNNQKHC-UHFFFAOYSA-N 366.421 2.261 0 40 FEAB CC(=O)N1CCN(CCNc2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 52129247 GBZRAGFZZJYEBL-CYBMUJFWSA-N 373.526 2.392 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cccc(C)c1 41097411 PWRZKABZPGZKGO-SFHVURJKSA-N 368.433 2.015 0 40 FEAB O=C(c1nc(Cl)ccc1Cl)N1CCN(C(=O)N2CCCC2)CC1 32754655 OIDNMJJYOUIAIP-UHFFFAOYSA-N 357.241 2.362 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cccc(Cl)c2)cc1 32915246 SEKXASZVELFTDH-HNNXBMFYSA-N 353.827 2.207 0 40 FEAB CCCCc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 102884921 AUENMZYOBDNCJV-RYUDHWBXSA-N 362.455 2.161 0 40 FEAB COC(=O)C(C)(C)NC(=O)c1cc(OC)c(Br)c(OC)c1 23152191 OYQFIUZKNAIOEA-UHFFFAOYSA-N 360.204 2.148 0 40 FEAB CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 938050 RXVNXBWESPXHFR-KRWDZBQOSA-N 361.419 2.286 0 40 FEAB COC(=O)c1cc(NS(=O)(=O)c2ccccc2C)cc(C(=O)OC)c1 642768 VWLFGESEZCDQKI-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB O=C1C=C(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)cc1 1441540 NKRXNDNSAHCBNW-UHFFFAOYSA-N 367.380 2.111 0 40 FEAB COc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1OC 3280180 DUHPBSNNSHVLFM-UHFFFAOYSA-N 369.377 2.235 0 40 FEAB COc1ccccc1C1=NN2C(=NC(C)=C(C(N)=O)[C@@H]2c2ccccc2)N1 4279789 IQDRAMOENDMYNY-KRWDZBQOSA-N 361.405 2.132 0 40 FEAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(N)=O)c12 4675884 JMXZKLNINXYAHL-DHDCSXOGSA-N 370.478 2.109 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 4922151 VHWPDHZVMSODCJ-YQQAZPJKSA-N 360.454 2.209 0 40 FEAB CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(Cl)c(Cl)c1 4937790 IUYXTNRQTLASAJ-UHFFFAOYSA-N 365.282 2.377 0 40 FEAB COc1cc(O)nc(S[C@H](C)C(=O)Nc2nnc(C(C)C)s2)n1 4999459 PNARHADHWNGQEP-SSDOTTSWSA-N 355.445 2.285 0 40 FEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCSCc2ccco2)cc1 5638148 JBCQZYUOPRQNED-UHFFFAOYSA-N 368.480 2.193 0 40 FEAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CNC[C@@H]2CCCO2)cc1 6543712 JLPBOZPGSAEWNL-QUCCMNQESA-N 355.434 2.426 0 40 FEAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1 6881292 DAVJFWBKLPWFCY-OAHLLOKOSA-N 352.438 2.433 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ncccn3)ccc21 7417004 VUVRBXYAQKEXHQ-UHFFFAOYSA-N 363.464 2.164 0 40 FEAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnsc1Cl 8314903 QINVXXUFHNLYGN-NSHDSACASA-N 361.814 2.336 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1OC 8475976 DTEVBKJUNQDONR-UHFFFAOYSA-N 352.456 2.224 0 40 FEAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccccc1F 8732501 FTDYLYAKUKVXJE-LBPRGKRZSA-N 372.352 2.281 0 40 FEAB CN(CCOc1ccccc1Cl)CC(=O)Nc1ccccc1C(N)=O 8852076 WTSVWMSHVDVBOY-UHFFFAOYSA-N 361.829 2.388 0 40 FEAB CCNC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399838 PYXVREDESTWJIS-CYBMUJFWSA-N 371.528 2.263 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 12921830 HYTVDGYHWLUXGW-QGZVFWFLSA-N 374.462 2.032 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)Cc2cc(=O)n3ccc(C)cc3n2)cc1 15281063 BYNAGQVHWKKCGN-UHFFFAOYSA-N 357.435 2.132 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1=O 15842886 ANASSMOPJNJQBG-LLVKDONJSA-N 362.382 2.391 0 40 FEAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 16598266 KHLXDUWMQHYZNY-NSHDSACASA-N 352.387 2.140 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(F)ccc1F 19293029 ZJLJWKYHPJICMM-CQSZACIVSA-N 374.391 2.226 0 40 FEAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCCc2ccccc21 19797391 PEAMPAARUBXPGQ-UHFFFAOYSA-N 370.430 2.346 0 40 FEAB O=C(Nc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCOCC1 19882285 ULIJWYVQQLNXFB-KRWDZBQOSA-N 356.422 2.011 0 40 FEAB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23106846 ASJSEIXDVUEIMO-MRXNPFEDSA-N 373.478 2.185 0 40 FEAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccc2c(c1)OCCCO2 29403978 PSBIIIPTIYFSFE-UHFFFAOYSA-N 362.407 2.056 0 40 FEAB CCN(CC)[C@H](CNC(=O)CSc1nc2ncccn2n1)c1ccco1 29918753 ZWFBESQCYWWXGF-CYBMUJFWSA-N 374.470 2.009 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 32667660 JIOJJMIGCAICSQ-OAHLLOKOSA-N 357.454 2.494 0 40 FEAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 32932932 FMWMXRWSBAWBIG-UHFFFAOYSA-N 366.361 2.004 0 40 FEAB Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C)CC2)cc1 35310847 JXNYGJMHYNRZEH-FQEVSTJZSA-N 362.481 2.367 0 40 FEAB CN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCN1CCCCC1)C2=O 35474865 VMQGAJYTRGHRNO-GOSISDBHSA-N 372.444 2.104 0 40 FEAB COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1CN1CCOCC1 35684102 VQPWSHFWDBSYKE-UHFFFAOYSA-N 368.437 2.309 0 40 FEAB CC(C)[C@H](C)NC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 40120322 VMPKLASRUQADHI-QFBILLFUSA-N 357.498 2.196 0 40 FEAB O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 40161270 WYSIVRIAUBCXMR-UHFFFAOYSA-N 361.423 2.352 0 40 FEAB CC(C)c1cccc(OCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 47568628 WHZFKQGQCUPAFQ-UHFFFAOYSA-N 374.481 2.286 0 40 FEAB CS[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 47971315 YAQNZQTYJJILFO-LLVKDONJSA-N 354.453 2.448 0 40 FEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccccn3)cn2)c1C 49407455 QHHOZHUBWYCKLT-UHFFFAOYSA-N 365.393 2.077 0 40 FEAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NNC(=O)[C@H]3CCCO3)c2C1 53508484 KCKTWRBQDZCMCJ-SJKOYZFVSA-N 353.422 2.300 0 40 FEAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCNc2ccc(C)nn2)cc1 57887520 LBLYLUGBELJFDQ-ZDUSSCGKSA-N 373.482 2.452 0 40 FEAB Cc1ccc(C(=O)NCC(=O)Nc2ccccc2N2CCOC2=O)s1 58162847 ZTRHSNLRFBVHTQ-UHFFFAOYSA-N 359.407 2.382 0 40 FEAB Cc1ccccc1-c1cc(NC(=O)NC2CCC(O)CC2)n(CCO)n1 58183073 UJJUBBXKZMDWJL-UHFFFAOYSA-N 358.442 2.276 0 40 FEAB CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CCSCC2)c1 63207452 WBUGZIJACSSMJX-UHFFFAOYSA-N 365.455 2.405 0 40 FEAB CCOc1ccc(S(=O)(=O)N2CC(OCCOC)C2)c2ccccc12 75093721 QVNNACMXEUNIKU-UHFFFAOYSA-N 365.451 2.274 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 96025590 KJXLJWYHEACUKT-KRWDZBQOSA-N 362.407 2.090 0 40 FEAB O=C(O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(Cc1cccnc1)C2 96185207 LGDXWJCTBXXYDF-ICSRJNTNSA-N 355.438 2.473 0 40 FEAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 96216919 FAEFZFSUCMWWSD-LJQANCHMSA-N 372.494 2.466 0 40 FEAB Cc1cc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3CC2)c(C)o1 96255216 RZSBGWQWZDOQPB-UHFFFAOYSA-N 351.410 2.328 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102082816 OLEXVNQVJBYREK-AUTURXRWSA-N 350.418 2.295 0 40 FEAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc4c3O[C@H](C)C(=O)N4)C2)n1 104291061 ZTLDHNKCVYKSOO-ZYHUDNBSSA-N 356.382 2.117 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 107326435 KFPWWDANYFOJGE-OSFYFWSMSA-N 372.421 2.115 0 40 FEAB CCOCCCNc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217555473 APLPJGBEELCFRC-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB O=C(NCc1ccccc1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223361935 AXIGFYPPWMLETN-MRXNPFEDSA-N 352.390 2.223 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NC(C)C 225208735 HKBZCOHGKAKZBJ-UHFFFAOYSA-N 357.501 2.175 0 40 FEAB COC[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516876 XMOZQAIUUQOTIE-JZXOWHBKSA-N 364.394 2.483 0 40 FEAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)nc(C)n1 257228066 FSDOGSHXMRIEJJ-CQSZACIVSA-N 350.419 2.492 0 40 FEAB Cc1cc([C@@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)nc(C)n1 257270424 MUDYGWDFXSBJAI-SFHVURJKSA-N 351.410 2.492 0 40 FEAB CNC(=O)c1cnn2c([C@@H]3CCN(Cc4sccc4C)C3)ccnc12 257314801 UYMGWXAPUWZRSA-CYBMUJFWSA-N 355.467 2.448 0 40 FEAB O=C(c1cnccn1)N1CC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 306134610 NTMOMSWHUULNFU-MRXNPFEDSA-N 371.404 2.211 0 40 FEAB Cn1nccc1C(=O)N1CC[C@]2(Cc3ncc(-c4cccs4)n3C2)C1 306138202 RSENTGYOHRXRBB-SFHVURJKSA-N 353.451 2.434 0 40 FEAB Cc1cc(O)nc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c1 508571664 URBZCVGLDWXIBC-UHFFFAOYSA-N 355.394 2.129 0 40 FEAB COCCn1ccc(=O)c(OCC(=O)Nc2c(F)cccc2F)c1C 524734196 GWULNKPCXHCUGR-UHFFFAOYSA-N 352.337 2.099 0 40 FEAB O=C(NCc1ccccc1CN1CCC(O)CC1)c1c[nH]c2ncccc12 530914162 MWXWLFFZSXRCBS-UHFFFAOYSA-N 364.449 2.450 0 40 FEAB O=C1NCCCN(Cc2ccc3c(c2)OCCO3)[C@@H]1Cc1ccccc1 550226460 AGRDFTWTXNNAQF-GOSISDBHSA-N 352.434 2.391 0 40 FEAB CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 551522957 FXVQBHBOWOBZJM-IBGZPJMESA-N 353.466 2.025 0 40 FEAB Cc1nccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)CC2)n1 563783254 CYVNWMZGGSXPTK-HNNXBMFYSA-N 366.465 2.390 0 40 FEAB COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575413959 YLIDITCQDDXKKF-CQSZACIVSA-N 361.785 2.210 0 40 FEAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 585103448 WMKJQWXEFHJWNJ-IEBWSBKVSA-N 361.461 2.271 0 40 FEAB O=C1C[C@]2(CCN(C(=O)c3ccc4oc(O)nc4n3)C2)Oc2ccccc21 616281348 ISQUQWSDIRCDJE-IBGZPJMESA-N 365.345 2.179 0 40 FEAB CCOc1cncc(CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 621728502 RFQXOTSMVYRJBY-DLBZAZTESA-N 367.449 2.489 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)c3cc(F)cnc3O)CC2)c(C)o1 621850324 UHGDYVDGCDNQFD-UHFFFAOYSA-N 361.373 2.171 0 40 FEAB CN(C)c1ccc([C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n[nH]2)nn1 643906931 MLVCEXCRTDIHKG-LLVKDONJSA-N 354.336 2.262 0 40 FEAB Cc1cc(CN(C)C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)no1 644303713 GHVKMNKINUFCHA-HXUWFJFHSA-N 357.454 2.359 0 40 FEAB COc1ccc(-c2nc(CN3CCN(Cc4nc[nH]n4)CC3)cs2)cc1 660025530 OTIIPGIYJRWFPT-UHFFFAOYSA-N 370.482 2.255 0 40 FEAB C[C@@H]1CC[C@H](NC(=O)NCC2C3CC4CC(C3)CC2C4)CS1(=O)=O 664551783 GLERRXYGVMBKNT-LUCZXWKPSA-N 354.516 2.324 0 40 FEAB O=C(O)[C@H]1CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CCO1 669503373 FEJHUCFDQAGRAP-OLZOCXBDSA-N 360.332 2.045 0 40 FEAB Cc1ccnc(N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)n1 1888890307 UGPXFWIGPBZZMB-UHFFFAOYSA-N 364.457 2.013 0 40 FEAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cc2ccccc2s1 2037971295 XQVFRYJHAUABCJ-IZZBFERCSA-N 369.486 2.411 0 40 FEAB O=C(c1ccoc1)N1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713316 ZVANTNPWRJSJLJ-UHFFFAOYSA-N 368.393 2.017 0 40 FEAB CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 674814 PXLBWEMQFXLUDZ-UHFFFAOYSA-N 362.455 2.248 0 40 FEAB C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 95398188 CEEGAHNDEIEWDA-LSDHHAIUSA-N 366.483 2.095 0 40 FEAB CN(CC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)C(=O)c1cccs1 79015743 FWNZDOCIMPQNDS-UHFFFAOYSA-N 370.434 2.073 0 40 FEAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 24969845 UTGIEYZNINIXSG-UHFFFAOYSA-N 362.451 2.426 0 40 FEAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35413610 HCTHUAGSYKRHOS-NSHDSACASA-N 359.348 2.076 0 40 FEAB O=C(NC1CCN(C(=O)c2ccc(Br)cc2O)CC1)C1CC1 58216712 QKPLDWHMXNULMU-UHFFFAOYSA-N 367.243 2.286 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1ccccc1-n1cnnn1)c1ccco1 58210408 NFKATQIIYZVBOD-MRXNPFEDSA-N 354.414 2.068 0 40 FEAB Cc1ccccc1OCCN(C)C(=O)c1nn(C)c(=O)c2ccccc12 58269793 SSUPRMHKBUWPSJ-UHFFFAOYSA-N 351.406 2.393 0 40 FEAB O=C1OCCN1c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2 58378242 UMFWCKHQEUJSAK-UHFFFAOYSA-N 360.391 2.379 0 40 FEAB CCCCN(C(=O)c1cc(F)cc2[nH]cnc12)[C@H]1CCS(=O)(=O)C1 58304583 HYFLIARDIYAKJS-LBPRGKRZSA-N 353.419 2.131 0 40 FEAB Cn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@H]1NS(C)(=O)=O 2218141 ALMWMIGMSWPOKU-HUUCEWRRSA-N 360.464 2.406 0 40 FEAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1)C(C)C 36579953 TXCADTQQYUTQQZ-WBVHZDCISA-N 374.416 2.404 0 40 FEAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)[nH]n1 11116921 INPKDFTZUFJRFA-UHFFFAOYSA-N 363.421 2.238 0 40 FEAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)NCc1ccc(OC)cc1 11480190 FWCHXMVEAKOVNW-ZDUSSCGKSA-N 358.394 2.351 0 40 FEAB O=C(c1ccno1)N1CCC[C@]2(CC1)CCN(Cc1cccnc1)C2=O 108534478 CSPXDMNBRCFWKI-IBGZPJMESA-N 354.410 2.115 0 40 FEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489641 KNTRLDJAFXDFFP-CYBMUJFWSA-N 371.462 2.437 0 40 FEAB Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H](C)Cn3ccnc3C)C2)n1 172130414 PWWLGJADKXMFDX-RDTXWAMCSA-N 373.505 2.158 0 40 FEAB CN1CCC(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)CC1 48265121 GPFBEKNRTWRGEL-UHFFFAOYSA-N 368.481 2.428 0 40 FEAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 12749963 NNJXKWBOYPEURW-ZDUSSCGKSA-N 362.451 2.371 0 40 FEAB O=C(COc1ccc(-n2ncnn2)cc1)Nc1cccc(Br)c1 27750159 BDFDABBPYCZSLN-UHFFFAOYSA-N 374.198 2.442 0 40 FEAB O=C(CCCc1nc2ccccc2[nH]1)NCCC(=O)Nc1ccccn1 48326769 JIRGCZJYGDEGRF-UHFFFAOYSA-N 351.410 2.426 0 40 FEAB COC(=O)c1ccc2c(=O)nc(CN(C)Cc3cccc(F)c3)[nH]c2c1 12818984 VCQWWAWKZLRSJV-UHFFFAOYSA-N 355.369 2.481 0 40 FEAB CN1CCN(c2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 12893665 RLRRQDRTXKCDQO-KRWDZBQOSA-N 372.856 2.429 0 40 FEAB CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C1=CCCC1 12857316 BYPCSKMSVMUPLF-FQEVSTJZSA-N 369.421 2.133 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc(Cl)nc2)cc1OC 3470627 KSZRAVXCNGXUFW-UHFFFAOYSA-N 364.785 2.225 0 40 FEAB CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(Cl)c1 3443020 KTQIIFGPHXAUAI-UHFFFAOYSA-N 358.872 2.338 0 40 FEAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NC)c1CC 3515037 RGBLDHNROXIRPL-UHFFFAOYSA-N 357.410 2.362 0 40 FEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 12986493 APRVLYXJEDHLGA-SFHVURJKSA-N 353.378 2.398 0 40 FEAB O=C(NNc1ncccn1)[C@H]1CCN(C[C@@H]2CCCc3ccccc32)C1 96012294 UWXZNHSPEFPDJA-IRXDYDNUSA-N 351.454 2.362 0 40 FEAB COCCNC(=O)C(=O)Nc1nc(-c2c(C)n(C)c3ccccc23)cs1 13552254 IMFSBBOYBCLRSK-UHFFFAOYSA-N 372.450 2.311 0 40 FEAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1cc(F)ccc1F 9338113 BRLUHAYCIKGADA-UHFFFAOYSA-N 373.363 2.295 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N3[C@H](C)CCC[C@H]3C)n2)cc1OC 5038665 GSNUUYNTCOJQKB-CHWSQXEVSA-N 359.430 2.147 0 40 FEAB CC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)c1 14246763 ZUVRRGMQNFCPBH-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCc2ccccc21 5534647 RLOFEYQFVIZBNP-ZDUSSCGKSA-N 373.430 2.225 0 40 FEAB O=C(Cn1nnc2ccccc2c1=O)OCc1ncc(-c2ccccc2)o1 16274501 MXCLNXQVIJQDFH-UHFFFAOYSA-N 362.345 2.190 0 40 FEAB CC(C)NC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 16214140 YEQXFHSIGNPFFP-UHFFFAOYSA-N 353.469 2.453 0 40 FEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1F 7973537 QCIGZHSNSRYCGM-UHFFFAOYSA-N 365.430 2.435 0 40 FEAB COC(=O)[C@H]1CCCc2c1cnn2CC(=O)NCc1ccc(Cl)cc1 83884550 PITMEARPVUVDFX-AWEZNQCLSA-N 361.829 2.446 0 40 FEAB O=C(NCc1ccccc1CO)Nc1cccc(Cn2cccnc2=O)c1 69487727 XCUDDIRPHHLANF-UHFFFAOYSA-N 364.405 2.106 0 40 FEAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 9726167 BNGSSKASPATHOH-LJQANCHMSA-N 370.457 2.348 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1F 409136145 STQXQCPBZHXZFG-CYBMUJFWSA-N 356.353 2.361 0 40 FEAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1ccc2c(c1)OCO2 8941478 NUWBILTWVGLBDT-UHFFFAOYSA-N 369.421 2.294 0 40 FEAB CCOCCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 8924711 MVPLEJMYDJVCBO-UHFFFAOYSA-N 351.424 2.410 0 40 FEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 71284584 KURYWWLVUKCXSK-IRXDYDNUSA-N 373.453 2.406 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)C1 75093987 BEGIAGPAQKIKDO-CVEARBPZSA-N 361.417 2.365 0 40 FEAB NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2c([nH]c3ccccc23)C1 89916730 OAKUKHJXLJXMHI-GOSISDBHSA-N 362.433 2.332 0 40 FEAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(Cl)cc1 64871393 BZQORFGOWQBFPG-UHFFFAOYSA-N 353.769 2.336 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306124368 BNPLARKLEQLRQW-ZIAGYGMSSA-N 371.872 2.128 0 40 FEAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccn1 8231803 OUDLILPLISNDPX-IYPOZPNPSA-N 373.478 2.313 0 40 FEAB Cc1ccccc1-c1cncc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72359544 ZLQQLCPUZHAGLT-UHFFFAOYSA-N 360.483 2.438 0 40 FEAB CCCCNS(=O)(=O)c1ccc(NCCCOCC)c(C(=O)O)c1 217551573 HDDPWKHSZIGESI-UHFFFAOYSA-N 358.460 2.302 0 40 FEAB O=C(Nc1ccc([C@H](O)CN2CCN(c3ccccn3)CC2)cc1)C1CC1 36743669 GVJILHUVVPNKJF-LJQANCHMSA-N 366.465 2.286 0 40 FEAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 72360908 FAIWFFTYXYVSBR-OAHLLOKOSA-N 354.458 2.157 0 40 FEAB N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218185202 GXEMQMLSSZDCQK-XHSDSOJGSA-N 351.811 2.336 0 40 FEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCC3)s2)cc1 225483257 KZQYUXHAKFGILM-UHFFFAOYSA-N 366.468 2.320 0 40 FEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(F)c2)ccc1OC 223877045 LNPBAHFBESGTRX-UHFFFAOYSA-N 366.414 2.015 0 40 FEAB O=C(NCc1ccccn1)C(=O)Nc1ccc(Br)cc1F 42645960 XQCFTADICTWKDX-UHFFFAOYSA-N 352.163 2.238 0 40 FEAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C1(C(F)(F)F)CCC1 572882468 JHFLYTOINFEHBP-SNVBAGLBSA-N 363.357 2.070 0 40 FEAB Cc1oc(C)c(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1C(=O)O 576940553 RRXAGBUHXZVERM-GDLCADMTSA-N 357.428 2.077 0 40 FEAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)cs1 96050927 WXEWTDVKOILMHH-GOSISDBHSA-N 356.451 2.111 0 40 FEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@@H]12)Nc1cccnc1 96206618 PHVABDMWGMLSKR-BMFZPTHFSA-N 358.467 2.404 0 40 FEAB COCCC(=O)N1CCO[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 257227307 FOQYRWIYZWLMJR-MRXNPFEDSA-N 356.426 2.465 0 40 FEAB Cc1cccc2nc(C(=O)N3CCC[C@@H](Cc4nccnc4N)C3)cn12 257331080 XRHAUMCMKUMEDV-AWEZNQCLSA-N 350.426 2.110 0 40 FEAB Cc1cc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)nc(C)n1 257241053 HWKHEDFBWRIQPD-SFHVURJKSA-N 354.458 2.057 0 40 FEAB CCn1ccc(C(=O)N[C@@H](C)CCNC(=O)c2ccc3cnccc3c2)n1 1775990046 CAXVTNGACNTDCA-AWEZNQCLSA-N 365.437 2.390 0 40 FEAB CC(C)c1nsc(N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3CC3)C2)n1 1775962907 UZORHLUVAFZWBI-ZIAGYGMSSA-N 374.514 2.141 0 40 FEAB CN(C)C(=O)CC[C@@]1(O)CCCN(CCCOc2ccccc2F)C1 585278629 PKQWQKMQMQHFPY-IBGZPJMESA-N 352.450 2.290 0 40 FEAB CCc1ncc(S(=O)(=O)N2CCc3ccc(F)c(C(=O)O)c3C2)s1 585097982 FMTVISTZZSOZHS-UHFFFAOYSA-N 370.427 2.290 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCC(NCc2cccs2)CC1 584906167 BIUQZQZBIBMGIA-UHFFFAOYSA-N 355.485 2.296 0 40 FEAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2cccn2C2CCCC2)C3)o1 685941303 HVAZCQUHNRBJMY-LIRRHRJNSA-N 356.426 2.335 0 40 FEAB O=C([C@@H]1CCC(F)(F)C1)N1CCN(C[C@H](O)COc2ccccc2)CC1 684577342 YALKYKFICOGUOC-CVEARBPZSA-N 368.424 2.006 0 40 FEAB O=C(c1cscn1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007891 KOKROFDINKAUGI-UHFFFAOYSA-N 356.329 2.046 0 40 FEAB Cc1cccc(OCC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1 96374336 SITJNOXRXCWTKZ-UHFFFAOYSA-N 353.484 2.436 0 40 FEAB COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 939322 PRDYXYYFNITLSD-LLVKDONJSA-N 352.346 2.096 0 40 FEAB CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCc1ccccc1 5414252 CUULTAIYMDDXQX-OALUTQOASA-N 373.497 2.493 0 40 FEAB biogenic,in-vitro Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)Cc2ccsc2)c1C 14095265 VRWTZDFNGSWODT-UHFFFAOYSA-N 367.496 2.083 0 40 FEAB CC1CCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19496855 DKYNVAKOQJMIFI-KRWDZBQOSA-N 372.513 2.018 0 40 FEAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2ccccn2)c(=O)n1 19572362 DOSDAPPCYBXUHN-KRWDZBQOSA-N 368.462 2.417 0 40 FEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)C1CCCC1)C2 19708886 ZXFJYFBFMDJBCU-OAHLLOKOSA-N 357.502 2.402 0 40 FEAB O=C(Nc1cccn(CC(F)(F)F)c1=O)N[C@H]1c2ccccc2C[C@@H]1O 162337933 KQJBQLBZZZIDCD-KBPBESRZSA-N 367.327 2.190 0 40 FEAB C[C@H]1C(=O)N2[C@@H](C[C@@H]3CCC[C@@H]32)C(=O)N1[C@@H](CCc1ccccc1)C(=O)O 105853864 DZRWPCCIYKIPJW-HILJTLORSA-N 370.449 2.073 0 40 FEAB in-vitro C[C@H](Sc1nnnn1-c1ccc(O)cc1)c1nc2ccccc2c(=O)[nH]1 18181726 ABZVXIYXBDSHBP-JTQLQIEISA-N 366.406 2.458 0 40 FEAB C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(-n2cncn2)cc1 18158323 QVDNQBXXQUBAHJ-ZDUSSCGKSA-N 370.434 2.162 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 3522524 GHBMRIQTJPXOIF-NSHDSACASA-N 362.455 2.304 0 40 FEAB NC(=O)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1 6788751 XLUJYZHWTFPELK-UHFFFAOYSA-N 353.407 2.097 0 40 FEAB CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3ccco3)cs2)CC1 1888921852 CCKMSBOJWZIAIO-UHFFFAOYSA-N 368.480 2.296 0 40 FEAB CN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CC[C@@H]2OCC1=O 2037984260 VRIAJTHNEYFCCE-ZFWWWQNUSA-N 358.360 2.264 0 40 FEAB COC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21 4359039 CKPQYBVRIAVHEW-UHFFFAOYSA-N 368.320 2.211 0 40 FEAB COc1ccc(CNC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)cc1 5088651 LDCDJPPKYANHNA-UHFFFAOYSA-N 357.801 2.319 0 40 FEAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 9036988 XBNMSGJVUHXKJN-ZDUSSCGKSA-N 350.465 2.388 0 40 FEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12 10255977 JMQPETNVGJOPFX-QGZVFWFLSA-N 361.401 2.363 0 40 FEAB Cn1cccc1[C@H](CNS(=O)(=O)c1cc(F)ccc1F)N1CCCC1 11846857 HGAKLUPXHZKHSS-INIZCTEOSA-N 369.437 2.419 0 40 FEAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CC(C)C)ccc21 12180501 KNSPWJIQPZLRHC-UHFFFAOYSA-N 360.501 2.187 0 40 FEAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1ccc2c(ccn2C)c1 2055759409 VYYLIKGWOCMNOU-MRXNPFEDSA-N 368.437 2.065 0 40 FEAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 43980039 GUWQWFRIHNINGC-UHFFFAOYSA-N 365.282 2.395 0 40 FEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 40068835 ZNKYMOZSQWDVAB-RISCZKNCSA-N 367.243 2.097 0 40 FEAB CC(=O)N1C[C@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)Oc2ccccc21 32819032 IDUOSKUZUIWCTQ-AZUAARDMSA-N 367.449 2.220 0 40 FEAB O=C(COc1cccc(Cl)c1)NC[C@]1(N2CCOCC2)CCSC1 52845160 VOVNDKBBEFHMOJ-QGZVFWFLSA-N 370.902 2.043 0 40 FEAB O=C(NCc1ccccn1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 23017859 XSRPFVIYSSMMEG-UHFFFAOYSA-N 353.422 2.339 0 40 FEAB Cc1ccc(Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 845754 QILDYPHAOTZXQK-UHFFFAOYSA-N 367.453 2.160 0 40 FEAB CCc1c(C(=O)Nc2cccc(OC)c2)cnn1-c1ccc(OC)nn1 24483693 SBDUXQOUCYUWIC-UHFFFAOYSA-N 353.382 2.494 0 40 FEAB COCCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8558277 QHBSNPWQIMSCPQ-UHFFFAOYSA-N 362.879 2.039 0 40 FEAB CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 1907680 YKWVIQPJNXTICW-ADLMAVQZSA-N 361.394 2.184 0 40 FEAB biogenic COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4C)[C@@H]3C2=O)cc1 101417946 GGLUTAQHHQEGLD-IRXDYDNUSA-N 350.378 2.497 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)c(C)c1 58197759 XDXGODLGBQBERN-UHFFFAOYSA-N 354.472 2.075 0 40 FEAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1COc2ccccc2O1 58216222 AGYYQCGIPRGJJS-GFCCVEGCSA-N 368.418 2.478 0 40 FEAB CN(C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 45104072 BHOSONQNGKJEEN-AWEZNQCLSA-N 372.435 2.432 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1Cl 100050427 HSZNSVLYPJLCRF-XMUKKISLSA-N 351.189 2.445 0 40 FEAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 28942486 MZXYHAPBZYGEGP-UHFFFAOYSA-N 366.776 2.436 0 40 FEAB CCCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1Cl 11566091 DATDWVYVYZWLFY-UHFFFAOYSA-N 374.890 2.372 0 40 FEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1Cc2ccccc2O1 29844932 DQIWXURTHVIVDU-DOTOQJQBSA-N 358.463 2.241 0 40 FEAB C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)N1C(=O)c2ccccc2C1=O 2633045 RVVFEISEXJUCPQ-RDTXWAMCSA-N 365.433 2.090 0 40 FEAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1nc(-c2cccs2)no1 48235301 OCBKVHMAUDYGHM-UHFFFAOYSA-N 374.403 2.351 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccn1 3303547 COQMYJDJALYCPC-UHFFFAOYSA-N 357.391 2.405 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccc(F)cc1 12859107 MPQBBVNQABMGON-HXUWFJFHSA-N 367.380 2.051 0 40 FEAB COC(=O)CSc1nc2[nH]c(-c3ccc(Cl)cc3)cc(=O)n2n1 10338653 VDSXNUNALFCEDS-UHFFFAOYSA-N 350.787 2.003 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 10547268 HADLKWGJBBJWLD-UHFFFAOYSA-N 357.435 2.398 0 40 FEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1c(=O)cnc2ccccc21 12979487 IMYSKUPSFBLIHQ-UHFFFAOYSA-N 365.389 2.174 0 40 FEAB O=C(COc1ccccc1F)NCC1(N2CCOCC2)CCCCC1 12909884 AGQGQSCBRXBESA-UHFFFAOYSA-N 350.434 2.356 0 40 FEAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(C)cc2)cc1 20459393 HTMKMKPMRZRQQX-UHFFFAOYSA-N 363.435 2.280 0 40 FEAB Cn1cc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccs2)cn1 306138073 ROLAFCQEWRKGBT-MSOLQXFVSA-N 367.478 2.365 0 40 FEAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9306565 FICMMKXKPZKBMU-LLVKDONJSA-N 369.443 2.322 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 39998373 JBBLSOBMMLUMKX-ZDUSSCGKSA-N 352.481 2.132 0 40 FEAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCC(C)C)C3)cc1OC 9317395 HEAUXOUYRRATBF-KRWDZBQOSA-N 359.426 2.200 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 21871926 LUMKJOWRBZJZOT-QLFBSQMISA-N 368.499 2.259 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 14137078 SHVUEUFNKYGBHL-QGZVFWFLSA-N 351.406 2.405 0 40 FEAB CC1=NN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@@](C)(O)C1 4700102 QHGVBSVAFXSYFD-NQIIRXRSSA-N 365.433 2.344 0 40 FEAB O=C(Cc1ccccc1)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 19819762 BZQLHGVFVXBYTD-GOSISDBHSA-N 368.433 2.148 0 40 FEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(O)c1 7396534 TWMWNQLJEOSFKK-JTQLQIEISA-N 359.334 2.314 0 40 FEAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)no1 22798897 UOIQBPBYWGYYRE-UHFFFAOYSA-N 350.369 2.018 0 40 FEAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(O)cc2)n1 8485981 YJQPLEKXDFSOHO-UHFFFAOYSA-N 367.365 2.269 0 40 FEAB CSc1nc(C)c(CCC(=O)Nc2cccc(NC(C)=O)c2)c(=O)[nH]1 8986827 PIXYDXHADIJWGS-UHFFFAOYSA-N 360.439 2.330 0 40 FEAB CC1CCN(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 8953745 LEYIPHXRDXNTPG-CQSZACIVSA-N 371.437 2.046 0 40 FEAB COc1ccc(C(=O)Nc2cc(O)nc3nc(C(F)(F)F)nn23)cc1 9088025 WRTNACCWHUTORK-UHFFFAOYSA-N 353.260 2.110 0 40 FEAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1cccc2ccccc12 21559343 YCFVSHFYKUJULK-OAHLLOKOSA-N 354.406 2.444 0 40 FEAB COCCOc1ccccc1CNC(=O)[C@H](C)NC(=O)CC(C)(C)C 509538723 DZDCGZPDACEKOC-AWEZNQCLSA-N 350.459 2.269 0 40 FEAB CN(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219427465 KECXVFJDDPJNKB-UHFFFAOYSA-N 372.446 2.270 0 40 FEAB O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1 34781228 FWXRYDHZTLMKQN-UHFFFAOYSA-N 362.295 2.318 0 40 FEAB C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 44388900 ZXJHYWDRXMJZHE-KDOFPFPSSA-N 364.511 2.414 0 40 FEAB CCS(=O)(=O)N(C)C1CCN([C@H](C(=O)O)c2cccc(Cl)c2)CC1 565105411 YTQJVFOWBJBVBT-HNNXBMFYSA-N 374.890 2.212 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCCCCC1 225697535 CDJNTPCTTZWTIQ-UHFFFAOYSA-N 368.499 2.281 0 40 FEAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccc(F)cc1 96062017 CDBYAIHUTRKULS-INIZCTEOSA-N 357.477 2.346 0 40 FEAB O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCSCC1 97087570 VHLKZAAXVLPBPJ-CQSZACIVSA-N 364.858 2.392 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)cc1 257304890 SNNXKXBIFFKHNH-IBGZPJMESA-N 355.438 2.405 0 40 FEAB Cn1ccnc1CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 257264884 LWJIGNOXWFQYKB-UHFFFAOYSA-N 364.457 2.198 0 40 FEAB Cn1cc(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)c2ccccc21 257232317 GKISAAXUOAEILC-OAHLLOKOSA-N 350.422 2.300 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 260828344 OFJUUIKRNMYFSN-INIZCTEOSA-N 350.484 2.327 0 40 FEAB COc1nc(C)cc(C)c1CNC(=O)N1CCc2c(cccc2C(N)=O)C1 660550221 GHMLMSKXULSDOF-UHFFFAOYSA-N 368.437 2.074 0 40 FEAB Cc1nc2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cn2n1 665476260 QDGCYPJHXBVXIU-UHFFFAOYSA-N 351.410 2.122 0 40 FEAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292957 USWAYDIGTZXISB-IQIBNGDESA-N 366.469 2.357 0 40 FEAB Nc1cc(-c2cccs2)nn(CC(=O)NCc2ccc(F)cc2)c1=O 12146729 UWPXHDGNZUSIPN-UHFFFAOYSA-N 358.398 2.010 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 12600695 RQFYIRZAMWZYSL-GHMZBOCLSA-N 366.320 2.122 0 40 FEAB CCn1cc([C@H](O)CN2CCN(c3cnccn3)CC2)c2ccccc21 19524778 MBLVZEWLGYXLIY-LJQANCHMSA-N 351.454 2.307 0 40 FEAB CC1CCN([C@@H](CNC(=O)c2cccn3nnnc23)c2ccccc2)CC1 19654941 OUQCTZGZNZDLJL-SFHVURJKSA-N 364.453 2.327 0 40 FEAB O=C([C@H]1CN(c2nc3ccc(Cl)cc3s2)CCO1)N1CCOCC1 1889139076 RVQBEXWUAKYBKY-CYBMUJFWSA-N 367.858 2.014 0 40 FEAB Cc1cc(C)n(-c2cc(N3CCN(Cc4cccnc4)CC3)nc(C)n2)n1 1889139864 QIRVESJPLAGCHE-UHFFFAOYSA-N 363.469 2.305 0 40 FEAB COc1cccc(CC(=O)N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)c1 1889149119 POYOKKZZSSFFCS-QGZVFWFLSA-N 354.454 2.464 0 40 FEAB CC(C)(C)NC(=O)CN1CCN(CCSc2ccc(F)cc2)CC1 23249204 RZADZKXAWVTNAI-UHFFFAOYSA-N 353.507 2.450 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1ccc2c(c1)OCCO2 24652760 HCCNOGMSAKXYPZ-OAHLLOKOSA-N 355.390 2.299 0 40 FEAB O=C(COc1ccccc1F)NCc1nc(-c2cc(C3CC3)on2)no1 238846413 IKUUGBULSYPIHJ-UHFFFAOYSA-N 358.329 2.436 0 40 FEAB CCn1cc(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c(C)n1 2037984163 RYAGMAFUYHQEKL-OAQYLSRUSA-N 368.481 2.467 0 40 FEAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)C2(F)CC2)CC12CCOCC2 1614929641 PZAYMCXTFAKGHE-AWEZNQCLSA-N 366.458 2.122 0 40 FEAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2csc(C)n2)n1 2055754568 BJGZEWTZPJGYME-HOTGVXAUSA-N 356.451 2.171 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 32764714 QYHVZWBQSXQMQA-UHFFFAOYSA-N 368.433 2.231 0 40 FEAB Cc1ccc(Cc2cnc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@H]43)s2)cc1 32912811 KSOCASJNPBWLMD-UKRRQHHQSA-N 362.476 2.192 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCCc1ccc(F)cc1 41624487 BKILBIOFQJOBOM-SZMVWBNQSA-N 362.445 2.291 0 40 FEAB CC[C@H](CO)n1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 12418841 SWFAZLYUACCDHW-CYBMUJFWSA-N 361.829 2.303 0 40 FEAB COC(=O)CCCCCCCNC(=O)CN(C)C(=O)c1cccs1 79107081 HXVMGZLAMVJUNN-UHFFFAOYSA-N 354.472 2.450 0 40 FEAB CC(C)n1nc(CC(=O)NCCc2ccccn2)c2ccccc2c1=O 79501336 YRTNGICHBNJXGI-UHFFFAOYSA-N 350.422 2.274 0 40 FEAB CCOC(=O)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4009320 QTPCEIAGSRUKHC-CYBMUJFWSA-N 364.707 2.090 0 40 FEAB COC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 57126942 JNDFXSOBKDLXOD-UHFFFAOYSA-N 355.373 2.320 0 40 FEAB O=C(Cc1coc2cc(O)ccc12)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7986168 MBJYAKXDCNECIG-UHFFFAOYSA-N 366.329 2.277 0 40 FEAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2sccc21)c1cccc(Cl)c1 57426481 HCICUKRIUQCQHQ-UHFFFAOYSA-N 363.826 2.078 0 40 FEAB C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58165420 KMVFQXCTJDALDX-LLVKDONJSA-N 367.858 2.104 0 40 FEAB COc1ccc(OC)c(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 8346226 DKIWBRKHRLPPLF-UHFFFAOYSA-N 360.391 2.439 0 40 FEAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12567577 VVITWZWPHSNFCY-HNNXBMFYSA-N 373.453 2.397 0 40 FEAB c1cnnc(N2CCC[C@H](NCc3ccccc3N3CCOCC3)C2)c1 109070709 KHFYVWQTVBXMDX-SFHVURJKSA-N 353.470 2.072 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 47978008 UICSUXWWHGAWRM-GFCCVEGCSA-N 359.817 2.084 0 40 FEAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCC(=O)N1CCOCC1 58184805 FHMGKUFOSMMDPF-INIZCTEOSA-N 359.470 2.280 0 40 FEAB Cc1cc2n(C[C@@H](O)CN3CCC(C)CC3)c(=O)c3ccccc3n2n1 58161263 BPAMSCFXHZBTGA-INIZCTEOSA-N 354.454 2.050 0 40 FEAB O=C(CCn1cnc2ccccc2c1=O)NCCc1cc(F)cc(F)c1 58195327 MPNMDDYMZQYWMC-UHFFFAOYSA-N 357.360 2.424 0 40 FEAB COc1ccc(NC(=O)Cn2cc(NC(=O)Nc3cc(C)on3)cn2)cc1 58218419 AFKXZXJIRZMQJT-UHFFFAOYSA-N 370.369 2.471 0 40 FEAB C[C@H](CN1CCOCC1)NC(=O)c1ccccc1NC(=O)c1ccsc1 58226385 FPZPKZUFLRBACM-CQSZACIVSA-N 373.478 2.451 0 40 FEAB Cc1cc(O[C@@H](C)C(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2114931 NHZGUYBRDIZASZ-LBPRGKRZSA-N 373.405 2.338 0 40 FEAB biogenic COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCc2ccc(F)cc21 58496551 PDRYPYODFGVBCW-UHFFFAOYSA-N 365.382 2.213 0 40 FEAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCC[C@H]1CCO 2284117 YDMKISQFASJMLX-ZDUSSCGKSA-N 359.426 2.130 0 40 FEAB O=C1CN(C(=O)CSc2nnc(-c3ccco3)o2)c2ccccc2N1 3295316 XRCIYQZSAMFVFF-UHFFFAOYSA-N 356.363 2.407 0 40 FEAB C[C@@H]1CCCN(CCNC(=O)NCCNC(=O)c2ccccc2Cl)C1 45570404 AAZSZLKEVRBHLT-CQSZACIVSA-N 366.893 2.101 0 40 FEAB COCCn1cc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cn1 59256982 YBIWRZKEEJSEAX-UHFFFAOYSA-N 367.409 2.153 0 40 FEAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 24960994 CEGQAQXDTVSNRV-RNODOKPDSA-N 357.454 2.247 0 40 FEAB CN(Cc1ccccc1F)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 57705264 VIXONLPYOYAENW-UHFFFAOYSA-N 355.369 2.150 0 40 FEAB C[C@H](NC(=O)c1c(Br)c(C(F)(F)F)nn1C)[C@H]1CCCO1 2778597 LZNFDTKKZQEAQH-NKWVEPMBSA-N 370.169 2.499 0 40 FEAB C[C@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 37553564 OMDQZMLDERXUOG-ZFWWWQNUSA-N 367.467 2.317 0 40 FEAB Cn1ccnc1[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 12604267 ZYTCPGSVXKCMEY-ZWKOTPCHSA-N 361.401 2.407 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CCCCC3)C1=O 48273522 YPFLIEIUKCQUKI-KRWDZBQOSA-N 362.455 2.071 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC1CCCCC1 3329568 LOCPGMLCAVSKAB-KRWDZBQOSA-N 368.437 2.080 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccnc1-n1cncn1 48356407 VMIUNLXIQUCCTP-UHFFFAOYSA-N 373.420 2.395 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(NC(=O)c2cccnc2)CC1 48353920 NECBSNJOOYMOLM-AWEZNQCLSA-N 371.412 2.409 0 40 FEAB Cc1csc(NC(=O)CCC2=NS(=O)(=O)c3ccccc3N2)n1 67349746 XIOFANFWTRBXIT-UHFFFAOYSA-N 350.425 2.383 0 40 FEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 9348310 NURONNBLMWNLSK-UHFFFAOYSA-N 363.295 2.347 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccccc2-n2cnnn2)c(C)n1C1CC1 9315170 MZCHEPCKJGDDQT-UHFFFAOYSA-N 365.393 2.455 0 40 FEAB COC(=O)c1c(NC(=O)CSc2nnc(C)c(O)n2)sc(C)c1C 13637980 RQCACULQNOAZMW-UHFFFAOYSA-N 368.440 2.081 0 40 FEAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 5000129 ABNQBGBOUYTBGS-UHFFFAOYSA-N 361.760 2.131 0 40 FEAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 13723378 WWDQMLFFFTXBKU-AWEZNQCLSA-N 363.377 2.476 0 40 FEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(SCC)s2)n1 5154769 NPVGLNHBZGLGED-UHFFFAOYSA-N 371.513 2.417 0 40 FEAB CCOC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 4339215 NDJZFHOVNXEJSL-DZGCQCFKSA-N 368.455 2.045 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(CCc2ccccc2)CC1 14023216 SCYXHHAWCHFHID-UHFFFAOYSA-N 369.465 2.176 0 40 FEAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)NCc2cccnc2)C1 65589156 MYICGRPMYPBNJE-INIZCTEOSA-N 357.389 2.326 0 40 FEAB NC(=O)[C@@H](CNC(=O)c1c(Cl)nc2ccccn12)Cc1ccc(F)cc1 66456512 QBANPEMKEHNRAW-GFCCVEGCSA-N 374.803 2.201 0 40 FEAB CCn1nnc2cc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)ccc21 6941682 QCPUBLUBEZBVQE-SFHVURJKSA-N 367.453 2.493 0 40 FEAB COc1ccc(-c2noc(CSc3nnc(Cn4cncn4)o3)n2)cc1 83952360 ASLACIWKPYYAKE-UHFFFAOYSA-N 371.382 2.060 0 40 FEAB Cn1cc([C@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)cn1 97012616 TYTXZOYQNYEEKT-YXMGTMDOSA-N 367.858 2.448 0 40 FEAB COc1ccc(Cn2c(SCCC(N)=O)nc3ccccc3c2=O)cc1 8734158 MLGUEMYRALVDNC-UHFFFAOYSA-N 369.446 2.421 0 40 FEAB COc1ccc2c(C)c(CC(=O)N3CCc4[nH]cnc4C3)c(=O)oc2c1C 8765468 MKEJTZHAXSMBBO-UHFFFAOYSA-N 367.405 2.269 0 40 FEAB biogenic COC(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccn2C)c1 8924878 ZDMACPMOJPSDMJ-UHFFFAOYSA-N 350.758 2.261 0 40 FEAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cnc2sccn2c1=O 8993911 BIYOQBXDGBXPSX-UHFFFAOYSA-N 368.418 2.035 0 40 FEAB Cc1nc(C)c(CNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)s1 72297308 FQZDSQLBPVRKOC-UHFFFAOYSA-N 364.471 2.021 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1noc(-c2ccco2)n1 23946418 CSNYDQPKSHIOTL-UHFFFAOYSA-N 362.363 2.399 0 40 FEAB CCCn1c(NCCCn2nc(C)cc2C)nc2c(C)nn(C)c2c1=O 32653000 SAGAZQWYCWVPCM-UHFFFAOYSA-N 357.462 2.164 0 40 FEAB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@H]23)C[C@@H](C)O1 36369528 AGRFRTKLCPEWTJ-VERVRKFVSA-N 363.498 2.381 0 40 FEAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408550460 CKKJVTCWYRXWNB-NSHDSACASA-N 362.879 2.322 0 40 FEAB CCOCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2CC 71195938 VMVIOVAROBMEOP-UHFFFAOYSA-N 368.499 2.344 0 40 FEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NC(C)C)NC2=O 72339205 FLWPITKDAWGKND-CJOHGPIESA-N 358.438 2.475 0 40 FEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ncc2c(F)cccn12 528334463 CERIMNMTFFFLOQ-INIZCTEOSA-N 366.396 2.093 0 40 FEAB COc1ccn2c(C(=O)N3CCO[C@@H](c4nnc(C(C)C)o4)C3)cnc2c1 570795425 ZXTRGWBNBBNLLS-CQSZACIVSA-N 371.397 2.063 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 223291022 HXPKQKNZIYWUMV-FMIVXFBMSA-N 374.418 2.033 0 40 FEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1 225467776 RVWNVNICSWRJKY-KYJSFNMBSA-N 362.495 2.392 0 40 FEAB O=C(NCc1nccc(C(F)(F)F)n1)N[C@H]1COc2ccc(F)cc2C1 577362053 BQOBSAYWZNJURT-LLVKDONJSA-N 370.306 2.437 0 40 FEAB CO[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96110995 VVVZPNFHBCOFQW-QXAKKESOSA-N 355.438 2.345 0 40 FEAB CCOCCCNC(=O)c1nc2c(s1)CCCN2c1ccc(C)nn1 96037471 XPOWWFNRXJFLLV-UHFFFAOYSA-N 361.471 2.482 0 40 FEAB COCCN1CCC(c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)CC1 257297106 RFWLHYPGOWAUDE-UHFFFAOYSA-N 356.426 2.371 0 40 FEAB C[C@@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1Oc1ccccc1 257329956 XMEUMKBUHZQDFJ-YLJYHZDGSA-N 353.422 2.399 0 40 FEAB CNc1cccc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)n1 257333437 YBNKQMOECZXMAY-HNNXBMFYSA-N 351.403 2.025 0 40 FEAB CN1C(=O)C2(CCN(C(=O)c3cnco3)CC2)C[C@H]1Cc1ccccc1 257337879 YUWCJCOJHYFSIW-MRXNPFEDSA-N 353.422 2.370 0 40 FEAB O=C(c1ccco1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 85472245 DPJASPMFMBNJNP-UHFFFAOYSA-N 350.382 2.171 0 40 FEAB Cc1cnn(C[C@@H]2CN(C(=O)c3cccc([C@H]4CCOC4)c3)CCO2)c1 270678164 RLFXHIASPGUARJ-OALUTQOASA-N 355.438 2.237 0 40 FEAB COC(=O)CCc1nnc(NC(=O)NCCc2c[nH]c3ccccc23)s1 609931707 KDXOWDIBASVEIM-UHFFFAOYSA-N 373.438 2.489 0 40 FEAB C[C@H](NC(=O)NC[C@H]1CCCCN(C)C1)c1ncc(Br)cn1 624111732 CTRBBQKMDUPQJW-NWDGAFQWSA-N 370.295 2.331 0 40 FEAB O=C(NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CSCN1 638535025 ZXTNACQWGXBADE-QZTJIDSGSA-N 367.474 2.162 0 40 FEAB Cn1nc(-c2ccccc2)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 649140809 YEKDRPVOXXODKC-KRWDZBQOSA-N 354.454 2.070 0 40 FEAB O=C(NCC(F)(F)c1ccc(F)cc1)N[C@H]1C[C@H]2CCCCN2C1=O 661302287 RFVUGXJYJCTQDF-KGLIPLIRSA-N 355.360 2.370 0 40 FEAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN([C@H]2CCNC2)CC1 97819471 ILNSJXAWWRZPJH-KRWDZBQOSA-N 367.453 2.385 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC(C)C)C[C@@H]23)cc1 585106073 IXTXHPLEHLEJCL-MOPGFXCFSA-N 369.509 2.304 0 40 FEAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 585111935 DUMQLFYZZYCCFF-SFHVURJKSA-N 362.499 2.078 0 40 FEAB Cc1nnc2ccc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nn12 1775995178 GPCLZFPFVXPGJZ-UHFFFAOYSA-N 367.457 2.128 0 40 FEAB Cc1ncsc1C(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007873 ISGWLQKSFAIYFD-UHFFFAOYSA-N 370.356 2.354 0 40 FEAB C[C@@H](NC(=O)CN1CC[C@H](C(=O)O)C1)c1ccc(Br)cc1 62133670 NWXISDRLFRSVEF-PWSUYJOCSA-N 355.232 2.033 0 40 FEAB CO[C@@H](CS(=O)(=O)Nc1ccc(-c2coc(C)n2)cc1)[C@@H]1CCOC1 656615783 GIRZHJFHYNBWHS-PBHICJAKSA-N 366.439 2.443 0 40 FEAB COC(=O)c1ccc(NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 11125884 FBQKANSGFMVSEZ-UHFFFAOYSA-N 371.393 2.491 0 40 FEAB Cc1sc2nc(C)n(C3CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C 12145424 OWNXTRLUBXBSCG-UHFFFAOYSA-N 362.499 2.108 0 40 FEAB Cc1noc(C)c1-c1nc(N2CC[C@H](O)[C@@H](C)C2)ncc1-c1cnccn1 12155871 VXRLHJMDNYOEKT-ZBEGNZNMSA-N 366.425 2.413 0 40 FEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cnn(CC)c3C)cc2n1 12276539 PHLDEJRFTITKCM-INIZCTEOSA-N 368.441 2.499 0 40 FEAB CNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccc(OC)cc3)on2)s1 12417210 ZLTSIZYEMDCHFU-UHFFFAOYSA-N 373.394 2.200 0 40 FEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 19496300 MIYVRUUOVMHLMG-PBHICJAKSA-N 355.438 2.039 0 40 FEAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)Cc3ccccn3)cc2C[C@@H]1C 19497821 UIXLAXDBKOCIHC-KGLIPLIRSA-N 373.478 2.289 0 40 FEAB CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1 19501845 GQDCJKWYQHJARC-AWEZNQCLSA-N 360.462 2.320 0 40 FEAB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 2556578 GOCNEQGFDAXBQE-LBPRGKRZSA-N 368.389 2.114 0 40 FEAB in-vitro CCN1C(=O)CC[C@H](C(=O)N(C)Cc2ccoc2C)[C@H]1c1nccn1C 667076941 DXHLFXIRKGEBFH-RDJZCZTQSA-N 358.442 2.280 0 40 FEAB Cc1cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)ccc1Br 3866992 UAYDUMRPXRFPRC-UHFFFAOYSA-N 369.244 2.154 0 40 FEAB O=C(Nc1ccc(Br)cc1)c1cnc2n(c1=O)CCS2 2455851 VLTKUYCEJPEDJQ-UHFFFAOYSA-N 352.213 2.364 0 40 FEAB COc1cccc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)c1 7422611 IPAZYCASIUPISG-UHFFFAOYSA-N 365.393 2.014 0 40 FEAB O=C(NCc1ccc(Cl)cc1)NCc1nnnn1-c1ccc(F)cc1 9616656 PCJLALUOUKKEQL-UHFFFAOYSA-N 360.780 2.454 0 40 FEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccc3c(c2)OCO3)C1 2055750959 RLBUXENLXBQATG-FQEVSTJZSA-N 371.412 2.357 0 40 FEAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cc(C3CC3)on1)C2 2055773129 ZSPTVVOMRFCZDI-HNNXBMFYSA-N 356.426 2.452 0 40 FEAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CC1=CCCCC1)C2 2055812533 RIHZHSSDPORPJP-OAQYLSRUSA-N 368.481 2.222 0 40 FEAB Cc1nnc2ccc(N3CCCN(c4nc5ccc(F)cc5o4)CC3)nn12 1775972700 ROFFVMNJQDUXJU-UHFFFAOYSA-N 367.388 2.430 0 40 FEAB Cc1ccnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298047601 JZUSMZQTHLLLNV-UHFFFAOYSA-N 354.458 2.491 0 40 FEAB Cn1ccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1=O 40074495 BJHKVILDAVFLSH-UHFFFAOYSA-N 351.362 2.161 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1 31240947 IHJKTIHFRGQZEI-MRXNPFEDSA-N 352.390 2.383 0 40 FEAB CN(C)S(=O)(=O)c1ccc(SCCC(=O)NC2CCCCC2)nc1 32871173 LJMZMUBTMZJYNI-UHFFFAOYSA-N 371.528 2.263 0 40 FEAB Cc1noc(C)c1CSCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 21604580 DTBVIGWBZDQDRB-NSHDSACASA-N 371.459 2.081 0 40 FEAB C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc21 33055981 QEXGFHBMDDBWER-AWEZNQCLSA-N 358.463 2.271 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 22514294 ULISOTFHTUVJSP-UHFFFAOYSA-N 361.423 2.148 0 40 FEAB COC(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 23994663 YABJNRQEHHHVKM-IBGZPJMESA-N 368.433 2.277 0 40 FEAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCCCC2)nc1 24014466 XKTJSJYCIMDRRR-UHFFFAOYSA-N 366.421 2.436 0 40 FEAB CCn1c(C)cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1C 25069465 MGJNTUIFTYEMSL-UHFFFAOYSA-N 363.483 2.305 0 40 FEAB COc1cccc(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)c1 1428159 JOSGQRNXXVUBTD-UHFFFAOYSA-N 353.334 2.404 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cn[nH]c3ncn2n1 6412857 ZDQQCIVKQFMOAT-SSDOTTSWSA-N 350.308 2.328 0 40 FEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(F)cc1 7295853 QOCXYKUXYLMNGT-LBPRGKRZSA-N 374.343 2.500 0 40 FEAB CCCC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 35308091 GURPZXUGZBDBRI-UHFFFAOYSA-N 373.375 2.468 0 40 FEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](c1ccc(F)cc1)C1CC1 108457201 VQXCOUROKWWXJG-YFYRFGBOSA-N 368.408 2.200 0 40 FEAB Cc1nc(NC2=NC(=O)C[C@@H](C(=O)c3ccccc3)N2)nc2ccccc12 8570143 QDBXQJZWNJENPJ-INIZCTEOSA-N 359.389 2.478 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCc2ccccc2)CC1 26911520 BGANTGCEKOYESG-UHFFFAOYSA-N 361.486 2.288 0 40 FEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccn(Cc2ccccn2)n1 58203062 PMMBEAQOENGWLY-UHFFFAOYSA-N 362.455 2.012 0 40 FEAB O=c1[nH]nc(SCc2nc(-c3ccsc3)no2)n1C[C@H]1CCCO1 58226242 IMNZELGRQHFXMC-SNVBAGLBSA-N 365.440 2.154 0 40 FEAB C[C@@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12553495 UGWVGDNNOSEVGD-CQSZACIVSA-N 368.437 2.061 0 40 FEAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 3279197 BPCJYZHFJNLRHZ-UHFFFAOYSA-N 372.856 2.204 0 40 FEAB Cc1cccc(OC[C@@]2(CNCc3ccc(F)cc3)C[C@H](O)[C@H](O)C2)n1 107430350 QATHUZXZDXKAMM-OPVJXMOQSA-N 360.429 2.200 0 40 FEAB biogenic,in-vitro CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 2620877 HZRJEVPRVYDMFP-MRVPVSSYSA-N 353.835 2.294 0 40 FEAB CC[C@H](C)[C@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)OC 12764439 FGGYQYREDIJGNG-JQWIXIFHSA-N 374.532 2.402 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)noc2N)c1C 12739495 MAAONIGWHAGJBV-SNVBAGLBSA-N 363.370 2.115 0 40 FEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccsc1 12853573 PCQJECDUGRMLNZ-UHFFFAOYSA-N 352.437 2.450 0 40 FEAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NCc1ccco1 5089268 FLMLUZOUEVXISD-AWEZNQCLSA-N 370.405 2.264 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 5262654 RJRNHEWBDVJMSD-UHFFFAOYSA-N 371.216 2.047 0 40 FEAB COc1cc(-c2nnc(COC(=O)c3cccn3C)o2)cc(OC)c1OC 4564217 BBRRBRAJGUCCOR-UHFFFAOYSA-N 373.365 2.458 0 40 FEAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-n2cnnn2)cc1 6997678 RFVGVKLEUQCKFK-UHFFFAOYSA-N 370.800 2.074 0 40 FEAB O=C(Nc1ccccc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897560 GFAVAIQBRGYLKK-MSOLQXFVSA-N 369.396 2.469 0 40 FEAB biogenic,in-vitro C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 7744444 YDLCZQPBLHDLQT-IUCAKERBSA-N 351.852 2.263 0 40 FEAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 8036434 GJMQPDKDGGFSCH-SFHVURJKSA-N 372.446 2.007 0 40 FEAB Cc1cc(C(=O)NCCc2nnc3n2CCC3)c(C)n1CC(F)(F)F 69370057 JLVYTBDWYSYAFO-UHFFFAOYSA-N 355.364 2.177 0 40 FEAB O=C(Cn1ncn2nccc2c1=O)O[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 70866052 DRLFPFLVNLNPAK-ZBFHGGJFSA-N 372.812 2.424 0 40 FEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 71284583 KURYWWLVUKCXSK-IAGOWNOFSA-N 373.453 2.406 0 40 FEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCCC1 408608423 PMZPOUXMXOEHMS-LLVKDONJSA-N 374.890 2.464 0 40 FEAB Cc1nn(C(=O)c2cccs2)c(C)c1S(=O)(=O)N1CCCCC1 20604577 PITNCTLNRDFGAB-UHFFFAOYSA-N 353.469 2.425 0 40 FEAB Cc1cc(C)cc(-c2cc(=NC(=O)N=c3nc4n([nH]3)CCCC4)[nH][nH]2)c1 520988732 SNZFGAQMECCTKA-UHFFFAOYSA-N 351.414 2.109 0 40 FEAB CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985552 TZFVIZNELISNLQ-UHFFFAOYSA-N 364.442 2.195 0 40 FEAB O=C(Nc1nccs1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71286976 JORKPAQFKBEWDB-UHFFFAOYSA-N 369.362 2.136 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2cccs2)cc1 40161003 AMHCIYZUMNKTAK-VXGBXAGGSA-N 368.480 2.301 0 40 FEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224814718 BDWLOGLJFXNASK-UHFFFAOYSA-N 365.407 2.316 0 40 FEAB CCOc1ccccc1N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 22095909 LGVMCEFJKFNEJN-UHFFFAOYSA-N 371.481 2.484 0 40 FEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cc1OC)C2 96039291 HKZJXSSTOLBPSG-IEBWSBKVSA-N 351.418 2.421 0 40 FEAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 248118125 MFGREFXBVQGPRC-PXNSSMCTSA-N 357.454 2.120 0 40 FEAB COc1cccc(C(=O)N2CCC(C(=O)NCc3ccncc3)CC2)c1 242444484 BNGBTVKNLFDVBU-UHFFFAOYSA-N 353.422 2.259 0 40 FEAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1CC=CCC1)C2 247952050 CFHWUVVSACMQLE-WSTZPKSXSA-N 350.503 2.319 0 40 FEAB Cc1cc(C)nc([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257216493 CUSLXGNCIVXEDY-HNNXBMFYSA-N 350.426 2.244 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257344741 ZYMPZCHPLNDYFQ-LJQANCHMSA-N 352.438 2.286 0 40 FEAB O=C(NCCn1ccc2ccoc2c1=O)c1ccc(Br)o1 253398718 HJACJXLVFULPEO-UHFFFAOYSA-N 351.156 2.380 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc12 671169954 BPUSCELUELYYGQ-AWEZNQCLSA-N 370.434 2.176 0 40 FEAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 575404165 QDFXADGHXGQCDG-OAHLLOKOSA-N 360.483 2.233 0 40 FEAB O=C(CSCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 11027514 BLIMZYVYYSHSKS-UHFFFAOYSA-N 357.414 2.351 0 40 FEAB NC(=O)CN1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 14140968 RBNZYMKAVWPPIC-UHFFFAOYSA-N 371.412 2.298 0 40 FEAB O=C(C1CCCCC1)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 19345020 WYSVKAPELDXLFG-CQSZACIVSA-N 361.471 2.062 0 40 FEAB CCCc1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)no1 19525294 HAHLIGUPMFOEKZ-UHFFFAOYSA-N 369.469 2.425 0 40 FEAB CCCc1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)no1 19525296 RIMKDOHGJZRXRU-UHFFFAOYSA-N 355.442 2.083 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCNC[C@@H]1c1ccncc1 563880197 PDNDIZBRSBOUMN-MRXNPFEDSA-N 373.840 2.222 0 40 FEAB CCN=c1nc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc[nH]1 1888854074 KZVWYPOSAAHKRB-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cn1nccn1)c1ccccc1 253472861 QDELYJKOCNJEOU-INIZCTEOSA-N 360.414 2.445 0 40 FEAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541916 QPWMGJKCHWXUKK-DNVCBOLYSA-N 356.447 2.215 0 40 FEAB CC1CCC(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)CC1 1565544063 CQZBCADHBDEDBT-LMNGEROHSA-N 372.469 2.247 0 40 FEAB O=C1NCCOc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 8961852 KCEUDBQGBKFZDF-UHFFFAOYSA-N 366.826 2.404 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055747843 YDJINVQIUZOPNI-GVKUHWBJSA-N 355.463 2.268 0 40 FEAB Cc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cn1 2055719490 SGNKMSJBHSGJDN-UHFFFAOYSA-N 369.469 2.156 0 40 FEAB O=C(CN1CCC(Oc2ccn3nccc3n2)CC1)Nc1ccccc1F 2298135503 BLHZMNHHKZOIGB-UHFFFAOYSA-N 369.400 2.350 0 40 FEAB O=C(O)CN1C(=O)c2cccc3c(I)ccc1c23 944732 XEZVENLDAXUPRJ-UHFFFAOYSA-N 353.115 2.489 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 138039276 IICLSTHDBURUGS-JJXSEGSLSA-N 369.396 2.155 0 40 FEAB O=C1C[C@H](C(=O)N(Cc2cccnc2)C2CC2)CN1Cc1ccccn1 40087924 IXBJGIADYJZEHJ-INIZCTEOSA-N 350.422 2.016 0 40 FEAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 40068838 ZNKYMOZSQWDVAB-SMDDNHRTSA-N 367.243 2.097 0 40 FEAB O=S(=O)(c1ccc(CN(C[C@H]2CCOC2)C2CC2)o1)N1CCCC1 40120007 PNAIJEIBBRUYTN-CQSZACIVSA-N 354.472 2.065 0 40 FEAB CCn1nnc2cc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)ccc21 21052026 LOGAUXFGPCDKQZ-KBPBESRZSA-N 359.474 2.069 0 40 FEAB NC(=O)c1c(N/C=C2/C(=O)NC(=O)c3ccccc32)sc2c1CCC2 102114518 XXITVKMASNAMIT-XYOKQWHBSA-N 353.403 2.059 0 40 FEAB COc1ccc([C@@H](NC(=O)CCN2C(=O)CCC2=O)c2ccccc2)cc1 32768836 VSOVBEWVYNYEFR-NRFANRHFSA-N 366.417 2.440 0 40 FEAB CN(C)C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 52555298 NBFBHFAZRKYZHV-QGZVFWFLSA-N 361.467 2.091 0 40 FEAB CNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2F)cc1Br 32933252 PLPYSOTXNHFSQE-MRVPVSSYSA-N 370.178 2.065 0 40 FEAB CCOC(=O)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1 53323923 HTHDRJIMFDKLDR-UHFFFAOYSA-N 365.480 2.339 0 40 FEAB CNC(=O)c1nn(CN(C)[C@H]2CCc3ccccc32)c(=O)c2ccccc12 22758660 PYHDLCBXMDMOKQ-SFHVURJKSA-N 362.433 2.333 0 40 FEAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nnc(C(C)C)s1 84521673 JKQDJLNTEOWFAW-UHFFFAOYSA-N 358.445 2.066 0 40 FEAB COC(=O)c1cc(NCC(=O)NC(=O)NCc2ccccc2)ccc1F 23903009 NUHGNIYNQAFNOA-UHFFFAOYSA-N 359.357 2.050 0 40 FEAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 47694699 NPOLSDQSRDYOPK-VIFPVBQESA-N 366.830 2.388 0 40 FEAB CCO[C@H]1CCC[C@@H](n2cnc3c(I)ncnc32)O1 1677269 XQWOMJKBDAYVKF-DTWKUNHWSA-N 374.182 2.493 0 40 FEAB Cn1c(C(=O)NCc2ccccc2NS(C)(=O)=O)cc2ccccc21 55367703 VJTXOBUVQOIFKK-UHFFFAOYSA-N 357.435 2.480 0 40 FEAB CCc1sc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C 3325828 FPHAQGODLRMDEA-UHFFFAOYSA-N 352.481 2.239 0 40 FEAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@H]2[C@H](OC(C)=O)[C@@H]1NC(C)=O 4531054 SBCLCISXUZOHRT-MILMJNAHSA-N 361.438 2.378 0 40 FEAB Cn1c(=O)oc2cc(S(=O)(=O)NCC[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 107337544 XHAONNRYCIFTSN-RWMBFGLXSA-N 350.440 2.236 0 40 FEAB CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc1C 6881541 DFXHSJMTXMSTIR-UHFFFAOYSA-N 367.452 2.157 0 40 FEAB CC(C)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 26233651 AHQRCMJGYIJJDK-OAHLLOKOSA-N 360.907 2.365 0 40 FEAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 7915489 PCBJEPCIDFFIDZ-UHFFFAOYSA-N 355.369 2.321 0 40 FEAB COc1ncccc1CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 26384246 ZOMSBLMJOBTQHV-UHFFFAOYSA-N 356.426 2.453 0 40 FEAB CN(C)CCn1c(=O)oc2ccc(NC(=O)CCc3ccccc3O)cc21 58192498 GMGPODWFWONJMQ-UHFFFAOYSA-N 369.421 2.433 0 40 FEAB CCN(CC)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1 58246571 MQCDVUXIBVYCOK-MRXNPFEDSA-N 354.414 2.068 0 40 FEAB CC(C)(C)OC(=O)NCCNC(=O)CSCC(=O)c1ccccc1 58325151 YALDYSHMHVJOLQ-UHFFFAOYSA-N 352.456 2.243 0 40 FEAB COc1ccccc1CCNC(=O)c1c(-n2cnnn2)sc2c1CCC2 36354357 DVFKATRACNKBBA-UHFFFAOYSA-N 369.450 2.194 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@@H](C)O[C@H](C)C1 28654898 YEGGAIALAMTOAD-HSMVNMDESA-N 354.397 2.355 0 40 FEAB Cc1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 59004563 AVPQXNIUQRAYEN-HKUYNNGSSA-N 371.408 2.382 0 40 FEAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566104 ARLABYQUCBXPKO-UHFFFAOYSA-N 368.499 2.236 0 40 FEAB CSCCCNC(=S)NC[C@@H](C)N1CCN(c2ccccc2)CC1 36847408 IIMMIONHPADUMN-MRXNPFEDSA-N 366.600 2.414 0 40 FEAB O=C(c1cccnc1)N1Cc2nc3cc(-c4ccccn4)nn3c(O)c2C1 100215676 LFJNJIBVFPLWOF-UHFFFAOYSA-N 358.361 2.048 0 40 FEAB CSCC[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl 2726279 GMYRAWDJINRXPT-LBPRGKRZSA-N 364.298 2.442 0 40 FEAB CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccccc3F)nc12 47312861 ALRSRDQHUXRSHG-UHFFFAOYSA-N 359.313 2.108 0 40 FEAB COC(=O)c1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1 25398734 XTMUNXHGYPQXMQ-UHFFFAOYSA-N 370.405 2.315 0 40 FEAB COc1ccc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)c(OC)c1 13074014 WXBJGHZUQGVMAI-UHFFFAOYSA-N 361.442 2.348 0 40 FEAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NCCc1ccccc1 6111356 FWKLOJWDCISCFS-UHFFFAOYSA-N 353.447 2.306 0 40 FEAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1C 4386389 ACTFKXXACYQTJY-UHFFFAOYSA-N 373.416 2.196 0 40 FEAB COc1ccccc1OCC(=O)Nc1ccc(OC(C)=O)cc1C(=O)O 4824122 RZYRDKOWWAWSEU-UHFFFAOYSA-N 359.334 2.336 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCCCC1 408588709 DRMYSZKFIKXDCT-CQSZACIVSA-N 354.472 2.073 0 40 FEAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(O)CC1 71798508 VHDLZSJFPXCKMQ-DIKOGFFKSA-N 362.514 2.327 0 40 FEAB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]1c1cccc(F)c1 67384310 KWRQAJQNDXAOHW-TZMCWYRMSA-N 351.359 2.349 0 40 FEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CN2CCCC2=O)cc1 25450247 UIILLXJDVIMROD-QGZVFWFLSA-N 366.417 2.379 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 7785004 OIYGXHHSMGZWNA-UHFFFAOYSA-N 368.842 2.268 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(F)c(Cl)c2)cc1 43268452 CTIJENUHCSGEMS-UHFFFAOYSA-N 371.821 2.491 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1)N(C)C 16599214 ZXEFVHBTMWJQRQ-SFHVURJKSA-N 360.479 2.431 0 40 FEAB Cc1cc(CNC(=O)CCc2c(C)nc3nc(N)nn3c2C)ccc1F 9691014 BKAYYTPIAFHCJX-UHFFFAOYSA-N 356.405 2.020 0 40 FEAB COc1ccc(CNC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc1 8990335 ZCXGJDKYGBCSNJ-UHFFFAOYSA-N 363.830 2.423 0 40 FEAB COc1ccc(Cc2nnc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)s2)cc1 71285102 ZRSRETSISIFPED-OLZOCXBDSA-N 361.423 2.433 0 40 FEAB Cc1cc(NC(=O)N[C@@H](CC(C)C)C(=O)NCCO)ccc1OC(C)C 84093562 IZVQRTAFKXKQFP-INIZCTEOSA-N 365.474 2.427 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(Cn2cccn2)c1 97044179 PEADEKSOAPBFCY-IRXDYDNUSA-N 366.421 2.045 0 40 FEAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 21307196 XSCLSIQTGFAUMW-UHFFFAOYSA-N 352.412 2.335 0 40 FEAB O=C(COc1ccc(C(F)(F)F)cc1)N1CCOC[C@H]1c1ncon1 95981300 UEZKOQLJGRPXGZ-LBPRGKRZSA-N 357.288 2.067 0 40 FEAB Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)c1 223349549 BHSLJDWAIPAKFW-CQSZACIVSA-N 353.378 2.248 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccco1 408703535 SFKODOWAXBADHA-UHFFFAOYSA-N 364.423 2.003 0 40 FEAB Nc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(=O)O)c1 408712695 JBXLGQFNPWHKRZ-UHFFFAOYSA-N 355.394 2.018 0 40 FEAB CC(C)(C)c1cc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)on1 75164216 NIYHBSZVNGJGKC-CQSZACIVSA-N 357.410 2.338 0 40 FEAB COc1ccc(CCNC(=O)c2coc(NC(=O)C3CC3)n2)cc1OC 70638754 UVQSQZTWGQELMG-UHFFFAOYSA-N 359.382 2.013 0 40 FEAB CC[C@H](C)[C@@H](CO)NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524505 IYGMJKBJFHYYET-MAUKXSAKSA-N 374.481 2.105 0 40 FEAB COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 34087029 KBPBMDAPIDSJRH-UGSOOPFHSA-N 373.453 2.208 0 40 FEAB CCn1cc(CN2CCCC[C@H]3CN(C(=O)c4ccccn4)C[C@H]32)cn1 72330647 MOSITUUNVBDOJW-PKOBYXMFSA-N 353.470 2.425 0 40 FEAB Cc1ccccc1OCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40110930 KRFSQZDPUMUNFX-LJQANCHMSA-N 353.378 2.067 0 40 FEAB COc1ccnc(N2CCN(Cc3cc(C(=O)O)ccc3Cl)CC2)n1 573927237 ISAFZKVQCTXKKR-UHFFFAOYSA-N 362.817 2.159 0 40 FEAB O=C(c1ccn(-c2ccccc2F)n1)N1CCCC[C@@H]1c1nc(O)n[nH]1 574744896 XSZBBBNFKKUQGX-CQSZACIVSA-N 356.361 2.203 0 40 FEAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccccc1 239808022 KEPYRCSAQWTQMW-HDJSIYSDSA-N 351.403 2.284 0 40 FEAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccsc4)CC3)[C@@H]1CN(C)C2 96143840 QKNBBXPQIQZYGM-HNAYVOBHSA-N 361.511 2.058 0 40 FEAB Cc1cc([C@H]2CCCN(C(=O)Cn3cc(C(N)=O)c4ccccc43)C2)n[nH]1 578526065 PRYJSTROIKQCQV-AWEZNQCLSA-N 365.437 2.178 0 40 FEAB COCCN(Cc1ccccc1F)C(=O)[C@@H]1Cc2ccccc2C(=O)N1 97654076 NDZWNGPJOGIPOM-SFHVURJKSA-N 356.397 2.155 0 40 FEAB COC(=O)[C@]1(Cc2ccc(OC)cc2)NCCc2cc(OC)c(OC)cc21 24717799 RNBAXZQEZTWZAM-OAQYLSRUSA-N 371.433 2.469 0 40 FEAB biogenic O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 247852492 JIWGNGLRYFWMNM-SFHVURJKSA-N 353.422 2.315 0 40 FEAB CC(=O)NCc1cc([C@H]2CCCN2S(=O)(=O)C2CCCC2)ccn1 257335877 YMGSDPCRQQIDSD-QGZVFWFLSA-N 351.472 2.127 0 40 FEAB Cc1nc2ccc(C(=O)N3CCC[C@](O)(CN4CCCC4)CC3)cc2[nH]1 257274541 NLMNKTBIYCQELJ-HXUWFJFHSA-N 356.470 2.324 0 40 FEAB Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccnn3CC(F)F)n2)c1 684065574 SGKSEGLIILHIBW-SNVBAGLBSA-N 361.356 2.128 0 40 FEAB CC(=O)NC[C@@H]1CN(CCCc2cccc(F)c2)C[C@H]1c1cncn1C 1615547968 HEZQNECOISEKRW-IEBWSBKVSA-N 358.461 2.344 0 40 FEAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Cc1cc(C)ccc1F 656857683 OOCQAQIZGFLEPD-DNVCBOLYSA-N 358.417 2.029 0 40 FEAB COC(=O)c1cc(I)cc(Br)c1N 86876462 SBQGFSIQZQADOG-UHFFFAOYSA-N 355.957 2.423 0 40 FEAB CC(=O)NC(C)(C)c1noc(C[C@@](O)(c2ccc(C)o2)C(F)(F)F)n1 97102706 JMZVGOBGUUQHKD-CQSZACIVSA-N 361.320 2.335 0 40 FEAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)nc12 12117784 DABANUPCNCEMJO-LSDHHAIUSA-N 367.453 2.169 0 40 FEAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc(Cn2cccn2)o1 12145043 NVADJGCWWFJARL-CYBMUJFWSA-N 350.382 2.088 0 40 FEAB O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCCC1 12235961 QFLNYJBOKGHDAQ-KRWDZBQOSA-N 372.513 2.162 0 40 FEAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 12500027 UTZCHTAQQMTMNK-DHZHZOJOSA-N 355.419 2.321 0 40 FEAB COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 16087600 AKXVXORZWLWCIW-MRXNPFEDSA-N 361.419 2.433 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 17054741 AFFBOSLHERYNIZ-CQSZACIVSA-N 368.499 2.257 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3cccc(C)c3)n2CC1 19710735 RBULTADAANYTHO-GOSISDBHSA-N 353.470 2.328 0 40 FEAB O=C(c1ccncc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574937 CDRSCSJVZSULHT-RBUKOAKNSA-N 370.449 2.051 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c2ncccc12 654774370 WPLTXWCEHNJZJB-LBPRGKRZSA-N 364.423 2.119 0 40 FEAB CCS(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 22605870 ZSFDXTKHQPNBMO-UHFFFAOYSA-N 357.526 2.339 0 40 FEAB Cc1cc(NC2CCN(c3ncnc4c3CCCC4)CC2)n2ncnc2n1 585149497 XUTDNNGJQRHPIE-UHFFFAOYSA-N 364.457 2.182 0 40 FEAB Nn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 3442775 BTWQYFMFPXLPSF-UHFFFAOYSA-N 365.768 2.083 0 40 FEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594592 ZBMFVECTEIDPKU-FQEVSTJZSA-N 367.380 2.466 0 40 FEAB CN(C)[C@@H](CNC(=O)CCc1nc(=O)c2ccccc2[nH]1)c1ccccc1 5931576 HFTGZXTWUYOCAD-SFHVURJKSA-N 364.449 2.275 0 40 FEAB CSc1ncc(Br)c(N2CCC[C@H](NC(=O)C3CC3)C2)n1 1889083290 HUMZDEREPOZKSD-JTQLQIEISA-N 371.304 2.456 0 40 FEAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(F)cc3)CC2)n1 1889119448 LPVZQIPLHAUEIP-UHFFFAOYSA-N 371.460 2.083 0 40 FEAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc1 1889152010 GVHXGCVEJGDZTF-INIZCTEOSA-N 358.417 2.430 0 40 FEAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)COCC1=O 2037985804 WRVVAXMZLACUSE-SFHVURJKSA-N 350.846 2.440 0 40 FEAB Cc1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc(C2CC2)n1 2087128967 RSHIMZAEKJNGFO-CQSZACIVSA-N 366.412 2.125 0 40 FEAB NC(=O)COc1ccc(NS(=O)(=O)C23CC4CC(CC(C4)C2)C3)cc1 4694128 RWUHXTRNHXRKSO-UHFFFAOYSA-N 364.467 2.261 0 40 FEAB FC(F)(F)c1cc(N2CCCN(c3ccc4nccn4n3)CC2)ncn1 2086861384 JSSRYUAWCXFGRW-UHFFFAOYSA-N 363.347 2.255 0 40 FEAB O=C(Cn1cnc2ccccc21)N1CCN(c2ccc(C3CC3)nn2)CC1 575618441 BJYZUWDFKQEFQA-UHFFFAOYSA-N 362.437 2.053 0 40 FEAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CCc4nc[nH]c4C3)nc21 220551563 NIDYTCKWDIRVNO-VHSXEESVSA-N 360.439 2.203 0 40 FEAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2 40025704 BEJDBYBOKCEBNS-CQSZACIVSA-N 369.421 2.180 0 40 FEAB CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 100625155 KUUDCXGUWLYZPK-YRGRVCCFSA-N 352.460 2.078 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 101435874 HMSCNPYROSTRCC-FKKBTLCVSA-N 365.389 2.217 0 40 FEAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 32841813 DLCHFXXOLTYCPC-MAUKXSAKSA-N 362.433 2.444 0 40 FEAB O=C(COc1ccccc1-c1noc(-c2ccco2)n1)N1CCOCC1 33325128 WUSRYSFZYKNWOS-UHFFFAOYSA-N 355.350 2.234 0 40 FEAB O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)NCc1ccc(Cl)cc1 22256966 NAPFEZCQWIZVER-UHFFFAOYSA-N 374.780 2.144 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 42211506 LTTZORCNHKOXMP-UHFFFAOYSA-N 373.478 2.226 0 40 FEAB CC(C)[C@@H](C)NC(=O)COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 23941555 MANKYVTTWBLVKN-OAHLLOKOSA-N 373.453 2.107 0 40 FEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 800526 YHPCMQCLZWUTRY-AWEZNQCLSA-N 368.389 2.230 0 40 FEAB O=C(O)CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1 2741238 QZTGIUNFWFMGTC-UHFFFAOYSA-N 364.814 2.123 0 40 FEAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC 4498497 LMXPUYUYVQMGQG-UHFFFAOYSA-N 370.405 2.429 0 40 FEAB Cc1ccc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)nc1 43998663 ULVOCAXEAZEJDG-GJZGRUSLSA-N 359.426 2.311 0 40 FEAB CC1(C)NC(=O)N(CCC(=O)Nc2ccccc2N2CCCCC2)C1=O 12553454 NTGDVBFLGFSWHC-UHFFFAOYSA-N 358.442 2.336 0 40 FEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)no1 8433802 BBAGKHKQLLRVOF-CQSZACIVSA-N 371.393 2.135 0 40 FEAB CCCn1c(O)nnc1SCC(=O)c1cc(OC)c(OC)c(OC)c1 8709145 JTGSTPURGIEJAX-UHFFFAOYSA-N 367.427 2.395 0 40 FEAB Clc1snnc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 58019971 ZVNVNSPBDNYAKH-UHFFFAOYSA-N 352.847 2.238 0 40 FEAB Cc1cc2oc(=O)cc(Cn3cnc4c(cnn4C)c3=O)c2cc1Cl 12599959 KNHUERRIGAOCLE-UHFFFAOYSA-N 356.769 2.247 0 40 FEAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 27324156 OIWSRESUVZUJAT-GFCCVEGCSA-N 372.450 2.020 0 40 FEAB CCOc1nnc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)s1 58181797 UAFYTLAXCWBZTI-UHFFFAOYSA-N 361.471 2.491 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccn(Cc3ccncc3)n2)c1C 58223229 RDFIPTKHFJUDBN-UHFFFAOYSA-N 353.382 2.310 0 40 FEAB Cc1cc(NC(=O)Cn2ccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 58294657 VMNDEBIBZPIZOY-OAHLLOKOSA-N 372.450 2.145 0 40 FEAB O=C1NN(c2cccc(C(=O)N3CCCCC3)c2)C(=O)[C@H]2CC=CC[C@@H]12 58291003 AZBDKFPQAZPSSQ-SJORKVTESA-N 353.422 2.273 0 40 FEAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2 9419007 ZIBLVJPAVSRSNK-UGNRZPKXSA-N 361.401 2.002 0 40 FEAB COc1cc(NC(=S)NC[C@H]2CCCN(C)C2)cc(OC)c1OC 9876270 HJBRULBGMMGZFB-GFCCVEGCSA-N 353.488 2.341 0 40 FEAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccco3)CC2)c(F)c1 10557172 PQKNJFHLXZGZCD-UHFFFAOYSA-N 374.368 2.127 0 40 FEAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(N2CCOCC2)cc1 3216409 OATWCKRNGJDEKU-UHFFFAOYSA-N 358.369 2.458 0 40 FEAB Cc1ccc(CN(C)C(=O)Cn2nnc(COc3ccccc3)n2)cc1 51530172 LJUNHEKSIYPKBN-UHFFFAOYSA-N 351.410 2.219 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 12619974 OZJIWOOCXXPVEG-OWDMVUQNSA-N 355.438 2.075 0 40 FEAB CC1(C)C[C@H](N(CCN2C(=O)CCC2=O)C(=O)c2cccs2)CCO1 12323162 CSJAOGZDMKIHNB-CYBMUJFWSA-N 364.467 2.297 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 12782404 VAAJDAPANHBKRK-JTQLQIEISA-N 351.476 2.453 0 40 FEAB CCc1nc(C)c2c(C)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)sc2n1 12775870 PGIIWYHGQUTBQF-LLVKDONJSA-N 367.496 2.130 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1 3371769 SBGHCUVIKKEIAJ-UHFFFAOYSA-N 373.361 2.286 0 40 FEAB Cc1cccc(N(C)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1C 58170913 DCLPXFUNOKGFCK-UHFFFAOYSA-N 371.466 2.319 0 40 FEAB COc1cc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc(OC)c1OC 9114781 FKBKGYACMFEEAI-MRXNPFEDSA-N 357.362 2.433 0 40 FEAB C[C@H](O)c1ccccc1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1 12894771 FROPYFFOXVQBJJ-KBPBESRZSA-N 360.483 2.346 0 40 FEAB Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 3487168 SZFGGPXGSDJODI-UHFFFAOYSA-N 358.419 2.440 0 40 FEAB O=C(Nc1ccccc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13005421 AEHHPUGIRFFWFQ-GFCCVEGCSA-N 354.362 2.155 0 40 FEAB CCCOC(=O)CNC1([C@@H](CC(C)C)NC(=O)OC(C)(C)C)COC1 306145596 JVZJSMBNZGFXNK-CQSZACIVSA-N 358.479 2.238 0 40 FEAB Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2c1C 5319318 DTWRXBLFXSWUBG-UHFFFAOYSA-N 357.391 2.442 0 40 FEAB COCCNc1nnc(SCC(=O)NCCc2ccc(F)cc2)s1 6404953 DWWPSQQFAVCRKQ-UHFFFAOYSA-N 370.475 2.187 0 40 FEAB Cc1nc(SCC(=O)NC[C@@H]2COc3ccccc3O2)nc(C)c1C 7294078 UBPHODLJOWSBBG-CQSZACIVSA-N 359.451 2.450 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 8312443 RBCSZRLYPRFPBD-HNNXBMFYSA-N 355.316 2.364 0 40 FEAB Cc1cccc(CN2CCn3c(nn(Cc4cccc(C)c4)c3=O)C2=O)c1 98213122 RGXPTWLYILGDIE-UHFFFAOYSA-N 362.433 2.366 0 40 FEAB COC(=O)C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)CCO1 75104456 FZDMUANULNYDSW-OAHLLOKOSA-N 360.435 2.143 0 40 FEAB COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 89644313 ZTAAIXKJUGAHMC-AWEZNQCLSA-N 368.455 2.060 0 40 FEAB CCOC(=O)C[C@@H](C)CNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 89983625 SVVDSXIDZZXHJO-CQSZACIVSA-N 373.453 2.492 0 40 FEAB Cc1cc(N2Cc3cccn3C[C@H](Oc3ccccn3)C2)n2ncnc2n1 306132864 LUTIFAVKEZEKBQ-INIZCTEOSA-N 361.409 2.097 0 40 FEAB O=C(NCc1ccccc1Cl)[C@H]1COCC(=O)N1Cc1ccccc1 70641345 PGFYZASMSMTPTQ-QGZVFWFLSA-N 358.825 2.384 0 40 FEAB CCOc1ccccc1CNC(=O)CN(c1ccccc1)S(C)(=O)=O 22432023 HHSVEZOZJPKNNG-UHFFFAOYSA-N 362.451 2.168 0 40 FEAB Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)cc(Br)c1F 408492424 JVOGGXDQCNVYHB-ZETCQYMHSA-N 372.162 2.357 0 40 FEAB Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cccc2nn[nH]c12 546693086 PZXDUHCVINBMLD-INIZCTEOSA-N 365.393 2.128 0 40 FEAB CCOCCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 408546504 DXBNCTMMFQXJRK-OAHLLOKOSA-N 356.488 2.001 0 40 FEAB CCOC(=O)n1nc(-c2ccccc2)nc1S[C@@H]1CCS(=O)(=O)C1 217357875 OFSJYVDAUFDDQQ-GFCCVEGCSA-N 367.452 2.229 0 40 FEAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 72227052 KJJDYJHIWZQYRS-RBUKOAKNSA-N 372.421 2.132 0 40 FEAB CCc1c(O)nc(SCC(=O)Nc2cc(Cl)ccc2OC)[nH]c1=O 35310920 BOLSTZMAUIHWPC-UHFFFAOYSA-N 369.830 2.431 0 40 FEAB CN(CCCC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 219706533 SYVCZQUGWHXZDL-UHFFFAOYSA-N 360.479 2.446 0 40 FEAB CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1OCCC 72414195 SKSYPNRWDYIPJW-UHFFFAOYSA-N 356.488 2.200 0 40 FEAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccs1 225125962 IQJAFEJVHMGIAT-UHFFFAOYSA-N 371.436 2.134 0 40 FEAB O=C(Nc1nc[nH]n1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 75172743 YDLKPEQUTLLEFM-UHFFFAOYSA-N 363.425 2.306 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 46317509 IBKDYXPCVYHISZ-FZMZJTMJSA-N 368.380 2.022 0 40 FEAB COCc1nn2c(ncc3c(=O)n(CCCO)ccc32)c1-c1ccccc1 40396388 DXGYLONQFQTMIB-UHFFFAOYSA-N 364.405 2.240 0 40 FEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1CCCN(c2cccnn2)C1 135307391 LXHRXOVKPBIWQZ-AEFFLSMTSA-N 352.438 2.266 0 40 FEAB COc1cc(CNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 44442433 AMBGCSYULVKVDD-KRWDZBQOSA-N 359.378 2.169 0 40 FEAB CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(C)cc1 222629281 DOGLQYNCLZNNSL-LBPRGKRZSA-N 354.457 2.235 0 40 FEAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C 223261542 MWEJTEVXLWZUMI-ZWKOTPCHSA-N 373.526 2.064 0 40 FEAB COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)ncn3C)c2ccccc2O1 225891228 DUHHLMAENITSIV-QGZVFWFLSA-N 351.362 2.154 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225659752 YVYDJHUOKJRKGZ-SNVBAGLBSA-N 354.457 2.176 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)CN1CC1CC1 96207484 MEHZCAOFHBLJFG-SFHVURJKSA-N 350.503 2.153 0 40 FEAB COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCC(N)=O 97987527 CDUGFRJQFDXRSA-VGOFMYFVSA-N 370.336 2.043 0 40 FEAB CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C(=O)O)cc3Cl)C2)C1 578976414 CXMOTERTVZVHIY-MRXNPFEDSA-N 372.874 2.145 0 40 FEAB O=C(Cc1cccc(I)c1)NC1(C(=O)O)CCCC1 238087111 BIYBZHNKCDIFGF-UHFFFAOYSA-N 373.190 2.347 0 40 FEAB CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CCN(C(=O)N(C)C)C3)n2c1 96156281 OCLLSTYXMQNRMO-CYBMUJFWSA-N 372.473 2.119 0 40 FEAB Cc1csc(CN2CC[C@]3(CCC[C@@H](CNC(=O)N(C)C)O3)C2)n1 96208081 NQDFIHSMRUWPGQ-WMLDXEAASA-N 352.504 2.236 0 40 FEAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(P(=O)(O)O)cc1 97974194 JBPITJXQKNITNH-UHFFFAOYSA-N 369.741 2.124 0 40 FEAB Cc1ncoc1C(=O)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96219350 KPNBIJRZVSRNAI-RDTXWAMCSA-N 357.414 2.039 0 40 FEAB Cc1noc(C)c1-c1cc(CC2CCN(CC(=O)N(C)C)CC2)ncn1 257325680 WTZGGVDEZAEGBB-UHFFFAOYSA-N 357.458 2.091 0 40 FEAB COCC(=O)N1CCC[C@H]1c1cncc(N2CC3(CCCCC3)OC2=O)n1 257259255 KXNIXLVAAJABRA-HNNXBMFYSA-N 374.441 2.446 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CCCC1 257288866 PWAJJQKNLAPVGS-INIZCTEOSA-N 370.497 2.421 0 40 FEAB O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cn(-c2cccc(Cl)c2F)nn1 619078143 OSMMRRFKQOPSFL-OLZOCXBDSA-N 350.781 2.093 0 40 FEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCO[C@H](c2cccc(O)c2)C1 675942551 GHZLUOSAIZAJCV-FQEVSTJZSA-N 368.433 2.443 0 40 FEAB C[C@H](NC(=O)C(=O)NC[C@](O)(c1ccoc1)c1ccco1)c1ccccc1 390827521 ZAVDZXFUACLTHT-XOBRGWDASA-N 368.389 2.102 0 40 FEAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cscn1 585111792 BXRQCVUQNUEYEC-HNNXBMFYSA-N 368.466 2.112 0 40 FEAB O=C(O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 580084833 BLNVKUUTZKIPPQ-GOSISDBHSA-N 374.462 2.009 0 40 FEAB Cn1cnc([C@@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@H]2N)c1 685940794 IOWVPWKGAYHMKC-HUUCEWRRSA-N 354.376 2.288 0 40 FEAB C[C@@]12COC[C@@H]1CN(C(=O)c1nc(-c3ccccc3)n3c1COCC3)C2 1550687061 HZROPUIFKIIBCK-MGPUTAFESA-N 353.422 2.189 0 40 FEAB C[C@H](CN1CCCC1=O)NS(=O)(=O)c1c(Cl)cccc1Cl 55280421 BKJYYYGXBMIHFF-SECBINFHSA-N 351.255 2.283 0 40 FEAB Cc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)N(C)C)cc1 58185600 YRHVCLHFBMNWJX-SFHVURJKSA-N 360.479 2.431 0 40 FEAB CC(C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 5733111 RVGUTUVGUGJBBY-INIZCTEOSA-N 364.442 2.395 0 40 FEAB Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cn1 12256054 QIVRYLRUCFPFNO-CQSZACIVSA-N 363.421 2.087 0 40 FEAB Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)C2CC2)c1 13856436 FGNACIRHNOWPCC-BZSNNMDCSA-N 369.465 2.372 0 40 FEAB CN1CCc2cc3c(cc2[C@H](O)Cc2ccc4c(c2C1)OCO4)OCO3 14681297 VVKPTQWGSHLYGL-MRXNPFEDSA-N 355.390 2.408 0 40 FEAB biogenic Cc1nn2c(=O)cc(COC(=O)COc3ccc(Cl)cc3)nc2s1 15733953 IBXPWELCNCFQKH-UHFFFAOYSA-N 365.798 2.235 0 40 FEAB COc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3cnn(C)c3)on2)cc1 19456477 FCOCTASHJWOGJE-LBPRGKRZSA-N 356.382 2.281 0 40 FEAB Cn1nc2c(c1C(=O)Nc1cccc(C(=O)N3CCOCC3)c1)CCCC2 19656523 YPNLGCBKRKDBKQ-UHFFFAOYSA-N 368.437 2.024 0 40 FEAB COc1cc(-c2noc(CN3CCN(C)CC3)n2)ccc1OC(F)F 36396277 CFARDNSWIBWBRT-UHFFFAOYSA-N 354.357 2.094 0 40 FEAB NC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2F)n1 22508944 BHSDFUGDENVNHI-UHFFFAOYSA-N 358.192 2.325 0 40 FEAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 1848352511 VDHFGUOCMPMOIU-CQSZACIVSA-N 350.430 2.421 0 40 FEAB O=C([C@H]1CCCO1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888834352 PNAHVVIXJUMYSQ-MBNYWOFBSA-N 355.360 2.174 0 40 FEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2Cl)OCC1=O 1888863794 RXHYKHMHCRSQFO-NCNPBXTDSA-N 366.820 2.474 0 40 FEAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 14125413 YYFMMAQKWFIVTH-UHFFFAOYSA-N 374.462 2.290 0 40 FEAB COCCn1c(-c2ccncc2)nn(CN2C[C@@H](C)O[C@H](C)C2)c1=S 25158934 ZMHUPUXFGRAUOP-ZIAGYGMSSA-N 363.487 2.189 0 40 FEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCCn2cncn2)C1 2037908847 ABKXXGOXBDJSKA-LJQANCHMSA-N 358.442 2.145 0 40 FEAB COc1ccc(F)cc1CN1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984357 YJDDHQRSJMIYCP-IBGZPJMESA-N 350.434 2.294 0 40 FEAB Cc1nc(CN2CCOC3(CCN(C(=O)C4(F)CC4)CC3)C2)cs1 1565546410 AKRJOOLSNFMWTD-UHFFFAOYSA-N 353.463 2.147 0 40 FEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2C(N)=O)C1 4275154 NNSRGXJKZQIOBU-UHFFFAOYSA-N 357.435 2.312 0 40 FEAB CC(C)(C)NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479159 CYRIPPZUJSKTGU-UHFFFAOYSA-N 359.817 2.150 0 40 FEAB CCOC(=O)C1CCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)CC1 9704767 HWCAGCGTBOMVFT-UHFFFAOYSA-N 357.406 2.446 0 40 FEAB COc1ccc(N2Cc3nc(=O)n(Cc4ccc(F)cc4)n3C2=O)cc1 15085579 JBGOGCQNSZZHRE-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB CCc1ccc(S(=O)(=O)NC2CCN(c3cnsn3)CC2)s1 575617066 XELLUBHKXGITMT-UHFFFAOYSA-N 358.514 2.109 0 40 FEAB O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2c(c1)CCO2 390828721 TVNKPAGXLJYSMO-OAHLLOKOSA-N 363.439 2.188 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1 31240950 IHJKTIHFRGQZEI-INIZCTEOSA-N 352.390 2.383 0 40 FEAB CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)CC(=O)N(C)C 50958979 QUTPSXJSAGGMIN-UHFFFAOYSA-N 372.494 2.332 0 40 FEAB O=C(NCc1ccc(F)cc1)c1nc(COc2ccc3c(c2)OCO3)no1 20723140 LMKWRHWNEAUQCY-UHFFFAOYSA-N 371.324 2.446 0 40 FEAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 21329540 DTVKLEJZZOSMGN-AWEZNQCLSA-N 366.483 2.494 0 40 FEAB Cc1c(C(=O)NCc2nnc3ccccn23)cnn1-c1ccc(F)cc1F 32702468 TYIHFHQIADNRTL-UHFFFAOYSA-N 368.347 2.432 0 40 FEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1OC(F)F 102405260 KJWBJJZGBHKZFU-PHIMTYICSA-N 352.337 2.402 0 40 FEAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCCCC1 32958780 ADCYAHMOAUZLPC-OAHLLOKOSA-N 352.456 2.287 0 40 FEAB CCN(C(=O)[C@H](C)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 52774010 VTQSVXADMMNLAE-WCQYABFASA-N 374.890 2.185 0 40 FEAB Cn1ccs/c1=N\C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 21974038 BVPPVBCMCNIUGX-BOPFTXTBSA-N 351.737 2.048 0 40 FEAB O=C(NC1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)C1CC1 53558530 KBVRECPLDVZMKC-UHFFFAOYSA-N 362.437 2.286 0 40 FEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2ccccc2)C1 12441592 RKMYHSWLYCMBKQ-SFHVURJKSA-N 361.419 2.220 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CC)C2=O)c(OC)c1 24090995 FTQXKYGAHFROJM-BTGZFJRMSA-N 362.426 2.189 0 40 FEAB COc1ccc(-c2noc(C(=O)NCCc3ccc(O)cc3)n2)cc1OC 12408228 YABNWJIHARTJMW-UHFFFAOYSA-N 369.377 2.432 0 40 FEAB C[C@H]1CN([C@H](C)CNC(=O)CCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 105637254 IUMSQJAGMWUOEM-KURKYZTESA-N 370.497 2.419 0 40 FEAB COc1ccccc1-n1nnc(C(=O)NCCOc2ccccc2)c1C 24625129 PMQJLLNHSWVTKJ-UHFFFAOYSA-N 352.394 2.393 0 40 FEAB CN1CCN(CCCNC(=O)Nc2nncs2)[C@H](c2ccccc2)C1 43128809 RPQXTNKDQPFTCX-HNNXBMFYSA-N 360.487 2.038 0 40 FEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106529525 TUTJQOUDMUIHAH-HLLBOEOZSA-N 352.500 2.150 0 40 FEAB Cc1cc(C)c(CNC(=O)NCCOc2ccc3c(c2)CCC3)c(=O)[nH]1 79765502 HVFDJIULAYTUHC-UHFFFAOYSA-N 355.438 2.359 0 40 FEAB CN(C(=O)CN1CCOCC1)[C@]1(c2ccccc2Cl)CCCCC1=O 25427070 FXONBPHXTWKTDO-IBGZPJMESA-N 364.873 2.469 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 4419160 VMPLQZDGNIIOIG-CHWSQXEVSA-N 350.415 2.370 0 40 FEAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4nc[nH]n4)cc3C2=O)c1 26264096 MVGJJJZQRLLDFR-UHFFFAOYSA-N 361.361 2.474 0 40 FEAB NC(=O)N[C@@H](CC(=O)Nc1ccc(-n2cccn2)nc1)c1cccs1 44249461 KNSNAQOQTRUKBS-LBPRGKRZSA-N 356.411 2.067 0 40 FEAB COc1cc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)cc(OC)c1 57509177 DEQHGZPAUGSVHE-UHFFFAOYSA-N 353.382 2.427 0 40 FEAB COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1 8716803 AFHUVGLMRIPVIY-UHFFFAOYSA-N 370.380 2.311 0 40 FEAB Cc1cc(C)n2nc(SCC(=O)N[C@H]3CCOc4ccccc43)nc2n1 27112587 NMOLGFNJAYTQKC-AWEZNQCLSA-N 369.450 2.473 0 40 FEAB CCCS(=O)(=O)N1CCC(NC(=O)CCNc2ccccc2C)CC1 58227382 HTZUHSGMKDSSBR-UHFFFAOYSA-N 367.515 2.117 0 40 FEAB Cc1cc(C)n(Cc2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)c2)n1 102016338 VMLRCFXKDZKCPG-XSLAGTTESA-N 351.406 2.215 0 40 FEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1F 62343906 FTDWFNJEEHUPMQ-IAGOWNOFSA-N 364.417 2.219 0 40 FEAB O=C(Cc1cccc(F)c1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 48362585 ICYKFJVXVDKPOX-UHFFFAOYSA-N 362.426 2.125 0 40 FEAB c1ccc(-n2ccc(CNC[C@]3(N4CCOCC4)CCSC3)n2)cc1 95452909 VGWUWTYAXMLXEJ-LJQANCHMSA-N 358.511 2.170 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)c1 3440030 UEGPKKHYWNNIFT-UHFFFAOYSA-N 366.483 2.253 0 40 FEAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)NCCc1ccc(F)cc1 3504146 VPPAUKUSXNWJFS-ACCUITESSA-N 362.426 2.075 0 40 FEAB CCc1cccc(OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 12982462 KPDJETZRTQFKPL-CYBMUJFWSA-N 362.451 2.153 0 40 FEAB CCOC(=O)C1=NN(c2ccc(F)cc2)[C@]2(N3CCOCC3)CCC[C@@H]12 12984563 SAUJWPGRQPADBG-QFBILLFUSA-N 361.417 2.393 0 40 FEAB CCO/N=C(\C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 13269083 NKNYAQQRDVUZGQ-YSKWHIJTSA-N 354.428 2.075 0 40 FEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1noc(C4CC4)n1)(C3)C2 63906333 INQRKIVFNUVJFU-NFAYLAGKSA-N 359.426 2.465 0 40 FEAB CCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1 4498176 IPVPLIZVICKGIL-UHFFFAOYSA-N 353.850 2.280 0 40 FEAB Cc1cc(C)c(CNC(=O)Cc2csc(-c3ccccn3)n2)c(=O)[nH]1 14137705 HZGVYVRMWLOPMC-UHFFFAOYSA-N 354.435 2.369 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(C4CC4)CC3)ccc12 14166370 MDTKMAYGSLENBX-UHFFFAOYSA-N 356.422 2.223 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)cc3)C2=O)cc1 6841358 HAVVUJSTHSRKDL-MHWRWJLKSA-N 351.362 2.232 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 6939436 PRKJUTMRXCBFHM-UHFFFAOYSA-N 371.368 2.478 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7325435 UNUSIGPVIJFAAH-UHFFFAOYSA-N 374.418 2.401 0 40 FEAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC(=O)NC1CCCC1 7798396 OIMOZUFSNDFOGD-UHFFFAOYSA-N 370.438 2.367 0 40 FEAB COc1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 7978491 ISIKYSJDZUNPSX-UHFFFAOYSA-N 364.423 2.206 0 40 FEAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1cc(C)oc1C 96889628 AYXYPSSBPFBECU-RIYZIHGNSA-N 353.396 2.033 0 40 FEAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccn(-c2ccccc2)n1 84170067 ZYTUVXCBEPVXBB-HNNXBMFYSA-N 358.467 2.302 0 40 FEAB COc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 69661645 PEQFVLGHNXHRKY-UHFFFAOYSA-N 350.415 2.484 0 40 FEAB CNC1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 97019645 DSIPVVKSHGBUCR-UHFFFAOYSA-N 360.408 2.463 0 40 FEAB Cc1cc(NC(=O)CN2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)no1 17988842 BHOVFMBNHGMVBU-OAGGEKHMSA-N 367.405 2.490 0 40 FEAB CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1nnc(C(C)C)s1 8814433 MOWRAUNBXNSQDG-SSDOTTSWSA-N 353.477 2.125 0 40 FEAB CN(C(=O)CSc1nc2ccccc2c(=O)n1N)c1ccc(F)cc1 72328602 JJQZRXVVQLPSKT-UHFFFAOYSA-N 358.398 2.005 0 40 FEAB CCOc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(Cl)c1O 95941039 DICGVBQCQHOPFR-ZDUSSCGKSA-N 352.818 2.328 0 40 FEAB CN1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)N2CCCC2)C1 306128164 GSOWVZZFIBRYOF-QGZVFWFLSA-N 350.466 2.413 0 40 FEAB COc1ccc2c(c1)CCN2C(=O)C(=O)N[C@H](C)Cc1ccc(O)cc1 89904143 YBOZGKWTZGDSGU-CYBMUJFWSA-N 354.406 2.037 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238869119 MLTNSZKFGJSOOO-HUUCEWRRSA-N 358.825 2.045 0 40 FEAB CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@](C)(C(F)(F)F)O1 505782715 OEXJOKSMCJIFHI-HNNXBMFYSA-N 369.347 2.234 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 17521747 GBAWRLQEFGGCFV-CQSZACIVSA-N 364.402 2.232 0 40 FEAB O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2 551714812 XEGYIQJHZWMCDJ-AWEZNQCLSA-N 356.401 2.284 0 40 FEAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCCCO1 555122781 HDNWBRIPEKYDOV-ZDUSSCGKSA-N 373.331 2.428 0 40 FEAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3cccc(F)c3)O2)no1 77262759 CDAPOCMMOKDPMG-YTQUADARSA-N 364.417 2.201 0 40 FEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218490616 USVMYHLLOBQKDQ-BBWFWOEESA-N 351.855 2.278 0 40 FEAB CNc1cc(CNC(=O)Cc2cccc(OC)c2)nc(-c2cccnc2)n1 72391462 PIWVIBGJHAMFLF-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB Cn1cc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)cn1 72374134 JHYBJJTYOGSZEJ-UHFFFAOYSA-N 350.426 2.235 0 40 FEAB COc1ccc(NC(=O)Cn2c(N3CCCCC3)nc(C)cc2=O)cc1 49410933 IWEZFJUNLRTVPB-UHFFFAOYSA-N 356.426 2.189 0 40 FEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1 223792254 GANLWKMWDLUFTD-UHFFFAOYSA-N 358.420 2.463 0 40 FEAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NCc1nc(C)cs1 223411220 HENTUMMGHRHAJN-CQSZACIVSA-N 359.451 2.268 0 40 FEAB O=C(Cc1ccccn1)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96158342 OQMUFNBYDFPEFI-IBGZPJMESA-N 355.417 2.072 0 40 FEAB COc1ccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 96049146 JAMQLHBLRFGZMC-FQEVSTJZSA-N 354.454 2.357 0 40 FEAB O=C(Cc1ccsc1)N1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240914 WTFVBIGKVCVSFP-INIZCTEOSA-N 362.495 2.168 0 40 FEAB COC(=O)c1ccccc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 238861485 KTPDNSXPLRVNTG-HDJSIYSDSA-N 355.394 2.383 0 40 FEAB CC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn23)CC1 96155959 JTUWNBBDTWDECS-UHFFFAOYSA-N 354.454 2.280 0 40 FEAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1Cc1ccco1 96109810 SFDZCSKFHWFZCV-OAHLLOKOSA-N 358.442 2.192 0 40 FEAB c1cncc(OC[C@@H]2CCOC23CN(Cc2ccc4c(c2)OCO4)C3)c1 248343114 ZPBXSDVQDXXUPN-INIZCTEOSA-N 354.406 2.480 0 40 FEAB CCCCS(=O)(=O)N1CC[C@@H](CNc2ncnc3c(C)csc23)C1 585080312 HCYAVTBRUPABCX-ZDUSSCGKSA-N 368.528 2.863 0 40 FEAB CN(c1ccncn1)C1CC2(CCN(C(=O)CC3(O)CCCCC3)C2)C1 257290132 QBSICGYWYZZHPV-UHFFFAOYSA-N 358.486 2.379 0 40 FEAB COCCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1cccc(OC)c1 257340997 ZIKMHHMKKVQHTJ-MJGOQNOKSA-N 360.454 2.148 0 40 FEAB Cc1ncc(-c2cncc(C[C@@H]3CCN(C(=O)c4ccccn4)C3)n2)n1C 257252760 JWBOFYNTOCHWSZ-HNNXBMFYSA-N 362.437 2.285 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1OC 257340261 ZFGBNTMFJRODPJ-XLIONFOSSA-N 373.497 2.157 0 40 FEAB CC(C)c1noc(CCC(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 257201623 AIIWORBSWWYRAK-CQSZACIVSA-N 359.430 2.474 0 40 FEAB O=C(CN1CCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257329895 XLYQCNPGYCEIGC-INIZCTEOSA-N 368.485 2.134 0 40 FEAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)cn1 257324529 WPDJNNWNAUZMMP-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB Cc1cccnc1[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(C)C 265220673 XEGCXUUTMJNLKT-MRXNPFEDSA-N 354.458 2.409 0 40 FEAB NN1C2=NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)CN2c2ccccc21 618256799 LZMZDJNPAZFUDN-LLVKDONJSA-N 369.812 2.381 0 40 FEAB COc1ccc([C@H](NC(=O)c2cnc3n2CCCC3)C(=O)O)cc1Cl 630188434 GDXHSFJGTJVOPV-HNNXBMFYSA-N 363.801 2.437 0 40 FEAB Cc1ccnc(F)c1-c1cccc(N2C[C@@H](N3CCNCC3)CC2=O)c1 1772715234 DEUUZBQSQYJQIS-KRWDZBQOSA-N 354.429 2.207 0 40 FEAB CC(C)(C)N1CC[C@@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)C1 661252281 OGIUSNMNNXYEGQ-CYBMUJFWSA-N 364.881 2.097 0 40 FEAB O=C([C@H]1CCCO1)N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 585102094 QXYIJUDCGMZJBW-UYAOXDASSA-N 352.438 2.380 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(C)cc2)Cc2ccnn21 585112673 VDYVUKFSKXYYTK-GOSISDBHSA-N 362.499 2.078 0 40 FEAB O=C(C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1)N1CC(F)(C2CC2)C1 585101213 OCXZNWNUGGSKNE-LJQANCHMSA-N 372.444 2.153 0 40 FEAB CCS(=O)(=O)c1cccc(CNC(=O)NC[C@@H]2CCCCN(C)C2)c1 685939086 ZKBAIKJRTDRVPG-INIZCTEOSA-N 367.515 2.011 0 40 FEAB CN(C(=O)Cc1ccc(NC(=O)[C@H]2CCC(=O)NC2)cc1)c1ccccc1 55766148 BUDYJTWMZPNFFT-INIZCTEOSA-N 365.433 2.357 0 40 FEAB COc1ccc(C(=O)NCCCNC(=O)c2cccc(F)c2)cc1OC 78613477 UBAKEKVIMCGYFE-UHFFFAOYSA-N 360.385 2.393 0 40 FEAB COCCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 12184809 WNGAUFNQWOMJDC-KMTJZVEASA-N 358.438 2.094 0 40 FEAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1nc(C)cs1 17599746 HHJYWUGLFWPGTL-UHFFFAOYSA-N 372.406 2.441 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 19169803 SJDPJSREZDWCLE-UHFFFAOYSA-N 352.843 2.236 0 40 FEAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19448218 OSBYIGWOOUKTIM-QGZVFWFLSA-N 358.486 2.390 0 40 FEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)C4CCC4)C3)c2N)cc1 19558748 XIQVJNXQFQPWIN-CQSZACIVSA-N 368.437 2.294 0 40 FEAB CCN(C(=O)[C@@H](C)c1nn(CC)c(=O)c2ccccc12)C1CCN(C)CC1 19660558 STESKUVYISYUFI-HNNXBMFYSA-N 370.497 2.463 0 40 FEAB CCn1nccc1C(=O)N1CC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 19747885 AUPPTZSWGYTMGD-HNNXBMFYSA-N 374.872 2.377 0 40 FEAB COC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(C)=O)c2ccccc2O1 9322563 QTCQOIUSTQKOLE-GOSISDBHSA-N 368.389 2.268 0 40 FEAB CC(C)c1ncnc(N(C)[C@H]2CCCN(S(=O)(=O)C(C)C)C2)c1F 1888856591 CSYLIPZJTHXXSC-ZDUSSCGKSA-N 358.483 2.378 0 40 FEAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cc5ccccc5)C[C@@H]4C3)n1)CCC2 1888885466 KIMOPTUFXHIWPK-QZTJIDSGSA-N 362.477 2.411 0 40 FEAB O=C(CN(Cc1ccccc1)C1CC1)N1CCN(C(=O)c2ccco2)CC1 25128956 SGTVSZIKECJEGI-UHFFFAOYSA-N 367.449 2.229 0 40 FEAB COc1ccc(C)c2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2086992574 GIMUUEHHIAEDSX-UHFFFAOYSA-N 371.466 2.034 0 40 FEAB Cc1csc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)c1 1565556777 VCAFKQNCPKFBMM-UHFFFAOYSA-N 361.467 2.476 0 40 FEAB COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 4274348 PKHGDMUXRWLSDZ-VIFPVBQESA-N 367.452 2.447 0 40 FEAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C(N)=O)cc1 11694314 DMUSUBUQEQPROK-UHFFFAOYSA-N 354.341 2.371 0 40 FEAB CC(=O)Nc1ccc(SCC(=O)NCc2ccc(Cl)cc2)nn1 11738802 MGGLBBXMEYBBLI-UHFFFAOYSA-N 350.831 2.497 0 40 FEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)CCCOc2ccc(F)cc2)C1 12440752 RGJGLNWLYVXCCG-AWEZNQCLSA-N 373.446 2.200 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3cc(C(F)(F)F)nc(C)n3)C2)nc1 2086884437 TUXWRQJQYSEKBC-SNVBAGLBSA-N 355.320 2.260 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679711 SDPLXOOYOPPMSC-KGLIPLIRSA-N 365.455 2.347 0 40 FEAB COC(=O)C1=C(C)Nc2nc(C(=O)OC)nn2[C@H]1c1ccc(Cl)cc1 20413008 YLCUOOWFLAULPL-LBPRGKRZSA-N 362.773 2.180 0 40 FEAB CCn1c(=O)n(CC(=O)Oc2ccc(NC(C)=O)cc2)c2ccccc21 32847806 RISROVWXNFNWRG-UHFFFAOYSA-N 353.378 2.387 0 40 FEAB CN(C)C(=O)CNC(=O)NCC1(c2cccc(Br)c2)CCC1 52500891 DYNDTOXVWZKPIC-UHFFFAOYSA-N 368.275 2.258 0 40 FEAB Cc1nn2c(NC(=O)CSc3nc4ccccc4o3)csc2nc1=O 12407393 PYHSFUZWNMWRID-UHFFFAOYSA-N 373.419 2.331 0 40 FEAB Cc1cnc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cn1 96021399 WAQGSKPSZBDAQE-NTUHNPAUSA-N 374.447 2.313 0 40 FEAB O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc2nonc12 79484436 ROPBFONBCAGUSV-UHFFFAOYSA-N 351.410 2.374 0 40 FEAB O=C1CN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCN1 24926140 XRSAOENVUPTEMK-UHFFFAOYSA-N 370.796 2.358 0 40 FEAB O=C(NC[C@H](O)C(F)(F)F)c1nc(OCC2CC2)c2ccccc2n1 96003984 NNIWDTMRVDHLIA-LBPRGKRZSA-N 355.316 2.072 0 40 FEAB O=C(CCS(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2 8325982 BNUYOCSCUJOPBM-UHFFFAOYSA-N 365.382 2.035 0 40 FEAB O=C(NCc1cc[nH]n1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 108347289 DMYNQCBIMXYCNS-NJAFHUGGSA-N 352.438 2.499 0 40 FEAB COc1cc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[nH]2)ccc1O 57525285 WZBFXPIRRCOCED-HNNXBMFYSA-N 367.409 2.496 0 40 FEAB CCc1nc(N2CCN(C(=O)C3CCCC3)CC2)c2c(n1)c(C)nn2C 28557611 JNJZQDSPARVWRM-UHFFFAOYSA-N 356.474 2.073 0 40 FEAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1 9939487 IXLZLXWOKSJALX-HZPDHXFCSA-N 372.446 2.332 0 40 FEAB COc1ccc(C2=NN(C(=O)CONC(C)=O)[C@H](c3ccco3)C2)cc1 58214809 CYWKXBHPLWWARL-INIZCTEOSA-N 357.366 2.034 0 40 FEAB O=C(COC(c1ccccc1)c1ccccc1)NCCN1CCOCC1 44999751 CVAHDQNSQHBYLL-UHFFFAOYSA-N 354.450 2.241 0 40 FEAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(Cl)c(Cl)c1 10507843 KSZMYSBFXADZPK-UHFFFAOYSA-N 370.221 2.436 0 40 FEAB CCOC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102897813 AMBMNTPTSBLUKW-IYBDPMFKSA-N 370.405 2.143 0 40 FEAB O=C(NCCC(=O)N1CCC[C@H]1c1nnc2ccccn12)c1ccccc1 29071796 PHAMYWONCVMHEY-INIZCTEOSA-N 363.421 2.213 0 40 FEAB CCN(CC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 36751492 XVKPAJSGZQRCKX-UHFFFAOYSA-N 363.277 2.181 0 40 FEAB O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N1CCOCC1 2623401 BSNKOCIWJWVPEW-UHFFFAOYSA-N 370.405 2.211 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2ccccc21 3398783 BTMXOMYSACEJCH-IBGZPJMESA-N 370.474 2.352 0 40 FEAB COc1cc(CNC(=O)Cc2csc(NC(=O)C(C)C)n2)ccc1O 48356352 BUZPRDZWMKZOPT-UHFFFAOYSA-N 363.439 2.311 0 40 FEAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 12858645 CKJIWRWCYXTPDH-OXJNMPFZSA-N 372.396 2.341 0 40 FEAB CC(C)CN1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 12810136 YTXMSHOWHJSWAU-UHFFFAOYSA-N 352.774 2.058 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(N2CCOCC2)nc1 12972386 ZMGZWKUCRKYDCV-UHFFFAOYSA-N 353.422 2.424 0 40 FEAB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F 13001720 ZJHRADXMZFQXPH-UHFFFAOYSA-N 353.327 2.096 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc2nsnc2c1 13691655 KDXGUVNVOQSRJB-UHFFFAOYSA-N 365.418 2.470 0 40 FEAB O=C(Nc1ccccn1)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13734504 BDSWLYUNTVOHAY-QGZVFWFLSA-N 367.405 2.099 0 40 FEAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 6366935 IOPLCMQCLNDQCK-JTQLQIEISA-N 362.407 2.350 0 40 FEAB O=C(COc1ccccc1)N1CCCN(C(=O)COc2ccccc2)CC1 6339919 YHCOSJSWJCROQN-UHFFFAOYSA-N 368.433 2.205 0 40 FEAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCOCC1 14085829 GPBKSINNWJKCFU-ZDUSSCGKSA-N 358.467 2.484 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 6477012 VCFUWTRNNWYHSP-UHFFFAOYSA-N 366.421 2.385 0 40 FEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1OC 6560756 PIUVLQCPQIWTMQ-OAHLLOKOSA-N 363.483 2.365 0 40 FEAB Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)c1 4971826 ZKOCLXJPSFMCKM-UHFFFAOYSA-N 350.382 2.060 0 40 FEAB O=C(CSc1nnc(NCc2ccco2)s1)NC[C@H]1CCCO1 7161638 XVJGCDNBSUPKFK-SNVBAGLBSA-N 354.457 2.131 0 40 FEAB Cc1[nH]nc(C(N)=O)c1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 68365928 VKFRLIPEZIJOMT-UHFFFAOYSA-N 368.393 2.460 0 40 FEAB CCC(CC)NC(=O)CNC(=O)c1ccccc1I 68518353 ZPIHIRVQPLGWMD-UHFFFAOYSA-N 374.222 2.326 0 40 FEAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCCCCC1 7856834 JQXSVJJGGOYFIP-ZDUSSCGKSA-N 353.440 2.038 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NOCc3ccccc3)ccc2N1S(C)(=O)=O 8097014 CJYWQHNUIZEGTH-CYBMUJFWSA-N 360.435 2.259 0 40 FEAB O=C(O)[C@@H]1COCCN1C(=O)c1cc2cccc(Br)c2o1 88373703 PDPNKUGJAUEHSH-JTQLQIEISA-N 354.156 2.121 0 40 FEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)CC2(CCCC2)C1=O 8708417 DXCZVATTWQYRIH-UHFFFAOYSA-N 369.421 2.070 0 40 FEAB CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 8762343 LCZORLZVPAITTN-UHFFFAOYSA-N 361.423 2.173 0 40 FEAB Cc1ccc(-c2csc3ncnc(N4CCN(CCO)C(=O)C4)c23)cc1 72307588 UHJKIBUTMMMJCC-UHFFFAOYSA-N 368.462 2.308 0 40 FEAB CC(C)(CC(=O)O)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 95970146 APCAHXNGYZXENW-UHFFFAOYSA-N 365.407 2.237 0 40 FEAB CC(=O)NCCNC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 27672152 HRKNKQZRZBJYBN-UHFFFAOYSA-N 358.423 2.434 0 40 FEAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 306137395 QVGNWNQHLQSTCT-CVEARBPZSA-N 363.421 2.428 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1C 408590584 HWKNNQFWCZVKNI-CQSZACIVSA-N 354.472 2.073 0 40 FEAB Cc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)s1 306133584 MQFPOPHUOXDBAV-UONOGXRCSA-N 371.510 2.235 0 40 FEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1COc1ccc(F)cc1 510644484 IOINHYGCLSNVBN-OAHLLOKOSA-N 367.446 2.408 0 40 FEAB CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 122532045 BVEHJSITKLLCJO-ZIAGYGMSSA-N 357.376 2.326 0 40 FEAB Cc1cccc(CN2CC3(CC[C@@H](CNC(=O)N4CCCC4)CO3)C2)n1 306132661 LOORHFROKRUBRO-KRWDZBQOSA-N 358.486 2.176 0 40 FEAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)nn12 32088190 GAAGDYOSIGIYIB-OAHLLOKOSA-N 368.416 2.105 0 40 FEAB COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218096940 BHPOCJHVOWCPCE-CEXWTWQISA-N 361.463 2.226 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC(C(C)C)C(C)C)O2 38849205 CZBNXNNHDQQSMC-INIZCTEOSA-N 368.499 2.319 0 40 FEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 40153769 TVRXGJWMFNPKEM-LBPRGKRZSA-N 360.414 2.233 0 40 FEAB Cn1nc(C(=O)NCc2cnn(-c3ccccc3)c2)c2ccccc2c1=O 40037598 GFMCSKPCWDWFHH-UHFFFAOYSA-N 359.389 2.049 0 40 FEAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947880 WILXQKKHEHUQRE-DNVCBOLYSA-N 372.446 2.238 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)NCc3nnc(C4CC4)n3C3CC3)c2n1 135837122 DXRVYODYLJYVML-UHFFFAOYSA-N 365.441 2.388 0 40 FEAB COc1cncc(O[C@H]2CCN(C(=O)c3ccc(Br)o3)C2)n1 225393404 JMSAPJDKYMZXKL-VIFPVBQESA-N 368.187 2.134 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107281 FCRJBGQZSSVTOB-XLIONFOSSA-N 353.422 2.457 0 40 FEAB COCCN1CC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96078783 JACDUZFWULLPMS-UHFFFAOYSA-N 358.467 2.179 0 40 FEAB Cn1nnc2c1CCN(CC1CCOCC1)[C@@H]2COCc1ccccc1 96060541 GFIKSFPSFFWDRA-LJQANCHMSA-N 356.470 2.358 0 40 FEAB CCC(=O)N1CC[C@@]2(COCc3c(C)nc(NCc4ccco4)nc32)C1 96244625 BQSLOOZTGHPASE-IBGZPJMESA-N 356.426 2.400 0 40 FEAB COc1ccc(Cn2nc(C)c(CN(C)Cc3nncn3C)c2C)cc1 585084647 BCNYVVGANWKVON-UHFFFAOYSA-N 354.458 2.317 0 40 FEAB COC[C@@H]1CC2(CCN(Cc3ccsc3)CC2)CN1S(C)(=O)=O 96220457 QXAQMQBAPDPTAC-HNNXBMFYSA-N 358.529 2.011 0 40 FEAB O=S(=O)(C[C@H]1CCOC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 246744727 RHFXPEIWGXKDOF-DOTOQJQBSA-N 357.447 2.173 0 40 FEAB CN(C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)C1CC1 248143167 UTNKAJWVAABOBW-RTBURBONSA-N 357.498 2.212 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@H](Cc2cnc(NC)cn2)CC1 257262289 LKVWCSAJGCOPMN-HNNXBMFYSA-N 356.474 2.149 0 40 FEAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](Oc2ncccc2F)C1 251996588 KYVPIQCRGMVATO-CQSZACIVSA-N 371.372 2.126 0 40 FEAB Cc1cnc(-c2ccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)s1 257205726 BAIZVCPOCSCZNZ-CQSZACIVSA-N 366.512 2.499 0 40 FEAB CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1ccc(F)cc1)C(=O)O 260677476 GDJRBNPJPSRXKJ-OAHLLOKOSA-N 355.362 2.427 0 40 FEAB CCCOc1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cc1 90608850 BEJWACSSFFOROY-UHFFFAOYSA-N 355.456 2.046 0 40 FEAB CO[C@@H]1CN(Cc2ccc(CN3CCCCC3)cc2)C[C@H]1c1cnn[nH]1 621316114 BYFOMOILAWAVBD-AZUAARDMSA-N 355.486 2.405 0 40 FEAB O=C(Cn1cc(C(=O)O)cn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 630115094 BUCPEUSBZDQGOT-AAEUAGOBSA-N 353.300 2.272 0 40 FEAB Cc1nnc(CN(C)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)s1 661126163 LTZZSDCSSKEVQN-SWLSCSKDSA-N 373.482 2.178 0 40 FEAB Cc1noc([C@H](C)N2CCN(C(=O)c3cnc4ccccc4c3)CC2)n1 297368988 IXQGMJYPKTTWPV-ZDUSSCGKSA-N 351.410 2.445 0 40 FEAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3ccc(O)nc3)[C@H]2O)c1 585287192 UDVKEJMVLIDHNY-LSBZLQRGSA-N 356.422 2.434 0 40 FEAB C[C@H](NC(=O)N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccon1 685940018 LURDMOJJLANYAV-PKWAYOAASA-N 350.369 2.459 0 40 FEAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(CC(=O)O)cc1)C2 630233402 SCQKFGVZKMXAAD-INIZCTEOSA-N 355.390 2.190 0 40 FEAB NC(=O)N[C@H](CC(=O)Nc1ccc(-n2cccn2)nc1)c1cccs1 44249459 KNSNAQOQTRUKBS-GFCCVEGCSA-N 356.411 2.067 0 40 FEAB CCn1c(CN(CCC(F)(F)F)C[C@H](O)CO)nc2c(F)cccc21 75109335 VBZASGIBSAPYRM-NSHDSACASA-N 363.355 2.303 0 40 FEAB CCCc1ccc(C(=O)COC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1 5449177 MCLMRSKSZMIFNR-UHFFFAOYSA-N 374.437 2.476 0 40 FEAB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O 5706613 YNALRCYEYVXNKE-HZPDHXFCSA-N 363.458 2.098 0 40 FEAB CCOC(=O)C1=C(COC(=O)[C@H](CC)c2ccccc2)NC(=O)N[C@H]1C 5837926 PYDQGLRIIKLBND-GXTWGEPZSA-N 360.410 2.242 0 40 FEAB CC(C)N1CCC[C@@H](CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 12199567 SUQBEFCQHMCGDR-ZDUSSCGKSA-N 365.861 2.485 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12336974 KAZWCTSPQMQJGS-OAHLLOKOSA-N 354.414 2.071 0 40 FEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCCCC1 12973345 GADBGJIUGSBXGI-INIZCTEOSA-N 350.484 2.316 0 40 FEAB COc1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 17073537 FIJMPRXDDDDTNH-PJQZNRQZSA-N 355.774 2.174 0 40 FEAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 18074961 DUJCHSQNTOCEOU-UHFFFAOYSA-N 362.451 2.054 0 40 FEAB COc1cc([C@H]2c3cc4c(cc3O[C@H](NN)[C@H]2C)OCO4)cc(OC)c1O 19168452 SWKDOMTZLKUFNX-UEFOCPSCSA-N 374.393 2.088 0 40 FEAB O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC(O)(c2cccnc2F)CC1 19402374 WHOIDXKDGXDGKF-UHFFFAOYSA-N 367.384 2.130 0 40 FEAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)N2C(=O)c2cnccn2)N1 19712110 IDSZWWHYQDPPKN-ZIFCJYIRSA-N 364.449 2.361 0 40 FEAB COc1ccc(CNC(=O)N[C@H]2CCN(c3nccs3)C2)cc1OC 206816750 OOKCETOTBLBCCD-ZDUSSCGKSA-N 362.455 2.238 0 40 FEAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCC[C@@H](C)C2)c1C 15866629 FZMKDNFKOQAIPF-GFCCVEGCSA-N 361.467 2.474 0 40 FEAB NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1 19374207 YDIQIUCVWUPUMG-QFIPXVFZSA-N 364.445 2.389 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)c1C 5212088 XZNLGQJKRZZAKN-ZDUSSCGKSA-N 350.415 2.222 0 40 FEAB CCn1nnnc1SCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 8877577 JMUBUMVLZQLXCC-UHFFFAOYSA-N 367.500 2.392 0 40 FEAB O=C1[C@H]2CN(c3nc4cnccc4s3)C[C@@H]2C(=O)N1c1ccccc1 1888890289 LLADBQSGKHZXQM-STQMWFEESA-N 350.403 2.317 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4ccsc34)C[C@H]2C(=O)N1c1ccccc1 1888890315 WWWCXHSIGMPFFT-CHWSQXEVSA-N 350.403 2.317 0 40 FEAB CCc1cc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)nnc1C 1888899213 LTAICPLROTVOHZ-UHFFFAOYSA-N 353.430 2.309 0 40 FEAB O=C(C1CCN(c2ncnc3c2CCC3)CC1)N1CCC(F)(F)CC1 1889096402 WRZZRIMKJRHSFW-UHFFFAOYSA-N 350.413 2.439 0 40 FEAB Cc1cc(C)cc(-n2nnnc2S[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 14184186 MYKNGAQOOMHTRS-DZGCQCFKSA-N 361.471 2.055 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238827301 FBGZOAZRWGMATF-SECBINFHSA-N 355.272 2.447 0 40 FEAB Cn1c(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cc2ccccc21 1565555375 ZJCXJDPZBABCRZ-GPMSIDNRSA-N 367.449 2.030 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1 1565544481 LSZKJGPOENEQET-ZFWWWQNUSA-N 365.437 2.354 0 40 FEAB O=C1COC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1Cc1cccc(F)c1 1565547556 KRJJHXSMKAKHDG-UHFFFAOYSA-N 371.412 2.188 0 40 FEAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 9035709 HRKLYVVDJGNEJX-LBPRGKRZSA-N 366.464 2.088 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 10253680 YOKIOVXNRRUFHL-UHFFFAOYSA-N 352.437 2.281 0 40 FEAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@@H]32)cn1 2055713244 LSAOIOWMNPINIQ-GDIGMMSISA-N 371.412 2.019 0 40 FEAB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1 22767127 QCRYFHLWXZTHRH-QGZVFWFLSA-N 365.524 2.015 0 40 FEAB Cc1cnc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)cn1 1775972562 KXDSPCDTLKINPZ-UHFFFAOYSA-N 363.421 2.047 0 40 FEAB COc1ccccc1C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127840 WJIROVMIIQYYIF-SFHVURJKSA-N 354.406 2.025 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn([C@@H]2CCOC2)c1 211124865 WNQLSUQIPOOKRJ-KGLIPLIRSA-N 350.419 2.183 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40159605 QCTRWQKGJFLYJD-HNNXBMFYSA-N 370.371 2.098 0 40 FEAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100886361 ARIRVMSWRDGEGN-WTKVQGEBSA-N 371.433 2.491 0 40 FEAB Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C1 32124392 SDXBHNNQUZOQOX-WMLDXEAASA-N 353.470 2.225 0 40 FEAB biogenic COc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)nc2CO)cc1 21149047 CPHMBUJRBBUBSN-UHFFFAOYSA-N 372.812 2.352 0 40 FEAB CC(C)CNC(=O)[C@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1 32797312 FSELARATLYJITJ-INIZCTEOSA-N 367.921 2.497 0 40 FEAB O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 32900016 HWOWENSELHTATR-CYBMUJFWSA-N 367.496 2.053 0 40 FEAB CC[C@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2c(cnn2C)c1=O 22278989 IVNBOQLHWAYKLC-HNNXBMFYSA-N 367.453 2.347 0 40 FEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3ccccc32)cc1 23714390 LMICSGJTBIOIIR-UHFFFAOYSA-N 374.462 2.295 0 40 FEAB Cc1cnc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)s1 47720488 QXYDMBHWPKEXJZ-UHFFFAOYSA-N 354.457 2.024 0 40 FEAB Cc1[nH]c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(C)c1C(=O)OC(C)C 78026099 HADCVQSPGWJRSV-HNNXBMFYSA-N 362.348 2.336 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCC[C@H]4C)c(=O)c23)C1 1331889 GCARXHKXSCECOY-NWDGAFQWSA-N 360.483 2.379 0 40 FEAB CCN1C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)c2ccoc2)Oc2ccccc21 106105307 LOMMSZABWXPZJS-GOEBONIOSA-N 371.437 2.144 0 40 FEAB O=S(=O)(CCc1ccccc1)CS(=O)(=O)CCc1ccccc1 1681973 NNMHIDREBLVABS-UHFFFAOYSA-N 352.477 2.259 0 40 FEAB C[C@H](CN1CCOCC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 96010303 NCYLKKSRUGPTIV-QGZVFWFLSA-N 355.434 2.186 0 40 FEAB C[C@H](CC(=O)NCCN(C)C)CC(=O)Nc1cccc(Br)c1 4691046 JEEXGNCMWUUIBC-GFCCVEGCSA-N 370.291 2.482 0 40 FEAB C[C@H](c1ccccc1)N1CC[C@H](NC[C@H]([C@H]2CCOC2)N2CCOCC2)C1 108095148 MEFCXFLNGHCPLT-RYFAJOAYSA-N 373.541 2.149 0 40 FEAB NC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 27441535 UOAAKNKDLUUNNH-UHFFFAOYSA-N 355.413 2.319 0 40 FEAB C[C@H](C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)n1cncn1 58179502 ZLLGSGZPJIWQOG-CYBMUJFWSA-N 356.405 2.460 0 40 FEAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)Nc1sccc1C(N)=O 58290469 KVZPQOUCOQANSA-ZDUSSCGKSA-N 361.467 2.493 0 40 FEAB COc1ccc(-c2n[nH]c(NC(=O)c3ccc4[nH]nnc4c3)n2)c(OC)c1 58330640 HBEYVINRIBNFRT-UHFFFAOYSA-N 365.353 2.013 0 40 FEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102593076 UKPDNAJAMSQXGW-ZJMHZOEWSA-N 350.418 2.295 0 40 FEAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 28255467 KVJZBDXENHZDBM-AWEZNQCLSA-N 351.406 2.346 0 40 FEAB Cc1cnc(C(=O)NCc2cccc(NC(=O)c3cnc(C)cn3)c2)cn1 60347530 WLRYDRULZBFXMB-UHFFFAOYSA-N 362.393 2.066 0 40 FEAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101154404 ANFAOSQMAXJMSD-YXUGBTPSSA-N 369.417 2.060 0 40 FEAB O=C(NCCc1ccccc1)c1cc(Br)ccc1-n1cnnn1 12388945 MSDSEETXJRPMSQ-UHFFFAOYSA-N 372.226 2.397 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)OC 12764430 FGGYQYREDIJGNG-CMPLNLGQSA-N 374.532 2.402 0 40 FEAB COC[C@H](C)n1c(SCC(=O)NCC(C)C)nc2ccccc2c1=O 3590440 MWKDADHVHMKEST-ZDUSSCGKSA-N 363.483 2.468 0 40 FEAB C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 63193912 ABGYGNPAZDASEX-JOYOIKCWSA-N 365.268 2.479 0 40 FEAB Cc1ccc(C(C)C)c(OCC(=O)Nn2c(=O)[nH]c3ccccc3c2=O)c1 3903548 PVVSOAXAQGINPL-UHFFFAOYSA-N 367.405 2.271 0 40 FEAB COc1ccc(CNC(=O)COC(=O)Cc2ccccc2C)cc1OC 5086361 NYPAMCOOVMOOCA-UHFFFAOYSA-N 357.406 2.414 0 40 FEAB COc1cc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2c1OCCO2 14183717 KJAMKTRLCSBHJN-GORDUTHDSA-N 367.361 2.288 0 40 FEAB CN(CC1CC1)C(=O)CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 83403998 GGJHUELKOFZUEE-QGZVFWFLSA-N 355.482 2.471 0 40 FEAB CCOC(=O)C1=C(COC(=O)C2CCC2)NC(=O)N[C@@H]1c1ccccc1 5507469 MWSJTNAOSIEYDW-MRXNPFEDSA-N 358.394 2.201 0 40 FEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1 4895599 TUWPIHZQSUQKOI-UHFFFAOYSA-N 367.449 2.163 0 40 FEAB Cc1cccn2c(=O)cc(COC(=O)c3cc(=O)[nH]c4ccccc34)nc12 6975653 JTPAZCCIJCOHKE-UHFFFAOYSA-N 361.357 2.201 0 40 FEAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67287637 JHMGZTYAWXAJCP-GOSISDBHSA-N 373.453 2.352 0 40 FEAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)N1CCOCC1 7607561 LMUFRBWZAKHWCT-LLVKDONJSA-N 374.268 2.111 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7779268 YBDMHUYMTHLSKY-ZDUSSCGKSA-N 359.426 2.383 0 40 FEAB CSc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1 8206547 GAXVLCAOJJLIIU-UHFFFAOYSA-N 363.511 2.079 0 40 FEAB Cc1cccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 17317412 MQNNBGHGBSZLFZ-UHFFFAOYSA-N 360.479 2.306 0 40 FEAB CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 8514587 DGUJSDOVFYFOGN-UHFFFAOYSA-N 358.769 2.163 0 40 FEAB CCCCN(C(=O)c1ccc(Cl)o1)c1c(N)n(CCC)c(=O)[nH]c1=O 8849097 UWAUTNQCXLAMLD-UHFFFAOYSA-N 368.821 2.222 0 40 FEAB Cn1nc(CC(=O)NCc2ccc(OC(F)F)cc2)c2ccccc2c1=O 8921559 KJVHPJSKAHWBDO-UHFFFAOYSA-N 373.359 2.394 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 9156272 NGZWWNABKJCVHR-LLVKDONJSA-N 366.414 2.233 0 40 FEAB NC(=O)c1cn(C2CN(C(=O)c3ccc(C4CCCCC4)cc3)C2)nn1 95997861 LUOCXZOKWRKQAC-UHFFFAOYSA-N 353.426 2.122 0 40 FEAB Cn1cc(N2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cn1 74393910 AAXKTLQRIQWILU-UHFFFAOYSA-N 353.470 2.373 0 40 FEAB C[C@]12COC[C@@H]1CN(C(=O)c1nc(-c3ccccc3)n3c1COCC3)C2 1550687076 HZROPUIFKIIBCK-YWZLYKJASA-N 353.422 2.189 0 40 FEAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306145154 ZZTFJWBULFUDFI-CABCVRRESA-N 369.444 2.004 0 40 FEAB O=C(CNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)N1CCCCC1 527679289 NYCXODGBDUKFGK-UHFFFAOYSA-N 369.469 2.012 0 40 FEAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2nncn2C)CC1=O 120984932 HZFZSESTZGUCQF-RDJZCZTQSA-N 367.453 2.094 0 40 FEAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217534307 BBTWWXBPIQYDDN-GFCCVEGCSA-N 358.460 2.156 0 40 FEAB CNCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 72383025 FHFZEPOXCBMMRR-INIZCTEOSA-N 354.458 2.006 0 40 FEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 223291584 RQIJWQZXCBOZRZ-LFYBBSHMSA-N 373.434 2.205 0 40 FEAB COc1ccc(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223323577 DJJQOGJLORVCPM-UHFFFAOYSA-N 368.798 2.262 0 40 FEAB CS(=O)(=O)N[C@H](CC(=O)NCc1cccnc1)c1ccc(Cl)cc1 225950335 IOIGTLRMFCSGRQ-OAHLLOKOSA-N 367.858 2.032 0 40 FEAB O=C(c1cccs1)N1CCOC2(CCN(C[C@H]3CCOC3)CC2)C1 96158933 DHJGJQKBIUIDFD-OAHLLOKOSA-N 350.484 2.092 0 40 FEAB CN1CCC[C@@H](CNCc2cccc3c2OCCO3)[C@@H]1c1cncn1C 583616671 ZBLCGJMYHYAJNN-HNAYVOBHSA-N 356.470 2.364 0 40 FEAB c1csc(CN2CCO[C@@]3(COCCN(Cc4ccncc4)C3)C2)c1 96229442 KRAVOCAZNCUHIB-LJQANCHMSA-N 359.495 2.247 0 40 FEAB Cc1nn(C)c2nc([C@]3(C)CCCN(C(=O)c4cncnc4)C3)ccc12 257329491 XKEQZFUHIZSEMP-LJQANCHMSA-N 350.426 2.261 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257227801 FQYKKRVSRGRTDX-CQSZACIVSA-N 350.426 2.357 0 40 FEAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccno1 253599415 PPKXBUMIEXXYEF-AWEZNQCLSA-N 361.467 2.456 0 40 FEAB Cc1ccc2nc(C(=O)NCc3ccnc([C@H]4CCCOC4)n3)cn2c1 257212091 CBXOKDQRVBDBKK-AWEZNQCLSA-N 351.410 2.257 0 40 FEAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260907918 UEKGKLZBDPJPLW-CHWSQXEVSA-N 372.487 2.019 0 40 FEAB CC(C)O[C@]1(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CCOC1 1616037385 AGEZATGKMCZACF-QGZVFWFLSA-N 352.435 2.069 0 40 FEAB COC[C@@]1(C(N)=O)CCCN1Cc1ccc(N(C)c2ccccc2)nc1 643763554 CUMDEDJVWPWOBK-HXUWFJFHSA-N 354.454 2.316 0 40 FEAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)ccc1-n1cnnn1 647007316 BNVWTUGOIWTMAB-OAHLLOKOSA-N 366.400 2.119 0 40 FEAB O=C(NCC(=O)N1CCOc2ccccc21)c1cnc(O)c2ccccc12 1155060548 LYJMZJZNGIDBBI-UHFFFAOYSA-N 363.373 2.096 0 40 FEAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@H]([C@@H]2CCCCO2)C1 660971090 JKLMKAMCOAUAOF-IRXDYDNUSA-N 372.531 2.192 0 40 FEAB CCC[C@H](O)[C@@H](CO)NC(=O)CCCc1cccc(Br)c1 665642862 ONDXFHHLVYWHPX-CABCVRRESA-N 358.276 2.410 0 40 FEAB Cn1cc(-c2ncccc2C(=O)N2CCC(c3ccnn3C)CC2)cn1 668962534 BZQHCJNVMHWPNZ-UHFFFAOYSA-N 350.426 2.235 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)c(C)c1 96097332 WKGWSKGITFRTNO-OAHLLOKOSA-N 366.439 2.339 0 40 FEAB O=C(Cc1ccc2c(c1)OCO2)N1CC(N2CCc3sccc3C2)C1 390826839 CEXWNZCKRKZNSW-UHFFFAOYSA-N 356.447 2.288 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 585095672 AQTHIZOHWYXZOS-UKPHBRMFSA-N 372.494 2.233 0 40 FEAB CCCCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C 585098180 QWLGMKISMQUPRD-HNNXBMFYSA-N 369.469 2.230 0 40 FEAB Cc1ccc(C(=O)N2CCn3c(COc4cccnc4)nnc3[C@H]2C)o1 585098058 SWOXHYPYLIUFCL-CYBMUJFWSA-N 353.382 2.371 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc21 57633910 FUTVAIDKVFVQNJ-UHFFFAOYSA-N 358.419 2.251 0 40 FEAB Cc1ncnc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1F 1775975735 MYJMZMYPRFPYAP-UHFFFAOYSA-N 357.414 2.496 0 40 FEAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5241565 SKBNZBHAEAWQTP-ZBFHGGJFSA-N 370.405 2.049 0 40 FEAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H]4CCOC4)nn3cn2)cc1 12085178 HXFPAVIQQVTYRS-JSGCOSHPSA-N 367.409 2.014 0 40 FEAB Cc1c(C(=O)N(C)[C@@H](C)Cc2ccccn2)sc2ncn(C)c(=O)c12 12290400 WZKLPZQMMLGCPV-NSHDSACASA-N 356.451 2.402 0 40 FEAB Cc1ccc(CN(C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 14135232 YFNXSJWKXYGVCZ-UHFFFAOYSA-N 361.467 2.103 0 40 FEAB CCCCOC(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)OCCCC 17160795 RFNDXDCWEVTDGH-KYXFNPKGSA-N 372.414 2.093 0 40 FEAB C[C@H]1Cc2cc(CN3CCC(c4nnc5n4CCNCC5)CC3)ccc2O1 19709410 UCLKIWNFFAIONF-HNNXBMFYSA-N 367.497 2.127 0 40 FEAB O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2nnc3n2CCNC3)C1 19711044 NNXJWRYXHXXSGR-MRXNPFEDSA-N 371.460 2.249 0 40 FEAB CCn1cc(/C=C/C(=O)NC(=S)N(C)Cc2c(C)nn(CC)c2C)cn1 2741249 DEROVBKEDQGIBC-CMDGGOBGSA-N 374.514 2.283 0 40 FEAB CCOC(=O)c1ccc(CNS(=O)(=O)c2cc(C)ccc2OC)o1 3622682 ORGCXVIERHAJTE-UHFFFAOYSA-N 353.396 2.252 0 40 FEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)NC1CCCCC1 4853655 KBTILGPMGZNQTE-UHFFFAOYSA-N 371.459 2.478 0 40 FEAB COCC(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573486 GKAXOZJREVHJHS-UHFFFAOYSA-N 358.394 2.258 0 40 FEAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)CCc1ccccc1F 1614940194 IMVHTLLGQNHZPI-CQSZACIVSA-N 368.416 2.198 0 40 FEAB O=C1C[C@H](CNS(=O)(=O)c2cccs2)CN1Cc1ccc(F)cc1 9038273 JIEPPCAPBVYPAV-CYBMUJFWSA-N 368.455 2.214 0 40 FEAB COc1ccnc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 9571636 WANYBGGFKKCNLH-UHFFFAOYSA-N 366.204 2.459 0 40 FEAB COc1cccc(CNC(=O)CSc2ccc(NC(=O)C(C)C)nn2)c1 13702163 SBBLRJSCOYAAHZ-UHFFFAOYSA-N 374.466 2.488 0 40 FEAB O=C(NCC1CC1)C1(n2cccn2)CCN(CCc2ccccc2)CC1 2055782038 ASPCBQZAJWOINB-UHFFFAOYSA-N 352.482 2.443 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 32080988 KGGPBEVNUPQNII-CYBMUJFWSA-N 374.418 2.233 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)c1 32124419 GPKKQDPQIOLIKJ-INIZCTEOSA-N 366.377 2.374 0 40 FEAB biogenic COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1 20745073 KSJQFMVMSCEXRF-HNNXBMFYSA-N 363.377 2.476 0 40 FEAB COc1ccc([C@H](NC(=O)CCN2C(=O)CCC2=O)c2ccccc2)cc1 32768838 VSOVBEWVYNYEFR-OAQYLSRUSA-N 366.417 2.440 0 40 FEAB CCOC(=O)c1cccc(OC[C@H](O)Cn2ncc3ccccc3c2=O)c1 32907334 IHGUAEUQJDJCJK-MRXNPFEDSA-N 368.389 2.013 0 40 FEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@H](C)O[C@H](C)C1 32975494 YEGGAIALAMTOAD-BFQNTYOBSA-N 354.397 2.355 0 40 FEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 103978459 OYKLGUHFYCJSNR-IYBDPMFKSA-N 358.413 2.492 0 40 FEAB C[C@@H](OC(=O)CCCn1c(=O)oc2ccccc21)C(=O)NC1CCCC1 22835310 WLLTVPGKJDRYJS-CYBMUJFWSA-N 360.410 2.365 0 40 FEAB COc1cc(Br)c(S(=O)(=O)NCC2CC2)cc1OC 22960219 WTLVCUUKHGXJEI-UHFFFAOYSA-N 350.234 2.155 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 3609608 GWDCXBNNQFMTDO-UHFFFAOYSA-N 352.346 2.016 0 40 FEAB Cc1cc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)no1 25137398 RWBSAYSNBJSNCR-UHFFFAOYSA-N 352.350 2.098 0 40 FEAB Cc1cccc(NC(=O)Cn2nc(C)c(I)c2C)n1 1432172 VJAZMFKYZXUNGY-UHFFFAOYSA-N 370.194 2.447 0 40 FEAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 6817838 CQNYFPJBQOKZIF-UHFFFAOYSA-N 354.457 2.129 0 40 FEAB C[C@@H](OC(=O)COc1ccc(F)cc1Br)C(=O)NC1CC1 7430894 BVDYOFUSGKULPJ-MRVPVSSYSA-N 360.179 2.177 0 40 FEAB COC[C@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 7985785 ICQBUDFMBOWORM-AWEZNQCLSA-N 372.421 2.477 0 40 FEAB COc1ccc(C)cc1CN1CCN(c2cnn(C)c(=O)c2Cl)CC1 26082513 AOLXICZXNFUXRB-UHFFFAOYSA-N 362.861 2.073 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)o1 59576788 DICBWDVVNRFUMK-UHFFFAOYSA-N 366.443 2.286 0 40 FEAB NC(=O)[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1 57448293 DPWXNNBZWQEDEM-INIZCTEOSA-N 354.797 2.482 0 40 FEAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCc1cccc(Cl)c1 57447319 ZMLKAIMEMMMBAX-HNNXBMFYSA-N 373.906 2.343 0 40 FEAB Cn1cc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1C(N)=O 44760379 HLKTXWQZBUKUFI-UHFFFAOYSA-N 365.499 2.009 0 40 FEAB CCOc1cccc([C@@H](C)NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 58277545 WBIJDAGAMGEXLD-IUODEOHRSA-N 357.497 2.183 0 40 FEAB COc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1OC 9884107 LFVJPBKFVWCREX-UHFFFAOYSA-N 372.406 2.173 0 40 FEAB Cc1ccc(O)c(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1 58365299 LRSRSFYHLMBQBM-UHFFFAOYSA-N 366.414 2.477 0 40 FEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1COc2ccccc2O1 10815709 DAIRABQIQUDXIE-KRWDZBQOSA-N 363.377 2.454 0 40 FEAB CCN(CC)c1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 12543757 PCZFLARAVASFLB-UHFFFAOYSA-N 367.457 2.351 0 40 FEAB CCOCCOc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1 60084878 CILBEGLFGXCFBW-UHFFFAOYSA-N 364.467 2.360 0 40 FEAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](C(N)=O)C1 60793982 GKXJZIMOEGXXFH-AWEZNQCLSA-N 360.845 2.231 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@@H](c1ccccc1)C1CC1 46764746 REAWIEQYNZKJAN-INIZCTEOSA-N 356.451 2.483 0 40 FEAB CN1CCN(c2ccc(NC(=O)CCC(=O)c3cccs3)cn2)CC1 12613165 BDHBTSOJKMVIPN-UHFFFAOYSA-N 358.467 2.497 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 28050478 ZVBLHAFDJCEOBL-UHFFFAOYSA-N 365.499 2.344 0 40 FEAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12906928 GQEXGGWGZWVALD-MRVPVSSYSA-N 367.228 2.292 0 40 FEAB C[C@H](c1ccccc1)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12986359 QVVVYKFSHLJEQG-CQSZACIVSA-N 351.406 2.300 0 40 FEAB COc1ccc(CCNC(=O)COc2ccc(OC)cc2C(=O)O)cc1 13086398 WDVMCRYCAMSMMS-UHFFFAOYSA-N 359.378 2.140 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(F)c2)Oc2ccccc21 38851091 DZLZDDCTIWOVMS-MRXNPFEDSA-N 364.398 2.382 0 40 FEAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCc2ccccc2)c2ccccc21 4046575 DNKSFLNQEAVKQT-QFBILLFUSA-N 350.374 2.163 0 40 FEAB biogenic CCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 22274706 CYHJOLFCXAXFTO-UHFFFAOYSA-N 362.451 2.335 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19881338 VBETUVKUMXQCFI-UHFFFAOYSA-N 358.463 2.396 0 40 FEAB Cc1ccc(-n2nc(C)c(C(=O)Nc3cccc(-n4cnnn4)c3)n2)c(C)c1 6881267 SVGIOMUKHPPNQA-UHFFFAOYSA-N 374.408 2.421 0 40 FEAB CC(C)c1ccc(-c2nnn(CC(=O)Nc3sccc3C(N)=O)n2)cc1 7061106 OPCMCGDJNALWCZ-UHFFFAOYSA-N 370.438 2.263 0 40 FEAB O=C(CNC(=O)Cc1ccc(Br)cc1)NCc1ccco1 7952373 UIGYRLSICPEKQC-UHFFFAOYSA-N 351.200 2.017 0 40 FEAB CCOC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2cccc(F)c2)n1C 8260813 OSSFDJFEAREKBF-SNVBAGLBSA-N 366.418 2.179 0 40 FEAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)s1 8878841 XYNCSNRYRVBXKG-UHFFFAOYSA-N 373.413 2.102 0 40 FEAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)C1CC1)C(F)(F)F 9184372 PWYBKPNUMLHWMS-INIZCTEOSA-N 374.359 2.046 0 40 FEAB Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(C)CC2)cc1C 22938341 CNFAPFCIDFMHEA-LJQANCHMSA-N 371.481 2.380 0 40 FEAB O=C1NC(=O)[C@H](Cc2nc(-c3ccccc3OCc3ccccc3)no2)N1 95462723 NOBGRYLPJNDQCJ-AWEZNQCLSA-N 364.361 2.066 0 40 FEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(Br)ncc1N 95466512 NQLLRDNSCRCQBV-NXEZZACHSA-N 370.247 2.373 0 40 FEAB CCOC(=O)C1CCN(S(=O)(=O)Nc2cccc3[nH]ccc23)CC1 75093704 RSWULCXEJRVCJA-UHFFFAOYSA-N 351.428 2.100 0 40 FEAB CC(C)N1[C@H]2CN(Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O 306134916 OBPMUUIFUQFPIK-DLBZAZTESA-N 373.478 2.126 0 40 FEAB O=C(NCCc1ccccc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 38884348 ISQMIRMXYQIJHQ-UHFFFAOYSA-N 351.381 2.403 0 40 FEAB Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2c1cnn2C(C)(C)C 36665569 FRXBMGMYLYFTMB-UHFFFAOYSA-N 357.389 2.434 0 40 FEAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)CC1 36634006 DRPFHUYIXNNWCY-INIZCTEOSA-N 373.453 2.018 0 40 FEAB COCCCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72339033 ARUMTAYSTDBRDZ-LJQHDNKASA-N 372.465 2.484 0 40 FEAB O=C(NCc1cnn2ccccc12)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 75162859 YWLRDTAEVDXOFW-UHFFFAOYSA-N 361.361 2.383 0 40 FEAB COc1cccc(N2CCN(C(=O)Nc3ccc(OC(C)C)nn3)CC2)c1 577636790 QOMPYQIXOXBJBE-UHFFFAOYSA-N 371.441 2.627 0 40 FEAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1cccc(F)c1)CCC2 96259346 XHYRDZUFQAACRN-UHFFFAOYSA-N 370.428 2.120 0 40 FEAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)N3CCCC3)C2)C1 96225214 FGQQXWIXZMVNJX-LJQANCHMSA-N 356.426 2.452 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 96047058 GSZCTAAQFHCHNW-HXUWFJFHSA-N 350.422 2.245 0 40 FEAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccc1F)CC2 96260317 QJLHNOMIUZFWEY-UHFFFAOYSA-N 356.445 2.247 0 40 FEAB O=C(c1cccc(F)c1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247824917 ISIMAJDVZQMXPC-CQSZACIVSA-N 356.401 2.349 0 40 FEAB CCn1cc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cn1 249688110 HXZBQEBQYTWJRD-KRWDZBQOSA-N 351.516 2.406 0 40 FEAB COc1ccc(CC(=O)N2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc1 247920718 OEUYLDHABXFSQK-GOSISDBHSA-N 368.481 2.189 0 40 FEAB COCCN1C(=O)CCC[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]21 257208686 BNFJJUJKLSCLND-JKSUJKDBSA-N 350.484 2.167 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)c3ccncn3)C2)ncn1 257301210 RXKPYTZEZJBDPN-CQSZACIVSA-N 364.409 2.243 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@H](Cc3nccnc3N(C)C)C2)cs1 257335925 YMLPLSQGOCRROW-CQSZACIVSA-N 359.499 2.331 0 40 FEAB COCC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 257240995 HWEGFGLRFSXAPM-KBPBESRZSA-N 362.474 2.165 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cc4ccc(F)cc4[nH]3)CCO2)n1 257235820 GZQVAUAZJWJUAN-INIZCTEOSA-N 356.357 2.325 0 40 FEAB COc1ccc(C)cc1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257228624 FUPJMTTVJWDRES-SFHVURJKSA-N 355.438 2.196 0 40 FEAB C[C@H](N)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1 659525428 GKRAKEFUVKSXMO-GUYCJALGSA-N 352.438 2.093 0 40 FEAB CO[C@](C)(C(=O)O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 663062417 GBLXFKMAORZPLX-AWEZNQCLSA-N 357.288 2.319 0 40 FEAB O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1OC(F)F 673342916 LTTHRYXOKSXQOF-SECBINFHSA-N 367.801 2.496 0 40 FEAB O=C(CSc1ccncc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605334 JSBJAYJWCFKQLK-GFCCVEGCSA-N 350.831 2.297 0 40 FEAB COC(=O)Cn1cnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 72300963 GPBIPUQMEKUBFU-HWKANZROSA-N 355.181 2.410 0 40 FEAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCc1cc(F)cc2c1OCOC2 57267165 VXXDEXPXDFZSMU-SNAWJCMRSA-N 359.401 2.415 0 40 FEAB CC(C)CS(=O)(=O)C1CN(C(=O)C2(c3ccccc3)CCOCC2)C1 96121980 CLOPTBHCHJRFJN-UHFFFAOYSA-N 365.495 2.016 0 40 FEAB CCN1C(=O)[C@@H](OC(=O)c2cnn(C)c2C)C[C@@H]1c1ccc(OC)cc1 5007848 XPNVQRZNCXWKPB-SJORKVTESA-N 357.410 2.256 0 40 FEAB COC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)CC1 13668442 RAILPJUYINNCQT-SOFGYWHQSA-N 363.410 2.137 0 40 FEAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCc2ccccc21 15349952 KWFGWRVUGRFRGT-CYBMUJFWSA-N 359.451 2.114 0 40 FEAB C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 17851070 RAJVXQCZSLICTH-SNVBAGLBSA-N 370.377 2.426 0 40 FEAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc3ncnn23)cc1 19554225 HUTGXZSZJDXBIC-INIZCTEOSA-N 351.410 2.429 0 40 FEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cccnc2)C1 19562035 QIPZFNBFNCMKCV-FQEVSTJZSA-N 351.406 2.051 0 40 FEAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC3)nc(N)c21 19974101 ODAVMEZQEYEPFC-GFCCVEGCSA-N 366.425 2.032 0 40 FEAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 205779797 YSPCXZOXRUINIU-MDWZMJQESA-N 363.391 2.461 0 40 FEAB CCCS(=O)(=O)NC1CCN(Cc2c(Cl)cccc2C(=O)O)CC1 582909527 OFHDVZYMUNVFHH-UHFFFAOYSA-N 374.890 2.332 0 40 FEAB CCn1nnc2cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)ccc21 23056928 XNCLXMXWDUMJSA-UHFFFAOYSA-N 359.411 2.075 0 40 FEAB NC(=O)c1ccsc1NC(=O)COC(=O)CCC(=O)c1cccs1 3414122 ICBUIIKUERGJSW-UHFFFAOYSA-N 366.420 2.053 0 40 FEAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CC1 3543213 UXWULZVHBIMKSG-UHFFFAOYSA-N 352.847 2.418 0 40 FEAB O=C(OCC(=O)N1CCOCC1)c1ccccc1COc1ccccc1 5366576 JOJOULDOZXVQCY-UHFFFAOYSA-N 355.390 2.281 0 40 FEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1ccco1)N1CCCC1 6909597 XPGJPMXOIOPFEO-QGZVFWFLSA-N 366.421 2.012 0 40 FEAB O=C1C[C@@H](c2nnc(S)n2C[C@@H]2CCCO2)CN1Cc1ccccc1 1889110010 XRDDFFPPXPZVDE-CABCVRRESA-N 358.467 2.262 0 40 FEAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245231457 CYQBIBRVAZRZGH-SSZWKKLZSA-N 367.373 2.161 0 40 FEAB O=C1C[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1ccc(F)cc1 1614939409 PXDBIPQCMDHPIX-FQEVSTJZSA-N 355.413 2.476 0 40 FEAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cc(F)cc(Cl)c4)C3)nn12 1565523597 UBVUMXWFUFGIQR-UHFFFAOYSA-N 374.807 2.186 0 40 FEAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCCCC1 807108 LQXBTVZOBRMVHE-UHFFFAOYSA-N 369.400 2.124 0 40 FEAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NC[C@H]1CCCO1 4101976 LEJUMFURWWVPNS-CQSZACIVSA-N 369.450 2.179 0 40 FEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 4280317 RRUUDTNGCNGLNK-UHFFFAOYSA-N 363.395 2.207 0 40 FEAB COc1ccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC 8924592 LZEYBRIIZRFQIF-CQSZACIVSA-N 354.406 2.487 0 40 FEAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccno3)o2)c1 12234579 MVUWJARSGPPJJU-UHFFFAOYSA-N 362.367 2.159 0 40 FEAB COc1ccc2[nH]cc(CCn3ccc4c(cnc5nc(C)nn54)c3=O)c2c1 13638751 PFRYLRPXWPPGEJ-UHFFFAOYSA-N 374.404 2.480 0 40 FEAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(C)CC3)c(O)n2n1 22468361 VUDTXCMMKSSLFB-CQSZACIVSA-N 361.446 2.281 0 40 FEAB CC(=O)N1CCc2cc(C(=O)NC[C@H](C)Cn3nc(C)cc3C)ccc21 40121521 ZRMCOBCZYLHBRH-ZDUSSCGKSA-N 354.454 2.475 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)cs2)c(C)c1 51135530 DOQPOMNNPPVQNT-UHFFFAOYSA-N 354.453 2.068 0 40 FEAB COc1ccccc1CCNC(=O)CCc1nc(-c2ccccn2)no1 32699586 FXZDHGBAUBXFBH-UHFFFAOYSA-N 352.394 2.432 0 40 FEAB O=C(c1cccc(Cl)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 32667799 MYPZPSPKPIRQMC-LSDHHAIUSA-N 357.859 2.148 0 40 FEAB C[C@@H]1[C@@H](NC(=O)COC(=O)CNC(=O)c2ccccc2F)CCC[C@H]1C 102167924 ORDGUPMJGLJWMI-WWGRRREGSA-N 364.417 2.040 0 40 FEAB COc1cc(Br)c2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCNC2 34033244 AFUUXYKUROZLEN-LUFJJVMOSA-N 352.228 2.271 0 40 FEAB O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NC1CCCC1 1378429 MOMXHZDSWQLVMN-UHFFFAOYSA-N 362.430 2.378 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 78952541 CJIJWYKCUNUQPM-CHWSQXEVSA-N 352.394 2.382 0 40 FEAB O=C(CCNC(=O)c1ccccc1)OCc1cc(=O)oc2cc(O)ccc12 24842726 JIVMWNUCPHEUCM-UHFFFAOYSA-N 367.357 2.362 0 40 FEAB CCN1C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C2CCC2)Oc2ccccc21 106764220 VGBOLMPHTSGKIB-HOCLYGCPSA-N 359.470 2.037 0 40 FEAB COc1ccc(CN(C)C(=O)c2ccccc2NS(C)(=O)=O)cc1F 57027022 OQYDBAIPEZPONZ-UHFFFAOYSA-N 366.414 2.478 0 40 FEAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)c1 26379689 KOPQYKDITZOWLP-CQSZACIVSA-N 368.441 2.028 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc3ccccc23)NC(=S)N1 8692113 CKYAOVHGGIPVSJ-GOSISDBHSA-N 367.474 2.491 0 40 FEAB CCn1c(=O)n(C[C@@H](O)COCc2ccccc2OC)c2ccccc21 44348784 ZKXZJZWVKTWAPP-MRXNPFEDSA-N 356.422 2.409 0 40 FEAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)cn1 101323032 ZMOFJWJPVDBMGM-GJZGRUSLSA-N 371.462 2.395 0 40 FEAB O=C(CCc1nc2ccccc2s1)NCCC(=O)NCc1cccnc1 58175243 DDBNEBIXNGOOKH-UHFFFAOYSA-N 368.462 2.447 0 40 FEAB O=C(Nc1ccccc1O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 58192085 FRGFHQLEXPBDIM-LBPRGKRZSA-N 352.437 2.246 0 40 FEAB CCc1nnsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 58268596 AJTIWSKRNRJJPU-VXGBXAGGSA-N 361.471 2.039 0 40 FEAB COc1ccc2c(C)c(CCC(=O)NCCCC(=O)O)c(=O)oc2c1C 2104126 NWYUWPDBAUVJQV-UHFFFAOYSA-N 361.394 2.332 0 40 FEAB biogenic CC(=O)N1CCCN(CC(=O)NC[C@H](C)c2nc3ccccc3s2)CC1 58367482 OGCIJAGFKUKRFM-AWEZNQCLSA-N 374.510 2.070 0 40 FEAB CCc1nc(C(=O)NCCNC(C)=O)nn1-c1c(Cl)cccc1Cl 58342726 JJQCHWNKHNDHFD-UHFFFAOYSA-N 370.240 2.002 0 40 FEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 10454910 JCJNZRRROBTRGT-INIZCTEOSA-N 369.465 2.221 0 40 FEAB Cc1ccc(N)c(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 46279298 BGABLUOUEHNSKV-MRXNPFEDSA-N 367.449 2.471 0 40 FEAB O=C(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 2633424 WRKATYMQXPRCKH-UHFFFAOYSA-N 355.419 2.053 0 40 FEAB COC(=O)c1cscc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 95455626 AWQGQTUEQDWLFV-UHFFFAOYSA-N 355.393 2.342 0 40 FEAB COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 12750111 ONCVVKFNOYYXMR-RCBQFDQVSA-N 373.405 2.080 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)ccc1N1CCCC1=O 113949833 WGXYEQMPHUFYTO-UHFFFAOYSA-N 373.434 2.022 0 40 FEAB C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 12808776 XFQOXIMPAXQSNL-AWEZNQCLSA-N 354.406 2.455 0 40 FEAB Cc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)c(Cl)c1 21596146 RPMGJFFCUQKYBS-UHFFFAOYSA-N 352.851 2.418 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(-n2cnnn2)cc1 3445594 RRYVYKJLWBSIIR-OAHLLOKOSA-N 351.410 2.179 0 40 FEAB Cc1ccc(F)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 12975160 JBAQVXIOAGIDGO-UHFFFAOYSA-N 367.380 2.145 0 40 FEAB Cn1c(=O)[nH]c(=O)c2[nH]c(N(Cc3ccccc3)Cc3ccccc3)nc21 13116323 BAQYLSHBMZLMHZ-UHFFFAOYSA-N 361.405 2.157 0 40 FEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@@H](O)c1ccccc1 6659126 GWJFSDPDDYMKFZ-CXAGYDPISA-N 353.374 2.410 0 40 FEAB biogenic O=C(COC(=O)COc1ccc(Cl)cc1Br)NC1CC1 6928680 TXYWIPXHFHLFQW-UHFFFAOYSA-N 362.607 2.303 0 40 FEAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2N)n1 7530264 BBDWTOKMTRHJDO-UHFFFAOYSA-N 371.470 2.142 0 40 FEAB O=C(NCc1ccc(F)cc1)c1sccc1S(=O)(=O)NC1CC1 9501911 IOHWGRVYKDYKCN-UHFFFAOYSA-N 354.428 2.258 0 40 FEAB Cc1ccc2[nH]c(SCC(=O)N3CCN(c4ncccn4)CC3)nc2c1 8065577 OMLNFSJVXOKVTQ-UHFFFAOYSA-N 368.466 2.102 0 40 FEAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 8132000 MGYGPXIFJUHKJG-GFCCVEGCSA-N 354.472 2.444 0 40 FEAB CC(=O)Nc1nc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cs1 8275156 TTYIQWXIFQAHOR-UHFFFAOYSA-N 372.406 2.328 0 40 FEAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8376792 CZKOLWVJFFVOKM-LBPRGKRZSA-N 366.414 2.482 0 40 FEAB COC(=O)c1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 8395039 CORDCPVXHASSFF-UHFFFAOYSA-N 373.409 2.057 0 40 FEAB COc1ccc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 25594347 PKKJIRYNYZJEBJ-UGSOOPFHSA-N 364.467 2.116 0 40 FEAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)NC(=O)NC1CC1 8776584 RDAWWUTZLMCCTK-NSHDSACASA-N 359.455 2.353 0 40 FEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 9048353 VBNIWHFERLONLD-SNVBAGLBSA-N 368.789 2.304 0 40 FEAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3CO)cc(Cl)c2O1 89929850 KINRRRZPAGUWKN-UEKVPHQBSA-N 359.875 2.445 0 40 FEAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccc(F)cc1 69982212 PKJRPSPMXJHFGR-UHFFFAOYSA-N 368.397 2.220 0 40 FEAB CC[C@@H](C)[C@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)n1cnnn1 1565520479 SUQMHHWAOATFQX-YMTOWFKASA-N 373.442 2.467 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)OC)cc1)n2CC 32668282 ZFHLHXMPSLFICF-UHFFFAOYSA-N 370.409 2.160 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1 48332683 ZCZTWBNELZOTFR-UHFFFAOYSA-N 353.371 2.487 0 40 FEAB COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2cc(C)ccn2c1=O 40105242 VIIFAPYCBLPOSJ-UHFFFAOYSA-N 366.377 2.222 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 223953757 GMZHHVAKIZGBPY-UHFFFAOYSA-N 374.875 2.265 0 40 FEAB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCC#N)n1 44395327 MTYGYSVYXDUACG-VXLYETTFSA-N 355.423 2.238 0 40 FEAB Cc1noc(C)c1CN1CCN(c2ncnc3c2ncn3C2CC2)CC1 292435077 MEDHICMAQPVYHE-UHFFFAOYSA-N 353.430 2.088 0 40 FEAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915358 XSLSQODSMQCEFC-INIZCTEOSA-N 372.440 2.284 0 40 FEAB CCOC(=O)c1cnn2c(O)cc(COC(=O)Cc3ccccc3F)nc12 47311892 LVWGXFGLIPIXFM-UHFFFAOYSA-N 373.340 2.037 0 40 FEAB CN(Cc1ccccc1F)C(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225974856 FECCKHYTYVWEBR-UHFFFAOYSA-N 364.442 2.423 0 40 FEAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108170 KNUVPKWUWKSADI-KBXCAEBGSA-N 357.410 2.118 0 40 FEAB COc1cccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1 96259305 BTOXZQQCLCLUSU-UHFFFAOYSA-N 368.481 2.463 0 40 FEAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(N2CCCC2)C1 1255769304 BXBJZAGZPBHQEM-UHFFFAOYSA-N 350.362 2.054 0 40 FEAB O=C(c1ccncc1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96048676 ZCSWGWVPTJKXTC-FQEVSTJZSA-N 350.422 2.132 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 96218089 WZQDYRMUUKGCST-HXUWFJFHSA-N 353.470 2.362 0 40 FEAB Cn1cc(C(=O)N2CC[C@]3(CCC[C@H](CNc4ccccn4)O3)C2)cn1 96220632 LTHMYCPOMMZGCV-VQIMIIECSA-N 355.442 2.081 0 40 FEAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2 248132760 NRYJEZBKFSQIBX-OAHLLOKOSA-N 359.495 2.498 0 40 FEAB CCOc1ncccc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 257244374 IKZVXLMKIWYIHK-MRXNPFEDSA-N 356.426 2.053 0 40 FEAB Cc1nc([C@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NC1CC1 257227924 FROUDSXRMCIVEP-HNNXBMFYSA-N 356.470 2.031 0 40 FEAB C[C@]1(O)CN(C(=O)CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 257270750 MVNKJRSUMYBFFA-HKUYNNGSSA-N 351.418 2.373 0 40 FEAB CNC(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C(C)C 257218402 DCZVSJJWGRISQQ-LJQANCHMSA-N 370.497 2.158 0 40 FEAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 96378011 RWPWODONBYBSEZ-UHFFFAOYSA-N 370.430 2.475 0 40 FEAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(C)c2)OCCO)cc1 96337982 QHANSAFBTFXALZ-GOSISDBHSA-N 367.442 2.471 0 40 FEAB C[C@H](Sc1nc(CC(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)cs1)C(N)=O 1631035840 DQAGPISIKHGZAE-OYNCUSHFSA-N 365.484 2.137 0 40 FEAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCN(c2ccccc2O)CC1 635073425 VCTPJFWLZOTOBL-UHFFFAOYSA-N 367.327 2.474 0 40 FEAB Cc1ccc2ncnc(N[C@H]3CCCN(CCN4CCOCC4)C3)c2c1 641719785 WZSXRTRHIYGNMH-KRWDZBQOSA-N 355.486 2.147 0 40 FEAB COc1ccccc1CNC(=O)C(=O)NCc1ccccc1OC(C)C 298120864 UHPATQTYFOZETG-UHFFFAOYSA-N 356.422 2.415 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(C(=O)c4cccs4)C3)ccnc12 585182405 KJHGNABRLINTTJ-GFCCVEGCSA-N 369.450 2.122 0 40 FEAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)C(C)(C)C)C2)cc1 96120106 ZRSLDFDAYXBUIU-OAHLLOKOSA-N 352.456 2.073 0 40 FEAB CCN(CC)c1ccc(NC(=O)CSc2nc(=O)cc(N)[nH]2)c(C)c1 5009034 YJXIQBUQTNPLDY-UHFFFAOYSA-N 361.471 2.238 0 40 FEAB COc1ccc(N2C[C@@H](NC(=O)Cc3cccc(C)c3)CC2=O)cc1OC 5221736 WTHJLRGOAVGHJR-INIZCTEOSA-N 368.433 2.476 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1cccc(Cl)c1 12942548 PVQGMYLRENWWSV-UHFFFAOYSA-N 358.833 2.226 0 40 FEAB Cc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1 19217204 AJOZAFCMQVPZNC-OAHLLOKOSA-N 374.510 2.356 0 40 FEAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(-n2nc(C)cc2C)cc1 19659342 OIOMTFBGGYQMEV-GOSISDBHSA-N 354.454 2.159 0 40 FEAB COc1ccc(CCC(=O)N(C)Cc2cc([C@@H]3CCCNC3)nn2C)cc1 19709150 UOXURWPQOWVSQL-QGZVFWFLSA-N 370.497 2.487 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 19709498 NHEFOGRGUVSBMY-GOSISDBHSA-N 367.497 2.023 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 169680698 ZEJNZVAKHQAOSB-RRFJBIMHSA-N 353.397 2.378 0 40 FEAB CC(C)COC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 6326784 PCZQUUHHYXSFNV-YPKPFQOOSA-N 360.391 2.244 0 40 FEAB O=C(NCc1nc(C2CCOCC2)no1)c1ccc(C(F)(F)F)nc1 575615276 CRIAVQUVLBJTKB-UHFFFAOYSA-N 356.304 2.307 0 40 FEAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1F 1985892 VHDMSUVZJLDWEQ-OAHLLOKOSA-N 370.380 2.356 0 40 FEAB COc1ccc2nnc(C3CCN(C(=O)CCC(F)(F)F)CC3)n2n1 1888853012 PXJQYAXFZBZEDS-UHFFFAOYSA-N 357.336 2.181 0 40 FEAB COCC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 1142818963 MVNKQKYQNXEVDB-KRWDZBQOSA-N 365.817 2.062 0 40 FEAB Cc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)o1 1565554077 JKAWMVDWDHOQKY-UHFFFAOYSA-N 358.442 2.354 0 40 FEAB COc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc(OC)c1OC 12443008 DMRYISVCSWTAQS-UHFFFAOYSA-N 373.369 2.057 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)nc1 2055745575 KWLYRLYXVUWWCK-CQSZACIVSA-N 368.437 2.338 0 40 FEAB O=C(CC1(O)CCC1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 2055839592 WPTQGXKIPKDZCR-KRWDZBQOSA-N 360.454 2.053 0 40 FEAB COc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127839 WJIROVMIIQYYIF-GOSISDBHSA-N 354.406 2.025 0 40 FEAB O=C(NCCn1cnc(C2CC2)cc1=O)c1ccccc1Br 575603357 FIKIANRMLJHQBO-UHFFFAOYSA-N 362.227 2.313 0 40 FEAB CCCC1(CCC)NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O 22374532 JUSNBCHIOGPGDJ-UHFFFAOYSA-N 356.426 2.394 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)Cn1cnc2ccccc2c1=O 40113853 HIHMTQOGMRSEAX-UHFFFAOYSA-N 351.406 2.209 0 40 FEAB CCN1CCc2nc(NC(=O)c3ccc(Cn4cncn4)cc3)sc2C1 21296924 SKEDRMTYCUBUTK-UHFFFAOYSA-N 368.466 2.413 0 40 FEAB O=C(CNC(=O)c1ccccc1OC(F)F)NCCc1cccs1 41599224 VWUDWPIZHQJLCJ-UHFFFAOYSA-N 354.378 2.438 0 40 FEAB O=c1oc2ccccc2n1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22038667 BIADKFCRZJSJFE-UHFFFAOYSA-N 367.405 2.099 0 40 FEAB CC(=O)Nc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 22375310 LFCVVIPJWDANNU-UHFFFAOYSA-N 359.470 2.410 0 40 FEAB CCOC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 667924 MEILAUMSWBIUQG-UHFFFAOYSA-N 368.480 2.152 0 40 FEAB C[C@@]1(NC(=O)c2ccc(COCC(F)(F)F)cc2)CCS(=O)(=O)C1 22741224 AMJHSVWLVJQNSM-CQSZACIVSA-N 365.373 2.073 0 40 FEAB Cc1nnc(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)s1 22822319 UCELSXVWUMDMBR-UHFFFAOYSA-N 371.919 2.318 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1 841267 JMODSGYHVVYZGK-UHFFFAOYSA-N 350.415 2.398 0 40 FEAB CC1(C)SC[C@H](C(=O)N2CCC[C@@H]2C(=O)OC2CCCCC2)N1C=O 1761396 YJRSLMHFMDBVDB-HUUCEWRRSA-N 368.499 2.163 0 40 FEAB CCOc1ccc(NC(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 43555096 MSFZASFEZATMOO-UHFFFAOYSA-N 353.444 2.154 0 40 FEAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1Cc2ccccc2O1 26062161 JEPMWLLCDZGRMS-KRWDZBQOSA-N 358.419 2.070 0 40 FEAB CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 84801156 MHRUZQIRZXEJPS-HNNXBMFYSA-N 353.463 2.412 0 40 FEAB COc1ccccc1OCC(=O)NCc1cc(OC)c(OC)c(OC)c1 7885334 CAPOIVAMBNKGNX-UHFFFAOYSA-N 361.394 2.416 0 40 FEAB O=C(CCc1ccccc1)NC1CCN(C(=O)CCCn2cccn2)CC1 58004426 XPUGFGGCRJSZPP-UHFFFAOYSA-N 368.481 2.403 0 40 FEAB COc1ccc(CCN2CCN([C@@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 58190818 JVIHPIOTQDUDGW-INIZCTEOSA-N 372.469 2.179 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c1C 36386249 KQAQKUFDCXXAND-CQSZACIVSA-N 355.442 2.018 0 40 FEAB C[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ncnn12)Cn1cccn1 36618924 YRJFIWQGALYUOG-CQSZACIVSA-N 361.409 2.054 0 40 FEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSC(C)(C)C)cc1 20245687 RBQKQRRQYUOAJY-UHFFFAOYSA-N 373.544 2.191 0 40 FEAB O=C(CN1C(=O)N2CCN=C2c2ccccc21)Nc1ccc2c(c1)OCO2 57731408 CDTICBHHUAUYOX-UHFFFAOYSA-N 364.361 2.056 0 40 FEAB O=S(=O)(CCc1ccccc1)NC[C@H](c1ccccc1)N1CCOCC1 47497113 JEDUDCPUOGQFSK-HXUWFJFHSA-N 374.506 2.222 0 40 FEAB C/C=C/c1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)c(OC)c1 12865944 KDIPHNGPBFDCAV-SJDLMVEWSA-N 367.405 2.273 0 40 FEAB O=C(OC[C@H]1CC1(Cl)Cl)c1ccccc1CN1C(=O)CNC1=O 12883912 VMBFIEPGQCRWSV-SNVBAGLBSA-N 357.193 2.089 0 40 FEAB C[C@H]1CC(=O)NN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 13011360 QENSFGHYFJVNLB-WMLDXEAASA-N 351.406 2.279 0 40 FEAB O=C(COC(=O)c1ccc(F)cc1F)NC[C@H]1COc2ccccc2O1 5215776 ZWESUEVWVDGXMH-LBPRGKRZSA-N 363.316 2.078 0 40 FEAB O=C(/C=C/c1ccccc1OC(F)F)N1CCN(c2ncccn2)CC1 14077807 QNWOSGZCYLKHNT-VOTSOKGWSA-N 360.364 2.440 0 40 FEAB Cc1cccc(Oc2ccccc2NC(=O)Cn2ccc(=O)[nH]c2=O)c1 14160311 GKLXXLHTDJVDPY-UHFFFAOYSA-N 351.362 2.276 0 40 FEAB CCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 9448277 XCAVUKHBANJRBS-UHFFFAOYSA-N 369.421 2.271 0 40 FEAB CC(C)Cn1c(SCC(N)=O)nc2ccc(Br)cc2c1=O 7441348 MMYYGIAAQDJPOH-UHFFFAOYSA-N 370.272 2.392 0 40 FEAB CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860316 NPPFQNQGXLVMOA-UHFFFAOYSA-N 374.466 2.448 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 16619788 WNWSCEBYAAJKKZ-IAGOWNOFSA-N 369.417 2.371 0 40 FEAB Cc1ccc2c(CC(=O)NCCNC(=O)OC(C)(C)C)cc(=O)oc2c1 69492565 SVWJAKIGVXWFOF-UHFFFAOYSA-N 360.410 2.285 0 40 FEAB Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 91928906 LKGXPNYGWDECHT-ROUUACIJSA-N 358.442 2.296 0 40 FEAB COc1ccc(-n2nc(C(=O)N3CC[C@H](N4CCCC4)C3)cc2C)cc1 92390364 IFHUDFAOBBEIDR-KRWDZBQOSA-N 354.454 2.500 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 8752432 KQGWDRWLOGODND-HNNXBMFYSA-N 369.396 2.416 0 40 FEAB O=C1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)CCN1CCO 72307589 QDSLLUDYWMPFME-UHFFFAOYSA-N 372.425 2.138 0 40 FEAB O=C1NC(=O)c2cc(NC(=O)N3CCC(Cc4cccnc4)CC3)ccc21 95457611 POHQABIYLKFJFY-UHFFFAOYSA-N 364.405 2.452 0 40 FEAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)N1CCNC1=O 95469955 HYHKXOFKCUEQDW-MVWJERBFSA-N 370.327 2.292 0 40 FEAB CC[C@@H](C)CS(=O)(=O)NC(=O)c1ccc(OCc2nccn2C)cc1 95958731 SVWOJKWYWBGYQK-CYBMUJFWSA-N 365.455 2.105 0 40 FEAB CSc1nccn1-c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 75108197 XWVZQUIZUKRJPN-AWEZNQCLSA-N 354.439 2.451 0 40 FEAB CCCn1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c2ccccc21 89960709 DLEXOLJMMGUNRA-ZUOKHONESA-N 368.437 2.159 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408598138 XGEVMPKNKRWKON-ZIAGYGMSSA-N 362.451 2.239 0 40 FEAB COc1ccc(N2Cc3nn(Cc4ccc(F)cc4)c(=O)n3C2=O)cc1 1547200900 ANNJKZZGXATNOZ-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB CCN(CC)C(=O)COC(=O)c1ccccc1I 60503116 GIURPWDWLDUSRB-UHFFFAOYSA-N 361.179 2.316 0 40 FEAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)N(C)C1=S 409040208 SOKKFKRAOCXOKC-XFFZJAGNSA-N 354.815 2.223 0 40 FEAB CCOC(=O)[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218046680 WUDWCYMAKWHYLQ-ZIFCJYIRSA-N 359.447 2.195 0 40 FEAB Cc1cc(C)c2cc(C(=O)NC[C@H]3CCn4ncc(C(N)=O)c4C3)[nH]c2c1 565612003 FPQDRVQUWIKLSR-ZDUSSCGKSA-N 365.437 2.073 0 40 FEAB O=C(C1CCOCC1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72378048 DZNAWSAQSLUJCG-MRXNPFEDSA-N 368.441 2.490 0 40 FEAB CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181671 CUSHWRHSQWHSBQ-SJORKVTESA-N 362.426 2.444 0 40 FEAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96078616 OXEHXQSRDUHUHG-HNNXBMFYSA-N 350.484 2.070 0 40 FEAB CC(=O)N1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCOC1)c1ccccc1O2 96242685 SAPQKXYXFQKSKX-RDJZCZTQSA-N 358.438 2.044 0 40 FEAB Cc1cc(CN2CCC3(CC[C@H](C(=O)NCc4ccco4)O3)CC2)no1 96109998 DPCMIDKOGRDXHM-QGZVFWFLSA-N 359.426 2.406 0 40 FEAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 96225855 CHJBBAKLUAKFAC-KRWDZBQOSA-N 359.407 2.019 0 40 FEAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccsc1 247501619 QEFFCOUTEQOHSV-MRXNPFEDSA-N 374.510 2.233 0 40 FEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248141193 TZRBXQWYADTCCI-KRWDZBQOSA-N 369.469 2.201 0 40 FEAB COCCN1C(=O)C[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(C)c1 257271289 MXRRRMIKWHQDMV-QUCCMNQESA-N 367.449 2.242 0 40 FEAB Cc1nccc(N2CCC[C@H](c3cccc(C(=O)N4CCOCC4)n3)C2)n1 257323846 WMBFIPAQTPATCK-INIZCTEOSA-N 367.453 2.036 0 40 FEAB Cc1ncc(CN2CCN(C(=O)NCc3cn4c(n3)CCCC4)CC2)s1 264821672 XYMVRXVSNMQVCY-UHFFFAOYSA-N 374.514 2.012 0 40 FEAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc2nc[nH]c2c1 372223340 HAJPBMNNFQHWDQ-SNVBAGLBSA-N 364.331 2.209 0 40 FEAB CCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 621307425 UHSFHAAATLAIEY-QGZVFWFLSA-N 365.476 2.197 0 40 FEAB C[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CO1 668291986 ZVCFKVYDHAKGDB-JQWIXIFHSA-N 356.216 2.287 0 40 FEAB Cc1ccc(-n2nnc(C(=O)N3CCN[C@@H](c4ccncc4)C3)c2C)cc1 669725736 WLTMTFDHNGSKAH-GOSISDBHSA-N 362.437 2.066 0 40 FEAB COc1ccc(OC)c(C(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 1775973114 ABCUFRSPHCHWHL-GJZGRUSLSA-N 368.433 2.168 0 40 FEAB CN(C)C/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585289734 MOUNDSZHRXVKIA-VZIQEBCVSA-N 350.434 2.063 0 40 FEAB COc1nn2cc(Br)cnc2c1I 585139436 PXICRCBTWBIKHI-UHFFFAOYSA-N 353.945 2.105 0 40 FEAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 35269280 AEJFKEREVMKHCG-UHFFFAOYSA-N 352.866 2.358 0 40 FEAB O=C(Nc1cccc(-n2cccc2)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 79020041 LXSBXTRKFSODNI-MOPGFXCFSA-N 361.401 2.190 0 40 FEAB Cc1nc(Cn2cc(C(=O)NCCc3ccc(C(C)C)cc3)nn2)no1 582522237 ZSFUTDFIGRFXOF-UHFFFAOYSA-N 354.414 2.114 0 40 FEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1 5604101 MVLCNZSMGNNLEW-KXBFYZLASA-N 354.406 2.193 0 40 FEAB CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 5632968 TVRHFFMWZVUYHJ-DLBZAZTESA-N 362.470 2.376 0 40 FEAB Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)ccc1F 14707190 ZIPVFLMGSHQGTP-UHFFFAOYSA-N 365.430 2.177 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1 19173417 ZLOISOLPONONEC-UHFFFAOYSA-N 352.843 2.236 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)CCCc1nc(-c2ccccn2)no1 19581928 RIRKNADCQLVIHL-HNNXBMFYSA-N 357.458 2.397 0 40 FEAB Cc1nn(C)cc1-c1cc(C(=O)N(C)CCOc2ccc(F)cc2)n[nH]1 19718855 SSZZZVFRZBSOKA-UHFFFAOYSA-N 357.389 2.409 0 40 FEAB C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 249096736 MFRKEDVXPAXDLT-AKCHCHLHSA-N 372.469 2.396 0 40 FEAB Cn1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)n1 12525997 KLBIZJJWWDZYCD-UHFFFAOYSA-N 352.160 2.262 0 40 FEAB Cc1ccc(N2C[C@@H]3CN(c4cc(C(F)(F)F)nc(C)n4)C[C@H]3C2)nn1 1888853618 UKGSIRXTYBSKGP-CHWSQXEVSA-N 364.375 2.475 0 40 FEAB Cc1nc(SCc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138833 QGUDBZIFUGVETJ-UHFFFAOYSA-N 362.842 2.281 0 40 FEAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)c1ccccc1 4139816 PBNUJSDRTSLPTF-UHFFFAOYSA-N 363.352 2.058 0 40 FEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(NC(=O)N2CCOCC2)cc1 40266904 GCBFDQUWYPUAAL-UHFFFAOYSA-N 365.393 2.101 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccccc3)CC2)c1C 21005122 JUMVNJUYNKWUCQ-UHFFFAOYSA-N 355.438 2.376 0 40 FEAB O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)NC[C@@H]1CCCO1 103562782 KNUQOPGAJDBQKG-KRWDZBQOSA-N 370.453 2.211 0 40 FEAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 23078346 ZGOAROPFZCEWGK-UHFFFAOYSA-N 364.361 2.062 0 40 FEAB COC(=O)c1cn(-c2ccccc2NC(=O)COc2ccccc2)nn1 23172541 QPRHBKFXCNDJCM-UHFFFAOYSA-N 352.350 2.071 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 105443659 TWPNTZXFGGSERW-UHFFFAOYSA-N 356.403 2.155 0 40 FEAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 24476494 JZJFEDXHWZCYFH-INIZCTEOSA-N 355.442 2.323 0 40 FEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-n2ccnc2)nc1 24663310 LZABNTPELGKLPB-OAHLLOKOSA-N 350.378 2.179 0 40 FEAB CCS[C@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 78649619 ZFKSUBIXKMKFRJ-RDJZCZTQSA-N 374.510 2.241 0 40 FEAB COc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1OC 1387519 LBKMGNOFWYQPRX-UHFFFAOYSA-N 350.440 2.136 0 40 FEAB O=C1N[C@@H](c2ccncc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4140097 LOIPLWAYKJCXIZ-HEHGZKQESA-N 365.311 2.186 0 40 FEAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCC(O)CC1 56454018 GYICWDUKEZIFTD-UHFFFAOYSA-N 354.454 2.464 0 40 FEAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 7306275 XEAUOPXMMFZIIK-HNNXBMFYSA-N 367.810 2.469 0 40 FEAB Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57426485 LMNANJUZMHRQCR-UHFFFAOYSA-N 367.789 2.193 0 40 FEAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)OC)c(C)c2oc1=O 2092230 OKTSBXKLUFYHKT-UHFFFAOYSA-N 362.378 2.457 0 40 FEAB biogenic CNC(=O)c1ccn(-c2ccc(NC(=O)NCCCOCC(C)C)cc2)n1 58329760 YUCWHMUBAROCIP-UHFFFAOYSA-N 373.457 2.416 0 40 FEAB CCCCC[C@@H](C)NC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(C)on3)C[C@@]23C=C[C@H]1O3 108234319 GHSWGMQDPLXLKZ-HQAMDYDRSA-N 373.453 2.354 0 40 FEAB COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 26455887 RAJUCPPXTNDBFL-GOSISDBHSA-N 373.453 2.352 0 40 FEAB COCCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 47199434 BHFGCVJEPRHIEY-UHFFFAOYSA-N 354.472 2.064 0 40 FEAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O 12602291 IDIHCUCFVLOKBR-UHFFFAOYSA-N 353.421 2.256 0 40 FEAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccc(Cl)cc2)c1 102013347 PZOLHLTWVGDAPM-VGWMRTNUSA-N 357.797 2.252 0 40 FEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccncc1 57280236 NTGGNAMKMOTTJB-GFCCVEGCSA-N 359.451 2.375 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1NCc1ccco1 3443787 QYMJJPTVEKXLPA-LBPRGKRZSA-N 359.382 2.283 0 40 FEAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483917 ASCKTTUBQHECIB-UHFFFAOYSA-N 367.434 2.482 0 40 FEAB CCn1ncc2c(C(=O)NCCNC(C)=O)cc(-c3cccs3)nc21 27671933 QEBYUKFZIBGVMX-UHFFFAOYSA-N 357.439 2.046 0 40 FEAB COc1ccccc1N1C(=S)N(CCC(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 9303166 DQBIMIFDTMNFSG-GJZGRUSLSA-N 368.524 2.314 0 40 FEAB O=C(Nc1cnn(CC(F)F)c1)N1CCC(OC[C@H]2CCCO2)CC1 83571925 MOXLRXXTKKCHHI-CQSZACIVSA-N 358.389 2.340 0 40 FEAB CC(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 14083227 UDHUESFRBFBELP-UHFFFAOYSA-N 354.332 2.420 0 40 FEAB Cc1ccccc1-c1nnn(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n1 5326957 DNZSGCWZLZEFRJ-CYBMUJFWSA-N 365.393 2.255 0 40 FEAB O=C1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)c2ccc(F)cc2N1 14380555 XVMVPXIQODRREU-OAHLLOKOSA-N 370.384 2.122 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 9459029 DUCJXBRKVBLAKV-UHFFFAOYSA-N 352.394 2.343 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)NCCSCc1ccccc1 7140895 GXPKWXIGTZAVIF-UHFFFAOYSA-N 369.446 2.152 0 40 FEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3ccccc3[nH]2)cc1 7337545 YBWMXSZACNJKSH-UHFFFAOYSA-N 360.391 2.051 0 40 FEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCCc2ccccc21 7985619 GOHWIOFMGZIWPV-INIZCTEOSA-N 355.438 2.435 0 40 FEAB CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C 21006135 AUDVITBIAHFZBG-UHFFFAOYSA-N 356.382 2.431 0 40 FEAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCN(C(C)(C)C(N)=O)CC1 72308876 RPXGURFANZPGCM-OAHLLOKOSA-N 374.529 2.193 0 40 FEAB C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 95398187 CEEGAHNDEIEWDA-HUUCEWRRSA-N 366.483 2.095 0 40 FEAB COc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1OC 95467458 YEZYUXZQTVMHPS-CYBMUJFWSA-N 356.488 2.055 0 40 FEAB Cc1ccccc1[C@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@H](C)CO1 95403612 YHBBSOLSPGMXJP-GDBMZVCRSA-N 355.442 2.204 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 28976800 NJUUIOGECZUZIO-CRAIPNDOSA-N 361.461 2.278 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1N1CCCC1=O 113950227 GORHNYQTQWDZIW-UMVBOHGHSA-N 364.467 2.289 0 40 FEAB O=C1c2ccccc2C(=O)N1CCCn1nnc(-c2cccc(F)c2)n1 24841923 NDPRBKSWRMEBEW-UHFFFAOYSA-N 351.341 2.166 0 40 FEAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408709939 JCEORIPTAAHTPI-UHFFFAOYSA-N 369.421 2.090 0 40 FEAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cnn(C)c1 32611760 QFKGPZFEYDZNCV-UHFFFAOYSA-N 370.482 2.415 0 40 FEAB CC(=O)N1CCn2c(nnc2C2CCN(Cc3cccc(C)c3)CC2)C1 72372091 ZWGGEPHZKSYOJM-UHFFFAOYSA-N 353.470 2.328 0 40 FEAB CCOCCCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217640624 ZNEZGEZAZWLXIQ-UHFFFAOYSA-N 358.460 2.300 0 40 FEAB COc1ccc(-c2nnc3nn(C)c(=O)n3c2-c2ccc(OC)cc2)cc1 72339925 MTJHXNMAFDLSPU-UHFFFAOYSA-N 363.377 2.174 0 40 FEAB Cc1ccc2ncn(CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2c1 40127930 RIOHWZWRZYKANT-HIFRSBDPSA-N 356.426 2.109 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccnc1 222978076 CVBZMEPMBPGQQA-MRXNPFEDSA-N 363.439 2.274 0 40 FEAB COc1cccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 224575171 NPSKKOQGNGMDPF-UHFFFAOYSA-N 366.414 2.235 0 40 FEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2cnc3ccccc32)CC1 223810080 AVRJRDRSZVQLRZ-UHFFFAOYSA-N 373.482 2.477 0 40 FEAB CCOc1ncc(C)cc1NC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 333601793 CTEPKSLTZYKBRP-KRWDZBQOSA-N 367.471 2.221 0 40 FEAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1sc(N(C)C)nc1C 95479280 MRXBAOPIUCTACD-JTQLQIEISA-N 352.412 2.180 0 40 FEAB Cc1occc1C(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 96057717 NHYNALURFWAHKD-IAOVAPTHSA-N 358.394 2.117 0 40 FEAB COCCN1C[C@@H]2CN(Cc3cccc(F)c3)CCC[C@]2(C(=O)O)C1 96185185 FLNNMAHVISXXQX-LPHOPBHVSA-N 350.434 2.071 0 40 FEAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1cccnc1 96111649 BDSMTTGNASMJSA-WMZOPIPTSA-N 363.417 2.387 0 40 FEAB biogenic,in-vitro O=C(c1cccnc1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 247873234 RVMCKGLDACWYLE-FHWLQOOXSA-N 353.422 2.171 0 40 FEAB Cc1nc(CO[C@@H]2CN(C(=O)c3ocnc3C)Cc3ccnn3C2)cs1 248026681 KKLLXBJAABIIEZ-OAHLLOKOSA-N 373.438 2.186 0 40 FEAB O=S1(=O)CC[C@@H](COc2ccccn2)C12CN(CC1CCCC1)C2 247349416 VRWKAIITRSVQSO-INIZCTEOSA-N 350.484 2.140 0 40 FEAB O=C1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)N1 257205857 BAWBRRDWJSOJRR-YRGRVCCFSA-N 374.466 2.467 0 40 FEAB C[C@@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 604383051 AOSZFNZGINDLCY-IRFCIJBXSA-N 366.465 2.069 0 40 FEAB biogenic,in-vitro Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)oc2ccccc12 257313539 UTBDUQNEFOPOJM-ZHALLVOQSA-N 372.465 2.427 0 40 FEAB C[C@]1(N2CCOCC2)CCN([C@@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776578839 IZFBIKXHEDYSOX-WBVHZDCISA-N 356.825 2.401 0 40 FEAB O=S(=O)(NCCc1csc(-n2cccn2)n1)c1cc(F)ccc1F 90703652 NHCSCUCSPNLTBB-UHFFFAOYSA-N 370.406 2.128 0 40 FEAB O=C(N1CCN(C(=O)C2(C(=O)O)CCC2)CC1)C12CC3CC(CC(C3)C1)C2 569365934 LFSQYXMGSONSGU-UHFFFAOYSA-N 374.481 2.129 0 40 FEAB O=S(=O)(N1CC2(C[C@@H](OCc3ccccn3)CS2)C1)C(F)(F)F 575403036 HVKGWEUYTXZSAM-LLVKDONJSA-N 368.402 2.008 0 40 FEAB O=C(Cc1cccc(F)c1)N1CCOC[C@@](O)(COc2ccccc2)C1 585272079 KWZUCEOAYSQSMK-HXUWFJFHSA-N 359.397 2.037 0 40 FEAB COC(=O)c1ccc(CN2CCc3nc(NC(=O)C4CC4)sc3C2)o1 75157889 HNLOZLHAFRMODF-UHFFFAOYSA-N 361.423 2.430 0 40 FEAB CCCCCCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148127 NLAAHDJOYOPKQL-UHFFFAOYSA-N 374.489 2.236 0 40 FEAB C[C@@H](CC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)n1cncn1 12086991 WXIRRBBFDLWMFZ-GOEBONIOSA-N 356.426 2.418 0 40 FEAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)Cn2c(=O)oc3ccccc32)n1 12142051 KQKZLJZLUMKVJT-ZDUSSCGKSA-N 372.450 2.298 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1cccc3cccnc13)CC2 13266808 MPNIPRQSOQXIOT-UHFFFAOYSA-N 361.449 2.477 0 40 FEAB CCS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 14400343 HVMSUZBKIAFNBH-UHFFFAOYSA-N 368.455 2.020 0 40 FEAB CC(C)c1nccn1CC(=O)N1CCC[C@H]1c1cc(CN(C)C)n(C)n1 19710081 QPOVFUYZPCJDRK-KRWDZBQOSA-N 358.490 2.165 0 40 FEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O 4514047 LDEBQQRVCGORJR-DJJJIMSYSA-N 361.417 2.384 0 40 FEAB C[C@@]1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1 5825457 PVMHGAWGUHOLNX-LJQANCHMSA-N 359.447 2.426 0 40 FEAB CCc1cc(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)nc(C(C)(C)C)n1 1888859253 DZZNRVDMXJORCN-KRWDZBQOSA-N 373.545 2.468 0 40 FEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(C(F)(F)F)ccc1=O 1888913434 CGNYIABWEVDFCU-VIFPVBQESA-N 369.299 2.233 0 40 FEAB CN(C1CCN(c2ccnc(C(C)(C)C)n2)CC1)S(=O)(=O)C1CC1 2087139276 NBCSGSOYYLUCCE-UHFFFAOYSA-N 352.504 2.167 0 40 FEAB CCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CCCC)c(=O)n1C 5148177 ALBDWTSWCWYFRY-CYBMUJFWSA-N 360.462 2.254 0 40 FEAB CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1 10386809 FOFHSZBDEFWPIV-UHFFFAOYSA-N 366.425 2.402 0 40 FEAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2)C1=O 104669946 DDORCRDFKWIPOF-HOSILWTGSA-N 369.421 2.241 0 40 FEAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c1 23106684 QEKHUVCLCXZHKM-HNNXBMFYSA-N 374.466 2.064 0 40 FEAB O=C([C@@H]1COc2ccccc2O1)N1CCC(c2nnc(C3CC3)o2)CC1 38518766 SSRQJGCZBQSYIX-INIZCTEOSA-N 355.394 2.493 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)n1cccn1 575613734 KLGJNLLFICBCED-INIZCTEOSA-N 372.425 2.106 0 40 FEAB CCN1CCN([C@@H](c2cccc(OC)c2)c2sc3ncnn3c2O)CC1 22031306 LMUYYWGUGBZRPU-HNNXBMFYSA-N 373.482 2.232 0 40 FEAB Fc1ccc(-c2n[nH]cc2CNC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 40091410 DXZHCRDPTLZNMY-QFBILLFUSA-N 374.460 2.043 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 21057200 CMAQTJUHSAJARI-OKILXGFUSA-N 357.454 2.146 0 40 FEAB Cc1nc(C(=O)Nc2nc3c(s2)CN(C)CC3)nn1-c1ccc(F)cc1 32808653 RIEKLYSUKWUGBQ-UHFFFAOYSA-N 372.429 2.412 0 40 FEAB COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 32915411 KOBCZQATNQASPN-UHFFFAOYSA-N 373.840 2.466 0 40 FEAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(-n2cnnn2)c1 41969566 UKIYDVGTQHRMCR-UHFFFAOYSA-N 364.409 2.309 0 40 FEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1ccc(-n2cccn2)cc1 104083814 SITWVFMTLTWBOV-IAGOWNOFSA-N 367.405 2.091 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 23388066 MLFQAVLHEPBDRT-LJQANCHMSA-N 374.506 2.343 0 40 FEAB CN(C)C(=O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)c2ccccc2O1 54707073 INDGMAWQRHTTPY-IBGZPJMESA-N 366.417 2.046 0 40 FEAB O=C(c1cc[nH]c(=O)c1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 93243554 FNTPSTKDJDOTMC-KBPBESRZSA-N 352.312 2.342 0 40 FEAB C[C@H]1CCCN(Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)C1 47617812 WDPCAHZRSFPJLK-SFHVURJKSA-N 374.529 2.050 0 40 FEAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CC1 4092979 SYKXCQKXYGYHEK-MRXNPFEDSA-N 371.466 2.338 0 40 FEAB CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C 4218060 FSNMMMLVOKEPKN-UHFFFAOYSA-N 365.386 2.136 0 40 FEAB COc1ccc(C2(CNC(=O)CN3CCCCCC3=O)CCOCC2)cc1 57003065 DRFHCDFALYINRF-UHFFFAOYSA-N 374.481 2.262 0 40 FEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 7503659 GUHNMCKNAALAKC-ZDUSSCGKSA-N 352.394 2.035 0 40 FEAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C[C@@H](C)O1 12581984 WUOHXYDFERFYDV-XJKCOSOUSA-N 364.471 2.054 0 40 FEAB CCCNC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 35876998 TWPQSLJVCRVKOF-LADRWXRNSA-N 357.498 2.150 0 40 FEAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 107836094 TVSBXWMSHARUEX-UHFFFAOYSA-N 362.879 2.178 0 40 FEAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 23977104 SSZPJUVGKFGYNV-HNNXBMFYSA-N 352.481 2.100 0 40 FEAB CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCN(CC)CC2)cc1 57996651 BVWCTVCHFHZOIA-HNNXBMFYSA-N 362.474 2.011 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1 58282683 LYZAQHSMVMELEP-UHFFFAOYSA-N 353.488 2.045 0 40 FEAB CCNC(=O)NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 58210442 ULVQYFIZLWTSMW-UHFFFAOYSA-N 366.421 2.147 0 40 FEAB O=C([C@H](c1ccccc1)N1CCSCC1)N1CCC2(CC1)OCCO2 58217539 MZXOUGGCAVCQGR-KRWDZBQOSA-N 362.495 2.142 0 40 FEAB Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3cccnc3)cc21 9975315 BZVCQDFBEBSJIY-UHFFFAOYSA-N 351.410 2.125 0 40 FEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1N1CCOCC1 84500119 INPGQYXIIOKMEE-HNNXBMFYSA-N 354.406 2.093 0 40 FEAB COc1ccc(F)cc1C(=O)COC(=O)c1cccc(S(C)(=O)=O)c1 11295191 ANAADHUMSTVLOS-UHFFFAOYSA-N 366.366 2.278 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)CCc2nc3ccccc3[nH]2)c1 11360326 IRCNPOKUQMDZIM-UHFFFAOYSA-N 372.450 2.183 0 40 FEAB CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 11566088 DNIRUXNRENKGOD-UHFFFAOYSA-N 351.255 2.155 0 40 FEAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 21668925 ZELKRAWEYRKJFG-MFKMUULPSA-N 364.389 2.307 0 40 FEAB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O 2657858 VKWGFUJHFMMSHD-SECBINFHSA-N 358.268 2.478 0 40 FEAB in-vitro NC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1 3224514 ZMXVSJYTFBOEGY-UHFFFAOYSA-N 368.176 2.283 0 40 FEAB CCOc1ccc2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2c1 12699053 AFCWOGPFXIZWBY-GFCCVEGCSA-N 369.468 2.058 0 40 FEAB O=C(C1CC1)N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 48230040 IUUBYBHCQKFSMS-LJQANCHMSA-N 354.450 2.134 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccsc1 12779756 CFACIKLPJXCBNZ-UHFFFAOYSA-N 366.464 2.219 0 40 FEAB CNc1nc(N2CCN(c3cccc(OC)c3)CC2)nc2c1C(=O)CCC2 10157635 DSIYSKKGJQUUSQ-UHFFFAOYSA-N 367.453 2.373 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1COc2ccccc2C1 48374899 PBENVQKHTAXRCE-KRWDZBQOSA-N 366.417 2.349 0 40 FEAB COc1ccc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)[nH]c2c1 3493632 CZBJJRBSQMQAKG-UHFFFAOYSA-N 356.407 2.401 0 40 FEAB CN1C(=O)N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O 3624278 FEOYCFKIGVXVIR-NSHDSACASA-N 370.114 2.163 0 40 FEAB O=C(c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 4114146 IWIXXVARLOJWRQ-HETAGWCJSA-N 359.219 2.498 0 40 FEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(C)C)c(O)c1 6308017 GDRPZFREKLEHAR-OAHLLOKOSA-N 350.440 2.393 0 40 FEAB NC(=O)c1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)s1 65514021 HOZGLOPYVVPRKO-UHFFFAOYSA-N 359.238 2.391 0 40 FEAB CCOC(CNC(=O)c1cc2c(=O)n3ccccc3nc2s1)OCC 6758498 VNKXIOKQHXSZLG-UHFFFAOYSA-N 361.423 2.038 0 40 FEAB COC(=O)c1cc(CN(C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)oc1C 9531884 XJNYKYHGRRLRNV-UHFFFAOYSA-N 362.382 2.378 0 40 FEAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(F)cc2)CC1 7101261 LHXCWZLIGRLSRH-UHFFFAOYSA-N 372.396 2.340 0 40 FEAB COC(=O)c1cc(CNC(=O)c2cccnc2N2CCCC2)ccc1OC 15723294 GITGBPLHVZXESO-UHFFFAOYSA-N 369.421 2.407 0 40 FEAB Cc1nc2ccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2s1 7685089 OLRJZGYNXAXPSN-UHFFFAOYSA-N 374.447 2.041 0 40 FEAB CN1CCN(c2cc(C(=O)N(C)Cc3ccc(F)c(F)c3)ccn2)CC1 68513146 WZPBZYFZZRUSMN-UHFFFAOYSA-N 360.408 2.384 0 40 FEAB CSCC[C@@H](NC(=O)CN1CSCC1=O)c1nc2ccccc2[nH]1 8135823 NQRFZBFXYORORK-CYBMUJFWSA-N 364.496 2.006 0 40 FEAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC(C(N)=O)CC1 8193205 DAZKNGWCVJHDNN-HNNXBMFYSA-N 358.486 2.201 0 40 FEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cccn1C 69161677 HKDAYYSWGYYHGV-UHFFFAOYSA-N 350.216 2.465 0 40 FEAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 8215174 LMOUTWPZRTZUAP-UHFFFAOYSA-N 352.346 2.260 0 40 FEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(C)no2)c1 8538651 IVGMUSJBTYOETL-UHFFFAOYSA-N 352.412 2.371 0 40 FEAB CC[C@H](Nc1ncnc2c1cnn2CC(=O)OC)[C@H](O)c1ccccc1F 72304135 CZLIJJUYAJPIMX-GOEBONIOSA-N 373.388 2.063 0 40 FEAB COc1ccc(CCNC(=O)c2cc(OC)c3c(c2)OCCO3)cc1OC 9053838 RDUGOMZZPQCHHJ-UHFFFAOYSA-N 373.405 2.456 0 40 FEAB O=C(/C=C/c1cccs1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306124800 BZVZBWPSUDMCPK-CPNMATNWSA-N 356.451 2.137 0 40 FEAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1 22804973 FVCBYIDFUZGNCC-UHFFFAOYSA-N 351.450 2.378 0 40 FEAB CCCNC(=O)CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1 35312696 JRPVTYVHUDMNMX-GFCCVEGCSA-N 350.444 2.335 0 40 FEAB CCOCC[C@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]12 306126365 DTNBVJUZUPNKOZ-YDHLFZDLSA-N 359.875 2.402 0 40 FEAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cnn2cccnc12 36752233 HBGNHHKQWDTNDJ-UHFFFAOYSA-N 358.785 2.474 0 40 FEAB CCN(CC)C(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832609 KLJJQGYKOGDFSS-CQSZACIVSA-N 360.863 2.126 0 40 FEAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(Cl)s1 70923019 GBSQRQFLEBDJPU-UHFFFAOYSA-N 372.903 2.386 0 40 FEAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218458846 OVMFRLTZNCIPHT-ZCNNSNEGSA-N 359.491 2.435 0 40 FEAB CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 223093621 JHURJNOERQNELL-UHFFFAOYSA-N 362.451 2.022 0 40 FEAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1)c1ccc2nsnc2c1 225627608 FKPMNAHJIRCYOG-ZBEGNZNMSA-N 365.418 2.021 0 40 FEAB CN1CCN(CCCCNC(=O)c2cc(F)ccc2Br)CC1 41361662 SFBQTUSNDLHGFI-UHFFFAOYSA-N 372.282 2.346 0 40 FEAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2C)cc1F 225094359 VLWFYYXOBYANBF-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 224892305 GIJDPVNHRWJYMA-UHFFFAOYSA-N 364.423 2.487 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ncc(C(=O)O)s2)c(C)c1F 579231389 CYMUTBNEIYUAJU-MRVPVSSYSA-N 374.415 2.337 0 40 FEAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96047828 UVMPEXJMZDFIOL-QGZVFWFLSA-N 350.434 2.054 0 40 FEAB Cc1noc(C)c1CCC(=O)N1CCN(c2nc3ccccc3n2C)CC1 96232052 XWFAKDXEIMJBLA-UHFFFAOYSA-N 367.453 2.460 0 40 FEAB COCCN1C[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@]2(c2ccccc2)C1 96083264 HSYMUKXLXUKNHH-GHTZIAJQSA-N 353.466 2.377 0 40 FEAB O=S(=O)(NCc1cnc([C@@H]2CCCCO2)nc1)c1ccc(F)cc1 257303127 SFXFSFOLSGOYRW-HNNXBMFYSA-N 351.403 2.336 0 40 FEAB Ic1cnn2c1OC[C@@H](OCc1ccccc1)C2 256050868 GUSAFZMTODGVFS-NSHDSACASA-N 356.163 2.466 0 40 FEAB COCc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cc1 257304891 SNNXKXBIFFKHNH-LJQANCHMSA-N 355.438 2.405 0 40 FEAB CN[C@H]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)OC[C@]1(C)O 257242378 ICEKTNDDHMZBIN-RDJZCZTQSA-N 352.862 2.074 0 40 FEAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2ccccc2F)n1 257266500 MDGVWWCIKDDVGZ-SFHVURJKSA-N 356.401 2.158 0 40 FEAB CN(CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccc(F)cc1 257322553 WGKMEOOHLDPQRR-PXNSSMCTSA-N 361.461 2.307 0 40 FEAB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 260895310 HRPPRMOVWJEWBT-CJNGLKHVSA-N 356.488 2.401 0 40 FEAB O=c1onc(-c2ncccn2)n1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 631008588 AGJINCGWCQTFHQ-AOOOYVTPSA-N 356.304 2.231 0 40 FEAB CC(C)C[C@@H](NC(=O)N1CCN(c2nncn2C)CC1)c1cccs1 654394540 SRTSIVGZBUNDMF-CQSZACIVSA-N 362.503 2.496 0 40 FEAB CCNC(=O)C1(CNC(=O)NCc2cnccc2C(F)(F)F)CCC1 661066979 ISVOMHYIRSZFOQ-UHFFFAOYSA-N 358.364 2.206 0 40 FEAB O=C(c1ccccc1O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962868 QFPYGSQHFQEMBP-UHFFFAOYSA-N 358.438 2.026 0 40 FEAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)[nH]1 585105152 ZQKUUPFGGWDLIN-WBVHZDCISA-N 360.502 2.461 0 40 FEAB CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C)s1 58174052 OIPZVWXPABCLMD-HNNXBMFYSA-N 359.561 2.093 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 677959458 QYYDJHMDORJYAV-MHORFTMASA-N 359.470 2.368 0 40 FEAB O=C(CSC(=S)N1CCOCC1)NC(=O)Nc1ccc(Cl)cc1 5569810 ODVUGUNHHPWATQ-UHFFFAOYSA-N 373.887 2.338 0 40 FEAB Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1F 5100808 YMIWUMNAHXCDNG-UHFFFAOYSA-N 358.402 2.450 0 40 FEAB COc1cc(C)c(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC 13005238 DTZCMBOWTWBCMI-UHFFFAOYSA-N 354.362 2.247 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585851 GHDMKLQCJXZZMK-GFCCVEGCSA-N 370.496 2.419 0 40 FEAB COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)NCCc1ccccc1 13581735 PZCNHEMNRGLPFQ-UHFFFAOYSA-N 374.462 2.108 0 40 FEAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC(=O)NCc2ccccc2)n1 15805432 UYGSEXVJPQNEBC-GFCCVEGCSA-N 374.466 2.229 0 40 FEAB C[C@@H](C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1 19079845 AIEUYLJVCSZVQG-XJKSGUPXSA-N 360.845 2.057 0 40 FEAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCc2ccccn2)n1 19457412 LAVMHJPUSFMFNT-ZDUSSCGKSA-N 372.860 2.497 0 40 FEAB COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(C)CC1 19589941 CJUQJEDLYDLSER-GOSISDBHSA-N 356.474 2.134 0 40 FEAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(OC)c(C)c1 19929869 XZAUFSIIHSTTIK-UHFFFAOYSA-N 356.488 2.177 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 5127191 OUCFMSMAFZVXPG-UHFFFAOYSA-N 374.871 2.391 0 40 FEAB CC(=O)N1CC2(CCN(Cc3scnc3C)CC2)C[C@H](O)C1(C)C 2037849951 UUWQBRZTVHYYAT-INIZCTEOSA-N 351.516 2.425 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522816 RRGBCCPWMLDSBH-CQSZACIVSA-N 374.503 2.036 0 40 FEAB O=C(c1ccsc1)N1CCO[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]2C1 1565545208 XFSNJOKAWWTGAR-UKRRQHHQSA-N 366.458 2.330 0 40 FEAB CCc1ccc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)cn1 2055714908 YFOBWIPDVYTZTP-UHFFFAOYSA-N 356.474 2.122 0 40 FEAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1 40267920 HWHXGLDXLGRETA-UHFFFAOYSA-N 368.437 2.429 0 40 FEAB O=C(N[C@H]1CCCNC1=O)c1c(-n2cccc2)sc2c1CCSC2 50636244 QGMZNWCMXPFYBD-LBPRGKRZSA-N 361.492 2.337 0 40 FEAB CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3c(OC)cccc23)CC1 20739503 BWZFKNABMTULKR-MRXNPFEDSA-N 361.398 2.076 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(Cc2ccccc2)CC1 32679005 UBFBEOFQXHURHH-UHFFFAOYSA-N 358.463 2.128 0 40 FEAB Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccc(Cl)cc12 52855193 RRWLOLUILYDOFX-UHFFFAOYSA-N 356.831 2.112 0 40 FEAB Cc1cccc(CN2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)c1 22504292 HNUJXSHPOHUOJB-UHFFFAOYSA-N 362.433 2.190 0 40 FEAB CS(=O)(=O)c1nc2ccccc2n1Cc1nc(N)c2ccccc2n1 23107196 PTQRJIANSOFIDE-UHFFFAOYSA-N 353.407 2.014 0 40 FEAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(-n2cncn2)nc1 24888647 MAGJBZYCKHOODG-UHFFFAOYSA-N 353.430 2.313 0 40 FEAB Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 25051557 VOPPZSUUCOSLFC-CQSZACIVSA-N 362.451 2.289 0 40 FEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 6066951 JMIAZDVHNCCPDM-ZUNJVLJPSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro COC[C@H](C)NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7349357 HUZRRIQMWLCQMK-AWEZNQCLSA-N 351.406 2.210 0 40 FEAB COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1F 7495468 JTRQGLLOZDYAKG-UHFFFAOYSA-N 368.405 2.484 0 40 FEAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 7676081 DBGGSRULPGORKS-KRWDZBQOSA-N 363.373 2.100 0 40 FEAB Cc1ccc(-n2cc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)nn2)cc1 44753621 DWKSGNMJUMFJKP-UHFFFAOYSA-N 353.357 2.374 0 40 FEAB C[C@@H](NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 58154419 ZXJDOWIJHDDIMT-BZNIZROVSA-N 369.439 2.335 0 40 FEAB COc1ccc(CC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 27742193 KAZGCBYXQKJDEU-UHFFFAOYSA-N 359.514 2.304 0 40 FEAB CC(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 58265954 OQZQVLKFYAHAIJ-GOSISDBHSA-N 357.454 2.305 0 40 FEAB CCCOc1cccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)c1 9140149 ZBFGZOWAWROOOH-UHFFFAOYSA-N 362.459 2.245 0 40 FEAB Cc1ccccc1OC[C@@H](C)NC(=O)N[C@@H](C)C(=O)NCc1ccco1 58305215 NBSBQDVRJSWZQW-CABCVRRESA-N 359.426 2.359 0 40 FEAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3c(c2)OCO3)c1 9903686 IBLFTAUUDZLEHA-UHFFFAOYSA-N 353.378 2.367 0 40 FEAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(c2ccccc2)CC1 57670056 DQMSWOJQZHAWFP-SFHVURJKSA-N 358.490 2.373 0 40 FEAB O=C(C1CCN(c2cnccn2)CC1)N1CCN(Cc2cccs2)CC1 28867110 PDXOHKQKABIUAA-UHFFFAOYSA-N 371.510 2.099 0 40 FEAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cnccn1 58226656 WVJVRWOELUVWNE-UHFFFAOYSA-N 361.301 2.031 0 40 FEAB COc1c(Br)cc(C(N)=O)cc1I 26508582 NVJUQEWOWIRCNC-UHFFFAOYSA-N 355.957 2.161 0 40 FEAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085607 NJSSMZVQWVNTKC-NIXVWIAJSA-N 366.417 2.075 0 40 FEAB Cc1cccc(N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)c1 12616603 GCAYSDAVDQMTKM-UHFFFAOYSA-N 366.465 2.143 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)OCc2ccc(C(C)C)cc2)n(C)c1 48235971 SCWITNDBLCCVCX-UHFFFAOYSA-N 350.440 2.414 0 40 FEAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)[nH]1 12748416 RAOMAYFTKVWJLB-IBGZPJMESA-N 353.378 2.044 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1F 3368481 XGFBRFCJHXOVCF-UHFFFAOYSA-N 369.352 2.177 0 40 FEAB COc1cc(CC(=O)OCC(=O)NC2CCCCC2)cc(OC)c1OC 3317006 ICLUGPKARBWYRI-UHFFFAOYSA-N 365.426 2.247 0 40 FEAB Cc1ccc(C(=O)NCCNC(=O)Cc2n[nH]c3ccccc23)cc1F 48311847 NHZKEENLWMFVFG-UHFFFAOYSA-N 354.385 2.099 0 40 FEAB CCc1cc2c(=O)n(CC(=O)c3ccc4c(c3)NC(=O)CO4)cnc2s1 12889175 CDAZWHYKBDXSNF-UHFFFAOYSA-N 369.402 2.234 0 40 FEAB O=C(O)/C=C/C(=O)N1N=C(c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 9183959 AIONHHFHUHFSJL-CTDFXDFQSA-N 361.357 2.111 0 40 FEAB COCCCNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 5060331 ICGHWSZBUWWURJ-UHFFFAOYSA-N 374.462 2.323 0 40 FEAB CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1 6274237 VZXPDZREEYZGDP-MRXNPFEDSA-N 364.467 2.458 0 40 FEAB CCC(NCCOc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4337692 UHKSNWDMWNLNDL-UHFFFAOYSA-N 365.817 2.023 0 40 FEAB COc1cc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)cc(OC)c1 14093279 CLXCOXVUZIPRTK-VOTSOKGWSA-N 351.366 2.331 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nc(C(C)C)n[nH]1 14109249 RCEPIFUHSHIGEV-UHFFFAOYSA-N 361.471 2.392 0 40 FEAB Cc1c(NS(=O)(=O)c2ccc(Cl)s2)cccc1-n1cnnn1 9314425 LAIBLYCRQBYHOW-UHFFFAOYSA-N 355.832 2.486 0 40 FEAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 9341575 RHHHLSPBWXEBRM-CHWSQXEVSA-N 358.872 2.004 0 40 FEAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 9341572 RHHHLSPBWXEBRM-OLZOCXBDSA-N 358.872 2.004 0 40 FEAB C[C@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)N1CCNC1=O 7299698 JPHQBTRZJMXBOF-AWEZNQCLSA-N 368.389 2.363 0 40 FEAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 15842684 XYWJDOVVAUPYHB-CQSZACIVSA-N 372.446 2.238 0 40 FEAB Cc1ccsc1CN1C[C@H](c2ccnn2C(C)C)[C@@]2(C1)OCCNC2=O 306132855 LUMPORMAZUTBBB-DNVCBOLYSA-N 374.510 2.319 0 40 FEAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@@H]1c1ncon1 175220636 CNPCRTGOZIMYKB-ZWKOTPCHSA-N 370.453 2.414 0 40 FEAB O=C(N[C@@H]1CCCNC1=O)c1csc(COc2ccc(Cl)cc2)n1 69334374 XTSRQOIHHHIOGD-GFCCVEGCSA-N 365.842 2.384 0 40 FEAB NC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 8329052 LHHQBJIGUATDAI-UHFFFAOYSA-N 357.435 2.338 0 40 FEAB Cc1cccc(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1 8509988 SOKMLGQJNAJECL-UHFFFAOYSA-N 362.389 2.463 0 40 FEAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccccc1Cl 8738447 MSZUBTPWZNEPOA-UHFFFAOYSA-N 358.785 2.447 0 40 FEAB COc1cc(F)c(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1OC 97141276 WDMPRHGZEWPCFS-UHFFFAOYSA-N 369.370 2.366 0 40 FEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2sccc2c(=O)[nH]1 84774817 UYRCQWUMXXAFJL-UHFFFAOYSA-N 367.434 2.243 0 40 FEAB C[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 95462082 UJEGDSWZGQGJCN-WMLDXEAASA-N 356.463 2.013 0 40 FEAB CN1CCN([C@H](c2ccccc2Cl)c2nnnn2Cc2ccco2)CC1 20141654 GNSKHINEUVTFHV-QGZVFWFLSA-N 372.860 2.305 0 40 FEAB CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409192493 XYIOTKWJLJJPMI-MHWRWJLKSA-N 352.346 2.486 0 40 FEAB CC(C)n1cc2c(n1)C1(CCN(Cc3cccnc3)CC1)CN(C)C2=O 306140872 VFYDUOLFGIUIKZ-UHFFFAOYSA-N 353.470 2.478 0 40 FEAB Cc1noc(C)c1CN1CC2(CC[C@H](CNC(=O)N3CCCC3)CO2)C1 306123301 AJOVEXGAQUATKL-MRXNPFEDSA-N 362.474 2.078 0 40 FEAB COc1cc2c(cc1CN1CCn3c(nnc3[C@H]3CCCNC3)C1)CCC2 72372136 XLXLACQZDXCFJT-KRWDZBQOSA-N 367.497 2.258 0 40 FEAB NC(=O)c1ccccc1OCc1noc(C(=O)NC2CCCCCC2)n1 36357649 LSBVQAXZULAJQJ-UHFFFAOYSA-N 358.398 2.200 0 40 FEAB COC[C@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2OC)CC1 199402197 OBILFQMVVPPADL-AWEZNQCLSA-N 350.459 2.067 0 40 FEAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(N2CCOCC2)n1 225929561 ZNLBOFFBISERTR-UHFFFAOYSA-N 363.874 2.453 0 40 FEAB O=S(=O)(NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1 44905042 BYDYNCMFKHWJLB-UHFFFAOYSA-N 362.451 2.089 0 40 FEAB CC(C)(C)n1cc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)nn1 191421110 FTTHTUKGENKOJV-KRWDZBQOSA-N 357.458 2.242 0 40 FEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccccc1)C2)NCc1cccnc1 96206403 UBRYCJFUSAGRAD-CTNGQTDRSA-N 351.450 2.237 0 40 FEAB Cc1cc(NC(=O)COC(=O)Cc2ccccc2Br)no1 95471771 DTDCVQMRLODMHW-UHFFFAOYSA-N 353.172 2.470 0 40 FEAB C[C@@H](NC(=O)N1CCN(C(=O)C2CC2)C1)c1ccc(Br)cn1 333636404 BOIWIQOZGPUPRE-SNVBAGLBSA-N 367.247 2.126 0 40 FEAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1 96228992 DPANWIUUHQVVTP-KRWDZBQOSA-N 356.463 2.094 0 40 FEAB O=C(c1ccsc1)N1CCCn2nnc(COc3ccccn3)c2C1 96258998 FRPCHAWQNMJWTK-UHFFFAOYSA-N 355.423 2.360 0 40 FEAB O=C(c1cocn1)N1CCC2(CC1)CO[C@H](COCc1ccncc1)C2 96106168 BNRIQRRRFLCBFA-INIZCTEOSA-N 357.410 2.298 0 40 FEAB Nc1cc(CC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ccn1 257282457 OTVCKCNPXCWJAB-QGZVFWFLSA-N 355.438 2.269 0 40 FEAB Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](c4ccnc(N)n4)C3)cc2)n1 584414634 BAFSMLWYLFTUSE-MRXNPFEDSA-N 362.437 2.573 0 40 FEAB C[C@H]1c2nc(CC(=O)NCc3cccs3)cn2CCN1c1ncccn1 253591863 QXLPGDUCPLJUFB-ZDUSSCGKSA-N 368.466 2.175 0 40 FEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCCc1ccncc1 257248714 JEWKBBMWMLDDIR-SFHVURJKSA-N 354.454 2.363 0 40 FEAB CCCCS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467498 WGBBVRBZOOOCTR-INIZCTEOSA-N 356.463 2.079 0 40 FEAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCC[C@@H]2CCCN2C)c1 257204299 ATXALOJTQKUQPZ-KRWDZBQOSA-N 355.486 2.148 0 40 FEAB CNc1cc([C@@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)nc(C)n1 257298736 RNBXKCIBLLKRQO-HNNXBMFYSA-N 354.414 2.157 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CCC(=O)O)C2)ncn1 257229595 FYRYBGGRYOBCAR-CYBMUJFWSA-N 358.398 2.004 0 40 FEAB COC(=O)NCC(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 62407950 RYICNGURXDQPDA-UHFFFAOYSA-N 359.260 2.155 0 40 FEAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145232 QXKWCKHQAWNXJX-GOEBONIOSA-N 370.453 2.160 0 40 FEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnn(Cc2ccccc2)c1 16596204 FMPFODFMWJWKFH-IBGZPJMESA-N 363.417 2.446 0 40 FEAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 17076190 RFVYEBWDGKNKMD-NSHDSACASA-N 372.299 2.107 0 40 FEAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 17916705 ZOGRKOWIHARIQN-LLVKDONJSA-N 366.414 2.233 0 40 FEAB O=C(C1CC1)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19014646 OUEBUKKDCJYCJK-AWEZNQCLSA-N 356.470 2.209 0 40 FEAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4cccc(F)c4)C3)ncc2C1 19018732 CHDHQLNJFMISGK-HNNXBMFYSA-N 368.412 2.150 0 40 FEAB Cc1ncccc1C(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1 19582900 UHISXOZTGKBRGZ-HXUWFJFHSA-N 351.406 2.187 0 40 FEAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)S[C@@H](C)C2 4077212 TZHNNEUPLVCPSF-VIFPVBQESA-N 366.468 2.327 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC(=O)N3)CC2(CCOCC2)O1 684156325 GQFLVDULPZEFCO-CQSZACIVSA-N 358.438 2.372 0 40 FEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)NC2CCOCC2)C3)nc1 1888853489 NGQBGRXJHVJAQD-BEFAXECRSA-N 360.458 2.155 0 40 FEAB Cc1ccc(OCCCN2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C 25933472 RUODONPMWOXYGV-GOSISDBHSA-N 359.514 2.357 0 40 FEAB Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21 244950842 FNTPRNJYFBXYBY-SFHVURJKSA-N 372.446 2.125 0 40 FEAB CCOc1ccccc1CN1CCO[C@H]2CN(C(=O)OCCF)CC[C@@H]21 2056225711 ZHGGBTRZKFIHQD-WMZOPIPTSA-N 366.433 2.467 0 40 FEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 1073070 YUALYKDHFSALQE-UHFFFAOYSA-N 373.478 2.464 0 40 FEAB O=C(NCc1ccc(F)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781410 DPLNHYNFIYLJBN-UHFFFAOYSA-N 355.344 2.500 0 40 FEAB Cc1ccnc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)c1 13516841 BYNQPOLNWLITDP-UHFFFAOYSA-N 354.414 2.080 0 40 FEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cccnc2OC)C1 2055750878 HTVWNGVEUODFGW-LJQANCHMSA-N 358.417 2.032 0 40 FEAB O=C(Cn1c(=O)[nH]c2c(oc3ccccc32)c1=O)Nc1ccc(F)cc1 49402399 RQWQUMDHLDLNJU-UHFFFAOYSA-N 353.309 2.214 0 40 FEAB O=C(NCc1cn(-c2cccs2)nn1)c1cncc(Br)c1 575616218 IYJZFEVDFPFNSH-UHFFFAOYSA-N 364.228 2.416 0 40 FEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2F)cc1 20109277 JMUZFNVOOSKTSM-UHFFFAOYSA-N 357.385 2.349 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1nnc2ccccn12 31502038 BIINBEXWOCZZKP-CQSZACIVSA-N 363.377 2.001 0 40 FEAB COc1ccc(CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 101168546 LCIFZKASHJLZJJ-HOTGVXAUSA-N 354.341 2.328 0 40 FEAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 102129957 WNWSCEBYAAJKKZ-IRXDYDNUSA-N 369.417 2.371 0 40 FEAB CCOc1ccccc1/C=C/C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 32986142 IIIJAINUMPAOSY-IENJSVCTSA-N 352.390 2.378 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(CN(C)c3ccccc3OC)nc2c1 53266573 FZYPCEODQMXKCR-UHFFFAOYSA-N 353.378 2.355 0 40 FEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103627572 DUBHHRJYBIIVSP-SYWGBEHUSA-N 354.406 2.349 0 40 FEAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NOCc1ccccc1 77688019 ZYAQHBUCFAWRDL-QGZVFWFLSA-N 355.373 2.152 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1 4164863 UBDFBZBGYROPMC-AWEZNQCLSA-N 374.462 2.384 0 40 FEAB CCOc1cc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)ccc1O 35148003 YBESOHISFYLZBR-OAHLLOKOSA-N 373.413 2.408 0 40 FEAB CCNS(=O)(=O)c1ccc(C(=O)NCCCOC2CCCCC2)cc1 6989195 HTJQYVAZKZLCQT-UHFFFAOYSA-N 368.499 2.454 0 40 FEAB Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)no1 108528393 LMSLUFFOGHBCBR-UHFFFAOYSA-N 354.410 2.033 0 40 FEAB Cc1cccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)n1 12527447 GNSFKPOOWGKWID-INIZCTEOSA-N 372.450 2.092 0 40 FEAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810630 DFIBKSSYHATWJV-UHFFFAOYSA-N 370.377 2.142 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCCCO2 95947798 ODGCQCFSLZKGTN-GJZGRUSLSA-N 370.405 2.128 0 40 FEAB COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1c(C)nn(C)c1C 10199464 RNQUKUFRBAERSH-UHFFFAOYSA-N 365.817 2.423 0 40 FEAB C[C@H](c1ccccc1)N1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080486 SCRGRGKCTQTHEU-AYOQOUSVSA-N 370.474 2.262 0 40 FEAB C[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)C(=O)N1CCCCC1 58291546 GXDXQSSPAOBTRI-INIZCTEOSA-N 373.501 2.272 0 40 FEAB CC(C)(C)C[C@@H]1CCCN1C(=O)CNC1=NS(=O)(=O)c2ccccc21 58208570 MDVHXKUWMVOOAE-ZDUSSCGKSA-N 363.483 2.152 0 40 FEAB C[C@@H]1CN(c2ccc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cn2)C[C@@H](C)O1 95377434 XGKGCJPYYRVVNG-OAGGEKHMSA-N 359.470 2.336 0 40 FEAB CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 58382406 AZJAENJHWGXPHX-NSHDSACASA-N 352.378 2.348 0 40 FEAB O=C(C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1)N1CCCCC1 104278500 QLUSJYRCBREHQA-SFHVURJKSA-N 369.465 2.043 0 40 FEAB CC1(C)CC(NC(=O)CCN2C(=O)COc3ccccc32)CC(C)(C)N1 10818251 LXMMYDLJJXLHLG-UHFFFAOYSA-N 359.470 2.228 0 40 FEAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 55527081 YCAQDDWHRGHQCP-GHMZBOCLSA-N 350.362 2.185 0 40 FEAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1ccc(Cl)cc1 36654522 RONTUPAXKCNTMA-INIZCTEOSA-N 371.824 2.119 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102592299 AJQFNZOUZGKTMC-UJWMZTGESA-N 350.418 2.377 0 40 FEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1 2415558 QSJHAVFQLIYHCA-SFHVURJKSA-N 353.422 2.214 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)CCNc1ncccn1)c1ccccc1F 45767950 WTVPJGNGQZATLC-INIZCTEOSA-N 354.389 2.057 0 40 FEAB C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCc2sccc2C1 29879298 DZROEJGLLSKPIE-LBPRGKRZSA-N 368.462 2.161 0 40 FEAB CC(C)CNC(=O)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 12684644 RYNVOHIIHBOBOR-UHFFFAOYSA-N 357.439 2.385 0 40 FEAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1cccnc1 48189916 CHKCRSCBANZSJF-SECBINFHSA-N 368.256 2.340 0 40 FEAB COc1ccccc1CNC(=O)CCn1nc(-c2cccs2)oc1=O 12794540 QHMVPIIIGNIBQL-UHFFFAOYSA-N 359.407 2.280 0 40 FEAB CCOC(=O)c1cccnc1NCc1ccc(N2CCC(CO)CC2)nc1 48314369 JGEYHIPRUCLGGO-UHFFFAOYSA-N 370.453 2.474 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 3596712 JTIJGXLUJAHZJP-KRWDZBQOSA-N 367.405 2.187 0 40 FEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1COCC 3546484 MPAOOLBRSLPOGG-LLVKDONJSA-N 362.382 2.360 0 40 FEAB CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC)c(=O)n(C)c4nc23)cc1 4250788 OTJBZRGSTUEELF-UHFFFAOYSA-N 365.437 2.338 0 40 FEAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 6254085 SPGCZWWXVWFLGH-UHFFFAOYSA-N 371.418 2.227 0 40 FEAB C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1 65474331 BTPQGMZRILNRJQ-KDOFPFPSSA-N 354.406 2.153 0 40 FEAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CNC[C@@H]2CCCO2)cc1 6543716 JLPBOZPGSAEWNL-ICSRJNTNSA-N 355.434 2.426 0 40 FEAB COc1ccc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=S)N2C)c(OC)c1 4648694 KDKDUATVJYPCIV-WJQTUHTMSA-N 362.451 2.283 0 40 FEAB COc1ccc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1 6646213 YWGDTNGFGIMMAL-SFHVURJKSA-N 358.346 2.270 0 40 FEAB CCN(C(=O)Cn1c(=O)n(C)c(=O)c2sccc21)c1cccc(C)c1 6679632 CZMPDNOXRQHGQP-UHFFFAOYSA-N 357.435 2.123 0 40 FEAB CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 7247316 MOGHEHSALPNSRQ-QMMMGPOBSA-N 351.457 2.188 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccccc2C(N)=O)c1 7242336 GEJOXVWLKGWACN-LBPRGKRZSA-N 358.394 2.059 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1C 7735255 VZHXVPJXOAUWRF-UHFFFAOYSA-N 370.361 2.219 0 40 FEAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccccc1-n1cnnn1 7780132 QBJFWRNNNIPMPD-UHFFFAOYSA-N 355.373 2.472 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 7987340 BBUSFXMKFVVJCZ-IBGZPJMESA-N 372.490 2.236 0 40 FEAB COc1ccccc1NC(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1 8114342 LUCDJFKMOCGURJ-UHFFFAOYSA-N 366.377 2.152 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 9902277 AJZIDWKHUPHUKE-UHFFFAOYSA-N 358.401 2.463 0 40 FEAB Cn1cc(C(N)=O)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n1 89749813 ZBSFRVPLABKSEQ-UHFFFAOYSA-N 373.800 2.399 0 40 FEAB O=C(CN1CCCc2sccc2C1=O)Nc1cc(C2CCOCC2)[nH]n1 89885345 CLTWMGRVJGRPEM-UHFFFAOYSA-N 374.466 2.392 0 40 FEAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@H](CO)Cc1ccco1 515416695 OSJSOZSIECORIV-MRXNPFEDSA-N 354.410 2.116 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(=O)O)c(=O)oc2c1C 2104213 DLMATRNKFRTDDR-OAHLLOKOSA-N 373.405 2.427 0 40 FEAB biogenic O=S(=O)(NCc1n[nH]cc1Br)c1cc2ccccc2o1 531009927 PMEDANMIRDCHIX-UHFFFAOYSA-N 356.201 2.397 0 40 FEAB COc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 39995581 BKAXKWCAYLMVKG-SJLPKXTDSA-N 359.447 2.336 0 40 FEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217534198 FIDYSJSVZWZWBE-GFCCVEGCSA-N 358.460 2.300 0 40 FEAB COCCn1nnc2c1CCN(C(=O)CCc1c[nH]c3ccc(C)cc13)C2 563748337 OUZWLVKRWGEVIW-UHFFFAOYSA-N 367.453 2.232 0 40 FEAB COc1cccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 40018104 WXPQXHLAYLWQKD-SFHVURJKSA-N 358.438 2.329 0 40 FEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1 42645591 PTZBUJQJGPKGHF-UHFFFAOYSA-N 365.477 2.481 0 40 FEAB O=S(=O)(NCC1CCN(c2cccnc2)CC1)c1ccc2c(c1)CCO2 225656369 SXZHGMNEOWMZFD-UHFFFAOYSA-N 373.478 2.211 0 40 FEAB O=C(O)C1CCN(c2nccnc2N2CCN(c3ccccc3)CC2)CC1 40478760 XPALVQVZEFSLSC-UHFFFAOYSA-N 367.453 2.104 0 40 FEAB O=C([C@H](c1ccccc1)n1cnnn1)N1CCc2[nH]c3ccccc3c2C1 96232569 KRDYKMMIPBBKLT-IBGZPJMESA-N 358.405 2.329 0 40 FEAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)cn1 96047286 LURNWUPKYRQNMT-UHFFFAOYSA-N 359.499 2.395 0 40 FEAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(F)cc1)C2 96086945 AJJRBBZQJUCDDZ-INIZCTEOSA-N 361.465 2.115 0 40 FEAB CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3cccs3)CC2)CO1 96105943 IQUQUBNNAPGKIS-OAHLLOKOSA-N 352.500 2.224 0 40 FEAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1Cc1ccco1 96109811 SFDZCSKFHWFZCV-HNNXBMFYSA-N 358.442 2.192 0 40 FEAB Cc1nc(CC(=O)N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)cs1 257279582 OHHNGKCVZBBCNU-NSHDSACASA-N 356.455 2.254 0 40 FEAB CC(=O)N[C@@]12CCN(CC3CC3)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257303893 SJEBELXREAZMIC-NJDAHSKKSA-N 355.482 2.197 0 40 FEAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCn1nc(C)cc1C 253471608 DJVVHOFIRNKLJD-UHFFFAOYSA-N 366.421 2.089 0 40 FEAB O=C(NC[C@@H](O)CCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 543383373 KQWACMLRKXLCJD-MJGOQNOKSA-N 352.434 2.149 0 40 FEAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)n1 257213148 CGIRQZGKWITBOJ-OAHLLOKOSA-N 354.458 2.126 0 40 FEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 257226547 FLCKTIILHKDGDA-HYVNUMGLSA-N 358.467 2.012 0 40 FEAB Cc1ccnc(OC[C@@H]2CN(C(=O)c3occc3C)Cc3cncn32)n1 253480959 ZYUGKOZMSCIPMQ-HNNXBMFYSA-N 353.382 2.159 0 40 FEAB Cc1ccccc1[C@@H]1CN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CCO1 654638759 IPHWNMWHNJLWLL-HOTGVXAUSA-N 371.441 2.248 0 40 FEAB Cc1c(Br)ccc2[nH]c(C(=O)N(C)Cc3nc(=O)o[nH]3)cc12 1299928551 FSUMUWIAOXXJMU-UHFFFAOYSA-N 365.187 2.187 0 40 FEAB CC(C)(C)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1 605432343 XTHARFGFWBSTSF-UHFFFAOYSA-N 365.459 2.072 0 40 FEAB COc1cccc(CCC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1OC 601983773 ULDVLUYHDLBJNT-MRXNPFEDSA-N 368.433 2.327 0 40 FEAB COc1ncccc1CN1CCn2c(COCC3CC3)nnc2C[C@@H]1C 585097149 GEXZGXIMXLTLMV-AWEZNQCLSA-N 357.458 2.055 0 40 FEAB CCc1noc(C2(NC(=O)[C@H]3CCc4cccc(OC)c43)CCOCC2)n1 585141531 CAFVIZOOYCQEQP-AWEZNQCLSA-N 371.437 2.493 0 40 FEAB COc1cccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)c1 585275996 CWIKSLGQEUKKCZ-OAQYLSRUSA-N 355.434 2.450 0 40 FEAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1 84068182 IZMVDHLGUANCPC-YOEHRIQHSA-N 359.426 2.387 0 40 FEAB CCNC(=O)c1ccc(C)c(NC(=O)[C@@H](CCSC)NC(=O)CC)c1 75358630 MGVXUDQBRJTMOH-CQSZACIVSA-N 365.499 2.331 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N(C)N(C)c2ncccc21 12117726 QTEVYZXMVGKWBP-CYBMUJFWSA-N 351.410 2.282 0 40 FEAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1S(N)(=O)=O 12678649 LWBKKOWCHPTQMA-LLVKDONJSA-N 365.382 2.210 0 40 FEAB COC(=O)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 16139296 OIQAYBMXRCCZEK-INIZCTEOSA-N 361.419 2.124 0 40 FEAB Cc1nnnn1-c1cccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 19662368 KYKOGLDYCCMBKO-SFHVURJKSA-N 368.416 2.143 0 40 FEAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C2CCCCC2)CN3)cc1 19939604 ZRXGAVYGGPTWBB-UHFFFAOYSA-N 356.426 2.052 0 40 FEAB O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@H]1COc2ccccc2O1 5169097 UXQWJRSYMGGILC-ZDUSSCGKSA-N 373.430 2.350 0 40 FEAB Cc1cc(C)c2ccc(N3CCC[C@H](C(=O)N4CCOCC4)C3)nc2n1 1889122658 ZCPAEJJJQXRGHI-INIZCTEOSA-N 354.454 2.322 0 40 FEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCCC1 23077714 YPXBHYFMSXGKHD-UHFFFAOYSA-N 370.453 2.480 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 24261362 DWLRYVYAPIZMQB-UHFFFAOYSA-N 374.418 2.183 0 40 FEAB COc1cccc(N2C[C@@H](NC(=O)COc3ccc(C)cc3)CC2=O)c1 5194974 MDYCNBVHBZLLLU-HNNXBMFYSA-N 354.406 2.304 0 40 FEAB O=C(CSc1nnc(-c2cccnc2)o1)NCc1ccc2c(c1)OCO2 6100405 JQAOOXXWONHRJC-UHFFFAOYSA-N 370.390 2.269 0 40 FEAB O=C(NCc1cccnc1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31807972 GMZVOCIWEIHULY-UHFFFAOYSA-N 360.377 2.306 0 40 FEAB CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(N)=O 101160795 DTFXWKNUJDRQMR-UHFFFAOYSA-N 362.455 2.189 0 40 FEAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1C1CCCCC1 101163440 XUDHNYWKQLAUHI-GOSISDBHSA-N 359.445 2.408 0 40 FEAB Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccco3)o2)P(=O)(O)O)cc1 41154242 LJXSGXKJQJYMLX-HNNXBMFYSA-N 363.266 2.244 0 40 FEAB Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33040101 VMCMZYNGCUFGJF-KBPBESRZSA-N 361.467 2.320 0 40 FEAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 19682151 ROPSQSZKLBOILK-UHFFFAOYSA-N 361.375 2.126 0 40 FEAB CNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(Nc2ccccc2)cc1 4399861 PWEMKHCSDDFDRH-ZDUSSCGKSA-N 371.393 2.196 0 40 FEAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C 6476454 MIEMFZSQGUYRSA-UHFFFAOYSA-N 363.435 2.334 0 40 FEAB C[C@H](OC(=O)COc1ccc(F)cc1Br)C(=O)NC1CC1 7430893 BVDYOFUSGKULPJ-QMMMGPOBSA-N 360.179 2.177 0 40 FEAB CCOC(=O)c1cnc(SCC(=O)OCc2ccc(F)cc2)nc1N 7989770 SQQOFYUMOHHBLF-UHFFFAOYSA-N 365.386 2.210 0 40 FEAB O=C(NC1CCC(O)CC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 84587902 OYHYTDNRTZPAGQ-FVKWTLKZSA-N 373.478 2.103 0 40 FEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 57988844 FECFMSBTVJPYIH-KGLIPLIRSA-N 363.458 2.323 0 40 FEAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)NCC(F)(F)F)c1 8427789 LPLLINGAIVQXJX-SECBINFHSA-N 360.361 2.435 0 40 FEAB CCCCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 8983421 ATKJUMRGFCATOO-UHFFFAOYSA-N 359.451 2.465 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(C)c1 58244195 PKBUXMVZCYZGBE-GFCCVEGCSA-N 366.405 2.166 0 40 FEAB COc1ccccc1CNC(=O)NCc1cccc(NS(C)(=O)=O)c1 10356243 RPBUGMOTAMFOPF-UHFFFAOYSA-N 363.439 2.066 0 40 FEAB Cn1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1=O)SCC2 9560220 ZZGANCIGQJAODA-UHFFFAOYSA-N 351.428 2.298 0 40 FEAB C[C@@H]1c2cccn2CCN1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 45564855 XTFNHHUEPCIWTQ-CQSZACIVSA-N 356.426 2.472 0 40 FEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 11276689 IMHVRQKSQQCMHZ-ZUOKHONESA-N 367.405 2.415 0 40 FEAB COc1ccc(OC)c2[nH]c(C(=O)NCCC(=O)Nc3nccs3)cc12 12390531 PLRGDDZTMUMSFQ-UHFFFAOYSA-N 374.422 2.400 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)n2cccc2)cc1 84773997 AGSWFWXFJCQLQO-HNNXBMFYSA-N 363.483 2.396 0 40 FEAB COc1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc(OC)c1 103008926 BYPOAFSTBQKCOB-HOTGVXAUSA-N 360.410 2.208 0 40 FEAB CN1CCN(c2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 12893674 RLRRQDRTXKCDQO-QGZVFWFLSA-N 372.856 2.429 0 40 FEAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-n2cnnn2)cc1 12820028 UWBOXENVPKRWRQ-UHFFFAOYSA-N 363.299 2.491 0 40 FEAB COc1ccc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1OC 5346672 VNWGZBFNBFQBIJ-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB O=C(Cn1c(=O)c2ccc(Cl)cc2n2nncc12)NCc1ccccc1 4569867 KXJXPBNOECALKW-UHFFFAOYSA-N 367.796 2.014 0 40 FEAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 6658756 VDWNCAZMCANXKE-KRWDZBQOSA-N 353.374 2.330 0 40 FEAB biogenic CCOc1ccc(-n2nnc(C(=O)NCc3cccc(OC)c3)c2N)cc1 9485742 XZRRKEZVZLAQPD-UHFFFAOYSA-N 367.409 2.187 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 6763982 OZJIWOOCXXPVEG-AUJRIZCKSA-N 355.438 2.075 0 40 FEAB CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC[C@@H](O)C3)c2c1 4883138 NLARABIUVYWYLX-LLVKDONJSA-N 356.469 2.172 0 40 FEAB Cc1cccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1O 6990042 CYMLJUYCOUXIGI-SFHVURJKSA-N 355.390 2.458 0 40 FEAB Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cccc1C(=O)N1CCOCC1 67456153 RNYKOPCWQGRBBU-HZPDHXFCSA-N 372.421 2.073 0 40 FEAB CCCCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 7277480 LVIBWIBSLIOPOF-IBGZPJMESA-N 361.442 2.111 0 40 FEAB CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996414 FBFCEAVZAWOFMV-CYBMUJFWSA-N 371.437 2.194 0 40 FEAB COc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCCCC1 19902134 FDCMGIBLJMEVDM-UHFFFAOYSA-N 362.470 2.225 0 40 FEAB C[C@H]1CN(C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@@H](C)O1 19912344 XUFNUSDPUIGUQX-QLFBSQMISA-N 373.449 2.131 0 40 FEAB CS(=O)(=O)CCCN1CCO[C@@H](c2ccc(Br)cc2)C1 75582691 OVMNESQCDQUGSF-CQSZACIVSA-N 362.289 2.257 0 40 FEAB COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71287659 MRJXXZBGYJDENF-LSDHHAIUSA-N 362.426 2.376 0 40 FEAB CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1C 408617920 FDLRMEXHJOGJMU-UHFFFAOYSA-N 358.463 2.492 0 40 FEAB CC(=O)c1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 27467007 GOUUBQFPKGYWEQ-UHFFFAOYSA-N 357.410 2.473 0 40 FEAB CCN(CC)CCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC 36636331 DRZFVLFQWVUQGO-UHFFFAOYSA-N 364.895 2.367 0 40 FEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOc1ccccc1 36742377 LQRMAHUUKOXPKC-UHFFFAOYSA-N 352.390 2.258 0 40 FEAB CC1CCN(C(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)CC1 408975405 JMGQCZAIUQMJMD-UHFFFAOYSA-N 350.378 2.149 0 40 FEAB COc1c(C(=O)N2CCN(c3ccnc(C)n3)CC2)[nH]c2ccccc12 552159176 ZJZRKVVFESPEBT-UHFFFAOYSA-N 351.410 2.237 0 40 FEAB CCCNC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325486 AFRAPJCUPLTSCE-HNNXBMFYSA-N 361.467 2.358 0 40 FEAB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170963 MGZLEYZBRCFBKR-VOTSOKGWSA-N 366.446 2.394 0 40 FEAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1ccc(Cl)s1 75158174 UIPMSOFGILTNKF-AWEZNQCLSA-N 359.856 2.350 0 40 FEAB CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCN(C)CC2)C1 72395266 HAQRXPPOWKUGBM-INIZCTEOSA-N 355.486 2.036 0 40 FEAB COCC(=O)N1CCC[C@@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 72383883 VFNNCBSEHXRREE-HNNXBMFYSA-N 370.457 2.055 0 40 FEAB COc1ccc(Nc2cc(C)nc(NCCNC(=O)[C@@H]3CCCO3)n2)cc1 44213740 RIUIFEVNKFUOEN-INIZCTEOSA-N 371.441 2.244 0 40 FEAB Cc1nnc([C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)s1 42380251 ORMVKKIZFQWAIE-CYBMUJFWSA-N 354.439 2.447 0 40 FEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCN(c2ncccn2)CC1 40104176 VCIRIQGHIXBIKI-UHFFFAOYSA-N 363.324 2.152 0 40 FEAB CCCN(CC(=O)NC)C(=O)/C=C/c1cc(Br)ccc1OC 40157780 QXHDJPMOAKALFL-VMPITWQZSA-N 369.259 2.456 0 40 FEAB COc1cccc(CNC(=O)C2CCN(c3cc(OC)ncn3)CC2)c1 49401977 XQVPYWNYVOHQJO-UHFFFAOYSA-N 356.426 2.027 0 40 FEAB Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O 577778947 KBICROGNTXAMCM-WCIQWLHISA-N 363.498 2.295 0 40 FEAB O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 96183494 RHNSYIHOQKDPKN-RBUKOAKNSA-N 355.413 2.336 0 40 FEAB O=C(Cc1ccccc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238869118 MLTNSZKFGJSOOO-GJZGRUSLSA-N 358.825 2.045 0 40 FEAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21 1592326241 WDTODHUITSDOAC-VFZGTOFNSA-N 351.414 2.114 0 40 FEAB O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108780 NMCIFAYBARWZOI-TZIWHRDSSA-N 359.466 2.147 0 40 FEAB COCc1cnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1)[C@@H]2C 96109572 HSIRIEBHPHYGGP-LLVKDONJSA-N 355.847 2.448 0 40 FEAB CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CCO1 95476737 NLDJWQDSQJSLJN-NEPJUHHUSA-N 374.416 2.129 0 40 FEAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@H]1COCCN1C1CCCC1 585139500 FANMQXMEGUXTKQ-ZWKOTPCHSA-N 360.454 2.270 0 40 FEAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 248011028 GFSUKNUMHITYRS-ZDUSSCGKSA-N 361.373 2.217 0 40 FEAB CO[C@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@]12CCCO2 257342031 ZMUDNGSEWYTHHJ-YJBOKZPZSA-N 370.396 2.496 0 40 FEAB Cc1cc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)nc(C)n1 257241052 HWKHEDFBWRIQPD-GOSISDBHSA-N 354.458 2.057 0 40 FEAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 253480656 YBELUNVLAPCKRH-OAHLLOKOSA-N 366.425 2.349 0 40 FEAB CO[C@@H]1CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 257320580 VXKPGQZFZHMPAE-CRAIPNDOSA-N 370.396 2.496 0 40 FEAB Cc1nccc(N2CCN(C(=O)[C@@H]3OCC[C@@H]3c3ccccc3)CC2)n1 613497829 BDHVPZSPFGKYNH-IEBWSBKVSA-N 352.438 2.006 0 40 FEAB Cc1coc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 1615057499 DTPGZIFDGMZWJJ-MRXNPFEDSA-N 372.469 2.244 0 40 FEAB O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccnn1CC(F)(F)F 629268234 CSZXEWYLGWNZHD-GXFFZTMASA-N 357.336 2.066 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643893761 KCOAHHAHTIOEAZ-OAHLLOKOSA-N 356.426 2.294 0 40 FEAB C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 665145731 QSGQDINLUUDSQU-JAPAREKCSA-N 362.474 2.236 0 40 FEAB O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)C3(Oc4ccccc4)CC3)CC2)O1 1775958207 KLHPIJZOZCUFBP-DLBZAZTESA-N 359.422 2.469 0 40 FEAB COCc1nnc2n1CCN(C(=O)c1ccc(OC)c(Cl)c1)[C@H]2C 585097836 ROVMVBBESLHWMZ-JTQLQIEISA-N 350.806 2.304 0 40 FEAB O=C(CC1CCOCC1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112531 RBDYOPJHVFTRSS-IBGZPJMESA-N 369.465 2.478 0 40 FEAB COc1cccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)c1 585275995 CWIKSLGQEUKKCZ-NRFANRHFSA-N 355.434 2.450 0 40 FEAB COc1ccc(C(N)=O)cc1NC(=O)c1cncc(Br)c1 44700244 KIUMANZRJSGFBN-UHFFFAOYSA-N 350.172 2.204 0 40 FEAB Cc1ccc(F)c(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1 57115986 JWIYQLZNBROKRN-UHFFFAOYSA-N 367.354 2.404 0 40 FEAB O=C(O)C1(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CCCCC1 1574633289 FKYCDMYUEYDETB-UHFFFAOYSA-N 370.331 2.399 0 40 FEAB CS(=O)(=O)c1nc(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccn12 107344633 QUHXCZCGJMHHOY-MELADBBJSA-N 361.467 2.294 0 40 FEAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 109051172 PENZGXZYFOBERB-ZWKOTPCHSA-N 369.465 2.232 0 40 FEAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 12916422 VAQHRYVHFZANHS-CYBMUJFWSA-N 357.410 2.408 0 40 FEAB CCn1cncc1C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 19578516 RDIFVXMKUSZESG-UHFFFAOYSA-N 350.426 2.469 0 40 FEAB c1cc(N2CCCC2)nc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888911934 GIWFZDCVRLEHJV-UHFFFAOYSA-N 357.487 2.132 0 40 FEAB O=C1CO[C@@]2(CCCN(C[C@H]3CCOC3)CC2)CN1c1ccc(F)cc1 2037988887 MOXCIHDVTHPWNM-OXQOHEQNSA-N 362.445 2.450 0 40 FEAB O=C(Cc1noc2ccccc12)N1CCc2ncnc(NC3CC3)c2CC1 1565554246 VMVHECLGUFYONC-UHFFFAOYSA-N 363.421 2.362 0 40 FEAB O=C1C[C@]2(COCCN(Cc3cccnc3)C2)CN1Cc1ccccc1 1565542958 NCWDVEMSAXKWPK-OAQYLSRUSA-N 351.450 2.333 0 40 FEAB O=C(CCc1cncnc1)N1CCC2(C=C[C@@H](N3CCOCC3)CC2)CC1 1565549323 VITWGHJTUAXXSX-LJQANCHMSA-N 370.497 2.069 0 40 FEAB CC1CCC(C(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)CC1 1565549315 UWPSLTFPOJSKAK-NIAPBTPMSA-N 361.486 2.344 0 40 FEAB COc1ccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cc1 5240590 HTEWBDNISMYMIW-UHFFFAOYSA-N 373.390 2.401 0 40 FEAB O=C(CCc1ccccc1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055730225 NSCQDWJZMIDEQM-KRWDZBQOSA-N 369.465 2.113 0 40 FEAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)c1 22468373 YVASKMLRCNGAPQ-HNNXBMFYSA-N 357.483 2.450 0 40 FEAB O=C(Cc1noc2ccccc12)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 38679705 URWJCZYPGBHPJO-TZMCWYRMSA-N 373.434 2.493 0 40 FEAB CCc1ncnc(N2CCN(c3cccc(-n4cc(C)cn4)n3)CC2)c1F 2298060322 GZTGSAIWAAFJGT-UHFFFAOYSA-N 367.432 2.394 0 40 FEAB Cn1c(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc2cccnc21 2298194791 CSPIUJYZMSPFQI-CYBMUJFWSA-N 363.412 2.442 0 40 FEAB COc1cccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(Cl)ccc23)c1 20728425 GWVIPLXJXPGMIH-UHFFFAOYSA-N 369.768 2.485 0 40 FEAB COc1ccc(C(=O)OCC(=O)c2ccc(CCCNC(C)=O)cc2)cn1 21734989 KYZRHADFRWCHOP-UHFFFAOYSA-N 370.405 2.199 0 40 FEAB CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1-c1ccc(C)cc1 24444602 HNLBDWLMHSMQTB-UHFFFAOYSA-N 350.426 2.211 0 40 FEAB CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OCC 932029 BISPFBIKTLHLRB-UHFFFAOYSA-N 371.397 2.047 0 40 FEAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 12552017 GIYOHPOVIVRFQN-UHFFFAOYSA-N 355.423 2.167 0 40 FEAB CCN1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 55374300 ZWLOMZZPQUDCDS-SDXDJHTJSA-N 353.422 2.215 0 40 FEAB O=S(=O)(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccccc1 96000670 UOQBEPGELPCKJT-INIZCTEOSA-N 368.462 2.162 0 40 FEAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 8267711 XZAVVXGBTQZAHS-HNNXBMFYSA-N 357.410 2.208 0 40 FEAB CC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccnc(Cl)c2)c1 44754534 OFWYSMRQBCYTRW-UHFFFAOYSA-N 360.801 2.404 0 40 FEAB O=C(CN1CCC(C(=O)NCc2ccco2)CC1)Nc1cccc(F)c1 58181263 GLLAHBGNFGJKBN-UHFFFAOYSA-N 359.401 2.386 0 40 FEAB N=c1c2nc(-c3cccs3)[nH]c(=O)c2[nH]c(=O)n1-c1ccc(Cl)cc1 100937328 SNXNPSFUUCFRMN-UHFFFAOYSA-N 371.809 2.263 0 40 FEAB Cc1ccc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1NS(C)(=O)=O 58306043 OODNEZUVBVRPQL-UHFFFAOYSA-N 364.471 2.151 0 40 FEAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 58315575 KXYXYQGFVYCDPG-SNVBAGLBSA-N 374.871 2.027 0 40 FEAB Cc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1S(N)(=O)=O 10802732 UBGZXPWORHGHTF-UHFFFAOYSA-N 371.418 2.185 0 40 FEAB NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 45570642 PVBBAQXUICVJDY-LJQANCHMSA-N 366.465 2.422 0 40 FEAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)CCC2 53387002 QYIUMPXCSSREBN-CYBMUJFWSA-N 350.484 2.024 0 40 FEAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2ccco2)CC1 45870893 UZSUASBUHBUMTR-UHFFFAOYSA-N 355.438 2.052 0 40 FEAB CCOC(=O)C[C@H](c1cc(OC)ccc1OC)c1c(O)cc(C)[nH]c1=O 72405857 VLRSDDJDCJZASK-CQSZACIVSA-N 361.394 2.491 0 40 FEAB COc1cccc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c1F 100769184 HMWABPZJYNNSRA-UHFFFAOYSA-N 356.401 2.492 0 40 FEAB CCn1nccc1[C@H](C)NC(=O)c1cc2ncc(Br)cn2n1 2808998 NKLRHZVNNVXPTB-VIFPVBQESA-N 363.219 2.199 0 40 FEAB CN(CCOc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2C1=O 10998885 KBWRRFOJQACGEO-UHFFFAOYSA-N 370.380 2.349 0 40 FEAB C[C@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 103119198 KHGBNZFTJCISQK-GBJTYRQASA-N 372.421 2.079 0 40 FEAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N(C)C1CCCCC1 12791527 APAFWUXZMLLNFN-SUMWQHHRSA-N 359.422 2.491 0 40 FEAB O=C(COC(=O)CNC(=O)c1cccc(F)c1)NCCC1=CCCCC1 3319361 GBKGFVVDKGTMPE-UHFFFAOYSA-N 362.401 2.105 0 40 FEAB aggregator COC[C@H](C)Nc1cnn(-c2ccccc2C(=O)OC)c(=O)c1Cl 48314382 AZPIUBIKGCSVRL-JTQLQIEISA-N 351.790 2.119 0 40 FEAB O=C1CN(C(=O)CSc2cc(F)ccc2F)C2(CCCCC2)C(=O)N1 12811437 WPIHHXOSARZXLI-UHFFFAOYSA-N 368.405 2.245 0 40 FEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1 9217388 INUBJYFFFRIIPR-INIZCTEOSA-N 357.385 2.318 0 40 FEAB COc1cc(OC)cc(C(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)c1 20853978 AKUIAGYHAULCAU-UHFFFAOYSA-N 371.393 2.155 0 40 FEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 9386593 KUUMTBDDAYIICP-VLIAUNLRSA-N 373.453 2.154 0 40 FEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccc(F)cc2)CC1 6270285 PQGGHBRQAXXOHD-INIZCTEOSA-N 369.444 2.181 0 40 FEAB CN(C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 5207893 VBFGCQZXKJTJJO-UHFFFAOYSA-N 368.264 2.495 0 40 FEAB O=C1CSC(CC(=O)Nc2ccccc2I)=N1 4540136 LQVMBAOMDJMCJC-UHFFFAOYSA-N 360.176 2.292 0 40 FEAB O=C(NC[C@H]1CCCO1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438735 TYHOGPSMELZPTK-CYBMUJFWSA-N 372.874 2.179 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 5938627 YIENQXCEIBAMLG-NSHDSACASA-N 358.423 2.416 0 40 FEAB COc1cccc(N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1 7058810 GRJBLGYJGOCMKD-UHFFFAOYSA-N 374.462 2.409 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCc3ccccc32)c1 7587976 QEGXQYGMHPUNHX-UHFFFAOYSA-N 373.478 2.328 0 40 FEAB COc1ccc(CCC(=O)N2CCN(c3ccccn3)CC2)cc1OC 9689999 IWFXPJWFBBGNPF-UHFFFAOYSA-N 355.438 2.380 0 40 FEAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 69737561 MKVBPRXNVFUSBF-MOPGFXCFSA-N 370.474 2.177 0 40 FEAB O=C([C@@H]1CCn2ccnc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 89774625 XFUQDWPTEBHMEV-MRXNPFEDSA-N 358.873 2.443 0 40 FEAB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)O)ccc3OCC)nc12 65735163 UUNWDXYDLDBMRV-UHFFFAOYSA-N 356.382 2.373 0 40 FEAB in-vitro Cc1cccc(-c2nnc(SCC(=O)Nc3ncccc3C)n2N)c1 409153330 MSIWZHSTEUKGEJ-UHFFFAOYSA-N 354.439 2.402 0 40 FEAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nc2c(s1)CCCC2 71287588 LIHSOCXXJXQYGC-UHFFFAOYSA-N 362.480 2.007 0 40 FEAB CN(Cc1ccccc1)C(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38832927 SRXAJARGOYRXBE-SFHVURJKSA-N 374.462 2.262 0 40 FEAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)[C@H]4CC=CCC4)C3)n2)c1 75156498 BTQALEMBRJGAOF-ZDUSSCGKSA-N 366.421 2.378 0 40 FEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 222917025 AMKCELWTPXIQHQ-HNNXBMFYSA-N 358.413 2.410 0 40 FEAB CC(C)CCN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 225465173 VKGBHVQFDFKKKH-OAHLLOKOSA-N 353.532 2.039 0 40 FEAB biogenic,in-vitro Cc1noc(C)c1CC(=O)NCc1nnc2ccc(-c3cccs3)nn12 225764551 WDZMBHJUJYZTOF-UHFFFAOYSA-N 368.422 2.317 0 40 FEAB CSc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470925 JLMXZWVCAIMLTB-UHFFFAOYSA-N 358.467 2.357 0 40 FEAB CC(C)NC(=O)N1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1 96229086 GFNKUUDGQZKTJL-SFHVURJKSA-N 350.438 2.258 0 40 FEAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)sc1C 91037216 AJXNTDIYGNHTGF-UHFFFAOYSA-N 351.497 2.266 0 40 FEAB C[C@H](NS(=O)(=O)c1sccc1Br)[C@@H]1CCCCN1 583652139 ZGSUHQPQTQSDIP-WPRPVWTQSA-N 353.307 2.320 0 40 FEAB Cc1ccc2nc3n(c2c1)[C@@H](CNS(=O)(=O)c1ccccc1)COC3 96112437 KNWDINIDVYRPCH-AWEZNQCLSA-N 357.435 2.395 0 40 FEAB biogenic,in-vitro COc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1 96259317 XXIQCBJEQPVLJN-UHFFFAOYSA-N 368.481 2.463 0 40 FEAB CCc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257235415 GXTAOKQSAWFFFB-FQEVSTJZSA-N 354.454 2.143 0 40 FEAB O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(c2ccccn2)CC1 252528082 FAAHPUFFAFTLQQ-OAHLLOKOSA-N 370.478 2.323 0 40 FEAB O=C(O)c1cccc(O[C@@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@H]2O)c1 257254313 KCNYHZLDDSLFJG-RTBURBONSA-N 352.390 2.490 0 40 FEAB Nc1cc(CC[C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)ccn1 257240524 HTXVYJFTOYPNCT-QGZVFWFLSA-N 359.401 2.042 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1ccccc1OC 257258324 KTIIOYJOSMYFNQ-XLIONFOSSA-N 367.449 2.359 0 40 FEAB CCn1nccc1NC(=O)N1CCN(c2ncnc3sccc23)CC1 539427161 MHAINISGYBRTHT-UHFFFAOYSA-N 357.443 2.262 0 40 FEAB CN(C)Cc1ccnc(NC(=O)N(C)C2CCN(c3cnccn3)CC2)c1 640569687 UHZDXGFGAQXTAZ-UHFFFAOYSA-N 369.473 2.066 0 40 FEAB CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)s1 654541512 PDKAZVDUMPQCDU-GFCCVEGCSA-N 372.512 2.443 0 40 FEAB Cc1cn(CC(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)nc1C(F)(F)F 1775958035 YOURPKDNLPMMNC-NWDGAFQWSA-N 357.336 2.050 0 40 FEAB CC/C=C(\C)C(=O)N1CCOC2(CCN(c3cc(C)nc(OC)n3)CC2)C1 1775992259 QIDGIDKCBRQXCM-GIDUJCDVSA-N 374.485 2.348 0 40 FEAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 575405219 XHNMYUZSLHTARJ-INIZCTEOSA-N 361.486 2.199 0 40 FEAB CC(C)(CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C1=CCCCC1 585123284 WVHAXUTUSQXCHL-UHFFFAOYSA-N 374.489 2.250 0 40 FEAB CN(C)c1cc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3)ncc1Br 667664912 GHGSHZUKBVUSPJ-ZACCUICWSA-N 368.279 2.315 0 40 FEAB Cc1nc(-c2cc(C[C@H]3CCCN(S(C)(=O)=O)C3)ncn2)sc1C 585179634 UOWDAWBXCUMZMQ-CYBMUJFWSA-N 366.512 2.431 0 40 FEAB COc1ccc(CC(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)cc1 85468241 VJEPSRVILGCWHH-QGZVFWFLSA-N 359.514 2.112 0 40 FEAB Cc1nc2cc(-c3nccn3C)nn2c(NCCCn2ccnc2)c1C 12087626 LDZDIJBWEAZERI-UHFFFAOYSA-N 350.430 2.445 0 40 FEAB Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cnn(C)c3)nn2c(O)c1C 12337821 RXBYNWMZOVLDEP-HNNXBMFYSA-N 354.414 2.153 0 40 FEAB CCN1CCN(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)CC1 12993653 RKHBUGUDBBSIMC-OAHLLOKOSA-N 357.454 2.196 0 40 FEAB CCOC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19530512 LWTSGJMLGFUECV-UHFFFAOYSA-N 353.802 2.287 0 40 FEAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1OC 19567382 JRHHWWJRVUBDPQ-MRXNPFEDSA-N 368.437 2.117 0 40 FEAB Cc1cccc(N2CCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)c1 14679229 LJMNLJPDIDBXQL-UHFFFAOYSA-N 362.433 2.204 0 40 FEAB CCN(C(C)=O)c1nc(Cn2nc(-c3cccs3)oc2=O)cs1 23199974 QJBDCZKMPYBBEV-UHFFFAOYSA-N 350.425 2.442 0 40 FEAB COc1ncccc1C(=O)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888876207 GVMPXEQYIZGKEO-ORAYPTAESA-N 372.400 2.341 0 40 FEAB Cc1ncnc(OC[C@@]23CCC[C@@H]2CN(c2ccc4nncn4n2)C3)c1C 1888904030 XPJPINNPNNXPLQ-BEFAXECRSA-N 365.441 2.217 0 40 FEAB O=C([C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCSCC1 1889108517 ZXPIKXNQJIIRIK-ZDUSSCGKSA-N 351.541 2.419 0 40 FEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NCCc1ccc(F)cc1 22543880 LVEQGSMJRRPTCL-CYBMUJFWSA-N 350.419 2.246 0 40 FEAB COc1cccc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c1 2037985213 BMQCXLCTIHGUDZ-HXUWFJFHSA-N 360.454 2.327 0 40 FEAB CN(C1CCN(c2ncccc2Br)CC1)S(=O)(=O)C1CC1 2086967255 XJNVYMYDUIPGHJ-UHFFFAOYSA-N 374.304 2.237 0 40 FEAB O=C(c1cn[nH]c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087138890 PRSGMTRQAOWHBA-ZWNOBZJWSA-N 351.332 2.174 0 40 FEAB COc1ccc(C(=O)N2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)c(C)c1 2055772576 YDZTYMAWGCPYJB-IAOVAPTHSA-N 356.426 2.422 0 40 FEAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cnsn2)CC1 585148949 QUMBGUNEEVAART-UHFFFAOYSA-N 356.373 2.448 0 40 FEAB Cc1csc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)n1 4329612 QKZGPEASUURJMF-UHFFFAOYSA-N 368.465 2.294 0 40 FEAB O=C1NC(=O)[C@@H]2[C@H]1[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)c1cccs1 4295946 XLFNYHYQPWIONB-FZKCQIBNSA-N 350.399 2.229 0 40 FEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cccnc1 36584970 YZDJZWRGXAJAAA-LJQANCHMSA-N 360.417 2.134 0 40 FEAB CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 50029792 XQKPZMSHUWATBA-LJQANCHMSA-N 351.450 2.327 0 40 FEAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1)C1CC1 50446648 OUGVTSUBTOJQRA-OAHLLOKOSA-N 355.438 2.166 0 40 FEAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CCO1 50853151 LTOVNICUHVZIAV-NFAWXSAZSA-N 371.462 2.059 0 40 FEAB C[C@@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)Cc2ccccc2C(=O)O1 32772624 LJLSEUWLLQGZTK-SFHVURJKSA-N 359.403 2.200 0 40 FEAB CC(C)CNC(=O)[C@@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1 32797311 FSELARATLYJITJ-MRXNPFEDSA-N 367.921 2.497 0 40 FEAB CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 21559302 ASEAHELUTPASFH-HNAYVOBHSA-N 358.394 2.014 0 40 FEAB Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccco3)o2)P(=O)(O)O)cc1 41154239 LJXSGXKJQJYMLX-OAHLLOKOSA-N 363.266 2.244 0 40 FEAB O=C(Cn1nnc2ccccc21)NCc1ccc(OC[C@H]2CCCO2)cc1 32930246 YEMPROPXAGPGEL-QGZVFWFLSA-N 366.421 2.306 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1 33005226 OJMHVJMHYNVDBZ-UHFFFAOYSA-N 357.435 2.064 0 40 FEAB C[C@H]1CCc2nc3ccccc3c(C(=O)NNC(=O)[C@H]3CCCO3)c2C1 53508487 KCKTWRBQDZCMCJ-YVEFUNNKSA-N 353.422 2.300 0 40 FEAB O=C(CCC(=O)N1CCOCC1)NCCc1cccc(Cl)c1Cl 53964840 KWYNLPWJTIIOSI-UHFFFAOYSA-N 359.253 2.291 0 40 FEAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 23445494 DGRMRPKHHHBINS-ZIAGYGMSSA-N 362.451 2.287 0 40 FEAB O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2ncccn2)CC1 23703296 WDUDBOMGEORXQY-UYAOXDASSA-N 368.481 2.054 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)C1 55028423 OOZVHKFVONVCOF-MRXNPFEDSA-N 364.534 2.341 0 40 FEAB Cc1cccc(OCCN(C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 24771695 SMNCDECZFPWUSB-GFCCVEGCSA-N 361.364 2.082 0 40 FEAB O[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]2O[C@H](c3ccccc3)O[C@@H]21 4829706 DZDXMNRIZOWGEP-YBRIYBKASA-N 356.374 2.301 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)OC 1907681 YKWVIQPJNXTICW-BBATYDOGSA-N 361.394 2.184 0 40 FEAB biogenic Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1C 2078611 CZFRBNRMYDNMLM-FDCRZUCXSA-N 369.417 2.060 0 40 FEAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1 58194374 JLFDXGRXKRIIOD-OAHLLOKOSA-N 366.464 2.002 0 40 FEAB O=C1CN(S(=O)(=O)CCc2ccccc2)C[C@@H]2c3ccccc3CCN12 36071124 UTRHRZFVVMKGQT-LJQANCHMSA-N 370.474 2.001 0 40 FEAB Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)[nH]n1 96001884 IOFWAJGQNVDQJC-AWEZNQCLSA-N 355.402 2.259 0 40 FEAB CC1=C[C@H]2[C@@H]3C(=O)NC(=O)[C@H]3[C@@H](C(=O)c3cccs3)N2c2ccccc21 103461253 WTEMHUNGHRHHAV-LLLHUVSDSA-N 364.426 2.494 0 40 FEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 27823591 VIJYWNYRLCDKRB-UHFFFAOYSA-N 367.254 2.456 0 40 FEAB O=C(NCCCN1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 28029873 DAMOTWMAXCVBHA-UHFFFAOYSA-N 360.426 2.289 0 40 FEAB NC(=O)[C@@H](c1ccccc1)N1CCN(c2cc(OCC3CC3)ccn2)CC1 96006360 OUFZSGRBANASQZ-HXUWFJFHSA-N 366.465 2.219 0 40 FEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 29194149 DMEMGCBIJVFUKW-LBPRGKRZSA-N 356.444 2.194 0 40 FEAB O=C(CCNC(=O)Nc1ccccc1)NCCc1cn2ccccc2n1 11534260 VUWFSMDJOVADTA-UHFFFAOYSA-N 351.410 2.205 0 40 FEAB CNC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)no2)cc1 45812470 GCBJHZLQUKHSCE-UHFFFAOYSA-N 371.418 2.180 0 40 FEAB Cc1c(C(=O)O)sc2nc(Cc3nc4ccccc4n3C)[nH]c(=O)c12 12604442 AMSDWJPHHZXHLU-UHFFFAOYSA-N 354.391 2.469 0 40 FEAB C[C@@H](NC(=O)COC(=O)c1nccnc1N)c1ccc(Cl)cc1Cl 21462097 AZDHJAMDKVSVJY-MRVPVSSYSA-N 369.208 2.400 0 40 FEAB CCCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)[C@H]1CCS(=O)(=O)C1 29763160 KILCAXQFLJBKMR-DZGCQCFKSA-N 357.859 2.069 0 40 FEAB O=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)c2ccco2)CC1 48172257 KPSQRMHLJWETLL-UHFFFAOYSA-N 369.425 2.265 0 40 FEAB Cc1oc(-c2ccccc2)nc1CC(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 47342969 UZQZQBVCALCPTQ-UHFFFAOYSA-N 360.377 2.433 0 40 FEAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 3399899 BLLRHAJHQZUFLI-UHFFFAOYSA-N 356.378 2.319 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 12892435 QNCJUJQBRLKIHY-UHFFFAOYSA-N 360.439 2.357 0 40 FEAB CC(=O)CCc1ccc(OC[C@H](O)Cn2cnc3ccsc3c2=O)cc1 12904322 KZWAIZXGHVZSKM-OAHLLOKOSA-N 372.446 2.420 0 40 FEAB COc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1OC 63628519 CZEJFVHHOAZJPC-UHFFFAOYSA-N 369.370 2.366 0 40 FEAB CCN1CCN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22031267 GHROGGCQUFSVEG-AWEZNQCLSA-N 361.446 2.362 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(Br)cc1 409376424 XZHUSBQKIZRHBB-BLTAXRJOSA-N 352.184 2.432 0 40 FEAB COc1cc2c(cc1OC)CN(C(=O)CSc1nncs1)CC2 5345297 WFNLRTRCOKWKKM-UHFFFAOYSA-N 351.453 2.232 0 40 FEAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14240953 DMJDXUCFTMSHRC-SNVBAGLBSA-N 372.454 2.293 0 40 FEAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 5517279 APVLWLHWRDDGKT-AWEZNQCLSA-N 370.236 2.480 0 40 FEAB C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)C1 7347371 WWYWJUIYASIBCZ-CQSZACIVSA-N 360.483 2.165 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 28700492 HVXWXKTXPUSNJR-YNHQPCIGSA-N 374.824 2.403 0 40 FEAB CCC(CC)NC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 98065766 DXOONGZPWJIZIG-OAHLLOKOSA-N 365.499 2.445 0 40 FEAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NC(C)(C)C)=C2C 20063915 XCUYWMYCSOSVSB-UHFFFAOYSA-N 368.455 2.129 0 40 FEAB CNc1snc(C)c1C(=O)OCC(=O)NC(=O)OCc1ccccc1 8726117 PPOTYDMOJMBNMQ-UHFFFAOYSA-N 363.395 2.103 0 40 FEAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1sccc1C(N)=O 8778436 OQSBFPOWBOEWQP-ZETCQYMHSA-N 354.334 2.309 0 40 FEAB Cc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2ccccc12 84068116 KFJQYIIMBZCLCT-UHFFFAOYSA-N 354.435 2.148 0 40 FEAB COCCCNC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113506 BGOCSNMDPBZSDC-UHFFFAOYSA-N 373.478 2.372 0 40 FEAB CCC(=O)N1CCC(N[C@H](c2ccc(F)c(F)c2)c2ncon2)CC1 95988506 VAYCOKVTLHDQIQ-MRXNPFEDSA-N 350.369 2.428 0 40 FEAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1Cl 97015171 ZVJCUGADHWFKHG-LLVKDONJSA-N 374.825 2.030 0 40 FEAB C[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)CN1CCCC1=O 84638370 DDCHLIPERPXTQN-KBPBESRZSA-N 372.469 2.190 0 40 FEAB COCCn1c(C)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc1=O 30822911 YFKJKQPJFYHQNQ-UHFFFAOYSA-N 356.407 2.045 0 40 FEAB O=C(NCc1nc(-c2ccccc2)no1)C(=O)NCc1ccccc1Cl 38718395 LNYCXVVFTIKJBN-UHFFFAOYSA-N 370.796 2.323 0 40 FEAB COc1ccc2nnc(CCC(=O)Nc3cc(F)c(F)c(F)c3)n2n1 71288692 PLSBICWIGJRQSZ-UHFFFAOYSA-N 351.288 2.122 0 40 FEAB O=C(Cc1noc2ccccc12)NCCn1nc(-c2ccco2)ccc1=O 38488769 NHLRMDWDCZASHB-UHFFFAOYSA-N 364.361 2.003 0 40 FEAB COc1ccc(CCNC(=O)COC(=O)Cc2cccc(C)c2)cc1OC 72331118 JZBDLMLJYCEUCM-UHFFFAOYSA-N 371.433 2.457 0 40 FEAB Cc1nn2c(nnc3c(=O)n(CCO)ccc32)c1-c1ccc(Cl)cc1 40395963 YMPUFJGHFRDCJK-UHFFFAOYSA-N 355.785 2.060 0 40 FEAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cn1 47529582 BAMJZHWWUJJTDE-SNVBAGLBSA-N 363.215 2.174 0 40 FEAB O=C(c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12)N1CCCO1 96037972 RLYHBNAMRAHMBN-UHFFFAOYSA-N 366.406 2.421 0 40 FEAB CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(c1ccncn1)CC2 96260579 NYPZQAXHUJDJKV-UHFFFAOYSA-N 366.469 2.001 0 40 FEAB O=C(C1CC(F)(F)C1)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107810 LYIAQWYTERNSLA-WBVHZDCISA-N 352.381 2.404 0 40 FEAB Cc1cccc(COC[C@H]2C[C@H]3OCCN(Cc4nccn4C)[C@@H]3C2)n1 96250707 VRNUWDNDZPVIPC-BHIYHBOVSA-N 356.470 2.320 0 40 FEAB CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2)CCS(=O)(=O)CC1 91690234 ZZBRUQHSQYIFTR-UHFFFAOYSA-N 368.455 2.097 0 40 FEAB O=C(N[C@@H](CO)c1ccccc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 230213693 JUKGOOPAXFBPIB-INIZCTEOSA-N 365.389 2.311 0 40 FEAB Cc1nc(N2CC[C@H](n3cc(C(=O)O)nn3)C2)c2c3c(sc2n1)CCC3 583376513 RFUPFBDUNXXPKB-JTQLQIEISA-N 370.438 2.230 0 40 FEAB CCS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 96209110 AJRHYIYCQXEUDP-HZPDHXFCSA-N 358.529 2.201 0 40 FEAB O=C(Cc1nnc(O)c2ccccc12)NCc1noc2cc(F)ccc12 1596138719 HRHZHSKEQGPFDR-UHFFFAOYSA-N 352.325 2.475 0 40 FEAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2ccc(F)cc21 96345002 VISTVKOANULCJH-UHFFFAOYSA-N 368.412 2.032 0 40 FEAB Cc1cccn2c(CN3CCC[C@](O)(c4cn(C(C)C)nn4)C3)cnc12 583617467 VXICNINEEVINMY-LJQANCHMSA-N 354.458 2.299 0 40 FEAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)CN3CCCC3)CC2)C1 257255959 KJOHGBJPMDKVAV-LJQANCHMSA-N 357.498 2.369 0 40 FEAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 604382047 AVYNEWQZTJGZME-NCXUSEDFSA-N 361.873 2.129 0 40 FEAB biogenic,in-vitro COc1c(Br)ccc(B(O)OC(C)(C)C(C)(C)O)c1Cl 352067571 CBFZGXONNCKORQ-UHFFFAOYSA-N 365.460 2.365 0 40 FEAB CS(=O)(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 274006540 ABZCQIPLWXGSQN-INIZCTEOSA-N 373.478 2.399 0 40 FEAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2NC1=O 665562478 PUZJHDKQCLMNTF-IGHBBLSQSA-N 357.410 2.039 0 40 FEAB Cc1nc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)sc1C(=O)O 679398769 LEQAZRGLCDDGBI-RYUDHWBXSA-N 374.418 2.341 0 40 FEAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 1775957499 XTGSHCIEPSESHU-ZMSDIMECSA-N 357.410 2.287 0 40 FEAB CCc1cnc(CN(C)C(=O)[C@@H]2CN(CC)C[C@H]2c2cn(C)cn2)s1 1614996144 ZYYTYBBYEVJRSH-HUUCEWRRSA-N 361.515 2.133 0 40 FEAB Cc1noc(CN2CCCC[C@H](NC(=O)c3cccn3C(C)C)C2=O)n1 643957701 GWJYVFYACIXNFU-AWEZNQCLSA-N 359.430 2.072 0 40 FEAB O=C(c1cc2ccccc2o1)N1CCC(CNC(=O)N2CCNC2=O)CC1 96120403 KFGOQNBZKXCYPF-UHFFFAOYSA-N 370.409 2.020 0 40 FEAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](CC(=O)O)C2)c1 583801763 MXQZTSLIYYNAFG-STQMWFEESA-N 363.414 2.379 0 40 FEAB COc1cc(-c2noc([C@@H]3CCc4nnn(C5CCC5)c4C3)n2)ncn1 1775960246 AQFIBOCWTQNQGX-SNVBAGLBSA-N 353.386 2.124 0 40 FEAB CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 55505158 QPZADWIOYPXCHT-LJQANCHMSA-N 358.482 2.495 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccc(F)cc2)nc(O)n1 1615087768 ZBYRCMLNOGRBBX-RDJZCZTQSA-N 358.417 2.065 0 40 FEAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H]4CCCO4)nn3cn2)cc1 12085162 SZNMEMISJLVCLU-BLLLJJGKSA-N 367.409 2.156 0 40 FEAB COc1ccc(C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)cc1 12145851 JZDZCVCYWUXOIK-UHFFFAOYSA-N 364.405 2.277 0 40 FEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 12199851 JUABPAFDPLYUDB-UHFFFAOYSA-N 370.430 2.482 0 40 FEAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2cnc(SC)nc2)C1 12325491 DJFACSUYCASXPD-GOSISDBHSA-N 359.451 2.331 0 40 FEAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19021639 HPNGXDNJGWKZAS-MRXNPFEDSA-N 369.469 2.074 0 40 FEAB CC(=O)N1CCN(c2nc(C)nc3c2CCN(Cc2ccccc2)C3)CC1 19286206 ZNSPIHVZBJNFLB-UHFFFAOYSA-N 365.481 2.012 0 40 FEAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)[C@@H]1CCCO1 19343995 NQEZCGNIWJLZQD-HNNXBMFYSA-N 369.450 2.364 0 40 FEAB CN(C(=O)[C@@H]1CCCO1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586674 FHWBZYJVYCEWEP-WSGJVKOYSA-N 358.438 2.128 0 40 FEAB CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@@H]2CCCNC2)n1 19709695 UXYROWLLWBVEOE-QGZVFWFLSA-N 367.497 2.495 0 40 FEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)n2)cc1 169680737 ZZCZHLMJVAXOGW-OIISXLGYSA-N 365.433 2.247 0 40 FEAB Cc1ccc(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19209866 TUKMOHXEQCMVHU-KRWDZBQOSA-N 350.466 2.379 0 40 FEAB Cn1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 575607938 SLBISAIMDDWDGN-HNNXBMFYSA-N 370.428 2.318 0 40 FEAB O=C1[C@@H]2CN(c3ncnc4ccc(F)cc34)C[C@H]2C(=O)N1c1ccccc1 1888930484 VWAFHTQBCQRCPS-HZPDHXFCSA-N 362.364 2.395 0 40 FEAB O=S(=O)(NC1CCN(c2nc3ccc(F)cc3s2)CC1)C1CC1 1889136108 AJDSNAJVILSGHU-UHFFFAOYSA-N 355.460 2.486 0 40 FEAB COC(=O)c1cccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 25672124 JGKXFJCORVZPNB-UHFFFAOYSA-N 360.343 2.347 0 40 FEAB CCc1nccn1CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037908873 CESAUGOTMCEWRV-LJQANCHMSA-N 361.417 2.017 0 40 FEAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O 1565541915 QPWMGJKCHWXUKK-BEFAXECRSA-N 356.447 2.215 0 40 FEAB COc1ccc(OCC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 4497119 VTOASIXEZZNFHQ-CQSZACIVSA-N 370.405 2.004 0 40 FEAB COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n(N)c2=O)cc1 5257150 ZVAPMWYPQHZRFJ-UHFFFAOYSA-N 372.425 2.383 0 40 FEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cccnc2)CC1 2055747448 AKTBROVRFKCQFZ-UHFFFAOYSA-N 354.454 2.283 0 40 FEAB Cc1occc1C(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745769 ZHLYQKJGBFSRKI-UHFFFAOYSA-N 374.466 2.410 0 40 FEAB CC1CCC(CNC(=O)Cc2nnc(N)s2)(N2CCCCC2)CC1 19655278 HQGLPOJBXSXALP-UHFFFAOYSA-N 351.520 2.214 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 40074550 ABUGDOWNZGARMN-HUUCEWRRSA-N 369.508 2.217 0 40 FEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2cnn(C)c2)n1 40143296 IACOUKGBJFPUCS-ZDUSSCGKSA-N 370.434 2.456 0 40 FEAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 32777647 VJIDWHPAYIFUMG-NSHDSACASA-N 358.419 2.340 0 40 FEAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 103419332 CYBLQKAJJGAVSR-RBSFLKMASA-N 367.515 2.242 0 40 FEAB O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCSCC3)ccc21 53802648 CNDOQVWPURULOV-UHFFFAOYSA-N 373.455 2.253 0 40 FEAB NC(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1719754 IUQNMZKPHCCBAW-INIZCTEOSA-N 372.377 2.120 0 40 FEAB Cc1cccc(CC(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)c1 7423007 FIADVYSIDWWODL-UHFFFAOYSA-N 363.421 2.242 0 40 FEAB Cc1cc2c(cc1S(=O)(=O)NC[C@@H]1C[C@H]3CC[C@H]1C3)NC(=O)CO2 103545333 MFCNMKJOPZSIQM-AVGNSLFASA-N 350.440 2.040 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 58163650 DRLJXOJZZIIGSW-PWSUYJOCSA-N 355.822 2.154 0 40 FEAB NC(=O)c1cccc(OCCC(=O)Nc2ccccc2N2CCCC2=O)c1 75107243 YQGZKDPMALPDNF-UHFFFAOYSA-N 367.405 2.320 0 40 FEAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NC[C@@H](c1ccco1)N(C)C)(C3)C2 103019461 QQYANPIIHVTJET-QGGNESHTSA-N 373.497 2.474 0 40 FEAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2145756 MNAPPUZUHREFBX-NWDGAFQWSA-N 373.405 2.337 0 40 FEAB biogenic CCOC(=O)c1c(NC(C)=O)sc2cc(CNCCOC=O)ccc12 9943043 VWLQKGIIZPPQSA-UHFFFAOYSA-N 364.423 2.299 0 40 FEAB COc1ccc(NC(=O)c2ccc(Br)o2)cc1-n1cnnn1 36365045 HBJRERKYJHLNNR-UHFFFAOYSA-N 364.159 2.279 0 40 FEAB O=C1[C@H]2N=NN(Cc3nc(-c4ccccc4)no3)[C@H]2C(=O)N1c1ccccc1 101277454 GVWWWFAPIJDUQY-JKSUJKDBSA-N 374.360 2.230 0 40 FEAB COc1ccc(N(CCCC(=O)NC2CCCC2)S(C)(=O)=O)cc1 113966742 SZCBWGYJJIABMV-UHFFFAOYSA-N 354.472 2.300 0 40 FEAB CNS(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1 11356264 XFKPQKSNOGDOMY-UHFFFAOYSA-N 354.472 2.064 0 40 FEAB COc1ccc(Br)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 45750984 JJWUBXBTCBPABU-CQSZACIVSA-N 367.243 2.341 0 40 FEAB Cc1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 3271152 ORBWEXKLOVTVQR-UHFFFAOYSA-N 365.389 2.346 0 40 FEAB O=C(c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCCC1 11998574 NSTXVQLTEVVOHN-HNNXBMFYSA-N 359.451 2.146 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 2644123 ANQBKWAFNVCJAA-CQSZACIVSA-N 354.406 2.283 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)nn1-c1ccccc1 46954298 YASCAWYKOWWRIG-DOTOQJQBSA-N 368.481 2.391 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(N2CCOCC2)cc1 2867151 KWKPMFFCXCZBDR-UHFFFAOYSA-N 353.378 2.070 0 40 FEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCc2ccccc21 3398785 BTMXOMYSACEJCH-LJQANCHMSA-N 370.474 2.352 0 40 FEAB CCn1nnc2cc(C(=O)NCc3cc(OC)c(OC)cc3OC)ccc21 12817150 BJKPOFAMEYPPAL-UHFFFAOYSA-N 370.409 2.407 0 40 FEAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12865891 ZSYXBYNTRYAKIC-UHFFFAOYSA-N 369.377 2.115 0 40 FEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 13362342 SWVJSENQRWRARH-UHFFFAOYSA-N 352.343 2.283 0 40 FEAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 4588793 JBHZBSPYWXTILY-NSHDSACASA-N 371.345 2.386 0 40 FEAB CCn1c(=S)sc2c(=O)n(CC(=O)NCc3ccco3)c(C)nc21 6661206 NALSJVWBZBZAFX-UHFFFAOYSA-N 364.452 2.227 0 40 FEAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 9503962 AGTUKGWKHFUFPG-JLTOFOAXSA-N 371.437 2.007 0 40 FEAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cnc2ccccc2c1 66221352 QBMIHYRNSVIWGC-UHFFFAOYSA-N 350.378 2.202 0 40 FEAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9500139 VKPHQIVQYQMXLZ-RMKNXTFCSA-N 368.389 2.064 0 40 FEAB NC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1 67287957 GBVQWPPBNZOWRB-UHFFFAOYSA-N 370.428 2.312 0 40 FEAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1C(=O)c2ccccc2C1=O 7215783 AMBRSOLAIDGXCF-WBMJQRKESA-N 350.374 2.311 0 40 FEAB CN(C)CCN(Cc1cccnc1)C(=O)Cc1ccc(-n2cccn2)cc1 83851071 AWBITJVKFVDJOM-UHFFFAOYSA-N 363.465 2.400 0 40 FEAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 7677768 DIABZEBFXPGZFZ-LBPRGKRZSA-N 367.434 2.486 0 40 FEAB Cn1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)ccc1=O 7813961 UEIBUEPFCGAXHJ-UHFFFAOYSA-N 364.409 2.018 0 40 FEAB CSc1ccc(N2C[C@H](C(=O)NC[C@H](O)c3cccnc3)CC2=O)cc1 83992883 PTXCTEPOQAJYHZ-PBHICJAKSA-N 371.462 2.006 0 40 FEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(C)cc1 22251476 REHALEDQPZDIQG-UHFFFAOYSA-N 362.451 2.329 0 40 FEAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1F 8308745 YGDYMUCGCGFINE-GFCCVEGCSA-N 359.401 2.392 0 40 FEAB CC(=O)c1cccc(S(=O)(=O)NCC2CCC3(CC2)OCCO3)c1 72307447 AXMJPBZSFURDKH-UHFFFAOYSA-N 353.440 2.101 0 40 FEAB O=C1N[C@H](CC(=O)N2CC[C@H](c3ccccc3)C2)C(=O)Nc2ccccc21 85876378 MBBBRDXSKRRGFX-MAUKXSAKSA-N 363.417 2.143 0 40 FEAB biogenic COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 30437995 AQEOQGBFTBYFGJ-UHFFFAOYSA-N 351.424 2.370 0 40 FEAB O=C(c1nnc2n1CC1(CCN(Cc3ccccc3)CC1)C2)N1CCCC1 306127214 FRXVXGHYWADLPD-UHFFFAOYSA-N 365.481 2.353 0 40 FEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217662030 SPEIZRGCNCFVQA-VXGBXAGGSA-N 358.460 2.299 0 40 FEAB O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 33584059 LCYSZGKKPCMNIQ-LFGHMXSPSA-N 374.418 2.189 0 40 FEAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2ccnc2)nn1 72341636 ZAJCHZFDVVXDFK-QGZVFWFLSA-N 356.405 2.433 0 40 FEAB Cc1cc(OCC(=O)N[C@@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 16041173 MRKPIEDYLQYHHC-GOSISDBHSA-N 373.405 2.194 0 40 FEAB biogenic CCc1nnc(Nc2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1 72360244 OHWLSUWHEIFGCZ-LLVKDONJSA-N 368.488 2.039 0 40 FEAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)CCS(=O)(=O)c1ccccc1 225788996 LVGBTXUQTGESNO-GOSISDBHSA-N 373.474 2.450 0 40 FEAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCC(C)(C)C 226054511 MJTKRMXUECAFNN-UHFFFAOYSA-N 356.488 2.223 0 40 FEAB O=C(C1CCOCC1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96058359 XHQYFUJSOVSHOY-UFYCRDLUSA-N 356.466 2.042 0 40 FEAB CCn1nc(C)cc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247828065 KFULNSRDGCGXPY-AWEZNQCLSA-N 358.467 2.386 0 40 FEAB Cn1cnc(S(=O)(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)c1 257219818 DIGVZOBSWPAASU-AWEZNQCLSA-N 356.451 2.222 0 40 FEAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)CC1 257300534 RUQRWTJQLMENBS-QGPMSJSTSA-N 358.486 2.333 0 40 FEAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(CN2CCCC2=O)cc1 604968418 LVKVFRRMENBVNV-UHFFFAOYSA-N 363.417 2.347 0 40 FEAB CCc1nc2ccc(Cl)cn2c1C(=O)N1CCc2cnc(N)nc2C1 623323737 ZFYAPIHHTTVXPQ-UHFFFAOYSA-N 356.817 2.121 0 40 FEAB CC(C)Oc1cccc(CC(=O)N2CCN(CCc3cnccn3)CC2)c1 634511129 CFZQQXOXSKYTSY-UHFFFAOYSA-N 368.481 2.193 0 40 FEAB Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)ccc1-n1cnnn1 647007315 BNVWTUGOIWTMAB-HNNXBMFYSA-N 366.400 2.119 0 40 FEAB O=C([C@@H]1CC12CCN(c1cc(-n3ccnc3)ncn1)CC2)N1CCCCC1 678411017 VXPFNFHPBHGGGB-INIZCTEOSA-N 366.469 2.281 0 40 FEAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 585095670 AQTHIZOHWYXZOS-FRFSOERESA-N 372.494 2.233 0 40 FEAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)COC2 685942435 QDSYXQWKXXAIBR-MLGOLLRUSA-N 356.426 2.082 0 40 FEAB CCCCCCC(=O)N(C)CCN(C)C(=O)CNC(=O)CCC(C)C 1775988780 HXHBBGLBRQHJOO-UHFFFAOYSA-N 355.523 2.426 0 40 FEAB COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H](C(=O)O)C1 62117864 MRTBNVZYWBXSHL-XGQHYKRYSA-N 354.200 2.404 0 40 FEAB CC(=O)CCCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615161278 UDPWFLWINHCDIG-UHFFFAOYSA-N 358.438 2.170 0 40 FEAB COc1ccccc1C1(O)C[C@@H]2CC[C@H](C1)N2c1ncnc2[nH]cnc12 12113113 IKSYRYBGTSRKBA-ZHZUQJFRSA-N 351.410 2.381 0 40 FEAB CC[C@H](C(=O)NCCCOC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716068 ZAUAEDGAVNFJEZ-MRXNPFEDSA-N 356.488 2.001 0 40 FEAB COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 13999438 LBESSFUJFKBCBV-AWEZNQCLSA-N 368.389 2.093 0 40 FEAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)[C@H]2C1 19345035 QXEBZJHSIHWELW-NEPJUHHUSA-N 374.915 2.423 0 40 FEAB CCC(CC)C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 19500071 CUZCHXHKLBVRCC-OAHLLOKOSA-N 358.490 2.140 0 40 FEAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc(OC)c3)C2)no1 19593545 CFCPBSXIWHOMAC-MRXNPFEDSA-N 373.453 2.439 0 40 FEAB CNc1nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nc2c1CCNC2 19711563 CGXLQRMWTFZVDW-CQSZACIVSA-N 355.486 2.226 0 40 FEAB Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2CCCc3scnc32)CC(=O)N1C 623970569 UKIMMKQPXNPYOB-SNUQEOBHSA-N 359.499 2.432 0 40 FEAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)c1 5409468 SEBAONBWIWUZMY-UHFFFAOYSA-N 371.437 2.376 0 40 FEAB C[C@@H]1CCCC[C@H]1NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233549 WUXYIRNGRZYWIF-UKRRQHHQSA-N 353.426 2.099 0 40 FEAB O=C(OCn1nnc2ccccc2c1=O)c1cc(O)c2ccccc2c1O 5204011 FHMZGZPIILKVNU-UHFFFAOYSA-N 363.329 2.170 0 40 FEAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cc(-c4cccnc4)on3)C2)nn1 1888890372 FUVZXQILXOTGAZ-AWEZNQCLSA-N 365.393 2.376 0 40 FEAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(C(C)C)cc1 5056463 HBVGSNNNBXEJGX-UHFFFAOYSA-N 351.410 2.107 0 40 FEAB CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2OC)[nH]c1=O 5021617 VTBCHEUOLLCEGZ-UHFFFAOYSA-N 363.439 2.389 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)N3c4ccccc4C[C@H]3C(N)=O)c2O1 10255823 DNUAEBGHCORDQY-INIZCTEOSA-N 366.417 2.222 0 40 FEAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)c(F)c2)C1 2055718128 WAELNXQXQFWEKH-KBRIMQKVSA-N 374.391 2.373 0 40 FEAB COCCN[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O 5257980 DDONDVNYJUOIJP-KRWDZBQOSA-N 357.410 2.448 0 40 FEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40153928 ICGSJXGDDHUZRM-LRDDRELGSA-N 371.393 2.154 0 40 FEAB CC(C)c1csc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n1 32810700 ZGPHELTYVVMNFZ-UHFFFAOYSA-N 350.444 2.460 0 40 FEAB O=S(=O)(NC[C@H]1CCCN1)c1ccc(Br)cc1Cl 53254461 DEHIPIHGHCWVOH-SECBINFHSA-N 353.669 2.133 0 40 FEAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 972373 DGMQXQJUKBTDLG-UHFFFAOYSA-N 362.451 2.120 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 23686200 IQCROSBKVUVYSS-KDOFPFPSSA-N 361.467 2.219 0 40 FEAB NC(=O)CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12 1364934 DJGLQEKAZOZURJ-UHFFFAOYSA-N 355.398 2.449 0 40 FEAB CCC(=O)N1[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@@H]2CCCC[C@@H]21 1461608 TYQWPORPLARDRY-PMPSAXMXSA-N 361.417 2.203 0 40 FEAB Cc1cc(N2CCN(C(=O)c3cccnc3N(C)C)CC2)nc(C(C)C)n1 56271798 VJNJSIBEBRVKNO-UHFFFAOYSA-N 368.485 2.332 0 40 FEAB CCOc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCC(=O)OC 4997931 OCWHUFKBOCVPLQ-LJQANCHMSA-N 357.362 2.458 0 40 FEAB COc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8049543 XEQCFPZRBUTFTP-UHFFFAOYSA-N 370.377 2.378 0 40 FEAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103045830 HVXWXKTXPUSNJR-NXKWAJLKSA-N 374.824 2.403 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)N(CCOC)CC(F)(F)F)cc1 58210285 OLFOGRVVDLUBRK-UHFFFAOYSA-N 368.377 2.235 0 40 FEAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 9064023 FTQIXUSMBFCPTP-UHFFFAOYSA-N 358.375 2.283 0 40 FEAB CCO[C@@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 58391987 FBPJHTRMBGAPGO-CABCVRRESA-N 358.442 2.367 0 40 FEAB C[C@H](NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 102239145 IIXZMSBXPZPYQB-IGDXEYSCSA-N 364.445 2.305 0 40 FEAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCSCC1 57613902 YINGIBDBRNUKBV-AWEZNQCLSA-N 353.879 2.111 0 40 FEAB C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118929376 CQRHDJNAPDZBCN-JQQSMNEESA-N 352.515 2.473 0 40 FEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cccc3nccnc23)o1 96116020 OJOSRRVUNKHMGF-ZDUSSCGKSA-N 370.361 2.130 0 40 FEAB biogenic CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 5252539 RANJRYKYOAPKPH-UHFFFAOYSA-N 359.407 2.331 0 40 FEAB COC(=O)c1sc2nc(C)nc(NCC(=O)NCc3ccco3)c2c1C 14188700 PGWHFPIDABPHIF-UHFFFAOYSA-N 374.422 2.416 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCn2cccc2[C@H]1C 14186918 SBDXZXCFFRIORB-MRXNPFEDSA-N 354.454 2.236 0 40 FEAB COc1cccc(C(N)=O)c1OCC(=O)NCCc1ccc(Cl)cc1 14248766 KFTUONLVRUNORZ-UHFFFAOYSA-N 362.813 2.185 0 40 FEAB Cc1cccn2c(=O)cc(CN(C)CC(=O)Nc3cc(F)cc(F)c3)nc12 66844724 LIOVFOLTGYAZSQ-UHFFFAOYSA-N 372.375 2.352 0 40 FEAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6922248 UDFXBWWVRFDIQP-RDDDGLTNSA-N 372.269 2.315 0 40 FEAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 7374739 XHVXFXCNBGFGSZ-UHFFFAOYSA-N 372.805 2.219 0 40 FEAB COc1ccccc1C(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 7806805 LREQXGQBHDOPPV-GFCCVEGCSA-N 367.357 2.106 0 40 FEAB O=C(CSc1nnc(CN2CCCC2)o1)Nc1ccc2c(c1)OCO2 8343570 RHQNOLVIXKBOME-UHFFFAOYSA-N 362.411 2.125 0 40 FEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC)nc2)c1C 8514740 SZVPMAKPOAIWOO-LLVKDONJSA-N 360.366 2.250 0 40 FEAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cc2ccccc2o1 8922185 NTKVAHSVBNSMPU-LBPRGKRZSA-N 363.373 2.313 0 40 FEAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 84102251 UNYCXXXSLPQXQW-ZBFHGGJFSA-N 370.453 2.209 0 40 FEAB COC[C@@](C)(CC(=O)O)NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 95989857 XWMPZZFHGBSHMH-GOSISDBHSA-N 351.399 2.353 0 40 FEAB COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 89644310 ZTAAIXKJUGAHMC-CQSZACIVSA-N 368.455 2.060 0 40 FEAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@H]1CC[C@@H]2C(=O)O 118924256 CJYUFWOVLMFZOX-DGBRJAHKSA-N 366.454 2.270 0 40 FEAB COc1ccc(C(=O)Nc2cnc3n2CCCC3)cc1N1CCOCC1 67714517 IHEYCEYOBYGUFU-UHFFFAOYSA-N 356.426 2.317 0 40 FEAB Cc1cc(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)n2ncnc2n1 35315280 BCUZUDHOPYGLMS-QGZVFWFLSA-N 364.453 2.008 0 40 FEAB Cc1ccn(C[C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36618940 GKOCIPOVWXYYAT-CQSZACIVSA-N 361.409 2.115 0 40 FEAB O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1cccc(Cl)c1 49408771 BEFKYROYDDNZBD-UHFFFAOYSA-N 352.843 2.335 0 40 FEAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 45671251 FRUHJIHTDQFGNT-HZPDHXFCSA-N 360.479 2.491 0 40 FEAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCCC1)CCCC2 224082741 CRFQORIQYVQZRK-UHFFFAOYSA-N 352.500 2.338 0 40 FEAB Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225521711 MCFFFJUDTBWBFF-CABCVRRESA-N 352.438 2.053 0 40 FEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223566652 ZZENTZKJTQIXBD-QZTJIDSGSA-N 365.462 2.232 0 40 FEAB Cc1ccc2cnn(CCC(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)c2c1 226745735 HNHBRIWZMJZCOE-MRXNPFEDSA-N 354.454 2.252 0 40 FEAB O=C(Cc1ccccn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96206506 SXZOYYXPCYRJDA-PXNSSMCTSA-N 353.422 2.248 0 40 FEAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(C)cn1)CC2 96209077 QLGJMGRLBUQLNJ-INIZCTEOSA-N 359.470 2.127 0 40 FEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1 248160577 XLPDNHQZJPXDBL-MRXNPFEDSA-N 358.467 2.040 0 40 FEAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)Cc3cccs3)CC2)ncn1 257270894 MWBVSCIOAQZMHL-CYBMUJFWSA-N 358.467 2.051 0 40 FEAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1cc(C)on1 257311886 ULKTVRJHEMWUPY-OPNNQBFTSA-N 363.458 2.034 0 40 FEAB COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)nc1 607943788 HAPGUPKHWPARKV-UHFFFAOYSA-N 369.402 2.391 0 40 FEAB Cc1sc2ncc(C(=O)NCC3CCN(CC4CC4)CC3)c(=O)n2c1C 620933649 YQVYHFCSSLUCCK-UHFFFAOYSA-N 374.510 2.225 0 40 FEAB Cc1noc([C@H]2CN(C(=O)CCc3c(C)noc3Cl)C[C@@H](C)O2)n1 628856679 COVCUIJRZNQMGE-PRHODGIISA-N 354.794 2.249 0 40 FEAB CCOCC(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CCF 585106775 HWCBAJHCINELLN-IBGZPJMESA-N 358.417 2.126 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC(O)CC2)C3)cc1 585104512 PMSGQFWSYCOZRY-HXUWFJFHSA-N 372.509 2.463 0 40 FEAB Cc1cncc(CN2CCC[C@@]3(C[C@@H](NC(=O)OCC(C)C)CO3)C2)n1 585102414 JTUVPIKGCNSIGP-VQIMIIECSA-N 362.474 2.291 0 40 FEAB CCN1C(=O)[C@@H](OC(=O)c2cnn(C)c2C)C[C@H]1c1ccc(OC)cc1 5007843 XPNVQRZNCXWKPB-IRXDYDNUSA-N 357.410 2.256 0 40 FEAB Cc1ncc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 12235147 ZMQKVXYXAVWRII-UHFFFAOYSA-N 371.890 2.067 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406866 WAYXKNFDLOWTKO-GFCCVEGCSA-N 358.352 2.477 0 40 FEAB CCC[C@H](C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585810 GVPRLUGFBKCKIZ-ZDUSSCGKSA-N 356.469 2.192 0 40 FEAB CC[C@@H](C(=O)NCCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711912 SUNGZDHVUDKFST-AWEZNQCLSA-N 362.879 2.037 0 40 FEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@H]1CCCC[C@H]1C 16363220 QKRRVRGKBVOZDZ-SKDRFNHKSA-N 355.485 2.230 0 40 FEAB C[C@@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 19457892 VKJRNOFFDNXVFU-INIZCTEOSA-N 357.458 2.418 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(F)cc2)CC3)C[C@@H](C)O1 19497588 LOTAVFGYBMYJGD-OKILXGFUSA-N 372.444 2.493 0 40 FEAB CCc1noc(C)c1C(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 19521186 VNKGZGOWXOXGAS-LBPRGKRZSA-N 352.394 2.412 0 40 FEAB CNc1cc(CNC(=O)Cc2ccc(OC)cc2)nc(-c2cccnc2)n1 19592246 PKYOBSKSYJNMBX-UHFFFAOYSA-N 363.421 2.448 0 40 FEAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C3 208038305 IANWHJJFUDJRPD-UHFFFAOYSA-N 368.871 2.500 0 40 FEAB O=c1c2ccc(F)cc2ncn1CC1CCN(CCn2cccn2)CC1 1849482996 FHIXRWVESXJTEB-UHFFFAOYSA-N 355.417 2.144 0 40 FEAB CCc1ncnc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1F 1888909495 IYSMOJFFEPDWMA-UHFFFAOYSA-N 371.464 2.203 0 40 FEAB O=C(OCc1nnnn1-c1ccccc1)[C@H]1Cc2cc(Cl)ccc2O1 25109659 HVXBEAKJUQUELS-OAHLLOKOSA-N 356.769 2.363 0 40 FEAB CNC(=O)[C@@]1(c2cccc(-c3cnc4ccc(Cl)cn34)n2)CCCNC1 2037844595 YZIIDRSRQYFYIK-IBGZPJMESA-N 369.856 2.417 0 40 FEAB Cc1nc(C)c(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)o1 2037984992 UNUXCKRAQFZLBL-HXUWFJFHSA-N 369.421 2.187 0 40 FEAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056224585 WTFAOEHFJWVCOS-HXUWFJFHSA-N 368.485 2.350 0 40 FEAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)CCn4cccn4)C3)C2)n1 2056224586 XGKLAVBSLVRLGX-FQEVSTJZSA-N 368.485 2.281 0 40 FEAB COCCn1c(=S)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O 3043530 WIALYBQFUGAKSW-UHFFFAOYSA-N 370.434 2.030 0 40 FEAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccn1 5242156 JIJNKYHBUUDTES-UHFFFAOYSA-N 360.830 2.438 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)N3c4ccccc4C[C@@H]3C(N)=O)c2O1 10255821 DNUAEBGHCORDQY-MRXNPFEDSA-N 366.417 2.222 0 40 FEAB Cn1cc(CN2CCC(C(=O)Nc3ccccc3)(n3cccn3)CC2)cn1 2055713180 ACAJPKCFVZPZHP-UHFFFAOYSA-N 364.453 2.247 0 40 FEAB CCCOc1ccc(N2C(=O)C[C@H](NCCN3CCC(C)CC3)C2=O)cc1 20595536 XEKYPGFMZHQMJA-IBGZPJMESA-N 373.497 2.429 0 40 FEAB O=c1ccc2cc(S(=O)(=O)N3CCN=C3Cc3ccccc3)ccc2o1 22055904 KIMVEXQUULJCNA-UHFFFAOYSA-N 368.414 2.439 0 40 FEAB CC(C)c1noc(CN2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1775973182 BERRAABGJAHRLH-UHFFFAOYSA-N 365.441 2.367 0 40 FEAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccc(C)o4)cnc3c2c1 23125492 WVNIRHDRZIOAKO-UHFFFAOYSA-N 350.378 2.404 0 40 FEAB O=C([C@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCC(F)(F)CC1 2086886953 IWGYJNNYJVOTAY-OAHLLOKOSA-N 362.380 2.093 0 40 FEAB Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298047660 AATUNPRRDCZKCR-UHFFFAOYSA-N 352.442 2.164 0 40 FEAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ncccc23)cc1 19598334 IQVVVUNOYYWPMS-UHFFFAOYSA-N 355.419 2.454 0 40 FEAB O=C(N1CCCCC1)N1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40070127 SKNUFJYEUPADDZ-UHFFFAOYSA-N 369.469 2.384 0 40 FEAB Cc1ccc([C@@H]2CC(=O)c3cnc(NCCN4CCOCC4)nc3C2)cc1 20293516 YPRCWRWIRBFRQH-KRWDZBQOSA-N 366.465 2.442 0 40 FEAB CC1(C)NC(=O)N(CCSc2nnc(-c3cccnc3)n2C2CC2)C1=O 31446156 RWKWDDPXVUFFKB-UHFFFAOYSA-N 372.454 2.098 0 40 FEAB COc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1 20721492 VYGCKNFLBGPKFB-UHFFFAOYSA-N 351.406 2.347 0 40 FEAB O=C(CCCCCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCCC1 32747688 XQMCJSSZFWBDHJ-UHFFFAOYSA-N 360.426 2.426 0 40 FEAB Cc1ccccc1CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32764986 GDRNFLOMNLLFOU-UHFFFAOYSA-N 367.492 2.360 0 40 FEAB Cc1ccn2c(=O)cc(COC(=O)c3cc(Br)c[nH]3)nc2c1 32747429 GKSBFAIKEQFUAL-UHFFFAOYSA-N 362.183 2.451 0 40 FEAB CCCCN(C(=O)c1ccc(C)nc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 22414151 OCHYVJSIRBAWHT-UHFFFAOYSA-N 373.457 2.069 0 40 FEAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc2ccccc2c1 24096895 ZIMGNVNXICGASN-BEFAXECRSA-N 372.446 2.007 0 40 FEAB O=C(C[C@H](c1ccccc1)C1C(=O)NC(=S)NC1=O)c1cccs1 1085939 RRSHPNNGXLNXGY-LLVKDONJSA-N 358.444 2.252 0 40 FEAB COc1ccc(CCNC(=O)N[C@H](C)c2nnc3ccccn23)cc1OC 25086311 DFDVWLXOFNVVII-CYBMUJFWSA-N 369.425 2.349 0 40 FEAB Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(F)cc2F)nn1 79063316 FOYIFJABOZWHQZ-UHFFFAOYSA-N 365.365 2.358 0 40 FEAB COC(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 25077412 KELRKYHUGNACIF-UHFFFAOYSA-N 350.374 2.287 0 40 FEAB C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 79723432 ZOFNTBOTVRRMFG-KRWDZBQOSA-N 372.513 2.483 0 40 FEAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 12541873 LNUCFYGCHYQTLZ-UHFFFAOYSA-N 370.427 2.067 0 40 FEAB CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 25909606 XMQTWOZROSGBLY-QGZVFWFLSA-N 374.462 2.135 0 40 FEAB COCCNC(=O)[C@H](OC(=O)c1cc2sccc2n1C)c1ccncc1 4923907 XQLLCRPVZDISCF-MRXNPFEDSA-N 373.434 2.296 0 40 FEAB O=C(NCCN1C(=O)CCC1=O)c1cccc2c3c([nH]c12)CCCCC3 72818515 QLZVRZPMDNDILY-UHFFFAOYSA-N 353.422 2.316 0 40 FEAB COc1cccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)c1 10091229 VZJQJSWFDQOYIT-QGZVFWFLSA-N 352.431 2.416 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1cn2ccccc2n1 10355909 ZZMFZXYGYPXUHX-UHFFFAOYSA-N 357.435 2.019 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)(C)c1cccc(Cl)c1 58393440 ZHCRHCTVIFLRDN-UHFFFAOYSA-N 363.845 2.052 0 40 FEAB COC[C@H](C)NC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 58357299 ZNOTZPPVDOUXAF-HNNXBMFYSA-N 367.449 2.453 0 40 FEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 10642120 VVLUFXFCBWSOCG-OAHLLOKOSA-N 373.434 2.001 0 40 FEAB CCOC[C@H](C(=O)OC)N(C)C(=O)c1ccc(Br)cc1F 84801161 DWUPLLMRRHMAQE-GFCCVEGCSA-N 362.195 2.238 0 40 FEAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC(F)(F)CO 97094890 HBYMOZYXRCFTCM-INIZCTEOSA-N 362.376 2.292 0 40 FEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(C2CC2)CC1 29094050 LGYOZKVPYNUGCZ-UHFFFAOYSA-N 350.846 2.397 0 40 FEAB Cn1cccc1C(=O)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 2633866 MIGHUEDXNXSRPX-UHFFFAOYSA-N 372.396 2.476 0 40 FEAB O=C1CN(c2ccc(NC(=O)COc3ccc4c(c3)CCC4)cc2)CCN1 46695833 NKUGGFJEXITVEJ-UHFFFAOYSA-N 365.433 2.129 0 40 FEAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12388960 MBAYKNOSSPDUKY-SNVBAGLBSA-N 354.428 2.175 0 40 FEAB CCc1nc(C)c2c(C)c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)sc2n1 12775874 PGIIWYHGQUTBQF-NSHDSACASA-N 367.496 2.130 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)nc2)c1 12767831 YBKWXLSWUIOOQT-CQSZACIVSA-N 371.437 2.426 0 40 FEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(C(C)=O)c3)ccc21 3430352 ODPSZDOUJONIRO-UHFFFAOYSA-N 351.362 2.165 0 40 FEAB Cc1noc(C)c1CSCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12916660 WDCZIPBMLUNCCK-UHFFFAOYSA-N 372.450 2.420 0 40 FEAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccccc1C(F)(F)F 12977515 NBHXRIOZZCALGB-UHFFFAOYSA-N 369.343 2.485 0 40 FEAB CCOC(=O)N1CCC[C@@H](C(=O)Oc2ccc(C(=O)OC)cc2OC)C1 12984927 ZRPQSVPIDRWUHQ-CYBMUJFWSA-N 365.382 2.256 0 40 FEAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCC2)Oc2ccc(Cl)cc21 38832530 JQHROFRJJHOHKF-HNNXBMFYSA-N 372.874 2.316 0 40 FEAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c2nonc12 13326717 YPCYLPZJEPTQQD-UHFFFAOYSA-N 356.357 2.380 0 40 FEAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1nnc(C2CC2)o1 63873879 IRLUAYJZTXOYDV-UHFFFAOYSA-N 359.426 2.323 0 40 FEAB COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@]31CCN(C(=O)C(F)(F)F)C2 39293892 CDPHRJILIQIKLS-XTQGRXLLSA-N 369.339 2.309 0 40 FEAB COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n[nH]c1=O 14125394 CRHMVHKCYCMYPP-LBPRGKRZSA-N 350.444 2.036 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1C 14189516 NZOXXBHJVXYUKR-GJZGRUSLSA-N 368.499 2.275 0 40 FEAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505448 PUGVSYRYKSZFIV-SECBINFHSA-N 372.295 2.191 0 40 FEAB C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C\c3cccc(O)c3)c1=O)=N2 71785059 IVAZWLLTTJQLBN-JMWOSGIGSA-N 364.426 2.166 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@@H]1C[C@H]1c1cccc(F)c1 67106536 BACMVXQJUJNBDQ-UONOGXRCSA-N 360.414 2.027 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccco1 5935008 OGILMPLSGCGNOC-SJORKVTESA-N 355.438 2.047 0 40 FEAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccccc2O1 7306424 SSPLYEBOXCAVCN-SFHVURJKSA-N 373.430 2.305 0 40 FEAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 7709583 PUWBPJWUKPKDLC-UHFFFAOYSA-N 360.391 2.159 0 40 FEAB Cc1nc2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2s1 8341793 MWIPTLBPIPNKMV-UHFFFAOYSA-N 358.423 2.408 0 40 FEAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1F 8504274 XVQBDNOCOWRDAB-MRVPVSSYSA-N 354.382 2.154 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1 18160218 FIZBFVJEOCZJJN-UHFFFAOYSA-N 359.451 2.186 0 40 FEAB CN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC(C)(CO)CO 84638230 CJPMTOFKNCLIHX-UHFFFAOYSA-N 354.535 2.403 0 40 FEAB COCc1cccc(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 83914720 IQEXXAUCKFQDCA-UHFFFAOYSA-N 374.441 2.209 0 40 FEAB NC(=O)[C@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 8944781 MVFYZNCLXRXUOY-GOSISDBHSA-N 351.450 2.232 0 40 FEAB COc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1F 249074675 ASVWZFZQRWXQOA-ZIAGYGMSSA-N 367.465 2.382 0 40 FEAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 27380292 YVSWWALYSDMHES-UHFFFAOYSA-N 364.409 2.300 0 40 FEAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(Cc2ccoc2)CC3)cn1 306143860 YOSFAMQLVQDZKQ-AWEZNQCLSA-N 366.425 2.081 0 40 FEAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1nc2ccccc2[nH]1 524735328 SMIFYTJKUMKEAU-UHFFFAOYSA-N 367.457 2.249 0 40 FEAB O=C(c1ccccn1)N1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 558416649 ZZBZHTDHQIKCML-UHFFFAOYSA-N 353.451 2.491 0 40 FEAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327394 CHRUSLUFJDYGSM-KGLIPLIRSA-N 364.405 2.231 0 40 FEAB O=C(c1cc(-c2ccco2)on1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 49026566 BZRBDMIMIVNODL-OLZOCXBDSA-N 351.362 2.356 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)Nc1c(C)nc(N(C)C)nc1C 224296002 MNTSTUYADYKNID-UHFFFAOYSA-N 350.444 2.277 0 40 FEAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 225510362 VZERRLMWFJYVBQ-INIZCTEOSA-N 352.500 2.099 0 40 FEAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2)c1 40061703 MSUNIFXKEHXMIU-UHFFFAOYSA-N 363.435 2.447 0 40 FEAB COc1cccc(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c1 225881922 RDFPFFWDSMLDNF-UHFFFAOYSA-N 355.441 2.108 0 40 FEAB Cc1cc(CN2CCOC[C@@H]2c2nccc(Nc3ccccn3)n2)no1 96218030 MQAZYRYHVIYVGP-OAHLLOKOSA-N 352.398 2.485 0 40 FEAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 96227536 OCTFQMFMTBILLS-RXVVDRJESA-N 367.424 2.318 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 248050274 WZRLHSRCRWJNFD-INIZCTEOSA-N 357.410 2.134 0 40 FEAB CNc1cc(C)nc([C@@H]2COCCN2Cc2nc3ccccc3n2C)n1 257260538 LDHVVRHILQGPLY-INIZCTEOSA-N 352.442 2.287 0 40 FEAB Cc1cc(C)nc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257210806 BWGZDPDFFINBHM-CQSZACIVSA-N 359.430 2.133 0 40 FEAB O=C(NCCn1ccc(-c2cnccn2)n1)c1ccc(C(F)(F)F)nc1 253472936 QRNOUAAFKDZMEE-UHFFFAOYSA-N 362.315 2.184 0 40 FEAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)n1 257228032 FSAGMLBIHQFRTF-BFYDXBDKSA-N 374.485 2.056 0 40 FEAB O=C(NC1CCN(C(=O)c2cccc3ccccc23)CC1)N1CCOCC1 633486820 YXESWOLETWLHEV-UHFFFAOYSA-N 367.449 2.486 0 40 FEAB O=C(Nc1ccc2nc(C3CCNCC3)[nH]c2c1)[C@@H]1C[C@H]1c1cnc[nH]1 1122224745 PKXCDFPHKKONMP-ZIAGYGMSSA-N 350.426 2.495 0 40 FEAB COCC(C)(C)C(=O)N1CCCCC[C@@H](Nc2cc(C)nc3ncnn23)C1 1615610131 CDHWKJGCSZQSPP-OAHLLOKOSA-N 374.489 2.288 0 40 FEAB Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)C2)cn1 664219583 RVMRCDUTRIATSU-KLIQENQMSA-N 369.444 2.166 0 40 FEAB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2cc(NC3CC3)ncn2)CC1 665699297 KECFZJVUIKWOIG-LBPRGKRZSA-N 355.446 2.195 0 40 FEAB OC[C@@H](O)CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67934454 MIQDOQATOUPYLT-AWEZNQCLSA-N 372.446 2.217 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@@]12CCCN(c1cnccn1)CC2 585099959 BCOSLDSVKXPSMO-QGZVFWFLSA-N 358.471 2.302 0 40 FEAB Cc1cc(C)n(CC(=O)N2CCC[C@](O)(COc3ccccc3C)C2)n1 585277471 VGMOVEINYVWEMP-HXUWFJFHSA-N 357.454 2.241 0 40 FEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 66479488 YVHKWKLGRHZHMP-GFCCVEGCSA-N 372.469 2.463 0 40 FEAB CCCN(C(=O)c1cnccn1)c1nc2c(s1)CCc1c-2cnn1C 12146058 AORBWWDRHFKVRF-UHFFFAOYSA-N 354.439 2.489 0 40 FEAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4CCCC4)CC3)ncc2C1 19018790 GCBSQUDGMRTZQO-UHFFFAOYSA-N 356.470 2.277 0 40 FEAB Cc1nc(C2CCN(C(=O)CCCn3cncn3)CC2)c2sccn12 19240808 PDWZXZZNNRGYPM-UHFFFAOYSA-N 358.471 2.482 0 40 FEAB C[C@H]1CN(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C[C@@H](C)O1 19497481 OVTHWPNCUIDDDC-IYBDPMFKSA-N 359.470 2.360 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)C3)C1 19711104 WVRBRJUNMMODHY-QGZVFWFLSA-N 373.501 2.317 0 40 FEAB COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 19901406 LGTHYUQIIVQGDT-SFHVURJKSA-N 372.465 2.266 0 40 FEAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@@H]12 2510833 JMIAZDVHNCCPDM-RQAIZACNSA-N 368.433 2.063 0 40 FEAB biogenic,in-vitro Cc1cn2nc(N3CCN(c4ncnc(C(C)C)c4F)CC3)ccc2n1 1888888086 XNIAJNNBOHGKAE-UHFFFAOYSA-N 355.421 2.417 0 40 FEAB COC(=O)Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 24843231 ATQMDCNLBCTZJF-UHFFFAOYSA-N 354.362 2.339 0 40 FEAB O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565556655 OZBTTWZMHRRASK-OKZBNKHCSA-N 353.422 2.202 0 40 FEAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCCCC1 5168518 JKINWLNVNCAKFS-UHFFFAOYSA-N 354.439 2.291 0 40 FEAB O=C(NCCC1=CCCCC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708563 YILPGCXZRGDQNZ-UHFFFAOYSA-N 367.449 2.467 0 40 FEAB COc1nn(C)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 38678008 RKVZOXPBHGVHFN-UHFFFAOYSA-N 366.377 2.477 0 40 FEAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3nccnc3OC)C2)cc1 225389011 FUDOMTMFULXPIL-CDVVCGDMSA-N 355.394 2.187 0 40 FEAB Cc1ccc2c(c1)CN(C(=O)C1CCNCC1)CC1(CCN(C)CC1)O2 12365628 TXQNKNUIFBHIRB-UHFFFAOYSA-N 357.498 2.180 0 40 FEAB Cc1ccc(C)c(N2N=C(C(=O)NCCCn3cccn3)CCC2=O)c1 30171436 QCWIUHVFSXEFHM-UHFFFAOYSA-N 353.426 2.189 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 40091340 ZWTVOKBXRWDHIR-FUHWJXTLSA-N 351.516 2.217 0 40 FEAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCCN(c2ncccn2)CC1 20739554 WCIGVTLBUGLGJE-KRWDZBQOSA-N 369.400 2.435 0 40 FEAB CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C 32911708 KUXQMXKGOQJEGK-CZUORRHYSA-N 359.430 2.215 0 40 FEAB CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(C)c3ccccc3c2=O)cc1 42185166 GLLYRMCNFLSSJH-MRXNPFEDSA-N 367.405 2.103 0 40 FEAB COc1ccccc1NC(=O)c1c(I)cnn1C 778055 DHYOFZQNJALODE-UHFFFAOYSA-N 357.151 2.286 0 40 FEAB Cc1noc([C@H]2CCCN(C(=O)c3cccc4c3O[C@H](C)C(=O)N4)C2)n1 104291066 ZTLDHNKCVYKSOO-PWSUYJOCSA-N 356.382 2.117 0 40 FEAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc3c(s2)CCCC3)C1=O 23030333 SOGQEAFZKMZGGB-UHFFFAOYSA-N 350.444 2.071 0 40 FEAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)c1 23009271 KCPWMLVZMRTLCV-UHFFFAOYSA-N 358.350 2.234 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccco2)cc1OC 24838005 TZMQHMNWGBXDQD-CQSZACIVSA-N 358.394 2.390 0 40 FEAB COC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 77924733 YTRGVNUMRBOZMI-YPMHNXCESA-N 356.369 2.044 0 40 FEAB Cc1ccccc1NC(=O)c1sc2ncn(CC(=O)O)c(=O)c2c1C 1784741 NTIOOWFDCAHTRZ-UHFFFAOYSA-N 357.391 2.412 0 40 FEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1ccc(Br)cc1 4299315 NVZDPPMWZPFZJB-WDEREUQCSA-N 360.204 2.460 0 40 FEAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 35286962 VWFMHNGQQFELOQ-SNVBAGLBSA-N 372.238 2.079 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)s1 6817985 ROADQKSVYADXFA-VIFPVBQESA-N 352.441 2.027 0 40 FEAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 6957760 UEOHMEABHPRVNF-UHFFFAOYSA-N 370.515 2.096 0 40 FEAB O=C1OCC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@H]12 108138731 CDTBRXKVWYUOED-PELKAZGASA-N 350.223 2.320 0 40 FEAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)c1cc[nH]n1)C3 100215284 YBIYKERDSLNMQT-UHFFFAOYSA-N 360.377 2.289 0 40 FEAB CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 26993512 KPORPXZBBCHVRJ-INIZCTEOSA-N 366.417 2.469 0 40 FEAB O=C(CN1CCN(c2ccccc2O)CC1)NCCCc1ccccc1 57833311 FKQODOLEWJJKSZ-UHFFFAOYSA-N 353.466 2.263 0 40 FEAB O=C(NCCc1nnc(S)n1C1CC1)c1cc2c(s1)CCOC2 109059223 FKGHJQRJNBWBTD-UHFFFAOYSA-N 350.469 2.008 0 40 FEAB COc1cc(N2CCC[C@]3(C[C@@H](CNc4nccs4)CO3)C2)ncn1 107790714 FDHOONYRFZNJHH-GUYCJALGSA-N 361.471 2.429 0 40 FEAB CN(C)S(=O)(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 22119268 GEGCNQZBJPEKRE-UHFFFAOYSA-N 360.357 2.166 0 40 FEAB C[C@@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1 58245175 HBFDUHCPKPCGFY-CVEARBPZSA-N 358.486 2.310 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(F)cc3)C2=O)o1 58223795 OJSMCJHALNPTTF-CWTRNNRKSA-N 373.384 2.372 0 40 FEAB C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C[C@@H](C)O1 12581989 WUOHXYDFERFYDV-DVOMOZLQSA-N 364.471 2.054 0 40 FEAB COc1ccc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)cc1 20637303 SAKFZLXFWKERPM-UHFFFAOYSA-N 361.409 2.337 0 40 FEAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C[C@H]2CCCO2)cc1 2210479 PQSXCJSOEQPHAO-OAHLLOKOSA-N 353.422 2.193 0 40 FEAB COC(=O)[C@](NC(=O)c1ccccc1)(Nc1nccs1)C(F)(F)F 2305271 PMFFOAKEJDQVMG-ZDUSSCGKSA-N 359.329 2.417 0 40 FEAB COc1cccc(OCCNC(=O)Nc2cccc(-n3nnnc3C)c2)c1 45687237 VAWIWQIOJCWVMH-UHFFFAOYSA-N 368.397 2.180 0 40 FEAB Cc1nn(CC(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1Br 2781599 HIQCUMYBZGRECD-CYBMUJFWSA-N 368.279 2.382 0 40 FEAB COc1ccc(Cl)cc1CN1CCC(C(=O)N2CCOCC2)CC1 61778593 QXDPTXABTYTUKY-UHFFFAOYSA-N 352.862 2.419 0 40 FEAB CCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 3348700 QMEVJYUKOMOQSH-UHFFFAOYSA-N 359.401 2.398 0 40 FEAB CN(C)/C=C(/C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1F 101954120 IIVOJOICAPSRJI-UVTDQMKNSA-N 360.838 2.278 0 40 FEAB COc1cc(CNC(=O)Cn2c(C)csc2=O)ccc1OC(F)F 10441395 ADPCWOGKRIXSLA-UHFFFAOYSA-N 358.366 2.145 0 40 FEAB O=S(=O)(/N=C(\O)c1cnn2cccnc12)c1ccc(C(F)(F)F)cc1 48614018 HCAHNHGMNSLPHM-UHFFFAOYSA-N 370.312 2.442 0 40 FEAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1 38292192 JMOZPDOWIIZISP-UHFFFAOYSA-N 352.406 2.471 0 40 FEAB O=C(NC1CC1)c1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 13013043 UQUWYZDSFLCEBA-UHFFFAOYSA-N 355.438 2.166 0 40 FEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c1C 9219311 DXSRZLTZUHISDE-VIFPVBQESA-N 364.320 2.032 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCCN(c2nccs2)CC1 96180046 SOLJQUSULSSZTJ-SAPNQHFASA-N 370.478 2.359 0 40 FEAB CCCCOc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)s1 9304259 HOHJLCQOACJLBT-UHFFFAOYSA-N 355.441 2.373 0 40 FEAB CC(=O)N1CCC(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 39979660 ICLQDNFDZYLZOE-UHFFFAOYSA-N 368.359 2.182 0 40 FEAB Cc1cc(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)c(C)n1C 4486708 RGZWFTLJUQKVLU-UHFFFAOYSA-N 364.423 2.053 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(F)c1 6587761 LUXVYCDPOABTLU-FQEVSTJZSA-N 367.380 2.466 0 40 FEAB CN(c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1)S(C)(=O)=O 4691070 KWVCUSSNXARADB-VQHVLOKHSA-N 374.418 2.463 0 40 FEAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(N)s1 8066684 DYGIJFQNHJENBD-UHFFFAOYSA-N 358.876 2.403 0 40 FEAB CCOc1ccc(-c2cn(C3CN(C(=O)c4cn(C)nc4C)C3)nn2)cc1 95998039 RKEQWBMYTRFSJX-UHFFFAOYSA-N 366.425 2.083 0 40 FEAB O=C(CNC(=O)c1occc1COc1ccccc1)NCc1ccco1 21410238 NFNHWUZAEMRXAG-UHFFFAOYSA-N 354.362 2.498 0 40 FEAB COc1ccccc1NC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 9059780 ZCTZJZBKCIDAFW-UHFFFAOYSA-N 352.398 2.217 0 40 FEAB COc1ccc([C@@H]2CCCN2CC(=O)NC(=O)NCc2ccco2)cc1 25415318 WFNUDBKJOZDKKQ-KRWDZBQOSA-N 357.410 2.451 0 40 FEAB O=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1nc2ncccn2n1 36618779 GVMGTYNYYQHKNT-UHFFFAOYSA-N 353.773 2.275 0 40 FEAB Cc1noc(C)c1-c1nc(N2CC[C@@H](O)[C@H](C)C2)ncc1-c1cnccn1 72337517 VXRLHJMDNYOEKT-BDJLRTHQSA-N 366.425 2.413 0 40 FEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)O)cc1 218593696 KTHITLFOFMQOCQ-VYDXJSESSA-N 365.838 2.370 0 40 FEAB COc1ccc2cnn(CC(=O)Nc3nc(C)c(C)s3)c(=O)c2c1OC 80336881 OYOASHXNDCIUIR-UHFFFAOYSA-N 374.422 2.126 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2SC)s1 223165588 NTDGKBJHPTXSOK-UHFFFAOYSA-N 358.470 2.409 0 40 FEAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1ccc3cn[nH]c3c1)CS2 90609885 NYELAAXRBCTEPK-GFCCVEGCSA-N 369.450 2.351 0 40 FEAB COc1cc(N2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)ncn1 96216544 NALUTPGQVIPWTN-IBGZPJMESA-N 353.426 2.013 0 40 FEAB COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)c(OC)n1 98091508 IKYAMTBOXQERHO-RYUDHWBXSA-N 366.414 2.222 0 40 FEAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 514289251 GRPNXYNYTNSFBT-BEFAXECRSA-N 370.380 2.272 0 40 FEAB biogenic,in-vitro CC(C)n1cc([C@@]2(O)CCCN(C(=O)COC3CCCCC3)C2)nn1 583619006 TUZDCAPDRXKRKD-GOSISDBHSA-N 350.463 2.018 0 40 FEAB CCc1cnc(N2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1 96050708 TXAPOFLTJJBTLR-GOSISDBHSA-N 357.483 2.433 0 40 FEAB Cc1cc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3ccncc3)C2)c(C)o1 96075086 UVTZOGLUZBSQGT-PXNSSMCTSA-N 353.422 2.460 0 40 FEAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3cccc(N(C)C)c3)CC2)C1 96220637 LPVWBXJNFMRQTG-QGZVFWFLSA-N 373.497 2.289 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)C1CCCC1)C2 96238010 DAULRVHOTQZUGO-FQEVSTJZSA-N 359.445 2.265 0 40 FEAB Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CCO3)C2)n1 248088063 KUPZOLQTFHPTRZ-AWEZNQCLSA-N 357.385 2.377 0 40 FEAB C[C@H]1[C@H](CCN(C)C)COCCN1C(=O)c1ccc2c(c1)OCCCO2 248123106 NTOLIEGROCOHAA-DOTOQJQBSA-N 362.470 2.277 0 40 FEAB Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cn1 257206724 BERKYUPOZJTVMB-ZWOKBUDYSA-N 352.438 2.435 0 40 FEAB CN1CCN(C(=O)c2ccnnc2)C[C@@H](Cc2cncc3ccccc23)C1 257315373 VBBLOQLFVZMQDA-INIZCTEOSA-N 361.449 2.271 0 40 FEAB CN(C)c1cccc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257206561 BDZZTTQZBWBLKU-LJQANCHMSA-N 357.454 2.092 0 40 FEAB Cc1noc(C)c1C(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 251921275 ASPKLDNTROMLCI-INIZCTEOSA-N 357.410 2.277 0 40 FEAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 257261842 LIZLLRSVRYIULV-KRWDZBQOSA-N 353.470 2.352 0 40 FEAB O=C1CC[C@H](C(=O)Nc2nn(CC(F)(F)F)cc2Cl)n2cccc21 648432282 WDBZAQVYTCJREW-SNVBAGLBSA-N 360.723 3.057 0 40 FEAB Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(Nc2cccnn2)CC1 667604810 RTUAJPJVEDKEQO-HNAYVOBHSA-N 356.474 2.254 0 40 FEAB Cc1cocc1C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 1775997931 VLVQDSRODAUQAA-LJQANCHMSA-N 358.394 2.328 0 40 FEAB Cn1nccc1[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)C[C@H]1N 1615591531 ODQXWLJROAZASE-ZIAGYGMSSA-N 369.252 2.059 0 40 FEAB O=C(O)c1cccc2c1CCN(C(=O)CN1C(=O)CCc3ccccc31)C2 621579381 GXUWLQLENXZFQP-UHFFFAOYSA-N 364.401 2.249 0 40 FEAB CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COc1ccccc1 585274651 ZESHCWYUYRXNTK-OAQYLSRUSA-N 370.493 2.391 0 40 FEAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1cccc(F)c1)CC2 585104737 LQRFFBRGUUAWPD-CQSZACIVSA-N 357.447 2.422 0 40 FEAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4conc4C)C3)C2=O)n1 585100978 PNLNIAFNRJKBRU-FQEVSTJZSA-N 368.437 2.341 0 40 FEAB O=C(/C=C/c1cccnc1)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 585292329 HGBRRNMYOIQXEQ-FYCOFBDGSA-N 373.420 2.782 0 40 FEAB O=C(N1CCOCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 53675849 DILSXHRFBAUEEB-UHFFFAOYSA-N 357.859 2.285 0 40 FEAB COC(=O)c1ccc(F)cc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 55860403 AODJUUQREWXWJU-UHFFFAOYSA-N 373.384 2.365 0 40 FEAB CCCCc1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)n[nH]1 79111595 LDLKTTKDMFCAME-UHFFFAOYSA-N 353.400 2.260 0 40 FEAB NS(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)s1 11201965 VRSQVNPOOMTWQC-UHFFFAOYSA-N 354.497 2.228 0 40 FEAB C[C@H](C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)N1CCCC1=O 12086973 MLYRQQWXHALFOW-GDBMZVCRSA-N 358.438 2.187 0 40 FEAB COc1ccc(-c2noc(C(=O)N3CCCC[C@@H]3CCO)n2)cc1OC 12322240 HGDYESRICPNAMV-CYBMUJFWSA-N 361.398 2.131 0 40 FEAB Fc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1 13010674 HYHNPONPHLAIAR-UHFFFAOYSA-N 369.404 2.047 0 40 FEAB Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccncc3)n(N)c2=S)c1 16778127 SAAYVOZNOWMYGP-UHFFFAOYSA-N 354.439 2.445 0 40 FEAB O=C(N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cccc(F)c1F 19292669 CRSGKVFBLIBKKF-CYBMUJFWSA-N 374.391 2.226 0 40 FEAB CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2Cc2ccco2)CC1 19527995 IGADOZVKFOWJGL-LJQANCHMSA-N 366.469 2.350 0 40 FEAB COc1cccc(C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 19590641 SRWGJYPQXPLHTF-HNNXBMFYSA-N 352.438 2.103 0 40 FEAB COCCN1CCC(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 252491015 LIISEXRBLUQDLR-UHFFFAOYSA-N 372.435 2.333 0 40 FEAB O=C(COc1ncnc2sc3c(c12)CCC3)NC(=O)NCc1ccco1 3366469 AAFAFAUQDGZGIF-UHFFFAOYSA-N 372.406 2.178 0 40 FEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(F)c(F)c1F 5173353 CAGRREIGQVUSOF-UHFFFAOYSA-N 352.268 2.201 0 40 FEAB O=C1CN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2ccccc2N1 5241780 JMNHHOQFVBYVKL-UHFFFAOYSA-N 374.356 2.128 0 40 FEAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2cc(C(F)(F)F)ncn2)CN(C)C1=O 1888844345 VPBBIMICKDYOCG-HUOYYHSISA-N 370.375 2.243 0 40 FEAB Cc1cc(N2CCN(c3nc(C4CC4)nc(C)c3F)CC2)n2nccc2n1 1888899271 CTZLSGOERPBCEX-UHFFFAOYSA-N 367.432 2.479 0 40 FEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@H]2C1 1888901073 WQSXFPCEFKUQEH-HOTGVXAUSA-N 373.478 2.305 0 40 FEAB CCN=c1ccnc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)[nH]1 1888901338 UHTIRTAZZNEBAH-UHFFFAOYSA-N 352.364 2.071 0 40 FEAB O=S(=O)(C1CC1)N1CCCN(c2nc3ccc(Cl)cc3o2)CC1 1889180477 LJPYCJMBNNYMCB-UHFFFAOYSA-N 355.847 2.486 0 40 FEAB Cc1ocnc1C(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846409 QRERSEWKTQQGDG-FQEVSTJZSA-N 369.421 2.411 0 40 FEAB COc1cnccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554460 RTWNQEHKMGRGLW-UHFFFAOYSA-N 367.453 2.403 0 40 FEAB CSc1cccc(NC(=O)Cn2nc(C)cc2C(=O)N2CCOCC2)c1 11931140 NHNHHPAEYLHVKG-UHFFFAOYSA-N 374.466 2.025 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(OC)cc2)c1C 17287759 VOCWHTXDMQBAES-UHFFFAOYSA-N 365.455 2.228 0 40 FEAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(C)s2)CC1 2055708256 YBMUTQKQRXQKAH-UHFFFAOYSA-N 362.499 2.007 0 40 FEAB C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cccnc4)CCO3)C2)CC=CCC1 1784753188 XUDYWNIRTLORLP-RTWAWAEBSA-N 369.465 2.272 0 40 FEAB Cn1cc(-c2nccnc2CNC(=O)CSCc2ccccc2)cn1 575618585 CPMXREVYLKLQAB-UHFFFAOYSA-N 353.451 2.427 0 40 FEAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C 23549037 DCDRLEKDKNTYAM-QGZVFWFLSA-N 351.878 2.145 0 40 FEAB COc1cc(Br)c(OC)c(C(=O)N(C)Cc2cnn(C)c2)c1 24479869 VWGRHOGHPVYRDL-UHFFFAOYSA-N 368.231 2.472 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 4291894 BKWGAKRCFXFKDM-LMHVJCSRSA-N 364.323 2.451 0 40 FEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)C1=O 25982460 UWIBVHLVPFHWIV-INIZCTEOSA-N 369.343 2.042 0 40 FEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)Cc3cccs3)nc2c1 7133116 JYEVECXJMAGTHA-UHFFFAOYSA-N 358.375 2.057 0 40 FEAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCc2ccco2)CC1 7804459 UAWXEGLZSFJUDU-UHFFFAOYSA-N 366.414 2.086 0 40 FEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1cnc2ccccc21 58193620 NOXSMOUFDRSCPH-UHFFFAOYSA-N 373.416 2.076 0 40 FEAB Cc1nnsc1C(=O)N1CCC(c2cc3nc(C)c(C)c(O)n3n2)CC1 100137310 XEWKEFZRBNEHME-UHFFFAOYSA-N 372.454 2.231 0 40 FEAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCC(C(N)=O)CC1 57669963 RGZFSAORPGMRNU-INIZCTEOSA-N 374.464 2.244 0 40 FEAB CN(Cc1ccc(C(F)(F)F)cc1)c1ncc(S(N)(=O)=O)s1 58426689 XFZYLWPJSBXLBS-UHFFFAOYSA-N 351.375 2.446 0 40 FEAB COC(=O)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 58557668 JFUXKKPILSCYOY-UHFFFAOYSA-N 353.378 2.125 0 40 FEAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cnccn2)c2ccccn2)CC1 100750313 CZNZQNKFSWOODV-JTDSTZFVSA-N 367.453 2.285 0 40 FEAB CCN(CC)CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 36357251 WNEPIFQKZDQBFQ-UHFFFAOYSA-N 371.528 2.131 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 12612834 DHANKBDNDJZMLV-KRWDZBQOSA-N 357.841 2.499 0 40 FEAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 12661223 AUDUOJRQQZETPZ-WWNBULGVSA-N 362.422 2.196 0 40 FEAB biogenic Cc1ccc(C(=O)C2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1 56829258 OMXZXTHNZOKPKD-UHFFFAOYSA-N 357.454 2.222 0 40 FEAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(-n2cncn2)nc1 46714175 KOWSMYNGJCFDGD-CQSZACIVSA-N 363.421 2.235 0 40 FEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1 47031412 JGTCIHVSHGVVNN-HNNXBMFYSA-N 366.439 2.038 0 40 FEAB CCOC(=O)c1c(NC(=O)N(C)CCO)sc2c1CC(C)(C)OC2 28286694 MVRSSYDOZIYHDR-UHFFFAOYSA-N 356.444 2.232 0 40 FEAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2nccs2)CC1 12799987 OFUMXEFHZWWGTF-CQSZACIVSA-N 362.474 2.451 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2cccc(OC)c2)CC1 9902821 KOCDPNCMNJFGST-GOSISDBHSA-N 360.454 2.244 0 40 FEAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccc(F)cc1 12986430 GBDAFHGTCKUKCA-UHFFFAOYSA-N 373.403 2.290 0 40 FEAB O=C1CC(C(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 89853266 CEEYHHYDUAMIFN-UHFFFAOYSA-N 353.378 2.211 0 40 FEAB CCc1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1N 20842846 HZSCVQYHTVQIBX-UHFFFAOYSA-N 370.276 2.356 0 40 FEAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1C(N)=O 4445168 VLJOEDMUKKDTMF-UHFFFAOYSA-N 362.769 2.243 0 40 FEAB C[C@@H](O)c1ccc(CNC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)cc1 65592736 JGMZEGJUEAOEKP-SNVBAGLBSA-N 355.419 2.195 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCCO2)OCc1cc(=O)n2ccsc2n1 5306790 MZSKAVJUFMVBST-DUXPYHPUSA-N 370.386 2.284 0 40 FEAB CCCn1c(SCC(=O)Nc2ccccc2Br)n[nH]c1=O 6888268 VBYFULIFZHJMKY-UHFFFAOYSA-N 371.260 2.475 0 40 FEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 408607770 QILPSHCRUYSVBN-LLVKDONJSA-N 352.387 2.140 0 40 FEAB COc1ccc(-n2c(O)nc3nc(NCc4ccco4)ncc3c2=O)cc1 67263534 IEJMZMDKKPKLDI-UHFFFAOYSA-N 365.349 2.095 0 40 FEAB CCOc1ccccc1OCC(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 15617049 OUJVGTXBQYGAHK-SFHVURJKSA-N 370.405 2.004 0 40 FEAB O=C1[C@@H](Nc2ccccc2CN2CCOCC2)CCN1CC(F)(F)F 81154318 DGLSOHSXNLUFRK-HNNXBMFYSA-N 357.376 2.094 0 40 FEAB COC(=O)c1ccc(Cn2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)o1 17075197 XNCBECCDWAQJRT-UHFFFAOYSA-N 366.381 2.112 0 40 FEAB CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)ccc1C 95944198 UJTFQXIRWMVASX-MJBXVCDLSA-N 353.488 2.103 0 40 FEAB C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1S(C)(=O)=O 8718984 KCAVJWSBJRUYNN-NSHDSACASA-N 374.418 2.378 0 40 FEAB COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1cc(C)cc(C)c1 409387705 DUXYAWGNQPOTPM-UHFFFAOYSA-N 362.451 2.301 0 40 FEAB Cn1cc(N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cn1 74396130 DSRLKIKPLSRFNX-UHFFFAOYSA-N 365.437 2.357 0 40 FEAB O=C(Nc1cccc(-c2nccs2)c1)N1C[C@H](N2CCCC2)[C@H](O)C1 72313612 CXYRAJXLGGKQHW-JKSUJKDBSA-N 358.467 2.483 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2ccc(F)cc21 72401552 DRQMFKKNHGJSSW-UHFFFAOYSA-N 364.380 2.307 0 40 FEAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCO[C@@H](C)C2)nn1-c1ccccc1F 95457826 JSIZRIFUMOUNFG-UONOGXRCSA-N 359.401 2.225 0 40 FEAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 408594080 RYZZIHTYNYZDQV-SZUMLMDFSA-N 352.774 2.495 0 40 FEAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(C(=O)C4CC4)C[C@H]32)cs1 306135937 PEZATZQJKZPGRE-JKSUJKDBSA-N 356.451 2.071 0 40 FEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1ccccc1Br 409379907 BLHOBQKCVRVHDC-YXMPFFBPSA-N 352.184 2.432 0 40 FEAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccc(C)n1 306124642 BVSCTEUOYJMYNG-INIZCTEOSA-N 368.499 2.127 0 40 FEAB CC[C@H](C)C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980665 WBFQITNXZKBFHC-RDJZCZTQSA-N 360.454 2.337 0 40 FEAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 72359914 FPZKLVVXXAWXLA-LBPRGKRZSA-N 353.473 2.390 0 40 FEAB Cc1cccc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219443569 OECPHYCPBZWKEZ-UHFFFAOYSA-N 372.446 2.236 0 40 FEAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1N1CCN(C(C)=O)CC1 72336887 WKECSICZVBSDRF-UHFFFAOYSA-N 371.485 2.163 0 40 FEAB Cc1cc(S(=O)(=O)NCCCOC(C)C)ccc1N1CCCC1=O 44842143 XRNJZWJAWUNHOO-UHFFFAOYSA-N 354.472 2.215 0 40 FEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1 49131240 RECNUEHOMUTYGU-FZMZJTMJSA-N 358.360 2.406 0 40 FEAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)c(C)c1 225927382 KMAYLAYOYWPJHH-UHFFFAOYSA-N 358.438 2.361 0 40 FEAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@H]3CCCO3)n2)cc1C 41255031 LPXNTGDZRFPORK-QGZVFWFLSA-N 355.438 2.212 0 40 FEAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1ccc(F)cc1 45970571 UHGLASXGYIHNFJ-UHFFFAOYSA-N 373.413 2.231 0 40 FEAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)CCc2ccn(C)n2)C1 585085654 LOJRLWAVVAOGCR-SFHVURJKSA-N 355.486 2.118 0 40 FEAB CCN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2 96199996 CYLYJVLAFQVQBO-KRWDZBQOSA-N 353.470 2.186 0 40 FEAB COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)c1ccco1 96068245 BOHSTVGHSNZXDL-INIZCTEOSA-N 359.426 2.289 0 40 FEAB Cc1cccc(CN2CC3(CCN(Cc4ccco4)CC3)OCC2=O)n1 96062173 SMHKHLLPZITCOW-UHFFFAOYSA-N 355.438 2.377 0 40 FEAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cc2ccc(C)cc2[nH]c1=O 96116301 RRFSAASDUUNIKO-ZDUSSCGKSA-N 369.373 2.499 0 40 FEAB biogenic CC(=O)N1CC2(CCN(Cc3ccsc3)CC2)[C@]2(CCN(C)C2=O)C1 97952875 GELWLSTVCHPDJW-LJQANCHMSA-N 361.511 2.041 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccsc1)C2 96230431 XLKRKCMATZOEOA-IBGZPJMESA-N 355.463 2.311 0 40 FEAB Cc1nc(CN2CCC[C@]3(COCCN(c4cnccn4)C3)C2)cs1 96229149 YMKRORFXJNJWDK-SFHVURJKSA-N 359.499 2.361 0 40 FEAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccsc1 247468282 DKMDJLVMWUXUCO-INIZCTEOSA-N 360.483 2.300 0 40 FEAB OC[C@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382180 JGLRXEWNKTVFPW-HNBVOPMISA-N 371.456 2.183 0 40 FEAB biogenic,in-vitro Cc1cc(C(=O)N2CC3(C[C@H](Oc4nccc(C)n4)CCO3)C2)cc(C)n1 253480487 XCVKLVHIGOJSJY-QGZVFWFLSA-N 368.437 2.249 0 40 FEAB O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)O1 1775958279 OLKLFOXXSVOZKT-JKSUJKDBSA-N 353.365 2.378 0 40 FEAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1309093146 FBMMLGYTLZGDDD-HNNXBMFYSA-N 355.419 2.197 0 40 FEAB COc1cc(N2CCN(C(=O)c3nc[nH]c4nccc3-4)CC2)ccc1F 614544131 ANZYFHBBUUQGMQ-UHFFFAOYSA-N 355.373 2.020 0 40 FEAB CC(C)c1cc(C(=O)N2CCn3nnc(CO)c3C2)c2ccccc2n1 615096009 IRCAAFQAYQQLRW-UHFFFAOYSA-N 351.410 2.098 0 40 FEAB O=C(O)[C@@H]1CC[C@H](C(=O)NCC2CC(F)(F)C2)N1Cc1ccccc1 630648017 CVMXBFGUEOWMOY-CABCVRRESA-N 352.381 2.266 0 40 FEAB Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)Cn3cncn3)CC2)c1 67954526 TVMVKCCUBSCFHB-UHFFFAOYSA-N 350.426 2.383 0 40 FEAB O=C1CC[C@]2(CCCN(c3cccnn3)C2)CN1CCc1ccccn1 77457840 DOAVEGANSBMJOP-FQEVSTJZSA-N 351.454 2.323 0 40 FEAB CC1(C)CCc2nc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)ncc2C1 298826463 ZHAZBUQCBMATEN-GFCCVEGCSA-N 351.472 2.145 0 40 FEAB CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)[C@H]3CCCO3)CC4)c2C1 585110336 HEHLXTIHHXGSAQ-LJQANCHMSA-N 366.465 2.128 0 40 FEAB Cc1nc(C)n(CCC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)n1 12086990 LUPFGTNTFXHJMZ-KRWDZBQOSA-N 370.453 2.474 0 40 FEAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)cc21 12428021 CZFAGHBCUUFTJP-HNNXBMFYSA-N 358.419 2.487 0 40 FEAB Cc1cc(NC(=O)CSCC(=O)N(C)Cc2ccc(F)cc2)no1 12884993 SMMGQRUTCWIHHF-UHFFFAOYSA-N 351.403 2.452 0 40 FEAB Cc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3C(=O)N(C)C)s2)cc1 12908220 FEMYGDFLQHEMPV-AWEZNQCLSA-N 373.482 2.151 0 40 FEAB O=C1CC[C@H](c2nc(C3CCN(C(=O)Cc4cccs4)CC3)no2)N1 13266451 ZLEAREGNVIKXCI-CYBMUJFWSA-N 360.439 2.031 0 40 FEAB O=C(O)C1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 18063859 DNMCXPNFPZRJTB-ZDUSSCGKSA-N 371.220 2.422 0 40 FEAB CC(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)c1cccs1)C2 19017173 NTQXRVGJCZKFLA-AWEZNQCLSA-N 372.450 2.126 0 40 FEAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3CCCC3)nc2C1 19018919 UICBFSVFFCKNBW-QGZVFWFLSA-N 372.469 2.331 0 40 FEAB CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 18543951 QNJIHKFNRINZON-QWHCGFSZSA-N 357.497 2.211 0 40 FEAB O=C(COc1ccc2c(c1)CCC2)OCc1cc(=O)n2ccsc2n1 4439077 ARKRJIHVQYAPCS-UHFFFAOYSA-N 356.403 2.367 0 40 FEAB CC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)C[C@@H]1C(N)=O 1848353592 MNVLZMFFURBGSV-LJQANCHMSA-N 355.413 2.011 0 40 FEAB Cc1cc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)nc(C2CC2)n1 1888897675 AMKCWAYBGYCUKU-UHFFFAOYSA-N 364.457 2.044 0 40 FEAB C[C@H]1CN(CC(=O)Nc2cccc(I)c2)C[C@@H](C)O1 14159185 KUDGIQBHOCMLON-PHIMTYICSA-N 374.222 2.339 0 40 FEAB Cn1nc([C@H]2CCCCN2C(=O)c2ccnc(N3CCCC3)c2)cc1O 2037844060 MRRNLOASUJSEFU-MRXNPFEDSA-N 355.442 2.488 0 40 FEAB O=C1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CN1Cc1cccc(F)c1 1565550765 FJJQSOPLEIKJNF-DZFIZOCASA-N 372.440 2.059 0 40 FEAB CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 4057373 NDVCHVNIIXPCDZ-UHFFFAOYSA-N 371.466 2.354 0 40 FEAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 5056464 INCIYLLDUYDTTQ-UHFFFAOYSA-N 365.437 2.327 0 40 FEAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3)CC2=O)cc1 9035965 FSUBOXYDFMABDS-HNNXBMFYSA-N 374.462 2.417 0 40 FEAB COc1ccc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cc1 2055730252 PVRMNUIPMOVXJR-MRXNPFEDSA-N 357.454 2.163 0 40 FEAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2cccs2)no1 49407692 GQRWSLTWXWENSG-UHFFFAOYSA-N 352.375 2.159 0 40 FEAB Cc1ccc(C)c(N2C(=O)C[C@H](SC(=S)N3CCOCC3)C2=O)c1 13576710 RCQUUFLVKZPYDG-AWEZNQCLSA-N 364.492 2.286 0 40 FEAB O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 23102772 MNTHQFCCDOGDJE-UHFFFAOYSA-N 355.442 2.213 0 40 FEAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 40088669 LMJMWZQMIKUWKA-UHFFFAOYSA-N 370.384 2.356 0 40 FEAB Cc1ccc(-c2nc(C)c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)s2)o1 31274020 PXFNWCYGYQDPQR-OAHLLOKOSA-N 354.453 2.327 0 40 FEAB CCCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(C3CC3)c2C)CC1 21583231 ZXEYQJYACRMSIG-UHFFFAOYSA-N 374.529 2.156 0 40 FEAB C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 32926434 DQRIERIWHDKMFK-HNNXBMFYSA-N 374.485 2.304 0 40 FEAB COC(=O)c1ccc(=O)n(CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 22322753 FKPLJWDFIAHHNO-UHFFFAOYSA-N 356.422 2.462 0 40 FEAB Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl 22351836 NRRCRRGIUNPLKB-LBPRGKRZSA-N 359.875 2.454 0 40 FEAB O=C(/C=C/c1ccsc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42267486 NWRWMYULZPTHQL-DAFODLJHSA-N 351.405 2.038 0 40 FEAB Cc1ccc(-n2nnnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 54058940 YNFLXXLRGBKPAI-INIZCTEOSA-N 368.485 2.446 0 40 FEAB O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2c1cccc(Br)c1 3296655 NWJUKTDRHCWACL-UWVGGRQHSA-N 364.311 2.453 0 40 FEAB Cc1nccc(CNC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n1 56472259 FOUYMBASVVVASU-UHFFFAOYSA-N 367.453 2.197 0 40 FEAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 26008179 DUSSGWRYBFOFJE-LLVKDONJSA-N 360.435 2.441 0 40 FEAB COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 26455883 DLWADIYWRGQCNA-SFHVURJKSA-N 373.453 2.208 0 40 FEAB C[C@@H](NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 102082333 IIXZMSBXPZPYQB-ZQDHUIFJSA-N 364.445 2.305 0 40 FEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 57743302 WUCDIVJOFBFWLS-ZDUSSCGKSA-N 364.467 2.128 0 40 FEAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1cncn1 58165862 SJQBHVTXGWVKEG-UHFFFAOYSA-N 356.405 2.289 0 40 FEAB COc1cccc(CNCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 58444811 WSNBFSFNOALRNM-UHFFFAOYSA-N 355.438 2.260 0 40 FEAB CCCNC(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492733 ZAESCDAXDATXRW-UHFFFAOYSA-N 371.462 2.357 0 40 FEAB COc1ccc(-c2noc(CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1 28218107 DMUJLLVOGVXCLF-GJZGRUSLSA-N 355.394 2.463 0 40 FEAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(Br)c1 101336366 JAYMFRYWIBHXEG-CYDGBPFRSA-N 352.184 2.350 0 40 FEAB CCCCn1nc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccc1=O 45602259 QGKTYNREUORCIT-UHFFFAOYSA-N 368.481 2.310 0 40 FEAB CCc1ccccc1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 29280937 QPLIWGTXGPIMJO-QGZVFWFLSA-N 354.385 2.447 0 40 FEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)NC(=O)c1ccco1 29369984 ATYGTDDSTGSZLQ-HNNXBMFYSA-N 370.453 2.097 0 40 FEAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(F)cc1Cl 3224847 SBSLIKSSZHBXDT-UHFFFAOYSA-N 364.760 2.391 0 40 FEAB Cc1ccccc1Cn1nc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102015726 KHIWWEHDGIJZCS-LAQRGFTBSA-N 351.406 2.215 0 40 FEAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 2643852 AIHUJPWNARHZRM-AWEZNQCLSA-N 357.410 2.046 0 40 FEAB Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12617388 PFJZFZHVCZGAAI-UHFFFAOYSA-N 368.462 2.022 0 40 FEAB COCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)sc2cccc(F)c12 52603454 PMDZRFYXCJQQJV-SECBINFHSA-N 357.428 2.104 0 40 FEAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082266 MELPLCAVHISQKD-AODFDATNSA-N 354.381 2.206 0 40 FEAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 27947151 LXBWDFBMSJUKBY-MRXNPFEDSA-N 365.433 2.424 0 40 FEAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)O[C@@H]1CCOC1=O 4316166 UETOAUJPESZXFU-OAHLLOKOSA-N 367.357 2.075 0 40 FEAB Cc1cc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)no1 9525767 FZKLZMTZBCWSGG-UHFFFAOYSA-N 371.271 2.279 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1 67106537 BACMVXQJUJNBDQ-ZIAGYGMSSA-N 360.414 2.027 0 40 FEAB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1sccc1C(N)=O 7302544 XVQBQNBWOOWJOC-ZETCQYMHSA-N 367.814 2.267 0 40 FEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnn(C)c3)cc2)CC1 8193652 GVAHZKOZCHNDIX-UHFFFAOYSA-N 362.455 2.093 0 40 FEAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2nncn2C)c1 249032520 LWRWBPIHCDICOL-BPUTZDHNSA-N 356.426 2.300 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1F 20042184 LXRXIRSDBIFLAB-UHFFFAOYSA-N 355.387 2.330 0 40 FEAB CSc1ncc(C(=O)NCC(=O)NCc2ccco2)n1-c1ccccc1 8745593 RMZRYEJLVJOQON-UHFFFAOYSA-N 370.434 2.233 0 40 FEAB O=C(NC1(C(=O)O)CCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 89779618 FJNVWGHUYUOZFN-HNNXBMFYSA-N 360.410 2.321 0 40 FEAB C[C@@H]1Cc2cc(C(=O)NCc3cccs3)ccc2N1S(C)(=O)=O 20910580 UDUVLVDCPRXKLS-LLVKDONJSA-N 350.465 2.389 0 40 FEAB COc1cc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc2c1OCCO2 62001411 HCBHUGFDFNCLMN-UYAOXDASSA-N 352.390 2.391 0 40 FEAB biogenic CN(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cn1 172389611 SDGQFHYHUNLNTG-UHFFFAOYSA-N 351.410 2.251 0 40 FEAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCC2CC2)c2ccccn12 306134034 NCEZFEKJUVJVJN-OAHLLOKOSA-N 355.442 2.293 0 40 FEAB O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCOc2cc(O)ccc2C1 553492688 HDUQFCRHOIVCFZ-OAHLLOKOSA-N 358.438 2.294 0 40 FEAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OC 62714900 RUADVJOEQHBVOF-WTSVBCDHSA-N 358.188 2.069 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1Cl 30319008 KXGCTQOZFZUUAC-LLVKDONJSA-N 369.826 2.467 0 40 FEAB Cc1cc(-c2cnc(NCCN3CCOCC3)nc2-c2ccoc2)on1 72396741 NXQYYRKOEBRTFB-UHFFFAOYSA-N 355.398 2.444 0 40 FEAB CCOC(=O)c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nc1 26776137 KWXFZHFMRXSXEQ-UHFFFAOYSA-N 359.348 2.153 0 40 FEAB Cc1ccnc(-c2noc(CN3CC4(CCOCC4)CC[C@@H]3CO)n2)c1 528642974 YNQKXSHARAAVQJ-OAHLLOKOSA-N 358.442 2.194 0 40 FEAB COC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(C)nn1C 72251517 UZHHVZPNUQSPHI-UHFFFAOYSA-N 363.439 2.195 0 40 FEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br 73743148 NZBKPVHXANNCCI-GFCCVEGCSA-N 368.275 2.297 0 40 FEAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218539091 GDGCIHOTFGMORB-XYJFISCASA-N 364.394 2.483 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC1CC1 223995899 HKHSFNBGPIOMKU-UHFFFAOYSA-N 366.483 2.081 0 40 FEAB COCCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O 40398251 WQMCFTFCILZZTL-UHFFFAOYSA-N 355.785 2.406 0 40 FEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 40288310 ZEJNZVAKHQAOSB-ILXRZTDVSA-N 353.397 2.378 0 40 FEAB CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 502496633 TUSJDFVXDLXNCZ-CABCVRRESA-N 358.360 2.261 0 40 FEAB O=C(C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 247882604 WDXNOCSZTHTQPM-KRWDZBQOSA-N 368.437 2.181 0 40 FEAB O=C(c1cscn1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 247880068 VLDKMYZWOJYJOU-CYBMUJFWSA-N 354.439 2.119 0 40 FEAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 247886311 RUVXEPUYLJAVQG-XGNBGGDFSA-N 358.438 2.094 0 40 FEAB CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 257269728 MRDJQYJULGZLAP-HXUWFJFHSA-N 374.460 2.288 0 40 FEAB CCc1nnsc1C(=O)N1CCC(c2ccnc3cc(C)nn23)CC1 257333677 YCPJYOHZHSGCBD-UHFFFAOYSA-N 356.455 2.471 0 40 FEAB COc1ccc2c(c1)CCCN2C(=O)CCCN1C(=O)NC(C)(C)C1=O 27066678 CDXIMXSHVIHOEN-UHFFFAOYSA-N 359.426 2.085 0 40 FEAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)CCO2)n1 257309957 UDAZRPQGQOQSCL-CQSZACIVSA-N 355.398 2.095 0 40 FEAB CCCn1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)n1 257276914 NVQULTKQBLIHAO-OAHLLOKOSA-N 358.446 2.085 0 40 FEAB C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262868420 XJSKLVULCLZENX-IAQYHMDHSA-N 369.439 2.322 0 40 FEAB COc1cccc(C2(NC(=O)[C@H]3CC[C@H](C(=O)O)N3C3CC3)CCC2)c1 630672308 JYGLZOCPPVNHIS-IAGOWNOFSA-N 358.438 2.271 0 40 FEAB CCO[C@@H]1C[C@](O)(CNc2ncc(C(=O)N(C)C)cc2Cl)C1(C)C 682722604 FZKWOMPYCKBTLD-DYVFJYSZSA-N 355.866 2.415 0 40 FEAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 1294622772 GHZPDYRUVUVQNV-UHFFFAOYSA-N 356.403 2.393 0 40 FEAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1309093148 FBMMLGYTLZGDDD-OAHLLOKOSA-N 355.419 2.197 0 40 FEAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1nnsc1C)C2 585110865 RFFGASFMBVELMM-CQSZACIVSA-N 361.471 2.229 0 40 FEAB CC[C@@H]1C[C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(=O)N1 680431291 URUGNASWDNQGHA-VQTJNVASSA-N 371.525 2.458 0 40 FEAB Cc1ccc(CN2CCCN(C(=O)[C@H](C)Sc3nncn3C)CC2)cc1 56407670 GFUPLJASSFPMCE-INIZCTEOSA-N 373.526 2.339 0 40 FEAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)CC2 78875321 OIRNOEGHQADULY-SJORKVTESA-N 374.437 2.427 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188770628 WCSIJCBMHKWHAE-UHFFFAOYSA-N 363.354 2.150 0 40 FEAB Cc1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)o1 1549162786 VUYKUBJJCWOUMP-IBGZPJMESA-N 367.449 2.479 0 40 FEAB CC(C)[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C(C)C)CC3 19445315 SPUFFRHZFCWDJS-OAHLLOKOSA-N 370.497 2.437 0 40 FEAB Cc1n[nH]c(C)c1CC(=O)N1CCC(c2nnc(-c3ccccn3)o2)CC1 19578685 JSXQRBZHRYJIFQ-UHFFFAOYSA-N 366.425 2.420 0 40 FEAB CCN(C(=O)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCN(C)CC1 19665942 KNTZNARJLYEHHD-INIZCTEOSA-N 361.461 2.117 0 40 FEAB CC(=O)N1CCC[C@@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 19765392 HHMQVGJMQCEXIM-QGZVFWFLSA-N 352.438 2.441 0 40 FEAB Cc1ccc(S(=O)(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1Cl 575605352 DKLAORYAJOMZDS-HNNXBMFYSA-N 372.918 2.428 0 40 FEAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4sccc34)CC2)n1 1888890362 BPLMKHFSFFYGID-UHFFFAOYSA-N 364.381 2.451 0 40 FEAB Cn1ncc2c(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)cnc21 14075641 QLSJTHTXWAOSBM-UHFFFAOYSA-N 365.315 2.178 0 40 FEAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 14137076 SHVUEUFNKYGBHL-KRWDZBQOSA-N 351.406 2.405 0 40 FEAB COc1ccc(CN(C)CCC(=O)Nc2ccccc2C(N)=O)cc1F 25925465 DRCFDJDODLQKKJ-UHFFFAOYSA-N 359.401 2.394 0 40 FEAB CCN=c1[nH]c([C@H]2CCCN2C(=O)c2cnc(C)cn2)c2sccn12 2037838654 UPLTVAUDNFGAMI-CYBMUJFWSA-N 356.455 2.325 0 40 FEAB Cn1nccc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840406 LZPDBUDRLAIJDW-HXUWFJFHSA-N 372.444 2.347 0 40 FEAB Cn1nccc1N1CCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 1565542270 HWAWWBUMHQYSSD-UHFFFAOYSA-N 356.401 2.219 0 40 FEAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)NC=N3)c1 15682361 DEFRMNIYPAGTCE-UHFFFAOYSA-N 365.436 2.056 0 40 FEAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)c1 4518712 AMYLCNSEPVYTJN-UHFFFAOYSA-N 363.352 2.322 0 40 FEAB COc1ccccc1[C@H]1N=C(N2CCCCC2)Nc2nc(C)cc(=O)n21 101391958 SOQLJMCDWYAYOV-KRWDZBQOSA-N 353.426 2.375 0 40 FEAB Cc1oc(-c2cccs2)nc1CC(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 40116271 FSBPDQKBBZQKQM-UHFFFAOYSA-N 366.406 2.495 0 40 FEAB Cc1c(C(=O)NC2=NCCS2)cnn1-c1ccc(C(F)(F)F)cn1 30805901 BGSSRTQQYXDSIS-UHFFFAOYSA-N 355.345 2.427 0 40 FEAB CC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccs1 31353735 DSWDBGHXMRZIKI-OAHLLOKOSA-N 374.462 2.446 0 40 FEAB O=C(CCC(=O)N1CCC(c2nc3ccccc3o2)CC1)N1CCOCC1 33024184 POXSBXMCHNHZJZ-UHFFFAOYSA-N 371.437 2.173 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)s1 21905473 RCEFRRAUJJYURC-KGLIPLIRSA-N 370.540 2.492 0 40 FEAB Cn1[nH]c(C(C)(C)C)c/c1=N\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 103899929 LHSXDYJWNSHHRO-CPNJWEJPSA-N 371.409 2.388 0 40 FEAB O=C(CN1C(=O)CSc2ccccc21)Nc1cccnc1-n1cccn1 23171529 KHACHWXKLFEGNV-UHFFFAOYSA-N 365.418 2.345 0 40 FEAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23686206 IQCROSBKVUVYSS-KBXCAEBGSA-N 361.467 2.219 0 40 FEAB O=C(CSC(F)(F)F)Nc1cccc(N2CCCS2(=O)=O)c1 79047353 UTZLXAJNGUBAFL-UHFFFAOYSA-N 354.375 2.418 0 40 FEAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1nnc2ccccn12 25065425 SFFPOVVIAYNMTR-KRWDZBQOSA-N 366.425 2.192 0 40 FEAB CCn1c(=O)n(CC(=O)N(CCOC)Cc2ccco2)c2ccccc21 25096470 BGSLKLMTOCWVKO-UHFFFAOYSA-N 357.410 2.091 0 40 FEAB O=C1[C@H]2CCC3(C[C@H]2C(=O)N1CCc1c[nH]c2ccccc12)OCCO3 3087204 JZFNLGWIUKSTKD-JKSUJKDBSA-N 354.406 2.239 0 40 FEAB biogenic O=C(Nc1ccc(-n2cncn2)c(F)c1)C1CCN(c2ncccn2)CC1 56085236 FAXLOZMKDJOQLV-UHFFFAOYSA-N 367.388 2.052 0 40 FEAB Cc1cc(C(N)=O)ccc1NC(=O)c1nc(N2CCCC2)ncc1Cl 44519358 OALAXHQEIANNGT-UHFFFAOYSA-N 359.817 2.390 0 40 FEAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)c1 8415577 SDMJVIGIWAHIDA-UHFFFAOYSA-N 373.365 2.086 0 40 FEAB CC(=O)NCCc1ccc(C(=O)COC(=O)CCc2ccccn2)s1 58162009 GYQHZCJVZUYIOR-UHFFFAOYSA-N 360.435 2.180 0 40 FEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 58047531 VFSZNNAPLWSNSR-OAHLLOKOSA-N 365.499 2.287 0 40 FEAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2cccs2)cc1S(N)(=O)=O 9499159 LZHAUGHPFBCKLY-LBPRGKRZSA-N 367.496 2.335 0 40 FEAB Cc1c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)oc2c(Cl)cccc12 10867234 ROWLJRFHQOIPSJ-UHFFFAOYSA-N 362.769 2.149 0 40 FEAB O=C(COC(=O)c1cncc(Br)c1)NCCc1ccccc1 3254534 WNPLGSITDNRTMR-UHFFFAOYSA-N 363.211 2.360 0 40 FEAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1Cl 36389614 BFCQOPYZAMAORB-SFHVURJKSA-N 373.840 2.460 0 40 FEAB CCCNC(=O)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11241081 MMHAHIPCXCCTKQ-LBPRGKRZSA-N 358.417 2.145 0 40 FEAB COc1cc(/C=C/C(=O)OCC(=O)NC(C)(C)C)cc(OC)c1OC 3289638 YMVPDTPNKRKBCG-BQYQJAHWSA-N 351.399 2.184 0 40 FEAB COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCOCC2)cc1 20098653 NOVVABBCUYGIRE-QGZVFWFLSA-N 371.466 2.213 0 40 FEAB Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cnc(N(C)C)nc1)C2 100149209 MEDGYCJCUKUPNU-ROUUACIJSA-N 367.497 2.366 0 40 FEAB CNC(=O)NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 47257265 DPWSLUVXJQLDTK-GFCCVEGCSA-N 356.426 2.110 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CC2)nnc1-c1ccncc1 12465558 GXNMJQDWQQTFIX-NSHDSACASA-N 374.470 2.219 0 40 FEAB COCCn1cc(C(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1=O 48276108 KSIZWCRGEZQBBY-LBPRGKRZSA-N 350.365 2.134 0 40 FEAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NC(N)=O 12751090 OIJLUGFWNRSILS-SNVBAGLBSA-N 366.439 2.134 0 40 FEAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 12824099 UHULGDJIHMBRAK-LLVKDONJSA-N 352.387 2.318 0 40 FEAB COc1cccc(CNC(=O)COC(=O)c2cnn(-c3ccccc3)c2)c1 12926280 BCJTYKGZISAJGC-UHFFFAOYSA-N 365.389 2.354 0 40 FEAB O=C(c1cc(C2=NN=C(NCc3ccco3)SC2)c[nH]1)N1CCCC1 9386496 AKYPUQGLNVPFOL-UHFFFAOYSA-N 357.439 2.440 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 5226126 DXZONQPODGOXKV-LBPRGKRZSA-N 357.362 2.291 0 40 FEAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)c1ccccc1 6408787 BOXDQEUGAKHPAS-ZDUSSCGKSA-N 361.419 2.365 0 40 FEAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CNC[C@H]2CCCO2)cc1 6543720 JLPBOZPGSAEWNL-UYAOXDASSA-N 355.434 2.426 0 40 FEAB CN1C(=O)C2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=S 6672499 MQXKFUMXXQJCMH-OAHLLOKOSA-N 357.479 2.193 0 40 FEAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)NC[C@@H]4CCCO4)c23)C1 5937669 YDKFXCXXKRFWBY-RYUDHWBXSA-N 361.467 2.490 0 40 FEAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 7058576 QCESGAMETIOESX-UHFFFAOYSA-N 357.362 2.327 0 40 FEAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15587291 HPLVGLYJIIPNBJ-UHFFFAOYSA-N 350.374 2.344 0 40 FEAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cnc21 96686931 ZMLDPOSBMKXGGQ-UHFFFAOYSA-N 373.394 2.248 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1Cl 408552226 KFPLEYVAJSUWKF-LLVKDONJSA-N 362.879 2.178 0 40 FEAB CN(C)c1ccc([C@H](CNS(N)(=O)=O)c2c[nH]c3ccccc23)cc1 74036614 ZFQTZURTNJDDQI-INIZCTEOSA-N 358.467 2.159 0 40 FEAB Cc1nccn1-c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)cc1F 84291018 PVHSUDGQGHIIGB-ZDUSSCGKSA-N 360.311 2.042 0 40 FEAB C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 95997700 QKVATGBDQSMIJS-BDJLRTHQSA-N 365.861 2.154 0 40 FEAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1c[nH]c2ncccc12 95961601 RIJNOZBBMFIUHA-UHFFFAOYSA-N 353.306 2.340 0 40 FEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 408598392 ZSKYQYWSENJMCS-CXUHLZMHSA-N 370.336 2.382 0 40 FEAB COc1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1OC 35622794 UVCLLQAVMFHLMJ-UHFFFAOYSA-N 373.457 2.171 0 40 FEAB O=C(NC1CN(C(=O)Nc2ccnc(OCc3ccccc3)c2)C1)C1CC1 551874375 KZDGXVWIDIOQOX-UHFFFAOYSA-N 366.421 2.403 0 40 FEAB NC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218663484 KVNGUSYHLWIQQR-PMPSAXMXSA-N 354.834 2.075 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218035066 MKBAIRRQJRJAHB-LNLFQRSKSA-N 359.447 2.135 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217560918 UUIUBLCAPPQPEA-VXGBXAGGSA-N 356.444 2.053 0 40 FEAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 41077655 JSIQLFIOPLJXSL-UHFFFAOYSA-N 354.457 2.001 0 40 FEAB CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C[C@@H](C)n2ccnc2)s1 565052250 WMTQJYCSWUKJPI-IJLUTSLNSA-N 364.475 2.028 0 40 FEAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 40033874 GFMOZHJIKFPPHD-MDZDMXLPSA-N 358.463 2.393 0 40 FEAB CN(C)S(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(F)cc1 224191064 GGBIHHFSRFFSSP-UHFFFAOYSA-N 371.478 2.135 0 40 FEAB O=C(C=C1CCC1)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 1069909424 XMRKTIFJVUINFO-MSOLQXFVSA-N 355.417 2.069 0 40 FEAB c1csc(CN2CCC[C@]3(COCCN(c4nncs4)C3)C2)n1 96049668 JJLBXPHCHVWMLM-HNNXBMFYSA-N 351.501 2.114 0 40 FEAB CC[C@@H](CS(=O)(=O)Nc1cc(Br)cc(C(=O)O)c1)OC 421150376 ILXOHVPFRVBEQP-NSHDSACASA-N 366.233 2.314 0 40 FEAB COc1cncc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)n1 579113931 OYGANFIDHPXOQE-UHFFFAOYSA-N 351.410 2.456 0 40 FEAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)C1CCOCC1)CC2 96199671 WBZTYMALKWGCTE-GOSISDBHSA-N 356.466 2.420 0 40 FEAB Cc1ccc2c(c1)[C@@]1(N[C@@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 95346214 YYDFFHKIEHTPIA-OSAWLIQMSA-N 369.465 2.170 0 40 FEAB CN(Cc1ccncc1)[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1 96048076 VLVHWXIIKGWBNV-IBGZPJMESA-N 355.486 2.071 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247866693 OUFUSPAUJOWGFS-CQSZACIVSA-N 355.394 2.257 0 40 FEAB Cc1cc2c(N3CCN(C(=O)OC[C@H]4CCCO4)CC3)ncnc2s1 585082765 BMIMABSOFXXQRV-CYBMUJFWSA-N 362.455 2.437 0 40 FEAB c1cnc(NC[C@H]2CCC3(CN(Cc4ccc5c(c4)OCO5)C3)OC2)nc1 248329263 DBBCWFJFLGFVBJ-MRXNPFEDSA-N 368.437 2.298 0 40 FEAB CC(=O)N1[C@H]2CCCCCN(CC(N)=O)[C@@]2(C)C[C@H]1Cc1ccccc1 257297140 RGBNPSKBLDXIDF-DYXWJJEUSA-N 357.498 2.339 0 40 FEAB C[C@]1(NC(=O)c2cncc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1 257231986 GIXOUHUQJSRZIU-SFHVURJKSA-N 362.426 2.119 0 40 FEAB COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)cc1OC 85436494 OHLDGUJTEUYYSI-HNNXBMFYSA-N 351.424 2.106 0 40 FEAB Cc1nc(O)cc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 257230671 GDIRCOGMODJINZ-INIZCTEOSA-N 357.385 2.261 0 40 FEAB CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1C 257325359 WSPLKKPVJRFGCL-QUCCMNQESA-N 357.498 2.457 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257264821 LWCULIZCYNCHRH-SFHVURJKSA-N 357.458 2.033 0 40 FEAB O=C(C1CC1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1635197566 SXKMHTSKKSINAK-UHFFFAOYSA-N 361.243 2.384 0 40 FEAB Cc1noc([C@H]2CN(C(=O)c3ccncc3C(F)(F)F)C[C@@H](C)O2)n1 628861951 FNSHVHWWZNXOCB-PRHODGIISA-N 356.304 2.394 0 40 FEAB CS(=O)(=O)Nc1ccccc1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 1117222338 DDHBYEHFVNIHML-MRXNPFEDSA-N 362.455 2.078 0 40 FEAB COc1cccc(C[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)C(=O)O)c1 630241900 CSBUZBZSSRUJKR-FCGDIQPGSA-N 351.402 2.393 0 40 FEAB CN(CCC(=O)O)S(=O)(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 645993430 ZZFIJZVAOFZCPK-SFHVURJKSA-N 374.462 2.437 0 40 FEAB O=C(O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)O)cc2)cc1 112963478 WFBOYZZQPYDMKX-UHFFFAOYSA-N 358.302 2.097 0 40 FEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)COc2cccnc2)C1 585276569 NCUMCXOKUFRCGU-HXUWFJFHSA-N 356.422 2.201 0 40 FEAB COc1cccc(CN2C[C@H](CC(=O)N3CCCC3)[C@@H](OC)C2)c1F 585276954 FAEKDPKXKDQGGQ-RDJZCZTQSA-N 350.434 2.294 0 40 FEAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCCc2ccncc2)[C@@H]1O 585280318 FFKUNNOCZCFEBQ-AQNXPRMDSA-N 353.466 2.012 0 40 FEAB Cc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2c(O)nn3C)cc1 31782575 ZFEVZWKBFKEPHN-UHFFFAOYSA-N 354.410 2.442 0 40 FEAB Cc1csc(Nc2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)n1 72363619 CXCLWDFAMTUNNR-ZDUSSCGKSA-N 360.487 2.253 0 40 FEAB Cc1cccc(C(=O)N2CCC(O)CC2)c1NS(=O)(=O)c1ccccc1 45774135 OFCOEGQBDVDCTM-UHFFFAOYSA-N 374.462 2.393 0 40 FEAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@@H](C)O1 57378802 QZSPCUHRAOVRIO-BZUAXINKSA-N 365.905 2.486 0 40 FEAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCN(C(=O)C(C)C)C3)c2)CC1 19705388 BIWGEZDBAFTRMN-QGZVFWFLSA-N 358.486 2.030 0 40 FEAB COc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1OC 11379269 FVAKFROQWNTBLP-UHFFFAOYSA-N 355.394 2.386 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 11710837 MBUIHGHHTZXGKK-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB COc1cc(CCC(=O)Nc2cccc(C(N)=O)c2)cc(OC)c1OC 12671960 NRMKUKNRHHSFHG-UHFFFAOYSA-N 358.394 2.383 0 40 FEAB CC(C)Cn1nccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12936426 CTDDNKTWPUXQKC-UHFFFAOYSA-N 350.444 2.042 0 40 FEAB COC[C@H](C)NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14400363 ORPNGYOGYIXEBR-HNNXBMFYSA-N 356.488 2.001 0 40 FEAB CN1CCc2nc([C@@H]3CCCN3C(=O)c3cc(C4CC4)nn3C)ncc2C1 19288823 SWTKIMAKXWVTPA-KRWDZBQOSA-N 366.469 2.053 0 40 FEAB CN(C(=O)[C@H]1CCCO1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586676 FHWBZYJVYCEWEP-GBXVCHKXSA-N 358.438 2.128 0 40 FEAB CC(C)[C@H]1CN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 537608271 QIENWUHQTSGUFX-ZWKOTPCHSA-N 359.470 2.102 0 40 FEAB COc1ccc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cn1 21734923 MJDBFJDBXPBAIS-UHFFFAOYSA-N 354.362 2.323 0 40 FEAB O=C1CN(c2ncnc3cnccc23)CCN1c1ccnc(C(F)(F)F)c1 1889148828 CYLMLEQCDYHXFE-UHFFFAOYSA-N 374.326 2.292 0 40 FEAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCN3CCCC3=O)C2)cc1C 2037913136 VHMIJUQIQZRCOW-OAQYLSRUSA-N 374.481 2.048 0 40 FEAB CC1CCN(C(=O)c2cc3c(CNC(=O)CCF)nn(C)c3s2)CC1 1565555390 ZUXMOTGUJORHIR-UHFFFAOYSA-N 366.462 2.483 0 40 FEAB CN1Cc2ncc(-c3ccccc3)n2C[C@@]12CCN(C(=O)[C@H]1CCOC1)C2 1565547435 PMDZSFOZNOLWIZ-UWJYYQICSA-N 366.465 2.003 0 40 FEAB Cc1ccccc1Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001662 ZNYWDEFRJUQFFH-UHFFFAOYSA-N 358.401 2.358 0 40 FEAB O=S(=O)(NCCn1ccn2nccc12)c1ccc(OC(F)(F)F)cc1 206746910 IHXXHSZDVZRDQO-UHFFFAOYSA-N 374.344 2.013 0 40 FEAB Cn1c(N2CCN(c3ccc(Br)cn3)CC2)nc2cccnc21 2298065006 YIZSXQMDGXHVPR-UHFFFAOYSA-N 373.258 2.452 0 40 FEAB Nc1nc(Cl)cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 40067171 APUUDCUQVTVIKK-UHFFFAOYSA-N 358.755 2.453 0 40 FEAB C[C@@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1 32594130 LFOJNGIROQSJIA-INIZCTEOSA-N 360.479 2.353 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccco2)N2CCOCC2)cc1OC 21198411 QLICDOZUZNCQCC-OAHLLOKOSA-N 360.410 2.100 0 40 FEAB COc1cc(C)c(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1OC 32929494 SCLJCTSSJOUUSW-ZDUSSCGKSA-N 356.488 2.022 0 40 FEAB CC(=O)N1C[C@@H](C(=O)Nc2cccnc2-n2cccn2)Oc2ccccc21 23171552 TZCDSPCTBWGVLO-KRWDZBQOSA-N 363.377 2.020 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N(C)C)nc1 24032659 PCHRDRIABQVGJV-SFHVURJKSA-N 365.437 2.315 0 40 FEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)o1 959683 QWGQYNAHQOYOEU-NSHDSACASA-N 353.176 2.486 0 40 FEAB COc1ccc(C(=O)OC[C@H]2CNC(c3ccccc3)=NO2)c(OC)c1 79063017 VMPBLBCMXSNXKF-OAHLLOKOSA-N 356.378 2.211 0 40 FEAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)n1 6138566 MFMDLLXOCBHZFO-UHFFFAOYSA-N 362.459 2.387 0 40 FEAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6325769 YCXIZYLMFRJMJX-UHFFFAOYSA-N 356.488 2.305 0 40 FEAB CN(C)c1ncccc1CNC(=O)NCc1ccccc1-n1ccnc1 56895303 IDTCQTJHOZACCX-UHFFFAOYSA-N 350.426 2.333 0 40 FEAB Cc1ccc(N2C(=O)C[C@H](Sc3nnc4nc(C)cc(C)n34)C2=O)cc1 102242767 DLWWOKJFCVYLMF-AWEZNQCLSA-N 367.434 2.474 0 40 FEAB Cc1cccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1C 8060315 LRJNWSKDPJURQF-UHFFFAOYSA-N 357.435 2.323 0 40 FEAB CN1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 3217358 VCPPGUCOOMUKNY-UHFFFAOYSA-N 367.478 2.493 0 40 FEAB Cc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)cn1 58195141 UZNOTLVDWHXYAH-UHFFFAOYSA-N 359.451 2.304 0 40 FEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 28278416 FRKXKRGJZLLBHL-ZDUSSCGKSA-N 362.398 2.431 0 40 FEAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccc[nH]2)cs1 29350854 KUAVPXRBDOALLX-UHFFFAOYSA-N 351.391 2.487 0 40 FEAB COc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 56105265 LFFUNVTXDDXBKN-UHFFFAOYSA-N 351.424 2.499 0 40 FEAB COc1ccc(N(CCC(N)=O)C(=O)CN(C)Cc2cccc(F)c2)cc1 12789550 VSZIHFQZDIURKZ-UHFFFAOYSA-N 373.428 2.175 0 40 FEAB COc1cccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 3596711 JTIJGXLUJAHZJP-QGZVFWFLSA-N 367.405 2.187 0 40 FEAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306124367 BNPLARKLEQLRQW-UONOGXRCSA-N 371.872 2.128 0 40 FEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9364090 QEIVHGJESYYXHS-ZWNOBZJWSA-N 350.440 2.437 0 40 FEAB CN(C)CCNC(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 5207908 UGEAFRFJDIIHDG-UHFFFAOYSA-N 368.264 2.495 0 40 FEAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)n1 14085543 DVVKYYDERVIDKM-UHFFFAOYSA-N 356.401 2.137 0 40 FEAB CCn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21 14702071 YDRBHJSTGWAJRS-UHFFFAOYSA-N 353.422 2.408 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3cnc(C)s3)CC2)cc1 98119318 CGHUTTZKEPQCRE-UHFFFAOYSA-N 358.467 2.428 0 40 FEAB Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1C 6923829 QFWSGULJIYKXEM-ZMSDIMECSA-N 350.484 2.374 0 40 FEAB COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CCCO3)n2)cc1 7718615 DCRYZMKJGXOODT-CQSZACIVSA-N 362.407 2.479 0 40 FEAB O=C(C1=CCCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306144695 ZMHIZTWOZPSYTB-OAHLLOKOSA-N 352.442 2.244 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 8244164 JQIUXQTUXZZXEM-KRWDZBQOSA-N 362.495 2.493 0 40 FEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(S(C)(=O)=O)c1 8312275 ZFWHCOSTRRDJSC-UHFFFAOYSA-N 374.462 2.418 0 40 FEAB Cn1ccnc1[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 8778742 JNWHTGKMAFQCNQ-QGZVFWFLSA-N 369.446 2.343 0 40 FEAB CCOC(=O)C[C@@H](c1cc(OC)ccc1OC)c1c(O)cc(C)[nH]c1=O 72405856 VLRSDDJDCJZASK-AWEZNQCLSA-N 361.394 2.491 0 40 FEAB CS[C@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 89598369 MWIUZYNPNAJXDB-MEDUHNTESA-N 363.483 2.287 0 40 FEAB CCOc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1 64871397 IZEGXSCHOXYURR-UHFFFAOYSA-N 363.377 2.082 0 40 FEAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C 72345525 CMGKXGROQYPDAP-INIZCTEOSA-N 370.457 2.358 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)N1CCOC[C@H]1c1ccccc1 73568740 XGTRMTGMCMVRAU-KRWDZBQOSA-N 369.469 2.330 0 40 FEAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1csc(C)n1 306133093 MBOBZNMROUIEFR-CQSZACIVSA-N 374.528 2.189 0 40 FEAB Cc1cc(N2CCC[C@@H](NC(=O)N3CCc4sccc4C3)C2=O)n(C)n1 173566195 MTSTWWIQUXMTPE-CQSZACIVSA-N 373.482 2.053 0 40 FEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@H]3C(=O)O)c12 2103076 NAVWWJGPEUWRJI-ZDUSSCGKSA-N 359.378 2.118 0 40 FEAB biogenic O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1ccccc1Cl 70898315 WNZDYGNRHWDNDY-UHFFFAOYSA-N 373.844 2.101 0 40 FEAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CCCCCC1 408977942 ZURGUXLQJASTIZ-UHFFFAOYSA-N 350.378 2.293 0 40 FEAB C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 1556717284 GWBZVHDLQOMNGJ-WLRWDXFRSA-N 366.421 2.235 0 40 FEAB NCC1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218550692 CAUHBBBAZUMRKN-CVEARBPZSA-N 368.861 2.323 0 40 FEAB Cc1ccc2[nH]c(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2c1 38554545 JNUMRGCNCJKNGK-UHFFFAOYSA-N 362.480 2.444 0 40 FEAB Cc1sc2nc(-c3cccs3)nc(N3C[C@H](O)C[C@@H]3C(N)=O)c2c1C 33010954 UVJOJMKRWKNJJU-GHMZBOCLSA-N 374.491 2.462 0 40 FEAB Cc1cc(CNC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc(C)n1 564557840 XUUZZKTZEZPJJR-MRXNPFEDSA-N 370.457 2.157 0 40 FEAB CCN(CC(=O)N(C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 226054011 ZMMXUHRGKHRSFW-UHFFFAOYSA-N 350.415 2.499 0 40 FEAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223018915 CSIVUWBVIHXYEJ-LBPRGKRZSA-N 366.464 2.198 0 40 FEAB CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)N=C1C 96261435 XEKRSBKTYCQKDX-FUHIMQAGSA-N 354.454 2.257 0 40 FEAB COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)[C@@H]2CC2(C)C)CC1 583615959 XKHGYVVBMFXIJK-AWEZNQCLSA-N 363.458 2.474 0 40 FEAB Cc1ccc(C(=O)N2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)o1 96107122 VEFXQZSJGZVQCH-AEFFLSMTSA-N 354.406 2.482 0 40 FEAB COc1ccc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)cc1 96062331 QVNNRKCCLKSKGH-NRFANRHFSA-N 360.498 2.399 0 40 FEAB COc1cc(N2CC3(C[C@@H](OCc4cnccc4C)CCO3)C2)ncn1 247831517 LMYVZVJMZDFGCO-INIZCTEOSA-N 356.426 2.143 0 40 FEAB Cn1nccc1C(=O)N1CC2(C[C@@H](CCOCc3ccncc3)CCO2)C1 248019588 HLRRRRVPLPGCRB-INIZCTEOSA-N 370.453 2.043 0 40 FEAB CC(C)N1CCC(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)CC1 257263705 LRCGDDMIZXNDLZ-RCCFBDPRSA-N 357.502 2.246 0 40 FEAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](Cc2nccnc2N)C1 257279270 OFVQFNDMGKDSNN-OAHLLOKOSA-N 356.474 2.250 0 40 FEAB CN(C)c1nc([C@H]2CCCN(CC3(O)CCOCC3)C2)cn2cccc12 257307997 TVAPGJVCMBXQMG-INIZCTEOSA-N 358.486 2.121 0 40 FEAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 252514137 BJVJTQCRRMOEPG-IKGGRYGDSA-N 350.871 2.244 0 40 FEAB Cn1ccnc1CN1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 257256060 KJXXBHAUGQRYGR-CQSZACIVSA-N 350.430 2.123 0 40 FEAB O=C(c1cc[nH]n1)N1CCC(Cc2cc(Nc3ccccn3)ncn2)CC1 257336688 YPPAZCXIKNRSPA-UHFFFAOYSA-N 363.425 2.433 0 40 FEAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515154 HQWCVMQDADPXSM-NLWGTHIKSA-N 373.474 2.443 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)on1 253600440 PONHNDWOWWGDAV-KRWDZBQOSA-N 374.441 2.210 0 40 FEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260808048 FBEMCAWLUBJHAB-FHIRATQRSA-N 366.483 2.155 0 40 FEAB Cn1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)nn1 96102972 PHYKKPQHEOKQQQ-UHFFFAOYSA-N 361.365 2.103 0 40 FEAB O=C(Nc1cccc(N2C(=O)CNC2=O)c1)N1CCCC(F)(F)CC1 626298060 HITCKMWKWFLXOD-UHFFFAOYSA-N 352.341 2.396 0 40 FEAB C[C@H](c1nc(CC(=O)NC2CCCC2)no1)n1ccc(C(F)(F)F)n1 632113165 SHBGRQOEGWRKCO-SECBINFHSA-N 357.336 2.496 0 40 FEAB Cn1ccnc1-c1cc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)n(C)n1 585107087 OOHNTTIDFLJMEU-LLVKDONJSA-N 367.335 2.149 0 40 FEAB Cc1ccc(-n2nnnc2N2CCN(C(=O)c3ccc(C)s3)CC2)cc1 54838706 IMMMDVUAEAREJG-UHFFFAOYSA-N 368.466 2.303 0 40 FEAB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 5744305 LLPLBCRARIRNRK-XNTDXEJSSA-N 366.329 2.060 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)CN1CCCC1=O)CC1(CCOCC1)O2 12087032 HKTBYYHJHFPKSI-INIZCTEOSA-N 358.438 2.106 0 40 FEAB CCn1cc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c(C)n1 12121788 WJDDDTHIEXYUNX-UHFFFAOYSA-N 350.426 2.327 0 40 FEAB O=C(c1cccnc1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13266148 XYKUFDFSESYDTC-CQSZACIVSA-N 362.393 2.054 0 40 FEAB C[C@@H]1CCc2c(sc3ncnc(NC4CCN(CC(N)=O)CC4)c23)C1 14729191 ICIAVXXNEVQTKB-LLVKDONJSA-N 359.499 2.178 0 40 FEAB COc1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)c(OC)c1 16777879 LYBAHIGEPSQCQK-UHFFFAOYSA-N 373.438 2.491 0 40 FEAB O=c1nc(NCc2ccc3c(c2)OCO3)[nH]nc1Cc1ccc(F)cc1 16806895 IAHJTKKKALYADJ-UHFFFAOYSA-N 354.341 2.236 0 40 FEAB CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)NC(=O)N3)sc2C1 19082483 RYXJPGSEEBGFJN-GXSJLCMTSA-N 364.471 2.221 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 19346694 AZTANRLGMSMLPT-HNNXBMFYSA-N 367.428 2.088 0 40 FEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(-n2cccn2)c1 19406195 IYHARJPVRDMKMN-UHFFFAOYSA-N 351.341 2.111 0 40 FEAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)COc2ccccc2OC)n1 19522537 VNUOONYURUGPMM-CQSZACIVSA-N 357.410 2.083 0 40 FEAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccn2)C3)c(OC)n1 19594759 JXQGDZYMGGCTLY-DBIVSCPCSA-N 370.453 2.009 0 40 FEAB O=C(Cn1ncc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 19656474 QNCAZLYGMDBOIZ-UHFFFAOYSA-N 358.401 2.463 0 40 FEAB CS(=O)(=O)Nc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1 30447916 QQCAUVNLCFIPTN-UHFFFAOYSA-N 365.480 2.347 0 40 FEAB Cc1csc2nc(CSc3nnnn3-c3ccccc3)cc(=O)n12 5035457 BAWYYYNMCVSXOG-UHFFFAOYSA-N 356.436 2.332 0 40 FEAB O=S(=O)(CCOc1ccccc1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889205714 XFQRLQGYRXABMC-WMZOPIPTSA-N 373.478 2.001 0 40 FEAB O=C(COc1ccccc1Cc1ccccc1)NCCCN1CCOCC1 25248394 SCLHCWGBCHMOOK-UHFFFAOYSA-N 368.477 2.495 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCCCCC1 2037915980 FOXOYUVYGGCXGB-FQEVSTJZSA-N 364.461 2.434 0 40 FEAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(Cc4cn[nH]c4)C3)C2)cc1 1203091136 WJQOVVIUOLCQIM-IBGZPJMESA-N 369.425 2.168 0 40 FEAB COc1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1 5221558 NGGHLSHQUUPRBW-AWEZNQCLSA-N 370.405 2.248 0 40 FEAB Cc1cc(C(=O)N2CCN(C3=NN=C(c4ccccc4)CS3)CC2)no1 36709940 FZGSWUPVJJPVHT-UHFFFAOYSA-N 369.450 2.248 0 40 FEAB Cc1noc(C)c1CC(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575616760 JYSNWIGRICLTOL-HNNXBMFYSA-N 366.421 2.408 0 40 FEAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCCn1cccn1 30171582 UMODSRZRLZXANQ-INIZCTEOSA-N 364.449 2.290 0 40 FEAB O=C(CN1CCOc2ccccc21)Nc1ccc(N2CCOCC2)cc1 40072447 FDXSGGCBOWRDNF-UHFFFAOYSA-N 353.422 2.361 0 40 FEAB Fc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1 20662100 UAIYBOOXYINUCJ-UHFFFAOYSA-N 356.405 2.089 0 40 FEAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(N)nc(N(C)C)n2)c1 32854135 WYJOPBLBHSBYMI-GFCCVEGCSA-N 360.487 2.397 0 40 FEAB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)cc1OC 32851065 AWFWUNHXUKIWEU-OAHLLOKOSA-N 373.453 2.442 0 40 FEAB CCCN1C(=O)N[C@@H](c2ccc(-n3cncn3)c(F)c2)C(C(=O)OC)=C1C 32903117 SSDXOGOVSJHWNJ-INIZCTEOSA-N 373.388 2.330 0 40 FEAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCCN(C(N)=O)C1 32954217 UHLZHSKUTNVLKI-GFCCVEGCSA-N 359.348 2.334 0 40 FEAB CCOC(=O)C1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 22080238 IQZJKKXHSSKMRG-MRXNPFEDSA-N 358.438 2.379 0 40 FEAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2cc(C)c3ccccc3n2)C1=O 12533349 GOLNXANYWXWJQF-SFHVURJKSA-N 372.450 2.387 0 40 FEAB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc(Cl)cc1 24830303 XFHMXGRXVYGQDP-HNNXBMFYSA-N 360.797 2.488 0 40 FEAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 24817356 LTJIDDSHSRAQSX-KRWDZBQOSA-N 372.490 2.488 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccccc1 25180406 BEUJAZIDRJVMLO-UHFFFAOYSA-N 352.390 2.182 0 40 FEAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc(F)cc1Cl 26542463 FQBZZCWQNUFXGG-UHFFFAOYSA-N 353.766 2.256 0 40 FEAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(-n2cnnn2)c1 8075792 UWAUXVUFQLCIDD-UHFFFAOYSA-N 362.437 2.188 0 40 FEAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cccs2)CC1 10028385 ATXIZQITMPNGLU-ONEGZZNKSA-N 368.505 2.356 0 40 FEAB COC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(N)=O 89376006 KOMXTVDASXZTOC-CQSZACIVSA-N 358.463 2.479 0 40 FEAB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@@H]3[C@H]6[C@]51C)C2 104289791 KFIOKJOORAWZOI-LBWVDCPVSA-N 353.466 2.436 0 40 FEAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC[C@@H](C)c1ccccc1 58184899 XSIFZCBWQLBIJY-GFCCVEGCSA-N 352.442 2.176 0 40 FEAB Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108531076 LSFQFOHLKCPYJP-RDJZCZTQSA-N 352.429 2.326 0 40 FEAB O=C(Nc1ccncc1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58201370 BNQVDFPPMIKPGE-DLBZAZTESA-N 362.389 2.294 0 40 FEAB COc1ccc(N2CN(C[C@@H]3CCCO3)Cn3c2nc(C)c(C)c3=O)cc1 36125676 LDUXTSPXXJRCQJ-SFHVURJKSA-N 370.453 2.416 0 40 FEAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)c1 24359652 COEMVTUQCLKIIA-UHFFFAOYSA-N 369.826 2.484 0 40 FEAB CONS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1 48170085 XUEMZAPQWPJOBY-UHFFFAOYSA-N 368.842 2.452 0 40 FEAB Cc1cc(N2CCN(C)CC2)nc(SC[C@@H]2COc3ccccc3O2)n1 3307088 CZCDTZINMVWBGJ-HNNXBMFYSA-N 372.494 2.469 0 40 FEAB CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/c1cnc2ccccc2n1 3380913 QNPPRJSFQMOGLT-BQYQJAHWSA-N 370.409 2.058 0 40 FEAB COC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 48364385 HMCJBSDSYRJNDS-CQSZACIVSA-N 359.426 2.272 0 40 FEAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)CC2(CCCC2)C1=O 12868966 HBBNSNROKKGYJF-UHFFFAOYSA-N 363.845 2.487 0 40 FEAB COc1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 3594616 FWBDBVPSGCICJY-FQEVSTJZSA-N 352.390 2.468 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(CC)c1C 3513160 XHNGXMLBSPEHPX-UHFFFAOYSA-N 369.472 2.050 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)no1 12948411 PGBFFNBAJPXABW-BXKDBHETSA-N 361.329 2.118 0 40 FEAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccco1 12982430 UDXWESCRTPZAST-ADLMAVQZSA-N 359.357 2.063 0 40 FEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 3610520 UQSRYELWJYBCTC-OAQYLSRUSA-N 365.433 2.121 0 40 FEAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 13260608 IRGCACYPPCTUQZ-RYUDHWBXSA-N 350.802 2.016 0 40 FEAB CC(=O)NCCc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 9337805 CFDOWFWCFJVNCG-UHFFFAOYSA-N 364.405 2.248 0 40 FEAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C 13844604 JRMOOBKFBNUDFR-UHFFFAOYSA-N 374.462 2.144 0 40 FEAB CN1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 97618003 MCDCVHCXOJMKCW-KRWDZBQOSA-N 371.506 2.253 0 40 FEAB CNC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 95395532 CINAIGDTCSVULJ-AWEZNQCLSA-N 368.433 2.370 0 40 FEAB COC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 14016997 ZBSUUMNKLIVUBN-MRXNPFEDSA-N 374.462 2.338 0 40 FEAB CC(C)CCNC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 7509329 HBCNSHPSIRCIBM-CQSZACIVSA-N 369.849 2.145 0 40 FEAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)SCCN(C)C 83827750 DDHBRATUCFZOPA-CQSZACIVSA-N 351.516 2.329 0 40 FEAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 7946330 CCSVUQNXPGRFHJ-UHFFFAOYSA-N 366.468 2.273 0 40 FEAB COc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(C)=O)c2)c1 8294579 OBKBKJKVVRLBCE-UHFFFAOYSA-N 355.394 2.364 0 40 FEAB COc1ccc(N2C[C@H](C(=O)N[C@@H](CCO)C3CCCCC3)CC2=O)cc1 95426651 AIOSSEUGALSUAZ-APWZRJJASA-N 374.481 2.496 0 40 FEAB CC(=O)N1CCc2nc(C)nc(NCc3nc4ccccc4o3)c2CC1 65531185 ODENGZWTLNCZJD-UHFFFAOYSA-N 351.410 2.485 0 40 FEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(C(=O)c2ccco2)CC1 27157620 VFJODSLDFNWLLF-UHFFFAOYSA-N 353.300 2.292 0 40 FEAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 408526467 BFQOYBHVCHOOLH-UHFFFAOYSA-N 369.406 2.384 0 40 FEAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(CC3CC3)C[C@H]1C2 306124720 BXRYBRDQIMXSTM-KGLIPLIRSA-N 355.417 2.184 0 40 FEAB CC(C)(O)C1CN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 547702676 MZIFSAHWPDVHQY-CQSZACIVSA-N 367.440 2.342 0 40 FEAB COc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCC(C)CC1 408703862 ZZWBIWNQKVACFD-UHFFFAOYSA-N 354.472 2.254 0 40 FEAB COc1ccc(CCNC(=O)C[C@@H](c2ccsc2)n2cnnn2)cc1 524734566 RKWLBQYFUVDTJM-INIZCTEOSA-N 357.439 2.082 0 40 FEAB O=C(CSc1nnnn1[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1cccc(C(=O)O)c1 217684783 OJOOHJOLGXYNRB-WDMOLILDSA-N 371.422 2.239 0 40 FEAB COCCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 72338769 WNGAUFNQWOMJDC-JNZMBRMSSA-N 358.438 2.094 0 40 FEAB Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)ccc1-n1cccn1 565475122 OKGPEZYMXLYQSW-SFHVURJKSA-N 373.478 2.220 0 40 FEAB O=c1cc2c(nn1CN1CCN(Cc3ccccc3)CC1)CCCCC2 72405672 SHRXTGHZKRSSFK-UHFFFAOYSA-N 352.482 2.288 0 40 FEAB COc1cccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)O)[nH]c12 514289082 NJKRKHAHORWAIH-KBPBESRZSA-N 371.437 2.463 0 40 FEAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 97756341 JZAXMDDOPNOSPW-OAHLLOKOSA-N 359.422 2.464 0 40 FEAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccnc2)CC3)cn1 96158439 CGYUFXHEWXKXJP-UHFFFAOYSA-N 353.470 2.334 0 40 FEAB CC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)CC1 96296453 ZEBUEXXQQARNIG-SFHVURJKSA-N 354.454 2.049 0 40 FEAB biogenic,in-vitro CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 257201345 AHHHTLJGWAZEBJ-ZDUSSCGKSA-N 350.426 2.490 0 40 FEAB Cc1cc(C2CCN(C(=O)COc3cccnc3)CC2)nc2ccnn12 257285259 PGHVWLQRHHPUEP-UHFFFAOYSA-N 351.410 2.218 0 40 FEAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN3CCOCC3)cn2)no1 257244242 IKMFFYBIPHXHSZ-GOSISDBHSA-N 356.426 2.188 0 40 FEAB CCN1CCN(c2nn(-c3cccc(C(F)(F)F)c3)nc2C(=O)O)CC1 256047911 PHWIJWULXUNBOO-UHFFFAOYSA-N 369.347 2.126 0 40 FEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCC1=O 250394617 GORHNYQTQWDZIW-KCQAQPDRSA-N 364.467 2.289 0 40 FEAB CCN(CC)CCOC(=O)c1ccc(N/C=C2\SC(=O)NC2=O)cc1 618254886 IMXJYPIOQPCJSK-KAMYIIQDSA-N 363.439 2.422 0 40 FEAB CS(=O)(=O)Nc1ccccc1CC(=O)N1CCCC[C@H]1c1cc[nH]n1 1117222337 DDHBYEHFVNIHML-INIZCTEOSA-N 362.455 2.078 0 40 FEAB CO[C@@H]1C[C@H](CN[C@@H](C)c2ccc3c(c2)OCO3)N(c2ccncn2)C1 1775959798 YOQAUEILVMCSGQ-NUEKZKHPSA-N 356.426 2.150 0 40 FEAB CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2c(C)nn(C)c2Cl)C1 1775957160 GNEKLZPLKUBGML-DZGCQCFKSA-N 350.850 2.445 0 40 FEAB C[C@@H]1Cn2nc(C(=O)Nc3ccc(O)nc3)cc2CN1C(=O)OC(C)(C)C 1306836039 RMDYGHSJJPNKAO-LLVKDONJSA-N 373.413 2.375 0 40 FEAB O=C(COc1cccc(Cl)c1)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093358 QVAKRCRFFLXENH-OAHLLOKOSA-N 358.772 2.093 0 40 FEAB Cc1ccnc(OC[C@H]2Cc3c(ncn3C)CN2Cc2ccc(C)o2)n1 585094732 JPAZUDTXMHAGEN-OAHLLOKOSA-N 353.426 2.426 0 40 FEAB O=C(O)CS(=C(O)N1CCOCC1)c1ccc(Br)cc1 584906160 QQEDEUPNEADHOF-UHFFFAOYSA-N 362.245 2.139 0 40 FEAB O=C(CCc1ccccc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585274075 ZUXLFPINVPCEPD-OAQYLSRUSA-N 355.434 2.288 0 40 FEAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cnccn3)C2=O)cc1 44565727 VWCWKQOWEJMJAQ-XNTDXEJSSA-N 368.418 2.251 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCc3ccccn3)n2)c1 51417809 FNUPRPCXYFMAQH-UHFFFAOYSA-N 370.434 2.177 0 40 FEAB CN(Cc1nc2ccccc2n1C)C(=O)c1cccc(OCC(=O)O)c1 675963154 GFVNNXRTEIPBQW-UHFFFAOYSA-N 353.378 2.309 0 40 FEAB Cn1cc(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)cn1 1615529358 IDCFMNCOEQQGFA-HXUWFJFHSA-N 353.470 2.277 0 40 FEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccn(CC)n1 12144938 CQQNXRSGPWRZKF-CYBMUJFWSA-N 371.466 2.397 0 40 FEAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCCCCC1 12184426 DCDGDNVCSKHYOU-UHFFFAOYSA-N 365.437 2.324 0 40 FEAB CN(C)c1ncc(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)cn1 12201654 JTQJDDFTRHNSGK-UHFFFAOYSA-N 357.433 2.076 0 40 FEAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N1CCCCC1 13265629 DRIDXAKOMIWAGF-UHFFFAOYSA-N 372.513 2.162 0 40 FEAB FC(F)(F)c1cn2c(n1)CN(Cc1nnnn1Cc1cccs1)CC2 19343852 BSPLIFBGAIIQRN-UHFFFAOYSA-N 369.376 2.014 0 40 FEAB O=C(C[C@H]1CCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406945 YRTKBHNEXJIKMG-YIYPIFLZSA-N 369.416 2.076 0 40 FEAB CC(=O)N1CCc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21 19572600 NTNUXVORVZKSIQ-UHFFFAOYSA-N 368.437 2.188 0 40 FEAB Cc1cccc(CCNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)c1 19749422 QTULLSWOEXZRMR-UHFFFAOYSA-N 363.421 2.198 0 40 FEAB Cc1ccn(CCC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)n1 19238066 VWZNWRPAPFQYBA-INIZCTEOSA-N 365.437 2.224 0 40 FEAB CCc1cc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)ncn1 1888859531 LHNPTLWVSMOSKK-UHFFFAOYSA-N 353.474 2.064 0 40 FEAB O=C(c1cnc2ccccc2n1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888906851 SIJAGAMGACYYRV-STQMWFEESA-N 351.435 2.295 0 40 FEAB COC[C@@H]1CC2(CCN(C(=O)C3(F)CC3)CC2)CN1Cc1cccnc1 1614940053 FMLGGVMGNZYRET-KRWDZBQOSA-N 361.461 2.413 0 40 FEAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 802566 PTNQZUPEVRMMDI-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB CCc1nc(SCc2ccc(C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138947 GAZDLCDLPZTJNP-UHFFFAOYSA-N 356.451 2.190 0 40 FEAB C[C@H](NC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1 9708599 MADIGQFPBKPUIB-ZDUSSCGKSA-N 363.417 2.338 0 40 FEAB O=C(C1CCCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772941 AVSLDNOGZMIDET-UHFFFAOYSA-N 358.486 2.307 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F 12377549 DSGBODYJDMNJDK-NRUUGDAUSA-N 368.258 2.098 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)C1 8217111 OQUOYMULMHVULF-CVEARBPZSA-N 358.438 2.150 0 40 FEAB O=C(NCc1cccc(N2CCOC2=O)c1)NCc1cccc2c1OCO2 50125887 DGNUOZRVHWBJDU-UHFFFAOYSA-N 369.377 2.371 0 40 FEAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c1 31722541 VXTYMCRYHVZKRC-UHFFFAOYSA-N 357.391 2.430 0 40 FEAB O=C(c1cccc(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 32667795 MYPZPSPKPIRQMC-HUUCEWRRSA-N 357.859 2.148 0 40 FEAB Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)Cc2cccs2)cc1 32803082 KHMIIVYHXFRIGE-UHFFFAOYSA-N 367.496 2.176 0 40 FEAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 33542321 DEWDBMMNZPWYTG-CMBDLQSPSA-N 369.465 2.172 0 40 FEAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)c2c(c1)OCCCO2 24075519 QOKGZCXWCUUNDW-UHFFFAOYSA-N 354.834 2.488 0 40 FEAB NC(=O)c1cc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)c[nH]1 24775272 ZCOGWLRZKCQBEQ-UHFFFAOYSA-N 364.390 2.433 0 40 FEAB Nc1nc(CN2CCN(C(=O)c3ccccc3F)CC2)nc2ccccc12 24769407 OKRHWJZWTRGYGL-UHFFFAOYSA-N 365.412 2.309 0 40 FEAB Cc1cccc(C)c1OC[C@@H](O)Cn1c(NCCO)nc2ccccc21 12506645 QOSQPBLRRFARHX-INIZCTEOSA-N 355.438 2.497 0 40 FEAB O=C(NC1CC1)[C@@H](NCc1cccc(Cn2cncn2)c1)c1ccccc1 56178624 NPWKIWJGQCWDLH-FQEVSTJZSA-N 361.449 2.436 0 40 FEAB CNC(=O)NC(NC(=O)c1cccc(OC)c1)(C(F)(F)F)C(F)(F)F 4615333 ANGFJCXZJMKCRS-UHFFFAOYSA-N 373.253 2.175 0 40 FEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(SC)c2)cc1 8158359 IUVLGLYCFKXNRS-UHFFFAOYSA-N 366.464 2.334 0 40 FEAB O=C(N[C@@H]1CN=C2CC=C(C(F)(F)F)C=[N+]2C1=O)OCc1ccccc1 59690451 UEHSFWXUQBVOOZ-CYBMUJFWSA-O 366.319 2.196 0 40 FEAB CCC(=O)Nc1ccc(S(=O)(=O)N(CCOC)[C@H]2CCSC2)cc1 58214955 OIJGNQGFGRPERD-AWEZNQCLSA-N 372.512 2.178 0 40 FEAB O=C(NCCc1nccs1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 50450773 DDBYUFBQICPSQL-NSHDSACASA-N 351.863 2.162 0 40 FEAB O=C(NCc1ccccc1)C1CCN(c2cc(=O)n3ccccc3n2)CC1 10995870 XIDGWEOTBUJGBD-UHFFFAOYSA-N 362.433 2.227 0 40 FEAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCCCN(C)C)nc4c3c2C1 2330934 XGJUACFXRVMQNI-NSHDSACASA-N 372.498 2.145 0 40 FEAB C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CC(=O)N2 47154089 WORYFOOOPWKMHR-NSHDSACASA-N 373.434 2.467 0 40 FEAB CC[C@@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 22373653 FYSUAMOKQPTVBL-CQSZACIVSA-N 374.510 2.469 0 40 FEAB COc1cc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc(OC)c1OC 12924466 JZSADRNLELOOEA-DIFFPNOSSA-N 366.439 2.105 0 40 FEAB Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O 65066668 XQMJZTPJRLSUQI-UHFFFAOYSA-N 357.435 2.080 0 40 FEAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 39984903 TVXRZAUVSBBHKW-XJKCOSOUSA-N 354.472 2.423 0 40 FEAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CC1 14094604 QAGJDBXLVGHSED-UHFFFAOYSA-N 362.426 2.295 0 40 FEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C12CC3CC(CC(C3)C1)C2 9499780 ZECOEURHUGPLBJ-RRTJRIROSA-N 373.497 2.428 0 40 FEAB Cc1ccc(-n2nnnc2SCc2nc3ccccc3c(=O)[nH]2)cc1 6506584 SEUYVWXQVVTCBX-UHFFFAOYSA-N 350.407 2.500 0 40 FEAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC[C@@H]1CCCO1 25079581 CARVHDQYRDMJMF-NSHDSACASA-N 361.467 2.091 0 40 FEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 7059330 ARXZKYXBSKCWJO-UHFFFAOYSA-N 374.462 2.359 0 40 FEAB O=C1CN(C(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2N1 22531758 DEOOZVHKPWNACD-UHFFFAOYSA-N 351.406 2.118 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)CC)cc1 7376759 XBIIBJDOZUOQAU-UHFFFAOYSA-N 362.517 2.184 0 40 FEAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C[C@H]1C=CS(=O)(=O)C1 16446921 SHYCCNDCIHQVMI-NWDGAFQWSA-N 371.842 2.467 0 40 FEAB CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H]2CCCNC2=O)cc1 69334252 DHBVOFDLUQBIOM-MRXNPFEDSA-N 372.494 2.483 0 40 FEAB CC(C)CNC(=O)c1[nH]nc2c1COC[C@]21CCN(Cc2ccoc2)C1 306123980 BCBLMDKTWKPKBN-LJQANCHMSA-N 358.442 2.062 0 40 FEAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059973 SLVNRXLXXDROGU-MRXNPFEDSA-N 364.453 2.318 0 40 FEAB Cc1ccccc1C1(CNC(=O)NCc2nnc3n2CCC3)CCOCC1 95369472 DRUJDCHJJUHWKU-UHFFFAOYSA-N 369.469 2.080 0 40 FEAB Cc1ncc2c(SCC(=O)NCc3cc(F)cc(F)c3)ncnc2n1 62006850 TUUBASMHZIKJPI-UHFFFAOYSA-N 361.377 2.415 0 40 FEAB COC(=O)C1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 61492057 VSZVSBAKMSPNDV-UHFFFAOYSA-N 354.447 2.045 0 40 FEAB CN(C)c1ccnc(NC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)n1 516429103 BGXPTUFYJDUUTQ-IBGZPJMESA-N 367.409 2.184 0 40 FEAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217497160 FLGIPDYZGQMYGX-WCQYABFASA-N 356.444 2.053 0 40 FEAB NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 32127779 NEBUBUMDCDUECU-UHFFFAOYSA-N 374.447 2.198 0 40 FEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSC1CCCC1 225509076 WHWKTNJNOVGERA-GASCZTMLSA-N 350.484 2.120 0 40 FEAB Cc1cc(C)n2nc(C)c(C(=O)NC[C@@](C)(O)c3ccc(F)cc3)c2n1 89253040 JRGNBGZRAZYJBJ-LJQANCHMSA-N 356.401 2.431 0 40 FEAB O=C(COc1ccc(Cl)c(F)c1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 571401433 JLKSSDPGBHZBOW-KGLIPLIRSA-N 361.822 2.036 0 40 FEAB O=C(Cc1csc(-n2cccc2)n1)NCCCc1nnc2ccccn12 95480207 MOEGNNKNEAVWRT-UHFFFAOYSA-N 366.450 2.268 0 40 FEAB CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ncn(CC3CC3)c21 96045130 CVPDBZACYYLFEA-HNNXBMFYSA-N 355.442 2.168 0 40 FEAB CC(C)Nc1nc2c(c(NC3CC3)n1)CCN(Cc1nccn1C)CC2 96254620 HLIVEKPUVKGMMU-UHFFFAOYSA-N 355.490 2.206 0 40 FEAB O=C1NC2(CCN(C(=O)c3ccncc3F)CC2)C[C@H]1c1ccccc1 96069532 RGQBPWIDTONGRF-INIZCTEOSA-N 353.397 2.499 0 40 FEAB O=C(Cc1ccccc1F)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108857 NEWZMBRFAHSNKU-UZLBHIALSA-N 356.397 2.317 0 40 FEAB O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)Nc1cccnc1 96208933 KTOQNUDLHFSAQW-BHIYHBOVSA-N 352.438 2.342 0 40 FEAB CN1CCN(Cc2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)C1=O 96230318 IQERMLDXBGAXPD-UHFFFAOYSA-N 367.449 2.229 0 40 FEAB Cc1c[nH]c(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 95517448 LLSDSGBNCMWQDC-INIZCTEOSA-N 350.426 2.378 0 40 FEAB COC[C@@H]1CN(Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 247866340 ITFGUXTUGAKHRV-SFHVURJKSA-N 357.498 2.487 0 40 FEAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)NCCc3cccs3)C2)no1 247939242 UBDAHAFMNJOSPX-QGZVFWFLSA-N 371.466 2.157 0 40 FEAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)nn2c1O 247951187 KLKSFMQPWISPJW-QIJZBDPFSA-N 368.437 2.313 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 250673833 OHEWRGOAIJXQLH-RDJZCZTQSA-N 358.438 2.210 0 40 FEAB O=C(CC1CCOCC1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257209687 BRMOEKQWFLSIOR-KRWDZBQOSA-N 357.454 2.397 0 40 FEAB CCCNC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257254887 KFDKJYNYNYNNIO-BJLQDIEVSA-N 361.486 2.073 0 40 FEAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(c2nc3c(F)cccc3n2C)C1 1775956939 CAKHFKLGQMXURA-RISCZKNCSA-N 356.405 2.217 0 40 FEAB COc1ccc2c(c1)[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)O)CC1)CCC2 630221210 VRDVRLGBKTXMBM-YOEHRIQHSA-N 360.454 2.123 0 40 FEAB Cc1ncn(CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c(=O)c1C 585632200 RCPVNSYPNDCOTG-UHFFFAOYSA-N 365.437 2.289 0 40 FEAB CNc1cnc(C(=O)N2CC[C@H](OC)[C@H](Cc3cccc(F)c3)C2)nc1 585278017 ZRINGNLLVSQLLC-PBHICJAKSA-N 358.417 2.377 0 40 FEAB CN(CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C)S(=O)(=O)c1cccnc1 66520485 RKIIOQACKUSWMA-HOCLYGCPSA-N 364.467 2.238 0 40 FEAB O=C(Nc1cc(F)ccc1C(=O)NCCNc1ncccn1)c1ccoc1 52776246 PMGCBFRWQLINNM-UHFFFAOYSA-N 369.356 2.303 0 40 FEAB CCNC(=O)NC(=O)[C@H](C)Nc1cccc(COC[C@@H]2CCCCO2)c1 56195158 XKVSGSZIYHOCAV-YOEHRIQHSA-N 363.458 2.418 0 40 FEAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)cc1 779222 BTJLWKPFFOCBCJ-UHFFFAOYSA-N 355.423 2.305 0 40 FEAB Cn1cnc2c(N3CCN(c4nc5ccccc5s4)CC3)ncnc21 599496227 UYBKESQNQBFPFH-UHFFFAOYSA-N 351.439 2.300 0 40 FEAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5919355 VREJMCQQECSVGS-BBRMVZONSA-N 355.394 2.009 0 40 FEAB Cc1ccn(CCCNC(=O)c2cn([C@H](C)c3ccc(F)cc3)nn2)n1 12113289 CRHQKIQOQBEYNT-CQSZACIVSA-N 356.405 2.352 0 40 FEAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCn2c(CO)nnc2C1 12183978 RTNSDEUQEGCLDZ-UHFFFAOYSA-N 352.394 2.005 0 40 FEAB COCCC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(OC)cc1)CN2C(C)=O 19019303 ANHRVVKXKSIOMQ-QWFCFKBJSA-N 360.454 2.037 0 40 FEAB Cc1cc2nc([C@@H]3CCN(C(=O)c4sc(C)nc4C)C3)cc(O)n2n1 19129811 KXEAHTAKUYEPBE-GFCCVEGCSA-N 357.439 2.446 0 40 FEAB O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 19292321 XDWWVJPQIQGTCI-QGZVFWFLSA-N 366.469 2.092 0 40 FEAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@H](Cc2ccccn2)C1=O 19695573 LLGXBQRQKRUARZ-QGZVFWFLSA-N 369.440 2.313 0 40 FEAB CNC(=S)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O 13693056 MWHDNRLCODVXNA-KRWDZBQOSA-N 365.458 2.386 0 40 FEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@H]1C 5558986 MCVJEKVBLZRASV-OCCSQVGLSA-N 352.456 2.464 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Br 14199355 DHYJLIPCAXBFMM-NXEZZACHSA-N 364.261 2.256 0 40 FEAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850010 HJAMEJFCARQCIT-HXUWFJFHSA-N 369.421 2.330 0 40 FEAB O=C(NCc1cncc2c1CCN(C(=O)c1cc[nH]c1)C2)c1ccco1 1565548054 QJXGZCYJPKROOM-UHFFFAOYSA-N 350.378 2.131 0 40 FEAB NC(=O)CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 4328271 QEDCZILZQZADNP-UHFFFAOYSA-N 362.358 2.387 0 40 FEAB Cc1cc(C)n(-c2ccc(CNC(=O)CCn3c(C)csc3=O)cn2)n1 40145601 DMIXWSNKQMEVJZ-UHFFFAOYSA-N 371.466 2.122 0 40 FEAB CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 100102717 YHSLGTJWHCAKKW-MNOVXSKESA-N 370.540 2.398 0 40 FEAB Cc1sc2ncnc(SCCC(=O)N[C@@H]3CCCNC3=O)c2c1C 50634267 VPJRTYRJOFGXFF-LLVKDONJSA-N 364.496 2.185 0 40 FEAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101281450 DJLFQOGKQHIIKW-ZBFHGGJFSA-N 370.748 2.361 0 40 FEAB O=C1O[C@@H]2OCCC[C@@H]2[C@@H]1Nc1ccc(I)cc1 103020830 RUGCJKMJTDYEOK-MDZLAQPJSA-N 359.163 2.381 0 40 FEAB CCc1ccc([C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C(C)C)cc1 22280648 VPHQRRSASOEWFU-SFHVURJKSA-N 367.453 2.206 0 40 FEAB O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCCO2 24577465 IIGFNEGOSFYSAP-UHFFFAOYSA-N 357.391 2.444 0 40 FEAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 79484325 AELHSMMXNKIJFM-GOSISDBHSA-N 372.465 2.484 0 40 FEAB Cc1nc(NC(=O)Cn2nnc3ccccc32)sc1-c1nccn1C 25143716 REPBUWDKRULIPR-UHFFFAOYSA-N 353.411 2.235 0 40 FEAB CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2F)C1=O 1406507 XRWBYGPMIPXHBK-LJQANCHMSA-N 354.337 2.392 0 40 FEAB C[C@@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccc2c(c1)OCO2 25588433 LIOQANIEWYSGFA-SNVBAGLBSA-N 374.784 2.119 0 40 FEAB C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)C(N)=O 56586140 GAIOLHPUBRGBRL-GFCCVEGCSA-N 354.435 2.230 0 40 FEAB Cn1ccnc1SCc1cc(=O)n2cc(Br)ccc2n1 6369296 HXCARYNKTQEVFS-UHFFFAOYSA-N 351.229 2.483 0 40 FEAB CC[C@H]1CCc2nc(NC(=O)CCC(=O)N3CCOCC3)sc2C1 57179230 YKHVSEZXIUDFBD-LBPRGKRZSA-N 351.472 2.236 0 40 FEAB CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1C 57851996 MYXYXOPWRAPXQL-NSHDSACASA-N 351.834 2.290 0 40 FEAB COc1ccc(-c2cnn(CC(=O)Nc3ccccc3C)c(=O)n2)cc1 44804195 GADCKDRGLHJALK-UHFFFAOYSA-N 350.378 2.261 0 40 FEAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H](C)SC)CC2)cc1 58263897 GWAYDAVDLFLQBX-CYBMUJFWSA-N 370.540 2.317 0 40 FEAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c1 9926474 LYONUWXMOQGQPY-OAHLLOKOSA-N 362.393 2.479 0 40 FEAB Cc1ncc(S(C)(=O)=O)c(N2CCOc3ccc(Cl)cc3C2)n1 95371373 GEMWFFFVPFPLLT-UHFFFAOYSA-N 353.831 2.241 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)NCCCCc2ccccc2)CC1 29334098 FSORJOPFLXGLPY-UHFFFAOYSA-N 367.515 2.123 0 40 FEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccco2)CC1 46810598 HGEDTPBNKMDCAM-UHFFFAOYSA-N 350.422 2.352 0 40 FEAB C[C@@H](CNC(=O)c1cccnc1Cl)NC(=O)c1cccnc1Cl 2750466 YTGNLOYFSVIDQD-VIFPVBQESA-N 353.209 2.332 0 40 FEAB O=C(NCCC1=CCCCC1)NC1CCN(S(=O)(=O)C2CC2)CC1 84733329 PSDFXOWDYNDOPX-UHFFFAOYSA-N 355.504 2.133 0 40 FEAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cn1 61718235 JODQJUWTZALGIO-UHFFFAOYSA-N 354.341 2.092 0 40 FEAB CCCCc1nnc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 12694084 AUENMZYOBDNCJV-VXGBXAGGSA-N 362.455 2.161 0 40 FEAB CCCCn1c(SCCCNS(C)(=O)=O)nc2ccccc2c1=O 48287640 ARSHSZJWGGQNII-UHFFFAOYSA-N 369.512 2.228 0 40 FEAB CSCC(=O)N1CCC2(CC1)CC(=O)N(Cc1csc(C)n1)C2 108530359 YUYYRRMCPYYODH-UHFFFAOYSA-N 353.513 2.156 0 40 FEAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)n1N 3361771 YJYRNMWFJUGBJF-UHFFFAOYSA-N 355.423 2.398 0 40 FEAB Cc1cc(S(=O)(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c(C)s1 95458975 KZLFTBLNYVZJEQ-AWEZNQCLSA-N 369.512 2.477 0 40 FEAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(N(C)C)cc1 3408665 IXRBJROWHDXLID-GFCCVEGCSA-N 370.409 2.427 0 40 FEAB O=C1C[C@@H](N2CCCC2)C(=O)N1c1ccc(I)cc1 20100682 COINOCBRBWPWPU-GFCCVEGCSA-N 370.190 2.019 0 40 FEAB O=C(COc1ccccc1F)NC[C@H](c1cccs1)N1CCOCC1 12945102 ROZCEUSUUTZZJV-OAHLLOKOSA-N 364.442 2.456 0 40 FEAB CCOC(=O)Cc1nc(CCNc2ccc(OCC)c(OCC)c2)n[nH]1 64873705 BVYNGFONFVDLII-UHFFFAOYSA-N 362.430 2.362 0 40 FEAB O=C(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccco1 9255793 DUTCBHLRIBWIFP-CQSZACIVSA-N 356.378 2.144 0 40 FEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCC(C)CC1 4064099 JBWJFODCIZATJF-IBGZPJMESA-N 369.465 2.326 0 40 FEAB biogenic Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@](C)(COc1ccccc1)C(=O)O 95424637 KKRGTWRCILHAOR-BUXKBTBVSA-N 359.426 2.179 0 40 FEAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@H](C(=O)O)C3)ccc12 13623800 SWLDTKKVCXKXIK-ZDUSSCGKSA-N 359.378 2.112 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 6286889 VOXDYXSHWRNPOI-UHFFFAOYSA-N 363.464 2.064 0 40 FEAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 5274322 QGIOSNKSAGNDTM-ZDUSSCGKSA-N 356.451 2.038 0 40 FEAB Cc1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccccc2)cc1C 4499989 BMCGXXMGBMFLPA-UHFFFAOYSA-N 371.422 2.475 0 40 FEAB C/C=C/c1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 14094547 SELLGNPHXNWAGF-HWKANZROSA-N 368.437 2.246 0 40 FEAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 5351183 VABQQEZQCVSIKW-YJXLLHPSSA-N 369.465 2.252 0 40 FEAB COC(=O)C1(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CCCCC1 14187922 NQTQSTPMKSUNTE-UHFFFAOYSA-N 372.421 2.055 0 40 FEAB NC(=O)c1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 14199418 WCOKFHXMDNHANZ-UHFFFAOYSA-N 353.422 2.342 0 40 FEAB CCOc1ncccc1C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1 14820698 AIXSKUFWMQFGHJ-UHFFFAOYSA-N 352.394 2.379 0 40 FEAB CN(C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)c1ccccc1 7131252 SIVZDHYXAUTWCR-LJQANCHMSA-N 373.359 2.395 0 40 FEAB Cc1ccc(C(=O)NCCOCc2ccccc2)cc1NS(C)(=O)=O 177046543 FYMAFBHARFPXRB-UHFFFAOYSA-N 362.451 2.313 0 40 FEAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H](C(N)=O)C3)ccc2c1 7447315 KQBALYISJKLSDH-SFHVURJKSA-N 369.465 2.004 0 40 FEAB COC(=O)c1ccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)cc1 7639706 PBYOMIQUIHTZMF-UHFFFAOYSA-N 356.378 2.272 0 40 FEAB Cc1ccc(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(Br)c1 8328552 HKHWASDGIDMPAD-CYBMUJFWSA-N 354.248 2.036 0 40 FEAB CCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)N(C)C 89949404 KCROAUUSEJGMKV-LJQANCHMSA-N 374.529 2.062 0 40 FEAB CC(C)n1cnc([C@@H]2CN(C)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139423 SWWRQOKGUXRSJE-PXNSSMCTSA-N 353.470 2.307 0 40 FEAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 28051418 BWNFKJPKDJMYPT-UHFFFAOYSA-N 358.463 2.071 0 40 FEAB Cc1cc(Br)cnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 301515221 CMGXKVMXFRSZPT-ZDUSSCGKSA-N 368.275 2.228 0 40 FEAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nnnn1C(C)(C)C 35313263 QMQLVTPAXOKWTP-GOOCMWNKSA-N 362.522 2.476 0 40 FEAB O=C1Cc2ccc(CC(=O)N3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)cc2N1 183873306 ZPBCXBWBCPGOBT-KSSFIOAISA-N 372.371 2.336 0 40 FEAB O=C1C[C@@H](c2cccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c2)CN1 533399026 XTNQAUCGQIOLMZ-MLGOLLRUSA-N 367.380 2.494 0 40 FEAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217421087 DVGQEFXCXVFCRI-CYBMUJFWSA-N 356.444 2.054 0 40 FEAB Cc1nn(C[C@H](C)C(=O)NCCCn2ccnc2)c(C)c1Br 32501810 JRQMQLLYLBIHFX-NSHDSACASA-N 368.279 2.302 0 40 FEAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(N)=O)C(=O)N1CC2 72342033 WLVGPHRXWRPEDQ-IBGZPJMESA-N 367.405 2.077 0 40 FEAB O=C1CC[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)[C@H](c2ccccc2)N1 560867996 LINYJWCFAYYPSI-YGRLFVJLSA-N 352.316 2.178 0 40 FEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cnc3ccccn3c2=O)c1 40039691 OSOOVRLGMCOLHR-LBPRGKRZSA-N 353.378 2.203 0 40 FEAB O=C(Nc1nncs1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71283038 ZZTRYUMGBBZBOY-UHFFFAOYSA-N 372.859 2.374 0 40 FEAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 225775605 CQOMPMHRBZRFRW-HDEZJCGLSA-N 352.394 2.178 0 40 FEAB Cn1nc(C(=O)NCc2cccnc2)c(F)c1NC(=O)c1ccccc1 41070575 KOLKGOCODVIQGE-UHFFFAOYSA-N 353.357 2.137 0 40 FEAB CC[C@@H](C)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225740585 WCNCFKAMFUNYIU-CQSZACIVSA-N 368.499 2.327 0 40 FEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC[C@H](C)c2ccccc2)s1 225138152 NLFUIMDAQJLHRC-NSHDSACASA-N 368.484 2.215 0 40 FEAB Cc1ccc(N2CC[C@@]3(CN(C(=O)NC4CC4)CCC3(F)F)C2)nn1 96239773 ASWFVEODTYMWQZ-INIZCTEOSA-N 351.401 2.195 0 40 FEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1 242416808 BHTBUKNOBLWRGI-UHFFFAOYSA-N 352.843 2.422 0 40 FEAB O=C([C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 247805368 AQAJMVJZTZUKHI-IBGZPJMESA-N 370.453 2.011 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@H](CC(=O)NCC3CCOCC3)C2)o1 248069106 FTRLBYAWHAJBPQ-GOSISDBHSA-N 372.469 2.274 0 40 FEAB CNC(=O)CN1CCC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 257268909 MNTINGBTAFNWCH-ZDUSSCGKSA-N 360.487 2.219 0 40 FEAB O=C(O)CC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 262434816 MZWWIWTXJYLKPI-UHFFFAOYSA-N 373.236 2.437 0 40 FEAB Cc1scc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1C 280388271 UQFBBAUANITFSB-KBPBESRZSA-N 350.463 2.441 0 40 FEAB COc1ccc2c(ccn2CC(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)c1 1775957521 YUNBRPHWNMKRJC-DOTOQJQBSA-N 370.409 2.330 0 40 FEAB O=C(O)[C@@H]1CCCN(C(=O)c2cc3c(cc2Br)OCO3)C1 621532428 BDJOUTQPOPOSEK-MRVPVSSYSA-N 356.172 2.115 0 40 FEAB O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1C[C@@H]1CCCO[C@H]1c1cn[nH]c1 629495924 WNMGWQQABPHEIJ-NOYHWAJDSA-N 358.442 2.473 0 40 FEAB O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(C(=O)O)nc1 653307249 HCGAYSIRHKZLRF-UHFFFAOYSA-N 369.421 2.236 0 40 FEAB COc1ccccc1[C@H]1CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 654639922 XYYVSUOQHPABAR-BBRMVZONSA-N 371.441 2.364 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc(-n4ccc(O)n4)cc3)C2)no1 1219675804 NDULISNHMZQKDT-LBPRGKRZSA-N 354.370 2.291 0 40 FEAB CN1CCC(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 585111920 JGBJXUBMYODUNJ-LJQANCHMSA-N 368.481 2.003 0 40 FEAB CNc1cc(C(=O)N2CC[C@@](COc3ccccc3C)(OC)C2)ccn1 585278007 ZOYRSXOWCONQKV-HXUWFJFHSA-N 355.438 2.742 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@H](O)C2)C3)cc1 585103582 HNEUMEMGYIVLCC-OALUTQOASA-N 358.482 2.073 0 40 FEAB O=C(c1ccc(O)nn1)N1CCN(c2cccc(Cl)c2Cl)CC1 585176277 KVNUQGSUKPYLIY-UHFFFAOYSA-N 353.209 2.451 0 40 FEAB O=C1OC2(CN(Cc3nccs3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162039 MIMAWYZZDNXGOB-MRXNPFEDSA-N 370.478 2.034 0 40 FEAB Cc1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615118424 CDNQASKQLWFKJT-OAQYLSRUSA-N 365.433 2.428 0 40 FEAB CCn1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)n[nH]2)c(C)n1 12144683 FHRPYDGBIJLHIP-OAHLLOKOSA-N 351.414 2.369 0 40 FEAB Cc1ccc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cn1 12223145 GOTNNPSTMQDBGX-UHFFFAOYSA-N 350.422 2.407 0 40 FEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3cnn(C)c3C)cc2n1 12337803 JSPHWLDJRUIABE-HNNXBMFYSA-N 354.414 2.153 0 40 FEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(F)cc2)c1 14140291 OSWNLUUZIQZBQI-UHFFFAOYSA-N 350.415 2.362 0 40 FEAB CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 19018340 KSBHSESOJSXORE-DLBZAZTESA-N 368.481 2.444 0 40 FEAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CN1CCOCC1 19288481 RLXUYDVKRCTESJ-JSRAGOMMSA-N 374.440 2.168 0 40 FEAB COc1cccc(Cn2cc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cn2)c1 19659542 IUYUNINMIYEPIC-HNNXBMFYSA-N 356.426 2.135 0 40 FEAB CN(C)c1ncc(-c2cncn2CCc2ccc3c(c2)OCCO3)cn1 19719331 PHTRMPZLTMNIMI-UHFFFAOYSA-N 351.410 2.420 0 40 FEAB COc1cc(CC(=O)NCCc2csc(C)n2)cc(OC)c1OC 22527109 QWSBURCDFUYTSI-UHFFFAOYSA-N 350.440 2.379 0 40 FEAB CCc1nc(N2C[C@@H]3CN(C(=O)Cc4ccccc4)C[C@H]3C2)nc(O)c1F 1888875696 FIECHJPEKWKVEK-GJZGRUSLSA-N 370.428 2.021 0 40 FEAB Cc1csc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)c1 2055759254 CPDSMNJEUJWHTI-BDJLRTHQSA-N 370.421 2.059 0 40 FEAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2ccccn2)CC1 2055713687 YTWVSVUREHNOCQ-UHFFFAOYSA-N 365.437 2.179 0 40 FEAB CCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907280 OCKXDFUNLSQWBR-QGZVFWFLSA-N 355.438 2.021 0 40 FEAB COc1ccc(Br)c(C(=O)NCCOCCn2cccn2)c1 575619761 NAJVLVRYMBBWLC-UHFFFAOYSA-N 368.231 2.101 0 40 FEAB CN1CCc2cc([C@H](O)CNS(=O)(=O)/C=C/c3ccccc3)ccc21 96362614 MSXWTAXAUKQDLA-FMAYLGMYSA-N 358.463 2.303 0 40 FEAB O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(CN2C(=O)CNC2=O)c1 40043330 GUDFDVHPCDIFSJ-UHFFFAOYSA-N 367.449 2.293 0 40 FEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 40135690 LFRJIDRXGURCIZ-GDBMZVCRSA-N 373.497 2.216 0 40 FEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]1 31257615 PGJDLZDAEVLHFK-MRXNPFEDSA-N 369.421 2.064 0 40 FEAB CN1CCc2c(sc3c2c(NCc2ccccc2)nc2nnnn23)C1 20533277 ZYSLLJWEPSBDGI-UHFFFAOYSA-N 351.439 2.334 0 40 FEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 32754264 WNBXQOZCOHLJFJ-CZUORRHYSA-N 351.403 2.177 0 40 FEAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 42081017 YWZBRRKSVFOQPZ-CABCVRRESA-N 370.419 2.441 0 40 FEAB O=C(CCn1nnc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 22601872 DVEVMEDQCOOSLZ-UHFFFAOYSA-N 373.416 2.248 0 40 FEAB C[C@@H](NC(=O)N1CCc2ccccc2C1)c1cccc(S(N)(=O)=O)c1 54073664 RYLCOJLJSMDMSZ-CYBMUJFWSA-N 359.451 2.163 0 40 FEAB O=C(NCc1cccc2c1OCO2)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 54140419 IXOXEUZJROCHGV-ZDUSSCGKSA-N 374.343 2.363 0 40 FEAB C[C@@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2Cl)CC1 54360198 WYXOWOJXDOYOQW-INIZCTEOSA-N 365.905 2.347 0 40 FEAB S=C(NC[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 1325576 VOVMPJCXEXIJRJ-ZDUSSCGKSA-N 362.524 2.472 0 40 FEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1 57074267 PGPXREVWFPYQIC-UHFFFAOYSA-N 356.407 2.033 0 40 FEAB COC(=O)Nc1cccc(NC(=O)NCc2ccc(-n3cncn3)nc2)c1 58050355 BJUOGNHLVVVFPO-UHFFFAOYSA-N 367.369 2.162 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208078 VFTODXXWVPNMLC-UHFFFAOYSA-N 362.879 2.276 0 40 FEAB CCNC(=O)CN1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 58266692 PRUDMBQSYAMTGH-UHFFFAOYSA-N 363.845 2.370 0 40 FEAB CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccccc2)o1 2229442 YVWSVSBXXHDEQZ-UHFFFAOYSA-N 367.427 2.111 0 40 FEAB COCCn1nc(C)c(CNC(=O)c2cc3ccccc3oc2=O)c1C 89520824 WLMMSVDZZKDOSA-UHFFFAOYSA-N 355.394 2.183 0 40 FEAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12737369 VCBHLUNAGWEOOW-AWEZNQCLSA-N 350.484 2.054 0 40 FEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccc(F)cc1 12859114 MPQBBVNQABMGON-FQEVSTJZSA-N 367.380 2.051 0 40 FEAB COC(=O)c1ccc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1 3555966 DPDPEHXWNAWECP-UHFFFAOYSA-N 351.362 2.281 0 40 FEAB O=C(COc1cccc(-n2cnnn2)c1)N1CCCc2cccc(F)c21 12916644 XTXZMHYNTJWWAT-UHFFFAOYSA-N 353.357 2.160 0 40 FEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1cccs1 9337065 FAUAIFATLAZSHY-GHMZBOCLSA-N 363.464 2.053 0 40 FEAB O=C(CN1CCSC1=O)Nc1ccc(I)cc1 5108867 DDPCAFZANYKRPT-UHFFFAOYSA-N 362.192 2.399 0 40 FEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CC=CCC1 6291102 PDUXHOFSDDOUHR-VIFPVBQESA-N 353.396 2.303 0 40 FEAB NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 5399705 UYPDMLROQBGBGC-UHFFFAOYSA-N 357.439 2.320 0 40 FEAB COC[C@H](O)CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 6624528 VDGLPHILYJUVAL-CYBMUJFWSA-N 373.405 2.130 0 40 FEAB biogenic C[C@H]1C[C@@H](C)CN(C(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)C1 4721839 JLCANQGLAATBTK-HDICACEKSA-N 372.513 2.405 0 40 FEAB COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1 6818882 PHCHUTPHPRJWKD-UHFFFAOYSA-N 363.439 2.071 0 40 FEAB CN1CCN(C(=S)SCC(=O)Nc2cc(Cl)ccc2O)CC1 19850351 IUGUUZQGEVMXKQ-UHFFFAOYSA-N 359.904 2.250 0 40 FEAB CC(C)(C)NC(=O)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 6986555 SJOVUEBNNMYDGX-UHFFFAOYSA-N 364.833 2.354 0 40 FEAB O=C1CN(C(=O)CCC(=O)N[C@H]2C[C@H]2c2ccccc2)c2ccccc2N1 67504383 SBJMWMUFJWCYJX-RDJZCZTQSA-N 363.417 2.424 0 40 FEAB COc1ccccc1N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 22386297 BRGIHQZHWSBRNB-KRWDZBQOSA-N 360.429 2.396 0 40 FEAB CNC(=O)[C@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)c1ccccc1 69566308 JEZZGPGZQDVHGZ-AZUAARDMSA-N 351.450 2.079 0 40 FEAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccnn3C(C)C)CC2=O)cc1 72083454 NLTDCYDRUBPDQN-HNNXBMFYSA-N 356.426 2.460 0 40 FEAB CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)CCCOC)cc1 95958342 WEOLXYWOOLBXIU-MRXNPFEDSA-N 366.483 2.095 0 40 FEAB C[C@H](C(=O)/N=c1/sccn1Cc1ccccc1Cl)S(C)(=O)=O 97127754 OYEPXKLPVQTYRA-LGMFZICMSA-N 358.872 2.112 0 40 FEAB NC(=O)c1cc(Cl)nnc1N1CCC[C@@H](n2nccc2C(F)(F)F)C1 95994815 MFLUBXKCCFGUTH-MRVPVSSYSA-N 374.754 2.286 0 40 FEAB COc1cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)cc(OC)c1 21110503 AUWVICWJPXWVAK-LBPRGKRZSA-N 357.410 2.024 0 40 FEAB CC[C@@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 114604109 NZWCXMKHKYFZHF-LSDHHAIUSA-N 359.392 2.350 0 40 FEAB Nc1cc(-c2cncnc2[C@H]2CN(C(=O)c3ccccc3)CCO2)ccn1 72370836 QNAZWXSAYCUBLT-QGZVFWFLSA-N 361.405 2.335 0 40 FEAB COC(=O)[C@H]1CN(C(=O)Cc2ccc(O)cc2)C[C@@H]1c1ccc(F)cc1 72346711 IMMWMXXYEDMSJV-MSOLQXFVSA-N 357.381 2.489 0 40 FEAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 72360910 GLCFODNCUNIUDX-OAHLLOKOSA-N 354.458 2.157 0 40 FEAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 32995911 IYANEWKZCWUNRN-GOSISDBHSA-N 366.377 2.439 0 40 FEAB COC(=O)c1c(SCC(=O)Nc2c(C)cccc2C)nc(=O)[nH]c1C 31618463 DWUOAVKMQRFSHG-UHFFFAOYSA-N 361.423 2.213 0 40 FEAB Cc1cc(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)n2ncnc2n1 35310999 HYSQKKMJPVONJO-HNNXBMFYSA-N 368.416 2.105 0 40 FEAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1nncs1 72402796 GFCOAWRAMMLQTL-UHFFFAOYSA-N 356.407 2.226 0 40 FEAB C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919148 QMSYNJZOWXEGHN-INIZCTEOSA-N 372.440 2.284 0 40 FEAB Cc1cc(CNC(=O)C(C)(C)Oc2ccn(-c3ccccc3)n2)nn1C 227159971 ICXJQTDASKHSTN-UHFFFAOYSA-N 353.426 2.388 0 40 FEAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 47978010 UICSUXWWHGAWRM-LBPRGKRZSA-N 359.817 2.084 0 40 FEAB COc1cccc(N(CCCC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225226954 PYBQYAIYMBPFAZ-AWEZNQCLSA-N 356.488 2.402 0 40 FEAB Cc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)nn1 96229183 AEYXNFRLGARBDQ-HXUWFJFHSA-N 353.470 2.299 0 40 FEAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1ccccc1F)CC2 96255915 VTXZQQKKYZUGLW-UHFFFAOYSA-N 366.400 2.160 0 40 FEAB O=S(=O)(c1cccs1)N1Cc2nc(CN3CCCCC3)oc2C1 96260269 JCLHCOULFYAUSK-UHFFFAOYSA-N 353.469 2.427 0 40 FEAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)NC1CCCC1)C2 96237872 XJTRPDHWSUGUCT-FQEVSTJZSA-N 356.470 2.062 0 40 FEAB Cc1cc(CN2CC[C@@]3(CN(C)C[C@@H]3COCc3cccnc3)C2)no1 96215825 SKKVOYABAZXWST-UYAOXDASSA-N 356.470 2.349 0 40 FEAB O=S(=O)(C[C@H]1CCOC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 246744735 RHFXPEIWGXKDOF-RDJZCZTQSA-N 357.447 2.173 0 40 FEAB O=C(c1cscn1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247884061 WKONWFBLCPUAPW-SNVBAGLBSA-N 351.428 2.456 0 40 FEAB Cc1noc(C)c1S(=O)(=O)NCCc1nc(-c2cccs2)cn1C 85471220 AWNRWUPCPJYYEW-UHFFFAOYSA-N 366.468 2.274 0 40 FEAB Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)cn1 257342293 ZOABRSGOPXXAKE-OAQYLSRUSA-N 351.450 2.025 0 40 FEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257237068 HFARNWFPOPBTNW-KRWDZBQOSA-N 358.467 2.389 0 40 FEAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cc2ccsc2)C1 257288946 PWJQECNXVSFOAX-IBGZPJMESA-N 359.495 2.171 0 40 FEAB CCCc1ccc(S(=O)(=O)N2CC[C@]3(COCc4cncnc43)C2)cc1 253607572 JVVUSRPRGUWJOZ-LJQANCHMSA-N 373.478 2.292 0 40 FEAB CC(C)(C)C(=O)N1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 253409286 ZYLZTMAPUVADLX-KRWDZBQOSA-N 357.498 2.480 0 40 FEAB biogenic,in-vitro Cc1cc(CC[C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)ncn1 257218956 DEZXAEKEKWOWHI-GOSISDBHSA-N 359.401 2.163 0 40 FEAB Cc1nccn1CCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1 257212558 CDYHTABRCRBXPU-UHFFFAOYSA-N 366.469 2.259 0 40 FEAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257199906 ABFDOSFAQUJTDK-CQSZACIVSA-N 360.435 2.271 0 40 FEAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC[C@H]2CCCO2)n1 260717672 OYJAPHZIVGSNHZ-CHWSQXEVSA-N 365.503 2.329 0 40 FEAB O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 621424831 HWLWQRAUFNDWSI-KLHDSHLOSA-N 363.408 2.488 0 40 FEAB O=C([C@H]1CCCCN1C(=O)c1ccc2ccncc2c1)N1CCOCC1 649680106 OIUVPRJYRYKENJ-GOSISDBHSA-N 353.422 2.088 0 40 FEAB O=C(NC1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1)c1cnccn1 585103707 FMCXNAJMLYXJGH-UHFFFAOYSA-N 368.412 2.431 0 40 FEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 36394894 KFIIHEGOYFGAAU-GOSISDBHSA-N 364.449 2.244 0 40 FEAB C[C@@H](NC(=O)N1CCC[C@@H]1CN1CCCC1)C(=O)N1CCc2ccccc21 83927590 LBRPZIHSAFXTEH-SJLPKXTDSA-N 370.497 2.234 0 40 FEAB O=C(CN1CCCS1(=O)=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 108287999 WVTQSPIXJUCSME-KRWDZBQOSA-N 361.467 2.257 0 40 FEAB O=C1CO[C@@]2(CCCN(CC3CCOCC3)C2)CN1c1cccc(F)c1 1615124979 YMXIFAIAQHSRKB-HXUWFJFHSA-N 362.445 2.450 0 40 FEAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3cc(C)no3)n2)cc1 12144969 IGFREABITIMVCE-ZDUSSCGKSA-N 368.393 2.034 0 40 FEAB COc1ccc(CC(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1C 12221492 FZPVMHSPUDDZMT-UHFFFAOYSA-N 357.454 2.105 0 40 FEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C 13679836 VYDWXIRVRDOPGR-ZENOOKHLSA-N 366.483 2.300 0 40 FEAB C[C@@H](O)CNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19456425 FKWHENWWZVBYEA-CJNGLKHVSA-N 364.417 2.003 0 40 FEAB O=C(c1cnc(C2CC2)nc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 1848354170 HGEOOOPZSBTJJS-VNQPRFMTSA-N 350.426 2.107 0 40 FEAB COc1ccc(O)c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 19357436 KRYQKFVZRZJELB-UHFFFAOYSA-N 360.753 2.419 0 40 FEAB CSc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 10924474 NVDFVGUPYVRRTI-UHFFFAOYSA-N 369.468 2.273 0 40 FEAB O=C(COc1ccccc1Cl)NCCn1cc(Br)cn1 28245202 CAVZQJHMOXQIAR-UHFFFAOYSA-N 358.623 2.494 0 40 FEAB COCCN1CCCC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1=O 1565544559 MXSXCWJUHIKXRA-UHFFFAOYSA-N 361.442 2.043 0 40 FEAB CCc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940705 QARWFAAJWQSQSP-LBPRGKRZSA-N 358.419 2.421 0 40 FEAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1nccs1 16980859 IDRPWVREASPTTN-UHFFFAOYSA-N 372.454 2.217 0 40 FEAB O=C(COc1ccc(Cl)cc1)NCc1nnnn1-c1ccc(F)cc1 17169456 SSXWNCJILJOUKI-UHFFFAOYSA-N 361.764 2.150 0 40 FEAB COCc1ccc(C(=O)N2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)cc1 2055772128 ZOOKAOIIAIXDAH-GVDBMIGSSA-N 356.426 2.252 0 40 FEAB CCc1nnc(C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)s1 2086861354 GHGFIIKWMUGXIP-UHFFFAOYSA-N 362.480 2.429 0 40 FEAB CCSc1nnc(NC(=O)c2nnn(-c3nccs3)c2C)s1 49032407 PVJKHEVTHXTFDP-UHFFFAOYSA-N 353.458 2.248 0 40 FEAB O=S(=O)(c1cccc2ccccc12)N1CC[C@H](Oc2ccncn2)C1 575613728 SNRPHNJJMIOXBX-HNNXBMFYSA-N 355.419 2.472 0 40 FEAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612669 LPBRXIUAVNZNHN-ZDUSSCGKSA-N 371.784 2.474 0 40 FEAB O=C1NCCC[C@H]1N1CCc2nc3ncc(Br)cc3cc2C1 2298049600 UZXDCGRZGNFBEF-CQSZACIVSA-N 361.243 2.029 0 40 FEAB COc1cc(NC(=O)/C=C/c2csc(C)n2)ccc1NS(C)(=O)=O 40081393 NMECOYFLCGCZSZ-FNORWQNLSA-N 367.452 2.484 0 40 FEAB O=S(=O)(NCc1cccnc1-n1cncn1)c1ccc2c(c1)CCCC2 40105124 AUXOSPLEAZRODR-UHFFFAOYSA-N 369.450 2.020 0 40 FEAB CCN(C(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)C1CC1 40120340 AAKHHOJKBDPJQL-LJQANCHMSA-N 355.482 2.047 0 40 FEAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 20760026 AWHPNYAGIMEFHG-UHFFFAOYSA-N 361.445 2.497 0 40 FEAB CCOc1cc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C(C)C 41096458 HZACPCIZZPVHDR-UHFFFAOYSA-N 368.499 2.370 0 40 FEAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 32826442 OMYKKTTXSGFTIH-ZDUSSCGKSA-N 354.385 2.295 0 40 FEAB CC(=O)c1ccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 32854298 OBIQTUXSGNXYAD-OAHLLOKOSA-N 356.353 2.178 0 40 FEAB O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)N[C@H]1CCCc2ccccc21 52929532 FJQHNQMZQRWMAE-ICSRJNTNSA-N 369.509 2.418 0 40 FEAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@H]2CCCCNC2=O)CC1=O 42476688 YNZVIYHCJQTTCZ-YQQAZPJKSA-N 371.481 2.338 0 40 FEAB O=C(CCn1cnc2sccc2c1=O)NC[C@H]1COc2ccccc2C1 54689040 CLGTWVWGSCJDON-ZDUSSCGKSA-N 369.446 2.216 0 40 FEAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 2617465 CQMLTDWQMMHIIN-UHFFFAOYSA-N 367.810 2.272 0 40 FEAB COC(=O)C1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 2645369 QLMLLBBUAFRQIB-UHFFFAOYSA-N 374.466 2.284 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc3c2CCCC3)cc1 3325639 PHLAHZIXMWDLPY-UHFFFAOYSA-N 364.492 2.247 0 40 FEAB C[C@@]1(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1(Cl)Cl 3391930 PAYVHUWWLNJFAU-AWEZNQCLSA-N 360.193 2.159 0 40 FEAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 3487609 OLNNWBFKDOJASH-LBPRGKRZSA-N 368.231 2.354 0 40 FEAB O=C(COc1ccc2ccc(=O)oc2c1)NCC(=O)Nc1ccc(F)cc1 3493860 SREHABGZSLKSME-UHFFFAOYSA-N 370.336 2.066 0 40 FEAB COC(=O)c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4043259 LDPLLYGJCSMNAC-INIZCTEOSA-N 356.378 2.379 0 40 FEAB biogenic Cc1nc2nc(S(=O)(=O)NCc3ccc(Cl)cc3)nn2c(C)c1C 4593953 YIZXQLFWUVUUPJ-UHFFFAOYSA-N 365.846 2.181 0 40 FEAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)cc1 4852329 BSIWUSMGHXZKSE-UHFFFAOYSA-N 369.356 2.087 0 40 FEAB O=C1c2ccccc2C(=O)N1CCSc1nnnn1-c1cccc(F)c1 5219915 DVBHGMPPXUKMEL-UHFFFAOYSA-N 369.381 2.190 0 40 FEAB COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 5251327 HGJLUSLBGINJTQ-UHFFFAOYSA-N 367.405 2.483 0 40 FEAB COc1ccccc1CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 5279242 SJMYLGJKAWESFG-ZDUSSCGKSA-N 374.462 2.336 0 40 FEAB COC(=O)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 5422901 YZHHUPGBTDACEY-UHFFFAOYSA-N 373.409 2.009 0 40 FEAB Cc1c(C)n(CCCN2CCOCC2)c2ncn(Cc3ccco3)c(=N)c12 6669645 DFRBTOBAKRQVIA-UHFFFAOYSA-N 369.469 2.298 0 40 FEAB CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cccc(-n2cccc2)c1)C(=O)OC 7105806 BODOYARQHVEMRZ-KBXCAEBGSA-N 372.421 2.338 0 40 FEAB COc1cccc(CC(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)c1 7682361 SLROPPMSBBKROE-IBGZPJMESA-N 369.417 2.097 0 40 FEAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC(N)=O 7790650 MJDQYMSMKQTGHP-SECBINFHSA-N 370.438 2.437 0 40 FEAB CN1C(=O)N[C@H](c2ccccc2)[C@@H](C(=O)C(F)(F)F)[C@]1(O)C(F)(F)F 8986717 ZGPMFRXWYBVRBN-SBMIAAHKSA-N 370.249 2.381 0 40 FEAB Cc1nc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)sc1C 9337597 GBVVIYNRMOBUCZ-UHFFFAOYSA-N 351.453 2.453 0 40 FEAB Cc1cccc(C(=O)NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 9691130 HRSKQSVNLGOERX-UHFFFAOYSA-N 373.840 2.442 0 40 FEAB CS(=O)(=O)Nc1cccc(CNC(=O)NCCc2cccs2)c1 10356298 ANEDPIDSCQKGEA-UHFFFAOYSA-N 353.469 2.162 0 40 FEAB Cc1cc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)n(C)n1 10685600 WOSWQNSPBQGIDV-UHFFFAOYSA-N 357.443 2.052 0 40 FEAB COc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)cc1OC 10885769 QGVPZHOEJHMJQK-UHFFFAOYSA-N 360.435 2.080 0 40 FEAB COc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10910929 GKGWCFANTJBSMF-UHFFFAOYSA-N 368.311 2.226 0 40 FEAB O=C(C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)N1CCCCCC1 12694605 FFNSMUCLAWQRTL-QZTJIDSGSA-N 373.497 2.010 0 40 FEAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12938585 VLLINYXXNJBNMV-GFCCVEGCSA-N 374.890 2.279 0 40 FEAB Brc1cncc(-c2nn3c(-c4cnccn4)nnc3s2)c1 13692983 SPYVXVWXTDFCET-UHFFFAOYSA-N 360.200 2.467 0 40 FEAB CC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 14806094 SZDWQPYGJGHGHK-UHFFFAOYSA-N 351.255 2.283 0 40 FEAB CCc1ccccc1NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C 15673584 LGAUVUWDTBQXNW-UHFFFAOYSA-N 359.407 2.344 0 40 FEAB NCCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 19348032 FNBCIOCRBZQVDU-HNNXBMFYSA-N 367.428 2.088 0 40 FEAB CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1 19453019 PRWHEKCEIOKPQO-AWEZNQCLSA-N 371.441 2.060 0 40 FEAB C[C@H](C(=O)N1CCC[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21)c1ccccc1 19459325 ZNXOLEXJDWDHGD-VDZJLULYSA-N 366.465 2.287 0 40 FEAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCCC2)Oc2ccccc21 20035545 MTSINJSCKIJTHR-INIZCTEOSA-N 352.456 2.053 0 40 FEAB COc1ccc(NS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1 20854387 TXDKJZAREABXAW-UHFFFAOYSA-N 365.436 2.182 0 40 FEAB CCN1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22031230 RUPVYMQJJNOVBW-AWEZNQCLSA-N 361.446 2.362 0 40 FEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)c1C 23078510 KUDVMVOZFFTMKQ-FXAWDEMLSA-N 373.522 2.406 0 40 FEAB Cc1ccc(OCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1 23731148 BMXMQQKMMGIFQG-FQEVSTJZSA-N 367.405 2.181 0 40 FEAB COc1ccc([C@H]2CCCN2C(=O)CSc2nnnn2C2CC2)cc1 23884893 CVKQCDZHDKHBPB-OAHLLOKOSA-N 359.455 2.472 0 40 FEAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(Cc2ccccc2)CC1 25507760 GJLULJIQVCYPGX-VQIMIIECSA-N 357.498 2.054 0 40 FEAB CCN(CC)[C@@H](CNC(=O)c1nc2nccc(C)n2n1)c1ccccc1 27087532 FCOATCGGUPCLBR-INIZCTEOSA-N 352.442 2.246 0 40 FEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 29654714 NLOGXMJRUTZCBU-UHFFFAOYSA-N 352.390 2.322 0 40 FEAB O=C(Cn1nc(O)c2ccccc2c1=O)N(Cc1cccs1)C1CC1 31942721 OKKQFHOKZZIVBW-UHFFFAOYSA-N 355.419 2.355 0 40 FEAB COc1cc(NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)cc(OC)c1 32873991 YDVBFQTZAVHLCG-ZDUSSCGKSA-N 364.427 2.404 0 40 FEAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O 34164362 QRMYFVCKXAQEDN-SOXBMFEASA-N 372.417 2.418 0 40 FEAB Cc1ccn(C[C@H](C)CNC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616349 PZISGDSTPUOIFM-GFCCVEGCSA-N 352.442 2.417 0 40 FEAB COc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)ccn1 36661943 MJORIXBNUTWURO-KRWDZBQOSA-N 353.422 2.064 0 40 FEAB Cc1nc(NC(=O)COc2ccc3c(c2)C(=O)CC3)sc1C(=O)N(C)C 36708215 QTMJWWADCFTBFP-UHFFFAOYSA-N 373.434 2.300 0 40 FEAB COc1ccccc1NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 37477367 RRWDRFPFFOPXLW-SFHVURJKSA-N 368.437 2.071 0 40 FEAB COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1)C(C)C 40309671 NTCSKMNSHZGRHR-DOTOQJQBSA-N 356.426 2.264 0 40 FEAB biogenic CCc1nn2c(nnc3c(=O)n(CCO)ccc32)c1-c1ccc(Cl)cc1 40395880 IVOMOFJQCGRKIO-UHFFFAOYSA-N 369.812 2.314 0 40 FEAB O=C(CNc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 46168966 HMYVASAOYQPJHW-UHFFFAOYSA-N 367.405 2.401 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)Nc2ccccc2)n1 48235774 FRGYYCQNRARJRJ-CQSZACIVSA-N 357.458 2.464 0 40 FEAB CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n[nH]1 48366122 KQYPOAZPEBASIO-OKILXGFUSA-N 357.458 2.472 0 40 FEAB COc1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)ccc1C 50821642 NJHWTGAKBCANGZ-CQSZACIVSA-N 363.439 2.120 0 40 FEAB CC(C)COC(=O)Nc1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 58178869 UKYLDGQSEOKXET-UHFFFAOYSA-N 361.398 2.369 0 40 FEAB Cc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1OCC(=O)O 58377278 YSRSEMWANJARGB-UHFFFAOYSA-N 353.371 2.423 0 40 FEAB C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br 63193910 ABGYGNPAZDASEX-CABZTGNLSA-N 365.268 2.479 0 40 FEAB CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 66948610 HXJPAUZEQJGWGK-OALUTQOASA-N 357.498 2.020 0 40 FEAB CC(=O)N[C@H](C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(C)C 69412688 IUEIZJPHHFAAHL-KRWDZBQOSA-N 369.868 2.284 0 40 FEAB Cc1cc(I)c(O)c(I)n1 71254797 DABSESGTIATYAW-UHFFFAOYSA-N 360.920 2.305 0 40 FEAB CC[C@]1(c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)CCC(=O)NC1=O 71281507 WVPFXTRAQOLAMI-STXHMFSFSA-N 372.421 2.066 0 40 FEAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@H]3CCC(=O)NC3)n2)cc1 72063669 ZFZDHDVBCFGUFH-HNNXBMFYSA-N 356.426 2.187 0 40 FEAB COc1ccc(C[C@@H](CO)CNC(=O)Nc2nc(C)c(C)s2)cc1O 72304713 KYJGZPBRELTLDS-CYBMUJFWSA-N 365.455 2.447 0 40 FEAB CCCNC(=O)CN1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 72394449 LOMHZZUYEAQWSZ-UHFFFAOYSA-N 373.497 2.097 0 40 FEAB COC(=O)C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)cc(C)[nH]c1=O 72404449 UXIWFBPBZGRWGH-SNVBAGLBSA-N 365.769 2.466 0 40 FEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CCO)cc1 75567074 OPAHAFIFTFYYEI-FQEVSTJZSA-N 365.433 2.389 0 40 FEAB CC1(C)CCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 77448478 GNCRMONVGPTDAN-FQEVSTJZSA-N 355.438 2.386 0 40 FEAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 79061078 SLUMEGCLZFRKHM-GFCCVEGCSA-N 367.345 2.205 0 40 FEAB CN(C)c1ccc(-c2noc(C(=O)N[C@@H](CO)Cc3ccccc3)n2)cc1 80358233 ANIDMSCZYQZUHW-MRXNPFEDSA-N 366.421 2.136 0 40 FEAB CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@@](C)(O)CN(C)C)c12 84758822 HSQMRKHDLYYITK-LJQANCHMSA-N 360.458 2.095 0 40 FEAB C[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1O)S(C)(=O)=O 95446773 PGVSMPKCMMMLHF-YFKPBYRVSA-N 356.625 2.180 0 40 FEAB O=C(C1=COCCC1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95957389 XCRMJACATWMARC-UHFFFAOYSA-N 350.422 2.487 0 40 FEAB CN(C)C(=O)c1ccc(N2CCC(NC(=O)c3cccs3)CC2)nc1 95958805 ZVZYYRSICCHCLE-UHFFFAOYSA-N 358.467 2.244 0 40 FEAB O=C(COc1ccccc1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107658 GYZCZUFQXJAQAP-PXNSSMCTSA-N 354.406 2.299 0 40 FEAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ncccn1)CC2 96146939 WCJQZXDWQZCFQV-UHFFFAOYSA-N 365.462 2.468 0 40 FEAB COCCNC(=O)c1cc(-c2cnc(NCc3ccccc3)nc2)cn1C 96147598 PJYXHPHDETYMPG-UHFFFAOYSA-N 365.437 2.470 0 40 FEAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 96245451 TYKNIRJSZZHQSM-HUUCEWRRSA-N 350.846 2.183 0 40 FEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C2 102136538 QMALWFFODYCUPS-FSZRXZPDSA-N 371.547 2.172 0 40 FEAB CCCNC(=O)CCCC(=O)N1CCC(c2nnc3ccccn23)CC1 104138741 FSKIPELSOOWISR-UHFFFAOYSA-N 357.458 2.132 0 40 FEAB O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 152364931 UIHLOZZQSACYRG-VXGBXAGGSA-N 371.340 2.104 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)CC1 223096635 SNBLQSVEYYWLPE-CYBMUJFWSA-N 369.421 2.033 0 40 FEAB Cc1ccc(CN2Cc3ccnn3[C@@H](CC(=O)NCc3cccnc3)C2)o1 248089402 LEVMWOCRAZCXJB-SFHVURJKSA-N 365.437 2.443 0 40 FEAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4cccc(O)n4)C[C@H]23)cc1 257250241 JLSBJVOVXNOTDE-ZHALLVOQSA-N 367.449 2.356 0 40 FEAB O=C(c1ccnnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257283327 OXVIDVKOSTXADR-DNVCBOLYSA-N 357.385 2.458 0 40 FEAB O=C(COc1cccc(F)c1)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257298003 RJSFDVFFOWDLOZ-XOKHGSTOSA-N 356.401 2.344 0 40 FEAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 257329267 XJDJWVBZECSHHA-KRWDZBQOSA-N 352.438 2.245 0 40 FEAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2ccc(C)s2)n1 257336693 YPPLNSQUHUHJJH-QGZVFWFLSA-N 358.467 2.389 0 40 FEAB C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)CCN(C2CC2)C1 297686832 XKLCEZVQCIAUGG-VDZJLULYSA-N 358.486 2.427 0 40 FEAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 306134334 NJJCZBYPJIAKIN-GOSISDBHSA-N 364.453 2.259 0 40 FEAB COCCn1cc(C(=O)N2CCNC[C@H]2c2ccncc2)c2ccccc21 520830624 QCWBKQZSMVUSSX-FQEVSTJZSA-N 364.449 2.469 0 40 FEAB NC(=O)c1cn(CC(=O)N2CC[C@@H](C3CCOCC3)C2)c2ccccc12 535133702 IOBBUYOJOUEDNT-OAHLLOKOSA-N 355.438 2.015 0 40 FEAB COCc1ccccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C1CC1 549544209 BLHNYBKPSDHKKC-QGZVFWFLSA-N 351.468 2.413 0 40 FEAB CC(=O)N1C[C@H](NC(=O)c2cncnc2C(C)C)CC[C@@H]1C(F)(F)F 583621129 AJASHLPKUZJCNJ-DGCLKSJQSA-N 358.364 2.272 0 40 FEAB Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)N2CCN(c3ccccc3)CC2)on1 584902511 WWTSOTKAZOAHEH-APWZRJJASA-N 370.453 2.072 0 40 FEAB O=C(CN1CCC[C@@](O)(COc2ccccc2)C1)NCc1cccc(F)c1 585272130 FVUIIHPIWKIIFP-NRFANRHFSA-N 372.440 2.348 0 40 FEAB CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cncc(C(=O)O)c1 630121117 GPWCWCFZENVGIL-UHFFFAOYSA-N 355.394 2.497 0 40 FEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1F 643766775 RJFUHFSVRAATBJ-BLLLJJGKSA-N 353.419 2.303 0 40 FEAB O=C(CCOc1ccccc1Cl)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644072018 PFOFUSARYMWKAK-IMJJTQAJSA-N 352.862 2.213 0 40 FEAB O=C(N=c1ccc(C(F)(F)F)n[nH]1)N[C@H]1CCO[C@@H](c2cccnc2)C1 652938781 VLWVVUFGKMOCSR-NWDGAFQWSA-N 367.331 2.354 0 40 FEAB Cc1cc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)ccc1C(=O)O 656636471 HQEYOXKZCUVQFA-UHFFFAOYSA-N 365.411 2.042 0 40 FEAB C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(C)c3ccccc32)CS1(=O)=O 665056248 SQRHZVPZTPGPTP-YCPHGPKFSA-N 365.499 2.223 0 40 FEAB Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCN(Cc2ccccn2)CC1 667491590 YANOVQNRGMLLGO-PKOBYXMFSA-N 355.486 2.101 0 40 FEAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 1565545066 CVXSPOMNCRNMRB-UHFFFAOYSA-N 366.465 2.384 0 40 FEAB CC1(C)CN(CCn2cnc3ccccc3c2=O)c2cnccc2NC1=O 1615589192 JPYFMUQOBOUUNH-UHFFFAOYSA-N 363.421 2.276 0 40 FEAB CC(=O)N1CCCCCc2cc(Cl)ccc2OC[C@@H](O)[C@@H](O)CC1 2037972544 AFDNLZWRFXTTDB-DLBZAZTESA-N 355.862 2.406 0 40 FEAB O=C(c1cccs1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773066 QRALQAPBNTWLCT-UHFFFAOYSA-N 358.467 2.102 0 40 FEAB CCn1c(O)nc2c(N3CCN(c4cc(C)ccc4C)CC3)ncnc21 2086866034 JOYVJIABLBXTRF-UHFFFAOYSA-N 352.442 2.495 0 40 FEAB Cc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(C)c3)s2)cc1 105626448 LCSVWGQZNMPBPO-KODDWTJMSA-N 350.443 2.301 0 40 FEAB C[C@H](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccccc1 24836823 JQAROYCFVKEFNY-OAHLLOKOSA-N 364.453 2.206 0 40 FEAB O=C(NCc1ccccn1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819467 HSYDFNRXULPLQE-SFHVURJKSA-N 365.364 2.123 0 40 FEAB COc1cccc(OCc2nnc(SCC(=O)N3CCCC3)n2C)c1 904900 QJZHUVLPMFSKNY-UHFFFAOYSA-N 362.455 2.117 0 40 FEAB C[C@]1(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1(Cl)Cl 78774274 NQCJJZNVKIIIJY-OAHLLOKOSA-N 356.253 2.018 0 40 FEAB COc1ccc(C(=O)OC[C@@H]2CNC(c3ccccc3)=NO2)c(OC)c1 79063007 VMPBLBCMXSNXKF-HNNXBMFYSA-N 356.378 2.211 0 40 FEAB FC(F)c1nnc2ccc(N3CCN(CCc4ccccc4)CC3)nn12 79109317 VSDAHMNKQYNHFS-UHFFFAOYSA-N 358.396 2.427 0 40 FEAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C 1462414 BMKHBXNLRSPWRD-UHFFFAOYSA-N 358.419 2.477 0 40 FEAB CCNC(=O)COc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 25649939 KFNAXPMVSSKWJA-UHFFFAOYSA-N 358.423 2.092 0 40 FEAB C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 25747533 GDWGZXJBYXXCSW-AWEZNQCLSA-N 350.422 2.232 0 40 FEAB COc1cccc(-c2nnn(CC(=O)N(C)Cc3ccccc3OC)n2)c1 7216785 FGGKHSNZUPKGDB-UHFFFAOYSA-N 367.409 2.016 0 40 FEAB CC(C)N(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1 10931148 CRQHKWCNMPXYQT-UHFFFAOYSA-N 372.469 2.183 0 40 FEAB O=C(NC1CCCCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8007396 ZEXIRFOFKQCAGN-HNNXBMFYSA-N 361.467 2.049 0 40 FEAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccco1 8017684 BSGZELLCBVRFLJ-ZDUSSCGKSA-N 352.346 2.379 0 40 FEAB COc1cccc(CN(C)CC(=O)N2CCN(c3ccccc3)CC2)c1 8213194 QEXJQZGZGHYDBF-UHFFFAOYSA-N 353.466 2.476 0 40 FEAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N1CCN(C(=O)C2CC2)CC1 58180036 BUICERQMGOPLGY-HXUWFJFHSA-N 367.493 2.219 0 40 FEAB Cc1cccc(C(C)(C)CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 58197696 RTDVGXLUWLFNJZ-UHFFFAOYSA-N 366.469 2.268 0 40 FEAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc2c(c1)OCCCO2 58185762 HHAKURKGEALMMH-UHFFFAOYSA-N 367.361 2.303 0 40 FEAB O=C(NCC1CCCC1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 58216421 NMZMUQGUKFAQLF-UHFFFAOYSA-N 355.442 2.221 0 40 FEAB C[C@@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(F)cc1 58224469 QCSDLAQDCNDQNI-ZDUSSCGKSA-N 356.463 2.202 0 40 FEAB CC(C)[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N1C[C@@H](C)O[C@H](C)C1 58344149 BRJKSODYLXEQFL-RKVPGOIHSA-N 372.469 2.487 0 40 FEAB C[C@H](NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 108845197 KHGBNZFTJCISQK-AJNGGQMLSA-N 372.421 2.079 0 40 FEAB CC1(C)CC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC(C)(C)N1 10818303 YWXZPUHULDMWKS-UHFFFAOYSA-N 352.500 2.270 0 40 FEAB O=C(NCCCCN1CCCC1)NCc1cccc(CN2CCOCC2)c1 58173018 OFEFINGKLBNCIK-UHFFFAOYSA-N 374.529 2.194 0 40 FEAB CN(CCCNC(=O)Nc1ccccc1S(C)(=O)=O)CC(F)(F)F 45986808 UHRLDQLZJYRKFK-UHFFFAOYSA-N 367.393 2.096 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc2c(c1)CCC2 100466743 FOUAYSBWKIMSHD-HZLBELHRSA-N 362.429 2.167 0 40 FEAB Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)c1 3280973 FYMMPGWOEJBHLK-UHFFFAOYSA-N 358.375 2.336 0 40 FEAB CN(C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccs1 25385473 FHGULYXRCQAFIW-AWEZNQCLSA-N 367.496 2.152 0 40 FEAB C[C@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)N1CCOCC1 29961133 CJQMOIMLHRVFFW-CQSZACIVSA-N 362.861 2.035 0 40 FEAB O=C(Cc1csc(N2CCNC2=O)n1)NCC1(c2ccccc2)CC1 46765136 HBDOHTNIWAMCCD-UHFFFAOYSA-N 356.451 2.063 0 40 FEAB Cc1nc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc2nc1C 61074788 QJWMWJBMUQDISI-LJQANCHMSA-N 360.417 2.299 0 40 FEAB C[S@](=O)c1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 12744090 CCGJQFWCZFAIIS-RUZDIDTESA-N 356.491 2.425 0 40 FEAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1 3355242 SXYJCQUDFDYPHK-NSHDSACASA-N 373.442 2.265 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3ccco3)C2)c1 107233568 XIGAIMSLZNFZSP-PKOBYXMFSA-N 374.462 2.305 0 40 FEAB CCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 3338545 GCRKXHXECGYCAR-SFHVURJKSA-N 361.486 2.123 0 40 FEAB O=C(COc1ccc(C(=O)O)cc1Br)NCc1ccco1 13190898 RDZUFEVUPALAQM-UHFFFAOYSA-N 354.156 2.436 0 40 FEAB COc1cc(C2=NO[C@@H](C(=O)Nc3cc(C)on3)C2)cc(OC)c1OC 5030852 PUMGHWIWFFPEHP-CQSZACIVSA-N 361.354 2.141 0 40 FEAB Cc1ccc(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 6107077 XQQFYOIPPWTIQV-ZDUSSCGKSA-N 369.373 2.268 0 40 FEAB COc1ccc(OC)c(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 5253313 LKSVDZSLGKWQFD-UHFFFAOYSA-N 368.389 2.497 0 40 FEAB O=C(Nc1cccc(CNC(=O)[C@H]2COc3ccccc3O2)c1)C1CC1 14159742 VLPJPDSDOISJRU-GOSISDBHSA-N 352.390 2.491 0 40 FEAB Cn1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 14249182 PHWUCOBLIQABAU-GXDHUFHOSA-N 374.466 2.071 0 40 FEAB O=C(NC1CCS(=O)(=O)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 71957918 YRRKINJDMCQBBC-UHFFFAOYSA-N 355.415 2.205 0 40 FEAB CCn1c(CN2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 7503449 HVFHXZAFHKXJCO-UHFFFAOYSA-N 350.488 2.292 0 40 FEAB Cc1noc([C@H](NC(=O)c2ccc(Cn3ccccc3=O)o2)C(C)C)n1 89718520 MLHDKOPZJXEJSX-MRXNPFEDSA-N 356.382 2.308 0 40 FEAB C[C@H](CONC(=O)Nc1ccc2c(c1)OCCO2)NC(=O)OC(C)(C)C 95981271 YIAURPRBHFLKOF-LLVKDONJSA-N 367.402 2.424 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CCN1CCCC1=O 95999803 DZNUHBBKMFDAOD-IBGZPJMESA-N 368.481 2.485 0 40 FEAB CCOCCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC)C2)cc1 95961589 PWSQYYWIZXYQHX-MRXNPFEDSA-N 370.515 2.112 0 40 FEAB Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(=O)[nH]1 72272909 HDJVYFBPRGJYBE-AEFFLSMTSA-N 359.401 2.105 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCCN(c2cnn(C)c2)C1=O 72558178 PBWKJBXCBZIFMV-IBGZPJMESA-N 364.453 2.233 0 40 FEAB C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 25371210 CWHMDWUOIHOJQW-LBPRGKRZSA-N 371.455 2.410 0 40 FEAB CCOc1ncccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 502477916 GVIWSNQJGOVRMZ-WMLDXEAASA-N 357.458 2.027 0 40 FEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N(C)Cc1ccccc1)O2 38832924 KDOJHHHQMOPGMU-SFHVURJKSA-N 374.462 2.181 0 40 FEAB Cc1cc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)n2ncnc2n1 63248855 BPOHBVDPYYBGHC-LBPRGKRZSA-N 367.331 2.303 0 40 FEAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4ccco4)CC3)cc2N1 71486509 BVCBOEOJFKASBF-UHFFFAOYSA-N 354.362 2.346 0 40 FEAB COC(=O)C1=C(C)N[C@H](c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 31816552 UGZHJKWYIZILBA-QGZVFWFLSA-N 361.394 2.285 0 40 FEAB Cc1nc2cc(NC(=O)C3CN(C(=O)c4cnccn4)C3)ccc2s1 70809112 OURQUTVLBOLCCE-UHFFFAOYSA-N 353.407 2.105 0 40 FEAB CCN(C(=O)[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 72391811 YNYHNFQREAJGKN-LJQANCHMSA-N 363.477 2.142 0 40 FEAB CN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646415 GZHLNJULVPHNKF-UHFFFAOYSA-N 351.756 2.365 0 40 FEAB CSc1nccn1-c1cccc(C(=O)NCCCN2CCOCC2)c1 42765632 YHVQHSFOONVFHR-UHFFFAOYSA-N 360.483 2.046 0 40 FEAB Cc1ccc(-n2nc(C(=O)NC(C)(C)C)c3c2CCS(=O)(=O)C3)cc1 41070565 LTPFKBATVJWSSP-UHFFFAOYSA-N 361.467 2.180 0 40 FEAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCN2CCOCC2)c1 225585771 IQMLZDXZTHHYFX-UHFFFAOYSA-N 365.499 2.180 0 40 FEAB Cc1nc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)sc1C 49544683 ROZSQKAPHKGHCY-UHFFFAOYSA-N 373.482 2.230 0 40 FEAB COc1cncc(O[C@H]2CCN(C(=O)c3nc4ccccc4s3)C2)n1 225393995 DBSIJICKCNNMBK-NSHDSACASA-N 356.407 2.388 0 40 FEAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 248043473 VYJDWRUFNUGQSP-KRWDZBQOSA-N 367.453 2.026 0 40 FEAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257292359 QLDALMAGWJNRLO-IBGZPJMESA-N 354.454 2.384 0 40 FEAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257337962 YVFTZWQIVYKEHE-AUUYWEPGSA-N 357.385 2.458 0 40 FEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1noc2c1CCCC2 257205232 AYDLAYMYIRLXSP-CQSZACIVSA-N 356.426 2.126 0 40 FEAB O[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1N1CCC(F)(F)CC1 257312005 ULZNLBVWJOFDFW-IRXDYDNUSA-N 358.404 2.311 0 40 FEAB O=C(N[C@H]1C[C@H](O)C12CCC2)c1cn(-c2cccc(Cl)c2F)nn1 619078145 OSMMRRFKQOPSFL-STQMWFEESA-N 350.781 2.093 0 40 FEAB CC[C@@H](COCC(F)(F)F)NS(=O)(=O)C[C@H]1CC2(CCC2)CO1 1190622812 WGIUZGQUYXKFFP-NWDGAFQWSA-N 359.410 2.223 0 40 FEAB CCCc1cc(C(=O)N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)n[nH]1 681953645 OYCMUSMFFKNJHY-CQSZACIVSA-N 353.430 2.040 0 40 FEAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)c(C)o1 585096927 FRSQOLGKXKGCGR-HNNXBMFYSA-N 356.426 2.130 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCC[C@H](C)C2)n1 12186044 HXYSXYFZNPLQDJ-WFASDCNBSA-N 357.458 2.080 0 40 FEAB O=C(COc1ccccc1F)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 19350167 QBTNCDBGTHHXSM-CYBMUJFWSA-N 367.380 2.457 0 40 FEAB Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C 19578334 HCGIOKQEAKPDEJ-CDHQVMDDSA-N 354.498 2.188 0 40 FEAB CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C(C)=C1C(=O)OC 19819124 QQIIWCBLTGVYQW-ZDUSSCGKSA-N 350.802 2.276 0 40 FEAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCN1c1nccs1 206783293 BRZTXKMSHABWDA-LBPRGKRZSA-N 371.459 2.238 0 40 FEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 6358497 PSZYJZKYPWNGIE-KPKJPENVSA-N 352.774 2.193 0 40 FEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](c1ccccc1)c1nn[nH]n1 622612459 XNEHQIFRCFNZRN-ZDUSSCGKSA-N 362.315 2.441 0 40 FEAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(n2nnc3cccnc32)CC1 12219895 LVQYNLKMCJCWAQ-UHFFFAOYSA-N 367.457 2.335 0 40 FEAB Nn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 3302677 VJMVHLUCQWDMIZ-UHFFFAOYSA-N 363.830 2.314 0 40 FEAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3440917 KCLLJTSJMMCVBU-UHFFFAOYSA-N 363.801 2.320 0 40 FEAB CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1 6712138 GKUATSRPEOVIQE-UHFFFAOYSA-N 361.467 2.007 0 40 FEAB CCn1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888860306 RXOIFGSRGGNSLM-CALCHBBNSA-N 368.481 2.377 0 40 FEAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)C1 25380719 MDVGOOQWYTXASE-ZWKOTPCHSA-N 360.454 2.364 0 40 FEAB Cc1csc(=O)n1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 25665398 CHUFYGJLZCXCJP-UHFFFAOYSA-N 358.389 2.412 0 40 FEAB Cn1nc([C@@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc1O 2037844522 VMISOEKWJCYUHE-HNNXBMFYSA-N 352.398 2.074 0 40 FEAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C(C)C 4940364 UZYNPZGCRQCMIE-UHFFFAOYSA-N 351.410 2.087 0 40 FEAB Cn1cc(C(=O)NC2CCCCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 9659530 DQFUAEBHYMIMLB-UHFFFAOYSA-N 366.421 2.080 0 40 FEAB Cn1cc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)cn1 2055751132 LCOLXYWBGDALHB-UHFFFAOYSA-N 353.470 2.099 0 40 FEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnn(-c3ccccn3)c2C)n1 40142506 CCNGTMVKGPSBIH-CYBMUJFWSA-N 352.442 2.455 0 40 FEAB Cc1ccc(NC(=O)[C@H](C)SCc2nc(N)nc(N(C)C)n2)c(C)c1 32854139 XGTFMOFRTIJRGD-LBPRGKRZSA-N 360.487 2.397 0 40 FEAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 32869082 ZIDHPFQWDFCPMY-ZDUSSCGKSA-N 359.451 2.342 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cc1NS(C)(=O)=O 53045624 MAUGSERFFXOCDH-HNNXBMFYSA-N 360.435 2.100 0 40 FEAB C[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H](C)O1 23584719 PGGKZHNTPAVIAU-QWRGUYRKSA-N 352.232 2.066 0 40 FEAB CCN(CC)S(=O)(=O)c1ccc(C2=N/C(=C/c3ccc[nH]3)C(=O)O2)cc1 105324979 HSNBJZKRROGKNY-FOWTUZBSSA-N 373.434 2.390 0 40 FEAB CC(=O)O[C@H](C(=O)Nc1ccccc1)[C@@H](C)S(=O)(=O)c1ccccc1 1277465 GPJGVXURDZKZNZ-DYVFJYSZSA-N 361.419 2.419 0 40 FEAB O=c1c2cccnc2cnn1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 77416690 UQIDCMKYBJKJOC-DNVCBOLYSA-N 351.406 2.247 0 40 FEAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc2c(c1)OCO2 1353688 VARRPZLGUYKSDZ-UHFFFAOYSA-N 373.369 2.261 0 40 FEAB CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 56077159 YWYZBZMUJCPVLO-UHFFFAOYSA-N 369.874 2.249 0 40 FEAB CCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O 6560422 WWOJDHZRXBGVMT-ZDUSSCGKSA-N 362.455 2.118 0 40 FEAB COC(=O)C1(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CCCC1 43964885 KFEUOQRWXYVYLL-UHFFFAOYSA-N 371.437 2.388 0 40 FEAB CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10111633 UEPVTVWQUNCVGW-LJQANCHMSA-N 373.478 2.345 0 40 FEAB CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3OC)ccc21 8586845 MJZMOWDFLWVFON-UHFFFAOYSA-N 374.462 2.337 0 40 FEAB O=C(COc1ccc(F)c(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 57940949 FIXAPIMIPAILMZ-ZDUSSCGKSA-N 373.421 2.302 0 40 FEAB N[C@@H](CCC[C@](N)(C(=O)O)C(=O)c1ccccc1)C(=O)c1ccccc1 59832377 KCERZKANANQKNA-OXJNMPFZSA-N 354.406 2.032 0 40 FEAB O=C(CNC(=O)NCCC(=O)NC1CCCC1)Nc1ccc(Cl)cc1 58203219 JWCHZGOJKUOIOC-UHFFFAOYSA-N 366.849 2.027 0 40 FEAB Cc1cc(C(=O)NC2CCN(C(=O)CSc3ccccc3)CC2)no1 58202530 LOONFSDWVLMIPL-UHFFFAOYSA-N 359.451 2.496 0 40 FEAB C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 22432047 INMAUOWVELUOKC-ZDUSSCGKSA-N 350.415 2.469 0 40 FEAB CN1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 58218516 QURBJHPZLYOAEZ-NSHDSACASA-N 355.232 2.044 0 40 FEAB CCn1cnnc1CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 58210433 ZJRKGSSZPGZBSN-QGZVFWFLSA-N 356.474 2.152 0 40 FEAB O=C(CN(C1CC1)[C@H]1CCCc2ccccc21)NCC(=O)N1CCCC1 58209169 VVKTVLPQXZXHST-IBGZPJMESA-N 355.482 2.267 0 40 FEAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NS(=O)(=O)CC)c12 2342595 GFXNNYLCJKGPSM-UHFFFAOYSA-N 354.428 2.434 0 40 FEAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1=O 11518414 ZPJXXAXNPGWYQU-UHFFFAOYSA-N 374.853 2.172 0 40 FEAB Cc1cc(Cl)c(C(C)C)cc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 22743453 ABUKCVLWXNMDEA-LBPRGKRZSA-N 359.875 2.454 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)OC 12752020 BTWWNOKEBNNDJO-BXKDBHETSA-N 359.831 2.042 0 40 FEAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3378054 WCYZXMRBARLULR-QKKBWIMNSA-N 363.417 2.431 0 40 FEAB CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 12930504 QCCVTNDRRZTQIR-UHFFFAOYSA-N 356.378 2.240 0 40 FEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13575644 GFOJAQICYFSWDZ-DFVSYVKXSA-N 369.465 2.252 0 40 FEAB CNC(=O)c1nn(CN2CCC[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 14182831 MELYFEZGWMFMAG-PBHICJAKSA-N 354.454 2.368 0 40 FEAB CCN(C(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 4504776 WUOWHMQWEBJBKO-NSHDSACASA-N 366.266 2.408 0 40 FEAB O=C(NC1CC1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408975043 IYWJLGXNKIYGBI-UHFFFAOYSA-N 358.357 2.323 0 40 FEAB CCCn1c(SCC(=O)Nc2ccc(Br)cc2)n[nH]c1=O 5925106 VZGJGBYAYJWJFF-UHFFFAOYSA-N 371.260 2.475 0 40 FEAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8379549 SXOIXZJAEIWTHV-KBXCAEBGSA-N 358.463 2.329 0 40 FEAB O=C(NCC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1c[nH]c2ccccc2c1=O 69414246 CCDNQHGNYMPAMG-HUUCEWRRSA-N 367.449 2.297 0 40 FEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(F)cc1)n2CCOC 8746473 ZPALLTJYRHTBGQ-UHFFFAOYSA-N 360.389 2.139 0 40 FEAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 8884391 XEDOVJAWMMRLCI-VBROQKIQSA-N 366.439 2.266 0 40 FEAB Cc1nccc(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)n1 95959340 HROLKZXPYFUZDO-UHFFFAOYSA-N 369.425 2.201 0 40 FEAB Cc1c(C(=O)N2CC[C@@H](Oc3cnsn3)C2)cnn1-c1ccccc1 675008321 QZHNTGLJNWXTMY-CQSZACIVSA-N 355.423 2.326 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306123503 AOYPUVCZVFNPQP-INIZCTEOSA-N 369.421 2.395 0 40 FEAB CNC(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 524732799 ONOSZQJJPJOPKJ-UHFFFAOYSA-N 356.430 2.012 0 40 FEAB O=C(N[C@@H]1CN(C(=O)[C@@]23CCCC[C@@H]2C3)C[C@H]1O)c1coc(C(F)F)c1 1025330830 BXPBPDOGZTXMLJ-JJFYZRJRSA-N 368.380 2.099 0 40 FEAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)CC1CCCC1 1556331668 OJINYYKDNDNJDY-KGLIPLIRSA-N 358.504 2.354 0 40 FEAB COc1ccc(C(=O)NC2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 35291842 CHDDZEPFJCPRAP-MRXNPFEDSA-N 373.497 2.148 0 40 FEAB C[C@H](OCCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 48345437 KMRQPMNBRAPQPM-HNNXBMFYSA-N 373.453 2.135 0 40 FEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(Br)cc2)c1=O 225967233 VFMALZCBSIOSFV-UHFFFAOYSA-N 365.183 2.374 0 40 FEAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225649886 GENBSDIWTKASRL-IBGZPJMESA-N 364.442 2.068 0 40 FEAB CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)n1 224341609 DDADJRRBQGTPBG-UHFFFAOYSA-N 355.851 2.063 0 40 FEAB C[C@H](C(=O)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 43305678 JUSYQQAIYZRKHP-CQSZACIVSA-N 371.403 2.075 0 40 FEAB N[C@@H]1CC[C@@H]2CN(C(=O)c3occc3CN3C(=O)Cc4ccccc43)C[C@@H]21 579240828 DHOMATVXKYQBLK-HYVNUMGLSA-N 365.433 2.178 0 40 FEAB COc1cccc(CC(=O)N2CCn3cnc(COCC4CC4)c3C2)c1 96085171 ULYBHTOWDOYFNC-UHFFFAOYSA-N 355.438 2.403 0 40 FEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3c(C)nc4ccccn34)C2)c1F 253472028 HXDFVPCPJQTMCP-ZDUSSCGKSA-N 369.400 2.428 0 40 FEAB CCOc1ncccc1C(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 257228743 FVAUUHQJWCUHRM-AWEZNQCLSA-N 355.442 2.407 0 40 FEAB Cn1cnc(CN2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)c1 257219377 DGOJHEPDXVMCLA-CQSZACIVSA-N 350.430 2.123 0 40 FEAB Cn1nccc1C(=O)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257216665 CVPJBIMLIHQLIM-ICSRJNTNSA-N 355.438 2.401 0 40 FEAB Cc1nnc([C@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@@H](C)O2)o1 619287223 GSPNTGNWGNIIQN-MLGOLLRUSA-N 353.382 2.166 0 40 FEAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635015745 IBOOUUVFZANDAF-CJNGLKHVSA-N 356.426 2.278 0 40 FEAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCc3nc(C)ncc32)c1 1136745210 PWVYZDPZOLLFGT-INIZCTEOSA-N 352.394 2.423 0 40 FEAB COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 664228852 WAEOVHUZBQUOIL-SDDRHHMPSA-N 358.435 2.160 0 40 FEAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 667728094 FUPCFBNLRHRIFL-OTWHNJEPSA-N 350.418 2.498 0 40 FEAB O=C(NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21)c1cscn1 585112820 WYCHLWWDMOFLJV-OAHLLOKOSA-N 368.466 2.112 0 40 FEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)N1CCOCC1 1775963777 BZNHOOIPIKVVLM-GDAAHCPNSA-N 371.481 2.102 0 40 FEAB biogenic,in-vitro CCN1CCO[C@H](C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)C1 73226166 BJIWAUGODRYHFC-KRWDZBQOSA-N 359.401 2.350 0 40 FEAB O=C1C[C@@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c2ccccc2N1 84578829 LIWGEHVGLJBOLL-WBVHZDCISA-N 367.405 2.013 0 40 FEAB CCOc1ccc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 13042014 XNVDMMHAJPXIFI-KPKJPENVSA-N 374.462 2.105 0 40 FEAB COc1cccc(CC(=O)N2CC[C@H](c3cc4nc(C)cc(O)n4n3)C2)c1 13225668 MPJZPSPTFUGAGZ-HNNXBMFYSA-N 366.421 2.311 0 40 FEAB CCOc1ccc(OCCOC(=O)c2csc(S(N)(=O)=O)c2)cc1 14188104 FHYQBSINGCXQDB-UHFFFAOYSA-N 371.436 2.030 0 40 FEAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 16681846 NDKOYJFPTHQUFN-UHFFFAOYSA-N 364.423 2.254 0 40 FEAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)n1 169680639 LRWTYMVGOKIRTD-ARFHVFGLSA-N 365.433 2.247 0 40 FEAB CC(=O)N1CCN(Cc2cccc(NCc3cnc4ccnn4c3)c2)CC1 648027600 SKBCPVTYZVRLEF-UHFFFAOYSA-N 364.453 2.006 0 40 FEAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCN1CCc2ccccc21 12148439 DBIRBSNPJJGTIV-UHFFFAOYSA-N 371.824 2.427 0 40 FEAB COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C 21329544 DTVKLEJZZOSMGN-CQSZACIVSA-N 366.483 2.494 0 40 FEAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc2[nH]nnc2c1 14375747 ZCWTZJYAGWJUSV-UHFFFAOYSA-N 368.422 2.308 0 40 FEAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)O1 1565547278 PBIBZPMNCHMYAF-ICSRJNTNSA-N 363.502 2.064 0 40 FEAB Cc1cc(C)c(N(C[C@@H](O)CNCc2ccco2)S(C)(=O)=O)c(C)c1 16839711 GYIZLAJVJXVEKY-INIZCTEOSA-N 366.483 2.122 0 40 FEAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2ccncc2)CC1 2055759280 FWHRGRQBAJVUAN-UHFFFAOYSA-N 368.481 2.291 0 40 FEAB O=C(Cn1c(=O)oc2ccccc21)N1CCc2nc3ncccc3cc2C1 1890477135 IUBLQUNZEGIBDV-UHFFFAOYSA-N 360.373 2.123 0 40 FEAB COc1cc(N2CCN(c3ncccc3C(F)(F)F)CC2=O)ccn1 2086884656 DIWBSSRCCYHNNW-UHFFFAOYSA-N 352.316 2.357 0 40 FEAB COC(=O)c1ccc2oc(=O)n(CC(=O)c3ccc4c(c3)OCCO4)c2c1 30952820 KNYLMKWHSIBCBM-UHFFFAOYSA-N 369.329 2.035 0 40 FEAB COc1ccccc1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 40025620 LRZADCBZOHYRTG-UHFFFAOYSA-N 350.415 2.153 0 40 FEAB CCc1[nH]c(C(=O)NC[C@H](O)c2ccc(F)cc2F)c(C)c1C(=O)OC 31309814 CRRCDSYHZFQFGX-AWEZNQCLSA-N 366.364 2.414 0 40 FEAB COC(=O)c1cnc(NC(=O)[C@@H](C)OCc2cccc(OC)c2)s1 31713018 YKKPMCXLZFAMBS-SNVBAGLBSA-N 350.396 2.482 0 40 FEAB C[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCCO2 32718846 KKHDTZFRYPAPSJ-KPZWWZAWSA-N 368.389 2.425 0 40 FEAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1cccc(C(F)(F)F)c1 53113237 WCIWGHQOCPKKJT-GXTWGEPZSA-N 371.403 2.250 0 40 FEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 24397696 JTHQGVVFTYVICH-SECBINFHSA-N 357.366 2.333 0 40 FEAB COC(=O)CCCCCCNS(=O)(=O)CCn1cnc2ccccc21 24476512 TXVORKLXJWLRII-UHFFFAOYSA-N 367.471 2.079 0 40 FEAB COC(=O)c1c(NC(=O)CN2CCO[C@H](C)C2)sc2c1CCCC2 24634936 IAPQUUHEMMBEGZ-LLVKDONJSA-N 352.456 2.073 0 40 FEAB CC(C)c1ccc(-c2nnn(CCC(=O)NC(=O)NC(C)(C)C)n2)cc1 25059967 KYOOLKXTMBYYKS-UHFFFAOYSA-N 358.446 2.478 0 40 FEAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NCc1ccccc1 3504937 ALMUNHJXRXQEED-MRXNPFEDSA-N 370.430 2.349 0 40 FEAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 1409926 AVJGCGXROKUVNV-UHFFFAOYSA-N 372.406 2.000 0 40 FEAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6699492 VGZWJHVJWKHDOQ-OHFALNGGSA-N 354.406 2.384 0 40 FEAB Cc1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)c4cccn4C)CCN3C2=O)cc1 8295002 QSEVTBDXYUGNAV-YOEHRIQHSA-N 366.421 2.063 0 40 FEAB biogenic,in-vitro CC(=O)N[C@H](CC(=O)N(C)CC(=O)Nc1cccc(F)c1)c1ccccc1 10135905 PJLGKKCMXQVSLL-GOSISDBHSA-N 371.412 2.490 0 40 FEAB C[C@@]1(c2cccc(NC(=O)Cc3ccc4c(c3)CCC4)c2)NC(=O)NC1=O 58161396 UQGJIGFNTTYRMU-NRFANRHFSA-N 363.417 2.411 0 40 FEAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C1=O 101129013 CLTZTJKBOIWMHI-SQNIBIBYSA-N 370.380 2.319 0 40 FEAB CCCN1C(=O)[C@@H]2[C@@H](C1=O)N(Cc1ccccc1)N[C@H]2c1ccc(O)cc1 101129255 YULTWXOVXVYXQZ-FHWLQOOXSA-N 365.433 2.217 0 40 FEAB CCn1nnc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1 57316460 HCOKBHYXDAKFFF-UHFFFAOYSA-N 366.450 2.338 0 40 FEAB CNC(=O)[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)c2ccccc2O1 29767928 XQCHYSQPGYXQGS-SFHVURJKSA-N 350.374 2.003 0 40 FEAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12797937 DGLHMFYJZKQMBJ-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)OCCO2 3365293 OFTSSPHLLHFFPF-UHFFFAOYSA-N 370.390 2.114 0 40 FEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(OCCn2cccn2)c1 48312851 CHJQYQWNRGMQAP-OAHLLOKOSA-N 371.441 2.095 0 40 FEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 3461239 YBJUFWQQLJAPHA-IIMJZQEZSA-N 357.454 2.457 0 40 FEAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3452806 YJZIOHYRWNTSNE-UHFFFAOYSA-N 353.378 2.392 0 40 FEAB COCCn1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc21 3499067 CWEBIVZXWOTZLS-UHFFFAOYSA-N 350.444 2.009 0 40 FEAB COC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 3506794 YVZRSFHDCPLEMC-UHFFFAOYSA-N 354.284 2.292 0 40 FEAB C[C@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(S(C)(=O)=O)cc1 12923889 YRBCZLDBXBLRIC-LBPRGKRZSA-N 370.430 2.423 0 40 FEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN2CCOc3cccc1c32 95457969 NVJGTBOMPKZJSJ-UHFFFAOYSA-N 352.390 2.246 0 40 FEAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@@H]1CCCO1 4306732 VURVWUUFGNYDDL-INIZCTEOSA-N 352.456 2.415 0 40 FEAB CCCCNC(=O)CN1CCN(C(=O)CSc2ccccc2C)CC1 14095069 NXDZRMOWFIHLOJ-UHFFFAOYSA-N 363.527 2.148 0 40 FEAB CCCn1c(N)c(-c2csc(-c3ccc(OC)cc3)n2)c(=O)n(C)c1=O 14242733 UACDCRDLVBMYCN-UHFFFAOYSA-N 372.450 2.338 0 40 FEAB CN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6542738 XJYWPOSOLMXASB-UHFFFAOYSA-N 350.415 2.348 0 40 FEAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22271915 NPFXSSZMEXEROP-ZDUSSCGKSA-N 350.415 2.324 0 40 FEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCn1ccnc1 71792669 JKLBURXWABBLSP-KRWDZBQOSA-N 358.442 2.340 0 40 FEAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccncc2)S(C)(=O)=O)cc1C 4933166 AHJQGTIAMLKJHJ-HNNXBMFYSA-N 361.467 2.169 0 40 FEAB CCCCN(C)C(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 67208765 RXHWNBCKYHXZFV-UHFFFAOYSA-N 367.453 2.379 0 40 FEAB Cc1noc(C)c1CN1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 75092801 PXDXEHLFTLGMHH-UHFFFAOYSA-N 352.442 2.190 0 40 FEAB Cc1ccc(NC(=O)COc2ccccc2P(=O)(O)O)cc1Cl 8990311 JCYNTNGZTKZTHN-UHFFFAOYSA-N 355.714 2.469 0 40 FEAB COC(=O)[C@H](CCN1CCCCC1)NC(=O)CO[C@H]1CCCC[C@@H]1C 72306527 CZSRBZWVAKYXSE-ULQDDVLXSA-N 354.491 2.116 0 40 FEAB O=S(=O)(Cc1ccon1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 97598616 YHNBAKWJMJAIIF-AWEZNQCLSA-N 350.396 2.113 0 40 FEAB Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CCC2 179363552 HPFKKFVXXXBIQA-WBVHZDCISA-N 365.499 2.096 0 40 FEAB CN1CC(=O)N(c2cccc(NC(=O)Cn3cnc4ccccc43)c2)C1=O 552016823 CHAHOKNMLVYLEH-UHFFFAOYSA-N 363.377 2.073 0 40 FEAB OCCc1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 67897735 VHNWWGLMVSJMTG-UHFFFAOYSA-N 372.343 2.209 0 40 FEAB biogenic,in-vitro COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 22688520 ACQDWNHQUTWROU-UHFFFAOYSA-N 366.414 2.393 0 40 FEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C4CCC4)C[C@@H]2C3)cc1 306143307 XYEXSBJTGNHNMF-UONOGXRCSA-N 367.453 2.196 0 40 FEAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCCC3)c2c1 32089097 BTFMMAPTYJAZKA-IPLHWJFFSA-N 371.393 2.359 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(=O)O)cc(-c3ccco3)c12 73666841 NGQXONQJYYIWIJ-JTQLQIEISA-N 361.379 2.058 0 40 FEAB COc1cccc([C@H]2[C@@H](C(=O)Nc3nccs3)[C@H](C)Nc3ncnn32)c1 36621314 CRQDODVQDBSDOA-BPNCWPANSA-N 370.438 2.402 0 40 FEAB COCCCNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 217602937 JFIRROSUIDEMEW-UHFFFAOYSA-N 358.460 2.158 0 40 FEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 73743144 DXCQLQIJYQEFNL-ZDUSSCGKSA-N 368.275 2.297 0 40 FEAB CCOc1ccc(-n2nnc(C(=O)O)c2CSc2ncccn2)cc1 85398289 NSENMMMNMBFJPT-UHFFFAOYSA-N 357.395 2.447 0 40 FEAB O=C(c1cnccn1)N1CCc2c(COCc3ccncc3)cncc2C1 96059338 PPQARFCUZBRWPC-UHFFFAOYSA-N 361.405 2.182 0 40 FEAB COc1ccc(OCC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C2)cc1 98211987 CZYYEEVDSUWQIV-OAHLLOKOSA-N 359.426 2.070 0 40 FEAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)Cc1cccs1)C2 96227013 CNYWDBXIBQYUKZ-APWZRJJASA-N 355.463 2.241 0 40 FEAB O=S1(=O)CC[C@@H](c2nn3c(Cc4ccccc4Cl)nnc3s2)C1 96231075 WMMYYONNZKPTBX-SNVBAGLBSA-N 368.871 2.332 0 40 FEAB COc1cccc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)c1 96158868 PMLNPQDUHVRJDG-UHFFFAOYSA-N 354.454 2.357 0 40 FEAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCn4nccc4C3)cc2)co1 253471893 GLJSLFCMCDJICQ-AWEZNQCLSA-N 358.423 2.140 0 40 FEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 257310272 UELADKSNQGZHPC-OAHLLOKOSA-N 350.426 2.394 0 40 FEAB CC(C)N1C(=O)CO[C@H]2CCN(C(=O)CCc3cccs3)CC[C@@H]21 257246434 IUCIROAPNIAYJO-HOTGVXAUSA-N 350.484 2.308 0 40 FEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1 257310285 UEMPNGINVBUBSL-GFCCVEGCSA-N 355.364 2.350 0 40 FEAB CO[C@@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 257305597 SQSMBPMUFGUTNV-IEBWSBKVSA-N 362.495 2.395 0 40 FEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257296399 RCQCNLABMDMCAC-INIZCTEOSA-N 356.426 2.228 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257286429 PLOLGODHRKLCGL-GOSISDBHSA-N 357.458 2.033 0 40 FEAB Cc1cc(NC2CC3(CCN(C(=O)CCn4ccc(C)n4)C3)C2)ncn1 257336753 YPVVFSNEAFLOFP-UHFFFAOYSA-N 354.458 2.173 0 40 FEAB C[C@]1(NC(=O)c2cncc(Cc3cccc(F)c3)c2)CCS(=O)(=O)C1 257202411 ALRNWHXWVXQXPP-SFHVURJKSA-N 362.426 2.119 0 40 FEAB CC(C)Cc1cc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)on1 257211053 BXILVUPFBSATAH-INIZCTEOSA-N 358.442 2.324 0 40 FEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260793482 JZTPYOHSEYYQLA-XEZPLFJOSA-N 368.524 2.334 0 40 FEAB CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(C(C)(C)C)n2)C1 275602574 IBLXMGTZAXYNOB-GFCCVEGCSA-N 374.514 2.159 0 40 FEAB C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H](c2nc(C3CC3)no2)O1 623173471 IBPBNXYQVJKEDP-BXUZGUMPSA-N 357.414 2.010 0 40 FEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(=O)O)C1 659173515 NVIQUSWUWVAVLL-PUHVVEEASA-N 373.327 2.327 0 40 FEAB Cn1nccc1CN1CCN(C[C@H](O)c2cccc3ccccc23)CC1 1176958485 HIUBMGGNVUXUPR-NRFANRHFSA-N 350.466 2.425 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN(C)C3=O)cc1C(=O)O 1184704502 ZATQUZWWXYZPKK-UHFFFAOYSA-N 374.418 2.122 0 40 FEAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)ccc1O 53350715 RKZYHSNCJFZMAZ-UHFFFAOYSA-N 359.813 2.475 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 58369247 OJLCFZDNYBAGOV-HUUCEWRRSA-N 369.508 2.217 0 40 FEAB Cc1c(NC(=O)N2CCC(c3ccon3)CC2)cccc1-n1cnnn1 665225432 MPFLGFNIIWWARJ-UHFFFAOYSA-N 353.386 2.370 0 40 FEAB Cc1cccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15718181 OBJVEODAMJFTAY-UHFFFAOYSA-N 374.462 2.213 0 40 FEAB CN(C)Cc1cc(-c2ccc(CNC(=O)CN3CCCCC3)cc2)nn1C 19288870 XBGIDUUWVNRGHE-UHFFFAOYSA-N 369.513 2.251 0 40 FEAB COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCN(C)C3)ncc2C1 19587985 MOAMJBIIPQMXJI-INIZCTEOSA-N 366.465 2.032 0 40 FEAB CC[C@H](C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)N1CCCCC1 19746178 QWIDEQWGMSXRRA-QGZVFWFLSA-N 361.490 2.145 0 40 FEAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1C[C@H](C)O[C@H](C)C1 11613530 DXYSJVJARQLNGW-XQQFMLRXSA-N 351.472 2.039 0 40 FEAB O=C(c1cccnc1O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888866904 WOFCFCXWVWSUFJ-KZULUSFZSA-N 358.373 2.038 0 40 FEAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)n1 1888906608 GEUZHVSXIWDGDS-SCLBCKFNSA-N 351.414 2.137 0 40 FEAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1nccnc1N 22376827 HFGSKONPEAMWBV-SNVBAGLBSA-N 368.349 2.192 0 40 FEAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccc(Cl)cc1)CCO2 2037983991 NACDDQWYNLUKMY-GOSISDBHSA-N 352.862 2.178 0 40 FEAB C[C@]1(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)CC=CCC1 1565545384 HLOZITVTUBPRFG-MFCZKXCZSA-N 370.453 2.168 0 40 FEAB COc1ccccc1C1=NN2C(=NC(C)=C(C(N)=O)[C@H]2c2ccccc2)N1 4279790 IQDRAMOENDMYNY-QGZVFWFLSA-N 361.405 2.132 0 40 FEAB O=C1CCc2cc(S(=O)(=O)NCc3cccs3)cc3c2N1CCC3 4850735 XTVJVTQLMDWJPP-UHFFFAOYSA-N 362.476 2.452 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c1 8895916 NOFUUEDVVJGZTO-AWEZNQCLSA-N 370.496 2.347 0 40 FEAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1F 11744322 DFTMPXHVKBQVJI-UHFFFAOYSA-N 371.347 2.405 0 40 FEAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cccc(OC)c2)c1C 17287785 WPISNJDVJNBCFA-UHFFFAOYSA-N 365.455 2.228 0 40 FEAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc3ccc(F)cc3s2)CC1 2086868900 YMUXTZZPEVERAP-GFCCVEGCSA-N 350.463 2.471 0 40 FEAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2cccnc2)on1 40105426 GCQDBCXVHIVMOM-UHFFFAOYSA-N 366.377 2.364 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)c1 40155283 XLYBGTVVAYOFTK-CABCVRRESA-N 361.442 2.351 0 40 FEAB COc1c2c(cc3c1[C@@H](CC(=O)CCn1cccn1)N(C)CC3)OCO2 20111921 FQUNUXZWGCFXRJ-OAHLLOKOSA-N 357.410 2.199 0 40 FEAB biogenic CC(C)N(C(=O)COC(=O)Cn1ncc(=O)c2ccccc21)C1CCCC1 50592531 QLVGXPYXPXKMCM-UHFFFAOYSA-N 371.437 2.119 0 40 FEAB CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20678038 WEJQTIOSLZXODD-CQSZACIVSA-N 352.232 2.304 0 40 FEAB C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)CCC2 32778543 JQVBJXZZWRGDSY-QWQRMKEZSA-N 371.481 2.313 0 40 FEAB CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2cc(F)cc(F)c2)C1 103475901 ARNALWFLKKBWMP-CQSZACIVSA-N 363.412 2.072 0 40 FEAB Cc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1S(C)(=O)=O 54113711 VCLVRVJEBVSNJD-UHFFFAOYSA-N 370.434 2.291 0 40 FEAB Cc1cc(C)n(CC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)n1 79476842 QXTQCLSZWKTMGC-UHFFFAOYSA-N 365.393 2.425 0 40 FEAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 106577521 IRWHDSMPCUYEBU-HOTGVXAUSA-N 359.401 2.382 0 40 FEAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NCCc1ccccc1 3507056 OXSCFRUVWQRYTQ-XMHGGMMESA-N 366.417 2.066 0 40 FEAB CCOC(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3559856 TZQWXUVPPWYRQX-UHFFFAOYSA-N 351.362 2.363 0 40 FEAB CCn1c(SCC(=O)NCc2ccco2)nc2c(c1=O)S[C@@H](C)C2 4101755 PQMBDQYAOVQFLB-JTQLQIEISA-N 365.480 2.301 0 40 FEAB O=C(Nc1nnc(C2=COCCO2)o1)c1ccc(Br)cc1 4264390 QNHWYAAUKFUXPJ-UHFFFAOYSA-N 352.144 2.430 0 40 FEAB CCOC(=O)c1c(NC(=O)CSc2nnnn2CC)sc(C)c1C 4356431 UTGVEPAJOYFZGP-UHFFFAOYSA-N 369.472 2.279 0 40 FEAB CC(=O)c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n(C)c1 25462366 RGONNMSBWDGEQA-UHFFFAOYSA-N 352.394 2.278 0 40 FEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(C)cc1 100395295 VGLRCBKEWISIEM-LHIBYTEYSA-N 350.418 2.359 0 40 FEAB CC(C)NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487082 XRLIYCCVEJIFIW-UHFFFAOYSA-N 354.366 2.458 0 40 FEAB Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCC(=O)O)C1 8623891 MCYBVOGRPLOJLV-HUUCEWRRSA-N 354.410 2.277 0 40 FEAB biogenic,in-vitro NC(=O)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 57839591 UQYBLKFLDQDZIX-UHFFFAOYSA-N 369.465 2.447 0 40 FEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCCC2)CC1 12593594 MVWKMWCGSIFGKP-UHFFFAOYSA-N 365.499 2.287 0 40 FEAB O[C@@H](COc1c(Cl)cccc1Cl)Cn1nnc(-c2cccnc2)n1 58217642 RCNJAKZHPZTDPY-LLVKDONJSA-N 366.208 2.482 0 40 FEAB CCn1cnnc1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 58210432 ZJRKGSSZPGZBSN-KRWDZBQOSA-N 356.474 2.152 0 40 FEAB COc1ccc(/C=C/C(=O)NCCC(=O)NCCOc2ccccc2)cc1 9501889 KURGKRWVMHRDJJ-FMIVXFBMSA-N 368.433 2.410 0 40 FEAB CCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 2140685 JJHUBKXHVOMUDC-UHFFFAOYSA-N 362.879 2.179 0 40 FEAB O=C(Cn1c(=O)cnc2ccccc21)NCc1cccc(Br)c1 45173161 KLBAROXQFQERSP-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc3ncccc3c1)CC(=O)N2 36357250 UJJYRTRMUYDREX-AWEZNQCLSA-N 372.388 2.286 0 40 FEAB CCN(CC)C(=O)CSC1=NC(=O)CC(=O)N1c1ccc(F)cc1 2500270 RTNZGXYWYRNAPD-UHFFFAOYSA-N 351.403 2.047 0 40 FEAB CN(C)CC(=O)Nc1ccc(-c2ccc(NC(=O)CN(C)C)cc2)cc1 3018631 QAFHOPVJMLLFAM-UHFFFAOYSA-N 354.454 2.354 0 40 FEAB CCn1c(-c2ccccc2)nn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S 12813291 LVQHEBSPSWIQAU-AWEZNQCLSA-N 366.512 2.177 0 40 FEAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc2c(c1)OCO2 3463450 LRAZXOIDYMRTLW-UHFFFAOYSA-N 373.409 2.389 0 40 FEAB C[C@@H](NS(=O)(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 8936853 CPNGJKHUYJPNAX-CQSZACIVSA-N 357.435 2.077 0 40 FEAB COc1ccccc1N1CN(C[C@H]2CCCO2)Cn2c1nc(C)c(C)c2=O 38830082 JBAFFHDZDXEQKZ-MRXNPFEDSA-N 370.453 2.416 0 40 FEAB COCc1nc([C@H]2COCCN2C(=O)/C=C/c2cccc(Cl)c2)no1 96000988 UJRITWAJPNMYAM-VBROQKIQSA-N 363.801 2.483 0 40 FEAB CCn1cc(C(=O)Nc2ccc(OC)nc2)c(=O)c2cc3c(cc21)OCO3 71279682 NGOXEZVJSISBLK-UHFFFAOYSA-N 367.361 2.406 0 40 FEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCOC(C)C 39990653 FYWNBEINDZSAAZ-LJQANCHMSA-N 356.470 2.387 0 40 FEAB COC(=O)c1ccoc1COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 14198708 AHCYCOVPXRPUQP-UHFFFAOYSA-N 362.363 2.338 0 40 FEAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1F 6449861 RQGIMTMRTDUWNF-MRXNPFEDSA-N 355.369 2.236 0 40 FEAB CC[C@@H](C)n1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 6852453 JSJYYRXVJNQYLL-MNOVXSKESA-N 362.455 2.304 0 40 FEAB CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 7277472 LVIBWIBSLIOPOF-LJQANCHMSA-N 361.442 2.111 0 40 FEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CCCO1 7952231 DZLJQGPXIMFLMG-MRXNPFEDSA-N 364.442 2.438 0 40 FEAB NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 9531916 GNMDKMSCUBRWHW-UHFFFAOYSA-N 350.440 2.398 0 40 FEAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 8746845 MGQBRRDPNLXINI-DZGCQCFKSA-N 350.484 2.011 0 40 FEAB COc1ccc(CNC(=O)c2cc(=O)n(C)c3ccccc23)cc1OC 72326031 BZTIRRSNQXNPFM-UHFFFAOYSA-N 352.390 2.486 0 40 FEAB biogenic C[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 95951800 UGUSZPPAWNAKPU-DLBZAZTESA-N 366.465 2.105 0 40 FEAB O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(Cl)cc1 95399176 HDCNIWADTYCINT-UKRRQHHQSA-N 364.829 2.231 0 40 FEAB CCOC(=O)c1cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)[nH]n1 95465002 OEBGKCXQOHTRJN-GFCCVEGCSA-N 359.382 2.397 0 40 FEAB Cc1[nH]cc(C(=O)NCCCc2nnc3n2CCCCC3)c(=O)c1Cl 89505470 OVLGEQJOPSGAAJ-UHFFFAOYSA-N 363.849 2.017 0 40 FEAB CN(C)S(=O)(=O)CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 512679167 WXGNUKVXGCLFAO-HXUWFJFHSA-N 372.490 2.442 0 40 FEAB COCCN1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1 72324911 PVRKOGHULJHELM-MRXNPFEDSA-N 373.457 2.060 0 40 FEAB CSCC[C@H]1NC(=S)N(CC2(N3CCSCC3)CCCC2)C1=O 30920768 BUEMNRZOKUTQPX-CYBMUJFWSA-N 373.613 2.186 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2c(OC)cccc2OC)c1 34378356 HMGJKWBNXLPHHF-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cc2)o1 44889745 TVEVARRXDFIHIR-VHDGCEQUSA-N 352.394 2.312 0 40 FEAB CS(=O)(=O)N[C@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 225950245 VDMWXVCWNJZBCF-CQSZACIVSA-N 356.831 2.230 0 40 FEAB COCCCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 40129070 QRVAJRWHUKIPAX-KAMYIIQDSA-N 366.414 2.405 0 40 FEAB Cn1ncc2c(=O)n(Cc3csc(COc4ccc(F)cc4)n3)cnc21 40042775 YIGUQFBVXMCFCE-UHFFFAOYSA-N 371.397 2.353 0 40 FEAB COc1cccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1 96286905 ZFDKCBDRHFWEGX-UHFFFAOYSA-N 360.479 2.244 0 40 FEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCc2ccncc2)CC1 95477175 JMEQWKIWTRJUJQ-UHFFFAOYSA-N 361.449 2.472 0 40 FEAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2C(=O)O)Oc2ccccc21 96111728 YSCZXHGNHYHIMD-LRDDRELGSA-N 366.373 2.023 0 40 FEAB biogenic,in-vitro COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c1 145530166 QTNCZGQLVSHIDR-UHFFFAOYSA-N 366.370 2.372 0 40 FEAB COc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)c1 96230276 SLFUYOOPKMIJKX-UHFFFAOYSA-N 373.497 2.100 0 40 FEAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(Cc1ccccc1F)C2 247967082 GQEJWTOMLJINRW-MRXNPFEDSA-N 364.461 2.302 0 40 FEAB COCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2ccnn21 247823544 DVPMNKWNLNVVEW-MRXNPFEDSA-N 357.410 2.278 0 40 FEAB CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cccc(-c2cnc(N)nc2)n1 257277876 NZWJGOQDBWAQOT-HNNXBMFYSA-N 361.405 2.197 0 40 FEAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 257259275 KXPMZGZIHBSMSJ-KRWDZBQOSA-N 366.465 2.148 0 40 FEAB C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262868422 XJSKLVULCLZENX-NHYWBVRUSA-N 369.439 2.322 0 40 FEAB O=C(Cn1nnc2c1CCCC2)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 654998698 NYVJIDFXNORCKY-CRAIPNDOSA-N 358.417 2.333 0 40 FEAB Cc1nccc(O[C@@H]2CCN(C(=O)c3cncc(Br)c3)C2)n1 585147210 ZJQIMMYBFKXJHC-CYBMUJFWSA-N 363.215 2.236 0 40 FEAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 585111934 DUMQLFYZZYCCFF-GOSISDBHSA-N 362.499 2.078 0 40 FEAB CNC(=O)[C@]1(C)CCCN(CC2(O)CCN(c3cccc(C)c3)CC2)C1 585282519 FMQLOQKXKAKMHS-HXUWFJFHSA-N 359.514 2.174 0 40 FEAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@@H](O)C2)C3)cc1 585103589 HNEUMEMGYIVLCC-RTBURBONSA-N 358.482 2.073 0 40 FEAB Cn1cnc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1 1776001391 QFVZUWQKEHHOPA-UHFFFAOYSA-N 355.442 2.409 0 40 FEAB CNC(=O)NC(=O)COc1c(Br)cccc1Br 49373622 QRQYMADBTMRTHC-UHFFFAOYSA-N 366.009 2.046 0 40 FEAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)C1 632571273 NAWHBUWUQPRYMV-ZIAGYGMSSA-N 366.474 2.378 0 40 FEAB Cc1noc(C)c1CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 1207133888 CCEYGMZWYKPSFW-HZPDHXFCSA-N 361.467 2.044 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(F)cc2)c1 5866990 WMQOUUBKLOJAIU-UHFFFAOYSA-N 361.325 2.416 0 40 FEAB COc1ccc([C@H](NC(=O)Cc2c(C)nn(C)c2C)c2nccn2C)cc1 11053064 GNFLETORYZCPCH-IBGZPJMESA-N 367.453 2.227 0 40 FEAB COc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 12292480 VHEKMENPMSOJDA-SFHVURJKSA-N 371.433 2.441 0 40 FEAB O=C1NC2(CCN(C(=O)c3cccc4nccnc34)CC2)Nc2ccccc21 19374663 DFDVJVSPKMVSSD-UHFFFAOYSA-N 373.416 2.418 0 40 FEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617709 QRLWEMLUOASBKM-GDBMZVCRSA-N 360.483 2.068 0 40 FEAB O=C(CCC(=O)N1CCOCC1)OCC(=O)c1ccc2ccccc2c1 3426454 PWCXOQCGBUWVMV-UHFFFAOYSA-N 355.390 2.205 0 40 FEAB COc1ccc(CNC(=S)Nc2ccc(N3CC[C@H](O)C3)nc2)cc1 1200351966 VLMXKFYLSZLYLT-HNNXBMFYSA-N 358.467 2.148 0 40 FEAB O=C(NCCCN1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6751931 TVQFXKMAVJCIPR-UHFFFAOYSA-N 368.481 2.339 0 40 FEAB O=C(CN1CCOCC1)Nc1nc2ccc(Br)cc2s1 21539815 ZQWMTBPYGJIKSH-UHFFFAOYSA-N 356.245 2.330 0 40 FEAB CCCc1cc(O)nc(SCC(=O)N(CCC(N)=O)c2ccccc2)n1 16752763 VYTDFEHBKQRYNQ-UHFFFAOYSA-N 374.466 2.135 0 40 FEAB CCOc1ccc(Cc2c(SC(=N)N)ncnc2SC(=N)N)cc1 4506595 ULUIWPPDRAVQAP-UHFFFAOYSA-N 362.484 2.437 0 40 FEAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 43941848 WDZZLXRSIXCNBF-UHFFFAOYSA-N 367.833 2.182 0 40 FEAB CC(=O)[C@@H]1[C@H](c2ccccc2OC(F)F)NC(=O)N[C@]1(O)C(F)(F)F 4035160 DSGBODYJDMNJDK-GBIKHYSHSA-N 368.258 2.098 0 40 FEAB CS(=O)(=O)c1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4517902 GYENCAFYAKZERD-UHFFFAOYSA-N 358.375 2.188 0 40 FEAB O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 2087696 JGOUIELVSPTAER-TZMCWYRMSA-N 371.437 2.121 0 40 FEAB biogenic O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1cccnc1-n1cncn1 40094643 PGHMLIPSUDTDNJ-UHFFFAOYSA-N 366.356 2.181 0 40 FEAB CCOc1ccc(OCC(=O)NCc2nncn2-c2ccccc2)cc1 40088208 DTBYCEVJMSXVHB-UHFFFAOYSA-N 352.394 2.361 0 40 FEAB Cc1nn(C)c2ncc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)cc12 30805064 VRFYRYVATLCHHJ-UHFFFAOYSA-N 368.422 2.146 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 40614279 MYYZWJCUBMDFAH-INIZCTEOSA-N 350.440 2.404 0 40 FEAB COC(=O)CNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl 1331245 KVGOOJPGVRLSPG-UHFFFAOYSA-N 372.816 2.385 0 40 FEAB COC(=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1 1484020 AEKPZNDJHWFONI-IBGZPJMESA-N 356.330 2.078 0 40 FEAB biogenic,in-vitro CCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2104581 NZHMWCAONPJEIE-CQSZACIVSA-N 361.394 2.330 0 40 FEAB biogenic CCN(C(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1 3283987 TZNBPZODWXSSHH-UHFFFAOYSA-N 360.435 2.383 0 40 FEAB Cc1cc(C)cc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1 3302207 QRSOXYGHZMWQEF-UHFFFAOYSA-N 365.389 2.346 0 40 FEAB CCCn1c(=O)c2c(nc3n(-c4ccccc4CC)c(C)cn23)n(C)c1=O 4250601 OYJXVCGASNWCDH-UHFFFAOYSA-N 365.437 2.419 0 40 FEAB COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 4280373 DXESCBAEPPJGQR-UHFFFAOYSA-N 373.434 2.013 0 40 FEAB NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338244 KQJLSIJMDNECHL-UHFFFAOYSA-N 367.315 2.153 0 40 FEAB Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4593088 JUFOPKZZFFZRPL-DNBIXMRYSA-N 369.417 2.141 0 40 FEAB CCOC(=O)C1CCN(C(=O)COC(=O)Cc2ccc(Cl)cc2)CC1 4863517 RNFNHQMOPIVCRJ-UHFFFAOYSA-N 367.829 2.227 0 40 FEAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 4884344 GHGUCZXBJJKPPW-UHFFFAOYSA-N 359.407 2.331 0 40 FEAB O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 4902299 SEKSYQQPRXPGKG-UHFFFAOYSA-N 365.499 2.321 0 40 FEAB COC(=O)c1cccc(CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)c1 5555513 DWTOWCNAYSGVMH-UHFFFAOYSA-N 361.419 2.335 0 40 FEAB Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)cc1 6083997 RYMSGWJKGLQVSU-UHFFFAOYSA-N 367.409 2.164 0 40 FEAB O=C(c1ccc(Br)o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 6251690 VNMCQZBGWMGQJX-WDEREUQCSA-N 363.211 2.463 0 40 FEAB CN(Cc1cccc(Cl)c1Cl)C(=O)CN1C(=O)NC(C)(C)C1=O 6559238 BWLOCAWWMOCUEJ-UHFFFAOYSA-N 358.225 2.282 0 40 FEAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 8237084 QFXVPDHAOPKKJJ-CYBMUJFWSA-N 370.421 2.154 0 40 FEAB O=C(c1ccccn1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 8744760 NXROZUKXVUASFN-UHFFFAOYSA-N 357.435 2.069 0 40 FEAB CCOc1ccccc1C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954615 XYIHSIKORHAWHD-UHFFFAOYSA-N 353.378 2.332 0 40 FEAB Cc1nnc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)s1 9661372 YQLSOZQVBGGWMB-UHFFFAOYSA-N 366.406 2.088 0 40 FEAB Cc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1N 9883976 OESVUYBPLBXQJC-GOSISDBHSA-N 354.406 2.334 0 40 FEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1c(C)[nH]c2ccccc12 10255979 JMQPETNVGJOPFX-KRWDZBQOSA-N 361.401 2.363 0 40 FEAB Cn1ncc2c(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)cnc21 10678942 QPLCFLIORGALDA-UHFFFAOYSA-N 373.416 2.363 0 40 FEAB O=C(CN1CCC(c2ccncc2)CC1)NCc1ccc2c(c1)OCO2 12117350 RRHHZFQWCDJWGB-UHFFFAOYSA-N 353.422 2.306 0 40 FEAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NC3CC3)nc2-c2ccco2)on1 12251604 NWMCNTIPNYFLNF-NSHDSACASA-N 354.366 2.306 0 40 FEAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)n1 12735428 MYZRXFZZCSDCMW-UHFFFAOYSA-N 355.373 2.038 0 40 FEAB COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N(C)C)[C@@H]2C(C)C)cc1 13119407 YHGMKICHGBYMLR-XJKSGUPXSA-N 369.487 2.054 0 40 FEAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 13986089 LZPBDASBMJDPPO-OAHLLOKOSA-N 373.478 2.486 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(N2CCCC2=O)cc1 14115016 BCBNAFQKYOOLCJ-UHFFFAOYSA-N 367.453 2.104 0 40 FEAB CCOCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14198455 PEYATWAISSPVQT-UHFFFAOYSA-N 363.483 2.339 0 40 FEAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2cccc(F)c2)CC3)cn1 19239077 DXPWVRAITGFFLM-UHFFFAOYSA-N 351.385 2.233 0 40 FEAB O=C(NC1CCCCC1)[C@H]1C=CCN1S(=O)(=O)c1ccccc1F 19349828 BHQJIRDCBZCCEK-OAHLLOKOSA-N 352.431 2.204 0 40 FEAB COc1ccccc1O[C@H](C)C(=O)N1CCN(CCc2ccccn2)CC1 20897247 NKPKNXKKOUGPDP-QGZVFWFLSA-N 369.465 2.244 0 40 FEAB CCc1ccc(CCOc2ccc(C[C@@]3(O)SC(=O)NC3=O)cc2)nc1 22061089 HDKWBDGQTUQSTO-LJQANCHMSA-N 372.446 2.480 0 40 FEAB in-vitro CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc2c(c1)CCC2 22601082 PPPXXPIQCDMFEL-UHFFFAOYSA-N 372.490 2.285 0 40 FEAB CCCCn1nnnc1COC(=O)CSc1ncnc2sccc12 24108031 YYGBDOZGIOKIFN-UHFFFAOYSA-N 364.456 2.313 0 40 FEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCCCOc1ccccc1 25776645 NAGVLPIQPLFYOI-UHFFFAOYSA-N 373.453 2.217 0 40 FEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1C[C@H](C)O[C@H](C)C1 28654891 YEGGAIALAMTOAD-OZVIIMIRSA-N 354.397 2.355 0 40 FEAB Cn1nc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)ccc1=O 31967531 CSSJBUOMJQBFLU-UHFFFAOYSA-N 363.299 2.237 0 40 FEAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)no1 32781039 OTLAJICNBVZWHJ-GFCCVEGCSA-N 367.402 2.162 0 40 FEAB O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)NCc1ccccc1 32904623 LYRFQFJJRGENMU-UHFFFAOYSA-N 373.403 2.039 0 40 FEAB CN1C(=O)[C@@](O)([C@@H]2C(=O)Nc3ccc(Br)cc32)c2ccccc21 36245351 CCYAZZILOKJIMM-YOEHRIQHSA-N 373.206 2.349 0 40 FEAB COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)O)cc1Br 37435104 DDGBHUXVMUBSBP-GFCCVEGCSA-N 356.216 2.466 0 40 FEAB Cc1cccc(C)c1OCCNC(=O)Cn1cnc2ccc(F)cc2c1=O 40113737 FYDMROZTZNCNLQ-UHFFFAOYSA-N 369.396 2.348 0 40 FEAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2 40386755 QFNVPESHBSMHJM-QMMMGPOBSA-N 354.197 2.490 0 40 FEAB O=C(NC[C@@H]1CCOC1)c1cnn(-c2ccc(Br)cc2)c1 44519799 BQPQFKJEUIWWLL-NSHDSACASA-N 350.216 2.401 0 40 FEAB CCOC(=O)N[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)C(C)C 47932325 GDESICYVZHYBLM-SJORKVTESA-N 365.474 2.185 0 40 FEAB COc1ccc(CNC(=O)CN2CCN(c3ccccc3)CC2)cc1OC 54529725 UVWHLHIVVLXVTB-UHFFFAOYSA-N 369.465 2.142 0 40 FEAB COc1ccc(CNC(=S)Nc2ccc(N3CCOCC3)nc2)cc1 55031862 VCYARSGZIPXDSC-UHFFFAOYSA-N 358.467 2.413 0 40 FEAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(CCN2CCOCC2)cc1 56039304 AEMDFJAWJZYFLQ-UHFFFAOYSA-N 361.486 2.052 0 40 FEAB COCCOc1ncccc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 56092239 FDLGNULCLFYCCQ-UHFFFAOYSA-N 357.345 2.079 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 56094875 WTMIQTDDYMDFQD-UHFFFAOYSA-N 373.478 2.227 0 40 FEAB CC(C)OCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O 61718299 INBDRCGKEIPKII-UHFFFAOYSA-N 370.409 2.084 0 40 FEAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@@H](CN2CCOCC2)C1 69970730 BDZQBWOSECTJDR-INIZCTEOSA-N 354.454 2.261 0 40 FEAB C[C@H]1CN(c2nc(O)c3c(n2)CN(CCc2ccccc2)CC3)C[C@@H](C)O1 72335558 KQXAHCMYRGGPLN-IYBDPMFKSA-N 368.481 2.397 0 40 FEAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1 72373841 XJEMLOOEGQWWKS-OAHLLOKOSA-N 368.485 2.229 0 40 FEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCCCCC1 72403927 HUEWWOPVQWODMP-HNNXBMFYSA-N 353.488 2.312 0 40 FEAB CC(C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 72404553 DMTRPQAQRMPNNC-ZDUSSCGKSA-N 352.866 2.085 0 40 FEAB COc1ncccc1CNC(=O)Nc1cccn(CC(F)(F)F)c1=O 75110601 CBQBATNYMLBNPT-UHFFFAOYSA-N 356.304 2.136 0 40 FEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@H](Oc2cnccn2)C1 77265799 MEEHWPYQKSAIMR-CQSZACIVSA-N 367.327 2.415 0 40 FEAB biogenic,in-vitro COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 78581720 KZNYROOSWQJAKG-GYTBAZASSA-N 352.475 2.118 0 40 FEAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N[C@H]1CCCC[C@@H]1CO 81476700 VXQFFBNUDFCNMF-OLZOCXBDSA-N 361.364 2.373 0 40 FEAB Cc1cc([C@H](O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)o1 85561866 ZIPMZGUUABLCRX-OAHLLOKOSA-N 367.423 2.070 0 40 FEAB CNS(=O)(=O)[C@H]1CCN(Cc2nc3ccccc3c(C)c2Cl)C1 89568321 JYAWJMQHISRMJK-LBPRGKRZSA-N 353.875 2.320 0 40 FEAB CC(C)(C)N1C[C@H](C(=O)Nc2nc(Cc3ccc(F)cc3)n[nH]2)CC1=O 95472263 HEADITJFWMRHGV-GFCCVEGCSA-N 359.405 2.120 0 40 FEAB CO[C@@H]1CCN(C2CCOCC2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 96209904 ZIQRNZLYUDRSSB-RCCFBDPRSA-N 351.516 2.152 0 40 FEAB O=C(Cc1ccc(F)cc1)N1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96240921 CTYGJZGFRDGFFA-GOSISDBHSA-N 374.456 2.246 0 40 FEAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cc1F 96245507 WDKVWJUIFYRWON-ZIAGYGMSSA-N 361.442 2.495 0 40 FEAB COCC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CCN2C 96263345 QOARVSFHCBSAPO-UHFFFAOYSA-N 372.444 2.099 0 40 FEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C 96362639 IYBPHHNORUGAFR-QGZVFWFLSA-N 364.442 2.138 0 40 FEAB NC(=O)CNC(=O)c1cccc(OC(=O)Cc2cccc3ccccc23)c1 97002099 WUABFWIKSXKPOT-UHFFFAOYSA-N 362.385 2.203 0 40 FEAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082340 IIXZMSBXPZPYQB-UFRVSRDASA-N 364.445 2.305 0 40 FEAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1OC 107237325 UORKFJGDAMFGPQ-UHFFFAOYSA-N 367.423 2.200 0 40 FEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H](C1CC1)N1CCCC1 123190211 HBBCGWKTOGYSAY-KDOFPFPSSA-N 364.511 2.484 0 40 FEAB NC(=O)c1ccccc1NC(=O)C1CCN(c2cc(C3CC3)ncn2)CC1 206653849 SSKDWPIHKXCBRK-UHFFFAOYSA-N 365.437 2.308 0 40 FEAB CCCCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217650223 ILBTWGCXTPVSMN-ZDUSSCGKSA-N 370.471 2.444 0 40 FEAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)ccc1C 223236770 AYXXXLAJIDZWNM-CQSZACIVSA-N 368.499 2.182 0 40 FEAB COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N1C(=O)CCC1=O 225316873 WTSWOIHEEACBMW-UHFFFAOYSA-N 374.418 2.458 0 40 FEAB CCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1cc(C)ccc1C 225932935 WPMYKTAEDORUCY-UHFFFAOYSA-N 361.467 2.025 0 40 FEAB O=C(COc1ccccc1F)N1CCN(c2cc3c(nn2)CCCC3)CC1 238824445 DKEBPPNWJXWIRB-UHFFFAOYSA-N 370.428 2.222 0 40 FEAB O=C(NCC[C@H]1CCOC12CN(Cc1ccccc1F)C2)c1ccno1 247516653 VXOQRBRKHKBBIY-HNNXBMFYSA-N 359.401 2.225 0 40 FEAB O=C(C1CCSCC1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247858828 LSRKCAIQDTVUBY-QGZVFWFLSA-N 369.527 2.333 0 40 FEAB Cc1ncc(CNS(=O)(=O)C2CCCCC2)c([C@H]2CCCN2C)n1 257221383 DOUOZOGMHSFPLW-MRXNPFEDSA-N 352.504 2.304 0 40 FEAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCC(N)=O 409022590 BTVKTFFYDASBBK-RIYZIHGNSA-N 364.423 2.394 0 40 FEAB CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409127804 RQGFCQLDBAOXAP-AWEZNQCLSA-N 362.451 2.241 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613060 OBDLWJGBZKGBAZ-CQSZACIVSA-N 374.372 2.097 0 40 FEAB O=C(Cc1noc2ccccc12)NCc1ccnc(N2CCCC2=O)c1 575617861 AJNJITWUHNGWEL-UHFFFAOYSA-N 350.378 2.209 0 40 FEAB Cc1ncsc1CCS(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 583244734 BKJVRCSAOMLZOR-ZDUSSCGKSA-N 357.545 2.130 0 40 FEAB O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288248 SHAYEJUOVQDTKC-QKYXUNIQSA-N 353.422 2.047 0 40 FEAB COc1ccccc1OCC(=O)NCCNC(=O)N[C@@H]1CCCC[C@H]1C 586426124 BJMMRXLVPZVQBD-HUUCEWRRSA-N 363.458 2.068 0 40 FEAB CCn1cnnc1[C@H]1CCCN(C(=O)c2csc(-c3cnccn3)n2)C1 600170492 FLNIHWIVXGJYFB-LBPRGKRZSA-N 369.454 2.231 0 40 FEAB O=C(O)c1cc2cc(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)ccc2o1 630171932 ZQYKFNNJSBXQPA-BDJLRTHQSA-N 355.350 2.371 0 40 FEAB O=C(O)c1ccc(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c(F)c1 630297273 DGBIXKKKNNXUIB-GFCCVEGCSA-N 351.374 2.182 0 40 FEAB COc1cccc(N2C[C@H](NC(=O)NC[C@H]3CCC[C@H](C)O3)CC2=O)c1 685938990 SNRMEDWJRHDBEE-JJRVBVJISA-N 361.442 2.057 0 40 FEAB O=C(O)CN1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 958742007 MUFBVKLFEGHAHY-UHFFFAOYSA-N 352.390 2.294 0 40 FEAB O=C(c1cc(Br)cs1)N1CCCN([C@H]2CCOC2)CC1 1565522276 WXOMIYHCEBPSGQ-LBPRGKRZSA-N 359.289 2.447 0 40 FEAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 1565554312 OGZQZBZFFIRFDG-WKILWMFISA-N 360.502 2.252 0 40 FEAB O=C(c1ccccn1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615124094 ULQIUIKVZPYEOP-FQEVSTJZSA-N 369.396 2.259 0 40 FEAB O=C(c1cncc(F)c1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850021 QCVXGLJWECAQPD-HUUCEWRRSA-N 353.401 2.097 0 40 FEAB O=C([C@H]1CCCO1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888864186 KVJRQZUMCXOSTE-QGZVFWFLSA-N 370.453 2.403 0 40 FEAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc2nccc(C)n2n1 24657846 JIHPXUOBIOMPIS-UHFFFAOYSA-N 366.425 2.232 0 40 FEAB CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1C 907035 FGFRBRBMJAPZHU-UHFFFAOYSA-N 353.473 2.169 0 40 FEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2560871 JYOQCCFYSJPSLC-LSDHHAIUSA-N 362.426 2.198 0 40 FEAB CN(CC(=O)N1CCCC1)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 57281318 BRRKOJMRBUAHHP-UHFFFAOYSA-N 372.450 2.299 0 40 FEAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)cc1C 57491210 MQWBZMFYRAYZRD-UHFFFAOYSA-N 371.462 2.355 0 40 FEAB CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1C[C@@H](C)O[C@H](C)C1 58380739 WVUCXHCFROEYSO-MDZRGWNJSA-N 371.485 2.399 0 40 FEAB COc1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1OC 2377761 MGFFVIOSFWOSLI-ZROIWOOFSA-N 371.443 2.444 0 40 FEAB CCOC(=O)Cc1cs/c(=N\c2ccc(OCC)cc2)n1CCO 22855515 AVKVQGNGZAPGMU-ZCXUNETKSA-N 350.440 2.279 0 40 FEAB Cc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108324938 UZUQNEUUYHKYPF-CVYDXHPNSA-N 372.465 2.209 0 40 FEAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2F)n1 100737738 XDCMGZWZOQIKEO-IRXDYDNUSA-N 357.429 2.249 0 40 FEAB CCc1cccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2CC)c1 12413499 URUVXKGMWRRULO-UHFFFAOYSA-N 357.439 2.433 0 40 FEAB biogenic,in-vitro O=S(=O)(c1ccccc1)N1CCN(c2cnc3ccccc3n2)CC1 26135114 KARWAZYSRISRLR-UHFFFAOYSA-N 354.435 2.141 0 40 FEAB Cc1ccc(-n2cc(C(=O)NCc3ccnc(-n4cccn4)c3)nn2)cc1 48231014 GDICVLINGQSJQK-UHFFFAOYSA-N 359.393 2.086 0 40 FEAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 3452733 IVJUEKIOACGCHE-CYBMUJFWSA-N 362.426 2.424 0 40 FEAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1O 12945265 GULWBMIENNKDBG-UHFFFAOYSA-N 374.462 2.497 0 40 FEAB Cc1ccnc2nc(C(=O)NCC3CCN(Cc4ccccc4)CC3)nn12 63080521 QGRXKTWXXHGKMX-UHFFFAOYSA-N 364.453 2.075 0 40 FEAB Cc1nc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cnn(C)c2n1 63248326 LQKAZOYNSJFNNF-MRXNPFEDSA-N 366.425 2.401 0 40 FEAB COc1cc(OC)c2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc2c1 4000437 XMMBQWDYBPCLJR-UHFFFAOYSA-N 368.389 2.373 0 40 FEAB biogenic CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 6011555 XYISKGARIJOICK-QROSGCPLSA-N 355.774 2.338 0 40 FEAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)[C@H]1CCCO1 49951214 LRIUVFFTYSXVQD-LWMMSDEHSA-N 352.437 2.080 0 40 FEAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCNC1=O 5183603 XNLKODOYJZZBBK-UHFFFAOYSA-N 356.451 2.395 0 40 FEAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1 6317177 WXMNCIKCDNGODW-UHFFFAOYSA-N 372.493 2.333 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 14014504 VEVITAKOGZJNKO-KRWDZBQOSA-N 358.463 2.316 0 40 FEAB O=C1C(=O)N(CN2CCc3sccc3C2)C(=O)N1Cc1cccs1 14141037 QCWYXZNNZKSQEV-UHFFFAOYSA-N 361.448 2.116 0 40 FEAB COc1cccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 14164604 YAZOSLGHVQWDET-UHFFFAOYSA-N 374.462 2.337 0 40 FEAB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCOC3)cc2)cc1 66899580 OKQLHVNERQJGRX-CQSZACIVSA-N 360.435 2.307 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)Nc3nncs3)n2C)cc1 4816358 CKAVBGBPXXWJAR-UHFFFAOYSA-N 362.440 2.073 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(C)cc1 8061505 LPCAUHVLSXEELF-UHFFFAOYSA-N 362.451 2.435 0 40 FEAB CCOC(=O)c1cnc(SCCCn2c(=O)[nH]c3ccccc32)nc1N 8131855 KGHZCWJJJIXKRW-UHFFFAOYSA-N 373.438 2.061 0 40 FEAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1ccc(F)cc1 22075270 MHVMTYRCUUEZCJ-HNNXBMFYSA-N 362.445 2.473 0 40 FEAB CN(CCOc1ccccc1)CC(=O)Nc1ccccc1N1CCOCC1 8707238 LGWUHGIVAPAENN-UHFFFAOYSA-N 369.465 2.473 0 40 FEAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 8724597 GYROGGDMFIPNRQ-OAHLLOKOSA-N 363.439 2.392 0 40 FEAB COc1cc(C(=O)O)cc(NS(=O)(=O)c2c(F)cccc2F)c1OC 72306287 SEJCZIUWYHHYCY-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB COc1ccc(CNC(=O)CCn2cc(Br)cn2)cc1OC 27968903 VNUAATPTSCETRR-UHFFFAOYSA-N 368.231 2.369 0 40 FEAB Cc1c(NC(=O)N2CCC[C@@H](C)[C@@H]2CO)c(=O)n(-c2ccccc2)n1C 89852381 QDQHBUOGIVXGJM-CJNGLKHVSA-N 358.442 2.109 0 40 FEAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 22432035 JGXGTLBNLVIFKO-AWEZNQCLSA-N 362.451 2.339 0 40 FEAB CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 531288636 UAWLDWGNKBCZNM-UHFFFAOYSA-N 368.393 2.488 0 40 FEAB O=C(COc1ccc(F)cc1)NCCN1CCO[C@@H](c2ccccc2)C1 36699905 ZZEXWZGKRGXWPQ-LJQANCHMSA-N 358.413 2.394 0 40 FEAB Cc1nc2ccnn2cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 560080496 PNYCZQXTPVCQIM-UHFFFAOYSA-N 365.437 2.165 0 40 FEAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)n1 79489083 CBRMCXNEBRIPLT-UHFFFAOYSA-N 369.469 2.289 0 40 FEAB NC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218662403 IVOJQXDNJLFQSY-OWCLPIDISA-N 354.834 2.075 0 40 FEAB CC[C@@H](Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)[nH]1)C(=O)O 224975559 CGCBVFXRFKBTPF-LLVKDONJSA-N 353.400 2.453 0 40 FEAB COCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 222836519 ZTOYTTCQZIZFRC-UHFFFAOYSA-N 372.421 2.261 0 40 FEAB COCCNC(=O)[C@]1(C)Oc2ccccc2N(Cc2ccccc2F)C1=O 41070664 PBDJLXQWEASQDN-FQEVSTJZSA-N 372.396 2.273 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(Cl)cc1 44919443 HBXSPYXDDUNUGO-INIZCTEOSA-N 371.824 2.140 0 40 FEAB CC(C)(C)NC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 225896339 OVQXTJRWSXXEEJ-UHFFFAOYSA-N 363.409 2.417 0 40 FEAB CCN(Cc1ncc(C(=O)O)c(C)n1)S(=O)(=O)c1ccc(Cl)cc1 49468473 ZGMTZRBPGVXAAQ-UHFFFAOYSA-N 369.830 2.347 0 40 FEAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCCCCO3)n(C)c2)C1 530361827 WVLUWIFCNGYFGY-AWEZNQCLSA-N 369.487 2.003 0 40 FEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1cnc2ccsc2c1=O 225773442 NUKMWTGPWNOOJY-DUXPYHPUSA-N 369.402 2.016 0 40 FEAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc(C)c2)s1 225839765 UAWGFOXVTXBPSB-UHFFFAOYSA-N 368.484 2.106 0 40 FEAB Cn1cc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cn1 514289924 NNOHHAITGJBNKN-IRFCIJBXSA-N 368.481 2.013 0 40 FEAB biogenic,in-vitro C[C@@](O)(CN1CCC(Oc2cccc(Br)c2)CC1)C(=O)O 573452342 LKVDXLRBKQMQPE-OAHLLOKOSA-N 358.232 2.128 0 40 FEAB CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 40105410 GLMRVHRLNFLSNC-CYBMUJFWSA-N 362.451 2.160 0 40 FEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NCc1ccncc1 225738497 WCMILVUUADZJNF-UHFFFAOYSA-N 372.222 2.475 0 40 FEAB O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@@H](N2CCCC2=O)C1 581982823 XQAMHMDLYCTWON-LLVKDONJSA-N 360.443 2.152 0 40 FEAB COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1 96061108 PVDWJSPXAGSCQK-CQSZACIVSA-N 358.471 2.079 0 40 FEAB Cn1cnc2c1C[C@@H](C(=O)NCc1ccccc1)C(=O)N2Cc1ccccc1 96147068 VATVNSPJLUSBHI-SFHVURJKSA-N 374.444 2.442 0 40 FEAB CNc1cc(CC[C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ccn1 257245941 IRUQYCITZAUKEJ-INIZCTEOSA-N 358.442 2.131 0 40 FEAB CN(C)c1cccc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257239207 HOJPIYLPQRKDEW-LJQANCHMSA-N 355.438 2.492 0 40 FEAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N1CCC(O)CC1 604664268 XNFCJRMDVYQRAP-ZDUSSCGKSA-N 357.376 2.450 0 40 FEAB C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(C)c3ccccc32)CS1(=O)=O 665056245 SQRHZVPZTPGPTP-IJEWVQPXSA-N 365.499 2.223 0 40 FEAB Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCNC(N)=O)CCO3)cc1 67650654 ORPCAPKQXMDQPN-UHFFFAOYSA-N 369.421 2.147 0 40 FEAB Cc1ncsc1C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390832014 WQFCOFBMPIFMHK-CQSZACIVSA-N 350.465 2.454 0 40 FEAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN1C(=O)/C=C/CN(C)C 585292279 KDLMFLPASYALOS-YXMGTMDOSA-N 366.469 2.705 0 40 FEAB CCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@@H]1CCS(=O)(=O)C1 54815929 NJJIJUCFHMECKJ-CYBMUJFWSA-N 366.483 2.272 0 40 FEAB O=C(NCCC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)C1CCCC1 55800494 ZRQZIDXRGKMQEE-SFHVURJKSA-N 359.470 2.286 0 40 FEAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C)s3)C2)cc1 38666539 WZURTMHJAGZBJN-LBPRGKRZSA-N 353.469 2.423 0 40 FEAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 677959457 QYYDJHMDORJYAV-BDXSIMOUSA-N 359.470 2.368 0 40 FEAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccnn1C)c1ccccc1O2 12086451 BPNPHRWDXZSTQP-QRWLVFNGSA-N 368.437 2.055 0 40 FEAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCC[C@@H]3C)n2)c(C)o1 12146810 QBCKIUAOSRBESB-ZBEGNZNMSA-N 358.442 2.397 0 40 FEAB Cc1nc(C)c(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)o1 12326198 YPKSOEXCBUKQBI-UHFFFAOYSA-N 361.417 2.144 0 40 FEAB Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960278 RCWKFRDWFNFKGV-YVSFHVDLSA-N 369.396 2.354 0 40 FEAB Cc1cc2c(cc1NC(=O)CCn1ncc3c1CCCC3)n(C)c(=O)n2C 19125848 AKBYTMHTIHLRJE-UHFFFAOYSA-N 367.453 2.290 0 40 FEAB O=c1[nH]/c(=C\c2ccc(Cl)cc2)c(=O)[nH]/c1=C\c1ccc(Cl)cc1 6221208 AOQJMDOQAQNFJY-VULZFCBJSA-N 359.212 2.028 0 40 FEAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)n1 1888897347 ILKNTSIRJHDKSD-CALCHBBNSA-N 374.448 2.086 0 40 FEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2SC)nn1 1888920872 OVCJKHDCGUPTBO-OAHLLOKOSA-N 373.438 2.180 0 40 FEAB Cc1cc(N2CCN(c3nc4ccccc4nc3C)CC2)nc(N(C)C)n1 1889180521 WOYLGJWPMYDYEH-UHFFFAOYSA-N 363.469 2.429 0 40 FEAB COCCN1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1 240002206 POVCNMFCKAULNU-UHFFFAOYSA-N 372.435 2.333 0 40 FEAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cc(C2CC2)n[nH]1 244969046 GVYATRAENZESAS-UHFFFAOYSA-N 365.422 2.383 0 40 FEAB Cc1cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n2nccc2n1 2087044652 TWPRCNIQVJKAOF-UHFFFAOYSA-N 372.436 2.216 0 40 FEAB C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)(c2ccccc2)CC1 1653998121 WSFLPMCZFOYHOO-RCCFBDPRSA-N 354.450 2.169 0 40 FEAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]32)CC1 1565551951 MMMRJUBKWYGHKD-WMZOPIPTSA-N 371.529 2.151 0 40 FEAB Cc1cccc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1 2055772771 BHUCLHMTJYOUFI-UHFFFAOYSA-N 353.470 2.104 0 40 FEAB Cc1cccc(OCCNC(=O)N(CCC(N)=O)Cc2ccccc2)c1 40023942 QLSDCBKKRCBPOZ-UHFFFAOYSA-N 355.438 2.461 0 40 FEAB COc1ccc(CN2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)cc1 101359103 VMSAHJGSAMXLGR-RDJZCZTQSA-N 354.337 2.122 0 40 FEAB O=S(=O)(c1cccc(Cl)c1F)N1CCN(Cc2ccncc2)CC1 32406130 NKTIIGMAHHFZAX-UHFFFAOYSA-N 369.849 2.381 0 40 FEAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)N3CCOCC3)o2)c1 32911250 ACWOBIBFFKPMTJ-CYBMUJFWSA-N 363.439 2.296 0 40 FEAB CCNC(=O)NC(=O)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 23864797 JHUXKYANHFWTRR-QGZVFWFLSA-N 355.394 2.092 0 40 FEAB CCn1c(=O)c2ccccc2n(CC(=O)N(C)[C@H](C)c2cccs2)c1=O 24237130 HMEANDNLFMWXGV-CYBMUJFWSA-N 371.462 2.464 0 40 FEAB O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2CCc3cn[nH]c3C2)CC1 79718593 GIBSJJWKKLLNLV-AWEZNQCLSA-N 373.501 2.138 0 40 FEAB CCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4133488 NXVAWHXFFKFMKZ-UHFFFAOYSA-N 360.527 2.403 0 40 FEAB COCCSc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1 4510424 UPIDFQKGSYNBBE-UHFFFAOYSA-N 352.441 2.487 0 40 FEAB CCC(=O)N1[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@H]2CCCC[C@H]21 4740197 TYQWPORPLARDRY-XHSDSOJGSA-N 361.417 2.203 0 40 FEAB CCOc1cccc2c1OCC(C(=O)OCCNC(=O)c1ccncc1)=C2 56218070 LBRJIADEJKDNPI-UHFFFAOYSA-N 368.389 2.229 0 40 FEAB Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1=O 56363492 RAYSAJRHZXMECJ-GOSISDBHSA-N 363.417 2.064 0 40 FEAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 4902862 AHJSGWBERHVOFW-UHFFFAOYSA-N 355.847 2.456 0 40 FEAB CCOc1ccc(CCN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1OCC 102015891 JFSDGUHUVNAULE-UOVPBQLFSA-N 359.422 2.189 0 40 FEAB CC(C)N(CC(N)=O)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8307458 ZSESKMDKSXCICB-UHFFFAOYSA-N 356.451 2.347 0 40 FEAB Cc1cnn(-c2ccc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc2)c1 44522886 KSWYUSCKBYCVQQ-UHFFFAOYSA-N 352.438 2.312 0 40 FEAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@@H]1CCCO1 57905398 VAOKIMGPOZQIJJ-NSHDSACASA-N 359.348 2.005 0 40 FEAB C[C@H]1CCCN(C(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)C1 57948724 KRILHRMPQWBELI-HNNXBMFYSA-N 358.486 2.446 0 40 FEAB C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H](C)O1 27339618 ZFOIRJHAPRYDNM-RUPPMWDTSA-N 360.454 2.185 0 40 FEAB O=C(NCCn1cc(Br)cn1)c1cccc(Cn2cccn2)c1 28240378 XEOCBLQMZJJLKM-UHFFFAOYSA-N 374.242 2.320 0 40 FEAB CC(=O)c1c[nH]c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 9980963 MDQYQINXSALODR-UHFFFAOYSA-N 353.422 2.386 0 40 FEAB Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1C 58345469 RQDNUEWWJJRLMC-RYUDHWBXSA-N 351.472 2.228 0 40 FEAB Cc1cccc([C@@H](CNc2cnn(C)c(=O)c2Cl)N2CCOCC2)c1 29626763 KBVIHDADALUWMJ-MRXNPFEDSA-N 362.861 2.228 0 40 FEAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1 48250069 PRMYJAAEUHEXLM-UHFFFAOYSA-N 371.422 2.097 0 40 FEAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCCC2=O)cc1 12768460 VINVXLUPIHMUJN-UHFFFAOYSA-N 367.405 2.191 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3)CC2)cc1 12772756 OMNBEEWPOMGWSO-UHFFFAOYSA-N 366.465 2.461 0 40 FEAB CC(=O)N[C@H](CC(=O)O[C@H](C)C(=O)Nc1cc(C)on1)c1cccs1 12704773 OSPPWNIJRALDSL-ZYHUDNBSSA-N 365.411 2.182 0 40 FEAB COc1ccccc1C1(O)C[C@H]2CC[C@H](C1)N2c1ncnc2[nH]cnc12 100159734 IKSYRYBGTSRKBA-CHWSQXEVSA-N 351.410 2.381 0 40 FEAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 62303449 RWDZZAIYAHJPGK-LBPRGKRZSA-N 366.414 2.240 0 40 FEAB Cc1cc([C@H]2CCCN2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)no1 12848110 JMBAUIQBBCCDSK-MRXNPFEDSA-N 363.439 2.162 0 40 FEAB O=C(c1cc(F)ccc1Br)N1CCC(N2CCNC2=O)CC1 48401985 JVELIRMIXJJENY-UHFFFAOYSA-N 370.222 2.218 0 40 FEAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 12999636 PKOPXOQLBMIJHF-UHFFFAOYSA-N 360.435 2.066 0 40 FEAB Cc1ccc(/C=C2/SC(=O)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 19790483 NZPSZCCNDVIEJE-DTQAZKPQSA-N 373.478 2.195 0 40 FEAB CC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)c1cnn(CC)c1 72305865 YUEHKGGAAFTZII-MRXNPFEDSA-N 358.446 2.407 0 40 FEAB Cc1cccc(OCCNC(=O)Cn2nc(-c3ccccc3)oc2=O)c1 14095291 WGMRTORWNRLIFZ-UHFFFAOYSA-N 353.378 2.007 0 40 FEAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(C)(=O)=O)cc1 4549871 YHIDQURNQRLZFS-UHFFFAOYSA-N 362.407 2.098 0 40 FEAB COc1cccc(N2Cc3nc(=O)n(Cc4ccc(F)cc4)n3C2=O)c1 15085569 SCJRFJOXLBJFJS-UHFFFAOYSA-N 354.341 2.229 0 40 FEAB Cc1cccc(-n2c(SCc3nnc(C)o3)nnc2N2CCOCC2)c1 6994018 SVCAEXNABKWXCD-UHFFFAOYSA-N 372.454 2.396 0 40 FEAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)c2ccccc2O1 7253580 QMERMCFQFKJGEF-QGZVFWFLSA-N 357.385 2.086 0 40 FEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1c(=O)cnc2ccccc21 16781126 GGAZGSXAVRINFR-UHFFFAOYSA-N 373.416 2.241 0 40 FEAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 17261344 NIPXFWMHFYVKAS-UHFFFAOYSA-N 374.418 2.277 0 40 FEAB Cc1cccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1 8412048 UUZAGWRLHPWDKN-UHFFFAOYSA-N 366.373 2.163 0 40 FEAB CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCc2ccccc21 8540946 LPHUWAIDXKTJAC-INIZCTEOSA-N 355.438 2.387 0 40 FEAB CCc1noc(CN2CCN(c3ccc(Br)cn3)CC2)n1 96812210 LDQFNKAMKRIRRH-UHFFFAOYSA-N 352.236 2.112 0 40 FEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 95457904 LAODLZYLOPVATN-OXHZDVMGSA-N 364.408 2.353 0 40 FEAB CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 9157058 BOZQVZBEYMMLRV-UHFFFAOYSA-N 353.426 2.075 0 40 FEAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 33890519 YMKLWIDUOHMMOA-UHFFFAOYSA-N 362.407 2.257 0 40 FEAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 38679714 SDPLXOOYOPPMSC-KBPBESRZSA-N 365.455 2.347 0 40 FEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 44839877 TWOSEGYVYWYIFO-CYBMUJFWSA-N 355.394 2.044 0 40 FEAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 225399078 OPVPAIYYGSCMDF-HNNXBMFYSA-N 365.437 2.246 0 40 FEAB C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)n1nnc2ccccc2c1=O 44450409 LAIIHCTYIMJQHT-JTQLQIEISA-N 355.423 2.327 0 40 FEAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2ccc(F)cc2)c[nH]1 225785469 PQGNMPODVICMHR-HNNXBMFYSA-N 352.369 2.191 0 40 FEAB CN1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 225785258 KOBPOPSPYHRELL-UHFFFAOYSA-N 367.272 2.355 0 40 FEAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224637670 LIHRWJYMMBQHFO-UHFFFAOYSA-N 365.407 2.292 0 40 FEAB C[C@@H](CNC(=O)C1=NO[C@]2(CCN(c3ncccn3)C2)C1)c1ccccc1 96225732 JAVJXAJYQRQLEN-MGPUTAFESA-N 365.437 2.122 0 40 FEAB COc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1 96147022 WMNQZSUFBYVESM-UHFFFAOYSA-N 359.451 2.095 0 40 FEAB Cn1nncc1CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 585083742 FKDLBAPSKINZFC-UHFFFAOYSA-N 370.862 2.126 0 40 FEAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2cnc(Nc3ccccn3)cn2)C1 257290930 QEYNHPUNMNFXMH-AWEZNQCLSA-N 363.425 2.433 0 40 FEAB O=C(c1ccccc1C(F)(F)F)N1CCC(N2C(=O)COC2=O)CC1 253407271 VUGYMSBKTRIWRG-UHFFFAOYSA-N 356.300 2.289 0 40 FEAB Cn1ncc2c(N3CCC(OCc4ccccc4F)CC3)nc(N)nc21 656151582 KYSYBYJSOSRJMN-UHFFFAOYSA-N 356.405 2.270 0 40 FEAB Cc1nc(-c2ccccc2NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cs1 626548197 WCYLXKXKEOXIBN-HZPDHXFCSA-N 370.438 2.160 0 40 FEAB CCn1nccc1-c1nc(C2CCN(C(=O)c3ccc(O)nc3)CC2)no1 390829432 YPXYHADCWYVNHA-UHFFFAOYSA-N 368.397 2.073 0 40 FEAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)NC[C@@H]1CCCO1 298124733 VZIGBNNQHCILAP-SFHVURJKSA-N 352.434 2.230 0 40 FEAB COCCN1C(=O)CC[C@H]1c1nc(CNC2CCC(F)(F)CC2)no1 1775964014 NTPIMUZAMIFAJD-LBPRGKRZSA-N 358.389 2.047 0 40 FEAB biogenic,in-vitro CCOC(=O)[C@@H](C[C@@H](C(=O)OCC)c1c[nH]c2ccccc12)NC(C)=O 40435245 XELKUJCVXJPLMM-RHSMWYFYSA-N 360.410 2.273 0 40 FEAB Cc1ncccc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615118229 BHQQMXABUPGHOO-NRFANRHFSA-N 365.433 2.428 0 40 FEAB O=C(Nc1ccccc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5090452 ZMRPETKQLWWMGT-UHFFFAOYSA-N 369.446 2.486 0 40 FEAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1 12113141 JVYIIPDPMYNNJG-UHFFFAOYSA-N 360.433 2.098 0 40 FEAB CCCn1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)nc2ccccc21 14108758 WITKWPSPNLBKKG-UHFFFAOYSA-N 364.471 2.056 0 40 FEAB CCOc1ccc(NC(=O)Cn2nc(-c3ccncc3)n(N)c2=S)cc1 16778121 HXDGHNRFJBFJEH-UHFFFAOYSA-N 370.438 2.227 0 40 FEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 17856306 KMPXDUOEOYUBOW-OAHLLOKOSA-N 357.454 2.149 0 40 FEAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)n1 19290931 JVLQAYQJKCKAHE-GFCCVEGCSA-N 369.450 2.252 0 40 FEAB CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 22351240 ZCXWSEVLXKGMQB-UHFFFAOYSA-N 366.414 2.166 0 40 FEAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 22382892 XZZVEIUECPBCPH-QMMMGPOBSA-N 374.340 2.206 0 40 FEAB Cc1ccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)nc1 6107277 QPDMQLNCKQQCSO-UHFFFAOYSA-N 366.446 2.460 0 40 FEAB CC(C)n1ncc2c(C(=O)NNC(=O)c3ccccn3)cc(C3CC3)nc21 17329072 JUDHYVMJMBVPJX-UHFFFAOYSA-N 364.409 2.359 0 40 FEAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 22086358 NMWDVLGNFBMQGS-OAHLLOKOSA-N 374.485 2.207 0 40 FEAB COc1nn(C)cc1C(=O)NCCn1nc(C)c(-c2ccccc2)c1C 238821889 CVNCCKQXBUGRMP-UHFFFAOYSA-N 353.426 2.339 0 40 FEAB COc1ccc(F)c(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037983920 LAHGPXHICISGEJ-IBGZPJMESA-N 350.434 2.294 0 40 FEAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@H]21 2055746130 PIEYOLYOKSXAOH-MSOLQXFVSA-N 365.905 2.207 0 40 FEAB CN1c2cc(F)c(NC(=O)NCc3cccs3)cc2N(C)S1(=O)=O 575613292 RHSPNJGEUMYHIB-UHFFFAOYSA-N 370.431 2.340 0 40 FEAB COc1ccccc1C1(C(=O)NC[C@H]2CCCN2c2ncccn2)CC1 618257473 XJPJEVNDFDAHQO-OAHLLOKOSA-N 352.438 2.302 0 40 FEAB Cn1ccc2c(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298194801 NLTSDMGMQXDVGM-ZDUSSCGKSA-N 363.412 2.442 0 40 FEAB O=C(NCc1cccnc1-n1cccn1)c1cncc(Br)c1 24642905 MWUBCYYQXPWXQG-UHFFFAOYSA-N 358.199 2.355 0 40 FEAB COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1)C2 50022211 HKVMAXVZEFSZHV-OFQRWUPVSA-N 361.438 2.294 0 40 FEAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116793 GFGSLTMWAKTQHJ-MRXNPFEDSA-N 371.359 2.387 0 40 FEAB CCN(Cc1ccccc1)C(=O)[C@@H]1CS[C@]2(C)CSCC(=O)N12 40146499 GWXIDWHMQNNDTB-WMLDXEAASA-N 350.509 2.442 0 40 FEAB CC(=O)Nc1ccc(N2C(=O)C[C@H](NCc3ccc(F)cc3)C2=O)cc1 100619755 DEMMFMMFDZDBPS-KRWDZBQOSA-N 355.369 2.206 0 40 FEAB CC(C)(C)OC(=O)N1CCCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 40448184 DCPAFRWBQXXQRV-UHFFFAOYSA-N 368.455 2.017 0 40 FEAB Cc1ccsc1CN(C)CCC(=O)N1CCN(c2ncccn2)CC1 32804010 UBWKSQKHFGUXRB-UHFFFAOYSA-N 359.499 2.017 0 40 FEAB O=S(=O)(NCc1cccnc1-n1cncn1)c1ccc2ccccc2c1 32925441 CSMHUQMGJACFCQ-UHFFFAOYSA-N 365.418 2.294 0 40 FEAB CC(C)(C)OC(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 21984957 QMHODGIAXJQWCY-UHFFFAOYSA-N 373.453 2.225 0 40 FEAB CCCNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325308 USOZXAKVTGUAMZ-NSHDSACASA-N 353.469 2.111 0 40 FEAB COc1ccccc1OCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 41815169 NDFLJAAUPZGKJJ-LBPRGKRZSA-N 361.423 2.160 0 40 FEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 23143587 BNLWPSNJMCKGPN-KRWDZBQOSA-N 365.499 2.251 0 40 FEAB CC1=C(C(N)=O)[C@@H](c2cccc(OCc3ccccc3)c2)N2NC=NC2=N1 956647 RPNJWSKYYUKNFQ-GOSISDBHSA-N 361.405 2.284 0 40 FEAB C[C@H]1CCc2c(sc3nnn(CC(=O)NCc4cccs4)c(=O)c23)C1 1331926 CSKFEXYRWAXWTJ-JTQLQIEISA-N 374.491 2.356 0 40 FEAB O=C(NCCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 24924782 WBOSLZJNSRLPFV-UHFFFAOYSA-N 350.418 2.350 0 40 FEAB CC(C)CCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408519 CJYWTETVWSXBGI-JKSUJKDBSA-N 370.902 2.200 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 3330089 REQJETHXNHBNSY-UHFFFAOYSA-N 360.435 2.457 0 40 FEAB C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1)c1ccccc1 4321019 ZEDRFKZDHHSZGL-RHSMWYFYSA-N 369.421 2.034 0 40 FEAB Cc1nc([C@H]2COCCN2C(=O)COc2cccc3c2OC(C)(C)C3)no1 96000922 CWVZBQSLQNYYRZ-CQSZACIVSA-N 373.409 2.070 0 40 FEAB Cc1c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 2103772 BMXGCWDTEDSBSJ-INIZCTEOSA-N 361.394 2.273 0 40 FEAB biogenic COc1ccccc1CNC(=O)c1nn(-c2ccc(C)cc2)nc1CO 21172687 QQHIKTWYOGEPCF-UHFFFAOYSA-N 352.394 2.007 0 40 FEAB COC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 106758507 CVIZBEIWRBAUQG-YHYXMXQVSA-N 357.771 2.264 0 40 FEAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc2ccccc12 2646346 YMVBNLNJCKMEFM-INIZCTEOSA-N 369.446 2.499 0 40 FEAB Cc1nc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2nc1C 46714206 KMJVDXPMGPCHGO-UHFFFAOYSA-N 359.393 2.152 0 40 FEAB O=C(NC[C@@H]1CCCO1)c1ccc(Cn2cc(Br)cn2)o1 27980892 OBHLTQPJOUNICG-NSHDSACASA-N 354.204 2.196 0 40 FEAB C[C@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@@H](C)O1 3317703 OVGHWSFVKQYJBX-DTORHVGOSA-N 371.220 2.225 0 40 FEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 12934250 IWHUHWFISYRFIM-QMMMGPOBSA-N 357.375 2.498 0 40 FEAB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H](C(=O)[C@H]3OC[C@@H]2O3)[C@H]2C=Cc3ccccc3N12 3999324 BHNLYGBJMNKDTM-LBAXQKCOSA-N 353.418 2.442 0 40 FEAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(F)F 4159234 XCYWIAFMVIWBEV-ZDUSSCGKSA-N 356.325 2.106 0 40 FEAB C[C@H]1CN(C(C)(C)CNC(=O)COCCOc2ccccc2)C[C@H](C)O1 49624093 GCHRXUOBZDKYJC-IRXDYDNUSA-N 364.486 2.086 0 40 FEAB CCOc1c(Br)cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc1OC 62714720 HCDIHXCRPYKVQE-VUHVRTRXSA-N 372.215 2.459 0 40 FEAB O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NO[C@H]2C(=O)N1Cc1ccccc1 6669373 LXVOVZPCGWFZAJ-PKOBYXMFSA-N 360.369 2.402 0 40 FEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1Cl 9455092 KEEUXKZPOZIWCI-UHFFFAOYSA-N 357.797 2.050 0 40 FEAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)[nH]n1 6908842 NJFYQMZQFQEROC-UHFFFAOYSA-N 357.443 2.038 0 40 FEAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1OC 4966150 YNOJHFHIKHNHAY-MRXNPFEDSA-N 370.453 2.069 0 40 FEAB C[C@]1(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1(Cl)Cl 67281195 BUIOTDVRWCVNOB-OAHLLOKOSA-N 356.253 2.386 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O 15842653 WKJWVEIUVHEOFF-GFCCVEGCSA-N 350.440 2.062 0 40 FEAB CCCN1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 7528771 SDPYBYHICSZNBX-UHFFFAOYSA-N 352.774 2.202 0 40 FEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1 15987055 DTIORDMLBBICJJ-LLVKDONJSA-N 358.464 2.472 0 40 FEAB CCn1cc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1=O 68626543 ZWBJMEGFWWCEPT-KRWDZBQOSA-N 368.437 2.353 0 40 FEAB O=C1COc2ccc(C(=O)CSc3nnnn3C3CCCC3)cc2N1 8075195 ISPDUCQMEVAASJ-UHFFFAOYSA-N 359.411 2.094 0 40 FEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 8160840 WMLLXZYMJKUVGY-HNNXBMFYSA-N 357.454 2.253 0 40 FEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccncc2)C(C)C)cc1 17168224 TXLHSEFYODHETP-KRWDZBQOSA-N 361.467 2.009 0 40 FEAB COc1ccc([C@@H]2CCCN2Cc2oc(CO)cc(=O)c2O)c(OC)c1 70666268 LZAZLIVRMAHUHL-HNNXBMFYSA-N 361.394 2.192 0 40 FEAB biogenic CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cn(C)c2ccccc12 9899069 MXMKTJGBFKEZBV-UHFFFAOYSA-N 371.462 2.359 0 40 FEAB CCN1C(=O)/C(=C(\C)NN2CCCC[C@H]2c2cccnc2)C(O)=NC1=S 8744501 NFQWLRAFORTBHM-YEQVNJDRSA-N 373.482 2.491 0 40 FEAB COCCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 9060974 XRHNAKUMQJTHNU-STQMWFEESA-N 360.888 2.061 0 40 FEAB CCOC(=O)C[C@](C)(O)CNC(=O)c1cc(C(C)C)nc2onc(C)c12 97109252 HMOMMNRJBBNXPN-SFHVURJKSA-N 363.414 2.089 0 40 FEAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 72309661 IRVBAQNQTKUQQW-UHFFFAOYSA-N 361.833 2.479 0 40 FEAB FC(F)(F)c1nnc2ccc(NCC3CCC4(CC3)OCCO4)nn12 72310970 QOBRVJLTUIQLQJ-UHFFFAOYSA-N 357.336 2.488 0 40 FEAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 75106146 OLSVYEFAKPDSGB-HOTGVXAUSA-N 361.486 2.126 0 40 FEAB C[S@](=O)c1ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc1F 76094292 YYVVFISJIJHJNI-XMMPIXPASA-N 359.423 2.209 0 40 FEAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 408722159 PQVQWOLDVTVLDO-UHFFFAOYSA-N 372.402 2.343 0 40 FEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CC)cc1Cl 408598154 XLXITERLJXSQSB-WDEREUQCSA-N 362.879 2.320 0 40 FEAB O=C(c1ccc2c(c1)COC2)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306142620 XERDPRIQIBOWHJ-GOSISDBHSA-N 366.417 2.422 0 40 FEAB CCn1c2ccccc2n2c(=O)n(CC(=O)N[C@H]3CCCC[C@@H]3C)nc12 72347029 GHPMUUQHIILPTR-KBPBESRZSA-N 355.442 2.166 0 40 FEAB CCOc1ccc(-c2nc(CC(=O)N3CCNC(=O)[C@@H]3CC)cs2)cc1 78608055 HLXNEXQUTYNROJ-INIZCTEOSA-N 373.478 2.488 0 40 FEAB O=C(CCc1nnc2ccc(NC3CCCCCC3)nn12)N1CCOCC1 32102213 MUFPDAPAAZQTRU-UHFFFAOYSA-N 372.473 2.050 0 40 FEAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C 72345526 CMGKXGROQYPDAP-MRXNPFEDSA-N 370.457 2.358 0 40 FEAB Cc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3nscc32)c1C 49403895 SBTTXAYDNHMRQU-UHFFFAOYSA-N 372.450 2.456 0 40 FEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(Cl)c2F)cc1 43450075 OHJFGHGMRZSKTH-UHFFFAOYSA-N 371.821 2.491 0 40 FEAB Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)OCCCO4)CC2=O)cc1C 75156647 IBVIVRLKIWBESM-QGZVFWFLSA-N 372.465 2.412 0 40 FEAB CCOC(=O)c1ccncc1NC(=O)COc1ccc(OC)c(OC)c1 49131972 BTGWZFUARHINTA-UHFFFAOYSA-N 360.366 2.293 0 40 FEAB in-vitro CC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)Oc2ccccc21 48324901 QGNHXNFHBWWEFS-CWTRNNRKSA-N 368.389 2.407 0 40 FEAB O=C(Nc1ccccc1)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]1O2 96100683 NQAIMSVLFWTVQJ-BPQIPLTHSA-N 372.446 2.103 0 40 FEAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2 96227035 FFJGSHYIYKVMSM-GHTZIAJQSA-N 364.449 2.320 0 40 FEAB CCn1ccnc1CN(Cc1cnc2ncccn12)[C@@H]1CC12CCNCC2 583623216 VJEPRRSSMSZXRP-QGZVFWFLSA-N 365.485 2.090 0 40 FEAB CCOc1ncccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583621193 QNNDZMXLRUYZDZ-WMLDXEAASA-N 357.458 2.027 0 40 FEAB COc1ccc(C2=NC(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)N2)cc1 95483728 ACRGTNTUEASJIR-UHFFFAOYSA-N 359.426 2.341 0 40 FEAB Cc1nocc1C(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224360 NLUGHEBGLBLJKD-IBGZPJMESA-N 354.410 2.033 0 40 FEAB Cn1cc(CN2CC3(C[C@H](CCOCC4CCOCC4)CCO3)C2)cn1 248138126 PMXGGANAQQYISB-QGZVFWFLSA-N 363.502 2.234 0 40 FEAB O=C(NC[C@H]1CCC2(CN(Cc3ccccc3F)C2)OC1)c1ccno1 247464426 CCLMXFWNQHLILU-CQSZACIVSA-N 359.401 2.225 0 40 FEAB Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)ncn1 257312191 UMUMBMPCFCADJR-AWEZNQCLSA-N 366.425 2.187 0 40 FEAB CN(C)c1ncc(CNC(=O)c2ccc(N3CCCCCC3)nc2)n1C 265092288 CWSOGDVVMQZDSK-UHFFFAOYSA-N 356.474 2.192 0 40 FEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)C(C)C 260910314 XXFVJPHPFQPERW-CZUORRHYSA-N 356.488 2.401 0 40 FEAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CC1=O 653196849 BRYCFBHXSJYNAQ-DKXUYOFUSA-N 355.482 2.184 0 40 FEAB C[C@@H](Cc1ccco1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 75358649 XGEPZAKIOYZWTJ-PCBIJLKTSA-N 351.472 2.053 0 40 FEAB CCCc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)on1 1615083133 WKXYPIOUXPHAJD-IBGZPJMESA-N 362.401 2.212 0 40 FEAB CCS(=O)(=O)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145177 MAHZVWRYBCZIKG-ZDUSSCGKSA-N 367.496 2.034 0 40 FEAB COCCN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C 12146078 DJVTVMSNHWSVHV-UHFFFAOYSA-N 369.450 2.330 0 40 FEAB CCCNC(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12242129 YWTXKKPSSZZWDN-UHFFFAOYSA-N 351.834 2.411 0 40 FEAB COc1ccc(NC(=O)c2ccc(CN3CCNC(=O)CC3)cc2)cc1 12686352 SSQHNJFHPHMIEW-UHFFFAOYSA-N 353.422 2.269 0 40 FEAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2c(C)cccc2C)c1 12808885 JHVHJFYTMLRXCA-UHFFFAOYSA-N 367.449 2.487 0 40 FEAB Cc1nc2c(nc(SCC(=O)N3CCCc4ccccc43)n2C)c(=O)[nH]1 19625844 JBNROCKALOHPSF-UHFFFAOYSA-N 369.450 2.037 0 40 FEAB biogenic,in-vitro Cc1cccn2cc(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 19660438 PFLYJAWXCMIOGN-CQSZACIVSA-N 352.369 2.317 0 40 FEAB CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3ccccc3C)n2CC1 19710707 KPDJXUNDBICVGU-GOSISDBHSA-N 353.470 2.328 0 40 FEAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 4564487 HQXULSKHEAPNSO-DHDCSXOGSA-N 373.796 2.394 0 40 FEAB COc1ccccc1-c1ccc(N2CC(N(C)c3ncncc3F)C2)nn1 1888890491 JCQKIIABNGWYHH-UHFFFAOYSA-N 366.400 2.406 0 40 FEAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)c2cncnc2)C3)cc1 2056224623 MNNZOPZZEBRWMC-OAHLLOKOSA-N 356.451 2.297 0 40 FEAB COc1cnc(O[C@@H]2CCN(c3ccc(Br)cn3)C2)nc1 2086966140 LOMLYJSZIDGDAB-LLVKDONJSA-N 351.204 2.300 0 40 FEAB Cc1cc(N2CCC(COc3cc(C4CC4)ncn3)CC2)n2ncnc2n1 1565520870 WKVXEIIBQHCBPT-UHFFFAOYSA-N 365.441 2.396 0 40 FEAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)C13CC(C1)C3)CCC2 1565554683 XHCLIEOVGQRUJK-UHFFFAOYSA-N 364.449 2.346 0 40 FEAB Cc1c(C)n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2[nH]c1=O 4250466 RAKRELVRBHIIRU-UHFFFAOYSA-N 365.365 2.043 0 40 FEAB CCc1ccc(CN2CCC(C(=O)NCCOC)(n3ccnc3)CC2)cc1 2055713427 NSBWGGTUOYBACS-UHFFFAOYSA-N 370.497 2.199 0 40 FEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1S(C)(=O)=O 40040677 XAGYYXJWBARKCW-UHFFFAOYSA-N 359.403 2.080 0 40 FEAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1CN1CCc2ccccc21 50033131 XSOPXKIRXLFLRH-QGZVFWFLSA-N 353.470 2.492 0 40 FEAB C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N1CCOCC1 40158972 FVYCPKVKVGPOMA-LLVKDONJSA-N 367.402 2.127 0 40 FEAB CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O)[C@H]1CCc2ccccc21 40153323 MFDHKWBNXXWPSS-INIZCTEOSA-N 370.430 2.220 0 40 FEAB CC[C@H](C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1)c1ccccc1 30866451 MBCVTWVRHIJVRP-KRWDZBQOSA-N 364.453 2.275 0 40 FEAB O=C(NCCC1=CCCCC1)C1CCN(c2ccc3nncn3n2)CC1 20744676 VENVDIGUOVWMGS-UHFFFAOYSA-N 354.458 2.347 0 40 FEAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 32759727 AFPGYPGMQTVPLH-QGZVFWFLSA-N 357.479 2.335 0 40 FEAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)F)c(Cl)c1 32912517 NQXPSMSDVIMSFK-GMSGAONNSA-N 351.758 2.091 0 40 FEAB COC(=O)C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1 32900549 PSKJFAXEELMTJZ-GFCCVEGCSA-N 374.418 2.467 0 40 FEAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)N1CCNC1=O 22042474 VLEVTJXTLISRAY-NEPJUHHUSA-N 369.421 2.390 0 40 FEAB Nc1nccnc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 54030949 VEUXLCGTPUOBLV-UHFFFAOYSA-N 365.368 2.380 0 40 FEAB O=C(CNC(=O)c1ccoc1)NCCOc1cccc(C(F)(F)F)c1 54031319 IRCMMVJWFRFVGQ-UHFFFAOYSA-N 356.300 2.223 0 40 FEAB CCS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 23113676 DISPQRYLVMGXAK-UHFFFAOYSA-N 361.345 2.334 0 40 FEAB CCCCn1nc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1=O 23297319 PUYFZWIOPMDHKV-UHFFFAOYSA-N 374.393 2.100 0 40 FEAB CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 42663528 QRFWGNDRCDREDI-GOSISDBHSA-N 373.478 2.187 0 40 FEAB CN(CCOc1ccccc1Cl)C(=O)c1cccc(-n2cnnn2)c1 24391010 URCQLFAMMYWYFQ-UHFFFAOYSA-N 357.801 2.467 0 40 FEAB COc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc32)cc1 928691 UDXPGYOSAHKMJK-UHFFFAOYSA-N 367.434 2.352 0 40 FEAB CCCn1c(=O)n(CC(=O)N[C@@H]2CCCc3c2cnn3C)c2ccccc21 24991358 CLMIAUTWBQRYCW-OAHLLOKOSA-N 367.453 2.140 0 40 FEAB CCCn1nnnc1NC(=S)NC(=O)c1cc2ccccc2cc1OC 6462608 YLKAABJTHDGIEI-UHFFFAOYSA-N 370.438 2.372 0 40 FEAB CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1OCC 7343499 HBLDQMDDBLRJEX-UHFFFAOYSA-N 353.444 2.049 0 40 FEAB COc1cccc(OS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 19681009 FBHNIHUVGGFZPH-UHFFFAOYSA-N 351.380 2.430 0 40 FEAB O=C1[C@@H]2CCC3(C[C@H]2C(=O)N1CCc1c[nH]c2ccccc12)OCCO3 100742608 JZFNLGWIUKSTKD-HZPDHXFCSA-N 354.406 2.239 0 40 FEAB biogenic CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 9262216 YJLKUTDADCMHQD-HZPDHXFCSA-N 351.362 2.463 0 40 FEAB CC[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 58203405 KYHNLLIHZKUOJW-LBPRGKRZSA-N 362.451 2.256 0 40 FEAB COc1cc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccn1 58209055 CEJJNMCCWUVPTI-UHFFFAOYSA-N 369.830 2.469 0 40 FEAB C[S@](=O)CCCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 72290456 IGTXENWSPLMAEI-HSZRJFAPSA-N 372.512 2.293 0 40 FEAB COC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 58330271 LHGQTYKBSMWNRV-LRDDRELGSA-N 359.426 2.443 0 40 FEAB COc1ccc(Nc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)cc1 72293059 DYBSULSINJISPZ-UHFFFAOYSA-N 360.439 2.233 0 40 FEAB C[C@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC[C@H]1c1cccs1 36389799 YHOKXMFBWRKOIW-NEPJUHHUSA-N 367.496 2.085 0 40 FEAB CN(Cc1cccnc1)[C@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1 104933511 INRGUUGVXQHJED-QGZVFWFLSA-N 357.433 2.271 0 40 FEAB C[C@@H](C(=O)N(C)CC(=O)N1CCCCC[C@H]1c1cccn1C)n1cccn1 58838463 XPKVGWNVQNYKOS-WMZOPIPTSA-N 371.485 2.385 0 40 FEAB Cc1cccc(OCc2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)o2)c1 11851779 ZKKKYJAVPONFSN-AWEZNQCLSA-N 363.435 2.426 0 40 FEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1 28208528 DGQGTSNWETVVKH-UHFFFAOYSA-N 350.484 2.416 0 40 FEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1Cc2ccccc2O1 29844925 DQIWXURTHVIVDU-NVXWUHKLSA-N 358.463 2.241 0 40 FEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)c2ccccc2)s1 2651184 DASITOZMSOLMFJ-CYBMUJFWSA-N 360.435 2.207 0 40 FEAB CCOc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 32755157 OAFQUQKOOFSEBF-UHFFFAOYSA-N 356.421 2.257 0 40 FEAB Cc1c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)oc2ccc(F)cc12 24680547 XXNQPAKUSZKJPO-CYBMUJFWSA-N 368.430 2.424 0 40 FEAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2Cc2ccc(OC)cc2)CC1 48280030 USZCPEDFWRDADD-SFHVURJKSA-N 374.481 2.114 0 40 FEAB C[C@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@H](C)O1 3317707 OVGHWSFVKQYJBX-IUCAKERBSA-N 371.220 2.225 0 40 FEAB CCn1c(CN2CCOCC2)nnc1SCC(=O)c1ccc(F)cc1 12851180 YRXQZNMJHVIZID-UHFFFAOYSA-N 364.446 2.244 0 40 FEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)c1 66871823 HNZOKGOOMDEFAZ-UHFFFAOYSA-N 373.434 2.368 0 40 FEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594591 ZBMFVECTEIDPKU-HXUWFJFHSA-N 367.380 2.466 0 40 FEAB COc1ccc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC 13074334 IGFINCWRJVZGNG-UHFFFAOYSA-N 361.442 2.348 0 40 FEAB COc1ccc(/C=C2/NC(=O)[C@@H]3Cc4ccccc4CN3C2=O)c(OC)c1 4085034 HNXFGEZELAWBJN-GONKEYIRSA-N 364.401 2.128 0 40 FEAB biogenic CNS(=O)(=O)c1cc(C(=O)NCCc2cccs2)cc(C)c1C 14093025 QBEPGKFFSVSANE-UHFFFAOYSA-N 352.481 2.246 0 40 FEAB O=C(NCCSCc1cccs1)c1cnc2n(c1=O)CCS2 14166481 QLWQQMLKTAFQPC-UHFFFAOYSA-N 353.494 2.074 0 40 FEAB O=C(CSc1nncn1C1CC1)N1CCN(Cc2ccccc2)CC1 14115448 CUZOOARMELBFJF-UHFFFAOYSA-N 357.483 2.050 0 40 FEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 4695435 QBXUXIGUAUMTSL-UHFFFAOYSA-N 354.472 2.059 0 40 FEAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 9314631 WMCHGAUTVXQNKO-JSGCOSHPSA-N 350.440 2.193 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 4723296 LRKORBNHWWLQRQ-UHFFFAOYSA-N 374.462 2.165 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccccc1 6784922 PXGKVDPOERBBSB-CQSZACIVSA-N 353.875 2.494 0 40 FEAB CS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4816443 NILZHAUBEKBWPU-UHFFFAOYSA-N 363.830 2.413 0 40 FEAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)s1 6849375 MSQVFVQWXFJOKY-UHFFFAOYSA-N 366.468 2.192 0 40 FEAB COc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7788308 APHJCDUIPRMDKO-GFCCVEGCSA-N 373.361 2.373 0 40 FEAB CNC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 9874413 ZPANSNXRCAEAIB-GFCCVEGCSA-N 354.410 2.444 0 40 FEAB CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 8011174 ZMIOGWAUZHJFRX-UHFFFAOYSA-N 367.427 2.057 0 40 FEAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCOc1ccccc1 8390867 VVVVLCLCDNEZDV-UHFFFAOYSA-N 360.797 2.261 0 40 FEAB COc1cccc(CN(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 8492532 KFEHDHRFQYHHBG-UHFFFAOYSA-N 371.393 2.204 0 40 FEAB O=C(NC[C@@H](O)c1ccc(O)cc1)C(=O)Nc1cccc2c(O)cccc12 61718356 YVTNCMKAMPZCJP-GOSISDBHSA-N 366.373 2.039 0 40 FEAB Cc1nc(NC(=O)CN2C(=O)[C@H](C)N=C(O)c3ccccc32)sc1C 72325890 XTZZXYUYFIRWOR-JTQLQIEISA-N 358.423 2.438 0 40 FEAB biogenic CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@H]1CCN2CCCC[C@H]12 95351218 UNXAYSLWNXFQQD-QWHCGFSZSA-N 359.396 2.214 0 40 FEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)no1 9953250 GEGIMYYHODZEBQ-LLVKDONJSA-N 357.370 2.493 0 40 FEAB O=C(N1CCCC1)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 306124454 BQCRVWDRLZHXRC-GOSISDBHSA-N 362.474 2.289 0 40 FEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 172913538 SDCIRNNKYJZVOX-VYDXJSESSA-N 364.401 2.005 0 40 FEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409107709 UBXFBWMTUGLPBN-YXYQAXARSA-N 351.380 2.302 0 40 FEAB CC(C)CCc1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)n[nH]1 524730011 RBIPBVZRAHWNJV-VKJFTORMSA-N 358.486 2.471 0 40 FEAB biogenic Cc1ccc(CC(=O)N2CCC[C@@H]2c2nnc3n2CCN(C)C3)cc1C 72373930 FSOHSIKEACFVGA-QGZVFWFLSA-N 353.470 2.247 0 40 FEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1 35311572 SRJOHFXFFPXNBW-CQSZACIVSA-N 353.488 2.188 0 40 FEAB Cc1cccc(CNC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225943155 NFYVFEJYUJITEB-KRWDZBQOSA-N 364.442 2.431 0 40 FEAB O=C(NCc1ccnc(N2CCCC2)n1)Nc1ccc2c(c1)OCCO2 224202000 GLYCWKJECWFNDA-UHFFFAOYSA-N 355.398 2.170 0 40 FEAB O=C(O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CCc4cc(F)ccc43)C2)nn1 572782359 TUTRHIPJWBVLLF-DZGCQCFKSA-N 358.373 2.009 0 40 FEAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1cccc(F)c1 224343830 GOIGENRUEIDUQK-UHFFFAOYSA-N 365.434 2.083 0 40 FEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)Cc1ccccc1 225882356 ADGISAHREWZRIL-UHFFFAOYSA-N 353.469 2.120 0 40 FEAB O=C(c1ccccn1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110444 HONSHPKJMHVQSC-APWZRJJASA-N 357.385 2.316 0 40 FEAB Cc1cc(C)nc(NCCC(=O)NCCc2nc3ccccc3n2C)n1 95477383 NPIIDCLKWNXVHC-UHFFFAOYSA-N 352.442 2.141 0 40 FEAB O=C(N[C@@H]1CCC12CCN(C(=O)c1cccs1)CC2)c1cnccn1 96051529 IKTPMXGDRJVJME-OAHLLOKOSA-N 356.451 2.353 0 40 FEAB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2OCCN(CC3CCCC3)[C@@H]2C1 96248710 QRVNUOJZVHNLQK-APWZRJJASA-N 358.438 2.131 0 40 FEAB O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1O 1592810102 GQMXPBOKBAACQT-NSHDSACASA-N 364.365 2.027 0 40 FEAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(C)=O 96193567 GOBMHKZWMVFTSG-UHFFFAOYSA-N 372.381 2.275 0 40 FEAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccsc1 247468290 DKMDJLVMWUXUCO-MRXNPFEDSA-N 360.483 2.300 0 40 FEAB CNC(=O)C[C@H]1CN(C(=O)c2csc3ccccc23)Cc2ccnn21 247968557 TVDVPLYJWBZKAI-ZDUSSCGKSA-N 354.435 2.431 0 40 FEAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)nc1 257344202 ZWDRWHQXGJFHPK-SFHVURJKSA-N 358.486 2.209 0 40 FEAB Cc1cc(O)nc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1 257240196 HSMWQVIBCMCXJZ-MRXNPFEDSA-N 351.410 2.454 0 40 FEAB O=C(O)CCC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257248089 JCAWPJYMCJTOBU-IFXJQAMLSA-N 362.401 2.045 0 40 FEAB CC(=O)NCC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257204416 AUMLBAMVUBLQAT-RDTXWAMCSA-N 366.845 2.005 0 40 FEAB CCOC1CC(CNC(=O)c2sccc2Cl)(N2CCOCC2)C1 286883271 AJSAPYKIEQGOAZ-UHFFFAOYSA-N 358.891 2.401 0 40 FEAB NC(=O)C[C@]1(O)CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 643745644 OGCHTTHFFYFRKG-OAQYLSRUSA-N 354.450 2.468 0 40 FEAB COc1cc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cc(OC)c1O 585294776 KCRFUOZOMVWHJZ-MBOZVWFJSA-N 373.449 2.039 0 40 FEAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)s1 585103377 VDDAMHHDALMMES-CQSZACIVSA-N 370.540 2.119 0 40 FEAB CO[C@@H]1CCN(C(=O)CCN2CCCC2=O)C[C@H]1Cc1ccc(C)cc1 585276123 JZRNMMSPHCREGO-RTBURBONSA-N 358.482 2.414 0 40 FEAB Cc1cc(C)cc(C(=O)N2CCCn3ncc(C(=O)NC4CC4)c3C2)c1 585110783 GGOPTJRXSZQXEK-UHFFFAOYSA-N 352.438 2.438 0 40 FEAB O=S(=O)(c1cccc2cccnc12)N1CCN(CC(F)(F)F)CC1 172198662 DYJSJNIPPJANNV-UHFFFAOYSA-N 359.373 2.103 0 40 FEAB Cc1nc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)cs1 1775974152 XGNNFLIZVXHDRN-UHFFFAOYSA-N 352.419 2.372 0 40 FEAB Cc1cc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)nc(N)n1 5242040 ZUZUNJHJPBEUQO-CQSZACIVSA-N 355.295 2.372 0 40 FEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2ccc3c(c2)OCO3)on1 12337723 LHNBQMFAYPDYFR-UHFFFAOYSA-N 366.377 2.450 0 40 FEAB O=C(c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2)c1cccs1 13266438 JAHPXDPPWSAGFD-UHFFFAOYSA-N 370.430 2.327 0 40 FEAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15323854 VGHHQCMYZKOTHF-UHFFFAOYSA-N 374.418 2.322 0 40 FEAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 15863944 VPBZAEYAELDKHF-UHFFFAOYSA-N 360.460 2.347 0 40 FEAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15885398 URRIONGHUGYGHP-BETUJISGSA-N 350.440 2.156 0 40 FEAB Cc1ccc(Nc2ncc(C(=O)N[C@@H](C)CN3CCOCC3)c(C)n2)cc1 19714491 ZCWLFGFGSRQIIR-HNNXBMFYSA-N 369.469 2.288 0 40 FEAB COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1789741 FSYMOJMBDAVRQJ-UHFFFAOYSA-N 369.450 2.076 0 40 FEAB COc1ccccc1C(=O)N1CCc2nc([C@H]3CCCN3C)ncc2C1 19588822 OFPJAEZSDYTWCZ-QGZVFWFLSA-N 352.438 2.450 0 40 FEAB CCOC(=O)C1=C(COC(=O)C2CCC2)NC(=O)N[C@H]1c1ccccc1 5507470 MWSJTNAOSIEYDW-INIZCTEOSA-N 358.394 2.201 0 40 FEAB Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C 6024038 UCHIULNILPIIMZ-UHFFFAOYSA-N 360.482 2.108 0 40 FEAB Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6266622 ZJFAOGILRCCIEH-UHFFFAOYSA-N 366.464 2.330 0 40 FEAB O=C([C@H]1COc2ccccc2O1)N1CCCN(C2CCSCC2)CC1 1849414775 URZOOMDNAFUKJM-GOSISDBHSA-N 362.495 2.256 0 40 FEAB CC(C)c1nccc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 853769854 JMYSIBCLIUFFEN-IYBDPMFKSA-N 350.422 2.221 0 40 FEAB CCc1cc2c(N3CCN([C@H](C)C(=O)NC(C)C)CC3)ncnc2s1 2087044665 RUNJGTOSTMIUNJ-CYBMUJFWSA-N 361.515 2.289 0 40 FEAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N)cc1 4855263 YSPXTXLUFROMHI-UHFFFAOYSA-N 369.450 2.322 0 40 FEAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 8864244 KNYVSDNPLKIJFU-HNNXBMFYSA-N 363.508 2.379 0 40 FEAB CCCOc1nn(CCC)cc1C(=O)N1CCC(C(=O)OCC)CC1 9070624 RUQLBQBXRBUMAT-UHFFFAOYSA-N 351.447 2.497 0 40 FEAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cc1 2055732328 BUKCLCCLALVGDD-MRXNPFEDSA-N 355.438 2.103 0 40 FEAB COc1ccc(CCC(=O)N2C[C@@H]3CN(c4cc(C)ncn4)C[C@H]3C2)cc1 1775975377 FTGBNWVLJFILTQ-ROUUACIJSA-N 366.465 2.321 0 40 FEAB C[C@@H](C(=O)Nc1cscc1C(N)=O)n1nc(-c2ccccc2)ccc1=O 618257163 SSDNOQBEKJHFNB-NSHDSACASA-N 368.418 2.270 0 40 FEAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 20807156 XKPQBHXMSIDCFI-MRXNPFEDSA-N 350.459 2.324 0 40 FEAB CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)s1 102336090 ZERQHLIPAQPRIP-VDUILEQBSA-N 350.440 2.485 0 40 FEAB COc1ccc(-c2nc3s/c(=C/c4ccccc4)c(=O)n3n2)cc1OC 33916069 HDKJCWKLECIUJB-MHWRWJLKSA-N 365.414 2.383 0 40 FEAB CN(Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCCCCC2)C1=O 23652642 RLFTYRYUAKOGGM-UHFFFAOYSA-N 373.453 2.492 0 40 FEAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 23819566 VWENOBVPLIZMFV-UHFFFAOYSA-N 370.478 2.211 0 40 FEAB C[C@@H](C(=O)NC1CCCCC1)N(C)C1CCN(CCn2cccn2)CC1 106131002 VMDFICQAILTBRX-KRWDZBQOSA-N 361.534 2.117 0 40 FEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 78952522 CJIJWYKCUNUQPM-QWHCGFSZSA-N 352.394 2.382 0 40 FEAB CCn1c(SCC(=O)NC(=O)NC(C)C)nnc1-c1cccs1 3330977 SQQXFLRIUXQXOQ-UHFFFAOYSA-N 353.473 2.353 0 40 FEAB COCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1 4161455 HUWANKRGAYFZCA-UHFFFAOYSA-N 350.444 2.289 0 40 FEAB CC(=O)c1cccc(N2C(=O)C[C@H](Nc3ccc(C(=O)O)cc3)C2=O)c1 25572206 ODLSGFXLUWGKKS-INIZCTEOSA-N 352.346 2.331 0 40 FEAB CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CCN1C[C@H](C)O 107510241 WPLPWEWYSRKVMJ-SWLSCSKDSA-N 366.437 2.093 0 40 FEAB COc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1Cl 6325674 JYCQNYGMETVXDW-UHFFFAOYSA-N 362.879 2.277 0 40 FEAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)cc1C 6390945 SANIUQCZUXXHAF-UHFFFAOYSA-N 357.435 2.294 0 40 FEAB CCCn1c(/C=C/c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 35325084 CCYHZQMOODOZPY-ZHACJKMWSA-N 363.421 2.267 0 40 FEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 12592831 PYJPXLUCILXDMD-GFCCVEGCSA-N 351.424 2.491 0 40 FEAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1 8254990 FEWWOSXMJXKXPY-UHFFFAOYSA-N 372.402 2.367 0 40 FEAB CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)OCC)c(C)c2c1=O 1778408 NQPNZBBNAWIBCA-JTQLQIEISA-N 352.412 2.457 0 40 FEAB COc1ccc(C[C@@H]2CCCN2CC(=O)Nc2ccccc2C(N)=O)cc1 58167832 HEIBFLSRIYLURG-INIZCTEOSA-N 367.449 2.440 0 40 FEAB Cc1c(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc2c3c(c(=O)oc12)CCC3 2146399 SGVNJFZPBKZUDH-KRWDZBQOSA-N 373.405 2.194 0 40 FEAB biogenic Cc1cc2n(n1)C[C@H](CN[C@H](CN1CCCC1=O)c1ccccc1)CN2 58366710 NOFQHEGZAAUORR-SJLPKXTDSA-N 353.470 2.187 0 40 FEAB Cc1ccccc1CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430319 LJRFDUIDRJIJDZ-UHFFFAOYSA-N 350.422 2.112 0 40 FEAB Cn1nc(Br)c2c(NC[C@H](O)c3ccccc3F)ncnc21 60363098 UZGYLSNQNOJERU-JTQLQIEISA-N 366.194 2.410 0 40 FEAB COc1cc(C(=O)OCC(=O)NC2CCCCC2)cc(OC)c1OC 2624159 CXFOZASXNGFVCF-UHFFFAOYSA-N 351.399 2.318 0 40 FEAB COc1cc(F)c(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1OC 47202397 JIIWODORBUXBBC-UHFFFAOYSA-N 373.333 2.481 0 40 FEAB O=C(NCCc1nnc2n1CCCCC2)c1cnn(-c2ccccc2)c1 48304236 KOWYQLKTSUNGIE-UHFFFAOYSA-N 350.426 2.163 0 40 FEAB Cc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4F)CC3)nc12 5235354 QVZJORDYYVSTHH-UHFFFAOYSA-N 366.396 2.281 0 40 FEAB CONC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 14093825 NFVUAKHVUFHTQB-UHFFFAOYSA-N 367.254 2.072 0 40 FEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccccc2C)c1 4660757 ORWRJNDTPRVXQH-UHFFFAOYSA-N 363.391 2.369 0 40 FEAB CCCNC(=O)C[C@H](C)CC(=O)NCCc1ccc(OC)c(OC)c1 4676930 QHYYAQYESXVHSW-AWEZNQCLSA-N 350.459 2.305 0 40 FEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 4660708 SCOPQECCRFYYCR-UHFFFAOYSA-N 372.402 2.047 0 40 FEAB O=C(COc1ncnc2ccccc12)Nc1ccc(N2CCOCC2)cc1 4882508 GVTATUGZQPMALL-UHFFFAOYSA-N 364.405 2.484 0 40 FEAB O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@@H](O)C2)CC1 80211772 PGHQLYGNRPAHKJ-GFCCVEGCSA-N 356.875 2.237 0 40 FEAB Cc1sc(-n2c(C)ccc2C)c(C(=O)OCc2nc(N)nc(N)n2)c1C 7227362 NTYGNJFUQJIPGZ-UHFFFAOYSA-N 372.454 2.479 0 40 FEAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)C1 7472500 HIAZVPSYOHNIMW-CQSZACIVSA-N 374.466 2.366 0 40 FEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1=O 15842687 HYQYDGWMLFPBNP-CQSZACIVSA-N 372.446 2.271 0 40 FEAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 8343747 NDAIWXAKSLKACX-UXHICEINSA-N 365.477 2.454 0 40 FEAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(=O)n(Cc2ccccc2)n1 8401229 IGVWECIUXWKBON-UHFFFAOYSA-N 363.373 2.315 0 40 FEAB COc1ccc(-n2c(=O)c3c(c4c(N)ncnc42)CC(C)(C)OC3)cc1 8792596 ICSFEWIFYWJXOU-UHFFFAOYSA-N 352.394 2.223 0 40 FEAB biogenic CN1C(=O)c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2C1=O 21596238 MAKQWDZJYXZNIW-UHFFFAOYSA-N 357.366 2.178 0 40 FEAB O=C(CN1CC[C@H](OCc2ccccn2)C1)Nc1ccc2c(c1)OCCO2 89883760 GUJYBCUYEILFJR-KRWDZBQOSA-N 369.421 2.082 0 40 FEAB CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 22509140 GUMFBZXMCUMBAH-UHFFFAOYSA-N 358.438 2.224 0 40 FEAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(N2CCOCC2)ccn1 23732448 NBBXRXRZSORJJO-UHFFFAOYSA-N 355.394 2.332 0 40 FEAB CCN1Cc2c(-c3ccccc3)ncn2C2(CCN(S(C)(=O)=O)CC2)C1 306140231 UNOSCTOGJKTOBM-UHFFFAOYSA-N 374.510 2.136 0 40 FEAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 306136122 PJXSNLNYRDQKJX-PKOBYXMFSA-N 357.450 2.424 0 40 FEAB O=C(N[C@]1(CO)COc2ccccc2C1)[C@@H]1COc2ccc(Cl)cc2C1 529818816 DJHYMXFCFALXKL-MGPUTAFESA-N 373.836 2.374 0 40 FEAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)C3CCOCC3)CC2)C1 72394348 SKVKPNAWHOVLIM-UHFFFAOYSA-N 372.465 2.215 0 40 FEAB CSCC[C@@H](C(=O)N1CCc2nc[nH]c2C1)N1Cc2ccccc2C1=O 1565524678 RTILSQNLIYSVSX-KRWDZBQOSA-N 370.478 2.072 0 40 FEAB Cc1cc(C(=O)Nc2ccc(-c3nnco3)cc2)cc(S(N)(=O)=O)c1C 32933230 VRBOWYBEOFLKQQ-UHFFFAOYSA-N 372.406 2.253 0 40 FEAB Cc1cccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)c1 36071115 AGGJFTGTVFCBOW-SFHVURJKSA-N 356.447 2.125 0 40 FEAB CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1I 72343545 HTUFDDVNHKMNDD-LLVKDONJSA-N 374.226 2.221 0 40 FEAB CN1C(=O)C[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[C@H]1c1ccccc1 79188553 REZBKXLWJJWOSH-DIJFTKHXSA-N 356.466 2.360 0 40 FEAB O=C(NCc1n[nH]cc1Br)[C@H]1CCN(c2ccccc2F)C1 564463112 SUKJMJDLENHRFD-JTQLQIEISA-N 367.222 2.454 0 40 FEAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccccc1Br 77107187 NCQHAGBGPCTNTB-LBPRGKRZSA-N 368.318 2.232 0 40 FEAB CSc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)C 223915328 QVRGLQBJKQTBMD-UHFFFAOYSA-N 358.485 2.024 0 40 FEAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2cc(F)cc(F)c2)n1 224180298 ZFFXJOHMZZEWEF-UHFFFAOYSA-N 363.368 2.222 0 40 FEAB O=C(C1CCC1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145371 TZLFRQWCIXEQOY-QZTJIDSGSA-N 362.495 2.239 0 40 FEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1ccncc1)C2 96230462 HSNHTYGYMGEQJW-HXUWFJFHSA-N 354.429 2.144 0 40 FEAB CC1(C)CN(C(=O)NCc2ccccc2S(N)(=O)=O)[C@H]1c1ccncc1 580819174 HPRFHVMPABQHIW-INIZCTEOSA-N 374.466 2.022 0 40 FEAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247866936 PANGOHGBQNCFEE-CQSZACIVSA-N 355.394 2.400 0 40 FEAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)O)cc1 242701870 WOPXPTNWOGZEJA-INMHGKMJSA-N 365.838 2.370 0 40 FEAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)ncn1 248090985 FNWFGUGFHOZXOI-HNNXBMFYSA-N 354.458 2.035 0 40 FEAB Cc1cccnc1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257330114 XMXKCJMBUXEOHM-UHFFFAOYSA-N 353.470 2.337 0 40 FEAB CCCCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467496 WGBBVRBZOOOCTR-MRXNPFEDSA-N 356.463 2.079 0 40 FEAB CNC(=O)CN1CCC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 257268908 MNTINGBTAFNWCH-CYBMUJFWSA-N 360.487 2.219 0 40 FEAB CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1OC 257263828 LRRAQMRGMUZJAK-APWZRJJASA-N 370.453 2.077 0 40 FEAB CCN1C(=O)CC[C@H](C(=O)Nc2cc(OC)ccc2O)[C@H]1c1ccnn1C 613035210 NJRTZSFYOLIIJU-UGSOOPFHSA-N 372.425 2.073 0 40 FEAB NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3cc4ccccc4o3)CC2)O1 1775957595 CUPDMDQECDQQIW-ZWKOTPCHSA-N 356.422 2.247 0 40 FEAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCc3ccccc3[C@H]2C(=O)O)c1 663148626 TXPDIHJXAYKXJY-IBGZPJMESA-N 366.417 2.244 0 40 FEAB O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@H]2CCCCO2)c1 390829409 YJQHRKBWUVJOGP-QGZVFWFLSA-N 372.425 2.317 0 40 FEAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccccc3C)cc2NC1=O 585281790 RNGLUYCKGJVVLK-OAHLLOKOSA-N 374.418 2.223 0 40 FEAB O=C(NCC[C@@H]1CCOC12CN(Cc1ccccn1)C2)C1CC(F)(F)C1 585103232 SGRNUMMCMZLJIK-OAHLLOKOSA-N 365.424 2.224 0 40 FEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 54864934 ZRMZKIIEHDTKNJ-AUUYWEPGSA-N 354.406 2.269 0 40 FEAB COC(=O)C1(Br)CCC(Br)(C(=O)OC)CC1 2561299 VLXDXFLLOMQLFL-UHFFFAOYSA-N 358.026 2.174 0 40 FEAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(O)cc2)C3)C1 12182661 PJODSEPHYJNNCZ-CQSZACIVSA-N 354.454 2.270 0 40 FEAB O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 12480858 IQVPIVOJCUJWIJ-UHFFFAOYSA-N 362.426 2.409 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12635543 CZIQQKVBXUCIGS-BIZBXSGISA-N 372.465 2.397 0 40 FEAB O=C(c1cccs1)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 13266331 WUZWBCKBDYMNGQ-CYBMUJFWSA-N 354.439 2.349 0 40 FEAB CCc1nn2c(=O)cc(COC(=O)COc3ccc(C)c(C)c3)nc2s1 15734017 VSGDPHFNFBAXGI-UHFFFAOYSA-N 373.434 2.452 0 40 FEAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)c1 19121492 JUGHQKGGYCDNLD-OAHLLOKOSA-N 354.414 2.252 0 40 FEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1F 19214523 XXAURCJPSSOIIH-AWEZNQCLSA-N 361.402 2.098 0 40 FEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2c(C)cc(C)[nH]c2=O)on1 19566669 HTMFEIUCTXUBSQ-UHFFFAOYSA-N 367.409 2.026 0 40 FEAB COc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1C(=O)NC(C)C 19931924 TVXWDPMKHXHTFO-UHFFFAOYSA-N 354.472 2.397 0 40 FEAB CCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935169 IJAQSOSZOSGIMN-UHFFFAOYSA-N 360.863 2.030 0 40 FEAB O=C(Nc1ccccc1N1CCC(O)CC1)[C@@H]1COc2ccc(O)cc2O1 630787580 HXVPFKIRCNIJJM-IBGZPJMESA-N 370.405 2.132 0 40 FEAB COc1cc(N2CCN(c3ncccc3Br)CC2=O)ccn1 1888866533 HBIDQGHUXKQHSB-UHFFFAOYSA-N 363.215 2.101 0 40 FEAB c1ccc2nc(N3CCN(c4nccc(N5CCCC5)n4)CC3)cnc2c1 1889186623 ANGBTYCHXHGIDL-UHFFFAOYSA-N 361.453 2.347 0 40 FEAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCCc1ccccc1 15807304 CXHZJZAOTQBSAV-CQSZACIVSA-N 364.401 2.432 0 40 FEAB O=C(COc1ccccc1F)N[C@H](CN1CCOCC1)c1ccccc1 24335939 FIPJPPRCFDNINR-GOSISDBHSA-N 358.413 2.394 0 40 FEAB Cc1csc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)c1 1565554218 UJIAOVRAXXLBJK-IBGZPJMESA-N 370.478 2.015 0 40 FEAB COc1ccc(-n2nnc3c(=O)n(Cc4ccc(F)cc4)cnc32)cc1 4266885 SLKGESIYZCSJJM-UHFFFAOYSA-N 351.341 2.173 0 40 FEAB CCOC(=O)CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 6740208 YOSPONXKDVXMFG-UHFFFAOYSA-N 367.408 2.174 0 40 FEAB CN([C@H]1CCCN(c2ccnc(C(C)(C)C)n2)C1)S(=O)(=O)C1CC1 2086889169 JFGSZTIHSNQQAA-ZDUSSCGKSA-N 352.504 2.167 0 40 FEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccsc1)n1cccn1 575613735 KLGJNLLFICBCED-MRXNPFEDSA-N 372.425 2.106 0 40 FEAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)c1cccc2ccccc12 575620519 RUGKWMAMLUZOIY-UHFFFAOYSA-N 369.446 2.252 0 40 FEAB CN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2C1=O 40074136 ZHBCYWYGWHLCMM-UHFFFAOYSA-N 365.345 2.121 0 40 FEAB COc1ccc([C@@H](CNC(=O)c2ccoc2)N2CCOCC2)cc1OC 40012969 RNKUCRAFDYYXFI-MRXNPFEDSA-N 360.410 2.100 0 40 FEAB Cc1cccc2nc(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)cn12 21040957 AHAWWGYBCWAYEH-CQSZACIVSA-N 355.419 2.291 0 40 FEAB COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCSCC2)n1 632612 JJYCDEBEAQZBED-UHFFFAOYSA-N 352.851 2.159 0 40 FEAB Cc1noc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1 23374064 JBHLLWCDSHLZKE-QGZVFWFLSA-N 365.389 2.463 0 40 FEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccn1 12544069 UGRLTTFLAWMQNM-UHFFFAOYSA-N 368.462 2.438 0 40 FEAB Cc1cccc(N2CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)c1 12543173 VBHIHUXTTXJADQ-UHFFFAOYSA-N 364.449 2.102 0 40 FEAB Cc1ccn2c(=O)nc(SCC(=O)N3CCc4ccccc43)nc2c1 4503771 DSYQGHXWLGRGKW-UHFFFAOYSA-N 352.419 2.079 0 40 FEAB CCOC(=O)[C@H]1[C@H](/C=C/c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4729150 WILIVLNMUBRNBN-HITSFRPDSA-N 374.433 2.398 0 40 FEAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 6650236 IHEGENLIEHFMRT-MDWZMJQESA-N 351.380 2.477 0 40 FEAB OCCCCCCSc1nnc(N2CCOCC2)n1CC(F)(F)F 75105456 ZQPOAJAIBWYMCX-UHFFFAOYSA-N 368.425 2.322 0 40 FEAB CCCNC(=O)c1nn2cc(Br)cnc2c1Br 2071315 QJNJNXCSHLCYJC-UHFFFAOYSA-N 362.025 2.394 0 40 FEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C(F)(F)F 58194615 YWARXHPSMHYCMT-QWRGUYRKSA-N 364.389 2.288 0 40 FEAB C[C@@H]1CN(C(=O)C2CCN(C(=O)CCNc3ccccc3)CC2)C[C@@H](C)O1 58216979 GJTRDBNIBUFJFX-IAGOWNOFSA-N 373.497 2.363 0 40 FEAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2-n2cncn2)cc1Cl 58250487 BPEMADNREXQQNB-UHFFFAOYSA-N 366.834 2.072 0 40 FEAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1F 58306739 SIDKDNFBNXPKRS-UHFFFAOYSA-N 356.401 2.296 0 40 FEAB C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc2c(c1)OCO2 27685329 JNJPUPBTHCNJSL-NSHDSACASA-N 373.434 2.419 0 40 FEAB Cn1cncc1CN1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 108526074 GKWMAJGKZRMYLD-UHFFFAOYSA-N 353.470 2.220 0 40 FEAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100427893 CZIQQKVBXUCIGS-ZGPJWRFFSA-N 372.465 2.397 0 40 FEAB COc1ccc(-c2nc([C@H]3CN(C(=O)C(C)(C)OC)CCO3)no2)cc1 96000890 JMBMMSITNAHOEX-CQSZACIVSA-N 361.398 2.070 0 40 FEAB CSCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12614664 UJJKVHWONNNGTL-UHFFFAOYSA-N 354.497 2.401 0 40 FEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 48251367 KPJMONPPXWCGOB-FMKPAKJESA-N 368.499 2.123 0 40 FEAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 12791883 CUJXTBYBDJOZBE-AWEZNQCLSA-N 370.280 2.272 0 40 FEAB COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 12753017 YRHHAOGWTAKKGO-UHFFFAOYSA-N 374.462 2.473 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1 12735391 AIPBQCPCUVRLCW-UHFFFAOYSA-N 353.327 2.111 0 40 FEAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(C(N)=O)CC1 12819447 ALQRJMUBUUNRSM-UHFFFAOYSA-N 374.466 2.316 0 40 FEAB COc1ccccc1CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12800199 NAEFQFADTVRNCE-UHFFFAOYSA-N 352.390 2.274 0 40 FEAB CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 3418525 ISSXGIKQMVEUTA-UHFFFAOYSA-N 354.394 2.451 0 40 FEAB CCc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2C)s1 62689282 CDIXHNLEKXAGSZ-MRXNPFEDSA-N 364.492 2.481 0 40 FEAB Cc1c(C)n(CCO)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 9340810 OJOGJSUFGVYWCA-UHFFFAOYSA-N 350.426 2.421 0 40 FEAB Cc1cc(NC(=O)[C@@H]2Cc3cc(Br)ccc3C(=O)O2)no1 5244154 FDTNKQGFHNUHRE-NSHDSACASA-N 351.156 2.466 0 40 FEAB Cc1nc(C)c(CCC(=O)N[C@@H]2CCCOc3ccc(F)cc32)c(=O)[nH]1 65419098 ZRYVALURVHIDIE-MRXNPFEDSA-N 359.401 2.489 0 40 FEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 14183991 RRQKDFYRGAXFPV-NSHDSACASA-N 350.412 2.364 0 40 FEAB Cc1ccc(O[C@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 6560787 DQWCUASUEKKZLF-LLVKDONJSA-N 362.407 2.105 0 40 FEAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cn1 4661468 DRGKSVIJWFLODH-UHFFFAOYSA-N 355.213 2.257 0 40 FEAB CCCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 5578821 UAJIHVXDBBNKOQ-UHFFFAOYSA-N 370.453 2.100 0 40 FEAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1 408561164 RBHJEMKZPYEPNA-AWEZNQCLSA-N 369.446 2.218 0 40 FEAB C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)N1CCNC1=O 7299699 JPHQBTRZJMXBOF-CQSZACIVSA-N 368.389 2.363 0 40 FEAB O=C1C[C@@H](Nc2ccccc2N2CCOCC2)C(=O)N1c1ccc(F)cc1 8194251 YCZLEOMVXMVVIX-QGZVFWFLSA-N 369.396 2.406 0 40 FEAB COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2)cc1OC 8394829 DNPKWRAXPOIGKZ-UMVBOHGHSA-N 373.457 2.298 0 40 FEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2C)c1 9721706 RIWSIDBJKGDJCS-UHFFFAOYSA-N 364.471 2.220 0 40 FEAB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1 8748615 NMPUFXJLOXSQFN-UHFFFAOYSA-N 362.407 2.423 0 40 FEAB Cc1csc(=O)n1CCCC(=O)Nc1ccccc1N1CCOCC1 8728263 YTZUVMXDKSIUSQ-UHFFFAOYSA-N 361.467 2.474 0 40 FEAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1 8882188 QUACCDAQBLADGU-UHFFFAOYSA-N 373.416 2.358 0 40 FEAB CCOC(=O)[C@](C)(O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C 95942032 GUFMIULVJGPHEH-HXUWFJFHSA-N 358.438 2.197 0 40 FEAB O=C(NCCCc1ccccc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059974 SLVNRXLXXDROGU-INIZCTEOSA-N 364.453 2.318 0 40 FEAB COc1ccc(CN[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 89478810 NJQSDFAVLLPDMK-CYBMUJFWSA-N 372.421 2.227 0 40 FEAB O=C(NCc1cccs1)N1CCCc2cnc(N3CCOCC3)nc21 675008100 AEAMYKPLFAWTNA-UHFFFAOYSA-N 359.455 2.037 0 40 FEAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 27469176 HLXHNZGEQVOIIW-AWEZNQCLSA-N 368.499 2.405 0 40 FEAB Cc1c(NC(=O)N2CCOCC3(CC3)C2)nnn1Cc1ccccc1F 549028941 BCUSWGQZXUQLEF-UHFFFAOYSA-N 359.405 2.418 0 40 FEAB CC1(C)[C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCCO[C@H]21 525530471 MUHOPPNDOMEFPI-GDIGMMSISA-N 358.438 2.270 0 40 FEAB Cc1ccccc1-c1cnc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1 536021242 DDWCWPMIDOIJFB-UHFFFAOYSA-N 351.410 2.232 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217547885 VQFHBQHQEKTPJV-UHFFFAOYSA-N 358.460 2.299 0 40 FEAB C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)Nc2cnn(C)c2)C1=O 556516228 FYAXHWFLYCADHM-BLLLJJGKSA-N 359.405 2.433 0 40 FEAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218617019 XTWMIXZNVMMWMP-ZIFCJYIRSA-N 359.447 2.279 0 40 FEAB CN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)C3CCCCC3)n2)CC1=O 72352040 CGLRRNLDDYPAFW-OAHLLOKOSA-N 373.501 2.027 0 40 FEAB CC1(C)[C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCO[C@H]21 525530473 MUHOPPNDOMEFPI-NIKGAXFTSA-N 358.438 2.270 0 40 FEAB Cc1cc(N2CCCC2)nc(C2CCN(C(=O)c3cnccn3)CC2)n1 72337141 CIRQHFHBUOTDGG-UHFFFAOYSA-N 352.442 2.195 0 40 FEAB COC[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218538932 GDGCIHOTFGMORB-SOLBZPMBSA-N 364.394 2.483 0 40 FEAB O=S(=O)(NCc1n[nH]cc1Br)[C@@H]1C[C@H]1c1ccccc1 563520298 SZWFXQGZQAXKLU-GXFFZTMASA-N 356.245 2.148 0 40 FEAB O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(c2ccccn2)CC1 225722074 NCJZTIXQJNJNMC-MRXNPFEDSA-N 370.478 2.323 0 40 FEAB O=C(CSc1n[nH]c2nc(=O)ccn12)Nc1ccccc1C(F)(F)F 223811793 HLCUSMKDSSVNIE-UHFFFAOYSA-N 369.328 2.167 0 40 FEAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCOCC2)nc1 40033875 HTWUPRXCTNIUOV-UHFFFAOYSA-N 359.401 2.208 0 40 FEAB COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(Cc2cccs2)CC1 82096780 JWJZSJXIOABZTG-INIZCTEOSA-N 365.499 2.403 0 40 FEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223566603 ZZENTZKJTQIXBD-ZWKOTPCHSA-N 365.462 2.232 0 40 FEAB CCn1cnnc1[C@H]1CCCN(c2cc(C(C)(C)C)nc(C(=O)O)n2)C1 576706497 OBUKSBNRCQATJP-LBPRGKRZSA-N 358.446 2.468 0 40 FEAB CN1C[C@H](COCC2CC2)[C@H]2CCN(Cc3ccncc3)CC[C@H]2C1=O 96041110 IQRZJWPGGWIKLN-VAMGGRTRSA-N 357.498 2.425 0 40 FEAB CC(C)(C)OC(=O)N[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 95079644 CZOYVOWDRVLKDN-LBPRGKRZSA-N 365.455 2.125 0 40 FEAB O=C(Cc1ccsc1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96207272 JCUAKLWFFSARKV-CRAIPNDOSA-N 358.467 2.343 0 40 FEAB C[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2[nH]1 96118540 VVYRXUIWNKICKB-ZDUSSCGKSA-N 362.393 2.400 0 40 FEAB COC(=O)C[C@H](c1c(O)nc2ccc(Br)cn2c1=O)C(C)C 96232449 NQISRQDSTURICL-JTQLQIEISA-N 369.215 2.465 0 40 FEAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@@H](Nc1ccccn1)CO2 96221313 VMQVOYGYTLGNBY-QGZVFWFLSA-N 352.438 2.281 0 40 FEAB CS(=O)(=O)C[C@H]1CCN(C(=O)c2cnccc2Oc2ccccc2)C1 582258983 SBNSLMKLVYEQDS-AWEZNQCLSA-N 360.435 2.381 0 40 FEAB CCOCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248323278 XOIFHGZGMWBMCE-ATUDVECKSA-N 372.465 2.484 0 40 FEAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)ccnc12 257271956 NALVQKBNZZRHOT-CYBMUJFWSA-N 357.458 2.183 0 40 FEAB Cn1cc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c2ccccc21 257330875 XQJPPSATVPTGOX-CYBMUJFWSA-N 358.467 2.294 0 40 FEAB NC[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516195 QMKUWWLTFYZCKQ-BBWFWOEESA-N 369.845 2.356 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257318992 VQFXDSTZLSZCCS-OAHLLOKOSA-N 357.458 2.382 0 40 FEAB COc1cccc2c1OC1(CCN(CC(=O)N(C)C)CC1)[C@H]1CCCO[C@H]21 257238921 HNDFDKJPWCZBPP-QFBILLFUSA-N 374.481 2.478 0 40 FEAB C[C@H](C(=O)NCc1noc(C(F)(F)F)n1)n1ccc(C(F)(F)F)n1 632786558 JZQPBUBIPKZLLN-RXMQYKEDSA-N 357.214 2.181 0 40 FEAB COc1c(Br)ccc(F)c1CN[C@H](Cc1cc[nH]n1)C(=O)O 1777250268 NCVRMHOBPJUHTO-GFCCVEGCSA-N 372.194 2.105 0 40 FEAB Cc1nn(C)c(C)c1CN(CCO)C(=O)c1ccc(CN2CCCC2)cc1 97495439 ATDFWCXAQIMDBJ-UHFFFAOYSA-N 370.497 2.267 0 40 FEAB COc1ccccc1OCC(=O)N1CCC(S(=O)(=O)CC(C)C)CC1 96374360 CCJBPGJKNRKXAG-UHFFFAOYSA-N 369.483 2.136 0 40 FEAB Cc1cc(S(=O)(=O)NCc2ccc(-c3cnn(C)c3)nc2)ccc1F 575616936 QXGBNUDOEBCPRM-UHFFFAOYSA-N 360.414 2.408 0 40 FEAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CCC[C@H]1CO)C2 585104891 VYWDQLDEUASYMJ-OALUTQOASA-N 358.482 2.155 0 40 FEAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(Cl)cc3)C2)OC1 585104775 MFZIDJGPYOAGLI-HNNXBMFYSA-N 372.918 2.260 0 40 FEAB Cc1nnsc1C(=O)N1CCC[C@]12CCCN(c1cnccn1)CC2 585099958 BCOSLDSVKXPSMO-KRWDZBQOSA-N 358.471 2.302 0 40 FEAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(Cc1ccoc1)C2 585110910 YLYBEYNKWCWLKR-OAHLLOKOSA-N 356.451 2.490 0 40 FEAB CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OCc2ccccn2)c1 56201279 ZQYFGDXKQPPWDI-KBPBESRZSA-N 356.426 2.155 0 40 FEAB CCCCN1CCOCCOCCN(CCCC)CCOCCOCC1 5419645 JIPAFQKJUAQJEK-UHFFFAOYSA-N 374.566 2.271 0 40 FEAB Cc1ccc(-c2nnn(C3CCN(C(=O)c4snnc4C)CC3)n2)cc1 12143209 VPTAHEWPSKWBCO-UHFFFAOYSA-N 369.454 2.286 0 40 FEAB CCc1cc(C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)on1 12365772 UTHCWEMFRUOPCF-OAHLLOKOSA-N 362.455 2.423 0 40 FEAB CCc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1 12940614 AKBFKSOCOXIHDN-LLVKDONJSA-N 351.428 2.159 0 40 FEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575244 TUVSOPVNKLXTIP-AWEZNQCLSA-N 368.499 2.447 0 40 FEAB O=C(Cn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344330 IYGLRGNEABOHFA-CYBMUJFWSA-N 369.450 2.101 0 40 FEAB CC1CCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19496706 ZQRZZVYWADRKND-QGZVFWFLSA-N 372.513 2.018 0 40 FEAB COCC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19593029 ZQPFFBBRYSEEJW-UHFFFAOYSA-N 365.315 2.073 0 40 FEAB COc1cccc(OC[C@H]2CCCN(CC(=O)Nc3cn(C)nc3C)C2)c1 19658840 ZTHDJCUYLISPIP-INIZCTEOSA-N 372.469 2.467 0 40 FEAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3cnc(C)cn3)c2)C1 19712249 BEULOLQDHBPWFC-FUHWJXTLSA-N 354.410 2.394 0 40 FEAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930241 JSXLTMKSRIDENO-UHFFFAOYSA-N 362.879 2.228 0 40 FEAB CN(CCOc1ccccc1F)C(=O)Cn1cnc2ccccc2c1=O 16112662 CXNXZNKASZCHTQ-UHFFFAOYSA-N 355.369 2.073 0 40 FEAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1 3609579 RKRQDIROPOHXSS-UHFFFAOYSA-N 352.387 2.094 0 40 FEAB COc1cc(OC)cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 10720925 LWFQICUXUCWEHJ-UHFFFAOYSA-N 359.407 2.274 0 40 FEAB Cc1nc(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)ncc1C(N)=O 2037838298 BKHZPVBNKADZPW-AWEZNQCLSA-N 368.437 2.057 0 40 FEAB Cc1cc(N2CC[C@@H]3CN(C(=O)c4cc(C)nn4C)C[C@@H]3CC2)ccn1 2056224548 LYSSJPVYSIBKHS-CALCHBBNSA-N 353.470 2.421 0 40 FEAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1ccc(OC)cc1OC 1565555539 JUDKUSGPTXGRAH-HNNXBMFYSA-N 371.437 2.209 0 40 FEAB COCCO[C@@H]1CCN(C(=O)c2cc(OC)no2)[C@H]1Cc1ccccc1 1565556402 GRMGQXBXEXVEIU-JKSUJKDBSA-N 360.410 2.172 0 40 FEAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)c3ccco3)CC2)c1 2055750844 DMTCSKBCLSRJPW-UHFFFAOYSA-N 371.437 2.463 0 40 FEAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCCOC(C)(C)C)nc1 225728097 GVXWZTCJVSBFIR-AWEZNQCLSA-N 350.415 2.053 0 40 FEAB O=C(N1CCC(Cn2cnccc2=O)CC1)C1(c2ccc(F)cc2)CC1 585636999 CFWJLECJDMIKSS-UHFFFAOYSA-N 355.413 2.353 0 40 FEAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 32819609 PPJINYDHWBZRLE-QGZVFWFLSA-N 358.463 2.094 0 40 FEAB COc1cc(C(=O)N[C@H](C)c2ccncc2)cc(Cl)c1OCC(N)=O 40033599 PDCKGEVJXNZFRP-SNVBAGLBSA-N 363.801 2.099 0 40 FEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 40118614 SDSVGDBOXWQEDO-GFCCVEGCSA-N 356.220 2.195 0 40 FEAB COc1c2c(cc3c1[C@H](CC(=O)CCn1cccn1)N(C)CC3)OCO2 20111919 FQUNUXZWGCFXRJ-HNNXBMFYSA-N 357.410 2.199 0 40 FEAB biogenic CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)CC1 32698461 SNBUZZAWYOIRHF-UHFFFAOYSA-N 374.441 2.321 0 40 FEAB COc1cc(C)c(S(=O)(=O)N(C)CCc2ccccn2)cc1OC 32804236 ZWBHIWCOOGUPAR-UHFFFAOYSA-N 350.440 2.270 0 40 FEAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccsc1)CC(=O)N2 33271407 HWEQVTBLJRYVQM-GFCCVEGCSA-N 365.422 2.462 0 40 FEAB COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 781213 CXXGBNLPIWXBLA-UHFFFAOYSA-N 357.362 2.091 0 40 FEAB CCc1ccc(-c2nnn(CC(=O)OCC(=O)c3ccccc3)n2)cc1 896400 PEXUTRRQNYUSGJ-UHFFFAOYSA-N 350.378 2.329 0 40 FEAB COCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 2337589 HSUNZQQOJWFOPN-UHFFFAOYSA-N 358.398 2.006 0 40 FEAB O=C(Nc1nccs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 2654869 NVJAWQBHBQTEPV-CYBMUJFWSA-N 351.453 2.325 0 40 FEAB COc1ccc(CNC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 3474187 VCDGBQWSESPZFP-UHFFFAOYSA-N 359.378 2.186 0 40 FEAB CC(=O)[C@@H]1[C@@H](c2ccccc2OC(F)F)NC(=O)N[C@]1(O)C(F)(F)F 4035162 DSGBODYJDMNJDK-GIPNMCIBSA-N 368.258 2.098 0 40 FEAB COc1ccc(N2C[C@H](NC(=O)Nc3cccnc3)CC2=O)cc1OC 4272712 ABGLVTGEOYAUKF-CYBMUJFWSA-N 356.382 2.026 0 40 FEAB COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N 4537313 NNHVLEYSENUEQD-UHFFFAOYSA-N 361.452 2.460 0 40 FEAB CC[C@H](C(=O)Nc1c(C)cccc1C)n1nnc(C(=O)OC)c1C(=O)OC 4969631 HWRBVLXJLUMDPH-GFCCVEGCSA-N 374.397 2.058 0 40 FEAB Cc1cccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 5000181 DZLJOVGMDGRJHG-RTBURBONSA-N 367.449 2.321 0 40 FEAB C/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 6157514 ULUAOLRNLRLISP-FOWTUZBSSA-N 353.353 2.472 0 40 FEAB COC(=O)c1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 6406076 OODJQQZWZGKBIN-SFHVURJKSA-N 355.390 2.169 0 40 FEAB Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N(C)C 6602881 BAVXNLXBNGILEJ-UHFFFAOYSA-N 367.515 2.448 0 40 FEAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(-n4cnnn4)c3)c2O1 6880795 UQOJSNTVBFRYHN-UHFFFAOYSA-N 365.393 2.393 0 40 FEAB CC(=O)c1cc2c(cc1NC(=O)c1nn(C)c(=O)c3ccccc13)OCO2 6886885 HRGKHBUBAXHZSI-UHFFFAOYSA-N 365.345 2.117 0 40 FEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CCCC1 6984077 KUQVCJDNCISMMD-OAHLLOKOSA-N 353.488 2.008 0 40 FEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccncc2)C(C)C)c1 9221412 LICLSLYYLKCXII-SFHVURJKSA-N 371.437 2.170 0 40 FEAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(C2CCCC2)C1=O)c1cccs1 9576106 JNTDKFCKORBTMN-ZDUSSCGKSA-N 361.345 2.435 0 40 FEAB C=C1c2ccccc2C(=O)N1CC(=O)NCCc1ccc2c(c1)OCCO2 11238820 BEZVOTFUAZLXDJ-UHFFFAOYSA-N 364.401 2.243 0 40 FEAB CCc1nc2ccccc2c2nn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)n12 12276689 YEVPXHHMDVPZJX-ZIAGYGMSSA-N 367.453 2.111 0 40 FEAB O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCCCc1ccco1 12415302 SGHUIIIHCAERIP-UHFFFAOYSA-N 361.423 2.131 0 40 FEAB CN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(S(N)(=O)=O)cc1 12749405 KQSNNJMMIUTUTJ-UHFFFAOYSA-N 368.405 2.203 0 40 FEAB CC(=O)Nc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 12792568 CFRWAWPEQKUTOT-FQEVSTJZSA-N 367.449 2.448 0 40 FEAB COC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 13000199 FRJATOWEQGKGCL-CQSZACIVSA-N 368.433 2.370 0 40 FEAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13679760 OFQISHUPRNHKPS-OAHLLOKOSA-N 366.826 2.042 0 40 FEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2nc(-c3ccccc3)no2)c1=O 14152724 JEJADMYGFIKWRC-UHFFFAOYSA-N 364.283 2.064 0 40 FEAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cccc(S(C)(=O)=O)c1 14197639 LEUNIZOHWPGERP-UHFFFAOYSA-N 356.407 2.232 0 40 FEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1OC 14230557 UJQROIYZABMXLK-UHFFFAOYSA-N 373.434 2.368 0 40 FEAB CCOC(=O)c1[nH]c(C)c(C(=O)COc2cccc(-n3cnnn3)c2)c1C 14342158 FLMWAANJUDVGDL-UHFFFAOYSA-N 369.381 2.046 0 40 FEAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 14607425 GGORKDMWGUOYJH-DOTOQJQBSA-N 358.438 2.210 0 40 FEAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(Br)cc1 16098039 OFZTUPVRBRGBIU-UHFFFAOYSA-N 369.240 2.373 0 40 FEAB CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 19445985 SGHTVXWIEUDLII-ROUUACIJSA-N 362.522 2.109 0 40 FEAB Cc1c(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)no2)cnn1C 19554150 STEYMYCXXWFMRE-SNVBAGLBSA-N 367.365 2.355 0 40 FEAB CCCN(CC1CC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 22099131 SQLAJRNNHGWMPV-UHFFFAOYSA-N 354.834 2.475 0 40 FEAB CN1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)CC1 23731719 MYTACBMHFANNAD-UHFFFAOYSA-N 357.483 2.011 0 40 FEAB O=C(Cn1cnc2sccc2c1=O)OCc1nc(-c2ccccc2)no1 25075419 RKCODECTABWYNK-UHFFFAOYSA-N 368.374 2.251 0 40 FEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cnc2ccccc2n1 25608559 QFEDLWGBOMARJX-UHFFFAOYSA-N 355.423 2.171 0 40 FEAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCNC(=O)C3)c(C)c12 28630500 JAGRINKPXCRPMI-UHFFFAOYSA-N 356.407 2.140 0 40 FEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1F 28913034 CIQJTBFPMUWPTO-BEFAXECRSA-N 356.353 2.089 0 40 FEAB Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(N3CCCC3)nc21 32073518 KFVCDICETPBQMW-UHFFFAOYSA-N 363.469 2.290 0 40 FEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccccc1O 32719880 RCGVKEQMRGTKRM-INIZCTEOSA-N 366.414 2.473 0 40 FEAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)nn1 32952539 IJRWLPKNGYJRGS-UHFFFAOYSA-N 359.329 2.438 0 40 FEAB COc1ccccc1N1C[C@@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 32960790 MFSGERBPRMOOKZ-INIZCTEOSA-N 373.497 2.429 0 40 FEAB O=C(NCCc1c[nH]c2ccccc12)c1nnn2c1nc(O)c1ccccc12 33435955 QMWIJIGEIDBNBU-UHFFFAOYSA-N 372.388 2.437 0 40 FEAB Cc1cccc(N2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)c1C 36329863 RYUSVSCFMRIMIZ-UHFFFAOYSA-N 372.494 2.225 0 40 FEAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccco3)C2=O)cc1 36593543 YWQNTNNNLBRWTO-OAHLLOKOSA-N 357.366 2.332 0 40 FEAB CCOC(=O)N1CCN(C(=O)c2ccc(Cn3ccnc3C)cc2)CC1 38836417 WBWBDHDZHVHLIX-UHFFFAOYSA-N 356.426 2.154 0 40 FEAB CC(C)[C@@H](C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 40120464 JKTFXPCNNSOSRE-QGZVFWFLSA-N 359.514 2.361 0 40 FEAB COc1ccccc1C(=O)NCCNC(=O)c1nc2ccccc2s1 40268362 BOTQRVXBKXXXQI-UHFFFAOYSA-N 355.419 2.465 0 40 FEAB COCCN(CC(=O)N(C)C)C(=O)COc1cc(C)ccc1C(C)C 41576136 RMYMVJZDNQMJAB-UHFFFAOYSA-N 350.459 2.060 0 40 FEAB CN(Cc1ccco1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 43998256 ODMQBPZUWSERRS-HOTGVXAUSA-N 362.426 2.220 0 40 FEAB O=C1CC[C@@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CN1 48106576 STVFHYALTWJEQR-LJQANCHMSA-N 363.461 2.392 0 40 FEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(-n2cccn2)c(F)c1 54211116 DCATUZYQBFKNFI-UHFFFAOYSA-N 364.336 2.246 0 40 FEAB Cc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1C 57380808 BREHTMGAPFLRNE-QGZVFWFLSA-N 368.433 2.332 0 40 FEAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425715 XWRKLINMKGRDAK-JTQLQIEISA-N 355.485 2.111 0 40 FEAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@H]1Cc1cccc(F)c1 58200982 UEHRPIPUHWUMOU-HNNXBMFYSA-N 367.380 2.203 0 40 FEAB C[C@@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)C(=O)N1CCCCC1 58223251 GXDXQSSPAOBTRI-MRXNPFEDSA-N 373.501 2.272 0 40 FEAB COc1cc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)ccn1 58246553 KCXZOHGPDSVGSD-GOSISDBHSA-N 357.479 2.497 0 40 FEAB O=C(Nc1ccsc1C(=O)NCCN1CCCCC1)c1cnccn1 67335673 ROVDTISJWMZIQJ-UHFFFAOYSA-N 359.455 2.006 0 40 FEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1 71288560 NOTODOMATRSAND-HOTGVXAUSA-N 359.426 2.016 0 40 FEAB CCCN(Cc1ccccc1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 72303981 KQFZCWXEFSTCRR-UHFFFAOYSA-N 364.471 2.372 0 40 FEAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NC(C)C)C1=O 72343106 NJZDWZFHMLGVKX-HNAYVOBHSA-N 372.421 2.390 0 40 FEAB CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn3cc(C)cnc23)CC1 72354294 RETGEKCGCZZZHD-SFHVURJKSA-N 369.469 2.291 0 40 FEAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358773 AHCHOEQSBDQLNH-ZDUSSCGKSA-N 364.446 2.269 0 40 FEAB COCCC(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 72362411 MAXBNXPNTZZRBQ-OAHLLOKOSA-N 370.457 2.370 0 40 FEAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCCC[C@H]2C2OCCO2)cc1 84383641 XJGBBGVDCNCPEA-QKIXSCASSA-N 370.449 2.346 0 40 FEAB CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 89598372 MWIUZYNPNAJXDB-BZNIZROVSA-N 363.483 2.287 0 40 FEAB O=C(c1cccc[n+]1[O-])N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 95435830 KHHBVSDLFDCERC-UKRRQHHQSA-N 352.312 2.287 0 40 FEAB Cn1cnnc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 95943478 QEYHGLJECBETOQ-UHFFFAOYSA-N 351.345 2.183 0 40 FEAB CCOC(=O)c1csc(=O)n1Cc1cn(-c2ccc(Cl)cc2)nn1 95945728 SWCJSKUSLCGNGH-UHFFFAOYSA-N 364.814 2.369 0 40 FEAB Cc1nnsc1C(=O)N1CCC(CNC(=O)/C=C/c2ccoc2)CC1 96120394 IILPHKJTLJDJHJ-NSCUHMNNSA-N 360.439 2.121 0 40 FEAB CC(C)NC(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1 96229087 GFNKUUDGQZKTJL-GOSISDBHSA-N 350.438 2.258 0 40 FEAB CCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251438 GUIXTWRTVGIGPX-UWJYYQICSA-N 370.497 2.063 0 40 FEAB COc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C2)cc1OC 98211977 ZLUSCFBSRCCSQB-OAHLLOKOSA-N 359.426 2.313 0 40 FEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1 102590063 TVMZMPNEKFCSHB-WQXBFISLSA-N 356.809 2.332 0 40 FEAB CC(C)(C)c1csc(CCNC(=O)N2CCN(c3cnccn3)CC2)n1 104807563 ICABFSCHKMEMMF-UHFFFAOYSA-N 374.514 2.305 0 40 FEAB Cc1cccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)c1 125864374 ODGHWIBNUWJOBI-UHFFFAOYSA-N 367.478 2.418 0 40 FEAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(=O)NC(C)C 223882732 RRHXQSNBJBNYOU-UHFFFAOYSA-N 366.439 2.247 0 40 FEAB O=C(CCc1ccc2c(c1)OCCO2)NC[C@@H]1COc2ccccc2O1 225278661 ALVCSWLQYUYMDO-OAHLLOKOSA-N 355.390 2.347 0 40 FEAB CN(c1ccc(CC(=O)N2CCOc3ccccc32)cc1)S(C)(=O)=O 225975287 DTAONIFXVJYTFY-UHFFFAOYSA-N 360.435 2.051 0 40 FEAB CCOc1cc2c(cc1CN1C[C@H]3CCCN3C[C@@H]1CCO)O[C@@H](C)C2 248338941 SELGONPKGMFWIJ-IPELMVKDSA-N 360.498 2.440 0 40 FEAB COC1CN(c2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)C1 253471816 FVAOOMMMIVIULT-UHFFFAOYSA-N 350.444 2.100 0 40 FEAB O=C(COc1ccccc1F)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257203471 AQEXOVCJCYCBBK-IJEWVQPXSA-N 356.401 2.344 0 40 FEAB C[C@@]1(NC(=O)c2cncc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1 257231985 GIXOUHUQJSRZIU-GOSISDBHSA-N 362.426 2.119 0 40 FEAB CO[C@@H]1CCC[C@@H](NC(=O)COc2cc(C)nc3c(C)cccc23)[C@H]1O 257256240 KKPUSJAXNQHARL-JXXFODFXSA-N 358.438 2.275 0 40 FEAB Cn1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 306127596 GCZKBJSZAQCUAL-RDJZCZTQSA-N 352.429 2.326 0 40 FEAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1C2CC3CC(C2)CC1C3 524734475 IRBCPEUKTJVSAA-HOUAESTISA-N 367.449 2.068 0 40 FEAB Cn1ccc2ccn(CCNC(=O)c3ccc(Br)o3)c(=O)c21 575414990 WJBYEEFDHZFHNJ-UHFFFAOYSA-N 364.199 2.126 0 40 FEAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575613750 SWOBSRSMJGANIR-AWEZNQCLSA-N 370.800 2.004 0 40 FEAB C[C@]1(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)CC=CCC1 585105220 QQNOTUJUBOLPSJ-TYCQWZJGSA-N 369.465 2.172 0 40 FEAB C[C@H]1[C@@H](C)N(C(=O)c2ccncc2F)CCN1C(=O)c1ccncc1F 620747261 OTZNNHPZRMYYAJ-TXEJJXNPSA-N 360.364 2.130 0 40 FEAB O=C(CS(=O)(=O)C1CCCC1)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 628774984 XZHIVAIPFRAVTF-MRXNPFEDSA-N 365.430 2.112 0 40 FEAB O=C(O)c1cnn(C2CCN(C(=O)[C@@H]3[C@H]4Cc5ccccc5[C@H]43)CC2)c1 630192334 NHYTWWKLGZMUED-RCCFBDPRSA-N 351.406 2.331 0 40 FEAB CCc1ncnc(N2C[C@@H]3CN(c4nccn5nc(C)cc45)C[C@@H]3C2)c1F 1888897351 IPCGEWOWHBDHKB-OKILXGFUSA-N 367.432 2.102 0 40 FEAB Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)o1 2055750756 WKWZGDJAEYCDIZ-OAHLLOKOSA-N 367.409 2.068 0 40 FEAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)CCc2ccc(Cl)cc2)C1 2055772007 QLBXOUSHAUTXRF-IBGZPJMESA-N 374.872 2.233 0 40 FEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C(C)=O)cc1 105649634 PZYFUZKIWURMEQ-XIRDDKMYSA-N 365.451 2.384 0 40 FEAB CNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1178187 XCYAPCDHLXXWSV-UHFFFAOYSA-N 352.843 2.277 0 40 FEAB COc1ccc(Cn2c(S[C@H](C)C(N)=O)nc3ccccc3c2=O)cc1 24503436 CXFKZKROZFXHQS-GFCCVEGCSA-N 369.446 2.419 0 40 FEAB Cc1cccc(OCCN(C)C(=O)c2cc(S(N)(=O)=O)ccc2C)c1 24655506 ZGHMDIQSOMPJBF-UHFFFAOYSA-N 362.451 2.102 0 40 FEAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CCCCC3)CO[C@H]12 4222797 AZJFGTFZOZUWCN-BSDSXHPESA-N 374.437 2.466 0 40 FEAB biogenic,in-vitro Cc1nn2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2nc1O 4251390 ZZYBQYRVGVJGAM-UHFFFAOYSA-N 358.427 2.388 0 40 FEAB COC(=O)c1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1 26287429 UUSBAMQGGAQCIK-UHFFFAOYSA-N 352.394 2.163 0 40 FEAB C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 35269287 STHVVVBJORHLQO-AWEZNQCLSA-N 350.422 2.060 0 40 FEAB COc1ccc(CCNC(=O)CN2CCN(c3ccccc3)CC2)cc1 57363883 ANDGZBBEWHGORS-UHFFFAOYSA-N 353.466 2.176 0 40 FEAB O=C1COc2ccc(C(=O)NCCN3CCCc4ccccc43)cc2N1 58224638 OUAATHKHQKXMQL-UHFFFAOYSA-N 351.406 2.200 0 40 FEAB O=c1n(-c2ccccc2)c(=O)n2n1C1[C@]34CCC[C@@]35C3C4[C@@]14CCC[C@@]34C25 104289661 GPXAUEMRXXBCJL-VFFHSRBMSA-N 359.429 2.497 0 40 FEAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 10518243 MEALLHFYDBWSIM-UHFFFAOYSA-N 370.427 2.067 0 40 FEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 9737359 IJJBLJYEMIEOCP-UHFFFAOYSA-N 351.380 2.291 0 40 FEAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 56154816 ITBZAVDCFGKWKQ-VIFPVBQESA-N 362.361 2.235 0 40 FEAB O=C(NC1CCC(O)CC1)N1CCC(C(=O)N2CCCCCC2)CC1 45547686 HWDHHMXZXPPWQU-UHFFFAOYSA-N 351.491 2.114 0 40 FEAB Cc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)c(C)c1 24388732 HRJDVSBHMRJJRK-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB Cc1noc(C)c1CC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 48290974 WACSTXKHVGMCQN-LBPRGKRZSA-N 350.440 2.457 0 40 FEAB CN(C)C(=O)OCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 96010350 LATFHHCASWNSAC-UHFFFAOYSA-N 367.405 2.180 0 40 FEAB CC[C@@H](C)[C@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)O 12764556 FHSBFVYPKANALJ-KOLCDFICSA-N 360.505 2.314 0 40 FEAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)c1 20153686 QAGDZRJVAFIGLN-UHFFFAOYSA-N 360.391 2.291 0 40 FEAB Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)nnn1-c1ccc(F)cc1 48380475 IQOYSDBBUJJRIP-HNNXBMFYSA-N 357.389 2.341 0 40 FEAB COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1cccs1 48301481 NFHCGYGKUPIGSR-DGCLKSJQSA-N 352.456 2.163 0 40 FEAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 12923948 BJPZXJSHINSQRZ-UHFFFAOYSA-N 362.407 2.324 0 40 FEAB CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 48605533 NLXAZUZWHIHACM-PHIMTYICSA-N 351.834 2.428 0 40 FEAB C[C@H]1CCc2ccccc2N1C(=O)C[S@@](=O)Cc1cccc(C(N)=O)c1 84705466 FKKHSAYWJXOLTB-RMKBEBRYSA-N 370.474 2.402 0 40 FEAB CCOC(=O)c1cnc(SCc2nc(N)c3ccccc3n2)nc1N 9339373 YGNSQSOJDLBTPN-UHFFFAOYSA-N 356.411 2.053 0 40 FEAB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6055445 JMOKLWDIGCALGV-UHFFFAOYSA-N 374.418 2.140 0 40 FEAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1 5263797 CIBRICJPZPEQEW-UHFFFAOYSA-N 360.435 2.149 0 40 FEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 5367485 JTXPUFNOMJOCQT-UHFFFAOYSA-N 370.361 2.227 0 40 FEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)c1 14169531 XBWOBFWWCABYMM-UHFFFAOYSA-N 362.451 2.352 0 40 FEAB CCc1ccc(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 14141078 CLOWLJPGWYSDMQ-UHFFFAOYSA-N 352.438 2.351 0 40 FEAB CONC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 14240150 JFEABPXMUKKMSA-UHFFFAOYSA-N 368.842 2.452 0 40 FEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCCCCC1 4979427 ZNWPLDJWTFPXFG-SFHVURJKSA-N 360.454 2.387 0 40 FEAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(OCC)cc2)n[nH]c1=O 7364835 DIAZFIBPHZGIDH-NSHDSACASA-N 350.444 2.499 0 40 FEAB O=C1CC[C@@H](C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)N1 68212799 QBDNSAUNILTJOF-ZDUSSCGKSA-N 362.227 2.094 0 40 FEAB COC(=O)C1(NC(=O)CN2[C@H](C)COC[C@H]2c2ccccc2)CCCCC1 95452648 DPEHMGDLFJKVSG-AEFFLSMTSA-N 374.481 2.441 0 40 FEAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 8075812 FOVHVJGIMOMDFG-UHFFFAOYSA-N 364.423 2.438 0 40 FEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)C1=O 70016894 WOUZURFMTRYDOC-STXHMFSFSA-N 367.380 2.428 0 40 FEAB CCc1c(C)sc(NC(=O)c2cnccn2)c1C(=O)N1CCOCC1 17074253 AKMCQAODTOKPTE-UHFFFAOYSA-N 360.439 2.134 0 40 FEAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ccoc4C)C[C@@H]23)n1 306137874 RIWKGMRGKDBWJZ-XIRDDKMYSA-N 357.410 2.243 0 40 FEAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 8772177 FTMQSBFKPPCABO-NSHDSACASA-N 359.810 2.091 0 40 FEAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 8883196 WUSUKIYRHWXJGW-UHFFFAOYSA-N 358.394 2.423 0 40 FEAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCN(C)C)nnc3c12 8991725 KYGRPULTFOGLCT-UHFFFAOYSA-N 366.450 2.333 0 40 FEAB CCOC(=O)C[C@@H](c1cccc(OC)c1OC)c1c(O)cc(C)[nH]c1=O 72325415 YFQYWZGIPOJJSI-ZDUSSCGKSA-N 361.394 2.491 0 40 FEAB biogenic CS(=O)(=O)CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 89484269 LICXGWAGAIWSNE-UHFFFAOYSA-N 351.449 2.472 0 40 FEAB Cc1nc(CN2C[C@@H]3CN(Cc4cccs4)C[C@H]3S2(=O)=O)cs1 306126934 FJMSZJQDKVFZES-SWLSCSKDSA-N 369.537 2.159 0 40 FEAB CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708999 NZVUBCYDUZJUNB-AWEZNQCLSA-N 353.422 2.470 0 40 FEAB CC(C)(C)OC(=O)N1CCOC[C@]2(Cc3ncc(Br)n3C2)C1 503852609 IBYNDGWDQJMJKX-OAHLLOKOSA-N 372.263 2.455 0 40 FEAB Cc1nc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)sc1C 79501896 MMWGXCAMCFOPCP-LBPRGKRZSA-N 368.484 2.185 0 40 FEAB Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 72337025 RWGLGZANLQIITL-UHFFFAOYSA-N 358.423 2.460 0 40 FEAB Nn1c(SCCN2CCCC2)nc2sc3c(c2c1=O)CCCC3 36646169 JOMNZWZGNKRXAE-UHFFFAOYSA-N 350.513 2.239 0 40 FEAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC)cc2)cc1 224584172 UORKDEBSKCTYIT-UHFFFAOYSA-N 365.407 2.374 0 40 FEAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906363 SWIUEZPLOPDMIP-OLZOCXBDSA-N 365.503 2.187 0 40 FEAB COc1ccc(OC)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222406698 WGPVHPXICAOIDB-UHFFFAOYSA-N 364.423 2.352 0 40 FEAB O=C(CCCNC(=O)c1ccc(=O)[nH]c1)Nc1cccc2cccnc12 49030662 GAKJNAQQTMWSHE-UHFFFAOYSA-N 350.378 2.072 0 40 FEAB Cc1ccc(-c2ccc3nncn3n2)cc1S(=O)(=O)N1CCCCC1 64983813 PZZATOIDFWFXML-UHFFFAOYSA-N 357.439 2.274 0 40 FEAB COc1ccc([C@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)c(OC)c1 96231857 URNZKUVVWVAIHW-CYBMUJFWSA-N 352.346 2.153 0 40 FEAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(C)cn1)CC2 96209076 QLGJMGRLBUQLNJ-MRXNPFEDSA-N 359.470 2.127 0 40 FEAB CN(C)CCN1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O 96070948 AGTKRIAUXWYRIK-UHFFFAOYSA-N 353.869 2.465 0 40 FEAB COc1ccc2[nH]cc(CCNC(=O)Cn3cc(OC)c(=O)cc3C)c2c1 96116049 RCTYSCXHANGPJW-UHFFFAOYSA-N 369.421 2.014 0 40 FEAB biogenic COc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 96181717 SOJKDVJIMCWBPG-QZTJIDSGSA-N 358.369 2.371 0 40 FEAB Cc1ccc(CN2CC3(C[C@H](CCOCC(=O)N(C)C)CCO3)C2)cc1 247991315 LMPGPDFPMIPPOZ-GOSISDBHSA-N 360.498 2.471 0 40 FEAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(Br)cc1 585138415 OFDUJXVBVCSETE-JSGCOSHPSA-N 364.243 2.425 0 40 FEAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)CCC(=O)O)CCO2)n1 257313293 URSALVZIULLNAM-OAHLLOKOSA-N 359.382 2.118 0 40 FEAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cnc(N(C)C)nc2)n1 257324866 WQNHEDOPUCZKQR-QGZVFWFLSA-N 355.490 2.040 0 40 FEAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257210805 BWGZDPDFFINBHM-AWEZNQCLSA-N 359.430 2.133 0 40 FEAB Cn1cnc(S(=O)(=O)N2CC[C@H](Cc3cccc4cccnc34)C2)c1 257219819 DIGVZOBSWPAASU-CQSZACIVSA-N 356.451 2.222 0 40 FEAB CN(C(=O)c1cncc(Cc2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 257228929 FVXJAGASDOGFSC-MRXNPFEDSA-N 362.426 2.071 0 40 FEAB CNc1cnc(C[C@H]2CCCN(C(=O)c3cccnc3OC)CC2)cn1 257290727 QEBUDBXVNXHIRG-AWEZNQCLSA-N 355.442 2.407 0 40 FEAB Cc1ccc(CN(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 260759533 BPBRFNAZCCRILP-ULQDDVLXSA-N 350.484 2.061 0 40 FEAB C[C@H]1CN(C(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 660852853 JQCAAKVQRLKSEU-HOTGVXAUSA-N 370.497 2.453 0 40 FEAB COc1ccc(C(=O)N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cc1 585276801 JGDINGMDAJHROK-FQEVSTJZSA-N 359.397 2.281 0 40 FEAB CC(=O)N1CCC[C@H](NCCn2nc(C)nc2C)[C@@H]1Cc1ccc(F)cc1 585286134 OAZNVPKHSALCCN-PMACEKPBSA-N 373.476 2.246 0 40 FEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)C2)cc1C(N)=O 824704434 KNKSKVDHNWMHMQ-LLVKDONJSA-N 366.464 2.034 0 40 FEAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)C1 19709524 AJWJFDTXFYYQOS-QGZVFWFLSA-N 371.460 2.201 0 40 FEAB CN1CCN(C(=O)[C@@]23CC=CCN(Cc4ccncc4)[C@@H]2CCC3)CC1 12135532 HBXAZADIOKLNDA-TZIWHRDSSA-N 354.498 2.156 0 40 FEAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)cc1CO 19291372 HKHAUOIDMQHNGH-HTZLVSCSSA-N 371.481 2.041 0 40 FEAB Cn1cc(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)ccc1=O 19748974 FTBNAPDHQJBNEY-SFHVURJKSA-N 367.449 2.200 0 40 FEAB COc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(C)n3)C2)cc(OC)c1OC 12162794 UXHJGRGJZZQYGY-GFCCVEGCSA-N 373.409 2.146 0 40 FEAB CC(C)c1ccccc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 571633913 FUCFKKDWTWWDLP-OAHLLOKOSA-N 355.456 2.216 0 40 FEAB NC(=O)c1ccc(OS(=O)(=O)c2ccc(Br)s2)cc1 16088822 BRGPWQKGBMPUQO-UHFFFAOYSA-N 362.226 2.377 0 40 FEAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N(C)C)nc2)CC1=O 22396039 FZJHMVMJCDXUEQ-AWEZNQCLSA-N 368.437 2.456 0 40 FEAB CCc1noc(CCC(=O)N2CCC[C@](O)(COc3ccccc3)CC2)n1 2037909293 NLMDWHKLQLEVAU-HXUWFJFHSA-N 373.453 2.387 0 40 FEAB CN(C)[C@@H]1CCOC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)C1 1614941198 WSKUJVRMNXTBAK-OAHLLOKOSA-N 368.424 2.445 0 40 FEAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249172 WIYRMJAAUQSRAT-CQSZACIVSA-N 367.453 2.485 0 40 FEAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941632 GJMPZYWRCKDVRT-UHFFFAOYSA-N 368.418 2.467 0 40 FEAB COc1ccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954774 WJXWOFLGSQXMMX-UHFFFAOYSA-N 369.446 2.339 0 40 FEAB COC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1 5255329 WFAGXKPVMUTQHU-UHFFFAOYSA-N 373.434 2.153 0 40 FEAB CC[C@H](C)n1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O 20611941 XWJGEPHQRHMSAS-GTNSWQLSSA-N 368.437 2.272 0 40 FEAB biogenic CCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 20068853 VDAJLYPMVMEOGC-HUUCEWRRSA-N 361.471 2.271 0 40 FEAB COc1ccc(CCNC(=O)CCc2nc(-c3ccccn3)no2)cc1 32651897 RCRYLQKSYYMMSF-UHFFFAOYSA-N 352.394 2.432 0 40 FEAB CSc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 32853826 LYKMPADIGFFPMZ-UHFFFAOYSA-N 355.419 2.441 0 40 FEAB Cc1noc(C)c1CSCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 21604579 DTBVIGWBZDQDRB-LLVKDONJSA-N 371.459 2.081 0 40 FEAB CCOc1ccc(OCCC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1 41941157 YIVPOXVSOVDQIM-HOTGVXAUSA-N 350.459 2.080 0 40 FEAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccoc2)c1 53794809 GWDRHHAGGPVSHO-CYBMUJFWSA-N 357.410 2.310 0 40 FEAB CCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 22987641 JFMQBZVWLQZBCW-UHFFFAOYSA-N 369.506 2.397 0 40 FEAB CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 780375 YTHIERDGJJNFPI-QGZVFWFLSA-N 362.426 2.077 0 40 FEAB CC(C)(C)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 815450 MASHNIGOKCCARS-UHFFFAOYSA-N 353.469 2.389 0 40 FEAB NNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1 850704 UOERJOALJMWVJN-UHFFFAOYSA-N 363.425 2.464 0 40 FEAB COc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4cccs4)NN32)c1 940752 QJCMSJHIMBBVCB-HNNXBMFYSA-N 367.434 2.194 0 40 FEAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCC(=O)O 2117831 JLBDXTHAWXMJRV-LLVKDONJSA-N 359.378 2.030 0 40 FEAB biogenic COCCOC(=O)/C(C#N)=C/c1ccccc1I 3570279 WRZSNWSEPHFGIB-DHZHZOJOSA-N 357.147 2.388 0 40 FEAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C 4064268 DLMATRNKFRTDDR-HNNXBMFYSA-N 373.405 2.427 0 40 FEAB biogenic CCOC(=O)c1c(SCC(=O)Nc2cccc(C)c2)nc(=O)[nH]c1C 4317570 UHEMMRLFXWVJCM-UHFFFAOYSA-N 361.423 2.294 0 40 FEAB CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1 4873656 JXZZTUJQAUBQAG-KRWDZBQOSA-N 374.464 2.145 0 40 FEAB C[C@@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)N1CCc2ccccc21 4884255 QEXNWLNCEQTMJE-CYBMUJFWSA-N 366.373 2.116 0 40 FEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1C 5166105 MBFMOBVIFSBVFQ-UHFFFAOYSA-N 367.361 2.110 0 40 FEAB CO[C@H]1O[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2[C@H](OC(C)=O)[C@H]1NC(C)=O 5495501 SBCLCISXUZOHRT-JIFZMYKYSA-N 361.438 2.378 0 40 FEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(C)s2)ccc1C 6636742 MVAJXHKIVOHMSQ-UHFFFAOYSA-N 368.484 2.438 0 40 FEAB CC1(C)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1=O 7426408 SYQDFZDDFYYTAV-QGZVFWFLSA-N 365.433 2.417 0 40 FEAB COC(=O)c1ccc(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)o1 7474828 CJAKBXLJBNXOCF-GDNBJRDFSA-N 368.349 2.103 0 40 FEAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cn1 8328172 ADGDOXPXHXQAEK-UHFFFAOYSA-N 372.406 2.109 0 40 FEAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 9595730 FHGNOGSUGISTRC-QVKFZJNVSA-N 369.465 2.419 0 40 FEAB Cn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 9695002 UQJFJORHWYXZCC-UHFFFAOYSA-N 365.842 2.472 0 40 FEAB COc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10779732 MEMSZGCJWMVHKT-UHFFFAOYSA-N 368.433 2.495 0 40 FEAB O=C(c1cc(-c2ccccn2)c(N2CCOCC2)s1)N1CCOCC1 12252748 JJYASYGEDRRTGP-UHFFFAOYSA-N 359.451 2.119 0 40 FEAB CN(C)CCN(C)c1nc(N(C)C)nc2c1CCN(Cc1ccccc1)C2 12325500 FMOPPKAPJSVOJP-UHFFFAOYSA-N 368.529 2.099 0 40 FEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(Br)cc1 12772533 INGKGXGZXACRMR-UHFFFAOYSA-N 359.289 2.354 0 40 FEAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl 13027803 FKRZKWSDFCBHEH-VIFPVBQESA-N 368.636 2.340 0 40 FEAB CC(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 13686813 BPLBWGAOPFSXAX-OLZOCXBDSA-N 368.480 2.146 0 40 FEAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1F 13722887 LXBTZGUBHJOZFF-UHFFFAOYSA-N 363.352 2.178 0 40 FEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 14016133 FKUDXUJAKWOJFK-BLVKFPJESA-N 371.368 2.091 0 40 FEAB CN(Cc1cccs1)C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2 14128963 RQOZTVWSMNGJLS-UHFFFAOYSA-N 358.419 2.448 0 40 FEAB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F 14245385 BTOVBYMEKVANHO-UHFFFAOYSA-N 372.443 2.185 0 40 FEAB Cc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3)n2)c(=O)n1C 19131827 QIPDDTJCTSQAJB-UHFFFAOYSA-N 358.785 2.327 0 40 FEAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cc(F)ccc1F)CC2 19293047 HGEPPJMRLJNTNW-UHFFFAOYSA-N 360.408 2.249 0 40 FEAB CCc1n[nH]c(C(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1C 19520960 JTNMNSYYRACZMP-KRWDZBQOSA-N 368.485 2.426 0 40 FEAB CN1C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)CC1=O 19589050 XSALNFKNGGEVPR-HDAAZOAOSA-N 369.509 2.334 0 40 FEAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)ncn2C1CC1)N1CCOCC1 19714280 VNLNKBIGJLMQDI-LJQANCHMSA-N 356.470 2.458 0 40 FEAB COc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)cc1 19897875 JRTPWKSIFIIJKS-FQEVSTJZSA-N 370.449 2.264 0 40 FEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 20017086 NYZGBASWXZPZSX-VIFPVBQESA-N 368.352 2.455 0 40 FEAB O=C(Nc1cccnc1-n1cccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1 23171501 IESIUUCHAKPXCK-CYBMUJFWSA-N 365.368 2.398 0 40 FEAB CN1N=C(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CCC1=O 25146047 DBAYYKYGUYHWPS-IBGZPJMESA-N 361.405 2.377 0 40 FEAB O=c1c2cnn(-c3ccccc3)c2ncn1C[C@@H]1COc2ccccc2O1 32722799 SCEFWGWCFCWFFC-OAHLLOKOSA-N 360.373 2.422 0 40 FEAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 32764736 JOMFYOOEKLKIMP-UHFFFAOYSA-N 368.433 2.231 0 40 FEAB Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cccs2)cc1F 32843610 QOYYPYZELXKREH-UHFFFAOYSA-N 356.444 2.180 0 40 FEAB COc1ccc(CNC(=O)CC2(Cn3cnnn3)CCCCC2)cc1OC 36357208 LNJWKEROAICHBO-UHFFFAOYSA-N 373.457 2.347 0 40 FEAB CCCn1nccc1CNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619406 ODYJPFBBJVSLAY-UHFFFAOYSA-N 361.409 2.328 0 40 FEAB Cc1cc(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)no1 36700518 HLPLFTSDWZDPJP-UHFFFAOYSA-N 355.423 2.464 0 40 FEAB CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H]1C(=O)O 38208832 KFRRDHBQRJQRRO-KGLIPLIRSA-N 364.398 2.375 0 40 FEAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)cc2)Oc2ccccc21 38849316 ZJQWBYRBXAAVEC-MRXNPFEDSA-N 364.398 2.382 0 40 FEAB Cc1nc(CN2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cs1 40059778 GBCJMYTXTGUKOU-UHFFFAOYSA-N 366.437 2.486 0 40 FEAB CC(C)(C)OC(=O)N1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 40158430 OILZSCJHIYPSJU-UHFFFAOYSA-N 365.455 2.125 0 40 FEAB CCC1=C(C(=O)OC)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 45895956 XUJAMPKZULDUKM-GFCCVEGCSA-N 364.203 2.288 0 40 FEAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1/C(O)=N/S(C)(=O)=O 48480604 LOCNUVQEHQPXSX-UHFFFAOYSA-N 363.317 2.164 0 40 FEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCCO2 49705955 USPNOSIFPYVILZ-UHFFFAOYSA-N 351.468 2.483 0 40 FEAB Cc1cc(C)cc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 58162516 XPPKQAFHNGAYNA-UHFFFAOYSA-N 357.439 2.295 0 40 FEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2ccccc2n1C(C)(C)C 58208429 TXCHJNVWEXGDKY-UHFFFAOYSA-N 369.425 2.048 0 40 FEAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 58312406 VGDBJKHDSZKZPO-UHFFFAOYSA-N 358.419 2.315 0 40 FEAB COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1N1CCCC1=O 71798133 FZQLMLSZQZVWKG-ZIAGYGMSSA-N 358.394 2.428 0 40 FEAB CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 72268815 WPVPUTVHCHLJRL-INIZCTEOSA-N 354.516 2.061 0 40 FEAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1C[C@H]2CCCCN2C1 72310040 ZWAXQRIBHKMJIP-VQTJNVASSA-N 357.498 2.009 0 40 FEAB Cc1cc(=O)[nH]c(C)c1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 72312563 JPDAXXFBNTVJGD-UHFFFAOYSA-N 366.320 2.389 0 40 FEAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(C)=O)nn2c1C 72351292 RDTIAJBYNOUFBR-GOSISDBHSA-N 371.485 2.488 0 40 FEAB COC(=O)[C@@]1(F)CCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 74776856 CTYNUMQUCMMNSH-QGZVFWFLSA-N 359.336 2.022 0 40 FEAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CCSC)cc1Cl 75157596 HAQWJILVHZZYFJ-ZDUSSCGKSA-N 353.893 2.131 0 40 FEAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CC[S@](=O)C1 76092155 SLXWLHQSODOIKY-YDGUKXNOSA-N 354.378 2.190 0 40 FEAB CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3CCCO)cc2C1=O 95444549 HJHNCTVAKXZMPR-HNNXBMFYSA-N 358.438 2.460 0 40 FEAB CC(=O)c1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1 96099026 IKMRSOPBMPBTQX-UHFFFAOYSA-N 361.345 2.083 0 40 FEAB O=C(C1CCOCC1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113159 KCUKBBOZKXUMLR-CQSZACIVSA-N 374.359 2.133 0 40 FEAB biogenic,in-vitro O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 96158833 NPEASWSLHDWKLH-UHFFFAOYSA-N 358.467 2.045 0 40 FEAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccc5c(c4)OCO5)CC[C@@H]23)o1 96207631 LUGKRMMVBSXUIN-INMHGKMJSA-N 357.410 2.186 0 40 FEAB O=C(c1cnccn1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 96239620 LUJPJROQNMUKSA-QGZVFWFLSA-N 359.380 2.250 0 40 FEAB NC(=O)c1csc(NC(=O)c2ccc(I)cc2)n1 97577041 YASJXFPKLVMIOT-UHFFFAOYSA-N 373.175 2.099 0 40 FEAB COC(=O)C1=NN=C(C(=O)OC)C(c2ccccc2)=C(c2ccccc2)N1 104184409 MIWKHKMFLBWLRR-UHFFFAOYSA-N 363.373 2.259 0 40 FEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnnn1-c1ccc(O)cc1 108880598 WDANTCDLUUAIHW-TYNCELHUSA-N 361.471 2.401 0 40 FEAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2NS(C)(=O)=O)c1 224000786 URVQDNUJEQJEMD-UHFFFAOYSA-N 362.451 2.484 0 40 FEAB O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O)c1csc2c1CCCC2 225659792 ZAXVJMCAJYSASA-HOJOPBEUSA-N 356.447 2.469 0 40 FEAB CC(C)c1nc(S(=O)(=O)NCCc2ccc([C@@H](C)O)s2)cn1C 225689256 PCGRREMNADDVQS-LLVKDONJSA-N 357.501 2.179 0 40 FEAB CC(=O)Nc1cccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)c1 225878929 IBDHUYATVHSPDW-UHFFFAOYSA-N 368.440 2.034 0 40 FEAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](Oc2cnccn2)CC1 239846355 LCGMNLMHZSRCJD-SHTZXODSSA-N 370.409 2.395 0 40 FEAB COc1ncccc1CN1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 247847985 NPIVXSUPLJGTFE-QGZVFWFLSA-N 369.469 2.150 0 40 FEAB COc1ccccc1CN1Cc2ccnn2[C@@H](CCNC(=O)C2CC2)C1 248130260 JYDMSXDCSCYLHQ-KRWDZBQOSA-N 354.454 2.365 0 40 FEAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2ccc4c(c2)OCO4)C3)nc1 248331471 HGBZAQFTWNLQJZ-HNNXBMFYSA-N 355.394 2.018 0 40 FEAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257212871 CFGRFUYEJOAEMV-QGZVFWFLSA-N 355.394 2.090 0 40 FEAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257227800 FQYKKRVSRGRTDX-AWEZNQCLSA-N 350.426 2.357 0 40 FEAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)[C@H]1O 257252030 JTHAYYVKECBLPS-QWFCFKBJSA-N 367.453 2.073 0 40 FEAB Fc1cccc(OCCc2cc([C@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)c1 257261045 LFMYXNSPLVAAAR-GOSISDBHSA-N 371.416 2.467 0 40 FEAB O=C(Nc1ccc(F)cc1N1CCOCC1)N1CC[C@H](n2cccn2)C1 515792203 SXLGDVLMSBTQMZ-HNNXBMFYSA-N 359.405 2.338 0 40 FEAB Cc1cc(Cn2nnc(C(=O)N[C@@H]3c4ccc(F)cc4O[C@@H]3C)c2C)on1 516796542 KPKDLDUTRAUKCG-DIFFPNOSSA-N 371.372 2.322 0 40 FEAB COc1cccc([C@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc3O2)c1 531749441 HQQURSRKXHAICI-WMLDXEAASA-N 357.362 2.167 0 40 FEAB Cc1nc([C@H]2CCN(C(=O)Nc3cc(-c4cccc(F)c4)on3)C2)n[nH]1 576330708 XHGUGOIIWKFJEN-LBPRGKRZSA-N 356.361 2.929 0 40 FEAB Cn1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 583621370 WZLZEYVVBCBABE-SWLSCSKDSA-N 353.344 2.316 0 40 FEAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](O)C2)C3)c1 585105138 ZEHCNKDCUHXQEF-UXHICEINSA-N 372.509 2.463 0 40 FEAB COc1cccc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 585112414 PHOQPLLUKZDFSY-SFHVURJKSA-N 354.454 2.461 0 40 FEAB CO[C@]1(CCC(=O)NCc2ccc(F)cc2F)CCCN(C(C)=O)C1 585280611 LRVPREAEOJBWKA-SFHVURJKSA-N 354.397 2.389 0 40 FEAB OCCN(Cc1ccncc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585290014 PSNKIERFHCXNOU-XUVXKRRUSA-N 360.429 2.376 0 40 FEAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCOCC2(CC2)C1 644424570 BMCZGHANUFTHBB-OAQYLSRUSA-N 358.482 2.043 0 40 FEAB Cc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)O)C[C@@H]2n2cc(C3CC3)nn2)c1 685942484 UCAWGSJAZQIODA-UXLLHSPISA-N 354.410 2.298 0 40 FEAB CC(C)N1CC2(CN(C(=O)COc3cc(F)ccc3F)C2)c2nccnc21 1565556628 YBIKSELDMVYCNK-UHFFFAOYSA-N 374.391 2.142 0 40 FEAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CCC(O)CC1 1772595911 SBBINKOHGQJRBI-HBFSDRIKSA-N 374.456 2.201 0 40 FEAB Cn1cc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@@H]3C2)c(C(F)F)n1 1888859243 CJRRMWSLOHEFLT-UWVGGRQHSA-N 353.398 2.023 0 40 FEAB